smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)C(=O)OCCNc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001168073418	749317254	/nfs/dbraw/zinc/31/72/54/749317254.db2.gz	IXQHICWIMNSYHX-UHFFFAOYSA-N	-1	0	310.331	0.650	20	30		DCEDRM
C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H]1C	ZINC001088789266	750013896	/nfs/dbraw/zinc/01/38/96/750013896.db2.gz	FAESZOYUNFZYQM-PWSUYJOCSA-N	-1	0	306.366	0.255	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCNc2ccc(C#N)nn2)c1[O-]	ZINC001106283734	751086086	/nfs/dbraw/zinc/08/60/86/751086086.db2.gz	NVSMIDFFCIMSME-MRVPVSSYSA-N	-1	0	315.337	0.706	20	30		DCEDRM
C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001080775718	756343290	/nfs/dbraw/zinc/34/32/90/756343290.db2.gz	XKUNRMRATHSIJY-PSASIEDQSA-N	-1	0	301.306	0.502	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)Nc1ccc(-n2[n-]c(C)cc2=O)nn1	ZINC001170368689	762620058	/nfs/dbraw/zinc/62/00/58/762620058.db2.gz	OTCBYUFWHGGVAH-SECBINFHSA-N	-1	0	302.294	0.456	20	30		DCEDRM
C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[n-]n2c1nccc2=O	ZINC001085860818	759397176	/nfs/dbraw/zinc/39/71/76/759397176.db2.gz	IZZRNXPEUMZZRY-GFCCVEGCSA-N	-1	0	315.377	0.745	20	30		DCEDRM
CS(=O)(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC001122706923	767860565	/nfs/dbraw/zinc/86/05/65/767860565.db2.gz	FZYQEIUDHNBWON-GFCCVEGCSA-N	-1	0	306.343	0.691	20	30		DCEDRM
C#CCCCCC(=O)N1CCC[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC001070637661	761366212	/nfs/dbraw/zinc/36/62/12/761366212.db2.gz	YHIJXWYPEVAZDY-GFCCVEGCSA-N	-1	0	303.366	0.719	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](C)O[C@@]3(CCN(CC#N)C3)C2)c1[O-]	ZINC001071157194	761666403	/nfs/dbraw/zinc/66/64/03/761666403.db2.gz	UKEJPGYBLQLZQZ-ZUZCIYMTSA-N	-1	0	319.365	0.253	20	30		DCEDRM
CC(C)C#CC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1	ZINC001101230012	764022354	/nfs/dbraw/zinc/02/23/54/764022354.db2.gz	RUWWHOADUNKKNT-WBMJQRKESA-N	-1	0	317.393	0.450	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001131945756	764143031	/nfs/dbraw/zinc/14/30/31/764143031.db2.gz	ACGUMUFOLCPQEI-WDEREUQCSA-N	-1	0	309.370	0.182	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCNc2ccc(C#N)cn2)c1[O-]	ZINC001101555061	764152810	/nfs/dbraw/zinc/15/28/10/764152810.db2.gz	CYBJOSJLIBLIIW-UHFFFAOYSA-N	-1	0	300.322	0.875	20	30		DCEDRM
CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1cncc(C#N)n1	ZINC001103045774	764919918	/nfs/dbraw/zinc/91/99/18/764919918.db2.gz	FTWYRPNSPQWIMK-VIFPVBQESA-N	-1	0	315.337	0.706	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)CNc2ccncc2C#N)c1[O-]	ZINC001103948923	765207823	/nfs/dbraw/zinc/20/78/23/765207823.db2.gz	CALVIJBVWXGOGG-SECBINFHSA-N	-1	0	314.349	0.590	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H](C)Nc2nccnc2C#N)c1[O-]	ZINC001115671567	765787130	/nfs/dbraw/zinc/78/71/30/765787130.db2.gz	QRGISIBUDMMABF-MRVPVSSYSA-N	-1	0	315.337	0.658	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCc2nn(C)cc21)C(=O)[O-]	ZINC001119580989	766738030	/nfs/dbraw/zinc/73/80/30/766738030.db2.gz	STUSHTNYGZXGLU-GXFFZTMASA-N	-1	0	307.350	0.612	20	30		DCEDRM
C=CC[C@H](C)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001144027523	766770486	/nfs/dbraw/zinc/77/04/86/766770486.db2.gz	QNOYQQSMZFPKOE-JQWIXIFHSA-N	-1	0	322.365	0.240	20	30		DCEDRM
CN(C)c1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1F	ZINC001120810911	767231677	/nfs/dbraw/zinc/23/16/77/767231677.db2.gz	SHHCNAPNCWSUFS-UHFFFAOYSA-N	-1	0	317.324	0.762	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@H]1CC[C@H]1OC	ZINC001122513616	767820969	/nfs/dbraw/zinc/82/09/69/767820969.db2.gz	XQHSQSGPIHXRGW-NWDGAFQWSA-N	-1	0	318.381	0.692	20	30		DCEDRM
Cn1ccc2cccc(NC(=O)Cn3cc(C#N)c(=O)[n-]c3=O)c21	ZINC001138257619	768407013	/nfs/dbraw/zinc/40/70/13/768407013.db2.gz	QPASKBMIJMTDTG-UHFFFAOYSA-N	-1	0	323.312	0.951	20	30		DCEDRM
COc1cccc(CN2CCOC[C@H]2C#N)c1OCC(=O)[O-]	ZINC001139270157	768464174	/nfs/dbraw/zinc/46/41/74/768464174.db2.gz	VMBNVRZQOOFVSQ-GFCCVEGCSA-N	-1	0	306.318	0.883	20	30		DCEDRM
CCN(CC#N)[C@H](C)CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001156353396	770793245	/nfs/dbraw/zinc/79/32/45/770793245.db2.gz	FSXKZMKNLXEWHZ-SECBINFHSA-N	-1	0	303.322	0.892	20	30		DCEDRM
C[C@H]1C[C@@H]1C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001178565556	770801124	/nfs/dbraw/zinc/80/11/24/770801124.db2.gz	UOAZQFFLYYNAHW-CIUDSAMLSA-N	-1	0	312.328	0.185	20	30		DCEDRM
COCCN1C[C@@H](C(=O)Nc2cc(C#N)c(F)cc2[O-])CC1=O	ZINC001180891656	771191589	/nfs/dbraw/zinc/19/15/89/771191589.db2.gz	LDEMROZRUDZJOL-JTQLQIEISA-N	-1	0	321.308	0.836	20	30		DCEDRM
C#CC(C)(C)C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001182641174	771527753	/nfs/dbraw/zinc/52/77/53/771527753.db2.gz	AGDLWKOXYXYTRG-VIFPVBQESA-N	-1	0	324.339	0.188	20	30		DCEDRM
COc1cc(NC(=N)SCCS(=O)(=O)[O-])ncc1C#N	ZINC001157321895	771586151	/nfs/dbraw/zinc/58/61/51/771586151.db2.gz	HXYALZIPIHYXDQ-UHFFFAOYSA-N	-1	0	316.364	0.930	20	30		DCEDRM
COC(=O)C1(C#N)CCN(c2nccnc2CC(=O)[O-])CC1	ZINC001158689886	771807867	/nfs/dbraw/zinc/80/78/67/771807867.db2.gz	QIKUFJWDLLFPAP-UHFFFAOYSA-N	-1	0	304.306	0.387	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1ncccn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001159645935	771938282	/nfs/dbraw/zinc/93/82/82/771938282.db2.gz	OBWTWZDRDZMKAQ-NOZJJQNGSA-N	-1	0	308.363	0.442	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1cnccn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001159645996	771938312	/nfs/dbraw/zinc/93/83/12/771938312.db2.gz	RBSZYBVGZIMOLV-NOZJJQNGSA-N	-1	0	308.363	0.442	20	30		DCEDRM
C=C1CC=C(F)C=C1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-]	ZINC001185667355	771946140	/nfs/dbraw/zinc/94/61/40/771946140.db2.gz	JVPRHSPPSXZSFA-UHFFFAOYSA-N	-1	0	318.245	0.349	20	30		DCEDRM
C=CCCC(=O)[C@H]1CCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001159779229	771956735	/nfs/dbraw/zinc/95/67/35/771956735.db2.gz	RLRMOQVZRYLZJI-LLVKDONJSA-N	-1	0	322.365	0.996	20	30		DCEDRM
CC(C)C#CC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001187841364	772232014	/nfs/dbraw/zinc/23/20/14/772232014.db2.gz	XNQFWKJVPRHYNH-NWDGAFQWSA-N	-1	0	303.366	0.202	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCSc2nccs2)c(C#N)c1=O	ZINC001162438234	772372198	/nfs/dbraw/zinc/37/21/98/772372198.db2.gz	UTDFJWUSPZFWLQ-UHFFFAOYSA-N	-1	0	323.403	0.996	20	30		DCEDRM
CSc1ncc(C#N)c(NCC[N-]C(=O)C(F)(F)F)n1	ZINC001164237847	772629866	/nfs/dbraw/zinc/62/98/66/772629866.db2.gz	JVRJOLXQOGCIOV-UHFFFAOYSA-N	-1	0	305.285	0.582	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)NCC(=O)CCC(=O)[O-])c1	ZINC001190671006	772653031	/nfs/dbraw/zinc/65/30/31/772653031.db2.gz	PORZVHBXFDIISD-UHFFFAOYSA-N	-1	0	314.294	0.410	20	30		DCEDRM
C#CCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-]	ZINC001191035420	772712447	/nfs/dbraw/zinc/71/24/47/772712447.db2.gz	HMVQRMXACPKTTO-UHFFFAOYSA-N	-1	0	316.766	0.836	20	30		DCEDRM
COc1nc(Br)cnc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193105147	773005691	/nfs/dbraw/zinc/00/56/91/773005691.db2.gz	REODJHAUNNBCAY-RXMQYKEDSA-N	-1	0	321.156	0.901	20	30		DCEDRM
CCOC(=O)c1c([N-]S(=O)(=O)[C@H](C)C#N)nn2cccnc12	ZINC001193105587	773005905	/nfs/dbraw/zinc/00/59/05/773005905.db2.gz	YPYWVDOZHOJWFL-MRVPVSSYSA-N	-1	0	323.334	0.560	20	30		DCEDRM
N#Cc1cc(C(=O)NCCN2CCCS2(=O)=O)ccc1[O-]	ZINC001193518710	773077264	/nfs/dbraw/zinc/07/72/64/773077264.db2.gz	FLOXJPGEFLPDEJ-UHFFFAOYSA-N	-1	0	309.347	0.029	20	30		DCEDRM
COC(=O)c1ncc(=O)[nH]c1NC(=O)c1cccc(C#N)c1[O-]	ZINC001193658149	773099310	/nfs/dbraw/zinc/09/93/10/773099310.db2.gz	VJDWJMYZBZMLSC-UHFFFAOYSA-N	-1	0	314.257	0.798	20	30		DCEDRM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C#CC(C)(C)C	ZINC001206951098	773146525	/nfs/dbraw/zinc/14/65/25/773146525.db2.gz	XHQHSTZBBCERNP-GHMZBOCLSA-N	-1	0	305.382	0.496	20	30		DCEDRM
CC(C)(C)OC(=O)[C@H](CO)NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195765216	773471450	/nfs/dbraw/zinc/47/14/50/773471450.db2.gz	XPBYZNMIYZYVHL-NSHDSACASA-N	-1	0	306.318	0.696	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H](NCC#N)C1	ZINC001211219134	773781884	/nfs/dbraw/zinc/78/18/84/773781884.db2.gz	INSGTESLXJEKGO-VIFPVBQESA-N	-1	0	320.315	0.548	20	30		DCEDRM
N#Cc1c(N)nc(=NC2CC2)n(-c2ccsc2C(=O)[O-])c1N	ZINC001215387623	774067573	/nfs/dbraw/zinc/06/75/73/774067573.db2.gz	WMELAYZZXHYGSM-UHFFFAOYSA-N	-1	0	316.346	0.731	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2cncc(C#N)c2)c1	ZINC001201842279	774564970	/nfs/dbraw/zinc/56/49/70/774564970.db2.gz	SAIJGCPCKXVVGP-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCN(C)c2ccnc(C#N)n2)c1[O-]	ZINC001095513687	775195940	/nfs/dbraw/zinc/19/59/40/775195940.db2.gz	ITRXVGOSSQFCJA-UHFFFAOYSA-N	-1	0	315.337	0.342	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1COC(=O)[C@H](O)CC(=O)[O-]	ZINC001224172650	775543547	/nfs/dbraw/zinc/54/35/47/775543547.db2.gz	WLQOWAOXSYUDRO-LLVKDONJSA-N	-1	0	307.258	0.224	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCOCCOCC	ZINC001225033505	775633104	/nfs/dbraw/zinc/63/31/04/775633104.db2.gz	WZPHKTZQTSSJNU-LBPRGKRZSA-N	-1	0	312.384	0.515	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(C)nc1CO	ZINC001225287872	775662829	/nfs/dbraw/zinc/66/28/29/775662829.db2.gz	VICVECBDEQJYJJ-LLVKDONJSA-N	-1	0	317.363	0.720	20	30		DCEDRM
N#Cc1cc2ccc(OC(=O)[C@H](O)CCC(=O)[O-])cc2oc1=O	ZINC001227378865	775967989	/nfs/dbraw/zinc/96/79/89/775967989.db2.gz	HVBHTDKOMOYATJ-LLVKDONJSA-N	-1	0	317.253	0.796	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccnc(OC)n1	ZINC001228561389	776097155	/nfs/dbraw/zinc/09/71/55/776097155.db2.gz	KINNACZGIMERKF-SECBINFHSA-N	-1	0	304.324	0.323	20	30		DCEDRM
N#CCN1CC[C@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1	ZINC001228602394	776101621	/nfs/dbraw/zinc/10/16/21/776101621.db2.gz	AOMUKYHGMLAGJX-VIFPVBQESA-N	-1	0	305.294	0.944	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cnc2ccnn2c1	ZINC001229902726	776234534	/nfs/dbraw/zinc/23/45/34/776234534.db2.gz	GABKNTODCBUTNL-NSHDSACASA-N	-1	0	313.335	0.567	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])c(C#N)c1	ZINC001600478885	1168189806	/nfs/dbraw/zinc/18/98/06/1168189806.db2.gz	GXHMGNNZSPWXIM-JTQLQIEISA-N	-1	0	300.311	0.958	20	30		DCEDRM
N#Cc1csc(CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n1	ZINC001601132312	1168593114	/nfs/dbraw/zinc/59/31/14/1168593114.db2.gz	QCZGWHWLXMCTPR-APPZFPTMSA-N	-1	0	315.376	0.687	20	30		DCEDRM
C#C[C@H](CO)NC(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1	ZINC001602689323	1169159927	/nfs/dbraw/zinc/15/99/27/1169159927.db2.gz	QVPYCXYLWDGNCG-SCSAIBSYSA-N	-1	0	313.730	0.092	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)s1)C(=O)[O-]	ZINC001602754479	1169179070	/nfs/dbraw/zinc/17/90/70/1169179070.db2.gz	KMLJOMOSBBYBEG-SSDOTTSWSA-N	-1	0	318.376	0.545	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001603154155	1169259808	/nfs/dbraw/zinc/25/98/08/1169259808.db2.gz	YMUASCDWKHXNHR-FJJYHAOUSA-N	-1	0	311.382	0.603	20	30		DCEDRM
C#CCOCCN(C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC001348360042	939229677	/nfs/dbraw/zinc/22/96/77/939229677.db2.gz	CDEQEEPTGYGJLS-UHFFFAOYSA-N	-1	0	311.363	0.175	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@@H](C)CN(C)CC#N)cc1=O	ZINC001268739445	940346685	/nfs/dbraw/zinc/34/66/85/940346685.db2.gz	ZKKYFLWSLQXDCU-LBPRGKRZSA-N	-1	0	307.398	0.335	20	30		DCEDRM
C#CCCCC(=O)N(C)[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001280457408	941818468	/nfs/dbraw/zinc/81/84/68/941818468.db2.gz	SBEMXFQFTAUQHF-JTQLQIEISA-N	-1	0	306.366	0.804	20	30		DCEDRM
COC(=O)[C@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)CC(C)C	ZINC001412869562	942117637	/nfs/dbraw/zinc/11/76/37/942117637.db2.gz	LNEVOPVUZNSCAS-VIFPVBQESA-N	-1	0	308.338	0.192	20	30		DCEDRM
CC(C)[C@@H](CO)[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(C)C	ZINC001412894669	942128340	/nfs/dbraw/zinc/12/83/40/942128340.db2.gz	JWWKNNPKHQDMSX-NEPJUHHUSA-N	-1	0	308.382	0.646	20	30		DCEDRM
C[C@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC[S@](=O)C1	ZINC001412971331	942163769	/nfs/dbraw/zinc/16/37/69/942163769.db2.gz	DBPNLYPOUAFFRO-MGUXCZDKSA-N	-1	0	319.390	0.507	20	30		DCEDRM
CC1=C(C(=O)Nc2nc(C#N)c(C#N)[n-]2)[C@@H](C)n2ncnc2N1C	ZINC001413196871	942554825	/nfs/dbraw/zinc/55/48/25/942554825.db2.gz	TZELHZGAGPPPRP-MRVPVSSYSA-N	-1	0	323.320	0.668	20	30		DCEDRM
C#CCNC(=O)[C@@H]1CC12CCN(C(=O)c1cc(=O)[nH][n-]1)CC2	ZINC001272283100	942661799	/nfs/dbraw/zinc/66/17/99/942661799.db2.gz	OZXPYCNFCPKVFV-JTQLQIEISA-N	-1	0	302.334	0.107	20	30		DCEDRM
N#Cc1cccnc1-n1cc(NC(=O)COCC(=O)[O-])cn1	ZINC001601127900	970938483	/nfs/dbraw/zinc/93/84/83/970938483.db2.gz	XZDICLICPCZUBU-UHFFFAOYSA-N	-1	0	301.262	0.179	20	30		DCEDRM
N#CCOc1ccccc1C(=O)NCc1nc([O-])cc(=O)[nH]1	ZINC001413337200	942903645	/nfs/dbraw/zinc/90/36/45/942903645.db2.gz	CKSSTIVDQNGGMW-UHFFFAOYSA-N	-1	0	300.274	0.720	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC([C@H](F)C(N)=O)CC1	ZINC001413376274	942936253	/nfs/dbraw/zinc/93/62/53/942936253.db2.gz	XMIGDXNGVRJVSX-NSHDSACASA-N	-1	0	320.324	0.643	20	30		DCEDRM
COC[C@@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1nnn[n-]1	ZINC001413553394	943070971	/nfs/dbraw/zinc/07/09/71/943070971.db2.gz	LFQCMHRSCOMTHQ-GXFFZTMASA-N	-1	0	314.349	0.754	20	30		DCEDRM
CN1CCN(N=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC001318636856	945418982	/nfs/dbraw/zinc/41/89/82/945418982.db2.gz	VEEKGIGTECVBBC-UHFFFAOYSA-N	-1	0	322.321	0.640	20	30		DCEDRM
C=CC[C@H](NC(=O)c1ccc(C)c(S(N)(=O)=O)c1)C(=O)[O-]	ZINC001321166581	946197948	/nfs/dbraw/zinc/19/79/48/946197948.db2.gz	GGMBIDWRNSTHQB-JTQLQIEISA-N	-1	0	312.347	0.402	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1ccc(OC)c(-n2cnnn2)c1)C(=O)[O-]	ZINC001321206202	946213948	/nfs/dbraw/zinc/21/39/48/946213948.db2.gz	JQECKLFNNFLDAO-SNVBAGLBSA-N	-1	0	317.305	0.430	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1)C(=O)[O-]	ZINC001321658748	946417688	/nfs/dbraw/zinc/41/76/88/946417688.db2.gz	VSZBLGFGKDRJDL-WDEREUQCSA-N	-1	0	318.395	0.194	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C(CC)CC)N1CCOCC1	ZINC001602679374	971260099	/nfs/dbraw/zinc/26/00/99/971260099.db2.gz	ORRYYIVNJWDWBI-HNNXBMFYSA-N	-1	0	310.394	0.670	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	ZINC001602682319	971267844	/nfs/dbraw/zinc/26/78/44/971267844.db2.gz	MTKVYNFEZNOMMI-NSHDSACASA-N	-1	0	318.304	0.725	20	30		DCEDRM
COC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC001258207828	946808723	/nfs/dbraw/zinc/80/87/23/946808723.db2.gz	BAXIJRMZSFVDPQ-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)NCC[N-]C(=O)C(F)(F)F	ZINC001258299808	946819424	/nfs/dbraw/zinc/81/94/24/946819424.db2.gz	HTOTXAGKDBZSLH-UHFFFAOYSA-N	-1	0	321.280	0.515	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)NCC2	ZINC001602688199	971288770	/nfs/dbraw/zinc/28/87/70/971288770.db2.gz	FXGWRDIGZXYDBT-UHFFFAOYSA-N	-1	0	301.302	0.524	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2scnc2C(N)=O)c1	ZINC001259118245	946915440	/nfs/dbraw/zinc/91/54/40/946915440.db2.gz	IZJKXCGPLAMDMP-UHFFFAOYSA-N	-1	0	308.344	0.914	20	30		DCEDRM
CC(C)CO[N-]C(=O)C(=O)NCc1ccc(OCC#N)cc1	ZINC001323137493	946947512	/nfs/dbraw/zinc/94/75/12/946947512.db2.gz	PNNJUTATAMKSNH-UHFFFAOYSA-N	-1	0	305.334	0.909	20	30		DCEDRM
Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC001259411899	946955456	/nfs/dbraw/zinc/95/54/56/946955456.db2.gz	KSDSEWPXRLDESC-UHFFFAOYSA-N	-1	0	323.309	0.331	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)Nc1sccc1C(N)=O	ZINC001602695257	971306336	/nfs/dbraw/zinc/30/63/36/971306336.db2.gz	AYPUBMLNDAUKCG-MRVPVSSYSA-N	-1	0	309.347	0.194	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(C)C)n1C[C@@H]1CCOC1	ZINC001602699029	971314754	/nfs/dbraw/zinc/31/47/54/971314754.db2.gz	CECNBSCGMLBXHI-LBPRGKRZSA-N	-1	0	306.366	0.962	20	30		DCEDRM
C#CCN(CC(=O)[O-])Cc1nc(-c2ccc3c(c2)OCO3)no1	ZINC001602699086	971314834	/nfs/dbraw/zinc/31/48/34/971314834.db2.gz	IDDSKYCYKLFGKE-UHFFFAOYSA-N	-1	0	315.285	0.985	20	30		DCEDRM
C#CCN(CC(=O)[O-])Cc1cnc2c(C(=O)OCC)cnn2c1	ZINC001602699137	971316001	/nfs/dbraw/zinc/31/60/01/971316001.db2.gz	JORHZVQXBADBSZ-UHFFFAOYSA-N	-1	0	316.317	0.426	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](C)N2CCSCC2)n1C	ZINC001602700712	971320062	/nfs/dbraw/zinc/32/00/62/971320062.db2.gz	FTJOBRRLGGCWIN-NSHDSACASA-N	-1	0	323.422	0.449	20	30		DCEDRM
COC(=O)[C@H](CS)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001260191288	947081322	/nfs/dbraw/zinc/08/13/22/947081322.db2.gz	MOTPYZFUUJUSSO-VIFPVBQESA-N	-1	0	319.360	0.135	20	30		DCEDRM
C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602710241	971350218	/nfs/dbraw/zinc/35/02/18/971350218.db2.gz	RXYZJMSOTVFEQT-RYUDHWBXSA-N	-1	0	322.365	0.853	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602718865	971378238	/nfs/dbraw/zinc/37/82/38/971378238.db2.gz	XBYCGKLSPQXVSI-XWAURUHHSA-N	-1	0	312.366	0.635	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1	ZINC001602723024	971391934	/nfs/dbraw/zinc/39/19/34/971391934.db2.gz	ITQUEBXQYGGJLJ-GFCCVEGCSA-N	-1	0	317.301	0.770	20	30		DCEDRM
C=CCNC(=O)C[N@@H+]1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1	ZINC001602723242	971395622	/nfs/dbraw/zinc/39/56/22/971395622.db2.gz	XFASJIOGBGYCDZ-RYUDHWBXSA-N	-1	0	306.366	0.212	20	30		DCEDRM
C[C@H](O)CNN=Cc1c(Br)cc(C(=O)[O-])n1C	ZINC001324928884	947577544	/nfs/dbraw/zinc/57/75/44/947577544.db2.gz	WCTMNZZRDLUCNC-LURJTMIESA-N	-1	0	304.144	0.790	20	30		DCEDRM
C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001602730017	971405087	/nfs/dbraw/zinc/40/50/87/971405087.db2.gz	PVDLIVWIUZMKSP-GHMZBOCLSA-N	-1	0	319.365	0.369	20	30		DCEDRM
C=CCn1cnnc1Sc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001573351329	947612890	/nfs/dbraw/zinc/61/28/90/947612890.db2.gz	QZWVFWHRWNXZOS-UHFFFAOYSA-N	-1	0	312.322	0.457	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccnn1[C@H]1CCCOC1	ZINC001262719990	947758349	/nfs/dbraw/zinc/75/83/49/947758349.db2.gz	OBHDIVMEHHRAIR-NSHDSACASA-N	-1	0	308.338	0.797	20	30		DCEDRM
Cn1nc2ccccc2c1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001325764447	947917616	/nfs/dbraw/zinc/91/76/16/947917616.db2.gz	RDEPZCXVLCQNNL-UHFFFAOYSA-N	-1	0	306.347	0.937	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001327116860	948400664	/nfs/dbraw/zinc/40/06/64/948400664.db2.gz	YIBFMQATYXZRDK-IAQYHMDHSA-N	-1	0	323.397	0.308	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001327806433	948630990	/nfs/dbraw/zinc/63/09/90/948630990.db2.gz	TYLHEHYUSWYWKB-SECBINFHSA-N	-1	0	321.337	0.259	20	30		DCEDRM
C=CCCn1cc(CN[C@H](Cn2cc(C)cn2)C(=O)[O-])nn1	ZINC001327889183	948654735	/nfs/dbraw/zinc/65/47/35/948654735.db2.gz	OLSABHGEKYNYRA-CYBMUJFWSA-N	-1	0	304.354	0.602	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](CS(C)(=O)=O)C1	ZINC001602778431	971511477	/nfs/dbraw/zinc/51/14/77/971511477.db2.gz	IOEPLZDEJKSYCO-GXFFZTMASA-N	-1	0	316.379	0.274	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1n[nH]cc1C(=O)NC1CC1	ZINC001602782670	971529558	/nfs/dbraw/zinc/52/95/58/971529558.db2.gz	XWEGJODNHHZJDD-ZDUSSCGKSA-N	-1	0	305.294	0.245	20	30		DCEDRM
CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1Cc1n[nH]c(=O)[n-]1	ZINC001264607818	949022722	/nfs/dbraw/zinc/02/27/22/949022722.db2.gz	MWKCQVOFBQWEBE-NWDGAFQWSA-N	-1	0	303.366	0.393	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H](OC)[C@@H](C)CC)n1	ZINC001489076478	949465870	/nfs/dbraw/zinc/46/58/70/949465870.db2.gz	MKQUWOXQNGFPHM-XHDPSFHLSA-N	-1	0	320.393	0.582	20	30		DCEDRM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cccc(C#CCO)c1)C2	ZINC001595278277	949951825	/nfs/dbraw/zinc/95/18/25/949951825.db2.gz	LQLNAAVKXPEZIL-YOEHRIQHSA-N	-1	0	315.325	0.204	20	30		DCEDRM
N#CC1CCC(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)CC1	ZINC001330242076	950223724	/nfs/dbraw/zinc/22/37/24/950223724.db2.gz	RNTHVHVFSARUOH-BPCQOVAHSA-N	-1	0	309.366	0.517	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)[N-]OCc1ccccc1OC	ZINC001330762625	950636056	/nfs/dbraw/zinc/63/60/56/950636056.db2.gz	WRAICGJHBJBFIJ-UHFFFAOYSA-N	-1	0	308.334	0.562	20	30		DCEDRM
CC(C)(C)[S@@](=O)CCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001573876932	950683093	/nfs/dbraw/zinc/68/30/93/950683093.db2.gz	WVQNGTMQENIVPK-QFIPXVFZSA-N	-1	0	320.382	0.487	20	30		DCEDRM
C[C@@H](C[C@@H](O)c1cccs1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365222675	950761775	/nfs/dbraw/zinc/76/17/75/950761775.db2.gz	DCUQGYVQSBQYFR-WCBMZHEXSA-N	-1	0	320.374	0.931	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc3c(c2)OCO3)c(C#N)c1=O	ZINC001365221694	950764021	/nfs/dbraw/zinc/76/40/21/950764021.db2.gz	STCXKKNMZYZGPS-UHFFFAOYSA-N	-1	0	300.274	0.286	20	30		DCEDRM
C[C@@H]1CCC[C@H]1CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365374853	951036764	/nfs/dbraw/zinc/03/67/64/951036764.db2.gz	IHRDSBVKBPVJGB-MNOVXSKESA-N	-1	0	319.365	0.556	20	30		DCEDRM
COCC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-]	ZINC001490791891	951108982	/nfs/dbraw/zinc/10/89/82/951108982.db2.gz	XFZJUKLJLSVPIF-BETUJISGSA-N	-1	0	318.377	0.362	20	30		DCEDRM
C#CCCCC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@H]1C	ZINC001281162396	951340853	/nfs/dbraw/zinc/34/08/53/951340853.db2.gz	AIKJODXDWOJONI-PWSUYJOCSA-N	-1	0	318.377	0.946	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H]2CCCc3occc32)c(=O)[n-]c1=O	ZINC001411601180	952310782	/nfs/dbraw/zinc/31/07/82/952310782.db2.gz	SGBYZSVXEKMDCQ-NSHDSACASA-N	-1	0	314.301	0.607	20	30		DCEDRM
N#CCOc1cccc(CNC(=O)CSc2n[nH]c(=O)[n-]2)c1	ZINC001411787796	952451967	/nfs/dbraw/zinc/45/19/67/952451967.db2.gz	XDZNFEIDMAHIKR-UHFFFAOYSA-N	-1	0	319.346	0.821	20	30		DCEDRM
C[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1cccnc1	ZINC001411794597	952455603	/nfs/dbraw/zinc/45/56/03/952455603.db2.gz	JCWPHTXGCZWVIS-JTQLQIEISA-N	-1	0	313.317	0.483	20	30		DCEDRM
N#C[C@@H](CO)NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC001335284738	952511927	/nfs/dbraw/zinc/51/19/27/952511927.db2.gz	FWZMNGSFAGVLNU-LURJTMIESA-N	-1	0	305.212	0.072	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1	ZINC001411900426	952527895	/nfs/dbraw/zinc/52/78/95/952527895.db2.gz	LBSFBHPOERLDEZ-STQMWFEESA-N	-1	0	317.345	0.987	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CCCC(F)(F)C2)c(=O)[n-]c1=O	ZINC001411908248	952531869	/nfs/dbraw/zinc/53/18/69/952531869.db2.gz	LPGBYDDURVJZNL-SECBINFHSA-N	-1	0	312.276	0.515	20	30		DCEDRM
Cc1cc(C)nc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001411949553	952562640	/nfs/dbraw/zinc/56/26/40/952562640.db2.gz	DCGYLGGQVCPGFP-UHFFFAOYSA-N	-1	0	313.317	0.861	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC001412039193	952613819	/nfs/dbraw/zinc/61/38/19/952613819.db2.gz	CFDDUAOWFQARJQ-SNVBAGLBSA-N	-1	0	303.351	0.638	20	30		DCEDRM
Cc1cccc(O)c1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412372758	952765612	/nfs/dbraw/zinc/76/56/12/952765612.db2.gz	LXPZADMIGCBKDO-UHFFFAOYSA-N	-1	0	314.301	0.265	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCc2ccccc2F)c(=O)[n-]c1=O	ZINC001412370771	952768014	/nfs/dbraw/zinc/76/80/14/952768014.db2.gz	GRFBSUXFQYQJPD-UHFFFAOYSA-N	-1	0	316.292	0.666	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C	ZINC001412579132	952910179	/nfs/dbraw/zinc/91/01/79/952910179.db2.gz	SHDVQJNWOFLYDV-ZJUUUORDSA-N	-1	0	323.374	0.615	20	30		DCEDRM
CC[C@@H]1CO[C@@H](C)CN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412584582	952913421	/nfs/dbraw/zinc/91/34/21/952913421.db2.gz	MPUSMWHDALKFOB-CMPLNLGQSA-N	-1	0	320.349	0.237	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N(C)C[C@H]1CCCCO1	ZINC001339209635	953080738	/nfs/dbraw/zinc/08/07/38/953080738.db2.gz	CEHLVEKFWHMPHY-SNVBAGLBSA-N	-1	0	304.358	0.650	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cccc3c2OCO3)c(=O)[n-]c1=O	ZINC001412818983	953111661	/nfs/dbraw/zinc/11/16/61/953111661.db2.gz	AQXRHTTUZMCMFR-UHFFFAOYSA-N	-1	0	314.257	0.188	20	30		DCEDRM
CCOCCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1	ZINC001341851473	953254310	/nfs/dbraw/zinc/25/43/10/953254310.db2.gz	VDWVOENMAMTEKX-ZDUSSCGKSA-N	-1	0	304.350	0.864	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@@H]1CCSC1	ZINC001342240907	953278292	/nfs/dbraw/zinc/27/82/92/953278292.db2.gz	HYHFRVXKCPNRLX-SECBINFHSA-N	-1	0	306.395	0.630	20	30		DCEDRM
CCC(=O)N1CC[C@@H](C(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC001342557483	953294976	/nfs/dbraw/zinc/29/49/76/953294976.db2.gz	IBDUMSGMSHWYQP-MNOVXSKESA-N	-1	0	302.334	0.570	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(N2CCNC2=O)c1	ZINC001342624270	953298838	/nfs/dbraw/zinc/29/88/38/953298838.db2.gz	RPINDISIGJYITP-CYBMUJFWSA-N	-1	0	312.329	0.817	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCCN(C2CC2)C1=O	ZINC001342975262	953315684	/nfs/dbraw/zinc/31/56/84/953315684.db2.gz	QKRUGNKTXHKFOL-VXGBXAGGSA-N	-1	0	314.345	0.713	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1noc2c1COCC2	ZINC001343412232	953344605	/nfs/dbraw/zinc/34/46/05/953344605.db2.gz	YGPDJAMBUVLHCF-VIFPVBQESA-N	-1	0	307.306	0.222	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)[N-]OC/C=C/Cl)n(CCC#N)n1	ZINC001343534776	953352555	/nfs/dbraw/zinc/35/25/55/953352555.db2.gz	PCRGCLAYYHOXFQ-DUXPYHPUSA-N	-1	0	311.729	0.844	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(CNC(N)=O)cc1	ZINC001344540687	953495480	/nfs/dbraw/zinc/49/54/80/953495480.db2.gz	LEHKLIFJSNFORI-LBPRGKRZSA-N	-1	0	300.318	0.480	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OCC2CC2)nc1	ZINC001346053075	953793481	/nfs/dbraw/zinc/79/34/81/953793481.db2.gz	BLWQYJCYRBOTPI-CYBMUJFWSA-N	-1	0	317.345	0.955	20	30		DCEDRM
C#CCO[N-]C(=O)Cc1sc(CS(C)(=O)=O)nc1C	ZINC001347315824	954069451	/nfs/dbraw/zinc/06/94/51/954069451.db2.gz	BLQNQUPMJATXAK-UHFFFAOYSA-N	-1	0	302.377	0.220	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC001593733345	954329867	/nfs/dbraw/zinc/32/98/67/954329867.db2.gz	XRHYXMPEMXQTLG-UHFFFAOYSA-N	-1	0	321.337	0.381	20	30		DCEDRM
CN(CCCC(=O)[O-])C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC001593744621	954375389	/nfs/dbraw/zinc/37/53/89/954375389.db2.gz	YUSCWEDDDJBNKP-SEYXRHQNSA-N	-1	0	324.337	0.019	20	30		DCEDRM
CN(CCOCc1ccc(C#N)cc1)C(=O)COCC(=O)[O-]	ZINC001593754094	954436533	/nfs/dbraw/zinc/43/65/33/954436533.db2.gz	YHSVBPKTUXJQLT-UHFFFAOYSA-N	-1	0	306.318	0.634	20	30		DCEDRM
C[C@H](CCC#N)c1nnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1C	ZINC001589013336	955401196	/nfs/dbraw/zinc/40/11/96/955401196.db2.gz	VNWAGSASKCPDQS-UEKVPHQBSA-N	-1	0	319.365	0.760	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001589020460	955465601	/nfs/dbraw/zinc/46/56/01/955465601.db2.gz	TWFFQOBUCCNJNS-SNVBAGLBSA-N	-1	0	303.318	0.354	20	30		DCEDRM
COC(=O)[C@@H]1[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C1(F)F	ZINC001593862822	955559917	/nfs/dbraw/zinc/55/99/17/955559917.db2.gz	UZLIEHRAUDYQSH-GEOGLEFRSA-N	-1	0	304.249	0.161	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NCc2ccccc2)c(=O)[n-]c1=O	ZINC001367337430	955658904	/nfs/dbraw/zinc/65/89/04/955658904.db2.gz	SGILXBYWSCDDME-UHFFFAOYSA-N	-1	0	313.317	0.320	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)NCc1cccc(OCC#N)c1	ZINC001594568193	955856754	/nfs/dbraw/zinc/85/67/54/955856754.db2.gz	JJOKPVIRLFXMTE-UHFFFAOYSA-N	-1	0	314.301	0.951	20	30		DCEDRM
C=CCOCC(=O)N[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])C1CC1	ZINC001353088949	955918063	/nfs/dbraw/zinc/91/80/63/955918063.db2.gz	VGOSXFLCXLNKAL-NSHDSACASA-N	-1	0	322.365	0.251	20	30		DCEDRM
C=CCC(C)(C)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001285728748	955941686	/nfs/dbraw/zinc/94/16/86/955941686.db2.gz	BLUDBHMFPXXWBF-QMMMGPOBSA-N	-1	0	323.353	0.120	20	30		DCEDRM
N#Cc1cc(F)cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1	ZINC001594615672	956234476	/nfs/dbraw/zinc/23/44/76/956234476.db2.gz	FCNCVWPPJORZDE-NSHDSACASA-N	-1	0	305.265	0.711	20	30		DCEDRM
N#Cc1ccc(COC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)s1	ZINC001594619627	956271340	/nfs/dbraw/zinc/27/13/40/956271340.db2.gz	LIZVLXDFTUMFLT-NSHDSACASA-N	-1	0	322.342	0.986	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1F	ZINC001594621410	956285338	/nfs/dbraw/zinc/28/53/38/956285338.db2.gz	KZRNCCXPHZKSGK-VIFPVBQESA-N	-1	0	305.265	0.569	20	30		DCEDRM
N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)[O-])CC2)c1	ZINC001594628421	956330963	/nfs/dbraw/zinc/33/09/63/956330963.db2.gz	QVTLXVDWMRHZLL-UHFFFAOYSA-N	-1	0	301.302	0.820	20	30		DCEDRM
N#Cc1cnc(C(=O)NC2(C(=O)[O-])CCOCC2)c(Cl)c1	ZINC001594633488	956359366	/nfs/dbraw/zinc/35/93/66/956359366.db2.gz	SZNILJAYYCACCH-UHFFFAOYSA-N	-1	0	309.709	0.970	20	30		DCEDRM
Cc1cc([C@@H]2CCCN2c2[n-]c(=O)n(C)c(=O)c2C#N)no1	ZINC001413869104	956458697	/nfs/dbraw/zinc/45/86/97/956458697.db2.gz	LJBJWDJWZQQMTM-NSHDSACASA-N	-1	0	301.306	0.583	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)CS[C@H](C)C(=O)[O-])CC1	ZINC001589170108	956470315	/nfs/dbraw/zinc/47/03/15/956470315.db2.gz	ZLXMUNXMTZZWJX-VXGBXAGGSA-N	-1	0	313.423	0.885	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001354842540	956528288	/nfs/dbraw/zinc/52/82/88/956528288.db2.gz	CRZNQJUYEKMRKW-LBPRGKRZSA-N	-1	0	318.377	0.806	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)C2(C#N)CC3(CC3)C2)CCO1	ZINC001593976627	956669492	/nfs/dbraw/zinc/66/94/92/956669492.db2.gz	VRFLBONEROSSKV-OAHLLOKOSA-N	-1	0	308.334	0.399	20	30		DCEDRM
CC(C)(C)SCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001295394589	957693392	/nfs/dbraw/zinc/69/33/92/957693392.db2.gz	VGYSPVRKHHUABA-UHFFFAOYSA-N	-1	0	310.379	0.468	20	30		DCEDRM
COc1cc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])ccc1C#N	ZINC001594055889	958032835	/nfs/dbraw/zinc/03/28/35/958032835.db2.gz	CTXSSHDNZZKFFF-GFCCVEGCSA-N	-1	0	324.358	0.250	20	30		DCEDRM
C#CCN(CC(=O)Nc1c[nH]nc1C(=O)[O-])C(=O)OC(C)(C)C	ZINC001588394455	958034624	/nfs/dbraw/zinc/03/46/24/958034624.db2.gz	DKYNNQHWITUUGC-UHFFFAOYSA-N	-1	0	322.321	0.917	20	30		DCEDRM
C=C[C@H](COC)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001296765894	958049330	/nfs/dbraw/zinc/04/93/30/958049330.db2.gz	XMPPVGUZRKGXFW-SNVBAGLBSA-N	-1	0	304.306	0.197	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1	ZINC001588397588	958060257	/nfs/dbraw/zinc/06/02/57/958060257.db2.gz	MVOJMVZUXRMRGB-SNVBAGLBSA-N	-1	0	318.333	0.339	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC001588397805	958063290	/nfs/dbraw/zinc/06/32/90/958063290.db2.gz	VMYCZCYPYKLYSY-QJPTWQEYSA-N	-1	0	320.345	0.097	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C1(NC(=O)NC(C)C)CCCCC1	ZINC001588400311	958081625	/nfs/dbraw/zinc/08/16/25/958081625.db2.gz	VKKUYIVYWQMRJB-UHFFFAOYSA-N	-1	0	323.393	0.943	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H](NC(C)=O)c1ccccc1	ZINC001588402631	958093920	/nfs/dbraw/zinc/09/39/20/958093920.db2.gz	YPANMFBDBKGYKM-AWEZNQCLSA-N	-1	0	302.330	0.800	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c[nH]c(=O)c(Br)c1	ZINC001588417569	958176214	/nfs/dbraw/zinc/17/62/14/958176214.db2.gz	WRXCTXOWMWBDTL-UHFFFAOYSA-N	-1	0	313.107	0.710	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001297192772	958177043	/nfs/dbraw/zinc/17/70/43/958177043.db2.gz	SZJVXEVEHCDMQZ-SNVBAGLBSA-N	-1	0	322.365	0.203	20	30		DCEDRM
CC#CCCCC(=O)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001297191816	958177084	/nfs/dbraw/zinc/17/70/84/958177084.db2.gz	JUFWDRQVJWQCPV-UHFFFAOYSA-N	-1	0	318.377	0.806	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)CCN2C(C)=O	ZINC001588418731	958184885	/nfs/dbraw/zinc/18/48/85/958184885.db2.gz	FOSKKADGXSYTQF-UHFFFAOYSA-N	-1	0	300.314	0.756	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC001588419125	958192416	/nfs/dbraw/zinc/19/24/16/958192416.db2.gz	SCVIZWFPUGEPGS-UHFFFAOYSA-N	-1	0	308.297	0.904	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)N1CCc2cc([N+](=O)[O-])ccc21	ZINC001588420342	958202777	/nfs/dbraw/zinc/20/27/77/958202777.db2.gz	WSYPODQAOXVYEQ-UHFFFAOYSA-N	-1	0	317.301	0.504	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2CC2)n1C[C@H]1CCCO1	ZINC001588426756	958233859	/nfs/dbraw/zinc/23/38/59/958233859.db2.gz	BFWGTFVWOBWVPP-GFCCVEGCSA-N	-1	0	304.350	0.859	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)[C@@]2(C(=O)[O-])CCCO2)n1	ZINC001588432777	958288639	/nfs/dbraw/zinc/28/86/39/958288639.db2.gz	CQWVSKROSRFKSC-OAHLLOKOSA-N	-1	0	305.334	0.499	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)[C@]2(C(=O)[O-])C[C@H]2C)n1	ZINC001588432979	958289893	/nfs/dbraw/zinc/28/98/93/958289893.db2.gz	IVMAUVKCZNGYED-WBMJQRKESA-N	-1	0	319.361	0.602	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cccc(C(N)=O)c1	ZINC001361763954	958301188	/nfs/dbraw/zinc/30/11/88/958301188.db2.gz	LGHYDTCDBRFDHY-UHFFFAOYSA-N	-1	0	310.313	0.996	20	30		DCEDRM
C#Cc1ccc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC001588438865	958306616	/nfs/dbraw/zinc/30/66/16/958306616.db2.gz	FPGADAURFIHZHS-ZDUSSCGKSA-N	-1	0	308.359	0.551	20	30		DCEDRM
Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1C#N	ZINC001594344378	958316554	/nfs/dbraw/zinc/31/65/54/958316554.db2.gz	ZUMKNOCLCQIXNY-LBPRGKRZSA-N	-1	0	322.342	0.191	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)C#CC(C)(C)C)c1[O-]	ZINC001297742131	958331063	/nfs/dbraw/zinc/33/10/63/958331063.db2.gz	KMLUVISEWSHHKP-JTQLQIEISA-N	-1	0	320.393	0.955	20	30		DCEDRM
C=C(C)Cn1c(-c2ncn(C)n2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588443620	958355264	/nfs/dbraw/zinc/35/52/64/958355264.db2.gz	UKDFFVGKWIXHBB-SNVBAGLBSA-N	-1	0	317.353	0.561	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001588444898	958368833	/nfs/dbraw/zinc/36/88/33/958368833.db2.gz	XVILBEBZBIXPLQ-SLEUVZQESA-N	-1	0	313.350	0.296	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2C[C@H](C)C[C@H](C(=O)[O-])C2)n1CCOC	ZINC001588452979	958429782	/nfs/dbraw/zinc/42/97/82/958429782.db2.gz	SRHHEABVJFZOCI-WOPDTQHZSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)C(=O)OC	ZINC001588465288	958499832	/nfs/dbraw/zinc/49/98/32/958499832.db2.gz	XEYWSLSYZKEUOX-VXGBXAGGSA-N	-1	0	313.350	0.738	20	30		DCEDRM
C=CCOCCCNC(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001573336543	958519223	/nfs/dbraw/zinc/51/92/23/958519223.db2.gz	CCSSJBCDQFNKHQ-CQSZACIVSA-N	-1	0	316.354	0.091	20	30		DCEDRM
C=CCn1c([C@H]2CCNC(=O)C2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588471911	958537084	/nfs/dbraw/zinc/53/70/84/958537084.db2.gz	FZNDFXLNBKTNJN-QWRGUYRKSA-N	-1	0	319.365	0.369	20	30		DCEDRM
C=CCn1c(N2CCC[C@@H](C(=O)[O-])C2)nnc1[C@](C)(O)COC	ZINC001588472602	958544661	/nfs/dbraw/zinc/54/46/61/958544661.db2.gz	PVWCCJSXAITNGA-IAQYHMDHSA-N	-1	0	324.381	0.619	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001588479147	958578681	/nfs/dbraw/zinc/57/86/81/958578681.db2.gz	ZILWFSAYHRJLPX-SNVBAGLBSA-N	-1	0	308.338	0.599	20	30		DCEDRM
N#Cc1cccc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c1	ZINC000126302223	958585638	/nfs/dbraw/zinc/58/56/38/958585638.db2.gz	QJUKSMJRXHVIJV-ZDUSSCGKSA-N	-1	0	308.359	0.632	20	30		DCEDRM
COc1cccc([C@@H](C#N)NC(=O)[C@@](C)(OC)C(=O)[O-])c1OC	ZINC001594121780	958603410	/nfs/dbraw/zinc/60/34/10/958603410.db2.gz	JFJQIBYHCSLDFL-MEBBXXQBSA-N	-1	0	322.317	0.874	20	30		DCEDRM
COC[C@](C)(NC(=O)c1[n-]c(=O)c(C#N)cc1C)C(=O)OC	ZINC001362138264	958806044	/nfs/dbraw/zinc/80/60/44/958806044.db2.gz	OZWBUQITHHSSDS-AWEZNQCLSA-N	-1	0	307.306	0.275	20	30		DCEDRM
COC[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362144696	958815251	/nfs/dbraw/zinc/81/52/51/958815251.db2.gz	DQFQUDGRBRSQJC-LLVKDONJSA-N	-1	0	320.349	0.096	20	30		DCEDRM
C=CCn1nc(C)c(-c2cc(C(=O)NCC(=O)[O-])[nH]n2)c1C	ZINC001573497003	959034174	/nfs/dbraw/zinc/03/41/74/959034174.db2.gz	RASGWJVUDSFJIA-UHFFFAOYSA-N	-1	0	303.322	0.890	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H](CO)[C@@H]2CCOC2)cc1C#N	ZINC001362278791	959057537	/nfs/dbraw/zinc/05/75/37/959057537.db2.gz	JDSVKHNEXQUWRB-KCJUWKMLSA-N	-1	0	323.374	0.508	20	30		DCEDRM
Cc1cc(C)c(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1O	ZINC001362309609	959115103	/nfs/dbraw/zinc/11/51/03/959115103.db2.gz	UVCLYQIMGSAGDB-UHFFFAOYSA-N	-1	0	314.301	0.782	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)C1(C(N)=O)CCCC1	ZINC001362312001	959119411	/nfs/dbraw/zinc/11/94/11/959119411.db2.gz	JVZAKVUEGTZMQF-UHFFFAOYSA-N	-1	0	302.334	0.837	20	30		DCEDRM
COCCC(C)(C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362319774	959136552	/nfs/dbraw/zinc/13/65/52/959136552.db2.gz	IQCLWTWHDOVHPS-UHFFFAOYSA-N	-1	0	308.338	0.142	20	30		DCEDRM
C[C@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC001362327941	959155139	/nfs/dbraw/zinc/15/51/39/959155139.db2.gz	MHJOAGQPYAONOG-LLVKDONJSA-N	-1	0	312.329	0.740	20	30		DCEDRM
CC1(C)OCC[C@@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362687133	959828995	/nfs/dbraw/zinc/82/89/95/959828995.db2.gz	IADDHRIHPFELKF-LLVKDONJSA-N	-1	0	320.349	0.142	20	30		DCEDRM
CCCC[C@@H](O)CCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362689191	959835062	/nfs/dbraw/zinc/83/50/62/959835062.db2.gz	PKQLYJRUSMTPDV-GFCCVEGCSA-N	-1	0	322.365	0.268	20	30		DCEDRM
CCn1ncc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1C	ZINC001362858311	960096783	/nfs/dbraw/zinc/09/67/83/960096783.db2.gz	YDVLVARGTLMGIV-UHFFFAOYSA-N	-1	0	316.321	0.374	20	30		DCEDRM
C#C[C@@H](NC(=O)Nc1n[nH]nc1C(=O)NC1CC1)C(C)(C)C	ZINC001311310633	960247217	/nfs/dbraw/zinc/24/72/17/960247217.db2.gz	ARUTXNGYNYOTID-SECBINFHSA-N	-1	0	304.354	0.866	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cscc2Cl)c(=O)[n-]c1=O	ZINC001362998471	960278610	/nfs/dbraw/zinc/27/86/10/960278610.db2.gz	GEIUACJPFRFHOQ-UHFFFAOYSA-N	-1	0	324.749	0.965	20	30		DCEDRM
Cc1cc(C)cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001363001792	960283390	/nfs/dbraw/zinc/28/33/90/960283390.db2.gz	NAKFQRLQZRRENQ-UHFFFAOYSA-N	-1	0	312.329	0.867	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc(OCCO)nc1	ZINC001363002769	960284381	/nfs/dbraw/zinc/28/43/81/960284381.db2.gz	IARLHMWVNXWIGH-UHFFFAOYSA-N	-1	0	314.301	0.986	20	30		DCEDRM
CC(=O)C(C)(C)CCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363129487	960443223	/nfs/dbraw/zinc/44/32/23/960443223.db2.gz	RSRDGZMYOLEPOS-UHFFFAOYSA-N	-1	0	320.349	0.332	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2c(F)cccc2F)c(C#N)c1=O	ZINC001363133345	960449657	/nfs/dbraw/zinc/44/96/57/960449657.db2.gz	NCYJTQGDCJQIAA-UHFFFAOYSA-N	-1	0	306.272	0.878	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC2(CCO)CCCCC2)c(C#N)c1=O	ZINC001363143463	960473644	/nfs/dbraw/zinc/47/36/44/960473644.db2.gz	NSZNJIGOKQESDJ-UHFFFAOYSA-N	-1	0	306.366	0.690	20	30		DCEDRM
Cc1n[nH]cc1C1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001363156322	960500182	/nfs/dbraw/zinc/50/01/82/960500182.db2.gz	JHEVITDGEDDPPL-UHFFFAOYSA-N	-1	0	314.349	0.361	20	30		DCEDRM
N#Cc1nc(NC(=O)C[C@@H]2CCCS(=O)(=O)C2)[n-]c1C#N	ZINC001363161423	960510322	/nfs/dbraw/zinc/51/03/22/960510322.db2.gz	SFDWALHSUQWGIR-QMMMGPOBSA-N	-1	0	307.335	0.306	20	30		DCEDRM
CN(CC(=O)[O-])Cc1cn(Cc2cccc(C#N)c2F)nn1	ZINC001604113853	972515650	/nfs/dbraw/zinc/51/56/50/972515650.db2.gz	KGDGPNUQWFOJBU-UHFFFAOYSA-N	-1	0	303.297	0.854	20	30		DCEDRM
CCc1csc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001363253904	960708029	/nfs/dbraw/zinc/70/80/29/960708029.db2.gz	CEOSHXGWQSWTJL-UHFFFAOYSA-N	-1	0	305.319	0.478	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC[C@@H]1CC(=O)N(C)C1	ZINC001363428468	961134130	/nfs/dbraw/zinc/13/41/30/961134130.db2.gz	IXYCUGNZPUZUJC-SNVBAGLBSA-N	-1	0	302.334	0.566	20	30		DCEDRM
Cc1ccc2c(c1)[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)CC2	ZINC001363470359	961221517	/nfs/dbraw/zinc/22/15/17/961221517.db2.gz	ULXNPCCNICYSHO-CQSZACIVSA-N	-1	0	324.340	0.933	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2CCCC23CC3)c(=O)[n-]c1=O	ZINC001363484696	961252703	/nfs/dbraw/zinc/25/27/03/961252703.db2.gz	SOZSZUSVOIBQTD-NSHDSACASA-N	-1	0	302.334	0.517	20	30		DCEDRM
Cc1cc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)ncc1C#N	ZINC001363579175	961481781	/nfs/dbraw/zinc/48/17/81/961481781.db2.gz	CGNPLTMSHSWFIA-LLVKDONJSA-N	-1	0	311.349	0.870	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1coc(CN(C)C)n1	ZINC001363633643	961592618	/nfs/dbraw/zinc/59/26/18/961592618.db2.gz	SWMYICKZKDCEDH-UHFFFAOYSA-N	-1	0	315.333	0.947	20	30		DCEDRM
N#Cc1c(NC(=O)CCCCC(=O)[O-])[nH]nc1N1CCOCC1	ZINC001574480050	961656819	/nfs/dbraw/zinc/65/68/19/961656819.db2.gz	UVRCRSWGGOZHCV-UHFFFAOYSA-N	-1	0	321.337	0.701	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cc1	ZINC001574486286	961683083	/nfs/dbraw/zinc/68/30/83/961683083.db2.gz	UFRPIIYGVMCESY-CYBMUJFWSA-N	-1	0	315.329	0.754	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)COCc2cc[nH]c(=O)c2)CC1	ZINC001571143189	961689867	/nfs/dbraw/zinc/68/98/67/961689867.db2.gz	NUZONJCQCGXNRX-UHFFFAOYSA-N	-1	0	319.317	0.521	20	30		DCEDRM
Cc1ccc([C@H](O)CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001363724870	961763606	/nfs/dbraw/zinc/76/36/06/961763606.db2.gz	BBMIYUYSURHXJI-GFCCVEGCSA-N	-1	0	300.318	0.399	20	30		DCEDRM
CC(C)[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)N1CCCC1	ZINC001363734041	961783496	/nfs/dbraw/zinc/78/34/96/961783496.db2.gz	UYRQLKJKQXKKJG-NSHDSACASA-N	-1	0	319.365	0.004	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)Nc1cc(C#N)ccc1F)C(=O)[O-]	ZINC001571153423	961819035	/nfs/dbraw/zinc/81/90/35/961819035.db2.gz	NHWNEBYHZDNOMR-YUMQZZPRSA-N	-1	0	322.296	0.797	20	30		DCEDRM
C[C@@]12CSC[C@@H]1CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C2	ZINC001363889637	962092041	/nfs/dbraw/zinc/09/20/41/962092041.db2.gz	XBLGXRIXMSYFOX-IINYFYTJSA-N	-1	0	320.374	0.032	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2ccnn2C2CC2)c(=O)[n-]c1=O	ZINC001363892721	962096132	/nfs/dbraw/zinc/09/61/32/962096132.db2.gz	CQCHHIMPWMPEQL-UHFFFAOYSA-N	-1	0	314.305	0.381	20	30		DCEDRM
CC1(C)CO[C@H](CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001364108078	962487033	/nfs/dbraw/zinc/48/70/33/962487033.db2.gz	MDSLGAMHILKEGB-LLVKDONJSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C#CC[C@@H](NC(=O)/C=C/c1cncc(C(=O)NC)c1)C(=O)[O-]	ZINC001573302708	962659644	/nfs/dbraw/zinc/65/96/44/962659644.db2.gz	PFEOILUJAAQMDE-BTDICHCPSA-N	-1	0	301.302	0.047	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CN(C)c1ncnc2nc[nH]c21)C(=O)[O-]	ZINC001573321160	962754386	/nfs/dbraw/zinc/75/43/86/962754386.db2.gz	JJIZOJQIHBHXHU-SECBINFHSA-N	-1	0	318.337	0.325	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C[C@H]21	ZINC001573324544	962786898	/nfs/dbraw/zinc/78/68/98/962786898.db2.gz	UVQWHCLUPYMZFF-MOWSAHLDSA-N	-1	0	306.362	0.636	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC001588994165	962827097	/nfs/dbraw/zinc/82/70/97/962827097.db2.gz	YYNXAQFIUJYOSS-VIFPVBQESA-N	-1	0	305.290	0.507	20	30		DCEDRM
C=C(Cl)CN1CC[C@@H]2CN(C(=O)CNC(=O)[O-])C[C@@H]2C1	ZINC001573344383	962918435	/nfs/dbraw/zinc/91/84/35/962918435.db2.gz	VKICFSUZXKVXPD-MNOVXSKESA-N	-1	0	301.774	0.787	20	30		DCEDRM
CC(=O)N1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@@H](C)C1	ZINC001364355574	962949371	/nfs/dbraw/zinc/94/93/71/962949371.db2.gz	WVVGQGIZDAFTDZ-JTQLQIEISA-N	-1	0	314.349	0.359	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)[O-]	ZINC001573348642	962960112	/nfs/dbraw/zinc/96/01/12/962960112.db2.gz	YSLRPOATZDGWBG-PGUXBMHVSA-N	-1	0	309.366	0.668	20	30		DCEDRM
C=CCCn1cc(C(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)nn1	ZINC001573360460	963038123	/nfs/dbraw/zinc/03/81/23/963038123.db2.gz	PHRLHANNNIZAKR-UHFFFAOYSA-N	-1	0	303.278	0.905	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCC[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573369398	963097132	/nfs/dbraw/zinc/09/71/32/963097132.db2.gz	SGKODNAIYPPBSB-QWRGUYRKSA-N	-1	0	313.354	0.000	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NCCc2cccc(C(=O)[O-])c2)CCO1	ZINC000315990791	963961702	/nfs/dbraw/zinc/96/17/02/963961702.db2.gz	AEJIBDNOYXTDLR-CYBMUJFWSA-N	-1	0	303.318	0.861	20	30		DCEDRM
CC1(C)CC(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001447828573	1013576289	/nfs/dbraw/zinc/57/62/89/1013576289.db2.gz	ASXJKQQOLRSGRA-UHFFFAOYSA-N	-1	0	304.350	0.763	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001605417797	1169915404	/nfs/dbraw/zinc/91/54/04/1169915404.db2.gz	HOIOBLTUQSQTQD-SDDRHHMPSA-N	-1	0	317.411	0.755	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001373231187	968828941	/nfs/dbraw/zinc/82/89/41/968828941.db2.gz	TZEIYYWICYXXKN-GXSJLCMTSA-N	-1	0	319.365	0.646	20	30		DCEDRM
COC[C@@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)[C@H]1CCCO1	ZINC001448686602	1013996287	/nfs/dbraw/zinc/99/62/87/1013996287.db2.gz	XTRBBWCEISUSCO-VXGBXAGGSA-N	-1	0	305.334	0.891	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC001609873147	970570254	/nfs/dbraw/zinc/57/02/54/970570254.db2.gz	ZVTLSMNRUOHKNM-NSHDSACASA-N	-1	0	317.349	0.648	20	30		DCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NCc1ccco1	ZINC001609972890	970624602	/nfs/dbraw/zinc/62/46/02/970624602.db2.gz	QQJVIQVNSLNKCZ-LKFCYVNXSA-N	-1	0	308.290	0.832	20	30		DCEDRM
C[C@H](CC(=O)[O-])NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC001599888417	970728957	/nfs/dbraw/zinc/72/89/57/970728957.db2.gz	QGSFPTINMNCAGS-SECBINFHSA-N	-1	0	313.317	0.919	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001603290299	972545273	/nfs/dbraw/zinc/54/52/73/972545273.db2.gz	KNYPFWKQUSGALY-ABAIWWIYSA-N	-1	0	307.350	0.462	20	30		DCEDRM
Cc1c(C(=O)NC2(CC(=O)[O-])CCOCC2)cnn1CCC#N	ZINC001605076568	972705150	/nfs/dbraw/zinc/70/51/50/972705150.db2.gz	IVFSVXMBOXWXGD-UHFFFAOYSA-N	-1	0	320.349	0.859	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(C#N)c(C)n1	ZINC001604306178	972961111	/nfs/dbraw/zinc/96/11/11/972961111.db2.gz	MNKDDKNMZPSDPQ-UHFFFAOYSA-N	-1	0	305.290	0.352	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1	ZINC001604423410	973200327	/nfs/dbraw/zinc/20/03/27/973200327.db2.gz	ZXLCQYAKIWLVSU-DOMZBBRYSA-N	-1	0	303.318	0.565	20	30		DCEDRM
C[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)CC[C@H]1C(=O)[O-]	ZINC001603443392	973240017	/nfs/dbraw/zinc/24/00/17/973240017.db2.gz	SYVZCEQHEPNCQC-ZYHUDNBSSA-N	-1	0	302.334	0.934	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCc1ccc(C#N)cc1[N+](=O)[O-]	ZINC001604461318	973303287	/nfs/dbraw/zinc/30/32/87/973303287.db2.gz	HPVLBTSRFDDAJD-ZDUSSCGKSA-N	-1	0	308.246	0.999	20	30		DCEDRM
Cn1c(CNC(=O)[C@](C)(C#N)CC(=O)[O-])nnc1C1CCC1	ZINC001605466836	973565200	/nfs/dbraw/zinc/56/52/00/973565200.db2.gz	ZDENXAWKTAHOFF-AWEZNQCLSA-N	-1	0	305.338	0.703	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)[C@@]2(C#N)CC23CCCC3)CCO1	ZINC001604551834	973578361	/nfs/dbraw/zinc/57/83/61/973578361.db2.gz	WKERNDQRFCITFZ-HOTGVXAUSA-N	-1	0	322.361	0.789	20	30		DCEDRM
Cn1c(C#N)ccc1-c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C	ZINC001605467720	973578803	/nfs/dbraw/zinc/57/88/03/973578803.db2.gz	TXMBIARBKRRJGA-SECBINFHSA-N	-1	0	300.322	0.603	20	30		DCEDRM
N#C[C@]1(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)CCCOC1	ZINC001605576435	973848013	/nfs/dbraw/zinc/84/80/13/973848013.db2.gz	NUJQUKIRJZSTCO-FHBZKAFMSA-N	-1	0	322.361	0.835	20	30		DCEDRM
N#Cc1cccc(CN[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1	ZINC001605617603	973935796	/nfs/dbraw/zinc/93/57/96/973935796.db2.gz	PTNHCLLFJIRTJE-CYBMUJFWSA-N	-1	0	302.334	0.509	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001592222560	977408500	/nfs/dbraw/zinc/40/85/00/977408500.db2.gz	YKINWQBUTXBKEZ-UWVGGRQHSA-N	-1	0	321.424	0.215	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC	ZINC000717436576	977900578	/nfs/dbraw/zinc/90/05/78/977900578.db2.gz	AJTXBIZCPXIJHE-SECBINFHSA-N	-1	0	301.320	0.219	20	30		DCEDRM
C[C@H](NC(=O)CSCC#N)[C@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001593036045	980312148	/nfs/dbraw/zinc/31/21/48/980312148.db2.gz	FAMFHPRLNXUKPP-IUCAKERBSA-N	-1	0	323.378	0.159	20	30		DCEDRM
CCCC(=O)N1CCCC[C@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001595523480	981348191	/nfs/dbraw/zinc/34/81/91/981348191.db2.gz	KIMUKKPCTYYKHT-LBPRGKRZSA-N	-1	0	309.366	0.994	20	30		DCEDRM
CCCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nccnc1C#N	ZINC001595882327	982894116	/nfs/dbraw/zinc/89/41/16/982894116.db2.gz	GOHAVNCENLLCFT-GHMZBOCLSA-N	-1	0	317.349	0.402	20	30		DCEDRM
Cn1cc(C(=O)[O-])c(NC(=O)[C@@H](O)c2ccc(C#N)cc2)n1	ZINC001574211401	983192511	/nfs/dbraw/zinc/19/25/11/983192511.db2.gz	HGAGNIIZKXNCKI-NSHDSACASA-N	-1	0	300.274	0.662	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])o1	ZINC001574250348	983204982	/nfs/dbraw/zinc/20/49/82/983204982.db2.gz	ZHPLFEUYZZZXSP-PSASIEDQSA-N	-1	0	314.319	0.452	20	30		DCEDRM
O=C([O-])c1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)[nH]1	ZINC001574819314	983284267	/nfs/dbraw/zinc/28/42/67/983284267.db2.gz	GIQIUYVNQJKUCB-UHFFFAOYSA-N	-1	0	303.274	0.762	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1	ZINC001588370651	983321075	/nfs/dbraw/zinc/32/10/75/983321075.db2.gz	JSLMWAOPAPPJNO-IUCAKERBSA-N	-1	0	310.281	0.793	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1)[C@@H]1CCCO1	ZINC001588370840	983322749	/nfs/dbraw/zinc/32/27/49/983322749.db2.gz	OLDHWNASESKJIN-TYUFSLCMSA-N	-1	0	322.361	0.043	20	30		DCEDRM
C#C[C@H](NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C1CCOCC1	ZINC001588372726	983333561	/nfs/dbraw/zinc/33/35/61/983333561.db2.gz	RHRJBYQRPUGGTM-WXHSDQCUSA-N	-1	0	310.350	0.298	20	30		DCEDRM
C#C[C@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)[C@H]1CCCO1	ZINC001588373746	983339790	/nfs/dbraw/zinc/33/97/90/983339790.db2.gz	JKGBDOVNMPMEHU-QTJJRWQNSA-N	-1	0	306.362	0.966	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C1CCOCC1	ZINC001588376847	983353781	/nfs/dbraw/zinc/35/37/81/983353781.db2.gz	YMRYEILLKXWYRV-LBPRGKRZSA-N	-1	0	324.358	0.487	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588382277	983369860	/nfs/dbraw/zinc/36/98/60/983369860.db2.gz	LMPZMJNRVPHOLN-HTOAHKCRSA-N	-1	0	318.373	0.616	20	30		DCEDRM
C#C[C@H]1COCCN1CC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC001588384040	983386253	/nfs/dbraw/zinc/38/62/53/983386253.db2.gz	SUZOZFULGPXKPB-ZDUSSCGKSA-N	-1	0	302.330	0.966	20	30		DCEDRM
C#CC[C@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(=O)[O-]	ZINC001588404458	983417919	/nfs/dbraw/zinc/41/79/19/983417919.db2.gz	BUQJJSVORPVNRM-LBPRGKRZSA-N	-1	0	313.313	0.490	20	30		DCEDRM
C#CC[C@H](NC(=O)CCc1c(C)nc(SC)[nH]c1=O)C(=O)[O-]	ZINC001588404679	983418316	/nfs/dbraw/zinc/41/83/16/983418316.db2.gz	FWDOAPIZERMSNU-JTQLQIEISA-N	-1	0	323.374	0.738	20	30		DCEDRM
C#CC[C@H](NC(=O)CCS(=O)(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC001588405225	983420370	/nfs/dbraw/zinc/42/03/70/983420370.db2.gz	KXNRATPQXIDYLF-ZDUSSCGKSA-N	-1	0	323.370	0.752	20	30		DCEDRM
C#CC[C@@H](NC(=O)CNC(=O)NCc1ccc(C)cc1)C(=O)[O-]	ZINC001588405747	983422517	/nfs/dbraw/zinc/42/25/17/983422517.db2.gz	SVRSVFRCCVRRMG-CYBMUJFWSA-N	-1	0	317.345	0.387	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC(c2cccc(OC)c2)=NO1)C(=O)[O-]	ZINC001588405713	983422569	/nfs/dbraw/zinc/42/25/69/983422569.db2.gz	IKHRNSXZYCQYMN-JSGCOSHPSA-N	-1	0	316.313	0.781	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)C(=O)[O-]	ZINC001588406133	983424196	/nfs/dbraw/zinc/42/41/96/983424196.db2.gz	YIFURHVUOFQSOJ-CYBMUJFWSA-N	-1	0	313.313	0.379	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)C(=O)[O-]	ZINC001588413705	983431667	/nfs/dbraw/zinc/43/16/67/983431667.db2.gz	GQROCCNUQHNCMY-MRVPVSSYSA-N	-1	0	313.107	0.756	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(N2CCCCC2)ncn1)C(=O)[O-]	ZINC001588413832	983432627	/nfs/dbraw/zinc/43/26/27/983432627.db2.gz	JJOSVDJWLLZGKF-NSHDSACASA-N	-1	0	302.334	0.673	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cncc(N2CCCC2=O)c1)C(=O)[O-]	ZINC001588417038	983438328	/nfs/dbraw/zinc/43/83/28/983438328.db2.gz	VPHVPJPZKSROJN-GFCCVEGCSA-N	-1	0	301.302	0.415	20	30		DCEDRM
C#CC[C@H](NC(=O)c1nnn(Cc2cc(C)on2)c1C)C(=O)[O-]	ZINC001588421457	983440903	/nfs/dbraw/zinc/44/09/03/983440903.db2.gz	JREXHQIEVFLGAB-NSHDSACASA-N	-1	0	317.305	0.138	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)C[C@H]1CCC2(CCC2)O1)C(=O)[O-]	ZINC001588424412	983455278	/nfs/dbraw/zinc/45/52/78/983455278.db2.gz	WMEYJHSXOLDHBX-MNOVXSKESA-N	-1	0	301.364	0.484	20	30		DCEDRM
C#CCC1(O)CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC001588431092	983464533	/nfs/dbraw/zinc/46/45/33/983464533.db2.gz	GMQIPHPIPTTXBO-UHFFFAOYSA-N	-1	0	313.331	0.517	20	30		DCEDRM
C#CCCCC(=O)N[C@H](C)CN(C)c1ncc(C(=O)[O-])cn1	ZINC001588435051	983474302	/nfs/dbraw/zinc/47/43/02/983474302.db2.gz	AQTKFVFRANXQEH-LLVKDONJSA-N	-1	0	304.350	0.919	20	30		DCEDRM
C#CCCCC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001588435263	983475477	/nfs/dbraw/zinc/47/54/77/983475477.db2.gz	IVBXFUWJJSCWII-NEPJUHHUSA-N	-1	0	306.362	0.666	20	30		DCEDRM
C#CCN(CC)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C	ZINC001588467748	983499309	/nfs/dbraw/zinc/49/93/09/983499309.db2.gz	FBOIQADJUIJBFS-UHFFFAOYSA-N	-1	0	317.345	0.871	20	30		DCEDRM
C#CCN(Cc1ccc(C(=O)[O-])n1C)[C@H]1CCS(=O)(=O)C1	ZINC001588469734	983502832	/nfs/dbraw/zinc/50/28/32/983502832.db2.gz	PMIUSYSYCGMTDY-LBPRGKRZSA-N	-1	0	310.375	0.346	20	30		DCEDRM
C#CCNC(=O)COC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1	ZINC001588483895	983522463	/nfs/dbraw/zinc/52/24/63/983522463.db2.gz	MHYIXOJRFRHJMI-MLGOLLRUSA-N	-1	0	301.298	0.538	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)c1ccnc(C(=O)[O-])n1	ZINC001588490763	983534125	/nfs/dbraw/zinc/53/41/25/983534125.db2.gz	XYOSKCYTMNYDJU-WDEREUQCSA-N	-1	0	320.349	0.154	20	30		DCEDRM
C#Cc1ccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)cc1	ZINC001588517968	983567479	/nfs/dbraw/zinc/56/74/79/983567479.db2.gz	KWAGCCZALWCBQW-ZDUSSCGKSA-N	-1	0	300.314	0.930	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001588536990	983597149	/nfs/dbraw/zinc/59/71/49/983597149.db2.gz	WJAICEBLEKPBAK-GHMZBOCLSA-N	-1	0	303.380	0.894	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-]	ZINC001588541084	983606317	/nfs/dbraw/zinc/60/63/17/983606317.db2.gz	RTVRAOKMLOPTMJ-WDEREUQCSA-N	-1	0	303.380	0.737	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001596231370	983626435	/nfs/dbraw/zinc/62/64/35/983626435.db2.gz	NGNPUCYQPSQEGM-JTQLQIEISA-N	-1	0	316.317	0.426	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-]	ZINC001588555949	983638213	/nfs/dbraw/zinc/63/82/13/983638213.db2.gz	XUJRPMMHXJTRGS-SNVBAGLBSA-N	-1	0	301.368	0.909	20	30		DCEDRM
C=C(C)CNC(=S)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001588569501	983649473	/nfs/dbraw/zinc/64/94/73/983649473.db2.gz	CMJKQESSHPEAPA-AWEZNQCLSA-N	-1	0	313.423	0.298	20	30		DCEDRM
C=C(C)Cn1c(C[C@H](C)O)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588597169	983678427	/nfs/dbraw/zinc/67/84/27/983678427.db2.gz	AZHLUJQIUITJSQ-NHYWBVRUSA-N	-1	0	324.381	0.457	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(O)(c2ncnn2C)CC1	ZINC001588613811	983705150	/nfs/dbraw/zinc/70/51/50/983705150.db2.gz	DWFMVPMJEBHWQV-UHFFFAOYSA-N	-1	0	308.338	0.046	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(c2nnc(C)n2C)CC1	ZINC001588614753	983708692	/nfs/dbraw/zinc/70/86/92/983708692.db2.gz	AZHJGKCPCDYXNB-UHFFFAOYSA-N	-1	0	307.354	0.193	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCS(=O)(=O)C[C@H]1C1CC1	ZINC001588619392	983716796	/nfs/dbraw/zinc/71/67/96/983716796.db2.gz	RYNPQMVJQWHCTM-NSHDSACASA-N	-1	0	301.364	0.443	20	30		DCEDRM
CCN(CCC#N)C(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001596299490	983724335	/nfs/dbraw/zinc/72/43/35/983724335.db2.gz	KKCVCWRHSTXYGK-UHFFFAOYSA-N	-1	0	302.290	0.180	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(CS(N)(=O)=O)cc1	ZINC001588629585	983738282	/nfs/dbraw/zinc/73/82/82/983738282.db2.gz	NFWBTMNJSUCFPZ-UHFFFAOYSA-N	-1	0	312.347	0.835	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1nc(C)cc(C#N)n1	ZINC001596332906	983771245	/nfs/dbraw/zinc/77/12/45/983771245.db2.gz	MHJLEHISEUQTCC-RYUDHWBXSA-N	-1	0	317.349	0.320	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1	ZINC001588664365	983799899	/nfs/dbraw/zinc/79/98/99/983799899.db2.gz	PVHDBLCTDLFMLA-JTQLQIEISA-N	-1	0	319.379	0.068	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001588683929	983853398	/nfs/dbraw/zinc/85/33/98/983853398.db2.gz	HMKFGIJVQKGBLN-IAQYHMDHSA-N	-1	0	320.349	0.515	20	30		DCEDRM
C=C[C@@H](C)ONC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001588687385	983870549	/nfs/dbraw/zinc/87/05/49/983870549.db2.gz	NTLSEWGIBNBSQM-RISCZKNCSA-N	-1	0	313.354	0.063	20	30		DCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588736239	984023467	/nfs/dbraw/zinc/02/34/67/984023467.db2.gz	UXSLRNMZTGUFPB-MQIPJXDCSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001588744796	984046093	/nfs/dbraw/zinc/04/60/93/984046093.db2.gz	QVDGJSSLOHUILV-QMMMGPOBSA-N	-1	0	312.347	0.746	20	30		DCEDRM
C=CCC1(C(=O)OCCc2cn(CC(=O)[O-])nn2)CCOCC1	ZINC001588765152	984124845	/nfs/dbraw/zinc/12/48/45/984124845.db2.gz	RNBSJJFLZBLTQQ-UHFFFAOYSA-N	-1	0	323.349	0.821	20	30		DCEDRM
C=CCC[C@@H](NC(=O)Cn1cc(C(=O)[O-])cn1)C(=O)OCC	ZINC001588778638	984161905	/nfs/dbraw/zinc/16/19/05/984161905.db2.gz	HTXIYNTXFCGYKM-LLVKDONJSA-N	-1	0	309.322	0.595	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)C(=O)[O-]	ZINC001588786726	984184638	/nfs/dbraw/zinc/18/46/38/984184638.db2.gz	RDPDDSQVQMAHID-VHSXEESVSA-N	-1	0	306.384	0.369	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1cccnc1OCCO)C(=O)[O-]	ZINC001588793043	984215680	/nfs/dbraw/zinc/21/56/80/984215680.db2.gz	KMXVMIRTWMXFMK-GFCCVEGCSA-N	-1	0	308.334	0.992	20	30		DCEDRM
C=CCCS(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001588813555	984270087	/nfs/dbraw/zinc/27/00/87/984270087.db2.gz	WDAULRRJINNAFC-VHSXEESVSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=CCN(C(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)C1CC1	ZINC001588820026	984280674	/nfs/dbraw/zinc/28/06/74/984280674.db2.gz	NFYMBFTXDXDXHK-MEDUHNTESA-N	-1	0	322.361	0.113	20	30		DCEDRM
C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CF)C(=O)[O-])cc2C1=O	ZINC001588837096	984331715	/nfs/dbraw/zinc/33/17/15/984331715.db2.gz	PVCNOHKBJVEPRY-NSHDSACASA-N	-1	0	320.276	0.621	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1	ZINC001588849997	984377806	/nfs/dbraw/zinc/37/78/06/984377806.db2.gz	SEZBEMHBIHYTSS-NEPJUHHUSA-N	-1	0	310.350	0.113	20	30		DCEDRM
C=CCOCC(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCCC1	ZINC001588850729	984379226	/nfs/dbraw/zinc/37/92/26/984379226.db2.gz	BBYPHQSNHYBXGX-RYUDHWBXSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)[C@@H]1C	ZINC001588850995	984382046	/nfs/dbraw/zinc/38/20/46/984382046.db2.gz	OFSBOWCHGPUZTM-PWSUYJOCSA-N	-1	0	320.349	0.461	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC(c2cccnc2)=NO1)C(=O)[O-]	ZINC001588855674	984394469	/nfs/dbraw/zinc/39/44/69/984394469.db2.gz	NPDUNJVHPMQPHH-STQMWFEESA-N	-1	0	319.317	0.347	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CNC(=O)c2ccccc21)C(=O)[O-]	ZINC001588856194	984397915	/nfs/dbraw/zinc/39/79/15/984397915.db2.gz	WEIXJGBPYMROBP-CHWSQXEVSA-N	-1	0	318.329	0.286	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc2n(n1)CCC[C@@H]2O)C(=O)[O-]	ZINC001588859567	984406640	/nfs/dbraw/zinc/40/66/40/984406640.db2.gz	QBXZWLKKNANOHX-PWSUYJOCSA-N	-1	0	309.322	0.096	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)C(=O)OC	ZINC001588859614	984407083	/nfs/dbraw/zinc/40/70/83/984407083.db2.gz	RGEQKNWKRQZJJV-NSHDSACASA-N	-1	0	308.290	0.254	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1[nH]nc2c1cccc2OC)C(=O)[O-]	ZINC001588860329	984412129	/nfs/dbraw/zinc/41/21/29/984412129.db2.gz	QLIXRJXXHMOIER-JTQLQIEISA-N	-1	0	319.317	0.957	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(NC(=O)NC)cc1)C(=O)[O-]	ZINC001588862116	984417503	/nfs/dbraw/zinc/41/75/03/984417503.db2.gz	QIPRNMJQHFZYTL-GFCCVEGCSA-N	-1	0	321.333	0.824	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588866581	984426108	/nfs/dbraw/zinc/42/61/08/984426108.db2.gz	LIYGHONSZRIEFT-XQHKEYJVSA-N	-1	0	324.377	0.311	20	30		DCEDRM
C=CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588898236	984517043	/nfs/dbraw/zinc/51/70/43/984517043.db2.gz	UIMFYNZUVRRLBB-QWRGUYRKSA-N	-1	0	308.338	0.258	20	30		DCEDRM
C=CCn1c(N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001588905020	984535062	/nfs/dbraw/zinc/53/50/62/984535062.db2.gz	MUPIKCOHCFQKFS-HZMBPMFUSA-N	-1	0	306.366	0.993	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1occc1C(=O)[O-]	ZINC001588916785	984563461	/nfs/dbraw/zinc/56/34/61/984563461.db2.gz	DXOJUTYWRDDPLT-ZJUUUORDSA-N	-1	0	301.320	0.990	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC001588919427	984572273	/nfs/dbraw/zinc/57/22/73/984572273.db2.gz	LIPQZQSNWLZIOX-ZCFIWIBFSA-N	-1	0	307.349	0.280	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC001588920044	984575738	/nfs/dbraw/zinc/57/57/38/984575738.db2.gz	SVLIKHTVBDYMKO-ZCFIWIBFSA-N	-1	0	307.274	0.488	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC001588926030	984590878	/nfs/dbraw/zinc/59/08/78/984590878.db2.gz	GMYGWLLFPMCYOX-DTWKUNHWSA-N	-1	0	311.363	0.976	20	30		DCEDRM
CC(=NN[C@@H]1CCCS(=O)(=O)C1)c1ncc(C(=O)[O-])s1	ZINC001589016852	984998378	/nfs/dbraw/zinc/99/83/78/984998378.db2.gz	MPZZTKGROHKRHT-MRVPVSSYSA-N	-1	0	317.392	0.732	20	30		DCEDRM
CC(=NN[C@@H]1CCS(=O)(=O)C1)c1cc(C(=O)[O-])cs1	ZINC001589016895	984999345	/nfs/dbraw/zinc/99/93/45/984999345.db2.gz	NXGBAWUGYWHPSG-SECBINFHSA-N	-1	0	302.377	0.947	20	30		DCEDRM
Cc1c(C(=O)N[C@]2(CC(=O)[O-])CCOC2)cnn1CCC#N	ZINC001599979200	986138695	/nfs/dbraw/zinc/13/86/95/986138695.db2.gz	MIMXIDUSUXIUKO-AWEZNQCLSA-N	-1	0	306.322	0.469	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)c1ccnc(C(=O)[O-])n1	ZINC001589328583	986157787	/nfs/dbraw/zinc/15/77/87/986157787.db2.gz	CTPMVEIPZCNTHB-WDEREUQCSA-N	-1	0	317.349	0.762	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CCC1	ZINC001589328553	986157854	/nfs/dbraw/zinc/15/78/54/986157854.db2.gz	CABGRCAKCKZALH-VIFPVBQESA-N	-1	0	303.322	0.207	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@H]1CN(C)c1ncc(C(=O)[O-])cn1	ZINC001589328665	986158524	/nfs/dbraw/zinc/15/85/24/986158524.db2.gz	FZWZSQNOCRSFOM-JQWIXIFHSA-N	-1	0	317.349	0.762	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNc1ccnc(C(=O)[O-])n1	ZINC001589329206	986162412	/nfs/dbraw/zinc/16/24/12/986162412.db2.gz	LJTHOOXCGJUGIK-VHSXEESVSA-N	-1	0	303.322	0.159	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC[C@@H]1O	ZINC001594553540	986266480	/nfs/dbraw/zinc/26/64/80/986266480.db2.gz	BULCLWRSAVBAGZ-CABZTGNLSA-N	-1	0	324.358	0.648	20	30		DCEDRM
CCOc1cc(C(=O)[O-])ccc1NC(=O)NCC(=O)NCC#N	ZINC001597021636	986413446	/nfs/dbraw/zinc/41/34/46/986413446.db2.gz	LKNGRACJTIGFMW-UHFFFAOYSA-N	-1	0	320.305	0.545	20	30		DCEDRM
C[C@@H]1Cc2cccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c2O1	ZINC001594620153	986655855	/nfs/dbraw/zinc/65/58/55/986655855.db2.gz	MJMAXNSFAZWDEB-SECBINFHSA-N	-1	0	310.331	0.609	20	30		DCEDRM
C[C@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)C#CC1CC1	ZINC001594657802	986922120	/nfs/dbraw/zinc/92/21/20/986922120.db2.gz	UYNIOQVJMNTLGZ-MWLCHTKSSA-N	-1	0	310.375	0.281	20	30		DCEDRM
CSc1nc(=O)[nH]c(C)c1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599827926	988626327	/nfs/dbraw/zinc/62/63/27/988626327.db2.gz	SWLYPJMAFRCRQR-UHFFFAOYSA-N	-1	0	310.335	0.653	20	30		DCEDRM
CCn1nccc1[C@H]1OCCC[C@@H]1C=Nn1c(=O)[n-][nH]c1=O	ZINC001552451446	1015443804	/nfs/dbraw/zinc/44/38/04/1015443804.db2.gz	GKAFMMPHOCBPGS-KOLCDFICSA-N	-1	0	306.326	0.908	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599868420	989309315	/nfs/dbraw/zinc/30/93/15/989309315.db2.gz	OTGNBFGIBUFSHA-MFKMUULPSA-N	-1	0	324.358	0.615	20	30		DCEDRM
CCn1c(N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)nnc1C(C)(C)C#N	ZINC001597859442	989626790	/nfs/dbraw/zinc/62/67/90/989626790.db2.gz	SAPCYLOHSTYFFK-NXEZZACHSA-N	-1	0	307.354	0.777	20	30		DCEDRM
CC(C)(C)OC(=O)c1cnc(C(=O)N(CC#N)CC(=O)[O-])cn1	ZINC001590370039	989863362	/nfs/dbraw/zinc/86/33/62/989863362.db2.gz	XZWCFSRHDLYQNZ-UHFFFAOYSA-N	-1	0	320.305	0.482	20	30		DCEDRM
CC(C)(C)n1cc(C(=O)C(=O)N(CC#N)CCC(=O)[O-])cn1	ZINC001590587205	990234160	/nfs/dbraw/zinc/23/41/60/990234160.db2.gz	KUCADPOYRRWENH-UHFFFAOYSA-N	-1	0	306.322	0.648	20	30		DCEDRM
CC(C)(NS(=O)(=O)CCCC#N)c1nocc1C(=O)[O-]	ZINC001590874395	990784364	/nfs/dbraw/zinc/78/43/64/990784364.db2.gz	FWZNRRWZIXCLOF-UHFFFAOYSA-N	-1	0	301.324	0.831	20	30		DCEDRM
CC(C)C#CC(=O)NCC1(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001590927915	990937731	/nfs/dbraw/zinc/93/77/31/990937731.db2.gz	NVCOHKDJKJKLDZ-STQMWFEESA-N	-1	0	320.389	0.769	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001590928060	990938844	/nfs/dbraw/zinc/93/88/44/990938844.db2.gz	PVOQMJXYGIYFGV-CYDGBPFRSA-N	-1	0	306.362	0.378	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)c1	ZINC001598287794	991191243	/nfs/dbraw/zinc/19/12/43/991191243.db2.gz	MGYVYCQSTOCQQX-INIZCTEOSA-N	-1	0	317.345	0.988	20	30		DCEDRM
CN(C)c1ncc(/C=C/C(=O)c2cn(CC(=O)[O-])nn2)n1C	ZINC001598354011	991463368	/nfs/dbraw/zinc/46/33/68/991463368.db2.gz	QJCHNOYWFZVXAC-SNAWJCMRSA-N	-1	0	304.310	0.058	20	30		DCEDRM
C[S@@](=N)(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC001599742133	991874300	/nfs/dbraw/zinc/87/43/00/991874300.db2.gz	HCXQXHCTBWYWCZ-DMZKTXOQSA-N	-1	0	322.390	0.893	20	30		DCEDRM
CN(CCC#N)C[C@H](O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC001598468863	991993476	/nfs/dbraw/zinc/99/34/76/991993476.db2.gz	MHVHMHVMDADSNY-JTQLQIEISA-N	-1	0	323.305	0.878	20	30		DCEDRM
CS(=O)(=O)Nc1cccc(CN(CC#N)CCC(=O)[O-])c1	ZINC001599759793	992104883	/nfs/dbraw/zinc/10/48/83/992104883.db2.gz	HWNSYCSVFNYBDG-UHFFFAOYSA-N	-1	0	311.363	0.858	20	30		DCEDRM
CN(Cc1cn[nH]c1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598533400	992816736	/nfs/dbraw/zinc/81/67/36/992816736.db2.gz	NOIBRVIFUGDFCG-UHFFFAOYSA-N	-1	0	320.330	0.800	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001393754743	993227225	/nfs/dbraw/zinc/22/72/25/993227225.db2.gz	FVQCLSFZRGBPOJ-UWVGGRQHSA-N	-1	0	306.370	0.387	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)COc1ccccc1C#N	ZINC001598695006	995123078	/nfs/dbraw/zinc/12/30/78/995123078.db2.gz	YNLIJZNZOWTRAS-JTQLQIEISA-N	-1	0	306.274	0.070	20	30		DCEDRM
C[C@@H](O)CN(C)N=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC001593456517	995359356	/nfs/dbraw/zinc/35/93/56/995359356.db2.gz	IAWKGSJBRGEBIO-SECBINFHSA-N	-1	0	311.294	0.705	20	30		DCEDRM
CO[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC001464689653	1015938368	/nfs/dbraw/zinc/93/83/68/1015938368.db2.gz	AXQKRLKMNJGRBL-UHFFFAOYSA-N	-1	0	303.727	0.168	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC001598713486	995376168	/nfs/dbraw/zinc/37/61/68/995376168.db2.gz	OZQXMPFCYYVIEX-HONMWMINSA-N	-1	0	318.329	0.946	20	30		DCEDRM
COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cccc(C(=O)[O-])c1C#N	ZINC001598740837	995561525	/nfs/dbraw/zinc/56/15/25/995561525.db2.gz	GOHYPZDBGCOJFP-KGLIPLIRSA-N	-1	0	318.329	0.755	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(C#N)c[nH]1	ZINC001598746788	995603105	/nfs/dbraw/zinc/60/31/05/995603105.db2.gz	TXNZFOIEDKPEQH-KOLCDFICSA-N	-1	0	305.290	0.365	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1Cc1cncc(C#N)c1	ZINC001598761304	995780308	/nfs/dbraw/zinc/78/03/08/995780308.db2.gz	QZBKSRRLHZMJTQ-QWHCGFSZSA-N	-1	0	303.318	0.791	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1	ZINC001593761913	996426243	/nfs/dbraw/zinc/42/62/43/996426243.db2.gz	FWIVSJOHWKZMRR-XHDPSFHLSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCC[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1	ZINC001593775818	996473246	/nfs/dbraw/zinc/47/32/46/996473246.db2.gz	CFQJRUIOMNRAMF-HNNXBMFYSA-N	-1	0	315.333	0.993	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001598854601	996627427	/nfs/dbraw/zinc/62/74/27/996627427.db2.gz	FIOKCWYFWDCDHU-WDEREUQCSA-N	-1	0	312.322	0.314	20	30		DCEDRM
COC(=O)C[C@@H](OC(=O)c1ccccc1OCC#N)C(=O)[O-]	ZINC001598871743	996740915	/nfs/dbraw/zinc/74/09/15/996740915.db2.gz	RYJMUSVBUQGZCC-LLVKDONJSA-N	-1	0	307.258	0.762	20	30		DCEDRM
C=C(CO)C(=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1	ZINC001466725073	1016106229	/nfs/dbraw/zinc/10/62/29/1016106229.db2.gz	PWMXLQDZGSALIL-SNVBAGLBSA-N	-1	0	311.704	0.746	20	30		DCEDRM
CO[C@@H]1CCOC[C@H]1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599323013	997614116	/nfs/dbraw/zinc/61/41/16/997614116.db2.gz	ZWJGDXPTIQUAEA-GHMZBOCLSA-N	-1	0	311.338	0.190	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@@H](C(=O)[O-])C1	ZINC001599122058	997756951	/nfs/dbraw/zinc/75/69/51/997756951.db2.gz	ZDJMBMBOVWUMQE-VXGBXAGGSA-N	-1	0	304.302	0.968	20	30		DCEDRM
COc1c(NC(=O)NCC(=O)NCC#N)cccc1C(=O)[O-]	ZINC001599340428	997913071	/nfs/dbraw/zinc/91/30/71/997913071.db2.gz	JYSIADWQZCXNQJ-UHFFFAOYSA-N	-1	0	306.278	0.155	20	30		DCEDRM
COCCN(Cc1ccc(C#N)cc1)Cn1cc(C(=O)[O-])nn1	ZINC001599238291	997987103	/nfs/dbraw/zinc/98/71/03/997987103.db2.gz	LFEWHFBPYGPMAS-UHFFFAOYSA-N	-1	0	315.333	0.954	20	30		DCEDRM
COCC#CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])CC2	ZINC001599138847	998092140	/nfs/dbraw/zinc/09/21/40/998092140.db2.gz	QFUGPTPYJRYCNV-ZIAGYGMSSA-N	-1	0	320.389	0.281	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N[C@H](C)CC#N	ZINC001599367462	998358144	/nfs/dbraw/zinc/35/81/44/998358144.db2.gz	GKGZCYKLBVCLFQ-MRVPVSSYSA-N	-1	0	305.290	0.750	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC001594141549	998445028	/nfs/dbraw/zinc/44/50/28/998445028.db2.gz	KRKGPVAADPJSIN-UWVGGRQHSA-N	-1	0	319.321	0.057	20	30		DCEDRM
COC(=O)c1cccc(CN2C[C@H](O)C[C@H](C(=O)[O-])C2)c1C#N	ZINC001598996541	998784771	/nfs/dbraw/zinc/78/47/71/998784771.db2.gz	UYXGSFYNPYEMPE-NWDGAFQWSA-N	-1	0	318.329	0.612	20	30		DCEDRM
COC(=O)c1cccc(CN2CCC[C@@H](O)[C@H]2C(=O)[O-])c1C#N	ZINC001598996593	998785807	/nfs/dbraw/zinc/78/58/07/998785807.db2.gz	WEFFRZJYJNODAD-KGLIPLIRSA-N	-1	0	318.329	0.755	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@H]1C	ZINC001511287151	1016247757	/nfs/dbraw/zinc/24/77/57/1016247757.db2.gz	VLJUNMCJYHKLDG-KOLCDFICSA-N	-1	0	322.365	0.346	20	30		DCEDRM
C[C@H]1C[C@@H]1c1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n[nH]1	ZINC001469428600	1016334464	/nfs/dbraw/zinc/33/44/64/1016334464.db2.gz	LFIBFLYCMOJSII-CBAPKCEASA-N	-1	0	314.305	0.306	20	30		DCEDRM
CC(=O)CCC(C)(C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001418536316	1000324280	/nfs/dbraw/zinc/32/42/80/1000324280.db2.gz	MDPCTUZQDVUBBO-UHFFFAOYSA-N	-1	0	320.349	0.332	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CC(F)(F)C(F)F)c(=O)[n-]c1=O	ZINC001470365224	1016424560	/nfs/dbraw/zinc/42/45/60/1016424560.db2.gz	GWVSUZVUTZLUCP-UHFFFAOYSA-N	-1	0	322.218	0.227	20	30		DCEDRM
C=C(Cl)CN(C)C[C@@H](C)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001401792159	1000732150	/nfs/dbraw/zinc/73/21/50/1000732150.db2.gz	JGPSSRQXKDVZNJ-SNVBAGLBSA-N	-1	0	323.784	0.825	20	30		DCEDRM
Cn1c(=O)[n-]c(SCC(=O)OC2CCCCC2)c(C#N)c1=O	ZINC001421124321	1003347200	/nfs/dbraw/zinc/34/72/00/1003347200.db2.gz	VDRNDEYDHZUPNO-UHFFFAOYSA-N	-1	0	323.374	0.913	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H](O)Cc2ccccc2F)c(C#N)c1=O	ZINC001421248324	1003480958	/nfs/dbraw/zinc/48/09/58/1003480958.db2.gz	SLRUGHGWNBZSMB-JTQLQIEISA-N	-1	0	318.308	0.100	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[nH]1	ZINC001505983280	1016822099	/nfs/dbraw/zinc/82/20/99/1016822099.db2.gz	ADVWXNJAXAOBAG-VXGBXAGGSA-N	-1	0	309.414	0.647	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2ccc(CO)cc2)c(C#N)c1=O	ZINC001472742289	1016850995	/nfs/dbraw/zinc/85/09/95/1016850995.db2.gz	UOMAWMYCKKGOLV-UHFFFAOYSA-N	-1	0	300.318	0.092	20	30		DCEDRM
CC(=O)c1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001417600673	1005849279	/nfs/dbraw/zinc/84/92/79/1005849279.db2.gz	YVPPCJAFXCVXMR-UHFFFAOYSA-N	-1	0	312.285	0.662	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2Cc3ccccc32)c(=O)[n-]c1=O	ZINC001417614890	1005851987	/nfs/dbraw/zinc/85/19/87/1005851987.db2.gz	STLDIZWEDPHTRZ-NSHDSACASA-N	-1	0	310.313	0.277	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417660999	1005862542	/nfs/dbraw/zinc/86/25/42/1005862542.db2.gz	SSVRIZRTACAKFX-UHFFFAOYSA-N	-1	0	309.285	0.639	20	30		DCEDRM
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCc1nnn[n-]1	ZINC001418367107	1006432395	/nfs/dbraw/zinc/43/23/95/1006432395.db2.gz	INDYZBQAMNPYNZ-GFCCVEGCSA-N	-1	0	300.322	0.196	20	30		DCEDRM
C=C[C@@H](C(=O)N1CCC(O)(c2nnn[n-]2)CC1)c1ccccc1	ZINC001520154082	1017253348	/nfs/dbraw/zinc/25/33/48/1017253348.db2.gz	WTDLOBFWCSOYNW-CYBMUJFWSA-N	-1	0	313.361	0.980	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H](F)c2ccccc2)c(=O)[n-]c1=O	ZINC001453839799	1008753382	/nfs/dbraw/zinc/75/33/82/1008753382.db2.gz	CWJWAUZXFFYHBN-GFCCVEGCSA-N	-1	0	316.292	0.648	20	30		DCEDRM
CNC(=O)[C@H]1CCCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001421612466	1008802864	/nfs/dbraw/zinc/80/28/64/1008802864.db2.gz	FVJDRNPDAONODK-GFCCVEGCSA-N	-1	0	314.349	0.407	20	30		DCEDRM
CC[C@H](C)[C@H](NCc1cc(=O)n2[n-]cc(C#N)c2n1)C(=O)OC	ZINC001421652657	1008877160	/nfs/dbraw/zinc/87/71/60/1008877160.db2.gz	WCEXRSLVOSIVCU-ZANVPECISA-N	-1	0	317.349	0.984	20	30		DCEDRM
Cc1occc1CN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001433631359	1009021634	/nfs/dbraw/zinc/02/16/34/1009021634.db2.gz	SNRVRBLZGPILDF-UHFFFAOYSA-N	-1	0	302.290	0.381	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccsc1	ZINC001433939525	1009377103	/nfs/dbraw/zinc/37/71/03/1009377103.db2.gz	NPSYRGOZGLHXCZ-MRVPVSSYSA-N	-1	0	304.331	0.759	20	30		DCEDRM
Cn1ncc(Br)c1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001434125996	1009594286	/nfs/dbraw/zinc/59/42/86/1009594286.db2.gz	KVANHIOLBZLMQA-UHFFFAOYSA-N	-1	0	320.110	0.901	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CC(N)=O)C1CCCC1	ZINC001443550413	1010488274	/nfs/dbraw/zinc/48/82/74/1010488274.db2.gz	ZKHREZXPGJBCNM-UHFFFAOYSA-N	-1	0	302.334	0.837	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC2(CNC(=O)C2)CC1	ZINC001445058971	1011365155	/nfs/dbraw/zinc/36/51/55/1011365155.db2.gz	PMJLXIOLJJCTAZ-UHFFFAOYSA-N	-1	0	314.345	0.710	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@@]1(C)CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001423681707	1011416310	/nfs/dbraw/zinc/41/63/10/1011416310.db2.gz	LGLLCVZQKHUYRT-QMTHXVAHSA-N	-1	0	306.370	0.388	20	30		DCEDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N(O)Cc1ccc(F)cc1	ZINC001458015994	1012035476	/nfs/dbraw/zinc/03/54/76/1012035476.db2.gz	HUFRUEXADQQRHX-UHFFFAOYSA-N	-1	0	317.280	0.628	20	30		DCEDRM
COc1ccc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1O	ZINC001458571618	1012219750	/nfs/dbraw/zinc/21/97/50/1012219750.db2.gz	YJEJEFMWUJYPSU-UHFFFAOYSA-N	-1	0	316.317	0.314	20	30		DCEDRM
N#Cc1c[nH]c2cc(C(=O)N3CCOC[C@H]3c3nnn[n-]3)ccc12	ZINC001557850039	1012304141	/nfs/dbraw/zinc/30/41/41/1012304141.db2.gz	ASSWYQKMIPRDCT-ZDUSSCGKSA-N	-1	0	323.316	0.766	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C=Cc3ccc[nH]3)C2)c(=O)[n-]c1=O	ZINC001558806535	1012384507	/nfs/dbraw/zinc/38/45/07/1012384507.db2.gz	SKDITUVDXPDABR-ONEGZZNKSA-N	-1	0	311.301	0.245	20	30		DCEDRM
COc1ccccc1OCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001559050717	1012403976	/nfs/dbraw/zinc/40/39/76/1012403976.db2.gz	RDIVYMGQTKLRAR-UHFFFAOYSA-N	-1	0	316.317	0.445	20	30		DCEDRM
Cn1c2ccccc2cc(Cn2c(=O)[n-]cc(C#N)c2=O)c1=O	ZINC001559428450	1012421698	/nfs/dbraw/zinc/42/16/98/1012421698.db2.gz	IMMZDZVHHIUUQC-UHFFFAOYSA-N	-1	0	308.297	0.308	20	30		DCEDRM
CCCN(CC(=O)NC)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001459350469	1012679695	/nfs/dbraw/zinc/67/96/95/1012679695.db2.gz	XUYUCELNWCRQNH-UHFFFAOYSA-N	-1	0	302.338	0.265	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@H]2[C@@H](C1)C2(F)F	ZINC001520453348	1017277458	/nfs/dbraw/zinc/27/74/58/1017277458.db2.gz	MBDRZQRXTFEHSJ-OCAPTIKFSA-N	-1	0	308.292	0.389	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2(CNC(=O)[C@@H](C)C#N)CCCC2)c1[O-]	ZINC001499463139	1017943253	/nfs/dbraw/zinc/94/32/53/1017943253.db2.gz	GSIVMGGLLCETSV-VIFPVBQESA-N	-1	0	319.365	0.742	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2(CNC(=O)[C@H](C)C#N)CCCC2)c1[O-]	ZINC001499463137	1017943779	/nfs/dbraw/zinc/94/37/79/1017943779.db2.gz	GSIVMGGLLCETSV-SECBINFHSA-N	-1	0	319.365	0.742	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001479959309	1018051039	/nfs/dbraw/zinc/05/10/39/1018051039.db2.gz	LTVHWBOFWFWYJB-NHYWBVRUSA-N	-1	0	323.397	0.430	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(N(C)C)nc2)c1C#N	ZINC000279698979	215070756	/nfs/dbraw/zinc/07/07/56/215070756.db2.gz	VQFHAIXIDLUTGR-UHFFFAOYSA-N	-1	0	306.351	0.852	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C(N)=O	ZINC000427314704	240357014	/nfs/dbraw/zinc/35/70/14/240357014.db2.gz	KXTAPPZLTOHIDG-UHFFFAOYSA-N	-1	0	323.309	0.629	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000273826682	238289949	/nfs/dbraw/zinc/28/99/49/238289949.db2.gz	VVNAYUPBPADXRK-SSDOTTSWSA-N	-1	0	302.333	0.359	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000420525370	240040030	/nfs/dbraw/zinc/04/00/30/240040030.db2.gz	FGKJKVXKYKMCEY-MNOVXSKESA-N	-1	0	317.345	0.915	20	30		DCEDRM
CCOC(=O)Nc1ccc(NC(=O)c2cc(=O)[nH][n-]2)cc1C#N	ZINC000493956105	241183278	/nfs/dbraw/zinc/18/32/78/241183278.db2.gz	KEHSIYAJMOQQFN-UHFFFAOYSA-N	-1	0	315.289	0.941	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)OCC)C1	ZINC000494590028	241205387	/nfs/dbraw/zinc/20/53/87/241205387.db2.gz	MBNXOYIDKRITJA-JTQLQIEISA-N	-1	0	304.368	0.487	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1	ZINC000275229867	212212010	/nfs/dbraw/zinc/21/20/10/212212010.db2.gz	JIDFYHNGXMHGGU-VIFPVBQESA-N	-1	0	304.274	0.945	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cncc(Cl)c1)C(=O)[O-]	ZINC000274989085	212060678	/nfs/dbraw/zinc/06/06/78/212060678.db2.gz	KOFLEKOAAWLXBU-JTQLQIEISA-N	-1	0	302.739	0.880	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)N2CCC[C@H]3CCCC[C@H]32)c1=O	ZINC000573722897	291650704	/nfs/dbraw/zinc/65/07/04/291650704.db2.gz	KHPCHKSGAUBEPX-DGCLKSJQSA-N	-1	0	316.361	0.589	20	30		DCEDRM
C[C@@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)[C@@H]1C(=O)[O-]	ZINC000315086622	296399865	/nfs/dbraw/zinc/39/98/65/296399865.db2.gz	DVJZDVHYLJOBNF-SKDRFNHKSA-N	-1	0	309.347	0.827	20	30		DCEDRM
N#Cc1nc(NC(=O)CNC(=O)c2ccc(F)cc2)[n-]c1C#N	ZINC000026269298	395694332	/nfs/dbraw/zinc/69/43/32/395694332.db2.gz	BUNUJVDZNDJMNQ-UHFFFAOYSA-N	-1	0	312.264	0.661	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)CC(=O)[O-]	ZINC000230327121	395880716	/nfs/dbraw/zinc/88/07/16/395880716.db2.gz	YYBIPXCYXOUCQS-SSDOTTSWSA-N	-1	0	304.349	0.388	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)Cc2ccc3c(c2)CCO3)n[n-]1	ZINC000064347926	395986122	/nfs/dbraw/zinc/98/61/22/395986122.db2.gz	FDEVNUYTCPJJNG-UHFFFAOYSA-N	-1	0	322.346	0.974	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000159699255	396070589	/nfs/dbraw/zinc/07/05/89/396070589.db2.gz	AIUHEARQJCVYJY-ZDUSSCGKSA-N	-1	0	309.347	0.829	20	30		DCEDRM
COCC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000261988274	396087673	/nfs/dbraw/zinc/08/76/73/396087673.db2.gz	SONGYDXWRINOTF-CMPLNLGQSA-N	-1	0	306.318	0.931	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1n[nH]cc1C#N	ZINC000185633714	396331786	/nfs/dbraw/zinc/33/17/86/396331786.db2.gz	OOFNTQGFZRKHJT-UHFFFAOYSA-N	-1	0	303.303	0.962	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C	ZINC000594675946	396496589	/nfs/dbraw/zinc/49/65/89/396496589.db2.gz	WYQPLBKTUWZNHX-JTQLQIEISA-N	-1	0	305.400	0.755	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000594684942	396497318	/nfs/dbraw/zinc/49/73/18/396497318.db2.gz	QHHNQGYWYJGWCH-BXUZGUMPSA-N	-1	0	322.342	0.280	20	30		DCEDRM
CCOC[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000290912650	396475465	/nfs/dbraw/zinc/47/54/65/396475465.db2.gz	GOOZGHYMXLVOGS-GFCCVEGCSA-N	-1	0	312.347	0.467	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)C(=O)NCC1CCC(C#N)CC1)C(=O)[O-]	ZINC000594530078	396484499	/nfs/dbraw/zinc/48/44/99/396484499.db2.gz	QHMAPVTXCPRXFJ-WXRRBKDZSA-N	-1	0	323.393	0.906	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)C(=O)[O-]	ZINC000594541019	396485683	/nfs/dbraw/zinc/48/56/83/396485683.db2.gz	VXYMDIPIOFTCLD-CYBMUJFWSA-N	-1	0	317.345	0.647	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCSCC(=O)[O-])cc1F	ZINC000291890824	396518184	/nfs/dbraw/zinc/51/81/84/396518184.db2.gz	OQUUSWXVAXXOGS-UHFFFAOYSA-N	-1	0	318.351	0.793	20	30		DCEDRM
N#CCCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1	ZINC000581109595	396526670	/nfs/dbraw/zinc/52/66/70/396526670.db2.gz	CRMAMINTSRLQGK-PWSUYJOCSA-N	-1	0	302.352	0.043	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H](C)c1cnn(C)c1C)C(=O)[O-]	ZINC000581407131	396551705	/nfs/dbraw/zinc/55/17/05/396551705.db2.gz	XIOIZKPSIJEISC-SKDRFNHKSA-N	-1	0	310.354	0.745	20	30		DCEDRM
N#Cc1sccc1N1CCN(C(=O)NCCC(=O)[O-])CC1	ZINC000595263820	396574829	/nfs/dbraw/zinc/57/48/29/396574829.db2.gz	URMMKGHGRUDEBO-UHFFFAOYSA-N	-1	0	308.363	0.926	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2cc(C#N)ncn2)C1=O	ZINC000561087861	396629043	/nfs/dbraw/zinc/62/90/43/396629043.db2.gz	SXWNYZOKJQVANY-CMPLNLGQSA-N	-1	0	303.322	0.470	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)c(F)c1	ZINC000586660624	396662303	/nfs/dbraw/zinc/66/23/03/396662303.db2.gz	HMTFNFRYLKJCMS-UHFFFAOYSA-N	-1	0	309.282	0.320	20	30		DCEDRM
CCNc1ccc(C#N)cc1NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000586797056	396666410	/nfs/dbraw/zinc/66/64/10/396666410.db2.gz	JPDAPVPZNJHNGM-UHFFFAOYSA-N	-1	0	300.278	0.839	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000313307648	396769788	/nfs/dbraw/zinc/76/97/88/396769788.db2.gz	AGROKFNRDIWIGG-UHFFFAOYSA-N	-1	0	308.315	0.297	20	30		DCEDRM
COC[C@@](C)(O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000611023510	396808267	/nfs/dbraw/zinc/80/82/67/396808267.db2.gz	DNNNLOSYDFODBD-LBPRGKRZSA-N	-1	0	320.317	0.512	20	30		DCEDRM
C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1cccc(C#N)c1	ZINC000591459243	396923722	/nfs/dbraw/zinc/92/37/22/396923722.db2.gz	SWVSCCQLMUILSD-GWCFXTLKSA-N	-1	0	315.329	0.669	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000597382758	396958327	/nfs/dbraw/zinc/95/83/27/396958327.db2.gz	USYKXOINPSFEGE-AWEZNQCLSA-N	-1	0	302.290	0.688	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-]	ZINC000630318586	396984839	/nfs/dbraw/zinc/98/48/39/396984839.db2.gz	JOOVUIYJEHPGRY-ZDUSSCGKSA-N	-1	0	304.346	0.881	20	30		DCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(CC#N)c1	ZINC000619471397	397135462	/nfs/dbraw/zinc/13/54/62/397135462.db2.gz	NOACGUUZWFOXPT-GFCCVEGCSA-N	-1	0	312.347	0.473	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)NCc1ccc(CC#N)cc1)C(=O)[O-]	ZINC000592441013	397179596	/nfs/dbraw/zinc/17/95/96/397179596.db2.gz	YMGHPODWJRUHFW-NSHDSACASA-N	-1	0	317.345	0.548	20	30		DCEDRM
C=CCn1cc(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nn1	ZINC000626767605	397235365	/nfs/dbraw/zinc/23/53/65/397235365.db2.gz	AGWIVRGSOUAHKV-CMPLNLGQSA-N	-1	0	307.354	0.716	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)c1	ZINC000574112563	397238187	/nfs/dbraw/zinc/23/81/87/397238187.db2.gz	URKBCRJQKVOZJZ-UHFFFAOYSA-N	-1	0	321.318	0.572	20	30		DCEDRM
C[C@@H]1C[C@@H](C)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602026931	397286377	/nfs/dbraw/zinc/28/63/77/397286377.db2.gz	PTCXZWUGBDQJGD-GHMZBOCLSA-N	-1	0	304.350	0.715	20	30		DCEDRM
CN(CC1CCCC1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602085367	397295929	/nfs/dbraw/zinc/29/59/29/397295929.db2.gz	LOVBMVRDJUUVBI-UHFFFAOYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000593269817	397346272	/nfs/dbraw/zinc/34/62/72/397346272.db2.gz	PTKPZMSZTFOKAR-NSHDSACASA-N	-1	0	319.383	0.032	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N(CCO)CCC(=O)[O-])cc1	ZINC000593270197	397346290	/nfs/dbraw/zinc/34/62/90/397346290.db2.gz	XJZFFJGWGKBSOS-UHFFFAOYSA-N	-1	0	312.347	0.157	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000593269598	397346508	/nfs/dbraw/zinc/34/65/08/397346508.db2.gz	KHZOVOFBXFKIID-QWRGUYRKSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCCSC[C@H](C)C(=O)[O-]	ZINC000593273744	397347236	/nfs/dbraw/zinc/34/72/36/397347236.db2.gz	NCVRVHDEMNFMKH-UWVGGRQHSA-N	-1	0	323.440	0.366	20	30		DCEDRM
CC1(C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]2CCC[C@@H]21	ZINC000602155768	397326049	/nfs/dbraw/zinc/32/60/49/397326049.db2.gz	RITXQFPXFNOAQS-RYUDHWBXSA-N	-1	0	316.361	0.858	20	30		DCEDRM
N#Cc1cn(CC(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)c(=O)[n-]c1=O	ZINC000602158737	397327237	/nfs/dbraw/zinc/32/72/37/397327237.db2.gz	DXJTUMNWRWVQAP-JSGCOSHPSA-N	-1	0	314.345	0.468	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CC[C@@H](C3CCC3)C2)c(=O)[n-]c1=O	ZINC000602162817	397328775	/nfs/dbraw/zinc/32/87/75/397328775.db2.gz	SDFVGGPPMVTQRI-GFCCVEGCSA-N	-1	0	316.361	0.859	20	30		DCEDRM
C[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H](C)[C@H]1C	ZINC000602163526	397328861	/nfs/dbraw/zinc/32/88/61/397328861.db2.gz	JNZRXQPBUJUXGB-VWYCJHECSA-N	-1	0	304.350	0.714	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c(F)c1	ZINC000614384170	397429041	/nfs/dbraw/zinc/42/90/41/397429041.db2.gz	JDMJBSWMAXQWPQ-SNVBAGLBSA-N	-1	0	314.294	0.171	20	30		DCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)s1	ZINC000578403956	397431931	/nfs/dbraw/zinc/43/19/31/397431931.db2.gz	NFKRVLWGACEZTL-MRVPVSSYSA-N	-1	0	304.349	0.340	20	30		DCEDRM
CO[C@@H](C)c1nc(=NC(=O)N2CCN(CCC#N)CC2)s[n-]1	ZINC000603017803	397552356	/nfs/dbraw/zinc/55/23/56/397552356.db2.gz	PCAOALSEMZGSIJ-JTQLQIEISA-N	-1	0	324.410	0.731	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1[C@H](C(=O)[O-])CCC1(C)C	ZINC000579844749	397595190	/nfs/dbraw/zinc/59/51/90/397595190.db2.gz	LSDSWPZCCPFZKE-ZJUUUORDSA-N	-1	0	303.384	0.793	20	30		DCEDRM
COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(C#N)nc2)n1	ZINC000318665299	159006396	/nfs/dbraw/zinc/00/63/96/159006396.db2.gz	CNDUOSHCZHUGKG-UHFFFAOYSA-N	-1	0	321.318	0.561	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1	ZINC000408498132	160119700	/nfs/dbraw/zinc/11/97/00/160119700.db2.gz	JYPYGNHORVDKQJ-CYZMBNFOSA-N	-1	0	318.354	0.978	20	30		DCEDRM
N#CCNC(=O)C[N-]S(=O)(=O)c1c(F)cc(F)cc1F	ZINC000352512255	415203240	/nfs/dbraw/zinc/20/32/40/415203240.db2.gz	OBGACTUPEIECMD-UHFFFAOYSA-N	-1	0	307.253	0.022	20	30		DCEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cn(CC(N)=O)nn2)n1	ZINC000353899104	415687989	/nfs/dbraw/zinc/68/79/89/415687989.db2.gz	UEWSFJLOZRSKJQ-MRVPVSSYSA-N	-1	0	318.362	0.833	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1	ZINC000328840218	416133864	/nfs/dbraw/zinc/13/38/64/416133864.db2.gz	OAXWVMXFVKWGCK-VIFPVBQESA-N	-1	0	311.367	0.323	20	30		DCEDRM
C=CCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000346568853	416199229	/nfs/dbraw/zinc/19/92/29/416199229.db2.gz	SGSLWGTVOHJHSW-UHFFFAOYSA-N	-1	0	317.298	0.314	20	30		DCEDRM
CNC(=O)Cn1nc([N-]c2nccc(C#N)c2[N+](=O)[O-])cc1C	ZINC000348110843	416232104	/nfs/dbraw/zinc/23/21/04/416232104.db2.gz	ZALXNBLZVOAKIJ-UHFFFAOYSA-N	-1	0	315.293	0.856	20	30		DCEDRM
CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2c[nH]c(C#N)c2)c1	ZINC000359686771	416352931	/nfs/dbraw/zinc/35/29/31/416352931.db2.gz	WSFKENQOEJAXTK-UHFFFAOYSA-N	-1	0	320.330	0.752	20	30		DCEDRM
C#CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1CCCCC1	ZINC000491767204	416625107	/nfs/dbraw/zinc/62/51/07/416625107.db2.gz	IBLUMNCTEUSQLS-GFCCVEGCSA-N	-1	0	308.378	0.960	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(C#N)s2)c[nH]1	ZINC000610725199	416660759	/nfs/dbraw/zinc/66/07/59/416660759.db2.gz	MMBYEXNMAUEJGM-UHFFFAOYSA-N	-1	0	312.332	0.930	20	30		DCEDRM
COCCOCCS(=O)(=O)[N-]c1ccc(C#N)cc1OC	ZINC000545294176	416670776	/nfs/dbraw/zinc/67/07/76/416670776.db2.gz	YVAOQLORLBIHIU-UHFFFAOYSA-N	-1	0	314.363	0.972	20	30		DCEDRM
COC(=O)Cn1ccc(NC(=O)c2ccc(C#N)c([O-])c2)n1	ZINC000442638371	416698686	/nfs/dbraw/zinc/69/86/86/416698686.db2.gz	SHFYQPQWHRRZCX-UHFFFAOYSA-N	-1	0	300.274	0.886	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N[C@H](CC2CCC2)C(=O)[O-])c1	ZINC000558592959	416779826	/nfs/dbraw/zinc/77/98/26/416779826.db2.gz	SKUPEXZEOHHZFN-GFCCVEGCSA-N	-1	0	309.347	0.875	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CNC(=O)C2)c(F)c1	ZINC000444210020	416817725	/nfs/dbraw/zinc/81/77/25/416817725.db2.gz	FLDGZKLNKNYBLX-ZETCQYMHSA-N	-1	0	301.274	0.003	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC000562460395	416868199	/nfs/dbraw/zinc/86/81/99/416868199.db2.gz	ZGZXAEVJKUEXGN-USZNOCQGSA-N	-1	0	300.355	0.897	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000563572370	416884088	/nfs/dbraw/zinc/88/40/88/416884088.db2.gz	UGHXPJHTUOEEST-WDEREUQCSA-N	-1	0	303.384	0.509	20	30		DCEDRM
CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000565054792	416916030	/nfs/dbraw/zinc/91/60/30/416916030.db2.gz	DCRCGQKTFJTXHQ-GMTAPVOTSA-N	-1	0	303.384	0.650	20	30		DCEDRM
CO[C@@H](C)c1nc(=NC(=O)Nc2ccn(CCC#N)n2)s[n-]1	ZINC000565065540	416920972	/nfs/dbraw/zinc/92/09/72/416920972.db2.gz	VTNUABHPTQCMFB-QMMMGPOBSA-N	-1	0	321.366	1.422	20	30		DCEDRM
Cc1cc(S(=O)(=O)[N-]c2nc3ncccn3n2)ccc1C#N	ZINC000446820309	416952716	/nfs/dbraw/zinc/95/27/16/416952716.db2.gz	BGBICFPDXQAXCJ-UHFFFAOYSA-N	-1	0	314.330	1.105	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccc2c1OCC2)C(=O)[O-]	ZINC000521992201	417037957	/nfs/dbraw/zinc/03/79/57/417037957.db2.gz	ZIKLWDMOEAEFDV-NSHDSACASA-N	-1	0	309.343	0.766	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N(CC(=O)[O-])C1CCCC1	ZINC000566313645	417046497	/nfs/dbraw/zinc/04/64/97/417046497.db2.gz	LFVDUXKABUSUJM-JTQLQIEISA-N	-1	0	303.384	0.652	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N[C@H](C)CCCC(=O)[O-]	ZINC000567617717	417065647	/nfs/dbraw/zinc/06/56/47/417065647.db2.gz	RSGSCPWRVPVKJM-LLVKDONJSA-N	-1	0	321.399	0.326	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)c(C)c1)C(=O)[O-]	ZINC000569775160	417293434	/nfs/dbraw/zinc/29/34/34/417293434.db2.gz	UVUFLIBEQKJURH-ZDUSSCGKSA-N	-1	0	324.358	0.967	20	30		DCEDRM
N#Cc1cc(NCCN2c3ccccc3[N-]S2(=O)=O)ncn1	ZINC000572331126	417459266	/nfs/dbraw/zinc/45/92/66/417459266.db2.gz	XBGDEZOTGFGDAW-UHFFFAOYSA-N	-1	0	316.346	0.937	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	ZINC000646046995	417862761	/nfs/dbraw/zinc/86/27/61/417862761.db2.gz	ZVCULTATVOSIEO-LBPRGKRZSA-N	-1	0	320.411	0.741	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)Cc1cc(C)no1)C(=O)[O-]	ZINC000646046726	417862796	/nfs/dbraw/zinc/86/27/96/417862796.db2.gz	RDGHXYUFJFDCCC-SNVBAGLBSA-N	-1	0	304.324	0.058	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000649193341	418208234	/nfs/dbraw/zinc/20/82/34/418208234.db2.gz	CHBHWRRLCJKFTH-LLVKDONJSA-N	-1	0	310.375	0.562	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCCO[C@@H]1CC1(F)F)C(=O)[O-]	ZINC000656590317	418365243	/nfs/dbraw/zinc/36/52/43/418365243.db2.gz	AOYVQXCNQZKBDZ-RKDXNWHRSA-N	-1	0	308.281	0.366	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1	ZINC000358801528	267399985	/nfs/dbraw/zinc/39/99/85/267399985.db2.gz	SACHUJPEWXBJPT-UHFFFAOYSA-N	-1	0	319.346	0.349	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)[N-]O[C@@H]2CCCCO2)cc1	ZINC000263722749	268032433	/nfs/dbraw/zinc/03/24/33/268032433.db2.gz	FXCOXYMIVMSFCT-CQSZACIVSA-N	-1	0	303.318	0.862	20	30		DCEDRM
N#Cc1ccc(NCC(=O)Nc2n[nH]c(SCCO)n2)cc1	ZINC000355458095	268153466	/nfs/dbraw/zinc/15/34/66/268153466.db2.gz	ODPVPAMKEWUFOE-UHFFFAOYSA-N	-1	0	318.362	0.811	20	30		DCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C#N)ccc1C	ZINC000547907879	288090542	/nfs/dbraw/zinc/09/05/42/288090542.db2.gz	LDVPRGWQAVHLEM-NSHDSACASA-N	-1	0	312.347	0.587	20	30		DCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cc1C	ZINC000547909130	288091083	/nfs/dbraw/zinc/09/10/83/288091083.db2.gz	GWGAAAFMUUKYRT-LLVKDONJSA-N	-1	0	312.347	0.587	20	30		DCEDRM
N#C[C@H]1CSCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000342210451	303171176	/nfs/dbraw/zinc/17/11/76/303171176.db2.gz	SBMFYQOWFALRJN-QMMMGPOBSA-N	-1	0	317.330	0.517	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)C(=O)[O-]	ZINC000518528079	332074344	/nfs/dbraw/zinc/07/43/44/332074344.db2.gz	PLXQLUNIOGVVQR-GHMZBOCLSA-N	-1	0	307.368	0.131	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2cnn(CC(F)F)c2)n1	ZINC000188100003	333030163	/nfs/dbraw/zinc/03/01/63/333030163.db2.gz	WYBZXQWBTSMLJB-UHFFFAOYSA-N	-1	0	316.293	0.554	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)N1CCCC[C@@H]1C)C(=O)[O-]	ZINC000563078852	333342666	/nfs/dbraw/zinc/34/26/66/333342666.db2.gz	BLGYTYWAMFQXAF-WDEREUQCSA-N	-1	0	306.384	0.351	20	30		DCEDRM
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)C(=O)[O-])c1	ZINC000340235778	334153754	/nfs/dbraw/zinc/15/37/54/334153754.db2.gz	MINRTYDQCVHBEN-SECBINFHSA-N	-1	0	312.347	0.354	20	30		DCEDRM
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@H]2CNC(=O)C2)c1	ZINC000330748677	334807632	/nfs/dbraw/zinc/80/76/32/334807632.db2.gz	XUJXBJOGVGTHBC-SECBINFHSA-N	-1	0	311.363	0.560	20	30		DCEDRM
C=C(C)COCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000572153442	337594009	/nfs/dbraw/zinc/59/40/09/337594009.db2.gz	XBZIBGITZLQFTR-UHFFFAOYSA-N	-1	0	300.336	0.651	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000422719662	337684215	/nfs/dbraw/zinc/68/42/15/337684215.db2.gz	MBROOXLHGCGDAG-QWRGUYRKSA-N	-1	0	314.407	0.591	20	30		DCEDRM
C=CCN(CCc1ccco1)C(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000422870459	337689341	/nfs/dbraw/zinc/68/93/41/337689341.db2.gz	BSVZNIXNTGPCRN-UHFFFAOYSA-N	-1	0	308.334	0.770	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000422892086	337690437	/nfs/dbraw/zinc/69/04/37/337690437.db2.gz	MBCZGQCZFRIWTB-VXGBXAGGSA-N	-1	0	312.366	0.217	20	30		DCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000515304326	337985131	/nfs/dbraw/zinc/98/51/31/337985131.db2.gz	VYUJCAVKOUTFAG-SSDOTTSWSA-N	-1	0	313.291	0.731	20	30		DCEDRM
C=CCOC[C@H](NC(=O)/C=C\c1cncc(OC)c1)C(=O)[O-]	ZINC000493030088	339915394	/nfs/dbraw/zinc/91/53/94/339915394.db2.gz	WOTGONQFNCJFCY-ZFDPJTLLSA-N	-1	0	306.318	0.875	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1CN(C(=O)OC(C)(C)C)C1	ZINC000495033632	339970849	/nfs/dbraw/zinc/97/08/49/339970849.db2.gz	XECJRJLQITWGCS-UHFFFAOYSA-N	-1	0	304.368	0.485	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCc2cccc(C(=O)[O-])c2C1	ZINC000530140527	340780719	/nfs/dbraw/zinc/78/07/19/340780719.db2.gz	LQSGTWXXUPWASE-UHFFFAOYSA-N	-1	0	323.374	0.833	20	30		DCEDRM
C[C@H]1CC[C@@](CNS(=O)(=O)N(C)CCC#N)(CC(=O)[O-])C1	ZINC000548212162	341252772	/nfs/dbraw/zinc/25/27/72/341252772.db2.gz	KCDWDWQUBJDLSM-AAEUAGOBSA-N	-1	0	317.411	0.947	20	30		DCEDRM
COCCN(CCC(=O)[O-])S(=O)(=O)CC1(C#N)CCCC1	ZINC000548242018	341252969	/nfs/dbraw/zinc/25/29/69/341252969.db2.gz	ABIFRAJMVUYLPS-UHFFFAOYSA-N	-1	0	318.395	0.823	20	30		DCEDRM
CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000567356413	341598231	/nfs/dbraw/zinc/59/82/31/341598231.db2.gz	KMFAFDHXUIRAMG-GARJFASQSA-N	-1	0	305.400	0.896	20	30		DCEDRM
C=CCCCN1CCOC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001570062765	1161404596	/nfs/dbraw/zinc/40/45/96/1161404596.db2.gz	QNKDFEYZSQSXMS-LBPRGKRZSA-N	-1	0	308.382	0.821	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000262412919	534562581	/nfs/dbraw/zinc/56/25/81/534562581.db2.gz	LRZXWYRMBBFAFT-LBPRGKRZSA-N	-1	0	308.359	0.905	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnc2c(c1)c(C)nn2C)C(=O)[O-]	ZINC000262902162	526792156	/nfs/dbraw/zinc/79/21/56/526792156.db2.gz	DSHOGNLSOOGSBI-GFCCVEGCSA-N	-1	0	318.333	0.662	20	30		DCEDRM
C=CCC[C@@H](NC(=O)c1sccc1-n1cnnn1)C(=O)[O-]	ZINC000262866822	527446223	/nfs/dbraw/zinc/44/62/23/527446223.db2.gz	JEZPUSNVAJDHKE-MRVPVSSYSA-N	-1	0	307.335	0.873	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000263247364	528383649	/nfs/dbraw/zinc/38/36/49/528383649.db2.gz	SJOVSGZGSXDGAB-GHMZBOCLSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000672218397	547331007	/nfs/dbraw/zinc/33/10/07/547331007.db2.gz	NEDKPWHGAQNMEP-UHFFFAOYSA-N	-1	0	320.305	0.587	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2nn[nH]n2)nc1	ZINC000737673947	599152659	/nfs/dbraw/zinc/15/26/59/599152659.db2.gz	SRYCAQKBSKBKKU-JTQLQIEISA-N	-1	0	311.305	0.207	20	30		DCEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCC(=O)[O-])c1	ZINC000746375938	597008271	/nfs/dbraw/zinc/00/82/71/597008271.db2.gz	ZESSLOWTOGMGQT-UHFFFAOYSA-N	-1	0	324.358	0.145	20	30		DCEDRM
N#CC(C(=O)CSCC(=O)[O-])c1nnc2n1CCCCC2	ZINC000740304374	597105943	/nfs/dbraw/zinc/10/59/43/597105943.db2.gz	UQJVKLXQNODBBU-SECBINFHSA-N	-1	0	308.363	0.999	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](CC)C(=O)[O-]	ZINC000817675337	597222016	/nfs/dbraw/zinc/22/20/16/597222016.db2.gz	PAZFMGZVMJWOSH-SNVBAGLBSA-N	-1	0	322.292	0.756	20	30		DCEDRM
COc1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C#N	ZINC000820836648	597347707	/nfs/dbraw/zinc/34/77/07/597347707.db2.gz	BJLYZYQHYNKDPM-CYBMUJFWSA-N	-1	0	319.317	0.562	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000817756945	597463157	/nfs/dbraw/zinc/46/31/57/597463157.db2.gz	GCOABQCKXPOMBO-VIFPVBQESA-N	-1	0	313.317	0.871	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)C(=O)[O-]	ZINC000817675329	597515547	/nfs/dbraw/zinc/51/55/47/597515547.db2.gz	OFNXHIJWKKTDMF-MRVPVSSYSA-N	-1	0	308.265	0.366	20	30		DCEDRM
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000819875596	597610839	/nfs/dbraw/zinc/61/08/39/597610839.db2.gz	ZKICUTGJIJQODK-SNVBAGLBSA-N	-1	0	319.317	0.897	20	30		DCEDRM
CN(CC(F)(F)F)C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820574335	597620351	/nfs/dbraw/zinc/62/03/51/597620351.db2.gz	ROUZBNPHBLEDPN-JTQLQIEISA-N	-1	0	310.228	0.555	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])C1CC1	ZINC000819864655	597624589	/nfs/dbraw/zinc/62/45/89/597624589.db2.gz	ALUGOAZMHWMYDX-KBPBESRZSA-N	-1	0	307.306	0.343	20	30		DCEDRM
Cn1cc(CN2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)cn1	ZINC000821288110	597646414	/nfs/dbraw/zinc/64/64/14/597646414.db2.gz	ZUCMEDTVNZACRV-HNNXBMFYSA-N	-1	0	319.365	0.069	20	30		DCEDRM
COC(=O)[C@@H]1CC12CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000820653658	597647564	/nfs/dbraw/zinc/64/75/64/597647564.db2.gz	QHRZDMXJSQQHNN-IINYFYTJSA-N	-1	0	308.334	0.793	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCN(c2cccnn2)C1	ZINC000819822511	597648299	/nfs/dbraw/zinc/64/82/99/597648299.db2.gz	OMUGSMPGVTVJPJ-XHDPSFHLSA-N	-1	0	317.349	0.566	20	30		DCEDRM
Cc1nc([C@@H]2CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO2)n[nH]1	ZINC000821152515	597652093	/nfs/dbraw/zinc/65/20/93/597652093.db2.gz	DGZFYMBRKDRNDG-ZANVPECISA-N	-1	0	307.310	0.018	20	30		DCEDRM
CCOc1ncnc2c1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000820391693	597654688	/nfs/dbraw/zinc/65/46/88/597654688.db2.gz	HMSSTZMILPWOML-OAHLLOKOSA-N	-1	0	318.333	0.765	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](CO)Cc1ccccc1	ZINC000819833278	597655089	/nfs/dbraw/zinc/65/50/89/597655089.db2.gz	FRMMDZIWDJIUSS-XJKSGUPXSA-N	-1	0	304.346	0.958	20	30		DCEDRM
C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820245337	597655833	/nfs/dbraw/zinc/65/58/33/597655833.db2.gz	MPQWQJINMPCHHF-XAGWURHQSA-N	-1	0	321.377	0.754	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)NCCCCC(=O)[O-]	ZINC000820814719	598171774	/nfs/dbraw/zinc/17/17/74/598171774.db2.gz	JAXKFCMSVDTJCB-UHFFFAOYSA-N	-1	0	319.317	0.876	20	30		DCEDRM
CC(C)[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])N1CCOCC1	ZINC000819962176	598223185	/nfs/dbraw/zinc/22/31/85/598223185.db2.gz	KKZFSOLAXCYRAV-WFASDCNBSA-N	-1	0	311.382	0.464	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCN1c2ccccc2CC1=O	ZINC000819835694	598225955	/nfs/dbraw/zinc/22/59/55/598225955.db2.gz	WYSJVBVCAPIZMS-INIZCTEOSA-N	-1	0	315.329	0.696	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc3nccn3c2)[n-]c1-c1nn[nH]n1	ZINC000737705158	598607903	/nfs/dbraw/zinc/60/79/03/598607903.db2.gz	LFOCMBUUSVOOHZ-UHFFFAOYSA-N	-1	0	320.276	0.361	20	30		DCEDRM
Cc1oc(C=NNc2nc3[nH][nH]cc-3c(=O)n2)cc1C(=O)[O-]	ZINC000738970978	599886907	/nfs/dbraw/zinc/88/69/07/599886907.db2.gz	ZQDAYJVOQGCLKU-UHFFFAOYSA-N	-1	0	302.250	0.478	20	30		DCEDRM
CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1csnn1	ZINC000736126253	599987320	/nfs/dbraw/zinc/98/73/20/599987320.db2.gz	MYKDUTKGDZRNFU-SNVBAGLBSA-N	-1	0	322.346	0.942	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CCO1	ZINC000388001085	599995805	/nfs/dbraw/zinc/99/58/05/599995805.db2.gz	DWVUVIJLCMGUIS-ZDUSSCGKSA-N	-1	0	303.318	0.861	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC000739102483	599997504	/nfs/dbraw/zinc/99/75/04/599997504.db2.gz	XVCJIHZUWGJPKC-LBPRGKRZSA-N	-1	0	301.302	0.221	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000738425333	600041117	/nfs/dbraw/zinc/04/11/17/600041117.db2.gz	GGMMIFQGOUQFGL-CYBMUJFWSA-N	-1	0	319.317	0.584	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CC(=O)NCc2cccnc2)c1=O	ZINC000739092779	600122706	/nfs/dbraw/zinc/12/27/06/600122706.db2.gz	JTMKPRMBSXRXMW-UHFFFAOYSA-N	-1	0	312.285	0.130	20	30		DCEDRM
N#CCN1CCC(NS(=O)(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC000738427238	600169304	/nfs/dbraw/zinc/16/93/04/600169304.db2.gz	YFOLPHZKBYDUHG-UHFFFAOYSA-N	-1	0	323.374	0.651	20	30		DCEDRM
N#CCOc1ccccc1C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000739091676	600183951	/nfs/dbraw/zinc/18/39/51/600183951.db2.gz	ILKALSKKQMFKHI-UHFFFAOYSA-N	-1	0	301.262	0.586	20	30		DCEDRM
C=CCn1c(N)nnc1SCc1noc(CCC(=O)[O-])n1	ZINC000736116516	600186089	/nfs/dbraw/zinc/18/60/89/600186089.db2.gz	BTINOYCMAFGCGT-UHFFFAOYSA-N	-1	0	310.339	0.739	20	30		DCEDRM
C[C@H](CC(=O)[O-])S(=O)(=O)CC(=O)NCc1ccc(C#N)cc1	ZINC000736551099	600191174	/nfs/dbraw/zinc/19/11/74/600191174.db2.gz	UDFKBPYDKANRSC-SNVBAGLBSA-N	-1	0	324.358	0.452	20	30		DCEDRM
C[C@@H](CC(=O)[O-])S(=O)(=O)CC(=O)NCc1cccc(C#N)c1	ZINC000736548721	600193985	/nfs/dbraw/zinc/19/39/85/600193985.db2.gz	DTDSHQNKTIPCAE-JTQLQIEISA-N	-1	0	324.358	0.452	20	30		DCEDRM
Cc1[nH]nc(S(=O)(=O)NCc2cccc(C#N)c2)c1C(=O)[O-]	ZINC000738829966	600232707	/nfs/dbraw/zinc/23/27/07/600232707.db2.gz	WIHWIVLGUGBEHK-UHFFFAOYSA-N	-1	0	320.330	0.767	20	30		DCEDRM
COC(=O)C[C@@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC000737596494	600243384	/nfs/dbraw/zinc/24/33/84/600243384.db2.gz	GHYQVEVZNMFJIM-LLVKDONJSA-N	-1	0	305.290	0.103	20	30		DCEDRM
CC(C)(C)OC(=O)NCCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000736283730	600377807	/nfs/dbraw/zinc/37/78/07/600377807.db2.gz	OIDYYUVSMUKALZ-UHFFFAOYSA-N	-1	0	307.306	0.943	20	30		DCEDRM
C[C@@H]1Oc2ccccc2N(CC(=O)N(CC#N)CC(=O)[O-])C1=O	ZINC000736833565	600400790	/nfs/dbraw/zinc/40/07/90/600400790.db2.gz	GNKBVDDIMWFWLE-JTQLQIEISA-N	-1	0	317.301	0.237	20	30		DCEDRM
COC(=O)CN(CC#N)C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000737602921	600402324	/nfs/dbraw/zinc/40/23/24/600402324.db2.gz	BBPOFNMOJMHQAG-UHFFFAOYSA-N	-1	0	306.274	0.289	20	30		DCEDRM
COC(=O)CN(CC#N)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000737606380	600405190	/nfs/dbraw/zinc/40/51/90/600405190.db2.gz	ZQEQVUSDPARSQZ-UHFFFAOYSA-N	-1	0	321.245	0.432	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)COc1ccc2ccc(=O)oc2c1	ZINC000739079011	600408151	/nfs/dbraw/zinc/40/81/51/600408151.db2.gz	OVWHMEBHHFJGPX-UHFFFAOYSA-N	-1	0	316.269	0.609	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCN1Cc1ccccc1	ZINC000739070347	600412720	/nfs/dbraw/zinc/41/27/20/600412720.db2.gz	ZLNJRMBUIWFXDS-KFWWJZLASA-N	-1	0	313.357	0.944	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)COc1ccc(C#N)cc1	ZINC000737788926	600620008	/nfs/dbraw/zinc/62/00/08/600620008.db2.gz	JTSMAYZQNMEATO-UHFFFAOYSA-N	-1	0	306.318	0.887	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1NC1CCN(C(=O)[O-])CC1	ZINC000738431320	600810308	/nfs/dbraw/zinc/81/03/08/600810308.db2.gz	WSYZMTIFZTYFAE-UHFFFAOYSA-N	-1	0	324.362	0.760	20	30		DCEDRM
C[C@](C#N)(NC(=O)CN(CC(=O)[O-])C1CCOCC1)C1CC1	ZINC000825966393	600853566	/nfs/dbraw/zinc/85/35/66/600853566.db2.gz	BNHDKXWYBFDSAL-OAHLLOKOSA-N	-1	0	309.366	0.360	20	30		DCEDRM
COC(=O)CN(CCC(=O)Nc1cccc(C#N)c1)CC(=O)[O-]	ZINC000831175224	600996969	/nfs/dbraw/zinc/99/69/69/600996969.db2.gz	JSPAGUGGUDUFGS-UHFFFAOYSA-N	-1	0	319.317	0.446	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCCc1ccc(Cl)cc1	ZINC000833067014	601002836	/nfs/dbraw/zinc/00/28/36/601002836.db2.gz	NNVLUTYDMUJKIL-UHFFFAOYSA-N	-1	0	309.753	0.909	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2	ZINC000739077091	601020376	/nfs/dbraw/zinc/02/03/76/601020376.db2.gz	HJSRDTNVBRERBY-VXGBXAGGSA-N	-1	0	316.313	0.998	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCOC[C@@H]1C#N	ZINC000832917224	601042048	/nfs/dbraw/zinc/04/20/48/601042048.db2.gz	RQWFFGYPQZYEHG-LBPRGKRZSA-N	-1	0	303.318	0.856	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)CCC#N	ZINC000826807113	601119961	/nfs/dbraw/zinc/11/99/61/601119961.db2.gz	MYGLUBACWCWNKH-GHMZBOCLSA-N	-1	0	313.354	0.972	20	30		DCEDRM
COc1cc(C(=O)[O-])sc1S(=O)(=O)N(CC#N)CC#N	ZINC000831924026	601214585	/nfs/dbraw/zinc/21/45/85/601214585.db2.gz	ZCNZCBSLAGMJQK-UHFFFAOYSA-N	-1	0	315.332	0.493	20	30		DCEDRM
C=CC[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccncc1	ZINC000825665110	601286711	/nfs/dbraw/zinc/28/67/11/601286711.db2.gz	URBYANMHUSZOBQ-LLVKDONJSA-N	-1	0	301.306	0.805	20	30		DCEDRM
COCCCNC(=O)CN(C)[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000831696568	601312605	/nfs/dbraw/zinc/31/26/05/601312605.db2.gz	AGRSXIVYOSXEKA-HNNXBMFYSA-N	-1	0	319.361	0.768	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1	ZINC000825636733	601481697	/nfs/dbraw/zinc/48/16/97/601481697.db2.gz	RRKIMKFYNSLCQS-OAHLLOKOSA-N	-1	0	304.277	0.632	20	30		DCEDRM
Cn1ncc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1N	ZINC000833062987	601590627	/nfs/dbraw/zinc/59/06/27/601590627.db2.gz	TWXVDPFPTZLGPY-NSHDSACASA-N	-1	0	300.274	0.857	20	30		DCEDRM
C/C(=C/CN1CCN(c2nccnc2C#N)C[C@H]1C)C(=O)[O-]	ZINC000825746994	601664373	/nfs/dbraw/zinc/66/43/73/601664373.db2.gz	NSBFHSBYCNKYBU-CTPBAPBTSA-N	-1	0	301.350	0.890	20	30		DCEDRM
C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC000825653382	601763272	/nfs/dbraw/zinc/76/32/72/601763272.db2.gz	JYCYFIGDYAAFKK-MRVPVSSYSA-N	-1	0	320.301	0.801	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCO1	ZINC000833062211	601856997	/nfs/dbraw/zinc/85/69/97/601856997.db2.gz	JWBMDFKQWIUAFK-SECBINFHSA-N	-1	0	321.264	0.213	20	30		DCEDRM
Cc1cc(C=NNS(C)(=O)=O)cc(C)c1OCC(=O)[O-]	ZINC000832880766	602181028	/nfs/dbraw/zinc/18/10/28/602181028.db2.gz	GWUJOLSUUNIQGP-UHFFFAOYSA-N	-1	0	300.336	0.650	20	30		DCEDRM
CN(CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(=O)[O-]	ZINC000737388262	603133789	/nfs/dbraw/zinc/13/37/89/603133789.db2.gz	GCDJJBGKIFCADF-CQSZACIVSA-N	-1	0	316.361	0.833	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)[O-])cc1	ZINC000831141411	603147936	/nfs/dbraw/zinc/14/79/36/603147936.db2.gz	HWQQKUBRXABATH-NSHDSACASA-N	-1	0	309.347	0.979	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)CN(CC2CC2)C(=O)[O-])nc1	ZINC000831136663	603310981	/nfs/dbraw/zinc/31/09/81/603310981.db2.gz	GPCKWDSDGBAIQQ-UHFFFAOYSA-N	-1	0	317.349	0.871	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1	ZINC000823455523	603534688	/nfs/dbraw/zinc/53/46/88/603534688.db2.gz	DIVWLWGZGSPVFL-OLZOCXBDSA-N	-1	0	321.377	0.411	20	30		DCEDRM
COc1cccc(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000829549937	603590671	/nfs/dbraw/zinc/59/06/71/603590671.db2.gz	JDYODIQKVCRRHN-GFCCVEGCSA-N	-1	0	303.318	0.952	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCOC[C@H]1CCCO1	ZINC000831082770	603593032	/nfs/dbraw/zinc/59/30/32/603593032.db2.gz	QTJXKHCZZUZJSS-VXGBXAGGSA-N	-1	0	311.338	0.286	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1COc2ccccc2C1	ZINC000831076218	603594997	/nfs/dbraw/zinc/59/49/97/603594997.db2.gz	IDVYGIRFXXXOMX-OLZOCXBDSA-N	-1	0	315.329	0.952	20	30		DCEDRM
COC(=O)c1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)nc1	ZINC000828766696	603595868	/nfs/dbraw/zinc/59/58/68/603595868.db2.gz	PXNCKHKRXDWYHB-SNVBAGLBSA-N	-1	0	318.289	0.196	20	30		DCEDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCN(CC#N)CC1	ZINC000826101766	603820142	/nfs/dbraw/zinc/82/01/42/603820142.db2.gz	QBZLWRUOPVICHO-QWRGUYRKSA-N	-1	0	310.354	0.158	20	30		DCEDRM
C#CCSCCNC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823466448	603825259	/nfs/dbraw/zinc/82/52/59/603825259.db2.gz	AOSOJGKWGPCVHQ-ZJUUUORDSA-N	-1	0	300.380	0.972	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)C1	ZINC000831102308	603915558	/nfs/dbraw/zinc/91/55/58/603915558.db2.gz	GDZCSUCYMQETJT-FRRDWIJNSA-N	-1	0	308.382	0.774	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)cn1	ZINC000831132154	603952457	/nfs/dbraw/zinc/95/24/57/603952457.db2.gz	OMJFAZVATVNJQR-NSHDSACASA-N	-1	0	317.349	0.553	20	30		DCEDRM
C[C@@H](C(=O)OCC(=O)NCC#N)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823731608	604023257	/nfs/dbraw/zinc/02/32/57/604023257.db2.gz	PAXMFYIZOGZLEM-MFKMUULPSA-N	-1	0	319.317	0.814	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1	ZINC000825274046	604041728	/nfs/dbraw/zinc/04/17/28/604041728.db2.gz	SAIOCHKNWDIQLQ-WDEREUQCSA-N	-1	0	318.399	0.445	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)/C=C\c1cncc(F)c1	ZINC000831076695	604071423	/nfs/dbraw/zinc/07/14/23/604071423.db2.gz	RBTSUTZZLWYYOT-BIOMNHJASA-N	-1	0	304.281	0.948	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CNC(=O)c1ccccc1	ZINC000831082845	604075024	/nfs/dbraw/zinc/07/50/24/604075024.db2.gz	SDNNAGVDSUMZIK-GFCCVEGCSA-N	-1	0	316.317	0.131	20	30		DCEDRM
CC(C)n1ccc(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000824520466	604084740	/nfs/dbraw/zinc/08/47/40/604084740.db2.gz	VJVOOPWYJHIJDU-LBPRGKRZSA-N	-1	0	305.338	0.721	20	30		DCEDRM
CC(C)n1ccc(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000824520465	604084770	/nfs/dbraw/zinc/08/47/70/604084770.db2.gz	VJVOOPWYJHIJDU-GFCCVEGCSA-N	-1	0	305.338	0.721	20	30		DCEDRM
CC(C)CN1C[C@@H](C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)CC1=O	ZINC000824256650	604086625	/nfs/dbraw/zinc/08/66/25/604086625.db2.gz	GLLHSLBAKABXGH-RYUDHWBXSA-N	-1	0	322.365	0.205	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(C(N)=O)s1	ZINC000831087822	604089343	/nfs/dbraw/zinc/08/93/43/604089343.db2.gz	RGWWBOOHFNCUOH-ZETCQYMHSA-N	-1	0	308.319	0.175	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CC1	ZINC000824842253	604136361	/nfs/dbraw/zinc/13/63/61/604136361.db2.gz	XGVKPHOCMGSGMY-STQMWFEESA-N	-1	0	310.398	0.925	20	30		DCEDRM
C[C@@H](C(=O)[O-])[C@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1	ZINC000826039660	604330728	/nfs/dbraw/zinc/33/07/28/604330728.db2.gz	XBCJRPXQXZTMDM-YGRLFVJLSA-N	-1	0	313.317	0.728	20	30		DCEDRM
CN(C)c1nc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)ns1	ZINC000830647113	604343276	/nfs/dbraw/zinc/34/32/76/604343276.db2.gz	LADJDPDGMFHORX-UHFFFAOYSA-N	-1	0	305.319	0.384	20	30		DCEDRM
C[C@H](CC(=O)OCC(=O)NCC#N)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824730505	604538419	/nfs/dbraw/zinc/53/84/19/604538419.db2.gz	XRZLSRWIWFKQKF-GHMZBOCLSA-N	-1	0	311.338	0.586	20	30		DCEDRM
N#C[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)c1ccc(F)cc1	ZINC000831071063	604676291	/nfs/dbraw/zinc/67/62/91/604676291.db2.gz	XLBCQBQFZINBOO-NWDGAFQWSA-N	-1	0	307.281	0.885	20	30		DCEDRM
N#CCCN(CCC#N)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833760310	604695757	/nfs/dbraw/zinc/69/57/57/604695757.db2.gz	NIYMGDUGSGWHDH-UHFFFAOYSA-N	-1	0	308.319	0.598	20	30		DCEDRM
C[C@H](OC(=O)c1ccc(C#N)cn1)c1cn(CC(=O)[O-])nn1	ZINC000827851940	604696069	/nfs/dbraw/zinc/69/60/69/604696069.db2.gz	DVYANLBSXRXOHP-QMMMGPOBSA-N	-1	0	301.262	0.547	20	30		DCEDRM
CN(C(=O)CN1CCC(O)(C(=O)[O-])CC1)C1(C#N)CCCCC1	ZINC000833684462	604728929	/nfs/dbraw/zinc/72/89/29/604728929.db2.gz	DICPBVFFGDDGQJ-UHFFFAOYSA-N	-1	0	323.393	0.583	20	30		DCEDRM
COC(=O)c1ccccc1CCC(=O)N(CC#N)CC(=O)[O-]	ZINC000833716894	604755529	/nfs/dbraw/zinc/75/55/29/604755529.db2.gz	GFCXTEXLKQVNIA-UHFFFAOYSA-N	-1	0	304.302	0.843	20	30		DCEDRM
C=C(C)COCCNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823480687	604840870	/nfs/dbraw/zinc/84/08/70/604840870.db2.gz	KYTVHTOQDFCHEI-VXGBXAGGSA-N	-1	0	315.370	0.646	20	30		DCEDRM
C=CCN1C(=O)C(=O)N(Cc2ccccc2CC(=O)[O-])C1=O	ZINC000833377178	605055890	/nfs/dbraw/zinc/05/58/90/605055890.db2.gz	PHLQZTUWPOSYQD-UHFFFAOYSA-N	-1	0	302.286	0.791	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000833375513	605058844	/nfs/dbraw/zinc/05/88/44/605058844.db2.gz	BYXPBFKEXRHNAV-UHFFFAOYSA-N	-1	0	310.281	0.781	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000833371465	605059882	/nfs/dbraw/zinc/05/98/82/605059882.db2.gz	SHPONACOPAJGRC-SECBINFHSA-N	-1	0	317.338	0.987	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000833370226	605093453	/nfs/dbraw/zinc/09/34/53/605093453.db2.gz	JQUMZFIGIVCEAT-LLVKDONJSA-N	-1	0	320.345	0.553	20	30		DCEDRM
CC(C)(C#N)CNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000833408783	605122466	/nfs/dbraw/zinc/12/24/66/605122466.db2.gz	UREDRKPRCJLASW-UHFFFAOYSA-N	-1	0	319.317	0.754	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC000393835975	605209835	/nfs/dbraw/zinc/20/98/35/605209835.db2.gz	LQZWXNBVBSDXLK-YVMONPNESA-N	-1	0	324.358	0.365	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)NCC(C)(C)NC(=O)[O-]	ZINC000829839020	605212208	/nfs/dbraw/zinc/21/22/08/605212208.db2.gz	BETPIHHDSSWJOB-UHFFFAOYSA-N	-1	0	318.333	0.968	20	30		DCEDRM
C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000819720456	605229596	/nfs/dbraw/zinc/22/95/96/605229596.db2.gz	ZXVCYYOELUGVGH-UHFFFAOYSA-N	-1	0	319.317	0.050	20	30		DCEDRM
N#Cc1ccc([C@H](NCC2(NC(=O)[O-])CCC2)C(N)=O)cc1	ZINC000833972453	605336937	/nfs/dbraw/zinc/33/69/37/605336937.db2.gz	DIOMTIGDOFTMNL-LBPRGKRZSA-N	-1	0	302.334	0.865	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823506946	605338241	/nfs/dbraw/zinc/33/82/41/605338241.db2.gz	PLWBGOBOIMPHRT-MNOVXSKESA-N	-1	0	314.338	0.379	20	30		DCEDRM
CCN(C1CN(C(=O)[O-])C1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000826992333	605355814	/nfs/dbraw/zinc/35/58/14/605355814.db2.gz	IDTHGCDTXFWTTN-UHFFFAOYSA-N	-1	0	310.335	0.326	20	30		DCEDRM
N#C[C@@H](NC(=O)CNC(=O)CNC(=O)[O-])c1ccc(Cl)cc1	ZINC000833960951	605379444	/nfs/dbraw/zinc/37/94/44/605379444.db2.gz	NCKUMWMKJHSYBW-SNVBAGLBSA-N	-1	0	324.724	0.405	20	30		DCEDRM
N#CCN1CCC(NC(=O)NC[C@@H]2CCN(C(=O)[O-])C2)CC1	ZINC000833966377	605385717	/nfs/dbraw/zinc/38/57/17/605385717.db2.gz	DZQQVVMDCBUSGM-NSHDSACASA-N	-1	0	309.370	0.273	20	30		DCEDRM
C[C@H](CC#N)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833515770	605390751	/nfs/dbraw/zinc/39/07/51/605390751.db2.gz	MBMCGTZKTGLEBF-SSDOTTSWSA-N	-1	0	313.291	0.873	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)CCNC(=O)[O-]	ZINC000833902407	605421901	/nfs/dbraw/zinc/42/19/01/605421901.db2.gz	XCHMHSWNJRVMIF-JTQLQIEISA-N	-1	0	318.333	0.968	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(=O)OC)nc1	ZINC000833368607	605652507	/nfs/dbraw/zinc/65/25/07/605652507.db2.gz	RRGIQFJPHCQQBN-WCQYABFASA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(=O)OC)nc1	ZINC000833368602	605652619	/nfs/dbraw/zinc/65/26/19/605652619.db2.gz	RRGIQFJPHCQQBN-AAEUAGOBSA-N	-1	0	316.313	0.541	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CSCC(F)(F)F	ZINC000833966599	605670699	/nfs/dbraw/zinc/67/06/99/605670699.db2.gz	MSOUSGGVWCFWJB-SSDOTTSWSA-N	-1	0	311.285	0.996	20	30		DCEDRM
C=CCOCCNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000391968294	605704643	/nfs/dbraw/zinc/70/46/43/605704643.db2.gz	UIHJHNPOTIMZKC-UHFFFAOYSA-N	-1	0	321.333	0.825	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC1CN(C(=O)[O-])C1	ZINC000833433607	605716472	/nfs/dbraw/zinc/71/64/72/605716472.db2.gz	YAZZNYVJWVUCFC-AWEZNQCLSA-N	-1	0	311.338	0.726	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NCC2CN(C(=O)[O-])C2)cc1	ZINC000833973781	605777996	/nfs/dbraw/zinc/77/79/96/605777996.db2.gz	COMFFZNJKVCKCT-UHFFFAOYSA-N	-1	0	302.290	0.223	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)c1ccccc1C=O	ZINC000833967395	605847031	/nfs/dbraw/zinc/84/70/31/605847031.db2.gz	QWUUHYPZPCEUCM-NSHDSACASA-N	-1	0	323.330	0.376	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C[C@H]1CSCCS1	ZINC000833967087	605880064	/nfs/dbraw/zinc/88/00/64/605880064.db2.gz	PPTYEMDVHGMVCR-UWVGGRQHSA-N	-1	0	315.420	0.939	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N2CCCC[C@@H]2CNC(=O)[O-])n1	ZINC000833945954	605961307	/nfs/dbraw/zinc/96/13/07/605961307.db2.gz	WEMOPPGMHVJNCW-SNVBAGLBSA-N	-1	0	306.326	0.946	20	30		DCEDRM
C=CCN(CC(=O)OCC)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000833788332	605969932	/nfs/dbraw/zinc/96/99/32/605969932.db2.gz	VFSPWPAIPADZIN-NSHDSACASA-N	-1	0	314.338	0.333	20	30		DCEDRM
C=CCN(CC(=O)OCC)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000833788331	605970035	/nfs/dbraw/zinc/97/00/35/605970035.db2.gz	VFSPWPAIPADZIN-LLVKDONJSA-N	-1	0	314.338	0.333	20	30		DCEDRM
C=C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC000819730429	606854414	/nfs/dbraw/zinc/85/44/14/606854414.db2.gz	ZQTAIKMWCYAYGN-ZCFIWIBFSA-N	-1	0	306.351	0.994	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1ccn(C2CCCC2)n1	ZINC000822814266	606867289	/nfs/dbraw/zinc/86/72/89/606867289.db2.gz	DUUYMIMJXSAIDU-UHFFFAOYSA-N	-1	0	324.352	0.877	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CCc1ccc2c(c1)CCO2	ZINC000822814499	607237652	/nfs/dbraw/zinc/23/76/52/607237652.db2.gz	GHQVJYCOPHNTPD-UHFFFAOYSA-N	-1	0	322.332	0.695	20	30		DCEDRM
CCc1ccnc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC000825728566	608568749	/nfs/dbraw/zinc/56/87/49/608568749.db2.gz	QCWKMZRVRGKXAM-UHFFFAOYSA-N	-1	0	309.293	0.671	20	30		DCEDRM
COc1cc(C)nc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)c1	ZINC000826178902	609176000	/nfs/dbraw/zinc/17/60/00/609176000.db2.gz	QDYJGMYBZYLNHY-UHFFFAOYSA-N	-1	0	311.309	0.277	20	30		DCEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cc(=O)[nH]1	ZINC000826261186	609267491	/nfs/dbraw/zinc/26/74/91/609267491.db2.gz	UVVSBNVTNHXGAX-UHFFFAOYSA-N	-1	0	311.265	0.123	20	30		DCEDRM
C#CC1(O)CN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C1	ZINC000890520985	657566839	/nfs/dbraw/zinc/56/68/39/657566839.db2.gz	TWZHKIIHRYTJTH-UHFFFAOYSA-N	-1	0	315.354	0.042	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)n1	ZINC000181279422	665517646	/nfs/dbraw/zinc/51/76/46/665517646.db2.gz	UDTMWWQQDNHIKC-UHFFFAOYSA-N	-1	0	319.346	0.631	20	30		DCEDRM
C=C(Cl)CN1CC([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000970060857	658410063	/nfs/dbraw/zinc/41/00/63/658410063.db2.gz	SFPRFPNIVVEKPD-SSDOTTSWSA-N	-1	0	313.745	0.085	20	30		DCEDRM
Cc1ccc(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c([O-])c1	ZINC000176956540	658434761	/nfs/dbraw/zinc/43/47/61/658434761.db2.gz	KCBHHVSVSAEYJF-FNORWQNLSA-N	-1	0	300.314	0.994	20	30		DCEDRM
C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[n-]c2ccccc2c1=O	ZINC001032659172	665596720	/nfs/dbraw/zinc/59/67/20/665596720.db2.gz	UPIJSOPDJWXDSN-RYUDHWBXSA-N	-1	0	308.341	0.867	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC000975218922	658960629	/nfs/dbraw/zinc/96/06/29/658960629.db2.gz	JISDTCXGGZJAML-MWLCHTKSSA-N	-1	0	319.365	0.552	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)N(C)CCC(=O)OCC	ZINC000893423715	659130480	/nfs/dbraw/zinc/13/04/80/659130480.db2.gz	OGCXEEPCTQSWEY-UHFFFAOYSA-N	-1	0	318.395	0.426	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)N(C)CCC(=O)OCC	ZINC000893424228	659132612	/nfs/dbraw/zinc/13/26/12/659132612.db2.gz	UJIDSYNLJFOYLN-UHFFFAOYSA-N	-1	0	320.411	0.835	20	30		DCEDRM
CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000783429790	659317605	/nfs/dbraw/zinc/31/76/05/659317605.db2.gz	RWFJOXMSMPRFSG-NSHDSACASA-N	-1	0	317.411	0.533	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCCOc1cccnc1	ZINC000776116184	659403750	/nfs/dbraw/zinc/40/37/50/659403750.db2.gz	KCUJPVZQQIAPMI-UHFFFAOYSA-N	-1	0	311.363	0.990	20	30		DCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CC#N)CC1	ZINC000194164734	659483062	/nfs/dbraw/zinc/48/30/62/659483062.db2.gz	NNEIICRPVZNJPG-JTQLQIEISA-N	-1	0	320.315	0.357	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)CC[C@H]1CCCO1	ZINC000893710337	661355403	/nfs/dbraw/zinc/35/54/03/661355403.db2.gz	FZZJAGPZTMZRQQ-GFCCVEGCSA-N	-1	0	305.396	0.984	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1nccs1	ZINC000791110408	661708821	/nfs/dbraw/zinc/70/88/21/661708821.db2.gz	CWDJGTGWOIIYJJ-SNVBAGLBSA-N	-1	0	313.404	0.581	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2OCCO[C@H]2C)n1	ZINC000923808340	663087450	/nfs/dbraw/zinc/08/74/50/663087450.db2.gz	BXENWJAPYYTANJ-UMNHJUIQSA-N	-1	0	324.358	0.975	20	30		DCEDRM
C#CC1(O)CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1	ZINC000899120364	663124397	/nfs/dbraw/zinc/12/43/97/663124397.db2.gz	XTTAKGGCZXVNKS-UHFFFAOYSA-N	-1	0	306.284	0.430	20	30		DCEDRM
CN(CC1CC1)S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899930529	663201740	/nfs/dbraw/zinc/20/17/40/663201740.db2.gz	RDDVQTGCFHORRD-NSHDSACASA-N	-1	0	300.380	0.373	20	30		DCEDRM
C[C@H]1CCCCN1S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899930018	663201752	/nfs/dbraw/zinc/20/17/52/663201752.db2.gz	NWHUMCDWRZVXAS-STQMWFEESA-N	-1	0	314.407	0.906	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1F	ZINC000899938335	663202772	/nfs/dbraw/zinc/20/27/72/663202772.db2.gz	GOLHYUZRBJEWGE-IAZYJMLFSA-N	-1	0	310.306	0.648	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000899938143	663202809	/nfs/dbraw/zinc/20/28/09/663202809.db2.gz	DDZJIVDJHFHRLR-IAZYJMLFSA-N	-1	0	310.306	0.648	20	30		DCEDRM
C=CC[C@H]1CCN1C(=O)CNS(=O)(=O)c1c(C)noc1C	ZINC000900844171	663287189	/nfs/dbraw/zinc/28/71/89/663287189.db2.gz	OXKDKNVQLJLPMJ-NSHDSACASA-N	-1	0	313.379	0.747	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000901685072	663362362	/nfs/dbraw/zinc/36/23/62/663362362.db2.gz	XHNZQLVVLRGZNW-GVXVVHGQSA-N	-1	0	320.349	0.731	20	30		DCEDRM
C=CCOC[C@H](N[C@@H]1C[C@@H](NC(=O)[O-])C12CCC2)C(=O)OC	ZINC000904237929	663505962	/nfs/dbraw/zinc/50/59/62/663505962.db2.gz	XLGYZWWOVCOTHW-QJPTWQEYSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=CCCCN(CC)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000904946231	663521071	/nfs/dbraw/zinc/52/10/71/663521071.db2.gz	DSHRMWRAUVDYCU-MLGOLLRUSA-N	-1	0	324.377	0.361	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1	ZINC000907126411	663669413	/nfs/dbraw/zinc/66/94/13/663669413.db2.gz	CXNUGABMYRVQTI-UHFFFAOYSA-N	-1	0	315.734	0.407	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)nc1	ZINC000907477246	663697607	/nfs/dbraw/zinc/69/76/07/663697607.db2.gz	UFQQNTNLLPVEJW-LLVKDONJSA-N	-1	0	300.347	0.506	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1ccn(CC(F)(F)F)n1)C(=O)[O-]	ZINC000907719897	663714292	/nfs/dbraw/zinc/71/42/92/663714292.db2.gz	WGMIBULMGIEGMQ-VIFPVBQESA-N	-1	0	303.240	0.581	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1	ZINC000908240315	663745753	/nfs/dbraw/zinc/74/57/53/663745753.db2.gz	GOIVCYSKIREWRG-NSHDSACASA-N	-1	0	312.395	0.647	20	30		DCEDRM
C=CCC[C@H](NC(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC)C(=O)[O-]	ZINC000909196388	663786640	/nfs/dbraw/zinc/78/66/40/663786640.db2.gz	RCDGELXBXOSWPN-USZNOCQGSA-N	-1	0	300.355	0.897	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCC(=O)c2cccn21)C(=O)[O-]	ZINC000909769630	663800431	/nfs/dbraw/zinc/80/04/31/663800431.db2.gz	AVFPVAVNIXRFJO-JQWIXIFHSA-N	-1	0	306.318	0.778	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CC1CCN(OCC)CC1)C(=O)[O-]	ZINC000909771326	663800569	/nfs/dbraw/zinc/80/05/69/663800569.db2.gz	NEVVKWXVUGUIFB-CYBMUJFWSA-N	-1	0	314.382	0.812	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1	ZINC000909832505	663811094	/nfs/dbraw/zinc/81/10/94/663811094.db2.gz	SLJAWRRUCYLYBL-WIUDPPPLSA-N	-1	0	317.407	0.792	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-]	ZINC000910051199	663836849	/nfs/dbraw/zinc/83/68/49/663836849.db2.gz	GLOXWFYNOSCGKL-PWSUYJOCSA-N	-1	0	304.302	0.221	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cn1c2ccccc2n(CC)c1=O)C(=O)[O-]	ZINC000910052258	663837329	/nfs/dbraw/zinc/83/73/29/663837329.db2.gz	QMFRUYGNHIFORQ-LLVKDONJSA-N	-1	0	315.329	0.416	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@H](C)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000910052693	663837373	/nfs/dbraw/zinc/83/73/73/663837373.db2.gz	GPJRCCLJIXTZIG-AAEUAGOBSA-N	-1	0	302.330	0.788	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccnc(O[C@@H]2CCOC2)c1)C(=O)[O-]	ZINC000910054641	663837923	/nfs/dbraw/zinc/83/79/23/663837923.db2.gz	VCAXYRJOWOYAJE-NEPJUHHUSA-N	-1	0	304.302	0.456	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H](Oc1ccccc1)C(C)(C)O)C(=O)[O-]	ZINC000910049269	663840153	/nfs/dbraw/zinc/84/01/53/663840153.db2.gz	UXAHPTIIHDHTBP-CHWSQXEVSA-N	-1	0	305.330	0.798	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1COc2ccc(OC)cc2C1)C(=O)[O-]	ZINC000910045998	663840474	/nfs/dbraw/zinc/84/04/74/663840474.db2.gz	JFLKEYVTGPTWGB-WCQYABFASA-N	-1	0	303.314	0.839	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)C(=O)[O-]	ZINC000910050966	663840823	/nfs/dbraw/zinc/84/08/23/663840823.db2.gz	BUGKPLHQYUHBFY-RYUDHWBXSA-N	-1	0	308.378	0.864	20	30		DCEDRM
C=C[C@@](C)(O)C(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F	ZINC000910351778	663876928	/nfs/dbraw/zinc/87/69/28/663876928.db2.gz	PRJOBXHCPTXHRM-IMTBSYHQSA-N	-1	0	301.286	0.788	20	30		DCEDRM
C=CCN(CC(=O)[O-])c1cc(N2CC[C@H]([C@@H](C)O)C2)ncn1	ZINC000910395896	663879175	/nfs/dbraw/zinc/87/91/75/663879175.db2.gz	OVNJIIFKUVTFLG-NEPJUHHUSA-N	-1	0	306.366	0.761	20	30		DCEDRM
C=CCN(CC(=O)[O-])c1cc(N2CC[C@@H]([C@H](C)O)C2)ncn1	ZINC000910395898	663879288	/nfs/dbraw/zinc/87/92/88/663879288.db2.gz	OVNJIIFKUVTFLG-NWDGAFQWSA-N	-1	0	306.366	0.761	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CSCN1C(C)=O)C(=O)[O-]	ZINC000910913802	663956063	/nfs/dbraw/zinc/95/60/63/663956063.db2.gz	DBPZRMJUCFDRNX-GHMZBOCLSA-N	-1	0	300.380	0.834	20	30		DCEDRM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(C#N)cc(C)n1	ZINC000912559701	664188403	/nfs/dbraw/zinc/18/84/03/664188403.db2.gz	AUQFGCXKCGEGJC-UHFFFAOYSA-N	-1	0	321.318	0.572	20	30		DCEDRM
C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(C#N)cc1	ZINC000730526027	664785209	/nfs/dbraw/zinc/78/52/09/664785209.db2.gz	MOLMZVXFSNAWAU-SNVBAGLBSA-N	-1	0	322.328	0.820	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CC(=O)N(C)C2)n1	ZINC000914920697	664839471	/nfs/dbraw/zinc/83/94/71/664839471.db2.gz	CQHMMWSJGIKXJH-UWVGGRQHSA-N	-1	0	321.358	0.649	20	30		DCEDRM
O=c1nc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])nc2[nH][nH]cc1-2	ZINC000731155056	664841119	/nfs/dbraw/zinc/84/11/19/664841119.db2.gz	PZROTWSBTMDYSF-UHFFFAOYSA-N	-1	0	315.249	0.492	20	30		DCEDRM
C=CCNC(=O)Nc1ccc(NC(=O)c2cc(=O)[nH][n-]2)cc1	ZINC000732266961	664910184	/nfs/dbraw/zinc/91/01/84/664910184.db2.gz	RZYXVQBAPSIAKQ-UHFFFAOYSA-N	-1	0	301.306	0.809	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)C2CCOCC2)cc1	ZINC000916178609	665062565	/nfs/dbraw/zinc/06/25/65/665062565.db2.gz	DYBBEGYHBNRUPW-UHFFFAOYSA-N	-1	0	308.359	0.931	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)cc1	ZINC000916874689	665098327	/nfs/dbraw/zinc/09/83/27/665098327.db2.gz	FPYXYUCKDNIAQB-GFCCVEGCSA-N	-1	0	303.318	0.261	20	30		DCEDRM
C#CC[C@@H](CO)[N-]S(=O)(=O)c1occc1Br	ZINC000916905640	665101379	/nfs/dbraw/zinc/10/13/79/665101379.db2.gz	BTCUUEJDBCSUBP-ZETCQYMHSA-N	-1	0	308.153	0.705	20	30		DCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1c[nH]c(C(N)=O)c1	ZINC000917422437	665132118	/nfs/dbraw/zinc/13/21/18/665132118.db2.gz	IELMAMXHXCSRTH-LLVKDONJSA-N	-1	0	320.349	0.367	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(F)c(NC(C)=O)c1	ZINC000920108126	665258924	/nfs/dbraw/zinc/25/89/24/665258924.db2.gz	OMEYZNNJBYEULE-LLVKDONJSA-N	-1	0	321.308	0.869	20	30		DCEDRM
CN1CC[C@@H]1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000921414225	665301846	/nfs/dbraw/zinc/30/18/46/665301846.db2.gz	GXBQNFABRJOODN-SECBINFHSA-N	-1	0	301.318	0.819	20	30		DCEDRM
CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001033016767	666428512	/nfs/dbraw/zinc/42/85/12/666428512.db2.gz	CTTRKZMYOGSYCT-JTQLQIEISA-N	-1	0	315.337	0.057	20	30		DCEDRM
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2n[nH]c(=O)[n-]2)c1	ZINC000073134837	666587939	/nfs/dbraw/zinc/58/79/39/666587939.db2.gz	QSAORXYNZKRWQB-JTQLQIEISA-N	-1	0	301.306	0.709	20	30		DCEDRM
C=C(Cl)CN1CC[C@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001033230410	666638686	/nfs/dbraw/zinc/63/86/86/666638686.db2.gz	OAXLORDIKJJASU-QMMMGPOBSA-N	-1	0	313.745	0.182	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)Cc1cc(C)no1)C(=O)[O-]	ZINC000863420124	667141832	/nfs/dbraw/zinc/14/18/32/667141832.db2.gz	KBJDLBAOZOTRFO-SECBINFHSA-N	-1	0	308.743	0.998	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cn(CCCC)nc1C	ZINC000864439232	667254532	/nfs/dbraw/zinc/25/45/32/667254532.db2.gz	MVWYEEMCAJJQBI-UHFFFAOYSA-N	-1	0	313.379	0.700	20	30		DCEDRM
CCOCCNC(=S)N1CCc2[n-]c(=O)c(C#N)cc2C1	ZINC000865250802	667315911	/nfs/dbraw/zinc/31/59/11/667315911.db2.gz	JXAYWFXXMDVMEV-UHFFFAOYSA-N	-1	0	306.391	0.928	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)CC(=O)OCC	ZINC000838846197	667711444	/nfs/dbraw/zinc/71/14/44/667711444.db2.gz	FXLLXYQXQTZEOT-LBPRGKRZSA-N	-1	0	307.368	0.224	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000838845570	667713141	/nfs/dbraw/zinc/71/31/41/667713141.db2.gz	ABTCEOMILWMWKK-UHFFFAOYSA-N	-1	0	302.333	0.242	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)[C@@H](CCC)C(=O)OCC	ZINC000838888837	667718076	/nfs/dbraw/zinc/71/80/76/667718076.db2.gz	CKRXXSCQXRECPP-JTQLQIEISA-N	-1	0	307.368	0.367	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(S(C)(=O)=O)cc(C)c1C	ZINC000136790796	667733667	/nfs/dbraw/zinc/73/36/67/667733667.db2.gz	UZXMSXHVKIMZLF-LBPRGKRZSA-N	-1	0	308.359	0.775	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCNC(=O)C2CC2)CC1	ZINC000870832161	667764936	/nfs/dbraw/zinc/76/49/36/667764936.db2.gz	VRXKJMUQLFFKCW-UHFFFAOYSA-N	-1	0	300.380	0.457	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(C(=O)CC)C2)CC1	ZINC000870833836	667764943	/nfs/dbraw/zinc/76/49/43/667764943.db2.gz	YPURBFPGALKOGW-NSHDSACASA-N	-1	0	314.407	0.800	20	30		DCEDRM
O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1[O-]	ZINC000750537541	667981602	/nfs/dbraw/zinc/98/16/02/667981602.db2.gz	OKHJECHGGPKDPE-FYWRMAATSA-N	-1	0	319.292	0.788	20	30		DCEDRM
Cc1nnc(NN=Cc2ccc3c(c2)oc(=O)n3C)[n-]c1=O	ZINC000754911615	668052999	/nfs/dbraw/zinc/05/29/99/668052999.db2.gz	ICYOPQDLEOUSLY-UHFFFAOYSA-N	-1	0	300.278	0.777	20	30		DCEDRM
C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)Cc2ccccc21	ZINC000873819116	668114836	/nfs/dbraw/zinc/11/48/36/668114836.db2.gz	LTIMHVXXPCFACY-LLVKDONJSA-N	-1	0	324.340	0.966	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC000874418087	668182805	/nfs/dbraw/zinc/18/28/05/668182805.db2.gz	YARAZTGZULPXOM-TXEJJXNPSA-N	-1	0	307.350	0.021	20	30		DCEDRM
COc1ccc(O)c(C(=O)/C=C\c2cn(CC(=O)[O-])nn2)c1	ZINC000759084723	668205676	/nfs/dbraw/zinc/20/56/76/668205676.db2.gz	QHFGEYQJQJZWDK-RQOWECAXSA-N	-1	0	303.274	0.973	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cnc2nccnc2c1	ZINC000760255331	668265296	/nfs/dbraw/zinc/26/52/96/668265296.db2.gz	HOEHYIMQTYFNMO-UHFFFAOYSA-N	-1	0	319.346	0.634	20	30		DCEDRM
CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000760400728	668269881	/nfs/dbraw/zinc/26/98/81/668269881.db2.gz	OOVGYUGNQFTFMT-JTQLQIEISA-N	-1	0	315.395	0.431	20	30		DCEDRM
N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000761168845	668310829	/nfs/dbraw/zinc/31/08/29/668310829.db2.gz	VATMVVYYXYROAC-AWEZNQCLSA-N	-1	0	322.386	0.920	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(S(=O)(=O)CC)C1	ZINC000762052914	668344882	/nfs/dbraw/zinc/34/48/82/668344882.db2.gz	OHCOVIMHRZMHDR-NSHDSACASA-N	-1	0	318.395	0.147	20	30		DCEDRM
CS(=O)(=O)N1CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1	ZINC000763372316	668407401	/nfs/dbraw/zinc/40/74/01/668407401.db2.gz	WDSZSCSQEIUNQL-UHFFFAOYSA-N	-1	0	312.351	0.603	20	30		DCEDRM
C#CCCNS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000926515698	668410772	/nfs/dbraw/zinc/41/07/72/668410772.db2.gz	ZTVHLRQBZHGBNG-UHFFFAOYSA-N	-1	0	301.295	0.591	20	30		DCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000926537862	668411942	/nfs/dbraw/zinc/41/19/42/668411942.db2.gz	QIXBLYJHKMIUTN-VIFPVBQESA-N	-1	0	315.322	0.979	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@@]23CCOC3)CCCC1	ZINC000764795171	668463062	/nfs/dbraw/zinc/46/30/62/668463062.db2.gz	LCTSQNANXJNYGG-BXUZGUMPSA-N	-1	0	312.391	0.943	20	30		DCEDRM
CC(C)S(=O)(=O)NN=Cc1[nH]nc2cc(C(=O)[O-])ccc12	ZINC000765571962	668499695	/nfs/dbraw/zinc/49/96/95/668499695.db2.gz	NHCODMMVFSJKHG-UHFFFAOYSA-N	-1	0	310.335	0.923	20	30		DCEDRM
C=CCN(C(=O)C(=O)NC[C@H](CC)C(=O)[O-])[C@H](C)COC	ZINC000927957114	668538603	/nfs/dbraw/zinc/53/86/03/668538603.db2.gz	IDORTTABPLVBIF-MNOVXSKESA-N	-1	0	300.355	0.263	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000766981377	668555143	/nfs/dbraw/zinc/55/51/43/668555143.db2.gz	WQZMLGLTWLMTLS-UHFFFAOYSA-N	-1	0	322.342	0.412	20	30		DCEDRM
CC(C)c1nc(C#N)c(N=NCc2cn(CC(=O)[O-])nn2)o1	ZINC000768481481	668611309	/nfs/dbraw/zinc/61/13/09/668611309.db2.gz	AYDPOAAWYDRECC-UHFFFAOYSA-N	-1	0	303.282	0.792	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(CC(=O)C(C)(C)C)nn1	ZINC000769945279	668670203	/nfs/dbraw/zinc/67/02/03/668670203.db2.gz	IICWZBKNIUXYPZ-SNVBAGLBSA-N	-1	0	317.349	0.518	20	30		DCEDRM
COc1nc(C(=O)OCC(=O)N(C)C(C)(C)C#N)cc(=O)[n-]1	ZINC000770511604	668697589	/nfs/dbraw/zinc/69/75/89/668697589.db2.gz	QUYKAAIMDAWLII-UHFFFAOYSA-N	-1	0	308.294	0.108	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)[C@H](C)CC	ZINC000772713745	668782050	/nfs/dbraw/zinc/78/20/50/668782050.db2.gz	WHNMPTDJISBRTO-NXEZZACHSA-N	-1	0	320.436	0.566	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000772718244	668782225	/nfs/dbraw/zinc/78/22/25/668782225.db2.gz	ZSHCNKCWPNLOOH-LLVKDONJSA-N	-1	0	308.359	0.672	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1coc(OCC)n1	ZINC000773967141	668818612	/nfs/dbraw/zinc/81/86/12/668818612.db2.gz	JVZMRZHHRKYNHS-SNVBAGLBSA-N	-1	0	309.322	0.939	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C1=O	ZINC000774100239	668822837	/nfs/dbraw/zinc/82/28/37/668822837.db2.gz	PPRDQQJOTHHLJN-LLVKDONJSA-N	-1	0	321.358	0.150	20	30		DCEDRM
N#CCC(=O)Nc1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1	ZINC000774882217	668849690	/nfs/dbraw/zinc/84/96/90/668849690.db2.gz	GTEVIUTVZZXZNC-UHFFFAOYSA-N	-1	0	301.262	0.719	20	30		DCEDRM
C#C[C@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@@H]1CCCO1	ZINC000775805159	668867936	/nfs/dbraw/zinc/86/79/36/668867936.db2.gz	DKCKEJIEEVLENM-AAEUAGOBSA-N	-1	0	319.386	0.779	20	30		DCEDRM
C=CCCOCCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000776073286	668870684	/nfs/dbraw/zinc/87/06/84/668870684.db2.gz	NGIRFASWFHXCSN-UHFFFAOYSA-N	-1	0	315.395	0.988	20	30		DCEDRM
C=CCCOCCCCC(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000776094257	668870862	/nfs/dbraw/zinc/87/08/62/668870862.db2.gz	LUOUAKNWXBSODA-UHFFFAOYSA-N	-1	0	320.411	0.443	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C[C@@H]1C(=O)Nc2ccccc21	ZINC000776116174	668870982	/nfs/dbraw/zinc/87/09/82/668870982.db2.gz	JNKKNYUYYKIELL-NSHDSACASA-N	-1	0	321.358	0.862	20	30		DCEDRM
C[C@@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122642	668871403	/nfs/dbraw/zinc/87/14/03/668871403.db2.gz	SNMLHXSLINYYSQ-VXGBXAGGSA-N	-1	0	318.395	0.710	20	30		DCEDRM
CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776135576	668871640	/nfs/dbraw/zinc/87/16/40/668871640.db2.gz	FXLAKHQYFOPYJJ-UHFFFAOYSA-N	-1	0	304.368	0.571	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1	ZINC000776142075	668871651	/nfs/dbraw/zinc/87/16/51/668871651.db2.gz	HPTDLQGYPJCOTP-UHFFFAOYSA-N	-1	0	309.347	0.395	20	30		DCEDRM
CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776144411	668871790	/nfs/dbraw/zinc/87/17/90/668871790.db2.gz	OJDLMSRXVWCJOQ-UHFFFAOYSA-N	-1	0	317.411	0.535	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NC[C@H](CC1CCCC1)C(=O)[O-]	ZINC000776554614	668877507	/nfs/dbraw/zinc/87/75/07/668877507.db2.gz	HZKFUIAWAZTIGN-LBPRGKRZSA-N	-1	0	317.411	0.947	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000776587157	668878509	/nfs/dbraw/zinc/87/85/09/668878509.db2.gz	ICJBRODYMMATGI-QMMMGPOBSA-N	-1	0	318.332	0.801	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)OC2	ZINC000776681325	668880042	/nfs/dbraw/zinc/88/00/42/668880042.db2.gz	SQVUQMDCIYMRII-UHFFFAOYSA-N	-1	0	311.315	0.618	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1	ZINC000780992634	669025325	/nfs/dbraw/zinc/02/53/25/669025325.db2.gz	AGPSALXESWNEIO-STQMWFEESA-N	-1	0	312.333	0.511	20	30		DCEDRM
CCn1cc(CC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000781444889	669044118	/nfs/dbraw/zinc/04/41/18/669044118.db2.gz	RACIGZZXJGZVLZ-UHFFFAOYSA-N	-1	0	318.358	0.822	20	30		DCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)on1	ZINC000781449523	669044298	/nfs/dbraw/zinc/04/42/98/669044298.db2.gz	UYHCFGSQNJZUEH-MRVPVSSYSA-N	-1	0	314.257	0.817	20	30		DCEDRM
CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000784814231	669222519	/nfs/dbraw/zinc/22/25/19/669222519.db2.gz	KOBWVBKNAHJESK-LBPRGKRZSA-N	-1	0	321.358	0.125	20	30		DCEDRM
CNC(=O)CCCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000784836751	669223327	/nfs/dbraw/zinc/22/33/27/669223327.db2.gz	CKPHBSVVNLUBGL-UHFFFAOYSA-N	-1	0	317.305	0.266	20	30		DCEDRM
COC[C@H](C#N)OC(=O)c1ccc(F)c(NS(C)(=O)=O)c1	ZINC000785280224	669243848	/nfs/dbraw/zinc/24/38/48/669243848.db2.gz	HXZDRMNUHIRYJC-VIFPVBQESA-N	-1	0	316.310	0.893	20	30		DCEDRM
COc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1C#N	ZINC000785400817	669253760	/nfs/dbraw/zinc/25/37/60/669253760.db2.gz	DBOFTMOLWATFIH-OLZOCXBDSA-N	-1	0	304.302	0.815	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CCC3(CCOCC3)CO2)c1=O	ZINC000882179375	669471630	/nfs/dbraw/zinc/47/16/30/669471630.db2.gz	QQPSTDCDKNAJLX-LBPRGKRZSA-N	-1	0	305.334	0.384	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnnn1-c1cccc(F)c1	ZINC000789459357	669496643	/nfs/dbraw/zinc/49/66/43/669496643.db2.gz	KUJGEEFBOLANNO-UHFFFAOYSA-N	-1	0	310.310	0.652	20	30		DCEDRM
CCN(C)c1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cn1	ZINC000790148049	669540128	/nfs/dbraw/zinc/54/01/28/669540128.db2.gz	QIXLWOXNJOHCGP-UHFFFAOYSA-N	-1	0	304.379	0.969	20	30		DCEDRM
CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793203488	669707329	/nfs/dbraw/zinc/70/73/29/669707329.db2.gz	MDQDOSDPUIKCHW-UHFFFAOYSA-N	-1	0	315.395	0.431	20	30		DCEDRM
Cc1nn(C)c(C)c1[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793202733	669707515	/nfs/dbraw/zinc/70/75/15/669707515.db2.gz	BAVJDELUBVZGKF-VIFPVBQESA-N	-1	0	324.406	0.890	20	30		DCEDRM
Cc1cc(COCC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)on1	ZINC000793206307	669707581	/nfs/dbraw/zinc/70/75/81/669707581.db2.gz	YVBYNJVUBMDMIE-UHFFFAOYSA-N	-1	0	313.335	0.249	20	30		DCEDRM
Cc1c(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cnn1C	ZINC000793204008	669707722	/nfs/dbraw/zinc/70/77/22/669707722.db2.gz	NGRMVNOOPOAXKE-UHFFFAOYSA-N	-1	0	310.379	0.411	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)CC1	ZINC000793212287	669708305	/nfs/dbraw/zinc/70/83/05/669708305.db2.gz	MMNITLYRBNRDGB-NXEZZACHSA-N	-1	0	313.379	0.028	20	30		DCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2ccccc2-n2ccnn2)nn1	ZINC000794732910	669861475	/nfs/dbraw/zinc/86/14/75/669861475.db2.gz	SZCFMLGYPUCSLQ-WAYWQWQTSA-N	-1	0	324.300	0.840	20	30		DCEDRM
Cn1cc(C(=O)CCC(=O)C(C#N)=C([O-])c2nccn2C)cn1	ZINC000796774308	669942444	/nfs/dbraw/zinc/94/24/44/669942444.db2.gz	KIVXYUNYVHQOHL-LLVKDONJSA-N	-1	0	313.317	0.708	20	30		DCEDRM
C[C@@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000796811531	669942922	/nfs/dbraw/zinc/94/29/22/669942922.db2.gz	JTDQULPRWDKHNQ-VHSXEESVSA-N	-1	0	300.380	0.987	20	30		DCEDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000796896582	669947107	/nfs/dbraw/zinc/94/71/07/669947107.db2.gz	IMFNNQKSMOELOH-UHFFFAOYSA-N	-1	0	300.292	0.164	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)COC(F)F)c1	ZINC000796933601	669949741	/nfs/dbraw/zinc/94/97/41/669949741.db2.gz	QCRAIWMHNVMECM-UHFFFAOYSA-N	-1	0	304.274	0.743	20	30		DCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000797282477	669962053	/nfs/dbraw/zinc/96/20/53/669962053.db2.gz	GVKZFNJJJJEPCW-SNVBAGLBSA-N	-1	0	324.358	0.498	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)[N-]OCCSC	ZINC000797375267	669967036	/nfs/dbraw/zinc/96/70/36/669967036.db2.gz	CYYIRZPDJHSFKX-UHFFFAOYSA-N	-1	0	309.347	0.916	20	30		DCEDRM
CCOC(=O)c1cc(C=Nn2c(=O)c(C)n[n-]c2=S)[nH]c1C	ZINC000799469679	670059806	/nfs/dbraw/zinc/05/98/06/670059806.db2.gz	YIFZTMNMGHIVOF-UHFFFAOYSA-N	-1	0	321.362	0.931	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cncc(OCCOC)c1	ZINC000802040377	670149056	/nfs/dbraw/zinc/14/90/56/670149056.db2.gz	LPVZDNVPMZTZQT-ZDUSSCGKSA-N	-1	0	321.333	0.192	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C2=CCOCC2)c1	ZINC000802065335	670149088	/nfs/dbraw/zinc/14/90/88/670149088.db2.gz	WFVVQAMEHDONOH-UHFFFAOYSA-N	-1	0	306.343	0.851	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1nnn(-c2ccc(OC)cc2)c1C	ZINC000193644803	670322123	/nfs/dbraw/zinc/32/21/23/670322123.db2.gz	WFLDCRQSRLJNBH-LBPRGKRZSA-N	-1	0	313.317	0.653	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cccc(F)c1C#N	ZINC000809030848	670437980	/nfs/dbraw/zinc/43/79/80/670437980.db2.gz	MCIHFPQHJVKBIR-UHFFFAOYSA-N	-1	0	322.321	0.858	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000810663727	670492930	/nfs/dbraw/zinc/49/29/30/670492930.db2.gz	DTLZHAHALYBKQW-AWEZNQCLSA-N	-1	0	307.371	0.835	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc(OC)c(Cl)c1	ZINC000810770045	670496560	/nfs/dbraw/zinc/49/65/60/670496560.db2.gz	HMWGLCLSUZFBTE-UHFFFAOYSA-N	-1	0	302.739	0.827	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1	ZINC000810773861	670496960	/nfs/dbraw/zinc/49/69/60/670496960.db2.gz	OBGJYZGOJCLVKH-UHFFFAOYSA-N	-1	0	323.374	0.001	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C12CCC(C(=O)OC)(CC1)C2	ZINC000810775462	670497285	/nfs/dbraw/zinc/49/72/85/670497285.db2.gz	HGFQFSNZIBEGIK-UHFFFAOYSA-N	-1	0	313.375	0.579	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccccc1	ZINC000810779600	670497506	/nfs/dbraw/zinc/49/75/06/670497506.db2.gz	UJSYAJCIPUOMBE-NSHDSACASA-N	-1	0	308.359	0.274	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(OC)cc1	ZINC000810778875	670497593	/nfs/dbraw/zinc/49/75/93/670497593.db2.gz	PZLPRDLOXRCOTE-LLVKDONJSA-N	-1	0	311.359	0.932	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)OC)C1	ZINC000810782905	670497719	/nfs/dbraw/zinc/49/77/19/670497719.db2.gz	WMBIPMJCTSWECD-WDEREUQCSA-N	-1	0	301.364	0.435	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](CCSC)NC(=O)CC	ZINC000810781753	670497741	/nfs/dbraw/zinc/49/77/41/670497741.db2.gz	CQHRNWGJZQBQKY-SNVBAGLBSA-N	-1	0	320.436	0.104	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)C1CCCC1	ZINC000810785412	670498062	/nfs/dbraw/zinc/49/80/62/670498062.db2.gz	GWYGCCQYVQFXQT-LBPRGKRZSA-N	-1	0	300.380	0.151	20	30		DCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000810830440	670498906	/nfs/dbraw/zinc/49/89/06/670498906.db2.gz	RZPXEPYVSNGQPR-UHFFFAOYSA-N	-1	0	320.330	0.864	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1	ZINC000810984715	670502519	/nfs/dbraw/zinc/50/25/19/670502519.db2.gz	KVUZGKNQNLRCSF-JTQLQIEISA-N	-1	0	312.391	0.552	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)C1(COC)CC1)OCC	ZINC000811152995	670511174	/nfs/dbraw/zinc/51/11/74/670511174.db2.gz	UBHWPWMZYFMRPS-LLVKDONJSA-N	-1	0	305.396	0.983	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1scc2c1OCCO2	ZINC000847621031	670583227	/nfs/dbraw/zinc/58/32/27/670583227.db2.gz	GSZKHPVRHXGUEM-VIFPVBQESA-N	-1	0	324.358	0.994	20	30		DCEDRM
CN(C)c1cnc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cn1	ZINC000847675178	670589269	/nfs/dbraw/zinc/58/92/69/670589269.db2.gz	PMGWLDJPKRGYDU-UHFFFAOYSA-N	-1	0	311.367	0.152	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O	ZINC000812783144	670595776	/nfs/dbraw/zinc/59/57/76/670595776.db2.gz	AOOZRMKMHJDFSJ-QWRGUYRKSA-N	-1	0	307.350	0.414	20	30		DCEDRM
C#CCO[N-]C(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O	ZINC000812787169	670596773	/nfs/dbraw/zinc/59/67/73/670596773.db2.gz	GEFPYPFDMVKXEG-GFCCVEGCSA-N	-1	0	318.251	0.299	20	30		DCEDRM
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[N-]OC1CCC1	ZINC000812791861	670596871	/nfs/dbraw/zinc/59/68/71/670596871.db2.gz	ASWLQEBZKNZHCN-SNVBAGLBSA-N	-1	0	323.374	0.825	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1CC(F)(F)F	ZINC000813095346	670611135	/nfs/dbraw/zinc/61/11/35/670611135.db2.gz	SAYHIRCKOXHAIH-SECBINFHSA-N	-1	0	312.313	0.482	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1	ZINC000813945049	670664774	/nfs/dbraw/zinc/66/47/74/670664774.db2.gz	FFDRULCWHGLRSW-LLVKDONJSA-N	-1	0	317.411	0.114	20	30		DCEDRM
COCCC1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCC1	ZINC000813981071	670667617	/nfs/dbraw/zinc/66/76/17/670667617.db2.gz	SEIQHRRLCKJMNO-UHFFFAOYSA-N	-1	0	323.374	0.965	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC000855048686	670674077	/nfs/dbraw/zinc/67/40/77/670674077.db2.gz	XXQGKHNPBPRCHE-SNVBAGLBSA-N	-1	0	308.359	0.525	20	30		DCEDRM
Cc1ccc(NC(=S)NN=C2C(=O)[N-]C(=O)NC2=O)cc1C	ZINC000814213505	670680877	/nfs/dbraw/zinc/68/08/77/670680877.db2.gz	CCHQZOBGXAWDKD-UHFFFAOYSA-N	-1	0	319.346	0.312	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1c(-n2ccnc2)nc2ccccn12	ZINC000814232357	670681689	/nfs/dbraw/zinc/68/16/89/670681689.db2.gz	RYTRRFQVYHCFAO-UHFFFAOYSA-N	-1	0	310.277	0.405	20	30		DCEDRM
CCn1ncn(N=Cc2ccc(OC)cc2OCC(=O)[O-])c1=O	ZINC000814235691	670682979	/nfs/dbraw/zinc/68/29/79/670682979.db2.gz	WACAXEPDOQPSMB-UHFFFAOYSA-N	-1	0	320.305	0.419	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1cccc(F)c1F	ZINC000849218631	670765717	/nfs/dbraw/zinc/76/57/17/670765717.db2.gz	DKJCOLIGTFZRGP-UHFFFAOYSA-N	-1	0	303.286	0.814	20	30		DCEDRM
COCCS(=O)(=O)[N-]C(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000815945339	670773794	/nfs/dbraw/zinc/77/37/94/670773794.db2.gz	CBTCVSZGTAQXJZ-UHFFFAOYSA-N	-1	0	311.363	0.330	20	30		DCEDRM
CO[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)C1	ZINC000816014639	670779543	/nfs/dbraw/zinc/77/95/43/670779543.db2.gz	IICWFFIKCNNDFH-WDEREUQCSA-N	-1	0	300.380	0.941	20	30		DCEDRM
CO[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000816095365	670786121	/nfs/dbraw/zinc/78/61/21/670786121.db2.gz	ZMRLKXBVYIXZJO-NEPJUHHUSA-N	-1	0	323.374	0.963	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000816668915	670832851	/nfs/dbraw/zinc/83/28/51/670832851.db2.gz	BEIZPFISIXPLTG-JTQLQIEISA-N	-1	0	303.293	0.831	20	30		DCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816733804	670852877	/nfs/dbraw/zinc/85/28/77/670852877.db2.gz	MMFIGRBLNCHHNI-UHFFFAOYSA-N	-1	0	303.278	0.489	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC000817114799	670896504	/nfs/dbraw/zinc/89/65/04/670896504.db2.gz	KWDMHQWSQPMIAI-CYBMUJFWSA-N	-1	0	300.314	0.217	20	30		DCEDRM
Cc1ccnc(S(=O)(=O)[N-]C(=O)CC2(C#N)CCOCC2)c1	ZINC000850840685	670947464	/nfs/dbraw/zinc/94/74/64/670947464.db2.gz	AHGDOAQHZMYRKX-UHFFFAOYSA-N	-1	0	323.374	0.905	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000850848972	670949367	/nfs/dbraw/zinc/94/93/67/670949367.db2.gz	KZHCFQPDIJDZFX-SECBINFHSA-N	-1	0	321.358	0.327	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1	ZINC000817900501	670951487	/nfs/dbraw/zinc/95/14/87/670951487.db2.gz	ULEVSKIVFBAFBQ-CABCVRRESA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ncoc1-c1ccon1	ZINC000850926120	670955411	/nfs/dbraw/zinc/95/54/11/670955411.db2.gz	IJFZGMOXCBQNTP-UHFFFAOYSA-N	-1	0	310.291	0.693	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@H](C)CC#N	ZINC000850951524	670957551	/nfs/dbraw/zinc/95/75/51/670957551.db2.gz	GXDMMKKHWRUEMN-SECBINFHSA-N	-1	0	307.331	0.922	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000850968384	670958628	/nfs/dbraw/zinc/95/86/28/670958628.db2.gz	BYSGIYLGQJPGLT-SSDOTTSWSA-N	-1	0	306.294	0.503	20	30		DCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C	ZINC000851174362	670972028	/nfs/dbraw/zinc/97/20/28/670972028.db2.gz	BYQYMNWJOAFLGZ-UHFFFAOYSA-N	-1	0	308.363	0.985	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)[N-]C(=O)COC(F)F)c1	ZINC000851191894	670972764	/nfs/dbraw/zinc/97/27/64/670972764.db2.gz	ROZMSWWXAONMTK-UHFFFAOYSA-N	-1	0	322.264	0.883	20	30		DCEDRM
COc1cc(CS(=O)(=O)[N-]C(=O)CC2(C#N)CC2)sn1	ZINC000851437230	670988443	/nfs/dbraw/zinc/98/84/43/670988443.db2.gz	BXERFDCFOUGPAD-UHFFFAOYSA-N	-1	0	315.376	0.792	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1cc(OC)ns1	ZINC000851436304	670988890	/nfs/dbraw/zinc/98/88/90/670988890.db2.gz	XATCRVPYJALXIP-UHFFFAOYSA-N	-1	0	306.365	0.300	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)NCC(CC)(CC)C(=O)[O-])[C@H]1CCCO1	ZINC000818657959	671042389	/nfs/dbraw/zinc/04/23/89/671042389.db2.gz	NCYATTLJYQUVBG-VXGBXAGGSA-N	-1	0	324.377	0.291	20	30		DCEDRM
C#CCCN(CCOC)CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000852751119	671156365	/nfs/dbraw/zinc/15/63/65/671156365.db2.gz	PNWFNECYHDUNJA-UHFFFAOYSA-N	-1	0	321.402	0.980	20	30		DCEDRM
COc1ccc2c(c1)OC[C@@H]2CC(=O)N[C@@H]1CCN(O)C1=O	ZINC000820147887	671171697	/nfs/dbraw/zinc/17/16/97/671171697.db2.gz	ABNHGAXGZIXJKQ-JOYOIKCWSA-N	-1	0	306.318	0.668	20	30		DCEDRM
O=C(CCCOc1ccc2c(c1)OCO2)N[C@H]1CCN(O)C1=O	ZINC000820148652	671171760	/nfs/dbraw/zinc/17/17/60/671171760.db2.gz	JDAQEGJVCNJWRJ-NSHDSACASA-N	-1	0	322.317	0.681	20	30		DCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1ccnc(Br)c1	ZINC000820149119	671172094	/nfs/dbraw/zinc/17/20/94/671172094.db2.gz	LUZAEADJDVWOLR-SSDOTTSWSA-N	-1	0	300.112	0.564	20	30		DCEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000852950744	671199264	/nfs/dbraw/zinc/19/92/64/671199264.db2.gz	MRHJDNCBRLAWRK-WOLCWHLNSA-N	-1	0	321.333	0.130	20	30		DCEDRM
CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000860447980	671209753	/nfs/dbraw/zinc/20/97/53/671209753.db2.gz	ZTUANXDFEZUSCR-LBPRGKRZSA-N	-1	0	309.347	0.134	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)c(C)o1	ZINC000860722149	671233638	/nfs/dbraw/zinc/23/36/38/671233638.db2.gz	SLKXWLBXYFBNIY-UHFFFAOYSA-N	-1	0	319.360	0.074	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CCC#N)ccc1-n1cncn1	ZINC000821583897	671284846	/nfs/dbraw/zinc/28/48/46/671284846.db2.gz	KTQPTRBDZUKHIK-UHFFFAOYSA-N	-1	0	319.346	0.549	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC[C@@]3(CC3(F)F)C2)c(=O)[n-]c1=O	ZINC000824238834	671424184	/nfs/dbraw/zinc/42/41/84/671424184.db2.gz	ITRXSEAXDKXYLL-CYBMUJFWSA-N	-1	0	324.287	0.468	20	30		DCEDRM
C[C@H]1CCCN(C(=O)Cn2cnc(C#N)c2-c2nn[nH]n2)C1	ZINC000824937804	671444617	/nfs/dbraw/zinc/44/46/17/671444617.db2.gz	RKVUVZUYJDUNKW-VIFPVBQESA-N	-1	0	300.326	0.193	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](CC(=O)NOCC#C)c1ccc(C)cc1	ZINC000825137322	671450480	/nfs/dbraw/zinc/45/04/80/671450480.db2.gz	MWGVPHLBOIPNMQ-OAHLLOKOSA-N	-1	0	314.341	0.831	20	30		DCEDRM
CCc1nn(CC#CCOC)c(=O)c(-c2nnn[n-]2)c1CC	ZINC000825762751	671471730	/nfs/dbraw/zinc/47/17/30/671471730.db2.gz	HQSGJOYNIJCQSY-UHFFFAOYSA-N	-1	0	302.338	0.198	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCCCS2)[n-]c1-c1nn[nH]n1	ZINC000826382859	671487201	/nfs/dbraw/zinc/48/72/01/671487201.db2.gz	YABKPGMXBZVYCB-ZETCQYMHSA-N	-1	0	304.339	0.686	20	30		DCEDRM
C=CC[C@@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1	ZINC000867101321	671750637	/nfs/dbraw/zinc/75/06/37/671750637.db2.gz	SUIADWODPGQMLC-WLRWDXFRSA-N	-1	0	318.420	0.915	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1	ZINC000835275414	671792448	/nfs/dbraw/zinc/79/24/48/671792448.db2.gz	DIOLBLARGFYJIS-QMMMGPOBSA-N	-1	0	302.739	0.578	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F	ZINC000835345131	671793943	/nfs/dbraw/zinc/79/39/43/671793943.db2.gz	CRBDAQCHDBYNDT-SCZZXKLOSA-N	-1	0	300.311	0.617	20	30		DCEDRM
COc1ccc(COCC(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000835411754	671795870	/nfs/dbraw/zinc/79/58/70/671795870.db2.gz	OMQLYIPLJOGSQG-UHFFFAOYSA-N	-1	0	312.347	0.571	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1nc(CC)cs1	ZINC000835589297	671800930	/nfs/dbraw/zinc/80/09/30/671800930.db2.gz	FOAWPCNKOKTQFL-QMMMGPOBSA-N	-1	0	302.377	0.549	20	30		DCEDRM
C=CCONC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000837048422	671843973	/nfs/dbraw/zinc/84/39/73/671843973.db2.gz	PCGUIOASXLLVBF-UHFFFAOYSA-N	-1	0	300.336	0.490	20	30		DCEDRM
C=CCO[N-]C(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O	ZINC000837047318	671844223	/nfs/dbraw/zinc/84/42/23/671844223.db2.gz	GJQCFMYAACGICB-QHBPRCKVSA-N	-1	0	309.366	0.967	20	30		DCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cnc(Cl)n1C	ZINC000837292777	671855016	/nfs/dbraw/zinc/85/50/16/671855016.db2.gz	QYJSDIUCLWHVJB-SSDOTTSWSA-N	-1	0	307.759	0.771	20	30		DCEDRM
CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC1=O	ZINC000842329839	672005837	/nfs/dbraw/zinc/00/58/37/672005837.db2.gz	PKLLNFFEARSJQQ-JTQLQIEISA-N	-1	0	315.395	0.241	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)Cc1cnn2ccccc12	ZINC000842751959	672033710	/nfs/dbraw/zinc/03/37/10/672033710.db2.gz	FEKNWRUZNDQBFC-UHFFFAOYSA-N	-1	0	320.374	0.873	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cc[n+]([O-])cc2)CCCCC1	ZINC000842758223	672034938	/nfs/dbraw/zinc/03/49/38/672034938.db2.gz	HGLFVPRHXBHBNG-UHFFFAOYSA-N	-1	0	323.374	0.854	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-]	ZINC000867341706	672131885	/nfs/dbraw/zinc/13/18/85/672131885.db2.gz	OYFNZPRAGBRJRL-QMMMGPOBSA-N	-1	0	309.265	0.683	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000844782830	672202338	/nfs/dbraw/zinc/20/23/38/672202338.db2.gz	JLUMLTXUDQJMRH-MRVPVSSYSA-N	-1	0	313.335	0.839	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000844802099	672204091	/nfs/dbraw/zinc/20/40/91/672204091.db2.gz	VDWNGLFAYSCKLJ-SNVBAGLBSA-N	-1	0	302.333	0.142	20	30		DCEDRM
C[C@H]1C[C@@H](S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)CCO1	ZINC000844818169	672204452	/nfs/dbraw/zinc/20/44/52/672204452.db2.gz	VMSPRTQLRFRHDW-AAEUAGOBSA-N	-1	0	315.391	0.684	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844818016	672204725	/nfs/dbraw/zinc/20/47/25/672204725.db2.gz	UNOMFARYJODSGK-LLVKDONJSA-N	-1	0	313.379	0.123	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(C(=O)N(C)C)c1	ZINC000846150633	672297592	/nfs/dbraw/zinc/29/75/92/672297592.db2.gz	KVWMFIWTUBTZKX-UHFFFAOYSA-N	-1	0	305.334	0.951	20	30		DCEDRM
C=C[C@@H](C)ONC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000846551081	672326779	/nfs/dbraw/zinc/32/67/79/672326779.db2.gz	WHSRXJPTHPHSLJ-SECBINFHSA-N	-1	0	314.363	0.878	20	30		DCEDRM
COCCC1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000813984851	685351712	/nfs/dbraw/zinc/35/17/12/685351712.db2.gz	DBSXFRYBIUEPHB-UHFFFAOYSA-N	-1	0	309.347	0.575	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N(C)[C@@H]2CCN(C)C2=O)cc1C#N	ZINC001771704745	1157926041	/nfs/dbraw/zinc/92/60/41/1157926041.db2.gz	IOICVADIMJWQIQ-SNVBAGLBSA-N	-1	0	320.374	0.683	20	30		DCEDRM
N#Cc1c(N)nc(=NC2CC2)n(-c2ccc(C(=O)[O-])cc2)c1N	ZINC001176711235	1158851636	/nfs/dbraw/zinc/85/16/36/1158851636.db2.gz	MVJMPYVEQJHWOX-UHFFFAOYSA-N	-1	0	310.317	0.670	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	ZINC001604484324	1159789947	/nfs/dbraw/zinc/78/99/47/1159789947.db2.gz	FTOCKRUKDUIRON-SCVCMEIPSA-N	-1	0	302.352	0.184	20	30		DCEDRM
N#CCC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1	ZINC001608177837	1159802896	/nfs/dbraw/zinc/80/28/96/1159802896.db2.gz	FQMYNJRJWAKWOB-UHFFFAOYSA-N	-1	0	310.331	0.216	20	30		DCEDRM
COc1ccc(-n2cc([O-])c(C(=O)NCC#CCO)n2)cc1	ZINC001568142251	1160584601	/nfs/dbraw/zinc/58/46/01/1160584601.db2.gz	PXEXCLMMTNMRGA-UHFFFAOYSA-N	-1	0	301.302	0.312	20	30		DCEDRM
C=CCO[N-]C(=O)CNc1ccc(S(N)(=O)=O)cc1F	ZINC001569150822	1160961753	/nfs/dbraw/zinc/96/17/53/1160961753.db2.gz	NRJUXQGGYHBVAX-UHFFFAOYSA-N	-1	0	303.315	0.119	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001569905276	1161310012	/nfs/dbraw/zinc/31/00/12/1161310012.db2.gz	AKBSXBNRYFJGSR-STQMWFEESA-N	-1	0	317.393	0.735	20	30		DCEDRM
C=CCCCN1CCOC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001570062764	1161405819	/nfs/dbraw/zinc/40/58/19/1161405819.db2.gz	QNKDFEYZSQSXMS-GFCCVEGCSA-N	-1	0	308.382	0.821	20	30		DCEDRM
C=CCn1cccc1C(=O)NCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001573378656	1163419955	/nfs/dbraw/zinc/41/99/55/1163419955.db2.gz	ISYXJUFXPRMDLR-QWRGUYRKSA-N	-1	0	305.334	0.241	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)[C@]1(C#N)CC2CCC1CC2)C(=O)[O-]	ZINC001573553554	1163492345	/nfs/dbraw/zinc/49/23/45/1163492345.db2.gz	MAJQCZTYUFMAIL-IHYZOFPASA-N	-1	0	321.377	0.800	20	30		DCEDRM
C[C@H](Nc1cnc(C#N)c(C#N)n1)C1(C(=O)[O-])CCOCC1	ZINC001573580289	1163509116	/nfs/dbraw/zinc/50/91/16/1163509116.db2.gz	YUYQOOUBMZPBEP-VIFPVBQESA-N	-1	0	301.306	0.902	20	30		DCEDRM
C[C@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)c1ccc(C#N)nc1	ZINC001573654355	1163522975	/nfs/dbraw/zinc/52/29/75/1163522975.db2.gz	HVJFPKZIFFZHQZ-VIFPVBQESA-N	-1	0	311.301	0.892	20	30		DCEDRM
CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1coc(C#N)c1	ZINC001573865139	1163572422	/nfs/dbraw/zinc/57/24/22/1163572422.db2.gz	SBURCCRBTPQNEY-JTQLQIEISA-N	-1	0	319.317	0.546	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H]1c1n[nH]nc1C(=O)[O-]	ZINC001574110975	1163638465	/nfs/dbraw/zinc/63/84/65/1163638465.db2.gz	AZPATTJEAICIHZ-JTQLQIEISA-N	-1	0	314.305	0.988	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CCC(C(=O)NCC(=O)[O-])CC1	ZINC001574112237	1163638556	/nfs/dbraw/zinc/63/85/56/1163638556.db2.gz	KACPQQHMTBPFAH-UHFFFAOYSA-N	-1	0	318.333	0.248	20	30		DCEDRM
Cc1cc(NC(=O)N2CC([C@H](F)C(=O)[O-])C2)nn1CCC#N	ZINC001574141044	1163647517	/nfs/dbraw/zinc/64/75/17/1163647517.db2.gz	GFLCWYGPIBSYOU-NSHDSACASA-N	-1	0	309.301	0.992	20	30		DCEDRM
CC1(C)CO[C@H](CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)C1	ZINC001575737796	1164126329	/nfs/dbraw/zinc/12/63/29/1164126329.db2.gz	DPAMFEYAHHRXQM-SSDOTTSWSA-N	-1	0	316.325	0.605	20	30		DCEDRM
C[C@@H]1CSCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001576377686	1164319516	/nfs/dbraw/zinc/31/95/16/1164319516.db2.gz	KMPJCMMWJGNNIU-QMMMGPOBSA-N	-1	0	302.367	0.718	20	30		DCEDRM
CC[C@H](CC#N)NCc1cc(=O)n2[n-]cc(-c3nn[nH]n3)c2n1	ZINC001576691006	1164432517	/nfs/dbraw/zinc/43/25/17/1164432517.db2.gz	PLRDGZSYJNCGLP-MRVPVSSYSA-N	-1	0	313.325	0.397	20	30		DCEDRM
COC(=O)C1=CC[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001579439017	1165310337	/nfs/dbraw/zinc/31/03/37/1165310337.db2.gz	CLZCBEUOLQDOMT-QMMMGPOBSA-N	-1	0	312.293	0.202	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1c(C)nc[nH]c1=O	ZINC001579857509	1165413128	/nfs/dbraw/zinc/41/31/28/1165413128.db2.gz	SVZRLDBIKBAGEV-SECBINFHSA-N	-1	0	306.366	0.937	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O	ZINC001580768872	1165714745	/nfs/dbraw/zinc/71/47/45/1165714745.db2.gz	PSEDOKXBRIPAQY-UHFFFAOYSA-N	-1	0	323.316	0.666	20	30		DCEDRM
C=CCOCC(=O)N(CCNC(=O)c1[nH]nc(C)c1[O-])C1CC1	ZINC001581459095	1165830959	/nfs/dbraw/zinc/83/09/59/1165830959.db2.gz	YIMQYTSQEODRAP-UHFFFAOYSA-N	-1	0	322.365	0.347	20	30		DCEDRM
Cn1cc(Cl)c(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)n1	ZINC001581774490	1165872560	/nfs/dbraw/zinc/87/25/60/1165872560.db2.gz	NJGVXBPLAHTHPK-UHFFFAOYSA-N	-1	0	316.716	0.527	20	30		DCEDRM
N#CCNCC1(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1	ZINC001581857536	1165890003	/nfs/dbraw/zinc/89/00/03/1165890003.db2.gz	BWIPKZYVLGPHTG-UHFFFAOYSA-N	-1	0	314.353	0.208	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1C[C@@H]1COc2ccccc2O1	ZINC001581860905	1165894214	/nfs/dbraw/zinc/89/42/14/1165894214.db2.gz	ZFJLGDQSLIJSDY-MRVPVSSYSA-N	-1	0	324.304	0.357	20	30		DCEDRM
N#Cc1cccc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)c1F	ZINC001581874768	1165896978	/nfs/dbraw/zinc/89/69/78/1165896978.db2.gz	GXJGDOXGOBFLFK-UHFFFAOYSA-N	-1	0	313.252	0.188	20	30		DCEDRM
N#Cc1ncc(NC[C@@H](O)c2ccsc2)nc1-c1nnn[n-]1	ZINC001581883289	1165900837	/nfs/dbraw/zinc/90/08/37/1165900837.db2.gz	VAUHQHYVZUUBEZ-SECBINFHSA-N	-1	0	314.334	0.735	20	30		DCEDRM
N#Cc1nc(Sc2nc(CO)cs2)cnc1-c1nnn[n-]1	ZINC001581881275	1165902076	/nfs/dbraw/zinc/90/20/76/1165902076.db2.gz	SZSPVDHNAATPGH-UHFFFAOYSA-N	-1	0	318.347	0.628	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001582085548	1165952649	/nfs/dbraw/zinc/95/26/49/1165952649.db2.gz	DOMDDUBGACBYDI-SNVBAGLBSA-N	-1	0	306.366	0.967	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001582996162	1166164072	/nfs/dbraw/zinc/16/40/72/1166164072.db2.gz	HEYOPUKUSGTZLL-BMIGLBTASA-N	-1	0	324.381	0.233	20	30		DCEDRM
C#C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)[C@H]1CCCO1	ZINC001588330233	1166525921	/nfs/dbraw/zinc/52/59/21/1166525921.db2.gz	XQAAPAXJKQVLIM-WCQYABFASA-N	-1	0	313.317	0.483	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1	ZINC001588394676	1166548789	/nfs/dbraw/zinc/54/87/89/1166548789.db2.gz	DUKGUCWJBVNTCJ-UHFFFAOYSA-N	-1	0	316.369	0.209	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12)C(=O)[O-]	ZINC001588414731	1166550562	/nfs/dbraw/zinc/55/05/62/1166550562.db2.gz	YJQBRXRATNPGNF-LLVKDONJSA-N	-1	0	324.296	0.382	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(-n2nnnc2C)cc1F)C(=O)[O-]	ZINC001588414630	1166551681	/nfs/dbraw/zinc/55/16/81/1166551681.db2.gz	OYXDAJVQUPNVQE-GFCCVEGCSA-N	-1	0	317.280	0.316	20	30		DCEDRM
C=CCN(CC(=O)OCC)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001588628172	1166572226	/nfs/dbraw/zinc/57/22/26/1166572226.db2.gz	SYQYCVNOCXMHKW-UHFFFAOYSA-N	-1	0	314.309	0.084	20	30		DCEDRM
C=CCn1nnnc1Sc1cc(-c2nn[nH]n2)nc(C)n1	ZINC001588717221	1166580965	/nfs/dbraw/zinc/58/09/65/1166580965.db2.gz	UVALDTPDRUDUTG-UHFFFAOYSA-N	-1	0	302.327	0.289	20	30		DCEDRM
C=C[C@H](CO)NC(=O)N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21	ZINC001588728473	1166582061	/nfs/dbraw/zinc/58/20/61/1166582061.db2.gz	QXQPAQNSOZFSNT-DGCLKSJQSA-N	-1	0	314.349	0.700	20	30		DCEDRM
C=CCS(=O)(=O)CCNc1ncc(-c2nn[nH]n2)cc1F	ZINC001588688351	1166583068	/nfs/dbraw/zinc/58/30/68/1166583068.db2.gz	DHAOBEUJORZOCX-UHFFFAOYSA-N	-1	0	312.330	0.414	20	30		DCEDRM
C[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)[C@H]1CCCO1	ZINC001589024950	1166629608	/nfs/dbraw/zinc/62/96/08/1166629608.db2.gz	GCIKFPNJIVEPBY-HTRCEHHLSA-N	-1	0	302.298	0.215	20	30		DCEDRM
CC(C)(CNc1cnc(C#N)c(-c2nnn[n-]2)n1)n1cccn1	ZINC001589292413	1166644402	/nfs/dbraw/zinc/64/44/02/1166644402.db2.gz	MQBIPEDMQATNFF-UHFFFAOYSA-N	-1	0	310.325	0.572	20	30		DCEDRM
CC(C)COC(=O)N(C)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC001589638438	1166671261	/nfs/dbraw/zinc/67/12/61/1166671261.db2.gz	YXXPUGWJHNOFPT-UHFFFAOYSA-N	-1	0	304.314	0.617	20	30		DCEDRM
CC(C)S(=O)(=O)CCCn1cnc(-c2nnn[n-]2)c1C#N	ZINC001589759451	1166683300	/nfs/dbraw/zinc/68/33/00/1166683300.db2.gz	SEVSMDYZPPACJG-UHFFFAOYSA-N	-1	0	309.355	0.148	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[nH]n1	ZINC001589788189	1166687448	/nfs/dbraw/zinc/68/74/48/1166687448.db2.gz	WFKBNMWFZBKICY-MRVPVSSYSA-N	-1	0	320.334	0.221	20	30		DCEDRM
CC[C@@H]1CO[C@@H](C)CN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590522775	1166933053	/nfs/dbraw/zinc/93/30/53/1166933053.db2.gz	HGCNMHZSUJJIHT-DTWKUNHWSA-N	-1	0	300.326	0.532	20	30		DCEDRM
COC(=O)C1(Cn2cnc(-c3nnn[n-]3)c2C#N)CCCC1	ZINC001591242739	1167172775	/nfs/dbraw/zinc/17/27/75/1167172775.db2.gz	WZFGYSSXKYQAPK-UHFFFAOYSA-N	-1	0	301.310	0.668	20	30		DCEDRM
CO[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1ccccc1	ZINC001591315746	1167208735	/nfs/dbraw/zinc/20/87/35/1167208735.db2.gz	IKBBAOCCXPBHCM-NSHDSACASA-N	-1	0	324.304	0.788	20	30		DCEDRM
CON=CC(=O)Nc1ccccc1-n1cnc(-c2nnn[n-]2)n1	ZINC001591467387	1167300098	/nfs/dbraw/zinc/30/00/98/1167300098.db2.gz	MOYWMKGDCJRVCO-UHFFFAOYSA-N	-1	0	313.281	0.018	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1Cn1cncc(-c2nnn[n-]2)c1=O	ZINC001591905624	1167416240	/nfs/dbraw/zinc/41/62/40/1167416240.db2.gz	BPXICUFHUAAUOJ-UHFFFAOYSA-N	-1	0	307.317	0.960	20	30		DCEDRM
Cc1[nH]nc(C=Nn2c(C)cc(C)c(-c3nnn[n-]3)c2=O)c1C	ZINC001591957347	1167425931	/nfs/dbraw/zinc/42/59/31/1167425931.db2.gz	UQMPADHAGKZOPI-UHFFFAOYSA-N	-1	0	312.337	0.867	20	30		DCEDRM
N#C[C@@H]1CCCN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)C1	ZINC001592672372	1167593274	/nfs/dbraw/zinc/59/32/74/1167593274.db2.gz	GWSMJILKRJIEJK-QMMMGPOBSA-N	-1	0	324.391	0.852	20	30		DCEDRM
N#Cc1ccc(C(=O)Cn2cnc(-c3nnn[n-]3)cc2=O)cc1	ZINC001592690316	1167602454	/nfs/dbraw/zinc/60/24/54/1167602454.db2.gz	RUDCTUWXGXVTTD-UHFFFAOYSA-N	-1	0	307.273	0.178	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1	ZINC001596593493	1167994982	/nfs/dbraw/zinc/99/49/82/1167994982.db2.gz	SNOVQGBHQIIMLY-UHFFFAOYSA-N	-1	0	310.354	0.399	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c(C(=O)[O-])s1	ZINC001600245761	1168146710	/nfs/dbraw/zinc/14/67/10/1168146710.db2.gz	UZOMFVSOUSEESU-QMMMGPOBSA-N	-1	0	323.330	0.444	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC(O)(CC#N)C1	ZINC001600355579	1168174287	/nfs/dbraw/zinc/17/42/87/1168174287.db2.gz	YPWCLSQLYCFXKD-UHFFFAOYSA-N	-1	0	303.318	0.592	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c(C#N)c1	ZINC001600474842	1168189739	/nfs/dbraw/zinc/18/97/39/1168189739.db2.gz	BVMBYNJFCXBABR-NWDGAFQWSA-N	-1	0	324.358	0.323	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)c(C#N)c1	ZINC001600478354	1168189903	/nfs/dbraw/zinc/18/99/03/1168189903.db2.gz	VDZWDRFZVGGFHZ-JQWIXIFHSA-N	-1	0	324.358	0.729	20	30		DCEDRM
Cc1cccc(N(CC(=O)[O-])C(=O)[C@@H](C)n2cnc(C#N)n2)n1	ZINC001600537859	1168197001	/nfs/dbraw/zinc/19/70/01/1168197001.db2.gz	RCJOXDNKCDJUCK-SNVBAGLBSA-N	-1	0	314.305	0.532	20	30		DCEDRM
Cc1nn(CC(=O)N(CC#N)CCC(=O)[O-])c2ncccc12	ZINC001600779132	1168291563	/nfs/dbraw/zinc/29/15/63/1168291563.db2.gz	TXCDLYRMUYVIRP-UHFFFAOYSA-N	-1	0	301.306	0.567	20	30		DCEDRM
Cn1c(-c2ccnc(C#N)c2)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001600893129	1168496238	/nfs/dbraw/zinc/49/62/38/1168496238.db2.gz	SMWUWJCSOPYJHQ-CQSZACIVSA-N	-1	0	316.296	0.752	20	30		DCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2cccc(C(=O)[O-])n2)c1=O	ZINC001600896509	1168497537	/nfs/dbraw/zinc/49/75/37/1168497537.db2.gz	ZWPSTPJIIRVNRD-AATRIKPKSA-N	-1	0	301.258	0.475	20	30		DCEDRM
Cn1c(CN(CC#N)CCC(=O)[O-])nc2ccccc2c1=O	ZINC001600913362	1168505341	/nfs/dbraw/zinc/50/53/41/1168505341.db2.gz	WHFPSMVWMAVWRU-UHFFFAOYSA-N	-1	0	300.318	0.734	20	30		DCEDRM
Cn1cc(-c2n[nH]cc2C(=O)N(CC#N)CCC(=O)[O-])cn1	ZINC001600925465	1168510094	/nfs/dbraw/zinc/51/00/94/1168510094.db2.gz	JROATCZFZMSFAI-UHFFFAOYSA-N	-1	0	302.294	0.251	20	30		DCEDRM
Cn1cc(/C=C\C(=O)c2cn(CC(=O)[O-])nn2)c(C(F)F)n1	ZINC001600946574	1168525398	/nfs/dbraw/zinc/52/53/98/1168525398.db2.gz	RBVRKJMLXDSLQS-IHWYPQMZSA-N	-1	0	311.248	0.930	20	30		DCEDRM
Cn1nc2c(c1C(=O)N1CCC(C#N)(C(=O)[O-])CC1)CCC2	ZINC001601017111	1168565041	/nfs/dbraw/zinc/56/50/41/1168565041.db2.gz	KAGRPQYODKMXNN-UHFFFAOYSA-N	-1	0	302.334	0.739	20	30		DCEDRM
Cn1ncc(C(=O)[O-])c1NC(=O)N1CCN(CCC#N)CC1	ZINC001601023561	1168568821	/nfs/dbraw/zinc/56/88/21/1168568821.db2.gz	VPIYVSYDINQRGO-UHFFFAOYSA-N	-1	0	306.326	0.181	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCn3ncnc32)CC1	ZINC001601048684	1168577581	/nfs/dbraw/zinc/57/75/81/1168577581.db2.gz	IKWYWRZGPYRXHW-SNVBAGLBSA-N	-1	0	303.322	0.372	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1	ZINC001601049762	1168577760	/nfs/dbraw/zinc/57/77/60/1168577760.db2.gz	WKWBNGYFZZBZID-SNVBAGLBSA-N	-1	0	303.322	0.057	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCCC23OCCO3)CC1	ZINC001601051205	1168577836	/nfs/dbraw/zinc/57/78/36/1168577836.db2.gz	GHNWNNWSFJXUGV-LLVKDONJSA-N	-1	0	323.349	0.682	20	30		DCEDRM
N#CC1(CC(=O)OCc2cnc(C(=O)[O-])cn2)CCOCC1	ZINC001601054750	1168578189	/nfs/dbraw/zinc/57/81/89/1168578189.db2.gz	RNMKLAPWGHFEMG-UHFFFAOYSA-N	-1	0	305.290	0.928	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCC(CC(=O)[O-])CC2)C1	ZINC001601057509	1168578495	/nfs/dbraw/zinc/57/84/95/1168578495.db2.gz	BEDMHTTVCITMHG-AWEZNQCLSA-N	-1	0	311.313	0.164	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])CCO1	ZINC001601060621	1168578837	/nfs/dbraw/zinc/57/88/37/1168578837.db2.gz	FNLCDKKWCABFJQ-UONOGXRCSA-N	-1	0	317.345	0.864	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])CCCC1	ZINC001601058665	1168579259	/nfs/dbraw/zinc/57/92/59/1168579259.db2.gz	WZDKHRLKZSBCMJ-SNVBAGLBSA-N	-1	0	318.420	0.902	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])s2)CC1	ZINC001601061534	1168579355	/nfs/dbraw/zinc/57/93/55/1168579355.db2.gz	VUEHCUIHDBSKOK-UHFFFAOYSA-N	-1	0	307.331	0.644	20	30		DCEDRM
N#CCCCNC(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl	ZINC001601065075	1168579551	/nfs/dbraw/zinc/57/95/51/1168579551.db2.gz	CCTDZYDPDVPACJ-UHFFFAOYSA-N	-1	0	310.697	0.792	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1	ZINC001601063929	1168579556	/nfs/dbraw/zinc/57/95/56/1168579556.db2.gz	DXISSASEJACEFP-JTQLQIEISA-N	-1	0	306.326	0.312	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CCO1	ZINC001601063037	1168579737	/nfs/dbraw/zinc/57/97/37/1168579737.db2.gz	MZLYLQWEGAPPMP-NSHDSACASA-N	-1	0	310.331	0.227	20	30		DCEDRM
N#CCCN(Cc1cn(CC(=O)[O-])nn1)Cc1cccnc1	ZINC001601067886	1168580441	/nfs/dbraw/zinc/58/04/41/1168580441.db2.gz	RPKQKCQISXGTLM-UHFFFAOYSA-N	-1	0	300.322	0.674	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(N2C(=O)CCC2=O)cc1	ZINC001601069483	1168580486	/nfs/dbraw/zinc/58/04/86/1168580486.db2.gz	MFMVELMSCNIOBM-UHFFFAOYSA-N	-1	0	315.285	0.390	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccc2c(c1)OCC(=O)N2	ZINC001601072005	1168581226	/nfs/dbraw/zinc/58/12/26/1168581226.db2.gz	MLSLZQGGYSWJAK-UHFFFAOYSA-N	-1	0	303.274	0.458	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)CC[C@H]1CCCCO1	ZINC001601072907	1168581512	/nfs/dbraw/zinc/58/15/12/1168581512.db2.gz	RZZNIQUHKDHPSS-LLVKDONJSA-N	-1	0	304.368	0.576	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cc1	ZINC001601073566	1168581661	/nfs/dbraw/zinc/58/16/61/1168581661.db2.gz	CCQMPEFSWOZCHC-ZFWWWQNUSA-N	-1	0	318.329	0.568	20	30		DCEDRM
N#CCOc1cc(F)ccc1NC(=O)C(=O)NC1(C(=O)[O-])CC1	ZINC001601073866	1168581965	/nfs/dbraw/zinc/58/19/65/1168581965.db2.gz	QLAUVAUOBZWCSV-UHFFFAOYSA-N	-1	0	321.264	0.400	20	30		DCEDRM
N#Cc1cc(=O)n(CC(=O)NC2(C(=O)[O-])CCCCC2)cn1	ZINC001601084854	1168583428	/nfs/dbraw/zinc/58/34/28/1168583428.db2.gz	GRWZGNKGUKGWNF-UHFFFAOYSA-N	-1	0	304.306	0.019	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c(F)c1	ZINC001601087058	1168583542	/nfs/dbraw/zinc/58/35/42/1168583542.db2.gz	AVSRAFYRQNZSOS-IUCAKERBSA-N	-1	0	310.256	0.744	20	30		DCEDRM
N#Cc1cc(CNC(=O)CCc2ocnc2C(=O)[O-])ccn1	ZINC001601087283	1168583644	/nfs/dbraw/zinc/58/36/44/1168583644.db2.gz	AHAGHCXMTQSKDK-UHFFFAOYSA-N	-1	0	300.274	0.888	20	30		DCEDRM
N#Cc1cc(Br)cnc1NC[C@@H](O)CC(=O)[O-]	ZINC001601084817	1168583657	/nfs/dbraw/zinc/58/36/57/1168583657.db2.gz	NXKJZGIPEKGERF-QMMMGPOBSA-N	-1	0	300.112	0.963	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])c(N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1F	ZINC001601091026	1168584063	/nfs/dbraw/zinc/58/40/63/1168584063.db2.gz	HQICOTSVKGAORE-DTWKUNHWSA-N	-1	0	309.253	0.877	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1Cl	ZINC001601092033	1168584206	/nfs/dbraw/zinc/58/42/06/1168584206.db2.gz	GDAKCFJIQVYRCH-LLVKDONJSA-N	-1	0	321.720	0.627	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])nc1	ZINC001601093642	1168584216	/nfs/dbraw/zinc/58/42/16/1168584216.db2.gz	CUAOFUCXSMTKML-ZWNOBZJWSA-N	-1	0	303.318	0.953	20	30		DCEDRM
N#Cc1ccc(CN(CCN2CCOCC2)CC(=O)[O-])nc1	ZINC001601097835	1168584631	/nfs/dbraw/zinc/58/46/31/1168584631.db2.gz	MXWVRKLCQBYDAZ-UHFFFAOYSA-N	-1	0	304.350	0.172	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)s1	ZINC001601100027	1168584733	/nfs/dbraw/zinc/58/47/33/1168584733.db2.gz	HFCXTAUUVCPWCS-DTWKUNHWSA-N	-1	0	309.347	0.597	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cn1	ZINC001601098550	1168584867	/nfs/dbraw/zinc/58/48/67/1168584867.db2.gz	PIFJSGJTILFKPI-CQSZACIVSA-N	-1	0	303.318	0.180	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1	ZINC001601106755	1168585946	/nfs/dbraw/zinc/58/59/46/1168585946.db2.gz	BBCGBVBHEZJMPG-LBPRGKRZSA-N	-1	0	301.302	0.866	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)nc1	ZINC001601106739	1168586519	/nfs/dbraw/zinc/58/65/19/1168586519.db2.gz	ACEYMOZQMPQNNM-UHFFFAOYSA-N	-1	0	316.317	0.605	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1	ZINC001601110209	1168586785	/nfs/dbraw/zinc/58/67/85/1168586785.db2.gz	NEBHXKCEBWNHGG-TZMCWYRMSA-N	-1	0	304.302	0.374	20	30		DCEDRM
N#Cc1cccc([C@H]2CN(Cn3cnc(C(=O)[O-])n3)CCO2)c1	ZINC001601119985	1168587490	/nfs/dbraw/zinc/58/74/90/1168587490.db2.gz	DADPKHUDZYWDKY-CYBMUJFWSA-N	-1	0	313.317	0.879	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-])CC2	ZINC001601115406	1168587829	/nfs/dbraw/zinc/58/78/29/1168587829.db2.gz	OKPIFMSGXMJKDP-VXGBXAGGSA-N	-1	0	313.313	0.284	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CN2CCO[C@H](CC(=O)[O-])C2)c1	ZINC001601122246	1168588084	/nfs/dbraw/zinc/58/80/84/1168588084.db2.gz	GXLFOWKXDDAIRE-CQSZACIVSA-N	-1	0	317.345	0.350	20	30		DCEDRM
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](CO)C(=O)[O-]	ZINC001601125486	1168588091	/nfs/dbraw/zinc/58/80/91/1168588091.db2.gz	IKNGIQRGCFRPSJ-GFCCVEGCSA-N	-1	0	319.317	0.229	20	30		DCEDRM
N#Cc1cccc([N+](=O)[O-])c1Cn1nc(C(=O)[O-])ccc1=O	ZINC001601124891	1168588705	/nfs/dbraw/zinc/58/87/05/1168588705.db2.gz	XFJZGWKBLJJHGO-UHFFFAOYSA-N	-1	0	300.230	0.770	20	30		DCEDRM
N#Cc1ccnc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])c1	ZINC001601127199	1168590188	/nfs/dbraw/zinc/59/01/88/1168590188.db2.gz	FMVFMGWNEIOSBO-SNVBAGLBSA-N	-1	0	305.290	0.289	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c1	ZINC001601130160	1168590834	/nfs/dbraw/zinc/59/08/34/1168590834.db2.gz	AIUJTSFWWMWKAA-DNIRFERGSA-N	-1	0	321.358	0.731	20	30		DCEDRM
N#Cc1csc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1	ZINC001601130643	1168591110	/nfs/dbraw/zinc/59/11/10/1168591110.db2.gz	JCPACDWMWWBCSQ-UHFFFAOYSA-N	-1	0	323.374	0.479	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001601135433	1168592630	/nfs/dbraw/zinc/59/26/30/1168592630.db2.gz	VYGJNOJPBLBTCW-DBIOUOCHSA-N	-1	0	321.358	0.731	20	30		DCEDRM
N#Cc1nccnc1NC/C=C\CNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001601134905	1168592970	/nfs/dbraw/zinc/59/29/70/1168592970.db2.gz	BTIYUQNCDWHDJS-BSANDHCLSA-N	-1	0	301.306	0.153	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CC[C@H](CN2CCOC2=O)C1	ZINC001601133756	1168593537	/nfs/dbraw/zinc/59/35/37/1168593537.db2.gz	UUJSUQBYFLTWCN-JTQLQIEISA-N	-1	0	316.317	0.930	20	30		DCEDRM
O=C(C#CC1CC1)NCCC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001601223127	1168666385	/nfs/dbraw/zinc/66/63/85/1168666385.db2.gz	BZYONETWLUWXMC-STQMWFEESA-N	-1	0	318.373	0.523	20	30		DCEDRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)C#CC2CC2)CC1	ZINC001601779153	1168884465	/nfs/dbraw/zinc/88/44/65/1168884465.db2.gz	OMVHTZIFSURKIF-QWHCGFSZSA-N	-1	0	304.346	0.181	20	30		DCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC001602670381	1169155291	/nfs/dbraw/zinc/15/52/91/1169155291.db2.gz	UMHZHZOEJMQYLP-QMMMGPOBSA-N	-1	0	320.301	0.478	20	30		DCEDRM
C#C[C@H](C)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC001602670387	1169155904	/nfs/dbraw/zinc/15/59/04/1169155904.db2.gz	UNPPFPRSVLHZNE-CABZTGNLSA-N	-1	0	302.286	0.003	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1	ZINC001602679551	1169156873	/nfs/dbraw/zinc/15/68/73/1169156873.db2.gz	YLXAOWZVQSGZFL-UHFFFAOYSA-N	-1	0	304.277	0.436	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)C1	ZINC001602678832	1169157180	/nfs/dbraw/zinc/15/71/80/1169157180.db2.gz	QLNAFAYUBBBMSK-UHFFFAOYSA-N	-1	0	318.304	0.826	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H](CC#CC)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001602684629	1169158642	/nfs/dbraw/zinc/15/86/42/1169158642.db2.gz	BZHIOCBSSJJXRH-VXGBXAGGSA-N	-1	0	322.361	0.886	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001602683258	1169158862	/nfs/dbraw/zinc/15/88/62/1169158862.db2.gz	MZTJPOKWEGORPO-SLEUVZQESA-N	-1	0	310.350	0.157	20	30		DCEDRM
C#C[C@H]1CCCN(Cn2cc3c(c(-c4nnn[n-]4)c2=O)CCC3)C1	ZINC001602696811	1169161925	/nfs/dbraw/zinc/16/19/25/1169161925.db2.gz	NXSCUXALUUWYGU-LBPRGKRZSA-N	-1	0	324.388	0.820	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)[O-]	ZINC001602692486	1169162933	/nfs/dbraw/zinc/16/29/33/1169162933.db2.gz	NUGWLXJEZSETKM-MRVPVSSYSA-N	-1	0	306.230	0.530	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)OC	ZINC001602698703	1169164639	/nfs/dbraw/zinc/16/46/39/1169164639.db2.gz	RWJNQLRQDZLZJX-QMMMGPOBSA-N	-1	0	315.303	0.129	20	30		DCEDRM
C#CCCN(CC(F)(F)F)C(=O)Cn1cc(C(=O)[O-])cn1	ZINC001602710137	1169166132	/nfs/dbraw/zinc/16/61/32/1169166132.db2.gz	BFUJLGZERXMUAT-UHFFFAOYSA-N	-1	0	303.240	0.996	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)C(=O)Nc1scc(C)c1C(=O)[O-]	ZINC001602701596	1169166462	/nfs/dbraw/zinc/16/64/62/1169166462.db2.gz	PFVIGLNVFNQCSQ-VIFPVBQESA-N	-1	0	324.358	0.584	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001602715434	1169168636	/nfs/dbraw/zinc/16/86/36/1169168636.db2.gz	HJZMDYWGVWQWAE-UHFFFAOYSA-N	-1	0	323.286	0.440	20	30		DCEDRM
C#CCNC(=O)CN[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1	ZINC001602724973	1169173696	/nfs/dbraw/zinc/17/36/96/1169173696.db2.gz	MHFMONSZHKLOPJ-ZDUSSCGKSA-N	-1	0	310.737	0.813	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N(C)CCN(C)c1ccnc(C(=O)[O-])n1	ZINC001602726260	1169174903	/nfs/dbraw/zinc/17/49/03/1169174903.db2.gz	OAKMFZGUDYCRDD-LLVKDONJSA-N	-1	0	320.349	0.108	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)CC1	ZINC001602738326	1169176083	/nfs/dbraw/zinc/17/60/83/1169176083.db2.gz	UWKZJPLEBCWGDS-CYDGBPFRSA-N	-1	0	322.361	0.694	20	30		DCEDRM
C#CCSCCNS(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001602738085	1169176595	/nfs/dbraw/zinc/17/65/95/1169176595.db2.gz	IQZGAUUYNKSMKF-UHFFFAOYSA-N	-1	0	302.377	0.368	20	30		DCEDRM
C#Cc1cncc(C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)c1	ZINC001602744498	1169177390	/nfs/dbraw/zinc/17/73/90/1169177390.db2.gz	BAUMEDPPSPTDOG-VIFPVBQESA-N	-1	0	300.274	0.657	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CN(C)Cc1nnc(C)n1C)C(=O)[O-]	ZINC001602748676	1169178398	/nfs/dbraw/zinc/17/83/98/1169178398.db2.gz	GNTXSYXUPZYQJX-NSHDSACASA-N	-1	0	309.370	0.091	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)nnn2C)C(=O)[O-]	ZINC001602757955	1169179686	/nfs/dbraw/zinc/17/96/86/1169179686.db2.gz	XZJQLTQRNRUNMY-LLVKDONJSA-N	-1	0	324.362	0.666	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-]	ZINC001602757766	1169179933	/nfs/dbraw/zinc/17/99/33/1169179933.db2.gz	VQZRLNRVTWDPFH-NSHDSACASA-N	-1	0	312.347	0.483	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001602762503	1169181009	/nfs/dbraw/zinc/18/10/09/1169181009.db2.gz	TZEQMEOBKNNQQE-NHYWBVRUSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C=C(Cl)C[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)C(=O)OCC	ZINC001602767401	1169181991	/nfs/dbraw/zinc/18/19/91/1169181991.db2.gz	FJOPVZDXRCTPCR-MRVPVSSYSA-N	-1	0	323.744	0.565	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N	ZINC001602785671	1169183035	/nfs/dbraw/zinc/18/30/35/1169183035.db2.gz	FAGFCWYDWNHJDW-UHFFFAOYSA-N	-1	0	319.321	0.477	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CCSC)C(=O)N(C)C	ZINC001602785659	1169183364	/nfs/dbraw/zinc/18/33/64/1169183364.db2.gz	DHYYWCGAZQDWHU-JTQLQIEISA-N	-1	0	302.396	0.734	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001602817435	1169187553	/nfs/dbraw/zinc/18/75/53/1169187553.db2.gz	WUTKACCRHCJXEZ-VHSXEESVSA-N	-1	0	308.338	0.916	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1CC(C)C	ZINC001602820243	1169188361	/nfs/dbraw/zinc/18/83/61/1169188361.db2.gz	FPZNZRQCIYLGPC-QWRGUYRKSA-N	-1	0	310.354	0.443	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1CCOC	ZINC001602820175	1169188628	/nfs/dbraw/zinc/18/86/28/1169188628.db2.gz	DNYBBAMBTHJKCI-GMTAPVOTSA-N	-1	0	310.354	0.301	20	30		DCEDRM
C=CCC[C@@H]1CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC001602832889	1169190123	/nfs/dbraw/zinc/19/01/23/1169190123.db2.gz	AIATVJGRXZYBNI-SNVBAGLBSA-N	-1	0	302.342	0.415	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC001602842717	1169192198	/nfs/dbraw/zinc/19/21/98/1169192198.db2.gz	MWNBQCXOFMECFO-SNVBAGLBSA-N	-1	0	322.317	0.385	20	30		DCEDRM
C=CCCC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCOCC1	ZINC001602855879	1169195023	/nfs/dbraw/zinc/19/50/23/1169195023.db2.gz	HAEXKYLKVYQLHB-NEPJUHHUSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCN(C(=O)C(=O)Nc1cccc(C(=O)[O-])n1)[C@@H](C)COC	ZINC001602887173	1169198009	/nfs/dbraw/zinc/19/80/09/1169198009.db2.gz	KIUDYDIVXDIQIB-JTQLQIEISA-N	-1	0	321.333	0.768	20	30		DCEDRM
C=CCCn1cc(C(=O)Nc2nc3n(c2C(=O)[O-])CCC3)nn1	ZINC001602884699	1169198460	/nfs/dbraw/zinc/19/84/60/1169198460.db2.gz	OJVOADQRNZIIJJ-UHFFFAOYSA-N	-1	0	316.321	0.947	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001602888461	1169199185	/nfs/dbraw/zinc/19/91/85/1169199185.db2.gz	SRYLBYDCHBRTNT-SFYZADRCSA-N	-1	0	311.323	0.082	20	30		DCEDRM
C=CCOCC(=O)NCC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001602906704	1169202136	/nfs/dbraw/zinc/20/21/36/1169202136.db2.gz	KVHPRVZMGLSJCR-MNOVXSKESA-N	-1	0	310.350	0.065	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(C)c(C(=O)OC)o1)C(=O)[O-]	ZINC001602909116	1169202799	/nfs/dbraw/zinc/20/27/99/1169202799.db2.gz	OCFQEEHNLQSDKY-VIFPVBQESA-N	-1	0	311.290	0.760	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(F)cc(F)c1N)C(=O)[O-]	ZINC001602909135	1169203202	/nfs/dbraw/zinc/20/32/02/1169203202.db2.gz	OPXUUPLLXVCPPG-JTQLQIEISA-N	-1	0	300.261	0.933	20	30		DCEDRM
C=CCn1c(-c2ccnn2C)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001602929738	1169210366	/nfs/dbraw/zinc/21/03/66/1169210366.db2.gz	ALRWNLYCVOTFPR-AWEZNQCLSA-N	-1	0	320.328	0.868	20	30		DCEDRM
C=CCn1c([C@H](O)/C=C/CC)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602931731	1169211396	/nfs/dbraw/zinc/21/13/96/1169211396.db2.gz	AGXAWLITZQABMP-IEVRTODYSA-N	-1	0	322.365	0.754	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC001602945943	1169218386	/nfs/dbraw/zinc/21/83/86/1169218386.db2.gz	OFBWPOHWUOHZSO-NSHDSACASA-N	-1	0	311.359	0.746	20	30		DCEDRM
C[C@H](C#N)C(=O)N(C)CCNc1ccc(-c2nn[nH]n2)cn1	ZINC001602981507	1169223521	/nfs/dbraw/zinc/22/35/21/1169223521.db2.gz	GPYJMJMENWLAIN-SECBINFHSA-N	-1	0	300.326	0.292	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H](C)CNc1ccc(-c2nn[nH]n2)cn1	ZINC001602983717	1169223688	/nfs/dbraw/zinc/22/36/88/1169223688.db2.gz	MRVMIOXZBKYYDX-IUCAKERBSA-N	-1	0	300.326	0.338	20	30		DCEDRM
C[C@H](C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001603156162	1169258984	/nfs/dbraw/zinc/25/89/84/1169258984.db2.gz	OCVHLBMMULXOIV-GPCCPHFNSA-N	-1	0	305.338	0.860	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC001603230494	1169276573	/nfs/dbraw/zinc/27/65/73/1169276573.db2.gz	NDVXCRBWNNEMDH-GFCCVEGCSA-N	-1	0	314.367	0.196	20	30		DCEDRM
CC(C)(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001603302864	1169290439	/nfs/dbraw/zinc/29/04/39/1169290439.db2.gz	NLGURGPUXWJDEN-BONVTDFDSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CC(C)(CNC(=O)C(=O)N1CCC[C@](C)(C#N)C1)CC(=O)[O-]	ZINC001603619018	1169334601	/nfs/dbraw/zinc/33/46/01/1169334601.db2.gz	UFRSOPXVHHZACW-OAHLLOKOSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CC1(C)CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC(C)(C)O1	ZINC001603786793	1169391186	/nfs/dbraw/zinc/39/11/86/1169391186.db2.gz	HDAQUOWNPVZUIZ-UHFFFAOYSA-N	-1	0	314.353	0.922	20	30		DCEDRM
C[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H](C2CC2)O1	ZINC001603939880	1169446383	/nfs/dbraw/zinc/44/63/83/1169446383.db2.gz	BWBMNXJTUKVIES-GZMMTYOYSA-N	-1	0	312.337	0.532	20	30		DCEDRM
CC[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H](C)O1	ZINC001604112705	1169496116	/nfs/dbraw/zinc/49/61/16/1169496116.db2.gz	YWLWVMIVYVZJJP-IUCAKERBSA-N	-1	0	300.326	0.532	20	30		DCEDRM
C[C@@H](CN(C)CCS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001604158906	1169509685	/nfs/dbraw/zinc/50/96/85/1169509685.db2.gz	YLCLYJACXSDMPD-JTQLQIEISA-N	-1	0	311.363	0.379	20	30		DCEDRM
CCOC1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCCC1	ZINC001604406236	1169585087	/nfs/dbraw/zinc/58/50/87/1169585087.db2.gz	WEXDAVYCZIEGLL-UHFFFAOYSA-N	-1	0	316.325	0.749	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cnn(CCC#N)c2C)C1	ZINC001604536228	1169611037	/nfs/dbraw/zinc/61/10/37/1169611037.db2.gz	ZVNSKTFFLSMRKO-OAHLLOKOSA-N	-1	0	320.349	0.669	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1CCS(=O)(=O)c1ccc(C#N)cn1	ZINC001604635790	1169638647	/nfs/dbraw/zinc/63/86/47/1169638647.db2.gz	IJOREDQMNXFSCX-JQWIXIFHSA-N	-1	0	323.374	0.522	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)CNc1ccc(-c2nn[nH]n2)cn1	ZINC001604712594	1169661742	/nfs/dbraw/zinc/66/17/42/1169661742.db2.gz	GBTJCHYNOIRCFT-UHFFFAOYSA-N	-1	0	314.353	0.682	20	30		DCEDRM
CN(CCCn1ccnc1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001604759047	1169671091	/nfs/dbraw/zinc/67/10/91/1169671091.db2.gz	MFGHBKUTCXGYIF-UHFFFAOYSA-N	-1	0	310.325	0.251	20	30		DCEDRM
CCC(C#N)(CC)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001604864391	1169719063	/nfs/dbraw/zinc/71/90/63/1169719063.db2.gz	DKNDICVXJIJOGA-MRXNPFEDSA-N	-1	0	323.393	0.704	20	30		DCEDRM
CCOC(=O)[C@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CCO1	ZINC001605530648	1169948911	/nfs/dbraw/zinc/94/89/11/1169948911.db2.gz	CYEJNECUAQZTIB-GFCCVEGCSA-N	-1	0	305.290	0.420	20	30		DCEDRM
Cc1n[nH]c(C)c1C=Nn1c(C)cc(C)c(-c2nnn[n-]2)c1=O	ZINC001605650082	1169981726	/nfs/dbraw/zinc/98/17/26/1169981726.db2.gz	SVMLOGWETLXZRV-UHFFFAOYSA-N	-1	0	312.337	0.867	20	30		DCEDRM
Cc1nc(C#N)c(-c2nn[nH]n2)n1Cc1nc(C2CC2)nn1C	ZINC001606023707	1170053887	/nfs/dbraw/zinc/05/38/87/1170053887.db2.gz	DEGRFKRQOOJMGG-UHFFFAOYSA-N	-1	0	310.325	0.298	20	30		DCEDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)c2c(F)cc(C#N)cc2F)CC1=O	ZINC001606200415	1170109746	/nfs/dbraw/zinc/10/97/46/1170109746.db2.gz	SQVTWLTWLSAPPV-JTQLQIEISA-N	-1	0	323.255	0.204	20	30		DCEDRM
Cn1nc(C2CC2)cc1CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001606268366	1170142228	/nfs/dbraw/zinc/14/22/28/1170142228.db2.gz	PRKDJAWGNQSTBY-UHFFFAOYSA-N	-1	0	322.336	0.751	20	30		DCEDRM
N#Cc1ncc(N2CC[C@H]2[C@H]2CCCOC2)nc1-c1nnn[n-]1	ZINC001606396924	1170184365	/nfs/dbraw/zinc/18/43/65/1170184365.db2.gz	BRZWDNMQANWQFL-ONGXEEELSA-N	-1	0	312.337	0.534	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)C(=O)/C=C\c1ccc(F)cc1	ZINC001606464270	1170214349	/nfs/dbraw/zinc/21/43/49/1170214349.db2.gz	USVXCUIXRRKODT-DAXSKMNVSA-N	-1	0	323.276	0.494	20	30		DCEDRM
COC(=O)c1cccc(CN2CC[C@@](O)(C(=O)[O-])C2)c1C#N	ZINC001606616448	1170243854	/nfs/dbraw/zinc/24/38/54/1170243854.db2.gz	KLTGXWBCIYYBIM-HNNXBMFYSA-N	-1	0	304.302	0.366	20	30		DCEDRM
COC[C@H](C#N)OC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001606776956	1170285604	/nfs/dbraw/zinc/28/56/04/1170285604.db2.gz	GHJYDYWHDILUJD-VIFPVBQESA-N	-1	0	308.290	0.848	20	30		DCEDRM
COc1cc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])ccc1C#N	ZINC001607076416	1170382181	/nfs/dbraw/zinc/38/21/81/1170382181.db2.gz	WSHIJSLHJOWMAT-GFCCVEGCSA-N	-1	0	314.301	0.647	20	30		DCEDRM
COc1cc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])ccc1C#N	ZINC001607076417	1170382798	/nfs/dbraw/zinc/38/27/98/1170382798.db2.gz	WSHIJSLHJOWMAT-LBPRGKRZSA-N	-1	0	314.301	0.647	20	30		DCEDRM
COc1ccc(C(=O)C(=O)N(CC#N)CC(=O)[O-])cc1Cl	ZINC001607201642	1170413955	/nfs/dbraw/zinc/41/39/55/1170413955.db2.gz	LXTRSNGPMAMTQE-UHFFFAOYSA-N	-1	0	310.693	0.968	20	30		DCEDRM
COc1ccccc1N1CC[C@H](N(CC#N)CC(=O)[O-])C1=O	ZINC001607345982	1170430780	/nfs/dbraw/zinc/43/07/80/1170430780.db2.gz	DXCIGDSXMRBQCD-LBPRGKRZSA-N	-1	0	303.318	0.711	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)[C@H](C)C1	ZINC001607427275	1170449964	/nfs/dbraw/zinc/44/99/64/1170449964.db2.gz	FLRQIYKQCRBXBR-VXGBXAGGSA-N	-1	0	321.377	0.850	20	30		DCEDRM
C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C(=O)[O-]	ZINC001607423953	1170450018	/nfs/dbraw/zinc/45/00/18/1170450018.db2.gz	JROBXECCSXNNOH-HONMWMINSA-N	-1	0	317.345	0.477	20	30		DCEDRM
Cc1c(C(=O)[O-])cc(CNC(=O)Nc2nn(C)cc2C#N)n1C	ZINC001607516351	1170471719	/nfs/dbraw/zinc/47/17/19/1170471719.db2.gz	LFCKKHNIPDUTBQ-UHFFFAOYSA-N	-1	0	316.321	0.959	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC001607724509	1170499961	/nfs/dbraw/zinc/49/99/61/1170499961.db2.gz	PUHRBLNXGGKBJM-AWEZNQCLSA-N	-1	0	324.358	0.779	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)c1C#N	ZINC001607856102	1170512978	/nfs/dbraw/zinc/51/29/78/1170512978.db2.gz	CGHXQUVFNXSQKO-UHFFFAOYSA-N	-1	0	313.313	0.881	20	30		DCEDRM
Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1c[nH]c(C#N)c1	ZINC001608004032	1170545239	/nfs/dbraw/zinc/54/52/39/1170545239.db2.gz	FGZJMMDGBXYHEL-UHFFFAOYSA-N	-1	0	301.306	0.714	20	30		DCEDRM
Cc1sc(C(=O)[O-])cc1Cn1c(=O)c(C#N)c(C)n(C)c1=O	ZINC001608060707	1170563114	/nfs/dbraw/zinc/56/31/14/1170563114.db2.gz	FONUSIWXERIOKN-UHFFFAOYSA-N	-1	0	319.342	0.844	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@@H](O)C(Cl)(Cl)Cl	ZINC001608184321	1170601852	/nfs/dbraw/zinc/60/18/52/1170601852.db2.gz	UQMGACOTDGCCKJ-RXMQYKEDSA-N	-1	0	303.529	0.544	20	30		DCEDRM
N#CC1(CC(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])CCOCC1	ZINC001608176089	1170609299	/nfs/dbraw/zinc/60/92/99/1170609299.db2.gz	OLWQQCNAKAOFCJ-NSHDSACASA-N	-1	0	306.322	0.163	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)CCC1	ZINC001608176010	1170609301	/nfs/dbraw/zinc/60/93/01/1170609301.db2.gz	RUTNJVWMGDIQOW-LLVKDONJSA-N	-1	0	304.393	0.560	20	30		DCEDRM
N#C[C@@]1(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])CCCOC1	ZINC001608172662	1170609437	/nfs/dbraw/zinc/60/94/37/1170609437.db2.gz	ZVLMYQIIIAZAST-GWCFXTLKSA-N	-1	0	309.347	0.575	20	30		DCEDRM
N#C[C@@H]1CSCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001608178748	1170610149	/nfs/dbraw/zinc/61/01/49/1170610149.db2.gz	BEOHWPOGZNBJPO-MRVPVSSYSA-N	-1	0	313.360	0.409	20	30		DCEDRM
N#CCC1CCN(C(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])CC1	ZINC001608180997	1170610176	/nfs/dbraw/zinc/61/01/76/1170610176.db2.gz	CKHNMZGBCLAMRG-LBPRGKRZSA-N	-1	0	307.350	0.604	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C1	ZINC001608181572	1170610297	/nfs/dbraw/zinc/61/02/97/1170610297.db2.gz	LSPQSALMYRSWJW-UHFFFAOYSA-N	-1	0	314.294	0.173	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1occc1Br	ZINC001608184440	1170611376	/nfs/dbraw/zinc/61/13/76/1170611376.db2.gz	XDPDRYRTDKSGQI-UHFFFAOYSA-N	-1	0	323.124	0.641	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccc2c1OCCC2	ZINC001608184121	1170611506	/nfs/dbraw/zinc/61/15/06/1170611506.db2.gz	PSXYJOVQGHYNEB-UHFFFAOYSA-N	-1	0	310.331	0.610	20	30		DCEDRM
N#Cc1c(COC(=O)C2(C(N)=O)CCC2)cccc1C(=O)[O-]	ZINC001608190869	1170612369	/nfs/dbraw/zinc/61/23/69/1170612369.db2.gz	KQIBHKFCBKDVGM-UHFFFAOYSA-N	-1	0	302.286	0.955	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1	ZINC001608189526	1170612420	/nfs/dbraw/zinc/61/24/20/1170612420.db2.gz	XLZIGCJCNGTTDB-CQSZACIVSA-N	-1	0	324.358	0.665	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CC(=O)NC2CCCCC2)c1=O	ZINC001608196528	1170613950	/nfs/dbraw/zinc/61/39/50/1170613950.db2.gz	YQQTVLFIXFWRDE-UHFFFAOYSA-N	-1	0	303.318	0.867	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])cc1	ZINC001608200446	1170614848	/nfs/dbraw/zinc/61/48/48/1170614848.db2.gz	JRYUOQRIRQKIAY-QWHCGFSZSA-N	-1	0	315.329	0.658	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)nc1	ZINC001608206532	1170614976	/nfs/dbraw/zinc/61/49/76/1170614976.db2.gz	VPOKIUPHDBTLIG-BETUJISGSA-N	-1	0	314.345	0.713	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC001608200618	1170615319	/nfs/dbraw/zinc/61/53/19/1170615319.db2.gz	LWHNHZYTOPGYKX-VXGBXAGGSA-N	-1	0	301.302	0.125	20	30		DCEDRM
N#Cc1nc(N2CC(n3cc(C(=O)[O-])nn3)C2)ccc1Cl	ZINC001608225706	1170619260	/nfs/dbraw/zinc/61/92/60/1170619260.db2.gz	ZDZYVCGOIBVSPF-UHFFFAOYSA-N	-1	0	304.697	0.958	20	30		DCEDRM
N#Cc1ncccc1OS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001608225578	1170619273	/nfs/dbraw/zinc/61/92/73/1170619273.db2.gz	SNJDKUMQLJSLPH-UHFFFAOYSA-N	-1	0	305.271	0.814	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCC([C@@H]2COC(=O)N2)CC1	ZINC001608223830	1170619832	/nfs/dbraw/zinc/61/98/32/1170619832.db2.gz	KUAWVTJLHGDKGH-LBPRGKRZSA-N	-1	0	316.317	0.976	20	30		DCEDRM
N#Cc1ncc(C(F)(F)F)cc1N1CC[C@@](O)(C(=O)[O-])C1	ZINC001608225188	1170619864	/nfs/dbraw/zinc/61/98/64/1170619864.db2.gz	IXXPSBPJLACBQO-NSHDSACASA-N	-1	0	301.224	0.998	20	30		DCEDRM
O=C([O-])c1cn([C@H]2CCN(C(=O)C#Cc3cccs3)C2)nn1	ZINC001608959048	1170775046	/nfs/dbraw/zinc/77/50/46/1170775046.db2.gz	JCMSGIGPZSRXSF-JTQLQIEISA-N	-1	0	316.342	0.863	20	30		DCEDRM
C=CCCCN(C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001609054846	1170794531	/nfs/dbraw/zinc/79/45/31/1170794531.db2.gz	IOAGSGDUHXNIAL-UHFFFAOYSA-N	-1	0	305.346	0.066	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cccc(-c2nn[nH]n2)c1	ZINC001609056182	1170794776	/nfs/dbraw/zinc/79/47/76/1170794776.db2.gz	UICSMLLNZBAYHT-UHFFFAOYSA-N	-1	0	302.294	0.971	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CSCN1C(=O)[C@H](C)CC)C(=O)[O-]	ZINC001609075974	1170800862	/nfs/dbraw/zinc/80/08/62/1170800862.db2.gz	AAYURHKXMPPVEU-VWYCJHECSA-N	-1	0	312.391	0.527	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)N1CCN(c2ccc(C(=O)[O-])s2)CC1	ZINC001609159050	1170835883	/nfs/dbraw/zinc/83/58/83/1170835883.db2.gz	UKHBYWKTNLGWCS-LLVKDONJSA-N	-1	0	321.402	0.706	20	30		DCEDRM
C#Cc1ccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cn1	ZINC001609183571	1170851092	/nfs/dbraw/zinc/85/10/92/1170851092.db2.gz	IDVJJNULBQDTKF-ZDUSSCGKSA-N	-1	0	317.345	0.408	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC001609257444	1170900971	/nfs/dbraw/zinc/90/09/71/1170900971.db2.gz	DZVWGUWLGYIAFB-UWVGGRQHSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=C[C@H](N[C@H]1CCN(c2sccc2C(=O)OC)C1=O)C(=O)[O-]	ZINC001609272053	1170905882	/nfs/dbraw/zinc/90/58/82/1170905882.db2.gz	HJEVPQVVMFYOTO-UWVGGRQHSA-N	-1	0	324.358	0.869	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1scnc1C(=O)[O-]	ZINC001609290360	1170914519	/nfs/dbraw/zinc/91/45/19/1170914519.db2.gz	DFUZWJXJTYIASB-ZETCQYMHSA-N	-1	0	306.365	0.304	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)nn1	ZINC001609346047	1170946857	/nfs/dbraw/zinc/94/68/57/1170946857.db2.gz	ZDJYNEVMFVFSMH-UHFFFAOYSA-N	-1	0	303.322	0.685	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])C1	ZINC001609407234	1170970061	/nfs/dbraw/zinc/97/00/61/1170970061.db2.gz	UOTDWDKLKDKLSX-NEPJUHHUSA-N	-1	0	310.350	0.256	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c([N+](=O)[O-])c(C)nn1C)C(=O)[O-]	ZINC001609442863	1170979777	/nfs/dbraw/zinc/97/97/77/1170979777.db2.gz	IPJPRCVKOGVWKL-MRVPVSSYSA-N	-1	0	312.282	0.022	20	30		DCEDRM
C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001609470296	1170989171	/nfs/dbraw/zinc/98/91/71/1170989171.db2.gz	NFUXJBGWRYXYKO-QJPTWQEYSA-N	-1	0	322.365	0.646	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)nn1	ZINC001609485132	1170996383	/nfs/dbraw/zinc/99/63/83/1170996383.db2.gz	DZKBZPCLVXMLIY-OAHLLOKOSA-N	-1	0	315.333	0.979	20	30		DCEDRM
N#Cc1cccc(NC(=O)Cn2cccc(-c3nnn[n-]3)c2=O)c1	ZINC001609500285	1171000205	/nfs/dbraw/zinc/00/02/05/1171000205.db2.gz	OFQKOIZVZPTSDL-UHFFFAOYSA-N	-1	0	321.300	0.539	20	30		DCEDRM
C[C@H](OC(=O)/C=C/c1ccccc1C#N)C(=O)NCC(=O)[O-]	ZINC001609793865	1171087328	/nfs/dbraw/zinc/08/73/28/1171087328.db2.gz	SYSZKESUHLTDEP-FGEFZZPRSA-N	-1	0	302.286	0.704	20	30		DCEDRM
C[C@@H](OC(=O)COc1ccccc1C#N)C(=O)NCC(=O)[O-]	ZINC001609798917	1171088634	/nfs/dbraw/zinc/08/86/34/1171088634.db2.gz	LJEBWKNBNSLBOS-SECBINFHSA-N	-1	0	306.274	0.070	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001609831408	1171099875	/nfs/dbraw/zinc/09/98/75/1171099875.db2.gz	BPGOWGMVFUSMKD-ZSNFEOKMSA-N	-1	0	321.333	0.225	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(C(=O)[O-])nc1	ZINC001609994331	1171133960	/nfs/dbraw/zinc/13/39/60/1171133960.db2.gz	YYVXQWSIJSKIPH-JTQLQIEISA-N	-1	0	319.317	0.945	20	30		DCEDRM
CCN1CCO[C@@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC001610007689	1171136841	/nfs/dbraw/zinc/13/68/41/1171136841.db2.gz	DXVYAFIDPUOHSL-KGLIPLIRSA-N	-1	0	318.329	0.948	20	30		DCEDRM
CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@H]1C#N	ZINC001610078474	1171150878	/nfs/dbraw/zinc/15/08/78/1171150878.db2.gz	MYMLBXYDRNYCRA-MRVPVSSYSA-N	-1	0	314.319	0.453	20	30		DCEDRM
COc1ccc2c(c1)[n-]cc(C(=O)n1ncc(C#N)c1N)c2=O	ZINC001610100413	1171156057	/nfs/dbraw/zinc/15/60/57/1171156057.db2.gz	AAJSXJQVEDOPJN-UHFFFAOYSA-N	-1	0	309.285	0.876	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)C#Cc1ccccc1	ZINC001610177224	1171186805	/nfs/dbraw/zinc/18/68/05/1171186805.db2.gz	UYAYJZJHOGDKJL-ZIAGYGMSSA-N	-1	0	315.325	0.903	20	30		DCEDRM
COCc1cc(NC(=O)C(=O)N[C@@H](C)CC#N)cc(C(=O)[O-])c1	ZINC001610268496	1171213587	/nfs/dbraw/zinc/21/35/87/1171213587.db2.gz	XVRYDGBFRHWVCE-VIFPVBQESA-N	-1	0	319.317	0.888	20	30		DCEDRM
C[C@@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)C[C@H]1C(=O)[O-]	ZINC001610393137	1171229201	/nfs/dbraw/zinc/22/92/01/1171229201.db2.gz	YHZQZRBJEWSDCB-WIHULJDFSA-N	-1	0	321.333	0.082	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1	ZINC001610619776	1171270596	/nfs/dbraw/zinc/27/05/96/1171270596.db2.gz	RFUMCGNFBUSBQP-AWEZNQCLSA-N	-1	0	323.255	0.927	20	30		DCEDRM
N#Cc1cc(C(=O)OCC(=O)Nc2cccc(C(=O)[O-])n2)c[nH]1	ZINC001610624979	1171271139	/nfs/dbraw/zinc/27/11/39/1171271139.db2.gz	FWZBAMCZROQPHG-UHFFFAOYSA-N	-1	0	314.257	0.775	20	30		DCEDRM
N#CC1CCC(CNC(=O)C(=O)NCCCCC(=O)[O-])CC1	ZINC001610620950	1171271696	/nfs/dbraw/zinc/27/16/96/1171271696.db2.gz	XUVRZUAGKOHULG-UHFFFAOYSA-N	-1	0	309.366	0.804	20	30		DCEDRM
N#Cc1cc(F)ccc1CN1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001610626266	1171271646	/nfs/dbraw/zinc/27/16/46/1171271646.db2.gz	PQGCPEKKALWFQJ-CYBMUJFWSA-N	-1	0	305.309	0.863	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)n1	ZINC001610629766	1171272495	/nfs/dbraw/zinc/27/24/95/1171272495.db2.gz	BSDXOJAMXIQMLN-SNVBAGLBSA-N	-1	0	312.289	0.330	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)CC2(C(=O)[O-])CCC2)nc1	ZINC001610628190	1171272586	/nfs/dbraw/zinc/27/25/86/1171272586.db2.gz	QYHYDRHQOAMUIK-UHFFFAOYSA-N	-1	0	309.347	0.628	20	30		DCEDRM
N#Cc1ccc2ncc(CN3CCC([C@H](O)C(=O)[O-])CC3)n2c1	ZINC001610631753	1171272915	/nfs/dbraw/zinc/27/29/15/1171272915.db2.gz	WJHBVKUJBICJGJ-HNNXBMFYSA-N	-1	0	314.345	0.863	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NC[C@@H]1COC2(CCOCC2)O1	ZINC001610634372	1171273504	/nfs/dbraw/zinc/27/35/04/1171273504.db2.gz	ZGFNZHBGNYLPLM-SNVBAGLBSA-N	-1	0	319.317	0.985	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2cccc([N+](=O)[O-])c2)c1=O	ZINC001613878899	1171370273	/nfs/dbraw/zinc/37/02/73/1171370273.db2.gz	VGQXDAZFELHNON-UHFFFAOYSA-N	-1	0	300.230	0.199	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)CSc1nc(C)c(C)c(C)c1C#N	ZINC001616310707	1171378238	/nfs/dbraw/zinc/37/82/38/1171378238.db2.gz	COOGCTUYXQDRLM-UHFFFAOYSA-N	-1	0	322.390	0.764	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2[n-]c(=O)c(C#N)cc2C)C1=O	ZINC001618021925	1171393414	/nfs/dbraw/zinc/39/34/14/1171393414.db2.gz	ODWZKGSRJBPRJW-GFCCVEGCSA-N	-1	0	314.345	0.826	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN1C(=O)CSC1=O	ZINC001626256883	1171479539	/nfs/dbraw/zinc/47/95/39/1171479539.db2.gz	GDDMCIHFTZYEKT-UHFFFAOYSA-N	-1	0	320.330	0.393	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2c(O)cccc2F)c(=O)[n-]c1=O	ZINC001628828550	1171537738	/nfs/dbraw/zinc/53/77/38/1171537738.db2.gz	FADFPPMMUREICU-UHFFFAOYSA-N	-1	0	304.237	0.304	20	30		DCEDRM
C=CC[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C(=O)OCC	ZINC001633797763	1171653302	/nfs/dbraw/zinc/65/33/02/1171653302.db2.gz	SCTWBJQBAWOQKB-SSDOTTSWSA-N	-1	0	300.340	0.226	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC001639298169	1171832181	/nfs/dbraw/zinc/83/21/81/1171832181.db2.gz	JGIDFBNWEIDTGD-SNVBAGLBSA-N	-1	0	309.322	0.991	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)CNS(=O)(=O)c1ccc(F)cc1	ZINC001640635457	1171886265	/nfs/dbraw/zinc/88/62/65/1171886265.db2.gz	RMBFEHGBLVPGGI-VIFPVBQESA-N	-1	0	302.327	0.726	20	30		DCEDRM
CC(=CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccco1	ZINC001641034299	1171904620	/nfs/dbraw/zinc/90/46/20/1171904620.db2.gz	YRACIWNFZPYUBB-YFHOEESVSA-N	-1	0	314.301	0.633	20	30		DCEDRM
C[C@@H]1C(=O)N([N-]C(=O)c2c(F)cc(C#N)cc2F)C(=O)N1C	ZINC001645981421	1172204222	/nfs/dbraw/zinc/20/42/22/1172204222.db2.gz	AFLIZVLMAVRPOY-ZCFIWIBFSA-N	-1	0	308.244	0.764	20	30		DCEDRM
CCn1[n-]cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C)c1=O	ZINC001647688609	1173035438	/nfs/dbraw/zinc/03/54/38/1173035438.db2.gz	HFJIGASRQFDIMF-CYBMUJFWSA-N	-1	0	305.317	0.846	20	30		DCEDRM
CS[C@H]1CC[C@@H](N(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001649949195	1173330182	/nfs/dbraw/zinc/33/01/82/1173330182.db2.gz	MHSHRNCYYCUEFC-MNOVXSKESA-N	-1	0	322.390	0.563	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)N=c1nn[n-]n1CC	ZINC001677561668	1175581290	/nfs/dbraw/zinc/58/12/90/1175581290.db2.gz	KQWWXNRPHYPCBJ-UHFFFAOYSA-N	-1	0	304.285	0.910	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)NOCC3CCC3)C2)c(=O)[n-]c1=O	ZINC001684179149	1175988922	/nfs/dbraw/zinc/98/89/22/1175988922.db2.gz	MZIZFRKVUJOHRL-UHFFFAOYSA-N	-1	0	319.321	0.119	20	30		DCEDRM
C=CCCC(=O)NC[C@H](CC)NC(=O)c1cnc([O-])n(C)c1=O	ZINC001688726628	1176600579	/nfs/dbraw/zinc/60/05/79/1176600579.db2.gz	AJFGRKAGLPMKBI-JTQLQIEISA-N	-1	0	322.365	0.077	20	30		DCEDRM
C=CCOCC(=O)N[C@@]1(C)CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001689704559	1177010759	/nfs/dbraw/zinc/01/07/59/1177010759.db2.gz	IRAWBUWOSDMDSQ-HNNXBMFYSA-N	-1	0	322.365	0.347	20	30		DCEDRM
C=CCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O	ZINC001701118248	1178930060	/nfs/dbraw/zinc/93/00/60/1178930060.db2.gz	KUJSJSPDCKBEMU-NXEZZACHSA-N	-1	0	322.365	0.075	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC(CNC(=O)C#CC(C)C)C2)c1[O-]	ZINC001704566626	1180067554	/nfs/dbraw/zinc/06/75/54/1180067554.db2.gz	BWEMQSUSUBCGRO-UHFFFAOYSA-N	-1	0	304.350	0.271	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1CC	ZINC001707193081	1180432267	/nfs/dbraw/zinc/43/22/67/1180432267.db2.gz	XTLUHCXQWYKIFO-RWSFTLGLSA-N	-1	0	323.397	0.307	20	30		DCEDRM
C=C(C)CCC(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1	ZINC001713455054	1180833538	/nfs/dbraw/zinc/83/35/38/1180833538.db2.gz	KJVBVSWLNOAKIR-UHFFFAOYSA-N	-1	0	317.393	0.927	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC/C=C\CNCC#N)cc1=O	ZINC001715843459	1182044317	/nfs/dbraw/zinc/04/43/17/1182044317.db2.gz	QHBVAGGTOWRJLD-ARJAWSKDSA-N	-1	0	305.382	0.160	20	30		DCEDRM
CCOC(=O)c1n[nH]cc1C=CC([O-])=C1C(=O)C=C(C)OC1=O	ZINC000269113301	1185703470	/nfs/dbraw/zinc/70/34/70/1185703470.db2.gz	XYLXRNRMONFMFS-ITKZLYELSA-N	-1	0	318.285	0.815	20	30		DCEDRM
O=C(C#CC1CC1)NCCNC(=O)c1n[n-]c2ccccc2c1=O	ZINC001742402012	1187975891	/nfs/dbraw/zinc/97/58/91/1187975891.db2.gz	NPRUXGRIWSEWRO-UHFFFAOYSA-N	-1	0	324.340	0.595	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)CO[C@H]2CCOC2)c1	ZINC001771619154	1188358009	/nfs/dbraw/zinc/35/80/09/1188358009.db2.gz	ZYEKYLGRNVDAOF-NSHDSACASA-N	-1	0	310.331	0.169	20	30		DCEDRM
C#Cc1cncc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)c1	ZINC001754325526	1188822867	/nfs/dbraw/zinc/82/28/67/1188822867.db2.gz	QMIPNMUCPHDDMP-SNVBAGLBSA-N	-1	0	314.349	0.137	20	30		DCEDRM
C#Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cn1	ZINC001755322578	1189080760	/nfs/dbraw/zinc/08/07/60/1189080760.db2.gz	LCIOCCLLBDHMJG-SNVBAGLBSA-N	-1	0	314.349	0.137	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)N1CC(CCO)(NC(=O)c2cn[nH]n2)C1	ZINC001756085098	1189292305	/nfs/dbraw/zinc/29/23/05/1189292305.db2.gz	VARQXTSDHBFQBU-NSHDSACASA-N	-1	0	321.381	0.100	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001756543413	1189389873	/nfs/dbraw/zinc/38/98/73/1189389873.db2.gz	PMHOVNOVGDPSSX-MNOVXSKESA-N	-1	0	324.381	0.233	20	30		DCEDRM
CO[C@@H]1CN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)CCO1	ZINC001771797418	1190503105	/nfs/dbraw/zinc/50/31/05/1190503105.db2.gz	YEBQJAPZDDMWBJ-JTQLQIEISA-N	-1	0	309.347	0.826	20	30		DCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)c1cc(Br)no1	ZINC001588424713	958217704	/nfs/dbraw/zinc/21/77/04/958217704.db2.gz	WMPYICPYRZWMGH-ZETCQYMHSA-N	-1	0	303.112	0.490	20	30		DCEDRM
C=CC(C)(C)CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001167787271	748300818	/nfs/dbraw/zinc/30/08/18/748300818.db2.gz	HEOISKSGOZJGMG-UHFFFAOYSA-N	-1	0	304.350	0.929	20	30		DCEDRM
C[C@H]1[C@H](Nc2ccc(C#N)c3[nH]ccc32)C(=O)N1S(=O)(=O)[O-]	ZINC001167861051	748444659	/nfs/dbraw/zinc/44/46/59/748444659.db2.gz	JFTPIXBZQLNPKZ-CPCISQLKSA-N	-1	0	320.330	0.854	20	30		DCEDRM
O=C(C#CC1CC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1	ZINC001087962039	749153749	/nfs/dbraw/zinc/15/37/49/749153749.db2.gz	VFAUXZQBHBMOLQ-OLZOCXBDSA-N	-1	0	315.377	0.204	20	30		DCEDRM
N#CCOc1ccc(NC(=N)SCCS(=O)(=O)[O-])nc1	ZINC001168090512	749380212	/nfs/dbraw/zinc/38/02/12/749380212.db2.gz	KNVQRPCNJPMQCH-UHFFFAOYSA-N	-1	0	316.364	0.952	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@H]2CCN(CC#N)[C@@H]2C)cc1=O	ZINC001088713189	749947517	/nfs/dbraw/zinc/94/75/17/749947517.db2.gz	AKNUVCNQJUAKPJ-OCCSQVGLSA-N	-1	0	319.409	0.477	20	30		DCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N(CCOC)CCC(=O)[O-]	ZINC000904940738	750430805	/nfs/dbraw/zinc/43/08/05/750430805.db2.gz	MIKUMKFUFRBKTL-GFCCVEGCSA-N	-1	0	312.366	0.503	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)Nc2ccncc2C#N)c1[O-]	ZINC001112990516	762073712	/nfs/dbraw/zinc/07/37/12/762073712.db2.gz	GZPJNITVQWIOBL-BDAKNGLRSA-N	-1	0	314.349	0.731	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCNc2ccnc(C#N)n2)c1[O-]	ZINC001106282656	751084994	/nfs/dbraw/zinc/08/49/94/751084994.db2.gz	DATCHTLTPBAMHP-QMMMGPOBSA-N	-1	0	315.337	0.128	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001113164086	762171721	/nfs/dbraw/zinc/17/17/21/762171721.db2.gz	BWPIQUVMIFFEOJ-OAHLLOKOSA-N	-1	0	323.397	0.383	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001045733805	753308548	/nfs/dbraw/zinc/30/85/48/753308548.db2.gz	QZWXTUIAKVAEIT-MXWKQRLJSA-N	-1	0	304.354	0.235	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001049371114	755239247	/nfs/dbraw/zinc/23/92/47/755239247.db2.gz	DWFFEVPDHILFNB-GMTAPVOTSA-N	-1	0	304.354	0.235	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)Nc2nccnc2C#N)c1[O-]	ZINC001097805867	755750057	/nfs/dbraw/zinc/75/00/57/755750057.db2.gz	WYPJPXJJOPVCIJ-ZETCQYMHSA-N	-1	0	301.310	0.316	20	30		DCEDRM
CCN(C(=O)C#CC(C)C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001079724220	755980378	/nfs/dbraw/zinc/98/03/78/755980378.db2.gz	DWOCYMRACBYVHP-UHFFFAOYSA-N	-1	0	318.377	0.756	20	30		DCEDRM
Cc1ccc(C#N)c(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[nH]n2)C3)n1	ZINC001055252898	756765591	/nfs/dbraw/zinc/76/55/91/756765591.db2.gz	IXRIRRMFDRVIQM-DYEKYZERSA-N	-1	0	323.360	0.920	20	30		DCEDRM
C=CCCOCC(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1	ZINC001119581120	758014699	/nfs/dbraw/zinc/01/46/99/758014699.db2.gz	WVPIXHQQSORUKR-HXUWFJFHSA-N	-1	0	303.380	0.403	20	30		DCEDRM
COC(=O)[C@H](CS)NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147890111	767864228	/nfs/dbraw/zinc/86/42/28/767864228.db2.gz	ZALREAAQRRLVSN-NSHDSACASA-N	-1	0	321.358	0.367	20	30		DCEDRM
C#CCCCCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001137509108	759992368	/nfs/dbraw/zinc/99/23/68/759992368.db2.gz	XZRWNXRMTISPBF-UHFFFAOYSA-N	-1	0	300.318	0.800	20	30		DCEDRM
C#CCCCC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1	ZINC001101217194	764017000	/nfs/dbraw/zinc/01/70/00/764017000.db2.gz	SQZPRTLOGRYJPL-WBMJQRKESA-N	-1	0	317.393	0.594	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001132029736	764210719	/nfs/dbraw/zinc/21/07/19/764210719.db2.gz	PDCNGLFYPGYFGA-VXGBXAGGSA-N	-1	0	321.381	0.019	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001111666713	765349111	/nfs/dbraw/zinc/34/91/11/765349111.db2.gz	KBCXKROODWSKJN-BFVZDQMLSA-N	-1	0	304.354	0.141	20	30		DCEDRM
C=CC[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC001116906592	765925612	/nfs/dbraw/zinc/92/56/12/765925612.db2.gz	NYAMSIDHCDBZNK-LLVKDONJSA-N	-1	0	302.286	0.428	20	30		DCEDRM
N#CCCCCNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001118860951	766450879	/nfs/dbraw/zinc/45/08/79/766450879.db2.gz	UAGPXIWFEUTBJT-UHFFFAOYSA-N	-1	0	316.321	0.081	20	30		DCEDRM
C[C@H](CN(C)C(=O)c1cnc[nH]c1=O)Nc1nccnc1C#N	ZINC001120251306	766948621	/nfs/dbraw/zinc/94/86/21/766948621.db2.gz	IQJJMNQHXBMGDQ-SECBINFHSA-N	-1	0	313.321	0.416	20	30		DCEDRM
C=CCO[C@H]1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC=C)C1	ZINC001121561618	767591911	/nfs/dbraw/zinc/59/19/11/767591911.db2.gz	JZOJRFBQGVTZGT-NSHDSACASA-N	-1	0	316.365	0.469	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@@H](OC)CC2	ZINC001122428069	767800754	/nfs/dbraw/zinc/80/07/54/767800754.db2.gz	SDPDXXNBCNRSRW-WDEREUQCSA-N	-1	0	302.334	0.469	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cc2n(n1)CCCC2=O	ZINC001122533074	767826722	/nfs/dbraw/zinc/82/67/22/767826722.db2.gz	HOERMCGWLWWJLU-JTQLQIEISA-N	-1	0	300.318	0.804	20	30		DCEDRM
C=CC[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)OCC	ZINC001138146992	768399932	/nfs/dbraw/zinc/39/99/32/768399932.db2.gz	DXDXKSCUOZTVJR-VIFPVBQESA-N	-1	0	312.326	0.094	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F	ZINC001149451833	768755380	/nfs/dbraw/zinc/75/53/80/768755380.db2.gz	HAOGASHSMPSVFH-LBPRGKRZSA-N	-1	0	323.324	0.423	20	30		DCEDRM
CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(C#N)ccc1[O-]	ZINC001232676370	769331045	/nfs/dbraw/zinc/33/10/45/769331045.db2.gz	IHHGWNOMYAZFKE-CYBMUJFWSA-N	-1	0	317.345	0.517	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2sc(C(=O)[O-])c3c2OCCO3)CCO1	ZINC001152703883	769625099	/nfs/dbraw/zinc/62/50/99/769625099.db2.gz	CYOLEMYPWBIBKA-ZETCQYMHSA-N	-1	0	324.314	0.582	20	30		DCEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1	ZINC001234375067	769640774	/nfs/dbraw/zinc/64/07/74/769640774.db2.gz	IAYULHKUSHDELZ-UWVGGRQHSA-N	-1	0	304.298	0.388	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001235242915	769786491	/nfs/dbraw/zinc/78/64/91/769786491.db2.gz	BLNGXLOAYODSHB-NSHDSACASA-N	-1	0	311.386	0.430	20	30		DCEDRM
C=CCN1C(=O)CC[C@@]12CCCN(C(=O)Cc1nnn[n-]1)CC2	ZINC001176839984	770186233	/nfs/dbraw/zinc/18/62/33/770186233.db2.gz	FOBVDIMEHACPAZ-OAHLLOKOSA-N	-1	0	318.381	0.302	20	30		DCEDRM
C=CCCC(=O)N1CC[C@H]2OCCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1	ZINC001176955428	770254853	/nfs/dbraw/zinc/25/48/53/770254853.db2.gz	SXGRIJCAOPWUOR-NWDGAFQWSA-N	-1	0	321.381	0.278	20	30		DCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)C(C#N)Cc1cccs1	ZINC001177915681	770575358	/nfs/dbraw/zinc/57/53/58/770575358.db2.gz	PHAUHOMZHSKAPN-ONGXEEELSA-N	-1	0	324.358	0.953	20	30		DCEDRM
C=C(F)C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001180122075	771065222	/nfs/dbraw/zinc/06/52/22/771065222.db2.gz	GNHFGDCEDKEIEB-ZETCQYMHSA-N	-1	0	302.264	0.012	20	30		DCEDRM
N=C(c1nonc1N)N([O-])C(=O)C(=O)CCc1ccccc1	ZINC001180962099	771208660	/nfs/dbraw/zinc/20/86/60/771208660.db2.gz	DFVVVNDCFIHLPQ-UHFFFAOYSA-N	-1	0	303.278	0.397	20	30		DCEDRM
N=C(c1nonc1N)N(O)C(=O)c1nc(Cl)nc2[nH]ccc21	ZINC001157115752	771539641	/nfs/dbraw/zinc/53/96/41/771539641.db2.gz	RUUGGLAFCZPLFY-UHFFFAOYSA-N	-1	0	322.672	0.385	20	30		DCEDRM
COc1ccc(-n2cc([O-])c(C(=O)N[C@H](C#N)CO)n2)cc1	ZINC001157963680	771704091	/nfs/dbraw/zinc/70/40/91/771704091.db2.gz	PJWXAWNPIUEHJE-SECBINFHSA-N	-1	0	302.290	0.201	20	30		DCEDRM
C#C[C@H](C)[N-]S(=O)(=O)c1nc(C)c(C(=O)OCC)s1	ZINC001184975334	771847690	/nfs/dbraw/zinc/84/76/90/771847690.db2.gz	SATSQECQGALDRA-ZETCQYMHSA-N	-1	0	302.377	0.928	20	30		DCEDRM
C#CCC[N-]S(=O)(=O)c1nc(C)c(C(=O)OCC)s1	ZINC001184974669	771847710	/nfs/dbraw/zinc/84/77/10/771847710.db2.gz	GKMOWWAFJPTEOD-UHFFFAOYSA-N	-1	0	302.377	0.930	20	30		DCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001185567283	771929227	/nfs/dbraw/zinc/92/92/27/771929227.db2.gz	YWCDYAXKYMOJQA-UHFFFAOYSA-N	-1	0	317.290	0.527	20	30		DCEDRM
C#C[C@](C)(CC)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001185623538	771942074	/nfs/dbraw/zinc/94/20/74/771942074.db2.gz	JMGIGHBPIHMPKF-CYBMUJFWSA-N	-1	0	305.363	0.947	20	30		DCEDRM
COC(=O)CCS(=O)(=O)[N-]c1c(C#N)cnn1C(C)C	ZINC001188355298	772298439	/nfs/dbraw/zinc/29/84/39/772298439.db2.gz	JURKRNFSMCCHJU-UHFFFAOYSA-N	-1	0	300.340	0.640	20	30		DCEDRM
CON(C)C(=O)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001162197803	772340325	/nfs/dbraw/zinc/34/03/25/772340325.db2.gz	XNJXVTPYJMBZMO-UHFFFAOYSA-N	-1	0	310.335	0.130	20	30		DCEDRM
C#C[C@H](CO)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	ZINC001190716048	772661303	/nfs/dbraw/zinc/66/13/03/772661303.db2.gz	PETIKCGBBUYOHF-SCSAIBSYSA-N	-1	0	315.219	0.655	20	30		DCEDRM
CCOC(=O)c1c([N-]S(=O)(=O)[C@@H](C)C#N)nn2cccnc12	ZINC001193105595	773006220	/nfs/dbraw/zinc/00/62/20/773006220.db2.gz	YPYWVDOZHOJWFL-QMMMGPOBSA-N	-1	0	323.334	0.560	20	30		DCEDRM
C=CCOCc1nn(C)c2c1CN(C(=O)c1cc(=O)[nH][n-]1)CC2	ZINC001193466088	773067260	/nfs/dbraw/zinc/06/72/60/773067260.db2.gz	OVYKITABDPTBDT-UHFFFAOYSA-N	-1	0	317.349	0.750	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCc3[nH]c(=O)[nH]c(=O)c3C2)ccc1[O-]	ZINC001193504240	773075641	/nfs/dbraw/zinc/07/56/41/773075641.db2.gz	OZMLFVJFJUUGAO-UHFFFAOYSA-N	-1	0	312.285	0.664	20	30		DCEDRM
Cc1nc([N-]S(=O)(=O)c2nccn2C)c(C#N)cc1C#N	ZINC001193556623	773083615	/nfs/dbraw/zinc/08/36/15/773083615.db2.gz	GOYMABXAJYZACA-UHFFFAOYSA-N	-1	0	302.319	0.668	20	30		DCEDRM
COC(=O)[C@@]1(C)COCCN1C(=O)c1cccc(C#N)c1[O-]	ZINC001193646841	773097767	/nfs/dbraw/zinc/09/77/67/773097767.db2.gz	ORFUTTXOUMYVIN-OAHLLOKOSA-N	-1	0	304.302	0.668	20	30		DCEDRM
N#Cc1cccc(C(=O)NCCN2CCCS2(=O)=O)c1[O-]	ZINC001193660376	773099163	/nfs/dbraw/zinc/09/91/63/773099163.db2.gz	XXMVFWQWHPBPFW-UHFFFAOYSA-N	-1	0	309.347	0.029	20	30		DCEDRM
C=CCOCCCC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001195451297	773404339	/nfs/dbraw/zinc/40/43/39/773404339.db2.gz	ARPJFLVDJBXYTM-UHFFFAOYSA-N	-1	0	323.397	0.527	20	30		DCEDRM
C=C(C)CCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001221583689	775154099	/nfs/dbraw/zinc/15/40/99/775154099.db2.gz	QZQYKXJVAIJWOP-VXGBXAGGSA-N	-1	0	305.382	0.899	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001111486311	775340767	/nfs/dbraw/zinc/34/07/67/775340767.db2.gz	ICPJWGBKNAWLOK-UTUOFQBUSA-N	-1	0	321.381	0.325	20	30		DCEDRM
CC(C)C#CC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1	ZINC001222651537	775407506	/nfs/dbraw/zinc/40/75/06/775407506.db2.gz	DAPFSLNSIJTRFC-OLZOCXBDSA-N	-1	0	317.393	0.593	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1oc(=O)oc1C	ZINC001223319903	775482165	/nfs/dbraw/zinc/48/21/65/775482165.db2.gz	VPMNEUMYLHITLK-SECBINFHSA-N	-1	0	308.308	0.517	20	30		DCEDRM
CC1=C(Oc2nc(=O)[n-]nc2Br)C(=O)[C@H](C)O1	ZINC001227064745	775920398	/nfs/dbraw/zinc/92/03/98/775920398.db2.gz	UAAQOBFCECSDKX-VKHMYHEASA-N	-1	0	302.084	0.938	20	30		DCEDRM
C=C[C@@H]1O[C@H](Oc2nnc(C(=O)OC)[n-]2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001228313189	776069421	/nfs/dbraw/zinc/06/94/21/776069421.db2.gz	GGDIMNYJHCJYEA-CIOUSYIGSA-N	-1	0	311.294	0.401	20	30		DCEDRM
C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1nc(O)cc(=O)[n-]1	ZINC001228389126	776077672	/nfs/dbraw/zinc/07/76/72/776077672.db2.gz	RMCPGINJPDJDJW-VIFPVBQESA-N	-1	0	324.289	0.484	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](Oc2ncnc(=O)[n-]2)C[C@H]1C#N	ZINC001229609715	776206077	/nfs/dbraw/zinc/20/60/77/776206077.db2.gz	KUYOOJJDIRGLPZ-DTWKUNHWSA-N	-1	0	307.310	0.858	20	30		DCEDRM
C=CC1(NS(=O)(=O)[C@H]2CCC[C@@H]2C(=O)[O-])CCOCC1	ZINC001465118207	804180546	/nfs/dbraw/zinc/18/05/46/804180546.db2.gz	WYAXVQYBRAIFOO-QWRGUYRKSA-N	-1	0	303.380	0.894	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001602880058	1169197742	/nfs/dbraw/zinc/19/77/42/1169197742.db2.gz	BFPULADSMMMQBX-GHMZBOCLSA-N	-1	0	319.379	0.621	20	30		DCEDRM
CC(C)C#CC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001278310525	945216945	/nfs/dbraw/zinc/21/69/45/945216945.db2.gz	ZWJPHXJZBNTLDL-OLZOCXBDSA-N	-1	0	317.393	0.735	20	30		DCEDRM
C=CCCOCC(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001266551746	939161309	/nfs/dbraw/zinc/16/13/09/939161309.db2.gz	YRZWUIMKSZRISQ-LLVKDONJSA-N	-1	0	309.370	0.041	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001266749237	939228727	/nfs/dbraw/zinc/22/87/27/939228727.db2.gz	FXCRQAISSVINLH-LBPRGKRZSA-N	-1	0	305.382	0.498	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001284563703	940738506	/nfs/dbraw/zinc/73/85/06/940738506.db2.gz	JXURKTSAHRVQJA-UHFFFAOYSA-N	-1	0	323.353	0.073	20	30		DCEDRM
C#CCN1CC[C@]2(CCN(C(=O)c3ccc([O-])c(C#N)c3)C2)C1=O	ZINC001272217111	941818552	/nfs/dbraw/zinc/81/85/52/941818552.db2.gz	DSJRFCRXTOPVLK-GOSISDBHSA-N	-1	0	323.352	0.962	20	30		DCEDRM
COCCn1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1=O	ZINC001611015813	970850160	/nfs/dbraw/zinc/85/01/60/970850160.db2.gz	QBGDHXASWCRSIB-AWEZNQCLSA-N	-1	0	307.306	0.438	20	30		DCEDRM
Cc1onc(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c1C#N	ZINC001600864763	970873765	/nfs/dbraw/zinc/87/37/65/970873765.db2.gz	WPEZJHGYCNDTMD-ZDUSSCGKSA-N	-1	0	314.301	0.604	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC001412846052	942105452	/nfs/dbraw/zinc/10/54/52/942105452.db2.gz	DSOPHAJOISYNJO-SNVBAGLBSA-N	-1	0	304.335	0.903	20	30		DCEDRM
CCN(CC)c1ccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cn1	ZINC001412867353	942115978	/nfs/dbraw/zinc/11/59/78/942115978.db2.gz	AOPMTEBNTVXQFX-UHFFFAOYSA-N	-1	0	314.349	0.930	20	30		DCEDRM
COCCn1cc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)cn1	ZINC001412867435	942115991	/nfs/dbraw/zinc/11/59/91/942115991.db2.gz	DBAMRFCJFAWYSA-UHFFFAOYSA-N	-1	0	315.333	0.740	20	30		DCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@H](O)Cc1ccccc1	ZINC001412880645	942121452	/nfs/dbraw/zinc/12/14/52/942121452.db2.gz	NWROIOZILQZQSS-ZWNOBZJWSA-N	-1	0	314.345	0.349	20	30		DCEDRM
CC(C)c1nnc([C@@H](C)Nc2[n-]c(=O)n(C)c(=O)c2C#N)[nH]1	ZINC001412881148	942121595	/nfs/dbraw/zinc/12/15/95/942121595.db2.gz	KWNXLBWISCMLKO-SSDOTTSWSA-N	-1	0	303.326	0.360	20	30		DCEDRM
COc1cc(CNC(=O)CCCc2nnn[n-]2)ccc1C#N	ZINC001412929353	942142981	/nfs/dbraw/zinc/14/29/81/942142981.db2.gz	IGVWQHJSPAFDBN-UHFFFAOYSA-N	-1	0	300.322	0.719	20	30		DCEDRM
CC1(CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001413311935	942622295	/nfs/dbraw/zinc/62/22/95/942622295.db2.gz	YWWPQUJPKJSLGN-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
C=CCN1CC[C@@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)C1=O	ZINC001272353632	942711458	/nfs/dbraw/zinc/71/14/58/942711458.db2.gz	CXFBKAPIDMDTKK-HNNXBMFYSA-N	-1	0	304.350	0.376	20	30		DCEDRM
C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc(=O)n(C)[n-]1	ZINC001272356366	942712758	/nfs/dbraw/zinc/71/27/58/942712758.db2.gz	UIFNSDYTURREED-CHWSQXEVSA-N	-1	0	318.377	0.907	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2COCC[C@H]2O)cc1C#N	ZINC001413428794	942973168	/nfs/dbraw/zinc/97/31/68/942973168.db2.gz	LHCYGGVZGXUCHC-NXEZZACHSA-N	-1	0	309.347	0.260	20	30		DCEDRM
CCn1cc(Cl)c(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001413596759	943514733	/nfs/dbraw/zinc/51/47/33/943514733.db2.gz	UBGCYTFDFODABU-UHFFFAOYSA-N	-1	0	322.712	0.329	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2CC(NC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001486617037	945003047	/nfs/dbraw/zinc/00/30/47/945003047.db2.gz	SGINRXAYPFITOC-WFRXLMHJSA-N	-1	0	305.338	0.208	20	30		DCEDRM
COC(=O)c1cccc(C=Nn2c(=O)c(C)n[n-]c2=S)c1	ZINC001319122059	945500504	/nfs/dbraw/zinc/50/05/04/945500504.db2.gz	WWACNMXKGVPGFO-UHFFFAOYSA-N	-1	0	304.331	0.904	20	30		DCEDRM
C=CCOc1ccc(C(=O)NCc2nc(=O)o[n-]2)cc1OC	ZINC001319545835	945614985	/nfs/dbraw/zinc/61/49/85/945614985.db2.gz	UZLKWQWYBZZZEV-UHFFFAOYSA-N	-1	0	305.290	0.866	20	30		DCEDRM
N#CCCCCS(=O)(=O)N1CCC(OCC(=O)[O-])CC1	ZINC001321455495	946337545	/nfs/dbraw/zinc/33/75/45/946337545.db2.gz	ZENAGNCFSLUTIV-UHFFFAOYSA-N	-1	0	304.368	0.576	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1)C(=O)[O-]	ZINC001321658747	946417588	/nfs/dbraw/zinc/41/75/88/946417588.db2.gz	VSZBLGFGKDRJDL-QWRGUYRKSA-N	-1	0	318.395	0.194	20	30		DCEDRM
C#C[C@H](CCC)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001602672391	971237192	/nfs/dbraw/zinc/23/71/92/971237192.db2.gz	MFVBKMGUQJWJIU-VXGBXAGGSA-N	-1	0	309.366	0.553	20	30		DCEDRM
C#CCC1(NC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CCC1	ZINC001602675067	971244878	/nfs/dbraw/zinc/24/48/78/971244878.db2.gz	JLQUVWMQSWLYRL-GFCCVEGCSA-N	-1	0	321.377	0.697	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1c(C)cnn1CC1CC1	ZINC001602678570	971255811	/nfs/dbraw/zinc/25/58/11/971255811.db2.gz	BORUJORCNOSBOA-UHFFFAOYSA-N	-1	0	318.333	0.086	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC001602685878	971282899	/nfs/dbraw/zinc/28/28/99/971282899.db2.gz	JKNUQYKDJPZPQM-LLVKDONJSA-N	-1	0	309.366	0.363	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC1CCN(C(=O)CC(C)C)CC1	ZINC001602684108	971279092	/nfs/dbraw/zinc/27/90/92/971279092.db2.gz	QTYFUKAYONWXRC-UHFFFAOYSA-N	-1	0	323.393	0.753	20	30		DCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)n1	ZINC001259843890	947001298	/nfs/dbraw/zinc/00/12/98/947001298.db2.gz	LDLCWIFOTQYHGH-UHFFFAOYSA-N	-1	0	304.287	0.878	20	30		DCEDRM
COc1c(Br)ccc([N-]S(N)(=O)=O)c1C#N	ZINC001260081579	947063961	/nfs/dbraw/zinc/06/39/61/947063961.db2.gz	HIDPOCQQRSAOCX-UHFFFAOYSA-N	-1	0	306.141	0.945	20	30		DCEDRM
N#CC1(NS(=O)(=O)c2cccc(C(=O)[O-])c2)CCOCC1	ZINC001260194886	947080944	/nfs/dbraw/zinc/08/09/44/947080944.db2.gz	VOVRYFQMQUFPOL-UHFFFAOYSA-N	-1	0	310.331	0.736	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(C)c2C#N)cc1	ZINC001260234132	947088791	/nfs/dbraw/zinc/08/87/91/947088791.db2.gz	HOIOFXMVHDJTLC-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1	ZINC001602701953	971329118	/nfs/dbraw/zinc/32/91/18/971329118.db2.gz	DJTTZWMWIGXMQQ-CQSZACIVSA-N	-1	0	320.389	0.865	20	30		DCEDRM
CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccnc(C#N)c2)s1	ZINC001260701167	947140210	/nfs/dbraw/zinc/14/02/10/947140210.db2.gz	WAJWXCZDLMSZTO-UHFFFAOYSA-N	-1	0	323.359	0.591	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCO[C@H]2C)n1CCOC	ZINC001602701133	971326346	/nfs/dbraw/zinc/32/63/46/971326346.db2.gz	XXQYDWMKSYOIMQ-NWDGAFQWSA-N	-1	0	322.365	0.341	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@]2(OC)CCOC2)n1CC=C	ZINC001602701108	971326399	/nfs/dbraw/zinc/32/63/99/971326399.db2.gz	WOYWHWGKHNDRNB-HNNXBMFYSA-N	-1	0	320.349	0.250	20	30		DCEDRM
C=C(C)CNC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001602709767	971348001	/nfs/dbraw/zinc/34/80/01/971348001.db2.gz	JNYZPJYKKMXOOA-LLVKDONJSA-N	-1	0	309.366	0.670	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@]2(C)CCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001411073641	947295956	/nfs/dbraw/zinc/29/59/56/947295956.db2.gz	BRSLEHMGUDYWBT-RFAUZJTJSA-N	-1	0	319.365	0.552	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)NCc1ccccc1C(=O)[O-]	ZINC001602717349	971366359	/nfs/dbraw/zinc/36/63/59/971366359.db2.gz	JJZSAWKPBTWRJV-LLVKDONJSA-N	-1	0	306.318	0.318	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)c1ccccc1	ZINC001324534229	947452332	/nfs/dbraw/zinc/45/23/32/947452332.db2.gz	XRVQNMWCBVVXDE-UKRRQHHQSA-N	-1	0	316.357	0.952	20	30		DCEDRM
C=CCn1cc(CNC(=O)CC2(C(=O)[O-])CCOCC2)nn1	ZINC001261843745	947457526	/nfs/dbraw/zinc/45/75/26/947457526.db2.gz	PZRDAAGJBMRSNM-UHFFFAOYSA-N	-1	0	308.338	0.352	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)c2c[n-]n3c2nccc3=O)cn1	ZINC001094160183	947796137	/nfs/dbraw/zinc/79/61/37/947796137.db2.gz	AWZOZQNKNPWDNN-UHFFFAOYSA-N	-1	0	323.316	0.131	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@@H](CC)C1	ZINC001263330880	947832019	/nfs/dbraw/zinc/83/20/19/947832019.db2.gz	YBQOQFIDMSGAJS-NSHDSACASA-N	-1	0	318.381	0.693	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H](C)CC(=O)[O-]	ZINC001325741476	947907646	/nfs/dbraw/zinc/90/76/46/947907646.db2.gz	DRRJAVPRNCNKJE-SECBINFHSA-N	-1	0	322.292	0.756	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC001325889245	947966774	/nfs/dbraw/zinc/96/67/74/947966774.db2.gz	FOHQHJAQONJHNA-UHFFFAOYSA-N	-1	0	324.334	0.210	20	30		DCEDRM
COC(=O)CCCCS(=O)(=O)[N-]c1ncc(C#N)nc1C	ZINC001196921987	948056161	/nfs/dbraw/zinc/05/61/61/948056161.db2.gz	FQAULWUDBCWDSN-UHFFFAOYSA-N	-1	0	312.351	0.742	20	30		DCEDRM
N#CCCCCS(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-]	ZINC001326462335	948170870	/nfs/dbraw/zinc/17/08/70/948170870.db2.gz	QVLLCYUJDWZCEB-SNVBAGLBSA-N	-1	0	312.351	0.086	20	30		DCEDRM
C=CC[C@H](NC(=O)NCc1nnc2n1CCCCC2)C(=O)[O-]	ZINC001326569795	948202379	/nfs/dbraw/zinc/20/23/79/948202379.db2.gz	CVEUGJBJVCWYNP-JTQLQIEISA-N	-1	0	307.354	0.833	20	30		DCEDRM
C[C@@H](CC#N)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001327443575	948514325	/nfs/dbraw/zinc/51/43/25/948514325.db2.gz	AEQCCKYUODWZOO-QMMMGPOBSA-N	-1	0	307.310	0.060	20	30		DCEDRM
C=CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@H]1CCOC1	ZINC001263551458	948728238	/nfs/dbraw/zinc/72/82/38/948728238.db2.gz	WWSZNTVFWGJROF-SNVBAGLBSA-N	-1	0	304.354	0.161	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](C(=O)N2CCCC2)C1	ZINC001602779144	971514550	/nfs/dbraw/zinc/51/45/50/971514550.db2.gz	SCIOTVWQGCLGID-IAQYHMDHSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C#CCO[N-]C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21	ZINC001328480043	948915890	/nfs/dbraw/zinc/91/58/90/948915890.db2.gz	ZGGAJSXBJXPVIC-UHFFFAOYSA-N	-1	0	321.358	0.262	20	30		DCEDRM
C[C@@]1(C#N)CCN(CN2C(=O)N[C@@](C)(CCC(=O)[O-])C2=O)C1	ZINC001604483738	1169600756	/nfs/dbraw/zinc/60/07/56/1169600756.db2.gz	WJRXRZAPDQLKEQ-KBPBESRZSA-N	-1	0	308.338	0.355	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC001602786305	971533205	/nfs/dbraw/zinc/53/32/05/971533205.db2.gz	KHKUSMMTIGXUDV-GHMZBOCLSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CCN(Cc1cc(=O)n2[n-]cc(C#N)c2n1)[C@@H]1CCNC1=O	ZINC001364388335	949170776	/nfs/dbraw/zinc/17/07/76/949170776.db2.gz	SXSRXRRGKLGXBW-LLVKDONJSA-N	-1	0	300.322	0.017	20	30		DCEDRM
C[C@H](C[S@](C)=O)N(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364693719	949764243	/nfs/dbraw/zinc/76/42/43/949764243.db2.gz	LIAZYXGATHIEFY-BTKVJGODSA-N	-1	0	307.379	0.505	20	30		DCEDRM
CCCN(CC(=O)[O-])C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC001589662414	949873791	/nfs/dbraw/zinc/87/37/91/949873791.db2.gz	PWFZSXOLEPUITN-UHFFFAOYSA-N	-1	0	303.318	0.611	20	30		DCEDRM
C[C@@H]1CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)[C@H]1CCO	ZINC001576180269	949950904	/nfs/dbraw/zinc/95/09/04/949950904.db2.gz	OLVLZDMRXGWYJU-KOLCDFICSA-N	-1	0	314.353	0.516	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)c2cccc(Cl)c2[O-])C1	ZINC001364826153	950020346	/nfs/dbraw/zinc/02/03/46/950020346.db2.gz	ZRBCZGIDECNNRN-UHFFFAOYSA-N	-1	0	302.739	0.695	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001589720940	950420172	/nfs/dbraw/zinc/42/01/72/950420172.db2.gz	YDWRNNAKVCKKQZ-MXWKQRLJSA-N	-1	0	303.384	0.556	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001266208694	950470940	/nfs/dbraw/zinc/47/09/40/950470940.db2.gz	FBUQTXZWXAMZEU-VXGBXAGGSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C#CCN1CC[C@H]1CN(C)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001316599015	950705088	/nfs/dbraw/zinc/70/50/88/950705088.db2.gz	NYGVLTHFMYFUBZ-HNNXBMFYSA-N	-1	0	318.421	0.541	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2noc3c2CCCC3)c(=O)[n-]c1=O	ZINC001365222908	950767269	/nfs/dbraw/zinc/76/72/69/950767269.db2.gz	XVOLEAXGOMVWAX-UHFFFAOYSA-N	-1	0	315.289	0.326	20	30		DCEDRM
C[C@H]1CCCCN1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365446611	951137494	/nfs/dbraw/zinc/13/74/94/951137494.db2.gz	SLTZWPGZRNRYNH-JTQLQIEISA-N	-1	0	305.338	0.405	20	30		DCEDRM
CC[C@](COC)([N-]S(=O)(=O)CC(C)(C)C#N)C(=O)OC	ZINC001365712170	951465515	/nfs/dbraw/zinc/46/55/15/951465515.db2.gz	UNMNQLQDQOYTDO-GFCCVEGCSA-N	-1	0	306.384	0.424	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(=O)n(CCOC)c1	ZINC001332629141	951731537	/nfs/dbraw/zinc/73/15/37/951731537.db2.gz	ZZCWSELISFEJJL-SNVBAGLBSA-N	-1	0	309.322	0.056	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)on1	ZINC001463133512	1013111511	/nfs/dbraw/zinc/11/15/11/1013111511.db2.gz	ATQKCCGOBBCQSH-UHFFFAOYSA-N	-1	0	321.314	0.811	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)NCCc1nc(C(=O)[O-])cs1	ZINC001334198275	952257877	/nfs/dbraw/zinc/25/78/77/952257877.db2.gz	FFISHUJPMGZDHF-NSHDSACASA-N	-1	0	307.375	0.598	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1	ZINC001411854431	952486238	/nfs/dbraw/zinc/48/62/38/952486238.db2.gz	YGPAQZGMQBMJCO-FXAINCCUSA-N	-1	0	314.345	0.706	20	30		DCEDRM
COC(=O)C[C@@]1(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CCOC1	ZINC001412010185	952597959	/nfs/dbraw/zinc/59/79/59/952597959.db2.gz	RAQICDWHADWSAI-HNNXBMFYSA-N	-1	0	319.317	0.419	20	30		DCEDRM
CC(=O)CN(CC(C)C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412258628	952722241	/nfs/dbraw/zinc/72/22/41/952722241.db2.gz	BJVOVSCLGNNSKV-UHFFFAOYSA-N	-1	0	320.349	0.284	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCC(O)(CO)CC2)cc1C#N	ZINC001412326092	952750019	/nfs/dbraw/zinc/75/00/19/952750019.db2.gz	ARQSUXCWOLYDIF-UHFFFAOYSA-N	-1	0	323.374	0.340	20	30		DCEDRM
N#Cc1cccc(OCC(=O)NCc2nc([O-])cc(=O)[nH]2)c1	ZINC001412377241	952767471	/nfs/dbraw/zinc/76/74/71/952767471.db2.gz	QVZXZQCADPHACT-UHFFFAOYSA-N	-1	0	300.274	0.455	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1nc([O-])cc(=O)[nH]1	ZINC001412378537	952769919	/nfs/dbraw/zinc/76/99/19/952769919.db2.gz	XXMYGLHTUFZXKJ-VIFPVBQESA-N	-1	0	314.301	0.843	20	30		DCEDRM
C=CCN(CCOC)c1nnc(-c2cc(=O)[nH][n-]2)n1CC=C	ZINC001339709497	953114332	/nfs/dbraw/zinc/11/43/32/953114332.db2.gz	GNYQPGYAULOIQM-UHFFFAOYSA-N	-1	0	304.354	0.327	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(CC)CCSC	ZINC001339711086	953114683	/nfs/dbraw/zinc/11/46/83/953114683.db2.gz	ZHJAIARVFMZTJU-UHFFFAOYSA-N	-1	0	308.411	0.877	20	30		DCEDRM
Cc1c(C([O-])=C(C#N)C(=O)NC2CC2)nnn1Cc1ccncc1	ZINC001341919540	953258860	/nfs/dbraw/zinc/25/88/60/953258860.db2.gz	COLWYWANUHNTLY-CYBMUJFWSA-N	-1	0	324.344	0.631	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn2c1nc(C)cc2C	ZINC001342603884	953298358	/nfs/dbraw/zinc/29/83/58/953298358.db2.gz	CZGLSRYVQGZWEH-NSHDSACASA-N	-1	0	315.333	0.431	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(C(N)=O)s1	ZINC001342643439	953299877	/nfs/dbraw/zinc/29/98/77/953299877.db2.gz	RUCTVGXXNWUQAS-ZETCQYMHSA-N	-1	0	302.315	0.786	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1nc(C2CC2)nn1C	ZINC001342713176	953303807	/nfs/dbraw/zinc/30/38/07/953303807.db2.gz	YPLJHKLTZHLDSD-SNVBAGLBSA-N	-1	0	312.333	0.560	20	30		DCEDRM
CCc1ccc(Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)cc1	ZINC001593638560	953628383	/nfs/dbraw/zinc/62/83/83/953628383.db2.gz	VBFBBGNALPJZCN-UHFFFAOYSA-N	-1	0	313.313	0.577	20	30		DCEDRM
O=C([O-])[C@@]1(C(=O)NCc2ccc(C(=O)NO)cc2)CCCO1	ZINC001594781302	953631348	/nfs/dbraw/zinc/63/13/48/953631348.db2.gz	KHSIQRSSNLTROB-AWEZNQCLSA-N	-1	0	308.290	0.056	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(CC2(C)COC2)nn1	ZINC001346065866	953795872	/nfs/dbraw/zinc/79/58/72/953795872.db2.gz	YKDJRTMVUGZXPB-JTQLQIEISA-N	-1	0	305.338	0.162	20	30		DCEDRM
CN(C)C(=O)O[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001593687051	953994493	/nfs/dbraw/zinc/99/44/93/953994493.db2.gz	QTJHVXSJNNBFNC-IINYFYTJSA-N	-1	0	311.338	0.680	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC001593729321	954307486	/nfs/dbraw/zinc/30/74/86/954307486.db2.gz	WJZAIIJKIBLNPA-UHFFFAOYSA-N	-1	0	303.318	0.450	20	30		DCEDRM
CC#CCCCC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001284031967	954796460	/nfs/dbraw/zinc/79/64/60/954796460.db2.gz	PNMOZRSHAFBNGC-LBPRGKRZSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C#CCCCC(=O)N(C)CCNC(=O)c1c(C)nc[nH]c1=O	ZINC001284573367	955183185	/nfs/dbraw/zinc/18/31/85/955183185.db2.gz	DQPJRKIFYRQTGJ-UHFFFAOYSA-N	-1	0	304.350	0.482	20	30		DCEDRM
C=CC[C@H](NC(=O)N[C@H](COC)C1CCOCC1)C(=O)[O-]	ZINC001351010202	955235788	/nfs/dbraw/zinc/23/57/88/955235788.db2.gz	GSKLYVVFKVYXBJ-NWDGAFQWSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001284910492	955308212	/nfs/dbraw/zinc/30/82/12/955308212.db2.gz	YSSMEROBRLIZBI-HNNXBMFYSA-N	-1	0	321.381	0.086	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC001589000473	955318562	/nfs/dbraw/zinc/31/85/62/955318562.db2.gz	YZLCXOXKIZNDME-NSHDSACASA-N	-1	0	317.349	0.648	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])CC(=O)Nc1cccc(C#N)c1	ZINC001593841450	955368853	/nfs/dbraw/zinc/36/88/53/955368853.db2.gz	ZPAVPHDKSOYNQZ-UHFFFAOYSA-N	-1	0	319.317	0.446	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@](C)(CC)C1	ZINC001351851296	955430885	/nfs/dbraw/zinc/43/08/85/955430885.db2.gz	HSWGQOZEIPUWNT-OAHLLOKOSA-N	-1	0	318.381	0.693	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CC(CNC(=O)C#CC(C)C)C2)c1[O-]	ZINC001285186871	955498956	/nfs/dbraw/zinc/49/89/56/955498956.db2.gz	SMZNSURVKOGOKA-UHFFFAOYSA-N	-1	0	318.377	0.708	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001285372058	955603593	/nfs/dbraw/zinc/60/35/93/955603593.db2.gz	AYCSUALXGCOFSN-DTWKUNHWSA-N	-1	0	323.353	0.262	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC001593905806	955910028	/nfs/dbraw/zinc/91/00/28/955910028.db2.gz	KJPHGKVVRSHFAJ-CYBMUJFWSA-N	-1	0	321.308	0.446	20	30		DCEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1(S(C)(=O)=O)CC1	ZINC001589088482	955920082	/nfs/dbraw/zinc/92/00/82/955920082.db2.gz	XDQQODGUKSAZPF-KCJUWKMLSA-N	-1	0	302.352	0.073	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1	ZINC001353508301	956086193	/nfs/dbraw/zinc/08/61/93/956086193.db2.gz	ZBFZFTKTWCROBZ-UHFFFAOYSA-N	-1	0	315.420	0.710	20	30		DCEDRM
N#C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	ZINC001594606148	956178672	/nfs/dbraw/zinc/17/86/72/956178672.db2.gz	QPRPMPIAUBDAEQ-WCFLWFBJSA-N	-1	0	319.361	0.318	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCN1C1CC1	ZINC001594606420	956182233	/nfs/dbraw/zinc/18/22/33/956182233.db2.gz	WYECFQDORUBKII-UPJWGTAASA-N	-1	0	306.366	0.621	20	30		DCEDRM
N#CC[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(F)(F)F	ZINC001594606406	956182650	/nfs/dbraw/zinc/18/26/50/956182650.db2.gz	SRHOYXSZUAWYMC-QMMMGPOBSA-N	-1	0	317.223	0.507	20	30		DCEDRM
N#CCC[C@H](NC(=O)C(=O)NCCC(=O)[O-])c1ccccc1	ZINC001594606559	956185385	/nfs/dbraw/zinc/18/53/85/956185385.db2.gz	VQGBQJKTBIBVAL-LBPRGKRZSA-N	-1	0	303.318	0.739	20	30		DCEDRM
N#CCC[C@@H](NC(=O)C(=O)NCCC(=O)[O-])c1ccccc1	ZINC001594606558	956185404	/nfs/dbraw/zinc/18/54/04/956185404.db2.gz	VQGBQJKTBIBVAL-GFCCVEGCSA-N	-1	0	303.318	0.739	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N	ZINC001593931655	956189918	/nfs/dbraw/zinc/18/99/18/956189918.db2.gz	WGMQDWSIWCODLL-AWEZNQCLSA-N	-1	0	324.289	0.740	20	30		DCEDRM
N#Cc1ccc(-c2ccn(CCS(=O)(=O)CC(=O)[O-])n2)cc1	ZINC001594617332	956248073	/nfs/dbraw/zinc/24/80/73/956248073.db2.gz	GWEHLEQOIQWCHL-UHFFFAOYSA-N	-1	0	319.342	0.921	20	30		DCEDRM
CCC[C@@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OCC	ZINC001413887081	956263724	/nfs/dbraw/zinc/26/37/24/956263724.db2.gz	QJSUBPRFZZXVHB-VIFPVBQESA-N	-1	0	308.338	0.337	20	30		DCEDRM
N#Cc1cccc(CNC(=O)COC(=O)[C@@H](C(=O)[O-])C2CC2)c1	ZINC001594625064	956306516	/nfs/dbraw/zinc/30/65/16/956306516.db2.gz	CECXUNOMWXXXAO-CQSZACIVSA-N	-1	0	316.313	0.828	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C2	ZINC001594627355	956323986	/nfs/dbraw/zinc/32/39/86/956323986.db2.gz	PPHRCVKCDMYCTF-GFCCVEGCSA-N	-1	0	308.297	0.944	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1	ZINC001594628521	956332682	/nfs/dbraw/zinc/33/26/82/956332682.db2.gz	ZXIYKPNZHYZNDZ-LRDDRELGSA-N	-1	0	316.313	0.497	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)N[C@@H]3C[C@H]4C[C@H]4C3)C2)c(=O)[n-]c1=O	ZINC001413870562	956550891	/nfs/dbraw/zinc/55/08/91/956550891.db2.gz	UYELJIRUMAYUPI-DOFRTFSJSA-N	-1	0	315.333	0.185	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2cccc(C#N)c2C)CCO1	ZINC001593980010	956707923	/nfs/dbraw/zinc/70/79/23/956707923.db2.gz	LVRDCGYURVHHOC-INIZCTEOSA-N	-1	0	318.329	0.809	20	30		DCEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(C(=O)NO)cc1	ZINC001589217616	956736691	/nfs/dbraw/zinc/73/66/91/956736691.db2.gz	MEUUMKHYRCGYOC-HNNXBMFYSA-N	-1	0	306.318	0.923	20	30		DCEDRM
C=CCN(c1nnc(CCc2nn[nH]n2)n1CC=C)C1CC1	ZINC001355900654	956742675	/nfs/dbraw/zinc/74/26/75/956742675.db2.gz	NWYLARKFPDAYGF-UHFFFAOYSA-N	-1	0	300.370	0.917	20	30		DCEDRM
COCCOc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)o1	ZINC001356022012	956762038	/nfs/dbraw/zinc/76/20/38/956762038.db2.gz	PSXJABCWTHYLOL-UHFFFAOYSA-N	-1	0	310.335	0.736	20	30		DCEDRM
COc1ccc(S(=O)(=O)N[C@@H](C)CC#N)c(CC(=O)[O-])c1	ZINC000050391865	957490353	/nfs/dbraw/zinc/49/03/53/957490353.db2.gz	DNGMKQQYDCPQQF-VIFPVBQESA-N	-1	0	312.347	0.903	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001295461784	957719436	/nfs/dbraw/zinc/71/94/36/957719436.db2.gz	DQUADSBAKUDJAS-GDPRMGEGSA-N	-1	0	322.365	0.249	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCO[C@@H](CCF)C1)cc2=O	ZINC001414035147	957719959	/nfs/dbraw/zinc/71/99/59/957719959.db2.gz	MZOUPLCHQPJQRU-LBPRGKRZSA-N	-1	0	305.313	0.867	20	30		DCEDRM
C#CCCCC(=O)NCCN(CC)C(=O)c1n[nH]c(C)c1[O-]	ZINC001296289518	957949502	/nfs/dbraw/zinc/94/95/02/957949502.db2.gz	AQXOETSFFSRHEE-UHFFFAOYSA-N	-1	0	306.366	0.806	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001588385196	957968323	/nfs/dbraw/zinc/96/83/23/957968323.db2.gz	ABINPVOVIMRPBU-SNVBAGLBSA-N	-1	0	301.302	0.733	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC001588389073	958004864	/nfs/dbraw/zinc/00/48/64/958004864.db2.gz	LWWIWZZICGTVJS-UPJWGTAASA-N	-1	0	324.377	0.100	20	30		DCEDRM
C#CCC[C@H](C)OC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588391384	958022605	/nfs/dbraw/zinc/02/26/05/958022605.db2.gz	GTJIXPWHKZBAFJ-JTQLQIEISA-N	-1	0	302.348	0.611	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCN(C(=O)[C@H](C)C#N)C(C)C)c1[O-]	ZINC001296693434	958035660	/nfs/dbraw/zinc/03/56/60/958035660.db2.gz	WZJOODLCTQPGOU-SNVBAGLBSA-N	-1	0	321.381	0.940	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2c(c1)CCOC2	ZINC001588394948	958037061	/nfs/dbraw/zinc/03/70/61/958037061.db2.gz	HGPCXTWOZPOQMT-UHFFFAOYSA-N	-1	0	316.313	0.244	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)/C(=C/c1ccccc1)NC(C)=O	ZINC001588395072	958038956	/nfs/dbraw/zinc/03/89/56/958038956.db2.gz	JBTKSPJBJCNMMW-UVTDQMKNSA-N	-1	0	300.314	0.710	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cncc2c1CCCC2	ZINC001588397700	958062331	/nfs/dbraw/zinc/06/23/31/958062331.db2.gz	RBNPOLKIAQKAKV-UHFFFAOYSA-N	-1	0	315.329	0.445	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN1Cc1ccccn1	ZINC001588399847	958075332	/nfs/dbraw/zinc/07/53/32/958075332.db2.gz	PNNSRZDBOFOFSD-CQSZACIVSA-N	-1	0	301.346	0.592	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCCN1Cc1ccncc1	ZINC001588400187	958079128	/nfs/dbraw/zinc/07/91/28/958079128.db2.gz	SNELTTOUIFLAKC-HNNXBMFYSA-N	-1	0	315.373	0.983	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CC1(Cn2cnnn2)CCCCC1	ZINC001588401864	958086303	/nfs/dbraw/zinc/08/63/03/958086303.db2.gz	FXDFDZWOBLDBSM-UHFFFAOYSA-N	-1	0	319.365	0.560	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CN1C(=O)CSc2ccccc21	ZINC001588402522	958092850	/nfs/dbraw/zinc/09/28/50/958092850.db2.gz	WIDUCRJOOUIXFZ-UHFFFAOYSA-N	-1	0	318.354	0.672	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cn1nnc(-c2ccc(C)cc2)n1	ZINC001588407690	958103596	/nfs/dbraw/zinc/10/35/96/958103596.db2.gz	UNSDJBROWSIBNJ-UHFFFAOYSA-N	-1	0	313.317	0.195	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1	ZINC001588408620	958114781	/nfs/dbraw/zinc/11/47/81/958114781.db2.gz	VOSVHCXLIONONJ-HUBLWGQQSA-N	-1	0	310.350	0.442	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cc(C(=O)OCC)no1	ZINC001588408847	958117821	/nfs/dbraw/zinc/11/78/21/958117821.db2.gz	IAWNAQLHOXCMPH-UHFFFAOYSA-N	-1	0	309.278	0.081	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001297137412	958152805	/nfs/dbraw/zinc/15/28/05/958152805.db2.gz	KHUGLLXXDRGXIH-ZYHUDNBSSA-N	-1	0	310.354	0.567	20	30		DCEDRM
COCC[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000092130805	958160044	/nfs/dbraw/zinc/16/00/44/958160044.db2.gz	KTOADHXMJJROEP-GFCCVEGCSA-N	-1	0	312.347	0.521	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCc2nncn2C)cc1C#N	ZINC001361638678	958163239	/nfs/dbraw/zinc/16/32/39/958163239.db2.gz	XPWJVTBASCTLDX-UHFFFAOYSA-N	-1	0	304.335	0.439	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)[C@@H](CCC)C(=O)OCC	ZINC001588425168	958223320	/nfs/dbraw/zinc/22/33/20/958223320.db2.gz	GSEUWVUOZOTQMS-JTQLQIEISA-N	-1	0	305.352	0.068	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(COCC)c1	ZINC001588426667	958230475	/nfs/dbraw/zinc/23/04/75/958230475.db2.gz	WNJGJHUYFBIINM-UHFFFAOYSA-N	-1	0	311.359	0.932	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCCN2C)n1CCOC	ZINC001588427321	958243779	/nfs/dbraw/zinc/24/37/79/958243779.db2.gz	UCPBMQHONJXPRU-LBPRGKRZSA-N	-1	0	321.381	0.215	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2[C@H]3CCCO[C@H]32)n1CC	ZINC001588427410	958245748	/nfs/dbraw/zinc/24/57/48/958245748.db2.gz	WJJAEQPTVIZPBY-RAIGVLPGSA-N	-1	0	304.350	0.715	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(COC)n1C[C@H]1CCCO1	ZINC001588427426	958245936	/nfs/dbraw/zinc/24/59/36/958245936.db2.gz	XPPYNMBSSMNQFO-LLVKDONJSA-N	-1	0	308.338	0.128	20	30		DCEDRM
C#CCNC(=O)C1CCN(Cc2cc(C(=O)[O-])nn2C)CC1	ZINC001588431404	958267586	/nfs/dbraw/zinc/26/75/86/958267586.db2.gz	XMKCXAMOLDUVAS-UHFFFAOYSA-N	-1	0	304.350	0.080	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc3c(c2)CCC3)c(=O)[n-]c1=O	ZINC001361746333	958281770	/nfs/dbraw/zinc/28/17/70/958281770.db2.gz	DQUMCLZJKWQWFZ-UHFFFAOYSA-N	-1	0	310.313	0.948	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)N(C)CCCC(=O)[O-])c1	ZINC001588433574	958298221	/nfs/dbraw/zinc/29/82/21/958298221.db2.gz	PEOCFNIEZOZXLU-UHFFFAOYSA-N	-1	0	318.329	0.960	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)N(C)CCCC(=O)[O-]	ZINC001588433598	958298599	/nfs/dbraw/zinc/29/85/99/958298599.db2.gz	PVZWGJGQXZTINX-UHFFFAOYSA-N	-1	0	318.329	0.960	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)NCCOCCOCC(=O)[O-])CC1	ZINC001588434045	958303644	/nfs/dbraw/zinc/30/36/44/958303644.db2.gz	YOXMQWVPLDGTKO-JOCQHMNTSA-N	-1	0	312.366	0.595	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001588444394	958360323	/nfs/dbraw/zinc/36/03/23/958360323.db2.gz	ADVCGJMCZXYVAP-LBPRGKRZSA-N	-1	0	306.318	0.703	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)C#CC2CC2)c1[O-]	ZINC001298062659	958399044	/nfs/dbraw/zinc/39/90/44/958399044.db2.gz	ZJPIFJCQCZAUDV-UHFFFAOYSA-N	-1	0	304.350	0.368	20	30		DCEDRM
C=CCCCCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588458767	958465690	/nfs/dbraw/zinc/46/56/90/958465690.db2.gz	RVKAVEIVOIVZRG-UHFFFAOYSA-N	-1	0	303.380	0.739	20	30		DCEDRM
COc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1C#N	ZINC001594105760	958465713	/nfs/dbraw/zinc/46/57/13/958465713.db2.gz	LYEKAQOIBJTIQX-AWEZNQCLSA-N	-1	0	305.290	0.932	20	30		DCEDRM
C=CCC1(C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])CCOCC1	ZINC001588458655	958466031	/nfs/dbraw/zinc/46/60/31/958466031.db2.gz	XIRFBIUZWWCKLR-NSHDSACASA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)C(=O)OC	ZINC001588465186	958498441	/nfs/dbraw/zinc/49/84/41/958498441.db2.gz	PBBZAEFERNVZEB-GFCCVEGCSA-N	-1	0	307.302	0.859	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)C(=O)OC	ZINC001573337630	958525207	/nfs/dbraw/zinc/52/52/07/958525207.db2.gz	SWNYMDJEUFMDQE-ZJUUUORDSA-N	-1	0	301.339	0.594	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2cccc(F)c2)c(=O)[n-]c1=O	ZINC001362021083	958618444	/nfs/dbraw/zinc/61/84/44/958618444.db2.gz	FXMYNIAQEGZHEM-UHFFFAOYSA-N	-1	0	302.265	0.988	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1ccc(C#N)cc1F)[C@@H](C)C(=O)[O-]	ZINC001588508153	958746516	/nfs/dbraw/zinc/74/65/16/958746516.db2.gz	BOHFMGMNMLCZIY-VIFPVBQESA-N	-1	0	321.308	0.749	20	30		DCEDRM
CNC(=O)Cn1cc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)cn1	ZINC001362123047	958776099	/nfs/dbraw/zinc/77/60/99/958776099.db2.gz	KCSJXNHNMQUVBF-UHFFFAOYSA-N	-1	0	314.305	0.162	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1	ZINC001588538480	958941297	/nfs/dbraw/zinc/94/12/97/958941297.db2.gz	ISXILDCQKGODLV-MEBBXXQBSA-N	-1	0	317.349	0.769	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1	ZINC001588538982	958948337	/nfs/dbraw/zinc/94/83/37/958948337.db2.gz	SLMYDRJVOOYJKM-SDBXPKJASA-N	-1	0	308.294	0.486	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ncnn1-c1ccccc1	ZINC001588541873	958967470	/nfs/dbraw/zinc/96/74/70/958967470.db2.gz	NVFHWSCAWGGKJW-OAHLLOKOSA-N	-1	0	313.317	0.888	20	30		DCEDRM
C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)n1cnc(C#N)n1	ZINC001588551694	959027768	/nfs/dbraw/zinc/02/77/68/959027768.db2.gz	KZHGCIOHOREGAI-PELKAZGASA-N	-1	0	317.280	0.792	20	30		DCEDRM
CCC(=O)[C@@H]1CCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362545699	959565171	/nfs/dbraw/zinc/56/51/71/959565171.db2.gz	YXFHCXOLWDXVAK-NSHDSACASA-N	-1	0	318.333	0.181	20	30		DCEDRM
Cc1nn(C)c(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c1C#N	ZINC001594483114	959639229	/nfs/dbraw/zinc/63/92/29/959639229.db2.gz	DDKIPANKZGMYQH-ZJUUUORDSA-N	-1	0	306.322	0.809	20	30		DCEDRM
Cc1nn(C)c(N2CCN(C(=O)CCC(=O)[O-])CC2)c1C#N	ZINC001594483134	959639835	/nfs/dbraw/zinc/63/98/35/959639835.db2.gz	GFDAZMWMPOCMGI-UHFFFAOYSA-N	-1	0	305.338	0.114	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)[C@H]1C	ZINC001362604982	959682358	/nfs/dbraw/zinc/68/23/58/959682358.db2.gz	NOCSTWWIWVJJJO-GXSJLCMTSA-N	-1	0	303.318	0.991	20	30		DCEDRM
C=CCCC(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1	ZINC001492214566	959707657	/nfs/dbraw/zinc/70/76/57/959707657.db2.gz	XJRFLWDAKVZGCG-UHFFFAOYSA-N	-1	0	303.366	0.537	20	30		DCEDRM
CS[C@@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)C	ZINC001362649891	959766955	/nfs/dbraw/zinc/76/69/55/959766955.db2.gz	NRNNKAXEUSHTOB-JTQLQIEISA-N	-1	0	324.406	0.714	20	30		DCEDRM
N#Cc1ccc(O[C@@H]2CCN(C(=O)CCc3nnn[n-]3)C2)nc1	ZINC001362774008	959968467	/nfs/dbraw/zinc/96/84/67/959968467.db2.gz	KGGGGMBYYSSYBX-LLVKDONJSA-N	-1	0	313.321	0.079	20	30		DCEDRM
CCOC[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001362776709	959973249	/nfs/dbraw/zinc/97/32/49/959973249.db2.gz	FVDYUSNWIQOYKQ-GFCCVEGCSA-N	-1	0	322.365	0.388	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cccc(Cl)n2)c(=O)[n-]c1=O	ZINC001301211664	959998320	/nfs/dbraw/zinc/99/83/20/959998320.db2.gz	MCHLWIWCDKTVSQ-UHFFFAOYSA-N	-1	0	319.708	0.299	20	30		DCEDRM
COC[C@@H]1CCCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362825760	960048233	/nfs/dbraw/zinc/04/82/33/960048233.db2.gz	QDDYQWJEVYDCSB-LLVKDONJSA-N	-1	0	320.349	0.096	20	30		DCEDRM
COc1nscc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362833265	960059997	/nfs/dbraw/zinc/05/99/97/960059997.db2.gz	GTXXYAXTJYZRJM-UHFFFAOYSA-N	-1	0	321.318	0.314	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N(C)Cc1nc(=O)o[n-]1	ZINC001362842322	960075065	/nfs/dbraw/zinc/07/50/65/960075065.db2.gz	UXDUOVHCPRLPJZ-UHFFFAOYSA-N	-1	0	318.289	0.281	20	30		DCEDRM
CO[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1(C)C	ZINC001362874394	960120370	/nfs/dbraw/zinc/12/03/70/960120370.db2.gz	BNXPYBJBYUUSHE-NSHDSACASA-N	-1	0	320.349	0.094	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@H](C#N)C2)cn1	ZINC001362882377	960129194	/nfs/dbraw/zinc/12/91/94/960129194.db2.gz	ZWJDMRJLAGHWCA-SNVBAGLBSA-N	-1	0	308.363	0.829	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@H]2CCCSC2)c(=O)[n-]c1=O	ZINC001413831997	960141933	/nfs/dbraw/zinc/14/19/33/960141933.db2.gz	DAFAQLHQPKFOJH-JTQLQIEISA-N	-1	0	323.378	0.015	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@H]2CC3CCC2CC3)c(=O)[n-]c1=O	ZINC001362933734	960195499	/nfs/dbraw/zinc/19/54/99/960195499.db2.gz	DRRWIWAKEORHKG-HTAVTVPLSA-N	-1	0	316.361	0.763	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc3c(c2)CCC3)c(=O)[n-]c1=O	ZINC001363004901	960287425	/nfs/dbraw/zinc/28/74/25/960287425.db2.gz	VOHHTAQFCCFZAH-UHFFFAOYSA-N	-1	0	324.340	0.739	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CCOC23CCCC3)c(=O)[n-]c1=O	ZINC001363037781	960329505	/nfs/dbraw/zinc/32/95/05/960329505.db2.gz	BDGMMTBSVUNREA-LLVKDONJSA-N	-1	0	318.333	0.038	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2C[C@@H](O)C[C@@]2(C)CO)cc1C#N	ZINC001363101194	960400275	/nfs/dbraw/zinc/40/02/75/960400275.db2.gz	MNKNYNDDYNBHON-XPTSAGLGSA-N	-1	0	323.374	0.339	20	30		DCEDRM
Cc1ccccc1C1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001363123535	960432321	/nfs/dbraw/zinc/43/23/21/960432321.db2.gz	XWBVDMHCRVEEOY-UHFFFAOYSA-N	-1	0	324.340	0.935	20	30		DCEDRM
CN(Cc1ccccc1F)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001363186843	960559955	/nfs/dbraw/zinc/55/99/55/960559955.db2.gz	UVLLCFRRRUOSOG-UHFFFAOYSA-N	-1	0	316.292	0.206	20	30		DCEDRM
COc1ccc(F)cc1C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001363186935	960560626	/nfs/dbraw/zinc/56/06/26/960560626.db2.gz	VCYWNDOTWWSLPI-UHFFFAOYSA-N	-1	0	303.249	0.439	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2ccnc(C(F)(F)F)c2)c1=O	ZINC001363186969	960560920	/nfs/dbraw/zinc/56/09/20/960560920.db2.gz	VKWZCGJOTRQHKC-UHFFFAOYSA-N	-1	0	324.218	0.705	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H]2CCNC(=O)[C@@H]21	ZINC001363335616	960922992	/nfs/dbraw/zinc/92/29/92/960922992.db2.gz	AQDVSACLYNRQTE-GXFFZTMASA-N	-1	0	314.345	0.708	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)c2cnc3n2CCOC3)CC1	ZINC001571086098	961065053	/nfs/dbraw/zinc/06/50/53/961065053.db2.gz	XBTGEGPLPXKJGG-UHFFFAOYSA-N	-1	0	304.306	0.244	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2coc(C#N)c2)C1	ZINC001571092490	961122373	/nfs/dbraw/zinc/12/23/73/961122373.db2.gz	QRVCYOVXZPCRRD-LDYMZIIASA-N	-1	0	306.274	0.630	20	30		DCEDRM
Cc1cccc([C@@H](NC(=O)[C@H](C)n2cnc(C#N)n2)C(=O)[O-])c1	ZINC001574387067	961136908	/nfs/dbraw/zinc/13/69/08/961136908.db2.gz	CWAABTPYZLZUNQ-GXFFZTMASA-N	-1	0	313.317	0.961	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC001574388993	961152473	/nfs/dbraw/zinc/15/24/73/961152473.db2.gz	GEGKZTBXTYLHQC-ZDUSSCGKSA-N	-1	0	310.331	0.389	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)NCc2nc([O-])cc(=O)[nH]2)cc1	ZINC001363488774	961258935	/nfs/dbraw/zinc/25/89/35/961258935.db2.gz	WVCOOKBLEDCXJL-ZDUSSCGKSA-N	-1	0	300.274	0.109	20	30		DCEDRM
C[C@]1(C#N)CN(C(=O)Nc2nc(CC(=O)[O-])cs2)CCO1	ZINC001571106369	961278264	/nfs/dbraw/zinc/27/82/64/961278264.db2.gz	NOCUKGMTRZUFMQ-LBPRGKRZSA-N	-1	0	310.335	0.917	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCS(=O)(=O)[C@@H](C)C1	ZINC001363522836	961353923	/nfs/dbraw/zinc/35/39/23/961353923.db2.gz	CKFIPJOOTIRWJK-VIFPVBQESA-N	-1	0	309.347	0.226	20	30		DCEDRM
N#Cc1cccc(-c2nnc(CN3C[C@H](O)C[C@@H]3C(=O)[O-])o2)c1	ZINC001571120625	961444156	/nfs/dbraw/zinc/44/41/56/961444156.db2.gz	ZMBIOXWKJFLJCL-VXGBXAGGSA-N	-1	0	314.301	0.628	20	30		DCEDRM
CO[C@H]1CC[C@@H](C)N(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001363593962	961514076	/nfs/dbraw/zinc/51/40/76/961514076.db2.gz	LFBKQZGQLKBZOL-PWSUYJOCSA-N	-1	0	320.349	0.237	20	30		DCEDRM
N#C[C@@]1(C(=O)NCCn2cc(C(=O)[O-])nn2)CC2CCC1CC2	ZINC001571132855	961575475	/nfs/dbraw/zinc/57/54/75/961575475.db2.gz	BASXDDPCHNJHCW-NWHVRFAMSA-N	-1	0	317.349	0.813	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@@H](CN(C)c2ncc(C(=O)[O-])cn2)C1	ZINC001571133675	961597185	/nfs/dbraw/zinc/59/71/85/961597185.db2.gz	USOJCZUXMSZYDW-QWRGUYRKSA-N	-1	0	317.349	0.619	20	30		DCEDRM
N#CC1(CNC(=O)NCCOCCOCC(=O)[O-])CCCC1	ZINC001574480980	961668028	/nfs/dbraw/zinc/66/80/28/961668028.db2.gz	RZEHCJPKCWWVBG-UHFFFAOYSA-N	-1	0	313.354	0.487	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cccc(CN2CCOCC2)c1)C(=O)[O-]	ZINC001334998081	961876880	/nfs/dbraw/zinc/87/68/80/961876880.db2.gz	PPQPMBBOWKAECU-HNNXBMFYSA-N	-1	0	316.357	0.725	20	30		DCEDRM
CC(C)O[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001363815744	961950321	/nfs/dbraw/zinc/95/03/21/961950321.db2.gz	UOERVXPBDQONPU-GFCCVEGCSA-N	-1	0	320.349	0.237	20	30		DCEDRM
CC[C@@H]1CO[C@@H](CC)CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001363871616	962054271	/nfs/dbraw/zinc/05/42/71/962054271.db2.gz	IOSOKIYZVFENEK-NEPJUHHUSA-N	-1	0	320.349	0.237	20	30		DCEDRM
CC(C)c1oncc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001364038169	962348752	/nfs/dbraw/zinc/34/87/52/962348752.db2.gz	VADGPPCUVOOFRO-UHFFFAOYSA-N	-1	0	303.278	0.571	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)C(=O)[O-]	ZINC001573303089	962669749	/nfs/dbraw/zinc/66/97/49/962669749.db2.gz	KCSPMLDUQIDJKG-NSHDSACASA-N	-1	0	302.286	0.513	20	30		DCEDRM
C#CCC1(C(=O)N[C@@H]2C[C@H](C)N(C(=O)CNC(=O)[O-])C2)CCC1	ZINC001573303906	962683076	/nfs/dbraw/zinc/68/30/76/962683076.db2.gz	UMTAJGGCXZYRQA-NWDGAFQWSA-N	-1	0	321.377	0.553	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC(Nc3cccc(C#N)c3)C2)c(C#N)c1=O	ZINC001364221060	962695451	/nfs/dbraw/zinc/69/54/51/962695451.db2.gz	LCGOARXFOUBSSO-UHFFFAOYSA-N	-1	0	322.328	0.118	20	30		DCEDRM
C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H]2C(=O)[O-])c1	ZINC001573313899	962739341	/nfs/dbraw/zinc/73/93/41/962739341.db2.gz	TURWLWQNZGBZIJ-ZDUSSCGKSA-N	-1	0	315.329	0.865	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](CO)CCc2ccccc2)c(C#N)c1=O	ZINC001364249316	962748335	/nfs/dbraw/zinc/74/83/35/962748335.db2.gz	DEBQTEQGWICKCI-GFCCVEGCSA-N	-1	0	314.345	0.351	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C[C@H]21	ZINC001573321707	962762024	/nfs/dbraw/zinc/76/20/24/962762024.db2.gz	QFWKJMHMHFKYTL-JZRPKSSGSA-N	-1	0	320.389	0.882	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)Nc2c(F)cccc2F)c1=O	ZINC001364286123	962820998	/nfs/dbraw/zinc/82/09/98/962820998.db2.gz	MDKSVOCXWJWUSE-UHFFFAOYSA-N	-1	0	306.228	0.325	20	30		DCEDRM
C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC001588994164	962826276	/nfs/dbraw/zinc/82/62/76/962826276.db2.gz	YYNXAQFIUJYOSS-SECBINFHSA-N	-1	0	305.290	0.507	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1csc(S(N)(=O)=O)c1	ZINC001573337393	962865832	/nfs/dbraw/zinc/86/58/32/962865832.db2.gz	NNFZLHPVAYWSIO-UHFFFAOYSA-N	-1	0	304.349	0.755	20	30		DCEDRM
C=CCCCC(=O)N(C)C[C@@H]1CCN(C(=O)CNC(=O)[O-])C1	ZINC001573356519	963007843	/nfs/dbraw/zinc/00/78/43/963007843.db2.gz	DETXEBZEIGDJSG-LBPRGKRZSA-N	-1	0	311.382	0.917	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1nnn2cc(C)[nH]c(=O)c12)C(=O)[O-]	ZINC001573365429	963053850	/nfs/dbraw/zinc/05/38/50/963053850.db2.gz	GHEMECPVRXDDFC-SECBINFHSA-N	-1	0	319.321	0.678	20	30		DCEDRM
C#CCCCCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588439858	964031933	/nfs/dbraw/zinc/03/19/33/964031933.db2.gz	HRZKBVQNOQDWBY-RQJABVFESA-N	-1	0	320.389	0.912	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC001588447768	964090807	/nfs/dbraw/zinc/09/08/07/964090807.db2.gz	PPMFOWIJHRRKDH-UHFFFAOYSA-N	-1	0	315.347	0.947	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C2CC2)N(C)C(=O)[C@H](C)C#N)c1[O-]	ZINC001381768170	966669703	/nfs/dbraw/zinc/66/97/03/966669703.db2.gz	ASZOKTADKAOTIG-LDYMZIIASA-N	-1	0	319.365	0.550	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C2CC2)N(C)C(=O)[C@@H](C)C#N)c1[O-]	ZINC001381768165	966669771	/nfs/dbraw/zinc/66/97/71/966669771.db2.gz	ASZOKTADKAOTIG-GZMMTYOYSA-N	-1	0	319.365	0.550	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1cccc(C#N)n1)[C@H](C)C(=O)[O-]	ZINC001609673542	970439584	/nfs/dbraw/zinc/43/95/84/970439584.db2.gz	DGHVVIHGDVFSLB-SECBINFHSA-N	-1	0	304.306	0.005	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1	ZINC001609691421	970449598	/nfs/dbraw/zinc/44/95/98/970449598.db2.gz	OBENPOSTAKKSCZ-MFKMUULPSA-N	-1	0	316.379	0.417	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(c2ncc[nH]2)CC1	ZINC001448687767	1013996150	/nfs/dbraw/zinc/99/61/50/1013996150.db2.gz	SZAYKXXYIWAULS-UHFFFAOYSA-N	-1	0	312.333	0.653	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CNc2ccc(C#N)cn2)C1	ZINC001603360909	972830782	/nfs/dbraw/zinc/83/07/82/972830782.db2.gz	ZTBNBJNDGBGRKV-ZYHUDNBSSA-N	-1	0	302.334	0.934	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1cccc(C#CCO)c1	ZINC001604306637	972962526	/nfs/dbraw/zinc/96/25/26/972962526.db2.gz	SVZMPRCDYODJKI-UHFFFAOYSA-N	-1	0	319.313	0.120	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(CC#N)cc1	ZINC001604306646	972963138	/nfs/dbraw/zinc/96/31/38/972963138.db2.gz	TWVNZRAOIUESCI-UHFFFAOYSA-N	-1	0	304.302	0.843	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N([C@H](C)C(=O)[O-])C2CC2)ccc1C#N	ZINC001605408721	973406470	/nfs/dbraw/zinc/40/64/70/973406470.db2.gz	BWFGNFCJBNMVLK-SECBINFHSA-N	-1	0	316.317	0.664	20	30		DCEDRM
Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3ncncc3C#N)C2)cn1	ZINC001605489707	973635191	/nfs/dbraw/zinc/63/51/91/973635191.db2.gz	VHSNXNFCMJDANJ-MNOVXSKESA-N	-1	0	312.333	0.776	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)Nc1n[nH]c(C2CC2)c1C#N	ZINC001605538640	973728570	/nfs/dbraw/zinc/72/85/70/973728570.db2.gz	DBMZVPQNWUOLQF-UHFFFAOYSA-N	-1	0	300.278	0.843	20	30		DCEDRM
Cn1nc2c(c1CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCCC2	ZINC001605553413	973771354	/nfs/dbraw/zinc/77/13/54/973771354.db2.gz	KWKRKGNVVGJGQY-HNNXBMFYSA-N	-1	0	304.350	0.920	20	30		DCEDRM
N#Cc1c(F)cccc1N1CCN(C(=O)COCC(=O)[O-])CC1	ZINC001605590291	973882174	/nfs/dbraw/zinc/88/21/74/973882174.db2.gz	ASOKRNZCVSZTLL-UHFFFAOYSA-N	-1	0	321.308	0.447	20	30		DCEDRM
N#Cc1cc(F)cc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c1	ZINC001605592048	973893166	/nfs/dbraw/zinc/89/31/66/973893166.db2.gz	PYBCFQFGSUUTEJ-LBPRGKRZSA-N	-1	0	319.292	0.959	20	30		DCEDRM
CC1(C)CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C#N	ZINC001449039060	1014150113	/nfs/dbraw/zinc/15/01/13/1014150113.db2.gz	CZRSARHSEAHKPX-NSHDSACASA-N	-1	0	315.333	0.361	20	30		DCEDRM
N#Cc1cccc(-c2nnc(CN[C@]3(C(=O)[O-])CCOC3)o2)c1	ZINC001605617545	973935005	/nfs/dbraw/zinc/93/50/05/973935005.db2.gz	LIDFDEDOMJPOAJ-OAHLLOKOSA-N	-1	0	314.301	0.942	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000718151965	977959965	/nfs/dbraw/zinc/95/99/65/977959965.db2.gz	UXNDUFCJFVPBAG-ZETCQYMHSA-N	-1	0	303.723	0.311	20	30		DCEDRM
CC[C@@](COC)(NC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC001595188440	979859232	/nfs/dbraw/zinc/85/92/32/979859232.db2.gz	OJQNAAPFMBESCA-HNNXBMFYSA-N	-1	0	306.318	0.933	20	30		DCEDRM
C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001593004029	980220615	/nfs/dbraw/zinc/22/06/15/980220615.db2.gz	XWFSEWWVELEXLF-NSHDSACASA-N	-1	0	321.377	0.898	20	30		DCEDRM
COC(=O)[C@H]1[C@@H]2CN(C(=O)c3[n-]c(=O)c(C#N)cc3C)C[C@@H]21	ZINC001450121405	1014927110	/nfs/dbraw/zinc/92/71/10/1014927110.db2.gz	UALAFIGFURKZSB-URLYPYJESA-N	-1	0	301.302	0.458	20	30		DCEDRM
C#CC(C)(C)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001588367605	983300287	/nfs/dbraw/zinc/30/02/87/983300287.db2.gz	ZPFLHWOVYJKZOD-UHFFFAOYSA-N	-1	0	312.303	0.983	20	30		DCEDRM
C#C[C@H](C)NC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1	ZINC001588368875	983308708	/nfs/dbraw/zinc/30/87/08/983308708.db2.gz	VBWNVABJHGRGLY-JTQLQIEISA-N	-1	0	313.313	0.544	20	30		DCEDRM
C#C[C@H]([C@@H]1CCCO1)N1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O	ZINC001588369647	983316117	/nfs/dbraw/zinc/31/61/17/983316117.db2.gz	RUMJUIJRCPUUJA-QNGPIJNLSA-N	-1	0	320.345	0.733	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C1CCOCC1	ZINC001588375935	983348592	/nfs/dbraw/zinc/34/85/92/983348592.db2.gz	AEUWBXWFLHBGNO-LLVKDONJSA-N	-1	0	313.331	0.685	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)C1CCOCC1	ZINC001588376622	983352400	/nfs/dbraw/zinc/35/24/00/983352400.db2.gz	WDZSAPZBPMRUIJ-JTQLQIEISA-N	-1	0	313.331	0.685	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2sc(C)cc2C(=O)[O-])C1	ZINC001588376897	983354364	/nfs/dbraw/zinc/35/43/64/983354364.db2.gz	ZKXDOLXVZCBMMQ-UHFFFAOYSA-N	-1	0	310.306	0.877	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)C1	ZINC001588382172	983369534	/nfs/dbraw/zinc/36/95/34/983369534.db2.gz	IOJHMNRDEYTZRR-BLLLJJGKSA-N	-1	0	306.362	0.572	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC001588384014	983386410	/nfs/dbraw/zinc/38/64/10/983386410.db2.gz	RYSJMOOFVAMGFZ-LBPRGKRZSA-N	-1	0	309.343	0.549	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2	ZINC001588394004	983401304	/nfs/dbraw/zinc/40/13/04/983401304.db2.gz	LEBSKOMWSJLLNL-BDAKNGLRSA-N	-1	0	323.374	0.838	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)[O-]	ZINC001588399664	983416434	/nfs/dbraw/zinc/41/64/34/983416434.db2.gz	WYGAVLALAHPFLB-WYUUTHIRSA-N	-1	0	320.345	0.143	20	30		DCEDRM
C#CC[C@H](NC(=O)CC1(C(=O)OCC)CCOCC1)C(=O)[O-]	ZINC001588405594	983422156	/nfs/dbraw/zinc/42/21/56/983422156.db2.gz	HPEWZNPZGRREMI-NSHDSACASA-N	-1	0	311.334	0.329	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588413877	983432488	/nfs/dbraw/zinc/43/24/88/983432488.db2.gz	KGRXLJVYBHTAFV-DCAQKATOSA-N	-1	0	310.350	0.740	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(NC(=O)C=C)ccc1O)C(=O)[O-]	ZINC001588413920	983432617	/nfs/dbraw/zinc/43/26/17/983432617.db2.gz	KXEJLDWPTQKNGT-NSHDSACASA-N	-1	0	302.286	0.723	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1c(CC)nn(C)c1CC)C(=O)[O-]	ZINC001588424168	983454831	/nfs/dbraw/zinc/45/48/31/983454831.db2.gz	SMIDRWPLHOJWKA-SNVBAGLBSA-N	-1	0	313.379	0.300	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)CCc1ccc2c(c1)CCO2)C(=O)[O-]	ZINC001588424311	983455264	/nfs/dbraw/zinc/45/52/64/983455264.db2.gz	VKQMOJYUDVAUIP-CYBMUJFWSA-N	-1	0	323.370	0.560	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC001588428546	983462635	/nfs/dbraw/zinc/46/26/35/983462635.db2.gz	SAZPSRIWSVMAAB-SNVBAGLBSA-N	-1	0	312.734	0.966	20	30		DCEDRM
C#CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1	ZINC001588432031	983467346	/nfs/dbraw/zinc/46/73/46/983467346.db2.gz	VGIGAVDMUPQKBF-UHFFFAOYSA-N	-1	0	313.331	0.517	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC001588435100	983474749	/nfs/dbraw/zinc/47/47/49/983474749.db2.gz	COGQPMLFHDLIAV-UTSBKAFOSA-N	-1	0	323.370	0.837	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588435131	983474821	/nfs/dbraw/zinc/47/48/21/983474821.db2.gz	DHILYZDZENIJJY-GFCCVEGCSA-N	-1	0	316.361	0.803	20	30		DCEDRM
C#CCCN1CCN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CC1	ZINC001588453834	983477829	/nfs/dbraw/zinc/47/78/29/983477829.db2.gz	XUQPWILYMIBLRN-CQSZACIVSA-N	-1	0	307.394	0.093	20	30		DCEDRM
C#CCN(C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC001588461736	983491264	/nfs/dbraw/zinc/49/12/64/983491264.db2.gz	ZHWUZINPRQXKJO-OAHLLOKOSA-N	-1	0	313.357	0.845	20	30		DCEDRM
C#CCN(Cc1cc(C(=O)[O-])c(C)n1C)[C@@H]1CCS(=O)(=O)C1	ZINC001588470020	983504594	/nfs/dbraw/zinc/50/45/94/983504594.db2.gz	ZIJAZTCHCGIFRD-GFCCVEGCSA-N	-1	0	324.402	0.654	20	30		DCEDRM
C#CCNC(=O)CN1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1	ZINC001588484010	983522849	/nfs/dbraw/zinc/52/28/49/983522849.db2.gz	NSKMLCGAUQKEBJ-QWHCGFSZSA-N	-1	0	322.311	0.814	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)c1ncc(C(=O)[O-])cn1	ZINC001588489965	983529967	/nfs/dbraw/zinc/52/99/67/983529967.db2.gz	FJIWZRYZGGJNCM-GHMZBOCLSA-N	-1	0	320.349	0.154	20	30		DCEDRM
C#CCOCCC(=O)NC[C@H](C)N(C)c1ncc(C(=O)[O-])cn1	ZINC001588490011	983530380	/nfs/dbraw/zinc/53/03/80/983530380.db2.gz	PXTAOROCUWXQPI-NSHDSACASA-N	-1	0	320.349	0.156	20	30		DCEDRM
C#CCSCC(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001588506479	983551902	/nfs/dbraw/zinc/55/19/02/983551902.db2.gz	RVHSCOCSVINZSV-JTQLQIEISA-N	-1	0	313.375	0.608	20	30		DCEDRM
C#Cc1ccc(C(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1	ZINC001588510363	983555384	/nfs/dbraw/zinc/55/53/84/983555384.db2.gz	BEKDTXJYJUYFMJ-STQMWFEESA-N	-1	0	300.314	0.235	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)N[C@H](CC(=O)[O-])C2CC2)cc1	ZINC001588516820	983562255	/nfs/dbraw/zinc/56/22/55/983562255.db2.gz	CVJWSJFEWIWIAZ-CYBMUJFWSA-N	-1	0	300.314	0.976	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])c1	ZINC001588517743	983566674	/nfs/dbraw/zinc/56/66/74/983566674.db2.gz	HANPBMWHDRXUPF-CHWSQXEVSA-N	-1	0	300.314	0.121	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588530156	983583560	/nfs/dbraw/zinc/58/35/60/983583560.db2.gz	SKCFCHJDJCSUNH-NEPJUHHUSA-N	-1	0	308.378	0.980	20	30		DCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC001588537760	983601665	/nfs/dbraw/zinc/60/16/65/983601665.db2.gz	XQUNSQMDFHCOCK-SECBINFHSA-N	-1	0	303.336	0.892	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC001596231795	983627567	/nfs/dbraw/zinc/62/75/67/983627567.db2.gz	UFVMWUYYYWKSGD-ZIQFBCGOSA-N	-1	0	315.395	0.412	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)CSC[C@H](NC(C)=O)C(=O)[O-]	ZINC001596231838	983627572	/nfs/dbraw/zinc/62/75/72/983627572.db2.gz	VHXQGZRNJDRKFS-ONGXEEELSA-N	-1	0	315.395	0.317	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-]	ZINC001588555908	983637862	/nfs/dbraw/zinc/63/78/62/983637862.db2.gz	WNBAHQZMEDIKDN-JTQLQIEISA-N	-1	0	300.336	0.788	20	30		DCEDRM
C=C(C)CN(CC)C(=O)COC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001588562961	983644194	/nfs/dbraw/zinc/64/41/94/983644194.db2.gz	LPDOPIOTACKLLC-UHFFFAOYSA-N	-1	0	309.322	0.549	20	30		DCEDRM
C=C(C)COCCNC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588570022	983650764	/nfs/dbraw/zinc/65/07/64/983650764.db2.gz	SHWOCMMXFBUOSJ-MNOVXSKESA-N	-1	0	314.338	0.094	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588599195	983688692	/nfs/dbraw/zinc/68/86/92/983688692.db2.gz	IJXVIRSKRFSKOW-BJDJZHNGSA-N	-1	0	311.334	0.300	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC001588605718	983694418	/nfs/dbraw/zinc/69/44/18/983694418.db2.gz	OGPSZNJBGZBOAO-KGYLQXTDSA-N	-1	0	313.350	0.736	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	ZINC001588619295	983715897	/nfs/dbraw/zinc/71/58/97/983715897.db2.gz	PZNRJFWMPNBAJO-RYUDHWBXSA-N	-1	0	313.350	0.786	20	30		DCEDRM
CCN(CCC(=O)[O-])CCS(=O)(=O)c1ccc(C#N)cn1	ZINC001596314104	983741035	/nfs/dbraw/zinc/74/10/35/983741035.db2.gz	GGOXVIBJTFJNKR-UHFFFAOYSA-N	-1	0	311.363	0.524	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nc(C)cc(C#N)n1	ZINC001596332907	983771397	/nfs/dbraw/zinc/77/13/97/983771397.db2.gz	MHJLEHISEUQTCC-VXGBXAGGSA-N	-1	0	317.349	0.320	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1	ZINC001588669702	983814278	/nfs/dbraw/zinc/81/42/78/983814278.db2.gz	NSWLSRZDDHJHTL-JSGCOSHPSA-N	-1	0	309.410	0.691	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588671525	983821169	/nfs/dbraw/zinc/82/11/69/983821169.db2.gz	COBZDWVJDPNBCO-DDHJBXDOSA-N	-1	0	308.378	0.930	20	30		DCEDRM
C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588672317	983824901	/nfs/dbraw/zinc/82/49/01/983824901.db2.gz	REVWVXRIKDYGGE-LVEVGFFFSA-N	-1	0	306.362	0.492	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)C[C@@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588683796	983851743	/nfs/dbraw/zinc/85/17/43/983851743.db2.gz	DZDHOLACXKQVHN-BMIGLBTASA-N	-1	0	322.365	0.183	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588683798	983851814	/nfs/dbraw/zinc/85/18/14/983851814.db2.gz	DZDHOLACXKQVHN-MEBBXXQBSA-N	-1	0	322.365	0.183	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001588684900	983865144	/nfs/dbraw/zinc/86/51/44/983865144.db2.gz	ZYVFITYPJCHTEC-OAHLLOKOSA-N	-1	0	320.349	0.151	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001588684857	983865346	/nfs/dbraw/zinc/86/53/46/983865346.db2.gz	ZNLXVWJATIAUGG-OTYXRUKQSA-N	-1	0	308.338	0.419	20	30		DCEDRM
C=CC[C@H](OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)[O-]	ZINC001588753990	984090348	/nfs/dbraw/zinc/09/03/48/984090348.db2.gz	QVNPRPLREBOYDA-DCAQKATOSA-N	-1	0	309.318	0.734	20	30		DCEDRM
C=CCCC(=O)N[C@@H]1[C@H]2CN(c3ccnc(C(=O)[O-])n3)C[C@H]21	ZINC001588776976	984154616	/nfs/dbraw/zinc/15/46/16/984154616.db2.gz	OYIJNWHOFZKNRC-IWIIMEHWSA-N	-1	0	302.334	0.692	20	30		DCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC001588779253	984165099	/nfs/dbraw/zinc/16/50/99/984165099.db2.gz	VCADUQMOLPORJG-VIFPVBQESA-N	-1	0	303.336	0.892	20	30		DCEDRM
C=CCCC[C@H](NC(=O)CNC(=O)c1cccnc1)C(=O)[O-]	ZINC001588788630	984191528	/nfs/dbraw/zinc/19/15/28/984191528.db2.gz	IRRKFPJLVSYXRF-LBPRGKRZSA-N	-1	0	305.334	0.737	20	30		DCEDRM
C=CCCC[C@H](NC(=O)Cn1ccc(C(=O)[O-])n1)C(=O)OC	ZINC001588794215	984225175	/nfs/dbraw/zinc/22/51/75/984225175.db2.gz	OKONTQSQIBAZAQ-NSHDSACASA-N	-1	0	309.322	0.595	20	30		DCEDRM
C=CCCn1cc(C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)nn1	ZINC001588817201	984275584	/nfs/dbraw/zinc/27/55/84/984275584.db2.gz	DOFWGRMCSOENEB-SECBINFHSA-N	-1	0	320.309	0.448	20	30		DCEDRM
C=CCN(C)S(=O)(=O)c1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC001588822828	984291743	/nfs/dbraw/zinc/29/17/43/984291743.db2.gz	SOHOWLISETUPFQ-UHFFFAOYSA-N	-1	0	313.331	0.978	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)N1CCOc2c(cccc2C(=O)[O-])C1	ZINC001588822948	984293478	/nfs/dbraw/zinc/29/34/78/984293478.db2.gz	ZITISVNZMSZOMH-UHFFFAOYSA-N	-1	0	318.329	0.750	20	30		DCEDRM
C=CCN1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)C1	ZINC001588839263	984346499	/nfs/dbraw/zinc/34/64/99/984346499.db2.gz	QHODRIKUJWURPD-CHWSQXEVSA-N	-1	0	308.378	0.587	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1	ZINC001588849643	984373229	/nfs/dbraw/zinc/37/32/29/984373229.db2.gz	CQDLPXCPFSPJLD-NEPJUHHUSA-N	-1	0	308.334	0.080	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)C(=O)OC	ZINC001588853851	984386629	/nfs/dbraw/zinc/38/66/29/984386629.db2.gz	JPYCHWADTBWVKR-OKPNEXGHSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1[nH]ncc1C(F)(F)F)C(=O)[O-]	ZINC001588856493	984400975	/nfs/dbraw/zinc/40/09/75/984400975.db2.gz	KNUMHFMLVXYYNT-ZETCQYMHSA-N	-1	0	307.228	0.814	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnc([C@H](C)O)s1)C(=O)[O-]	ZINC001588860226	984411823	/nfs/dbraw/zinc/41/18/23/984411823.db2.gz	MQTJRPUMBIXUAU-YUMQZZPRSA-N	-1	0	300.336	0.582	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)C[C@H]1CCC1(F)F)C(=O)[O-]	ZINC001588865855	984420699	/nfs/dbraw/zinc/42/06/99/984420699.db2.gz	DKEWYZYKBMSPAH-RKDXNWHRSA-N	-1	0	313.322	0.607	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	ZINC001588868756	984435375	/nfs/dbraw/zinc/43/53/75/984435375.db2.gz	AOIVYRIQZHGQDU-MLGOLLRUSA-N	-1	0	324.377	0.409	20	30		DCEDRM
C=CCn1c(-c2c[nH]nc2OC)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588886541	984472410	/nfs/dbraw/zinc/47/24/10/984472410.db2.gz	LHMROYFXCJVDKU-VIFPVBQESA-N	-1	0	318.337	0.774	20	30		DCEDRM
C=CCn1c(-c2n[nH]cc2C)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588889732	984481223	/nfs/dbraw/zinc/48/12/23/984481223.db2.gz	BUBDSNZHACIJEY-JTQLQIEISA-N	-1	0	318.337	0.452	20	30		DCEDRM
C=CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588889738	984481359	/nfs/dbraw/zinc/48/13/59/984481359.db2.gz	BYEHRWVVTRDHSB-GFCCVEGCSA-N	-1	0	315.333	0.816	20	30		DCEDRM
C=CCn1c(-c2cocn2)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001588890323	984485920	/nfs/dbraw/zinc/48/59/20/984485920.db2.gz	YGVGFWBIJAUBSG-SNVBAGLBSA-N	-1	0	319.321	0.799	20	30		DCEDRM
C=CCn1c(-c2ncon2)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588891487	984488300	/nfs/dbraw/zinc/48/83/00/984488300.db2.gz	MJXAFSIKRZOPAQ-ZDUSSCGKSA-N	-1	0	304.310	0.815	20	30		DCEDRM
C=CCn1c(CC(F)F)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588898257	984516909	/nfs/dbraw/zinc/51/69/09/984516909.db2.gz	UXFKAUJMGGMLCC-QMMMGPOBSA-N	-1	0	302.281	0.562	20	30		DCEDRM
CC#CCCCC(=O)NCCCNc1ccnc(C(=O)[O-])n1	ZINC001588926938	984595032	/nfs/dbraw/zinc/59/50/32/984595032.db2.gz	DHJPSRHNUUYHAZ-UHFFFAOYSA-N	-1	0	304.350	0.709	20	30		DCEDRM
C[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)C[C@@H](C(=O)[O-])O1	ZINC001599916641	985066569	/nfs/dbraw/zinc/06/65/69/985066569.db2.gz	RGGNPJILQQVHBH-ONGXEEELSA-N	-1	0	304.306	0.066	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)c2cnc[nH]c2=O)CC1(C)C	ZINC001450451406	1015145826	/nfs/dbraw/zinc/14/58/26/1015145826.db2.gz	PFOHUAQGKWXHFX-GXSJLCMTSA-N	-1	0	317.349	0.309	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)CC(=O)NC1(C#N)CCCCC1	ZINC001596877014	985730405	/nfs/dbraw/zinc/73/04/05/985730405.db2.gz	GOHTVCCCCFRXEM-GFCCVEGCSA-N	-1	0	311.382	0.751	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1C	ZINC001589328619	986157875	/nfs/dbraw/zinc/15/78/75/986157875.db2.gz	DUGPCKOAFDFBFV-OPRDCNLKSA-N	-1	0	303.322	0.275	20	30		DCEDRM
C[C@H](C#N)C(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CCC1	ZINC001589328552	986157972	/nfs/dbraw/zinc/15/79/72/986157972.db2.gz	CABGRCAKCKZALH-SECBINFHSA-N	-1	0	303.322	0.207	20	30		DCEDRM
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001589330070	986168954	/nfs/dbraw/zinc/16/89/54/986168954.db2.gz	XYIBSLVGWVWOMQ-FXPVBKGRSA-N	-1	0	303.322	0.593	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N([C@@H](C)C(=O)[O-])C1CCC1	ZINC001589330665	986176127	/nfs/dbraw/zinc/17/61/27/986176127.db2.gz	MSFOCKJKHMIRLB-UWVGGRQHSA-N	-1	0	303.384	0.650	20	30		DCEDRM
C[C@H](C(=O)N[C@@H](C(=O)[O-])c1cccnc1)n1cnc(C#N)n1	ZINC001589379224	986454601	/nfs/dbraw/zinc/45/46/01/986454601.db2.gz	ZTWVEHJTJPCKLE-LDYMZIIASA-N	-1	0	300.278	0.048	20	30		DCEDRM
C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001589389102	986500434	/nfs/dbraw/zinc/50/04/34/986500434.db2.gz	VPUMCNXOMNUIRH-UPJWGTAASA-N	-1	0	323.393	0.891	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001590927274	990932701	/nfs/dbraw/zinc/93/27/01/990932701.db2.gz	XMWRKFFCRBSYHS-QWHCGFSZSA-N	-1	0	306.362	0.474	20	30		DCEDRM
CN(C)S(=O)(=O)N(CC#N)Cc1csc(C(=O)[O-])c1	ZINC001598265182	991107317	/nfs/dbraw/zinc/10/73/17/991107317.db2.gz	IZLRYXHAOJDQIY-UHFFFAOYSA-N	-1	0	303.365	0.578	20	30		DCEDRM
CS(=O)(=O)N1CCC[C@H](Nc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001599756492	992061098	/nfs/dbraw/zinc/06/10/98/992061098.db2.gz	ZZZAXPINOGANKX-VIFPVBQESA-N	-1	0	324.362	0.487	20	30		DCEDRM
CN(CCCN(C)c1ccc(C#N)cn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001598478411	992110818	/nfs/dbraw/zinc/11/08/18/992110818.db2.gz	NBQMTMGYVKFTJO-CHWSQXEVSA-N	-1	0	316.361	0.959	20	30		DCEDRM
CS(=O)(=O)c1cc(NC(=O)NCCC#N)cc(C(=O)[O-])c1	ZINC001599766298	992187365	/nfs/dbraw/zinc/18/73/65/992187365.db2.gz	BALMFFUSGGIREM-UHFFFAOYSA-N	-1	0	311.319	0.823	20	30		DCEDRM
CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001598485203	992196219	/nfs/dbraw/zinc/19/62/19/992196219.db2.gz	PKOMMJZESVFZNT-NWDGAFQWSA-N	-1	0	302.334	0.569	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)C#Cc1ccccc1)C(=O)[O-]	ZINC001591453477	992559665	/nfs/dbraw/zinc/55/96/65/992559665.db2.gz	JGHFEXJRBOUULR-AWEZNQCLSA-N	-1	0	316.357	0.770	20	30		DCEDRM
C[C@H](N[C@@H](Cc1cncs1)C(=O)[O-])C(=O)N(C)CCC#N	ZINC001593211338	994265247	/nfs/dbraw/zinc/26/52/47/994265247.db2.gz	WRVSYNGESVXXFR-ONGXEEELSA-N	-1	0	310.379	0.489	20	30		DCEDRM
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C(C)(C)O	ZINC001593333804	994905801	/nfs/dbraw/zinc/90/58/01/994905801.db2.gz	GTBJSHXCCTYTRF-MRVPVSSYSA-N	-1	0	312.347	0.694	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(CCNC(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC001396356097	995339994	/nfs/dbraw/zinc/33/99/94/995339994.db2.gz	YPTBCZGERFWEDZ-SECBINFHSA-N	-1	0	319.365	0.600	20	30		DCEDRM
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[C@@](O)(C(=O)[O-])C1	ZINC001598711079	995349002	/nfs/dbraw/zinc/34/90/02/995349002.db2.gz	IGBZGXXDMVPJAH-DOMZBBRYSA-N	-1	0	304.302	0.294	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1	ZINC001598716688	995418856	/nfs/dbraw/zinc/41/88/56/995418856.db2.gz	QSFRMRYBAQBXAE-NSHDSACASA-N	-1	0	321.333	0.648	20	30		DCEDRM
C[C@@H](OC(=O)Cc1ccc(C#N)nc1)c1cn(CC(=O)[O-])nn1	ZINC001593535019	995592566	/nfs/dbraw/zinc/59/25/66/995592566.db2.gz	LILJHXDVKCMRAW-SECBINFHSA-N	-1	0	315.289	0.476	20	30		DCEDRM
N#CCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(F)cc1	ZINC001464851901	1015957636	/nfs/dbraw/zinc/95/76/36/1015957636.db2.gz	CFGNTJSIEBUUFB-UHFFFAOYSA-N	-1	0	303.253	0.982	20	30		DCEDRM
C[C@@H](OC(=O)c1ccc(C(=O)[O-])[nH]1)C(=O)NC1(C#N)CCC1	ZINC001593572577	995667023	/nfs/dbraw/zinc/66/70/23/995667023.db2.gz	FBGLAEULZWOWEA-MRVPVSSYSA-N	-1	0	305.290	0.821	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)cn1	ZINC001598753689	995687672	/nfs/dbraw/zinc/68/76/72/995687672.db2.gz	QYPWYGYFTMBTBX-ZYHUDNBSSA-N	-1	0	317.301	0.432	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)NCCCCC#N)cc2=O)n1	ZINC001464973897	1015974821	/nfs/dbraw/zinc/97/48/21/1015974821.db2.gz	BVYXVKCQBBQROT-UHFFFAOYSA-N	-1	0	314.349	0.996	20	30		DCEDRM
C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001593606755	995786219	/nfs/dbraw/zinc/78/62/19/995786219.db2.gz	WJTPKMQQCLTEII-VXGBXAGGSA-N	-1	0	310.350	0.787	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)Nc2sccc2C#N)C[C@H]1C(=O)[O-]	ZINC001598814276	996256578	/nfs/dbraw/zinc/25/65/78/996256578.db2.gz	KBTZDUVEFGLKLH-BDAKNGLRSA-N	-1	0	323.330	0.957	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C1	ZINC001593740600	996357417	/nfs/dbraw/zinc/35/74/17/996357417.db2.gz	SKSQODGVHDDDSC-NWHVRFAMSA-N	-1	0	307.350	0.508	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1	ZINC001593761911	996425825	/nfs/dbraw/zinc/42/58/25/996425825.db2.gz	FWIVSJOHWKZMRR-IAQYHMDHSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN(c2cccc(S(N)(=O)=O)c2C#N)C1	ZINC001593779136	996488395	/nfs/dbraw/zinc/48/83/95/996488395.db2.gz	SVTJNZGTNRLOBG-CQSZACIVSA-N	-1	0	323.374	0.897	20	30		DCEDRM
COC(=O)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)[O-]	ZINC001598842003	996533618	/nfs/dbraw/zinc/53/36/18/996533618.db2.gz	SWRZWSBKBDUUCL-XQQFMLRXSA-N	-1	0	316.313	0.794	20	30		DCEDRM
CC(C)C[C@H](C(=O)[O-])N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	ZINC001573491287	1163450802	/nfs/dbraw/zinc/45/08/02/1163450802.db2.gz	KCGYOBCHZQEHLZ-LOWVWBTDSA-N	-1	0	300.380	0.356	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN(C)CCC#N	ZINC001599380023	996820318	/nfs/dbraw/zinc/82/03/18/996820318.db2.gz	CNEOTNBORMXRLU-LBPRGKRZSA-N	-1	0	308.334	0.979	20	30		DCEDRM
CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(=O)o[n-]1	ZINC001466307456	1016067686	/nfs/dbraw/zinc/06/76/86/1016067686.db2.gz	QDFHPAOQHZQPHL-VIFPVBQESA-N	-1	0	324.337	0.286	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN1CC(=O)NC1(C#N)CCCCC1	ZINC001599193551	997171499	/nfs/dbraw/zinc/17/14/99/997171499.db2.gz	RGAYGXIKCIGJAP-INIZCTEOSA-N	-1	0	323.393	0.895	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC001599193502	997172273	/nfs/dbraw/zinc/17/22/73/997172273.db2.gz	PCJNSFPKZUFBIX-LSDHHAIUSA-N	-1	0	309.366	0.360	20	30		DCEDRM
C[C@H]1C[C@H](CCNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001466826825	1016115749	/nfs/dbraw/zinc/11/57/49/1016115749.db2.gz	DDUKUZIGKIVICF-WDEREUQCSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1	ZINC001502906669	1016128137	/nfs/dbraw/zinc/12/81/37/1016128137.db2.gz	PRANZBVHNYOZRG-GHMZBOCLSA-N	-1	0	309.370	0.182	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)Cc2noc(C)c2C#N)[C@@H](C(=O)[O-])C1	ZINC001599117465	997680343	/nfs/dbraw/zinc/68/03/43/997680343.db2.gz	HHOFKPKFOAVTQP-BXKDBHETSA-N	-1	0	307.306	0.488	20	30		DCEDRM
CO[C@H]1CCN(C(=O)c2ccc(C#N)c(C)n2)[C@H](C(=O)[O-])C1	ZINC001599120010	997722408	/nfs/dbraw/zinc/72/24/08/997722408.db2.gz	JRPPJLOOMLIBRH-AAEUAGOBSA-N	-1	0	303.318	0.966	20	30		DCEDRM
CO[C@@H]1CN(C(=O)c2ncc(C#N)cc2C)[C@@](C)(C(=O)[O-])C1	ZINC001599129630	997917523	/nfs/dbraw/zinc/91/75/23/997917523.db2.gz	FKPZHDFHIKSIDE-XHDPSFHLSA-N	-1	0	303.318	0.966	20	30		DCEDRM
CO[C@H]1CN(C(=O)c2cc(O)cc(C#N)c2)[C@@](C)(C(=O)[O-])C1	ZINC001599130685	997937026	/nfs/dbraw/zinc/93/70/26/997937026.db2.gz	POVIETUJXMCBAH-IUODEOHRSA-N	-1	0	304.302	0.968	20	30		DCEDRM
COCCN(Cc1ccc(C#N)cc1)C(=O)COCC(=O)[O-]	ZINC001599238043	997981251	/nfs/dbraw/zinc/98/12/51/997981251.db2.gz	HSSIYBZGWQQFPT-UHFFFAOYSA-N	-1	0	306.318	0.634	20	30		DCEDRM
COc1cc(C#N)ccc1CN1[C@H](C(=O)[O-])CCS1(=O)=O	ZINC001599348765	998056610	/nfs/dbraw/zinc/05/66/10/998056610.db2.gz	AGGMBMCBVCGKKG-NSHDSACASA-N	-1	0	310.331	0.556	20	30		DCEDRM
COCC#CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1	ZINC001599139734	998106739	/nfs/dbraw/zinc/10/67/39/998106739.db2.gz	XWYNFOIKVXDYFX-GFCCVEGCSA-N	-1	0	321.329	0.986	20	30		DCEDRM
COc1ccc(CN2[C@H](C(=O)[O-])CCS2(=O)=O)cc1C#N	ZINC001599559528	998163640	/nfs/dbraw/zinc/16/36/40/998163640.db2.gz	FWPYBGZJWQPOJX-NSHDSACASA-N	-1	0	310.331	0.556	20	30		DCEDRM
COCCOc1cc(C(=O)N(CC#N)CCC(=O)[O-])ccn1	ZINC001599254380	998287430	/nfs/dbraw/zinc/28/74/30/998287430.db2.gz	YXLMTVHLYCTYFW-UHFFFAOYSA-N	-1	0	307.306	0.547	20	30		DCEDRM
COc1ccc(CNS(=O)(=O)CCCC(=O)[O-])cc1C#N	ZINC001599573086	998397227	/nfs/dbraw/zinc/39/72/27/998397227.db2.gz	LGHVIPNVPZMTCA-UHFFFAOYSA-N	-1	0	312.347	0.851	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC001594141299	998442190	/nfs/dbraw/zinc/44/21/90/998442190.db2.gz	JHPVPETWUQIAFS-CABZTGNLSA-N	-1	0	301.302	0.818	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCCNc1ccc(C#N)cn1	ZINC001594150966	998525043	/nfs/dbraw/zinc/52/50/43/998525043.db2.gz	UWXTUNVVYVSJKO-CMPLNLGQSA-N	-1	0	317.349	0.870	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCCNc1ccc(C#N)cn1	ZINC001594150969	998526667	/nfs/dbraw/zinc/52/66/67/998526667.db2.gz	UWXTUNVVYVSJKO-PWSUYJOCSA-N	-1	0	317.349	0.870	20	30		DCEDRM
COC[C@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C(=O)[O-]	ZINC001599166823	998554942	/nfs/dbraw/zinc/55/49/42/998554942.db2.gz	HHDBGGQZPHGPFZ-KBPBESRZSA-N	-1	0	317.345	0.743	20	30		DCEDRM
COC(=O)c1cccc(CN2CCC[C@H](O)[C@H]2C(=O)[O-])c1C#N	ZINC001598996591	998785719	/nfs/dbraw/zinc/78/57/19/998785719.db2.gz	WEFFRZJYJNODAD-KBPBESRZSA-N	-1	0	318.329	0.755	20	30		DCEDRM
C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)C[C@@H](C)O1	ZINC001594471145	999703829	/nfs/dbraw/zinc/70/38/29/999703829.db2.gz	SGNFYRLQPKKAGK-NXEZZACHSA-N	-1	0	319.317	0.054	20	30		DCEDRM
CC(C)(F)CCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001470735676	1016488495	/nfs/dbraw/zinc/48/84/95/1016488495.db2.gz	BAZJVQAGQSUPIF-UHFFFAOYSA-N	-1	0	311.317	0.258	20	30		DCEDRM
CN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@H]1CCC[C@@H]1C#N	ZINC001471050567	1016515507	/nfs/dbraw/zinc/51/55/07/1016515507.db2.gz	MOIJTTIBFQJJDK-BXKDBHETSA-N	-1	0	323.374	0.804	20	30		DCEDRM
C[C@H](O)[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccc1F	ZINC001421168376	1003398797	/nfs/dbraw/zinc/39/87/97/1003398797.db2.gz	QGPIQZSDUANENO-UFBFGSQYSA-N	-1	0	318.308	0.618	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC001472518858	1016819067	/nfs/dbraw/zinc/81/90/67/1016819067.db2.gz	FSYURRUNSSFISE-UHFFFAOYSA-N	-1	0	301.306	0.753	20	30		DCEDRM
CCC(C)(C)N(C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001414308403	1005281915	/nfs/dbraw/zinc/28/19/15/1005281915.db2.gz	MSICRUXOYHSHAT-UHFFFAOYSA-N	-1	0	307.354	0.651	20	30		DCEDRM
CC1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)Cc2ccccc2C1	ZINC001417683915	1005867487	/nfs/dbraw/zinc/86/74/87/1005867487.db2.gz	SPVOLPQQQHMWOI-UHFFFAOYSA-N	-1	0	324.340	0.494	20	30		DCEDRM
CO[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC[C@H]1C	ZINC001417715987	1005874725	/nfs/dbraw/zinc/87/47/25/1005874725.db2.gz	DHYVMNKOIJHPRA-ZYHUDNBSSA-N	-1	0	320.349	0.094	20	30		DCEDRM
C[C@@H](Sc1nncn1C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001452525257	1006897662	/nfs/dbraw/zinc/89/76/62/1006897662.db2.gz	IFFJRMWRMYVGRF-ZCFIWIBFSA-N	-1	0	302.323	0.401	20	30		DCEDRM
Cc1nc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)sc1C	ZINC001433662698	1009037968	/nfs/dbraw/zinc/03/79/68/1009037968.db2.gz	HEXCKQSCAGEWLO-UHFFFAOYSA-N	-1	0	319.346	0.923	20	30		DCEDRM
CO[C@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)C	ZINC001433726106	1009124140	/nfs/dbraw/zinc/12/41/40/1009124140.db2.gz	QVVFMTMETKSSHM-LLVKDONJSA-N	-1	0	322.365	0.388	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCc2nccs2)c(=O)[n-]c1=O	ZINC001442645656	1009569865	/nfs/dbraw/zinc/56/98/65/1009569865.db2.gz	GUALMRFTZZPKDB-UHFFFAOYSA-N	-1	0	319.346	0.026	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001506440984	1017281529	/nfs/dbraw/zinc/28/15/29/1017281529.db2.gz	ACIWLOLKVAMIMR-INIZCTEOSA-N	-1	0	318.377	0.804	20	30		DCEDRM
Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1[n-]c(=O)c(C#N)cc1C)C2	ZINC001434248120	1009694840	/nfs/dbraw/zinc/69/48/40/1009694840.db2.gz	XQYVXFWJHCHNHD-UHFFFAOYSA-N	-1	0	311.301	0.927	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCOC[C@@H]2CCO)cc1C#N	ZINC001434406537	1009912774	/nfs/dbraw/zinc/91/27/74/1009912774.db2.gz	QIKFCXLDDLVBLM-JTQLQIEISA-N	-1	0	323.374	0.604	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H](C#N)C2CCCCC2)c(=O)[n-]c1=O	ZINC001444943149	1011230371	/nfs/dbraw/zinc/23/03/71/1011230371.db2.gz	GXJDQQZVZQTLRR-LBPRGKRZSA-N	-1	0	315.333	0.409	20	30		DCEDRM
N#C[C@]12CN(C(=O)c3c(O)cccc3O)C[C@H]1CS(=O)(=O)C2	ZINC001458023977	1012043401	/nfs/dbraw/zinc/04/34/01/1012043401.db2.gz	JWVDVLGRRCSHND-LKFCYVNXSA-N	-1	0	322.342	0.108	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001561718905	1012474949	/nfs/dbraw/zinc/47/49/49/1012474949.db2.gz	VVHOMHVLFQJSHL-VIFPVBQESA-N	-1	0	314.319	0.353	20	30		DCEDRM
C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001460331360	1012894867	/nfs/dbraw/zinc/89/48/67/1012894867.db2.gz	HROWCIVWTVGSIF-LPEHRKFASA-N	-1	0	314.349	0.404	20	30		DCEDRM
C#C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccc1	ZINC001461150942	1013011127	/nfs/dbraw/zinc/01/11/27/1013011127.db2.gz	XCDDTFXKPIBUIK-CYBMUJFWSA-N	-1	0	307.313	0.562	20	30		DCEDRM
Cn1[nH]cc2c(=NC(=O)NCc3nc(C#N)cs3)ccnc1-2	ZINC001476503389	1017200046	/nfs/dbraw/zinc/20/00/46/1017200046.db2.gz	PYSFYDVVAKWBIQ-UHFFFAOYSA-N	-1	0	313.346	0.992	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C1CC1	ZINC001493541696	1019502792	/nfs/dbraw/zinc/50/27/92/1019502792.db2.gz	VOOHPTZTXYOOIS-GFCCVEGCSA-N	-1	0	318.377	0.852	20	30		DCEDRM
CS(=O)(=O)[C@H]1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001607366465	1170438033	/nfs/dbraw/zinc/43/80/33/1170438033.db2.gz	GGIRMVHESCYXKH-STQMWFEESA-N	-1	0	308.359	0.803	20	30		DCEDRM
CC(=NNC1CCS(=O)(=O)CC1)c1cc(C(=O)[O-])co1	ZINC001609553240	1171019323	/nfs/dbraw/zinc/01/93/23/1171019323.db2.gz	RKQUIHDMVWAUNZ-UHFFFAOYSA-N	-1	0	300.336	0.869	20	30		DCEDRM
CCCCC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC001609967185	1171128318	/nfs/dbraw/zinc/12/83/18/1171128318.db2.gz	LWSAQQAUCQFOTK-WDEREUQCSA-N	-1	0	305.400	0.946	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000263082187	238184720	/nfs/dbraw/zinc/18/47/20/238184720.db2.gz	BLGQVDNJXJEXPS-MXWKQRLJSA-N	-1	0	303.384	0.365	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])cn1	ZINC000275320960	238305888	/nfs/dbraw/zinc/30/58/88/238305888.db2.gz	SGISZQVVPOJLLR-QMMMGPOBSA-N	-1	0	305.262	0.340	20	30		DCEDRM
C[C@@](C#N)(NC(=O)CN1CCC[C@H](c2n[n-]c(=O)o2)C1)C1CC1	ZINC000284419638	238399361	/nfs/dbraw/zinc/39/93/61/238399361.db2.gz	XVBDMWYAUCXOAL-BONVTDFDSA-N	-1	0	319.365	0.351	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(C#N)cc1	ZINC000420532899	240042740	/nfs/dbraw/zinc/04/27/40/240042740.db2.gz	QSDRWEVYWWJTOL-ZWNOBZJWSA-N	-1	0	315.329	0.669	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c1	ZINC000422693394	240179703	/nfs/dbraw/zinc/17/97/03/240179703.db2.gz	VVEMMSVMKDPPPZ-JTQLQIEISA-N	-1	0	303.318	0.984	20	30		DCEDRM
Cn1[n-]nnc1=NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000569169736	291464774	/nfs/dbraw/zinc/46/47/74/291464774.db2.gz	BINQNTVWZBBVKL-UHFFFAOYSA-N	-1	0	323.364	0.316	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)[O-]	ZINC000274988896	212060818	/nfs/dbraw/zinc/06/08/18/212060818.db2.gz	KLVLKYGTWHQPCQ-NSHDSACASA-N	-1	0	315.322	0.979	20	30		DCEDRM
COC(=O)[C@]1([N-]S(=O)(=O)Cc2ccc(C#N)cc2)CCOC1	ZINC000288438978	220142203	/nfs/dbraw/zinc/14/22/03/220142203.db2.gz	UGQQRYIZMYCPNH-AWEZNQCLSA-N	-1	0	324.358	0.310	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)cc1	ZINC000573578267	291642113	/nfs/dbraw/zinc/64/21/13/291642113.db2.gz	LLFYRSOHVJHODU-DGCLKSJQSA-N	-1	0	324.358	0.404	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2C#N)c(C)o1	ZINC000339033088	253023487	/nfs/dbraw/zinc/02/34/87/253023487.db2.gz	OLEWGYGVIVYPBO-UHFFFAOYSA-N	-1	0	324.318	0.781	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)cn1C	ZINC000351691758	254358965	/nfs/dbraw/zinc/35/89/65/254358965.db2.gz	IFVOWMZMWWVFGZ-UHFFFAOYSA-N	-1	0	323.334	0.516	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1C#N	ZINC000351696451	254359360	/nfs/dbraw/zinc/35/93/60/254359360.db2.gz	LQPVIYHHDDHNDS-UHFFFAOYSA-N	-1	0	319.346	0.798	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2nnc[nH]2)CCCC1	ZINC001647131568	1172693242	/nfs/dbraw/zinc/69/32/42/1172693242.db2.gz	LSLZKFJOCXCDEW-UHFFFAOYSA-N	-1	0	311.367	0.267	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)C1(C#N)CCCCC1	ZINC000277395183	533395541	/nfs/dbraw/zinc/39/55/41/533395541.db2.gz	GQLVMKIJYJZYOW-UHFFFAOYSA-N	-1	0	301.368	0.043	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000420588749	533540417	/nfs/dbraw/zinc/54/04/17/533540417.db2.gz	SPUOWGADZWWDLS-BFQNTYOBSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000263550951	533604901	/nfs/dbraw/zinc/60/49/01/533604901.db2.gz	KVZOPMNHHQVWPJ-PWSUYJOCSA-N	-1	0	311.363	0.881	20	30		DCEDRM
N#Cc1cc(Cl)ccc1S(=O)(=O)N(CCO)CC(=O)[O-]	ZINC000275380187	130311146	/nfs/dbraw/zinc/31/11/46/130311146.db2.gz	XIAFEGLGNXSWEG-UHFFFAOYSA-N	-1	0	318.738	0.279	20	30		DCEDRM
C[C@@H](NC(=O)c1cccs1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000026268421	395694319	/nfs/dbraw/zinc/69/43/19/395694319.db2.gz	PRBUCHMHEPBDEW-SSDOTTSWSA-N	-1	0	314.330	0.972	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000042279269	395743661	/nfs/dbraw/zinc/74/36/61/395743661.db2.gz	OMDYERQZHVXOAX-UHFFFAOYSA-N	-1	0	315.307	0.631	20	30		DCEDRM
COCCn1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)cn1	ZINC000273489361	395924523	/nfs/dbraw/zinc/92/45/23/395924523.db2.gz	SDAQRIQGAAIWGJ-UHFFFAOYSA-N	-1	0	310.339	0.234	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C#N)c(C)c1C(=O)[O-]	ZINC000273855866	395937654	/nfs/dbraw/zinc/93/76/54/395937654.db2.gz	YRADCFYYQNSUCJ-NSHDSACASA-N	-1	0	324.358	0.915	20	30		DCEDRM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]N1CCCNC1=O	ZINC000276705430	396022513	/nfs/dbraw/zinc/02/25/13/396022513.db2.gz	OGOUIMGUSNCSHO-UHFFFAOYSA-N	-1	0	314.754	0.820	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c(F)c1	ZINC000158048933	396064020	/nfs/dbraw/zinc/06/40/20/396064020.db2.gz	WJAWEMKBFQKOSH-UHFFFAOYSA-N	-1	0	323.309	0.180	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCOC[C@H]2CC(=O)[O-])cc1	ZINC000262107256	396099778	/nfs/dbraw/zinc/09/97/78/396099778.db2.gz	JJBZTFKLMJIBKX-GFCCVEGCSA-N	-1	0	304.302	0.639	20	30		DCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(C#N)c(C)n2)C1=O	ZINC000278677648	396138611	/nfs/dbraw/zinc/13/86/11/396138611.db2.gz	IPQQOHVLWKXBFB-AWEZNQCLSA-N	-1	0	301.306	0.627	20	30		DCEDRM
COCCS(=O)(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1	ZINC000177077527	396166347	/nfs/dbraw/zinc/16/63/47/396166347.db2.gz	JKLCWKYRMRWWSW-UHFFFAOYSA-N	-1	0	321.362	0.586	20	30		DCEDRM
N#Cc1ccc(CCNC(=O)C(=O)NCCCC(=O)[O-])cc1	ZINC000595275228	396576709	/nfs/dbraw/zinc/57/67/09/396576709.db2.gz	ABMHTWWUWQFCOH-UHFFFAOYSA-N	-1	0	303.318	0.198	20	30		DCEDRM
N#CC1CCC(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1	ZINC000595275806	396576942	/nfs/dbraw/zinc/57/69/42/396576942.db2.gz	JFEZGPCOSKBLFA-UHFFFAOYSA-N	-1	0	321.377	0.804	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000595992814	396704824	/nfs/dbraw/zinc/70/48/24/396704824.db2.gz	VHLZELURMLIJQJ-NSHDSACASA-N	-1	0	309.366	0.708	20	30		DCEDRM
N#Cc1cc(N(C#N)[C@@H]2CCN(CC(=O)[O-])C2=O)ccc1F	ZINC000596010971	396708221	/nfs/dbraw/zinc/70/82/21/396708221.db2.gz	CKLMAGXYYKICAT-GFCCVEGCSA-N	-1	0	302.265	0.670	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000629777027	396829670	/nfs/dbraw/zinc/82/96/70/396829670.db2.gz	ZVYACKRPUVJOGT-NEPJUHHUSA-N	-1	0	312.366	0.217	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2cnc(C)n2C)nn1CCC#N	ZINC000600652227	396905519	/nfs/dbraw/zinc/90/55/19/396905519.db2.gz	QAUMAOMQQXIRJM-UHFFFAOYSA-N	-1	0	308.367	0.948	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1	ZINC000591458004	396923415	/nfs/dbraw/zinc/92/34/15/396923415.db2.gz	SKYFPLBMPDSMKO-OAHLLOKOSA-N	-1	0	309.366	0.900	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000591457974	396923517	/nfs/dbraw/zinc/92/35/17/396923517.db2.gz	PGDVYTOSSUAQJB-UHFFFAOYSA-N	-1	0	323.736	0.761	20	30		DCEDRM
N#CCc1cccc2c1CCN([C@@H]1CCN(CC(=O)[O-])C1=O)C2	ZINC000600704851	396923766	/nfs/dbraw/zinc/92/37/66/396923766.db2.gz	QMUMFCBHPZWFRI-OAHLLOKOSA-N	-1	0	313.357	0.796	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC000597546965	397009264	/nfs/dbraw/zinc/00/92/64/397009264.db2.gz	HQFUEWUHSLFDEH-GFCCVEGCSA-N	-1	0	313.310	0.117	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	ZINC000630437973	397021057	/nfs/dbraw/zinc/02/10/57/397021057.db2.gz	KDQGLEHROJWCQI-JTQLQIEISA-N	-1	0	306.384	0.351	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000571645420	396973369	/nfs/dbraw/zinc/97/33/69/396973369.db2.gz	DMXFEZYKFPGJEU-OLZOCXBDSA-N	-1	0	311.359	0.936	20	30		DCEDRM
CCc1cccc(C)c1NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000571680545	396977974	/nfs/dbraw/zinc/97/79/74/396977974.db2.gz	YVMNYQJFUAKYAS-UHFFFAOYSA-N	-1	0	312.329	0.918	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1	ZINC000619462096	397134988	/nfs/dbraw/zinc/13/49/88/397134988.db2.gz	AWQIXUQSAGUZCL-UHFFFAOYSA-N	-1	0	319.346	0.235	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)c1=O	ZINC000573722903	397198946	/nfs/dbraw/zinc/19/89/46/397198946.db2.gz	KHPCHKSGAUBEPX-YPMHNXCESA-N	-1	0	316.361	0.589	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000364471242	397207253	/nfs/dbraw/zinc/20/72/53/397207253.db2.gz	YSGUDCCUOYVJHU-NSHDSACASA-N	-1	0	302.269	0.424	20	30		DCEDRM
CCSCC[C@H](C)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602106855	397302269	/nfs/dbraw/zinc/30/22/69/397302269.db2.gz	LQARVDGZBMYARP-JTQLQIEISA-N	-1	0	324.406	0.811	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CC(c3ccccc3)C2)c(=O)[n-]c1=O	ZINC000602196163	397340939	/nfs/dbraw/zinc/34/09/39/397340939.db2.gz	DSZCSSYYRSNZEO-UHFFFAOYSA-N	-1	0	324.340	0.837	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCCSCC(=O)[O-]	ZINC000593262211	397343939	/nfs/dbraw/zinc/34/39/39/397343939.db2.gz	KMQVFKZGJFJIBT-SECBINFHSA-N	-1	0	309.413	0.120	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC1([C@H](C)C(=O)[O-])CC1	ZINC000593273713	397347383	/nfs/dbraw/zinc/34/73/83/397347383.db2.gz	MJKHLUFEZNNDHY-VHSXEESVSA-N	-1	0	303.384	0.556	20	30		DCEDRM
N#Cc1cn(CC(=O)N2C[C@@H]3CCCC[C@@H]3C2)c(=O)[n-]c1=O	ZINC000602162021	397328283	/nfs/dbraw/zinc/32/82/83/397328283.db2.gz	ZZAPRCAQRMVCBH-PHIMTYICSA-N	-1	0	302.334	0.469	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)nn1	ZINC000578524908	397449303	/nfs/dbraw/zinc/44/93/03/397449303.db2.gz	IHAIGPKLPMDOMH-SNVBAGLBSA-N	-1	0	317.353	0.698	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000424605014	397400825	/nfs/dbraw/zinc/40/08/25/397400825.db2.gz	VRDKSUVTQAEJMU-CABZTGNLSA-N	-1	0	314.363	0.593	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCCCc1nc(C)no1)C(=O)[O-]	ZINC000578302053	397416775	/nfs/dbraw/zinc/41/67/75/397416775.db2.gz	FMXPYJLVVGVNMZ-SNVBAGLBSA-N	-1	0	312.326	0.266	20	30		DCEDRM
N#CCCCCS(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC000593944958	397485058	/nfs/dbraw/zinc/48/50/58/397485058.db2.gz	BZHXTTMAKFXBRM-LBPRGKRZSA-N	-1	0	311.363	0.691	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])c1c(C)nn(C)c1C	ZINC000578873059	397495469	/nfs/dbraw/zinc/49/54/69/397495469.db2.gz	KGVKCKFDXDSGIL-NSHDSACASA-N	-1	0	301.368	0.658	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000578991597	397510712	/nfs/dbraw/zinc/51/07/12/397510712.db2.gz	JCFRIQWVGQJZSU-SRVKXCTJSA-N	-1	0	317.411	0.946	20	30		DCEDRM
CCOC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CCC#N)C(C)C	ZINC000496142134	397575698	/nfs/dbraw/zinc/57/56/98/397575698.db2.gz	NABSVBSLGWRGDA-VIFPVBQESA-N	-1	0	305.356	0.117	20	30		DCEDRM
C[C@](CO)(CNS(=O)(=O)c1ccc(C#N)s1)CC(=O)[O-]	ZINC000579912133	397597459	/nfs/dbraw/zinc/59/74/59/397597459.db2.gz	GXTGEBOXCJWDEL-LLVKDONJSA-N	-1	0	318.376	0.371	20	30		DCEDRM
N#CC(=C([O-])c1cn(CC(N)=O)nn1)c1ccc2ccccc2n1	ZINC000608552815	397737783	/nfs/dbraw/zinc/73/77/83/397737783.db2.gz	QMSUMNGKDGEXJD-NSHDSACASA-N	-1	0	320.312	0.802	20	30		DCEDRM
C[C@@](O)(CNS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126080409	158262036	/nfs/dbraw/zinc/26/20/36/158262036.db2.gz	KIHSGSKHLHYWRQ-LLVKDONJSA-N	-1	0	318.738	0.326	20	30		DCEDRM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000314884167	159000051	/nfs/dbraw/zinc/00/00/51/159000051.db2.gz	KXTSMRXOUOJNMW-UHFFFAOYSA-N	-1	0	321.318	0.654	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000408480542	160117967	/nfs/dbraw/zinc/11/79/67/160117967.db2.gz	DCGSVPMMXSSZRS-NSHDSACASA-N	-1	0	311.363	0.824	20	30		DCEDRM
C=C[C@H](CO)NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000292594914	415844307	/nfs/dbraw/zinc/84/43/07/415844307.db2.gz	HMPRCVFWFHAMIP-SECBINFHSA-N	-1	0	302.327	0.474	20	30		DCEDRM
CC(C)O[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000295446917	415894370	/nfs/dbraw/zinc/89/43/70/415894370.db2.gz	AQRXXYZIDGDKSZ-JTQLQIEISA-N	-1	0	311.363	0.681	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H](C(N)=O)C(C)C)cc1C#N	ZINC000337380921	415953861	/nfs/dbraw/zinc/95/38/61/415953861.db2.gz	AQZJNWHMWBBEQV-VIFPVBQESA-N	-1	0	308.363	0.620	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)n2ncnc2n1	ZINC000357404696	416074081	/nfs/dbraw/zinc/07/40/81/416074081.db2.gz	XYYIZMPSILMBDD-UHFFFAOYSA-N	-1	0	315.318	0.500	20	30		DCEDRM
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)[O-])c1	ZINC000340185011	416179002	/nfs/dbraw/zinc/17/90/02/416179002.db2.gz	QXIUGEBIRKBPBI-UHFFFAOYSA-N	-1	0	312.347	0.308	20	30		DCEDRM
CS(=O)(=O)N1CCC(CNC(=O)N=c2cn[n-]s2)CC1	ZINC000330268956	416199565	/nfs/dbraw/zinc/19/95/65/416199565.db2.gz	ROHFDUOQNUCTAL-UHFFFAOYSA-N	-1	0	319.412	0.536	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C#N)C(C)C	ZINC000488441716	416562080	/nfs/dbraw/zinc/56/20/80/416562080.db2.gz	DJCLOOMMROMWSL-SSDOTTSWSA-N	-1	0	303.365	0.756	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000491556896	416604940	/nfs/dbraw/zinc/60/49/40/416604940.db2.gz	ZMDKTYGGFOCUOC-JTQLQIEISA-N	-1	0	302.286	0.184	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000491015160	416582815	/nfs/dbraw/zinc/58/28/15/416582815.db2.gz	WKTDAGXRBMYSOM-UHFFFAOYSA-N	-1	0	307.327	0.407	20	30		DCEDRM
C#CCN(CC#CC)S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC000491753459	416623421	/nfs/dbraw/zinc/62/34/21/416623421.db2.gz	ZECHWRVBEKBFON-UHFFFAOYSA-N	-1	0	306.343	0.735	20	30		DCEDRM
C#CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1CCCCC1	ZINC000491767207	416624983	/nfs/dbraw/zinc/62/49/83/416624983.db2.gz	IBLUMNCTEUSQLS-LBPRGKRZSA-N	-1	0	308.378	0.960	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](CC1CCC1)C(=O)[O-]	ZINC000563226040	416876618	/nfs/dbraw/zinc/87/66/18/416876618.db2.gz	LGLVSECARHBVJA-GXSJLCMTSA-N	-1	0	303.384	0.698	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])CC1	ZINC000566770318	417051871	/nfs/dbraw/zinc/05/18/71/417051871.db2.gz	QUXDEMAMDXLCSQ-LURJTMIESA-N	-1	0	300.258	0.615	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000616504874	417065170	/nfs/dbraw/zinc/06/51/70/417065170.db2.gz	BAHVHQYDZVARDI-LBPRGKRZSA-N	-1	0	301.302	0.534	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000627631428	417475151	/nfs/dbraw/zinc/47/51/51/417475151.db2.gz	SKCUIADLDAZTMZ-MNOVXSKESA-N	-1	0	311.363	0.526	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N1CC([C@@H](C)C(=O)[O-])C1	ZINC000530530624	417582095	/nfs/dbraw/zinc/58/20/95/417582095.db2.gz	ACEOQCGPBQNULF-SECBINFHSA-N	-1	0	324.358	0.908	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000576231549	417592504	/nfs/dbraw/zinc/59/25/04/417592504.db2.gz	LDGWKPNJCGMWTI-NQBHXWOUSA-N	-1	0	315.395	0.509	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-]	ZINC000576469700	417611334	/nfs/dbraw/zinc/61/13/34/417611334.db2.gz	RAQAXUOZHLEYPF-IJLUTSLNSA-N	-1	0	317.411	0.898	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000647589113	418029003	/nfs/dbraw/zinc/02/90/03/418029003.db2.gz	YBVHTNPOFMKVAV-LOWDOPEQSA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000659067855	418053588	/nfs/dbraw/zinc/05/35/88/418053588.db2.gz	QHUOTADQPNXOQL-UHFFFAOYSA-N	-1	0	320.345	0.961	20	30		DCEDRM
C=CCC[C@H](NC(=O)CC1(n2cnnn2)CCOCC1)C(=O)[O-]	ZINC000659153269	418066777	/nfs/dbraw/zinc/06/67/77/418066777.db2.gz	HHKRVSTVHUFRDD-NSHDSACASA-N	-1	0	323.353	0.105	20	30		DCEDRM
C=CCn1cc(C(=O)NCCc2nc(C(=O)[O-])cs2)nn1	ZINC000649250941	418215181	/nfs/dbraw/zinc/21/51/81/418215181.db2.gz	CWIRGGLEPWZNHH-UHFFFAOYSA-N	-1	0	307.335	0.591	20	30		DCEDRM
C=CCNC(=O)CN1CCN(c2ccnc(C(=O)[O-])c2)CC1	ZINC000650766152	418323137	/nfs/dbraw/zinc/32/31/37/418323137.db2.gz	WDAYILJSDNCSGG-UHFFFAOYSA-N	-1	0	304.350	0.204	20	30		DCEDRM
CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n1	ZINC000427788365	262570236	/nfs/dbraw/zinc/57/02/36/262570236.db2.gz	YCHAEANGPMAGLT-UHFFFAOYSA-N	-1	0	310.314	0.682	20	30		DCEDRM
CCS[C@H](C)c1noc(Cn2c(=O)[n-]cc(C#N)c2=O)n1	ZINC000517566145	267182026	/nfs/dbraw/zinc/18/20/26/267182026.db2.gz	OJULHSXDBXETCX-SSDOTTSWSA-N	-1	0	307.335	0.654	20	30		DCEDRM
Cc1cc(C)n2nc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)nc2n1	ZINC000355048947	267322484	/nfs/dbraw/zinc/32/24/84/267322484.db2.gz	LHRGFOQENSVMRA-UHFFFAOYSA-N	-1	0	307.277	0.460	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000548542029	288152502	/nfs/dbraw/zinc/15/25/02/288152502.db2.gz	JUBBEOYEVFHJTB-LLVKDONJSA-N	-1	0	316.310	0.216	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000290631010	297875965	/nfs/dbraw/zinc/87/59/65/297875965.db2.gz	LFQAYUGRVJLILN-ZDUSSCGKSA-N	-1	0	309.347	0.971	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])s1	ZINC000230326055	303197853	/nfs/dbraw/zinc/19/78/53/303197853.db2.gz	QJPSKPBDAFYVAV-QMMMGPOBSA-N	-1	0	316.360	0.484	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)CCCCC(=O)[O-]	ZINC000573854509	332284291	/nfs/dbraw/zinc/28/42/91/332284291.db2.gz	SRCWWJUZPDTQAC-QWRGUYRKSA-N	-1	0	305.400	0.946	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC([C@H](C)C(=O)[O-])C1	ZINC000578446490	332385095	/nfs/dbraw/zinc/38/50/95/332385095.db2.gz	SPATXYVPAGHHRP-ZJUUUORDSA-N	-1	0	303.384	0.365	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(C)(C)[C@H]1C(=O)[O-]	ZINC000574576728	332395023	/nfs/dbraw/zinc/39/50/23/332395023.db2.gz	QMNKAJSYRZSRNG-VHSXEESVSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCCCO[C@@H]1CCOC1)C(=O)[O-]	ZINC000562974009	333000251	/nfs/dbraw/zinc/00/02/51/333000251.db2.gz	GHIVYAZYMKFWOY-NEPJUHHUSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCCCO[C@H]1CCOC1)C(=O)[O-]	ZINC000562974011	333000305	/nfs/dbraw/zinc/00/03/05/333000305.db2.gz	GHIVYAZYMKFWOY-RYUDHWBXSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)C1CCCC1	ZINC000491484075	333107830	/nfs/dbraw/zinc/10/78/30/333107830.db2.gz	HBAKOARCUMBKSH-MRXNPFEDSA-N	-1	0	306.362	0.714	20	30		DCEDRM
CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)CCCC#N	ZINC000497205113	333221919	/nfs/dbraw/zinc/22/19/19/333221919.db2.gz	TYBSNMCWEJBGPO-UHFFFAOYSA-N	-1	0	319.383	0.651	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)[N-]CC(F)(F)F	ZINC000443226208	338448160	/nfs/dbraw/zinc/44/81/60/338448160.db2.gz	QCJLWQUVPUTUCX-DTWKUNHWSA-N	-1	0	302.318	0.954	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1	ZINC000582941194	337220224	/nfs/dbraw/zinc/22/02/24/337220224.db2.gz	RFEIIFPALCOQOO-YPMHNXCESA-N	-1	0	303.380	0.706	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000564089734	337453390	/nfs/dbraw/zinc/45/33/90/337453390.db2.gz	QBGITNIJGMXXMR-BQBZGAKWSA-N	-1	0	317.289	0.318	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCCc1c(C)noc1C)C(=O)[O-]	ZINC000572463663	337663156	/nfs/dbraw/zinc/66/31/56/337663156.db2.gz	QMBGGSSQFZNBMH-LBPRGKRZSA-N	-1	0	311.338	0.789	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000422938130	337692590	/nfs/dbraw/zinc/69/25/90/337692590.db2.gz	PKQOWJPBUPYACY-JRPNMDOOSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@@H](CC#N)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000436749455	338285364	/nfs/dbraw/zinc/28/53/64/338285364.db2.gz	AYGNPGFCNYNXQK-VIFPVBQESA-N	-1	0	311.363	0.674	20	30		DCEDRM
CN(CCC(=O)[N-]S(=O)(=O)CCC#N)C(=O)OC(C)(C)C	ZINC000497094245	340020141	/nfs/dbraw/zinc/02/01/41/340020141.db2.gz	XPTMEYAHTAOZPD-UHFFFAOYSA-N	-1	0	319.383	0.603	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc2c(c1)COC2)C(=O)[O-]	ZINC000542858805	341023822	/nfs/dbraw/zinc/02/38/22/341023822.db2.gz	IOBMMQWQJQLNOA-ZDUSSCGKSA-N	-1	0	309.343	0.862	20	30		DCEDRM
C=CCn1cc(CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)nn1	ZINC000564321351	341214779	/nfs/dbraw/zinc/21/47/79/341214779.db2.gz	IKLKOCGUXRBRMS-LLVKDONJSA-N	-1	0	307.354	0.860	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])CCCCC1	ZINC000547924353	341239193	/nfs/dbraw/zinc/23/91/93/341239193.db2.gz	YPUKFVZAOMWBMT-LLVKDONJSA-N	-1	0	316.379	0.576	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC000564731647	341507975	/nfs/dbraw/zinc/50/79/75/341507975.db2.gz	NMYMBJYUZCXLTI-GMTAPVOTSA-N	-1	0	303.384	0.508	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-]	ZINC000565057422	341516134	/nfs/dbraw/zinc/51/61/34/341516134.db2.gz	GISZQAGVQLSEBZ-KXUCPTDWSA-N	-1	0	321.424	0.561	20	30		DCEDRM
CC[C@@H](CCC(=O)[O-])NS(=O)(=O)N(CCC#N)CCOC	ZINC000567740174	341630820	/nfs/dbraw/zinc/63/08/20/341630820.db2.gz	OXHLKCAJYSDEQJ-NSHDSACASA-N	-1	0	321.399	0.326	20	30		DCEDRM
CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000573450048	341728792	/nfs/dbraw/zinc/72/87/92/341728792.db2.gz	XUMZRFLIYQBABP-QWRGUYRKSA-N	-1	0	305.400	0.754	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)N[C@H](CF)C(=O)[O-])c1	ZINC001601102427	1159780237	/nfs/dbraw/zinc/78/02/37/1159780237.db2.gz	CGURDTIQZFETTO-SNVBAGLBSA-N	-1	0	304.274	0.539	20	30		DCEDRM
CC1=C(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C(=O)OC1(C)C	ZINC001604606816	1159789762	/nfs/dbraw/zinc/78/97/62/1159789762.db2.gz	AAHGZBZAUKMXCL-UHFFFAOYSA-N	-1	0	306.318	0.855	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000420588750	534315900	/nfs/dbraw/zinc/31/59/00/534315900.db2.gz	SPUOWGADZWWDLS-MKBNYLNASA-N	-1	0	324.377	0.407	20	30		DCEDRM
Cc1ccc2ncc(/C([O-])=N/C[C@H]3COCCO3)c(=O)n2c1	ZINC000328804294	534509652	/nfs/dbraw/zinc/50/96/52/534509652.db2.gz	BSNIZDRZLWJMFQ-NSHDSACASA-N	-1	0	303.318	0.723	20	30		DCEDRM
C[C@H](O)[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000160684308	525829709	/nfs/dbraw/zinc/82/97/09/525829709.db2.gz	NAFRCCHGPSZAPJ-QUBYGPBYSA-N	-1	0	318.738	0.324	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@H](N(CC(=O)[O-])C(C)=O)CC1	ZINC000262876970	526693912	/nfs/dbraw/zinc/69/39/12/526693912.db2.gz	DWBQILXSJQDONG-ZDUSSCGKSA-N	-1	0	312.366	0.503	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cn1ncc2ccccc21)C(=O)[O-]	ZINC000262998911	526787265	/nfs/dbraw/zinc/78/72/65/526787265.db2.gz	MDPLKYJGBQNTPF-GFCCVEGCSA-N	-1	0	303.318	0.808	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)OC	ZINC000360723755	526807443	/nfs/dbraw/zinc/80/74/43/526807443.db2.gz	WHXMHSQSKPBANX-LBPRGKRZSA-N	-1	0	324.289	0.774	20	30		DCEDRM
C=CCc1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc(OC)c1OC	ZINC000262502155	527233897	/nfs/dbraw/zinc/23/38/97/527233897.db2.gz	KSXHWCAIPPCRSU-MRXNPFEDSA-N	-1	0	323.345	0.998	20	30		DCEDRM
O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000330103393	546056435	/nfs/dbraw/zinc/05/64/35/546056435.db2.gz	IRDDLKBMROUGCR-SNVBAGLBSA-N	-1	0	322.369	0.895	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)nn1	ZINC000668305558	546724368	/nfs/dbraw/zinc/72/43/68/546724368.db2.gz	PZCXTOVODXOPJP-GFCCVEGCSA-N	-1	0	308.338	0.464	20	30		DCEDRM
N#CCN1CCC(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1	ZINC000819091230	597061517	/nfs/dbraw/zinc/06/15/17/597061517.db2.gz	VABCKEDPVPOKHC-GFCCVEGCSA-N	-1	0	308.382	0.871	20	30		DCEDRM
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C(=O)[O-]	ZINC000818019162	597322786	/nfs/dbraw/zinc/32/27/86/597322786.db2.gz	YJPHAXDTIZJLCA-ZETCQYMHSA-N	-1	0	309.253	0.256	20	30		DCEDRM
CN1c2ccccc2N(C)C1=C1C(=N)N(CC(=O)[O-])CC1=O	ZINC000820614702	597382591	/nfs/dbraw/zinc/38/25/91/597382591.db2.gz	LRGKZYIEKVWQLP-UHFFFAOYSA-N	-1	0	300.318	0.731	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)O[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000819865059	597622860	/nfs/dbraw/zinc/62/28/60/597622860.db2.gz	GPCJPQRQICUILI-HQJQHLMTSA-N	-1	0	322.239	0.697	20	30		DCEDRM
CN(CC(=O)NCc1ccco1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820562362	597629014	/nfs/dbraw/zinc/62/90/14/597629014.db2.gz	HOQJWOJCHAJFAT-AWEZNQCLSA-N	-1	0	307.306	0.359	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1cn2c(n1)CCCC2	ZINC000819842762	597631563	/nfs/dbraw/zinc/63/15/63/597631563.db2.gz	SJSKCWDYSLJJDO-HNNXBMFYSA-N	-1	0	304.350	0.883	20	30		DCEDRM
COc1cccc([C@@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000820865402	597646459	/nfs/dbraw/zinc/64/64/59/597646459.db2.gz	NJCJSJRCYOEEQE-SWLSCSKDSA-N	-1	0	306.318	0.849	20	30		DCEDRM
CN(C)c1ncc(CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC000820607742	597665098	/nfs/dbraw/zinc/66/50/98/597665098.db2.gz	SLKUUTFSYRPQFX-AWEZNQCLSA-N	-1	0	305.338	0.506	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CN(c2ccc(F)cc2)C1=O	ZINC000819834814	597726056	/nfs/dbraw/zinc/72/60/56/597726056.db2.gz	PIGTXOXYJCXADB-ABAIWWIYSA-N	-1	0	319.292	0.662	20	30		DCEDRM
CC(=NNCCC(=O)[O-])c1ccc(OCC(=O)N(C)C)cc1	ZINC000819726853	597743179	/nfs/dbraw/zinc/74/31/79/597743179.db2.gz	URAYIFXYSFJUAG-UHFFFAOYSA-N	-1	0	307.350	0.942	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)cc1	ZINC000822693792	607323694	/nfs/dbraw/zinc/32/36/94/607323694.db2.gz	KGNOAEFAFRGFTR-LLVKDONJSA-N	-1	0	321.300	0.806	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2ncccn2)CC1	ZINC000819822031	598221718	/nfs/dbraw/zinc/22/17/18/598221718.db2.gz	LLQDJRNJMHTHRL-AWEZNQCLSA-N	-1	0	303.322	0.130	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1COc2ccccc2O1	ZINC000819833737	598222041	/nfs/dbraw/zinc/22/20/41/598222041.db2.gz	IXOAONJQRJSCET-BONVTDFDSA-N	-1	0	304.302	0.947	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCNC(=O)c1ccccc1	ZINC000819842824	598223092	/nfs/dbraw/zinc/22/30/92/598223092.db2.gz	VELACNJJUQRWGJ-HNNXBMFYSA-N	-1	0	303.318	0.537	20	30		DCEDRM
Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1-n1cnnn1	ZINC000821008803	598223481	/nfs/dbraw/zinc/22/34/81/598223481.db2.gz	MNWXDISAKNYQOH-CQSZACIVSA-N	-1	0	314.305	0.914	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(N2CCNC2=O)CC1	ZINC000819811481	598224593	/nfs/dbraw/zinc/22/45/93/598224593.db2.gz	POKWFPVPNZQBKN-CQSZACIVSA-N	-1	0	308.338	0.007	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCC(=O)NC1CCCCC1	ZINC000819835752	598224947	/nfs/dbraw/zinc/22/49/47/598224947.db2.gz	XMXHQMSSXDLRFT-OAHLLOKOSA-N	-1	0	309.366	0.946	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nnnn1-c1ccccc1	ZINC000819847700	598226966	/nfs/dbraw/zinc/22/69/66/598226966.db2.gz	OBHPNRTVHZJKJK-CQSZACIVSA-N	-1	0	314.305	0.283	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccnc(-n2ccnc2)c1	ZINC000819848230	598227255	/nfs/dbraw/zinc/22/72/55/598227255.db2.gz	RLZVUKFGRUFMCK-HNNXBMFYSA-N	-1	0	313.317	0.888	20	30		DCEDRM
CO[C@H](C)c1noc(CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000820696295	598229549	/nfs/dbraw/zinc/22/95/49/598229549.db2.gz	BOAAJAXYBTZIDM-AMIZOPFISA-N	-1	0	310.310	0.740	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000819824480	598230429	/nfs/dbraw/zinc/23/04/29/598230429.db2.gz	YHOPYQWNGGOGOU-BLLLJJGKSA-N	-1	0	321.377	0.898	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC#N	ZINC000737679732	599770634	/nfs/dbraw/zinc/77/06/34/599770634.db2.gz	ASDXOAAEXCACHW-SECBINFHSA-N	-1	0	319.317	0.954	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC000736090162	599882483	/nfs/dbraw/zinc/88/24/83/599882483.db2.gz	WGEWRSRBCWZTDS-NSHDSACASA-N	-1	0	316.313	0.570	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)NCCSCC(=O)[O-])cc1	ZINC000739102379	599903385	/nfs/dbraw/zinc/90/33/85/599903385.db2.gz	WFWKHGSHHXDMDE-UHFFFAOYSA-N	-1	0	321.358	0.222	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C#N)C1	ZINC000093932742	599980962	/nfs/dbraw/zinc/98/09/62/599980962.db2.gz	UWOFBNYNCKMSSB-LLVKDONJSA-N	-1	0	310.331	0.606	20	30		DCEDRM
C=CCNC(=S)NN=Cc1c(C)nn(CCC(=O)[O-])c1C	ZINC000736105642	600003213	/nfs/dbraw/zinc/00/32/13/600003213.db2.gz	CAGWTNNHEJJXKL-UHFFFAOYSA-N	-1	0	309.395	0.959	20	30		DCEDRM
N#CCc1ccc(OC[C@@H](O)CN2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000738425128	600004850	/nfs/dbraw/zinc/00/48/50/600004850.db2.gz	BARIFMAVMSMTOX-DZGCQCFKSA-N	-1	0	320.345	0.278	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c1	ZINC000739142330	600107712	/nfs/dbraw/zinc/10/77/12/600107712.db2.gz	KLJOZDHMXMJGEX-NWDGAFQWSA-N	-1	0	300.318	0.323	20	30		DCEDRM
N#Cc1cccc(CNC(=O)COC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1	ZINC000739133835	600167302	/nfs/dbraw/zinc/16/73/02/600167302.db2.gz	PWOBNQJJISTHRK-VXGBXAGGSA-N	-1	0	302.286	0.438	20	30		DCEDRM
C[C@H](OC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)NC1(C#N)CCCCC1	ZINC000736686166	600173798	/nfs/dbraw/zinc/17/37/98/600173798.db2.gz	RBAXDFWASNSRQS-AXFHLTTASA-N	-1	0	308.334	0.981	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NCc2cccc(OCC(=O)[O-])c2)CCO1	ZINC000739068889	600189347	/nfs/dbraw/zinc/18/93/47/600189347.db2.gz	IIASASDIJAJINM-CYBMUJFWSA-N	-1	0	319.317	0.584	20	30		DCEDRM
C[C@H]1Oc2ccccc2N(CC(=O)N(CC#N)CC(=O)[O-])C1=O	ZINC000736833566	600401012	/nfs/dbraw/zinc/40/10/12/600401012.db2.gz	GNKBVDDIMWFWLE-SNVBAGLBSA-N	-1	0	317.301	0.237	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@H](NC(N)=O)c1ccccc1	ZINC000739077178	600401943	/nfs/dbraw/zinc/40/19/43/600401943.db2.gz	JVXNIKNDDNKDET-NSHDSACASA-N	-1	0	304.306	0.223	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CNC(=O)c1cccc(Cl)c1	ZINC000739078365	600402889	/nfs/dbraw/zinc/40/28/89/600402889.db2.gz	FVRMGNVGXGTIMS-UHFFFAOYSA-N	-1	0	309.709	0.507	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)Nc1nnc(CCCC(=O)[O-])s1	ZINC000736078987	600554094	/nfs/dbraw/zinc/55/40/94/600554094.db2.gz	FAIBQERMACGLFH-JTQLQIEISA-N	-1	0	322.390	0.982	20	30		DCEDRM
Cn1nc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1=O	ZINC000739050088	600612187	/nfs/dbraw/zinc/61/21/87/600612187.db2.gz	LFKLIWLLOKJOTP-ZDUSSCGKSA-N	-1	0	313.269	0.635	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000736087168	600656699	/nfs/dbraw/zinc/65/66/99/600656699.db2.gz	CVBUQHLMCFUYRY-UHFFFAOYSA-N	-1	0	306.343	0.806	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCN(CC#N)CC2)ccc1C(=O)[O-]	ZINC000832903183	600733408	/nfs/dbraw/zinc/73/34/08/600733408.db2.gz	PTNUVPLWKARHJM-UHFFFAOYSA-N	-1	0	323.374	0.523	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)N[C@@H]1CCOc2ccccc21	ZINC000833065668	601003294	/nfs/dbraw/zinc/00/32/94/601003294.db2.gz	FFRUMFILLZAUNY-GFCCVEGCSA-N	-1	0	303.318	0.537	20	30		DCEDRM
Cc1ccc(NC(=O)NC(=O)CN(CC#N)CC(=O)[O-])c(C)c1	ZINC000832945224	601004269	/nfs/dbraw/zinc/00/42/69/601004269.db2.gz	DXWBVQOJJRGQPS-UHFFFAOYSA-N	-1	0	318.333	0.862	20	30		DCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000833067126	601006825	/nfs/dbraw/zinc/00/68/25/601006825.db2.gz	PSUVFGHQTKSZJG-LLVKDONJSA-N	-1	0	309.278	0.245	20	30		DCEDRM
Cc1nc(NC(=O)CNC(=O)[O-])n(-c2ccc(C#N)cc2)n1	ZINC000738865872	601021393	/nfs/dbraw/zinc/02/13/93/601021393.db2.gz	IHOCMHOIGLSUIB-UHFFFAOYSA-N	-1	0	300.278	0.075	20	30		DCEDRM
CC(=O)c1cccc(OC[C@@H](O)CN(CC#N)CC(=O)[O-])c1	ZINC000825964393	601242027	/nfs/dbraw/zinc/24/20/27/601242027.db2.gz	POYRHUCDTIHYGN-ZDUSSCGKSA-N	-1	0	306.318	0.539	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)[C@H]2CCC(=O)NC2)C(=O)[O-])c1	ZINC000833075335	601349664	/nfs/dbraw/zinc/34/96/64/601349664.db2.gz	KGZYBAUJYHIFEH-AAEUAGOBSA-N	-1	0	302.286	0.753	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)[C@H]2CCC(=O)NC2)C(=O)[O-])c1	ZINC000833075337	601349693	/nfs/dbraw/zinc/34/96/93/601349693.db2.gz	KGZYBAUJYHIFEH-WCQYABFASA-N	-1	0	302.286	0.753	20	30		DCEDRM
CCS(=O)(=O)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000830126264	601349949	/nfs/dbraw/zinc/34/99/49/601349949.db2.gz	MVZNADCHOJNUJC-LBPRGKRZSA-N	-1	0	311.315	0.662	20	30		DCEDRM
N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)NCC(=O)[O-]	ZINC000821320006	601429378	/nfs/dbraw/zinc/42/93/78/601429378.db2.gz	FQVWMBOMCBNFJP-ZIAGYGMSSA-N	-1	0	301.346	0.959	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)COC(=O)c1cc(C#N)c[nH]1)C(=O)[O-]	ZINC000826793134	601430575	/nfs/dbraw/zinc/43/05/75/601430575.db2.gz	LCKOKQBNTNIWOR-SNVBAGLBSA-N	-1	0	307.306	0.659	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1	ZINC000833071547	601563854	/nfs/dbraw/zinc/56/38/54/601563854.db2.gz	IZGOQDOMJNQAJY-ZDUSSCGKSA-N	-1	0	315.329	0.658	20	30		DCEDRM
COC(=O)c1cc(NCC(=O)NCCC#N)cc(C(=O)[O-])c1	ZINC000831322445	601597712	/nfs/dbraw/zinc/59/77/12/601597712.db2.gz	GCZYNNYRXZCUGO-UHFFFAOYSA-N	-1	0	305.290	0.613	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CC1	ZINC000823456103	602772693	/nfs/dbraw/zinc/77/26/93/602772693.db2.gz	JZVUEDJPWMKMLW-ZDUSSCGKSA-N	-1	0	321.377	0.507	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)[C@@H]2COCCN2C(=O)[O-])c1	ZINC000831132069	603021287	/nfs/dbraw/zinc/02/12/87/603021287.db2.gz	LOYIFWUIYQFSCB-LBPRGKRZSA-N	-1	0	307.281	0.692	20	30		DCEDRM
COC(=O)[C@H](OC(=O)CCNC(=O)[O-])c1ccc(C#N)cc1	ZINC000737575978	603111365	/nfs/dbraw/zinc/11/13/65/603111365.db2.gz	CZQOUCNMLQLXON-GFCCVEGCSA-N	-1	0	306.274	0.973	20	30		DCEDRM
C[C@@H](CC(=O)N1CCN(c2ncccc2C#N)CC1)NC(=O)[O-]	ZINC000824598407	603264120	/nfs/dbraw/zinc/26/41/20/603264120.db2.gz	CSEYLFQNOBJJNN-NSHDSACASA-N	-1	0	317.349	0.648	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)CCO1	ZINC000738423660	603412519	/nfs/dbraw/zinc/41/25/19/603412519.db2.gz	UKMLTTMHSSOPJL-NSHDSACASA-N	-1	0	318.289	0.466	20	30		DCEDRM
CN(CC#N)CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O	ZINC000828086000	603597918	/nfs/dbraw/zinc/59/79/18/603597918.db2.gz	NBMOGONHUAJDAH-QMTHXVAHSA-N	-1	0	323.353	0.148	20	30		DCEDRM
CC(C)(CNC(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC000823972575	603747181	/nfs/dbraw/zinc/74/71/81/603747181.db2.gz	CMPSVKZCOUJBJF-AWEZNQCLSA-N	-1	0	311.338	0.632	20	30		DCEDRM
C#CCOc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000823466428	603771392	/nfs/dbraw/zinc/77/13/92/603771392.db2.gz	ABMAEUATBDPHLN-DGCLKSJQSA-N	-1	0	304.302	0.750	20	30		DCEDRM
C=C[C@H](C)NC(=O)C(=O)Nc1cccc(OCCNC(=O)[O-])c1	ZINC000823485315	603778179	/nfs/dbraw/zinc/77/81/79/603778179.db2.gz	DIZJLEDFRBWJMG-JTQLQIEISA-N	-1	0	321.333	0.962	20	30		DCEDRM
N#Cc1ccc(-c2nnc(COC(=O)CNC(=O)[O-])o2)cc1	ZINC000831122656	603785967	/nfs/dbraw/zinc/78/59/67/603785967.db2.gz	NMXZOQPEMWYHSO-UHFFFAOYSA-N	-1	0	302.246	0.919	20	30		DCEDRM
CN(C(=O)[O-])[C@@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1	ZINC000827881170	603814758	/nfs/dbraw/zinc/81/47/58/603814758.db2.gz	AAONRLQIWISHGJ-CQSZACIVSA-N	-1	0	316.361	0.859	20	30		DCEDRM
C=CCN(CC=C)C(=O)COC(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000823501130	603903442	/nfs/dbraw/zinc/90/34/42/603903442.db2.gz	RBIVLGNKWVWIBM-LLVKDONJSA-N	-1	0	312.322	0.109	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCCc2n[nH]cc21	ZINC000831076401	604000229	/nfs/dbraw/zinc/00/02/29/604000229.db2.gz	LWSLORKSUJNWEE-UWVGGRQHSA-N	-1	0	303.322	0.544	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000831086941	604066728	/nfs/dbraw/zinc/06/67/28/604066728.db2.gz	HRNCIUXZAJYULV-SSDOTTSWSA-N	-1	0	310.291	0.984	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CNC(=O)CC1CCCC1	ZINC000831082721	604071263	/nfs/dbraw/zinc/07/12/63/604071263.db2.gz	PGGHYMIGDDPJMY-GFCCVEGCSA-N	-1	0	322.365	0.397	20	30		DCEDRM
Cc1nc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c2ccccn12	ZINC000830705167	604074685	/nfs/dbraw/zinc/07/46/85/604074685.db2.gz	XQRYDIKADAUVTL-LLVKDONJSA-N	-1	0	313.317	0.971	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1ccc2c(c1)OCO2	ZINC000831082961	604075196	/nfs/dbraw/zinc/07/51/96/604075196.db2.gz	TZLLFRREPANBTG-NSHDSACASA-N	-1	0	317.301	0.672	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000831137056	604076933	/nfs/dbraw/zinc/07/69/33/604076933.db2.gz	QEAYGRDPYPUYOX-CYBMUJFWSA-N	-1	0	313.317	0.685	20	30		DCEDRM
CC(C)c1nnc(CCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)o1	ZINC000824503914	604079460	/nfs/dbraw/zinc/07/94/60/604079460.db2.gz	RWIPZCQRTIEYSI-JTQLQIEISA-N	-1	0	321.337	0.840	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCNC(=O)c1ccco1	ZINC000831081897	604084063	/nfs/dbraw/zinc/08/40/63/604084063.db2.gz	CRMDPMQUKYMVSP-JTQLQIEISA-N	-1	0	320.305	0.114	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCOC1CCOCC1	ZINC000831081957	604088584	/nfs/dbraw/zinc/08/85/84/604088584.db2.gz	FAODMTMUHLIQBC-LLVKDONJSA-N	-1	0	311.338	0.286	20	30		DCEDRM
N#CC1(NC(=O)COC(=O)CC2CN(C(=O)[O-])C2)CCCCC1	ZINC000831070324	604098297	/nfs/dbraw/zinc/09/82/97/604098297.db2.gz	JFJFQYWPSIXDMM-UHFFFAOYSA-N	-1	0	323.349	0.872	20	30		DCEDRM
CN(C(=O)[O-])[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000827898867	604222255	/nfs/dbraw/zinc/22/22/55/604222255.db2.gz	ARFCJDBLQPXEBU-JTQLQIEISA-N	-1	0	324.362	0.394	20	30		DCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000824881014	604241884	/nfs/dbraw/zinc/24/18/84/604241884.db2.gz	RTHNNNCEZKNVSW-JOYOIKCWSA-N	-1	0	319.317	0.874	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2ccc(OCCC(=O)[O-])cc2)n1	ZINC000833078639	604299493	/nfs/dbraw/zinc/29/94/93/604299493.db2.gz	NDGYDGDGGBQIOR-UHFFFAOYSA-N	-1	0	315.289	0.642	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N[C@](C)(CNC(=O)[O-])C2CC2)n1	ZINC000830984314	604348072	/nfs/dbraw/zinc/34/80/72/604348072.db2.gz	CCHHDHWLJVXTEP-CYBMUJFWSA-N	-1	0	306.326	0.850	20	30		DCEDRM
C=CCNc1ncc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])s1	ZINC000825692206	604432868	/nfs/dbraw/zinc/43/28/68/604432868.db2.gz	NHKRBIJARPWMRX-SSDOTTSWSA-N	-1	0	313.335	0.487	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])oc2C)CC1	ZINC000055312088	604463699	/nfs/dbraw/zinc/46/36/99/604463699.db2.gz	FFPIWADZKRKWIB-UHFFFAOYSA-N	-1	0	312.347	0.226	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(C#N)c1	ZINC000829983750	604495797	/nfs/dbraw/zinc/49/57/97/604495797.db2.gz	BILCZHSAGVRREC-GFCCVEGCSA-N	-1	0	312.347	0.668	20	30		DCEDRM
N#C[C@@H]1CN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CCO1	ZINC000833061718	604762672	/nfs/dbraw/zinc/76/26/72/604762672.db2.gz	GHUJJQVEOYNZNB-SNVBAGLBSA-N	-1	0	314.301	0.758	20	30		DCEDRM
C[C@@H](C(=O)[O-])n1cccc1CN=Nc1ccc(C(N)=O)nn1	ZINC000833405782	605040664	/nfs/dbraw/zinc/04/06/64/605040664.db2.gz	IMELQHBWDWMAEK-QMMMGPOBSA-N	-1	0	302.294	0.469	20	30		DCEDRM
CC(C)(CC(=O)[O-])CC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000833453512	605110045	/nfs/dbraw/zinc/11/00/45/605110045.db2.gz	XAJAYRAJNCKGMD-YPKPFQOOSA-N	-1	0	323.349	0.520	20	30		DCEDRM
N#Cc1ccc(OC(=O)CN2CCN(C(=O)[O-])CC2=O)c(F)c1	ZINC000831136513	605167856	/nfs/dbraw/zinc/16/78/56/605167856.db2.gz	DTWCMFKJXZFGEY-UHFFFAOYSA-N	-1	0	321.264	0.425	20	30		DCEDRM
COC(=O)c1cc(CN2CCO[C@@H](C#N)C2)cc(C(=O)[O-])c1	ZINC000833712597	605203575	/nfs/dbraw/zinc/20/35/75/605203575.db2.gz	KBWHNNSSGIYXIN-ZDUSSCGKSA-N	-1	0	304.302	0.896	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)NCC[C@@H](C)NC(=O)[O-]	ZINC000829840337	605206509	/nfs/dbraw/zinc/20/65/09/605206509.db2.gz	YDSGUOLIRCHNMB-SECBINFHSA-N	-1	0	318.333	0.968	20	30		DCEDRM
C[C@@H](OC(=O)Cc1ccccc1CC#N)C(=O)NCC(=O)[O-]	ZINC000833529319	605222971	/nfs/dbraw/zinc/22/29/71/605222971.db2.gz	CIXGLFWDOJYYCJ-SNVBAGLBSA-N	-1	0	304.302	0.428	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)NC1CCN(C(=O)[O-])CC1	ZINC000833378946	605269545	/nfs/dbraw/zinc/26/95/45/605269545.db2.gz	YEQGREQBRXJGEA-UHFFFAOYSA-N	-1	0	319.383	0.029	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000833378013	605288049	/nfs/dbraw/zinc/28/80/49/605288049.db2.gz	GAIVLCNDEXEEFG-JTQLQIEISA-N	-1	0	304.368	0.093	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)C1CCC(C(=O)[O-])CC1	ZINC000833378103	605301687	/nfs/dbraw/zinc/30/16/87/605301687.db2.gz	JHHFMERFQYHQHB-UHFFFAOYSA-N	-1	0	303.380	0.594	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)[C@@H](CC(F)F)NC(=O)[O-])C1	ZINC000833966348	605316864	/nfs/dbraw/zinc/31/68/64/605316864.db2.gz	DOJMQKXZLIZWOI-NXEZZACHSA-N	-1	0	318.324	0.630	20	30		DCEDRM
C=CCN(CC1CCCCC1)C(=O)CNC(=O)CNC(=O)[O-]	ZINC000833788115	605347510	/nfs/dbraw/zinc/34/75/10/605347510.db2.gz	NNWBAVYVMFFHAQ-UHFFFAOYSA-N	-1	0	311.382	0.965	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC000833366051	605418364	/nfs/dbraw/zinc/41/83/64/605418364.db2.gz	CZBNJAXFPNBZTN-UHFFFAOYSA-N	-1	0	317.750	0.966	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000833366469	605418584	/nfs/dbraw/zinc/41/85/84/605418584.db2.gz	YJASOZPWBPHKDI-UHFFFAOYSA-N	-1	0	317.750	0.966	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833366247	605497882	/nfs/dbraw/zinc/49/78/82/605497882.db2.gz	NNPZVLAGABYWFN-UHFFFAOYSA-N	-1	0	323.280	0.620	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2CC[C@@H](NC(=O)[O-])C2)c1	ZINC000833968301	605581842	/nfs/dbraw/zinc/58/18/42/605581842.db2.gz	ZKEXRQGUYJQTCO-GFCCVEGCSA-N	-1	0	303.318	1.000	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N[C@H]1CCCN(C(=O)[O-])C1	ZINC000831118275	605625795	/nfs/dbraw/zinc/62/57/95/605625795.db2.gz	SJZAESJUXPNUCS-JTQLQIEISA-N	-1	0	324.362	0.760	20	30		DCEDRM
Cc1onc(CC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)c1C#N	ZINC000833934771	605695738	/nfs/dbraw/zinc/69/57/38/605695738.db2.gz	BKKCKEOQFOTABJ-DTORHVGOSA-N	-1	0	306.322	0.996	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@@]1(C)CCCN1C(=O)[O-]	ZINC000833857404	605728928	/nfs/dbraw/zinc/72/89/28/605728928.db2.gz	KONXACUNHMLMCQ-CQSZACIVSA-N	-1	0	311.338	0.824	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)NCC2CN(C(=O)[O-])C2)nc1	ZINC000833974027	605730315	/nfs/dbraw/zinc/73/03/15/605730315.db2.gz	FIMNXERZDPGPDP-UHFFFAOYSA-N	-1	0	318.337	0.274	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC[C@@H](NC(=O)[O-])C2CC2)c1	ZINC000833976997	605803560	/nfs/dbraw/zinc/80/35/60/605803560.db2.gz	TXVBNAUXUDIIMZ-GFCCVEGCSA-N	-1	0	309.347	0.883	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)[O-])C2CC2)cn1	ZINC000833975955	605805243	/nfs/dbraw/zinc/80/52/43/605805243.db2.gz	HSJJJGPPZHCONZ-LLVKDONJSA-N	-1	0	310.335	0.278	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823506755	605817063	/nfs/dbraw/zinc/81/70/63/605817063.db2.gz	LJJJUODHADAYLH-ZJUUUORDSA-N	-1	0	316.379	0.706	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CN(C(=O)[O-])C1	ZINC000833747154	605940619	/nfs/dbraw/zinc/94/06/19/605940619.db2.gz	BFCZLUMRUFFWHQ-UHFFFAOYSA-N	-1	0	302.290	0.284	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cnc3ncccn23)o1	ZINC000826323029	607886967	/nfs/dbraw/zinc/88/69/67/607886967.db2.gz	MSXJNHMDWBFGSJ-UHFFFAOYSA-N	-1	0	310.281	0.652	20	30		DCEDRM
C#CC[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1	ZINC000823837277	607955971	/nfs/dbraw/zinc/95/59/71/607955971.db2.gz	ADMIGNASAVEQFJ-LBPRGKRZSA-N	-1	0	322.332	0.339	20	30		DCEDRM
C#CC1(O)CN(C(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])C1	ZINC000890523850	657572635	/nfs/dbraw/zinc/57/26/35/657572635.db2.gz	QVAZTZULYZOZAC-UHFFFAOYSA-N	-1	0	315.304	0.846	20	30		DCEDRM
Cc1cc(NC(=O)CSCC(=O)[N-]S(C)(=O)=O)no1	ZINC000042280720	657808098	/nfs/dbraw/zinc/80/80/98/657808098.db2.gz	UTLGGIHGSAOVGF-UHFFFAOYSA-N	-1	0	307.353	0.571	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)C[C@H]1NCC#N	ZINC000939236175	665525892	/nfs/dbraw/zinc/52/58/92/665525892.db2.gz	OIJKZAHODWWTSR-ZWNOBZJWSA-N	-1	0	311.345	0.909	20	30		DCEDRM
CON(C)S(=O)(=O)c1cccc(C(=O)[N-]S(C)(=O)=O)c1	ZINC000048480135	658049670	/nfs/dbraw/zinc/04/96/70/658049670.db2.gz	PGCUGDYXCNCCIS-UHFFFAOYSA-N	-1	0	322.364	0.133	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2(=O)=O)CC1	ZINC000810987647	658134065	/nfs/dbraw/zinc/13/40/65/658134065.db2.gz	TXHXKOARVCOJAK-JTQLQIEISA-N	-1	0	321.420	0.508	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C	ZINC000892418779	658405667	/nfs/dbraw/zinc/40/56/67/658405667.db2.gz	WTYBCNFVQVREAR-UHFFFAOYSA-N	-1	0	301.393	0.208	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)[C@@H](CCC)C(=O)OCC	ZINC000892995199	659637382	/nfs/dbraw/zinc/63/73/82/659637382.db2.gz	VKCQURQKXVEHFP-JTQLQIEISA-N	-1	0	321.420	0.531	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1C[C@@]2(C)CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1	ZINC000982236903	661314964	/nfs/dbraw/zinc/31/49/64/661314964.db2.gz	RHADDLZLRAZFBB-NZVBXONLSA-N	-1	0	318.381	0.340	20	30		DCEDRM
N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000747178344	661656688	/nfs/dbraw/zinc/65/66/88/661656688.db2.gz	GNKNAMVFLWKQEB-UHFFFAOYSA-N	-1	0	321.314	0.837	20	30		DCEDRM
C[C@@H]1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CCN1CC#N	ZINC000947787749	661895222	/nfs/dbraw/zinc/89/52/22/661895222.db2.gz	CRRJOBUWXFOFOC-MNOVXSKESA-N	-1	0	314.349	0.129	20	30		DCEDRM
CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1C(=O)[C@@H](C)C#N	ZINC000984779304	662312920	/nfs/dbraw/zinc/31/29/20/662312920.db2.gz	PKRDJGBZCMPBDC-INTQDDNPSA-N	-1	0	319.365	0.693	20	30		DCEDRM
Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)o2)c1Cl	ZINC000796809314	662397421	/nfs/dbraw/zinc/39/74/21/662397421.db2.gz	ZHUCGNFFJUXITE-UHFFFAOYSA-N	-1	0	314.710	0.657	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC	ZINC000797295257	662471233	/nfs/dbraw/zinc/47/12/33/662471233.db2.gz	SUMCZVRTXHTGDY-SKDRFNHKSA-N	-1	0	307.368	0.223	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000729891238	662911957	/nfs/dbraw/zinc/91/19/57/662911957.db2.gz	QJLJQCWIVLHQHM-UHFFFAOYSA-N	-1	0	318.282	0.741	20	30		DCEDRM
CON=Cc1ccc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)cc1	ZINC000729914816	662912776	/nfs/dbraw/zinc/91/27/76/662912776.db2.gz	CMVJRRHSQMITHD-UHFFFAOYSA-N	-1	0	313.379	0.982	20	30		DCEDRM
Cn1cc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)c(C2CC2)n1	ZINC000899363092	663140377	/nfs/dbraw/zinc/14/03/77/663140377.db2.gz	DCDNUCXSAYPLTA-WAYWQWQTSA-N	-1	0	300.318	0.993	20	30		DCEDRM
C[C@H]1CCCN1S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899926862	663201084	/nfs/dbraw/zinc/20/10/84/663201084.db2.gz	PAWDGYJADAGPKD-NWDGAFQWSA-N	-1	0	300.380	0.516	20	30		DCEDRM
COC(C)(C)CS(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899927578	663201444	/nfs/dbraw/zinc/20/14/44/663201444.db2.gz	XWTBOGRGPUGHQL-NSHDSACASA-N	-1	0	303.380	0.541	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(F)c1	ZINC000899938807	663203112	/nfs/dbraw/zinc/20/31/12/663203112.db2.gz	XYFRFFVQXCTPNV-GDGBQDQQSA-N	-1	0	310.306	0.648	20	30		DCEDRM
CC(C)(C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000902627387	663423492	/nfs/dbraw/zinc/42/34/92/663423492.db2.gz	FXRCEQADNRMNJL-UHFFFAOYSA-N	-1	0	302.334	0.713	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC000903408619	663453698	/nfs/dbraw/zinc/45/36/98/663453698.db2.gz	RIOFYWREVUNYDA-AWEZNQCLSA-N	-1	0	322.386	0.859	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000907014972	663660429	/nfs/dbraw/zinc/66/04/29/663660429.db2.gz	LYJGCRIOUBKVKQ-NSHDSACASA-N	-1	0	309.343	0.716	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@H](C(C)C)N1CCOCC1	ZINC000908771927	663768976	/nfs/dbraw/zinc/76/89/76/663768976.db2.gz	UQLPFEGXTNIBDP-ZDUSSCGKSA-N	-1	0	313.398	0.625	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCN(CC(F)(F)F)C1	ZINC000908896712	663774530	/nfs/dbraw/zinc/77/45/30/663774530.db2.gz	RTMCJMVUUZELIW-VIFPVBQESA-N	-1	0	309.288	0.905	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@H](c2ccnn2C)C1	ZINC000909221515	663788015	/nfs/dbraw/zinc/78/80/15/663788015.db2.gz	LWKPTSKMPIGGCB-YPMHNXCESA-N	-1	0	322.365	0.922	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cn2c(n1)C[C@@H](C)CC2)C(=O)[O-]	ZINC000909769482	663800207	/nfs/dbraw/zinc/80/02/07/663800207.db2.gz	ZDWFEYHOYOVASJ-CMPLNLGQSA-N	-1	0	307.350	0.851	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-]	ZINC000910052315	663837534	/nfs/dbraw/zinc/83/75/34/663837534.db2.gz	TZWLNAYVBFUPKM-GJZGRUSLSA-N	-1	0	316.357	0.480	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cncc(N2CCOCC2)c1)C(=O)[O-]	ZINC000910048000	663840294	/nfs/dbraw/zinc/84/02/94/663840294.db2.gz	BLYISRNJWXGKBX-ZDUSSCGKSA-N	-1	0	303.318	0.125	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@@H]1CCC2(CCOCC2)CO1)C(=O)[O-]	ZINC000910049092	663840413	/nfs/dbraw/zinc/84/04/13/663840413.db2.gz	SELJKNXECRCWOV-STQMWFEESA-N	-1	0	309.362	0.945	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(N2CCOCC2)c(F)c1)C(=O)[O-]	ZINC000910050956	663841127	/nfs/dbraw/zinc/84/11/27/663841127.db2.gz	BSBPPMZVCFBSEX-CYBMUJFWSA-N	-1	0	320.320	0.869	20	30		DCEDRM
C#C[C@@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)[C@H]1CCCO1	ZINC000911578458	664085669	/nfs/dbraw/zinc/08/56/69/664085669.db2.gz	JNGRGLWJMSRTPE-DGCLKSJQSA-N	-1	0	305.334	0.659	20	30		DCEDRM
C=C(Br)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730659750	664799821	/nfs/dbraw/zinc/79/98/21/664799821.db2.gz	ZPAIFOQHGBZQOV-UHFFFAOYSA-N	-1	0	313.111	0.523	20	30		DCEDRM
CCc1c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cnn1C	ZINC000916774301	665093090	/nfs/dbraw/zinc/09/30/90/665093090.db2.gz	NSIBYILMIAEEIJ-UHFFFAOYSA-N	-1	0	318.358	0.973	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC(=O)N2	ZINC000916891806	665099434	/nfs/dbraw/zinc/09/94/34/665099434.db2.gz	FPDFDRPARXURFB-GFCCVEGCSA-N	-1	0	315.329	0.656	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Cn2cncn2)cc1	ZINC000916926686	665101234	/nfs/dbraw/zinc/10/12/34/665101234.db2.gz	ROESPKQQFFTDTK-CQSZACIVSA-N	-1	0	309.329	0.927	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccc2c1OCO2	ZINC000917423698	665132410	/nfs/dbraw/zinc/13/24/10/665132410.db2.gz	ZAMJCOFHKYRQAP-LLVKDONJSA-N	-1	0	304.302	0.890	20	30		DCEDRM
C=C(Cl)CN1CC[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001033230409	666638786	/nfs/dbraw/zinc/63/87/86/666638786.db2.gz	OAXLORDIKJJASU-MRVPVSSYSA-N	-1	0	313.745	0.182	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)C#N)c1[O-]	ZINC000996088180	666737983	/nfs/dbraw/zinc/73/79/83/666737983.db2.gz	NNZDMJQYFPOXLO-VFRUTBLMSA-N	-1	0	317.349	0.445	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC000996399497	666782131	/nfs/dbraw/zinc/78/21/31/666782131.db2.gz	CWDOUEXQWFFMIT-SSDOTTSWSA-N	-1	0	315.289	0.029	20	30		DCEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000735056930	666945154	/nfs/dbraw/zinc/94/51/54/666945154.db2.gz	ADTBWGVKJMKONJ-ZUZCIYMTSA-N	-1	0	314.349	0.660	20	30		DCEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000735056929	666945176	/nfs/dbraw/zinc/94/51/76/666945176.db2.gz	ADTBWGVKJMKONJ-MEBBXXQBSA-N	-1	0	314.349	0.660	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000863421229	667142268	/nfs/dbraw/zinc/14/22/68/667142268.db2.gz	PXQLCBIRRMDHNN-SECBINFHSA-N	-1	0	321.786	0.911	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C[C@H]1CCOC[C@H]1OCC)C(=O)[O-]	ZINC000864146192	667219225	/nfs/dbraw/zinc/21/92/25/667219225.db2.gz	RXFKMOKGCMPWCW-FRRDWIJNSA-N	-1	0	315.366	0.590	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](OCC)C1CCOCC1)C(=O)[O-]	ZINC000864146803	667219803	/nfs/dbraw/zinc/21/98/03/667219803.db2.gz	YMVOREUYALDUQO-OLZOCXBDSA-N	-1	0	315.366	0.590	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](OCC)C1CCOCC1)C(=O)[O-]	ZINC000864146805	667219855	/nfs/dbraw/zinc/21/98/55/667219855.db2.gz	YMVOREUYALDUQO-STQMWFEESA-N	-1	0	315.366	0.590	20	30		DCEDRM
C#CCN1CCN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)CC1	ZINC000121821978	667499866	/nfs/dbraw/zinc/49/98/66/667499866.db2.gz	AKHGEOYYTVTMKT-UHFFFAOYSA-N	-1	0	316.386	0.359	20	30		DCEDRM
C=CCOCC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC000868456600	667573672	/nfs/dbraw/zinc/57/36/72/667573672.db2.gz	ZJJYTMWEZMBRPW-VXGBXAGGSA-N	-1	0	307.350	0.639	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1	ZINC000737492697	667610995	/nfs/dbraw/zinc/61/09/95/667610995.db2.gz	NUSKCUDQFOAPTD-UHFFFAOYSA-N	-1	0	321.377	0.412	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)CC(=O)OCC)OCC	ZINC000838844651	667712351	/nfs/dbraw/zinc/71/23/51/667712351.db2.gz	COSTXQQCFLYRKU-SNVBAGLBSA-N	-1	0	307.368	0.367	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1CCOC[C@@H]1OCC	ZINC000870330273	667731526	/nfs/dbraw/zinc/73/15/26/667731526.db2.gz	BQHXNCNBBLRJTM-RYUDHWBXSA-N	-1	0	303.380	0.287	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)CN2CCCCC(=O)C2=O)c1	ZINC000870693767	667752529	/nfs/dbraw/zinc/75/25/29/667752529.db2.gz	TYCXQWZKUAVHEB-UHFFFAOYSA-N	-1	0	301.302	0.550	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCCCNC(C)=O)CC1	ZINC000870830629	667764934	/nfs/dbraw/zinc/76/49/34/667764934.db2.gz	ARESDEXTXBLDBG-UHFFFAOYSA-N	-1	0	302.396	0.848	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn(CCCOC)c2)CC1	ZINC000870839205	667765364	/nfs/dbraw/zinc/76/53/64/667765364.db2.gz	GNQZULQASVUMGO-UHFFFAOYSA-N	-1	0	313.379	0.698	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3cnn(C)c3C2)CC1	ZINC000870836684	667765495	/nfs/dbraw/zinc/76/54/95/667765495.db2.gz	LMZJFXFUTZCJPD-SNVBAGLBSA-N	-1	0	309.391	0.690	20	30		DCEDRM
COC[C@@H]1COCCN1C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000886876369	667812888	/nfs/dbraw/zinc/81/28/88/667812888.db2.gz	DDECNGABTHHFRA-SNVBAGLBSA-N	-1	0	323.374	0.868	20	30		DCEDRM
COC[C@@](C)(O)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000745321104	667844817	/nfs/dbraw/zinc/84/48/17/667844817.db2.gz	IOPKZEQFJJJWRX-NOZJJQNGSA-N	-1	0	312.347	0.568	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2c3c(nn2C)CCCC3)c1=O	ZINC000872329933	667891640	/nfs/dbraw/zinc/89/16/40/667891640.db2.gz	AFTVJSQCHFUJOT-UHFFFAOYSA-N	-1	0	304.379	0.730	20	30		DCEDRM
C#CCC[C@@H](O)C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000872483879	667901755	/nfs/dbraw/zinc/90/17/55/667901755.db2.gz	KFLYEAMXCFBUBV-MGNBDDOMSA-N	-1	0	310.441	0.491	20	30		DCEDRM
N#CCn1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cn1	ZINC000747407653	667902372	/nfs/dbraw/zinc/90/23/72/667902372.db2.gz	SILLAMPIGGKUGK-UHFFFAOYSA-N	-1	0	320.330	0.979	20	30		DCEDRM
CN(C)C(=O)Cn1cc(C(=O)Nc2cc(C#N)ccc2[O-])nn1	ZINC000748410705	667927062	/nfs/dbraw/zinc/92/70/62/667927062.db2.gz	PMILEEUAFURBAR-UHFFFAOYSA-N	-1	0	314.305	0.196	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(OC(C)C)n1	ZINC000754814794	668051545	/nfs/dbraw/zinc/05/15/45/668051545.db2.gz	CPRXCDUVHVPOHT-LLVKDONJSA-N	-1	0	305.334	0.954	20	30		DCEDRM
N#CC1CCC(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC000755958608	668074306	/nfs/dbraw/zinc/07/43/06/668074306.db2.gz	XYFHZUVBEZLPMJ-UHFFFAOYSA-N	-1	0	315.333	0.944	20	30		DCEDRM
NC(=O)c1ccc(N=NCc2ccccc2OCC(=O)[O-])nn1	ZINC000756844373	668103071	/nfs/dbraw/zinc/10/30/71/668103071.db2.gz	NTHGHPWTRQPXBL-UHFFFAOYSA-N	-1	0	315.289	0.485	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cncc(N2CCOCC2)c1	ZINC000757410101	668130573	/nfs/dbraw/zinc/13/05/73/668130573.db2.gz	QFVYVVDOGPNKHI-AWEZNQCLSA-N	-1	0	314.345	0.519	20	30		DCEDRM
Cc1cc(=O)[n-]c(N=NC2CCC3(CC2)NC(=O)NC3=O)n1	ZINC000758088869	668156766	/nfs/dbraw/zinc/15/67/66/668156766.db2.gz	GCXJUTBVLRCALG-UHFFFAOYSA-N	-1	0	304.310	0.411	20	30		DCEDRM
COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000758504679	668180081	/nfs/dbraw/zinc/18/00/81/668180081.db2.gz	OJWIWHFRIHKSGP-VIFPVBQESA-N	-1	0	310.331	0.562	20	30		DCEDRM
N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000758568776	668184427	/nfs/dbraw/zinc/18/44/27/668184427.db2.gz	KZBQXIULHNYPIZ-WAYWQWQTSA-N	-1	0	314.326	0.867	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC	ZINC000759481825	668221555	/nfs/dbraw/zinc/22/15/55/668221555.db2.gz	MMSQGAFLNRRBGQ-NSHDSACASA-N	-1	0	316.379	0.178	20	30		DCEDRM
COC(=O)c1cncc(C([O-])=C(C#N)C(=O)N2CCCC2)c1	ZINC000760198408	668263085	/nfs/dbraw/zinc/26/30/85/668263085.db2.gz	UTLZZCSGXDNVQI-GFCCVEGCSA-N	-1	0	301.302	0.813	20	30		DCEDRM
N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000761106441	668305471	/nfs/dbraw/zinc/30/54/71/668305471.db2.gz	IQMOJLCRZHTHIR-CYBMUJFWSA-N	-1	0	308.359	0.530	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(S(=O)(=O)NC)c1	ZINC000762068531	668345462	/nfs/dbraw/zinc/34/54/62/668345462.db2.gz	PIENJCXMJFKIDR-UHFFFAOYSA-N	-1	0	312.347	0.308	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nccn2cc(C)nc12	ZINC000763933419	668426495	/nfs/dbraw/zinc/42/64/95/668426495.db2.gz	VGBSIRUAXNRBTG-JTQLQIEISA-N	-1	0	301.306	0.123	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1	ZINC000764050497	668432677	/nfs/dbraw/zinc/43/26/77/668432677.db2.gz	FXMQLADFNYIZEA-VIFPVBQESA-N	-1	0	310.379	0.510	20	30		DCEDRM
COc1cc(C=Nn2c(=O)cn[nH]c2=S)cc([N+](=O)[O-])c1[O-]	ZINC000766483431	668537139	/nfs/dbraw/zinc/53/71/39/668537139.db2.gz	WIVCRZSPUDAMDI-UHFFFAOYSA-N	-1	0	323.290	0.432	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCO1	ZINC000766988982	668556285	/nfs/dbraw/zinc/55/62/85/668556285.db2.gz	ULGOTRDFYXXEQO-NSHDSACASA-N	-1	0	324.358	0.941	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)[N-]OCC(F)(F)F)cc1	ZINC000768293299	668604504	/nfs/dbraw/zinc/60/45/04/668604504.db2.gz	YDBFIBLIGBCSEB-UHFFFAOYSA-N	-1	0	301.224	0.898	20	30		DCEDRM
O=C([O-])Cn1cc(CN=Nc2nc(-c3ccncc3)no2)nn1	ZINC000768482953	668611993	/nfs/dbraw/zinc/61/19/93/668611993.db2.gz	KRBBFNOJWLSHOW-UHFFFAOYSA-N	-1	0	314.265	0.254	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)C2(C(N)=O)CCC2)n1	ZINC000769095175	668634379	/nfs/dbraw/zinc/63/43/79/668634379.db2.gz	FAZQGJMKYFLHMQ-VIFPVBQESA-N	-1	0	321.358	0.827	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H](OCC)[C@]12CCCO2	ZINC000929052865	668648309	/nfs/dbraw/zinc/64/83/09/668648309.db2.gz	RTSXKNVBVNEOJK-XUJVJEKNSA-N	-1	0	312.366	0.995	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])n1C	ZINC000770877090	668721494	/nfs/dbraw/zinc/72/14/94/668721494.db2.gz	SHICNZYZDQUHSC-QMMMGPOBSA-N	-1	0	301.262	0.872	20	30		DCEDRM
COc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)nn1C	ZINC000773968087	668818372	/nfs/dbraw/zinc/81/83/72/668818372.db2.gz	DAOXXPQYCDHZSZ-NSHDSACASA-N	-1	0	322.365	0.682	20	30		DCEDRM
CN(CC(=O)[N-]S(=O)(=O)CCCC#N)[C@@H]1CCSC1	ZINC000774290923	668829484	/nfs/dbraw/zinc/82/94/84/668829484.db2.gz	GKKWPBKFNNDTKH-SNVBAGLBSA-N	-1	0	305.425	0.173	20	30		DCEDRM
CCOc1nc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)co1	ZINC000774290083	668829612	/nfs/dbraw/zinc/82/96/12/668829612.db2.gz	AOOGCCUYWZSSGX-UHFFFAOYSA-N	-1	0	301.324	0.683	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000775235179	668859498	/nfs/dbraw/zinc/85/94/98/668859498.db2.gz	SSVSHYNNPYBPJG-UHFFFAOYSA-N	-1	0	322.346	0.499	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CNC(=O)Nc1ccccc1	ZINC000776115906	668870996	/nfs/dbraw/zinc/87/09/96/668870996.db2.gz	YLJJGHPMEFVXRJ-UHFFFAOYSA-N	-1	0	324.362	0.558	20	30		DCEDRM
Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776121607	668871197	/nfs/dbraw/zinc/87/11/97/668871197.db2.gz	IIAQMGPTRDGVGJ-UHFFFAOYSA-N	-1	0	307.335	0.401	20	30		DCEDRM
COc1c(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c(C)nn1C	ZINC000776138362	668871666	/nfs/dbraw/zinc/87/16/66/668871666.db2.gz	MIVOFCXUKQBCND-UHFFFAOYSA-N	-1	0	314.367	0.347	20	30		DCEDRM
Cn1cccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)c1=O	ZINC000779314144	668909551	/nfs/dbraw/zinc/90/95/51/668909551.db2.gz	FSHQQNRAJVJIJJ-UHFFFAOYSA-N	-1	0	323.374	0.529	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000780574106	668995994	/nfs/dbraw/zinc/99/59/94/668995994.db2.gz	AOZBPJNDPBXGTL-CYBMUJFWSA-N	-1	0	318.329	0.694	20	30		DCEDRM
COC(=O)c1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)on1	ZINC000781470086	669045204	/nfs/dbraw/zinc/04/52/04/669045204.db2.gz	NNLWTHXNUXEDDI-UHFFFAOYSA-N	-1	0	315.307	0.071	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@]12CCOC2	ZINC000781593496	669052126	/nfs/dbraw/zinc/05/21/26/669052126.db2.gz	CHMGQCINXOYHNV-HZMBPMFUSA-N	-1	0	324.333	0.929	20	30		DCEDRM
CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000781598254	669052242	/nfs/dbraw/zinc/05/22/42/669052242.db2.gz	RWFOYXBDMHMOST-SSDOTTSWSA-N	-1	0	313.310	0.027	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@H]1CO[C@@H](C)C1	ZINC000784546618	669209901	/nfs/dbraw/zinc/20/99/01/669209901.db2.gz	KXAUAFFXELMHSD-GXSJLCMTSA-N	-1	0	324.358	0.797	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CO[C@@H](C)C1	ZINC000784546624	669210176	/nfs/dbraw/zinc/21/01/76/669210176.db2.gz	KXAUAFFXELMHSD-ONGXEEELSA-N	-1	0	324.358	0.797	20	30		DCEDRM
COC[C@@H](C#N)OC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000785310020	669247482	/nfs/dbraw/zinc/24/74/82/669247482.db2.gz	KQDGFGNZQYQBAG-SNVBAGLBSA-N	-1	0	304.306	0.676	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1COc2cc(OC)ccc2C1	ZINC000791105379	669593273	/nfs/dbraw/zinc/59/32/73/669593273.db2.gz	CUEVBJZJEYFYGH-GFCCVEGCSA-N	-1	0	323.370	0.716	20	30		DCEDRM
CC[C@@H](NN=C1C(=O)Nc2cc3c(cc21)OCCO3)C(=O)[O-]	ZINC000793082006	669701404	/nfs/dbraw/zinc/70/14/04/669701404.db2.gz	RWWYAOFEOAXVRD-MRVPVSSYSA-N	-1	0	305.290	0.567	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc3nccnc32)CC1	ZINC000793203032	669707183	/nfs/dbraw/zinc/70/71/83/669707183.db2.gz	FSTBYHCCYHPELP-UHFFFAOYSA-N	-1	0	316.342	0.993	20	30		DCEDRM
CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793201784	669707479	/nfs/dbraw/zinc/70/74/79/669707479.db2.gz	RBIWMPDZGDBSMY-JTQLQIEISA-N	-1	0	304.368	0.178	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCOC[C@H]2CCCO2)CC1	ZINC000793201552	669707497	/nfs/dbraw/zinc/70/74/97/669707497.db2.gz	MCNOJYSJGURJKD-LLVKDONJSA-N	-1	0	316.379	0.322	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)CC1	ZINC000793212290	669708385	/nfs/dbraw/zinc/70/83/85/669708385.db2.gz	MMNITLYRBNRDGB-VHSXEESVSA-N	-1	0	313.379	0.028	20	30		DCEDRM
Cn1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)ccc1[N+](=O)[O-]	ZINC000793212489	669708396	/nfs/dbraw/zinc/70/83/96/669708396.db2.gz	NWKIOZIBBFAQPU-UHFFFAOYSA-N	-1	0	312.307	0.297	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000798203094	669992032	/nfs/dbraw/zinc/99/20/32/669992032.db2.gz	SKQKCDAXRRMDOQ-UHFFFAOYSA-N	-1	0	315.372	0.173	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000799085330	670038960	/nfs/dbraw/zinc/03/89/60/670038960.db2.gz	PALOGGVLMBUPIE-LLVKDONJSA-N	-1	0	310.375	0.562	20	30		DCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cc1C#N	ZINC000799621523	670067065	/nfs/dbraw/zinc/06/70/65/670067065.db2.gz	KYMGOXNJYLVMQR-LLVKDONJSA-N	-1	0	308.359	0.963	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCn2ccnn2)CCCC1	ZINC000802129022	670151338	/nfs/dbraw/zinc/15/13/38/670151338.db2.gz	ZEFMKNUGDFXJBP-UHFFFAOYSA-N	-1	0	311.367	0.198	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)C1=CCOCC1	ZINC000802203576	670157252	/nfs/dbraw/zinc/15/72/52/670157252.db2.gz	SMXCRQLPSHPPDV-UHFFFAOYSA-N	-1	0	310.306	0.849	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)[N-]OC1CCOCC1)c1cccc(C#N)c1	ZINC000804402032	670293146	/nfs/dbraw/zinc/29/31/46/670293146.db2.gz	GVTFCMJTOLOXDD-LLVKDONJSA-N	-1	0	317.345	0.962	20	30		DCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2cccc(-n3ccnn3)c2)nn1	ZINC000806575729	670321839	/nfs/dbraw/zinc/32/18/39/670321839.db2.gz	KWBDHIGRPSPAAI-PLNGDYQASA-N	-1	0	324.300	0.840	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000809036305	670438457	/nfs/dbraw/zinc/43/84/57/670438457.db2.gz	VKWSVMJDQPTBHQ-JTQLQIEISA-N	-1	0	301.368	0.515	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000809034214	670438708	/nfs/dbraw/zinc/43/87/08/670438708.db2.gz	VBRWWMGNOCPJDG-UHFFFAOYSA-N	-1	0	308.319	0.620	20	30		DCEDRM
CCN(C(=O)c1cc(C#N)c[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC000949854691	670448693	/nfs/dbraw/zinc/44/86/93/670448693.db2.gz	SWTWWQSPIUSBII-UHFFFAOYSA-N	-1	0	315.337	0.057	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)NCc1ccc(OC)c(C#N)c1	ZINC000809502748	670453330	/nfs/dbraw/zinc/45/33/30/670453330.db2.gz	SHYNDTSJRHRUTD-UHFFFAOYSA-N	-1	0	321.333	0.267	20	30		DCEDRM
CCCCCCCS(=O)(=O)[N-]c1ncn(CC(=O)NC)n1	ZINC000194793698	670456930	/nfs/dbraw/zinc/45/69/30/670456930.db2.gz	IETGXGUYNLCPJU-UHFFFAOYSA-N	-1	0	317.415	0.736	20	30		DCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)Cc1cccc(OCC#N)c1	ZINC000810597621	670491449	/nfs/dbraw/zinc/49/14/49/670491449.db2.gz	HSIJLLQPXITDBD-UHFFFAOYSA-N	-1	0	311.363	0.444	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)nc1C	ZINC000810651576	670492961	/nfs/dbraw/zinc/49/29/61/670492961.db2.gz	MZESBBHHPPBJAM-UHFFFAOYSA-N	-1	0	319.346	0.597	20	30		DCEDRM
Cc1ncc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)s1	ZINC000810718173	670495101	/nfs/dbraw/zinc/49/51/01/670495101.db2.gz	BQKZGNXOUTYONS-UHFFFAOYSA-N	-1	0	308.344	0.837	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nnn(-c2ccccc2)c1C	ZINC000810773318	670496744	/nfs/dbraw/zinc/49/67/44/670496744.db2.gz	ZCUJROZXIHHTAI-UHFFFAOYSA-N	-1	0	318.358	0.659	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc(-c2cnn(C)c2)s1	ZINC000810771180	670496746	/nfs/dbraw/zinc/49/67/46/670496746.db2.gz	HPEKDNJUMBINCV-UHFFFAOYSA-N	-1	0	324.387	0.627	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)SCC(=O)N2	ZINC000810774642	670496912	/nfs/dbraw/zinc/49/69/12/670496912.db2.gz	PARSOMPVEZZBCG-UHFFFAOYSA-N	-1	0	324.383	0.814	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C(C)=O)c(C)nc1C	ZINC000810773720	670496985	/nfs/dbraw/zinc/49/69/85/670496985.db2.gz	FAYNBQJPCRSHQV-UHFFFAOYSA-N	-1	0	308.359	0.984	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000810774773	670497038	/nfs/dbraw/zinc/49/70/38/670497038.db2.gz	QNPKCCBWDYUJQY-UHFFFAOYSA-N	-1	0	312.303	0.686	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1=Cc2cc(OC)ccc2OC1	ZINC000810782331	670497805	/nfs/dbraw/zinc/49/78/05/670497805.db2.gz	MWZQELYHRDASMW-UHFFFAOYSA-N	-1	0	321.354	0.940	20	30		DCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1	ZINC000847709702	670593438	/nfs/dbraw/zinc/59/34/38/670593438.db2.gz	YPMJHHJANRSBQL-UHFFFAOYSA-N	-1	0	307.335	0.847	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O	ZINC000812784781	670596010	/nfs/dbraw/zinc/59/60/10/670596010.db2.gz	IAZRDIDWPZJTRP-HNNXBMFYSA-N	-1	0	307.350	0.558	20	30		DCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1COC[C@H]1c1ccccc1	ZINC000854648234	670603606	/nfs/dbraw/zinc/60/36/06/670603606.db2.gz	AUQFDLQWULDKFX-BFHYXJOUSA-N	-1	0	304.346	0.913	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000847893683	670611039	/nfs/dbraw/zinc/61/10/39/670611039.db2.gz	CWYJTMDOHQQQCQ-UHFFFAOYSA-N	-1	0	311.319	0.844	20	30		DCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000848133376	670639005	/nfs/dbraw/zinc/63/90/05/670639005.db2.gz	XYQLLELDLZECPG-NSHDSACASA-N	-1	0	316.317	0.688	20	30		DCEDRM
Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981970	670667549	/nfs/dbraw/zinc/66/75/49/670667549.db2.gz	OWIYLGNDVKDERZ-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
CCc1nn(C)c(OC)c1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC000814723970	670701888	/nfs/dbraw/zinc/70/18/88/670701888.db2.gz	FUPYGQDMLWVOQH-UHFFFAOYSA-N	-1	0	308.367	0.422	20	30		DCEDRM
O=C([O-])C1CC(N=Nc2ccc(S(=O)(=O)NC3CC3)cn2)C1	ZINC000814799398	670703802	/nfs/dbraw/zinc/70/38/02/670703802.db2.gz	FQHWNPHXKJMLNP-UHFFFAOYSA-N	-1	0	324.362	0.785	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C1CC[C@H](C(=O)[O-])C[C@H]1C	ZINC000814845579	670706023	/nfs/dbraw/zinc/70/60/23/670706023.db2.gz	ZWHCOCLVPKINGZ-SFYZADRCSA-N	-1	0	300.384	0.073	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cnc(Cl)c(OC)c1	ZINC000849219411	670765828	/nfs/dbraw/zinc/76/58/28/670765828.db2.gz	UEMHBXORKNYGAS-UHFFFAOYSA-N	-1	0	318.738	0.452	20	30		DCEDRM
CCn1nncc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000815898527	670770530	/nfs/dbraw/zinc/77/05/30/670770530.db2.gz	INGUZXFMABAADV-UHFFFAOYSA-N	-1	0	305.319	0.288	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000815893753	670770673	/nfs/dbraw/zinc/77/06/73/670770673.db2.gz	UUDNHGCTQHAIMV-UHFFFAOYSA-N	-1	0	322.342	0.957	20	30		DCEDRM
CCn1ncc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC000815898722	670770746	/nfs/dbraw/zinc/77/07/46/670770746.db2.gz	QBFIQEOAJQTFPK-UHFFFAOYSA-N	-1	0	305.319	0.288	20	30		DCEDRM
CCn1nncc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000816009004	670779696	/nfs/dbraw/zinc/77/96/96/670779696.db2.gz	LFWKJJUZIQBRKT-UHFFFAOYSA-N	-1	0	311.367	0.442	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC	ZINC000816023843	670780568	/nfs/dbraw/zinc/78/05/68/670780568.db2.gz	KTPMPPRMMFFXIT-SFYZADRCSA-N	-1	0	313.322	0.841	20	30		DCEDRM
CCn1ncc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)n1	ZINC000816033190	670781471	/nfs/dbraw/zinc/78/14/71/670781471.db2.gz	FBESNGWKTGPMOW-UHFFFAOYSA-N	-1	0	323.309	0.427	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OCC)cn1	ZINC000816056074	670784124	/nfs/dbraw/zinc/78/41/24/670784124.db2.gz	CRLVLIOBPSDHHF-UHFFFAOYSA-N	-1	0	310.331	0.341	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(=O)OC)c2)CC1	ZINC000816089339	670785781	/nfs/dbraw/zinc/78/57/81/670785781.db2.gz	RWSRSVQYCWLCEM-UHFFFAOYSA-N	-1	0	312.347	0.970	20	30		DCEDRM
Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)CCCC#N)cc12	ZINC000816201476	670791472	/nfs/dbraw/zinc/79/14/72/670791472.db2.gz	FHUGBCAHDVHVOT-UHFFFAOYSA-N	-1	0	321.362	0.776	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncnc2ccsc21	ZINC000850757874	670938723	/nfs/dbraw/zinc/93/87/23/670938723.db2.gz	SQHTVPHWNGLSND-QMMMGPOBSA-N	-1	0	304.331	0.776	20	30		DCEDRM
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)[N-]OCCOC	ZINC000817856566	670948701	/nfs/dbraw/zinc/94/87/01/670948701.db2.gz	YHHSKSILQSSFTD-AWEZNQCLSA-N	-1	0	306.362	0.984	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(C(=O)OC(C)(C)C)CCC1	ZINC000850999638	670960192	/nfs/dbraw/zinc/96/01/92/670960192.db2.gz	HVGJMDCJKDIWKQ-UHFFFAOYSA-N	-1	0	315.391	0.968	20	30		DCEDRM
CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N	ZINC000851017358	670961174	/nfs/dbraw/zinc/96/11/74/670961174.db2.gz	DDUPWDIEEHDSIJ-UWVGGRQHSA-N	-1	0	304.368	0.714	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1	ZINC000851016636	670961437	/nfs/dbraw/zinc/96/14/37/670961437.db2.gz	ZRVDTAJUHRIKFY-CHWSQXEVSA-N	-1	0	324.358	0.503	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccn3nnnc3c2)CC1	ZINC000851032826	670963027	/nfs/dbraw/zinc/96/30/27/670963027.db2.gz	YBPWQOGABKDLEV-UHFFFAOYSA-N	-1	0	307.335	0.293	20	30		DCEDRM
COc1cc(CS(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)sn1	ZINC000851438069	670988423	/nfs/dbraw/zinc/98/84/23/670988423.db2.gz	ZZBSJZWQUWMHGW-ZETCQYMHSA-N	-1	0	303.365	0.647	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1cc(OC)ns1	ZINC000851436344	670988689	/nfs/dbraw/zinc/98/86/89/670988689.db2.gz	YJIYEHNOVALRRE-UHFFFAOYSA-N	-1	0	318.376	0.138	20	30		DCEDRM
CC1(C)CC[C@H]1NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000858455987	671006137	/nfs/dbraw/zinc/00/61/37/671006137.db2.gz	AQULFKGZANYHIO-LLVKDONJSA-N	-1	0	317.349	0.575	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000818625415	671037677	/nfs/dbraw/zinc/03/76/77/671037677.db2.gz	UXRLXERXJZHZHU-UHFFFAOYSA-N	-1	0	320.411	0.777	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CCN(c2ncccn2)CC1	ZINC000819833397	671141005	/nfs/dbraw/zinc/14/10/05/671141005.db2.gz	GSBZMSUQBGGFFF-HNNXBMFYSA-N	-1	0	317.349	0.566	20	30		DCEDRM
C=CCCn1cc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)nn1	ZINC000819927809	671147198	/nfs/dbraw/zinc/14/71/98/671147198.db2.gz	ZXYGHILNCNROOB-XHDPSFHLSA-N	-1	0	320.349	0.418	20	30		DCEDRM
C=CCC1(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CCOCC1	ZINC000819927582	671147283	/nfs/dbraw/zinc/14/72/83/671147283.db2.gz	UWDNAOVNDOQJBE-UHFFFAOYSA-N	-1	0	320.349	0.733	20	30		DCEDRM
CCOc1cc(/C=C/C(=O)N[C@@H]2CCN(O)C2=O)ccc1O	ZINC000820149407	671172317	/nfs/dbraw/zinc/17/23/17/671172317.db2.gz	OTWCBVWWWDAUIR-DUMNWFOQSA-N	-1	0	306.318	0.910	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)CCOCC1	ZINC000820605890	671213892	/nfs/dbraw/zinc/21/38/92/671213892.db2.gz	LDIOMLYAZSBEPH-JTQLQIEISA-N	-1	0	319.379	0.367	20	30		DCEDRM
COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc(C#N)cs1)OC	ZINC000853202326	671217727	/nfs/dbraw/zinc/21/77/27/671217727.db2.gz	DHKHTFLDHZVSEF-SECBINFHSA-N	-1	0	318.376	0.341	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1	ZINC000860722355	671233524	/nfs/dbraw/zinc/23/35/24/671233524.db2.gz	XALPNJHUOCMATI-UHFFFAOYSA-N	-1	0	321.358	0.291	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)CCC(F)(F)F)cn1	ZINC000860731843	671233991	/nfs/dbraw/zinc/23/39/91/671233991.db2.gz	RUSRWBWGLXQSPC-UHFFFAOYSA-N	-1	0	321.280	0.894	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)CCOCC1	ZINC000820865308	671234521	/nfs/dbraw/zinc/23/45/21/671234521.db2.gz	RUCPAZDNHAMYGZ-NSHDSACASA-N	-1	0	305.396	0.840	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1)n1cccn1	ZINC000821582279	671284312	/nfs/dbraw/zinc/28/43/12/671284312.db2.gz	ITIODUXNZUJVGP-CYBMUJFWSA-N	-1	0	318.358	0.832	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc(O[C@H]2CCOC2)cc1	ZINC000835408791	671795638	/nfs/dbraw/zinc/79/56/38/671795638.db2.gz	NVXLHEKVSNWQPM-ZDUSSCGKSA-N	-1	0	324.358	0.828	20	30		DCEDRM
CNc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1[N+](=O)[O-]	ZINC000835412116	671796065	/nfs/dbraw/zinc/79/60/65/671796065.db2.gz	UAFSBYFCXJWVKC-UHFFFAOYSA-N	-1	0	312.307	0.610	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)COCC2CCCC2)c1	ZINC000835462699	671797223	/nfs/dbraw/zinc/79/72/23/671797223.db2.gz	DEIBWAUUIWRPTO-UHFFFAOYSA-N	-1	0	323.374	0.965	20	30		DCEDRM
CC(C)[C@@H](CO)O[N-]C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000836890689	671837593	/nfs/dbraw/zinc/83/75/93/671837593.db2.gz	IZAMXRUYUUONFP-CYBMUJFWSA-N	-1	0	305.334	0.353	20	30		DCEDRM
C=CCO[N-]C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O	ZINC000837044044	671843466	/nfs/dbraw/zinc/84/34/66/671843466.db2.gz	VPYYOMOSELTKAE-HNNXBMFYSA-N	-1	0	303.318	0.687	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)NCCCCC(=O)[O-])nc1	ZINC000840984062	671907465	/nfs/dbraw/zinc/90/74/65/671907465.db2.gz	FFOQAAHTQKPGDO-UHFFFAOYSA-N	-1	0	305.338	0.919	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000842303582	672004139	/nfs/dbraw/zinc/00/41/39/672004139.db2.gz	NEDRJKVQUHCPAR-NWDGAFQWSA-N	-1	0	322.342	0.281	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C(=O)OC(C)(C)C	ZINC000842330820	672005922	/nfs/dbraw/zinc/00/59/22/672005922.db2.gz	WCCNMRTVHFPASZ-SECBINFHSA-N	-1	0	304.368	0.714	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2SCCS2)CCC1	ZINC000842341280	672006783	/nfs/dbraw/zinc/00/67/83/672006783.db2.gz	WWZGKUNELIYDPW-UHFFFAOYSA-N	-1	0	306.434	0.932	20	30		DCEDRM
CC[C@H](NN=Cc1ccc(S(N)(=O)=O)cc1F)C(=O)[O-]	ZINC000842532535	672017391	/nfs/dbraw/zinc/01/73/91/672017391.db2.gz	ARSKRFIQYTUHEB-JTQLQIEISA-N	-1	0	303.315	0.260	20	30		DCEDRM
CS(=O)(=O)N1CC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000844269079	672169919	/nfs/dbraw/zinc/16/99/19/672169919.db2.gz	AHCVUMJJCZANGW-QVASGMJFSA-N	-1	0	313.335	0.753	20	30		DCEDRM
CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cnn(CC#N)c1	ZINC000844651742	672191837	/nfs/dbraw/zinc/19/18/37/672191837.db2.gz	RKGWWNHHMCWHBI-NSHDSACASA-N	-1	0	314.367	0.880	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	ZINC000844786534	672202831	/nfs/dbraw/zinc/20/28/31/672202831.db2.gz	BDOPLBWEMCQYSM-GXSJLCMTSA-N	-1	0	303.384	0.556	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])CC1	ZINC000844790970	672202924	/nfs/dbraw/zinc/20/29/24/672202924.db2.gz	CVPNYUGBGHLTFT-JTQLQIEISA-N	-1	0	302.352	0.186	20	30		DCEDRM
C[C@H]1CCN(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)C1	ZINC000844817742	672204511	/nfs/dbraw/zinc/20/45/11/672204511.db2.gz	PIGFODRJYHUMGK-NSHDSACASA-N	-1	0	300.380	0.373	20	30		DCEDRM
CO[C@@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C(F)(F)F	ZINC000845501320	672253638	/nfs/dbraw/zinc/25/36/38/672253638.db2.gz	GEDPIDVTOWGBSP-ZETCQYMHSA-N	-1	0	316.301	0.950	20	30		DCEDRM
CO[C@H](CC(=O)[N-]S(=O)(=O)CCCC#N)C(F)(F)F	ZINC000845501244	672253690	/nfs/dbraw/zinc/25/36/90/672253690.db2.gz	CVTPXBCDVMYCHA-SSDOTTSWSA-N	-1	0	302.274	0.704	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)NCc1ccc(C#N)c(OC)c1	ZINC000845532505	672256163	/nfs/dbraw/zinc/25/61/63/672256163.db2.gz	ODDHEQNHOVCZQG-UHFFFAOYSA-N	-1	0	306.322	0.434	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)NCc1ccc(OC)c(C#N)c1	ZINC000845540646	672257743	/nfs/dbraw/zinc/25/77/43/672257743.db2.gz	AZNGEBBXEQKLFP-UHFFFAOYSA-N	-1	0	306.322	0.434	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1nscc1Br	ZINC000845544251	672258908	/nfs/dbraw/zinc/25/89/08/672258908.db2.gz	IJBHFYWIJMOJQD-UHFFFAOYSA-N	-1	0	323.193	0.989	20	30		DCEDRM
COC(=O)c1coc(S(=O)(=O)[N-]C(=O)CCCC#N)c1	ZINC000845885633	672280731	/nfs/dbraw/zinc/28/07/31/672280731.db2.gz	RIUXXANUKOTSRK-UHFFFAOYSA-N	-1	0	300.292	0.565	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000846536427	672326150	/nfs/dbraw/zinc/32/61/50/672326150.db2.gz	KXTZECHBVSWUOR-NSHDSACASA-N	-1	0	323.374	0.849	20	30		DCEDRM
CCC(CC)(C(=O)[O-])C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000846708457	672339707	/nfs/dbraw/zinc/33/97/07/672339707.db2.gz	ARXLCOQUICCYQJ-VAWYXSNFSA-N	-1	0	323.349	0.520	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000846793025	672344300	/nfs/dbraw/zinc/34/43/00/672344300.db2.gz	NUQCYAKARZUCDM-RWMBFGLXSA-N	-1	0	313.398	0.766	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CC2CCOCC2)c1	ZINC000813985241	685351753	/nfs/dbraw/zinc/35/17/53/685351753.db2.gz	SEFDXDKQWLDQFZ-UHFFFAOYSA-N	-1	0	309.347	0.575	20	30		DCEDRM
CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820029408	685353242	/nfs/dbraw/zinc/35/32/42/685353242.db2.gz	AKEHZZNVLPPSTJ-ISVAXAHUSA-N	-1	0	313.310	0.157	20	30		DCEDRM
CCc1c[nH]c(=O)c(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1	ZINC000850930186	685370582	/nfs/dbraw/zinc/37/05/82/685370582.db2.gz	RONDOUSOKFNWFG-UHFFFAOYSA-N	-1	0	311.363	0.959	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000092480027	685108442	/nfs/dbraw/zinc/10/84/42/685108442.db2.gz	WQMZQZBDUCOZNX-UHFFFAOYSA-N	-1	0	311.315	0.166	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1c(C)nc2ncnn2c1C	ZINC000191246886	685154399	/nfs/dbraw/zinc/15/43/99/685154399.db2.gz	JFHDKTGPMUPEIT-UHFFFAOYSA-N	-1	0	317.349	0.773	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCO[C@H](C#N)C2)ccc1C(=O)[O-]	ZINC000385780221	685247451	/nfs/dbraw/zinc/24/74/51/685247451.db2.gz	MIRGJDODIQGDFM-SNVBAGLBSA-N	-1	0	310.331	0.606	20	30		DCEDRM
C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000967253249	689969022	/nfs/dbraw/zinc/96/90/22/689969022.db2.gz	GBANETGPLFHJEM-VHSXEESVSA-N	-1	0	307.354	0.299	20	30		DCEDRM
C[C@@H]1CC[C@H](NC(=O)c2cn[nH]n2)CN1C(=O)C#CC1CC1	ZINC001018248647	693068882	/nfs/dbraw/zinc/06/88/82/693068882.db2.gz	DBDQNMLANQTPER-PWSUYJOCSA-N	-1	0	301.350	0.327	20	30		DCEDRM
CC[C@@](COC)(NS(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC001609925964	1159826882	/nfs/dbraw/zinc/82/68/82/1159826882.db2.gz	HMYNNWPBJGRGJF-LBPRGKRZSA-N	-1	0	304.368	0.479	20	30		DCEDRM
C=CCCCC(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001569897594	1161306692	/nfs/dbraw/zinc/30/66/92/1161306692.db2.gz	GFOAMPVCJSFMCG-OAHLLOKOSA-N	-1	0	323.397	0.310	20	30		DCEDRM
C=CCCC(=O)NC[C@H]1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)O1	ZINC001570229469	1161506321	/nfs/dbraw/zinc/50/63/21/1161506321.db2.gz	BBARTADJLJPWDE-LLVKDONJSA-N	-1	0	321.381	0.326	20	30		DCEDRM
C=CCn1cccc1C(=O)NC/C=C\CNC(=O)CNC(=O)[O-]	ZINC001573378697	1163420084	/nfs/dbraw/zinc/42/00/84/1163420084.db2.gz	JKMSMDZEWBDWSF-ARJAWSKDSA-N	-1	0	320.349	0.344	20	30		DCEDRM
CC#CCCCC(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])[C@H]1C	ZINC001573385013	1163420119	/nfs/dbraw/zinc/42/01/19/1163420119.db2.gz	TUOFVHGUSQFEAW-NEPJUHHUSA-N	-1	0	309.366	0.553	20	30		DCEDRM
C[C@@H](NC(=O)[C@H](C)NC(=O)Nc1cc(CC#N)ccn1)C(=O)[O-]	ZINC001573551681	1163493193	/nfs/dbraw/zinc/49/31/93/1163493193.db2.gz	BJXIDCPZFMARGR-DTWKUNHWSA-N	-1	0	319.321	0.247	20	30		DCEDRM
C[C@@H](NC(=O)[C@@H](C)Nc1cc(C#N)nc(C2CC2)n1)C(=O)[O-]	ZINC001573559703	1163495721	/nfs/dbraw/zinc/49/57/21/1163495721.db2.gz	GWCYUHZWAPLXDP-HTQZYQBOSA-N	-1	0	303.322	0.615	20	30		DCEDRM
C[C@@H](NS(=O)(=O)CC1(CC#N)CC1)c1nc(C(=O)[O-])n[nH]1	ZINC001573580321	1163509258	/nfs/dbraw/zinc/50/92/58/1163509258.db2.gz	ZFRMIWBSXLTIIK-SSDOTTSWSA-N	-1	0	313.339	0.177	20	30		DCEDRM
CCCn1nccc1NC(=O)Cn1ncc(C(=O)[O-])c1C#N	ZINC001573765083	1163547101	/nfs/dbraw/zinc/54/71/01/1163547101.db2.gz	VEIGAKQFZFPQDQ-UHFFFAOYSA-N	-1	0	302.294	0.698	20	30		DCEDRM
CCc1nn(Cc2cc(C(=O)[O-])no2)c(=O)c(C#N)c1CC	ZINC001573840100	1163563859	/nfs/dbraw/zinc/56/38/59/1163563859.db2.gz	LJXQQINCCIKQFX-UHFFFAOYSA-N	-1	0	302.290	0.974	20	30		DCEDRM
CCn1cc(C#N)c(NC(=O)N[C@H]2C[C@H](CO)C2)c1C(=O)[O-]	ZINC001573845065	1163565268	/nfs/dbraw/zinc/56/52/68/1163565268.db2.gz	WADQPXXFTMEWCJ-CZMCAQCFSA-N	-1	0	306.322	0.970	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)NCc1[nH]cnc1C(=O)[O-]	ZINC001574012209	1163624323	/nfs/dbraw/zinc/62/43/23/1163624323.db2.gz	FIYWARYCHBRYKX-UHFFFAOYSA-N	-1	0	300.274	0.918	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO	ZINC001574113135	1163640218	/nfs/dbraw/zinc/64/02/18/1163640218.db2.gz	LSGSOFVATQUSHX-WCQYABFASA-N	-1	0	318.333	0.959	20	30		DCEDRM
Cc1cc(S(=O)(=O)NCc2[nH]cnc2C(=O)[O-])ccc1C#N	ZINC001574144686	1163647399	/nfs/dbraw/zinc/64/73/99/1163647399.db2.gz	QUCHLLQDSUYQFF-UHFFFAOYSA-N	-1	0	320.330	0.767	20	30		DCEDRM
Cc1onc(CC(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])c1C#N	ZINC001574208247	1163663213	/nfs/dbraw/zinc/66/32/13/1163663213.db2.gz	XPEPDCHWMOTDNO-CABZTGNLSA-N	-1	0	307.306	0.536	20	30		DCEDRM
N#CCc1cccc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)c1	ZINC001574241137	1163672695	/nfs/dbraw/zinc/67/26/95/1163672695.db2.gz	IDUKCQMTDGFCAI-QWHCGFSZSA-N	-1	0	303.318	0.453	20	30		DCEDRM
N#Cc1ccc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)cc1	ZINC001574248977	1163674329	/nfs/dbraw/zinc/67/43/29/1163674329.db2.gz	CQPVLXKWEDBHPK-ZYHUDNBSSA-N	-1	0	304.306	0.650	20	30		DCEDRM
N#Cc1cccc(OC2CCN(C(=O)[C@H](O)CC(=O)[O-])CC2)c1	ZINC001574250198	1163674771	/nfs/dbraw/zinc/67/47/71/1163674771.db2.gz	VBJDFFRVNHBAJE-CQSZACIVSA-N	-1	0	318.329	0.764	20	30		DCEDRM
C[C@@H]1Cc2n[nH]cc2CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001576386977	1164322580	/nfs/dbraw/zinc/32/25/80/1164322580.db2.gz	XJVFACDZMBDZRX-MRVPVSSYSA-N	-1	0	322.336	0.450	20	30		DCEDRM
CCCC=C[C@H](O)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001577393657	1164683792	/nfs/dbraw/zinc/68/37/92/1164683792.db2.gz	XKPMLGKXTTZCSS-ZJELKQJVSA-N	-1	0	302.298	0.117	20	30		DCEDRM
CCOC[C@H]1CCCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001578374745	1164990390	/nfs/dbraw/zinc/99/03/90/1164990390.db2.gz	QUAOIQGCWDKPFB-SNVBAGLBSA-N	-1	0	314.353	0.924	20	30		DCEDRM
CN(C[C@H]1CCCC[C@H]1O)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579065428	1165199343	/nfs/dbraw/zinc/19/93/43/1165199343.db2.gz	WPZJKCUXEORQFS-MWLCHTKSSA-N	-1	0	314.353	0.516	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NCC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001580346183	1165578905	/nfs/dbraw/zinc/57/89/05/1165578905.db2.gz	DKFZWGGMCMSJDR-KOLCDFICSA-N	-1	0	322.365	0.087	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC001580607129	1165654007	/nfs/dbraw/zinc/65/40/07/1165654007.db2.gz	QVXLIGYQKMUWMY-DTWKUNHWSA-N	-1	0	313.321	0.698	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1	ZINC001580768580	1165714781	/nfs/dbraw/zinc/71/47/81/1165714781.db2.gz	CLAPVBWVCAAUIK-MRVPVSSYSA-N	-1	0	324.308	0.233	20	30		DCEDRM
Cc1ccc(-c2nn[nH]n2)c(NCCN(C)C(=O)[C@@H](C)C#N)n1	ZINC001581121493	1165786545	/nfs/dbraw/zinc/78/65/45/1165786545.db2.gz	KBKBTIVUMFYMQE-VIFPVBQESA-N	-1	0	314.353	0.600	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001581137801	1165789462	/nfs/dbraw/zinc/78/94/62/1165789462.db2.gz	HTPSAJWDWUJULM-UHFFFAOYSA-N	-1	0	323.320	0.068	20	30		DCEDRM
Cc1cnc(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)s1	ZINC001581316321	1165812214	/nfs/dbraw/zinc/81/22/14/1165812214.db2.gz	JLZTXPIXIUSSNJ-UHFFFAOYSA-N	-1	0	315.322	0.408	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cc(C(F)F)[nH]n2)[n-]c1-c1nn[nH]n1	ZINC001581860770	1165894104	/nfs/dbraw/zinc/89/41/04/1165894104.db2.gz	SBQBWEGVTKPKGJ-UHFFFAOYSA-N	-1	0	320.223	0.374	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@H](CCO)CC2)nc1-c1nnn[n-]1	ZINC001581882077	1165900958	/nfs/dbraw/zinc/90/09/58/1165900958.db2.gz	KOLLFDSZUMXXJU-JTQLQIEISA-N	-1	0	314.353	0.517	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@](C)(C#N)CN(C)C)cc1C#N	ZINC001586904810	1166501261	/nfs/dbraw/zinc/50/12/61/1166501261.db2.gz	VXTYAOXBJYMARH-AWEZNQCLSA-N	-1	0	319.390	0.954	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)C(C)C	ZINC001588329111	1166524892	/nfs/dbraw/zinc/52/48/92/1166524892.db2.gz	YDGRCLSWRJGPQT-VIFPVBQESA-N	-1	0	306.351	0.198	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc2c(c1)C(=O)NCCO2)C(=O)[O-]	ZINC001588414806	1166550852	/nfs/dbraw/zinc/55/08/52/1166550852.db2.gz	ROEWJLDQJZRAEN-NSHDSACASA-N	-1	0	302.286	0.015	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001588500236	1166558505	/nfs/dbraw/zinc/55/85/05/1166558505.db2.gz	TVLPSIPDWJBDSN-ZDUSSCGKSA-N	-1	0	316.325	0.629	20	30		DCEDRM
C[C@H](C(=O)N1CCC(CC#N)CC1)n1cnc(-c2nnn[n-]2)n1	ZINC001588948853	1166622180	/nfs/dbraw/zinc/62/21/80/1166622180.db2.gz	NODDNUXBEBXSMW-SECBINFHSA-N	-1	0	315.341	0.171	20	30		DCEDRM
C[C@H](C(=O)Nc1ccc(C#N)cc1)n1cnc(-c2nnn[n-]2)n1	ZINC001589015968	1166628328	/nfs/dbraw/zinc/62/83/28/1166628328.db2.gz	SIYNYSMLPLUFTL-MRVPVSSYSA-N	-1	0	309.293	0.530	20	30		DCEDRM
C[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)n1cnc(-c2nnn[n-]2)n1	ZINC001589025712	1166628574	/nfs/dbraw/zinc/62/85/74/1166628574.db2.gz	BOANHFFMCKWNSA-KXUCPTDWSA-N	-1	0	316.325	0.645	20	30		DCEDRM
CC(C)(C)C[C@@H](O)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589119142	1166635207	/nfs/dbraw/zinc/63/52/07/1166635207.db2.gz	NSJQOFXKSCAVPX-MRVPVSSYSA-N	-1	0	302.342	0.737	20	30		DCEDRM
CC(C)(C)OC(=O)CNc1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001589156376	1166639905	/nfs/dbraw/zinc/63/99/05/1166639905.db2.gz	UMHFDRUFQRVXQK-UHFFFAOYSA-N	-1	0	302.298	0.282	20	30		DCEDRM
CC1(C)CC[C@H](Cn2c(N)nc(-c3nnn[n-]3)c2C#N)OC1	ZINC001590090471	1166770410	/nfs/dbraw/zinc/77/04/10/1166770410.db2.gz	JNLYBAZFYFOFEX-MRVPVSSYSA-N	-1	0	302.342	0.722	20	30		DCEDRM
CC1(C)CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCCO1	ZINC001590108844	1166776552	/nfs/dbraw/zinc/77/65/52/1166776552.db2.gz	KRJJNDZEUZSTQL-UHFFFAOYSA-N	-1	0	300.326	0.534	20	30		DCEDRM
C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1CC#N	ZINC001590171064	1166798021	/nfs/dbraw/zinc/79/80/21/1166798021.db2.gz	FWOJIHCPCXJSMX-VHSXEESVSA-N	-1	0	314.353	0.301	20	30		DCEDRM
C[C@@H]1N(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCOC1(C)C	ZINC001590331896	1166868520	/nfs/dbraw/zinc/86/85/20/1166868520.db2.gz	SXBSBVLJQYUIFF-QMMMGPOBSA-N	-1	0	300.326	0.532	20	30		DCEDRM
CC[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCS1	ZINC001590525019	1166932963	/nfs/dbraw/zinc/93/29/63/1166932963.db2.gz	TYHSURHVNCXFGX-QMMMGPOBSA-N	-1	0	302.367	0.860	20	30		DCEDRM
CCN(CCC#N)C(=O)Cn1cc(C)cc(-c2nnn[n-]2)c1=O	ZINC001590690874	1166973973	/nfs/dbraw/zinc/97/39/73/1166973973.db2.gz	KVQXVCYPKVQVSP-UHFFFAOYSA-N	-1	0	315.337	0.099	20	30		DCEDRM
CN([C@H]1CCC[C@H]1C#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001591037562	1167088675	/nfs/dbraw/zinc/08/86/75/1167088675.db2.gz	XVUKRYIKZRWJRT-IUCAKERBSA-N	-1	0	322.350	0.772	20	30		DCEDRM
CO[C@H](CC(C)C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001591327464	1167217511	/nfs/dbraw/zinc/21/75/11/1167217511.db2.gz	RMWJZQGDXMGIOR-MRVPVSSYSA-N	-1	0	304.314	0.461	20	30		DCEDRM
Cc1cc(-c2nn[nH]n2)cnc1C([O-])=C(C#N)c1ccncn1	ZINC001591873069	1167403182	/nfs/dbraw/zinc/40/31/82/1167403182.db2.gz	CJEIENXMXGFOAE-JTQLQIEISA-N	-1	0	306.289	0.850	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1C[C@@H]1C[C@@H]2COC[C@H]2O1	ZINC001592335521	1167490529	/nfs/dbraw/zinc/49/05/29/1167490529.db2.gz	RWOQVSKIFOCEDK-WCABBAIRSA-N	-1	0	301.310	0.047	20	30		DCEDRM
N#CCCCCCC(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001592674865	1167596201	/nfs/dbraw/zinc/59/62/01/1167596201.db2.gz	LLEPONASILRYKH-UHFFFAOYSA-N	-1	0	303.330	0.048	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cn3c(n2)CCCC3)[n-]c1-c1nn[nH]n1	ZINC001592682109	1167600357	/nfs/dbraw/zinc/60/03/57/1167600357.db2.gz	PNAOMOXVMYFJJH-UHFFFAOYSA-N	-1	0	324.308	0.247	20	30		DCEDRM
N#Cc1ccccc1OCCn1ccc(-c2nnn[n-]2)cc1=O	ZINC001592701208	1167604985	/nfs/dbraw/zinc/60/49/85/1167604985.db2.gz	BFPJSZCZGXBZGY-UHFFFAOYSA-N	-1	0	308.301	0.979	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)c2cnccc2-c2nn[nH]n2)c1	ZINC001592700451	1167605684	/nfs/dbraw/zinc/60/56/84/1167605684.db2.gz	VTKDXDMIYRMJJO-UHFFFAOYSA-N	-1	0	307.273	0.857	20	30		DCEDRM
N#Cc1ncc(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)nc1-c1nnn[n-]1	ZINC001592710658	1167609292	/nfs/dbraw/zinc/60/92/92/1167609292.db2.gz	SSNSJOXARHDNTP-ATZCPNFKSA-N	-1	0	312.337	0.898	20	30		DCEDRM
C#CCOCCC(=O)N1CCC[C@@H]1c1n[nH]nc1C(=O)OCC	ZINC001595493544	1167972006	/nfs/dbraw/zinc/97/20/06/1167972006.db2.gz	WZUFHAQUVOQLJD-LLVKDONJSA-N	-1	0	320.349	0.685	20	30		DCEDRM
Cc1c(C(=O)[O-])cc(CNC(=O)C2(C#N)CCOCC2)n1C	ZINC001599987627	1168077896	/nfs/dbraw/zinc/07/78/96/1168077896.db2.gz	AXMRCLVEPYRCKP-UHFFFAOYSA-N	-1	0	305.334	0.968	20	30		DCEDRM
Cc1cc(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[nH]c1C(=O)[O-]	ZINC001600196878	1168135120	/nfs/dbraw/zinc/13/51/20/1168135120.db2.gz	YIOQPJMAXMAHOS-HZMBPMFUSA-N	-1	0	323.374	0.392	20	30		DCEDRM
Cc1nc2cc(C(=O)N(CC#N)CC(=O)[O-])ccc2c(=O)[nH]1	ZINC001600722794	1168263314	/nfs/dbraw/zinc/26/33/14/1168263314.db2.gz	HPNPBUKQEXTBQY-UHFFFAOYSA-N	-1	0	300.274	0.694	20	30		DCEDRM
Cc1nn(CCC(=O)[O-])c(C)c1C=NN1C(=O)[C@@H](C)N(C)C1=O	ZINC001600784577	1168295554	/nfs/dbraw/zinc/29/55/54/1168295554.db2.gz	RTOHEZQGPRKDAR-SNVBAGLBSA-N	-1	0	321.337	0.591	20	30		DCEDRM
Cn1c(NCCCCCCC(=O)[O-])c(C#N)c(=O)n(C)c1=O	ZINC001600922000	1168508825	/nfs/dbraw/zinc/50/88/25/1168508825.db2.gz	QFQWWVDWDDXLMI-UHFFFAOYSA-N	-1	0	308.338	0.403	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1	ZINC001601052011	1168577860	/nfs/dbraw/zinc/57/78/60/1168577860.db2.gz	IQBMUGXRKCPUKN-JTQLQIEISA-N	-1	0	302.352	0.186	20	30		DCEDRM
N#C[C@]1(F)CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C1	ZINC001601056936	1168578038	/nfs/dbraw/zinc/57/80/38/1168578038.db2.gz	FRXCLTFMXMKZMN-GFCCVEGCSA-N	-1	0	313.310	0.474	20	30		DCEDRM
N#C[C@H]1CCCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1	ZINC001601059105	1168579025	/nfs/dbraw/zinc/57/90/25/1168579025.db2.gz	BSJDNZGILMJZDX-VOMCLLRMSA-N	-1	0	307.350	0.508	20	30		DCEDRM
N#CCC1(CS(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1	ZINC001601062058	1168579345	/nfs/dbraw/zinc/57/93/45/1168579345.db2.gz	DPMLPQQVOICKAX-NXEZZACHSA-N	-1	0	302.352	0.089	20	30		DCEDRM
N#C[C@@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCO1	ZINC001601062618	1168579860	/nfs/dbraw/zinc/57/98/60/1168579860.db2.gz	IOJVFMJZWJJXJB-LLVKDONJSA-N	-1	0	321.289	0.783	20	30		DCEDRM
N#CC[C@@]1(O)CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)C1	ZINC001601062945	1168580060	/nfs/dbraw/zinc/58/00/60/1168580060.db2.gz	PEFARPCZFBINGH-LLVKDONJSA-N	-1	0	300.292	0.017	20	30		DCEDRM
N#CCCn1ccc(NC(=O)C(=O)NCCCCC(=O)[O-])n1	ZINC001601068836	1168580257	/nfs/dbraw/zinc/58/02/57/1168580257.db2.gz	SUURGEGJPDEHNP-UHFFFAOYSA-N	-1	0	307.310	0.106	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(=O)c2ccc(F)cc2o1	ZINC001601069594	1168580861	/nfs/dbraw/zinc/58/08/61/1168580861.db2.gz	OBEFWZSFNZDCSG-UHFFFAOYSA-N	-1	0	304.233	0.982	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC001601071218	1168581170	/nfs/dbraw/zinc/58/11/70/1168581170.db2.gz	WIZHENOALBCCPR-YUMQZZPRSA-N	-1	0	321.255	0.270	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(Cl)c1	ZINC001601077560	1168582211	/nfs/dbraw/zinc/58/22/11/1168582211.db2.gz	HFLUJKVZHWVQFV-SECBINFHSA-N	-1	0	318.738	0.130	20	30		DCEDRM
N#CCSc1cccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1	ZINC001601075421	1168582218	/nfs/dbraw/zinc/58/22/18/1168582218.db2.gz	MEKIUURDUPLBPB-PWSUYJOCSA-N	-1	0	306.343	0.962	20	30		DCEDRM
N#CCc1ccccc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001601078557	1168582925	/nfs/dbraw/zinc/58/29/25/1168582925.db2.gz	PSFFELQJUCWTIT-UHFFFAOYSA-N	-1	0	311.301	0.739	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001601082609	1168582974	/nfs/dbraw/zinc/58/29/74/1168582974.db2.gz	NVPCWMYOWZUEOW-UHFFFAOYSA-N	-1	0	307.281	0.408	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CC(=O)Nc2ccc(O)cc2)c1=O	ZINC001601086295	1168583293	/nfs/dbraw/zinc/58/32/93/1168583293.db2.gz	IMEMANXZGNJNQQ-UHFFFAOYSA-N	-1	0	313.269	0.762	20	30		DCEDRM
N#Cc1cc(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)c[nH]1	ZINC001601085757	1168583630	/nfs/dbraw/zinc/58/36/30/1168583630.db2.gz	KQOIQEKLLHYQIZ-UHFFFAOYSA-N	-1	0	314.305	0.028	20	30		DCEDRM
N#Cc1ccc(C(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)[O-])nn2)o1	ZINC001601094148	1168583898	/nfs/dbraw/zinc/58/38/98/1168583898.db2.gz	HPLSRUJSRZLSSU-MWLCHTKSSA-N	-1	0	318.245	0.238	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])c(F)c1	ZINC001601093967	1168584039	/nfs/dbraw/zinc/58/40/39/1168584039.db2.gz	KIZKRHHXXFSPNO-LLVKDONJSA-N	-1	0	308.265	0.643	20	30		DCEDRM
N#Cc1cc(N2C[C@H](O)C[C@H]2C(=O)[O-])ncc1Br	ZINC001601090292	1168584109	/nfs/dbraw/zinc/58/41/09/1168584109.db2.gz	SLQVSCWHAQUWRQ-APPZFPTMSA-N	-1	0	312.123	0.740	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)OCC(=O)CCC(=O)[O-])cc1	ZINC001601092039	1168584208	/nfs/dbraw/zinc/58/42/08/1168584208.db2.gz	KPTJDHZPOSYAPA-UHFFFAOYSA-N	-1	0	318.285	0.265	20	30		DCEDRM
N#Cc1cc(NC(=O)NCCn2cc(C(=O)[O-])nn2)ccn1	ZINC001601090489	1168584224	/nfs/dbraw/zinc/58/42/24/1168584224.db2.gz	DYGUKCORQYBAPT-UHFFFAOYSA-N	-1	0	301.266	0.065	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N[C@H](CF)C(=O)[O-])ccc1Cl	ZINC001601091134	1168584240	/nfs/dbraw/zinc/58/42/40/1168584240.db2.gz	PFNAWDNIUCRXAF-SECBINFHSA-N	-1	0	306.702	0.913	20	30		DCEDRM
N#Cc1cc(NCCC(=O)NCCC(=O)[O-])c([N+](=O)[O-])s1	ZINC001601090648	1168584260	/nfs/dbraw/zinc/58/42/60/1168584260.db2.gz	LOAJINQEOSLJRN-UHFFFAOYSA-N	-1	0	312.307	0.921	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)[C@@H]2CCCS2(=O)=O)C(=O)[O-])cc1	ZINC001601095775	1168584585	/nfs/dbraw/zinc/58/45/85/1168584585.db2.gz	BZPLQQZPECDUEB-NWDGAFQWSA-N	-1	0	323.326	0.804	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cc1	ZINC001601098623	1168584918	/nfs/dbraw/zinc/58/49/18/1168584918.db2.gz	SPJIHEYICLDEJC-MRXNPFEDSA-N	-1	0	313.313	0.933	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1	ZINC001601103811	1168585407	/nfs/dbraw/zinc/58/54/07/1168585407.db2.gz	PCAZBRFESUJVRI-LBPRGKRZSA-N	-1	0	319.292	0.503	20	30		DCEDRM
N#Cc1ccc(Cl)c(NC(=O)C(=O)NC2(C(=O)[O-])CC2)c1	ZINC001601103192	1168585410	/nfs/dbraw/zinc/58/54/10/1168585410.db2.gz	HYYFMIUNSXXSKE-UHFFFAOYSA-N	-1	0	307.693	0.884	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC2=CCCOC2)c(C(=O)[O-])c1	ZINC001601111526	1168586720	/nfs/dbraw/zinc/58/67/20/1168586720.db2.gz	IFKUGTSAMFDVDF-UHFFFAOYSA-N	-1	0	322.342	0.881	20	30		DCEDRM
N#Cc1cccc(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC001601122303	1168587994	/nfs/dbraw/zinc/58/79/94/1168587994.db2.gz	HYQWXLYEFFJECO-UHFFFAOYSA-N	-1	0	315.329	0.498	20	30		DCEDRM
N#Cc1cnc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)c(Cl)c1	ZINC001601128973	1168589714	/nfs/dbraw/zinc/58/97/14/1168589714.db2.gz	GHCIWUKRWBRFLU-ZDUSSCGKSA-N	-1	0	309.709	0.970	20	30		DCEDRM
N#Cc1csc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)c1	ZINC001601130955	1168591180	/nfs/dbraw/zinc/59/11/80/1168591180.db2.gz	NMXMEIRKEGPYKI-SECBINFHSA-N	-1	0	308.315	0.852	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001601129544	1168591539	/nfs/dbraw/zinc/59/15/39/1168591539.db2.gz	JAIPINKYURTHMY-VIFPVBQESA-N	-1	0	307.331	0.881	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1N	ZINC001601131510	1168591904	/nfs/dbraw/zinc/59/19/04/1168591904.db2.gz	CSSGYLKBKNTEQL-VHSXEESVSA-N	-1	0	306.322	0.771	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC001601135273	1168592323	/nfs/dbraw/zinc/59/23/23/1168592323.db2.gz	MYRBQDOHBXLPQC-OCCSQVGLSA-N	-1	0	321.358	0.971	20	30		DCEDRM
N#Cc1nccc(NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1	ZINC001601133970	1168592464	/nfs/dbraw/zinc/59/24/64/1168592464.db2.gz	AQJFGVARGXIDFK-RKDXNWHRSA-N	-1	0	301.306	0.130	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001601135434	1168592702	/nfs/dbraw/zinc/59/27/02/1168592702.db2.gz	VYGJNOJPBLBTCW-YTWAJWBKSA-N	-1	0	321.358	0.731	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NCCC(=O)N1CCOCC1	ZINC001601133706	1168592739	/nfs/dbraw/zinc/59/27/39/1168592739.db2.gz	YDGUVXIRPFAFEM-UHFFFAOYSA-N	-1	0	304.306	0.312	20	30		DCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001601223760	1168666084	/nfs/dbraw/zinc/66/60/84/1168666084.db2.gz	LFCHSRWTEFHHAC-IINYFYTJSA-N	-1	0	303.270	0.125	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccnn1CC1CCC1	ZINC001602678496	1169157522	/nfs/dbraw/zinc/15/75/22/1169157522.db2.gz	AFLVUXZWBVFQSW-UHFFFAOYSA-N	-1	0	318.333	0.168	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C	ZINC001602684228	1169158415	/nfs/dbraw/zinc/15/84/15/1169158415.db2.gz	ZVHVUULGJHLVRC-GFCCVEGCSA-N	-1	0	311.359	0.664	20	30		DCEDRM
C#CC[C@@H](NC(=O)CNC(=O)NCc1ccc(F)cc1)C(=O)[O-]	ZINC001602687370	1169158685	/nfs/dbraw/zinc/15/86/85/1169158685.db2.gz	MHFGQIONZHQUCI-GFCCVEGCSA-N	-1	0	321.308	0.218	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc[nH]c(=O)c1Br)C(=O)[O-]	ZINC001602693601	1169163077	/nfs/dbraw/zinc/16/30/77/1169163077.db2.gz	ZBHBLKGQGRSBCJ-SSDOTTSWSA-N	-1	0	313.107	0.756	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)OC	ZINC001602698702	1169163699	/nfs/dbraw/zinc/16/36/99/1169163699.db2.gz	RWJNQLRQDZLZJX-MRVPVSSYSA-N	-1	0	315.303	0.129	20	30		DCEDRM
C#CCC1(O)CCN(C(=O)Nc2ccc(C(=O)[O-])nn2)CC1	ZINC001602699929	1169164957	/nfs/dbraw/zinc/16/49/57/1169164957.db2.gz	MTZDQAYCAATDCR-UHFFFAOYSA-N	-1	0	304.306	0.557	20	30		DCEDRM
C#CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CCN(C(=O)C2CC2)CC1	ZINC001602711368	1169165925	/nfs/dbraw/zinc/16/59/25/1169165925.db2.gz	FNXCBZWDWMJSNZ-KGLIPLIRSA-N	-1	0	318.373	0.570	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H](CC)Nc1ccnc(C(=O)[O-])n1	ZINC001602701517	1169166034	/nfs/dbraw/zinc/16/60/34/1169166034.db2.gz	MEOYCNOVQQNCBV-LLVKDONJSA-N	-1	0	304.350	0.707	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC001602701650	1169166601	/nfs/dbraw/zinc/16/66/01/1169166601.db2.gz	RMTCOCZDJDDLTQ-VIFPVBQESA-N	-1	0	315.347	0.593	20	30		DCEDRM
C#CCN(C(=O)c1cc(C(=O)[O-])ccn1)[C@@H]1CCS(=O)(=O)C1	ZINC001602713679	1169167291	/nfs/dbraw/zinc/16/72/91/1169167291.db2.gz	OPONWZCGKPYMBF-LLVKDONJSA-N	-1	0	322.342	0.042	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001602715847	1169167481	/nfs/dbraw/zinc/16/74/81/1169167481.db2.gz	VEAGWQZLYILYJC-UHFFFAOYSA-N	-1	0	304.327	0.788	20	30		DCEDRM
C#CCN(C(=O)C(=O)NCc1ccccc1CC(=O)[O-])C(C)C	ZINC001602711826	1169168291	/nfs/dbraw/zinc/16/82/91/1169168291.db2.gz	VTZKJVZQFJMLEI-UHFFFAOYSA-N	-1	0	316.357	0.800	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001602726442	1169174511	/nfs/dbraw/zinc/17/45/11/1169174511.db2.gz	PXQXUHRYIMEGRK-ZJUUUORDSA-N	-1	0	306.322	0.130	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)NCC(=O)[O-])c1	ZINC001602742166	1169175741	/nfs/dbraw/zinc/17/57/41/1169175741.db2.gz	GSJMOLDKYUEJGA-LLVKDONJSA-N	-1	0	317.345	0.128	20	30		DCEDRM
C#Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cc1	ZINC001602738435	1169176554	/nfs/dbraw/zinc/17/65/54/1169176554.db2.gz	APNOCOJYTQNHOU-ZDUSSCGKSA-N	-1	0	315.329	0.865	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)n1	ZINC001602738054	1169176681	/nfs/dbraw/zinc/17/66/81/1169176681.db2.gz	HBAHLJLLMZTCDA-MRVWCRGKSA-N	-1	0	319.361	0.743	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCO)CCOCC(F)(F)F	ZINC001602774257	1169182524	/nfs/dbraw/zinc/18/25/24/1169182524.db2.gz	CVQQRMWDSFLVCZ-UHFFFAOYSA-N	-1	0	313.272	0.807	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@H](C(=O)OCC)C2(COC2)C1	ZINC001602776218	1169182632	/nfs/dbraw/zinc/18/26/32/1169182632.db2.gz	NYBLILMUCBQIFI-LLVKDONJSA-N	-1	0	311.334	0.446	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001602787411	1169183308	/nfs/dbraw/zinc/18/33/08/1169183308.db2.gz	DXDLXOWADWCUSW-SNVBAGLBSA-N	-1	0	322.321	0.259	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)c1ncc(C(=O)[O-])cn1	ZINC001602809453	1169186251	/nfs/dbraw/zinc/18/62/51/1169186251.db2.gz	GQMXVWCGXANKRR-BONVTDFDSA-N	-1	0	322.365	0.443	20	30		DCEDRM
C=CC[C@@H](OC(=O)c1ccc2c(c1)C(=O)NCCO2)C(=O)[O-]	ZINC001602848954	1169192499	/nfs/dbraw/zinc/19/24/99/1169192499.db2.gz	IHUDCPRBABLBQS-GFCCVEGCSA-N	-1	0	305.286	0.995	20	30		DCEDRM
C=CCN1CC[C@H](OC(=O)c2cc(-c3nn[nH]n3)oc2C)C1=O	ZINC001602863625	1169194515	/nfs/dbraw/zinc/19/45/15/1169194515.db2.gz	ZXKPTCIGFFWMGB-JTQLQIEISA-N	-1	0	317.305	0.712	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)C(=O)[O-]	ZINC001602872831	1169196520	/nfs/dbraw/zinc/19/65/20/1169196520.db2.gz	WPOCSHDJYHNMQN-NSHDSACASA-N	-1	0	316.321	0.801	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1coc(S(N)(=O)=O)c1)C(=O)[O-]	ZINC001602872744	1169196796	/nfs/dbraw/zinc/19/67/96/1169196796.db2.gz	NLSXTTJGTCEITC-SECBINFHSA-N	-1	0	316.335	0.466	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-]	ZINC001602863919	1169196866	/nfs/dbraw/zinc/19/68/66/1169196866.db2.gz	VIQTULIDNRIZEO-MNOVXSKESA-N	-1	0	303.380	0.737	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC001602880465	1169197570	/nfs/dbraw/zinc/19/75/70/1169197570.db2.gz	OASZSODRKRDCEF-LBPRGKRZSA-N	-1	0	304.412	0.763	20	30		DCEDRM
C=CCOCC(=O)N1[C@@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-]	ZINC001602906522	1169201887	/nfs/dbraw/zinc/20/18/87/1169201887.db2.gz	JHWHWVHEMIQMAX-NXEZZACHSA-N	-1	0	316.379	0.070	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccncc1C(=O)[O-]	ZINC001602902101	1169202236	/nfs/dbraw/zinc/20/22/36/1169202236.db2.gz	OOJAOVJRZAIHCJ-QMMMGPOBSA-N	-1	0	321.289	0.337	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C)C(=O)[O-]	ZINC001602910217	1169202576	/nfs/dbraw/zinc/20/25/76/1169202576.db2.gz	QUIYTBDBSCSHOE-JIMOISOXSA-N	-1	0	307.350	0.848	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(F)F)ncn1)C(=O)[O-]	ZINC001602908933	1169202867	/nfs/dbraw/zinc/20/28/67/1169202867.db2.gz	IPBFCKSKRQGLPW-VIFPVBQESA-N	-1	0	301.249	0.800	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C(=O)OC)n1C)C(=O)[O-]	ZINC001602913459	1169205039	/nfs/dbraw/zinc/20/50/39/1169205039.db2.gz	QSIHACYSIJBAKF-SECBINFHSA-N	-1	0	310.306	0.197	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC001602924651	1169207046	/nfs/dbraw/zinc/20/70/46/1169207046.db2.gz	AAAOPNKMKVZBNZ-ONEGZZNKSA-N	-1	0	313.331	0.708	20	30		DCEDRM
C=CCONC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001602920714	1169207488	/nfs/dbraw/zinc/20/74/88/1169207488.db2.gz	SUJPQTBAUFCJDG-UHFFFAOYSA-N	-1	0	307.306	0.669	20	30		DCEDRM
C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602932291	1169211214	/nfs/dbraw/zinc/21/12/14/1169211214.db2.gz	NLLZWWDMDOFABB-GHMZBOCLSA-N	-1	0	308.338	0.463	20	30		DCEDRM
C=CCn1c(CCCC#N)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001602935469	1169212013	/nfs/dbraw/zinc/21/20/13/1169212013.db2.gz	MMTQBVHMMNBLBM-NEPJUHHUSA-N	-1	0	319.365	0.989	20	30		DCEDRM
C=CCn1c(C[S@](C)=O)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001602935583	1169212448	/nfs/dbraw/zinc/21/24/48/1169212448.db2.gz	PVDYINGAVWWDID-QDXVKYEASA-N	-1	0	312.395	0.500	20	30		DCEDRM
C=CCn1c(N)nnc1SCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC001602936814	1169212767	/nfs/dbraw/zinc/21/27/67/1169212767.db2.gz	FOFHRYQDQIPZDF-VIFPVBQESA-N	-1	0	313.383	0.364	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCc2c(sc(N)c2-c2nn[nH]n2)C1	ZINC001602981225	1169224350	/nfs/dbraw/zinc/22/43/50/1169224350.db2.gz	BRNLCVHMNNPLLI-LURJTMIESA-N	-1	0	303.351	0.555	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC001603129512	1169250120	/nfs/dbraw/zinc/25/01/20/1169250120.db2.gz	JJJLXCGTKHHHGO-LURJTMIESA-N	-1	0	311.244	0.877	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC001603575769	1169328215	/nfs/dbraw/zinc/32/82/15/1169328215.db2.gz	HBHRSGYUKUZYER-YTWAJWBKSA-N	-1	0	300.380	0.955	20	30		DCEDRM
C[C@H](NC(=S)NN=Cc1nc(-c2nn[nH]n2)cs1)C1CC1	ZINC001603648000	1169341929	/nfs/dbraw/zinc/34/19/29/1169341929.db2.gz	BPMINSFJAQWLSO-LURJTMIESA-N	-1	0	322.423	0.920	20	30		DCEDRM
CC(C)CCN1C(=O)C[C@@H](N2CCC(C#N)(C(=O)[O-])CC2)C1=O	ZINC001603794725	1169395829	/nfs/dbraw/zinc/39/58/29/1169395829.db2.gz	WRRYEXSXAYFXKD-GFCCVEGCSA-N	-1	0	321.377	0.850	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001604274433	1169544188	/nfs/dbraw/zinc/54/41/88/1169544188.db2.gz	NRYNOJVHLWHXDE-RKDXNWHRSA-N	-1	0	303.330	0.027	20	30		DCEDRM
CCOC[C@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001604425891	1169590542	/nfs/dbraw/zinc/59/05/42/1169590542.db2.gz	JTWZMNDTDTWGDY-VIFPVBQESA-N	-1	0	300.326	0.391	20	30		DCEDRM
CC1(C)CN(C(=O)CN2CCC(C#N)(C(=O)[O-])CC2)CCO1	ZINC001604540163	1169612764	/nfs/dbraw/zinc/61/27/64/1169612764.db2.gz	SJHWLFNVTZQWBG-UHFFFAOYSA-N	-1	0	309.366	0.314	20	30		DCEDRM
C[C@]1(CCC(=O)[O-])NC(=O)N(Cc2ccnc(C#N)c2)C1=O	ZINC001604572940	1169620784	/nfs/dbraw/zinc/62/07/84/1169620784.db2.gz	XHQSLMVFKYIICG-CQSZACIVSA-N	-1	0	302.290	0.629	20	30		DCEDRM
C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1Nc1ncc(C(=O)[O-])cn1	ZINC001604766835	1169673972	/nfs/dbraw/zinc/67/39/72/1169673972.db2.gz	BTFMIEGSIHFIJA-GXFFZTMASA-N	-1	0	314.345	0.847	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(=O)[O-]	ZINC001604929300	1169751030	/nfs/dbraw/zinc/75/10/30/1169751030.db2.gz	VJKXOTHDSXKOOA-XPCVCDNBSA-N	-1	0	324.425	0.520	20	30		DCEDRM
CO[C@H]1C[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C12CCC2	ZINC001605025709	1169784165	/nfs/dbraw/zinc/78/41/65/1169784165.db2.gz	ZSYACEPFOSJRCC-ZJUUUORDSA-N	-1	0	312.337	0.898	20	30		DCEDRM
COC[C@@](C)(C#N)NC(=O)c1ccc(C)c(-c2nn[nH]n2)c1	ZINC001605041752	1169792079	/nfs/dbraw/zinc/79/20/79/1169792079.db2.gz	JAGXDQZZGVSBFR-CQSZACIVSA-N	-1	0	300.322	0.834	20	30		DCEDRM
CC[C@@H](C(=O)N(CC#N)CCC(=O)[O-])N1CCO[C@@H](CC)C1	ZINC001605172995	1169855965	/nfs/dbraw/zinc/85/59/65/1169855965.db2.gz	JJNLLKDVYBDLNK-STQMWFEESA-N	-1	0	311.382	0.703	20	30		DCEDRM
CCCC[C@H](Sc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)[O-]	ZINC001605251835	1169881287	/nfs/dbraw/zinc/88/12/87/1169881287.db2.gz	UQYQQSWVRCLIII-VIFPVBQESA-N	-1	0	311.363	0.691	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N(CC(=O)[O-])C1CCOCC1	ZINC001605437160	1169920747	/nfs/dbraw/zinc/92/07/47/1169920747.db2.gz	IWKILJCKEWIXNJ-UHFFFAOYSA-N	-1	0	319.383	0.032	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2cccc(C(=O)[O-])n2)c1=O	ZINC001605915073	1170025778	/nfs/dbraw/zinc/02/57/78/1170025778.db2.gz	DOYCCZVCUTWVCO-UHFFFAOYSA-N	-1	0	300.274	0.043	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1ccc(Cl)nn1	ZINC001606017331	1170050658	/nfs/dbraw/zinc/05/06/58/1170050658.db2.gz	FPWTZOXBVPHGIX-UHFFFAOYSA-N	-1	0	301.701	0.735	20	30		DCEDRM
CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nccnc1C#N	ZINC001606121713	1170082503	/nfs/dbraw/zinc/08/25/03/1170082503.db2.gz	ODPRPWGGXPQUGA-NXEZZACHSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CN(CCCNc1ccc(C#N)cn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001606122310	1170085438	/nfs/dbraw/zinc/08/54/38/1170085438.db2.gz	GOIHZERLDWLHPP-RYUDHWBXSA-N	-1	0	302.334	0.934	20	30		DCEDRM
CN(CCNC(=O)c1c[nH]c(C#N)c1)c1ccnc(C(=O)[O-])n1	ZINC001606130417	1170088570	/nfs/dbraw/zinc/08/85/70/1170088570.db2.gz	AWMCAHACLGJZIL-UHFFFAOYSA-N	-1	0	314.305	0.241	20	30		DCEDRM
Cn1cc2c(n1)CCC[C@@H]2Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001606246651	1170135380	/nfs/dbraw/zinc/13/53/80/1170135380.db2.gz	XETHUBVAIZAVHK-VIFPVBQESA-N	-1	0	322.336	0.751	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC001606344047	1170163276	/nfs/dbraw/zinc/16/32/76/1170163276.db2.gz	WLXFRIRIEYWSBI-FZMZJTMJSA-N	-1	0	316.296	0.364	20	30		DCEDRM
N#CC1(COC(=O)COc2cccc(-c3nn[nH]n3)c2)COC1	ZINC001606343983	1170164225	/nfs/dbraw/zinc/16/42/25/1170164225.db2.gz	VRQKYDFCGIMETG-UHFFFAOYSA-N	-1	0	315.289	0.329	20	30		DCEDRM
COC(=O)C1(C#N)CCN(c2nc(C)cc(C(=O)[O-])n2)CC1	ZINC001606346034	1170165858	/nfs/dbraw/zinc/16/58/58/1170165858.db2.gz	CBKSIWFLRKBXQS-UHFFFAOYSA-N	-1	0	304.306	0.766	20	30		DCEDRM
N#Cc1nc(NC(=O)c2c(F)cccc2F)[n-]c1-c1nn[nH]n1	ZINC001606355822	1170168746	/nfs/dbraw/zinc/16/87/46/1170168746.db2.gz	QJQUJIRWKPMBJT-UHFFFAOYSA-N	-1	0	316.231	0.992	20	30		DCEDRM
N#Cc1nc(NC(=O)c2c[nH]cc2C2CC2)[n-]c1-c1nn[nH]n1	ZINC001606355486	1170169255	/nfs/dbraw/zinc/16/92/55/1170169255.db2.gz	DVHAMIMKEVJIJN-UHFFFAOYSA-N	-1	0	309.293	0.919	20	30		DCEDRM
N#Cc1ccc(CC(=O)Cn2cccc(-c3nnn[n-]3)c2=O)cc1	ZINC001606368113	1170171889	/nfs/dbraw/zinc/17/18/89/1170171889.db2.gz	SBBKSQVVUPCTCO-UHFFFAOYSA-N	-1	0	320.312	0.712	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1c(C#N)cccc1[N+](=O)[O-]	ZINC001606384722	1170176684	/nfs/dbraw/zinc/17/66/84/1170176684.db2.gz	DFZVVQFYLRAEQX-UHFFFAOYSA-N	-1	0	321.260	0.763	20	30		DCEDRM
N#Cc1ncc(N2CCCC[C@H]2CCO)nc1-c1nnn[n-]1	ZINC001606396963	1170182842	/nfs/dbraw/zinc/18/28/42/1170182842.db2.gz	FDVGQWFIJHOZML-VIFPVBQESA-N	-1	0	300.326	0.270	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)C[C@@H]1C(=O)[O-]	ZINC001606418194	1170192930	/nfs/dbraw/zinc/19/29/30/1170192930.db2.gz	LSVKFMGJUMGJBQ-STQMWFEESA-N	-1	0	316.313	0.433	20	30		DCEDRM
COC(=O)C[C@@H](OC(=O)[C@H](C)Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC001606477422	1170217697	/nfs/dbraw/zinc/21/76/97/1170217697.db2.gz	VUTGHYOIHUUGAX-JOYOIKCWSA-N	-1	0	321.285	0.885	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CN(CCC#N)CCC#N	ZINC001606538091	1170231091	/nfs/dbraw/zinc/23/10/91/1170231091.db2.gz	GNHOUPFCWGYGAP-UHFFFAOYSA-N	-1	0	305.294	0.455	20	30		DCEDRM
COc1c(NC(=O)N[C@@H]2CCCN(O)C2=O)cccc1C(=O)[O-]	ZINC001607031182	1170361279	/nfs/dbraw/zinc/36/12/79/1170361279.db2.gz	DRKNBAOKJSXRGO-SNVBAGLBSA-N	-1	0	323.305	0.895	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001607064905	1170377537	/nfs/dbraw/zinc/37/75/37/1170377537.db2.gz	BQFQUYDETZGPEY-QWRGUYRKSA-N	-1	0	304.302	0.474	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC(CC#N)C1	ZINC001607143541	1170409881	/nfs/dbraw/zinc/40/98/81/1170409881.db2.gz	HEXVKQQCCZYISN-UHFFFAOYSA-N	-1	0	310.331	0.928	20	30		DCEDRM
COc1cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n(C)n1	ZINC001607177884	1170412435	/nfs/dbraw/zinc/41/24/35/1170412435.db2.gz	XSWOQXDNCANKNI-UHFFFAOYSA-N	-1	0	307.310	0.651	20	30		DCEDRM
COc1cccc([C@@H](C(=O)[O-])N2CCN(C(=O)CC#N)CC2)c1	ZINC001607311287	1170426474	/nfs/dbraw/zinc/42/64/74/1170426474.db2.gz	KQUDCPNMANVISU-HNNXBMFYSA-N	-1	0	317.345	0.879	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1C#N	ZINC001607857474	1170513424	/nfs/dbraw/zinc/51/34/24/1170513424.db2.gz	TWKXURZIJBXMJO-PJXYFTJBSA-N	-1	0	313.313	0.594	20	30		DCEDRM
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]3C(=O)[O-])CC2)o1	ZINC001607943055	1170530842	/nfs/dbraw/zinc/53/08/42/1170530842.db2.gz	GDKIQSJSRKZTER-LBPRGKRZSA-N	-1	0	318.333	0.757	20	30		DCEDRM
Cc1nc(N(C)CCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])ccc1C#N	ZINC001607961663	1170534269	/nfs/dbraw/zinc/53/42/69/1170534269.db2.gz	WGAVAPSJKQNRCA-QWHCGFSZSA-N	-1	0	316.361	0.877	20	30		DCEDRM
Cc1nc2ccccn2c(=O)c1CCN(CC#N)CC(=O)[O-]	ZINC001607973958	1170536886	/nfs/dbraw/zinc/53/68/86/1170536886.db2.gz	WHGCWURZMOASMH-UHFFFAOYSA-N	-1	0	300.318	0.456	20	30		DCEDRM
Cc1oc(-c2cnn(C)c2)nc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001608031741	1170554057	/nfs/dbraw/zinc/55/40/57/1170554057.db2.gz	JURBPKHYRIBFBP-UHFFFAOYSA-N	-1	0	317.305	0.824	20	30		DCEDRM
Cc1onc(CC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c1C#N	ZINC001608058391	1170562823	/nfs/dbraw/zinc/56/28/23/1170562823.db2.gz	JGQLIEOEALHXNG-ZUZCIYMTSA-N	-1	0	319.317	0.347	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1	ZINC001608176125	1170609276	/nfs/dbraw/zinc/60/92/76/1170609276.db2.gz	ULVSXFSVZBHTGM-QSJCVTFJSA-N	-1	0	323.324	0.066	20	30		DCEDRM
N#CC1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CCCC1	ZINC001608171711	1170609539	/nfs/dbraw/zinc/60/95/39/1170609539.db2.gz	GMDITIWHOIHTLG-MRXNPFEDSA-N	-1	0	321.377	0.458	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)NCCc2cccc(C(=O)[O-])c2)C1	ZINC001608181154	1170611012	/nfs/dbraw/zinc/61/10/12/1170611012.db2.gz	HKFJBPGFQVSUBA-INIZCTEOSA-N	-1	0	317.345	0.987	20	30		DCEDRM
N#CCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001608182055	1170611269	/nfs/dbraw/zinc/61/12/69/1170611269.db2.gz	ZFOZQMPQHWPXNL-UHFFFAOYSA-N	-1	0	313.291	0.875	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1CCN(CC(F)(F)F)C1	ZINC001608185101	1170611737	/nfs/dbraw/zinc/61/17/37/1170611737.db2.gz	CBJKFZPSFSRILN-SECBINFHSA-N	-1	0	307.272	0.697	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001608187077	1170612610	/nfs/dbraw/zinc/61/26/10/1170612610.db2.gz	LRGKWACCKMZJSS-UHFFFAOYSA-N	-1	0	303.318	0.431	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001608186898	1170612844	/nfs/dbraw/zinc/61/28/44/1170612844.db2.gz	GFJNZXAIDJLLKS-GFCCVEGCSA-N	-1	0	314.301	0.738	20	30		DCEDRM
N#Cc1cc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cs1	ZINC001608196517	1170614038	/nfs/dbraw/zinc/61/40/38/1170614038.db2.gz	DSWUKUALDSUYIV-OAHLLOKOSA-N	-1	0	321.402	0.981	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cn1	ZINC001608206604	1170614824	/nfs/dbraw/zinc/61/48/24/1170614824.db2.gz	WZSUTSXLVQGAGA-OLZOCXBDSA-N	-1	0	300.318	0.323	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC23CC(O)C3)c(C(=O)[O-])c1	ZINC001608210353	1170616487	/nfs/dbraw/zinc/61/64/87/1170616487.db2.gz	HVHSJNHKJRHOGW-VTGPFMDVSA-N	-1	0	322.342	0.448	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1	ZINC001608218060	1170616834	/nfs/dbraw/zinc/61/68/34/1170616834.db2.gz	CVVGMGWAPRRNHC-LJISPDSOSA-N	-1	0	314.341	0.956	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c1	ZINC001608217961	1170617208	/nfs/dbraw/zinc/61/72/08/1170617208.db2.gz	AKHGMOAVGFIPQA-ZYHUDNBSSA-N	-1	0	310.331	0.326	20	30		DCEDRM
N#Cc1cccc(NCCC(=O)NCCC(=O)[O-])c1[N+](=O)[O-]	ZINC001608218357	1170617311	/nfs/dbraw/zinc/61/73/11/1170617311.db2.gz	MZZUEQYUMBOIJG-UHFFFAOYSA-N	-1	0	306.278	0.859	20	30		DCEDRM
N#Cc1cnccc1NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001608222171	1170618009	/nfs/dbraw/zinc/61/80/09/1170618009.db2.gz	ACHUAWNDSIURAP-WDEREUQCSA-N	-1	0	300.318	0.157	20	30		DCEDRM
N#Cc1cnccc1N[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001608222517	1170618167	/nfs/dbraw/zinc/61/81/67/1170618167.db2.gz	TUEQZYZBMIHERI-BQUFFADESA-N	-1	0	314.345	0.403	20	30		DCEDRM
N#Cc1sccc1N1CCN(Cn2cnc(C(=O)[O-])n2)CC1	ZINC001608225289	1170619209	/nfs/dbraw/zinc/61/92/09/1170619209.db2.gz	TYWOSLLWIBIURT-UHFFFAOYSA-N	-1	0	318.362	0.689	20	30		DCEDRM
N#Cc1ncn(CC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)n1	ZINC001608225055	1170619426	/nfs/dbraw/zinc/61/94/26/1170619426.db2.gz	DCLOMENPWXITQL-NSHDSACASA-N	-1	0	305.338	0.547	20	30		DCEDRM
O=C([O-])c1nccc(N[C@@H]2C[C@H](CNC(=O)C#CC3CC3)C2)n1	ZINC001608277484	1170640724	/nfs/dbraw/zinc/64/07/24/1170640724.db2.gz	KUGVSJJALYOVEG-TXEJJXNPSA-N	-1	0	314.345	0.317	20	30		DCEDRM
O=C([O-])c1cc(C(=O)NCc2ccc(C(=O)NO)cc2)ccn1	ZINC001608484726	1170687861	/nfs/dbraw/zinc/68/78/61/1170687861.db2.gz	PMAGTFONZCKSBT-UHFFFAOYSA-N	-1	0	315.285	0.829	20	30		DCEDRM
O=C([O-])c1cc(C(=O)N[C@@H]2CCCN(O)C2=O)cc([N+](=O)[O-])c1	ZINC001608836631	1170764020	/nfs/dbraw/zinc/76/40/20/1170764020.db2.gz	LOYXDPXZBBDZGG-SNVBAGLBSA-N	-1	0	323.261	0.403	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC001609057698	1170794348	/nfs/dbraw/zinc/79/43/48/1170794348.db2.gz	DEBLNXKCHQDREW-SNVBAGLBSA-N	-1	0	320.276	0.323	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)C(C)C	ZINC001609054372	1170794879	/nfs/dbraw/zinc/79/48/79/1170794879.db2.gz	IGDCSVMOJFVNRL-RYUDHWBXSA-N	-1	0	319.365	0.981	20	30		DCEDRM
C=CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C	ZINC001609058554	1170794975	/nfs/dbraw/zinc/79/49/75/1170794975.db2.gz	GOBGHYBAZLUGDN-UHFFFAOYSA-N	-1	0	302.338	0.819	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cnc(C2CCCC2)nc1N)C(=O)[O-]	ZINC001609089875	1170805955	/nfs/dbraw/zinc/80/59/55/1170805955.db2.gz	VHJKANVUWCJQTM-NSHDSACASA-N	-1	0	302.334	0.923	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)OCC	ZINC001609320499	1170935612	/nfs/dbraw/zinc/93/56/12/1170935612.db2.gz	OISJOWVCFJWPDW-JTQLQIEISA-N	-1	0	319.379	0.669	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CNC(=O)C1CCCCC1)C(=O)[O-]	ZINC001609432280	1170974947	/nfs/dbraw/zinc/97/49/47/1170974947.db2.gz	LJHFXQGMUBQPSE-LBPRGKRZSA-N	-1	0	312.366	0.455	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-]	ZINC001609443023	1170978732	/nfs/dbraw/zinc/97/87/32/1170978732.db2.gz	OXZXIJADXCKMCC-LLVKDONJSA-N	-1	0	324.289	0.989	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cn(-c2ccccc2)nn1)C(=O)[O-]	ZINC001609442949	1170978886	/nfs/dbraw/zinc/97/88/86/1170978886.db2.gz	MCMRXQNAOOFVEP-CYBMUJFWSA-N	-1	0	316.317	0.653	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)N(C)c1ccccc1	ZINC001609445306	1170981659	/nfs/dbraw/zinc/98/16/59/1170981659.db2.gz	ATKCBAPGMWIHSU-UHFFFAOYSA-N	-1	0	322.332	0.906	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001609487172	1170995015	/nfs/dbraw/zinc/99/50/15/1170995015.db2.gz	FZRQTUSGHJFVCU-NEPJUHHUSA-N	-1	0	312.347	0.792	20	30		DCEDRM
CC#CCNC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC001609495613	1170998209	/nfs/dbraw/zinc/99/82/09/1170998209.db2.gz	CMAYSGIWHBTWPW-UHFFFAOYSA-N	-1	0	304.302	0.618	20	30		DCEDRM
C[C@@H](C(=O)N(C)C1(C(=O)[O-])CCCCC1)n1cnc(C#N)n1	ZINC001609631739	1171055351	/nfs/dbraw/zinc/05/53/51/1171055351.db2.gz	NFUGZCIPJZEHNV-JTQLQIEISA-N	-1	0	305.338	0.957	20	30		DCEDRM
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC001609687259	1171066886	/nfs/dbraw/zinc/06/68/86/1171066886.db2.gz	CJTPYHHLWAWUHJ-CJNGLKHVSA-N	-1	0	320.345	0.913	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(C#N)c1	ZINC001609835577	1171100173	/nfs/dbraw/zinc/10/01/73/1171100173.db2.gz	RHRXROCQNLPSCD-BXKDBHETSA-N	-1	0	301.302	0.818	20	30		DCEDRM
COC(=O)C1CCC(NC(=O)CSCC#N)(C(=O)[O-])CC1	ZINC001610169277	1171184729	/nfs/dbraw/zinc/18/47/29/1171184729.db2.gz	VYKXHCFAXHMVPI-UHFFFAOYSA-N	-1	0	314.363	0.546	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(C#N)c(Cl)c1	ZINC001610184953	1171191513	/nfs/dbraw/zinc/19/15/13/1171191513.db2.gz	JXJYQBHUZDGPMS-UHFFFAOYSA-N	-1	0	310.693	0.911	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)c2ncc(C#N)cc2C)[C@@H](C(=O)[O-])C1	ZINC001610238428	1171203868	/nfs/dbraw/zinc/20/38/68/1171203868.db2.gz	WNWKVDJLKXFRGA-VXGBXAGGSA-N	-1	0	303.318	0.966	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C[C@H]1C(=O)[O-]	ZINC001610392528	1171229302	/nfs/dbraw/zinc/22/93/02/1171229302.db2.gz	DQVWGIURLARUQB-PSASIEDQSA-N	-1	0	319.292	0.815	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCO[C@@H](C#N)C2)c(C(=O)[O-])c1	ZINC001610512718	1171245164	/nfs/dbraw/zinc/24/51/64/1171245164.db2.gz	PIFRNKHWWHPGME-JTQLQIEISA-N	-1	0	310.331	0.606	20	30		DCEDRM
Cn1c(N[C@H](CC(C)(C)C)C(=O)[O-])c(C#N)c(=O)n(C)c1=O	ZINC001610598493	1171262456	/nfs/dbraw/zinc/26/24/56/1171262456.db2.gz	WDIZRMKWMNXIQY-SECBINFHSA-N	-1	0	308.338	0.257	20	30		DCEDRM
Cn1c(C=NNC(=S)NC[C@H]2CCCO2)ccc1C(=O)[O-]	ZINC001610597932	1171262571	/nfs/dbraw/zinc/26/25/71/1171262571.db2.gz	RWUQELQLSJBBOG-SNVBAGLBSA-N	-1	0	310.379	0.700	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001610620525	1171270165	/nfs/dbraw/zinc/27/01/65/1171270165.db2.gz	IRKNGAFJIORQDB-LLVKDONJSA-N	-1	0	316.379	0.576	20	30		DCEDRM
N#CC1(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CCCCC1	ZINC001610618804	1171270600	/nfs/dbraw/zinc/27/06/00/1171270600.db2.gz	KSBWPADMQRZVME-UHFFFAOYSA-N	-1	0	303.322	0.834	20	30		DCEDRM
N#Cc1cc(F)ccc1CN1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001610626267	1171271102	/nfs/dbraw/zinc/27/11/02/1171271102.db2.gz	PQGCPEKKALWFQJ-ZDUSSCGKSA-N	-1	0	305.309	0.863	20	30		DCEDRM
N#Cc1c(CN2CCN3C(=O)NC[C@H]3C2)cccc1C(=O)[O-]	ZINC001610622662	1171271392	/nfs/dbraw/zinc/27/13/92/1171271392.db2.gz	BALUXPPBJQAJRT-NSHDSACASA-N	-1	0	300.318	0.466	20	30		DCEDRM
N#Cc1c(COC(=O)C2CC(=O)NC(=O)C2)cccc1C(=O)[O-]	ZINC001610624882	1171271517	/nfs/dbraw/zinc/27/15/17/1171271517.db2.gz	HXVKFUBPFOUZAD-UHFFFAOYSA-N	-1	0	316.269	0.352	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H](O)c1ccc(Cl)cc1F	ZINC001610622043	1171271712	/nfs/dbraw/zinc/27/17/12/1171271712.db2.gz	AYEIXQIFGSFUNF-LLVKDONJSA-N	-1	0	300.673	0.949	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)NCCCCC(=O)[O-])cc1	ZINC001610628064	1171272177	/nfs/dbraw/zinc/27/21/77/1171272177.db2.gz	NGEGGIGZYOAOFN-UHFFFAOYSA-N	-1	0	303.318	0.546	20	30		DCEDRM
N#Cc1cccc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)n1	ZINC001610630577	1171272547	/nfs/dbraw/zinc/27/25/47/1171272547.db2.gz	VEUGXVOMQIYLIA-UHFFFAOYSA-N	-1	0	317.301	0.433	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2nc3ccccc3c(=O)[nH]2)c(C#N)c1=O	ZINC001612448910	1171362142	/nfs/dbraw/zinc/36/21/42/1171362142.db2.gz	ZDHZSYZVVWQKMV-UHFFFAOYSA-N	-1	0	324.300	0.206	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2nc3ccccc3[nH]2)c(=O)[n-]c1=O	ZINC001626976312	1171494523	/nfs/dbraw/zinc/49/45/23/1171494523.db2.gz	OVGYBFNCINPWIE-UHFFFAOYSA-N	-1	0	324.300	0.013	20	30		DCEDRM
C=CCO[N-]C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC001627703902	1171510498	/nfs/dbraw/zinc/51/04/98/1171510498.db2.gz	VXNKZNUYLCRHBL-UHFFFAOYSA-N	-1	0	305.246	0.425	20	30		DCEDRM
C#Cc1cccc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001628196494	1171520794	/nfs/dbraw/zinc/52/07/94/1171520794.db2.gz	KTHCNDODSWQKKK-UHFFFAOYSA-N	-1	0	308.297	0.831	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2ccc([N+](=O)[O-])cc2)c(C#N)c1=O	ZINC001639326318	1171831289	/nfs/dbraw/zinc/83/12/89/1171831289.db2.gz	WEVLMUUESWCKFS-UHFFFAOYSA-N	-1	0	315.289	0.508	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc3cc[nH]c3c2)c(=O)[n-]c1=O	ZINC001639640518	1171844819	/nfs/dbraw/zinc/84/48/19/1171844819.db2.gz	UABLWQZFSJZCLT-UHFFFAOYSA-N	-1	0	309.285	0.941	20	30		DCEDRM
Cc1cc(F)ncc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001641033392	1171902593	/nfs/dbraw/zinc/90/25/93/1171902593.db2.gz	AIKUGSSNLWIQLX-UHFFFAOYSA-N	-1	0	317.280	0.093	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cc3occc3[nH]2)c(=O)[n-]c1=O	ZINC001641971127	1171935230	/nfs/dbraw/zinc/93/52/30/1171935230.db2.gz	YXJHJJHWPWEZFA-UHFFFAOYSA-N	-1	0	313.273	0.325	20	30		DCEDRM
CC(C)OCCCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001641970281	1171935428	/nfs/dbraw/zinc/93/54/28/1171935428.db2.gz	FQPCVGUNWLSAAZ-UHFFFAOYSA-N	-1	0	308.338	0.142	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC(c3nc4ccccc4[nH]3)C2)c(C#N)c1=O	ZINC001642386392	1171943235	/nfs/dbraw/zinc/94/32/35/1171943235.db2.gz	SRWXTLHYDYLFMR-UHFFFAOYSA-N	-1	0	322.328	0.425	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)c2coc(S(N)(=O)=O)c2)c1	ZINC001642628828	1171952777	/nfs/dbraw/zinc/95/27/77/1171952777.db2.gz	VHOKJNDHCBRXQX-UHFFFAOYSA-N	-1	0	307.287	0.522	20	30		DCEDRM
COC[C@@H](NC(=O)c1ccc(C=NOC)cc1)c1nnn[n-]1	ZINC001644688859	1172015364	/nfs/dbraw/zinc/01/53/64/1172015364.db2.gz	JBKJUNPELYFTCK-LLVKDONJSA-N	-1	0	304.310	0.298	20	30		DCEDRM
CCC1(CC)[C@H](OC)C[C@H]1N(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001646634400	1172450255	/nfs/dbraw/zinc/45/02/55/1172450255.db2.gz	OUJZAJPCORRZSZ-VXGBXAGGSA-N	-1	0	320.393	0.975	20	30		DCEDRM
COC[C@](C)(O)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001647099603	1172673885	/nfs/dbraw/zinc/67/38/85/1172673885.db2.gz	KNPXXJGNDLOZRY-CYBMUJFWSA-N	-1	0	311.363	0.508	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@]2(F)CCOC2)cc1	ZINC001647187981	1172729531	/nfs/dbraw/zinc/72/95/31/1172729531.db2.gz	HUYNVAQPLCBWTN-ZDUSSCGKSA-N	-1	0	312.322	0.633	20	30		DCEDRM
CO[C@@]1(C)C[C@@H](N(C)c2[n-]c(=O)n(C)c(=O)c2C#N)C1(C)C	ZINC001647632035	1173007526	/nfs/dbraw/zinc/00/75/26/1173007526.db2.gz	SUJXXMLBBJUUKF-BMIGLBTASA-N	-1	0	306.366	0.585	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@H](C(F)(F)F)C2)c(C#N)c1=O	ZINC001647632360	1173008901	/nfs/dbraw/zinc/00/89/01/1173008901.db2.gz	VQEDRJFXPMDSBS-ZETCQYMHSA-N	-1	0	302.256	0.724	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2C[C@H](C)OC2=O)cc1C#N	ZINC001649868605	1173272410	/nfs/dbraw/zinc/27/24/10/1173272410.db2.gz	MXKIUYGFWFXWHV-RCOVLWMOSA-N	-1	0	307.331	0.815	20	30		DCEDRM
CN(c1[n-]c(=O)n(C)c(=O)c1C#N)C1CC(OC(C)(C)C)C1	ZINC001650231075	1173525708	/nfs/dbraw/zinc/52/57/08/1173525708.db2.gz	WUGJFJXNAMDWBU-UHFFFAOYSA-N	-1	0	306.366	0.728	20	30		DCEDRM
COc1cc(C=O)ccc1Oc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001651305786	1173746141	/nfs/dbraw/zinc/74/61/41/1173746141.db2.gz	NISGMEAGQRHRCA-UHFFFAOYSA-N	-1	0	301.258	0.559	20	30		DCEDRM
N#CCN[C@H]1CCC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC001690775591	1177322458	/nfs/dbraw/zinc/32/24/58/1177322458.db2.gz	WMAIHFVXSHDFSH-QWRGUYRKSA-N	-1	0	322.369	0.010	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@H](NCC#N)C(C)C)cc1=O	ZINC001698965207	1177738091	/nfs/dbraw/zinc/73/80/91/1177738091.db2.gz	CMMTXVIIESSZRX-AWEZNQCLSA-N	-1	0	321.425	0.629	20	30		DCEDRM
C#CCOCCC(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001701191506	1178951683	/nfs/dbraw/zinc/95/16/83/1178951683.db2.gz	UPOWPZMZSFVXIN-JTQLQIEISA-N	-1	0	322.365	0.040	20	30		DCEDRM
C#CCCCC(=O)N1CCC(NC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001703494175	1179563845	/nfs/dbraw/zinc/56/38/45/1179563845.db2.gz	JQRHZSQJIBRQHU-UHFFFAOYSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001704232631	1179940999	/nfs/dbraw/zinc/94/09/99/1179940999.db2.gz	NWHXDEAGATVLQC-UHFFFAOYSA-N	-1	0	323.353	0.073	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@H](CC)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001704665241	1180107601	/nfs/dbraw/zinc/10/76/01/1180107601.db2.gz	USIAWDLPJRFZKX-MRVPVSSYSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001717362090	1182800558	/nfs/dbraw/zinc/80/05/58/1182800558.db2.gz	ITZIABKNZVEPAS-LLVKDONJSA-N	-1	0	309.370	0.136	20	30		DCEDRM
COCC#CCN1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C	ZINC001725641258	1184925424	/nfs/dbraw/zinc/92/54/24/1184925424.db2.gz	ZTOPVGDXVNIPCL-OLZOCXBDSA-N	-1	0	320.393	0.656	20	30		DCEDRM
C#Cc1ccc(C(=O)NCC[C@@H](C)[NH2+]Cc2n[nH]c(=O)[n-]2)nc1	ZINC001731740133	1185464327	/nfs/dbraw/zinc/46/43/27/1185464327.db2.gz	WGWBXKUZSNTLIY-SNVBAGLBSA-N	-1	0	314.349	0.185	20	30		DCEDRM
CN(CCNC(=O)CC#Cc1ccccc1)Cc1n[nH]c(=O)[n-]1	ZINC001731796073	1185492874	/nfs/dbraw/zinc/49/28/74/1185492874.db2.gz	PXYWJYSGGMKUOY-UHFFFAOYSA-N	-1	0	313.361	0.500	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1	ZINC001733895199	1186489523	/nfs/dbraw/zinc/48/95/23/1186489523.db2.gz	SSQBHYQRNYNQQT-NWDGAFQWSA-N	-1	0	305.382	0.639	20	30		DCEDRM
CCCN(CCNC(=O)C#CC1CC1)C(=O)c1n[nH]c(C)c1[O-]	ZINC001737859708	1187418849	/nfs/dbraw/zinc/41/88/49/1187418849.db2.gz	DUGXVZSYGQQZNB-UHFFFAOYSA-N	-1	0	318.377	0.806	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001738884070	1187685620	/nfs/dbraw/zinc/68/56/20/1187685620.db2.gz	HJPQOJCOWNNHPG-SNVBAGLBSA-N	-1	0	324.381	0.233	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C2CC(NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001739129474	1187747303	/nfs/dbraw/zinc/74/73/03/1187747303.db2.gz	OMIFKFPGHSTYSB-UHFFFAOYSA-N	-1	0	316.361	0.556	20	30		DCEDRM
C=CCN1CC[C@H]1CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001754505835	1188871064	/nfs/dbraw/zinc/87/10/64/1188871064.db2.gz	UDFHIOHWNVCIAC-VIFPVBQESA-N	-1	0	307.316	0.820	20	30		DCEDRM
CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)C#CC1CC1	ZINC001755406431	1189104127	/nfs/dbraw/zinc/10/41/27/1189104127.db2.gz	FUFLYSQXDWHFCJ-NSHDSACASA-N	-1	0	303.366	0.250	20	30		DCEDRM
C[C@H]1[C@H](NC(=O)C#CC2CC2)CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001755716537	1189192668	/nfs/dbraw/zinc/19/26/68/1189192668.db2.gz	ATGVBNCPGZHGQD-CMPLNLGQSA-N	-1	0	303.366	0.393	20	30		DCEDRM
CN(CCC(F)(F)F)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001771843957	1190523913	/nfs/dbraw/zinc/52/39/13/1190523913.db2.gz	CWNMQTANHQLVMM-UHFFFAOYSA-N	-1	0	318.255	0.621	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cn1	ZINC001771868300	1190535516	/nfs/dbraw/zinc/53/55/16/1190535516.db2.gz	VMMFAGQZEAXTRN-UHFFFAOYSA-N	-1	0	312.251	0.704	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@]3(CNc4ccccc43)C2)c(C#N)c1=O	ZINC001772116680	1190611291	/nfs/dbraw/zinc/61/12/91/1190611291.db2.gz	CELIJKRXJCWNSE-KRWDZBQOSA-N	-1	0	323.356	0.519	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)c1[O-]	ZINC001059603981	749373719	/nfs/dbraw/zinc/37/37/19/749373719.db2.gz	MJFWURSNGWQITP-DTORHVGOSA-N	-1	0	313.321	0.458	20	30		DCEDRM
C[C@@H]1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CN1CC#N	ZINC001071875410	762196229	/nfs/dbraw/zinc/19/62/29/762196229.db2.gz	BRNLJNCLALEEBJ-MNOVXSKESA-N	-1	0	314.349	0.129	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1C	ZINC001071914410	762224812	/nfs/dbraw/zinc/22/48/12/762224812.db2.gz	PYKFTOSGHOTCLL-ONGXEEELSA-N	-1	0	322.365	0.203	20	30		DCEDRM
C#CCCCC(=O)N1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](C)C1	ZINC001071999396	762286660	/nfs/dbraw/zinc/28/66/60/762286660.db2.gz	NPZLYVZFEOHTEI-JQWIXIFHSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C#Cc1ccc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1	ZINC001129225185	754577278	/nfs/dbraw/zinc/57/72/78/754577278.db2.gz	POEPHSPJRZAWQL-UHFFFAOYSA-N	-1	0	307.313	0.369	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2(CNC(=O)C#CC3CC3)CCC2)c1[O-]	ZINC001062974254	755063230	/nfs/dbraw/zinc/06/32/30/755063230.db2.gz	SZBPTYAPWKKTCX-UHFFFAOYSA-N	-1	0	316.361	0.606	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)c2cncc(C#N)n2)c1[O-]	ZINC001113553496	762377519	/nfs/dbraw/zinc/37/75/19/762377519.db2.gz	KSRNRMJVLQWRPV-MRVPVSSYSA-N	-1	0	315.337	0.340	20	30		DCEDRM
O=C(C#CC1CC1)N1CCC[C@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001049466540	755276104	/nfs/dbraw/zinc/27/61/04/755276104.db2.gz	GCNDYOKUKVYIBB-QWHCGFSZSA-N	-1	0	315.377	0.489	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2ccc(C#N)cn2)c1[O-]	ZINC001097802571	755748466	/nfs/dbraw/zinc/74/84/66/755748466.db2.gz	ASBVUFVJOAAZJW-MRVPVSSYSA-N	-1	0	300.322	0.921	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)Nc2ccc(C#N)nc2)c1[O-]	ZINC001097803487	755749539	/nfs/dbraw/zinc/74/95/39/755749539.db2.gz	HKFQVCIQTMCKMH-QMMMGPOBSA-N	-1	0	300.322	0.921	20	30		DCEDRM
CC(C)(CO)CCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001137331636	756721107	/nfs/dbraw/zinc/72/11/07/756721107.db2.gz	NDNMUSSGTRKUIH-UHFFFAOYSA-N	-1	0	322.365	0.126	20	30		DCEDRM
N#Cc1cccnc1N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[nH]n1)C2	ZINC001055252911	756765196	/nfs/dbraw/zinc/76/51/96/756765196.db2.gz	JSDHODNWQWRTNG-MDZLAQPJSA-N	-1	0	309.333	0.611	20	30		DCEDRM
C=CC(C)(C)C(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-]	ZINC001057354159	757628752	/nfs/dbraw/zinc/62/87/52/757628752.db2.gz	OKBMCTGQWOURIY-UHFFFAOYSA-N	-1	0	324.381	0.187	20	30		DCEDRM
N#Cc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)[nH]1	ZINC001086344163	760064301	/nfs/dbraw/zinc/06/43/01/760064301.db2.gz	DMZAWSYSYIBACH-CZMCAQCFSA-N	-1	0	315.337	0.008	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1Nc1ccc(-c2nn[nH]n2)nc1	ZINC001169967823	760933627	/nfs/dbraw/zinc/93/36/27/760933627.db2.gz	AZOIXZYBUOWWNA-UHFFFAOYSA-N	-1	0	311.265	0.688	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CN(C)c2ccc(C#N)cn2)c1[O-]	ZINC001108901455	761129755	/nfs/dbraw/zinc/12/97/55/761129755.db2.gz	MRZYMVCBHPJYPO-SECBINFHSA-N	-1	0	314.349	0.945	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001109627168	761486531	/nfs/dbraw/zinc/48/65/31/761486531.db2.gz	CNHMYUWDHDNHOJ-AGIUHOORSA-N	-1	0	317.393	0.925	20	30		DCEDRM
C=CCC1(O)CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C1	ZINC001123943448	768084546	/nfs/dbraw/zinc/08/45/46/768084546.db2.gz	UJZBPTITPYNWAG-UHFFFAOYSA-N	-1	0	310.375	0.821	20	30		DCEDRM
C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001100021057	763223813	/nfs/dbraw/zinc/22/38/13/763223813.db2.gz	WXDJLWCKRHAQOO-QWRGUYRKSA-N	-1	0	323.397	0.164	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1ccnc(C)n1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170747217	765479841	/nfs/dbraw/zinc/47/98/41/765479841.db2.gz	LZPMBYNTPWLTJD-QMTHXVAHSA-N	-1	0	322.390	0.750	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H](C)Nc2cncc(C#N)n2)c1[O-]	ZINC001115671992	765787038	/nfs/dbraw/zinc/78/70/38/765787038.db2.gz	YUPSZAXNARDHGI-QMMMGPOBSA-N	-1	0	315.337	0.658	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	ZINC001118134509	766233595	/nfs/dbraw/zinc/23/35/95/766233595.db2.gz	SPTCUPXSFPLEJS-MNOVXSKESA-N	-1	0	304.368	0.057	20	30		DCEDRM
COc1cc(C(=O)[N-]c2c(C#N)cnc3c(C#N)cnn32)on1	ZINC001146932000	767569834	/nfs/dbraw/zinc/56/98/34/767569834.db2.gz	KSFFDXNXTWIKDY-UHFFFAOYSA-N	-1	0	309.245	0.722	20	30		DCEDRM
[NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)c1ccco1	ZINC001147107112	767656204	/nfs/dbraw/zinc/65/62/04/767656204.db2.gz	PFDYTWWNBKUAPE-VIFPVBQESA-N	-1	0	324.295	0.436	20	30		DCEDRM
CCn1nc(C2CC2)cc1C([O-])=C(C#N)C(=O)NCCOC	ZINC001122448071	767806594	/nfs/dbraw/zinc/80/65/94/767806594.db2.gz	JOBMWFQOQCJIEG-NSHDSACASA-N	-1	0	304.350	0.865	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)nn1C	ZINC001122532908	767826760	/nfs/dbraw/zinc/82/67/60/767826760.db2.gz	HAIRRETWLCUBCY-LLVKDONJSA-N	-1	0	304.350	0.773	20	30		DCEDRM
N#Cc1ncn(-c2ccccc2NC(=O)CCc2nnn[n-]2)n1	ZINC001141795906	768593706	/nfs/dbraw/zinc/59/37/06/768593706.db2.gz	YFGYNFPADQTKPM-UHFFFAOYSA-N	-1	0	309.293	0.223	20	30		DCEDRM
C=CCCO[N-]C(=O)c1cc(S(=O)(=O)CC)c[nH]c1=O	ZINC001149451680	768755633	/nfs/dbraw/zinc/75/56/33/768755633.db2.gz	DTJYTMXSRKBMIX-UHFFFAOYSA-N	-1	0	300.336	0.818	20	30		DCEDRM
COC(=O)Cc1ccc(OC(=O)[C@H](O)CCC(=O)[O-])cc1C#N	ZINC001231045042	769158649	/nfs/dbraw/zinc/15/86/49/769158649.db2.gz	ZSPVVRQVUZFNED-GFCCVEGCSA-N	-1	0	321.285	0.405	20	30		DCEDRM
CC[C@@H]1OC(C)=C(Oc2c(C(=O)OC)n[n-]c2C(=O)OC)C1=O	ZINC001234191373	769578806	/nfs/dbraw/zinc/57/88/06/769578806.db2.gz	ZOKSQGJOVYJKES-ZETCQYMHSA-N	-1	0	324.289	0.971	20	30		DCEDRM
C#C[C@@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)[C@H](CC)CCCC	ZINC001234377021	769640742	/nfs/dbraw/zinc/64/07/42/769640742.db2.gz	WYJVWBKWKOTESU-NXEZZACHSA-N	-1	0	306.314	0.306	20	30		DCEDRM
Nc1nonc1C(=Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)NO	ZINC001174502468	769759820	/nfs/dbraw/zinc/75/98/20/769759820.db2.gz	POBJTQGBCBUMPH-UHFFFAOYSA-N	-1	0	308.210	0.315	20	30		DCEDRM
C[C@@H](CCCCNCC#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001175614254	769936299	/nfs/dbraw/zinc/93/62/99/769936299.db2.gz	VSESPTJQMUYXRJ-NSHDSACASA-N	-1	0	316.365	0.424	20	30		DCEDRM
N#Cc1ncc(NC(=N)SCCS(=O)(=O)[O-])nc1C#N	ZINC001157325985	771587597	/nfs/dbraw/zinc/58/75/97/771587597.db2.gz	AOTLNOGEOGTIFH-UHFFFAOYSA-N	-1	0	312.336	0.188	20	30		DCEDRM
CCOC(=O)[C@@H]1COCCN1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244169	771763146	/nfs/dbraw/zinc/76/31/46/771763146.db2.gz	QXOUFOIRNSWNPW-ZDUSSCGKSA-N	-1	0	306.338	0.827	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1cc([N+](=O)[O-])cc[n+]1[O-]	ZINC001158967445	771840263	/nfs/dbraw/zinc/84/02/63/771840263.db2.gz	SJHDXRGXBWPQPZ-UHFFFAOYSA-N	-1	0	304.222	0.654	20	30		DCEDRM
CSc1ncc([O-])c(C(=O)N[C@@H](CC(C)C)C(=O)NO)n1	ZINC001185196927	771883059	/nfs/dbraw/zinc/88/30/59/771883059.db2.gz	JXOAGCNEMLWXCU-ZETCQYMHSA-N	-1	0	314.367	0.554	20	30		DCEDRM
C=CCCC(=O)[C@@H]1CCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001159779230	771956751	/nfs/dbraw/zinc/95/67/51/771956751.db2.gz	RLRMOQVZRYLZJI-NSHDSACASA-N	-1	0	322.365	0.996	20	30		DCEDRM
C#CCCN1CCC[C@H](Nc2nccnc2CC(=O)[O-])C1=O	ZINC001160900031	772135845	/nfs/dbraw/zinc/13/58/45/772135845.db2.gz	SQECISYRGWRLJK-NSHDSACASA-N	-1	0	302.334	0.530	20	30		DCEDRM
N=C(c1nonc1N)N(O)C(=O)c1cccc(-c2cc[nH]n2)c1	ZINC001188989217	772397818	/nfs/dbraw/zinc/39/78/18/772397818.db2.gz	YJEYGGJXMPPYPD-UHFFFAOYSA-N	-1	0	313.277	0.899	20	30		DCEDRM
N#C[C@@H](NC(=O)c1cc(Br)ccc1[S-])C(N)=O	ZINC001189968947	772564767	/nfs/dbraw/zinc/56/47/67/772564767.db2.gz	DSWXCYQKJSNQLV-SSDOTTSWSA-N	-1	0	314.164	0.845	20	30		DCEDRM
C=CCOC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ncc[n-]1	ZINC001190745022	772672296	/nfs/dbraw/zinc/67/22/96/772672296.db2.gz	ISANNLNPZZIKHH-JTQLQIEISA-N	-1	0	301.368	0.832	20	30		DCEDRM
CC(=O)N1CCN(c2ccncc2[N-]S(=O)(=O)CC#N)CC1	ZINC001192943096	772976485	/nfs/dbraw/zinc/97/64/85/772976485.db2.gz	JWEREHZAKUPSQK-UHFFFAOYSA-N	-1	0	323.378	0.015	20	30		DCEDRM
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ncc(C#N)nc1C	ZINC001193016740	772996540	/nfs/dbraw/zinc/99/65/40/772996540.db2.gz	GMDGTOQACDFFFD-UHFFFAOYSA-N	-1	0	312.351	0.740	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cncc(N2CC[NH+](C)CC2)c1	ZINC001193111463	773006592	/nfs/dbraw/zinc/00/65/92/773006592.db2.gz	IDNWFHSXLMHEJT-LLVKDONJSA-N	-1	0	309.395	0.487	20	30		DCEDRM
N#Cc1cc(C(=O)NCCC(=O)N2CCOCC2)ccc1[O-]	ZINC001193493895	773071342	/nfs/dbraw/zinc/07/13/42/773071342.db2.gz	HBGSKGZNAUEQAM-UHFFFAOYSA-N	-1	0	303.318	0.243	20	30		DCEDRM
CCOC(=O)[C@@H]1CN(C(=O)c2ccc([O-])c(C#N)c2)CCO1	ZINC001193505552	773076308	/nfs/dbraw/zinc/07/63/08/773076308.db2.gz	ZQIUVCZLIHLARC-ZDUSSCGKSA-N	-1	0	304.302	0.668	20	30		DCEDRM
C#CCCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001206885153	773120454	/nfs/dbraw/zinc/12/04/54/773120454.db2.gz	XIAPBQRSWZOXDZ-VXGBXAGGSA-N	-1	0	305.382	0.640	20	30		DCEDRM
Cc1nn(CC(C)C)c(C)c1C(=O)N(O)C(=N)c1nonc1N	ZINC001193865060	773121054	/nfs/dbraw/zinc/12/10/54/773121054.db2.gz	YCNWJQOARXJIOJ-UHFFFAOYSA-N	-1	0	321.341	0.978	20	30		DCEDRM
COC(=O)CCCCS(=O)(=O)[N-]c1onc(C)c1C#N	ZINC001196913062	773667916	/nfs/dbraw/zinc/66/79/16/773667916.db2.gz	IIYPSJCYCPUJCY-UHFFFAOYSA-N	-1	0	301.324	0.940	20	30		DCEDRM
N#C[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1Cl)C(N)=O	ZINC001197765795	773791621	/nfs/dbraw/zinc/79/16/21/773791621.db2.gz	JEKASCPSBLOALM-QMMMGPOBSA-N	-1	0	322.173	0.790	20	30		DCEDRM
C#CCNC(=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl	ZINC001198001274	773832811	/nfs/dbraw/zinc/83/28/11/773832811.db2.gz	IHSMOHGPSTYLJZ-UHFFFAOYSA-N	-1	0	304.693	0.350	20	30		DCEDRM
C=CCCOCC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001198324599	773900656	/nfs/dbraw/zinc/90/06/56/773900656.db2.gz	QZYWIHFYQLNYSM-UHFFFAOYSA-N	-1	0	309.370	0.137	20	30		DCEDRM
Cc1c(C(=O)[O-])cccc1-n1c(N)c(C#N)c(N)nc1=NC1CC1	ZINC001216658245	774127035	/nfs/dbraw/zinc/12/70/35/774127035.db2.gz	VYHBLGWSEVNQMJ-UHFFFAOYSA-N	-1	0	324.344	0.978	20	30		DCEDRM
C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C2	ZINC001110761504	774759793	/nfs/dbraw/zinc/75/97/93/774759793.db2.gz	ZDQHHGIXTNDIJB-JLLWLGSASA-N	-1	0	319.365	0.123	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1	ZINC001222452720	775357540	/nfs/dbraw/zinc/35/75/40/775357540.db2.gz	RVZJACUMYLLMPF-NEPJUHHUSA-N	-1	0	321.381	0.136	20	30		DCEDRM
COC(=O)c1ccc(C#N)cc1COC(=O)[C@H](O)CCC(=O)[O-]	ZINC001223766222	775515280	/nfs/dbraw/zinc/51/52/80/775515280.db2.gz	APRNCKZMBCUALW-GFCCVEGCSA-N	-1	0	321.285	0.614	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCCN1CCOCC1	ZINC001224870781	775615075	/nfs/dbraw/zinc/61/50/75/775615075.db2.gz	VAMCMEMZZJBLAI-ZDUSSCGKSA-N	-1	0	323.411	0.184	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncccc1[N+](=O)[O-]	ZINC001225593772	775698001	/nfs/dbraw/zinc/69/80/01/775698001.db2.gz	YIVWAELCKGKJSW-VIFPVBQESA-N	-1	0	318.307	0.828	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1[nH]c(=O)ncc1C=C	ZINC001227713858	776000640	/nfs/dbraw/zinc/00/06/40/776000640.db2.gz	OVCCJHBMHVXQQO-SNVBAGLBSA-N	-1	0	316.335	0.663	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(=O)cc(C)[nH]1	ZINC001228122270	776048627	/nfs/dbraw/zinc/04/86/27/776048627.db2.gz	RNUUHBOYJAYSMI-LLVKDONJSA-N	-1	0	303.336	0.933	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc2n[nH]nc2c1	ZINC001228667289	776110595	/nfs/dbraw/zinc/11/05/95/776110595.db2.gz	LWSMLDGKUBZWLA-JTQLQIEISA-N	-1	0	313.335	0.796	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114791453	776129998	/nfs/dbraw/zinc/12/99/98/776129998.db2.gz	FDMQBWOYTSBKLS-MAWWSGROSA-N	-1	0	305.382	0.659	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1	ZINC001602684020	1169158169	/nfs/dbraw/zinc/15/81/69/1169158169.db2.gz	XDEWYMBDNJHPNK-LLVKDONJSA-N	-1	0	306.318	0.577	20	30		DCEDRM
C=CCN([C@@H](C)COC)S(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001602887341	1169197737	/nfs/dbraw/zinc/19/77/37/1169197737.db2.gz	QUQDVTGJALCDQT-JTQLQIEISA-N	-1	0	316.379	0.935	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2cc3c(c(Cl)c2)OCO3)c1=O	ZINC001413935555	939288524	/nfs/dbraw/zinc/28/85/24/939288524.db2.gz	YOPXCDNBUQGFSY-UHFFFAOYSA-N	-1	0	305.677	0.839	20	30		DCEDRM
C=C[C@H](C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1	ZINC001481602287	939964027	/nfs/dbraw/zinc/96/40/27/939964027.db2.gz	AJZZAZKRGXZKHP-ZDUSSCGKSA-N	-1	0	313.361	0.781	20	30		DCEDRM
C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)Cc1nnn[n-]1)CC2	ZINC001269578222	940733573	/nfs/dbraw/zinc/73/35/73/940733573.db2.gz	WXKCNBMKBRMIRF-LLVKDONJSA-N	-1	0	318.381	0.063	20	30		DCEDRM
C#CCNC(=O)[C@@H]1CC12CCN(C(=O)c1ccncc1[O-])CC2	ZINC001271401732	941366768	/nfs/dbraw/zinc/36/67/68/941366768.db2.gz	FZZDOCUYKIPFIF-ZDUSSCGKSA-N	-1	0	313.357	0.779	20	30		DCEDRM
C=C1CC(C(=O)N2Cc3[nH]nc(C(=O)Nc4nnco4)c3C2)C1	ZINC001271455736	941381496	/nfs/dbraw/zinc/38/14/96/941381496.db2.gz	XLCYKRJGPWQYMX-UHFFFAOYSA-N	-1	0	314.305	0.853	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2C[C@@H]2c2ccccc2)c(=O)[n-]c1=O	ZINC001412902131	942130982	/nfs/dbraw/zinc/13/09/82/942130982.db2.gz	WVTZNPFBHCZRPP-CHWSQXEVSA-N	-1	0	310.313	0.493	20	30		DCEDRM
Cc1csc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001412983058	942173952	/nfs/dbraw/zinc/17/39/52/942173952.db2.gz	NAQGPQLQEYKVIM-UHFFFAOYSA-N	-1	0	318.358	0.897	20	30		DCEDRM
C#CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1cc(=O)n(C)[n-]1	ZINC001272355111	942712056	/nfs/dbraw/zinc/71/20/56/942712056.db2.gz	RLVMXJFDTUFEGO-MRXNPFEDSA-N	-1	0	316.361	0.356	20	30		DCEDRM
C#CCN1C(=O)COCC12CN(C(=O)c1c([O-])cccc1F)C2	ZINC001272388434	942729041	/nfs/dbraw/zinc/72/90/41/942729041.db2.gz	INORNBSLZFTEFB-UHFFFAOYSA-N	-1	0	318.304	0.218	20	30		DCEDRM
N#Cc1ccc(CC(=O)N(CCC(=O)[O-])C2CCOCC2)cn1	ZINC001601097822	970932489	/nfs/dbraw/zinc/93/24/89/970932489.db2.gz	FGEAPRFLRGNYNN-UHFFFAOYSA-N	-1	0	317.345	0.978	20	30		DCEDRM
CCn1[n-]nnc1=NC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC001272484554	942780732	/nfs/dbraw/zinc/78/07/32/942780732.db2.gz	UOVMLTFSHTWOIU-UHFFFAOYSA-N	-1	0	308.305	0.425	20	30		DCEDRM
CC(C)CC[C@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413690297	943587713	/nfs/dbraw/zinc/58/77/13/943587713.db2.gz	NBKBINYBVOMXSB-NSHDSACASA-N	-1	0	321.381	0.944	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCc3cc(C(N)=O)[nH]c3C2)c([O-])c1	ZINC001276865253	944335372	/nfs/dbraw/zinc/33/53/72/944335372.db2.gz	ULPZLDBBMRDGPX-UHFFFAOYSA-N	-1	0	310.313	0.889	20	30		DCEDRM
COc1ccc2c(c1)C(=NNc1nnc(C)c(=O)[n-]1)C(=O)N2	ZINC001248411429	945599877	/nfs/dbraw/zinc/59/98/77/945599877.db2.gz	XKYUFBACYDYGFT-UHFFFAOYSA-N	-1	0	300.278	0.663	20	30		DCEDRM
CCN(CCNCC#N)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001320788718	946019935	/nfs/dbraw/zinc/01/99/35/946019935.db2.gz	RGGUVINFUXKYGW-UHFFFAOYSA-N	-1	0	307.398	0.337	20	30		DCEDRM
C=CC[C@@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-]	ZINC001321276977	946248765	/nfs/dbraw/zinc/24/87/65/946248765.db2.gz	MBDIBJZCHFIDOE-SECBINFHSA-N	-1	0	304.368	0.140	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)NC[C@@H]3C=CCC3)C2)c(=O)[n-]c1=O	ZINC001254697277	946424222	/nfs/dbraw/zinc/42/42/22/946424222.db2.gz	ZRDXWPCVJJYNLF-SNVBAGLBSA-N	-1	0	315.333	0.353	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(OCC#N)cc1	ZINC001602679321	971258999	/nfs/dbraw/zinc/25/89/99/971258999.db2.gz	NZALXKHDNRFHSM-UHFFFAOYSA-N	-1	0	315.285	0.074	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O	ZINC001602682227	971267036	/nfs/dbraw/zinc/26/70/36/971267036.db2.gz	JTLIYNANIPTATA-STQMWFEESA-N	-1	0	301.298	0.837	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O)C(=O)[O-]	ZINC001322601331	946740323	/nfs/dbraw/zinc/74/03/23/946740323.db2.gz	PYDWZHCHTDZOGR-MNOVXSKESA-N	-1	0	318.395	0.192	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CN1C(=O)c2ccc(C)cc2C1=O	ZINC001602682473	971269084	/nfs/dbraw/zinc/26/90/84/971269084.db2.gz	OXUWFNUGPXSNCH-UHFFFAOYSA-N	-1	0	314.297	0.137	20	30		DCEDRM
Cc1nc([N-]S(=O)(=O)c2cn(C)cn2)c(C#N)cc1C#N	ZINC001258992803	946880077	/nfs/dbraw/zinc/88/00/77/946880077.db2.gz	DEEVKWXAROPOMP-UHFFFAOYSA-N	-1	0	302.319	0.668	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC[C@H](Nc2cnccn2)CC1	ZINC001602691459	971295207	/nfs/dbraw/zinc/29/52/07/971295207.db2.gz	KEAXYRAHXGYIFX-JOCQHMNTSA-N	-1	0	316.361	0.994	20	30		DCEDRM
N#C[C@@H](NS(=O)(=O)c1ccc(Br)s1)C(N)=O	ZINC001259060605	946907260	/nfs/dbraw/zinc/90/72/60/946907260.db2.gz	YPICMKJNXNYNQX-SCSAIBSYSA-N	-1	0	324.181	0.166	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc2c(cc1Cl)NC(=O)CO2	ZINC001602691681	971297719	/nfs/dbraw/zinc/29/77/19/971297719.db2.gz	SIRSEOUROKCDEI-UHFFFAOYSA-N	-1	0	322.704	0.831	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1[nH]nc(C)c1Br	ZINC001602691692	971297845	/nfs/dbraw/zinc/29/78/45/971297845.db2.gz	TYVPOCSVYKZFMU-UHFFFAOYSA-N	-1	0	300.112	0.641	20	30		DCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1C#N	ZINC001259340194	946945587	/nfs/dbraw/zinc/94/55/87/946945587.db2.gz	IXLAQZFPHYSBTO-UHFFFAOYSA-N	-1	0	320.330	0.864	20	30		DCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1C#N	ZINC001259340181	946946734	/nfs/dbraw/zinc/94/67/34/946946734.db2.gz	IDSUTSJOYHOJFT-UHFFFAOYSA-N	-1	0	320.330	0.864	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)[N-]c2cnc(C(N)=O)cn2)ccc1F	ZINC001259412875	946955975	/nfs/dbraw/zinc/95/59/75/946955975.db2.gz	VEKMGZBCJCEGCZ-UHFFFAOYSA-N	-1	0	321.293	0.387	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)[N-]c2ncnn3cccc23)ccc1F	ZINC001259412414	946956007	/nfs/dbraw/zinc/95/60/07/946956007.db2.gz	HDRVKBZADOLXHR-UHFFFAOYSA-N	-1	0	317.305	0.963	20	30		DCEDRM
C=CCS(=O)(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1	ZINC001259929245	947026188	/nfs/dbraw/zinc/02/61/88/947026188.db2.gz	WCNTWBHEGWDCQQ-UHFFFAOYSA-N	-1	0	310.375	0.666	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-][C@@H](CO)C(F)(F)F)cc1	ZINC001260047732	947052387	/nfs/dbraw/zinc/05/23/87/947052387.db2.gz	OJGSXTBYJMCTTN-JTQLQIEISA-N	-1	0	308.281	0.901	20	30		DCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2c(C)nn(C)c2C)c(C#C)n1	ZINC001260105729	947067107	/nfs/dbraw/zinc/06/71/07/947067107.db2.gz	RHBUSGCLXWWZJN-UHFFFAOYSA-N	-1	0	315.358	0.590	20	30		DCEDRM
CC(=O)c1ccc([N-]S(=O)(=O)CS(C)(=O)=O)c(C#N)c1	ZINC001260592531	947121950	/nfs/dbraw/zinc/12/19/50/947121950.db2.gz	LDXHZMJMZJBDSS-UHFFFAOYSA-N	-1	0	316.360	0.505	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(=O)N(C)c2ccccc21)C(=O)[O-]	ZINC001262177893	947592513	/nfs/dbraw/zinc/59/25/13/947592513.db2.gz	KAYGVVGDNALQCH-RYUDHWBXSA-N	-1	0	300.314	0.729	20	30		DCEDRM
C=CCn1c([C@@H](O)CC)nnc1N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001602729927	971403718	/nfs/dbraw/zinc/40/37/18/971403718.db2.gz	MJMSDYKUKGQAGX-XHDPSFHLSA-N	-1	0	324.381	0.835	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(N2CCCC2)nn1	ZINC001263291201	947828499	/nfs/dbraw/zinc/82/84/99/947828499.db2.gz	OZNIFCFSVLDPCC-NSHDSACASA-N	-1	0	317.349	0.162	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1	ZINC001325718222	947893757	/nfs/dbraw/zinc/89/37/57/947893757.db2.gz	RJMJTKKJYKZRGZ-QWHCGFSZSA-N	-1	0	324.377	0.503	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1cnc2c(cnn2C)c1)C(=O)[O-]	ZINC001326027373	948024407	/nfs/dbraw/zinc/02/44/07/948024407.db2.gz	ROZSAMWAQPQCAQ-JTQLQIEISA-N	-1	0	310.335	0.276	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])c1	ZINC001326036744	948028742	/nfs/dbraw/zinc/02/87/42/948028742.db2.gz	JCIZPKPPLJXJBX-SNVBAGLBSA-N	-1	0	304.302	0.617	20	30		DCEDRM
COCCO[N-]C(=O)C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC001326189530	948087378	/nfs/dbraw/zinc/08/73/78/948087378.db2.gz	YXGCYZGPQWEFHN-UHFFFAOYSA-N	-1	0	311.725	0.522	20	30		DCEDRM
N#Cc1ncc(N2CCc3cc(O)ccc3C2)nc1-c1nnn[n-]1	ZINC001570921908	948629619	/nfs/dbraw/zinc/62/96/19/948629619.db2.gz	CGSKVKZHLXXFFP-UHFFFAOYSA-N	-1	0	320.316	0.797	20	30		DCEDRM
N#CCc1ccccc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001570921904	948629651	/nfs/dbraw/zinc/62/96/51/948629651.db2.gz	QNCCFERKUOAGOU-UHFFFAOYSA-N	-1	0	319.288	0.780	20	30		DCEDRM
N#Cc1ncc(N[C@H]2c3ccccc3C[C@H]2O)nc1-c1nnn[n-]1	ZINC001570922877	948649517	/nfs/dbraw/zinc/64/95/17/948649517.db2.gz	QFXSIMIBZYJNCE-YPMHNXCESA-N	-1	0	320.316	0.599	20	30		DCEDRM
C=CCCn1cc(CN[C@@H](Cn2cc(C)cn2)C(=O)[O-])nn1	ZINC001327889184	948654995	/nfs/dbraw/zinc/65/49/95/948654995.db2.gz	OLSABHGEKYNYRA-ZDUSSCGKSA-N	-1	0	304.354	0.602	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)[C@@]1(C(=O)[O-])CC1(C)C)C1CC1	ZINC001602782725	971530351	/nfs/dbraw/zinc/53/03/51/971530351.db2.gz	ZDOGYVQDHDYCET-CABCVRRESA-N	-1	0	308.334	0.839	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(C(=O)NC)cc1C	ZINC001328729014	949056428	/nfs/dbraw/zinc/05/64/28/949056428.db2.gz	XAHMXHBOLHPYHQ-SNVBAGLBSA-N	-1	0	305.334	0.915	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2C[C@H]3CC[C@@H](C2)S3)c(=O)[n-]c1=O	ZINC001364367358	949132797	/nfs/dbraw/zinc/13/27/97/949132797.db2.gz	RSAIAFNMTLJREJ-FGWVZKOKSA-N	-1	0	320.374	0.363	20	30		DCEDRM
COC[C@H]1COCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364501238	949433876	/nfs/dbraw/zinc/43/38/76/949433876.db2.gz	ZJTDYQNRXKQPPX-LBPRGKRZSA-N	-1	0	303.322	0.154	20	30		DCEDRM
C[C@H](Cc1ccc(O)cc1)N(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364545870	949535058	/nfs/dbraw/zinc/53/50/58/949535058.db2.gz	XBNPKCYKUHNLPR-SNVBAGLBSA-N	-1	0	314.345	0.718	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2CC(=O)N(C(C)(C)C)C2)c(C#N)c1=O	ZINC001364584802	949590976	/nfs/dbraw/zinc/59/09/76/949590976.db2.gz	SGODAWSHOTXCIL-VIFPVBQESA-N	-1	0	319.365	0.004	20	30		DCEDRM
C[C@H]1CC[C@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001364742714	949858816	/nfs/dbraw/zinc/85/88/16/949858816.db2.gz	GIYVPMNOWSKGFI-ONGXEEELSA-N	-1	0	305.338	0.308	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@H](C)C#N)[C@H]2C)c1[O-]	ZINC001490127325	950314370	/nfs/dbraw/zinc/31/43/70/950314370.db2.gz	GKOURBJKVYMSOO-QNSHHTMESA-N	-1	0	305.338	0.303	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NCC2CCCCC2)c(=O)[n-]c1=O	ZINC001365092796	950502400	/nfs/dbraw/zinc/50/24/00/950502400.db2.gz	BZMPUDHRNJRKRE-UHFFFAOYSA-N	-1	0	319.365	0.700	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ncc(C(C)(C)C)o2)c(C#N)c1=O	ZINC001365218799	950758447	/nfs/dbraw/zinc/75/84/47/950758447.db2.gz	XCARMHCPISOMKT-UHFFFAOYSA-N	-1	0	303.322	0.843	20	30		DCEDRM
COC(=O)c1cccc(Cl)c1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001365259122	950831747	/nfs/dbraw/zinc/83/17/47/950831747.db2.gz	HCLMQRMCZJYSIW-UHFFFAOYSA-N	-1	0	319.704	0.897	20	30		DCEDRM
C=C(C)CCC(=O)N(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001280508872	950912186	/nfs/dbraw/zinc/91/21/86/950912186.db2.gz	FBFZGANPMBUDPB-SECBINFHSA-N	-1	0	323.353	0.216	20	30		DCEDRM
C=CCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001281436740	951498466	/nfs/dbraw/zinc/49/84/66/951498466.db2.gz	WKCJTIMDEDXWNU-DTWKUNHWSA-N	-1	0	323.353	0.262	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC001332588593	951709110	/nfs/dbraw/zinc/70/91/10/951709110.db2.gz	LNNYYIJNUAFSGI-UHFFFAOYSA-N	-1	0	323.346	0.320	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)CCCCS(C)(=O)=O	ZINC001332689942	951763900	/nfs/dbraw/zinc/76/39/00/951763900.db2.gz	DWJSGUVFHDAMBV-UHFFFAOYSA-N	-1	0	309.409	0.061	20	30		DCEDRM
C=CC[C@@H]1N(C(=O)C(=O)NCC(=O)[N-]OC)CCCC1(C)C	ZINC001335144932	952470560	/nfs/dbraw/zinc/47/05/60/952470560.db2.gz	OEXIKTMRIZKHKN-NSHDSACASA-N	-1	0	311.382	0.374	20	30		DCEDRM
N#CCc1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001412131861	952659306	/nfs/dbraw/zinc/65/93/06/952659306.db2.gz	CZAAXLDHURNCIR-UHFFFAOYSA-N	-1	0	309.285	0.525	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C	ZINC001412296777	952735715	/nfs/dbraw/zinc/73/57/15/952735715.db2.gz	GVBZUJSKZCEXPD-LPEHRKFASA-N	-1	0	302.334	0.705	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CC[C@@H]2CCCCO2)c(=O)[n-]c1=O	ZINC001412370641	952768010	/nfs/dbraw/zinc/76/80/10/952768010.db2.gz	DTFQRRITTLQOQC-LBPRGKRZSA-N	-1	0	320.349	0.286	20	30		DCEDRM
N#CCOc1cc(F)ccc1NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001412671460	952981226	/nfs/dbraw/zinc/98/12/26/952981226.db2.gz	ATIVUKANLJXMCN-UHFFFAOYSA-N	-1	0	307.241	0.369	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN2C(=O)CC[C@@H]2C1	ZINC001412677068	952984732	/nfs/dbraw/zinc/98/47/32/952984732.db2.gz	OJXBQTYMWFSNKW-LLVKDONJSA-N	-1	0	300.318	0.414	20	30		DCEDRM
C#CCCN(CCOC)c1nnc(-c2cc(=O)[nH][n-]2)n1CC=C	ZINC001339710752	953114145	/nfs/dbraw/zinc/11/41/45/953114145.db2.gz	SKUUOJSJZRPZAV-UHFFFAOYSA-N	-1	0	316.365	0.164	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCCSC	ZINC001339710448	953114451	/nfs/dbraw/zinc/11/44/51/953114451.db2.gz	RSYOSSBTFAYLGG-UHFFFAOYSA-N	-1	0	308.411	0.877	20	30		DCEDRM
C=CC[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)C(=O)[O-]	ZINC001339865137	953126275	/nfs/dbraw/zinc/12/62/75/953126275.db2.gz	NYLHZKNYQJMBBV-LBPRGKRZSA-N	-1	0	303.318	0.975	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCc2c(nc[nH]c2=O)C1	ZINC001412829572	953126798	/nfs/dbraw/zinc/12/67/98/953126798.db2.gz	DXLZUNMYIOLGNB-UHFFFAOYSA-N	-1	0	311.301	0.661	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](C2CC2)C1	ZINC001340431628	953169059	/nfs/dbraw/zinc/16/90/59/953169059.db2.gz	VCGQTEAQUAKDLH-NSHDSACASA-N	-1	0	300.366	0.924	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CCC2(C1)CCOCC2	ZINC001340588772	953180859	/nfs/dbraw/zinc/18/08/59/953180859.db2.gz	QRVYOYCJDGCODB-UHFFFAOYSA-N	-1	0	316.369	0.651	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OCc2nc(C)no2)nc1	ZINC001342631718	953299020	/nfs/dbraw/zinc/29/90/20/953299020.db2.gz	AYLHLUBFQRWDHO-SNVBAGLBSA-N	-1	0	315.289	0.421	20	30		DCEDRM
CC(=O)N1CCC[C@@H](C(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC001342644820	953300110	/nfs/dbraw/zinc/30/01/10/953300110.db2.gz	YPJZKONOWRNXHZ-NEPJUHHUSA-N	-1	0	302.334	0.570	20	30		DCEDRM
Cn1nc(C([O-])=C(C#N)C(=O)NC2CC2)cc1Br	ZINC001342721659	953304263	/nfs/dbraw/zinc/30/42/63/953304263.db2.gz	HPGKDUBBTHRZBN-SSDOTTSWSA-N	-1	0	311.139	0.784	20	30		DCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2cc(=O)[nH]c(C)n2)n1CCOC	ZINC001345786160	953733577	/nfs/dbraw/zinc/73/35/77/953733577.db2.gz	PSWCIKAGMJNQPJ-SNVBAGLBSA-N	-1	0	316.365	0.853	20	30		DCEDRM
CCOC(=O)c1cc(C=Nn2c(=O)c(C)n[n-]c2=S)[nH]n1	ZINC001345929773	953766760	/nfs/dbraw/zinc/76/67/60/953766760.db2.gz	GBXXJTDJHGXMBK-UHFFFAOYSA-N	-1	0	308.323	0.017	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCSC2	ZINC001346132946	953808365	/nfs/dbraw/zinc/80/83/65/953808365.db2.gz	ONQDVYRIQCPPSI-VIFPVBQESA-N	-1	0	304.375	0.834	20	30		DCEDRM
CN(C(=O)c1cn(CC(=O)[O-])nn1)c1ccc(C#N)cc1F	ZINC001593683494	953977352	/nfs/dbraw/zinc/97/73/52/953977352.db2.gz	HXFBAVULXZVXAG-UHFFFAOYSA-N	-1	0	303.253	0.650	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC001347567553	954122576	/nfs/dbraw/zinc/12/25/76/954122576.db2.gz	NJNVZWBWVRZLJH-UPJWGTAASA-N	-1	0	312.366	0.168	20	30		DCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1	ZINC001347947737	954182499	/nfs/dbraw/zinc/18/24/99/954182499.db2.gz	BILOLAJVNQSOJG-UHFFFAOYSA-N	-1	0	308.363	0.985	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC001593730989	954316420	/nfs/dbraw/zinc/31/64/20/954316420.db2.gz	BLMBBGASIPHKAU-UHFFFAOYSA-N	-1	0	307.281	0.247	20	30		DCEDRM
C[C@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC[C@@H]1C(=O)[O-]	ZINC001589398511	954385620	/nfs/dbraw/zinc/38/56/20/954385620.db2.gz	DBMBDUYCXINYFG-CABZTGNLSA-N	-1	0	315.333	0.849	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001351053454	955242039	/nfs/dbraw/zinc/24/20/39/955242039.db2.gz	YXHNHOCLUOSOPA-NSHDSACASA-N	-1	0	322.365	0.347	20	30		DCEDRM
Cn1c(Cc2ccc(C#N)nc2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001594520116	955452227	/nfs/dbraw/zinc/45/22/27/955452227.db2.gz	LRQGPPVOETYNLA-LLVKDONJSA-N	-1	0	312.333	0.583	20	30		DCEDRM
N#C[C@@]12CN(C(=O)c3c(O)cccc3O)C[C@H]1CS(=O)(=O)C2	ZINC001413858096	956064066	/nfs/dbraw/zinc/06/40/66/956064066.db2.gz	JWVDVLGRRCSHND-XPTSAGLGSA-N	-1	0	322.342	0.108	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@](C)(NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001286086169	956157502	/nfs/dbraw/zinc/15/75/02/956157502.db2.gz	FMVUJBUECTXKBX-INIZCTEOSA-N	-1	0	316.361	0.558	20	30		DCEDRM
N#Cc1cc(CS(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cs1	ZINC001594617126	956246321	/nfs/dbraw/zinc/24/63/21/956246321.db2.gz	YPFHVQUCOQZFMZ-LLVKDONJSA-N	-1	0	316.360	0.283	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNC(=O)C#CC3CC3)C2)c1[O-]	ZINC001286410343	956268860	/nfs/dbraw/zinc/26/88/60/956268860.db2.gz	GGBYQTNKXWUMKV-HAQNSBGRSA-N	-1	0	316.361	0.462	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1	ZINC001594619767	956270770	/nfs/dbraw/zinc/27/07/70/956270770.db2.gz	NRHHMFUSNCLTCF-BONVTDFDSA-N	-1	0	304.277	0.871	20	30		DCEDRM
N#Cc1ccc(OC2CN(C(=O)[C@@]3(C(=O)[O-])CCCO3)C2)cc1	ZINC001594623802	956298650	/nfs/dbraw/zinc/29/86/50/956298650.db2.gz	JBQSRBNFJKZRQZ-MRXNPFEDSA-N	-1	0	316.313	0.782	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)NCc2ccc(C(=O)[O-])cc2)n1	ZINC001594634852	956364060	/nfs/dbraw/zinc/36/40/60/956364060.db2.gz	BRUMUWPPHPLSRK-UHFFFAOYSA-N	-1	0	314.305	0.347	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001287818982	956484101	/nfs/dbraw/zinc/48/41/01/956484101.db2.gz	OESWCEIAELPENT-JTQLQIEISA-N	-1	0	324.381	0.233	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2ccc(F)cc2)c(=O)[n-]c1=O	ZINC001463621100	1013147884	/nfs/dbraw/zinc/14/78/84/1013147884.db2.gz	QAFMBFZDJCUQHX-UHFFFAOYSA-N	-1	0	302.265	0.988	20	30		DCEDRM
C#C[C@@H]1CCCN(c2nnc(-c3c[nH][nH]c3=O)n2CCOC)C1	ZINC001355519357	956666721	/nfs/dbraw/zinc/66/67/21/956666721.db2.gz	FWKPNCUXMYHQMS-LLVKDONJSA-N	-1	0	316.365	0.870	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2ncc(C#N)cc2C)CCO1	ZINC001593982917	956725003	/nfs/dbraw/zinc/72/50/03/956725003.db2.gz	KEYSQDFBVNWGHO-OAHLLOKOSA-N	-1	0	319.317	0.204	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(CCOc2cccc(C#N)c2)CCO1	ZINC001593985463	956768295	/nfs/dbraw/zinc/76/82/95/956768295.db2.gz	HGCFDJMMQQBNHY-INIZCTEOSA-N	-1	0	320.345	0.739	20	30		DCEDRM
CC1(C)CCC[C@@H](n2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)C1=O	ZINC001589225709	956791474	/nfs/dbraw/zinc/79/14/74/956791474.db2.gz	CUYZTFSUDXTWJY-SNVBAGLBSA-N	-1	0	319.317	0.287	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)NCc1ccc(C#N)cc1F)C(=O)[O-]	ZINC001603144823	972240493	/nfs/dbraw/zinc/24/04/93/972240493.db2.gz	IILWEHMDIWCAQJ-SECBINFHSA-N	-1	0	321.308	0.493	20	30		DCEDRM
CC[C@@](C)(C#N)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001292650894	957091420	/nfs/dbraw/zinc/09/14/20/957091420.db2.gz	RMPDYGALWRKMJM-HNNXBMFYSA-N	-1	0	314.349	0.995	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)NC[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001357018772	957181783	/nfs/dbraw/zinc/18/17/83/957181783.db2.gz	VPRLKGLKRZVMBP-ONGXEEELSA-N	-1	0	324.381	0.497	20	30		DCEDRM
C[C@H](C#N)C(=O)NCCNC(=O)c1n[n-]c2ccccc2c1=O	ZINC001293070941	957258138	/nfs/dbraw/zinc/25/81/38/957258138.db2.gz	OCBONTNOMWZYBB-SECBINFHSA-N	-1	0	313.317	0.341	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(OCC(N)=O)c1	ZINC001357543827	957312828	/nfs/dbraw/zinc/31/28/28/957312828.db2.gz	OPFRAZLDEKVBAX-ZDUSSCGKSA-N	-1	0	315.329	0.496	20	30		DCEDRM
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCNC(=O)C2N=CC=CC2=O)C1	ZINC001326605458	957326460	/nfs/dbraw/zinc/32/64/60/957326460.db2.gz	BJXPQDGKGMBIDS-BDRBLRLSSA-N	-1	0	321.333	0.130	20	30		DCEDRM
C=CC(C)(C)C(=O)NCCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001294231610	957498892	/nfs/dbraw/zinc/49/88/92/957498892.db2.gz	DGYHZINXYYCXAF-UHFFFAOYSA-N	-1	0	323.353	0.073	20	30		DCEDRM
CN(C)C(=O)[C@@H]1CCC[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001413879822	957500326	/nfs/dbraw/zinc/50/03/26/957500326.db2.gz	MVHOTMLMNBMISU-ZJUUUORDSA-N	-1	0	319.365	0.004	20	30		DCEDRM
Cn1c(=O)[n-]c(Sc2nnc(C3CC3)s2)c(C#N)c1=O	ZINC001413880280	957501986	/nfs/dbraw/zinc/50/19/86/957501986.db2.gz	NHNRXVGOWJRHIB-UHFFFAOYSA-N	-1	0	307.360	0.825	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001295461785	957718584	/nfs/dbraw/zinc/71/85/84/957718584.db2.gz	DQUADSBAKUDJAS-IEBDPFPHSA-N	-1	0	322.365	0.249	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588385348	957970277	/nfs/dbraw/zinc/97/02/77/957970277.db2.gz	FBWGYOCPWWPTEM-GFCCVEGCSA-N	-1	0	301.302	0.733	20	30		DCEDRM
C#CC1(O)CN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1	ZINC001588386117	957976136	/nfs/dbraw/zinc/97/61/36/957976136.db2.gz	OFFYZSLTXKTPGV-CHWSQXEVSA-N	-1	0	300.314	0.689	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588389412	958009316	/nfs/dbraw/zinc/00/93/16/958009316.db2.gz	UVIJQYJLNLPRFH-LGESCRJUSA-N	-1	0	324.377	0.736	20	30		DCEDRM
C#CCCCCCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001588390849	958016242	/nfs/dbraw/zinc/01/62/42/958016242.db2.gz	OHWCRQGSMQRZKJ-LLVKDONJSA-N	-1	0	301.364	0.280	20	30		DCEDRM
C#CCC[C@@H](C)OC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588391385	958022362	/nfs/dbraw/zinc/02/23/62/958022362.db2.gz	GTJIXPWHKZBAFJ-SNVBAGLBSA-N	-1	0	302.348	0.611	20	30		DCEDRM
C=C(Br)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC000087616721	958023922	/nfs/dbraw/zinc/02/39/22/958023922.db2.gz	DOQAAFOFVVWEIF-MRVPVSSYSA-N	-1	0	312.185	0.469	20	30		DCEDRM
COCCn1[n-]nnc1=NC(=O)c1c(C)cc(C#N)cc1C	ZINC001361527784	958053951	/nfs/dbraw/zinc/05/39/51/958053951.db2.gz	SGDGMQYTRUVEMC-UHFFFAOYSA-N	-1	0	300.322	0.482	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@]1(C)COc2ccccc2O1	ZINC001588408318	958107720	/nfs/dbraw/zinc/10/77/20/958107720.db2.gz	HHLMUIBVVTVUDP-MRXNPFEDSA-N	-1	0	318.329	0.946	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CCC2(CCOCC2)O1	ZINC001588408344	958108048	/nfs/dbraw/zinc/10/80/48/958108048.db2.gz	IPOCSVWQFRVTTE-GFCCVEGCSA-N	-1	0	310.350	0.444	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCC(=O)NC1CCCCC1	ZINC001588408582	958113151	/nfs/dbraw/zinc/11/31/51/958113151.db2.gz	SXHWTTRFLDYECP-UHFFFAOYSA-N	-1	0	309.366	0.555	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC1CCN(CC(F)F)CC1	ZINC001588409267	958124953	/nfs/dbraw/zinc/12/49/53/958124953.db2.gz	DDEGHVCXCIKDDO-UHFFFAOYSA-N	-1	0	303.309	0.445	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(-n2cnnn2)cc1	ZINC001588411421	958150220	/nfs/dbraw/zinc/15/02/20/958150220.db2.gz	ZPTLLWYHEUEKDM-UHFFFAOYSA-N	-1	0	300.278	0.214	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCc2ccsc2)c(=O)[n-]c1=O	ZINC001361650037	958175396	/nfs/dbraw/zinc/17/53/96/958175396.db2.gz	JJQHHLDAKFYWJL-UHFFFAOYSA-N	-1	0	304.331	0.589	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(NC(=O)N(C)C)c1	ZINC001588419195	958192127	/nfs/dbraw/zinc/19/21/27/958192127.db2.gz	XGMXNSBJGBUEOQ-UHFFFAOYSA-N	-1	0	303.318	0.940	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)CCC(=O)N2C	ZINC001588419226	958194452	/nfs/dbraw/zinc/19/44/52/958194452.db2.gz	YJRZDPAPAARFQT-UHFFFAOYSA-N	-1	0	300.314	0.756	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCCN1CCc2ccccc21	ZINC001588420423	958204482	/nfs/dbraw/zinc/20/44/82/958204482.db2.gz	YRLQLSRJWAQUEE-UHFFFAOYSA-N	-1	0	315.373	0.185	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ncoc2C)n1CC=C	ZINC001588426468	958229661	/nfs/dbraw/zinc/22/96/61/958229661.db2.gz	MESBRLXRJOKFMP-UHFFFAOYSA-N	-1	0	301.306	0.952	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CC=NO2)n1CC(=C)C	ZINC001588426795	958233674	/nfs/dbraw/zinc/23/36/74/958233674.db2.gz	CFRCUFYQAIKWBU-LLVKDONJSA-N	-1	0	303.322	0.826	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnnn1CCc1c(C)noc1C	ZINC001588426895	958235011	/nfs/dbraw/zinc/23/50/11/958235011.db2.gz	FVNABXVBXZGMPH-UHFFFAOYSA-N	-1	0	304.310	0.045	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)CC)n1C[C@H]1CCCO1	ZINC001588427171	958241178	/nfs/dbraw/zinc/24/11/78/958241178.db2.gz	PGBQEFVIWKJSKJ-VXGBXAGGSA-N	-1	0	322.365	0.425	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)N2CC[C@](COC)(C(=O)[O-])C2)C1	ZINC001588431367	958268194	/nfs/dbraw/zinc/26/81/94/958268194.db2.gz	XBEWUDRFLFMHFH-CJNGLKHVSA-N	-1	0	323.393	0.217	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)[C@]2(C(=O)[O-])CCCO2)cc1	ZINC001588433593	958298492	/nfs/dbraw/zinc/29/84/92/958298492.db2.gz	PTQADBGAFGHHOK-INIZCTEOSA-N	-1	0	303.314	0.949	20	30		DCEDRM
C#Cc1cccnc1N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001588439972	958326339	/nfs/dbraw/zinc/32/63/39/958326339.db2.gz	WXNZCJAWVQZVGQ-ZDUSSCGKSA-N	-1	0	313.357	0.965	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCCC(F)(F)F)c(=O)[n-]c1=O	ZINC001297773608	958342251	/nfs/dbraw/zinc/34/22/51/958342251.db2.gz	MLVMTPRRTYCHLS-UHFFFAOYSA-N	-1	0	304.228	0.279	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C(=O)C(C)C)CC1	ZINC001361843362	958396234	/nfs/dbraw/zinc/39/62/34/958396234.db2.gz	COIMUOFEVQOUNA-UHFFFAOYSA-N	-1	0	316.361	0.908	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1CC	ZINC001588453335	958437055	/nfs/dbraw/zinc/43/70/55/958437055.db2.gz	XDKWPZNCCILMSP-ISTVAULSSA-N	-1	0	308.338	0.055	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC001573320306	958477014	/nfs/dbraw/zinc/47/70/14/958477014.db2.gz	KKAYXQXPHBGTRI-UHFFFAOYSA-N	-1	0	311.681	0.990	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccc(-c2nc(CC(=O)[O-])no2)cc1	ZINC001588465248	958500201	/nfs/dbraw/zinc/50/02/01/958500201.db2.gz	SYNMQGFFTKNFJD-UHFFFAOYSA-N	-1	0	323.330	0.828	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC001588465442	958503705	/nfs/dbraw/zinc/50/37/05/958503705.db2.gz	JYIPVKFTVNQYAU-OLZOCXBDSA-N	-1	0	317.345	0.901	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001588465692	958506473	/nfs/dbraw/zinc/50/64/73/958506473.db2.gz	YCPXBAWXKVFRRD-NEPJUHHUSA-N	-1	0	323.393	0.075	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)Nc1cccnc1C(=O)[O-]	ZINC001588469766	958520065	/nfs/dbraw/zinc/52/00/65/958520065.db2.gz	TWIDTSWQJAICFZ-UHFFFAOYSA-N	-1	0	313.335	0.502	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)C(=O)OC	ZINC001573337494	958524074	/nfs/dbraw/zinc/52/40/74/958524074.db2.gz	PIYGPOXKHWFTTN-ITKZLYELSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)C(=O)OC	ZINC001573337495	958524163	/nfs/dbraw/zinc/52/41/63/958524163.db2.gz	PIYGPOXKHWFTTN-QMAVJUDZSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588472071	958538925	/nfs/dbraw/zinc/53/89/25/958538925.db2.gz	JGNIZZRQZLFQHK-GRYCIOLGSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](N2CCCC2=O)CC1	ZINC001573359621	958585274	/nfs/dbraw/zinc/58/52/74/958585274.db2.gz	FHRFSRFKPJZDAR-BLLLJJGKSA-N	-1	0	321.377	0.994	20	30		DCEDRM
COc1cccc(Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)c1	ZINC001594130413	958659422	/nfs/dbraw/zinc/65/94/22/958659422.db2.gz	DTJIIRJHBPPLBG-UHFFFAOYSA-N	-1	0	315.285	0.023	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001298658522	958678085	/nfs/dbraw/zinc/67/80/85/958678085.db2.gz	YSXJRZVEBAFWJO-BDAKNGLRSA-N	-1	0	323.353	0.120	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCCc2nccs2)c(=O)[n-]c1=O	ZINC001298788700	958715475	/nfs/dbraw/zinc/71/54/75/958715475.db2.gz	OLYMNABKZASHER-UHFFFAOYSA-N	-1	0	319.346	0.026	20	30		DCEDRM
CC[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H](C)O1	ZINC001362101628	958742325	/nfs/dbraw/zinc/74/23/25/958742325.db2.gz	JEPDMRAGFFEIIA-JQWIXIFHSA-N	-1	0	320.349	0.237	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-]	ZINC001588542664	958972070	/nfs/dbraw/zinc/97/20/70/958972070.db2.gz	BIHXHNRVSNPVEE-JQWIXIFHSA-N	-1	0	304.302	0.849	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)[O-]	ZINC000159572136	959118238	/nfs/dbraw/zinc/11/82/38/959118238.db2.gz	UBCSOABVTFLBKA-JTQLQIEISA-N	-1	0	313.331	0.459	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc2cnccc21)C(=O)[O-]	ZINC000159589462	959121841	/nfs/dbraw/zinc/12/18/41/959121841.db2.gz	VMUNUMKYBZHKMQ-LBPRGKRZSA-N	-1	0	304.327	0.990	20	30		DCEDRM
C[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCCOC1	ZINC001362312487	959122192	/nfs/dbraw/zinc/12/21/92/959122192.db2.gz	RFCVGRDNMKXARX-WDEREUQCSA-N	-1	0	320.349	0.142	20	30		DCEDRM
Cc1noc(C)c1[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362323241	959142834	/nfs/dbraw/zinc/14/28/34/959142834.db2.gz	CDWSYUGHEHARPD-SSDOTTSWSA-N	-1	0	317.305	0.303	20	30		DCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(c2ncccc2C#N)CC1	ZINC001594223591	959398679	/nfs/dbraw/zinc/39/86/79/959398679.db2.gz	HCHFKUNTRRWLJA-BZNIZROVSA-N	-1	0	314.345	0.713	20	30		DCEDRM
COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362505703	959487267	/nfs/dbraw/zinc/48/72/67/959487267.db2.gz	KCRBPKDTQAMOAE-ZYHUDNBSSA-N	-1	0	319.317	0.106	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)NCCOCCOCC(=O)[O-]	ZINC001594253100	959629346	/nfs/dbraw/zinc/62/93/46/959629346.db2.gz	PJSWRLPZTFGKMH-UHFFFAOYSA-N	-1	0	306.318	0.714	20	30		DCEDRM
Cc1ccoc1CN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362637637	959742888	/nfs/dbraw/zinc/74/28/88/959742888.db2.gz	DKTIGMGUEVPXRM-UHFFFAOYSA-N	-1	0	302.290	0.381	20	30		DCEDRM
CC(C)[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001362680910	959821180	/nfs/dbraw/zinc/82/11/80/959821180.db2.gz	XAQAVXAHSCUBBE-VIFPVBQESA-N	-1	0	318.255	0.524	20	30		DCEDRM
C[C@@H]1CCC[C@@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362691513	959837759	/nfs/dbraw/zinc/83/77/59/959837759.db2.gz	YDIQISDTQOSCSZ-GHMZBOCLSA-N	-1	0	304.350	0.763	20	30		DCEDRM
C[C@@H]1CCC[C@@H](Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)C1	ZINC001573716388	959873544	/nfs/dbraw/zinc/87/35/44/959873544.db2.gz	SYCOPUCMGYFELZ-GHMZBOCLSA-N	-1	0	305.334	0.793	20	30		DCEDRM
CCOCC(C)(C)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362787429	959987685	/nfs/dbraw/zinc/98/76/85/959987685.db2.gz	CMBSGQPCLYYQBB-UHFFFAOYSA-N	-1	0	322.365	0.390	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1n[nH]cc1C#N	ZINC001362809144	960021964	/nfs/dbraw/zinc/02/19/64/960021964.db2.gz	IOZKZDZOUZUIQM-UHFFFAOYSA-N	-1	0	305.319	0.905	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)cn1	ZINC000228697453	960038061	/nfs/dbraw/zinc/03/80/61/960038061.db2.gz	LXRMUKIANXJHQM-LLVKDONJSA-N	-1	0	313.360	0.192	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c(=O)[n-]c1=O	ZINC001362911041	960167254	/nfs/dbraw/zinc/16/72/54/960167254.db2.gz	HPOHLRXPGGBKDB-JBLDHEPKSA-N	-1	0	302.334	0.515	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1CCCS(=O)(=O)C1	ZINC001362963750	960233931	/nfs/dbraw/zinc/23/39/31/960233931.db2.gz	NQVHODQAZFWOBH-SNVBAGLBSA-N	-1	0	323.374	0.522	20	30		DCEDRM
CCOC1CC(CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362997804	960276383	/nfs/dbraw/zinc/27/63/83/960276383.db2.gz	AEIVIVLWMXZVGR-UHFFFAOYSA-N	-1	0	320.349	0.142	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)C2)cc1C#N	ZINC001363009314	960293172	/nfs/dbraw/zinc/29/31/72/960293172.db2.gz	VQDBBLFXVLNLFI-GDPRMGEGSA-N	-1	0	323.374	0.385	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC(Cc3ccco3)C2)c(=O)[n-]c1=O	ZINC001363057960	960354929	/nfs/dbraw/zinc/35/49/29/960354929.db2.gz	DRSVZIFJVPXDAO-UHFFFAOYSA-N	-1	0	314.301	0.115	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@@]3(O)C[C@H]3C2)cc1C#N	ZINC001363068812	960368502	/nfs/dbraw/zinc/36/85/02/960368502.db2.gz	NQSYVFWGUOCHFZ-LKFCYVNXSA-N	-1	0	305.359	0.978	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc(O)cc2F)c(=O)[n-]c1=O	ZINC001363125651	960436970	/nfs/dbraw/zinc/43/69/70/960436970.db2.gz	AAKGHWPYPJYDTC-UHFFFAOYSA-N	-1	0	318.264	0.095	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2cccc(S(C)(=O)=O)c2)c(C#N)c1=O	ZINC001363133325	960448786	/nfs/dbraw/zinc/44/87/86/960448786.db2.gz	MRHAWFZPYMOAFY-UHFFFAOYSA-N	-1	0	321.314	0.141	20	30		DCEDRM
CCn1nc(C)c(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1C	ZINC001363134969	960454274	/nfs/dbraw/zinc/45/42/74/960454274.db2.gz	IDDHFSSWWDQYOL-UHFFFAOYSA-N	-1	0	302.338	0.391	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)NCc1nc([O-])cc(=O)[nH]1	ZINC001363149898	960484264	/nfs/dbraw/zinc/48/42/64/960484264.db2.gz	LSMFHTZIQQXFJI-UHFFFAOYSA-N	-1	0	300.274	0.455	20	30		DCEDRM
Cc1cc(C#N)cc(N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)n1	ZINC001363151202	960488439	/nfs/dbraw/zinc/48/84/39/960488439.db2.gz	BKDCPASWNROUPM-UHFFFAOYSA-N	-1	0	308.301	0.457	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC001588668659	960488602	/nfs/dbraw/zinc/48/86/02/960488602.db2.gz	PLOACNSVUPJOCE-UONOGXRCSA-N	-1	0	314.338	0.200	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC001363236315	960673663	/nfs/dbraw/zinc/67/36/63/960673663.db2.gz	CUGZCNKFEYOOPF-NSHDSACASA-N	-1	0	311.349	0.841	20	30		DCEDRM
C[C@H]1CC=C(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001363287731	960794267	/nfs/dbraw/zinc/79/42/67/960794267.db2.gz	OMJJFBIOSNCVQX-JTQLQIEISA-N	-1	0	302.334	0.683	20	30		DCEDRM
N#Cc1cc(CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)ccn1	ZINC001571080651	961003971	/nfs/dbraw/zinc/00/39/71/961003971.db2.gz	USWYCGHIXLXAAC-QWHCGFSZSA-N	-1	0	303.318	0.982	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)c1cc(C#N)ccc1F)C(=O)[O-]	ZINC001571096039	961162647	/nfs/dbraw/zinc/16/26/47/961162647.db2.gz	ITBOZERVWGZQGR-YUMQZZPRSA-N	-1	0	307.281	0.405	20	30		DCEDRM
CC[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)N1CCO[C@@H](CC)C1	ZINC001363467331	961215255	/nfs/dbraw/zinc/21/52/55/961215255.db2.gz	UHSKZBOWKDFJQK-GXFFZTMASA-N	-1	0	316.365	0.981	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC001363472894	961223402	/nfs/dbraw/zinc/22/34/02/961223402.db2.gz	HWFROEIIEKLDFU-CMPLNLGQSA-N	-1	0	314.345	0.708	20	30		DCEDRM
N#Cc1cc(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)ccn1	ZINC001571101650	961230346	/nfs/dbraw/zinc/23/03/46/961230346.db2.gz	FKRBMEXJDLGBKZ-UHFFFAOYSA-N	-1	0	309.347	0.628	20	30		DCEDRM
CC1(C)CCC[C@@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363481538	961248436	/nfs/dbraw/zinc/24/84/36/961248436.db2.gz	GZWMVVBVTOUDMD-LLVKDONJSA-N	-1	0	304.350	0.763	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)NCc2nc([O-])cc(=O)[nH]2)cc1	ZINC001363488772	961259976	/nfs/dbraw/zinc/25/99/76/961259976.db2.gz	WVCOOKBLEDCXJL-CYBMUJFWSA-N	-1	0	300.274	0.109	20	30		DCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@]12C[C@H]1CCCC2	ZINC001363510718	961313730	/nfs/dbraw/zinc/31/37/30/961313730.db2.gz	SUCJWPHKBQLHPG-IETSOEAISA-N	-1	0	316.361	0.906	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NCc2ccnc(C(=O)[O-])c2)nc1	ZINC001571111518	961332888	/nfs/dbraw/zinc/33/28/88/961332888.db2.gz	NKSJHIRDILBJRI-UHFFFAOYSA-N	-1	0	311.301	0.775	20	30		DCEDRM
CO[C@@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)[C@H](C(=O)[O-])C1	ZINC001571131642	961562206	/nfs/dbraw/zinc/56/22/06/961562206.db2.gz	NXOWFNMVBWLIII-MNOVXSKESA-N	-1	0	316.379	0.574	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C2CCC1(C(N)=O)CC2	ZINC001363648485	961624003	/nfs/dbraw/zinc/62/40/03/961624003.db2.gz	LUSPESBXZHHWHS-UHFFFAOYSA-N	-1	0	300.318	0.590	20	30		DCEDRM
C[C@@H]1CCCCN1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363696859	961715120	/nfs/dbraw/zinc/71/51/20/961715120.db2.gz	MFWBTDBKLUAFLW-SNVBAGLBSA-N	-1	0	305.338	0.116	20	30		DCEDRM
COC(=O)[C@]1(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)CCOC1	ZINC001363700090	961719800	/nfs/dbraw/zinc/71/98/00/961719800.db2.gz	YMLLBWMFQKEWAP-HNNXBMFYSA-N	-1	0	319.317	0.277	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC(NC3COC3)C2)cc1C#N	ZINC001363769120	961846099	/nfs/dbraw/zinc/84/60/99/961846099.db2.gz	QRLKYUHYEULRBU-UHFFFAOYSA-N	-1	0	320.374	0.194	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001573999061	961874088	/nfs/dbraw/zinc/87/40/88/961874088.db2.gz	NKHWVPZELRVHGP-NSHDSACASA-N	-1	0	324.381	0.643	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CC[C@@H](O)C(F)(F)C1)cc2=O	ZINC001363801886	961915192	/nfs/dbraw/zinc/91/51/92/961915192.db2.gz	KSZNCPBEPSWSTG-SNVBAGLBSA-N	-1	0	309.276	0.508	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC001574047212	962127414	/nfs/dbraw/zinc/12/74/14/962127414.db2.gz	QUZRAHVEJLERDL-ZDUSSCGKSA-N	-1	0	307.306	0.296	20	30		DCEDRM
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001364094965	962459618	/nfs/dbraw/zinc/45/96/18/962459618.db2.gz	NWFYYVNJIPKGOZ-LSKIRQOJSA-N	-1	0	302.334	0.229	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1	ZINC001349109841	962461566	/nfs/dbraw/zinc/46/15/66/962461566.db2.gz	NPOOWOBNXKXQCZ-MRVPVSSYSA-N	-1	0	318.376	0.807	20	30		DCEDRM
Cc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)nc1C	ZINC001364105783	962482097	/nfs/dbraw/zinc/48/20/97/962482097.db2.gz	BZSCACHIIREXDW-UHFFFAOYSA-N	-1	0	313.317	0.262	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1OCC	ZINC001573301920	962640086	/nfs/dbraw/zinc/64/00/86/962640086.db2.gz	HAMNSPXXYVGVRI-SNVBAGLBSA-N	-1	0	313.331	0.056	20	30		DCEDRM
Cn1c(=O)[n-]c(Sc2cccc(C(N)=O)c2)c(C#N)c1=O	ZINC001364194623	962647614	/nfs/dbraw/zinc/64/76/14/962647614.db2.gz	QTMGQLVLTVDMIY-UHFFFAOYSA-N	-1	0	302.315	0.195	20	30		DCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@H](O)c1ccccc1	ZINC001364195593	962652278	/nfs/dbraw/zinc/65/22/78/962652278.db2.gz	RJAYAVNSGZUMFG-CABZTGNLSA-N	-1	0	300.318	0.479	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc2ccn(C)c21)C(=O)[O-]	ZINC001573302574	962656907	/nfs/dbraw/zinc/65/69/07/962656907.db2.gz	CMKPSWLKZJQYTN-LLVKDONJSA-N	-1	0	306.343	0.933	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@@H]1CNc1ccnc(C(=O)[O-])n1	ZINC001573302679	962658459	/nfs/dbraw/zinc/65/84/59/962658459.db2.gz	DJKFZWLQXKHCBB-GFCCVEGCSA-N	-1	0	316.361	0.803	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)OCC	ZINC001573324630	962788446	/nfs/dbraw/zinc/78/84/46/962788446.db2.gz	WCJKTEUOWITPNC-SNVBAGLBSA-N	-1	0	322.383	0.125	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)NCc2cc(F)cc(F)c2)c1=O	ZINC001364286470	962820751	/nfs/dbraw/zinc/82/07/51/962820751.db2.gz	NARPFIKJRXPIMT-UHFFFAOYSA-N	-1	0	320.255	0.003	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)CNC(=O)[O-]	ZINC001573338900	962883015	/nfs/dbraw/zinc/88/30/15/962883015.db2.gz	KHUGEZJPTSVTKE-QMMMGPOBSA-N	-1	0	319.789	0.996	20	30		DCEDRM
C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)[O-])C1	ZINC001573344095	962912242	/nfs/dbraw/zinc/91/22/42/962912242.db2.gz	NTXQTHIDQQURPT-GWCFXTLKSA-N	-1	0	301.774	0.977	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@@H]4C(=O)[O-])C[C@H]32)C1	ZINC001573344102	962912901	/nfs/dbraw/zinc/91/29/01/962912901.db2.gz	OFPQXZNXHVWDIN-FHUSYTEZSA-N	-1	0	318.373	0.636	20	30		DCEDRM
C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)CNC(=O)[O-]	ZINC001573353526	963003909	/nfs/dbraw/zinc/00/39/09/963003909.db2.gz	XZPAUXYFULHAMA-RYUDHWBXSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)[O-]	ZINC001573358026	963024341	/nfs/dbraw/zinc/02/43/41/963024341.db2.gz	WAWAGMUSIZQHTI-SNVBAGLBSA-N	-1	0	320.411	0.630	20	30		DCEDRM
C#CCCCS(=O)(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC001588446383	964072505	/nfs/dbraw/zinc/07/25/05/964072505.db2.gz	GCVUFMUYVPMGHZ-UHFFFAOYSA-N	-1	0	311.359	0.983	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)NCC)cc1)C(=O)[O-]	ZINC000317027105	964087396	/nfs/dbraw/zinc/08/73/96/964087396.db2.gz	SGRNBAVEDWRFRR-LBPRGKRZSA-N	-1	0	324.358	0.191	20	30		DCEDRM
N#CCCN(Cc1cccnc1)C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC000389314649	968163377	/nfs/dbraw/zinc/16/33/77/968163377.db2.gz	GLBQDMURYDZXGB-GFCCVEGCSA-N	-1	0	302.290	0.553	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnns2)n1CC(=C)C	ZINC001588426299	969881371	/nfs/dbraw/zinc/88/13/71/969881371.db2.gz	GOXGMCSUHWQURG-UHFFFAOYSA-N	-1	0	318.362	0.897	20	30		DCEDRM
C[C@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCN1CC(C)(C)O	ZINC001610090560	970662303	/nfs/dbraw/zinc/66/23/03/970662303.db2.gz	JDTPBBVKHIKMLP-XHDPSFHLSA-N	-1	0	311.382	0.295	20	30		DCEDRM
CC1(C#N)CCN(C(=O)C(=O)NCCCCCC(=O)[O-])CC1	ZINC001603290033	972542599	/nfs/dbraw/zinc/54/25/99/972542599.db2.gz	AUVXHQHKMDKZNX-UHFFFAOYSA-N	-1	0	309.366	0.900	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001603290302	972544686	/nfs/dbraw/zinc/54/46/86/972544686.db2.gz	KNYPFWKQUSGALY-XHDPSFHLSA-N	-1	0	307.350	0.462	20	30		DCEDRM
CC1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1	ZINC001603297188	972567798	/nfs/dbraw/zinc/56/77/98/972567798.db2.gz	LKFRQAKSVDGURT-UHFFFAOYSA-N	-1	0	316.317	0.605	20	30		DCEDRM
Cc1c(C#N)c(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)nn1C	ZINC001605074104	972699325	/nfs/dbraw/zinc/69/93/25/972699325.db2.gz	JLSIAIOOLQYQPP-VHSXEESVSA-N	-1	0	306.322	0.809	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001605244297	973006600	/nfs/dbraw/zinc/00/66/00/973006600.db2.gz	ASYYDCRSRUSSQJ-LBPRGKRZSA-N	-1	0	302.286	0.709	20	30		DCEDRM
C[C@H]1CN(C(=O)NC2CCN(CC#N)CC2)CC[C@H]1C(=O)[O-]	ZINC001603442863	973235965	/nfs/dbraw/zinc/23/59/65/973235965.db2.gz	LBVOASHYNOQFIG-WCQYABFASA-N	-1	0	308.382	0.727	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1C#N	ZINC001605408771	973408152	/nfs/dbraw/zinc/40/81/52/973408152.db2.gz	HBACGFOOOKCPNE-JTQLQIEISA-N	-1	0	302.290	0.133	20	30		DCEDRM
COCCn1c(CC(C)(C)C#N)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001604630165	973763522	/nfs/dbraw/zinc/76/35/22/973763522.db2.gz	ZHLBJXUXUYLNPD-LLVKDONJSA-N	-1	0	321.381	0.928	20	30		DCEDRM
N#Cc1cc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)ccc1F	ZINC001605591894	973890960	/nfs/dbraw/zinc/89/09/60/973890960.db2.gz	HDZJOOHHMINQLH-LLVKDONJSA-N	-1	0	306.249	0.540	20	30		DCEDRM
N#Cc1cc(NC(=O)c2cn(CC(=O)[O-])nn2)c(F)cc1F	ZINC001605597435	973899066	/nfs/dbraw/zinc/89/90/66/973899066.db2.gz	PZLUVSXVIBGDKL-UHFFFAOYSA-N	-1	0	307.216	0.765	20	30		DCEDRM
N#Cc1ccc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)nc1	ZINC001605611961	973921775	/nfs/dbraw/zinc/92/17/75/973921775.db2.gz	BBZXLVAZOBPYRC-HZMBPMFUSA-N	-1	0	302.290	0.518	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NC2(C(=O)[O-])CCOCC2)nc1	ZINC001605611995	973922922	/nfs/dbraw/zinc/92/29/22/973922922.db2.gz	CUTMXKDFHOGKEP-UHFFFAOYSA-N	-1	0	304.306	0.115	20	30		DCEDRM
N#Cc1ccccc1/C=C/C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001605620325	973943363	/nfs/dbraw/zinc/94/33/63/973943363.db2.gz	ZPJQEYFAFXQBEE-GFUIURDCSA-N	-1	0	314.297	0.800	20	30		DCEDRM
N#Cc1cnc(N[C@H]2CCCCN(CC(=O)[O-])C2=O)c(F)c1	ZINC001605622852	973945009	/nfs/dbraw/zinc/94/50/09/973945009.db2.gz	FJHHIKJQKQMFIX-NSHDSACASA-N	-1	0	306.297	0.970	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N([C@H](C)C(=O)[O-])C1CC1	ZINC001603724197	974159080	/nfs/dbraw/zinc/15/90/80/974159080.db2.gz	OAUFOFPASDEILO-VHSXEESVSA-N	-1	0	303.384	0.650	20	30		DCEDRM
CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001603779372	974233850	/nfs/dbraw/zinc/23/38/50/974233850.db2.gz	BYRFFUFLKRCIND-PXWWUCIGSA-N	-1	0	314.313	0.741	20	30		DCEDRM
CCOCc1nc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])no1	ZINC001603843500	974348783	/nfs/dbraw/zinc/34/87/83/974348783.db2.gz	SGZHFYWBUDAKPH-SDBXPKJASA-N	-1	0	310.310	0.788	20	30		DCEDRM
C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC001592221497	977399446	/nfs/dbraw/zinc/39/94/46/977399446.db2.gz	IQZXMHFIQIXQNK-JTQLQIEISA-N	-1	0	319.317	0.897	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N(C)C1(C(=O)[O-])CCCC1	ZINC001592222148	977405141	/nfs/dbraw/zinc/40/51/41/977405141.db2.gz	RQTUJIMOSZVBJE-JTQLQIEISA-N	-1	0	303.384	0.794	20	30		DCEDRM
CCCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@H](C)C(=O)[O-]	ZINC001595817408	982680368	/nfs/dbraw/zinc/68/03/68/982680368.db2.gz	WCRDUPUXJCIZCR-YAWLZAOSSA-N	-1	0	323.349	0.615	20	30		DCEDRM
CCCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@@H](C)C(=O)[O-]	ZINC001595817406	982680618	/nfs/dbraw/zinc/68/06/18/982680618.db2.gz	WCRDUPUXJCIZCR-NJERVBSYSA-N	-1	0	323.349	0.615	20	30		DCEDRM
CC[C@@H](C)N(CC)C(=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001594982669	982781436	/nfs/dbraw/zinc/78/14/36/982781436.db2.gz	PBYWIFANUQIOJJ-LLVKDONJSA-N	-1	0	309.366	0.850	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001573916363	983139154	/nfs/dbraw/zinc/13/91/54/983139154.db2.gz	PLJLLYKLZGZTBW-WDEREUQCSA-N	-1	0	308.334	0.793	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])o1	ZINC001574250349	983204943	/nfs/dbraw/zinc/20/49/43/983204943.db2.gz	ZHPLFEUYZZZXSP-SCZZXKLOSA-N	-1	0	314.319	0.452	20	30		DCEDRM
O=C([O-])C1(NC(=O)CCNC(=O)C2N=CC=CC2=O)CCC1	ZINC001574806294	983279022	/nfs/dbraw/zinc/27/90/22/983279022.db2.gz	ZSCYPRPJMMDTPE-VAWYXSNFSA-N	-1	0	307.306	0.026	20	30		DCEDRM
C#CC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1	ZINC001588367185	983297921	/nfs/dbraw/zinc/29/79/21/983297921.db2.gz	KUTGZZBAWVXJNT-CSJGVYOVSA-N	-1	0	307.346	0.901	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C1	ZINC001588381816	983367779	/nfs/dbraw/zinc/36/77/79/983367779.db2.gz	AWRMJZNXVXPANF-UHFFFAOYSA-N	-1	0	315.734	0.407	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC001588382387	983370996	/nfs/dbraw/zinc/37/09/96/983370996.db2.gz	OGEKOIDWCSICDI-LRDDRELGSA-N	-1	0	306.362	0.714	20	30		DCEDRM
C#C[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C1	ZINC001588383295	983380079	/nfs/dbraw/zinc/38/00/79/983380079.db2.gz	SCOUBEJCUASGFT-SNVBAGLBSA-N	-1	0	308.359	0.882	20	30		DCEDRM
C#C[C@H]1COCCN1CC(=O)N(C)c1ccccc1C(=O)[O-]	ZINC001588384019	983386394	/nfs/dbraw/zinc/38/63/94/983386394.db2.gz	SJWIMQJDAKTBHR-LBPRGKRZSA-N	-1	0	302.330	0.682	20	30		DCEDRM
C#C[C@H]1COCCN1C[C@H](O)COc1ccc(C(=O)[O-])cc1	ZINC001588384244	983388352	/nfs/dbraw/zinc/38/83/52/983388352.db2.gz	ZYPKABKDRGRPEA-KBPBESRZSA-N	-1	0	305.330	0.459	20	30		DCEDRM
C#CCC(CC#C)C(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001588390303	983393191	/nfs/dbraw/zinc/39/31/91/983393191.db2.gz	QWGLFEVGKPATBS-ZDUSSCGKSA-N	-1	0	305.330	0.658	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC001588393021	983395728	/nfs/dbraw/zinc/39/57/28/983395728.db2.gz	AGMJKTQKDDUQIK-GFCCVEGCSA-N	-1	0	318.329	0.786	20	30		DCEDRM
C#CC[C@@H](NC(=O)COCCNC(=O)c1ccccc1)C(=O)[O-]	ZINC001588405870	983423057	/nfs/dbraw/zinc/42/30/57/983423057.db2.gz	UODFCILQEPNGCX-CYBMUJFWSA-N	-1	0	318.329	0.026	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)C1CCC(C(=O)OC)CC1)C(=O)[O-]	ZINC001588423288	983451753	/nfs/dbraw/zinc/45/17/53/983451753.db2.gz	CFBIGVYIPPGKGX-ILDUYXDCSA-N	-1	0	317.363	0.114	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)C[C@H]1CCCC(C)(C)O1)C(=O)[O-]	ZINC001588423566	983453006	/nfs/dbraw/zinc/45/30/06/983453006.db2.gz	LCBMLAKFFXSJBF-MNOVXSKESA-N	-1	0	303.380	0.730	20	30		DCEDRM
C#CCC1(O)CCN(c2nnnn2C2CC(CC(=O)[O-])C2)CC1	ZINC001588432131	983467659	/nfs/dbraw/zinc/46/76/59/983467659.db2.gz	ZAJPOOOICRJOQZ-UHFFFAOYSA-N	-1	0	319.365	0.454	20	30		DCEDRM
C#CCCCC(=O)N(C)CCCNc1ccnc(C(=O)[O-])n1	ZINC001588435257	983475437	/nfs/dbraw/zinc/47/54/37/983475437.db2.gz	ILCMXXNUQLETHE-UHFFFAOYSA-N	-1	0	304.350	0.661	20	30		DCEDRM
C#CCCN1CCN(C(=O)CCc2ocnc2C(=O)[O-])CC1	ZINC001588453716	983477045	/nfs/dbraw/zinc/47/70/45/983477045.db2.gz	OQADKENZTYKBFO-UHFFFAOYSA-N	-1	0	305.334	0.473	20	30		DCEDRM
C#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC	ZINC001588463643	983491846	/nfs/dbraw/zinc/49/18/46/983491846.db2.gz	HFNBGFMNESHBHQ-UHFFFAOYSA-N	-1	0	311.315	0.425	20	30		DCEDRM
C#CCO[C@H](C)C(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588490021	983530500	/nfs/dbraw/zinc/53/05/00/983530500.db2.gz	FRADIHSDPLIYNZ-SECBINFHSA-N	-1	0	306.274	0.300	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001588491122	983534933	/nfs/dbraw/zinc/53/49/33/983534933.db2.gz	DJBIZVAXKAISBQ-UHFFFAOYSA-N	-1	0	312.347	0.359	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)CC1	ZINC001588511514	983559827	/nfs/dbraw/zinc/55/98/27/983559827.db2.gz	YYGCYXTZEOLTIU-FDYHWXHSSA-N	-1	0	306.362	0.616	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001588524162	983574103	/nfs/dbraw/zinc/57/41/03/983574103.db2.gz	AYCJADHIABOWNY-UHFFFAOYSA-N	-1	0	310.313	0.584	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)C(=O)[O-]	ZINC001588536821	983595859	/nfs/dbraw/zinc/59/58/59/983595859.db2.gz	FJLLGNKXUNYSBH-NEPJUHHUSA-N	-1	0	306.322	0.449	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(C[C@@H](C)C(=O)[O-])C1CC1	ZINC001596231178	983625877	/nfs/dbraw/zinc/62/58/77/983625877.db2.gz	HTZRIOPTCAKHJK-WDEREUQCSA-N	-1	0	317.411	0.898	20	30		DCEDRM
C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C[C@@H]2C1	ZINC001588554561	983631170	/nfs/dbraw/zinc/63/11/70/983631170.db2.gz	JIBOZSYSWNBSEL-RFQIPJPRSA-N	-1	0	320.389	0.980	20	30		DCEDRM
C=C(C)CCN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])CCO2	ZINC001588558945	983639057	/nfs/dbraw/zinc/63/90/57/983639057.db2.gz	FXHXMBNOCRBYCJ-CHWSQXEVSA-N	-1	0	308.378	0.587	20	30		DCEDRM
C=C(C)Cn1c([C@H](C)CO)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588588880	983664827	/nfs/dbraw/zinc/66/48/27/983664827.db2.gz	BTTDYVSXJCXHCC-UTUOFQBUSA-N	-1	0	324.381	0.628	20	30		DCEDRM
C=C(C)Cn1c(CCOC)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588598148	983681963	/nfs/dbraw/zinc/68/19/63/983681963.db2.gz	SNMXZADIFAMRSK-LBPRGKRZSA-N	-1	0	324.381	0.723	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O	ZINC001588614821	983708961	/nfs/dbraw/zinc/70/89/61/983708961.db2.gz	CRIOXYRAKYDDMK-ZUZCIYMTSA-N	-1	0	323.349	0.387	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CSC[C@@H]1C(=O)N(C)CC	ZINC001588618813	983712906	/nfs/dbraw/zinc/71/29/06/983712906.db2.gz	AQSQBPDNOBSIKT-SNVBAGLBSA-N	-1	0	300.380	0.787	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCC1(CS(C)(=O)=O)CC1	ZINC001588624512	983732722	/nfs/dbraw/zinc/73/27/22/983732722.db2.gz	LEIMFDSCJGJSMX-UHFFFAOYSA-N	-1	0	303.380	0.739	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc([C@@H]2NC(=O)NC2=O)cc1	ZINC001588629937	983740405	/nfs/dbraw/zinc/74/04/05/983740405.db2.gz	XXQZIJNSURKPLT-LBPRGKRZSA-N	-1	0	317.301	0.927	20	30		DCEDRM
CCN(CCNC(=O)C#CC(C)C)c1ccnc(C(=O)[O-])n1	ZINC001596329175	983766300	/nfs/dbraw/zinc/76/63/00/983766300.db2.gz	JEYVQPHNDGEQAF-UHFFFAOYSA-N	-1	0	304.350	0.777	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCc2c(cccc2S(=O)(=O)NC)C1	ZINC001588670101	983818314	/nfs/dbraw/zinc/81/83/14/983818314.db2.gz	VYPCIBLHOPOITI-LBPRGKRZSA-N	-1	0	310.375	0.592	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1	ZINC001588671721	983821809	/nfs/dbraw/zinc/82/18/09/983821809.db2.gz	HEGKYJFGLWTNKW-SNVBAGLBSA-N	-1	0	308.338	0.276	20	30		DCEDRM
C=CC(C)(C)CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC001588672925	983827557	/nfs/dbraw/zinc/82/75/57/983827557.db2.gz	DYHBPWUWGLKXTK-SNVBAGLBSA-N	-1	0	303.380	0.689	20	30		DCEDRM
C=CC(C)(C)CCn1nnnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588676903	983832141	/nfs/dbraw/zinc/83/21/41/983832141.db2.gz	JMWAWDRYHIUWCY-NSHDSACASA-N	-1	0	309.370	0.955	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001588692563	983883538	/nfs/dbraw/zinc/88/35/38/983883538.db2.gz	DYJWHMZSLILFOB-PGUXBMHVSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC001588692959	983888256	/nfs/dbraw/zinc/88/82/56/983888256.db2.gz	NTFYFEXRJQRRDN-GFCCVEGCSA-N	-1	0	320.345	0.960	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001588693338	983893346	/nfs/dbraw/zinc/89/33/46/983893346.db2.gz	WROJHLJTWYNBED-NSHDSACASA-N	-1	0	306.318	0.949	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)n1CCOC	ZINC001588705215	983926521	/nfs/dbraw/zinc/92/65/21/983926521.db2.gz	LKXDATWQTCWDSL-UEKVPHQBSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=C[C@H](OC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O)C(=O)[O-]	ZINC001588712016	983940844	/nfs/dbraw/zinc/94/08/44/983940844.db2.gz	FLSVPSLZUGKFCY-ZETCQYMHSA-N	-1	0	324.314	0.095	20	30		DCEDRM
C=CC[C@@H](OC(=O)CN1CCN(c2ccccn2)CC1)C(=O)[O-]	ZINC001588753275	984084142	/nfs/dbraw/zinc/08/41/42/984084142.db2.gz	DTYUYWBSFZLIOG-CYBMUJFWSA-N	-1	0	319.361	0.776	20	30		DCEDRM
C=CC[C@@H](OC(=O)c1cccc(S(=O)(=O)NC)c1)C(=O)[O-]	ZINC001588755878	984095834	/nfs/dbraw/zinc/09/58/34/984095834.db2.gz	DVEXNNHUYZMYMA-LLVKDONJSA-N	-1	0	313.331	0.781	20	30		DCEDRM
C=CCC1(O)CCN(Cn2nc(C(=O)[O-])cc2C(=O)OC)CC1	ZINC001588769014	984131766	/nfs/dbraw/zinc/13/17/66/984131766.db2.gz	JJWFZZRBNPMJGZ-UHFFFAOYSA-N	-1	0	323.349	0.728	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1cc2n(n1)C[C@@H](C)NC2)C(=O)[O-]	ZINC001588793288	984217589	/nfs/dbraw/zinc/21/75/89/984217589.db2.gz	VOYMJEKIVWNQDV-ZYHUDNBSSA-N	-1	0	306.366	0.914	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1cn(CC2(C)COC2)nn1)C(=O)[O-]	ZINC001588793691	984221122	/nfs/dbraw/zinc/22/11/22/984221122.db2.gz	XCFVDUPBOXDMCL-LLVKDONJSA-N	-1	0	322.365	0.854	20	30		DCEDRM
C=CCN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)[C@@H](C)COC	ZINC001588820757	984286439	/nfs/dbraw/zinc/28/64/39/984286439.db2.gz	QRLCUDFFZRCGDQ-NWDGAFQWSA-N	-1	0	312.366	0.359	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])nn2C)C1=O	ZINC001588836883	984331189	/nfs/dbraw/zinc/33/11/89/984331189.db2.gz	LRIWXDNVSHSWJE-SNVBAGLBSA-N	-1	0	321.337	0.369	20	30		DCEDRM
C=CCN1CC[C@H](OC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1=O	ZINC001588839784	984349686	/nfs/dbraw/zinc/34/96/86/984349686.db2.gz	VLNNXCFIQQGUOH-SDDRHHMPSA-N	-1	0	311.334	0.729	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1	ZINC001588849646	984373855	/nfs/dbraw/zinc/37/38/55/984373855.db2.gz	CQDLPXCPFSPJLD-VXGBXAGGSA-N	-1	0	308.334	0.080	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1=O)C(=O)[O-]	ZINC001588850761	984380004	/nfs/dbraw/zinc/38/00/04/984380004.db2.gz	CZTNMQXNNFENKM-DGCLKSJQSA-N	-1	0	312.366	0.405	20	30		DCEDRM
C=CCOCC(=O)NCC1=CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588851101	984382970	/nfs/dbraw/zinc/38/29/70/984382970.db2.gz	UGKOYYAYCCFXHB-QWHCGFSZSA-N	-1	0	322.361	0.185	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(OC(F)F)n(C)n1)C(=O)[O-]	ZINC001588859269	984404479	/nfs/dbraw/zinc/40/44/79/984404479.db2.gz	FXKXDVQZGXZPGZ-MRVPVSSYSA-N	-1	0	319.264	0.407	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnc([C@H](C)O)s1)C(=O)[O-]	ZINC001588860224	984411854	/nfs/dbraw/zinc/41/18/54/984411854.db2.gz	MQTJRPUMBIXUAU-JGVFFNPUSA-N	-1	0	300.336	0.582	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)C(=O)OC	ZINC001588862293	984418366	/nfs/dbraw/zinc/41/83/66/984418366.db2.gz	VEDMILBKFRVOKQ-CYBMUJFWSA-N	-1	0	321.329	0.788	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC001588866655	984426581	/nfs/dbraw/zinc/42/65/81/984426581.db2.gz	PUCRLEIIGNPSOI-GFCCVEGCSA-N	-1	0	310.331	0.492	20	30		DCEDRM
C=CCONC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1	ZINC001588868764	984435171	/nfs/dbraw/zinc/43/51/71/984435171.db2.gz	VYXTXZRPBKOGTO-UHFFFAOYSA-N	-1	0	317.301	0.640	20	30		DCEDRM
C=CCSCCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001588879820	984459439	/nfs/dbraw/zinc/45/94/39/984459439.db2.gz	RFHRVGIMMYXTBK-UHFFFAOYSA-N	-1	0	305.381	0.614	20	30		DCEDRM
C=CCn1c(-c2cnsn2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588890046	984483712	/nfs/dbraw/zinc/48/37/12/984483712.db2.gz	MNYQGZRWZNWQPM-MRVPVSSYSA-N	-1	0	306.351	0.894	20	30		DCEDRM
C=CCn1c(-c2cn[nH]c2)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588890366	984485824	/nfs/dbraw/zinc/48/58/24/984485824.db2.gz	ZVNZECXBCUZJTD-NSHDSACASA-N	-1	0	318.337	0.534	20	30		DCEDRM
C=CCn1c(N2CC[C@@](OC)(C(=O)[O-])C2)nnc1[C@@](C)(O)CC	ZINC001588904069	984526610	/nfs/dbraw/zinc/52/66/10/984526610.db2.gz	GDJHMFQWYAWHKD-GJZGRUSLSA-N	-1	0	324.381	0.762	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCc2nnn(C)c2C1	ZINC001524740779	1015047456	/nfs/dbraw/zinc/04/74/56/1015047456.db2.gz	QDDCHMUYRVKHNZ-VHSXEESVSA-N	-1	0	312.333	0.245	20	30		DCEDRM
C=CCn1c([C@@H](O)CC)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC001588909795	984545398	/nfs/dbraw/zinc/54/53/98/984545398.db2.gz	AODZXDKQOHJXCL-OUAUKWLOSA-N	-1	0	310.354	0.586	20	30		DCEDRM
CC#CCN1CCOC2(CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)C1	ZINC001588931062	984601205	/nfs/dbraw/zinc/60/12/05/984601205.db2.gz	KGYZEBDYEXMXNX-KBPBESRZSA-N	-1	0	320.389	0.424	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)Nc1ccc(CC#N)cc1)C(=O)[O-]	ZINC001599900110	984806032	/nfs/dbraw/zinc/80/60/32/984806032.db2.gz	ZATXKQQUGWBABE-UWVGGRQHSA-N	-1	0	318.333	0.852	20	30		DCEDRM
C[C@](C#N)(NC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O)C1CC1	ZINC001589324116	986153579	/nfs/dbraw/zinc/15/35/79/986153579.db2.gz	VOMKTZZLJYDLAI-OAHLLOKOSA-N	-1	0	314.301	0.227	20	30		DCEDRM
C[C@H](C#N)C(=O)NCCC1(CNc2ccnc(C(=O)[O-])n2)CC1	ZINC001589328685	986158510	/nfs/dbraw/zinc/15/85/10/986158510.db2.gz	GOQHTLLIWHSHCA-SNVBAGLBSA-N	-1	0	317.349	0.455	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@H](Nc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001589329171	986162190	/nfs/dbraw/zinc/16/21/90/986162190.db2.gz	KTYGQLSPFZKVHN-SCZZXKLOSA-N	-1	0	303.322	0.063	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC1CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001589330165	986171500	/nfs/dbraw/zinc/17/15/00/986171500.db2.gz	ZZWRTFRYQULVSW-VIFPVBQESA-N	-1	0	303.322	0.419	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001589330485	986173528	/nfs/dbraw/zinc/17/35/28/986173528.db2.gz	GWNRJJPAIDORAE-OUAUKWLOSA-N	-1	0	303.384	0.556	20	30		DCEDRM
C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cccnc1)n1cnc(C#N)n1	ZINC001589379221	986454926	/nfs/dbraw/zinc/45/49/26/986454926.db2.gz	ZTWVEHJTJPCKLE-GZMMTYOYSA-N	-1	0	300.278	0.048	20	30		DCEDRM
C[C@H](C(=O)NCc1ccc(C(=O)[O-])cn1)n1cnc(C#N)n1	ZINC001589414455	986633109	/nfs/dbraw/zinc/63/31/09/986633109.db2.gz	ICBRRLJEYSUPLG-MRVPVSSYSA-N	-1	0	300.278	0.120	20	30		DCEDRM
C[C@@H](C(=O)Nc1nc(CC(=O)[O-])cs1)n1cnc(C#N)n1	ZINC001589443950	986794501	/nfs/dbraw/zinc/79/45/01/986794501.db2.gz	GWGZFNYQMFGQNJ-LURJTMIESA-N	-1	0	306.307	0.433	20	30		DCEDRM
CCOc1ccc(S(=O)(=O)N(CC#N)CCC(=O)[O-])cn1	ZINC001597134741	986868346	/nfs/dbraw/zinc/86/83/46/986868346.db2.gz	YQGXZHOJEKHVOV-UHFFFAOYSA-N	-1	0	313.335	0.469	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCC2)C[C@@H](C(=O)[O-])O1	ZINC001599867614	989296113	/nfs/dbraw/zinc/29/61/13/989296113.db2.gz	FDTXVVVHZQRXAN-ZJUUUORDSA-N	-1	0	302.352	0.184	20	30		DCEDRM
CCn1ccc(NC(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001597907480	989802607	/nfs/dbraw/zinc/80/26/07/989802607.db2.gz	RALSOWQSCABLQA-UHFFFAOYSA-N	-1	0	319.321	0.058	20	30		DCEDRM
CN(C(=O)CN1CCC[C@@H](O)[C@H]1C(=O)[O-])C1(C#N)CCCCC1	ZINC001598022862	990217892	/nfs/dbraw/zinc/21/78/92/990217892.db2.gz	JDIQZXQOWFBPAN-OCCSQVGLSA-N	-1	0	323.393	0.581	20	30		DCEDRM
CN(C(=O)C[NH2+][C@@]1(CC(=O)[O-])CCOC1)C1(C#N)CCCCC1	ZINC001598025119	990233483	/nfs/dbraw/zinc/23/34/83/990233483.db2.gz	MLICJLRJECTOFX-OAHLLOKOSA-N	-1	0	323.393	0.895	20	30		DCEDRM
CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001391265419	990707539	/nfs/dbraw/zinc/70/75/39/990707539.db2.gz	QMCAVBKJGWVTML-WDEREUQCSA-N	-1	0	306.370	0.483	20	30		DCEDRM
CCCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001391265416	990708692	/nfs/dbraw/zinc/70/86/92/990708692.db2.gz	QMCAVBKJGWVTML-QWRGUYRKSA-N	-1	0	306.370	0.483	20	30		DCEDRM
CC(C)(NS(=O)(=O)CC1(C#N)CCCCC1)[C@H](O)C(=O)[O-]	ZINC001590874656	990785098	/nfs/dbraw/zinc/78/50/98/990785098.db2.gz	KUENUYITTPZIPT-SNVBAGLBSA-N	-1	0	318.395	0.604	20	30		DCEDRM
CC(C)C#CC(=O)N(C)C[C@@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001590927034	990929719	/nfs/dbraw/zinc/92/97/19/990929719.db2.gz	PGVXRSSSYWDNPO-LLVKDONJSA-N	-1	0	304.350	0.515	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@H]1CCCN1c1ccnc(C(=O)[O-])n1	ZINC001590928206	990940451	/nfs/dbraw/zinc/94/04/51/990940451.db2.gz	WPOOWUOCBUEIEB-GFCCVEGCSA-N	-1	0	316.361	0.919	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001590961137	991055526	/nfs/dbraw/zinc/05/55/26/991055526.db2.gz	LTCQSCAZBLCBGI-OAHLLOKOSA-N	-1	0	316.317	0.473	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)c1	ZINC001598287223	991186006	/nfs/dbraw/zinc/18/60/06/991186006.db2.gz	DAJLLORUZMMAJE-OAHLLOKOSA-N	-1	0	303.318	0.286	20	30		DCEDRM
CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001598364898	991511546	/nfs/dbraw/zinc/51/15/46/991511546.db2.gz	QNISISUFYXYTDR-LLVKDONJSA-N	-1	0	300.292	0.281	20	30		DCEDRM
CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001598485388	992198688	/nfs/dbraw/zinc/19/86/88/992198688.db2.gz	RSZXXNDRXFJBQA-QWHCGFSZSA-N	-1	0	302.334	0.569	20	30		DCEDRM
CN(CCN(C)c1ncccc1C#N)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001598487329	992222912	/nfs/dbraw/zinc/22/29/12/992222912.db2.gz	KUGNNKHSQUUJAW-NWDGAFQWSA-N	-1	0	302.334	0.569	20	30		DCEDRM
CC(C)CN1N=C(C(=O)N(CC#N)CCC(=O)[O-])CCC1=O	ZINC001591367248	992389350	/nfs/dbraw/zinc/38/93/50/992389350.db2.gz	RXGAXRJXMIBXLK-UHFFFAOYSA-N	-1	0	308.338	0.448	20	30		DCEDRM
CN1C[C@H](CCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1=O	ZINC001598566523	993151718	/nfs/dbraw/zinc/15/17/18/993151718.db2.gz	XHAHXNSZHDWPBZ-LLVKDONJSA-N	-1	0	322.365	0.255	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)/C=C\C(=O)c1ccc(C)cc1	ZINC001598695695	995134049	/nfs/dbraw/zinc/13/40/49/995134049.db2.gz	WTFIREDLURDLST-QDZRJHCZSA-N	-1	0	319.313	0.866	20	30		DCEDRM
C#CCCCS(=O)(=O)N[C@H]1CCN(c2nc(C)cc(=O)[nH]2)C1	ZINC001464531149	1015918992	/nfs/dbraw/zinc/91/89/92/1015918992.db2.gz	RHQAIZVQMZIQOG-LBPRGKRZSA-N	-1	0	324.406	0.402	20	30		DCEDRM
COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[C@@](O)(C(=O)[O-])C1	ZINC001598711130	995350212	/nfs/dbraw/zinc/35/02/12/995350212.db2.gz	IGBZGXXDMVPJAH-WFASDCNBSA-N	-1	0	304.302	0.294	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001598713489	995376466	/nfs/dbraw/zinc/37/64/66/995376466.db2.gz	OZQXMPFCYYVIEX-SWHYSGLUSA-N	-1	0	318.329	0.946	20	30		DCEDRM
COC(=O)[C@]1(O)CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001598723725	995505569	/nfs/dbraw/zinc/50/55/69/995505569.db2.gz	BCXJLDIVLBYFEV-WFASDCNBSA-N	-1	0	304.302	0.294	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1c[nH]c(C#N)c1	ZINC001598747127	995605765	/nfs/dbraw/zinc/60/57/65/995605765.db2.gz	WGRWADBPBAZIFE-GZMMTYOYSA-N	-1	0	305.290	0.365	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(C#N)ccn2)C1	ZINC001598771378	995886293	/nfs/dbraw/zinc/88/62/93/995886293.db2.gz	IVNSNPZSDOBKMV-CMPLNLGQSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(Cc2ccncc2C#N)C1	ZINC001598774017	995911255	/nfs/dbraw/zinc/91/12/55/995911255.db2.gz	DUHBMGONLYXHIQ-DGCLKSJQSA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(C#N)ccn1	ZINC001598777282	995943298	/nfs/dbraw/zinc/94/32/98/995943298.db2.gz	LQSVXQAOMDEWAC-YPMHNXCESA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccnc(C#N)c2)C1	ZINC001598780284	995976125	/nfs/dbraw/zinc/97/61/25/995976125.db2.gz	RKPVNUZPEYCWCC-PWSUYJOCSA-N	-1	0	317.301	0.432	20	30		DCEDRM
Cn1cnc2cc(NC(=O)Cn3cc(C#N)c(=O)[n-]c3=O)ccc21	ZINC001465486761	1016004580	/nfs/dbraw/zinc/00/45/80/1016004580.db2.gz	SCMGHQWQGCJDNJ-UHFFFAOYSA-N	-1	0	324.300	0.346	20	30		DCEDRM
COC(=O)[C@@H]1CCN(Cc2cncc(C#N)c2)[C@@H](C(=O)[O-])C1	ZINC001598804273	996169355	/nfs/dbraw/zinc/16/93/55/996169355.db2.gz	RDSIHKPJVHKLSB-CHWSQXEVSA-N	-1	0	303.318	0.791	20	30		DCEDRM
CC1(C#N)CCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)CC1	ZINC001593743425	996368023	/nfs/dbraw/zinc/36/80/23/996368023.db2.gz	YHCWTLFIEPEVCS-UHFFFAOYSA-N	-1	0	307.350	0.508	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Nc2ccc(F)nc2)c(=O)[n-]c1=O	ZINC001465857088	1016031125	/nfs/dbraw/zinc/03/11/25/1016031125.db2.gz	LJKLOSCZHQCJAS-UHFFFAOYSA-N	-1	0	318.268	0.176	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@@H]2CCCS2)c(=O)[n-]c1=O	ZINC001466072319	1016048717	/nfs/dbraw/zinc/04/87/17/1016048717.db2.gz	JAZZXVXCAZHDIZ-JTQLQIEISA-N	-1	0	308.363	0.222	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(C#N)cc1OC	ZINC001598861064	996675234	/nfs/dbraw/zinc/67/52/34/996675234.db2.gz	SUJWWRFTYNVZFG-UHFFFAOYSA-N	-1	0	306.274	0.267	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC001599079769	996970448	/nfs/dbraw/zinc/97/04/48/996970448.db2.gz	WYQBVXAVTNJKJR-CQSZACIVSA-N	-1	0	324.358	0.564	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cc(C#N)ccc1F	ZINC001598892383	997016835	/nfs/dbraw/zinc/01/68/35/997016835.db2.gz	IDIVJXJLDQNHQM-LLVKDONJSA-N	-1	0	308.265	0.834	20	30		DCEDRM
C[C@@H](C#N)CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001466533425	1016088320	/nfs/dbraw/zinc/08/83/20/1016088320.db2.gz	KOALYPNAEKETED-JTQLQIEISA-N	-1	0	315.333	0.361	20	30		DCEDRM
COc1ccc(C(=O)[O-])cc1CN1CCN(C(=O)CC#N)CC1	ZINC001599500510	997110548	/nfs/dbraw/zinc/11/05/48/997110548.db2.gz	REGNPIOSFPSGBU-UHFFFAOYSA-N	-1	0	317.345	0.951	20	30		DCEDRM
COCc1nc(NC(=O)Cn2cnc(C#N)n2)sc1C(=O)[O-]	ZINC001599302772	997260896	/nfs/dbraw/zinc/26/08/96/997260896.db2.gz	JZOFTUYHLMVTDJ-UHFFFAOYSA-N	-1	0	322.306	0.090	20	30		DCEDRM
COC(=O)c1c(N)sc(C(=O)[O-])c1Cn1ccnc1C#N	ZINC001598914082	997424225	/nfs/dbraw/zinc/42/42/25/997424225.db2.gz	LUTLJYJHGXKQHY-UHFFFAOYSA-N	-1	0	306.303	0.932	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N(C)CC#N)c1	ZINC001598921100	997565430	/nfs/dbraw/zinc/56/54/30/997565430.db2.gz	XIXPBOKTXDMWDS-UHFFFAOYSA-N	-1	0	312.303	0.315	20	30		DCEDRM
CO[C@H]1CCN(C(=O)CNc2ccc(C#N)cn2)[C@@H](C(=O)[O-])C1	ZINC001599119025	997704339	/nfs/dbraw/zinc/70/43/39/997704339.db2.gz	JVZKVPDRUZZQBB-NWDGAFQWSA-N	-1	0	318.333	0.456	20	30		DCEDRM
COCC#CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])CC2	ZINC001599138843	998091671	/nfs/dbraw/zinc/09/16/71/998091671.db2.gz	QFUGPTPYJRYCNV-KGLIPLIRSA-N	-1	0	320.389	0.281	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCC#Cc1ccccc1	ZINC001594138728	998412583	/nfs/dbraw/zinc/41/25/83/998412583.db2.gz	OGDDSMIVPKXPQV-GXTWGEPZSA-N	-1	0	314.341	0.476	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C#N)cc1	ZINC001594139599	998423859	/nfs/dbraw/zinc/42/38/59/998423859.db2.gz	BVUOKHOZDWWBSO-GWCFXTLKSA-N	-1	0	315.329	0.496	20	30		DCEDRM
CO[C@H](CS(=O)(=O)N(CC#N)CCC(=O)[O-])C1CCCC1	ZINC001599055994	999229912	/nfs/dbraw/zinc/22/99/12/999229912.db2.gz	ASQVIYHLZLLPNF-GFCCVEGCSA-N	-1	0	318.395	0.822	20	30		DCEDRM
C[C@H]1CN(C(=O)NC2CC(CC(=O)[O-])C2)C[C@H](C)N1CC#N	ZINC001594471674	999705367	/nfs/dbraw/zinc/70/53/67/999705367.db2.gz	ZVTOEYASZYXNJK-ZSVAQUKISA-N	-1	0	308.382	0.867	20	30		DCEDRM
CC(C)(NC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccc(C#N)c1	ZINC001470063501	1016385181	/nfs/dbraw/zinc/38/51/81/1016385181.db2.gz	WJXJXPGQZDXDGR-UHFFFAOYSA-N	-1	0	301.306	0.612	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c(=O)[n-]c1=O	ZINC001418426874	1000212037	/nfs/dbraw/zinc/21/20/37/1000212037.db2.gz	OGECSINSYXZBMF-ILWJIGKKSA-N	-1	0	324.287	0.371	20	30		DCEDRM
C[C@@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccncc1	ZINC001470923727	1016503117	/nfs/dbraw/zinc/50/31/17/1016503117.db2.gz	ZENCTGCNUCHVGN-JTQLQIEISA-N	-1	0	313.317	0.135	20	30		DCEDRM
COC(=O)c1cnn(CC(=O)[N-]Oc2cccc(C#N)c2)c1	ZINC001471085855	1016527719	/nfs/dbraw/zinc/52/77/19/1016527719.db2.gz	NMOKWEQTOUIRRQ-UHFFFAOYSA-N	-1	0	300.274	0.652	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@]2(CCOC2=O)C1	ZINC001420703164	1002821915	/nfs/dbraw/zinc/82/19/15/1002821915.db2.gz	AUDGFSYGQBNKGV-OAHLLOKOSA-N	-1	0	301.302	0.747	20	30		DCEDRM
Cc1cccc([C@H](O)CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001472727951	1016849363	/nfs/dbraw/zinc/84/93/63/1016849363.db2.gz	RBZUEAJXCXGXNU-GFCCVEGCSA-N	-1	0	300.318	0.399	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001427437051	1004384124	/nfs/dbraw/zinc/38/41/24/1004384124.db2.gz	CDPVNWBLMREGEU-WCBMZHEXSA-N	-1	0	305.338	0.256	20	30		DCEDRM
CCOC(=O)[C@H]1CCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001473404476	1016925072	/nfs/dbraw/zinc/92/50/72/1016925072.db2.gz	HEEBITZXFXFEDT-GFCCVEGCSA-N	-1	0	315.333	0.834	20	30		DCEDRM
N#Cc1cc(F)cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC001417573332	1005845598	/nfs/dbraw/zinc/84/55/98/1005845598.db2.gz	XTJSNTHVSDYHHD-UHFFFAOYSA-N	-1	0	312.264	0.721	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)c(=O)[n-]c1=O	ZINC001417657730	1005861713	/nfs/dbraw/zinc/86/17/13/1005861713.db2.gz	WOYJXPZLBOKBRB-VHSXEESVSA-N	-1	0	324.287	0.324	20	30		DCEDRM
CC1(C)C[C@H](CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001417889706	1005916210	/nfs/dbraw/zinc/91/62/10/1005916210.db2.gz	KVERHQMZJOLDQL-SNVBAGLBSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C[C@@H](NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001434800073	1005984663	/nfs/dbraw/zinc/98/46/63/1005984663.db2.gz	KSCSKPWPFMONQL-SNVBAGLBSA-N	-1	0	319.365	0.698	20	30		DCEDRM
CC[C@@H](C)C[C@@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001418163974	1006120465	/nfs/dbraw/zinc/12/04/65/1006120465.db2.gz	PSVAQPCURUJPLD-PWSUYJOCSA-N	-1	0	322.365	0.124	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C[C@H]1C	ZINC001418188167	1006143071	/nfs/dbraw/zinc/14/30/71/1006143071.db2.gz	LQECRJZZFYTIMY-MWLCHTKSSA-N	-1	0	303.318	0.848	20	30		DCEDRM
C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC001574098176	1163634959	/nfs/dbraw/zinc/63/49/59/1163634959.db2.gz	YBOIQMZWWOEEAG-OAQYLSRUSA-N	-1	0	309.347	0.324	20	30		DCEDRM
C=CCCOCC(=O)N(C)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001508812950	1017046475	/nfs/dbraw/zinc/04/64/75/1017046475.db2.gz	KCVLJBSIYYZXSP-SNVBAGLBSA-N	-1	0	324.381	0.593	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1CC[C@H](C(N)=O)CC1	ZINC001451742724	1006384684	/nfs/dbraw/zinc/38/46/84/1006384684.db2.gz	YUNQZUMCFPVAPU-XYPYZODXSA-N	-1	0	316.361	0.989	20	30		DCEDRM
CCc1cc(=O)n2nc(NC(=O)c3ccc(C#N)cn3)[n-]c2n1	ZINC001438068386	1007615190	/nfs/dbraw/zinc/61/51/90/1007615190.db2.gz	CTRUZRIHJXDSKV-UHFFFAOYSA-N	-1	0	309.289	0.499	20	30		DCEDRM
CCc1c(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)ccn1C	ZINC001453843644	1008755082	/nfs/dbraw/zinc/75/50/82/1008755082.db2.gz	PXQWNGXXWAHPFJ-UHFFFAOYSA-N	-1	0	315.333	0.151	20	30		DCEDRM
N#Cc1cscc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001453843601	1008755355	/nfs/dbraw/zinc/75/53/55/1008755355.db2.gz	PLVUXLFIJTXNES-UHFFFAOYSA-N	-1	0	315.314	0.184	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](C)S(=O)[C@H](C)C1	ZINC001433908756	1009334915	/nfs/dbraw/zinc/33/49/15/1009334915.db2.gz	ISUDYHVNBQJEQM-NXEZZACHSA-N	-1	0	307.375	0.949	20	30		DCEDRM
Cc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc(C)c1C#N	ZINC001433908063	1009335376	/nfs/dbraw/zinc/33/53/76/1009335376.db2.gz	WMOZBBSWWCNTMF-UHFFFAOYSA-N	-1	0	323.374	0.371	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCS(=O)(=O)C[C@H](C)C1	ZINC001433909597	1009340013	/nfs/dbraw/zinc/34/00/13/1009340013.db2.gz	NSWLEIVSQBVRIA-SECBINFHSA-N	-1	0	323.374	0.474	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](CO)[C@@H]1CCOC1	ZINC001433941132	1009376328	/nfs/dbraw/zinc/37/63/28/1009376328.db2.gz	BYQWOKZUHXPFEA-ZYHUDNBSSA-N	-1	0	305.334	0.342	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ncccc1F	ZINC001433953022	1009390918	/nfs/dbraw/zinc/39/09/18/1009390918.db2.gz	VTKFFKGRKQRCRV-MRVPVSSYSA-N	-1	0	317.280	0.232	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(c2nnn[n-]2)CC1	ZINC001455021411	1009447401	/nfs/dbraw/zinc/44/74/01/1009447401.db2.gz	NZIBOUZSSKMYGR-LBPRGKRZSA-N	-1	0	306.370	0.377	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC[C@@H]2CCCS2)c(=O)[n-]c1=O	ZINC001434241355	1009689483	/nfs/dbraw/zinc/68/94/83/1009689483.db2.gz	RGJZNKCXFZTLIT-NSHDSACASA-N	-1	0	322.390	0.613	20	30		DCEDRM
C[C@]1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H]2C[C@H]2C1	ZINC001434269642	1009707507	/nfs/dbraw/zinc/70/75/07/1009707507.db2.gz	GIJSMQPYHJBYNK-CDMJZVDBSA-N	-1	0	316.361	0.763	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)Cc1c[nH]cn1	ZINC001434301603	1009738597	/nfs/dbraw/zinc/73/85/97/1009738597.db2.gz	OMHUMNIEPFFITC-NSHDSACASA-N	-1	0	301.306	0.024	20	30		DCEDRM
N#CC1(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)CCOCC1	ZINC001434363300	1009834163	/nfs/dbraw/zinc/83/41/63/1009834163.db2.gz	BKFCYVCIOGMFRP-LLVKDONJSA-N	-1	0	304.354	0.301	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H]1C1OCCO1	ZINC001434402413	1009906133	/nfs/dbraw/zinc/90/61/33/1009906133.db2.gz	IHMOHQPPDAURGG-LLVKDONJSA-N	-1	0	303.318	0.945	20	30		DCEDRM
CCOC(=O)[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(C)(C)C	ZINC001434442418	1009958423	/nfs/dbraw/zinc/95/84/23/1009958423.db2.gz	TUVKNXDBTKBKJZ-SECBINFHSA-N	-1	0	308.338	0.335	20	30		DCEDRM
C[C@H](c1ccccc1)[C@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001434446258	1009963490	/nfs/dbraw/zinc/96/34/90/1009963490.db2.gz	HSOCQWLGEHBTFD-ZWNOBZJWSA-N	-1	0	314.345	0.522	20	30		DCEDRM
CCCC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@H](C)C#N	ZINC001443144451	1010172066	/nfs/dbraw/zinc/17/20/66/1010172066.db2.gz	UEYNWFBXDDRUAX-KOLCDFICSA-N	-1	0	321.381	0.988	20	30		DCEDRM
C[C@H](CC#N)N(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001443567513	1010498008	/nfs/dbraw/zinc/49/80/08/1010498008.db2.gz	HPDHHLXKFQZKRJ-SECBINFHSA-N	-1	0	301.306	0.640	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H]2CN(C)C(=O)[C@H](C)C#N)c1[O-]	ZINC001423721829	1011450735	/nfs/dbraw/zinc/45/07/35/1011450735.db2.gz	HUCMIZFMNJFTAO-MWLCHTKSSA-N	-1	0	319.365	0.646	20	30		DCEDRM
CN(C)c1nc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cs1	ZINC001458221108	1012109162	/nfs/dbraw/zinc/10/91/62/1012109162.db2.gz	NEHLLBAMYUXQBH-UHFFFAOYSA-N	-1	0	306.351	0.080	20	30		DCEDRM
C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001460331349	1012895340	/nfs/dbraw/zinc/89/53/40/1012895340.db2.gz	HROWCIVWTVGSIF-AEJSXWLSSA-N	-1	0	314.349	0.404	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(CC#N)CC1	ZINC001520447339	1017276707	/nfs/dbraw/zinc/27/67/07/1017276707.db2.gz	GWCUYGIMPVTPQX-UHFFFAOYSA-N	-1	0	313.365	0.818	20	30		DCEDRM
CC(C)C(NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001478177829	1017324388	/nfs/dbraw/zinc/32/43/88/1017324388.db2.gz	NUXQYOYOZRYSRW-UHFFFAOYSA-N	-1	0	321.381	0.800	20	30		DCEDRM
N#CCN1CCC(NS(=O)(=O)c2cc(C(=O)[O-])co2)CC1	ZINC001608188286	1170612307	/nfs/dbraw/zinc/61/23/07/1170612307.db2.gz	SUDPYRLIHFVBJF-UHFFFAOYSA-N	-1	0	313.335	0.244	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC001609725709	1171075323	/nfs/dbraw/zinc/07/53/23/1171075323.db2.gz	NLRDNQQKJJLKIY-UWVGGRQHSA-N	-1	0	321.424	0.357	20	30		DCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])c1c(C)nn(C)c1C	ZINC000275154798	212154856	/nfs/dbraw/zinc/15/48/56/212154856.db2.gz	ZFBRGMKDXSBMAC-LLVKDONJSA-N	-1	0	301.368	0.658	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@@]2(O)CCO[C@@H]2C)cc1C#N	ZINC001645741899	1172121007	/nfs/dbraw/zinc/12/10/07/1172121007.db2.gz	QPAPYYRXMFMKQG-CLAHSXSESA-N	-1	0	323.374	0.650	20	30		DCEDRM
C[C@H](CN(C)C(=O)C#Cc1ccc2c(c1)OCO2)c1nnn[n-]1	ZINC000183408115	237280552	/nfs/dbraw/zinc/28/05/52/237280552.db2.gz	PUCVAZOLJYXQDO-SNVBAGLBSA-N	-1	0	313.317	0.542	20	30		DCEDRM
COCCS(=O)(=O)[N-]c1nc(C)nn1-c1ccc(C#N)cc1	ZINC000156083224	291223299	/nfs/dbraw/zinc/22/32/99/291223299.db2.gz	KUYQGEWMHSQQPX-UHFFFAOYSA-N	-1	0	321.362	0.836	20	30		DCEDRM
C[C@](C#N)(NC(=O)CN1CCC[C@H](c2n[n-]c(=O)o2)C1)C1CC1	ZINC000284419643	238398776	/nfs/dbraw/zinc/39/87/76/238398776.db2.gz	XVBDMWYAUCXOAL-ZUZCIYMTSA-N	-1	0	319.365	0.351	20	30		DCEDRM
C[C@@H]1CCc2ccccc2N1C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000566738099	291320699	/nfs/dbraw/zinc/32/06/99/291320699.db2.gz	TWDGUXNBVUGHJC-LLVKDONJSA-N	-1	0	324.340	0.776	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000487434444	241081168	/nfs/dbraw/zinc/08/11/68/241081168.db2.gz	BPLTZBXCMZXBKN-ZETCQYMHSA-N	-1	0	323.334	0.359	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(C(=O)NC)cc1	ZINC000493787488	241157396	/nfs/dbraw/zinc/15/73/96/241157396.db2.gz	LSHWNIFLBFEXCT-YFHOEESVSA-N	-1	0	320.370	0.529	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-]	ZINC000275063169	212101086	/nfs/dbraw/zinc/10/10/86/212101086.db2.gz	VALBALUBJLAPQL-NSHDSACASA-N	-1	0	313.379	0.684	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]N2CCCNC2=O)c(F)c1	ZINC000275953722	130419079	/nfs/dbraw/zinc/41/90/79/130419079.db2.gz	ZVROVVSLIWIRPL-UHFFFAOYSA-N	-1	0	316.289	0.445	20	30		DCEDRM
Cc1sc(=O)n(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)c1C	ZINC000055221308	395914108	/nfs/dbraw/zinc/91/41/08/395914108.db2.gz	DXIAWYBLXKLJTJ-UHFFFAOYSA-N	-1	0	302.319	0.632	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1C#N	ZINC000261800901	396066982	/nfs/dbraw/zinc/06/69/82/396066982.db2.gz	YQTSZIDROKWONI-UHFFFAOYSA-N	-1	0	309.347	0.747	20	30		DCEDRM
COCC[C@@H](NC(=O)COc1ccc(C#N)cc1OC)C(=O)[O-]	ZINC000262302247	396120726	/nfs/dbraw/zinc/12/07/26/396120726.db2.gz	NYNXIFBLPCUOGR-LLVKDONJSA-N	-1	0	322.317	0.552	20	30		DCEDRM
C[C@@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)C(=O)[O-]	ZINC000594530461	396484295	/nfs/dbraw/zinc/48/42/95/396484295.db2.gz	YTSWDFMLHHPAJS-NSHDSACASA-N	-1	0	317.349	0.506	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2C[C@H]3CCC[C@]3(C(=O)[O-])C2)c1	ZINC000581580327	396566376	/nfs/dbraw/zinc/56/63/76/396566376.db2.gz	UDDJSXWIDVGWCI-RISCZKNCSA-N	-1	0	321.358	0.829	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000582363759	396606791	/nfs/dbraw/zinc/60/67/91/396606791.db2.gz	IDAPCNGCUKZRPL-VWYCJHECSA-N	-1	0	303.384	0.365	20	30		DCEDRM
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[N-]OCC1CC1	ZINC000293739187	396629551	/nfs/dbraw/zinc/62/95/51/396629551.db2.gz	IRJZNUNBWXKHOS-SNVBAGLBSA-N	-1	0	323.374	0.683	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	ZINC000600657757	396907118	/nfs/dbraw/zinc/90/71/18/396907118.db2.gz	JIKUYXJGOISUKR-QMMMGPOBSA-N	-1	0	308.306	0.804	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1	ZINC000591563627	396929134	/nfs/dbraw/zinc/92/91/34/396929134.db2.gz	YQFYVUWSADVSTJ-OAHLLOKOSA-N	-1	0	319.292	0.716	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCc2cnc(C)n2C1)C(=O)[O-]	ZINC000630188490	396956864	/nfs/dbraw/zinc/95/68/64/396956864.db2.gz	XGVDBYYMADZPMY-YPMHNXCESA-N	-1	0	307.350	0.526	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1cc(S(N)(=O)=O)c(C)o1)C(=O)[O-]	ZINC000630326743	396984656	/nfs/dbraw/zinc/98/46/56/396984656.db2.gz	SKBBKTGNXKGLMC-QMMMGPOBSA-N	-1	0	316.335	0.385	20	30		DCEDRM
Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)ccc1C#N	ZINC000618606467	396998580	/nfs/dbraw/zinc/99/85/80/396998580.db2.gz	JSDZAPVESLAFGG-UHFFFAOYSA-N	-1	0	305.319	0.490	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)c1	ZINC000619709036	397178808	/nfs/dbraw/zinc/17/88/08/397178808.db2.gz	XOAPZEGOXNWNDT-UHFFFAOYSA-N	-1	0	324.358	0.665	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]23)[n-]c1C#N	ZINC000598663378	397270451	/nfs/dbraw/zinc/27/04/51/397270451.db2.gz	XUHFNPFMFRNIOQ-BBBLOLIVSA-N	-1	0	312.333	0.786	20	30		DCEDRM
CCCN(CC1CC1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602029624	397287507	/nfs/dbraw/zinc/28/75/07/397287507.db2.gz	GJYVXYNQDYEMHV-UHFFFAOYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
CC1(C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C1CC1	ZINC000602153701	397325336	/nfs/dbraw/zinc/32/53/36/397325336.db2.gz	OUMQNEKCMKRPKR-GFCCVEGCSA-N	-1	0	302.334	0.468	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)c(F)c1	ZINC000578358221	397426957	/nfs/dbraw/zinc/42/69/57/397426957.db2.gz	WHBAYNKWOVSQAR-LLVKDONJSA-N	-1	0	319.308	0.973	20	30		DCEDRM
C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c1	ZINC000578291079	397415448	/nfs/dbraw/zinc/41/54/48/397415448.db2.gz	JGIXJMXWFUJQJD-LBPRGKRZSA-N	-1	0	324.358	0.450	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000495620487	397549516	/nfs/dbraw/zinc/54/95/16/397549516.db2.gz	RLXNKLWZJNOINZ-VIFPVBQESA-N	-1	0	306.384	0.779	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)OCC)C1	ZINC000495999815	397567957	/nfs/dbraw/zinc/56/79/57/397567957.db2.gz	YMXDVZKIYKHFKL-LLVKDONJSA-N	-1	0	316.379	0.324	20	30		DCEDRM
C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000579520392	397577478	/nfs/dbraw/zinc/57/74/78/397577478.db2.gz	FEABLBUXQBLHDY-GHMZBOCLSA-N	-1	0	318.381	0.641	20	30		DCEDRM
C[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000494505634	397531469	/nfs/dbraw/zinc/53/14/69/397531469.db2.gz	PZKSXQLHDSYNPY-SECBINFHSA-N	-1	0	319.383	0.649	20	30		DCEDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000263483884	300055121	/nfs/dbraw/zinc/05/51/21/300055121.db2.gz	GXXPFIPGMCHQDO-UWVGGRQHSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000122116263	158218797	/nfs/dbraw/zinc/21/87/97/158218797.db2.gz	DPVQVQFWVKUIQS-UHFFFAOYSA-N	-1	0	301.306	0.443	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccn2)c[nH]1	ZINC000352858207	415346562	/nfs/dbraw/zinc/34/65/62/415346562.db2.gz	MHSXYJBCKWCWKO-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-]	ZINC000274946946	415367985	/nfs/dbraw/zinc/36/79/85/415367985.db2.gz	FXUFHFPUCFDQLA-MRVPVSSYSA-N	-1	0	315.303	0.211	20	30		DCEDRM
CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000290748694	415823491	/nfs/dbraw/zinc/82/34/91/415823491.db2.gz	XYDIBHMXEQOULE-CYBMUJFWSA-N	-1	0	309.347	0.829	20	30		DCEDRM
C=C[C@H](CO)[N-]S(=O)(=O)[C@@H](CC(=O)OCC)C(F)(F)F	ZINC000296942853	415943756	/nfs/dbraw/zinc/94/37/56/415943756.db2.gz	GTNTUFCXZBQEFS-SFYZADRCSA-N	-1	0	319.301	0.337	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2cccc(NC(=O)C(N)=O)c2)cc1[O-]	ZINC000338272599	416068829	/nfs/dbraw/zinc/06/88/29/416068829.db2.gz	YDSZGVSSIVXFLI-UHFFFAOYSA-N	-1	0	324.296	0.940	20	30		DCEDRM
C[C@@H](CC#N)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000339270547	416154580	/nfs/dbraw/zinc/15/45/80/416154580.db2.gz	CQQQZLMWFANPTN-QMMMGPOBSA-N	-1	0	317.317	0.661	20	30		DCEDRM
CC#CCNC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1	ZINC000190187133	416276340	/nfs/dbraw/zinc/27/63/40/416276340.db2.gz	RTHTZHXMPYBOPX-LBPRGKRZSA-N	-1	0	300.318	0.582	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000342163602	416288810	/nfs/dbraw/zinc/28/88/10/416288810.db2.gz	OAPNVTDCWADJCN-SECBINFHSA-N	-1	0	318.333	0.659	20	30		DCEDRM
CC(C)(C#N)C(=O)NCCN1c2ccccc2[N-]S1(=O)=O	ZINC000352121853	416290715	/nfs/dbraw/zinc/29/07/15/416290715.db2.gz	RYMHCMRWBBNHIE-UHFFFAOYSA-N	-1	0	308.363	0.829	20	30		DCEDRM
COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2)[nH]1	ZINC000358946522	416296974	/nfs/dbraw/zinc/29/69/74/416296974.db2.gz	PQCVWIZNOWEBCN-UHFFFAOYSA-N	-1	0	321.318	0.193	20	30		DCEDRM
CN(C)c1ccc(S(=O)(=O)[N-]c2ncc(C#N)s2)cn1	ZINC000589586789	416525267	/nfs/dbraw/zinc/52/52/67/416525267.db2.gz	BMQMMDVUWINFEK-UHFFFAOYSA-N	-1	0	309.376	1.277	20	30		DCEDRM
CCc1c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)[nH]c(C)c1C(N)=O	ZINC000439904373	416623179	/nfs/dbraw/zinc/62/31/79/416623179.db2.gz	SVQQCHKZLHTXPB-UHFFFAOYSA-N	-1	0	311.305	0.703	20	30		DCEDRM
Cc1cc(C(=O)N2CC[C@](F)(C#N)C2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000615664998	416882276	/nfs/dbraw/zinc/88/22/76/416882276.db2.gz	ULCFKGVTVIXEDK-AWEZNQCLSA-N	-1	0	317.280	0.822	20	30		DCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1(C#N)CCCCC1	ZINC000519679093	416926851	/nfs/dbraw/zinc/92/68/51/416926851.db2.gz	MWVIURPXAIEHDD-NSHDSACASA-N	-1	0	318.395	0.822	20	30		DCEDRM
N#Cc1cc(NCc2n[nH]c(=O)[n-]2)nc2ccc([N+](=O)[O-])cc12	ZINC000446855484	416950487	/nfs/dbraw/zinc/95/04/87/416950487.db2.gz	BXUHVVBOECXBMV-UHFFFAOYSA-N	-1	0	311.261	1.450	20	30		DCEDRM
C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)CC1(CC#N)CC1	ZINC000521632293	417022871	/nfs/dbraw/zinc/02/28/71/417022871.db2.gz	RLQGWJHCBLFYFL-JTQLQIEISA-N	-1	0	304.368	0.168	20	30		DCEDRM
C=CCCn1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)nn1	ZINC000567720248	417066713	/nfs/dbraw/zinc/06/67/13/417066713.db2.gz	UZXNQDUUAQEJIY-GFCCVEGCSA-N	-1	0	322.365	0.950	20	30		DCEDRM
CC(C)CN(CCC(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000570051385	417307611	/nfs/dbraw/zinc/30/76/11/417307611.db2.gz	YWPNSDLKXDQQLM-LLVKDONJSA-N	-1	0	305.400	0.755	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCC(=O)[O-])C(C)C	ZINC000572965424	417465906	/nfs/dbraw/zinc/46/59/06/417465906.db2.gz	OMZRADHVFCPBKV-NSHDSACASA-N	-1	0	305.400	0.898	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCOCC1	ZINC000576204751	417588326	/nfs/dbraw/zinc/58/83/26/417588326.db2.gz	TUDAXONQGMVOES-NWDGAFQWSA-N	-1	0	312.366	0.901	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)CC1	ZINC000576403104	417607072	/nfs/dbraw/zinc/60/70/72/417607072.db2.gz	QAQDVUMMFRRZMC-NXEZZACHSA-N	-1	0	302.352	0.089	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@H]1CCOC1(C)C)C(=O)[O-]	ZINC000663269414	418005218	/nfs/dbraw/zinc/00/52/18/418005218.db2.gz	NJRKQWHTRIETPN-WDEREUQCSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCOCCNS(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC000663429840	418018677	/nfs/dbraw/zinc/01/86/77/418018677.db2.gz	HZSISJSDVOZONP-UHFFFAOYSA-N	-1	0	321.376	0.936	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000659664695	418139887	/nfs/dbraw/zinc/13/98/87/418139887.db2.gz	OBYLRTVEOXGFAR-NEPJUHHUSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C[C@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)n1cnc(C#N)n1	ZINC000355818882	261369917	/nfs/dbraw/zinc/36/99/17/261369917.db2.gz	KLCGERVFCOHARS-MRVPVSSYSA-N	-1	0	324.304	0.840	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1	ZINC000422680691	262423419	/nfs/dbraw/zinc/42/34/19/262423419.db2.gz	BUTXBVGMZNBMHD-HNNXBMFYSA-N	-1	0	319.292	0.959	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1F	ZINC000422679063	262423620	/nfs/dbraw/zinc/42/36/20/262423620.db2.gz	REGJWEVVTGSQMA-VIFPVBQESA-N	-1	0	319.292	0.959	20	30		DCEDRM
CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)NC	ZINC000452095742	267196158	/nfs/dbraw/zinc/19/61/58/267196158.db2.gz	XQTFGCHMACRYIK-SNVBAGLBSA-N	-1	0	317.317	0.639	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)s1	ZINC000435483534	268261244	/nfs/dbraw/zinc/26/12/44/268261244.db2.gz	LIJVUVDRNPREOO-UHFFFAOYSA-N	-1	0	311.348	0.102	20	30		DCEDRM
Cn1nncc1S(=O)(=O)[N-]C(=O)/C=C/c1cccc(C#N)c1	ZINC000492701721	272143230	/nfs/dbraw/zinc/14/32/30/272143230.db2.gz	GVGVDZBXTUMTTM-AATRIKPKSA-N	-1	0	317.330	0.205	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1C(N)=O	ZINC000546885662	288033075	/nfs/dbraw/zinc/03/30/75/288033075.db2.gz	JIQZQZOFORBLBY-UHFFFAOYSA-N	-1	0	323.309	0.629	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000547892682	288089375	/nfs/dbraw/zinc/08/93/75/288089375.db2.gz	HSZWINLGTOCTPN-VIFPVBQESA-N	-1	0	318.738	0.590	20	30		DCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cc1F	ZINC000548233847	288123483	/nfs/dbraw/zinc/12/34/83/288123483.db2.gz	BIAJXUDFFGAIKR-JTQLQIEISA-N	-1	0	316.310	0.417	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC000548536048	288151473	/nfs/dbraw/zinc/15/14/73/288151473.db2.gz	OWDLSQOMZGLCPO-DGCLKSJQSA-N	-1	0	324.358	0.635	20	30		DCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(F)cc1C#N	ZINC000548565194	288155091	/nfs/dbraw/zinc/15/50/91/288155091.db2.gz	FUDDXNXVWQHQBN-JTQLQIEISA-N	-1	0	316.310	0.417	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000548769792	288174898	/nfs/dbraw/zinc/17/48/98/288174898.db2.gz	IYTHOOWHHVVUAP-VIFPVBQESA-N	-1	0	300.292	0.252	20	30		DCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCOC[C@H]1C#N	ZINC000194204311	280291629	/nfs/dbraw/zinc/29/16/29/280291629.db2.gz	HRZTTYGBLCRQTJ-BDAKNGLRSA-N	-1	0	307.272	0.440	20	30		DCEDRM
Cc1cnn(C[C@H](NS(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])c1	ZINC000554533427	288326970	/nfs/dbraw/zinc/32/69/70/288326970.db2.gz	VUNBMXSXZPNDGS-JTQLQIEISA-N	-1	0	324.318	0.088	20	30		DCEDRM
CCOC[C@H](NS(=O)(=O)c1cc(C#N)ccc1C)C(=O)[O-]	ZINC000555128927	288344600	/nfs/dbraw/zinc/34/46/00/288344600.db2.gz	KUDDJJRXSNZUKR-NSHDSACASA-N	-1	0	312.347	0.635	20	30		DCEDRM
CN1C[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)c2ccccc2C1=O	ZINC000364830524	290302048	/nfs/dbraw/zinc/30/20/48/290302048.db2.gz	QAGMFACPWHDPET-NSHDSACASA-N	-1	0	320.312	0.961	20	30		DCEDRM
CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000021802404	293864835	/nfs/dbraw/zinc/86/48/35/293864835.db2.gz	WYHTWWIAGZDGDQ-PWSUYJOCSA-N	-1	0	310.331	0.421	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CCc1scnc1C	ZINC000570799147	332817439	/nfs/dbraw/zinc/81/74/39/332817439.db2.gz	PTGITAWADGSVNJ-UHFFFAOYSA-N	-1	0	304.393	0.896	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@@H](Cn1nc(C)cc1C)C(=O)[O-]	ZINC000566045666	331942408	/nfs/dbraw/zinc/94/24/08/331942408.db2.gz	MSADKWOROXFIHC-LBPRGKRZSA-N	-1	0	315.395	0.839	20	30		DCEDRM
CCOC(=O)C[C@H](S[C@H](C)C(=O)N(C)CCC#N)C(=O)[O-]	ZINC001573786322	1159232236	/nfs/dbraw/zinc/23/22/36/1159232236.db2.gz	OZPMGFRXZQOXOM-ZJUUUORDSA-N	-1	0	316.379	0.887	20	30		DCEDRM
CS(=O)(=O)N1CCCN(C(=O)N=c2cn[n-]s2)CC1	ZINC000330257367	336130444	/nfs/dbraw/zinc/13/04/44/336130444.db2.gz	LLLWSBQSSWZNJZ-UHFFFAOYSA-N	-1	0	305.385	0.051	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)NCCC[C@@H](C)C(=O)[O-]	ZINC000583087586	337234057	/nfs/dbraw/zinc/23/40/57/337234057.db2.gz	BWJGHOIHORRNET-LLVKDONJSA-N	-1	0	321.399	0.184	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)s1	ZINC000584507800	337352402	/nfs/dbraw/zinc/35/24/02/337352402.db2.gz	XXFWJHWPEZXNFH-XCBNKYQSSA-N	-1	0	316.360	0.388	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCCc1c(C)noc1C)C(=O)[O-]	ZINC000572463662	337663199	/nfs/dbraw/zinc/66/31/99/337663199.db2.gz	QMBGGSSQFZNBMH-GFCCVEGCSA-N	-1	0	311.338	0.789	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@H]1CCOC(C)(C)C1)C(=O)[O-]	ZINC000514772781	337970605	/nfs/dbraw/zinc/97/06/05/337970605.db2.gz	JFIAKLPUPXFUQB-WDEREUQCSA-N	-1	0	300.355	0.899	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC(C)(C)C	ZINC000495896495	339994233	/nfs/dbraw/zinc/99/42/33/339994233.db2.gz	XWPJHGBGLFWPPL-VIFPVBQESA-N	-1	0	304.368	0.369	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C	ZINC000496604082	340008746	/nfs/dbraw/zinc/00/87/46/340008746.db2.gz	GNJWYTULBHDTIY-OUAUKWLOSA-N	-1	0	300.355	0.979	20	30		DCEDRM
Cn1cc(S(=O)(=O)N2CCC(F)(C#N)CC2)cc1C(=O)[O-]	ZINC000505842633	340179464	/nfs/dbraw/zinc/17/94/64/340179464.db2.gz	NJHMCICJGRPSGH-UHFFFAOYSA-N	-1	0	315.326	0.740	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Cn2ccnn2)cc1	ZINC000528921117	340739412	/nfs/dbraw/zinc/73/94/12/340739412.db2.gz	TVZZMXKHGJWZLS-AWEZNQCLSA-N	-1	0	309.329	0.927	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CCCCC1	ZINC000548238193	341253021	/nfs/dbraw/zinc/25/30/21/341253021.db2.gz	BOXZVOBBSAVKEQ-GHMZBOCLSA-N	-1	0	316.379	0.310	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000548556227	341266064	/nfs/dbraw/zinc/26/60/64/341266064.db2.gz	UKUUXFYWKSRLMQ-NSHDSACASA-N	-1	0	315.326	0.631	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NC(C)(C)C[C@H](C)C(=O)[O-]	ZINC000565055812	341516035	/nfs/dbraw/zinc/51/60/35/341516035.db2.gz	KUZVDCGQHVFUIC-ZJUUUORDSA-N	-1	0	305.400	0.802	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000568001851	341644971	/nfs/dbraw/zinc/64/49/71/341644971.db2.gz	JYDIPGPJCJIOFB-RKDXNWHRSA-N	-1	0	307.397	0.172	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000568002636	341645011	/nfs/dbraw/zinc/64/50/11/341645011.db2.gz	IDGJSCCJEWEIPJ-PSASIEDQSA-N	-1	0	317.392	0.800	20	30		DCEDRM
CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000573450043	341728765	/nfs/dbraw/zinc/72/87/65/341728765.db2.gz	XUMZRFLIYQBABP-GHMZBOCLSA-N	-1	0	305.400	0.754	20	30		DCEDRM
CSCC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000574210508	341751438	/nfs/dbraw/zinc/75/14/38/341751438.db2.gz	LKIMVGCUMIXAMT-BDAKNGLRSA-N	-1	0	309.413	0.119	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000577734373	341932812	/nfs/dbraw/zinc/93/28/12/341932812.db2.gz	JYLKOYRYGXMWLX-LLVKDONJSA-N	-1	0	309.366	0.756	20	30		DCEDRM
N#CCCCS(=O)(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC001601066332	1159780132	/nfs/dbraw/zinc/78/01/32/1159780132.db2.gz	ABBMLHNIKIOSDO-QWRGUYRKSA-N	-1	0	304.368	0.479	20	30		DCEDRM
N#CCCN1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1	ZINC001601068342	1159780412	/nfs/dbraw/zinc/78/04/12/1159780412.db2.gz	UFMDTQXNBFWJMT-UHFFFAOYSA-N	-1	0	315.395	0.102	20	30		DCEDRM
CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC001606072318	1159794558	/nfs/dbraw/zinc/79/45/58/1159794558.db2.gz	PBEALWIOTVJERP-NSHDSACASA-N	-1	0	316.360	0.749	20	30		DCEDRM
C[C@H](CN(C)C(=O)COc1ccc(C#N)cc1)c1nnn[n-]1	ZINC000124630480	524277705	/nfs/dbraw/zinc/27/77/05/524277705.db2.gz	ZZFRIAUBMHIZLT-SNVBAGLBSA-N	-1	0	300.322	0.712	20	30		DCEDRM
C=CCOCCCC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000188790408	526744433	/nfs/dbraw/zinc/74/44/33/526744433.db2.gz	QPWASKPNYYLDLZ-UHFFFAOYSA-N	-1	0	303.322	0.877	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CNC(=O)c1cccs1)C(=O)[O-]	ZINC000263047701	526786338	/nfs/dbraw/zinc/78/63/38/526786338.db2.gz	PRWFVWNMGVLPHR-SECBINFHSA-N	-1	0	312.347	0.250	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)C(=O)OC	ZINC000360616965	526793877	/nfs/dbraw/zinc/79/38/77/526793877.db2.gz	CXJMGFKKTWMNCR-NWDGAFQWSA-N	-1	0	321.395	0.219	20	30		DCEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)NCCCC(=O)[O-])c1	ZINC000263187139	527057250	/nfs/dbraw/zinc/05/72/50/527057250.db2.gz	WZBMHHBKPJSGHW-UHFFFAOYSA-N	-1	0	324.358	0.193	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2CCC(O)(C(=O)[O-])CC2)cc1	ZINC000262537856	527093233	/nfs/dbraw/zinc/09/32/33/527093233.db2.gz	UPENMLPPNWXILV-UHFFFAOYSA-N	-1	0	303.314	0.750	20	30		DCEDRM
C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC)o1)C(=O)[O-]	ZINC000262768628	527443781	/nfs/dbraw/zinc/44/37/81/527443781.db2.gz	ADESPFWFQCUMOU-MRVPVSSYSA-N	-1	0	316.335	0.337	20	30		DCEDRM
C=CCC[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)[O-]	ZINC000262793510	527475365	/nfs/dbraw/zinc/47/53/65/527475365.db2.gz	BZVLYXJTMHPNPZ-JTQLQIEISA-N	-1	0	309.278	0.292	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000267222075	528396822	/nfs/dbraw/zinc/39/68/22/528396822.db2.gz	DDHMAJHUPCIHEG-UHFFFAOYSA-N	-1	0	323.334	0.360	20	30		DCEDRM
C=C(C)COCCNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000164127374	545874034	/nfs/dbraw/zinc/87/40/34/545874034.db2.gz	OQYYUWHMOYTSJD-UHFFFAOYSA-N	-1	0	300.355	0.760	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1	ZINC000735408924	598855203	/nfs/dbraw/zinc/85/52/03/598855203.db2.gz	VESNBATTZYMLOQ-UHFFFAOYSA-N	-1	0	321.362	0.779	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NCCCC(=O)[O-])n(CCC#N)n1	ZINC000820997149	597343443	/nfs/dbraw/zinc/34/34/43/597343443.db2.gz	VVHVKMRBRHHHHQ-UHFFFAOYSA-N	-1	0	307.310	0.025	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC000821329814	597456586	/nfs/dbraw/zinc/45/65/86/597456586.db2.gz	LXWNTFMBMZYWIH-LBPRGKRZSA-N	-1	0	301.302	0.364	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCC1CCS(=O)(=O)CC1	ZINC000819835664	597607085	/nfs/dbraw/zinc/60/70/85/597607085.db2.gz	WSBPNFQLGPIGMS-CYBMUJFWSA-N	-1	0	316.379	0.322	20	30		DCEDRM
Cc1nc([C@@H]2CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO2)no1	ZINC000821165531	597611128	/nfs/dbraw/zinc/61/11/28/597611128.db2.gz	RFURTMIUTBICEQ-ZANVPECISA-N	-1	0	308.294	0.283	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000819810962	597634133	/nfs/dbraw/zinc/63/41/33/597634133.db2.gz	IWLTXRLOCJPEQY-WBMJQRKESA-N	-1	0	321.377	0.756	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000819835958	597634276	/nfs/dbraw/zinc/63/42/76/597634276.db2.gz	YVSLXYQPOOLHTF-ABAIWWIYSA-N	-1	0	324.308	0.686	20	30		DCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)N1CCCC[C@@H]1C	ZINC000820114553	597643362	/nfs/dbraw/zinc/64/33/62/597643362.db2.gz	PGAFQAFETNGICY-ZIBATOQPSA-N	-1	0	309.366	0.897	20	30		DCEDRM
CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000820377641	597650140	/nfs/dbraw/zinc/65/01/40/597650140.db2.gz	CKVWZPCQJCYIIN-LALPHHSUSA-N	-1	0	324.377	0.769	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H]1[C@H](O)C(F)(F)F	ZINC000819811170	597658151	/nfs/dbraw/zinc/65/81/51/597658151.db2.gz	LAVPZIPNGNLWDA-POZPLHJXSA-N	-1	0	308.256	0.905	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000819823044	598221398	/nfs/dbraw/zinc/22/13/98/598221398.db2.gz	RKUMERXAKYKREB-HNNXBMFYSA-N	-1	0	319.317	0.569	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCNC(=O)c1ccc(F)cc1	ZINC000819841768	598224872	/nfs/dbraw/zinc/22/48/72/598224872.db2.gz	CTJKFUCGBWBGLF-OAHLLOKOSA-N	-1	0	321.308	0.676	20	30		DCEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NCc1ccco1	ZINC000820114885	598225573	/nfs/dbraw/zinc/22/55/73/598225573.db2.gz	RYUJRBJLXJBVBV-OTYXRUKQSA-N	-1	0	307.306	0.405	20	30		DCEDRM
CC(C)c1nnc2n1C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000820061535	598226161	/nfs/dbraw/zinc/22/61/61/598226161.db2.gz	IUVCVGRQKDJEKD-BONVTDFDSA-N	-1	0	319.365	0.837	20	30		DCEDRM
CNC(=O)c1cccc(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000820640676	598228526	/nfs/dbraw/zinc/22/85/26/598228526.db2.gz	JARUGOVUZIUOSF-INIZCTEOSA-N	-1	0	317.345	0.709	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cn(-c2ccccc2)nn1	ZINC000819849131	598230004	/nfs/dbraw/zinc/23/00/04/598230004.db2.gz	XHIMHUANOMGXHH-OAHLLOKOSA-N	-1	0	313.317	0.888	20	30		DCEDRM
COc1ncc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1C(N)=O	ZINC000820885827	598230571	/nfs/dbraw/zinc/23/05/71/598230571.db2.gz	MUQIJIUOQCYTKD-ZDUSSCGKSA-N	-1	0	306.278	0.132	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(N2CCCCC2=O)CC1	ZINC000819811638	598230595	/nfs/dbraw/zinc/23/05/95/598230595.db2.gz	SQYNSTSBQZJENT-MRXNPFEDSA-N	-1	0	321.377	0.994	20	30		DCEDRM
CN(CCCC(=O)NCCNc1ccc(C#N)cn1)C(=O)[O-]	ZINC000737425810	599731658	/nfs/dbraw/zinc/73/16/58/599731658.db2.gz	ILSXMKRPNYWJTC-UHFFFAOYSA-N	-1	0	305.338	0.871	20	30		DCEDRM
Cc1cc(-c2nn[nH]n2)ccc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000826243707	607399255	/nfs/dbraw/zinc/39/92/55/607399255.db2.gz	RXTDODSADHALHA-GFCCVEGCSA-N	-1	0	310.317	0.776	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)NCCSCC(=O)[O-])nc1	ZINC000739120705	599899491	/nfs/dbraw/zinc/89/94/91/599899491.db2.gz	CHQQHNRXMSCXNA-UHFFFAOYSA-N	-1	0	323.378	0.482	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)NCCCCC(=O)[O-])cc1	ZINC000739102022	599997165	/nfs/dbraw/zinc/99/71/65/599997165.db2.gz	NCLNGYIFFFPSIV-UHFFFAOYSA-N	-1	0	303.318	0.659	20	30		DCEDRM
N#Cc1ccc(N2CCC(NC(=O)CCC(=O)[O-])CC2)nc1	ZINC000738432420	600092197	/nfs/dbraw/zinc/09/21/97/600092197.db2.gz	LUIWPUJBVRDBLH-UHFFFAOYSA-N	-1	0	302.334	0.903	20	30		DCEDRM
C#Cc1ccc(C(=O)OCC(=O)N[C@H](CC(C)C)C(=O)[O-])cn1	ZINC000736092772	600118829	/nfs/dbraw/zinc/11/88/29/600118829.db2.gz	JWMWVDYQURWEKK-CYBMUJFWSA-N	-1	0	318.329	0.835	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCO1	ZINC000093932660	600231185	/nfs/dbraw/zinc/23/11/85/600231185.db2.gz	IACRBLCHSRMTSU-LBPRGKRZSA-N	-1	0	310.331	0.439	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCO1	ZINC000739066554	600322201	/nfs/dbraw/zinc/32/22/01/600322201.db2.gz	OTNVMSVBVPNAGT-SECBINFHSA-N	-1	0	321.264	0.213	20	30		DCEDRM
C=C(Cl)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC000736094302	600328853	/nfs/dbraw/zinc/32/88/53/600328853.db2.gz	AQUSUKBSWMQKEJ-NSHDSACASA-N	-1	0	324.720	0.734	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1	ZINC000736089415	600346694	/nfs/dbraw/zinc/34/66/94/600346694.db2.gz	KSLUFHJUFPXURB-JTQLQIEISA-N	-1	0	304.302	0.474	20	30		DCEDRM
COc1cc(OCC(=O)N(CC#N)CC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000737901612	600400457	/nfs/dbraw/zinc/40/04/57/600400457.db2.gz	DCGYZMNRLTWEID-UHFFFAOYSA-N	-1	0	323.261	0.419	20	30		DCEDRM
Cn1cc(-c2nc(C(=O)N(CC#N)CC(=O)[O-])cs2)cn1	ZINC000739015076	600401870	/nfs/dbraw/zinc/40/18/70/600401870.db2.gz	DSDLHIDTLPEBLT-UHFFFAOYSA-N	-1	0	305.319	0.594	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C(=O)c1cnn(-c2ccccc2)c1	ZINC000739075185	600404988	/nfs/dbraw/zinc/40/49/88/600404988.db2.gz	AQIBGKKFKQTGCZ-UHFFFAOYSA-N	-1	0	312.285	0.492	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)CCCC(=O)[O-])c(F)c1	ZINC000738432764	600498957	/nfs/dbraw/zinc/49/89/57/600498957.db2.gz	QWUUSCDUYDOLPZ-UHFFFAOYSA-N	-1	0	300.311	0.982	20	30		DCEDRM
CN(C)C(=O)N1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000737349946	600563632	/nfs/dbraw/zinc/56/36/32/600563632.db2.gz	NUJHRRXTPMKALP-AWEZNQCLSA-N	-1	0	316.361	0.983	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)C2=NNC(=O)CC2)C(=O)[O-])cc1	ZINC000739110595	600603766	/nfs/dbraw/zinc/60/37/66/600603766.db2.gz	RJKDWFDVYVPPLA-LBPRGKRZSA-N	-1	0	301.258	0.493	20	30		DCEDRM
O=C([O-])[C@@H]1CCCCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000740308026	600660919	/nfs/dbraw/zinc/66/09/19/600660919.db2.gz	SDSVQOHMTXHDFE-NJERVBSYSA-N	-1	0	321.333	0.369	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000070393995	600737710	/nfs/dbraw/zinc/73/77/10/600737710.db2.gz	XLLXYJLPTYSUKY-SNVBAGLBSA-N	-1	0	314.294	0.171	20	30		DCEDRM
CC(C)CNC(=O)N1CCC[C@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000736444660	600787840	/nfs/dbraw/zinc/78/78/40/600787840.db2.gz	ZKMJTAFAGHWWPI-LBPRGKRZSA-N	-1	0	324.381	0.501	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1	ZINC000736076696	600902426	/nfs/dbraw/zinc/90/24/26/600902426.db2.gz	SPRLHSXBEYARQN-CYBMUJFWSA-N	-1	0	316.313	0.114	20	30		DCEDRM
N#Cc1cccnc1N1CCN(c2cncc(C(=O)[O-])n2)CC1	ZINC000833077028	600999916	/nfs/dbraw/zinc/99/99/16/600999916.db2.gz	WAMXKTCDQLASJM-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
C[C@@](C#N)(NC(=O)CN1CCSC[C@@H]1CC(=O)[O-])C1CC1	ZINC000825967217	601015284	/nfs/dbraw/zinc/01/52/84/601015284.db2.gz	ROJFUEBROFOBIS-FZMZJTMJSA-N	-1	0	311.407	0.687	20	30		DCEDRM
Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1C(=O)[O-]	ZINC000832937088	601165125	/nfs/dbraw/zinc/16/51/25/601165125.db2.gz	AULZKDRRHFANBG-NSHDSACASA-N	-1	0	317.301	0.383	20	30		DCEDRM
C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)CCCCC#N)CC1	ZINC000827385984	601258908	/nfs/dbraw/zinc/25/89/08/601258908.db2.gz	QARNONJONZAFBZ-LBPRGKRZSA-N	-1	0	317.411	0.491	20	30		DCEDRM
N#Cc1cccc([C@H](C(=O)[O-])N2CCCS(=O)(=O)CC2)c1	ZINC000833074312	601318440	/nfs/dbraw/zinc/31/84/40/601318440.db2.gz	UWHDVXLOHLAQNE-CYBMUJFWSA-N	-1	0	308.359	0.804	20	30		DCEDRM
CC(=O)NC[C@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC000825875664	601318493	/nfs/dbraw/zinc/31/84/93/601318493.db2.gz	IPPXEMYPOXYEJW-GJZGRUSLSA-N	-1	0	317.345	0.521	20	30		DCEDRM
C#CCN1CCN(C(=O)COc2ccc(C(=O)[O-])cc2)CC1	ZINC000825619362	601388209	/nfs/dbraw/zinc/38/82/09/601388209.db2.gz	LEOIXZYNAAIERT-UHFFFAOYSA-N	-1	0	302.330	0.541	20	30		DCEDRM
C=C(C)CN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21	ZINC000825642481	601407288	/nfs/dbraw/zinc/40/72/88/601407288.db2.gz	TXJMSPBIQGWHJE-UHFFFAOYSA-N	-1	0	320.330	0.841	20	30		DCEDRM
C/C(=C/COC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000825765114	601423056	/nfs/dbraw/zinc/42/30/56/601423056.db2.gz	MIUINOPFLJSDPY-POHAHGRESA-N	-1	0	302.286	0.862	20	30		DCEDRM
C[C@@H](OC(=O)c1cc(C#N)c[nH]1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000827843100	601430682	/nfs/dbraw/zinc/43/06/82/601430682.db2.gz	CZFXWGHWANQTED-SECBINFHSA-N	-1	0	319.317	0.755	20	30		DCEDRM
N#Cc1ccc(OC[C@H](O)CN2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000833071820	601561972	/nfs/dbraw/zinc/56/19/72/601561972.db2.gz	PKRFPUPHCDJLTP-TZMCWYRMSA-N	-1	0	306.318	0.083	20	30		DCEDRM
COC(=O)C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC000831147934	601573298	/nfs/dbraw/zinc/57/32/98/601573298.db2.gz	LTBSXJCMHXWGTN-UKRRQHHQSA-N	-1	0	318.329	0.948	20	30		DCEDRM
N#CCn1c(CN(CC(=O)[O-])C2CC2)nc2ccccc2c1=O	ZINC000833068960	601581079	/nfs/dbraw/zinc/58/10/79/601581079.db2.gz	IQOVLYCHDINAHW-UHFFFAOYSA-N	-1	0	312.329	0.969	20	30		DCEDRM
O=C(C#Cc1ccccc1)NC1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC000833092048	601719018	/nfs/dbraw/zinc/71/90/18/601719018.db2.gz	MGZUTGUPRSCEGK-UHFFFAOYSA-N	-1	0	321.354	0.186	20	30		DCEDRM
C=C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC000825653811	601763697	/nfs/dbraw/zinc/76/36/97/601763697.db2.gz	SLUBJEYDSKUBJB-QMMMGPOBSA-N	-1	0	320.301	0.801	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)CCc2nnc[nH]2)C(=O)[O-])cc1	ZINC000833072693	602089372	/nfs/dbraw/zinc/08/93/72/602089372.db2.gz	PDQIXSYZPKCCSZ-ZDUSSCGKSA-N	-1	0	300.274	0.978	20	30		DCEDRM
COc1ccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)cc1C#N	ZINC000826208564	607544462	/nfs/dbraw/zinc/54/44/62/607544462.db2.gz	QDCSDPBMBPGGNF-UHFFFAOYSA-N	-1	0	321.304	0.446	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@@H](CNC(=O)[O-])c2ccccc2)CCO1	ZINC000831076179	602872801	/nfs/dbraw/zinc/87/28/01/602872801.db2.gz	HKFKKDGDXVGIAV-OLZOCXBDSA-N	-1	0	303.318	0.789	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N(C)CC(C)(C)CNC(=O)[O-]	ZINC000828273392	603453092	/nfs/dbraw/zinc/45/30/92/603453092.db2.gz	NIDDCAGGDIUBOK-UHFFFAOYSA-N	-1	0	306.388	0.302	20	30		DCEDRM
CN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000828086366	603476892	/nfs/dbraw/zinc/47/68/92/603476892.db2.gz	SXSGVTXWUWSZLN-JTQLQIEISA-N	-1	0	310.335	0.326	20	30		DCEDRM
COc1ccccc1CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000829619737	603594126	/nfs/dbraw/zinc/59/41/26/603594126.db2.gz	XQKULAQRUIZMIR-GFCCVEGCSA-N	-1	0	303.318	0.952	20	30		DCEDRM
NC(=O)c1ccc(N=NCc2ccc(NC(=O)[O-])nc2)nn1	ZINC000831234859	603605733	/nfs/dbraw/zinc/60/57/33/603605733.db2.gz	XUDKRALVORRWRH-UHFFFAOYSA-N	-1	0	301.266	0.506	20	30		DCEDRM
CN(CCCNC(=O)[O-])C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000828293358	603671812	/nfs/dbraw/zinc/67/18/12/603671812.db2.gz	LWTYXYJNRKEBIP-UHFFFAOYSA-N	-1	0	322.296	0.752	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)NC(C1CC1)C1CC1	ZINC000831092406	603726385	/nfs/dbraw/zinc/72/63/85/603726385.db2.gz	VNUVSVRTEWFEBP-GFCCVEGCSA-N	-1	0	306.366	0.479	20	30		DCEDRM
CC(C)(CNC(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC000823972582	603746895	/nfs/dbraw/zinc/74/68/95/603746895.db2.gz	CMPSVKZCOUJBJF-CQSZACIVSA-N	-1	0	311.338	0.632	20	30		DCEDRM
C#CCOc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000823466430	603771076	/nfs/dbraw/zinc/77/10/76/603771076.db2.gz	ABMAEUATBDPHLN-YPMHNXCESA-N	-1	0	304.302	0.750	20	30		DCEDRM
N#CCN1CCC(NC(=O)N2CCC[C@@H]2CNC(=O)[O-])CC1	ZINC000831102400	603775711	/nfs/dbraw/zinc/77/57/11/603775711.db2.gz	JDSGGWUJOFEKBM-GFCCVEGCSA-N	-1	0	309.370	0.416	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000823467470	603800180	/nfs/dbraw/zinc/80/01/80/603800180.db2.gz	XFMJJCYGFQSBAK-QWHCGFSZSA-N	-1	0	318.329	0.428	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@]2(C)CCN(C(=O)[O-])C2)CC1	ZINC000823455255	603903132	/nfs/dbraw/zinc/90/31/32/603903132.db2.gz	BAJZBDWMCHZTMZ-MRXNPFEDSA-N	-1	0	321.377	0.364	20	30		DCEDRM
C[C@@H]1CCCCN1S(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825901325	603915319	/nfs/dbraw/zinc/91/53/19/603915319.db2.gz	OHZRVBLXXIPBTE-MNOVXSKESA-N	-1	0	316.383	0.293	20	30		DCEDRM
C[C@H](C(=O)OCC(=O)NCC#N)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823731606	604023267	/nfs/dbraw/zinc/02/32/67/604023267.db2.gz	PAXMFYIZOGZLEM-GWCFXTLKSA-N	-1	0	319.317	0.814	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1[nH]nc2ccccc21	ZINC000831086053	604068140	/nfs/dbraw/zinc/06/81/40/604068140.db2.gz	AXTQEUBFRNDNEL-JTQLQIEISA-N	-1	0	313.317	0.820	20	30		DCEDRM
CC(C)(C)N1C[C@H](C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)CC1=O	ZINC000823772551	604071892	/nfs/dbraw/zinc/07/18/92/604071892.db2.gz	NCSLKSZEBIAEAW-MNOVXSKESA-N	-1	0	322.365	0.348	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000831141334	604073792	/nfs/dbraw/zinc/07/37/92/604073792.db2.gz	GVYDVISGIKWJDP-GFCCVEGCSA-N	-1	0	314.301	0.651	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(N)nc(Cl)c1	ZINC000831087572	604082700	/nfs/dbraw/zinc/08/27/00/604082700.db2.gz	NESRTSYPQLHRQV-QMMMGPOBSA-N	-1	0	309.713	0.645	20	30		DCEDRM
COc1ccc(OCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000829500423	604083307	/nfs/dbraw/zinc/08/33/07/604083307.db2.gz	KJNMVMYCBGNTPN-LLVKDONJSA-N	-1	0	319.317	0.788	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cn1cc2ccccc2n1	ZINC000831087962	604089556	/nfs/dbraw/zinc/08/95/56/604089556.db2.gz	UWMHJIPIJJCBOG-GFCCVEGCSA-N	-1	0	313.317	0.751	20	30		DCEDRM
CN(C[C@@H]1CCN(C(=O)Nc2nn(C)cc2C#N)C1)C(=O)[O-]	ZINC000828253849	604154919	/nfs/dbraw/zinc/15/49/19/604154919.db2.gz	SHTDSNHLTXDKEV-VIFPVBQESA-N	-1	0	306.326	0.755	20	30		DCEDRM
CN1CCN(C(=O)C#Cc2ccccc2)[C@@H](CNC(=O)[O-])C1	ZINC000828486648	604398740	/nfs/dbraw/zinc/39/87/40/604398740.db2.gz	DZAFBTFIKMCILW-AWEZNQCLSA-N	-1	0	301.346	0.448	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1	ZINC000314406776	604465067	/nfs/dbraw/zinc/46/50/67/604465067.db2.gz	AGTPXWMOIIKCOR-UHFFFAOYSA-N	-1	0	322.386	0.465	20	30		DCEDRM
CC(C)C[C@H](C#N)NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000833473917	604539793	/nfs/dbraw/zinc/53/97/93/604539793.db2.gz	JLYWRSJLVXCCQT-SECBINFHSA-N	-1	0	300.340	0.184	20	30		DCEDRM
C#CCOCCC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC000833364397	604552603	/nfs/dbraw/zinc/55/26/03/604552603.db2.gz	QHUCGONYUJLUHJ-UHFFFAOYSA-N	-1	0	318.329	0.870	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCO1	ZINC000825346510	604617807	/nfs/dbraw/zinc/61/78/07/604617807.db2.gz	YFBWXSSOLCYACS-NVBFEUDRSA-N	-1	0	324.381	0.152	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)C#Cc2ccccc2)CCO1	ZINC000825292868	604670968	/nfs/dbraw/zinc/67/09/68/604670968.db2.gz	CRQCYPWHTUXDBL-TZMCWYRMSA-N	-1	0	302.330	0.922	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)COc1cccc(C#N)c1	ZINC000829954716	604735532	/nfs/dbraw/zinc/73/55/32/604735532.db2.gz	JVRYNHRCEAZIPU-CYBMUJFWSA-N	-1	0	306.318	0.885	20	30		DCEDRM
C[C@@H](CNC(=O)[O-])N(C)C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000824952022	604856896	/nfs/dbraw/zinc/85/68/96/604856896.db2.gz	HKEXHWBFHHKXDA-JTQLQIEISA-N	-1	0	304.302	0.881	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823466817	604858216	/nfs/dbraw/zinc/85/82/16/604858216.db2.gz	JEFQCCWHPSSBHU-AWEZNQCLSA-N	-1	0	318.329	0.694	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000827461200	604865671	/nfs/dbraw/zinc/86/56/71/604865671.db2.gz	PZFACEWBBGSVIV-ZETCQYMHSA-N	-1	0	309.709	0.987	20	30		DCEDRM
C#CCCN1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1	ZINC000833365669	605021042	/nfs/dbraw/zinc/02/10/42/605021042.db2.gz	WXEBOMCZALDDJQ-UHFFFAOYSA-N	-1	0	322.386	0.714	20	30		DCEDRM
CCCn1c(C)nnc1Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000833653080	605027284	/nfs/dbraw/zinc/02/72/84/605027284.db2.gz	VBWARGJMQJFYMV-UHFFFAOYSA-N	-1	0	301.306	0.776	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)C[C@@H]1CCCN1C(=O)[O-]	ZINC000831097883	605483676	/nfs/dbraw/zinc/48/36/76/605483676.db2.gz	XKADNOVZSLAPQD-AWEZNQCLSA-N	-1	0	310.398	0.677	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000819705754	605498129	/nfs/dbraw/zinc/49/81/29/605498129.db2.gz	DEVTVXBQXBPSPW-UHFFFAOYSA-N	-1	0	304.302	0.018	20	30		DCEDRM
C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NC1CCN(CC#N)CC1	ZINC000825817989	605527159	/nfs/dbraw/zinc/52/71/59/605527159.db2.gz	VBJLBNSRNVWFJE-DGCLKSJQSA-N	-1	0	323.397	0.804	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000833375570	605674852	/nfs/dbraw/zinc/67/48/52/605674852.db2.gz	FWKJIDAXDSRDLS-UHFFFAOYSA-N	-1	0	310.281	0.781	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)(C)C)CC1	ZINC000823456092	605677711	/nfs/dbraw/zinc/67/77/11/605677711.db2.gz	JVYUIJPZMOVEQB-GFCCVEGCSA-N	-1	0	323.393	0.657	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)Cn1cnc(C#N)n1	ZINC000825193476	605683158	/nfs/dbraw/zinc/68/31/58/605683158.db2.gz	IVDVDNUVXCIJBG-VHSXEESVSA-N	-1	0	306.326	0.187	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1	ZINC000739133807	605683325	/nfs/dbraw/zinc/68/33/25/605683325.db2.gz	PKAXFWQRWODXTP-LBPRGKRZSA-N	-1	0	316.317	0.755	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@H](O)COc1ccc(F)cc1	ZINC000833966339	605685252	/nfs/dbraw/zinc/68/52/52/605685252.db2.gz	KKRGUPPVQBSMCK-SCDSUCTJSA-N	-1	0	323.324	0.657	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cnc(C#N)n1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000825127468	605686463	/nfs/dbraw/zinc/68/64/63/605686463.db2.gz	LHSGFPCOUSKAQF-ZJUUUORDSA-N	-1	0	306.326	0.044	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)NCC1CN(C(=O)[O-])C1	ZINC000833970141	605726153	/nfs/dbraw/zinc/72/61/53/605726153.db2.gz	MYEGMUMXFALKFU-UHFFFAOYSA-N	-1	0	313.310	0.585	20	30		DCEDRM
COC(=O)CN(CC#N)C(=O)CN(C(=O)[O-])c1ccccc1	ZINC000828682688	605733081	/nfs/dbraw/zinc/73/30/81/605733081.db2.gz	AYSDLLNQZHITPL-UHFFFAOYSA-N	-1	0	305.290	0.696	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCCN(C(=O)[O-])CC2)cc1	ZINC000833973778	605834066	/nfs/dbraw/zinc/83/40/66/605834066.db2.gz	QWSSMRUIGQMTNA-CYBMUJFWSA-N	-1	0	303.318	0.804	20	30		DCEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1nccc(N2CCOCC2)n1	ZINC000834171237	605861716	/nfs/dbraw/zinc/86/17/16/605861716.db2.gz	XJIIUKCLBJZZTI-SNVBAGLBSA-N	-1	0	320.353	0.901	20	30		DCEDRM
N#CCN1CCN(C(=O)[C@@H]2CC23CCN(C(=O)[O-])CC3)CC1	ZINC000833966364	605965609	/nfs/dbraw/zinc/96/56/09/605965609.db2.gz	DVSLAPAXAWNSAH-LBPRGKRZSA-N	-1	0	306.366	0.434	20	30		DCEDRM
N#C[C@H]1CSCCN1C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000833966111	605978617	/nfs/dbraw/zinc/97/86/17/605978617.db2.gz	HNXAJDNWAJHABP-QWRGUYRKSA-N	-1	0	313.379	0.613	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[C@H](CC(F)F)NC(=O)[O-])CCN1C1CC1	ZINC000833968999	606045799	/nfs/dbraw/zinc/04/57/99/606045799.db2.gz	ZCBOWBKUDJQWSX-UWVGGRQHSA-N	-1	0	316.308	0.477	20	30		DCEDRM
N#C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CCCCC1	ZINC000822801539	607221841	/nfs/dbraw/zinc/22/18/41/607221841.db2.gz	KLYNUBVPTMYORC-JTQLQIEISA-N	-1	0	315.341	0.047	20	30		DCEDRM
CCCn1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cn1	ZINC000825356608	609434966	/nfs/dbraw/zinc/43/49/66/609434966.db2.gz	AFKUVOPSTUMALI-UHFFFAOYSA-N	-1	0	312.297	0.320	20	30		DCEDRM
C=C[C@@](C)(O)C(=O)NC[C@H](Cc1ccccc1OC)C(=O)[O-]	ZINC000909381872	660453329	/nfs/dbraw/zinc/45/33/29/660453329.db2.gz	ASHRXGJWCKQVSR-BLLLJJGKSA-N	-1	0	307.346	0.992	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)NCCOC[C@@H]1CCOC1)C(=O)[O-]	ZINC000908947693	663775915	/nfs/dbraw/zinc/77/59/15/663775915.db2.gz	FXYIGQIJCQOYJJ-GHMZBOCLSA-N	-1	0	320.773	0.935	20	30		DCEDRM
C#CCN1CCCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CC1	ZINC000981566471	661174533	/nfs/dbraw/zinc/17/45/33/661174533.db2.gz	ZIJMLWOCKQFXSI-UHFFFAOYSA-N	-1	0	318.421	0.542	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001032605676	665411350	/nfs/dbraw/zinc/41/13/50/665411350.db2.gz	FVROZETWRRNOJC-ZIBATOQPSA-N	-1	0	305.382	0.898	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C)C#N)C[C@H]32)c1[O-]	ZINC000971837385	657846031	/nfs/dbraw/zinc/84/60/31/657846031.db2.gz	IICHHPFNYMSHOW-FBIMIBRVSA-N	-1	0	317.349	0.256	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)[C@@H]1CCCO1	ZINC000926544056	657910955	/nfs/dbraw/zinc/91/09/55/657910955.db2.gz	YYIOHHGQEMOMFD-KGLIPLIRSA-N	-1	0	323.370	0.773	20	30		DCEDRM
O=C([N-]S(=O)(=O)N1CCCC1)c1cnn(-c2ccccc2)n1	ZINC000052772593	657963003	/nfs/dbraw/zinc/96/30/03/657963003.db2.gz	FSAKJZAAACLAMH-UHFFFAOYSA-N	-1	0	321.362	0.913	20	30		DCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2cc([O-])ccc2[N+](=O)[O-])c1=O	ZINC000255044993	658420167	/nfs/dbraw/zinc/42/01/67/658420167.db2.gz	RGLDXVZZBJGNFM-DJWKRKHSSA-N	-1	0	317.257	0.996	20	30		DCEDRM
COc1ccc(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c([O-])c1	ZINC000255508424	658469965	/nfs/dbraw/zinc/46/99/65/658469965.db2.gz	KBEPGWHODSGNQE-DAXSKMNVSA-N	-1	0	316.313	0.694	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)c(C)o1	ZINC000860721072	658542660	/nfs/dbraw/zinc/54/26/60/658542660.db2.gz	WVCKHSFFLPIGCW-UHFFFAOYSA-N	-1	0	319.360	0.074	20	30		DCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000781489226	658922715	/nfs/dbraw/zinc/92/27/15/658922715.db2.gz	XJIUEENOFDMUON-UHFFFAOYSA-N	-1	0	307.375	0.903	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CCC[C@@H](NCC#N)C2)cc1=O	ZINC000999628289	665667595	/nfs/dbraw/zinc/66/75/95/665667595.db2.gz	ZHXNCQSPBYBDOV-CYBMUJFWSA-N	-1	0	319.409	0.479	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)c1[O-]	ZINC000974976363	659748328	/nfs/dbraw/zinc/74/83/28/659748328.db2.gz	VJNJUVPPAKZOIB-JMJZKYOTSA-N	-1	0	317.349	0.256	20	30		DCEDRM
CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000760400732	668270204	/nfs/dbraw/zinc/27/02/04/668270204.db2.gz	OOVGYUGNQFTFMT-SNVBAGLBSA-N	-1	0	315.395	0.431	20	30		DCEDRM
CCc1noc2ncc(C([O-])=C(C#N)C(=O)NCCOC)cc12	ZINC000728147118	662354285	/nfs/dbraw/zinc/35/42/85/662354285.db2.gz	AKUFWJKZAQLIEW-NSHDSACASA-N	-1	0	316.317	0.870	20	30		DCEDRM
C[C@H]1[C@H](NCC#N)CCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1	ZINC000986393318	662588058	/nfs/dbraw/zinc/58/80/58/662588058.db2.gz	AAAOYDMURCTYKL-GXSJLCMTSA-N	-1	0	301.350	0.776	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000729884468	662911864	/nfs/dbraw/zinc/91/18/64/662911864.db2.gz	URJKLSNQKMQSBH-UHFFFAOYSA-N	-1	0	300.292	0.602	20	30		DCEDRM
C=CCCNC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC000898848277	663110281	/nfs/dbraw/zinc/11/02/81/663110281.db2.gz	KZBIFDFRWVDZEQ-LOIXOFCESA-N	-1	0	310.350	0.858	20	30		DCEDRM
COCC1(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)CC1	ZINC000899926354	663201073	/nfs/dbraw/zinc/20/10/73/663201073.db2.gz	LAFFOWHYQBNXJF-NSHDSACASA-N	-1	0	301.364	0.295	20	30		DCEDRM
COCC[C@H](C)S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899925443	663201242	/nfs/dbraw/zinc/20/12/42/663201242.db2.gz	DGAZFCZJTCCMFH-NWDGAFQWSA-N	-1	0	303.380	0.541	20	30		DCEDRM
C[C@H]1CCCCN1S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899930017	663201699	/nfs/dbraw/zinc/20/16/99/663201699.db2.gz	NWHUMCDWRZVXAS-QWHCGFSZSA-N	-1	0	314.407	0.906	20	30		DCEDRM
COC1CCN(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)CC1	ZINC000901772667	663366902	/nfs/dbraw/zinc/36/69/02/663366902.db2.gz	VWCKHHPXFHFWLO-SECBINFHSA-N	-1	0	315.317	0.776	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)C2)O1	ZINC000905586742	663567379	/nfs/dbraw/zinc/56/73/79/663567379.db2.gz	XVSMEGUVBYASTD-XUJVJEKNSA-N	-1	0	312.366	0.995	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2ncn(C)c2Cl)C1	ZINC000906007022	663595308	/nfs/dbraw/zinc/59/53/08/663595308.db2.gz	QPDSICXBCCIAAZ-UHFFFAOYSA-N	-1	0	319.770	0.725	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)C23CC(C(=O)[O-])(C2)C3)c1	ZINC000908743815	663767799	/nfs/dbraw/zinc/76/77/99/663767799.db2.gz	OYMKTJNPJWBPNH-UHFFFAOYSA-N	-1	0	312.325	0.978	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000908960480	663777117	/nfs/dbraw/zinc/77/71/17/663777117.db2.gz	FKWFXICPVAULOQ-CYBMUJFWSA-N	-1	0	320.345	0.988	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCN(c2ccccn2)C1	ZINC000909085401	663780565	/nfs/dbraw/zinc/78/05/65/663780565.db2.gz	BWLZVQXHDLZJCU-LBPRGKRZSA-N	-1	0	304.350	0.943	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)NC[C@@]1(OC)CCOC1)C(=O)[O-]	ZINC000909191253	663786105	/nfs/dbraw/zinc/78/61/05/663786105.db2.gz	RDWCVGRZVKSVAH-SKDRFNHKSA-N	-1	0	306.746	0.687	20	30		DCEDRM
N#C[C@H](CO)[N-]C(=O)C(F)(F)c1ncccc1Br	ZINC000909306517	663793636	/nfs/dbraw/zinc/79/36/36/663793636.db2.gz	SWVAIJYMONMOHY-ZCFIWIBFSA-N	-1	0	320.093	0.937	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1c(C)nn2c1nc(C)cc2C)C(=O)[O-]	ZINC000910052047	663837399	/nfs/dbraw/zinc/83/73/99/663837399.db2.gz	MCAFVENVEQSSJR-LLVKDONJSA-N	-1	0	300.318	0.861	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(N2CCOCC2)ccn1)C(=O)[O-]	ZINC000910052046	663837550	/nfs/dbraw/zinc/83/75/50/663837550.db2.gz	LXZBKLBILWDLHC-LBPRGKRZSA-N	-1	0	303.318	0.125	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cncc(N2CCOCC2)c1)C(=O)[O-]	ZINC000910047999	663840535	/nfs/dbraw/zinc/84/05/35/663840535.db2.gz	BLYISRNJWXGKBX-CYBMUJFWSA-N	-1	0	303.318	0.125	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(N2CCC(O)CC2)cc1)C(=O)[O-]	ZINC000910049942	663841098	/nfs/dbraw/zinc/84/10/98/663841098.db2.gz	APOBOHLQVCAVGP-HNNXBMFYSA-N	-1	0	316.357	0.854	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccccc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000910278062	663863192	/nfs/dbraw/zinc/86/31/92/663863192.db2.gz	GQLDYNDHIGAWNA-YABSGUDNSA-N	-1	0	322.386	0.918	20	30		DCEDRM
C#CC1(O)CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1	ZINC000912972161	664252279	/nfs/dbraw/zinc/25/22/79/664252279.db2.gz	YEIWJXGLYNOUGQ-UHFFFAOYSA-N	-1	0	313.313	0.630	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC3(C2)CCN(CC#N)CC3)c1[O-]	ZINC001040671660	664589878	/nfs/dbraw/zinc/58/98/78/664589878.db2.gz	NOOFAXAZMHEFNC-UHFFFAOYSA-N	-1	0	303.366	0.875	20	30		DCEDRM
Cn1cc(CC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000171327613	664607240	/nfs/dbraw/zinc/60/72/40/664607240.db2.gz	IFXJGWBJVLRLIZ-UHFFFAOYSA-N	-1	0	304.331	0.339	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@@H](NCC#N)[C@@H]3C2)c1[O-]	ZINC000992702782	664759727	/nfs/dbraw/zinc/75/97/27/664759727.db2.gz	ZVFAKZTWDCVCLZ-QJPTWQEYSA-N	-1	0	303.366	0.778	20	30		DCEDRM
COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000914375568	664774966	/nfs/dbraw/zinc/77/49/66/664774966.db2.gz	GNUQPHQOJKHQLU-ZETCQYMHSA-N	-1	0	316.301	0.950	20	30		DCEDRM
Cc1nc2sccn2c1C=NN=c1nc2[nH][nH]cc-2c([O-])n1	ZINC000731154789	664841356	/nfs/dbraw/zinc/84/13/56/664841356.db2.gz	DFIMOBVUAANWAZ-UHFFFAOYSA-N	-1	0	314.334	0.896	20	30		DCEDRM
COCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC000732523782	664943443	/nfs/dbraw/zinc/94/34/43/664943443.db2.gz	WYMOCWUNQZLDIX-JTQLQIEISA-N	-1	0	312.347	0.418	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2ccc3c(c2)OCCO3)c1=O	ZINC000916303277	665066354	/nfs/dbraw/zinc/06/63/54/665066354.db2.gz	BBFWFCVBVCETSJ-UHFFFAOYSA-N	-1	0	304.331	0.889	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)cc1	ZINC000916869007	665098093	/nfs/dbraw/zinc/09/80/93/665098093.db2.gz	YHMMHULXYUFXTL-CYBMUJFWSA-N	-1	0	317.345	0.651	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(N2CCNC2=O)cc1	ZINC000916921861	665101172	/nfs/dbraw/zinc/10/11/72/665101172.db2.gz	XWXQFWAVUYQGKO-ZDUSSCGKSA-N	-1	0	312.329	0.841	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(OCC(N)=O)cc1	ZINC000916945658	665103954	/nfs/dbraw/zinc/10/39/54/665103954.db2.gz	VDPGTYQJZFEPSG-LBPRGKRZSA-N	-1	0	303.318	0.398	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(S(=O)(=O)N(C)C)c1	ZINC000917002350	665108201	/nfs/dbraw/zinc/10/82/01/665108201.db2.gz	LWMZTAJDNMGRKH-NSHDSACASA-N	-1	0	309.347	0.005	20	30		DCEDRM
COc1ccccc1/C=C\C(=O)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000033553454	665171609	/nfs/dbraw/zinc/17/16/09/665171609.db2.gz	CIJLIBNWWZNIEI-HJWRWDBZSA-N	-1	0	316.313	0.694	20	30		DCEDRM
C#CCSCCNC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000919874553	665241126	/nfs/dbraw/zinc/24/11/26/665241126.db2.gz	BBKJRLPNLAPZCB-UHFFFAOYSA-N	-1	0	309.395	0.766	20	30		DCEDRM
C[C@H](Oc1cccc(C=NNCCS(C)(=O)=O)c1)C(=O)[O-]	ZINC000733205837	666347142	/nfs/dbraw/zinc/34/71/42/666347142.db2.gz	NWPUDRJDQMRZDQ-JTQLQIEISA-N	-1	0	314.363	0.507	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)cn1	ZINC000073087624	666564835	/nfs/dbraw/zinc/56/48/35/666564835.db2.gz	FLNWSIDLSDWZDS-UHFFFAOYSA-N	-1	0	306.307	0.156	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000861257675	666913238	/nfs/dbraw/zinc/91/32/38/666913238.db2.gz	DSNWVQJTFYFRLF-UHFFFAOYSA-N	-1	0	310.285	0.895	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000734972428	666929428	/nfs/dbraw/zinc/92/94/28/666929428.db2.gz	ATVZIXMISVGOGR-UHFFFAOYSA-N	-1	0	317.388	0.861	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000861715184	666964111	/nfs/dbraw/zinc/96/41/11/666964111.db2.gz	JZVHYNNXUJCOCF-WDEREUQCSA-N	-1	0	312.391	0.038	20	30		DCEDRM
C=CCOc1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1	ZINC000735437681	666987682	/nfs/dbraw/zinc/98/76/82/666987682.db2.gz	ORFBBAGJCIHOJB-CYBMUJFWSA-N	-1	0	315.333	0.978	20	30		DCEDRM
C=C[C@H](CO)NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC000862229135	667032037	/nfs/dbraw/zinc/03/20/37/667032037.db2.gz	QGVOCPHFMFSDLM-SSDOTTSWSA-N	-1	0	306.240	0.735	20	30		DCEDRM
CC(=NNC1=NCC(=O)N1)c1cccc(OCCCC(=O)[O-])c1	ZINC000863177450	667116199	/nfs/dbraw/zinc/11/61/99/667116199.db2.gz	OTRTWPFSBJTHIA-UHFFFAOYSA-N	-1	0	318.333	0.730	20	30		DCEDRM
O=C([O-])Cn1cc(C=NNCC(F)(F)C(F)(F)F)nn1	ZINC000863181545	667116377	/nfs/dbraw/zinc/11/63/77/667116377.db2.gz	PXDPIRIDZZMOLL-UHFFFAOYSA-N	-1	0	301.175	0.484	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-]	ZINC000864188927	667222810	/nfs/dbraw/zinc/22/28/10/667222810.db2.gz	XXYFXQMTIMTAMJ-YIZRAAEISA-N	-1	0	311.256	0.868	20	30		DCEDRM
C#CCCCCNC(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC000864525660	667258489	/nfs/dbraw/zinc/25/84/89/667258489.db2.gz	IOKUSWNKDMKORL-NEPJUHHUSA-N	-1	0	310.350	0.838	20	30		DCEDRM
N#C[C@@]1(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CCCOC1	ZINC000923072270	667460520	/nfs/dbraw/zinc/46/05/20/667460520.db2.gz	FNJONHBZISXODS-TUKIKUTGSA-N	-1	0	308.334	0.256	20	30		DCEDRM
N#CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CCCC1	ZINC000737640516	667630310	/nfs/dbraw/zinc/63/03/10/667630310.db2.gz	BUGKBHIDPSZUKX-UHFFFAOYSA-N	-1	0	300.322	0.366	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C	ZINC000869153406	667631685	/nfs/dbraw/zinc/63/16/85/667631685.db2.gz	SFIXRAPGMSATKZ-KGLIPLIRSA-N	-1	0	322.365	0.332	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H](CC#N)c1ccccc1	ZINC000838799711	667707448	/nfs/dbraw/zinc/70/74/48/667707448.db2.gz	DEOJRQIJNMPNEY-GFCCVEGCSA-N	-1	0	324.358	0.693	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000838803298	667708426	/nfs/dbraw/zinc/70/84/26/667708426.db2.gz	LQVMATJYVDPGIK-UHFFFAOYSA-N	-1	0	310.331	0.110	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C)c(N2CCOCC2)c1	ZINC000870155038	667715631	/nfs/dbraw/zinc/71/56/31/667715631.db2.gz	RRLXGXXXSGSIMX-ZDUSSCGKSA-N	-1	0	301.346	0.900	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(-n2cccn2)c1	ZINC000740529397	667746265	/nfs/dbraw/zinc/74/62/65/667746265.db2.gz	MGVLYNVLBGWHGC-LBPRGKRZSA-N	-1	0	313.317	0.352	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccc3nnc(C)n3c2)CC1	ZINC000870832670	667765094	/nfs/dbraw/zinc/76/50/94/667765094.db2.gz	OCVNPQGZNCUSPN-UHFFFAOYSA-N	-1	0	306.347	0.816	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCNC(=O)CC(C)C)CC1	ZINC000870835044	667765444	/nfs/dbraw/zinc/76/54/44/667765444.db2.gz	ZGZJMVLZUKRETN-UHFFFAOYSA-N	-1	0	302.396	0.703	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)OC)C2)CC1	ZINC000870837558	667765446	/nfs/dbraw/zinc/76/54/46/667765446.db2.gz	QJPBSIBAFSYWRD-VHSXEESVSA-N	-1	0	301.364	0.740	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-]	ZINC000871771802	667848068	/nfs/dbraw/zinc/84/80/68/667848068.db2.gz	KKQZMMFHOUEEHM-MDZLAQPJSA-N	-1	0	306.343	0.899	20	30		DCEDRM
C#C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)[C@@H]1CCCO1	ZINC000872477353	667901301	/nfs/dbraw/zinc/90/13/01/667901301.db2.gz	HBBVGAMCOSDCFS-ZHYXMNDGSA-N	-1	0	322.452	0.898	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cc(C(N)=O)cs2)CC1	ZINC000753946125	668038435	/nfs/dbraw/zinc/03/84/35/668038435.db2.gz	YQXGCMJNMWTHJG-UHFFFAOYSA-N	-1	0	313.360	0.210	20	30		DCEDRM
COc1cc(C=NNC(=S)N(C)C)ccc1OCC(=O)[O-]	ZINC000755708022	668064342	/nfs/dbraw/zinc/06/43/42/668064342.db2.gz	AKVPZJHNWJLEQR-UHFFFAOYSA-N	-1	0	311.363	0.929	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000756500703	668090569	/nfs/dbraw/zinc/09/05/69/668090569.db2.gz	PDQXUHAKAADNRB-UHFFFAOYSA-N	-1	0	309.343	0.734	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCOC2=O)c(F)c1	ZINC000757870120	668150425	/nfs/dbraw/zinc/15/04/25/668150425.db2.gz	UPVOEAZMZMWJQF-VIFPVBQESA-N	-1	0	302.258	0.430	20	30		DCEDRM
Cn1ncc2c1ncn(N=Cc1ccc([O-])c([N+](=O)[O-])c1)c2=O	ZINC000874194075	668157330	/nfs/dbraw/zinc/15/73/30/668157330.db2.gz	PTKLVCBSRXLCFR-UHFFFAOYSA-N	-1	0	314.261	0.626	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnc2nccnc2c1	ZINC000760198003	668262032	/nfs/dbraw/zinc/26/20/32/668262032.db2.gz	OGMOUEXLBDVQIG-NSHDSACASA-N	-1	0	313.317	0.500	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1cccs1	ZINC000762050645	668344876	/nfs/dbraw/zinc/34/48/76/668344876.db2.gz	SGTUEQPFZZEGHB-UHFFFAOYSA-N	-1	0	318.376	0.126	20	30		DCEDRM
Cc1cn2ccnc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c2n1	ZINC000764053300	668432885	/nfs/dbraw/zinc/43/28/85/668432885.db2.gz	OETGTLVNWQWUBV-UHFFFAOYSA-N	-1	0	321.362	0.647	20	30		DCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000764196995	668438082	/nfs/dbraw/zinc/43/80/82/668438082.db2.gz	XXPRGCVVPXKEOZ-SNVBAGLBSA-N	-1	0	312.347	0.418	20	30		DCEDRM
COc1ccc(C=NN2C(=O)CNC2=O)c(OCC(=O)[O-])c1	ZINC000770618387	668703116	/nfs/dbraw/zinc/70/31/16/668703116.db2.gz	NRAMNWOZWAPNQY-UHFFFAOYSA-N	-1	0	307.262	0.044	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCNC(=O)C(C)(C)C	ZINC000770730044	668709709	/nfs/dbraw/zinc/70/97/09/668709709.db2.gz	HYSGORAJMZTQNH-SNVBAGLBSA-N	-1	0	304.350	0.864	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)COc1cccc([N+](=O)[O-])c1	ZINC000772712706	668781823	/nfs/dbraw/zinc/78/18/23/668781823.db2.gz	DZPGSFONLJQSMI-UHFFFAOYSA-N	-1	0	300.292	0.606	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC000772710603	668781840	/nfs/dbraw/zinc/78/18/40/668781840.db2.gz	PNEFLKWOVIXHIS-BQBZGAKWSA-N	-1	0	314.285	0.076	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-]	ZINC000774163661	668824661	/nfs/dbraw/zinc/82/46/61/668824661.db2.gz	UJABGYLWPBVCFE-UHFFFAOYSA-N	-1	0	300.292	0.849	20	30		DCEDRM
COC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000776115939	668870971	/nfs/dbraw/zinc/87/09/71/668870971.db2.gz	ANYQEYAXEKXTDK-GHMZBOCLSA-N	-1	0	316.379	0.716	20	30		DCEDRM
CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776117641	668871226	/nfs/dbraw/zinc/87/12/26/668871226.db2.gz	UVGSREMSCYOEPN-NSHDSACASA-N	-1	0	315.395	0.527	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCOC[C@@H]1CCCO1	ZINC000776122209	668871283	/nfs/dbraw/zinc/87/12/83/668871283.db2.gz	BHUSTHINUGTGLX-NSHDSACASA-N	-1	0	304.368	0.322	20	30		DCEDRM
CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776118846	668871296	/nfs/dbraw/zinc/87/12/96/668871296.db2.gz	WSBBKTRDWGOCBX-UHFFFAOYSA-N	-1	0	303.384	0.289	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)nc1	ZINC000776314666	668875141	/nfs/dbraw/zinc/87/51/41/668875141.db2.gz	NPVLQJCJUHEPLP-SNVBAGLBSA-N	-1	0	301.335	0.397	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc2c1COC2=O	ZINC000776681123	668880025	/nfs/dbraw/zinc/88/00/25/668880025.db2.gz	DYOLAALZIUCCDO-UHFFFAOYSA-N	-1	0	311.315	0.618	20	30		DCEDRM
CC(=NNC(=S)NCC(N)=O)c1cc(C(=O)[O-])c(C)nc1C	ZINC000776730885	668880533	/nfs/dbraw/zinc/88/05/33/668880533.db2.gz	ZUKFPCPQDPHCHR-UHFFFAOYSA-N	-1	0	323.378	0.070	20	30		DCEDRM
CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779320335	668909901	/nfs/dbraw/zinc/90/99/01/668909901.db2.gz	VXCNYRNKGOCCNS-WDEREUQCSA-N	-1	0	300.380	0.941	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]12CCOC2	ZINC000781593497	669051836	/nfs/dbraw/zinc/05/18/36/669051836.db2.gz	CHMGQCINXOYHNV-IINYFYTJSA-N	-1	0	324.333	0.929	20	30		DCEDRM
C=CC[C@@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)c1ccccc1	ZINC000781733541	669059219	/nfs/dbraw/zinc/05/92/19/669059219.db2.gz	ANXFPDSLJFUCNM-GFCCVEGCSA-N	-1	0	320.374	0.980	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)CO1	ZINC000784555413	669210729	/nfs/dbraw/zinc/21/07/29/669210729.db2.gz	MOYYKVOHCABKQN-BDAKNGLRSA-N	-1	0	312.322	0.927	20	30		DCEDRM
C[C@H](OCC(=O)[N-]S(=O)(=O)CCCC#N)c1nccn1C	ZINC000805908969	669530745	/nfs/dbraw/zinc/53/07/45/669530745.db2.gz	JZUXFSQYHMKCMN-JTQLQIEISA-N	-1	0	314.367	0.247	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccn(-c2ccccc2)n1	ZINC000791109540	669594307	/nfs/dbraw/zinc/59/43/07/669594307.db2.gz	RSSGYFHPOFFSGG-UHFFFAOYSA-N	-1	0	303.343	0.955	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCOCC(F)(F)C(F)F	ZINC000791853437	669634335	/nfs/dbraw/zinc/63/43/35/669634335.db2.gz	PDEZUAWVGATMKV-UHFFFAOYSA-N	-1	0	307.265	0.926	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(F)c(S(C)(=O)=O)c1	ZINC000793178366	669705658	/nfs/dbraw/zinc/70/56/58/669705658.db2.gz	NMUONSIVLGMVHD-UHFFFAOYSA-N	-1	0	321.351	0.475	20	30		DCEDRM
CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793204126	669707522	/nfs/dbraw/zinc/70/75/22/669707522.db2.gz	PFUSCTPTTZJIHE-UHFFFAOYSA-N	-1	0	315.395	0.289	20	30		DCEDRM
Cn1ncc2c1C[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)CC2	ZINC000793212782	669707970	/nfs/dbraw/zinc/70/79/70/669707970.db2.gz	VKZLBLXAXXJNMD-JTQLQIEISA-N	-1	0	322.390	0.275	20	30		DCEDRM
C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793212754	669708428	/nfs/dbraw/zinc/70/84/28/669708428.db2.gz	UPAUMFCLVWEBQW-WDEREUQCSA-N	-1	0	316.379	0.320	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccc(F)cc2)n1	ZINC000132788732	669746778	/nfs/dbraw/zinc/74/67/78/669746778.db2.gz	YHDBAFSAGKNZEK-UHFFFAOYSA-N	-1	0	310.310	0.652	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000158607107	669927306	/nfs/dbraw/zinc/92/73/06/669927306.db2.gz	BLWXRPYHAIYWIN-SECBINFHSA-N	-1	0	302.283	0.075	20	30		DCEDRM
N#CCOc1ccc(CC(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc1	ZINC000796889168	669947189	/nfs/dbraw/zinc/94/71/89/669947189.db2.gz	GMBIVMPERMAUEG-UHFFFAOYSA-N	-1	0	320.330	0.360	20	30		DCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)/C=C/c1ccccc1C#N	ZINC000797286535	669962612	/nfs/dbraw/zinc/96/26/12/669962612.db2.gz	XIKNNHVLHLUJLP-JARNTUPDSA-N	-1	0	322.342	0.579	20	30		DCEDRM
CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000798829134	670025732	/nfs/dbraw/zinc/02/57/32/670025732.db2.gz	AMAZUSBNKUYMSF-SECBINFHSA-N	-1	0	313.383	0.593	20	30		DCEDRM
COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000799616363	670067235	/nfs/dbraw/zinc/06/72/35/670067235.db2.gz	IYOCHCDOGNOAME-UHFFFAOYSA-N	-1	0	311.363	0.420	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC	ZINC000802162755	670154162	/nfs/dbraw/zinc/15/41/62/670154162.db2.gz	YFDQLHWBASZCBT-NXEZZACHSA-N	-1	0	307.368	0.223	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000802206650	670157858	/nfs/dbraw/zinc/15/78/58/670157858.db2.gz	IFOXTSYZQXFOHI-UHFFFAOYSA-N	-1	0	320.330	0.721	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCSc2n[nH]c(=O)[n-]2)nc1	ZINC000808032932	670386578	/nfs/dbraw/zinc/38/65/78/670386578.db2.gz	BYKJMBAXSMXYFP-UHFFFAOYSA-N	-1	0	311.348	0.343	20	30		DCEDRM
COc1ccc(CNC(=O)C(=O)[N-]OCCSC)cc1C#N	ZINC000809503851	670453545	/nfs/dbraw/zinc/45/35/45/670453545.db2.gz	LPRZKZYIJLTKSX-UHFFFAOYSA-N	-1	0	323.374	0.594	20	30		DCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810516479	670488215	/nfs/dbraw/zinc/48/82/15/670488215.db2.gz	OZQNBJVFSWDFOA-UHFFFAOYSA-N	-1	0	306.303	0.677	20	30		DCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c(C2CC2)n1	ZINC000810669451	670493193	/nfs/dbraw/zinc/49/31/93/670493193.db2.gz	UKFNSDNKICTLCJ-UHFFFAOYSA-N	-1	0	308.363	0.661	20	30		DCEDRM
CC(C)CO[N-]C(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC000810701654	670494682	/nfs/dbraw/zinc/49/46/82/670494682.db2.gz	QIOSBEPXWMYOPJ-UHFFFAOYSA-N	-1	0	311.363	0.540	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1	ZINC000810770770	670496679	/nfs/dbraw/zinc/49/66/79/670496679.db2.gz	AVJOXLLEIKIBEW-OAHLLOKOSA-N	-1	0	321.354	0.628	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)n1	ZINC000810775166	670496980	/nfs/dbraw/zinc/49/69/80/670496980.db2.gz	VWLWCGIYDIMCLA-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)CC)C1	ZINC000810774417	670497010	/nfs/dbraw/zinc/49/70/10/670497010.db2.gz	IOQNINUTCODEBY-NSHDSACASA-N	-1	0	300.380	0.104	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(Cl)n(C)nc1CC	ZINC000810785057	670498026	/nfs/dbraw/zinc/49/80/26/670498026.db2.gz	VVQYMOHTMRSIMY-UHFFFAOYSA-N	-1	0	303.771	0.719	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCNC(=O)C1CCCCC1	ZINC000810782933	670497725	/nfs/dbraw/zinc/49/77/25/670497725.db2.gz	XTEZNUHERUOFGU-UHFFFAOYSA-N	-1	0	314.407	0.542	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc2ccccc2c(=O)n1C	ZINC000810783058	670497753	/nfs/dbraw/zinc/49/77/53/670497753.db2.gz	CZDKXCZAKXUAFU-UHFFFAOYSA-N	-1	0	318.354	0.621	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](NC(N)=O)c1ccccc1	ZINC000810783184	670498104	/nfs/dbraw/zinc/49/81/04/670498104.db2.gz	IAEYNVSJQSNQDZ-GFCCVEGCSA-N	-1	0	323.374	0.255	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000811151650	670510870	/nfs/dbraw/zinc/51/08/70/670510870.db2.gz	WVUDVSCQQMGDGC-UHFFFAOYSA-N	-1	0	307.371	0.835	20	30		DCEDRM
COCC1(S(=O)(=O)[N-]C(=O)COc2cccc(C#N)c2)CC1	ZINC000811151884	670511038	/nfs/dbraw/zinc/51/10/38/670511038.db2.gz	GFYTUQMCYCRFPP-UHFFFAOYSA-N	-1	0	324.358	0.562	20	30		DCEDRM
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847685244	670591023	/nfs/dbraw/zinc/59/10/23/670591023.db2.gz	FJHRTGYGESOVAS-VHSXEESVSA-N	-1	0	304.368	0.714	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000812783390	670596047	/nfs/dbraw/zinc/59/60/47/670596047.db2.gz	MZVNGVMSKZNIBO-SECBINFHSA-N	-1	0	307.262	0.473	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847845498	670605240	/nfs/dbraw/zinc/60/52/40/670605240.db2.gz	SMWWNHOMIBBTCL-JTQLQIEISA-N	-1	0	301.368	0.347	20	30		DCEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1	ZINC000847997028	670618546	/nfs/dbraw/zinc/61/85/46/670618546.db2.gz	VHUJIDOEZCYBSS-UHFFFAOYSA-N	-1	0	317.367	0.939	20	30		DCEDRM
CCc1nc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)c(C)o1	ZINC000813980572	670667322	/nfs/dbraw/zinc/66/73/22/670667322.db2.gz	IHLZITDELNRMLM-UHFFFAOYSA-N	-1	0	320.330	0.931	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000813987390	670669074	/nfs/dbraw/zinc/66/90/74/670669074.db2.gz	SPURNAQBXYBPJT-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000813989315	670669858	/nfs/dbraw/zinc/66/98/58/670669858.db2.gz	AZXVLPNFUHFFAT-CYBMUJFWSA-N	-1	0	315.395	0.762	20	30		DCEDRM
O=C1[N-]C(=O)C(=NNCc2c(Cl)cccc2Cl)C(=O)N1	ZINC000814229468	670681859	/nfs/dbraw/zinc/68/18/59/670681859.db2.gz	ZMXKSDMTBBXOJT-UHFFFAOYSA-N	-1	0	315.116	0.805	20	30		DCEDRM
CCn1ncn(N=Cc2cccc(OCCC(=O)[O-])c2)c1=O	ZINC000814234502	670682810	/nfs/dbraw/zinc/68/28/10/670682810.db2.gz	NDFPVXGVHSKBFF-UHFFFAOYSA-N	-1	0	304.306	0.800	20	30		DCEDRM
Cc1nn(C)c(C=Nn2c(=O)[n-][nH]c2=O)c1Br	ZINC000814234126	670682934	/nfs/dbraw/zinc/68/29/34/670682934.db2.gz	RGGMSNSNSIRIJV-UHFFFAOYSA-N	-1	0	301.104	0.376	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000848580652	670697750	/nfs/dbraw/zinc/69/77/50/670697750.db2.gz	CPBJWROJDUUEBX-SNVBAGLBSA-N	-1	0	306.384	0.243	20	30		DCEDRM
C=CC[C@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000855438240	670711998	/nfs/dbraw/zinc/71/19/98/670711998.db2.gz	CSVAMFWXVIIBEG-NSHDSACASA-N	-1	0	301.350	0.886	20	30		DCEDRM
CO[C@@H]1CS(=O)(=O)C[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000849170831	670762761	/nfs/dbraw/zinc/76/27/61/670762761.db2.gz	VHAMICFIWYFNKO-QIRDIGKRSA-N	-1	0	314.319	0.531	20	30		DCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000815939813	670773670	/nfs/dbraw/zinc/77/36/70/670773670.db2.gz	ALWZAAPKUJNMGV-UHFFFAOYSA-N	-1	0	324.406	0.939	20	30		DCEDRM
C=CCCO[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C	ZINC000856034287	670777549	/nfs/dbraw/zinc/77/75/49/670777549.db2.gz	KMDXHNOTQYQRCI-UHFFFAOYSA-N	-1	0	301.343	0.251	20	30		DCEDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000816090538	670785282	/nfs/dbraw/zinc/78/52/82/670785282.db2.gz	ODPFDERBMTXIHL-UHFFFAOYSA-N	-1	0	302.352	0.325	20	30		DCEDRM
CO[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000816095366	670786462	/nfs/dbraw/zinc/78/64/62/670786462.db2.gz	ZMRLKXBVYIXZJO-NWDGAFQWSA-N	-1	0	323.374	0.963	20	30		DCEDRM
CCOCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N	ZINC000816129487	670789014	/nfs/dbraw/zinc/78/90/14/670789014.db2.gz	YZBLWXQKYGRPLK-UHFFFAOYSA-N	-1	0	313.291	0.308	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)CCCC#N)c(C(F)(F)F)n1	ZINC000816294549	670801444	/nfs/dbraw/zinc/80/14/44/670801444.db2.gz	CVBCSDJYSFLMEN-UHFFFAOYSA-N	-1	0	324.284	0.938	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC(=O)[N-]OCC2CCC2)cc1	ZINC000856343236	670805612	/nfs/dbraw/zinc/80/56/12/670805612.db2.gz	ACQJIMXABXWIEW-UHFFFAOYSA-N	-1	0	323.374	0.684	20	30		DCEDRM
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816733584	670851790	/nfs/dbraw/zinc/85/17/90/670851790.db2.gz	CVXDGLMCEKJZKL-NSHDSACASA-N	-1	0	317.305	0.735	20	30		DCEDRM
COC[C@@H](OC)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000850198838	670893960	/nfs/dbraw/zinc/89/39/60/670893960.db2.gz	NGVVLTZUTQPOEU-SNVBAGLBSA-N	-1	0	306.278	0.011	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCOC1	ZINC000850740307	670937241	/nfs/dbraw/zinc/93/72/41/670937241.db2.gz	VGIUQMCMLIXVLN-DGCLKSJQSA-N	-1	0	324.358	0.415	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C=CC(=O)OC)o1	ZINC000850758016	670938815	/nfs/dbraw/zinc/93/88/15/670938815.db2.gz	WPCGAZPXGPAAMA-MALLOTDXSA-N	-1	0	320.301	0.551	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)N2CCCC2)CCOCC1	ZINC000850788148	670940771	/nfs/dbraw/zinc/94/07/71/670940771.db2.gz	NURNFNZZZBEKFC-UHFFFAOYSA-N	-1	0	301.368	0.154	20	30		DCEDRM
COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@H](C)CC#N)cc1	ZINC000850794551	670940777	/nfs/dbraw/zinc/94/07/77/670940777.db2.gz	NQEQYPYJXZLNTE-SNVBAGLBSA-N	-1	0	324.358	0.969	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)ccc1C#N	ZINC000850914310	670954364	/nfs/dbraw/zinc/95/43/64/670954364.db2.gz	JTKHAAOEZLSLBJ-JTQLQIEISA-N	-1	0	324.358	0.663	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ncoc2-c2ccon2)CC1	ZINC000850940788	670956299	/nfs/dbraw/zinc/95/62/99/670956299.db2.gz	UGVQVLVMHBVKAR-UHFFFAOYSA-N	-1	0	322.302	0.693	20	30		DCEDRM
COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000850970230	670958634	/nfs/dbraw/zinc/95/86/34/670958634.db2.gz	ULPSFBIEQWCJFR-JTQLQIEISA-N	-1	0	316.310	0.164	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@@H]2CCOC2)CC1	ZINC000851032558	670963104	/nfs/dbraw/zinc/96/31/04/670963104.db2.gz	UIWCDRIHRBVQSQ-MNOVXSKESA-N	-1	0	303.380	0.593	20	30		DCEDRM
CO[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000851039826	670963541	/nfs/dbraw/zinc/96/35/41/670963541.db2.gz	CGBVHMDRYTYMST-MNOVXSKESA-N	-1	0	309.347	0.573	20	30		DCEDRM
CO[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000851039822	670963723	/nfs/dbraw/zinc/96/37/23/670963723.db2.gz	CGBVHMDRYTYMST-GHMZBOCLSA-N	-1	0	309.347	0.573	20	30		DCEDRM
COc1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1C#N	ZINC000851697311	671016724	/nfs/dbraw/zinc/01/67/24/671016724.db2.gz	LEJKRMMDVJYEKL-MLGOLLRUSA-N	-1	0	316.313	0.740	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nncn1-c1ccccc1	ZINC000819846903	671141954	/nfs/dbraw/zinc/14/19/54/671141954.db2.gz	ICACJRBECKPOOX-HNNXBMFYSA-N	-1	0	313.317	0.888	20	30		DCEDRM
CC1(C)C(=O)Nc2ccc(C(=O)N[C@@H]3CCN(O)C3=O)cc21	ZINC000820148079	671172137	/nfs/dbraw/zinc/17/21/37/671172137.db2.gz	CJZJBJZVUZCDDP-LLVKDONJSA-N	-1	0	303.318	0.636	20	30		DCEDRM
CCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@@H](C)C(=O)[O-]	ZINC000852954668	671199898	/nfs/dbraw/zinc/19/98/98/671199898.db2.gz	OLFIRRCLMPGEMO-XRNDOFNESA-N	-1	0	309.322	0.225	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(Cn2cncn2)c1	ZINC000860474105	671212048	/nfs/dbraw/zinc/21/20/48/671212048.db2.gz	WFEPXOINJKHCPS-CQSZACIVSA-N	-1	0	309.329	0.927	20	30		DCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000853206763	671218811	/nfs/dbraw/zinc/21/88/11/671218811.db2.gz	RHLVKEMEXBTRRW-LBPRGKRZSA-N	-1	0	305.396	0.862	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1COc2cc(F)ccc2C1	ZINC000860722531	671233339	/nfs/dbraw/zinc/23/33/39/671233339.db2.gz	YULPXEPNKRMEAZ-LLVKDONJSA-N	-1	0	311.334	0.846	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C\c2ccc(C#N)cc2)c(=O)n(C)c1=O	ZINC000821012592	671245988	/nfs/dbraw/zinc/24/59/88/671245988.db2.gz	KOAAFASDERJCJZ-FPLPWBNLSA-N	-1	0	311.297	0.557	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)/C=C/[C@@H]2CCCO2)c1	ZINC000821192239	671260692	/nfs/dbraw/zinc/26/06/92/671260692.db2.gz	IJTRRCZHWZGNPF-UFFNRZRYSA-N	-1	0	307.331	0.493	20	30		DCEDRM
N#CC1(C(=O)N2CCC(c3nnn[n-]3)CC2)CCSCC1	ZINC000828417098	671552676	/nfs/dbraw/zinc/55/26/76/671552676.db2.gz	SCQCLXGCRLUGDL-UHFFFAOYSA-N	-1	0	306.395	0.943	20	30		DCEDRM
C#CCC1(O)CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CC1	ZINC000829459913	671576682	/nfs/dbraw/zinc/57/66/82/671576682.db2.gz	MILJRPCIVJTFAP-UHFFFAOYSA-N	-1	0	319.405	0.752	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000831034007	671650907	/nfs/dbraw/zinc/65/09/07/671650907.db2.gz	UDGVTRBCAMNIPD-UHFFFAOYSA-N	-1	0	318.395	0.484	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000831033887	671651075	/nfs/dbraw/zinc/65/10/75/671651075.db2.gz	MLFHXLJROLLQPF-QWRGUYRKSA-N	-1	0	318.395	0.339	20	30		DCEDRM
C#CCN(CC(=O)[N-]OC[C@H]1CCOC1)C(=O)OC(C)(C)C	ZINC000834294875	671752731	/nfs/dbraw/zinc/75/27/31/671752731.db2.gz	YMHFYZDDLZAZIN-LBPRGKRZSA-N	-1	0	312.366	0.941	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21	ZINC000835123965	671788307	/nfs/dbraw/zinc/78/83/07/671788307.db2.gz	MSZUKYLZJHJCPK-LBPRGKRZSA-N	-1	0	322.386	0.839	20	30		DCEDRM
CO[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000835295297	671792845	/nfs/dbraw/zinc/79/28/45/671792845.db2.gz	RQKIDDHLPCLQEC-CYBMUJFWSA-N	-1	0	322.386	0.994	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000835307599	671793252	/nfs/dbraw/zinc/79/32/52/671793252.db2.gz	MWADCOQYSKAEEN-JTQLQIEISA-N	-1	0	322.342	0.410	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)N1CCc2ccccc2C1	ZINC000835410839	671795614	/nfs/dbraw/zinc/79/56/14/671795614.db2.gz	KBUTWWYENCSWKY-LBPRGKRZSA-N	-1	0	321.402	0.793	20	30		DCEDRM
COc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835411276	671795793	/nfs/dbraw/zinc/79/57/93/671795793.db2.gz	HSRPEYFVUUJJMZ-UHFFFAOYSA-N	-1	0	313.291	0.577	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cncc(OC(C)C)c1	ZINC000835854194	671807975	/nfs/dbraw/zinc/80/79/75/671807975.db2.gz	RWYZEXXZQNAIPN-UHFFFAOYSA-N	-1	0	314.363	0.876	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1	ZINC000837045145	671843162	/nfs/dbraw/zinc/84/31/62/671843162.db2.gz	XQEVOYUVCGZCTL-JTQLQIEISA-N	-1	0	314.363	0.596	20	30		DCEDRM
C=CCO[N-]C(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O	ZINC000837047317	671844270	/nfs/dbraw/zinc/84/42/70/671844270.db2.gz	GJQCFMYAACGICB-GHMZBOCLSA-N	-1	0	309.366	0.967	20	30		DCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000842313177	672005187	/nfs/dbraw/zinc/00/51/87/672005187.db2.gz	MOMBWZBWQFUSQN-QWHCGFSZSA-N	-1	0	307.375	0.974	20	30		DCEDRM
C[C@H](CO)N(C)N=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000842541483	672017221	/nfs/dbraw/zinc/01/72/21/672017221.db2.gz	SHZRQHXRHOSHTI-SECBINFHSA-N	-1	0	311.294	0.705	20	30		DCEDRM
C=CCn1cc(C([O-])=C(C#N)C(=O)NCCCOCC)nn1	ZINC000842681830	672028237	/nfs/dbraw/zinc/02/82/37/672028237.db2.gz	UBLCZQONLCARIG-NSHDSACASA-N	-1	0	305.338	0.329	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)c2cn(CC)c(C)n2)nn1	ZINC000842749216	672033645	/nfs/dbraw/zinc/03/36/45/672033645.db2.gz	KZUVJCNITCDELE-UHFFFAOYSA-N	-1	0	324.366	0.108	20	30		DCEDRM
COC(=O)C12CC(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)(C1)C2	ZINC000842754356	672034209	/nfs/dbraw/zinc/03/42/09/672034209.db2.gz	OABDNOYTXCFBKK-UHFFFAOYSA-N	-1	0	312.347	0.079	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C)oc2C)nn1	ZINC000842752721	672034253	/nfs/dbraw/zinc/03/42/53/672034253.db2.gz	SDFLPKLOTMYPAB-UHFFFAOYSA-N	-1	0	310.335	0.793	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)nn1	ZINC000842809787	672039600	/nfs/dbraw/zinc/03/96/00/672039600.db2.gz	ALBXYSOMJJCPPZ-JFGNBEQYSA-N	-1	0	310.379	0.712	20	30		DCEDRM
CCCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000844086717	672146860	/nfs/dbraw/zinc/14/68/60/672146860.db2.gz	ZIIXYQJTVKJWDR-SNVBAGLBSA-N	-1	0	311.363	0.683	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc2c1OCCCO2	ZINC000845545763	672259513	/nfs/dbraw/zinc/25/95/13/672259513.db2.gz	RKLSTZJFBSAHPK-UHFFFAOYSA-N	-1	0	309.343	0.931	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1[O-])C(=O)OC	ZINC000867388551	672263433	/nfs/dbraw/zinc/26/34/33/672263433.db2.gz	PTHWQSPROQYHEY-SECBINFHSA-N	-1	0	317.750	0.889	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C(=O)NC)ccc1C	ZINC000846151564	672297358	/nfs/dbraw/zinc/29/73/58/672297358.db2.gz	AXEURVUWWPYAMD-JTQLQIEISA-N	-1	0	305.334	0.915	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(CC(=O)OC)c1	ZINC000846154833	672297913	/nfs/dbraw/zinc/29/79/13/672297913.db2.gz	QBCOQXUBNMZOAQ-SNVBAGLBSA-N	-1	0	306.318	0.963	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C	ZINC000846155573	672297957	/nfs/dbraw/zinc/29/79/57/672297957.db2.gz	HLNKRMGZKAVWOJ-SECBINFHSA-N	-1	0	319.317	0.603	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1	ZINC000846532893	672326000	/nfs/dbraw/zinc/32/60/00/672326000.db2.gz	YJBDMKAQYKGZHE-ZDUSSCGKSA-N	-1	0	310.325	0.469	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc(C(N)=O)c2)CC1	ZINC000793197834	685343649	/nfs/dbraw/zinc/34/36/49/685343649.db2.gz	SUYBTIYZYORXAH-UHFFFAOYSA-N	-1	0	307.331	0.149	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1	ZINC000793195353	685343928	/nfs/dbraw/zinc/34/39/28/685343928.db2.gz	JZAHACHXSQHSHP-SECBINFHSA-N	-1	0	308.363	0.264	20	30		DCEDRM
CC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCOCC1	ZINC000771081438	685336809	/nfs/dbraw/zinc/33/68/09/685336809.db2.gz	XWZWLMYDXNYACI-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
N#Cc1ccc(OC[C@H](O)CN2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000833071265	685359905	/nfs/dbraw/zinc/35/99/05/685359905.db2.gz	HOGLVQRMMYENLD-UKRRQHHQSA-N	-1	0	320.345	0.473	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)cc1OC	ZINC000092480037	685108733	/nfs/dbraw/zinc/10/87/33/685108733.db2.gz	VVMRTSDNEDMJIH-UHFFFAOYSA-N	-1	0	313.331	0.412	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@H](NC(C)=O)c1cccs1)C(=O)[O-]	ZINC000149884557	685131737	/nfs/dbraw/zinc/13/17/37/685131737.db2.gz	CMPMPIJLAIYULM-QWRGUYRKSA-N	-1	0	308.359	0.908	20	30		DCEDRM
C=C(Cl)CN1CC[C@H]1CNC(=O)c1c[n-]n2c1nccc2=O	ZINC001038779162	694188871	/nfs/dbraw/zinc/18/88/71/694188871.db2.gz	RWZPXFAWHFHXRC-JTQLQIEISA-N	-1	0	321.768	0.579	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)c1[O-]	ZINC001008048834	690792116	/nfs/dbraw/zinc/79/21/16/690792116.db2.gz	PUWUJIQIMMBZMN-PSASIEDQSA-N	-1	0	319.365	0.550	20	30		DCEDRM
N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(C(N)=O)nc1	ZINC000129848285	1158149399	/nfs/dbraw/zinc/14/93/99/1158149399.db2.gz	NYIHLHQVHNZTDB-CYBMUJFWSA-N	-1	0	322.324	0.819	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001571767122	1162929587	/nfs/dbraw/zinc/92/95/87/1162929587.db2.gz	USKBMQVBPMIPBV-VHSXEESVSA-N	-1	0	322.365	0.087	20	30		DCEDRM
C=CCOc1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1	ZINC001157326716	1159080665	/nfs/dbraw/zinc/08/06/65/1159080665.db2.gz	HOKMSFNTQXBNBF-UHFFFAOYSA-N	-1	0	304.306	0.571	20	30		DCEDRM
C=CCOCC(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001566918002	1160184170	/nfs/dbraw/zinc/18/41/70/1160184170.db2.gz	INNRNFOJISICPL-NSHDSACASA-N	-1	0	309.370	0.184	20	30		DCEDRM
C[C@H](NC(=O)COc1ccccc1C#N)c1nc(C(=O)[O-])n[nH]1	ZINC001573561067	1163499741	/nfs/dbraw/zinc/49/97/41/1163499741.db2.gz	BRICOPGHNJKRLW-QMMMGPOBSA-N	-1	0	315.289	0.631	20	30		DCEDRM
CC[C@H](C(=O)[O-])N(C1CC1)S(=O)(=O)c1ccc(C#N)cn1	ZINC001573666121	1163526236	/nfs/dbraw/zinc/52/62/36/1163526236.db2.gz	NUHPVRKDPVEVEB-LLVKDONJSA-N	-1	0	309.347	0.970	20	30		DCEDRM
CCn1cc(C(=O)[O-])c(NC(=O)N2CC[C@@](O)(CC#N)C2)n1	ZINC001573846488	1163566712	/nfs/dbraw/zinc/56/67/12/1163566712.db2.gz	FCRUEUGDTYQMGJ-ZDUSSCGKSA-N	-1	0	307.310	0.484	20	30		DCEDRM
Cc1nc(C(=O)N[C@@H](C)c2nc(C(=O)[O-])n[nH]2)ccc1C#N	ZINC001574182859	1163654997	/nfs/dbraw/zinc/65/49/97/1163654997.db2.gz	SDXFBRYAKQBPBU-ZETCQYMHSA-N	-1	0	300.278	0.569	20	30		DCEDRM
N#Cc1cc(N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)nc(C2CC2)n1	ZINC001574245223	1163672650	/nfs/dbraw/zinc/67/26/50/1163672650.db2.gz	ISMYQDDNAMDFEI-MWLCHTKSSA-N	-1	0	303.322	0.608	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)cc1	ZINC001574249985	1163675046	/nfs/dbraw/zinc/67/50/46/1163675046.db2.gz	PWITYJUYWTWUOI-WCQYABFASA-N	-1	0	318.333	0.057	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](N(C)C(=O)C#CC3CC3)C2)c1[O-]	ZINC001576279087	1164289851	/nfs/dbraw/zinc/28/98/51/1164289851.db2.gz	FAXWHBUZJFTROK-LBPRGKRZSA-N	-1	0	316.361	0.510	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001576990740	1164573893	/nfs/dbraw/zinc/57/38/93/1164573893.db2.gz	KTZYMYRBGCYIJQ-HNNXBMFYSA-N	-1	0	324.381	0.329	20	30		DCEDRM
CC[C@H](Nc1cnc(-c2nn[nH]n2)c(C#N)n1)c1noc(C)n1	ZINC001576998313	1164578196	/nfs/dbraw/zinc/57/81/96/1164578196.db2.gz	BTMVUWRRFUNQNW-ZETCQYMHSA-N	-1	0	312.297	0.783	20	30		DCEDRM
CCOC(=O)C[C@H](C)Sc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001578245074	1164963391	/nfs/dbraw/zinc/96/33/91/1164963391.db2.gz	BEEYYDLXQSANSB-ZETCQYMHSA-N	-1	0	319.350	0.962	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCC1(CC#N)CC1	ZINC001580602969	1165652646	/nfs/dbraw/zinc/65/26/46/1165652646.db2.gz	KBGHHNYDQVWZFZ-UHFFFAOYSA-N	-1	0	313.321	0.699	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CCNC(=O)OC(C)(C)C	ZINC001581410537	1165823251	/nfs/dbraw/zinc/82/32/51/1165823251.db2.gz	MTXIQTSQWLYKTQ-UHFFFAOYSA-N	-1	0	318.341	0.768	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)Nc2ccnc(-c3nn[nH]n3)c2)C1	ZINC001581857511	1165889236	/nfs/dbraw/zinc/88/92/36/1165889236.db2.gz	BKHHHJWDTXONPH-CYBMUJFWSA-N	-1	0	314.309	0.144	20	30		DCEDRM
N#C[C@]1(C(=O)NCc2ccnc(-c3nn[nH]n3)c2)CCCOC1	ZINC001581856878	1165889890	/nfs/dbraw/zinc/88/98/90/1165889890.db2.gz	HUKJBRNSLMLSFN-CQSZACIVSA-N	-1	0	313.321	0.198	20	30		DCEDRM
N#Cc1cc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)ccc1F	ZINC001581866619	1165894592	/nfs/dbraw/zinc/89/45/92/1165894592.db2.gz	MGJHFDCQDKLPSR-UHFFFAOYSA-N	-1	0	313.252	0.188	20	30		DCEDRM
N#Cc1ncc(N[C@H](c2ncccn2)C2CC2)nc1-c1nnn[n-]1	ZINC001581883332	1165901871	/nfs/dbraw/zinc/90/18/71/1165901871.db2.gz	WNTQISHIUDVFDB-NSHDSACASA-N	-1	0	320.320	0.882	20	30		DCEDRM
N#Cc1ncc(NC[C@H]2CSCCS2)nc1-c1nnn[n-]1	ZINC001581884034	1165904619	/nfs/dbraw/zinc/90/46/19/1165904619.db2.gz	HWNHZEFNLBENJR-ZETCQYMHSA-N	-1	0	320.407	0.789	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N[C@@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001582425215	1166017755	/nfs/dbraw/zinc/01/77/55/1166017755.db2.gz	QVYCQQAEQNIJRU-MNOVXSKESA-N	-1	0	324.381	0.639	20	30		DCEDRM
C=CCO[C@H](C)C(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001583219754	1166226625	/nfs/dbraw/zinc/22/66/25/1166226625.db2.gz	NXDURLOIERVMDB-MVIFTORASA-N	-1	0	322.365	0.417	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1	ZINC001588335275	1166532331	/nfs/dbraw/zinc/53/23/31/1166532331.db2.gz	GMGWIZZBTSNDHJ-MNOVXSKESA-N	-1	0	314.353	0.281	20	30		DCEDRM
C#CCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C	ZINC001588355258	1166547434	/nfs/dbraw/zinc/54/74/34/1166547434.db2.gz	FCYAHAVIVPQMAH-UHFFFAOYSA-N	-1	0	301.306	0.693	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NCCNc1ccnc(-c2nnn[n-]2)n1	ZINC001588523325	1166561150	/nfs/dbraw/zinc/56/11/50/1166561150.db2.gz	JEAGUCDBTYJNTK-JTQLQIEISA-N	-1	0	316.369	0.209	20	30		DCEDRM
C=CC[C@@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1	ZINC001588558873	1166562463	/nfs/dbraw/zinc/56/24/63/1166562463.db2.gz	FGABELYRVWCDQK-SNVBAGLBSA-N	-1	0	302.342	0.273	20	30		DCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001588580005	1166564261	/nfs/dbraw/zinc/56/42/61/1166564261.db2.gz	XCVRIZIJDMLSTD-QMMMGPOBSA-N	-1	0	313.339	0.065	20	30		DCEDRM
C=C[C@H](CO)NC(=O)NCc1ccc(-c2nn[nH]n2)c(Cl)c1	ZINC001588727866	1166580891	/nfs/dbraw/zinc/58/08/91/1166580891.db2.gz	KJAIHMWKEGCZFL-SECBINFHSA-N	-1	0	322.756	0.866	20	30		DCEDRM
C[C@H](C(=O)NCC(C)(C)CCC#N)n1cnc(-c2nnn[n-]2)n1	ZINC001588980324	1166623571	/nfs/dbraw/zinc/62/35/71/1166623571.db2.gz	XSCBARLDCNGCAO-SECBINFHSA-N	-1	0	317.357	0.465	20	30		DCEDRM
CC(C)(C)OCCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001589194185	1166640353	/nfs/dbraw/zinc/64/03/53/1166640353.db2.gz	ZJCZEOBMDJIDGO-UHFFFAOYSA-N	-1	0	318.341	0.995	20	30		DCEDRM
CC(C)O[C@H]1CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001589740042	1166681947	/nfs/dbraw/zinc/68/19/47/1166681947.db2.gz	VBHDWZYECWAOOJ-JTQLQIEISA-N	-1	0	314.353	0.922	20	30		DCEDRM
C[C@@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)n1cccn1	ZINC001589795776	1166688384	/nfs/dbraw/zinc/68/83/84/1166688384.db2.gz	ZTOOXDKPDCNZSK-ZETCQYMHSA-N	-1	0	312.297	0.248	20	30		DCEDRM
C[C@H](CC#N)N(C)Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2	ZINC001589786765	1166689391	/nfs/dbraw/zinc/68/93/91/1166689391.db2.gz	CCUFVAGKRBMXAZ-SNVBAGLBSA-N	-1	0	313.365	0.709	20	30		DCEDRM
C[C@H](C[C@@H]1CCOC1)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589803599	1166690433	/nfs/dbraw/zinc/69/04/33/1166690433.db2.gz	TXJOFWCAWXHJLC-BDAKNGLRSA-N	-1	0	300.326	0.755	20	30		DCEDRM
CC1(C)CCC[C@H](Cn2c(N)nc(-c3nnn[n-]3)c2C#N)O1	ZINC001590093572	1166770993	/nfs/dbraw/zinc/77/09/93/1166770993.db2.gz	KDFVRZXLCCTQRX-MRVPVSSYSA-N	-1	0	302.342	0.865	20	30		DCEDRM
COC(=O)C(C)(C)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001591226435	1167165655	/nfs/dbraw/zinc/16/56/55/1167165655.db2.gz	BWNFMUHQSOHVST-UHFFFAOYSA-N	-1	0	302.298	0.139	20	30		DCEDRM
COC(=O)[C@@H]1CCCC[C@H]1Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC001591254479	1167179862	/nfs/dbraw/zinc/17/98/62/1167179862.db2.gz	IWNIJXUDYBGNKW-VHSXEESVSA-N	-1	0	315.337	0.914	20	30		DCEDRM
COc1ncccc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001591668673	1167345603	/nfs/dbraw/zinc/34/56/03/1167345603.db2.gz	DYUHAWDICQWMMF-UHFFFAOYSA-N	-1	0	311.265	0.117	20	30		DCEDRM
Cc1cccc(C(=O)C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC001592216058	1167475856	/nfs/dbraw/zinc/47/58/56/1167475856.db2.gz	CROJOBRJEIIFEI-UHFFFAOYSA-N	-1	0	322.288	0.591	20	30		DCEDRM
Cc1ccn(CN(C)CC(C)(C)C#N)c(=O)c1-c1nnn[n-]1	ZINC001592266821	1167480652	/nfs/dbraw/zinc/48/06/52/1167480652.db2.gz	YECDQZWEDZAPPA-UHFFFAOYSA-N	-1	0	301.354	0.776	20	30		DCEDRM
Cc1ccn(CN(CCC#N)C(C)C)c(=O)c1-c1nnn[n-]1	ZINC001592266496	1167480868	/nfs/dbraw/zinc/48/08/68/1167480868.db2.gz	DHFQIAGIWRNADV-UHFFFAOYSA-N	-1	0	301.354	0.918	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CCOC[C@@H]1CCCO1	ZINC001592335156	1167491889	/nfs/dbraw/zinc/49/18/89/1167491889.db2.gz	MTMPOVLMNZQPLT-JTQLQIEISA-N	-1	0	303.326	0.439	20	30		DCEDRM
N#Cc1ncc(NCC#C[C@H]2CCCCO2)nc1-c1nnn[n-]1	ZINC001592710824	1167608752	/nfs/dbraw/zinc/60/87/52/1167608752.db2.gz	YUHLZYPDTCMGEG-SNVBAGLBSA-N	-1	0	310.321	0.513	20	30		DCEDRM
Cc1c(C(=O)[O-])cc(CNC(=O)[C@H](C)n2cnc(C#N)n2)n1C	ZINC001599989064	1168076603	/nfs/dbraw/zinc/07/66/03/1168076603.db2.gz	MKSFAVCVDWIOGN-VIFPVBQESA-N	-1	0	316.321	0.372	20	30		DCEDRM
Cc1cc(C(=O)N(CC#N)CC(=O)[O-])c(C)n1-c1ccn(C)n1	ZINC001600077862	1168112664	/nfs/dbraw/zinc/11/26/64/1168112664.db2.gz	AYWRUJFLRLXINN-UHFFFAOYSA-N	-1	0	315.333	0.878	20	30		DCEDRM
Cc1ccn(CN2CCSC[C@H](C(=O)[O-])C2)c(=O)c1C#N	ZINC001600598897	1168208030	/nfs/dbraw/zinc/20/80/30/1168208030.db2.gz	RYWIYTHJTWGZNE-LLVKDONJSA-N	-1	0	307.375	0.736	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001600899152	1168500130	/nfs/dbraw/zinc/50/01/30/1168500130.db2.gz	UACXMYYQNRLEPF-ZUZCIYMTSA-N	-1	0	303.318	0.460	20	30		DCEDRM
Cn1ncc(CCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n1	ZINC001601026882	1168570546	/nfs/dbraw/zinc/57/05/46/1168570546.db2.gz	ASZBWJHPDKAPLB-CQSZACIVSA-N	-1	0	314.301	0.988	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	ZINC001601051352	1168577533	/nfs/dbraw/zinc/57/75/33/1168577533.db2.gz	LTFFJQWQFNGFNY-UHFFFAOYSA-N	-1	0	304.302	0.857	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001601051511	1168577537	/nfs/dbraw/zinc/57/75/37/1168577537.db2.gz	QMZRTWJPNAVMDJ-UHFFFAOYSA-N	-1	0	307.266	0.008	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(Cc2ccc(S(N)(=O)=O)cc2)CC1	ZINC001601051889	1168577555	/nfs/dbraw/zinc/57/75/55/1168577555.db2.gz	GOJQONBXBJMMJL-UHFFFAOYSA-N	-1	0	323.374	0.524	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1	ZINC001601048523	1168577719	/nfs/dbraw/zinc/57/77/19/1168577719.db2.gz	GZZVJRWCCSPXCK-JTQLQIEISA-N	-1	0	314.363	0.028	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)COc2ccc(O)cc2)CC1	ZINC001601051165	1168577744	/nfs/dbraw/zinc/57/77/44/1168577744.db2.gz	DQWYTDQNIAXENN-UHFFFAOYSA-N	-1	0	304.302	0.988	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2COC[C@H]2C2CC2)CC1	ZINC001601051806	1168577915	/nfs/dbraw/zinc/57/79/15/1168577915.db2.gz	VNNJNWFNFLUXRN-RYUDHWBXSA-N	-1	0	307.350	0.811	20	30		DCEDRM
N#CC1(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CCCCC1	ZINC001601056590	1168578433	/nfs/dbraw/zinc/57/84/33/1168578433.db2.gz	QBSKESLHGLIXQE-VXGBXAGGSA-N	-1	0	309.366	0.937	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)Nc2nc3n(c2C(=O)[O-])CCC3)C1	ZINC001601056850	1168578562	/nfs/dbraw/zinc/57/85/62/1168578562.db2.gz	BVZCGESAOMAFEC-CYBMUJFWSA-N	-1	0	307.285	0.997	20	30		DCEDRM
N#CCC1CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)CC1	ZINC001601064444	1168579925	/nfs/dbraw/zinc/57/99/25/1168579925.db2.gz	XQUDYPPQWNDLCK-UHFFFAOYSA-N	-1	0	306.326	0.312	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCN1CSCCSC1	ZINC001601069450	1168580329	/nfs/dbraw/zinc/58/03/29/1168580329.db2.gz	LVLRYRMXPYCJBX-UHFFFAOYSA-N	-1	0	303.409	0.510	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)C1(n2cnnn2)CCCCC1	ZINC001601071319	1168580882	/nfs/dbraw/zinc/58/08/82/1168580882.db2.gz	ZHBOQWMPNOFBNL-UHFFFAOYSA-N	-1	0	306.326	0.159	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc(C(=O)N2CCCC2)n1	ZINC001601071465	1168580893	/nfs/dbraw/zinc/58/08/93/1168580893.db2.gz	MGAAYZCHNBWXNX-UHFFFAOYSA-N	-1	0	316.317	0.368	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cn(CCc2ccccc2)nn1	ZINC001601071423	1168581014	/nfs/dbraw/zinc/58/10/14/1168581014.db2.gz	HULRACYPAXJSKO-UHFFFAOYSA-N	-1	0	313.317	0.571	20	30		DCEDRM
N#CCN1CCC(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001601073409	1168581879	/nfs/dbraw/zinc/58/18/79/1168581879.db2.gz	SOLVSVHLALGBMW-TXEJJXNPSA-N	-1	0	315.395	0.005	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@]1(C2CCCC2)CCNC1=O	ZINC001601072816	1168581901	/nfs/dbraw/zinc/58/19/01/1168581901.db2.gz	ZVGBHPHVEZVBMH-OAHLLOKOSA-N	-1	0	307.350	0.510	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC001601078071	1168583087	/nfs/dbraw/zinc/58/30/87/1168583087.db2.gz	GXSFPFWSRRXAIF-ZDUSSCGKSA-N	-1	0	312.322	0.940	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CC(=O)NCC(F)(F)F)c1=O	ZINC001601086328	1168583722	/nfs/dbraw/zinc/58/37/22/1168583722.db2.gz	KIEKPTUMRMMLGN-UHFFFAOYSA-N	-1	0	303.196	0.097	20	30		DCEDRM
N#Cc1cc(N2CCC[C@H]2C(=O)NCC(=O)[O-])c([N+](=O)[O-])s1	ZINC001601090367	1168584013	/nfs/dbraw/zinc/58/40/13/1168584013.db2.gz	WXUVODBDPACBTE-QMMMGPOBSA-N	-1	0	324.318	0.698	20	30		DCEDRM
N#Cc1ccc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])[nH]1	ZINC001601091727	1168584076	/nfs/dbraw/zinc/58/40/76/1168584076.db2.gz	AUUYWSJYIUOTAI-COUIAZAYSA-N	-1	0	316.317	0.009	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])ccc1Cl	ZINC001601090927	1168584121	/nfs/dbraw/zinc/58/41/21/1168584121.db2.gz	ANWCNDHNDNNQIW-MRVPVSSYSA-N	-1	0	318.738	0.326	20	30		DCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CCSC[C@H](C(=O)[O-])C2)cc1	ZINC001601095488	1168584462	/nfs/dbraw/zinc/58/44/62/1168584462.db2.gz	SHHBFCDKLAFXNQ-OLZOCXBDSA-N	-1	0	319.386	0.834	20	30		DCEDRM
N#Cc1ccc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])s1	ZINC001601100245	1168585521	/nfs/dbraw/zinc/58/55/21/1168585521.db2.gz	KZGPSVXIKZPMTI-SECBINFHSA-N	-1	0	314.388	0.693	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1	ZINC001601103810	1168585577	/nfs/dbraw/zinc/58/55/77/1168585577.db2.gz	PCAZBRFESUJVRI-GFCCVEGCSA-N	-1	0	319.292	0.503	20	30		DCEDRM
N#Cc1ccc(Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)nc1	ZINC001601103606	1168585762	/nfs/dbraw/zinc/58/57/62/1168585762.db2.gz	JRZNVIZREDPYMM-UHFFFAOYSA-N	-1	0	300.230	0.770	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])nc1	ZINC001601108559	1168586145	/nfs/dbraw/zinc/58/61/45/1168586145.db2.gz	QVGXQCIJNRKNPZ-SECBINFHSA-N	-1	0	310.260	0.686	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)CCc2nnc[nH]2)C(=O)[O-])c1	ZINC001601118187	1168587100	/nfs/dbraw/zinc/58/71/00/1168587100.db2.gz	UIJLKUPQTZGXSK-ZDUSSCGKSA-N	-1	0	300.274	0.978	20	30		DCEDRM
N#Cc1cccc(COC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c1	ZINC001601123171	1168588454	/nfs/dbraw/zinc/58/84/54/1168588454.db2.gz	MNSRCPPVFDRKLV-ZDUSSCGKSA-N	-1	0	316.313	0.925	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1	ZINC001601122240	1168588552	/nfs/dbraw/zinc/58/85/52/1168588552.db2.gz	IKLJFONIZRZJSD-GFCCVEGCSA-N	-1	0	317.301	0.199	20	30		DCEDRM
N#Cc1cccnc1N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001601128895	1168590089	/nfs/dbraw/zinc/59/00/89/1168590089.db2.gz	ZVDXUXCCWOHTRP-OAHLLOKOSA-N	-1	0	302.334	0.319	20	30		DCEDRM
N#Cc1cnc(Cl)c(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])c1	ZINC001601130405	1168591037	/nfs/dbraw/zinc/59/10/37/1168591037.db2.gz	OLDHLXMZFWWRIV-LLVKDONJSA-N	-1	0	322.752	0.772	20	30		DCEDRM
N#Cc1cncnc1NC[C@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC001601131542	1168591323	/nfs/dbraw/zinc/59/13/23/1168591323.db2.gz	DUZMSSVFEOVTOD-LBPRGKRZSA-N	-1	0	302.265	0.853	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CN1CCC(O)(C(=O)[O-])CC1	ZINC001601129537	1168591683	/nfs/dbraw/zinc/59/16/83/1168591683.db2.gz	ITIPQEZUJCOIAX-UHFFFAOYSA-N	-1	0	309.347	0.470	20	30		DCEDRM
O=C(C#CC1CC1)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001601224652	1168666231	/nfs/dbraw/zinc/66/62/31/1168666231.db2.gz	YSVFGISQSDSFQX-QNWHQSFQSA-N	-1	0	304.346	0.132	20	30		DCEDRM
O=C(C#CC1CC1)NCCCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CC1	ZINC001601223561	1168667000	/nfs/dbraw/zinc/66/70/00/1168667000.db2.gz	JONLDFOXONGNSV-UONOGXRCSA-N	-1	0	318.373	0.618	20	30		DCEDRM
O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(C#CCO)c1	ZINC001601565416	1168782151	/nfs/dbraw/zinc/78/21/51/1168782151.db2.gz	YGERTXFVOKIKSC-AWEZNQCLSA-N	-1	0	313.313	0.179	20	30		DCEDRM
O=C([O-])c1cccc(C(=O)NCc2ccc(C(=O)NO)cc2)n1	ZINC001601563803	1168782871	/nfs/dbraw/zinc/78/28/71/1168782871.db2.gz	RFZHUECTABXUQA-UHFFFAOYSA-N	-1	0	315.285	0.829	20	30		DCEDRM
O=C([O-])CN(CCN1CCOCC1)C(=O)C#Cc1cccs1	ZINC001602054872	1168977515	/nfs/dbraw/zinc/97/75/15/1168977515.db2.gz	JPBJQVWEIOKHLK-UHFFFAOYSA-N	-1	0	322.386	0.345	20	30		DCEDRM
C#CC[C@H](OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C	ZINC001602696579	1169161835	/nfs/dbraw/zinc/16/18/35/1169161835.db2.gz	CIPMUOUQACBWEY-UWVGGRQHSA-N	-1	0	303.326	0.610	20	30		DCEDRM
C#CC[C@@H](OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C	ZINC001602696583	1169162026	/nfs/dbraw/zinc/16/20/26/1169162026.db2.gz	CIPMUOUQACBWEY-VHSXEESVSA-N	-1	0	303.326	0.610	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cn(C)nc1-c1cnn(C)c1)C(=O)[O-]	ZINC001602693550	1169162748	/nfs/dbraw/zinc/16/27/48/1169162748.db2.gz	XOVVXPITMGOFAD-NSHDSACASA-N	-1	0	301.306	0.027	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001602701576	1169166430	/nfs/dbraw/zinc/16/64/30/1169166430.db2.gz	OJNVOHACOAGEOB-JTQLQIEISA-N	-1	0	312.347	0.141	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl	ZINC001602702346	1169166640	/nfs/dbraw/zinc/16/66/40/1169166640.db2.gz	FZSKFOXOQZSWMZ-VIFPVBQESA-N	-1	0	320.740	0.419	20	30		DCEDRM
C#CCCCNC(=O)C(=O)NCc1cccc(-c2nn[nH]n2)c1	ZINC001602711025	1169166784	/nfs/dbraw/zinc/16/67/84/1169166784.db2.gz	AMXDCDKQXBWZAI-UHFFFAOYSA-N	-1	0	312.333	0.013	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC001602715908	1169167407	/nfs/dbraw/zinc/16/74/07/1169167407.db2.gz	XAZCXBFMFJCLBW-ZDUSSCGKSA-N	-1	0	304.346	0.089	20	30		DCEDRM
C#CCNC(=O)CN[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1	ZINC001602724972	1169172295	/nfs/dbraw/zinc/17/22/95/1169172295.db2.gz	MHFMONSZHKLOPJ-CYBMUJFWSA-N	-1	0	310.737	0.813	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)cn1	ZINC001602739572	1169175892	/nfs/dbraw/zinc/17/58/92/1169175892.db2.gz	JOVWCWDCBBDLBC-NEPJUHHUSA-N	-1	0	302.286	0.009	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1	ZINC001602742109	1169176328	/nfs/dbraw/zinc/17/63/28/1169176328.db2.gz	DTTCXTCDLOEDCU-OLZOCXBDSA-N	-1	0	316.313	0.043	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cnc(OC)s1)C(=O)[O-]	ZINC001602757915	1169179366	/nfs/dbraw/zinc/17/93/66/1169179366.db2.gz	WSRFOEMHXFFKQC-SSDOTTSWSA-N	-1	0	306.365	0.849	20	30		DCEDRM
C=C1CN(C(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)C1	ZINC001602776940	1169182930	/nfs/dbraw/zinc/18/29/30/1169182930.db2.gz	MPMYKJOPEIQDOR-UHFFFAOYSA-N	-1	0	304.335	0.701	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@@](F)(C(=O)[O-])C2)n1CCOC	ZINC001602821307	1169187722	/nfs/dbraw/zinc/18/77/22/1169187722.db2.gz	ZIBQKVZPDYFHLA-RNCFNFMXSA-N	-1	0	314.317	0.147	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1CC(C)C	ZINC001602820244	1169188651	/nfs/dbraw/zinc/18/86/51/1169188651.db2.gz	FPZNZRQCIYLGPC-WDEREUQCSA-N	-1	0	310.354	0.443	20	30		DCEDRM
C=CCCCCCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC001602834348	1169190143	/nfs/dbraw/zinc/19/01/43/1169190143.db2.gz	QFDLHDAIDSPZMM-UHFFFAOYSA-N	-1	0	304.358	0.711	20	30		DCEDRM
C=CCNC(=S)NCCNc1ccc(-c2nn[nH]n2)cn1	ZINC001602862475	1169194062	/nfs/dbraw/zinc/19/40/62/1169194062.db2.gz	DMPDJCJSQJYJQY-UHFFFAOYSA-N	-1	0	304.383	0.324	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC001602880330	1169198715	/nfs/dbraw/zinc/19/87/15/1169198715.db2.gz	KGBNNHMUCKOWHG-WDEREUQCSA-N	-1	0	319.379	0.621	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001602887898	1169199663	/nfs/dbraw/zinc/19/96/63/1169199663.db2.gz	XVUSFFGDHVGNBF-QWHCGFSZSA-N	-1	0	324.377	0.525	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CSc1cccc[n+]1[O-])C(=O)[O-]	ZINC001602908641	1169201583	/nfs/dbraw/zinc/20/15/83/1169201583.db2.gz	AQTUNJKDIWJIQL-JTQLQIEISA-N	-1	0	312.347	0.184	20	30		DCEDRM
C=CCOCC(=O)NCC1(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001602906705	1169201768	/nfs/dbraw/zinc/20/17/68/1169201768.db2.gz	KVHPRVZMGLSJCR-QWRGUYRKSA-N	-1	0	310.350	0.065	20	30		DCEDRM
C=CCNc1ncc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)s1	ZINC001602904536	1169201824	/nfs/dbraw/zinc/20/18/24/1169201824.db2.gz	BSDDQENEDNDMHH-CYBMUJFWSA-N	-1	0	311.363	0.962	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C(=O)c1cnn(C(C)(C)C)c1)C(=O)[O-]	ZINC001602906751	1169201878	/nfs/dbraw/zinc/20/18/78/1169201878.db2.gz	MLKRQZZGZDSHLN-NSHDSACASA-N	-1	0	323.349	0.593	20	30		DCEDRM
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]2C(=O)[O-])c1	ZINC001602904957	1169202131	/nfs/dbraw/zinc/20/21/31/1169202131.db2.gz	OCSKJYZPXOANSL-LBPRGKRZSA-N	-1	0	324.358	0.450	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C)c(C(=O)OC)o1)C(=O)[O-]	ZINC001602909115	1169202513	/nfs/dbraw/zinc/20/25/13/1169202513.db2.gz	OCFQEEHNLQSDKY-SECBINFHSA-N	-1	0	311.290	0.760	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C)n1)C(=O)[O-]	ZINC001602912685	1169202874	/nfs/dbraw/zinc/20/28/74/1169202874.db2.gz	BALLTZLKDUEAPB-LLVKDONJSA-N	-1	0	309.278	0.684	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnc(SC)[nH]c1=O)C(=O)[O-]	ZINC001602912769	1169203213	/nfs/dbraw/zinc/20/32/13/1169203213.db2.gz	CRXSIMUYMZOPJN-MRVPVSSYSA-N	-1	0	313.335	0.290	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccc(F)nc1F)C(=O)[O-]	ZINC001602915632	1169204023	/nfs/dbraw/zinc/20/40/23/1169204023.db2.gz	PNEZABXJFHNTGX-ZETCQYMHSA-N	-1	0	322.289	0.294	20	30		DCEDRM
C=CCOCCCn1nnnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001602915593	1169204349	/nfs/dbraw/zinc/20/43/49/1169204349.db2.gz	OIJLOGUBYFUULJ-NWDGAFQWSA-N	-1	0	309.370	0.813	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1nnn(C)c1C(F)(F)F)C(=O)[O-]	ZINC001602914987	1169205073	/nfs/dbraw/zinc/20/50/73/1169205073.db2.gz	NITHXPBFEDVBIF-LURJTMIESA-N	-1	0	322.243	0.220	20	30		DCEDRM
C=CCn1c([C@H]2CCOC2)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001602933254	1169211172	/nfs/dbraw/zinc/21/11/72/1169211172.db2.gz	XCSNKHRICAGMDD-XHDPSFHLSA-N	-1	0	322.365	0.648	20	30		DCEDRM
C=CCn1c(C)nnc1N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001602932071	1169211184	/nfs/dbraw/zinc/21/11/84/1169211184.db2.gz	IZVJIAWKYVPRLD-NSHDSACASA-N	-1	0	317.353	0.904	20	30		DCEDRM
C=CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602930521	1169211355	/nfs/dbraw/zinc/21/13/55/1169211355.db2.gz	XDZZYTWPPIXONE-GFCCVEGCSA-N	-1	0	317.349	0.759	20	30		DCEDRM
CC(C)(C)OC(=O)CSc1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001603085264	1169245138	/nfs/dbraw/zinc/24/51/38/1169245138.db2.gz	NBDHZODJLGHRAO-UHFFFAOYSA-N	-1	0	319.350	0.962	20	30		DCEDRM
C[C@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)n1cnc(C#N)n1	ZINC001603166799	1169263933	/nfs/dbraw/zinc/26/39/33/1169263933.db2.gz	NXFLVOXTFNOTJX-SNVBAGLBSA-N	-1	0	313.317	0.768	20	30		DCEDRM
CC(C)C#CC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001603699818	1169363938	/nfs/dbraw/zinc/36/39/38/1169363938.db2.gz	DXYLGYOSODUIHC-GFCCVEGCSA-N	-1	0	302.334	0.847	20	30		DCEDRM
C[C@](CO)(NS(=O)(=O)c1cccc(C#N)c1Cl)C(=O)[O-]	ZINC001604198229	1169522216	/nfs/dbraw/zinc/52/22/16/1169522216.db2.gz	DGHUEPNEQSTARW-LLVKDONJSA-N	-1	0	318.738	0.326	20	30		DCEDRM
C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1Nc1ncc(C(=O)[O-])cn1	ZINC001604766834	1169674250	/nfs/dbraw/zinc/67/42/50/1169674250.db2.gz	BTFMIEGSIHFIJA-GWCFXTLKSA-N	-1	0	314.345	0.847	20	30		DCEDRM
C[C@@H]1CN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C[C@@H](C)N1CC#N	ZINC001604775226	1169678378	/nfs/dbraw/zinc/67/83/78/1169678378.db2.gz	GBFMEIYSYAELEO-MXOJCPGVSA-N	-1	0	320.393	0.867	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)CC(C)(C)C(=O)[O-])C[C@H](C)N1CC#N	ZINC001604803515	1169690958	/nfs/dbraw/zinc/69/09/58/1169690958.db2.gz	SKXDEWNDRIAQTL-QWRGUYRKSA-N	-1	0	317.411	0.345	20	30		DCEDRM
COC(=O)C(C)(C)CCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001604901138	1169736978	/nfs/dbraw/zinc/73/69/78/1169736978.db2.gz	PRHJVGLHAQOLAR-UHFFFAOYSA-N	-1	0	316.325	0.530	20	30		DCEDRM
CC[C@H](CNC(=O)C(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC001605023219	1169784590	/nfs/dbraw/zinc/78/45/90/1169784590.db2.gz	IIWSOUIDBBROQR-SNVBAGLBSA-N	-1	0	319.317	0.754	20	30		DCEDRM
CCN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1nccnc1C#N	ZINC001605445075	1169922849	/nfs/dbraw/zinc/92/28/49/1169922849.db2.gz	JCXKYGUZXWPOKK-MNOVXSKESA-N	-1	0	317.349	0.402	20	30		DCEDRM
CCOCc1cccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC001605645323	1169980476	/nfs/dbraw/zinc/98/04/76/1169980476.db2.gz	SPLGMMARLBVMJM-UHFFFAOYSA-N	-1	0	312.347	0.822	20	30		DCEDRM
CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1nccnc1C#N	ZINC001606121715	1170083335	/nfs/dbraw/zinc/08/33/35/1170083335.db2.gz	ODPRPWGGXPQUGA-VHSXEESVSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CN1C[C@H](C(=O)[O-])N(C(=O)CC2(C#N)CCCCC2)CC1=O	ZINC001606198762	1170109730	/nfs/dbraw/zinc/10/97/30/1170109730.db2.gz	ZUBZJYYPPYXJBK-LLVKDONJSA-N	-1	0	307.350	0.604	20	30		DCEDRM
N#CC1(CNS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC001606342473	1170163539	/nfs/dbraw/zinc/16/35/39/1170163539.db2.gz	AGTMMWFTTITTQC-UHFFFAOYSA-N	-1	0	322.325	0.588	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(C#N)cn1C	ZINC001606383344	1170176127	/nfs/dbraw/zinc/17/61/27/1170176127.db2.gz	DUJUUBCGJYJNFV-WDEREUQCSA-N	-1	0	319.317	0.375	20	30		DCEDRM
N#Cc1ncc(NC[C@@H](O)c2ccccc2)nc1-c1nnn[n-]1	ZINC001606398274	1170184243	/nfs/dbraw/zinc/18/42/43/1170184243.db2.gz	UMUIUBNPNIPDRD-LLVKDONJSA-N	-1	0	308.305	0.674	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)C[C@H]1C(=O)[O-]	ZINC001606418192	1170193288	/nfs/dbraw/zinc/19/32/88/1170193288.db2.gz	LSVKFMGJUMGJBQ-OLZOCXBDSA-N	-1	0	316.313	0.433	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001606519532	1170227145	/nfs/dbraw/zinc/22/71/45/1170227145.db2.gz	NUEZWBGUZJZANS-AOOOYVTPSA-N	-1	0	309.322	0.338	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2sccc2C#N)C1	ZINC001606697167	1170265170	/nfs/dbraw/zinc/26/51/70/1170265170.db2.gz	SVDBWOMPGGPJOO-CYBMUJFWSA-N	-1	0	323.330	0.260	20	30		DCEDRM
COC[C@@](C)(NCC(=O)NCc1cccc(C#N)c1)C(=O)[O-]	ZINC001606791593	1170290485	/nfs/dbraw/zinc/29/04/85/1170290485.db2.gz	SLFPFNDCIYYFEA-OAHLLOKOSA-N	-1	0	305.334	0.254	20	30		DCEDRM
COC[C@@](C)(NS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-]	ZINC001606791214	1170290952	/nfs/dbraw/zinc/29/09/52/1170290952.db2.gz	IBGIRDACMVLAJG-LLVKDONJSA-N	-1	0	304.368	0.479	20	30		DCEDRM
CON=Cc1ccc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC001606996743	1170350235	/nfs/dbraw/zinc/35/02/35/1170350235.db2.gz	YIJPFRZSVOBJDD-CHWSQXEVSA-N	-1	0	306.318	0.886	20	30		DCEDRM
CS(=O)(=O)c1ccc(C(N)=NOCC2(C(=O)[O-])CC2)cc1	ZINC001607380031	1170442446	/nfs/dbraw/zinc/44/24/46/1170442446.db2.gz	FPSMRVVPXYTXAB-UHFFFAOYSA-N	-1	0	312.347	0.592	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@@H](C(=O)[O-])O1	ZINC001607439192	1170453358	/nfs/dbraw/zinc/45/33/58/1170453358.db2.gz	SLFVXMDGVBAZCE-KOLCDFICSA-N	-1	0	310.331	0.421	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)Nc1cccc(C#N)c1[N+](=O)[O-])C(=O)[O-]	ZINC001607460494	1170459269	/nfs/dbraw/zinc/45/92/69/1170459269.db2.gz	JPFIKPYRAJJFTQ-YUMQZZPRSA-N	-1	0	306.278	0.856	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC001607459754	1170459679	/nfs/dbraw/zinc/45/96/79/1170459679.db2.gz	KHFUPUSZIWABBQ-YUMQZZPRSA-N	-1	0	307.281	0.405	20	30		DCEDRM
Cc1cc(C#N)nc(NCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])n1	ZINC001607566344	1170477594	/nfs/dbraw/zinc/47/75/94/1170477594.db2.gz	UFRKJLSEGCMXMR-QWRGUYRKSA-N	-1	0	303.322	0.248	20	30		DCEDRM
Cc1cc(C(=O)N(CC#N)CCC(=O)[O-])c2c(=O)[nH]n(C)c2n1	ZINC001607570269	1170478038	/nfs/dbraw/zinc/47/80/38/1170478038.db2.gz	ONJXIKJMBYXIGZ-UHFFFAOYSA-N	-1	0	317.305	0.423	20	30		DCEDRM
Cc1nc(N2CCN(c3ccc(C(=O)[O-])nc3C#N)CC2)n[nH]1	ZINC001607937284	1170529564	/nfs/dbraw/zinc/52/95/64/1170529564.db2.gz	SAZSRGXDXWPWRQ-UHFFFAOYSA-N	-1	0	313.321	0.405	20	30		DCEDRM
Cc1onc(CC(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)c1C#N	ZINC001608058635	1170562816	/nfs/dbraw/zinc/56/28/16/1170562816.db2.gz	KWMZAPNDUSVNAW-LBPRGKRZSA-N	-1	0	303.278	0.073	20	30		DCEDRM
N#CC1(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)CCSCC1	ZINC001608172510	1170609103	/nfs/dbraw/zinc/60/91/03/1170609103.db2.gz	XKSVJMHEHQJWHB-QWRGUYRKSA-N	-1	0	312.391	0.877	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCSC[C@@H]2CC(=O)[O-])CC1	ZINC001608175585	1170609569	/nfs/dbraw/zinc/60/95/69/1170609569.db2.gz	JXRLGUYOYHWZSA-VIFPVBQESA-N	-1	0	304.393	0.512	20	30		DCEDRM
N#CC[C@@H](N1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O)C(F)(F)F	ZINC001608178985	1170610169	/nfs/dbraw/zinc/61/01/69/1170610169.db2.gz	UIHYDDHJRXUMFA-DBRKOABJSA-N	-1	0	305.212	0.472	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CCO1	ZINC001608178726	1170610204	/nfs/dbraw/zinc/61/02/04/1170610204.db2.gz	AYIKNKYZXKUULV-GMTAPVOTSA-N	-1	0	302.352	0.184	20	30		DCEDRM
N#C[C@@H]1CSCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC001608179150	1170610381	/nfs/dbraw/zinc/61/03/81/1170610381.db2.gz	GREXBYBDYPQOHB-SSDOTTSWSA-N	-1	0	302.333	0.607	20	30		DCEDRM
N#CCCN(C(=O)CN1C[C@@H](O)C[C@@H]1C(=O)[O-])c1ccccc1	ZINC001608182486	1170611446	/nfs/dbraw/zinc/61/14/46/1170611446.db2.gz	AFSKAWYMROOYOJ-UONOGXRCSA-N	-1	0	317.345	0.453	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CCc1ccccc1C(N)=O	ZINC001608185094	1170611478	/nfs/dbraw/zinc/61/14/78/1170611478.db2.gz	BXSOJPIJBRPVKB-UHFFFAOYSA-N	-1	0	303.318	0.545	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@H]1CCN(CC(F)(F)F)C1	ZINC001608185102	1170611874	/nfs/dbraw/zinc/61/18/74/1170611874.db2.gz	CBJKFZPSFSRILN-VIFPVBQESA-N	-1	0	307.272	0.697	20	30		DCEDRM
N#CCN(C(=O)Cn1cccc(C(=O)[O-])c1=O)c1ccccn1	ZINC001608183039	1170611996	/nfs/dbraw/zinc/61/19/96/1170611996.db2.gz	HPPYMXPEMLLRRC-UHFFFAOYSA-N	-1	0	312.285	0.498	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccccc1-n1cnnn1	ZINC001608186031	1170612336	/nfs/dbraw/zinc/61/23/36/1170612336.db2.gz	AMQXCUJMHQGPJX-UHFFFAOYSA-N	-1	0	300.278	0.103	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)ccc1F	ZINC001608198063	1170613916	/nfs/dbraw/zinc/61/39/16/1170613916.db2.gz	KOBWWYOPZXHSNS-UHFFFAOYSA-N	-1	0	305.265	0.617	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)[nH]1	ZINC001608198974	1170614074	/nfs/dbraw/zinc/61/40/74/1170614074.db2.gz	MVRROQSJZUOBBU-UHFFFAOYSA-N	-1	0	314.305	0.653	20	30		DCEDRM
N#Cc1c(N)n[nH]c1CCCNC(=S)NCCCC(=O)[O-]	ZINC001608191253	1170614208	/nfs/dbraw/zinc/61/42/08/1170614208.db2.gz	JDODSZIFZGIGJX-UHFFFAOYSA-N	-1	0	310.383	0.125	20	30		DCEDRM
N#Cc1ccc(CC(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])cn1	ZINC001608204171	1170614752	/nfs/dbraw/zinc/61/47/52/1170614752.db2.gz	VRNZJNKYYUCJGF-OCCSQVGLSA-N	-1	0	317.345	0.882	20	30		DCEDRM
N#Cc1ccc([C@H](O)CN2CCC[C@H]2C(=O)NCC(=O)[O-])cc1	ZINC001608201896	1170614779	/nfs/dbraw/zinc/61/47/79/1170614779.db2.gz	HVRRUNQHZFMRDG-UONOGXRCSA-N	-1	0	317.345	0.257	20	30		DCEDRM
N#Cc1ccc(CC(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])cn1	ZINC001608204170	1170615034	/nfs/dbraw/zinc/61/50/34/1170615034.db2.gz	VRNZJNKYYUCJGF-JSGCOSHPSA-N	-1	0	317.345	0.882	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1	ZINC001608204633	1170615171	/nfs/dbraw/zinc/61/51/71/1170615171.db2.gz	GQFRBRUMJXAZJQ-TXEJJXNPSA-N	-1	0	301.302	0.154	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)s1	ZINC001608211872	1170616401	/nfs/dbraw/zinc/61/64/01/1170616401.db2.gz	NSHIGYCHPQIHCU-LLVKDONJSA-N	-1	0	316.360	0.389	20	30		DCEDRM
N#Cc1ccncc1N1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001608220726	1170618126	/nfs/dbraw/zinc/61/81/26/1170618126.db2.gz	KSYCRIAZEVPDGZ-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1cnccc1N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001608223109	1170619262	/nfs/dbraw/zinc/61/92/62/1170619262.db2.gz	TUEQZYZBMIHERI-GWNIPJSYSA-N	-1	0	314.345	0.403	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NCc1nc([C@@H]2CCOC2)n[nH]1	ZINC001608223919	1170619276	/nfs/dbraw/zinc/61/92/76/1170619276.db2.gz	HIUOFGBLSSDFMN-MRVPVSSYSA-N	-1	0	314.305	0.886	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])n1	ZINC001608225702	1170619374	/nfs/dbraw/zinc/61/93/74/1170619374.db2.gz	YWRIHMHJULVSIG-LLVKDONJSA-N	-1	0	305.338	0.690	20	30		DCEDRM
N#Cc1csc(CNS(=O)(=O)CC2(C(=O)[O-])CCC2)n1	ZINC001608223423	1170619420	/nfs/dbraw/zinc/61/94/20/1170619420.db2.gz	BZEBCBVSPRDBDC-UHFFFAOYSA-N	-1	0	315.376	0.689	20	30		DCEDRM
N#Cc1cnc(NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cn1	ZINC001608223154	1170619640	/nfs/dbraw/zinc/61/96/40/1170619640.db2.gz	VSIIIDJFDNHVJM-ZJUUUORDSA-N	-1	0	301.306	0.130	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)n1	ZINC001608225655	1170619868	/nfs/dbraw/zinc/61/98/68/1170619868.db2.gz	WWCDITAHBROPHO-ZJUUUORDSA-N	-1	0	306.326	0.092	20	30		DCEDRM
O=C([O-])[C@]1(NC(=O)c2cccc(C#CCO)c2)CCSC1	ZINC001608406731	1170671000	/nfs/dbraw/zinc/67/10/00/1170671000.db2.gz	YWYNDFYMQIFMOF-HNNXBMFYSA-N	-1	0	305.355	0.721	20	30		DCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001609054339	1170793033	/nfs/dbraw/zinc/79/30/33/1170793033.db2.gz	HMHNGPKAWCNJPQ-QMMMGPOBSA-N	-1	0	312.303	0.983	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC001609057732	1170794855	/nfs/dbraw/zinc/79/48/55/1170794855.db2.gz	DLWOZPWDJICAFP-SECBINFHSA-N	-1	0	322.342	0.554	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COc1cnc(-c2nnn[n-]2)nc1	ZINC001609086408	1170804866	/nfs/dbraw/zinc/80/48/66/1170804866.db2.gz	FBPPAZDYCZPELB-CYBMUJFWSA-N	-1	0	316.325	0.090	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)CCOCc1ccccc1)C(=O)[O-]	ZINC001609089998	1170806129	/nfs/dbraw/zinc/80/61/29/1170806129.db2.gz	WYHCKZHOILLCMH-ZDUSSCGKSA-N	-1	0	311.359	0.599	20	30		DCEDRM
C#CC[C@@H]1NC(=O)N(CCc2ccc(C(=O)[O-])cc2OC)C1=O	ZINC001609105359	1170812556	/nfs/dbraw/zinc/81/25/56/1170812556.db2.gz	WOKWYHDLWMXZAY-LBPRGKRZSA-N	-1	0	316.313	0.880	20	30		DCEDRM
C#CCN(C(=O)c1ccc(C(=O)[O-])o1)[C@H]1CCS(=O)(=O)C1	ZINC001609137246	1170823374	/nfs/dbraw/zinc/82/33/74/1170823374.db2.gz	HLRJRAADISBGMI-VIFPVBQESA-N	-1	0	311.315	0.240	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC001609167483	1170834898	/nfs/dbraw/zinc/83/48/98/1170834898.db2.gz	AKOCDQIYCYTIOP-UHFFFAOYSA-N	-1	0	322.292	0.157	20	30		DCEDRM
C#CCOc1cccc(N2C(=O)N[C@H](CCC(=O)[O-])C2=O)c1	ZINC001609167661	1170836737	/nfs/dbraw/zinc/83/67/37/1170836737.db2.gz	QASZHWOGVJIBRG-GFCCVEGCSA-N	-1	0	302.286	0.988	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)c2ncc(C(=O)[O-])cn2)n1	ZINC001609174771	1170845062	/nfs/dbraw/zinc/84/50/62/1170845062.db2.gz	IHONWFPPUAPJGN-UHFFFAOYSA-N	-1	0	315.333	0.658	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001609248379	1170899390	/nfs/dbraw/zinc/89/93/90/1170899390.db2.gz	QYPIQDVLSSVFKG-LBPRGKRZSA-N	-1	0	324.377	0.409	20	30		DCEDRM
C=CCCS(=O)(=O)N1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001609346003	1170948386	/nfs/dbraw/zinc/94/83/86/1170948386.db2.gz	WEVJCYDGVZIOCT-NOOOWODRSA-N	-1	0	303.380	0.987	20	30		DCEDRM
C=CCN1CC[C@H](N[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)C1=O	ZINC001609399032	1170967151	/nfs/dbraw/zinc/96/71/51/1170967151.db2.gz	XOYBVANWNSYZEW-SMDDNHRTSA-N	-1	0	320.345	0.903	20	30		DCEDRM
C=CCO[C@H]1CCN(c2cc(C)nc3nc(C(=O)[O-])nn32)C1	ZINC001609432122	1170974878	/nfs/dbraw/zinc/97/48/78/1170974878.db2.gz	FUDJVHDFMQGZPE-JTQLQIEISA-N	-1	0	303.322	0.912	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccnc1-n1cccn1)C(=O)[O-]	ZINC001609442905	1170978349	/nfs/dbraw/zinc/97/83/49/1170978349.db2.gz	JZNCOGKLHGYVOR-GFCCVEGCSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnc2onc(C)c2c1)C(=O)[O-]	ZINC001609443180	1170979139	/nfs/dbraw/zinc/97/91/39/1170979139.db2.gz	UDIFGDITQRNOOD-NSHDSACASA-N	-1	0	305.290	0.917	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1nc(C)c(C)s1)C(=O)[O-]	ZINC001609452759	1170983970	/nfs/dbraw/zinc/98/39/70/1170983970.db2.gz	WNNIJEHDGYHTSV-VIFPVBQESA-N	-1	0	320.392	0.694	20	30		DCEDRM
N#Cc1ccc(Cn2cncc(-c3nnn[n-]3)c2=O)c(Cl)c1	ZINC001609498432	1170999450	/nfs/dbraw/zinc/99/94/50/1170999450.db2.gz	KTAZPYCLXILJSL-UHFFFAOYSA-N	-1	0	313.708	0.997	20	30		DCEDRM
CC(C)CN(CCC#N)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O	ZINC001609697828	1171069087	/nfs/dbraw/zinc/06/90/87/1171069087.db2.gz	RWAJVVDQXOVRKB-HNNXBMFYSA-N	-1	0	324.381	0.991	20	30		DCEDRM
C[C@@H](CC#N)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC001609725465	1171074966	/nfs/dbraw/zinc/07/49/66/1171074966.db2.gz	FBPJRPCLLOZZMF-JOYOIKCWSA-N	-1	0	317.301	0.284	20	30		DCEDRM
C[C@H](OC(=O)/C=C\c1ccccc1C#N)C(=O)NCC(=O)[O-]	ZINC001609793866	1171087596	/nfs/dbraw/zinc/08/75/96/1171087596.db2.gz	SYSZKESUHLTDEP-GFVADAIESA-N	-1	0	302.286	0.704	20	30		DCEDRM
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[C@H](F)C(=O)[O-])C1=O	ZINC001609826330	1171096617	/nfs/dbraw/zinc/09/66/17/1171096617.db2.gz	HVMVLMFSHJKMCJ-HZMBPMFUSA-N	-1	0	305.265	0.748	20	30		DCEDRM
CCOc1ccc(C(=O)NCC(=O)N(CC#N)CC(=O)[O-])cc1	ZINC001610039346	1171144993	/nfs/dbraw/zinc/14/49/93/1171144993.db2.gz	KSHMUBZYAVYNQV-UHFFFAOYSA-N	-1	0	319.317	0.252	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC001610154723	1171181005	/nfs/dbraw/zinc/18/10/05/1171181005.db2.gz	ZYZBZZCDRQHGHY-LBPRGKRZSA-N	-1	0	316.313	0.988	20	30		DCEDRM
COC(=O)N[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001610190106	1171192476	/nfs/dbraw/zinc/19/24/76/1171192476.db2.gz	HOGLSKZVXZAXJO-KWQFWETISA-N	-1	0	306.274	0.972	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1	ZINC001610277844	1171216380	/nfs/dbraw/zinc/21/63/80/1171216380.db2.gz	SGHZNIKQNLFEQJ-CQSZACIVSA-N	-1	0	320.345	0.965	20	30		DCEDRM
Cn1c(C(=O)[O-])ccc1C(=O)NCC1CCN(CC#N)CC1	ZINC001610596477	1171262984	/nfs/dbraw/zinc/26/29/84/1171262984.db2.gz	UBAXGBNOYMNPAZ-UHFFFAOYSA-N	-1	0	304.350	0.689	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N(CC(=O)[O-])C2CC2)cc1	ZINC001610626115	1171271565	/nfs/dbraw/zinc/27/15/65/1171271565.db2.gz	CKZIPQILFBQUNH-UHFFFAOYSA-N	-1	0	301.302	0.364	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)nc1	ZINC001610626596	1171272820	/nfs/dbraw/zinc/27/28/20/1171272820.db2.gz	NUMCLWYZBZPFHJ-JTQLQIEISA-N	-1	0	312.289	0.330	20	30		DCEDRM
N#Cc1ccncc1N1CCN(c2ncncc2C(=O)[O-])CC1	ZINC001610633562	1171273936	/nfs/dbraw/zinc/27/39/36/1171273936.db2.gz	PXDAESWESPHIEZ-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2(C#N)CCCCC2)c(=O)[n-]c1=O	ZINC001626566703	1171483950	/nfs/dbraw/zinc/48/39/50/1171483950.db2.gz	HLXGKMNVAUETQY-UHFFFAOYSA-N	-1	0	301.306	0.163	20	30		DCEDRM
C#CCOc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001627845541	1171513606	/nfs/dbraw/zinc/51/36/06/1171513606.db2.gz	VYBSEKKOLCQAPI-UHFFFAOYSA-N	-1	0	324.296	0.471	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCOc1ncccn1	ZINC001631428442	1171593046	/nfs/dbraw/zinc/59/30/46/1171593046.db2.gz	DRQYABCCFLFGIM-UHFFFAOYSA-N	-1	0	313.317	0.956	20	30		DCEDRM
C=CCCC(C)(C)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001631656257	1171598178	/nfs/dbraw/zinc/59/81/78/1171598178.db2.gz	YNDARDALOMGXIJ-UHFFFAOYSA-N	-1	0	304.350	0.929	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC001635342161	1171699324	/nfs/dbraw/zinc/69/93/24/1171699324.db2.gz	CDWSQYIJHYHUPB-VIFPVBQESA-N	-1	0	304.306	0.493	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)c1nn(-c2cccc(F)c2)cc1[O-]	ZINC001636838491	1171750212	/nfs/dbraw/zinc/75/02/12/1171750212.db2.gz	BLJADWUDTKQLNJ-NSHDSACASA-N	-1	0	303.293	0.831	20	30		DCEDRM
C=CCO[N-]C(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O	ZINC001640825424	1171894634	/nfs/dbraw/zinc/89/46/34/1171894634.db2.gz	SZICCCYANGWGBU-WPRPVWTQSA-N	-1	0	320.392	0.010	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)CCc1cncnc1	ZINC001645798683	1172147689	/nfs/dbraw/zinc/14/76/89/1172147689.db2.gz	LWCXYHRIRFUPOS-UHFFFAOYSA-N	-1	0	316.342	0.786	20	30		DCEDRM
CC(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@@H](C#N)C1	ZINC001646852530	1172563578	/nfs/dbraw/zinc/56/35/78/1172563578.db2.gz	JSJFRQIDVQIYSD-NSHDSACASA-N	-1	0	315.381	0.898	20	30		DCEDRM
Cn1ccc(CCC(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)n1	ZINC001647204625	1172740098	/nfs/dbraw/zinc/74/00/98/1172740098.db2.gz	OUDZNDIPEMXGDN-UHFFFAOYSA-N	-1	0	319.346	0.124	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC(c3ccncc3)CC2)c(C#N)c1=O	ZINC001647627141	1173004482	/nfs/dbraw/zinc/00/44/82/1173004482.db2.gz	DXFGSWREAGFVPS-UHFFFAOYSA-N	-1	0	311.345	0.724	20	30		DCEDRM
CCn1[n-]cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C)c1=O	ZINC001647688610	1173035565	/nfs/dbraw/zinc/03/55/65/1173035565.db2.gz	HFJIGASRQFDIMF-ZDUSSCGKSA-N	-1	0	305.317	0.846	20	30		DCEDRM
CCN(CC)C(=O)CCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001650728812	1173730838	/nfs/dbraw/zinc/73/08/38/1173730838.db2.gz	RENWAALEDFKVJY-UHFFFAOYSA-N	-1	0	307.354	0.006	20	30		DCEDRM
C=CCCn1cc(C(=O)N(Cc2nnn[n-]2)CC(C)C)nn1	ZINC001651181747	1173741483	/nfs/dbraw/zinc/74/14/83/1173741483.db2.gz	DRDVTILFVXZAQN-UHFFFAOYSA-N	-1	0	304.358	0.666	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2cccc(-c3nnco3)c2)c(C#N)c1=O	ZINC001654955190	1173813316	/nfs/dbraw/zinc/81/33/16/1173813316.db2.gz	MEFDLARBXKRHGP-UHFFFAOYSA-N	-1	0	311.257	0.788	20	30		DCEDRM
CO[N-]C(=O)CNS(=O)(=O)Cc1c(C)cc(C#N)cc1C	ZINC001665890560	1174572690	/nfs/dbraw/zinc/57/26/90/1174572690.db2.gz	FYZSMBRLVMUCKO-UHFFFAOYSA-N	-1	0	311.363	0.272	20	30		DCEDRM
O=C(C#CC1CC1)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001677562905	1175582508	/nfs/dbraw/zinc/58/25/08/1175582508.db2.gz	RNLSFRJIWXVTSA-UHFFFAOYSA-N	-1	0	301.350	0.172	20	30		DCEDRM
C=C[C@@H](C)[C@@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1	ZINC001679099351	1175700233	/nfs/dbraw/zinc/70/02/33/1175700233.db2.gz	XFEZVVXFNPPZAU-DDHJBXDOSA-N	-1	0	305.382	0.888	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CCCC#CC)n1	ZINC001692132705	1177422141	/nfs/dbraw/zinc/42/21/41/1177422141.db2.gz	DPHMHRVQZREYOS-UHFFFAOYSA-N	-1	0	300.362	0.715	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)C[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001701613265	1179088936	/nfs/dbraw/zinc/08/89/36/1179088936.db2.gz	GFNXBIADIGCFPA-BJOHPYRUSA-N	-1	0	324.381	0.328	20	30		DCEDRM
C#CCCCCCC(=O)N(C)C[C@H](C)NC(=O)c1cn[nH]n1	ZINC001701643636	1179099690	/nfs/dbraw/zinc/09/96/90/1179099690.db2.gz	MFYQRPASPVKBIX-LBPRGKRZSA-N	-1	0	305.382	0.965	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001705229203	1180309327	/nfs/dbraw/zinc/30/93/27/1180309327.db2.gz	QBVLXUZEDYJYPJ-JTQLQIEISA-N	-1	0	306.366	0.967	20	30		DCEDRM
C=CCOCC(=O)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001715311398	1181768263	/nfs/dbraw/zinc/76/82/63/1181768263.db2.gz	MQCNXMNPYJSGKD-UHFFFAOYSA-N	-1	0	321.381	0.137	20	30		DCEDRM
C=CCCC(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001717040412	1182639443	/nfs/dbraw/zinc/63/94/43/1182639443.db2.gz	SXAMAZCSKGJXRQ-NWDGAFQWSA-N	-1	0	305.382	0.899	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001725624576	1184917352	/nfs/dbraw/zinc/91/73/52/1184917352.db2.gz	JHLGMGHOLNNVES-VXGBXAGGSA-N	-1	0	305.382	0.639	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001725963914	1185057620	/nfs/dbraw/zinc/05/76/20/1185057620.db2.gz	MDWKBKZKZQUIEZ-VFZGTOFNSA-N	-1	0	324.381	0.328	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)C#CC(C)C)c1[O-]	ZINC001725963635	1185058270	/nfs/dbraw/zinc/05/82/70/1185058270.db2.gz	KLABZSOIBGQHJQ-SNVBAGLBSA-N	-1	0	306.366	0.660	20	30		DCEDRM
CCN(C(=O)C#CC(C)C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001732183007	1185725098	/nfs/dbraw/zinc/72/50/98/1185725098.db2.gz	HKJRMWIVZZLOSM-LBPRGKRZSA-N	-1	0	305.382	0.593	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1C[C@@H](NC(=O)c2cn[nH]n2)C12CCC2	ZINC001739473907	1187803201	/nfs/dbraw/zinc/80/32/01/1187803201.db2.gz	MOKCXHFSMAYBID-CHWSQXEVSA-N	-1	0	315.377	0.621	20	30		DCEDRM
C#CCN(C(=O)C(C)(C)F)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001754634630	1188895019	/nfs/dbraw/zinc/89/50/19/1188895019.db2.gz	YFPDUKWBDQAODV-UHFFFAOYSA-N	-1	0	323.372	0.685	20	30		DCEDRM
CCN(CCCNC(=O)C#CC1CC1)C(=O)c1n[nH]c(C)c1[O-]	ZINC001758494612	1189907775	/nfs/dbraw/zinc/90/77/75/1189907775.db2.gz	RCTQUHFZKUTUBQ-UHFFFAOYSA-N	-1	0	318.377	0.806	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2Cc3cncn3C2)cc1C#N	ZINC001771813782	1190510437	/nfs/dbraw/zinc/51/04/37/1190510437.db2.gz	XVCUBKOMMQOCEM-VIFPVBQESA-N	-1	0	315.358	0.932	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1[nH]c(=O)ncc1C=C	ZINC001227713853	749285387	/nfs/dbraw/zinc/28/53/87/749285387.db2.gz	OVCCJHBMHVXQQO-JTQLQIEISA-N	-1	0	316.335	0.663	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCNc2cncc(C#N)n2)c1[O-]	ZINC001106282889	751084934	/nfs/dbraw/zinc/08/49/34/751084934.db2.gz	GHIMEYUOOAMCRA-MRVPVSSYSA-N	-1	0	315.337	0.706	20	30		DCEDRM
C=CCCC(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001107801989	752346914	/nfs/dbraw/zinc/34/69/14/752346914.db2.gz	GGLTULXVMFLGBS-CQSZACIVSA-N	-1	0	309.370	0.184	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)N(C)c2ccc(C#N)nn2)c1[O-]	ZINC001113551344	762380545	/nfs/dbraw/zinc/38/05/45/762380545.db2.gz	GREJZRVJZWWSPC-QMMMGPOBSA-N	-1	0	315.337	0.340	20	30		DCEDRM
CC#CCN1CC2(C1)CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])O2	ZINC001053589896	756107405	/nfs/dbraw/zinc/10/74/05/756107405.db2.gz	UMOMFMFUHBNYQM-LBPRGKRZSA-N	-1	0	318.377	0.410	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2C[C@H](C)[C@H](NCC#N)C2)cc1=O	ZINC001054873121	756662492	/nfs/dbraw/zinc/66/24/92/756662492.db2.gz	UVGXXYNUEPDDDP-GXTWGEPZSA-N	-1	0	319.409	0.335	20	30		DCEDRM
N#Cc1cncc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[nH]n2)C3)n1	ZINC001055248788	756764402	/nfs/dbraw/zinc/76/44/02/756764402.db2.gz	AYXNMDOXXUNAKI-SCVCMEIPSA-N	-1	0	310.321	0.006	20	30		DCEDRM
C[C@]1(Br)C[C@@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001118856141	757085738	/nfs/dbraw/zinc/08/57/38/757085738.db2.gz	QGKLGYPPDKXLEX-APPZFPTMSA-N	-1	0	309.185	0.910	20	30		DCEDRM
C=CCN1CCOC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001051207714	758511517	/nfs/dbraw/zinc/51/15/17/758511517.db2.gz	VENOPKRCYAXDOR-JTQLQIEISA-N	-1	0	318.333	0.545	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)c1[O-]	ZINC001058327729	759894037	/nfs/dbraw/zinc/89/40/37/759894037.db2.gz	DNERCLROHQSKAQ-JTQLQIEISA-N	-1	0	313.321	0.094	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(c3ncccc3C#N)C2)c1[O-]	ZINC001058328910	759894327	/nfs/dbraw/zinc/89/43/27/759894327.db2.gz	ZOYOUBOIAJZGKY-NSHDSACASA-N	-1	0	312.333	0.699	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001070554184	761312290	/nfs/dbraw/zinc/31/22/90/761312290.db2.gz	KJJDXSQVCGHVEG-LLVKDONJSA-N	-1	0	322.365	0.347	20	30		DCEDRM
C=CCCOCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001148893534	768046813	/nfs/dbraw/zinc/04/68/13/768046813.db2.gz	MQRYSSICSVGZNM-UHFFFAOYSA-N	-1	0	321.381	0.137	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@H](C)Nc2ccncc2C#N)c1[O-]	ZINC001098984610	762772181	/nfs/dbraw/zinc/77/21/81/762772181.db2.gz	NOPXIZHASZDHQH-VIFPVBQESA-N	-1	0	314.349	0.733	20	30		DCEDRM
C=CCC1(O)CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1	ZINC001124027632	768102058	/nfs/dbraw/zinc/10/20/58/768102058.db2.gz	FPFFAFDSTUVNEN-UHFFFAOYSA-N	-1	0	311.363	0.216	20	30		DCEDRM
CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1ccc(C#N)nn1	ZINC001103046344	764920869	/nfs/dbraw/zinc/92/08/69/764920869.db2.gz	RHJPRCWAMVKMJJ-VIFPVBQESA-N	-1	0	315.337	0.706	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1ncncc1C)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170746715	765473881	/nfs/dbraw/zinc/47/38/81/765473881.db2.gz	CUVGWQMXHONWEQ-QMTHXVAHSA-N	-1	0	322.390	0.750	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)n1	ZINC001116658126	765893670	/nfs/dbraw/zinc/89/36/70/765893670.db2.gz	IRKMCXWUIXKTGB-UHFFFAOYSA-N	-1	0	317.334	0.374	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CC12CCS(=O)(=O)CC2	ZINC001116906552	765925821	/nfs/dbraw/zinc/92/58/21/765925821.db2.gz	MOSOIQKBCBPCRG-SNVBAGLBSA-N	-1	0	301.364	0.301	20	30		DCEDRM
CCC[C@@H](C#N)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001136475403	766304661	/nfs/dbraw/zinc/30/46/61/766304661.db2.gz	DATYASUOQJGWPX-JTQLQIEISA-N	-1	0	301.306	0.688	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1	ZINC001118483529	766328768	/nfs/dbraw/zinc/32/87/68/766328768.db2.gz	RHUAUXLVSGUIFP-UHFFFAOYSA-N	-1	0	314.407	0.493	20	30		DCEDRM
C=C(Cc1ccccc1)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C	ZINC001144407864	766891577	/nfs/dbraw/zinc/89/15/77/766891577.db2.gz	MFWVJTMOQQIKCI-JQWIXIFHSA-N	-1	0	324.358	0.304	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)N1CCC[C@](CC)(C(=O)[O-])C1	ZINC001120419628	767003380	/nfs/dbraw/zinc/00/33/80/767003380.db2.gz	VYLDBKSGVOHWSF-HNNXBMFYSA-N	-1	0	312.366	0.409	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(S(C)(=O)=O)c(C)o1	ZINC001122515502	767822071	/nfs/dbraw/zinc/82/20/71/767822071.db2.gz	FQONTDVJJZCWTJ-SECBINFHSA-N	-1	0	310.331	0.616	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCNc2nc(C)ccc2C#N)c1[O-]	ZINC001093585138	768638463	/nfs/dbraw/zinc/63/84/63/768638463.db2.gz	DBWLHZZDYAJWRY-UHFFFAOYSA-N	-1	0	300.322	0.841	20	30		DCEDRM
N#Cc1ccc(CC(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)cn1	ZINC001149500872	768768461	/nfs/dbraw/zinc/76/84/61/768768461.db2.gz	QIRXERQJSCULDS-OAHLLOKOSA-N	-1	0	319.328	0.915	20	30		DCEDRM
N#C[C@H]1CNCCN1C(=O)c1sc(C(=O)[O-])c2c1OCCO2	ZINC001152700500	769625641	/nfs/dbraw/zinc/62/56/41/769625641.db2.gz	GYFWCDHLIBVLPO-ZETCQYMHSA-N	-1	0	323.330	0.155	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCC(N)=O	ZINC001152779454	769639608	/nfs/dbraw/zinc/63/96/08/769639608.db2.gz	VCNXYMASYWLPCI-MRVPVSSYSA-N	-1	0	321.761	0.555	20	30		DCEDRM
CC(C)=Nc1ncnc2c1ncn2CCOC[P@@](=O)([O-])O	ZINC001174788673	769795988	/nfs/dbraw/zinc/79/59/88/769795988.db2.gz	PNQXNLRBCVKHSV-UHFFFAOYSA-N	-1	0	313.254	0.924	20	30		DCEDRM
N#Cc1ccc2[n-]c(C(=O)Nc3c[nH]nc3C(N)=O)cc(=O)c2c1	ZINC001154552309	770217426	/nfs/dbraw/zinc/21/74/26/770217426.db2.gz	REKGBZVKMZWWOU-UHFFFAOYSA-N	-1	0	322.284	0.474	20	30		DCEDRM
N#Cc1c(N)nn(C(=O)c2nc3nc(Cl)ccc3[n-]2)c1N	ZINC001155171586	770421884	/nfs/dbraw/zinc/42/18/84/770421884.db2.gz	UIXMMFBDUFXXJE-UHFFFAOYSA-N	-1	0	302.685	0.532	20	30		DCEDRM
N#Cc1cc2cccnc2nc1NC(=O)Cn1nn[n-]c1=S	ZINC001177735193	770538103	/nfs/dbraw/zinc/53/81/03/770538103.db2.gz	BNXCUUXUQJIYNI-UHFFFAOYSA-N	-1	0	312.318	0.415	20	30		DCEDRM
CN1C(=O)C[C@@H](C(=O)Nc2cc(C#N)c(F)cc2[O-])NC1=O	ZINC001181133526	771237544	/nfs/dbraw/zinc/23/75/44/771237544.db2.gz	ZQVSAFFOLIUZDE-VIFPVBQESA-N	-1	0	306.253	0.282	20	30		DCEDRM
N#CN=C(NC([O-])=Cc1cn2cccnc2n1)c1ccncc1	ZINC001182748679	771548169	/nfs/dbraw/zinc/54/81/69/771548169.db2.gz	QUWAYGBXSUXCGO-UHFFFAOYSA-N	-1	0	305.301	0.711	20	30		DCEDRM
C[C@]1(O)C=C[C@@H](O)C(C(=O)Nc2cc(C#N)c(F)cc2[O-])=C1	ZINC001183542567	771659750	/nfs/dbraw/zinc/65/97/50/771659750.db2.gz	RSBNQIRJDSFGLE-DOMZBBRYSA-N	-1	0	304.277	0.950	20	30		DCEDRM
COC(=O)c1ccnc([N-]c2c(C#N)cnn2C(=O)OC)n1	ZINC001158964601	771840124	/nfs/dbraw/zinc/84/01/24/771840124.db2.gz	CFKROAJMSQLEDO-UHFFFAOYSA-N	-1	0	302.250	0.689	20	30		DCEDRM
CSc1ncc([O-])c(C(=O)N2CCN(CCC#N)CC2)n1	ZINC001185175824	771873227	/nfs/dbraw/zinc/87/32/27/771873227.db2.gz	CPLWPBSEEKGRLR-UHFFFAOYSA-N	-1	0	307.379	0.576	20	30		DCEDRM
CCOCCS(=O)(=O)[N-]c1c(C#N)cnn1-c1ccccn1	ZINC001187246377	772153011	/nfs/dbraw/zinc/15/30/11/772153011.db2.gz	OUQFYJRNTMOGFI-UHFFFAOYSA-N	-1	0	321.362	0.917	20	30		DCEDRM
CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCOC[C@H]1C#N	ZINC001187995178	772256155	/nfs/dbraw/zinc/25/61/55/772256155.db2.gz	NMERASFBXDIGMA-LLVKDONJSA-N	-1	0	323.374	0.813	20	30		DCEDRM
CCCCCCCCS(=O)(=O)N[C@H](CC(N)=O)C(=O)OC	ZINC001188030418	772261090	/nfs/dbraw/zinc/26/10/90/772261090.db2.gz	MRONGYWMOPFDKV-LLVKDONJSA-N	-1	0	322.427	0.683	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2ccc([N+](=O)[O-])cc2F)c1=O	ZINC001189574153	772499938	/nfs/dbraw/zinc/49/99/38/772499938.db2.gz	JJHWMLVDEHFIDD-UHFFFAOYSA-N	-1	0	318.220	0.338	20	30		DCEDRM
C#CCC[C@@H](O)C[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC001189624208	772507556	/nfs/dbraw/zinc/50/75/56/772507556.db2.gz	WRKCAFNQIMFHQM-SECBINFHSA-N	-1	0	301.320	0.119	20	30		DCEDRM
C#C[C@H](C)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-]	ZINC001191045790	772718548	/nfs/dbraw/zinc/71/85/48/772718548.db2.gz	JFCOIXIGCCTSIR-LURJTMIESA-N	-1	0	302.739	0.445	20	30		DCEDRM
CC(=O)/C=C(/C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001192737104	772950699	/nfs/dbraw/zinc/95/06/99/772950699.db2.gz	GNOAEQSDGPEPRW-CLFYSBASSA-N	-1	0	313.331	0.921	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC(OCC)OCC	ZINC001204915684	772969069	/nfs/dbraw/zinc/96/90/69/772969069.db2.gz	KFQPDUXSQIYEPK-LLVKDONJSA-N	-1	0	312.384	0.861	20	30		DCEDRM
COC(=O)c1nn(C)c2ccc([N-]S(=O)(=O)CC#N)cc21	ZINC001192985559	772983906	/nfs/dbraw/zinc/98/39/06/772983906.db2.gz	GVSLHGYLJFEXQR-UHFFFAOYSA-N	-1	0	308.319	0.625	20	30		DCEDRM
COC(=O)[C@@H]([N-]S(=O)(=O)CC#N)C(F)(F)c1ccccc1	ZINC001193002722	772987771	/nfs/dbraw/zinc/98/77/71/772987771.db2.gz	MHCVLAMIYSPVOL-SNVBAGLBSA-N	-1	0	318.301	0.763	20	30		DCEDRM
CCOC(=O)c1nc(Cl)ncc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193107670	773006827	/nfs/dbraw/zinc/00/68/27/773006827.db2.gz	ZOVLZCAYIUWSPN-ZCFIWIBFSA-N	-1	0	318.742	0.960	20	30		DCEDRM
COc1cc([N-]S(=O)(=O)[C@@H](C)C#N)c(C(N)=O)cc1OC	ZINC001193148802	773018303	/nfs/dbraw/zinc/01/83/03/773018303.db2.gz	FMXFNASYABNXTN-ZETCQYMHSA-N	-1	0	313.335	0.456	20	30		DCEDRM
N#Cc1cc(C(=O)N=C(N)c2ccc(C(N)=O)cc2)ccc1[O-]	ZINC001193514831	773076805	/nfs/dbraw/zinc/07/68/05/773076805.db2.gz	HUYJLNHXPUMYRX-UHFFFAOYSA-N	-1	0	308.297	0.908	20	30		DCEDRM
N#Cc1cccc(C(=O)NCC2(N3CCCC3)COC2)c1[O-]	ZINC001193657699	773098967	/nfs/dbraw/zinc/09/89/67/773098967.db2.gz	BWQZHWPNOYRXIE-UHFFFAOYSA-N	-1	0	301.346	0.858	20	30		DCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)C1CCC(=O)CC1	ZINC001194759557	773257946	/nfs/dbraw/zinc/25/79/46/773257946.db2.gz	OSCOWLOICONESQ-UHFFFAOYSA-N	-1	0	319.346	0.854	20	30		DCEDRM
N#Cc1ccc(C(=O)NCCN2CCCS2(=O)=O)c([O-])c1	ZINC001195769164	773471212	/nfs/dbraw/zinc/47/12/12/773471212.db2.gz	WMRVBYOPGGZGTC-UHFFFAOYSA-N	-1	0	309.347	0.029	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCc3[nH]c(=O)[nH]c(=O)c3C2)c([O-])c1	ZINC001195741895	773474424	/nfs/dbraw/zinc/47/44/24/773474424.db2.gz	RULMCXXTFYPLOE-UHFFFAOYSA-N	-1	0	312.285	0.664	20	30		DCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)Cc1c(F)cccc1F	ZINC001197623085	773771087	/nfs/dbraw/zinc/77/10/87/773771087.db2.gz	RQXGCHCQNRIIAM-NSHDSACASA-N	-1	0	318.301	0.839	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001211425538	773802547	/nfs/dbraw/zinc/80/25/47/773802547.db2.gz	NTXFFRUEPCAMAM-GMTAPVOTSA-N	-1	0	309.370	0.038	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]c2cnc(C(N)=O)nc2)cc1C#N	ZINC001201295303	774484028	/nfs/dbraw/zinc/48/40/28/774484028.db2.gz	PIZPCKNJFMKTIJ-UHFFFAOYSA-N	-1	0	317.330	0.556	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1C#N	ZINC001201324478	774487323	/nfs/dbraw/zinc/48/73/23/774487323.db2.gz	CGMCALMFZFESIY-SNVBAGLBSA-N	-1	0	311.344	0.454	20	30		DCEDRM
C=CCC[C@@H](NC(=O)[C@H]1CCCN1c1ncccn1)C(=O)[O-]	ZINC000316380935	774949479	/nfs/dbraw/zinc/94/94/79/774949479.db2.gz	SWMWJBJPJLDUJZ-VXGBXAGGSA-N	-1	0	304.350	0.981	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1[nH]c(=S)ncc1C	ZINC001225742139	775713683	/nfs/dbraw/zinc/71/36/83/775713683.db2.gz	HTUDRFJVHULVKZ-SECBINFHSA-N	-1	0	320.392	0.912	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1n[nH]c(=O)[n-]1	ZINC001226170931	775775771	/nfs/dbraw/zinc/77/57/71/775775771.db2.gz	TZMVDRAIEJNLGY-VXGBXAGGSA-N	-1	0	321.381	0.067	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(=O)[nH]c(C)n1	ZINC001226509705	775829044	/nfs/dbraw/zinc/82/90/44/775829044.db2.gz	BXVKMMGLXWUTGG-VIFPVBQESA-N	-1	0	304.324	0.328	20	30		DCEDRM
C#CCN(C1CCOCC1)S(=O)(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC001465108392	804099515	/nfs/dbraw/zinc/09/95/15/804099515.db2.gz	YYHHMQOMAUMDFY-CHWSQXEVSA-N	-1	0	315.391	0.684	20	30		DCEDRM
N#CCC1(CS(=O)(=O)NCc2ncc(C(=O)[O-])s2)CC1	ZINC001601063102	1168579775	/nfs/dbraw/zinc/57/97/75/1168579775.db2.gz	QDGUOOGLIVZZEL-UHFFFAOYSA-N	-1	0	315.376	0.955	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1	ZINC001602684021	1169158448	/nfs/dbraw/zinc/15/84/48/1169158448.db2.gz	XDEWYMBDNJHPNK-NSHDSACASA-N	-1	0	306.318	0.577	20	30		DCEDRM
CS(=O)(=O)[N-]c1nnc(NC(=O)CSCC#N)s1	ZINC001318000111	945235188	/nfs/dbraw/zinc/23/51/88/945235188.db2.gz	IFBGYTZLFYTDNB-UHFFFAOYSA-N	-1	0	307.382	0.105	20	30		DCEDRM
Cc1cc(NC(=O)c2cnc(C(=O)[O-])cn2)nn1CCC#N	ZINC001600277616	970792568	/nfs/dbraw/zinc/79/25/68/970792568.db2.gz	VSCBIIFAKODCMV-UHFFFAOYSA-N	-1	0	300.278	0.846	20	30		DCEDRM
C=C(C)CN1C(=O)COCC12CN(C(=O)c1ccncc1[O-])C2	ZINC001271401966	941367777	/nfs/dbraw/zinc/36/77/77/941367777.db2.gz	JXOLGBPYEVLZEB-UHFFFAOYSA-N	-1	0	317.345	0.417	20	30		DCEDRM
C#CCN1CC[C@@]2(CCN(C(=O)c3cccc(C#N)c3[O-])C2)C1=O	ZINC001271793849	941452580	/nfs/dbraw/zinc/45/25/80/941452580.db2.gz	GCCHHCWENAMYSF-SFHVURJKSA-N	-1	0	323.352	0.962	20	30		DCEDRM
C=CCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	ZINC000322067214	970843147	/nfs/dbraw/zinc/84/31/47/970843147.db2.gz	ZKWICZSUOGHESR-ZDUSSCGKSA-N	-1	0	318.329	0.667	20	30		DCEDRM
COc1cccc(C2=CCN(c3[n-]c(=O)n(C)c(=O)c3C#N)C2)c1	ZINC001412876443	942120035	/nfs/dbraw/zinc/12/00/35/942120035.db2.gz	GYKVIRUZOHFVNG-UHFFFAOYSA-N	-1	0	324.340	0.857	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c(=O)[n-]c1=O	ZINC001413306522	942617944	/nfs/dbraw/zinc/61/79/44/942617944.db2.gz	DIHXVEVLGUGKQV-SCVCMEIPSA-N	-1	0	302.334	0.373	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cccc3c2CCC3)c(=O)[n-]c1=O	ZINC001413308515	942619752	/nfs/dbraw/zinc/61/97/52/942619752.db2.gz	JBTZDVDEAIGHDV-UHFFFAOYSA-N	-1	0	324.340	0.739	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)c1[O-]	ZINC001056174209	943241744	/nfs/dbraw/zinc/24/17/44/943241744.db2.gz	TTYYHPMDBMALJY-PJXYFTJBSA-N	-1	0	324.344	0.555	20	30		DCEDRM
C=C1CC(C)(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)C1	ZINC001317557419	945052527	/nfs/dbraw/zinc/05/25/27/945052527.db2.gz	YFHVBRSWUCSWAE-UHFFFAOYSA-N	-1	0	305.382	0.947	20	30		DCEDRM
C#CCOC[C@H](O)CNc1ccc(OC)cc1S(=O)(=O)[O-]	ZINC001251867614	945804175	/nfs/dbraw/zinc/80/41/75/945804175.db2.gz	JZNOANTXQNYTNS-SNVBAGLBSA-N	-1	0	315.347	0.365	20	30		DCEDRM
C=CC[C@@H](NC(=O)NCC1CCS(=O)(=O)CC1)C(=O)[O-]	ZINC001321109399	946171465	/nfs/dbraw/zinc/17/14/65/946171465.db2.gz	HMSLFBJRMJYRAD-SNVBAGLBSA-N	-1	0	304.368	0.140	20	30		DCEDRM
C#CCN(CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)OC(C)(C)C	ZINC001602678642	971256102	/nfs/dbraw/zinc/25/61/02/971256102.db2.gz	CQTZOOBFUUHYSS-LLVKDONJSA-N	-1	0	310.350	0.932	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001602679230	971259108	/nfs/dbraw/zinc/25/91/08/971259108.db2.gz	MJHZEWKMFMAESS-UHFFFAOYSA-N	-1	0	304.346	0.231	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1c(C)nn(CC)c1C	ZINC001602679218	971259127	/nfs/dbraw/zinc/25/91/27/971259127.db2.gz	LUCDMJCHQYNSIR-UHFFFAOYSA-N	-1	0	306.322	0.005	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CNC(=O)c1ccc(F)c(F)c1	ZINC001602682053	971264324	/nfs/dbraw/zinc/26/43/24/971264324.db2.gz	DSHIOVZYSRRHLD-UHFFFAOYSA-N	-1	0	310.256	0.241	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cnc(C(N)=O)nc2)cc1	ZINC001258045663	946794975	/nfs/dbraw/zinc/79/49/75/946794975.db2.gz	UOQDWMKNIHTYPP-UHFFFAOYSA-N	-1	0	303.303	0.248	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1COc2cc(OC)ccc2C1	ZINC001602684397	971281162	/nfs/dbraw/zinc/28/11/62/971281162.db2.gz	ZULLSVIIIPQSPI-LBPRGKRZSA-N	-1	0	318.329	0.728	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC[C@H](C(F)(F)F)O1	ZINC001602685650	971282333	/nfs/dbraw/zinc/28/23/33/971282333.db2.gz	CPQPFDICZWUIOA-DTWKUNHWSA-N	-1	0	308.256	0.826	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(C#N)c(C(=O)OC)c1	ZINC001259025869	946898834	/nfs/dbraw/zinc/89/88/34/946898834.db2.gz	CRNILWDSUXFCRS-UHFFFAOYSA-N	-1	0	312.303	0.260	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)Nc2[nH]c(=O)[nH]c(=O)c2N=O)c1	ZINC001259118597	946915534	/nfs/dbraw/zinc/91/55/34/946915534.db2.gz	SJUZEMUWLJFUEP-UHFFFAOYSA-N	-1	0	321.274	0.958	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nc(-c2cnn(C)c2)oc1C	ZINC001602692272	971302152	/nfs/dbraw/zinc/30/21/52/971302152.db2.gz	JDLUYMUTJNWNEO-UHFFFAOYSA-N	-1	0	302.290	0.544	20	30		DCEDRM
C=CCS(=O)(=O)NC1([P@](=O)([O-])O)Cc2ccccc2C1	ZINC001259933175	947025464	/nfs/dbraw/zinc/02/54/64/947025464.db2.gz	NUFSRJKLTLVFLQ-UHFFFAOYSA-N	-1	0	317.303	0.765	20	30		DCEDRM
C#C[C@@](C)(CC)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260179553	947078053	/nfs/dbraw/zinc/07/80/53/947078053.db2.gz	MYNHMEWBHXSLOO-NSHDSACASA-N	-1	0	313.770	0.858	20	30		DCEDRM
CN1CCC(C#N)(NS(=O)(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC001260194166	947081756	/nfs/dbraw/zinc/08/17/56/947081756.db2.gz	HBPOLRGNIARJIB-UHFFFAOYSA-N	-1	0	323.374	0.651	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260397921	947097717	/nfs/dbraw/zinc/09/77/17/947097717.db2.gz	LXOODWFXROQRIQ-MRVPVSSYSA-N	-1	0	312.303	0.003	20	30		DCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC001260436084	947101808	/nfs/dbraw/zinc/10/18/08/947101808.db2.gz	LRLYKSFBEZQTBE-UHFFFAOYSA-N	-1	0	316.302	0.994	20	30		DCEDRM
C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602710239	971350179	/nfs/dbraw/zinc/35/01/79/971350179.db2.gz	RXYZJMSOTVFEQT-NEPJUHHUSA-N	-1	0	322.365	0.853	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)C(=O)OCC	ZINC001602718724	971375887	/nfs/dbraw/zinc/37/58/87/971375887.db2.gz	UKKVLMNHWVOUHR-SRVKXCTJSA-N	-1	0	313.350	0.880	20	30		DCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC001602729695	971400316	/nfs/dbraw/zinc/40/03/16/971400316.db2.gz	BEIAAJNNEQPXAT-WOPDTQHZSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C=CCn1c(Cc2nccn2C)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602729778	971401734	/nfs/dbraw/zinc/40/17/34/971401734.db2.gz	GDJGVTWYUOTOCG-NSHDSACASA-N	-1	0	316.365	0.699	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@](F)(C#N)C1	ZINC001263330351	947832487	/nfs/dbraw/zinc/83/24/87/947832487.db2.gz	IVMVIQFDYZNIHU-AWEZNQCLSA-N	-1	0	317.328	0.520	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001487979215	948400851	/nfs/dbraw/zinc/40/08/51/948400851.db2.gz	VGCBDKCNNZAULY-WDEREUQCSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H]1C	ZINC001488129563	948560186	/nfs/dbraw/zinc/56/01/86/948560186.db2.gz	MXQQQAJDNYMBIL-RYUDHWBXSA-N	-1	0	318.377	0.946	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001570920039	948595318	/nfs/dbraw/zinc/59/53/18/948595318.db2.gz	GCZZRKTXIKTURW-SFYZADRCSA-N	-1	0	314.309	0.282	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC([C@@H]2COC(=O)N2)CC1	ZINC001602778065	971509991	/nfs/dbraw/zinc/50/99/91/971509991.db2.gz	AKSRFOMGXYOXLY-HZMBPMFUSA-N	-1	0	309.322	0.338	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCCCS(C)(=O)=O	ZINC001602781232	971522529	/nfs/dbraw/zinc/52/25/29/971522529.db2.gz	TZHCFSIFNJMLDJ-LBPRGKRZSA-N	-1	0	304.368	0.322	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1nnn(CC(F)(F)F)n1	ZINC001602781935	971527703	/nfs/dbraw/zinc/52/77/03/971527703.db2.gz	KYFYDXSTLCXQJO-VIFPVBQESA-N	-1	0	321.215	0.283	20	30		DCEDRM
C[C@@](C#N)(NC(=O)c1cn(CC(=O)[O-])nn1)C1CCCCC1	ZINC001602786008	971530200	/nfs/dbraw/zinc/53/02/00/971530200.db2.gz	AWBWQRBFTIWDFN-AWEZNQCLSA-N	-1	0	305.338	0.955	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@](C)(O)c2ccsc2)c(C#N)c1=O	ZINC001364532815	949506885	/nfs/dbraw/zinc/50/68/85/949506885.db2.gz	MAFJSNIGJJYOPA-CYBMUJFWSA-N	-1	0	306.347	0.326	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)[O-])cn1	ZINC000228697323	949635033	/nfs/dbraw/zinc/63/50/33/949635033.db2.gz	BYSQDYZROYCUTH-NSHDSACASA-N	-1	0	309.347	0.971	20	30		DCEDRM
N#CCSCC(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001265576523	949779552	/nfs/dbraw/zinc/77/95/52/949779552.db2.gz	VJAJVPMWJMGWPH-SNVBAGLBSA-N	-1	0	324.410	0.095	20	30		DCEDRM
C[C@H]1CC[C@@H](CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001365148135	950608727	/nfs/dbraw/zinc/60/87/27/950608727.db2.gz	JDDVRVYNXVYWIE-WDEREUQCSA-N	-1	0	319.365	0.556	20	30		DCEDRM
CC(C)Cc1coc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001365153906	950621524	/nfs/dbraw/zinc/62/15/24/950621524.db2.gz	VAZASQMTLNZATJ-UHFFFAOYSA-N	-1	0	317.305	0.646	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)C1	ZINC001365281373	950873060	/nfs/dbraw/zinc/87/30/60/950873060.db2.gz	HEELZNYJLHKMBB-QMTHXVAHSA-N	-1	0	320.328	0.408	20	30		DCEDRM
C=CCn1cnc2nc([N-]S(=O)(=O)C(F)(F)F)[nH]c(=O)c21	ZINC001252406606	951116687	/nfs/dbraw/zinc/11/66/87/951116687.db2.gz	JQBOBYPTOZDFQU-UHFFFAOYSA-N	-1	0	323.256	0.979	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)C[C@@H](C)NCC#N)cc1=O	ZINC001331507184	951147128	/nfs/dbraw/zinc/14/71/28/951147128.db2.gz	OPUZNEYNDRKSFD-GFCCVEGCSA-N	-1	0	307.398	0.335	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)C2)c(=O)[n-]c1=O	ZINC001365583513	951293752	/nfs/dbraw/zinc/29/37/52/951293752.db2.gz	OKJQSKMIHJBKIB-ZSBIGDGJSA-N	-1	0	315.333	0.185	20	30		DCEDRM
C#CCCCC(=O)N1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@@H]1C	ZINC001281162391	951342102	/nfs/dbraw/zinc/34/21/02/951342102.db2.gz	AIKJODXDWOJONI-CMPLNLGQSA-N	-1	0	318.377	0.946	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)[O-]	ZINC001332507508	951672882	/nfs/dbraw/zinc/67/28/82/951672882.db2.gz	QJISRRSUHRCKBM-BDAKNGLRSA-N	-1	0	310.272	0.395	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1CCC(S(C)(=O)=O)CC1	ZINC001332593088	951712041	/nfs/dbraw/zinc/71/20/41/951712041.db2.gz	OEUXQALMQPKKQY-UHFFFAOYSA-N	-1	0	321.420	0.059	20	30		DCEDRM
CN(C)C(=O)[C@@H]1CC12CN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001274661046	951775370	/nfs/dbraw/zinc/77/53/70/951775370.db2.gz	FALBIZZPFPUCOA-ZDUSSCGKSA-N	-1	0	301.366	0.973	20	30		DCEDRM
C#Cc1cccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001299356822	951786811	/nfs/dbraw/zinc/78/68/11/951786811.db2.gz	XXCNAZMPZSQZNL-UHFFFAOYSA-N	-1	0	308.297	0.118	20	30		DCEDRM
C=CCN(CCc1ccccc1)C(=O)C(=O)NCC(=O)[N-]OC	ZINC001333297262	951994645	/nfs/dbraw/zinc/99/46/45/951994645.db2.gz	RQSQLIKKTNCDBG-UHFFFAOYSA-N	-1	0	319.361	0.038	20	30		DCEDRM
COC(=O)[C@H]1CCN1C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001411561160	952271771	/nfs/dbraw/zinc/27/17/71/952271771.db2.gz	MRQHUMDEFTWQCG-SECBINFHSA-N	-1	0	307.331	0.768	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1	ZINC001411854453	952485548	/nfs/dbraw/zinc/48/55/48/952485548.db2.gz	YGPAQZGMQBMJCO-XXILOJSOSA-N	-1	0	314.345	0.706	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@H]([C@H]2CCCO2)C1	ZINC001411900415	952528652	/nfs/dbraw/zinc/52/86/52/952528652.db2.gz	LBSFBHPOERLDEZ-OLZOCXBDSA-N	-1	0	317.345	0.987	20	30		DCEDRM
C[C@@H]1CC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@@H]1C	ZINC001412005043	952594704	/nfs/dbraw/zinc/59/47/04/952594704.db2.gz	NUVLWAYERFCVCK-JFGNBEQYSA-N	-1	0	304.350	0.761	20	30		DCEDRM
Cc1c(C(=O)N2CCc3nc[nH]c(=O)c3C2)cnn1CCC#N	ZINC001412035390	952610820	/nfs/dbraw/zinc/61/08/20/952610820.db2.gz	UQCLKJCEPVNATK-UHFFFAOYSA-N	-1	0	312.333	0.799	20	30		DCEDRM
C[C@@H]1CCC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001412033752	952612320	/nfs/dbraw/zinc/61/23/20/952612320.db2.gz	WZRHOQYOTSFDOG-ZYHUDNBSSA-N	-1	0	304.350	0.906	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cnn(C)c1Br)C(=O)[O-]	ZINC000383270561	971859685	/nfs/dbraw/zinc/85/96/85/971859685.db2.gz	HGGCGZBHTXXHRR-ZETCQYMHSA-N	-1	0	300.112	0.389	20	30		DCEDRM
C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)CS2	ZINC001412294195	952736816	/nfs/dbraw/zinc/73/68/16/952736816.db2.gz	UBAPENWVCKWPGW-ZANVPECISA-N	-1	0	316.346	0.546	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC(C)(C)C2=CCOCC2)c(C#N)c1=O	ZINC001336886124	952779777	/nfs/dbraw/zinc/77/97/77/952779777.db2.gz	KWBDNXWKBDVXRM-UHFFFAOYSA-N	-1	0	304.350	0.730	20	30		DCEDRM
Cc1ncc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001412480385	952833525	/nfs/dbraw/zinc/83/35/25/952833525.db2.gz	MOUXXPVHNCRFNW-UHFFFAOYSA-N	-1	0	319.346	0.292	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCOc2cccc(F)c2)c(C#N)c1=O	ZINC001338116599	952966352	/nfs/dbraw/zinc/96/63/52/952966352.db2.gz	RTPXEBKBELICAA-UHFFFAOYSA-N	-1	0	318.308	0.965	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CCC[C@H](COC)C1	ZINC001339212094	953080643	/nfs/dbraw/zinc/08/06/43/953080643.db2.gz	SFAZLVPMMQEIFG-JTQLQIEISA-N	-1	0	304.358	0.507	20	30		DCEDRM
C[C@@H](C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)[C@@H]1CCCO1	ZINC001412791631	953094762	/nfs/dbraw/zinc/09/47/62/953094762.db2.gz	CCYNONPSUYDXJT-SKDRFNHKSA-N	-1	0	318.333	0.019	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC=C(CNC(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC001339591622	953105119	/nfs/dbraw/zinc/10/51/19/953105119.db2.gz	YTYMOJAAUWOJGM-SECBINFHSA-N	-1	0	317.349	0.472	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C[C@@H]1CCCCO1	ZINC001339709056	953114602	/nfs/dbraw/zinc/11/46/02/953114602.db2.gz	DDFSFHMCFYAYGR-NSHDSACASA-N	-1	0	318.381	0.693	20	30		DCEDRM
C=CC[C@@H](NC(=O)CN1c2ccccc2O[C@@H](C)C1=O)C(=O)[O-]	ZINC001339865057	953125711	/nfs/dbraw/zinc/12/57/11/953125711.db2.gz	LIRNDXICDVPVER-WDEREUQCSA-N	-1	0	318.329	0.946	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCOCC2(CC2)C1	ZINC001340561676	953178104	/nfs/dbraw/zinc/17/81/04/953178104.db2.gz	QMYAAICBHZZGBZ-UHFFFAOYSA-N	-1	0	316.365	0.305	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cn(Cc2ccccn2)nn1	ZINC001341784483	953250403	/nfs/dbraw/zinc/25/04/03/953250403.db2.gz	FEYRPATUIZWNDW-LBPRGKRZSA-N	-1	0	310.317	0.322	20	30		DCEDRM
COC(=O)c1cnc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1	ZINC001342582559	953296783	/nfs/dbraw/zinc/29/67/83/953296783.db2.gz	CPJNBXKTPVWSNU-VIFPVBQESA-N	-1	0	302.290	0.208	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001281931945	953420001	/nfs/dbraw/zinc/42/00/01/953420001.db2.gz	GOLJEXNITHWSDI-GFCCVEGCSA-N	-1	0	305.382	0.737	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC001347121573	954025144	/nfs/dbraw/zinc/02/51/44/954025144.db2.gz	CXWXZZPDCWCHFZ-QMMMGPOBSA-N	-1	0	302.250	0.117	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC001347567552	954121873	/nfs/dbraw/zinc/12/18/73/954121873.db2.gz	NJNVZWBWVRZLJH-AVGNSLFASA-N	-1	0	312.366	0.168	20	30		DCEDRM
C=C(C)CCC(=O)NCCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001283561068	954449758	/nfs/dbraw/zinc/44/97/58/954449758.db2.gz	CHHYVGXPUDLKGQ-UHFFFAOYSA-N	-1	0	323.353	0.217	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1	ZINC001350321496	955054845	/nfs/dbraw/zinc/05/48/45/955054845.db2.gz	JOSLNGQCZSFBKV-UHFFFAOYSA-N	-1	0	314.407	0.637	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001593835552	955177944	/nfs/dbraw/zinc/17/79/44/955177944.db2.gz	BBUPBXZJQOTDBF-GHMZBOCLSA-N	-1	0	312.322	0.172	20	30		DCEDRM
Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3cncc(C#N)n3)C2)cn1	ZINC001594539784	955624944	/nfs/dbraw/zinc/62/49/44/955624944.db2.gz	ZDMZGMHAWPUMBN-QWRGUYRKSA-N	-1	0	312.333	0.776	20	30		DCEDRM
Cn1cc(N2CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C2)cn1	ZINC001594545757	955682261	/nfs/dbraw/zinc/68/22/61/955682261.db2.gz	HPJZAVHXDLCIQP-HZMBPMFUSA-N	-1	0	305.338	0.120	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1	ZINC001593904918	955901616	/nfs/dbraw/zinc/90/16/16/955901616.db2.gz	LGIDACNLIKLNQB-KGLIPLIRSA-N	-1	0	317.345	0.695	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001285851783	956013475	/nfs/dbraw/zinc/01/34/75/956013475.db2.gz	PIYJGDCUDMBPAK-BONVTDFDSA-N	-1	0	322.365	0.082	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)Nc1cc(CC#N)ccn1)C(=O)[O-]	ZINC001594587968	956017119	/nfs/dbraw/zinc/01/71/19/956017119.db2.gz	AFPWAOYEBSGVIR-LBPRGKRZSA-N	-1	0	314.305	0.829	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1	ZINC001594601739	956138493	/nfs/dbraw/zinc/13/84/93/956138493.db2.gz	GILZRJCCFWABPZ-FDZGAKKTSA-N	-1	0	311.313	0.210	20	30		DCEDRM
N#CC1CCN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC1	ZINC001594605436	956166854	/nfs/dbraw/zinc/16/68/54/956166854.db2.gz	DAUITSHOEIEVOX-ZDUSSCGKSA-N	-1	0	321.377	0.852	20	30		DCEDRM
N#CCc1cccc2c1CCN(CCS(=O)(=O)CC(=O)[O-])C2	ZINC001594611246	956212827	/nfs/dbraw/zinc/21/28/27/956212827.db2.gz	PLKFUAZVFJGUOY-UHFFFAOYSA-N	-1	0	322.386	0.610	20	30		DCEDRM
N#Cc1c(N)sc2c1CCN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)C2	ZINC001594614321	956230802	/nfs/dbraw/zinc/23/08/02/956230802.db2.gz	RACZKBBIVVBKFS-VIFPVBQESA-N	-1	0	320.330	0.316	20	30		DCEDRM
N#Cc1cc(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cs1	ZINC001594616635	956242718	/nfs/dbraw/zinc/24/27/18/956242718.db2.gz	PEKCKQGDJYLMQM-DTORHVGOSA-N	-1	0	300.361	0.902	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cs1	ZINC001594617051	956245123	/nfs/dbraw/zinc/24/51/23/956245123.db2.gz	WNDQPYJKYXUZSO-NSHDSACASA-N	-1	0	321.358	0.815	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001354040313	956258185	/nfs/dbraw/zinc/25/81/85/956258185.db2.gz	BQUSDCOJIDDACX-YPMHNXCESA-N	-1	0	321.381	0.717	20	30		DCEDRM
C[C@H]1SCC[C@@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413887029	956259639	/nfs/dbraw/zinc/25/96/39/956259639.db2.gz	VUHGEYXYHUFIKR-SCZZXKLOSA-N	-1	0	323.378	0.014	20	30		DCEDRM
N#Cc1ccnc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1	ZINC001594631672	956344195	/nfs/dbraw/zinc/34/41/95/956344195.db2.gz	KWAUEFQKWYHNMV-LLVKDONJSA-N	-1	0	316.317	0.149	20	30		DCEDRM
N#Cc1ccccc1OCCN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001594632356	956352681	/nfs/dbraw/zinc/35/26/81/956352681.db2.gz	WQSYDCOCLVUNGG-LBPRGKRZSA-N	-1	0	324.358	0.121	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(Cc2cc(F)cc(F)c2)c1=O	ZINC001594633096	956356481	/nfs/dbraw/zinc/35/64/81/956356481.db2.gz	NHIGTZGLCOYTSE-UHFFFAOYSA-N	-1	0	321.239	0.293	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(Cc2ncccc2Cl)c1=O	ZINC001594633519	956359099	/nfs/dbraw/zinc/35/90/99/956359099.db2.gz	UNFBRWMJPKIVJS-UHFFFAOYSA-N	-1	0	320.692	0.063	20	30		DCEDRM
COCC#CCN1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001593950543	956377588	/nfs/dbraw/zinc/37/75/88/956377588.db2.gz	BQULYWPPMPGJET-NXEZZACHSA-N	-1	0	322.283	0.232	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1C(=O)[O-]	ZINC001603118789	972198586	/nfs/dbraw/zinc/19/85/86/972198586.db2.gz	KEMDAGCVCSZQQZ-SNVBAGLBSA-N	-1	0	311.363	0.953	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2cc(C#N)oc2C)CCO1	ZINC001593971243	956620080	/nfs/dbraw/zinc/62/00/80/956620080.db2.gz	BJGVWXHWHBFCSG-AWEZNQCLSA-N	-1	0	308.290	0.402	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)C[C@H](C)C1CC1)C(=O)OC	ZINC001463597063	1013148216	/nfs/dbraw/zinc/14/82/16/1013148216.db2.gz	GDOPZILIWZEHKR-JQWIXIFHSA-N	-1	0	305.396	0.696	20	30		DCEDRM
C=CCO[C@H](C)C(=O)NC[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001357018771	957180739	/nfs/dbraw/zinc/18/07/39/957180739.db2.gz	VPRLKGLKRZVMBP-MWLCHTKSSA-N	-1	0	324.381	0.497	20	30		DCEDRM
CC(C)(C#N)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001327444561	957340648	/nfs/dbraw/zinc/34/06/48/957340648.db2.gz	KJKUJNMZYLMAFI-UHFFFAOYSA-N	-1	0	321.337	0.307	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCNC(=O)C(C)(C)C	ZINC001294156969	957487082	/nfs/dbraw/zinc/48/70/82/957487082.db2.gz	MTLCRTWKYQIBIZ-UHFFFAOYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
C[C@@H](Sc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC(C)(C)C	ZINC001413885689	957688812	/nfs/dbraw/zinc/68/88/12/957688812.db2.gz	JNAKJUXUSSSILO-SSDOTTSWSA-N	-1	0	311.363	0.768	20	30		DCEDRM
COCCn1c([C@H]2C[C@@H]2C#N)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001594024872	957700553	/nfs/dbraw/zinc/70/05/53/957700553.db2.gz	YXKBDJMPLFGRDY-UTUOFQBUSA-N	-1	0	319.365	0.853	20	30		DCEDRM
C[C@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC(C)(C)C	ZINC001413894401	957829318	/nfs/dbraw/zinc/82/93/18/957829318.db2.gz	OYWWNOREWFPJQH-MRVPVSSYSA-N	-1	0	308.338	0.335	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588389411	958009326	/nfs/dbraw/zinc/00/93/26/958009326.db2.gz	UVIJQYJLNLPRFH-BWAOXVRWSA-N	-1	0	324.377	0.736	20	30		DCEDRM
C#CCCN(CC(F)(F)F)C(=O)c1cn(CC(=O)[O-])nn1	ZINC001588390893	958017839	/nfs/dbraw/zinc/01/78/39/958017839.db2.gz	QYJNONOXMDFXLN-UHFFFAOYSA-N	-1	0	304.228	0.391	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(C)c(OC)c1C	ZINC001588395238	958039914	/nfs/dbraw/zinc/03/99/14/958039914.db2.gz	KUZDHEQKJNRQEY-UHFFFAOYSA-N	-1	0	318.329	0.797	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2nc(C)cn2c1	ZINC001588395960	958044322	/nfs/dbraw/zinc/04/43/22/958044322.db2.gz	RXZYXNZFJSCCSI-UHFFFAOYSA-N	-1	0	314.301	0.128	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])n(CCC#N)n1	ZINC001594313898	958052560	/nfs/dbraw/zinc/05/25/60/958052560.db2.gz	ULYYEVGYLSIQLI-QMMMGPOBSA-N	-1	0	307.310	0.023	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1nc2c(s1)CCC2	ZINC001588397585	958060724	/nfs/dbraw/zinc/06/07/24/958060724.db2.gz	MSFWQQYBUALHBL-UHFFFAOYSA-N	-1	0	307.331	0.117	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC001588397808	958063196	/nfs/dbraw/zinc/06/31/96/958063196.db2.gz	VMYCZCYPYKLYSY-UTUOFQBUSA-N	-1	0	320.345	0.097	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cn1ncc(Br)c1C	ZINC001588407823	958103319	/nfs/dbraw/zinc/10/33/19/958103319.db2.gz	WKCCZCHLDYDRDV-UHFFFAOYSA-N	-1	0	314.139	0.500	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1n1cccn1	ZINC001588410704	958142872	/nfs/dbraw/zinc/14/28/72/958142872.db2.gz	YVYHQEKGJFQZLF-MBNYWOFBSA-N	-1	0	320.349	0.331	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@]1(C)CCS(=O)(=O)C1	ZINC001361620022	958142806	/nfs/dbraw/zinc/14/28/06/958142806.db2.gz	YGPYSDNYYXWYSK-ZDUSSCGKSA-N	-1	0	309.347	0.274	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(C)c(C(=O)OC)cn1	ZINC001588411274	958149150	/nfs/dbraw/zinc/14/91/50/958149150.db2.gz	UUTLZMIUBZXSEN-UHFFFAOYSA-N	-1	0	305.290	0.728	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccccc1S(C)(=O)=O	ZINC001588413225	958157634	/nfs/dbraw/zinc/15/76/34/958157634.db2.gz	VZYNRGWVCVKTMU-UHFFFAOYSA-N	-1	0	310.331	0.642	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C	ZINC001588417285	958169313	/nfs/dbraw/zinc/16/93/13/958169313.db2.gz	GLYWSEUVTSRZTM-UTUOFQBUSA-N	-1	0	322.361	0.931	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(-c2ccc(OC)cc2)nn1	ZINC001588419068	958190886	/nfs/dbraw/zinc/19/08/86/958190886.db2.gz	OWACWWFFMXPEKS-UHFFFAOYSA-N	-1	0	314.301	0.436	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)NC(=O)Nc1ccccc1	ZINC001588420108	958197874	/nfs/dbraw/zinc/19/78/74/958197874.db2.gz	MABMZXANVZOXII-NSHDSACASA-N	-1	0	303.318	0.743	20	30		DCEDRM
CC(=O)NCC1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001361679109	958208745	/nfs/dbraw/zinc/20/87/45/958208745.db2.gz	YSVRDWUXPDKYTJ-UHFFFAOYSA-N	-1	0	316.361	0.956	20	30		DCEDRM
C#CCN(CC(=O)[O-])Cc1nc2ncc(Br)cn2n1	ZINC001588425094	958223458	/nfs/dbraw/zinc/22/34/58/958223458.db2.gz	DPPDWCPDPSSTRU-UHFFFAOYSA-N	-1	0	324.138	0.407	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2noc(C)n2)n1CC(=C)C	ZINC001588426927	958236913	/nfs/dbraw/zinc/23/69/13/958236913.db2.gz	HEWIEBXVOVASSQ-UHFFFAOYSA-N	-1	0	316.321	0.737	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCC(=O)N[C@H]2C)n1CC	ZINC001588427014	958237865	/nfs/dbraw/zinc/23/78/65/958237865.db2.gz	JYSCMIIYPJVGSA-WDEREUQCSA-N	-1	0	319.365	0.204	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)c2ccc(OCC(=O)[O-])cc2)C1	ZINC001588430179	958252077	/nfs/dbraw/zinc/25/20/77/958252077.db2.gz	JCNZXILHPJGKBQ-CQSZACIVSA-N	-1	0	316.357	0.977	20	30		DCEDRM
Cc1ccc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n1C	ZINC001361726012	958258518	/nfs/dbraw/zinc/25/85/18/958258518.db2.gz	UJZJZKMOAYGCOR-UHFFFAOYSA-N	-1	0	315.333	0.174	20	30		DCEDRM
C#Cc1cncc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1	ZINC001588439190	958312431	/nfs/dbraw/zinc/31/24/31/958312431.db2.gz	IVEGTXIRXSEZAC-SNVBAGLBSA-N	-1	0	303.318	0.114	20	30		DCEDRM
Cc1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc1C#N	ZINC001594349949	958340357	/nfs/dbraw/zinc/34/03/57/958340357.db2.gz	OKJRCHDZPQYEES-UHFFFAOYSA-N	-1	0	314.301	0.942	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001588451086	958404281	/nfs/dbraw/zinc/40/42/81/958404281.db2.gz	LUFJLDAWYUUZCJ-HZMBPMFUSA-N	-1	0	301.339	0.738	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2C[C@H](C(=O)[O-])C[C@H](C)C2)n1CCOC	ZINC001588452977	958429769	/nfs/dbraw/zinc/42/97/69/958429769.db2.gz	SRHHEABVJFZOCI-TUAOUCFPSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=CCC[C@H](O)Cn1cc(CN2CCC(C(=O)[O-])CC2)nn1	ZINC001588457067	958443065	/nfs/dbraw/zinc/44/30/65/958443065.db2.gz	IGBOQPNHTYEJEU-AWEZNQCLSA-N	-1	0	308.382	0.902	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@H](NC(C)=O)C2)cc1C#N	ZINC001361888372	958450762	/nfs/dbraw/zinc/45/07/62/958450762.db2.gz	RGVGIOGGQHWCCU-JTQLQIEISA-N	-1	0	320.374	0.731	20	30		DCEDRM
C=CCN(CCC#N)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001588463498	958484929	/nfs/dbraw/zinc/48/49/29/958484929.db2.gz	UVXQVQNCWGAJTM-UHFFFAOYSA-N	-1	0	301.368	0.429	20	30		DCEDRM
C=CCn1c(-c2ncon2)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001588470223	958523946	/nfs/dbraw/zinc/52/39/46/958523946.db2.gz	HSPBKPXWYSRLMC-VIFPVBQESA-N	-1	0	304.310	0.815	20	30		DCEDRM
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588470341	958525338	/nfs/dbraw/zinc/52/53/38/958525338.db2.gz	JWYUUWIHFDDLTP-SNVBAGLBSA-N	-1	0	302.338	0.776	20	30		DCEDRM
CC1CCC(C)(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001361993623	958585143	/nfs/dbraw/zinc/58/51/43/958585143.db2.gz	ATWRZHIYSSSBDK-UHFFFAOYSA-N	-1	0	304.350	0.906	20	30		DCEDRM
CS[C@H]1CC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362006432	958595359	/nfs/dbraw/zinc/59/53/59/958595359.db2.gz	BXIUTUWFHIBXPQ-ZJUUUORDSA-N	-1	0	308.363	0.221	20	30		DCEDRM
CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]2C1	ZINC001588492834	958657070	/nfs/dbraw/zinc/65/70/70/958657070.db2.gz	PZFTUMJUKZDQSG-RSUWNVLCSA-N	-1	0	321.377	0.754	20	30		DCEDRM
C[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC(C)(C)O1	ZINC001362082014	958707868	/nfs/dbraw/zinc/70/78/68/958707868.db2.gz	DDEVQIQVNMCLII-JTQLQIEISA-N	-1	0	320.349	0.237	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1	ZINC001588536458	958935568	/nfs/dbraw/zinc/93/55/68/958935568.db2.gz	YDDOYRXQRQMADU-MEBBXXQBSA-N	-1	0	307.350	0.508	20	30		DCEDRM
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001588545438	958995984	/nfs/dbraw/zinc/99/59/84/958995984.db2.gz	UJUSWJFIZCUIKY-VIFPVBQESA-N	-1	0	315.289	0.906	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001491758192	959190714	/nfs/dbraw/zinc/19/07/14/959190714.db2.gz	UIXNOJDGXJTQOX-SECBINFHSA-N	-1	0	323.353	0.121	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H](C)C1	ZINC001362376437	959240883	/nfs/dbraw/zinc/24/08/83/959240883.db2.gz	QZQQGTULFIJMRS-ZYHUDNBSSA-N	-1	0	320.349	0.237	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC[C@@H]1C[C@@H](C)O	ZINC001362457483	959395166	/nfs/dbraw/zinc/39/51/66/959395166.db2.gz	IZAYFYSPENRQIV-PWSUYJOCSA-N	-1	0	305.334	0.579	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC=C(c3ccccc3)C2)c(=O)[n-]c1=O	ZINC001362544635	959563985	/nfs/dbraw/zinc/56/39/85/959563985.db2.gz	YGDNQWPCWRKNGJ-UHFFFAOYSA-N	-1	0	322.324	0.746	20	30		DCEDRM
CC[C@@H](C)[C@@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)OC	ZINC001362599015	959672546	/nfs/dbraw/zinc/67/25/46/959672546.db2.gz	KGLHVBNMOUJDBR-ZYHUDNBSSA-N	-1	0	322.365	0.388	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(=O)Nc1ccn(C)n1	ZINC001362601105	959676322	/nfs/dbraw/zinc/67/63/22/959676322.db2.gz	SDSYHUOEIHPCQS-UHFFFAOYSA-N	-1	0	314.305	0.069	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O	ZINC001362816942	960033694	/nfs/dbraw/zinc/03/36/94/960033694.db2.gz	LFHHGDBSPANEEW-NWDGAFQWSA-N	-1	0	314.345	0.851	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC001604083248	972478298	/nfs/dbraw/zinc/47/82/98/972478298.db2.gz	HFTCDWUEUINISP-CYBMUJFWSA-N	-1	0	303.318	0.550	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21	ZINC001362878948	960123710	/nfs/dbraw/zinc/12/37/10/960123710.db2.gz	CQKAFEGGHSDRAQ-VXGBXAGGSA-N	-1	0	317.345	0.986	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2noc(-c3ccsc3)n2)c1=O	ZINC001307359876	960149125	/nfs/dbraw/zinc/14/91/25/960149125.db2.gz	XEORMODKFAREII-UHFFFAOYSA-N	-1	0	301.287	0.568	20	30		DCEDRM
C#C[C@H](NC(=O)Nc1n[nH]nc1C(=O)NC1CC1)C(C)(C)C	ZINC001311310638	960246551	/nfs/dbraw/zinc/24/65/51/960246551.db2.gz	ARUTXNGYNYOTID-VIFPVBQESA-N	-1	0	304.354	0.866	20	30		DCEDRM
C=CCN(CCOC)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000234698753	960362026	/nfs/dbraw/zinc/36/20/26/960362026.db2.gz	BIPKCQWEZSWJQT-UHFFFAOYSA-N	-1	0	306.384	0.162	20	30		DCEDRM
N#Cc1sc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)nc1Cl	ZINC001574249053	960500693	/nfs/dbraw/zinc/50/06/93/960500693.db2.gz	QHLNDNXJMMINEX-RXMQYKEDSA-N	-1	0	316.726	0.985	20	30		DCEDRM
N#CC[C@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)C(F)(F)F	ZINC001571084554	961033252	/nfs/dbraw/zinc/03/32/52/961033252.db2.gz	LCANXRLMWGHTHG-LURJTMIESA-N	-1	0	305.216	0.934	20	30		DCEDRM
N#CCOc1ccccc1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001571085464	961052092	/nfs/dbraw/zinc/05/20/92/961052092.db2.gz	PNWFBOJBNPRZJY-ZWNOBZJWSA-N	-1	0	304.302	0.808	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCNC(=O)CC2)cc1C#N	ZINC001363399714	961076123	/nfs/dbraw/zinc/07/61/23/961076123.db2.gz	OADCJBQQEXINQQ-VIFPVBQESA-N	-1	0	320.374	0.779	20	30		DCEDRM
CN(Cc1cc(C#N)cs1)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC001571087563	961083869	/nfs/dbraw/zinc/08/38/69/961083869.db2.gz	FDADNLAWIYPGJJ-UHFFFAOYSA-N	-1	0	305.319	0.568	20	30		DCEDRM
COC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1nnn[n-]1	ZINC001363437337	961151944	/nfs/dbraw/zinc/15/19/44/961151944.db2.gz	QOKSIUPZCXHAHL-XQQFMLRXSA-N	-1	0	312.333	0.679	20	30		DCEDRM
COC(=O)[C@@H]1CSCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363438701	961155242	/nfs/dbraw/zinc/15/52/42/961155242.db2.gz	MZSJDPCWLMVEFL-JTQLQIEISA-N	-1	0	321.358	0.698	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1	ZINC001571096252	961166614	/nfs/dbraw/zinc/16/66/14/961166614.db2.gz	JVQJVVZOQMJEFS-TVEHIPJCSA-N	-1	0	307.350	0.546	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)nc1	ZINC001571119190	961426989	/nfs/dbraw/zinc/42/69/89/961426989.db2.gz	XRQONUOYHVLKMG-UHFFFAOYSA-N	-1	0	313.317	0.582	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)NCC2(C(=O)[O-])CCOCC2)n1	ZINC001574450030	961472256	/nfs/dbraw/zinc/47/22/56/961472256.db2.gz	RTEARNRPSLMTJZ-UHFFFAOYSA-N	-1	0	307.310	0.295	20	30		DCEDRM
Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)NCCC#N)C2)cn1	ZINC001574453383	961484097	/nfs/dbraw/zinc/48/40/97/961484097.db2.gz	GMSOUWXYASWWIE-QWRGUYRKSA-N	-1	0	305.338	0.533	20	30		DCEDRM
CC(=O)Nc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001363737085	961789592	/nfs/dbraw/zinc/78/95/92/961789592.db2.gz	MZOFVCKWOIQDTO-UHFFFAOYSA-N	-1	0	313.317	0.516	20	30		DCEDRM
CN(C)c1cc(F)cc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001363743503	961795346	/nfs/dbraw/zinc/79/53/46/961795346.db2.gz	JOCLIYHHAIYJAV-UHFFFAOYSA-N	-1	0	303.297	0.894	20	30		DCEDRM
CCC(=O)N1CCC[C@@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001571154596	961846536	/nfs/dbraw/zinc/84/65/36/961846536.db2.gz	PQZRPMPLMRJABB-GFCCVEGCSA-N	-1	0	321.377	0.852	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]1C(=O)[O-]	ZINC001571163757	961956091	/nfs/dbraw/zinc/95/60/91/961956091.db2.gz	PZIQLINGTRBVEQ-SNVBAGLBSA-N	-1	0	324.314	0.192	20	30		DCEDRM
CC[C@](COC)(NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC001605048960	1169795165	/nfs/dbraw/zinc/79/51/65/1169795165.db2.gz	JWGRECSGHCZEQV-OAHLLOKOSA-N	-1	0	305.334	0.966	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1ncc(C#N)cc1C	ZINC001574056483	962190345	/nfs/dbraw/zinc/19/03/45/962190345.db2.gz	NVGKCYNMJVRDNA-UHFFFAOYSA-N	-1	0	305.290	0.352	20	30		DCEDRM
C=C(Br)CN1CC([C@H](C)NC(=O)CNC(=O)[O-])C1	ZINC001573313793	962736802	/nfs/dbraw/zinc/73/68/02/962736802.db2.gz	QWOMHHBMGRVKRD-QMMMGPOBSA-N	-1	0	320.187	0.599	20	30		DCEDRM
C=C(Br)CN1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573313924	962739683	/nfs/dbraw/zinc/73/96/83/962739683.db2.gz	UKFTZHHGPOCYCN-DTWKUNHWSA-N	-1	0	303.156	0.416	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@@H](C1CC1)N(C)C(=O)CNC(=O)[O-]	ZINC001573324188	962781155	/nfs/dbraw/zinc/78/11/55/962781155.db2.gz	OESBPWMOBRFLKS-LBPRGKRZSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=C(C)CN1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])nn2)C1	ZINC001573324635	962788269	/nfs/dbraw/zinc/78/82/69/962788269.db2.gz	WFPVVVSBWVTURJ-OLZOCXBDSA-N	-1	0	319.365	0.048	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-]	ZINC000274936592	962808596	/nfs/dbraw/zinc/80/85/96/962808596.db2.gz	DIZYGVANPUOYRQ-JTQLQIEISA-N	-1	0	312.303	0.658	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2ccc3c(c2)OC(F)(F)O3)c1=O	ZINC001364284060	962815692	/nfs/dbraw/zinc/81/56/92/962815692.db2.gz	HODWBCNREYGERR-UHFFFAOYSA-N	-1	0	307.212	0.778	20	30		DCEDRM
N#CC1(CNC(=O)NCc2nc3c(c(=O)[nH]2)COCC3)CCC1	ZINC001364307121	962868379	/nfs/dbraw/zinc/86/83/79/962868379.db2.gz	WYLRMAQICVJFLC-UHFFFAOYSA-N	-1	0	317.349	0.748	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)CNC(=O)[O-])C1	ZINC001573345553	962935285	/nfs/dbraw/zinc/93/52/85/962935285.db2.gz	VVNDPIQNKQSHJK-LLVKDONJSA-N	-1	0	311.382	0.916	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001573346528	962939267	/nfs/dbraw/zinc/93/92/67/962939267.db2.gz	BJYFLTAQMWYSIR-AOOOYVTPSA-N	-1	0	304.350	0.868	20	30		DCEDRM
C=C[C@H](C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)[O-]	ZINC001573348081	962953995	/nfs/dbraw/zinc/95/39/95/962953995.db2.gz	ROJBFOUCMYGBAQ-ZDEQEGDKSA-N	-1	0	323.393	0.914	20	30		DCEDRM
CN(C)C(=O)NCCN(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364357939	962954351	/nfs/dbraw/zinc/95/43/51/962954351.db2.gz	HEDOCKRKSHJJJG-UHFFFAOYSA-N	-1	0	317.353	0.010	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])C[C@H]1C	ZINC001573348301	962957636	/nfs/dbraw/zinc/95/76/36/962957636.db2.gz	UXXJZTXUQXAYSQ-HFAKWTLXSA-N	-1	0	311.382	0.819	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C(=O)[O-]	ZINC001573358367	963025671	/nfs/dbraw/zinc/02/56/71/963025671.db2.gz	YTJHQMJCWRBEQE-NXEZZACHSA-N	-1	0	308.338	0.472	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001573360284	963035233	/nfs/dbraw/zinc/03/52/33/963035233.db2.gz	LISHGENWJMDKJY-WDEREUQCSA-N	-1	0	301.339	0.690	20	30		DCEDRM
C=CCCn1cc(CN(CCN2CCOCC2)CC(=O)[O-])nn1	ZINC001573360409	963036600	/nfs/dbraw/zinc/03/66/00/963036600.db2.gz	NWODOJRERLAGPS-UHFFFAOYSA-N	-1	0	323.397	0.073	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc2[nH]c(CO)nc21)C(=O)[O-]	ZINC001573368417	963078795	/nfs/dbraw/zinc/07/87/95/963078795.db2.gz	DKUFPSUTKIRCQU-NSHDSACASA-N	-1	0	319.317	0.441	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001573369685	963100577	/nfs/dbraw/zinc/10/05/77/963100577.db2.gz	XGYRLVWEKMVTJO-NXEZZACHSA-N	-1	0	301.339	0.736	20	30		DCEDRM
CC(C)(C(=O)[O-])n1cc(NC(=O)[C@@]2(C#N)CCCOC2)cn1	ZINC001573407367	963149511	/nfs/dbraw/zinc/14/95/11/963149511.db2.gz	JPGHFNFANHGJLC-CQSZACIVSA-N	-1	0	306.322	0.962	20	30		DCEDRM
C#CCCCCNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588442932	964060324	/nfs/dbraw/zinc/06/03/24/964060324.db2.gz	ZQUCOIXTUHJCIQ-NSHDSACASA-N	-1	0	305.338	0.736	20	30		DCEDRM
C#CCCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C	ZINC001588446463	964073732	/nfs/dbraw/zinc/07/37/32/964073732.db2.gz	MQUXBHPNXMCTSX-UHFFFAOYSA-N	-1	0	317.345	0.919	20	30		DCEDRM
C#CCCCNC(=O)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588446753	964078978	/nfs/dbraw/zinc/07/89/78/964078978.db2.gz	YVZLRHCSGPWSEU-BWBHSNQOSA-N	-1	0	322.361	0.045	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CC(CNC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001369621596	965222603	/nfs/dbraw/zinc/22/26/03/965222603.db2.gz	QLBLJGHECOJRFV-WFRXLMHJSA-N	-1	0	305.338	0.208	20	30		DCEDRM
N#CCCN1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC000317437313	970359470	/nfs/dbraw/zinc/35/94/70/970359470.db2.gz	QMDHWNPBEYGIOR-UHFFFAOYSA-N	-1	0	323.374	0.605	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)Cc1cccc(F)c1	ZINC001609692931	970451705	/nfs/dbraw/zinc/45/17/05/970451705.db2.gz	FWXSEIHSTXZAOO-WFASDCNBSA-N	-1	0	308.309	0.850	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1ccc(O)c(O)c1	ZINC001609693150	970455292	/nfs/dbraw/zinc/45/52/92/970455292.db2.gz	XUXUUQABPQSQFM-CQSZACIVSA-N	-1	0	307.258	0.828	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC000393792687	972641925	/nfs/dbraw/zinc/64/19/25/972641925.db2.gz	FJQZNORBZOROGP-UHFFFAOYSA-N	-1	0	316.335	0.175	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])n(CCC#N)n1	ZINC001605194888	972922700	/nfs/dbraw/zinc/92/27/00/972922700.db2.gz	OWFHAJNEXWDOOC-JTQLQIEISA-N	-1	0	319.321	0.119	20	30		DCEDRM
C[C@@H]1CCN(C(=O)NC2CCN(CC#N)CC2)C[C@H]1C(=O)[O-]	ZINC001603417109	973125519	/nfs/dbraw/zinc/12/55/19/973125519.db2.gz	MGPVUZQBFADRLX-DGCLKSJQSA-N	-1	0	308.382	0.727	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC000401900384	973506152	/nfs/dbraw/zinc/50/61/52/973506152.db2.gz	PZJAKGGLVJTQDL-NWDGAFQWSA-N	-1	0	324.358	0.209	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC000401900386	973506211	/nfs/dbraw/zinc/50/62/11/973506211.db2.gz	PZJAKGGLVJTQDL-RYUDHWBXSA-N	-1	0	324.358	0.209	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2cc(C#N)cs2)CCO1	ZINC001604556296	973583359	/nfs/dbraw/zinc/58/33/59/973583359.db2.gz	CNWZMEQOZMXSEX-ZDUSSCGKSA-N	-1	0	310.331	0.562	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc(C#N)cs2)CCO1	ZINC001604556295	973584030	/nfs/dbraw/zinc/58/40/30/973584030.db2.gz	CNWZMEQOZMXSEX-CYBMUJFWSA-N	-1	0	310.331	0.562	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(c2cc(C#N)nc(C3CC3)n2)CCO1	ZINC001604564076	973620578	/nfs/dbraw/zinc/62/05/78/973620578.db2.gz	GIYUARTYEZCCNG-HNNXBMFYSA-N	-1	0	318.333	0.532	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(c2nc(C)cc(C)c2C#N)CCO1	ZINC001604565899	973635449	/nfs/dbraw/zinc/63/54/49/973635449.db2.gz	ZVRKGSVXNVSQOO-OAHLLOKOSA-N	-1	0	305.334	0.877	20	30		DCEDRM
N#C[C@@]1(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC12CCCC2	ZINC001605576815	973852576	/nfs/dbraw/zinc/85/25/76/973852576.db2.gz	UBDDGHZUKBIRRU-OAHLLOKOSA-N	-1	0	305.334	0.216	20	30		DCEDRM
N#Cc1cc(CNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)ccn1	ZINC001605591997	973891911	/nfs/dbraw/zinc/89/19/11/973891911.db2.gz	MPEQWUYTWFQRHP-YPMHNXCESA-N	-1	0	303.318	0.839	20	30		DCEDRM
N#Cc1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)nc1Cl	ZINC001605597279	973898103	/nfs/dbraw/zinc/89/81/03/973898103.db2.gz	LFWCJKXILGKIKL-UHFFFAOYSA-N	-1	0	309.709	0.970	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001592221379	977398721	/nfs/dbraw/zinc/39/87/21/977398721.db2.gz	DKAZROYMVPAVKA-AXFHLTTASA-N	-1	0	303.384	0.698	20	30		DCEDRM
C[C@](CC(=O)[O-])(NS(=O)(=O)CCCC#N)c1cccnc1	ZINC001592329793	977762230	/nfs/dbraw/zinc/76/22/30/977762230.db2.gz	MQWPHCVGFAOSOY-CYBMUJFWSA-N	-1	0	311.363	0.995	20	30		DCEDRM
C=CCO[N-]C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC001449655689	1014612522	/nfs/dbraw/zinc/61/25/22/1014612522.db2.gz	KMQIFIDFVDHBIF-UHFFFAOYSA-N	-1	0	308.294	0.628	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-])[C@@H]1CCCO1	ZINC001588370798	983322026	/nfs/dbraw/zinc/32/20/26/983322026.db2.gz	NKBUZTXXVKOIST-ONGXEEELSA-N	-1	0	319.317	0.257	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1)[C@H]1CCCO1	ZINC001588370838	983322836	/nfs/dbraw/zinc/32/28/36/983322836.db2.gz	OLDHWNASESKJIN-IFWUJCSASA-N	-1	0	322.361	0.043	20	30		DCEDRM
C#C[C@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1ccc(Cl)cc1	ZINC001588372034	983327435	/nfs/dbraw/zinc/32/74/35/983327435.db2.gz	BTTUDFOAFVKZDG-NSHDSACASA-N	-1	0	308.721	0.855	20	30		DCEDRM
C#C[C@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)C1CCOCC1	ZINC001588374440	983344074	/nfs/dbraw/zinc/34/40/74/983344074.db2.gz	XHOAAPXCEDXFIV-NSHDSACASA-N	-1	0	306.322	0.668	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])[C@@H]1CCCO1	ZINC001588378108	983360921	/nfs/dbraw/zinc/36/09/21/983360921.db2.gz	UVHMMYIQUVZDHE-NEPJUHHUSA-N	-1	0	303.380	0.732	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588382282	983369752	/nfs/dbraw/zinc/36/97/52/983369752.db2.gz	LNQYDDDMRILHSE-UPJWGTAASA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588393473	983398064	/nfs/dbraw/zinc/39/80/64/983398064.db2.gz	GGKWXLZNAZPNLE-XHDPSFHLSA-N	-1	0	323.349	0.430	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(C)(C)NC(=O)COC(C)(C)C)C(=O)[O-]	ZINC001588396024	983407301	/nfs/dbraw/zinc/40/73/01/983407301.db2.gz	WEHQILSAGKWYIQ-SNVBAGLBSA-N	-1	0	312.366	0.289	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC001588396808	983409288	/nfs/dbraw/zinc/40/92/88/983409288.db2.gz	ZGDLJWJQJTZPDP-OLZOCXBDSA-N	-1	0	324.377	0.244	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1)C(=O)[O-]	ZINC001588399049	983414851	/nfs/dbraw/zinc/41/48/51/983414851.db2.gz	PZRKVDIMAGLIJX-MFKMUULPSA-N	-1	0	318.304	0.771	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(c2cccc(OC)c2)=NO1)C(=O)[O-]	ZINC001588405716	983422490	/nfs/dbraw/zinc/42/24/90/983422490.db2.gz	IKHRNSXZYCQYMN-OCCSQVGLSA-N	-1	0	316.313	0.781	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@H](n1cccn1)C(F)(F)F)C(=O)[O-]	ZINC001588406932	983426675	/nfs/dbraw/zinc/42/66/75/983426675.db2.gz	UFTSPIRVNOTINP-BDAKNGLRSA-N	-1	0	303.240	0.969	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cncc(N2CCCC2=O)c1)C(=O)[O-]	ZINC001588417039	983438298	/nfs/dbraw/zinc/43/82/98/983438298.db2.gz	VPHVPJPZKSROJN-LBPRGKRZSA-N	-1	0	301.302	0.415	20	30		DCEDRM
C#CCC1(O)CCN(C(=O)CCc2ocnc2C(=O)[O-])CC1	ZINC001588430715	983463932	/nfs/dbraw/zinc/46/39/32/983463932.db2.gz	CCUVDOXNQPRSJV-UHFFFAOYSA-N	-1	0	306.318	0.682	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC001588461450	983490019	/nfs/dbraw/zinc/49/00/19/983490019.db2.gz	PYCNVGGSJMJQCF-LLVKDONJSA-N	-1	0	302.330	0.980	20	30		DCEDRM
C#CCN(CC#N)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC001588464801	983494601	/nfs/dbraw/zinc/49/46/01/983494601.db2.gz	MDVGNIJIDZWPNI-OAHLLOKOSA-N	-1	0	311.341	0.483	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1	ZINC001588475982	983510331	/nfs/dbraw/zinc/51/03/31/983510331.db2.gz	KGQDBRUIGJPLRI-MELADBBJSA-N	-1	0	308.378	0.470	20	30		DCEDRM
C#CCNC(=O)[C@H](C)N1CCOc2c(cccc2C(=O)[O-])C1	ZINC001588479178	983517925	/nfs/dbraw/zinc/51/79/25/983517925.db2.gz	BALSIUTXBDOENQ-NSHDSACASA-N	-1	0	302.330	0.717	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@H](CC)Nc1ncc(C(=O)[O-])cn1	ZINC001588489936	983530055	/nfs/dbraw/zinc/53/00/55/983530055.db2.gz	DZBVFBHXRSZIPH-JQWIXIFHSA-N	-1	0	320.349	0.520	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NCCCNc1ncc(C(=O)[O-])cn1	ZINC001588490046	983530410	/nfs/dbraw/zinc/53/04/10/983530410.db2.gz	GGFIJDIYWPRUEF-JTQLQIEISA-N	-1	0	306.322	0.131	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1	ZINC001588497521	983539499	/nfs/dbraw/zinc/53/94/99/983539499.db2.gz	LBRMBEMHEUITEK-KGLIPLIRSA-N	-1	0	303.314	0.947	20	30		DCEDRM
C#Cc1ccc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1	ZINC001588517439	983564928	/nfs/dbraw/zinc/56/49/28/983564928.db2.gz	RVEQGMMDUYZPGY-UHFFFAOYSA-N	-1	0	319.342	0.428	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1	ZINC001588517740	983566506	/nfs/dbraw/zinc/56/65/06/983566506.db2.gz	GXEJVNVSRSHGDV-ZDUSSCGKSA-N	-1	0	311.384	0.907	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CCCn1ccc(C(=O)OC)n1)C(=O)[O-]	ZINC001588540759	983604924	/nfs/dbraw/zinc/60/49/24/983604924.db2.gz	MMBPKHWYHQWLCQ-GFCCVEGCSA-N	-1	0	323.349	0.986	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001596229836	983622767	/nfs/dbraw/zinc/62/27/67/983622767.db2.gz	KVWIOTLTVVSZJE-MRVPVSSYSA-N	-1	0	307.310	0.065	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC001596231156	983625889	/nfs/dbraw/zinc/62/58/89/983625889.db2.gz	HOIOBLTUQSQTQD-TUAOUCFPSA-N	-1	0	317.411	0.755	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-]	ZINC001588555735	983636973	/nfs/dbraw/zinc/63/69/73/983636973.db2.gz	QGDDLNTYMXIADE-QMMMGPOBSA-N	-1	0	307.759	0.771	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-]	ZINC001588555744	983637004	/nfs/dbraw/zinc/63/70/04/983637004.db2.gz	QJFGSNUGNPWYDC-SECBINFHSA-N	-1	0	316.335	0.499	20	30		DCEDRM
C=C(C)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC001588584731	983662019	/nfs/dbraw/zinc/66/20/19/983662019.db2.gz	DWIACHHRRUNUEN-UHFFFAOYSA-N	-1	0	320.301	0.802	20	30		DCEDRM
C=C(C)CNC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001588585692	983664034	/nfs/dbraw/zinc/66/40/34/983664034.db2.gz	UOQNRHCSBMBLCE-UHFFFAOYSA-N	-1	0	306.274	0.744	20	30		DCEDRM
C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588591330	983672450	/nfs/dbraw/zinc/67/24/50/983672450.db2.gz	HUUZJOISDXPWMG-WDEREUQCSA-N	-1	0	319.365	0.369	20	30		DCEDRM
CCN(CCC#N)C(=O)CN(C)[C@H](COC1CCC1)C(=O)[O-]	ZINC001596299524	983724649	/nfs/dbraw/zinc/72/46/49/983724649.db2.gz	MOJVJUUGBIUDPM-CYBMUJFWSA-N	-1	0	311.382	0.703	20	30		DCEDRM
CCN(CCCNC(=O)C#CC1CC1)c1ncc(C(=O)[O-])cn1	ZINC001596326315	983759424	/nfs/dbraw/zinc/75/94/24/983759424.db2.gz	CWLMUMXPTBLYOY-UHFFFAOYSA-N	-1	0	316.361	0.921	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588643366	983766261	/nfs/dbraw/zinc/76/62/61/983766261.db2.gz	GZMPDLHQLILVAP-VXGBXAGGSA-N	-1	0	308.378	0.980	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ncc(C#N)cc1F	ZINC001596332367	983770063	/nfs/dbraw/zinc/77/00/63/983770063.db2.gz	HVCWTQPNJRGCCZ-WDEREUQCSA-N	-1	0	320.324	0.756	20	30		DCEDRM
C=C[C@H](C)ONC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001588687383	983870201	/nfs/dbraw/zinc/87/02/01/983870201.db2.gz	NTLSEWGIBNBSQM-FZMZJTMJSA-N	-1	0	313.354	0.063	20	30		DCEDRM
CCN([C@H](C)CO)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001596384255	983910148	/nfs/dbraw/zinc/91/01/48/983910148.db2.gz	OWSUANFUGMMXTG-SECBINFHSA-N	-1	0	312.347	0.648	20	30		DCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588719867	983963494	/nfs/dbraw/zinc/96/34/94/983963494.db2.gz	ZVPKNESOPUCJHM-OLZOCXBDSA-N	-1	0	324.377	0.238	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F	ZINC001588744425	984042590	/nfs/dbraw/zinc/04/25/90/984042590.db2.gz	KYXRFRXPRYFIDU-MRVPVSSYSA-N	-1	0	321.301	0.878	20	30		DCEDRM
C=CC[C@H](OC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)[O-]	ZINC001588753991	984090538	/nfs/dbraw/zinc/09/05/38/984090538.db2.gz	QVNPRPLREBOYDA-MXWKQRLJSA-N	-1	0	309.318	0.734	20	30		DCEDRM
C=CCC1(NC(=O)Cn2cccc(C(=O)[O-])c2=O)CCOCC1	ZINC001588767193	984128765	/nfs/dbraw/zinc/12/87/65/984128765.db2.gz	OGTGVTVYGGIQFA-UHFFFAOYSA-N	-1	0	320.345	0.788	20	30		DCEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001588770993	984136918	/nfs/dbraw/zinc/13/69/18/984136918.db2.gz	KZOSOEGSNVPZNK-DCAQKATOSA-N	-1	0	300.330	0.776	20	30		DCEDRM
C=CC[C@H]1NC(=O)N([C@H]2CCCn3nc(C(=O)[O-])cc32)C1=O	ZINC001588773621	984148338	/nfs/dbraw/zinc/14/83/38/984148338.db2.gz	BRLIKSNISHYQRJ-SCZZXKLOSA-N	-1	0	304.306	0.913	20	30		DCEDRM
C=CCCC(=O)N(C)C1CC(Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588773770	984149289	/nfs/dbraw/zinc/14/92/89/984149289.db2.gz	JHBQSRRMCSEDBD-UHFFFAOYSA-N	-1	0	304.350	0.964	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001588777531	984156401	/nfs/dbraw/zinc/15/64/01/984156401.db2.gz	CLRAZTIGLAJXED-VIFPVBQESA-N	-1	0	308.338	0.976	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC001588777991	984158954	/nfs/dbraw/zinc/15/89/54/984158954.db2.gz	ONZBSKFNIFTSGY-QMMMGPOBSA-N	-1	0	312.347	0.828	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)Cc1noc(C)n1)C(=O)[O-]	ZINC001588797914	984232142	/nfs/dbraw/zinc/23/21/42/984232142.db2.gz	NNWFDUIANYAVJA-SECBINFHSA-N	-1	0	303.340	0.607	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN1CCc2cccc(C(=O)[O-])c2C1	ZINC001588844124	984356028	/nfs/dbraw/zinc/35/60/28/984356028.db2.gz	QPIXHNYOHFXZPC-UHFFFAOYSA-N	-1	0	317.345	0.755	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001588850144	984379364	/nfs/dbraw/zinc/37/93/64/984379364.db2.gz	ZEUQMXQHRMFYGB-NSHDSACASA-N	-1	0	306.322	0.390	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)Cc1c(C)nn(C)c1C)C(=O)[O-]	ZINC001588850775	984379823	/nfs/dbraw/zinc/37/98/23/984379823.db2.gz	DGOOSXWJCWMONA-YGRLFVJLSA-N	-1	0	323.393	0.988	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1COc2ccc(O)cc2O1)C(=O)[O-]	ZINC001588856418	984399452	/nfs/dbraw/zinc/39/94/52/984399452.db2.gz	YUZSGFLMNPDORF-ZWNOBZJWSA-N	-1	0	323.301	0.304	20	30		DCEDRM
C=CCOC[C@H](NC(=O)COc1cccc(C=O)c1)C(=O)[O-]	ZINC001588856542	984401011	/nfs/dbraw/zinc/40/10/11/984401011.db2.gz	MCICIDPKBAUYNH-ZDUSSCGKSA-N	-1	0	307.302	0.650	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ncoc1-c1ccon1)C(=O)[O-]	ZINC001588860385	984412676	/nfs/dbraw/zinc/41/26/76/984412676.db2.gz	SSCDXFRRGBKRFN-SECBINFHSA-N	-1	0	307.262	0.715	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(CCC#N)c1C)C(=O)[O-]	ZINC001588860403	984412722	/nfs/dbraw/zinc/41/27/22/984412722.db2.gz	UHOGWLUMDLQLGZ-GFCCVEGCSA-N	-1	0	306.322	0.491	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(OC)c1[N+](=O)[O-])C(=O)[O-]	ZINC001588861237	984414559	/nfs/dbraw/zinc/41/45/59/984414559.db2.gz	DCQPQHQJJQHAHL-SNVBAGLBSA-N	-1	0	324.289	0.989	20	30		DCEDRM
C=CCOCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588868989	984437145	/nfs/dbraw/zinc/43/71/45/984437145.db2.gz	JOOJORCYGVYMPQ-RFQIPJPRSA-N	-1	0	308.378	0.585	20	30		DCEDRM
C=CCn1c(-c2n[nH]cc2C)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588889733	984481199	/nfs/dbraw/zinc/48/11/99/984481199.db2.gz	BUBDSNZHACIJEY-SNVBAGLBSA-N	-1	0	318.337	0.452	20	30		DCEDRM
C=CCn1c(-c2cc[nH]n2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588890209	984484746	/nfs/dbraw/zinc/48/47/46/984484746.db2.gz	SQJAJAFPPFWZHM-JTQLQIEISA-N	-1	0	304.310	0.144	20	30		DCEDRM
C=CCn1c(-c2ncccn2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588891942	984490773	/nfs/dbraw/zinc/49/07/73/984490773.db2.gz	XSENBPRBFSLQFF-SNVBAGLBSA-N	-1	0	316.321	0.211	20	30		DCEDRM
C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588897339	984509456	/nfs/dbraw/zinc/50/94/56/984509456.db2.gz	QDTBINZNLXGHKA-HFAKWTLXSA-N	-1	0	317.349	0.771	20	30		DCEDRM
C=C[C@H](CO)NC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-]	ZINC001588919770	984573962	/nfs/dbraw/zinc/57/39/62/984573962.db2.gz	LXUUKSXJEMIIJZ-MRVPVSSYSA-N	-1	0	324.358	0.925	20	30		DCEDRM
CC#CCCCC(=O)NC[C@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001588924941	984584752	/nfs/dbraw/zinc/58/47/52/984584752.db2.gz	ISIFNMOSMMYVHX-GFCCVEGCSA-N	-1	0	318.377	0.955	20	30		DCEDRM
CC#CCCNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001588927287	984597836	/nfs/dbraw/zinc/59/78/36/984597836.db2.gz	RUHPBZCPOFLISJ-UHFFFAOYSA-N	-1	0	317.345	0.965	20	30		DCEDRM
CC#CCNC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001588931199	984602096	/nfs/dbraw/zinc/60/20/96/984602096.db2.gz	OCSUICPFXPSGGJ-UHFFFAOYSA-N	-1	0	304.258	0.192	20	30		DCEDRM
C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001599893345	984722599	/nfs/dbraw/zinc/72/25/99/984722599.db2.gz	QRDHMFDQUPRSSS-GXSJLCMTSA-N	-1	0	301.302	0.500	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC[C@H]1C(=O)[O-]	ZINC001599910032	984972975	/nfs/dbraw/zinc/97/29/75/984972975.db2.gz	GYIJVAKLCZBDEO-QJPTWQEYSA-N	-1	0	307.350	0.318	20	30		DCEDRM
CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001384597042	985689134	/nfs/dbraw/zinc/68/91/34/985689134.db2.gz	PDCQJWXYVGXARE-DTWKUNHWSA-N	-1	0	307.354	0.550	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)CC(=O)NCc1ccc(C#N)cc1	ZINC001596877734	985736744	/nfs/dbraw/zinc/73/67/44/985736744.db2.gz	PJIZCEUSZFXDSO-AWEZNQCLSA-N	-1	0	319.361	0.596	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001589328294	986156617	/nfs/dbraw/zinc/15/66/17/986156617.db2.gz	ACSSSKMKNVUKMG-ONGXEEELSA-N	-1	0	303.322	0.419	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)Nc1ncc(C(=O)[O-])cn1	ZINC001589329180	986162333	/nfs/dbraw/zinc/16/23/33/986162333.db2.gz	LALUILVOENZBKZ-GXSJLCMTSA-N	-1	0	305.338	0.887	20	30		DCEDRM
C[C@H](C#N)C(=O)NC1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001589329481	986163330	/nfs/dbraw/zinc/16/33/30/986163330.db2.gz	OCFPRSZVULNLRR-SECBINFHSA-N	-1	0	303.322	0.419	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001589330544	986174823	/nfs/dbraw/zinc/17/48/23/986174823.db2.gz	JGKZDPMNKDRBDP-MXWKQRLJSA-N	-1	0	303.384	0.556	20	30		DCEDRM
C[C@H](C#N)N(CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O)C1CC1	ZINC001589331600	986188846	/nfs/dbraw/zinc/18/88/46/986188846.db2.gz	JMEMMWFZQOGGNL-OTYXRUKQSA-N	-1	0	308.338	0.496	20	30		DCEDRM
C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21)n1cnc(C#N)n1	ZINC001589346138	986284796	/nfs/dbraw/zinc/28/47/96/986284796.db2.gz	LXNUNXDAQXHLCG-WISYIIOYSA-N	-1	0	317.349	0.813	20	30		DCEDRM
C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21)n1cnc(C#N)n1	ZINC001589346136	986285018	/nfs/dbraw/zinc/28/50/18/986285018.db2.gz	LXNUNXDAQXHLCG-RHYQMDGZSA-N	-1	0	317.349	0.813	20	30		DCEDRM
CC[C@@H](C#N)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(=O)NC	ZINC001594721747	987205004	/nfs/dbraw/zinc/20/50/04/987205004.db2.gz	BNOHAFKTUNWQSN-VIFPVBQESA-N	-1	0	319.317	0.998	20	30		DCEDRM
CCc1nc(C#N)cc(N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)n1	ZINC001597645576	988665510	/nfs/dbraw/zinc/66/55/10/988665510.db2.gz	VDVZYVNUTZPACD-NXEZZACHSA-N	-1	0	304.306	0.221	20	30		DCEDRM
CCc1nc(C#N)cc(NCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])n1	ZINC001597646556	988667974	/nfs/dbraw/zinc/66/79/74/988667974.db2.gz	CKSBNYAFLQOYGE-WDEREUQCSA-N	-1	0	317.349	0.502	20	30		DCEDRM
CCc1nnc(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)[nH]1	ZINC001597670056	988763902	/nfs/dbraw/zinc/76/39/02/988763902.db2.gz	QPCZHIXNJNOBAO-UHFFFAOYSA-N	-1	0	306.326	0.267	20	30		DCEDRM
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCC(=O)[O-]	ZINC001590588605	990238519	/nfs/dbraw/zinc/23/85/19/990238519.db2.gz	HGVFHZAWBVFJMT-UHFFFAOYSA-N	-1	0	306.322	0.644	20	30		DCEDRM
CN(C(=O)COC(=O)c1ccc(C(=O)[O-])nc1)C(C)(C)C#N	ZINC001598029412	990246519	/nfs/dbraw/zinc/24/65/19/990246519.db2.gz	QCHWDDDAXVQRCR-UHFFFAOYSA-N	-1	0	305.290	0.697	20	30		DCEDRM
CC(C)(CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)CC(=O)[O-]	ZINC001590717186	990481600	/nfs/dbraw/zinc/48/16/00/990481600.db2.gz	KSTCCLYKYAEXRJ-GFCCVEGCSA-N	-1	0	308.382	0.869	20	30		DCEDRM
CC(C)C#CC(=O)NCCN(c1ccnc(C(=O)[O-])n1)C1CC1	ZINC001590927850	990936803	/nfs/dbraw/zinc/93/68/03/990936803.db2.gz	KVZFMBADWKYHON-UHFFFAOYSA-N	-1	0	316.361	0.919	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)N1Cc2ccc(C#N)cc2C1	ZINC001598471644	992034282	/nfs/dbraw/zinc/03/42/82/992034282.db2.gz	YFBZEUJUYVRCEG-UHFFFAOYSA-N	-1	0	309.347	0.525	20	30		DCEDRM
CS(=O)(=O)N1CCC[C@@H](Nc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001599756491	992061293	/nfs/dbraw/zinc/06/12/93/992061293.db2.gz	ZZZAXPINOGANKX-SECBINFHSA-N	-1	0	324.362	0.487	20	30		DCEDRM
C[S@@](=O)C1(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	ZINC001599776136	992304532	/nfs/dbraw/zinc/30/45/32/992304532.db2.gz	WEWRTBNYSVLSLH-OAQYLSRUSA-N	-1	0	313.379	0.297	20	30		DCEDRM
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001598506981	992516725	/nfs/dbraw/zinc/51/67/25/992516725.db2.gz	JJRJHDKSOHZCDF-MWLCHTKSSA-N	-1	0	321.358	0.415	20	30		DCEDRM
CN1C[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCC1=O	ZINC001598567658	993161259	/nfs/dbraw/zinc/16/12/59/993161259.db2.gz	JFMSOXZKGVLBEI-JTQLQIEISA-N	-1	0	308.338	0.007	20	30		DCEDRM
COc1ccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)c(C(=O)[O-])c1	ZINC001599586455	993620087	/nfs/dbraw/zinc/62/00/87/993620087.db2.gz	SAJIIZBTRJFBEX-VIFPVBQESA-N	-1	0	319.317	0.950	20	30		DCEDRM
COc1ccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C#N	ZINC001599594982	993737279	/nfs/dbraw/zinc/73/72/79/993737279.db2.gz	PPTPVJXUJLXIFF-LBPRGKRZSA-N	-1	0	305.290	0.884	20	30		DCEDRM
CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)CC#N	ZINC001598646655	994382075	/nfs/dbraw/zinc/38/20/75/994382075.db2.gz	VLVLBBIYRUGKFI-SECBINFHSA-N	-1	0	319.317	0.998	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-][C@H](CCO)C(F)(F)F)nc1	ZINC001464537948	1015920390	/nfs/dbraw/zinc/92/03/90/1015920390.db2.gz	FPEDRSUFEOUFOV-MRVPVSSYSA-N	-1	0	309.269	0.545	20	30		DCEDRM
N#C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(Cl)cc1	ZINC001464841629	1015953727	/nfs/dbraw/zinc/95/37/27/1015953727.db2.gz	ZJUJLTFOUYBHSK-MRVPVSSYSA-N	-1	0	305.681	0.931	20	30		DCEDRM
C=CC1(CC(=O)NCc2nnn[n-]2)CN(C(=O)OC(C)(C)C)C1	ZINC001464844779	1015953959	/nfs/dbraw/zinc/95/39/59/1015953959.db2.gz	BQROHPGVVBTQSQ-UHFFFAOYSA-N	-1	0	322.369	0.629	20	30		DCEDRM
C[C@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)NC1(C#N)CCC1	ZINC001593556254	995640155	/nfs/dbraw/zinc/64/01/55/995640155.db2.gz	FMCQWMQKMUIGRG-ZETCQYMHSA-N	-1	0	307.262	0.481	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(Cc2cc(C#N)ccn2)C1	ZINC001598775382	995924099	/nfs/dbraw/zinc/92/40/99/995924099.db2.gz	IFEWWQGGPFEOCP-AAEUAGOBSA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@H]1CCN(Cc2cncc(C#N)c2)[C@@H](C(=O)[O-])C1	ZINC001598804275	996169624	/nfs/dbraw/zinc/16/96/24/996169624.db2.gz	RDSIHKPJVHKLSB-QWHCGFSZSA-N	-1	0	303.318	0.791	20	30		DCEDRM
C[C@@]1(C#N)CN(C(=O)CCCn2ccc(C(=O)[O-])n2)CCO1	ZINC001593743600	996369809	/nfs/dbraw/zinc/36/98/09/996369809.db2.gz	VWCZSNDSXGUIPX-CQSZACIVSA-N	-1	0	306.322	0.503	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001598855855	996638204	/nfs/dbraw/zinc/63/82/04/996638204.db2.gz	ZIXAMBOHVWUVIS-HWKANZROSA-N	-1	0	306.274	0.906	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)c1ccc(CCC#N)cc1)C(=O)[O-]	ZINC001599178037	996889158	/nfs/dbraw/zinc/88/91/58/996889158.db2.gz	VUQJYJUAAZBGPU-GFCCVEGCSA-N	-1	0	312.347	0.521	20	30		DCEDRM
COCc1cc(NC(=O)NCC(=O)NCC#N)cc(C(=O)[O-])c1	ZINC001599288160	997017962	/nfs/dbraw/zinc/01/79/62/997017962.db2.gz	ZNZREHFHBCFEDJ-UHFFFAOYSA-N	-1	0	320.305	0.292	20	30		DCEDRM
COc1ccc(C(=O)[O-])cc1Cn1c(=O)c(C#N)cn(C)c1=O	ZINC001599500351	997105800	/nfs/dbraw/zinc/10/58/00/997105800.db2.gz	YPNWMZBQELRMBD-UHFFFAOYSA-N	-1	0	315.285	0.174	20	30		DCEDRM
C[C@H]1CC(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H](C)O1	ZINC001466621691	1016096324	/nfs/dbraw/zinc/09/63/24/1016096324.db2.gz	AGVLABWNGJANMW-UWVGGRQHSA-N	-1	0	320.349	0.283	20	30		DCEDRM
COc1ccc(C(N)=NO[C@H]2CCN(CCC(=O)[O-])C2=O)cc1	ZINC001599521609	997491219	/nfs/dbraw/zinc/49/12/19/997491219.db2.gz	XLRQOAKFIVFULF-LBPRGKRZSA-N	-1	0	321.333	0.408	20	30		DCEDRM
COc1ccc([C@H](NCC(=O)NCCC#N)C(=O)[O-])cc1O	ZINC001599526136	997562346	/nfs/dbraw/zinc/56/23/46/997562346.db2.gz	FKAIFEXGHSGXKB-ZDUSSCGKSA-N	-1	0	307.306	0.146	20	30		DCEDRM
CON=Cc1ccc(C(=O)NCCC(=O)NCCC(=O)[O-])cc1	ZINC001599320748	997576962	/nfs/dbraw/zinc/57/69/62/997576962.db2.gz	LKECNMMPXCXYJI-UHFFFAOYSA-N	-1	0	321.333	0.378	20	30		DCEDRM
CO[C@H]1CN(C(=O)c2ncc(C#N)cc2C)[C@@](C)(C(=O)[O-])C1	ZINC001599129627	997917567	/nfs/dbraw/zinc/91/75/67/997917567.db2.gz	FKPZHDFHIKSIDE-IAQYHMDHSA-N	-1	0	303.318	0.966	20	30		DCEDRM
COc1cc(C#N)ccc1CN1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001599347977	998043150	/nfs/dbraw/zinc/04/31/50/998043150.db2.gz	OADAHVDTZLEYJK-CYBMUJFWSA-N	-1	0	317.345	0.732	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2C[C@H]3CC[C@@H](C2)S3(=O)=O)[n-]c1C#N	ZINC001469566328	1016347149	/nfs/dbraw/zinc/34/71/49/1016347149.db2.gz	JFLKJBFKVQZZDQ-PSVAKVPMSA-N	-1	0	319.346	0.447	20	30		DCEDRM
N#Cc1ccc(CCNC(=O)c2c[n-]n3c2nccc3=O)cc1	ZINC001470075009	1016388412	/nfs/dbraw/zinc/38/84/12/1016388412.db2.gz	QNGUSAMPXPUPAS-UHFFFAOYSA-N	-1	0	307.313	0.867	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C2CCSCC2)c(=O)[n-]c1=O	ZINC001418529023	1000317222	/nfs/dbraw/zinc/31/72/22/1000317222.db2.gz	KPFVJLSUTPPJLZ-UHFFFAOYSA-N	-1	0	308.363	0.080	20	30		DCEDRM
COC[C@@H](NC(=O)Cc1ccccc1CC#N)c1nnn[n-]1	ZINC001419552078	1001133894	/nfs/dbraw/zinc/13/38/94/1001133894.db2.gz	JWXSWYPYFJHOPS-GFCCVEGCSA-N	-1	0	300.322	0.312	20	30		DCEDRM
C=C(Cl)CN1CC[C@](O)(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001402265612	1001155013	/nfs/dbraw/zinc/15/50/13/1001155013.db2.gz	METITKLFEFXYKR-ZDUSSCGKSA-N	-1	0	314.773	0.343	20	30		DCEDRM
C[C@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccncc1	ZINC001470923729	1016503397	/nfs/dbraw/zinc/50/33/97/1016503397.db2.gz	ZENCTGCNUCHVGN-SNVBAGLBSA-N	-1	0	313.317	0.135	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)c1c[n-]n3c1nccc3=O)C2	ZINC001471356091	1016563082	/nfs/dbraw/zinc/56/30/82/1016563082.db2.gz	DMGLTVDOFHQNNX-CYBMUJFWSA-N	-1	0	319.324	0.791	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC2CC3(CSC3)C2)c(=O)[n-]c1=O	ZINC001471387987	1016570769	/nfs/dbraw/zinc/57/07/69/1016570769.db2.gz	UDGXWNHGWGQVJX-UHFFFAOYSA-N	-1	0	320.374	0.222	20	30		DCEDRM
Cc1ccccc1[C@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421081679	1003301662	/nfs/dbraw/zinc/30/16/62/1003301662.db2.gz	LPZKKTSQZCCPGM-GFCCVEGCSA-N	-1	0	300.318	0.399	20	30		DCEDRM
CC[C@@H]1CCC[C@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001427176180	1004241418	/nfs/dbraw/zinc/24/14/18/1004241418.db2.gz	RDJIGKUHABPUNO-ZYHUDNBSSA-N	-1	0	319.365	0.698	20	30		DCEDRM
COC[C@H](CCO)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001417675821	1005865706	/nfs/dbraw/zinc/86/57/06/1005865706.db2.gz	HOIMGGWCCNZFTL-VIFPVBQESA-N	-1	0	311.363	0.508	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@H](C)CN1CCOCC1	ZINC001417732193	1005878339	/nfs/dbraw/zinc/87/83/39/1005878339.db2.gz	FEHVMQJYALZQSH-GFCCVEGCSA-N	-1	0	318.377	0.760	20	30		DCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1n[nH]cc1C#N	ZINC001452034755	1006565341	/nfs/dbraw/zinc/56/53/41/1006565341.db2.gz	XLFZJPGNEIYOTA-ZETCQYMHSA-N	-1	0	303.244	0.923	20	30		DCEDRM
CC(C)(C)OCCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001452962441	1007173975	/nfs/dbraw/zinc/17/39/75/1007173975.db2.gz	KKYJSLTUMZXIPG-UHFFFAOYSA-N	-1	0	322.365	0.532	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cccc3c[nH]nc32)c(=O)[n-]c1=O	ZINC001440864206	1008076467	/nfs/dbraw/zinc/07/64/67/1008076467.db2.gz	ATPDMYWSACKROP-UHFFFAOYSA-N	-1	0	310.273	0.336	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C=Cc2cccs2)c(=O)[n-]c1=O	ZINC001453841923	1008755966	/nfs/dbraw/zinc/75/59/66/1008755966.db2.gz	JMLVGMISPPICBL-ONEGZZNKSA-N	-1	0	316.342	0.712	20	30		DCEDRM
CCC[C@@H]1C(=O)NCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001421653604	1008874276	/nfs/dbraw/zinc/87/42/76/1008874276.db2.gz	ZVVPHHKKAHOLCM-GFCCVEGCSA-N	-1	0	314.349	0.407	20	30		DCEDRM
N#CCc1ccsc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC001433664224	1009041520	/nfs/dbraw/zinc/04/15/20/1009041520.db2.gz	LHFPJOPIDZMLNM-SECBINFHSA-N	-1	0	304.335	0.541	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1sccc1CC#N	ZINC001433901792	1009328311	/nfs/dbraw/zinc/32/83/11/1009328311.db2.gz	DVVAWXCNYYBZOI-UHFFFAOYSA-N	-1	0	315.376	0.010	20	30		DCEDRM
C#CCN(Cc1ccc(F)cc1)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001442763885	1009706035	/nfs/dbraw/zinc/70/60/35/1009706035.db2.gz	DRVRWQWNLMHZJD-UHFFFAOYSA-N	-1	0	304.281	0.490	20	30		DCEDRM
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434280883	1009719829	/nfs/dbraw/zinc/71/98/29/1009719829.db2.gz	CODPFHUAPHHJBD-QISWUMQESA-N	-1	0	320.349	0.139	20	30		DCEDRM
CC(C)(C)c1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n[nH]1	ZINC001434424162	1009935073	/nfs/dbraw/zinc/93/50/73/1009935073.db2.gz	YKSWJFNCLULVPC-UHFFFAOYSA-N	-1	0	316.321	0.480	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C=Cc3ccccc3)C2)c(=O)[n-]c1=O	ZINC001457202366	1011611263	/nfs/dbraw/zinc/61/12/63/1011611263.db2.gz	QQHXQYIDAIDFAV-SREVYHEPSA-N	-1	0	322.324	0.917	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CC(C)(C)CNC(=O)[C@H](C)C#N)c1[O-]	ZINC001423987326	1011807358	/nfs/dbraw/zinc/80/73/58/1011807358.db2.gz	KDFSZNRBHPLKNE-SECBINFHSA-N	-1	0	321.381	0.798	20	30		DCEDRM
Cn1c(=O)[n-]c(N2Cc3ccc(O)cc3C3(CC3)C2)c(C#N)c1=O	ZINC001458391660	1012164209	/nfs/dbraw/zinc/16/42/09/1012164209.db2.gz	HSDZHQKMAMTQED-UHFFFAOYSA-N	-1	0	324.340	0.703	20	30		DCEDRM
CC(C)(C)n1nnc(CC(=O)[N-]Oc2cccc(C#N)c2)n1	ZINC001557923263	1012308631	/nfs/dbraw/zinc/30/86/31/1012308631.db2.gz	YABMHXWJXIKOBW-UHFFFAOYSA-N	-1	0	300.322	0.952	20	30		DCEDRM
C=CCC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)OCC	ZINC001561574464	1012470079	/nfs/dbraw/zinc/47/00/79/1012470079.db2.gz	UQXWUSWPXINUGX-VIFPVBQESA-N	-1	0	312.413	0.446	20	30		DCEDRM
COCC#CCN1CC([C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001506605198	1017399973	/nfs/dbraw/zinc/39/99/73/1017399973.db2.gz	AWOMVTQSNPBHCK-SNVBAGLBSA-N	-1	0	306.366	0.124	20	30		DCEDRM
Cc1ccc(CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001479051325	1017411745	/nfs/dbraw/zinc/41/17/45/1017411745.db2.gz	ZYVBOFQOQNOZIW-UHFFFAOYSA-N	-1	0	317.305	0.221	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001479761176	1017703587	/nfs/dbraw/zinc/70/35/87/1017703587.db2.gz	XILYCQALIYMIJB-UHFFFAOYSA-N	-1	0	305.382	0.757	20	30		DCEDRM
C=C(C)CN1CC(O)(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001500965857	1018766091	/nfs/dbraw/zinc/76/60/91/1018766091.db2.gz	YDPBIIIVGTUPDF-UHFFFAOYSA-N	-1	0	318.333	0.281	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001502124112	1019744265	/nfs/dbraw/zinc/74/42/65/1019744265.db2.gz	KTXWCNMQCWLNCW-NWDGAFQWSA-N	-1	0	321.381	0.019	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001502177982	1019801160	/nfs/dbraw/zinc/80/11/60/1019801160.db2.gz	MMCYJEMWJKIXMY-CQSZACIVSA-N	-1	0	311.386	0.118	20	30		DCEDRM
COCCS(=O)(=O)CCCN1CCC(C#N)(C(=O)[O-])CC1	ZINC001606919656	1170330376	/nfs/dbraw/zinc/33/03/76/1170330376.db2.gz	NQFIYVWKOQTWCA-UHFFFAOYSA-N	-1	0	318.395	0.128	20	30		DCEDRM
CS(=O)(=O)c1ccc(CN(CC#N)CCC(=O)[O-])s1	ZINC001607381038	1170442266	/nfs/dbraw/zinc/44/22/66/1170442266.db2.gz	YTCOPYYHTFXQEX-UHFFFAOYSA-N	-1	0	302.377	0.952	20	30		DCEDRM
N#Cc1cncc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c1	ZINC001608223053	1170618477	/nfs/dbraw/zinc/61/84/77/1170618477.db2.gz	PZUCPDLHSGUVAT-GFCCVEGCSA-N	-1	0	309.347	0.027	20	30		DCEDRM
Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3n[nH]cc3C#N)cc12	ZINC000160952805	237090088	/nfs/dbraw/zinc/09/00/88/237090088.db2.gz	BXIDLHQKIBAVEP-UHFFFAOYSA-N	-1	0	317.334	0.672	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000318445481	291255460	/nfs/dbraw/zinc/25/54/60/291255460.db2.gz	OVBSHZQGVCGXJQ-LLVKDONJSA-N	-1	0	320.330	0.256	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)cc1	ZINC000566859205	291326618	/nfs/dbraw/zinc/32/66/18/291326618.db2.gz	NRPFFGMQVDDAEP-OLZOCXBDSA-N	-1	0	324.358	0.467	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(C(=O)OC)cc1	ZINC000493794551	241158526	/nfs/dbraw/zinc/15/85/26/241158526.db2.gz	SFECHNLHKISPID-JXMROGBWSA-N	-1	0	321.354	0.956	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC	ZINC000497243866	241270403	/nfs/dbraw/zinc/27/04/03/241270403.db2.gz	HFGOYRJQFSLRCH-VIFPVBQESA-N	-1	0	302.327	0.677	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(OCC)nc1)C(=O)[O-]	ZINC000275015189	212074707	/nfs/dbraw/zinc/07/47/07/212074707.db2.gz	NWTFIVKDDVIBHR-NSHDSACASA-N	-1	0	312.347	0.625	20	30		DCEDRM
C#CCCNC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O	ZINC000264949432	204296879	/nfs/dbraw/zinc/29/68/79/204296879.db2.gz	KNXNSXKGYYBXDV-UHFFFAOYSA-N	-1	0	323.374	0.770	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C)C(=O)[O-]	ZINC000274887400	212010783	/nfs/dbraw/zinc/01/07/83/212010783.db2.gz	FDAGECXXXZRTOA-LLVKDONJSA-N	-1	0	324.362	0.584	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000491616510	533269609	/nfs/dbraw/zinc/26/96/09/533269609.db2.gz	AWQMFAMOEIRQAU-CYBMUJFWSA-N	-1	0	316.313	0.113	20	30		DCEDRM
N#Cc1ccnc(N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1[N+](=O)[O-]	ZINC000285461281	131170549	/nfs/dbraw/zinc/17/05/49/131170549.db2.gz	BKJSIGIVSBCCIF-VIFPVBQESA-N	-1	0	316.277	0.922	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2nnc3ccccn32)cn1	ZINC000112495936	395818178	/nfs/dbraw/zinc/81/81/78/395818178.db2.gz	WDHVQZPQYJKIDP-UHFFFAOYSA-N	-1	0	300.303	0.797	20	30		DCEDRM
C=CCSCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000231937608	395886118	/nfs/dbraw/zinc/88/61/18/395886118.db2.gz	BPEPSUBASUTVAF-UHFFFAOYSA-N	-1	0	308.425	0.537	20	30		DCEDRM
COC[C@](C)(NC(=O)COc1ccc(C#N)cc1OC)C(=O)[O-]	ZINC000262061975	396094412	/nfs/dbraw/zinc/09/44/12/396094412.db2.gz	HFLNTUKSEHGEBL-HNNXBMFYSA-N	-1	0	322.317	0.552	20	30		DCEDRM
Cc1cc(C(=O)N[C@@H](C#N)C(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000073495072	396146536	/nfs/dbraw/zinc/14/65/36/396146536.db2.gz	CUGNHOZRJRPGOP-VIFPVBQESA-N	-1	0	301.306	0.610	20	30		DCEDRM
COCCCO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1OC	ZINC000287988648	396436031	/nfs/dbraw/zinc/43/60/31/396436031.db2.gz	JUNYHUMKOGUMHX-UHFFFAOYSA-N	-1	0	307.306	0.590	20	30		DCEDRM
Cn1nc2c(c1[N-]S(=O)(=O)c1cncc(C#N)c1)CCC2	ZINC000290999069	396477166	/nfs/dbraw/zinc/47/71/66/396477166.db2.gz	UUSGDGNXQOHHHQ-UHFFFAOYSA-N	-1	0	303.347	0.976	20	30		DCEDRM
CCOC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C)C(=O)[O-]	ZINC000291009605	396477467	/nfs/dbraw/zinc/47/74/67/396477467.db2.gz	UTCLOOAVUWSOPI-LLVKDONJSA-N	-1	0	312.347	0.635	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(=O)[O-]	ZINC000594528166	396483798	/nfs/dbraw/zinc/48/37/98/396483798.db2.gz	RJPZYIJQFWSGDU-SECBINFHSA-N	-1	0	320.349	0.890	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)CCCCC1	ZINC000595276803	396577498	/nfs/dbraw/zinc/57/74/98/396577498.db2.gz	UMNLYJIOGPQIGH-UHFFFAOYSA-N	-1	0	321.377	0.900	20	30		DCEDRM
CC1CCC(NS(=O)(=O)N(C)CCC#N)(C(=O)[O-])CC1	ZINC000558591213	396611814	/nfs/dbraw/zinc/61/18/14/396611814.db2.gz	ONUSKSBKZNRTPO-UHFFFAOYSA-N	-1	0	303.384	0.700	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cn1	ZINC000600656050	396906933	/nfs/dbraw/zinc/90/69/33/396906933.db2.gz	DSSZGXZFGYHWRY-VIFPVBQESA-N	-1	0	317.273	0.436	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC[C@H]1C(=O)[O-]	ZINC000600797632	396943748	/nfs/dbraw/zinc/94/37/48/396943748.db2.gz	NMHIWIQDZHSILZ-RULNRJAQSA-N	-1	0	311.313	0.020	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC(CC#N)CC2)CC[C@H]1C(=O)[O-]	ZINC000600802952	396944586	/nfs/dbraw/zinc/94/45/86/396944586.db2.gz	VPCDBHFFFHRIBT-DGCLKSJQSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)C(=O)[O-]	ZINC000630316661	396983713	/nfs/dbraw/zinc/98/37/13/396983713.db2.gz	GBPZTIRENPASKM-LBPRGKRZSA-N	-1	0	311.382	0.916	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C#N)CCC1	ZINC000591667362	396970187	/nfs/dbraw/zinc/97/01/87/396970187.db2.gz	NAQUPYMMWSXCIA-CYBMUJFWSA-N	-1	0	316.379	0.576	20	30		DCEDRM
CC#CC[C@@H](CO)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000592111129	397095748	/nfs/dbraw/zinc/09/57/48/397095748.db2.gz	GUCJUMFHPAYAGW-VIFPVBQESA-N	-1	0	316.310	0.787	20	30		DCEDRM
N#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1	ZINC000592440550	397179394	/nfs/dbraw/zinc/17/93/94/397179394.db2.gz	RNVKUNYCNNKYIH-OLZOCXBDSA-N	-1	0	315.329	0.544	20	30		DCEDRM
N#Cc1ccccc1NC(=O)CCCC(=O)NCc1nnn[n-]1	ZINC000613151175	397205827	/nfs/dbraw/zinc/20/58/27/397205827.db2.gz	UOHMTBKSJKRDQV-UHFFFAOYSA-N	-1	0	313.321	0.497	20	30		DCEDRM
C[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1(C)C	ZINC000602135924	397315240	/nfs/dbraw/zinc/31/52/40/397315240.db2.gz	MWFYJYHMHIGIAT-JTQLQIEISA-N	-1	0	304.350	0.715	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@@H]2c2ccccc2)c(=O)[n-]c1=O	ZINC000602061903	397292087	/nfs/dbraw/zinc/29/20/87/397292087.db2.gz	SRPPKCRFDZLTPO-CYBMUJFWSA-N	-1	0	310.313	0.794	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)CC1	ZINC000577650514	397349603	/nfs/dbraw/zinc/34/96/03/397349603.db2.gz	WCQOQHHVDICKJQ-QWRGUYRKSA-N	-1	0	316.379	0.168	20	30		DCEDRM
C[C@H]1CCSCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602147385	397322983	/nfs/dbraw/zinc/32/29/83/397322983.db2.gz	FXKKHTFBOCTWJA-JTQLQIEISA-N	-1	0	322.390	0.565	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)c(F)c1	ZINC000578358222	397427151	/nfs/dbraw/zinc/42/71/51/397427151.db2.gz	WHBAYNKWOVSQAR-NSHDSACASA-N	-1	0	319.308	0.973	20	30		DCEDRM
CCn1nccc1/C=C/C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000492908207	397524962	/nfs/dbraw/zinc/52/49/62/397524962.db2.gz	FYXHHHMEIWRJEQ-ONEGZZNKSA-N	-1	0	308.363	0.666	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C/c1ccco1	ZINC000493576292	397528025	/nfs/dbraw/zinc/52/80/25/397528025.db2.gz	CKCPPSUDPQEPQL-VOTSOKGWSA-N	-1	0	324.358	0.268	20	30		DCEDRM
C[S@@](=O)CCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000125503465	158256800	/nfs/dbraw/zinc/25/68/00/158256800.db2.gz	MCEOUPDTKKGVCL-IBGZPJMESA-N	-1	0	322.358	0.883	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@]23CCOC3)c1	ZINC000408484182	160118220	/nfs/dbraw/zinc/11/82/20/160118220.db2.gz	DHTWWRXXNXIRFF-AAEUAGOBSA-N	-1	0	307.331	0.185	20	30		DCEDRM
C[C@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000408486902	160118310	/nfs/dbraw/zinc/11/83/10/160118310.db2.gz	KKRLVNQKMLBWFF-ZANVPECISA-N	-1	0	321.358	0.763	20	30		DCEDRM
N#Cc1ccc(C[C@@H](C#N)C(=O)NCCCc2n[nH]c(=O)[n-]2)cc1	ZINC000352590446	415239930	/nfs/dbraw/zinc/23/99/30/415239930.db2.gz	ZVEOPMCRCUUFTL-ZDUSSCGKSA-N	-1	0	324.344	0.813	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)c2cccc([O-])c2[N+](=O)[O-])n1	ZINC000343043392	415419015	/nfs/dbraw/zinc/41/90/15/415419015.db2.gz	QSAPGIDLIFBSPD-UHFFFAOYSA-N	-1	0	302.250	0.194	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)NCCOCC(=O)[O-])ccc1F	ZINC000093228443	415543145	/nfs/dbraw/zinc/54/31/45/415543145.db2.gz	QZJYTNDAZVJYEL-UHFFFAOYSA-N	-1	0	302.283	0.077	20	30		DCEDRM
CC[C@@](C)(C#N)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000285198108	415612060	/nfs/dbraw/zinc/61/20/60/415612060.db2.gz	UUIUQIVSFACBMM-VIFPVBQESA-N	-1	0	303.369	0.788	20	30		DCEDRM
C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)O)cc2[n-]c1=S	ZINC000128628298	415902246	/nfs/dbraw/zinc/90/22/46/415902246.db2.gz	LQBKOTAJWDRYIH-SECBINFHSA-N	-1	0	319.386	0.982	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000340518271	416190206	/nfs/dbraw/zinc/19/02/06/416190206.db2.gz	HKVDTRUOQJVFNC-LBPRGKRZSA-N	-1	0	311.363	0.362	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)s1	ZINC000358533748	416252094	/nfs/dbraw/zinc/25/20/94/416252094.db2.gz	YXBUOOMDGDOAHU-UHFFFAOYSA-N	-1	0	312.332	0.930	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000331328247	416306572	/nfs/dbraw/zinc/30/65/72/416306572.db2.gz	NMASYBUOILLZPE-SECBINFHSA-N	-1	0	309.326	0.171	20	30		DCEDRM
Cc1ccc(N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)nc1C#N	ZINC000416449845	416369721	/nfs/dbraw/zinc/36/97/21/416369721.db2.gz	WMKYOAFSSDSGJT-RISCZKNCSA-N	-1	0	316.361	1.384	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000583557798	416473375	/nfs/dbraw/zinc/47/33/75/416473375.db2.gz	RTXKRKYVMLBYOR-GFCCVEGCSA-N	-1	0	312.366	0.409	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)NCC#Cc1cccc(F)c1)C(=O)[O-]	ZINC000420577532	416418970	/nfs/dbraw/zinc/41/89/70/416418970.db2.gz	GERWDNKENFJOGZ-LLVKDONJSA-N	-1	0	320.320	0.473	20	30		DCEDRM
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1C#N	ZINC000422648545	416443844	/nfs/dbraw/zinc/44/38/44/416443844.db2.gz	FGAOZQSQPPNOIH-VIFPVBQESA-N	-1	0	319.317	0.873	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC000422655859	416445487	/nfs/dbraw/zinc/44/54/87/416445487.db2.gz	VIHZNAOUQLMAQJ-LLVKDONJSA-N	-1	0	301.302	0.738	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(C(=O)NC)cc1	ZINC000492301928	416635348	/nfs/dbraw/zinc/63/53/48/416635348.db2.gz	WTNMPMIQZPWVEZ-TWGQIWQCSA-N	-1	0	308.359	0.691	20	30		DCEDRM
N#Cc1cnc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(Cl)c1	ZINC000424468656	416652576	/nfs/dbraw/zinc/65/25/76/416652576.db2.gz	JZGQTICYFZCJKR-SECBINFHSA-N	-1	0	315.738	0.295	20	30		DCEDRM
COC[C@H](C)n1ccc(=NC(=O)N=c2[n-]n(C)cc2C#N)[nH]1	ZINC000615025506	416743739	/nfs/dbraw/zinc/74/37/39/416743739.db2.gz	ZNAVCHGDCKQOIB-VIFPVBQESA-N	-1	0	303.326	0.183	20	30		DCEDRM
C[C@@H]1CCC[C@H](NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)[C@H]1C	ZINC000516650724	416733798	/nfs/dbraw/zinc/73/37/98/416733798.db2.gz	SNYFWYUYJKWYQN-SCVCMEIPSA-N	-1	0	304.350	0.349	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccco2)C(=O)[O-])o1	ZINC000558473997	416771928	/nfs/dbraw/zinc/77/19/28/416771928.db2.gz	CJHWBYXBSPYEOP-JTQLQIEISA-N	-1	0	310.287	0.718	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000564983769	416901909	/nfs/dbraw/zinc/90/19/09/416901909.db2.gz	FGRDGAJIVSFREX-GMTAPVOTSA-N	-1	0	303.384	0.365	20	30		DCEDRM
N#CCCC1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000519608341	416923563	/nfs/dbraw/zinc/92/35/63/416923563.db2.gz	NEVHXTWVWQZXGY-CYBMUJFWSA-N	-1	0	321.377	0.852	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cn(C(C)C)cn1)C(=O)[O-]	ZINC000574688379	417486194	/nfs/dbraw/zinc/48/61/94/417486194.db2.gz	NIBRQVQEBFZFSB-JTQLQIEISA-N	-1	0	317.367	0.398	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cn(C(C)C)cn1)C(=O)[O-]	ZINC000574688380	417486435	/nfs/dbraw/zinc/48/64/35/417486435.db2.gz	NIBRQVQEBFZFSB-SNVBAGLBSA-N	-1	0	317.367	0.398	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1cnccc1OCC)C(=O)[O-]	ZINC000646041080	417859097	/nfs/dbraw/zinc/85/90/97/417859097.db2.gz	PQUUAEONTAJJOO-VIFPVBQESA-N	-1	0	300.336	0.788	20	30		DCEDRM
C=CCn1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)nn1	ZINC000647732420	418046021	/nfs/dbraw/zinc/04/60/21/418046021.db2.gz	GSFIEGFDPACDRD-HTQZYQBOSA-N	-1	0	318.255	0.799	20	30		DCEDRM
C=CCCOCC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC000653311973	418056027	/nfs/dbraw/zinc/05/60/27/418056027.db2.gz	CMBLROQKMXNFFI-GFCCVEGCSA-N	-1	0	324.377	0.503	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659402820	418092244	/nfs/dbraw/zinc/09/22/44/418092244.db2.gz	HRYUVOOIYMOYNR-BRXULGCHSA-N	-1	0	324.377	0.710	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000654820143	418191416	/nfs/dbraw/zinc/19/14/16/418191416.db2.gz	ZTMFRSUXWXWFFR-VOAKCMCISA-N	-1	0	312.366	0.851	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000655997711	418313737	/nfs/dbraw/zinc/31/37/37/418313737.db2.gz	JIPSYTMUAVVFKE-SRVKXCTJSA-N	-1	0	312.366	0.167	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccccc2[O-])C1=O	ZINC000656979610	418396847	/nfs/dbraw/zinc/39/68/47/418396847.db2.gz	PDJOHSCNAGVRDR-LLVKDONJSA-N	-1	0	310.375	0.800	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cn1	ZINC000354201903	261189403	/nfs/dbraw/zinc/18/94/03/261189403.db2.gz	ZLIPSSUFDTUDPD-UHFFFAOYSA-N	-1	0	321.318	0.274	20	30		DCEDRM
N#Cc1cccc(CCNC(=O)CSc2n[nH]c(=O)[n-]2)c1	ZINC000357682028	261570658	/nfs/dbraw/zinc/57/06/58/261570658.db2.gz	ZNOGSKVTLARXHB-UHFFFAOYSA-N	-1	0	303.347	0.833	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2cccnc2)cn1	ZINC000492663680	268254661	/nfs/dbraw/zinc/25/46/61/268254661.db2.gz	QJYOZOSKOJRREY-ZZXKWVIFSA-N	-1	0	314.326	0.867	20	30		DCEDRM
COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000547903819	288090302	/nfs/dbraw/zinc/09/03/02/288090302.db2.gz	MPDZBTFIVKFOLJ-UHFFFAOYSA-N	-1	0	313.335	0.065	20	30		DCEDRM
CN1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)c2ccccc2C1=O	ZINC000364830523	290267408	/nfs/dbraw/zinc/26/74/08/290267408.db2.gz	QAGMFACPWHDPET-LLVKDONJSA-N	-1	0	320.312	0.961	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1ccc(C#N)nc1	ZINC000399480100	331481834	/nfs/dbraw/zinc/48/18/34/331481834.db2.gz	XKWXJQIBXBOXCU-BXKDBHETSA-N	-1	0	311.363	0.977	20	30		DCEDRM
CCCSC[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000569609670	332201029	/nfs/dbraw/zinc/20/10/29/332201029.db2.gz	XAVMNEZZOIPISH-VHSXEESVSA-N	-1	0	323.440	0.651	20	30		DCEDRM
CCC[C@@H]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)[C@@H]1C(=O)[O-]	ZINC000566312161	332335112	/nfs/dbraw/zinc/33/51/12/332335112.db2.gz	OTYLBOCYKSTWKU-TUAOUCFPSA-N	-1	0	317.411	0.898	20	30		DCEDRM
C[C@@H](OC(C)(C)C)[C@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000583396187	332385718	/nfs/dbraw/zinc/38/57/18/332385718.db2.gz	GAPTVOWODFNYPQ-ZJUUUORDSA-N	-1	0	306.384	0.866	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)CCCC(=O)[O-]	ZINC000569815070	332682229	/nfs/dbraw/zinc/68/22/29/332682229.db2.gz	OFSRFABSWABMEE-GHMZBOCLSA-N	-1	0	305.400	0.946	20	30		DCEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)N(CCO)CC(=O)[O-])c1	ZINC000388719329	333166593	/nfs/dbraw/zinc/16/65/93/333166593.db2.gz	ZKADJEDNHJTRNH-UHFFFAOYSA-N	-1	0	318.738	0.279	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)N1CCCC[C@H]1C)C(=O)[O-]	ZINC000563078844	333342640	/nfs/dbraw/zinc/34/26/40/333342640.db2.gz	BLGYTYWAMFQXAF-GHMZBOCLSA-N	-1	0	306.384	0.351	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000563610356	333636960	/nfs/dbraw/zinc/63/69/60/333636960.db2.gz	VUAUBULTMTZEMT-GHMZBOCLSA-N	-1	0	303.384	0.652	20	30		DCEDRM
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H]2CNC(=O)C2)c1	ZINC000330748678	334807527	/nfs/dbraw/zinc/80/75/27/334807527.db2.gz	XUJXBJOGVGTHBC-VIFPVBQESA-N	-1	0	311.363	0.560	20	30		DCEDRM
CCOC(=O)C[C@@H](S[C@H](C)C(=O)N(C)CCC#N)C(=O)[O-]	ZINC001573786319	1159232219	/nfs/dbraw/zinc/23/22/19/1159232219.db2.gz	OZPMGFRXZQOXOM-NXEZZACHSA-N	-1	0	316.379	0.887	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000583557799	335726739	/nfs/dbraw/zinc/72/67/39/335726739.db2.gz	RTXKRKYVMLBYOR-LBPRGKRZSA-N	-1	0	312.366	0.409	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)nn1	ZINC000582541628	337107058	/nfs/dbraw/zinc/10/70/58/337107058.db2.gz	LHNOQMUYVGGPNA-JTQLQIEISA-N	-1	0	302.342	0.387	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)NCCC[C@H](C)C(=O)[O-]	ZINC000583087587	337233988	/nfs/dbraw/zinc/23/39/88/337233988.db2.gz	BWJGHOIHORRNET-NSHDSACASA-N	-1	0	321.399	0.184	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422707651	337683596	/nfs/dbraw/zinc/68/35/96/337683596.db2.gz	WVAIPBDDGHAIIM-QWRGUYRKSA-N	-1	0	309.366	0.612	20	30		DCEDRM
CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)C(=O)[O-]	ZINC000424401818	337830370	/nfs/dbraw/zinc/83/03/70/337830370.db2.gz	BNJAOAOLQPKUIS-SDDRHHMPSA-N	-1	0	309.366	0.658	20	30		DCEDRM
C#CCN(CC#N)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000491546802	339866480	/nfs/dbraw/zinc/86/64/80/339866480.db2.gz	XPJFAWUTGZYYPO-UHFFFAOYSA-N	-1	0	312.354	0.671	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000491705520	339875123	/nfs/dbraw/zinc/87/51/23/339875123.db2.gz	KOVFXFWCJUIQOJ-SECBINFHSA-N	-1	0	316.329	0.771	20	30		DCEDRM
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCCC1=NNCC(=O)[O-]	ZINC000495722569	339990908	/nfs/dbraw/zinc/99/09/08/339990908.db2.gz	VOEVPZYVSYRFFH-UWVGGRQHSA-N	-1	0	315.370	0.966	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000542858342	341023904	/nfs/dbraw/zinc/02/39/04/341023904.db2.gz	CHRBITLJAQXZBC-JTQLQIEISA-N	-1	0	311.315	0.560	20	30		DCEDRM
Cc1cc(C)n(C[C@H](NS(=O)(=O)CCCC#N)C(=O)[O-])n1	ZINC000548531178	341265831	/nfs/dbraw/zinc/26/58/31/341265831.db2.gz	SZYPISZEZPWACY-NSHDSACASA-N	-1	0	314.367	0.176	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(C(=O)[O-])CCCC1	ZINC000566312617	341553801	/nfs/dbraw/zinc/55/38/01/341553801.db2.gz	ORMWIUKEWONEDN-JTQLQIEISA-N	-1	0	303.384	0.557	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-]	ZINC000568001141	341644974	/nfs/dbraw/zinc/64/49/74/341644974.db2.gz	OLORHXJBVVKQPZ-KOLCDFICSA-N	-1	0	303.384	0.556	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)NC1(C(=O)[O-])CCC1	ZINC000577867867	341945134	/nfs/dbraw/zinc/94/51/34/341945134.db2.gz	FCADUAYDSHNUEC-UHFFFAOYSA-N	-1	0	310.331	0.852	20	30		DCEDRM
N#CC1(CS(=O)(=O)NCCc2cccc(C(=O)[O-])n2)CC1	ZINC000281961734	534557917	/nfs/dbraw/zinc/55/79/17/534557917.db2.gz	SXDIUBALOBNUKW-UHFFFAOYSA-N	-1	0	309.347	0.545	20	30		DCEDRM
C=CCN1CC[C@H](N(C)CC(=O)[N-]OCc2ccccc2)C1=O	ZINC000281231039	526498901	/nfs/dbraw/zinc/49/89/01/526498901.db2.gz	FKKBQJMNGISIHA-HNNXBMFYSA-N	-1	0	317.389	0.953	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)COc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000262861670	526786677	/nfs/dbraw/zinc/78/66/77/526786677.db2.gz	ARPUFMSWPVUQRD-LLVKDONJSA-N	-1	0	311.338	0.188	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]	ZINC000262937138	526807468	/nfs/dbraw/zinc/80/74/68/526807468.db2.gz	HKEVQYVGYMNYGF-NSHDSACASA-N	-1	0	324.289	0.989	20	30		DCEDRM
C=CCC[C@@H](NC(=O)CNC(=O)c1cccc(OC)c1)C(=O)[O-]	ZINC000263034889	527437103	/nfs/dbraw/zinc/43/71/03/527437103.db2.gz	ZDNULKPFGUXDOT-CYBMUJFWSA-N	-1	0	320.345	0.961	20	30		DCEDRM
CC[C@H](CC#N)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000273811866	529301191	/nfs/dbraw/zinc/30/11/91/529301191.db2.gz	AXMOCXKWNTZDIY-SSDOTTSWSA-N	-1	0	323.334	0.407	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)NC2(C#N)CCOCC2)c1	ZINC000424681010	536919136	/nfs/dbraw/zinc/91/91/36/536919136.db2.gz	VBQBNWDJZBRQRT-QFIPXVFZSA-N	-1	0	322.386	0.992	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C1(OCC)CCOCC1)C(=O)[O-]	ZINC000668290744	546722974	/nfs/dbraw/zinc/72/29/74/546722974.db2.gz	WPWNCAMZRVTSDE-NSHDSACASA-N	-1	0	301.339	0.344	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCCc1nc(C)cs1)C(=O)[O-]	ZINC000684721115	548642779	/nfs/dbraw/zinc/64/27/79/548642779.db2.gz	NDMCEWNQUFICSD-SNVBAGLBSA-N	-1	0	313.379	0.949	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000765034749	597033493	/nfs/dbraw/zinc/03/34/93/597033493.db2.gz	JYEYBCQFEZJJAO-WBNXYMAISA-N	-1	0	323.349	0.518	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)c1	ZINC000817675471	597037183	/nfs/dbraw/zinc/03/71/83/597037183.db2.gz	YNWCJABVDLVJHG-ZDUSSCGKSA-N	-1	0	318.329	0.863	20	30		DCEDRM
CN(CCCC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)C(=O)[O-]	ZINC000737435683	599872911	/nfs/dbraw/zinc/87/29/11/599872911.db2.gz	ZDLBEYGFLMTSNH-AWEZNQCLSA-N	-1	0	311.338	0.728	20	30		DCEDRM
C[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)[O-]	ZINC000739024134	597307921	/nfs/dbraw/zinc/30/79/21/597307921.db2.gz	PTMCABUETVTTHD-JTQLQIEISA-N	-1	0	324.358	0.967	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)Nc1nnc(C2CC2)o1	ZINC000819865437	597612716	/nfs/dbraw/zinc/61/27/16/597612716.db2.gz	LDWWMNXDPFXZBS-CYBMUJFWSA-N	-1	0	322.277	0.433	20	30		DCEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NCC(F)(F)F	ZINC000820160885	597617373	/nfs/dbraw/zinc/61/73/73/597617373.db2.gz	KBWDYFIFOYBZOM-LHLIQPBNSA-N	-1	0	310.228	0.601	20	30		DCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)Nc1ncccn1	ZINC000820162017	597625022	/nfs/dbraw/zinc/62/50/22/597625022.db2.gz	WNSYFQJLLCAIDI-ISVAXAHUSA-N	-1	0	306.278	0.351	20	30		DCEDRM
CC(C)N1C(=S)N=NC1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820066923	597645504	/nfs/dbraw/zinc/64/55/04/597645504.db2.gz	UEPBTYSYWAASGF-LBPRGKRZSA-N	-1	0	311.367	0.768	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCN(c2cccnn2)C1	ZINC000819822508	597648057	/nfs/dbraw/zinc/64/80/57/597648057.db2.gz	OMUGSMPGVTVJPJ-ABAIWWIYSA-N	-1	0	317.349	0.566	20	30		DCEDRM
C#Cc1ccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])nc1	ZINC000819706067	597691759	/nfs/dbraw/zinc/69/17/59/597691759.db2.gz	LWVBAOFLENAVBE-JTQLQIEISA-N	-1	0	303.318	0.114	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CC#Cc1ccc(F)cc1	ZINC000822814223	607326871	/nfs/dbraw/zinc/32/68/71/607326871.db2.gz	CIKBJQFKQUTIJR-UHFFFAOYSA-N	-1	0	308.280	0.708	20	30		DCEDRM
NS(=O)(=O)c1ccc(N=NCc2cccc(C(=O)[O-])c2)nc1	ZINC000814799005	598201391	/nfs/dbraw/zinc/20/13/91/598201391.db2.gz	VTTXHMDDSQLOQQ-UHFFFAOYSA-N	-1	0	320.330	0.873	20	30		DCEDRM
CNC(=O)Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC000820636979	598223544	/nfs/dbraw/zinc/22/35/44/598223544.db2.gz	ALPPZJIJQPWXHH-OAHLLOKOSA-N	-1	0	303.318	0.918	20	30		DCEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NCc1ccccc1	ZINC000820114804	598224980	/nfs/dbraw/zinc/22/49/80/598224980.db2.gz	QBNURWZWWNPWLU-BDJLRTHQSA-N	-1	0	317.345	0.812	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cccc(-n2cncn2)c1	ZINC000819842111	598228123	/nfs/dbraw/zinc/22/81/23/598228123.db2.gz	JCWAPILBBOQMPR-OAHLLOKOSA-N	-1	0	313.317	0.888	20	30		DCEDRM
CN(CC(=O)NCc1ccccc1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820562675	598228185	/nfs/dbraw/zinc/22/81/85/598228185.db2.gz	QNGYJBQSHXONPK-INIZCTEOSA-N	-1	0	317.345	0.766	20	30		DCEDRM
N#CCOc1ccc(Cn2cccc(-c3nnn[n-]3)c2=O)cc1	ZINC000822814520	599384803	/nfs/dbraw/zinc/38/48/03/599384803.db2.gz	HLOXPOFOZUFEBP-UHFFFAOYSA-N	-1	0	308.301	0.979	20	30		DCEDRM
N#Cc1ccc(N2CC[C@@H](N3CCO[C@@H](C(=O)[O-])C3)C2=O)cc1	ZINC000738431896	599971817	/nfs/dbraw/zinc/97/18/17/599971817.db2.gz	ANQNVUAGVGTKAN-ZIAGYGMSSA-N	-1	0	315.329	0.449	20	30		DCEDRM
N#Cc1ccc(OC[C@@H](O)CN2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000738431549	599972718	/nfs/dbraw/zinc/97/27/18/599972718.db2.gz	XFNCQDTXIRUPSV-GXTWGEPZSA-N	-1	0	306.318	0.083	20	30		DCEDRM
N#Cc1ccc(OC[C@H](O)CN2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000738431555	599972769	/nfs/dbraw/zinc/97/27/69/599972769.db2.gz	XFNCQDTXIRUPSV-OCCSQVGLSA-N	-1	0	306.318	0.083	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CCO1	ZINC000093932740	599981306	/nfs/dbraw/zinc/98/13/06/599981306.db2.gz	HXAGWHNNWBCXMG-SECBINFHSA-N	-1	0	314.294	0.437	20	30		DCEDRM
CCN(CC(=O)[O-])C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000737076660	600025889	/nfs/dbraw/zinc/02/58/89/600025889.db2.gz	YHMOWTWEHKDZGD-UHFFFAOYSA-N	-1	0	313.317	0.873	20	30		DCEDRM
C#CCNC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000736079233	600143277	/nfs/dbraw/zinc/14/32/77/600143277.db2.gz	JSGSDEODBNFHPS-UHFFFAOYSA-N	-1	0	310.737	0.682	20	30		DCEDRM
Cc1oc(NC(=O)COC(=O)[C@@H]2C[C@H]2C(=O)[O-])c(C#N)c1C	ZINC000738975035	600171173	/nfs/dbraw/zinc/17/11/73/600171173.db2.gz	KBSQNJBRUPSUQR-RKDXNWHRSA-N	-1	0	306.274	0.971	20	30		DCEDRM
C[C@H](CS(=O)(=O)CC(=O)NCc1cccc(C#N)c1)C(=O)[O-]	ZINC000736615564	600197460	/nfs/dbraw/zinc/19/74/60/600197460.db2.gz	OUMRFRWDXZIPHZ-SNVBAGLBSA-N	-1	0	324.358	0.310	20	30		DCEDRM
O=C([O-])c1ccc(NC(=O)Cn2ccc(C=NO)nc2=O)cc1	ZINC000739356581	600207498	/nfs/dbraw/zinc/20/74/98/600207498.db2.gz	LFOFXCMIUFJFPD-UHFFFAOYSA-N	-1	0	316.273	0.388	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)NCCCC(=O)[O-])c1	ZINC000736090098	600338273	/nfs/dbraw/zinc/33/82/73/600338273.db2.gz	VEEOZZZFGKMXSO-UHFFFAOYSA-N	-1	0	304.302	0.618	20	30		DCEDRM
C[C@@H](OC(=O)Cc1ccc(OCC#N)cc1)C(=O)NCC(=O)[O-]	ZINC000736691935	600369285	/nfs/dbraw/zinc/36/92/85/600369285.db2.gz	HSKLCRJJYDXERY-SNVBAGLBSA-N	-1	0	320.301	0.264	20	30		DCEDRM
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000736868733	600400795	/nfs/dbraw/zinc/40/07/95/600400795.db2.gz	LIOSLVKNBVNOGJ-RYUDHWBXSA-N	-1	0	309.366	0.708	20	30		DCEDRM
COc1ccc2c(c1)OC[C@H](C(=O)N(CC#N)CC(=O)[O-])C2	ZINC000738079012	600402862	/nfs/dbraw/zinc/40/28/62/600402862.db2.gz	FLKHKSBLRZJHCK-LLVKDONJSA-N	-1	0	304.302	0.683	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000739076397	600404226	/nfs/dbraw/zinc/40/42/26/600404226.db2.gz	WFBBSQIXVWGVDE-JTQLQIEISA-N	-1	0	305.290	0.065	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CSc1ccc2c(c1)OCCO2	ZINC000739079410	600406033	/nfs/dbraw/zinc/40/60/33/600406033.db2.gz	WYZQWJFXYCFEBS-UHFFFAOYSA-N	-1	0	322.342	0.987	20	30		DCEDRM
N#CC1(NC(=O)c2ccc(OCC(=O)[O-])cc2)CCOCC1	ZINC000739066205	600621843	/nfs/dbraw/zinc/62/18/43/600621843.db2.gz	HSKTYTQVQHKKFN-UHFFFAOYSA-N	-1	0	304.302	0.953	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000736088454	600656765	/nfs/dbraw/zinc/65/67/65/600656765.db2.gz	VTETUSCWPQACBA-UHFFFAOYSA-N	-1	0	324.333	0.945	20	30		DCEDRM
COC(=O)CN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000737606116	600763435	/nfs/dbraw/zinc/76/34/35/600763435.db2.gz	VEXPFBPSYKOWJS-UHFFFAOYSA-N	-1	0	318.332	0.134	20	30		DCEDRM
CC(C)[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000817933235	600880440	/nfs/dbraw/zinc/88/04/40/600880440.db2.gz	GQAVPSFLURFIFX-GXZRWPEMSA-N	-1	0	309.322	0.128	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCC(=O)[O-]	ZINC000817675276	600897446	/nfs/dbraw/zinc/89/74/46/600897446.db2.gz	IXMPWEXAYGIGFI-UHFFFAOYSA-N	-1	0	308.265	0.367	20	30		DCEDRM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](CO)C(=O)[O-]	ZINC000833024487	601216503	/nfs/dbraw/zinc/21/65/03/601216503.db2.gz	FVGWRBNJVLJSMC-SNVBAGLBSA-N	-1	0	303.274	0.426	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)N(C)Cc1ccc(C#N)cc1	ZINC000088769436	601254139	/nfs/dbraw/zinc/25/41/39/601254139.db2.gz	YGXNDQIGFSMXHV-UHFFFAOYSA-N	-1	0	311.363	0.641	20	30		DCEDRM
COC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC000831112506	601315584	/nfs/dbraw/zinc/31/55/84/601315584.db2.gz	ABOUHEFLEPAYQT-STQMWFEESA-N	-1	0	304.302	0.558	20	30		DCEDRM
C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCS1(=O)=O	ZINC000828414057	601318554	/nfs/dbraw/zinc/31/85/54/601318554.db2.gz	WQHGXTHJIBFJQT-ZWNOBZJWSA-N	-1	0	308.359	0.803	20	30		DCEDRM
C[C@@H](CN(C)CCS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000163336413	601375813	/nfs/dbraw/zinc/37/58/13/601375813.db2.gz	BTBYIGZTRGQJTK-NSHDSACASA-N	-1	0	310.375	0.984	20	30		DCEDRM
CC[C@](C)(CC(=O)[O-])NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000828623203	601470483	/nfs/dbraw/zinc/47/04/83/601470483.db2.gz	KIGHOWRUDGZSTG-SEWDUPMJSA-N	-1	0	323.349	0.663	20	30		DCEDRM
CN(C(=O)CN1CCOC[C@@H]1C(=O)[O-])C1(C#N)CCCCC1	ZINC000830485293	601558936	/nfs/dbraw/zinc/55/89/36/601558936.db2.gz	CTJRYWQCWMOCFI-GFCCVEGCSA-N	-1	0	309.366	0.457	20	30		DCEDRM
N#CCCN(C(=O)CN1CCOC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000833065991	601560878	/nfs/dbraw/zinc/56/08/78/601560878.db2.gz	QMVZPRMNUFHJNP-CQSZACIVSA-N	-1	0	317.345	0.719	20	30		DCEDRM
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000828500606	601724987	/nfs/dbraw/zinc/72/49/87/601724987.db2.gz	VIVHHNIYKMUAQA-MXWKQRLJSA-N	-1	0	315.333	0.106	20	30		DCEDRM
C#CCNC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1	ZINC000825619478	601849811	/nfs/dbraw/zinc/84/98/11/601849811.db2.gz	NFWHPLOHSDBQBX-UHFFFAOYSA-N	-1	0	324.358	0.118	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)c1cnc(C(=O)[O-])cn1	ZINC000830776936	601930602	/nfs/dbraw/zinc/93/06/02/601930602.db2.gz	CDEMPFWZJMFRAO-UHFFFAOYSA-N	-1	0	301.310	0.421	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000179071333	601979945	/nfs/dbraw/zinc/97/99/45/601979945.db2.gz	KMDPXQPBRXPIQG-MRVPVSSYSA-N	-1	0	316.285	0.932	20	30		DCEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCN3C(=O)OC[C@H]3C2)cc1	ZINC000833070915	602058922	/nfs/dbraw/zinc/05/89/22/602058922.db2.gz	BPCXNUVMRZHVJJ-CHWSQXEVSA-N	-1	0	301.302	0.820	20	30		DCEDRM
COCc1cccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)c1	ZINC000826164762	607543348	/nfs/dbraw/zinc/54/33/48/607543348.db2.gz	PBRXLQQHKROPOF-UHFFFAOYSA-N	-1	0	310.321	0.712	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C(=O)[O-]	ZINC000827460991	602254184	/nfs/dbraw/zinc/25/41/84/602254184.db2.gz	JGFHAOUFKVJXDO-MRVPVSSYSA-N	-1	0	323.280	0.503	20	30		DCEDRM
CCc1ncsc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000825754953	607562457	/nfs/dbraw/zinc/56/24/57/607562457.db2.gz	LFOPJIXRQLDAOZ-UHFFFAOYSA-N	-1	0	315.322	0.733	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)C[C@H]2CCCN2C(=O)[O-])CC1	ZINC000823456102	602772634	/nfs/dbraw/zinc/77/26/34/602772634.db2.gz	JZVUEDJPWMKMLW-CYBMUJFWSA-N	-1	0	321.377	0.507	20	30		DCEDRM
CN(C[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000828229321	603153303	/nfs/dbraw/zinc/15/33/03/603153303.db2.gz	BXMMGZSRVWXYEU-LLVKDONJSA-N	-1	0	324.362	0.716	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CCN1C1CC1	ZINC000831075845	603613516	/nfs/dbraw/zinc/61/35/16/603613516.db2.gz	DFGXSPRYFLTNQA-NQBHXWOUSA-N	-1	0	306.366	0.621	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)[O-])CC1	ZINC000831118311	603672135	/nfs/dbraw/zinc/67/21/35/603672135.db2.gz	UMQWWNRYNVBINP-UHFFFAOYSA-N	-1	0	320.280	0.458	20	30		DCEDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)Nc1cnn(CC#N)c1	ZINC000826116021	603708742	/nfs/dbraw/zinc/70/87/42/603708742.db2.gz	NWYIJXLFICLJFS-SCZZXKLOSA-N	-1	0	307.310	0.849	20	30		DCEDRM
C[C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)[C@@H]1CNC(=O)[O-]	ZINC000825931238	603759069	/nfs/dbraw/zinc/75/90/69/603759069.db2.gz	IKYVXYJCFSSQGM-GHMZBOCLSA-N	-1	0	318.399	0.445	20	30		DCEDRM
Cc1n[nH]c(C)c1CCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830673891	604074618	/nfs/dbraw/zinc/07/46/18/604074618.db2.gz	ZWBNQCIGRQLRHN-LLVKDONJSA-N	-1	0	305.338	0.674	20	30		DCEDRM
Cn1ncc2cc(C(=O)N3CCN(C(=O)[O-])C[C@@H]3C#N)cnc21	ZINC000831059795	604078697	/nfs/dbraw/zinc/07/86/97/604078697.db2.gz	XTWKQTNIQVNVAM-NSHDSACASA-N	-1	0	314.305	0.296	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2c(c1)CCO2	ZINC000831086007	604084127	/nfs/dbraw/zinc/08/41/27/604084127.db2.gz	ASVMUWRGKOGPEX-GFCCVEGCSA-N	-1	0	301.302	0.949	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCOC1CCOCC1	ZINC000831081958	604088566	/nfs/dbraw/zinc/08/85/66/604088566.db2.gz	FAODMTMUHLIQBC-NSHDSACASA-N	-1	0	311.338	0.286	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)NCC[C@H](C)NC(=O)[O-])c1C#N	ZINC000830510723	604127008	/nfs/dbraw/zinc/12/70/08/604127008.db2.gz	BERNTLYPNHYBME-JTQLQIEISA-N	-1	0	318.333	0.968	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)C[C@H]1CCCCO1	ZINC000831091790	604244526	/nfs/dbraw/zinc/24/45/26/604244526.db2.gz	KWCXESHHKWNEOF-GHMZBOCLSA-N	-1	0	317.367	0.073	20	30		DCEDRM
N#Cc1ccc(F)cc1COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000831131964	604320935	/nfs/dbraw/zinc/32/09/35/604320935.db2.gz	HOFLGIVVJUGXDN-VXGBXAGGSA-N	-1	0	308.265	0.854	20	30		DCEDRM
N#Cc1ncn(CC(=O)N(CCC(=O)[O-])Cc2ccncc2)n1	ZINC000833078340	604335070	/nfs/dbraw/zinc/33/50/70/604335070.db2.gz	HMXJOBHUBGVYNB-UHFFFAOYSA-N	-1	0	314.305	0.048	20	30		DCEDRM
CC(C)N1C(=O)C(=O)N(Cc2cccc(C(=O)[O-])c2C#N)C1=O	ZINC000833497486	604551060	/nfs/dbraw/zinc/55/10/60/604551060.db2.gz	DERBSRAFJMLPRY-UHFFFAOYSA-N	-1	0	315.285	0.956	20	30		DCEDRM
COCCN1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1=O	ZINC000833724064	604576595	/nfs/dbraw/zinc/57/65/95/604576595.db2.gz	FLMXHCHBEZEPGB-HNNXBMFYSA-N	-1	0	317.345	0.475	20	30		DCEDRM
CCN(CCC#N)C(=O)CN1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000827111480	604606710	/nfs/dbraw/zinc/60/67/10/604606710.db2.gz	OQYWZVMYOOQXOV-RYUDHWBXSA-N	-1	0	312.370	0.105	20	30		DCEDRM
N#Cc1ccsc1C(=O)OCCc1cn(CC(=O)[O-])nn1	ZINC000833076947	604699566	/nfs/dbraw/zinc/69/95/66/604699566.db2.gz	UFPXRKWEXOEKAJ-UHFFFAOYSA-N	-1	0	306.303	0.695	20	30		DCEDRM
N#CC1(C(=O)OCCc2cn(CC(=O)[O-])nn2)CCCCC1	ZINC000833064230	604706358	/nfs/dbraw/zinc/70/63/58/604706358.db2.gz	GQUKKYXZZXOCFB-UHFFFAOYSA-N	-1	0	306.322	0.922	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)nc1	ZINC000823467038	604723869	/nfs/dbraw/zinc/72/38/69/604723869.db2.gz	OVVZPXDUIKAFHE-GXFFZTMASA-N	-1	0	303.318	0.560	20	30		DCEDRM
C=CCCOCC(=O)NC1(C(=O)[O-])CCC(C(=O)OC)CC1	ZINC000833373768	604740962	/nfs/dbraw/zinc/74/09/62/604740962.db2.gz	BYRNBMVIQNBJGY-UHFFFAOYSA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=CCn1c(C)nnc1SCCc1cn(CC(=O)[O-])nn1	ZINC000825705510	604779532	/nfs/dbraw/zinc/77/95/32/604779532.db2.gz	KGTPUFZNRCVCQX-UHFFFAOYSA-N	-1	0	308.367	0.783	20	30		DCEDRM
C[C@H](NC(=O)[O-])C(=O)OCC(=O)NCc1cccc(C#N)c1	ZINC000833740596	604962336	/nfs/dbraw/zinc/96/23/36/604962336.db2.gz	OWJOCJQAWLMCRG-VIFPVBQESA-N	-1	0	305.290	0.374	20	30		DCEDRM
C=CCc1cc(C(=O)NC[C@H](O)C(=O)[O-])cc(OC)c1OC	ZINC000833377826	605024057	/nfs/dbraw/zinc/02/40/57/605024057.db2.gz	BWNZTBPAIDGMED-NSHDSACASA-N	-1	0	309.318	0.608	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CC(C)(C)CC(=O)[O-]	ZINC000833376358	605034076	/nfs/dbraw/zinc/03/40/76/605034076.db2.gz	BUNORHBJZXELFD-VIFPVBQESA-N	-1	0	314.338	0.821	20	30		DCEDRM
CC(=NNCCOCC(F)(F)F)c1cn(CC(=O)[O-])nn1	ZINC000833386412	605117133	/nfs/dbraw/zinc/11/71/33/605117133.db2.gz	BSJFTCKQCSZPSV-UHFFFAOYSA-N	-1	0	309.248	0.255	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N(C)[C@@H](C)CNC(=O)[O-]	ZINC000829839144	605208392	/nfs/dbraw/zinc/20/83/92/605208392.db2.gz	CTCRLJOAPPAUDF-VIFPVBQESA-N	-1	0	318.333	0.920	20	30		DCEDRM
Cc1sc2ncc(C(=O)N(CC#N)CC(=O)[O-])c(=O)n2c1C	ZINC000833758290	605251706	/nfs/dbraw/zinc/25/17/06/605251706.db2.gz	ATBHVDXJIZUAFX-UHFFFAOYSA-N	-1	0	320.330	0.423	20	30		DCEDRM
N#Cc1ccc(COC(=O)CNC(=O)CNC(=O)[O-])c(F)c1	ZINC000833972254	605383227	/nfs/dbraw/zinc/38/32/27/605383227.db2.gz	XJVRGVIEUBXEQD-UHFFFAOYSA-N	-1	0	309.253	0.124	20	30		DCEDRM
N#Cc1cc(F)ccc1COC(=O)[C@H](CC(N)=O)NC(=O)[O-]	ZINC000833975603	605416775	/nfs/dbraw/zinc/41/67/75/605416775.db2.gz	ZHUDNPJVAZQCOQ-JTQLQIEISA-N	-1	0	309.253	0.252	20	30		DCEDRM
N#Cc1cc(COC(=O)[C@@H](CC(N)=O)NC(=O)[O-])ccc1F	ZINC000833970249	605416945	/nfs/dbraw/zinc/41/69/45/605416945.db2.gz	KPBZTDWKMONKKB-SNVBAGLBSA-N	-1	0	309.253	0.252	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C	ZINC000833366323	605418418	/nfs/dbraw/zinc/41/84/18/605418418.db2.gz	QZADZOXFAMITLZ-UHFFFAOYSA-N	-1	0	311.359	0.930	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CSCC#N	ZINC000833708261	605650686	/nfs/dbraw/zinc/65/06/86/605650686.db2.gz	PQLTWLNWNGOEGA-BDAKNGLRSA-N	-1	0	300.336	0.108	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000831097659	605662454	/nfs/dbraw/zinc/66/24/54/605662454.db2.gz	PMEKULQFQLARQA-LBPRGKRZSA-N	-1	0	308.338	0.801	20	30		DCEDRM
Cc1onc(CC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)c1C#N	ZINC000833936181	605695653	/nfs/dbraw/zinc/69/56/53/605695653.db2.gz	LFNZFRRDSZWTJT-SNVBAGLBSA-N	-1	0	306.322	0.903	20	30		DCEDRM
N#CC1(COC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCOCC1	ZINC000833964027	605781220	/nfs/dbraw/zinc/78/12/20/605781220.db2.gz	BKGIOXMCZUKWSR-LLVKDONJSA-N	-1	0	312.322	0.619	20	30		DCEDRM
COc1ccc(C#N)cc1COC(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000829269272	605813284	/nfs/dbraw/zinc/81/32/84/605813284.db2.gz	SERARTXYTOEFRY-LBPRGKRZSA-N	-1	0	320.301	0.989	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@H](NC(=O)[O-])C2)cc1	ZINC000833972883	605835666	/nfs/dbraw/zinc/83/56/66/605835666.db2.gz	IFJISHARLYVNGP-QWHCGFSZSA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#CCNC(=O)COC(=O)[C@@H]1c2ccccc2CCN1C(=O)[O-]	ZINC000831102494	605896636	/nfs/dbraw/zinc/89/66/36/605896636.db2.gz	LJMGZUCJHKIHMW-ZDUSSCGKSA-N	-1	0	317.301	0.447	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H](O)CCc1ccccc1	ZINC000833966555	605966545	/nfs/dbraw/zinc/96/65/45/605966545.db2.gz	LVQIXANRHMAHDP-KBPBESRZSA-N	-1	0	317.345	0.694	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCCN(C(=O)[O-])CC2)nc1	ZINC000833975790	605996891	/nfs/dbraw/zinc/99/68/91/605996891.db2.gz	QFGUOZPZZADZHR-UHFFFAOYSA-N	-1	0	303.322	0.577	20	30		DCEDRM
N#CCN1CCC(CNC(=O)c2cnc(NC(=O)[O-])cn2)CC1	ZINC000833966981	606057683	/nfs/dbraw/zinc/05/76/83/606057683.db2.gz	NMKVGHDQWSQZHX-UHFFFAOYSA-N	-1	0	318.337	0.532	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)c2cnc(NC(=O)[O-])cn2)C1	ZINC000833966173	606067184	/nfs/dbraw/zinc/06/71/84/606067184.db2.gz	ATQHDPTXXFRDAB-SNVBAGLBSA-N	-1	0	318.337	0.532	20	30		DCEDRM
CCc1nn(C)cc1CN=Nc1oc(C)nc1-c1nnn[n-]1	ZINC000825762748	608882587	/nfs/dbraw/zinc/88/25/87/608882587.db2.gz	HPCBHCMPVJCJHG-UHFFFAOYSA-N	-1	0	301.314	0.905	20	30		DCEDRM
CN(CC#N)[C@@H]1CCCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001027646928	660572017	/nfs/dbraw/zinc/57/20/17/660572017.db2.gz	AOVIBIMZEXKNMN-SNVBAGLBSA-N	-1	0	315.333	0.988	20	30		DCEDRM
C#CC1(O)CN(C(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])C1	ZINC000890524904	657577832	/nfs/dbraw/zinc/57/78/32/657577832.db2.gz	ITBIAROLNTWWOE-UHFFFAOYSA-N	-1	0	315.304	0.846	20	30		DCEDRM
CC(C)CCn1cc(C(=O)[N-]S(=O)(=O)CCCC#N)nn1	ZINC000181273726	665517245	/nfs/dbraw/zinc/51/72/45/665517245.db2.gz	PLDZBRZYXVVHNH-UHFFFAOYSA-N	-1	0	313.383	0.688	20	30		DCEDRM
Cc1nn(C)c2ncc(C(=O)[N-]S(=O)(=O)N3CCCC3)cc12	ZINC000052793282	657980632	/nfs/dbraw/zinc/98/06/32/657980632.db2.gz	WTCGCOUWADACEM-UHFFFAOYSA-N	-1	0	323.378	0.922	20	30		DCEDRM
C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001021566408	658033235	/nfs/dbraw/zinc/03/32/35/658033235.db2.gz	JFBNOHXJNINPCD-CHWSQXEVSA-N	-1	0	302.378	0.983	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H]1NCC#N	ZINC000939525648	665596636	/nfs/dbraw/zinc/59/66/36/665596636.db2.gz	VHUOUDSFODYLCH-PSASIEDQSA-N	-1	0	301.306	0.502	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(NC(C)=O)ccc1C	ZINC000317650074	658891188	/nfs/dbraw/zinc/89/11/88/658891188.db2.gz	LLHTXBKFBFREGG-UHFFFAOYSA-N	-1	0	324.358	0.662	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1csnc1Cl	ZINC000893273295	659242881	/nfs/dbraw/zinc/24/28/81/659242881.db2.gz	DTUKHMUYKWXPJQ-UHFFFAOYSA-N	-1	0	310.809	0.968	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)N(C)CC(F)(F)F	ZINC000194993563	659525817	/nfs/dbraw/zinc/52/58/17/659525817.db2.gz	JQXZLJZINUWDHY-QMMMGPOBSA-N	-1	0	315.317	0.619	20	30		DCEDRM
C#CC[N@H+](C)CCCNC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000328267212	659532652	/nfs/dbraw/zinc/53/26/52/659532652.db2.gz	MUTIWLZZRNHWNG-OAHLLOKOSA-N	-1	0	317.389	0.937	20	30		DCEDRM
CC1(C)CN(CC#N)C[C@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000977470980	659727257	/nfs/dbraw/zinc/72/72/57/659727257.db2.gz	QPONFCRSMNVMMY-LLVKDONJSA-N	-1	0	315.333	0.892	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)c1[O-]	ZINC000982738903	661639379	/nfs/dbraw/zinc/63/93/79/661639379.db2.gz	BQASXJHVVDSCRZ-LBPRGKRZSA-N	-1	0	316.361	0.415	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc([S@](C)=O)cc1	ZINC000788203281	661649848	/nfs/dbraw/zinc/64/98/48/661649848.db2.gz	PFUVMLRMVMXLCB-SFHVURJKSA-N	-1	0	301.389	0.599	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)N(C)C)cc1	ZINC000728411159	662391846	/nfs/dbraw/zinc/39/18/46/662391846.db2.gz	FHXVTKNTVZIQOM-CYBMUJFWSA-N	-1	0	317.345	0.473	20	30		DCEDRM
N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCCC(=O)[O-])C2)nc1	ZINC000263461015	662691961	/nfs/dbraw/zinc/69/19/61/662691961.db2.gz	ISWIBYWDDRAFDA-GFCCVEGCSA-N	-1	0	318.333	0.981	20	30		DCEDRM
N#CCN[C@H]1CCCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001000686494	665909859	/nfs/dbraw/zinc/90/98/59/665909859.db2.gz	HSWROPXKMLBLFC-VIFPVBQESA-N	-1	0	301.306	0.646	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)N1CCc2sccc2C1	ZINC000729898729	662912236	/nfs/dbraw/zinc/91/22/36/662912236.db2.gz	HJDLBNLBAVJLID-UHFFFAOYSA-N	-1	0	316.404	0.670	20	30		DCEDRM
C#CC1(O)CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CC1	ZINC000899118588	663124298	/nfs/dbraw/zinc/12/42/98/663124298.db2.gz	FQVXMMNTUDCJKU-JTQLQIEISA-N	-1	0	320.311	0.676	20	30		DCEDRM
CCn1cc(S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)cn1	ZINC000899930221	663201689	/nfs/dbraw/zinc/20/16/89/663201689.db2.gz	PNAIBLWGRQXFJO-LLVKDONJSA-N	-1	0	311.363	0.392	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000990857965	663271178	/nfs/dbraw/zinc/27/11/78/663271178.db2.gz	CWKQNWGPYKGWPK-OAHLLOKOSA-N	-1	0	306.366	0.967	20	30		DCEDRM
C=CCOC[C@H](N[C@H]1C[C@@H](NC(=O)[O-])C12CCC2)C(=O)OC	ZINC000904237930	663506200	/nfs/dbraw/zinc/50/62/00/663506200.db2.gz	XLGYZWWOVCOTHW-SDDRHHMPSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=CCOCCCNC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000905546743	663562641	/nfs/dbraw/zinc/56/26/41/663562641.db2.gz	WGHPPQKUGHCSGA-NWDGAFQWSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@]1(OC)CCSC1)C(=O)[O-]	ZINC000905605611	663565915	/nfs/dbraw/zinc/56/59/15/663565915.db2.gz	SHJRNXKUVCYNDX-GXFFZTMASA-N	-1	0	318.395	0.464	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])sc2C)C1	ZINC000907126978	663669483	/nfs/dbraw/zinc/66/94/83/663669483.db2.gz	IZEVFZXVGPBHIS-UHFFFAOYSA-N	-1	0	301.345	0.123	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)NC[C@H](C)CN1CCOCC1)C(=O)[O-]	ZINC000908914774	663774066	/nfs/dbraw/zinc/77/40/66/663774066.db2.gz	ZISFBRLDWOPZHK-QWHCGFSZSA-N	-1	0	313.398	0.673	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCOC2(CCOCC2)C1	ZINC000909160992	663783289	/nfs/dbraw/zinc/78/32/89/663783289.db2.gz	ZUIRWWLTMNTAMT-GFCCVEGCSA-N	-1	0	312.366	0.997	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000909239177	663788677	/nfs/dbraw/zinc/78/86/77/663788677.db2.gz	SGHZPFIXVSDMKT-RNJOBUHISA-N	-1	0	312.366	0.851	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCSC[C@H]1C(=O)[O-]	ZINC000909238595	663788765	/nfs/dbraw/zinc/78/87/65/663788765.db2.gz	QJBWYYAOUYIBDS-DCAQKATOSA-N	-1	0	300.380	0.789	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C1(COC)CCOCC1)C(=O)[O-]	ZINC000909771025	663800314	/nfs/dbraw/zinc/80/03/14/663800314.db2.gz	KUKNYRUMNPGRRI-NSHDSACASA-N	-1	0	301.339	0.202	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cn(C)nc1C(F)F)C(=O)[O-]	ZINC000909769590	663800426	/nfs/dbraw/zinc/80/04/26/663800426.db2.gz	AJIAQVBBJIXVIH-MRVPVSSYSA-N	-1	0	303.265	0.743	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1C[C@@]1(C)Br)C(=O)[O-]	ZINC000909771446	663800449	/nfs/dbraw/zinc/80/04/49/663800449.db2.gz	PNVSIKJTKAQUQW-VHSKPIJISA-N	-1	0	306.156	0.932	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCc2cnn(C)c2C1)C(=O)[O-]	ZINC000909772681	663800865	/nfs/dbraw/zinc/80/08/65/663800865.db2.gz	UVTAGOKZQWXWRV-CMPLNLGQSA-N	-1	0	307.350	0.297	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2	ZINC000909794093	663806280	/nfs/dbraw/zinc/80/62/80/663806280.db2.gz	OYURUSWLSHKFDE-QMTHXVAHSA-N	-1	0	303.314	0.902	20	30		DCEDRM
C#CC[C@H](NC(=O)Cn1c2ccccc2n(CC)c1=O)C(=O)[O-]	ZINC000910052259	663837555	/nfs/dbraw/zinc/83/75/55/663837555.db2.gz	QMFRUYGNHIFORQ-NSHDSACASA-N	-1	0	315.329	0.416	20	30		DCEDRM
C#CC[C@H](NC(=O)C(=O)NCCCc1ccccc1)C(=O)[O-]	ZINC000910054917	663837816	/nfs/dbraw/zinc/83/78/16/663837816.db2.gz	UPKWVPSFUDIRNA-ZDUSSCGKSA-N	-1	0	302.330	0.328	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H](C(CC)CC)N1CCOCC1)C(=O)[O-]	ZINC000910050412	663840867	/nfs/dbraw/zinc/84/08/67/663840867.db2.gz	JUJXAWVSSGMGIN-KGLIPLIRSA-N	-1	0	310.394	0.716	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@]1(c2ccc(OC)cc2)C[C@H](O)C1)C(=O)[O-]	ZINC000910050347	663841152	/nfs/dbraw/zinc/84/11/52/663841152.db2.gz	IJKYQZLNOJXKLV-SUYBPPKGSA-N	-1	0	317.341	0.680	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F	ZINC000910352139	663876850	/nfs/dbraw/zinc/87/68/50/663876850.db2.gz	IQEPQMKKWVVQLC-SFYZADRCSA-N	-1	0	313.297	0.890	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000911330370	664029599	/nfs/dbraw/zinc/02/95/99/664029599.db2.gz	JTLVDNMJQMLUIJ-QWHCGFSZSA-N	-1	0	324.377	0.265	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000911349087	664033808	/nfs/dbraw/zinc/03/38/08/664033808.db2.gz	KXFJORDDEFNGOR-WCQYABFASA-N	-1	0	305.330	0.790	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cc1	ZINC000911641410	664091093	/nfs/dbraw/zinc/09/10/93/664091093.db2.gz	UWTMREGUWCIWLG-KBPBESRZSA-N	-1	0	303.314	0.749	20	30		DCEDRM
CC(=NNCCS(C)(=O)=O)c1cc(C(=O)[O-])ccc1O	ZINC000757465805	664679113	/nfs/dbraw/zinc/67/91/13/664679113.db2.gz	XQQUTEMPTWWRNF-UHFFFAOYSA-N	-1	0	300.336	0.449	20	30		DCEDRM
N#CCc1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1	ZINC000730517436	664784353	/nfs/dbraw/zinc/78/43/53/664784353.db2.gz	XEYDATMXKCJCOK-UHFFFAOYSA-N	-1	0	308.301	0.776	20	30		DCEDRM
NS(=O)(=O)c1ccc(N=NCc2ccccc2C(=O)[O-])nc1	ZINC000914695763	664814614	/nfs/dbraw/zinc/81/46/14/664814614.db2.gz	HJNLOOHAGFDNRI-UHFFFAOYSA-N	-1	0	320.330	0.873	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1	ZINC000731855675	664886093	/nfs/dbraw/zinc/88/60/93/664886093.db2.gz	ZRSYGTZTDWPQBM-LBPRGKRZSA-N	-1	0	313.321	0.083	20	30		DCEDRM
NC(=O)CNC(=S)NN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000731929146	664892523	/nfs/dbraw/zinc/89/25/23/664892523.db2.gz	BZJIHRVESXOVDI-UHFFFAOYSA-N	-1	0	321.189	0.982	20	30		DCEDRM
Cc1cccc(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1	ZINC000732911019	664974519	/nfs/dbraw/zinc/97/45/19/664974519.db2.gz	XCPZDYKXRBJITB-ZDUSSCGKSA-N	-1	0	320.370	0.575	20	30		DCEDRM
Cc1ncc(CO)c(/C=N/CC(=O)NCC(F)(F)F)c1O	ZINC000915981340	665054884	/nfs/dbraw/zinc/05/48/84/665054884.db2.gz	QHXLNELBLFCCRF-HQYXKAPLSA-N	-1	0	305.256	0.685	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(Cn2cncn2)cc1	ZINC000916917335	665100923	/nfs/dbraw/zinc/10/09/23/665100923.db2.gz	ITPPAEALYCZQEU-AWEZNQCLSA-N	-1	0	309.329	0.951	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(S(=O)(=O)N(C)C)c1	ZINC000917002349	665108195	/nfs/dbraw/zinc/10/81/95/665108195.db2.gz	LWMZTAJDNMGRKH-LLVKDONJSA-N	-1	0	309.347	0.005	20	30		DCEDRM
O=C([O-])COc1cccc(C=NN[C@H]2CCS(=O)(=O)C2)c1	ZINC000733201588	666346881	/nfs/dbraw/zinc/34/68/81/666346881.db2.gz	VUKYITHBZORMLM-NSHDSACASA-N	-1	0	312.347	0.261	20	30		DCEDRM
CON=Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc1	ZINC000733723793	666808698	/nfs/dbraw/zinc/80/86/98/666808698.db2.gz	WHPJLHPVSGDCGI-LBPRGKRZSA-N	-1	0	312.347	0.515	20	30		DCEDRM
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(=O)[nH][n-]2)c1	ZINC000733810064	666818191	/nfs/dbraw/zinc/81/81/91/666818191.db2.gz	RURSFIAGXRBMTQ-NSHDSACASA-N	-1	0	300.318	0.860	20	30		DCEDRM
C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001033981177	666884814	/nfs/dbraw/zinc/88/48/14/666884814.db2.gz	DORJFFQQZRZDSI-LBPRGKRZSA-N	-1	0	313.361	0.192	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CCC(NCC#N)CC2)cc1=O	ZINC000996775588	666900448	/nfs/dbraw/zinc/90/04/48/666900448.db2.gz	UAIDIJICAVNJNP-UHFFFAOYSA-N	-1	0	319.409	0.479	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)nn1	ZINC000861141519	666902308	/nfs/dbraw/zinc/90/23/08/666902308.db2.gz	XWTZZZPIJXIPKS-VIFPVBQESA-N	-1	0	314.367	0.091	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)C#CC(C)C)c1[O-]	ZINC001744911592	1157694252	/nfs/dbraw/zinc/69/42/52/1157694252.db2.gz	AOTGYDZUOWWWMK-SNVBAGLBSA-N	-1	0	306.366	0.708	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn2ccccc12	ZINC000735208682	666970377	/nfs/dbraw/zinc/97/03/77/666970377.db2.gz	NLEFYABIMWPGBR-LLVKDONJSA-N	-1	0	300.318	0.809	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C	ZINC000862133217	667021367	/nfs/dbraw/zinc/02/13/67/667021367.db2.gz	VDEIPIIWEWACBT-DRZSPHRISA-N	-1	0	322.365	0.331	20	30		DCEDRM
CC(C)OC[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000863419241	667141549	/nfs/dbraw/zinc/14/15/49/667141549.db2.gz	ZIWCPSPEFDDYQB-LBPRGKRZSA-N	-1	0	312.347	0.715	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)[O-]	ZINC000863419909	667141885	/nfs/dbraw/zinc/14/18/85/667141885.db2.gz	HRENEJHEILNWIE-NXEZZACHSA-N	-1	0	311.787	0.928	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000863799877	667184054	/nfs/dbraw/zinc/18/40/54/667184054.db2.gz	RZIMZDNJOQZOQI-SECBINFHSA-N	-1	0	316.317	0.513	20	30		DCEDRM
C=CCC[C@@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-]	ZINC000864142955	667219371	/nfs/dbraw/zinc/21/93/71/667219371.db2.gz	XKGYPWNPAPXIJM-HLTSFMKQSA-N	-1	0	311.256	0.868	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cccc(F)c1OC)C(=O)[O-]	ZINC000864433796	667254510	/nfs/dbraw/zinc/25/45/10/667254510.db2.gz	RSARIEJTGPEQAX-SNVBAGLBSA-N	-1	0	315.322	0.979	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(S(C)(=O)=O)cc(C)c1C	ZINC000136790750	667733807	/nfs/dbraw/zinc/73/38/07/667733807.db2.gz	UZXMSXHVKIMZLF-GFCCVEGCSA-N	-1	0	308.359	0.775	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCn2ccccc2=O)CC1	ZINC000870833715	667764946	/nfs/dbraw/zinc/76/49/46/667764946.db2.gz	AZCIECVLQWJDSU-UHFFFAOYSA-N	-1	0	310.375	0.793	20	30		DCEDRM
CC(C)CCC(=O)NCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123345707	667765471	/nfs/dbraw/zinc/76/54/71/667765471.db2.gz	KUJDDBBKWSBHBZ-NSHDSACASA-N	-1	0	304.350	0.864	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)n(C)n1	ZINC000744023956	667819227	/nfs/dbraw/zinc/81/92/27/667819227.db2.gz	NAQORPMOQHWJND-LLVKDONJSA-N	-1	0	304.350	0.773	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1	ZINC000871940368	667858713	/nfs/dbraw/zinc/85/87/13/667858713.db2.gz	SFGNFVSVTHUWFZ-UHFFFAOYSA-N	-1	0	311.359	0.875	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)[C@H]1CCCO1	ZINC000871943990	667858758	/nfs/dbraw/zinc/85/87/58/667858758.db2.gz	XBDVCQMMGOIBJR-ZIAGYGMSSA-N	-1	0	323.370	0.773	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CCO[C@@](C)(C#N)C2)c1	ZINC000887690135	667901553	/nfs/dbraw/zinc/90/15/53/667901553.db2.gz	HCDSSQYLCRHBCD-NYHFZMIOSA-N	-1	0	322.386	0.944	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000753952233	668038762	/nfs/dbraw/zinc/03/87/62/668038762.db2.gz	SKHQKCQJGFNWQB-UHFFFAOYSA-N	-1	0	304.349	0.701	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)c1cc(C(=O)[O-])ccc1O	ZINC000757465440	668136368	/nfs/dbraw/zinc/13/63/68/668136368.db2.gz	PNFRWDLYFPOZSF-UHFFFAOYSA-N	-1	0	324.362	0.025	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)Cn1[n-]cc3c(=O)ncnc1-3)CC2	ZINC000757513499	668139783	/nfs/dbraw/zinc/13/97/83/668139783.db2.gz	JKYOTSPTNBEDKM-UHFFFAOYSA-N	-1	0	320.312	0.532	20	30		DCEDRM
C#C[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@@H]1CCCO1	ZINC000759204411	668210221	/nfs/dbraw/zinc/21/02/21/668210221.db2.gz	XJJVOUKBWFFDJX-IUCAKERBSA-N	-1	0	306.284	0.741	20	30		DCEDRM
N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000761165297	668310024	/nfs/dbraw/zinc/31/00/24/668310024.db2.gz	HAUNBXIFKKZARK-CQSZACIVSA-N	-1	0	322.386	0.920	20	30		DCEDRM
C[C@H](C#N)CNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000875477047	668328034	/nfs/dbraw/zinc/32/80/34/668328034.db2.gz	TYYASNMMQUAISB-KCJUWKMLSA-N	-1	0	306.288	0.999	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)C(=O)N(C)C2=O	ZINC000762050510	668345033	/nfs/dbraw/zinc/34/50/33/668345033.db2.gz	PKJSTNRSCLSKSC-UHFFFAOYSA-N	-1	0	302.286	0.625	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nccn2cc(C)nc12	ZINC000763933426	668426393	/nfs/dbraw/zinc/42/63/93/668426393.db2.gz	VGBSIRUAXNRBTG-SNVBAGLBSA-N	-1	0	301.306	0.123	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cncc(COC)c1	ZINC000765587086	668500793	/nfs/dbraw/zinc/50/07/93/668500793.db2.gz	LCBBZVUCNDDFTK-CYBMUJFWSA-N	-1	0	305.334	0.703	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1ccnn1C)OCC	ZINC000765654239	668504197	/nfs/dbraw/zinc/50/41/97/668504197.db2.gz	HYGANXAMWWVUDI-SNVBAGLBSA-N	-1	0	301.368	0.596	20	30		DCEDRM
C#CCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000768195677	668602107	/nfs/dbraw/zinc/60/21/07/668602107.db2.gz	CPGMLDSGPWJCHT-UHFFFAOYSA-N	-1	0	310.375	0.786	20	30		DCEDRM
COc1cc(C(=O)/C=C\c2cn(CC(=O)[O-])nn2)ccc1O	ZINC000768846850	668624725	/nfs/dbraw/zinc/62/47/25/668624725.db2.gz	CBRBABCIAQTTON-HYXAFXHYSA-N	-1	0	303.274	0.973	20	30		DCEDRM
C#CC[C@@H](NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])c1ccccc1	ZINC000929034011	668646063	/nfs/dbraw/zinc/64/60/63/668646063.db2.gz	PKMHTFGVXIWLSH-MGPQQGTHSA-N	-1	0	302.330	0.980	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H](OCC)[C@@]12CCCO2	ZINC000929052863	668647943	/nfs/dbraw/zinc/64/79/43/668647943.db2.gz	RTSXKNVBVNEOJK-LALPHHSUSA-N	-1	0	312.366	0.995	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)C(C)(C)C(N)=O)n1	ZINC000769676646	668656821	/nfs/dbraw/zinc/65/68/21/668656821.db2.gz	JXCKYTBRIJVVGQ-QMMMGPOBSA-N	-1	0	309.347	0.683	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(=O)[n-]c(OC)n1	ZINC000770520800	668698675	/nfs/dbraw/zinc/69/86/75/668698675.db2.gz	YDYIRYWNGQUWQZ-VIFPVBQESA-N	-1	0	322.321	0.356	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCO1	ZINC000771055931	668728842	/nfs/dbraw/zinc/72/88/42/668728842.db2.gz	HGGZLSANNGWMPD-WDEREUQCSA-N	-1	0	300.380	0.941	20	30		DCEDRM
COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771073687	668730239	/nfs/dbraw/zinc/73/02/39/668730239.db2.gz	LWWUVNWTAMOMTO-VIFPVBQESA-N	-1	0	302.352	0.325	20	30		DCEDRM
Cn1ncc(C(=O)Nc2cc(C#N)ccc2[O-])c1-n1cnnc1	ZINC000774083448	668821379	/nfs/dbraw/zinc/82/13/79/668821379.db2.gz	WLSFGDMAZRIRTJ-UHFFFAOYSA-N	-1	0	309.289	0.830	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000775251769	668859895	/nfs/dbraw/zinc/85/98/95/668859895.db2.gz	XZVBAANGEZOKRS-UHFFFAOYSA-N	-1	0	323.330	0.894	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000775308946	668860336	/nfs/dbraw/zinc/86/03/36/668860336.db2.gz	ONJNAXAAJKHLBS-UHFFFAOYSA-N	-1	0	314.344	0.477	20	30		DCEDRM
C#C[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@@H]1CCCO1	ZINC000775325698	668860594	/nfs/dbraw/zinc/86/05/94/668860594.db2.gz	CAQYHYRXKDHZBP-MNOVXSKESA-N	-1	0	314.301	0.347	20	30		DCEDRM
Cn1ncc2cc(C(=O)[N-]S(=O)(=O)CCCC#N)cnc21	ZINC000776121201	668871152	/nfs/dbraw/zinc/87/11/52/668871152.db2.gz	ASXRENXXELOVNK-UHFFFAOYSA-N	-1	0	307.335	0.332	20	30		DCEDRM
Cc1csc(=O)n1CCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776119125	668871204	/nfs/dbraw/zinc/87/12/04/668871204.db2.gz	DUYYQWZAOHROGP-UHFFFAOYSA-N	-1	0	317.392	0.358	20	30		DCEDRM
Cn1c(C(=O)[N-]S(=O)(=O)CCCC#N)ccc1[N+](=O)[O-]	ZINC000776117282	668871206	/nfs/dbraw/zinc/87/12/06/668871206.db2.gz	MXLMTEBAGUJVRK-UHFFFAOYSA-N	-1	0	300.296	0.297	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CN1CCCCCCC1=O	ZINC000776117390	668871233	/nfs/dbraw/zinc/87/12/33/668871233.db2.gz	PGZHWHRKLNNYOX-UHFFFAOYSA-N	-1	0	315.395	0.529	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCO2	ZINC000776123073	668871446	/nfs/dbraw/zinc/87/14/46/668871446.db2.gz	KYOQEUTUUQEARS-UHFFFAOYSA-N	-1	0	310.331	0.708	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)COC1CCOCC1	ZINC000776145698	668871777	/nfs/dbraw/zinc/87/17/77/668871777.db2.gz	GJJSMHILYKQIGJ-UHFFFAOYSA-N	-1	0	304.368	0.178	20	30		DCEDRM
COC(=O)c1ccccc1NN=Cc1cn(CC(=O)[O-])nn1	ZINC000776189402	668872411	/nfs/dbraw/zinc/87/24/11/668872411.db2.gz	IJUOTQCTDKTHDV-UHFFFAOYSA-N	-1	0	303.278	0.595	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000776587152	668878567	/nfs/dbraw/zinc/87/85/67/668878567.db2.gz	ICJBRODYMMATGI-MRVPVSSYSA-N	-1	0	318.332	0.801	20	30		DCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)c1cccc(F)c1C#N	ZINC000778728177	668903362	/nfs/dbraw/zinc/90/33/62/668903362.db2.gz	FHDDNTVXEMMKQW-UHFFFAOYSA-N	-1	0	308.294	0.550	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1Cl	ZINC000778769377	668903680	/nfs/dbraw/zinc/90/36/80/668903680.db2.gz	MJNLCOFHQLRXCT-NSHDSACASA-N	-1	0	318.724	0.938	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000779196360	668908354	/nfs/dbraw/zinc/90/83/54/668908354.db2.gz	BRJVMBOFCZCJFY-VIFPVBQESA-N	-1	0	317.257	0.948	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CCCC1	ZINC000780479652	668989088	/nfs/dbraw/zinc/98/90/88/668989088.db2.gz	KDUYBMRMYNZNDK-TUAOUCFPSA-N	-1	0	312.391	0.941	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cc1	ZINC000780611798	668999753	/nfs/dbraw/zinc/99/97/53/668999753.db2.gz	HNYUGERZMRTXBN-AWEZNQCLSA-N	-1	0	323.370	0.937	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000783137134	669145039	/nfs/dbraw/zinc/14/50/39/669145039.db2.gz	PZAGHBVCPUPCLS-LBPRGKRZSA-N	-1	0	301.368	0.454	20	30		DCEDRM
CCC[C@@H](O)CC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783705592	669169290	/nfs/dbraw/zinc/16/92/90/669169290.db2.gz	BNGIQXRZIPBIRG-LLVKDONJSA-N	-1	0	304.306	0.901	20	30		DCEDRM
COc1cc(C=NN2C(=O)CNC2=O)ccc1OCCC(=O)[O-]	ZINC000783862890	669179277	/nfs/dbraw/zinc/17/92/77/669179277.db2.gz	HBVYGQAUZBQZHD-UHFFFAOYSA-N	-1	0	321.289	0.434	20	30		DCEDRM
C[C@]1(C(=O)OCc2cc(=O)n3[n-]cc(C#N)c3n2)CCCO1	ZINC000784086477	669189152	/nfs/dbraw/zinc/18/91/52/669189152.db2.gz	VJWCVONCORWMPJ-CQSZACIVSA-N	-1	0	302.290	0.919	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(N)=O)C1	ZINC000786975496	669345207	/nfs/dbraw/zinc/34/52/07/669345207.db2.gz	QGQMZBPSLGXIQC-VHSXEESVSA-N	-1	0	301.368	0.028	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C)C(=O)[O-]	ZINC000787936611	669413938	/nfs/dbraw/zinc/41/39/38/669413938.db2.gz	TXFWRDWVQVRNGU-LLVKDONJSA-N	-1	0	310.331	0.577	20	30		DCEDRM
Cc1nnc(NN=Cc2ccc3c(c2)NC(=O)CO3)[n-]c1=O	ZINC000788703010	669455823	/nfs/dbraw/zinc/45/58/23/669455823.db2.gz	MBMKEZNUBNSNDY-UHFFFAOYSA-N	-1	0	300.278	0.663	20	30		DCEDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)CCCCCC#N	ZINC000805882520	669469232	/nfs/dbraw/zinc/46/92/32/669469232.db2.gz	HMQGXWNXMFEJOD-UHFFFAOYSA-N	-1	0	304.368	0.860	20	30		DCEDRM
C#C[C@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1	ZINC000882234355	669482259	/nfs/dbraw/zinc/48/22/59/669482259.db2.gz	ZFJFACHPSAFMSS-MLCYQJTMSA-N	-1	0	308.425	0.245	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccnn1CC(F)F	ZINC000789467757	669497380	/nfs/dbraw/zinc/49/73/80/669497380.db2.gz	AEEODDPKCDTTBT-UHFFFAOYSA-N	-1	0	306.294	0.512	20	30		DCEDRM
COCCO[N-]C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000789824306	669512251	/nfs/dbraw/zinc/51/22/51/669512251.db2.gz	WBHXNOBHXXXAFT-JTQLQIEISA-N	-1	0	307.306	0.610	20	30		DCEDRM
COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810721736	669555703	/nfs/dbraw/zinc/55/57/03/669555703.db2.gz	GEIBVKLSFCFTDI-UHFFFAOYSA-N	-1	0	311.363	0.828	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnc(-n2ccnc2)c1	ZINC000791107869	669594320	/nfs/dbraw/zinc/59/43/20/669594320.db2.gz	MANPSBQUGWIMTK-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)cc1C	ZINC000791111478	669594577	/nfs/dbraw/zinc/59/45/77/669594577.db2.gz	SRYRCKWOXMWXGH-UHFFFAOYSA-N	-1	0	318.358	0.659	20	30		DCEDRM
C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194164	669706789	/nfs/dbraw/zinc/70/67/89/669706789.db2.gz	GGVDCPJYXZYGQG-VIFPVBQESA-N	-1	0	315.395	0.287	20	30		DCEDRM
COc1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c(C)nn1C	ZINC000793201338	669707442	/nfs/dbraw/zinc/70/74/42/669707442.db2.gz	LEJKICYAPNWOKJ-UHFFFAOYSA-N	-1	0	312.351	0.101	20	30		DCEDRM
C#C[C@@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)[C@H]1CCCO1	ZINC000935459434	669725748	/nfs/dbraw/zinc/72/57/48/669725748.db2.gz	NKHCEDYMSYJEAE-ZIAGYGMSSA-N	-1	0	305.378	0.672	20	30		DCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccoc1CC(N)=O	ZINC000796778899	669942096	/nfs/dbraw/zinc/94/20/96/669942096.db2.gz	LQLOTJCXEBPKMZ-NSHDSACASA-N	-1	0	305.334	0.936	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnn3c2OCCC3)CCC1	ZINC000797097312	669956374	/nfs/dbraw/zinc/95/63/74/669956374.db2.gz	KRBFWKAESLUTJL-UHFFFAOYSA-N	-1	0	324.362	0.419	20	30		DCEDRM
Cn1ccc(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)n1	ZINC000797095933	669956405	/nfs/dbraw/zinc/95/64/05/669956405.db2.gz	BVNDARGCAQMGPH-UHFFFAOYSA-N	-1	0	310.379	0.493	20	30		DCEDRM
Cc1cnc(COCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)o1	ZINC000797225125	669960234	/nfs/dbraw/zinc/96/02/34/669960234.db2.gz	KVEQBQQZJKWDOD-UHFFFAOYSA-N	-1	0	315.351	0.495	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2occ3c2CCOC3)CC1	ZINC000797277065	669961905	/nfs/dbraw/zinc/96/19/05/669961905.db2.gz	ZKOCMBUZHUYWKO-UHFFFAOYSA-N	-1	0	310.331	0.716	20	30		DCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000797288882	669963460	/nfs/dbraw/zinc/96/34/60/669963460.db2.gz	CFXCCRLPHHJAOY-ZCFIWIBFSA-N	-1	0	302.333	0.241	20	30		DCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000798200367	669991557	/nfs/dbraw/zinc/99/15/57/669991557.db2.gz	LKEIYOHABBEUMJ-SECBINFHSA-N	-1	0	310.331	0.374	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(Cc2ccccc2)nn1	ZINC000798203089	669991987	/nfs/dbraw/zinc/99/19/87/669991987.db2.gz	SJCGDKJRWMTJHD-UHFFFAOYSA-N	-1	0	318.358	0.409	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1nnc(-c2ccc(C)cc2)n1	ZINC000191261002	669997684	/nfs/dbraw/zinc/99/76/84/669997684.db2.gz	VADOFLYCJVFEND-UHFFFAOYSA-N	-1	0	315.333	0.748	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2cc(C(F)(F)F)[nH]n2)c1=O	ZINC000799469369	670059946	/nfs/dbraw/zinc/05/99/46/670059946.db2.gz	NNCDUNYAHYFROT-UHFFFAOYSA-N	-1	0	304.257	0.860	20	30		DCEDRM
C=C1CCC(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1	ZINC000950022603	670483686	/nfs/dbraw/zinc/48/36/86/670483686.db2.gz	DSYJOVUBZFXRSQ-UHFFFAOYSA-N	-1	0	305.382	0.901	20	30		DCEDRM
Cc1ccnc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)c1	ZINC000810584960	670490649	/nfs/dbraw/zinc/49/06/49/670490649.db2.gz	YBKZRXWSBLKEHE-UHFFFAOYSA-N	-1	0	302.315	0.775	20	30		DCEDRM
N#CCOc1cccc(CC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1	ZINC000810585432	670491046	/nfs/dbraw/zinc/49/10/46/670491046.db2.gz	UNMQSWOXZXULQD-CYBMUJFWSA-N	-1	0	324.358	0.366	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(Cl)nc(NC)c1	ZINC000810771421	670496635	/nfs/dbraw/zinc/49/66/35/670496635.db2.gz	KIOQUYUSFYKEMM-UHFFFAOYSA-N	-1	0	301.755	0.860	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)nc2c1c(C)nn2C	ZINC000810771663	670496739	/nfs/dbraw/zinc/49/67/39/670496739.db2.gz	MISCGNCCJVHHOR-UHFFFAOYSA-N	-1	0	320.374	0.668	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(=O)OC)C1	ZINC000810774547	670496938	/nfs/dbraw/zinc/49/69/38/670496938.db2.gz	JXGDMMOWWSWUKA-MNOVXSKESA-N	-1	0	301.364	0.435	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(C2OCCO2)c1	ZINC000810777044	670497181	/nfs/dbraw/zinc/49/71/81/670497181.db2.gz	SNMFWERFKNWNKV-UHFFFAOYSA-N	-1	0	309.343	0.815	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1cccc2c1OCO2	ZINC000810778137	670497209	/nfs/dbraw/zinc/49/72/09/670497209.db2.gz	VOOMRGOGXGBTLB-UHFFFAOYSA-N	-1	0	309.343	0.817	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnn1-c1ccccc1	ZINC000810776712	670497249	/nfs/dbraw/zinc/49/72/49/670497249.db2.gz	FIWKQGMKUKCBGS-UHFFFAOYSA-N	-1	0	303.343	0.955	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(Cn2cncn2)cc1	ZINC000810778480	670497412	/nfs/dbraw/zinc/49/74/12/670497412.db2.gz	AFILMGNGDCCOSP-UHFFFAOYSA-N	-1	0	318.358	0.409	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1CCC(OCCOC)CC1	ZINC000810780490	670497426	/nfs/dbraw/zinc/49/74/26/670497426.db2.gz	FFXPQFGUZGZSRP-UHFFFAOYSA-N	-1	0	317.407	0.678	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1ccc2c(c1)OCCO2	ZINC000810778624	670497445	/nfs/dbraw/zinc/49/74/45/670497445.db2.gz	GEZLKHBRZLFNKJ-UHFFFAOYSA-N	-1	0	323.370	0.860	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nnn(CC2CCCC2)c1C	ZINC000810778253	670497527	/nfs/dbraw/zinc/49/75/27/670497527.db2.gz	ZIWSXGUBACPZCN-UHFFFAOYSA-N	-1	0	324.406	0.860	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)N1CCc2ccccc2C1	ZINC000810778345	670497568	/nfs/dbraw/zinc/49/75/68/670497568.db2.gz	UQZZTOWTZUHWAW-CYBMUJFWSA-N	-1	0	320.414	0.903	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(OCCOC)cc1	ZINC000810782815	670497667	/nfs/dbraw/zinc/49/76/67/670497667.db2.gz	YRMRROYSKHOUGM-UHFFFAOYSA-N	-1	0	311.359	0.795	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1	ZINC000810782195	670497716	/nfs/dbraw/zinc/49/77/16/670497716.db2.gz	ZLYAJIIHMCTCIG-UHFFFAOYSA-N	-1	0	323.374	0.001	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H]1C(=O)Nc2ccccc21	ZINC000810782269	670497771	/nfs/dbraw/zinc/49/77/71/670497771.db2.gz	KHDSJJFUFVPRLJ-NSHDSACASA-N	-1	0	306.343	0.582	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1ccccc1C(=O)OC	ZINC000810784321	670498003	/nfs/dbraw/zinc/49/80/03/670498003.db2.gz	ACQAZIRJUMAWSG-UHFFFAOYSA-N	-1	0	323.370	0.875	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCOc1ccc(OC)cc1	ZINC000810783472	670498081	/nfs/dbraw/zinc/49/80/81/670498081.db2.gz	RFLPMMFVJMWTBN-UHFFFAOYSA-N	-1	0	311.359	0.933	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(C)=O)C2)CC1	ZINC000810983659	670501723	/nfs/dbraw/zinc/50/17/23/670501723.db2.gz	WVRBUGPPCQEQQL-GFCCVEGCSA-N	-1	0	314.407	0.800	20	30		DCEDRM
CCOCCS(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000111981213	670531683	/nfs/dbraw/zinc/53/16/83/670531683.db2.gz	HMCGRLWKIWFUNF-UHFFFAOYSA-N	-1	0	310.375	0.973	20	30		DCEDRM
NS(=O)(=O)c1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000811646188	670540463	/nfs/dbraw/zinc/54/04/63/670540463.db2.gz	OEWBSKDUSHUZCE-UHFFFAOYSA-N	-1	0	320.330	0.873	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@]1(c2ccccc2)CNC(=O)C1	ZINC000847669628	670588413	/nfs/dbraw/zinc/58/84/13/670588413.db2.gz	LUXPPYAWYKKNGL-CQSZACIVSA-N	-1	0	308.359	0.076	20	30		DCEDRM
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1cccs1	ZINC000112495660	670608361	/nfs/dbraw/zinc/60/83/61/670608361.db2.gz	JQWADHFSRVBHOS-SECBINFHSA-N	-1	0	312.372	0.328	20	30		DCEDRM
Cc1nscc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813979791	670666654	/nfs/dbraw/zinc/66/66/54/670666654.db2.gz	DJYDXEYVPCHOTH-UHFFFAOYSA-N	-1	0	308.344	0.837	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)cc(=O)[nH]1	ZINC000813982355	670667538	/nfs/dbraw/zinc/66/75/38/670667538.db2.gz	ITRCKZMPEZAUSM-UHFFFAOYSA-N	-1	0	318.314	0.481	20	30		DCEDRM
COC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983353	670668225	/nfs/dbraw/zinc/66/82/25/670668225.db2.gz	RIWBMRMLGQRWPP-ZJUUUORDSA-N	-1	0	311.363	0.677	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000813990747	670670663	/nfs/dbraw/zinc/67/06/63/670670663.db2.gz	QDLWJVCSPUWWCE-UHFFFAOYSA-N	-1	0	317.370	0.757	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)[N-]OCCOCC	ZINC000814180763	670679244	/nfs/dbraw/zinc/67/92/44/670679244.db2.gz	PDHJQPUCLGQIDV-RYUDHWBXSA-N	-1	0	300.355	0.168	20	30		DCEDRM
COc1ccc(OC)c([C@@H](O)Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC000848438495	670682623	/nfs/dbraw/zinc/68/26/23/670682623.db2.gz	UEUOXOUPVZFKDI-LBPRGKRZSA-N	-1	0	317.301	0.159	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1	ZINC000848589948	670699571	/nfs/dbraw/zinc/69/95/71/670699571.db2.gz	IKLZNINYKKOQIQ-ZDUSSCGKSA-N	-1	0	323.393	0.514	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000848599063	670701186	/nfs/dbraw/zinc/70/11/86/670701186.db2.gz	BXIITKHHHBUEKM-SNVBAGLBSA-N	-1	0	304.302	0.474	20	30		DCEDRM
Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=NNCC(=O)[O-]	ZINC000814956633	670708965	/nfs/dbraw/zinc/70/89/65/670708965.db2.gz	IYAOLYADXQXXRN-UHFFFAOYSA-N	-1	0	323.312	0.969	20	30		DCEDRM
COc1cc(C=NNCC(=O)[O-])cc(Cl)c1OCC(N)=O	ZINC000814958437	670709261	/nfs/dbraw/zinc/70/92/61/670709261.db2.gz	SJWUVFGIMPFEQY-UHFFFAOYSA-N	-1	0	315.713	0.221	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N[C@H](CCF)C(=O)[O-]	ZINC000848681191	670712867	/nfs/dbraw/zinc/71/28/67/670712867.db2.gz	WAQYCPCJOWMCAJ-SECBINFHSA-N	-1	0	304.274	0.788	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC	ZINC000849218985	670765861	/nfs/dbraw/zinc/76/58/61/670765861.db2.gz	DJQJLQSSYKFFKO-QWRGUYRKSA-N	-1	0	317.363	0.068	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)N(CC)Cc1ccccc1	ZINC000849218886	670765898	/nfs/dbraw/zinc/76/58/98/670765898.db2.gz	AGSQXMCZCOZNMH-UHFFFAOYSA-N	-1	0	310.375	0.773	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1c(F)cccc1F	ZINC000849219368	670765950	/nfs/dbraw/zinc/76/59/50/670765950.db2.gz	RLGIBRNVMGPOBK-UHFFFAOYSA-N	-1	0	303.286	0.814	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)nc1	ZINC000849219095	670765991	/nfs/dbraw/zinc/76/59/91/670765991.db2.gz	GTZXVGUDNQFCDH-UHFFFAOYSA-N	-1	0	322.264	0.809	20	30		DCEDRM
C=CCCO[N-]C(=O)Cn1cc(Br)c(=O)[nH]c1=O	ZINC000856029691	670777170	/nfs/dbraw/zinc/77/71/70/670777170.db2.gz	ZNEAKQIKZIUKSC-UHFFFAOYSA-N	-1	0	318.127	0.335	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000856032535	670777560	/nfs/dbraw/zinc/77/75/60/670777560.db2.gz	MCVPUQVTVTXDSE-NSHDSACASA-N	-1	0	323.374	0.849	20	30		DCEDRM
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000816023645	670780749	/nfs/dbraw/zinc/78/07/49/670780749.db2.gz	GBUXORATUFLEKB-RKDXNWHRSA-N	-1	0	302.352	0.324	20	30		DCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1ncc(C#N)cc1C	ZINC000816069890	670783831	/nfs/dbraw/zinc/78/38/31/670783831.db2.gz	ZYPWJPNJUKLWRL-UHFFFAOYSA-N	-1	0	321.318	0.259	20	30		DCEDRM
C=CCOc1cc(OC)ccc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816733144	670852150	/nfs/dbraw/zinc/85/21/50/670852150.db2.gz	LCRKNFHEBZBMKT-UHFFFAOYSA-N	-1	0	306.278	0.647	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OC)c1	ZINC000850478231	670917045	/nfs/dbraw/zinc/91/70/45/670917045.db2.gz	QIWWBEYAEKZDHY-VIFPVBQESA-N	-1	0	324.337	0.352	20	30		DCEDRM
Cn1[nH]cc2c(=NC(=O)C(=O)N3CC[C@](C)(C#N)C3)ccnc1-2	ZINC000850701245	670933660	/nfs/dbraw/zinc/93/36/60/670933660.db2.gz	HSKVOXUNGKGNIE-OAHLLOKOSA-N	-1	0	312.333	0.042	20	30		DCEDRM
COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N	ZINC000850734818	670937381	/nfs/dbraw/zinc/93/73/81/670937381.db2.gz	GEEGAGOGAZBDIX-ZETCQYMHSA-N	-1	0	316.360	0.889	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC1CCC1	ZINC000850909510	670953787	/nfs/dbraw/zinc/95/37/87/670953787.db2.gz	MHJCCRNLTCQDEP-LBPRGKRZSA-N	-1	0	302.396	0.703	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CCCCOC	ZINC000850952324	670957413	/nfs/dbraw/zinc/95/74/13/670957413.db2.gz	OQMQDTABXWPJCD-LBPRGKRZSA-N	-1	0	320.411	0.330	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C	ZINC000851175729	670972824	/nfs/dbraw/zinc/97/28/24/670972824.db2.gz	WMNZPCDOXMWCDO-UHFFFAOYSA-N	-1	0	320.374	0.823	20	30		DCEDRM
N#Cc1cn(C2CN(c3cncc(Cl)n3)C2)c(=O)[n-]c1=O	ZINC000858680623	671030360	/nfs/dbraw/zinc/03/03/60/671030360.db2.gz	QMNLAXGAOZUKFT-UHFFFAOYSA-N	-1	0	304.697	0.325	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000818623575	671038007	/nfs/dbraw/zinc/03/80/07/671038007.db2.gz	JEYYZKNMXWRPTK-NSHDSACASA-N	-1	0	320.411	0.633	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc2[nH]cnc2cc1F	ZINC000819943410	671148467	/nfs/dbraw/zinc/14/84/67/671148467.db2.gz	DZUSYTHBZLQFEE-VIFPVBQESA-N	-1	0	304.281	0.787	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)CCOCC1	ZINC000820406674	671198970	/nfs/dbraw/zinc/19/89/70/671198970.db2.gz	UXWHIGDFRIRBQU-LBPRGKRZSA-N	-1	0	317.407	0.842	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)N(C)C(=O)CO2	ZINC000860471458	671212046	/nfs/dbraw/zinc/21/20/46/671212046.db2.gz	KGWUZFWKFOJANE-LLVKDONJSA-N	-1	0	313.313	0.666	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@]1(C)COc2ccccc2O1	ZINC000860721117	671232843	/nfs/dbraw/zinc/23/28/43/671232843.db2.gz	ZCYVUDOUBCUCHS-CQSZACIVSA-N	-1	0	309.343	0.686	20	30		DCEDRM
CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)[NH+]1CCCCC1	ZINC000821582769	671284351	/nfs/dbraw/zinc/28/43/51/671284351.db2.gz	XAVJUGJKJNAOLG-LBPRGKRZSA-N	-1	0	301.412	0.857	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2C(=O)O1	ZINC000821584114	671284762	/nfs/dbraw/zinc/28/47/62/671284762.db2.gz	RSMHYQJDFMTZKA-NSHDSACASA-N	-1	0	308.315	0.128	20	30		DCEDRM
C=CCO[N-]C(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C	ZINC000821892224	671297780	/nfs/dbraw/zinc/29/77/80/671297780.db2.gz	ZERHTXUXDIYZDC-JTQLQIEISA-N	-1	0	313.354	0.298	20	30		DCEDRM
CC(C)CCc1noc(Cn2cnc(-c3nnn[n-]3)c2C#N)n1	ZINC000824249606	671424945	/nfs/dbraw/zinc/42/49/45/671424945.db2.gz	PWGSVYFOOGHVMC-UHFFFAOYSA-N	-1	0	313.325	0.955	20	30		DCEDRM
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000824925605	671443962	/nfs/dbraw/zinc/44/39/62/671443962.db2.gz	FTZIQZXZUNYOAM-NXEZZACHSA-N	-1	0	314.353	0.724	20	30		DCEDRM
N#CC1(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCCCC1	ZINC000826834008	671502397	/nfs/dbraw/zinc/50/23/97/671502397.db2.gz	KSUOFZVDUMVAFF-NSHDSACASA-N	-1	0	304.354	0.964	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1ccccc1C#N	ZINC000833720874	671749568	/nfs/dbraw/zinc/74/95/68/671749568.db2.gz	GYYWMJDFGHNTBX-ZDUSSCGKSA-N	-1	0	312.347	0.716	20	30		DCEDRM
C=CC[C@@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1	ZINC000867101317	671750882	/nfs/dbraw/zinc/75/08/82/671750882.db2.gz	SUIADWODPGQMLC-JEOXALJRSA-N	-1	0	318.420	0.915	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1	ZINC000835289315	671792928	/nfs/dbraw/zinc/79/29/28/671792928.db2.gz	HHWCGPZXQMKSNY-NSHDSACASA-N	-1	0	313.379	0.382	20	30		DCEDRM
CCOC(=O)C1(C(=O)[N-]S(=O)(=O)CCCC#N)CCCC1	ZINC000842749662	672033562	/nfs/dbraw/zinc/03/35/62/672033562.db2.gz	FUPOFVZPOBMILX-UHFFFAOYSA-N	-1	0	316.379	0.860	20	30		DCEDRM
Cc1nccc(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)n1	ZINC000842764337	672035398	/nfs/dbraw/zinc/03/53/98/672035398.db2.gz	RXCCSJCHMOUGEG-UHFFFAOYSA-N	-1	0	322.390	0.858	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)c1	ZINC000844812627	672204552	/nfs/dbraw/zinc/20/45/52/672204552.db2.gz	BJVDXCBWENGNDW-UHFFFAOYSA-N	-1	0	319.342	0.442	20	30		DCEDRM
COC(=O)c1coc(S(=O)(=O)[N-]C(=O)CSCC#N)c1	ZINC000845878288	672280020	/nfs/dbraw/zinc/28/00/20/672280020.db2.gz	KKYYGFMRNMWPPA-UHFFFAOYSA-N	-1	0	318.332	0.128	20	30		DCEDRM
C=CCCc1ccccc1NC(=O)C(=O)NCC(=O)[N-]OCC	ZINC000846133141	672296124	/nfs/dbraw/zinc/29/61/24/672296124.db2.gz	WOTDCCZUVQNEOE-UHFFFAOYSA-N	-1	0	319.361	0.928	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2	ZINC000846155554	672297900	/nfs/dbraw/zinc/29/79/00/672297900.db2.gz	UYJGOKWXQGSTEF-JTQLQIEISA-N	-1	0	317.345	0.876	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1	ZINC000846156348	672298292	/nfs/dbraw/zinc/29/82/92/672298292.db2.gz	LDHKGQFGGOTRDL-JTQLQIEISA-N	-1	0	303.318	0.984	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000846547292	672326655	/nfs/dbraw/zinc/32/66/55/672326655.db2.gz	JMVJTUOCRZPOAX-GHMZBOCLSA-N	-1	0	323.374	0.847	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CC)Nc1nnnn1-c1ccccc1	ZINC000846545093	672326736	/nfs/dbraw/zinc/32/67/36/672326736.db2.gz	MADFFFAWPZGWGN-WCQYABFASA-N	-1	0	316.365	0.897	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21	ZINC000846544847	672326783	/nfs/dbraw/zinc/32/67/83/672326783.db2.gz	ZDOLVOKGHDMIPJ-SNVBAGLBSA-N	-1	0	323.374	0.690	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000846793028	672344214	/nfs/dbraw/zinc/34/42/14/672344214.db2.gz	NUQCYAKARZUCDM-UPJWGTAASA-N	-1	0	313.398	0.766	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793197968	685343695	/nfs/dbraw/zinc/34/36/95/685343695.db2.gz	URWAVXYAMXSMSW-UHFFFAOYSA-N	-1	0	319.342	0.687	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2ccc3c(c2)CCO3)CC1	ZINC000793195549	685343762	/nfs/dbraw/zinc/34/37/62/685343762.db2.gz	NVSDBHXMIVHBSJ-UHFFFAOYSA-N	-1	0	320.370	0.914	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)NCCC#N	ZINC000759106183	685335688	/nfs/dbraw/zinc/33/56/88/685335688.db2.gz	UWSYQJDTVBOVRD-UHFFFAOYSA-N	-1	0	309.244	0.017	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)c1[O-]	ZINC001012582707	691819715	/nfs/dbraw/zinc/81/97/15/691819715.db2.gz	SRYUAVJSTFYFIE-JOYOIKCWSA-N	-1	0	316.361	0.556	20	30		DCEDRM
CC#CCN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21	ZINC001074219725	694843528	/nfs/dbraw/zinc/84/35/28/694843528.db2.gz	VFLVORJKOLFBGB-QWHCGFSZSA-N	-1	0	318.377	0.362	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001076167572	695003052	/nfs/dbraw/zinc/00/30/52/695003052.db2.gz	GECCQNFONVBUSX-ONGXEEELSA-N	-1	0	324.381	0.639	20	30		DCEDRM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(C(N)=O)nc1	ZINC000129852947	1158150500	/nfs/dbraw/zinc/15/05/00/1158150500.db2.gz	MPKQBMKRKAWWMT-GFCCVEGCSA-N	-1	0	314.345	0.952	20	30		DCEDRM
C#CCCCC(=O)N[C@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001746134736	1158288377	/nfs/dbraw/zinc/28/83/77/1158288377.db2.gz	RXNJEAZNXIWDTC-LLVKDONJSA-N	-1	0	306.366	0.852	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)c1nc[n-]c(=O)c1Br	ZINC001626046734	1158619186	/nfs/dbraw/zinc/61/91/86/1158619186.db2.gz	LUIGABKJDLIRRI-ZETCQYMHSA-N	-1	0	314.139	0.449	20	30		DCEDRM
C[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1CCNCC#N	ZINC001691725248	1158964478	/nfs/dbraw/zinc/96/44/78/1158964478.db2.gz	RGCGHMOCJTYDGO-VHSXEESVSA-N	-1	0	320.353	0.027	20	30		DCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	ZINC001604484323	1159789899	/nfs/dbraw/zinc/78/98/99/1159789899.db2.gz	FTOCKRUKDUIRON-JFGNBEQYSA-N	-1	0	302.352	0.184	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@H]1C	ZINC001572369009	1163147805	/nfs/dbraw/zinc/14/78/05/1163147805.db2.gz	XPIUODAWNCSKED-WDEREUQCSA-N	-1	0	322.365	0.346	20	30		DCEDRM
CCn1cc(C#N)c(NC(=O)[C@H]2C[C@H]2C(=O)OC)c1C(=O)[O-]	ZINC001573844824	1163565251	/nfs/dbraw/zinc/56/52/51/1163565251.db2.gz	OWWBLPIEKJAMAD-DTWKUNHWSA-N	-1	0	305.290	0.825	20	30		DCEDRM
Cc1c(C(=O)N[C@H](C)c2nc(C(=O)[O-])n[nH]2)cnn1CCC#N	ZINC001574113159	1163639377	/nfs/dbraw/zinc/63/93/77/1163639377.db2.gz	LXWQHJKLFHNWHN-SSDOTTSWSA-N	-1	0	317.309	0.413	20	30		DCEDRM
Cc1c(C(=O)NC2CCN(C(=O)[O-])CC2)cnn1CCC#N	ZINC001574113367	1163640096	/nfs/dbraw/zinc/64/00/96/1163640096.db2.gz	OIZTUFJQRUSFBN-UHFFFAOYSA-N	-1	0	305.338	0.977	20	30		DCEDRM
Cc1cc(NC(=O)N2CCO[C@@](C)(C(=O)[O-])C2)ncc1C#N	ZINC001574141662	1163647352	/nfs/dbraw/zinc/64/73/52/1163647352.db2.gz	PBFVXLPXTDSLHI-CQSZACIVSA-N	-1	0	304.306	0.969	20	30		DCEDRM
N#Cc1c(F)cc(C(=O)Nc2ncn(CC(=O)[O-])n2)cc1F	ZINC001574241173	1163672147	/nfs/dbraw/zinc/67/21/47/1163672147.db2.gz	JBSDNSVHVBKFMH-UHFFFAOYSA-N	-1	0	307.216	0.765	20	30		DCEDRM
N#C[C@@]1(C(=O)NCc2nc(C(=O)[O-])n[nH]2)CC2CCC1CC2	ZINC001574241483	1163672456	/nfs/dbraw/zinc/67/24/56/1163672456.db2.gz	MLKVYKWZNJEOBK-CTCYHXBNSA-N	-1	0	303.322	0.839	20	30		DCEDRM
N#CCCn1ccc(NC(=O)NCc2cc(C(=O)[O-])no2)n1	ZINC001574241362	1163672602	/nfs/dbraw/zinc/67/26/02/1163672602.db2.gz	LDRARTIGGFKHIR-UHFFFAOYSA-N	-1	0	304.266	0.805	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H]2c2n[nH]nc2C(=O)[O-])nc1	ZINC001574245722	1163673159	/nfs/dbraw/zinc/67/31/59/1163673159.db2.gz	YWSWQGMYHCFASJ-SNVBAGLBSA-N	-1	0	312.289	0.747	20	30		DCEDRM
N#Cc1ccsc1C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccncc1	ZINC001574248101	1163673477	/nfs/dbraw/zinc/67/34/77/1163673477.db2.gz	CJIKWGHJJZQLCM-MNOVXSKESA-N	-1	0	317.326	0.931	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H](NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001576536870	1164383688	/nfs/dbraw/zinc/38/36/88/1164383688.db2.gz	ZOIMLTCVXGNFPG-LBPRGKRZSA-N	-1	0	316.361	0.558	20	30		DCEDRM
CCC(C)(C)OC1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001576545848	1164387169	/nfs/dbraw/zinc/38/71/69/1164387169.db2.gz	PNJYBGWHAVZDEW-UHFFFAOYSA-N	-1	0	314.353	0.922	20	30		DCEDRM
CC[N@@H+]1CCCC[C@H]1C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC001578221068	1164955471	/nfs/dbraw/zinc/95/54/71/1164955471.db2.gz	KHQNFTGLPGCYDL-VIFPVBQESA-N	-1	0	315.341	0.274	20	30		DCEDRM
CN(C[C@H](O)c1cccc(C#N)c1)c1ccnc(-c2nnn[n-]2)n1	ZINC001579064204	1165196854	/nfs/dbraw/zinc/19/68/54/1165196854.db2.gz	VNHIPAMWFFOWOB-LBPRGKRZSA-N	-1	0	322.332	0.698	20	30		DCEDRM
CN(Cc1noc(C2CC2)n1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579266651	1165256398	/nfs/dbraw/zinc/25/63/98/1165256398.db2.gz	VVDIXCSLNYTJIJ-UHFFFAOYSA-N	-1	0	324.308	0.425	20	30		DCEDRM
COC(=O)[C@@H](CC1CC1)Nc1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001579433439	1165308521	/nfs/dbraw/zinc/30/85/21/1165308521.db2.gz	GLSCRMWXIGXYFI-MRVPVSSYSA-N	-1	0	314.309	0.282	20	30		DCEDRM
COC(=O)C[C@H]1CCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579448046	1165311590	/nfs/dbraw/zinc/31/15/90/1165311590.db2.gz	WYCNBYINUJBGBA-MRVPVSSYSA-N	-1	0	314.309	0.060	20	30		DCEDRM
COC(=O)c1cc(Cn2c(C)nc(-c3nnn[n-]3)c2C#N)on1	ZINC001579478547	1165325954	/nfs/dbraw/zinc/32/59/54/1165325954.db2.gz	MLTYBFOAOYZSNU-UHFFFAOYSA-N	-1	0	314.265	0.066	20	30		DCEDRM
CO[C@@H]1[C@@H](C)[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1(C)C	ZINC001579602846	1165357998	/nfs/dbraw/zinc/35/79/98/1165357998.db2.gz	WOJJTCLFIREVEH-CQFDHEJISA-N	-1	0	314.353	1.000	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(F)c(-c3nn[nH]n3)c2)[n-]c1C#N	ZINC001581879168	1165899443	/nfs/dbraw/zinc/89/94/43/1165899443.db2.gz	KUKIDODSYHSAAW-UHFFFAOYSA-N	-1	0	323.251	0.725	20	30		DCEDRM
N#Cc1ncc(NCc2ccc(C(N)=O)cc2)nc1-c1nnn[n-]1	ZINC001581884051	1165904004	/nfs/dbraw/zinc/90/40/04/1165904004.db2.gz	INOPLTBAIQONQU-UHFFFAOYSA-N	-1	0	321.304	0.239	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001582832191	1166105197	/nfs/dbraw/zinc/10/51/97/1166105197.db2.gz	JJAHMVZTSCDGRE-VFZGTOFNSA-N	-1	0	324.381	0.233	20	30		DCEDRM
CC#CCCCC(=O)N1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001584633154	1166346038	/nfs/dbraw/zinc/34/60/38/1166346038.db2.gz	YGQWXPJWLRLAGY-LBPRGKRZSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C#C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC001588326523	1166524199	/nfs/dbraw/zinc/52/41/99/1166524199.db2.gz	ODRHWOFTKPKYQA-ZETCQYMHSA-N	-1	0	322.306	0.075	20	30		DCEDRM
C#CC1CCN(c2nnc(-c3c[nH]nc3-c3nnn[n-]3)n2C)CC1	ZINC001588331007	1166527672	/nfs/dbraw/zinc/52/76/72/1166527672.db2.gz	NILAQZRXMIHEOW-UHFFFAOYSA-N	-1	0	324.352	0.235	20	30		DCEDRM
C#CC1(NC(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)CCCC1	ZINC001588333459	1166529648	/nfs/dbraw/zinc/52/96/48/1166529648.db2.gz	RKEQOBUSZJGJAL-UHFFFAOYSA-N	-1	0	312.333	0.952	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnc(C)c(C#N)c2)n1C	ZINC001588426290	1166553952	/nfs/dbraw/zinc/55/39/52/1166553952.db2.gz	GCCFLZCYYCMKJK-UHFFFAOYSA-N	-1	0	310.317	0.581	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC001588505028	1166558400	/nfs/dbraw/zinc/55/84/00/1166558400.db2.gz	SONZINXYYBXDPD-HNNXBMFYSA-N	-1	0	304.302	0.752	20	30		DCEDRM
C=C[C@@H]1CCCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001588527661	1166561064	/nfs/dbraw/zinc/56/10/64/1166561064.db2.gz	SFMYYULVZXSLHC-SNVBAGLBSA-N	-1	0	317.357	0.208	20	30		DCEDRM
C=CCn1cc(CNC(=O)c2ccc(-c3nn[nH]n3)cc2)nn1	ZINC001588716376	1166582153	/nfs/dbraw/zinc/58/21/53/1166582153.db2.gz	DLQSZJYNXQTBCK-UHFFFAOYSA-N	-1	0	310.321	0.574	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC001588728143	1166582331	/nfs/dbraw/zinc/58/23/31/1166582331.db2.gz	NEQUBTCELRNJCP-FRRDWIJNSA-N	-1	0	315.333	0.360	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1	ZINC001588725356	1166582604	/nfs/dbraw/zinc/58/26/04/1166582604.db2.gz	BXVDPTSIRIKEFM-WPRPVWTQSA-N	-1	0	318.341	0.313	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(=O)[nH]n2)o1	ZINC001588781176	1166590654	/nfs/dbraw/zinc/59/06/54/1166590654.db2.gz	JZMYIHPIZHENLN-UHFFFAOYSA-N	-1	0	301.270	0.495	20	30		DCEDRM
C[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)[C@@H]1CCCOC1	ZINC001589986991	1166737890	/nfs/dbraw/zinc/73/78/90/1166737890.db2.gz	AUKVSWZGQGQZAB-RKDXNWHRSA-N	-1	0	300.326	0.755	20	30		DCEDRM
CC1(C)C[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)CCO1	ZINC001590084027	1166772308	/nfs/dbraw/zinc/77/23/08/1166772308.db2.gz	SMKQSWBKGFZKRJ-MRVPVSSYSA-N	-1	0	300.326	0.898	20	30		DCEDRM
CCCC[C@](C)(CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590573843	1166946750	/nfs/dbraw/zinc/94/67/50/1166946750.db2.gz	LUWRPKNRYDRFPV-CYBMUJFWSA-N	-1	0	302.342	0.881	20	30		DCEDRM
COC(=O)c1cnoc1Cn1c(C)nc(-c2nnn[n-]2)c1C#N	ZINC001591305841	1167207783	/nfs/dbraw/zinc/20/77/83/1167207783.db2.gz	IYEZRNMPCAIFEK-UHFFFAOYSA-N	-1	0	314.265	0.066	20	30		DCEDRM
CO[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC[C@@H]1C	ZINC001591360022	1167233967	/nfs/dbraw/zinc/23/39/67/1167233967.db2.gz	GRJBUGBJXSHMIK-WPRPVWTQSA-N	-1	0	300.326	0.390	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@H](C#N)C(C)(C)C	ZINC001591834538	1167391684	/nfs/dbraw/zinc/39/16/84/1167391684.db2.gz	BGQNTBBOMVPEKA-SECBINFHSA-N	-1	0	315.337	0.944	20	30		DCEDRM
Cc1ccc(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)cc1C#N	ZINC001592172153	1167468694	/nfs/dbraw/zinc/46/86/94/1167468694.db2.gz	YNZVZNPZQYVATJ-UHFFFAOYSA-N	-1	0	305.305	0.745	20	30		DCEDRM
Cc1ccc(NC(=O)Cn2c(N)nc(-c3nnn[n-]3)c2C#N)cc1	ZINC001592182474	1167471033	/nfs/dbraw/zinc/47/10/33/1167471033.db2.gz	OYGAGBHMVWRZSQ-UHFFFAOYSA-N	-1	0	323.320	0.464	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2ccccc2C(N)=O)o1	ZINC001592338642	1167494196	/nfs/dbraw/zinc/49/41/96/1167494196.db2.gz	KYHMAEUOLVXHBU-UHFFFAOYSA-N	-1	0	312.293	0.708	20	30		DCEDRM
Cn1c(CC#N)nnc1Sc1ccnc(-c2nnn[n-]2)n1	ZINC001592554767	1167555322	/nfs/dbraw/zinc/55/53/22/1167555322.db2.gz	JFCHQLOOWQYESE-UHFFFAOYSA-N	-1	0	300.311	0.002	20	30		DCEDRM
N#CC1(COC(=O)c2ccc(-c3nnn[n-]3)o2)CCOCC1	ZINC001592670182	1167593913	/nfs/dbraw/zinc/59/39/13/1167593913.db2.gz	VFCKLXAIMNEOMK-UHFFFAOYSA-N	-1	0	303.278	0.937	20	30		DCEDRM
N#Cc1cc2c(nc1NCCn1cnc(-c3nnn[n-]3)n1)CCC2	ZINC001592690148	1167601708	/nfs/dbraw/zinc/60/17/08/1167601708.db2.gz	NZBJUSVLVLHRKQ-UHFFFAOYSA-N	-1	0	322.336	0.326	20	30		DCEDRM
N#Cc1ncc(N2CCC(CCO)CC2)nc1-c1nnn[n-]1	ZINC001592708246	1167607432	/nfs/dbraw/zinc/60/74/32/1167607432.db2.gz	CZODTKOKCRWGBK-UHFFFAOYSA-N	-1	0	300.326	0.127	20	30		DCEDRM
CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)Cn1cnc(C#N)n1	ZINC001596913235	1167998275	/nfs/dbraw/zinc/99/82/75/1167998275.db2.gz	NPNOTRGPNKGKSK-NSHDSACASA-N	-1	0	323.353	0.126	20	30		DCEDRM
Cc1c(C(=O)O[C@@H]2C[C@@H](C(=O)[O-])[N@H+](C)C2)cnn1CCC#N	ZINC001600004831	1168091436	/nfs/dbraw/zinc/09/14/36/1168091436.db2.gz	CZSMFVXNGMZHDZ-PWSUYJOCSA-N	-1	0	306.322	0.419	20	30		DCEDRM
Cc1cc(C#N)nc(NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1	ZINC001600075508	1168111884	/nfs/dbraw/zinc/11/18/84/1168111884.db2.gz	CIOKBCMLAMLIAG-GHMZBOCLSA-N	-1	0	315.333	0.438	20	30		DCEDRM
Cc1cc2nc(C)cc(C(=O)N(CC#N)CCC(=O)[O-])n2n1	ZINC001600077969	1168112258	/nfs/dbraw/zinc/11/22/58/1168112258.db2.gz	MRVZVJUKPQJTIT-UHFFFAOYSA-N	-1	0	301.306	0.787	20	30		DCEDRM
Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](CF)C(=O)[O-]	ZINC001600230697	1168141464	/nfs/dbraw/zinc/14/14/64/1168141464.db2.gz	XTQJBKPRXCAYQT-VIFPVBQESA-N	-1	0	304.274	0.707	20	30		DCEDRM
Cc1cc(S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-])ccc1C#N	ZINC001600296814	1168160054	/nfs/dbraw/zinc/16/00/54/1168160054.db2.gz	ICCPWRPWZMIZJK-NSHDSACASA-N	-1	0	312.347	0.369	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001600327646	1168165211	/nfs/dbraw/zinc/16/52/11/1168165211.db2.gz	NIAVZUXZCGQCOW-ZDUSSCGKSA-N	-1	0	315.329	0.672	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)c1C#N	ZINC001600547139	1168198245	/nfs/dbraw/zinc/19/82/45/1168198245.db2.gz	JUCNHHDCBPCZAL-UHFFFAOYSA-N	-1	0	324.358	0.467	20	30		DCEDRM
Cc1ccn(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)c1C#N	ZINC001600595214	1168207245	/nfs/dbraw/zinc/20/72/45/1168207245.db2.gz	KGLMCQBJAMBBID-GFCCVEGCSA-N	-1	0	305.334	0.644	20	30		DCEDRM
Cc1nc(NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)ccc1C#N	ZINC001600717017	1168261048	/nfs/dbraw/zinc/26/10/48/1168261048.db2.gz	WZQUPWBSDANCKZ-GXFFZTMASA-N	-1	0	309.347	0.562	20	30		DCEDRM
Cc1nn(C)c(N2CCN(C(=O)[C@H](C)CC(=O)[O-])CC2)c1C#N	ZINC001600772173	1168286533	/nfs/dbraw/zinc/28/65/33/1168286533.db2.gz	BHNOOKGPVJBHOM-SNVBAGLBSA-N	-1	0	319.365	0.360	20	30		DCEDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@](C)(C#N)C1	ZINC001600834584	1168479724	/nfs/dbraw/zinc/47/97/24/1168479724.db2.gz	WUAHAPKDESUCPK-GFCCVEGCSA-N	-1	0	314.319	0.589	20	30		DCEDRM
Cn1c(C#N)ccc1-c1nnc(N2CC[C@](F)(C(=O)[O-])C2)n1C	ZINC001600898337	1168499242	/nfs/dbraw/zinc/49/92/42/1168499242.db2.gz	MIYMUGSOKNZIAW-CQSZACIVSA-N	-1	0	318.312	0.695	20	30		DCEDRM
Cn1ncc(CCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1	ZINC001601026881	1168570112	/nfs/dbraw/zinc/57/01/12/1168570112.db2.gz	ASZBWJHPDKAPLB-AWEZNQCLSA-N	-1	0	314.301	0.988	20	30		DCEDRM
N#CC1(C[C@H](O)CN2CC(F)(F)C[C@H]2C(=O)[O-])CCOCC1	ZINC001601054287	1168578238	/nfs/dbraw/zinc/57/82/38/1168578238.db2.gz	JBCWATMHEWIBDR-QWRGUYRKSA-N	-1	0	318.320	0.852	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)Nc2nc(C(N)=O)cs2)CC1	ZINC001601055723	1168578251	/nfs/dbraw/zinc/57/82/51/1168578251.db2.gz	YJTUPEQVKGELKH-UHFFFAOYSA-N	-1	0	323.334	0.464	20	30		DCEDRM
N#CC1(CC(=O)OCc2noc(CCC(=O)[O-])n2)CCOCC1	ZINC001601054058	1168578355	/nfs/dbraw/zinc/57/83/55/1168578355.db2.gz	FFJKZMIPQGDQLO-UHFFFAOYSA-N	-1	0	323.305	0.840	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@@H](O)Cc2ccccc2)CC1	ZINC001601055315	1168578579	/nfs/dbraw/zinc/57/85/79/1168578579.db2.gz	ILLCWAPEEHRVJW-ZDUSSCGKSA-N	-1	0	302.330	0.807	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)Nc2ccc(C(=O)[O-])cn2)CC1	ZINC001601061619	1168578810	/nfs/dbraw/zinc/57/88/10/1168578810.db2.gz	YKZCKXUBPXKFRG-UHFFFAOYSA-N	-1	0	317.305	0.370	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001601063341	1168579800	/nfs/dbraw/zinc/57/98/00/1168579800.db2.gz	PUGKXIBGFKANAG-SNVBAGLBSA-N	-1	0	302.352	0.186	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1	ZINC001601063114	1168579918	/nfs/dbraw/zinc/57/99/18/1168579918.db2.gz	QJJFKPWFNLHGOX-UHFFFAOYSA-N	-1	0	314.294	0.173	20	30		DCEDRM
N#CCCNC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1	ZINC001601068273	1168580281	/nfs/dbraw/zinc/58/02/81/1168580281.db2.gz	PSCKWFUZZOAONE-UHFFFAOYSA-N	-1	0	314.301	0.436	20	30		DCEDRM
N#CCCn1ccc(NC(=O)NC[C@@]2(C(=O)[O-])CCOC2)n1	ZINC001601069219	1168580307	/nfs/dbraw/zinc/58/03/07/1168580307.db2.gz	ASBPBYGZXOAJPU-ZDUSSCGKSA-N	-1	0	307.310	0.410	20	30		DCEDRM
N#CCCn1ccc(N[C@@H]2CCCN(CCC(=O)[O-])C2=O)n1	ZINC001601069288	1168580604	/nfs/dbraw/zinc/58/06/04/1168580604.db2.gz	BDEIXYJRONTTKP-LLVKDONJSA-N	-1	0	305.338	0.674	20	30		DCEDRM
N#CCCCS(=O)(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-]	ZINC001601067591	1168580612	/nfs/dbraw/zinc/58/06/12/1168580612.db2.gz	ZKADBMCUUZNDGH-GFCCVEGCSA-N	-1	0	312.347	0.742	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1c(Cl)ccnc1Cl	ZINC001601071899	1168580935	/nfs/dbraw/zinc/58/09/35/1168580935.db2.gz	GNUGGMQDYPKZMX-UHFFFAOYSA-N	-1	0	324.145	0.987	20	30		DCEDRM
N#CCN(CCC(=O)[O-])CC(=O)Nc1cccc2nsnc21	ZINC001601072926	1168581530	/nfs/dbraw/zinc/58/15/30/1168581530.db2.gz	SYDMJXGYAXQRAC-UHFFFAOYSA-N	-1	0	319.346	0.930	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1	ZINC001601073837	1168581899	/nfs/dbraw/zinc/58/18/99/1168581899.db2.gz	PCUMZQRHRCCOIK-ZDUSSCGKSA-N	-1	0	318.329	0.834	20	30		DCEDRM
N#CCOc1cccc(CNS(=O)(=O)CC2(C(=O)[O-])CC2)c1	ZINC001601075195	1168582141	/nfs/dbraw/zinc/58/21/41/1168582141.db2.gz	CLSDLQVMPNRPAS-UHFFFAOYSA-N	-1	0	324.358	0.873	20	30		DCEDRM
N#CCc1ccc(OC[C@@H](O)CN2CCOC[C@@H]2C(=O)[O-])cc1	ZINC001601077331	1168582399	/nfs/dbraw/zinc/58/23/99/1168582399.db2.gz	YCSZQPZUQUZAQT-DZGCQCFKSA-N	-1	0	320.345	0.278	20	30		DCEDRM
N#C[C@@]12CN([C@@H](C(=O)[O-])c3cccnc3)C[C@H]1CS(=O)(=O)C2	ZINC001601079612	1168582768	/nfs/dbraw/zinc/58/27/68/1168582768.db2.gz	OAQHKCMZRZWRME-SCRDCRAPSA-N	-1	0	321.358	0.077	20	30		DCEDRM
N#Cc1c(N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)nc2ccccn12	ZINC001601082915	1168582986	/nfs/dbraw/zinc/58/29/86/1168582986.db2.gz	IJSPMOFLUYUSOF-JTQLQIEISA-N	-1	0	323.316	0.947	20	30		DCEDRM
N#Cc1c(NC(=O)Cn2cc(C(=O)[O-])cn2)n[nH]c1C1CC1	ZINC001601081443	1168583214	/nfs/dbraw/zinc/58/32/14/1168583214.db2.gz	LUQLOFXNPLTORO-UHFFFAOYSA-N	-1	0	300.278	0.692	20	30		DCEDRM
N#Cc1cc(CN2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)ccc1F	ZINC001601087704	1168583381	/nfs/dbraw/zinc/58/33/81/1168583381.db2.gz	HXUNJYMLIVOTBH-OLZOCXBDSA-N	-1	0	317.320	0.718	20	30		DCEDRM
N#Cc1cc(O)cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1	ZINC001601089073	1168583398	/nfs/dbraw/zinc/58/33/98/1168583398.db2.gz	LBCLKYIRQCPSFZ-LBPRGKRZSA-N	-1	0	317.301	0.069	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)[C@@H]2CCCS2(=O)=O)C(=O)[O-])cc1	ZINC001601095776	1168584426	/nfs/dbraw/zinc/58/44/26/1168584426.db2.gz	BZPLQQZPECDUEB-RYUDHWBXSA-N	-1	0	323.326	0.804	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)C(=O)NCCCC(=O)[O-])c1	ZINC001601102377	1168585501	/nfs/dbraw/zinc/58/55/01/1168585501.db2.gz	APKAVTRTDRVEBF-UHFFFAOYSA-N	-1	0	307.281	0.295	20	30		DCEDRM
N#Cc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)c([N+](=O)[O-])c1	ZINC001601100926	1168585515	/nfs/dbraw/zinc/58/55/15/1168585515.db2.gz	REIPXORFEZVHDK-NEPJUHHUSA-N	-1	0	305.290	0.734	20	30		DCEDRM
N#Cc1ccc(Cl)cc1NC(=O)CN1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC001601103338	1168585556	/nfs/dbraw/zinc/58/55/56/1168585556.db2.gz	DEVDIYYVDRALDV-JQWIXIFHSA-N	-1	0	323.736	0.670	20	30		DCEDRM
N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nc1	ZINC001601108051	1168586198	/nfs/dbraw/zinc/58/61/98/1168586198.db2.gz	YUWUIBPNJUZFTA-LPWJVIDDSA-N	-1	0	314.345	0.981	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@H](NS(=O)(=O)CCCC(=O)[O-])C2	ZINC001601114050	1168587014	/nfs/dbraw/zinc/58/70/14/1168587014.db2.gz	IUCSNXLIDVYDRY-CYBMUJFWSA-N	-1	0	308.359	0.810	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])c1	ZINC001601114538	1168587366	/nfs/dbraw/zinc/58/73/66/1168587366.db2.gz	CMASDSBIPNGIKQ-LBPRGKRZSA-N	-1	0	304.302	0.894	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)[C@H]2CCCS2(=O)=O)C(=O)[O-])c1	ZINC001601117500	1168587416	/nfs/dbraw/zinc/58/74/16/1168587416.db2.gz	BOLIYZOEEYEBRM-VXGBXAGGSA-N	-1	0	323.326	0.804	20	30		DCEDRM
N#Cc1cccc([N+](=O)[O-])c1Cn1cnc(C(=O)[O-])cc1=O	ZINC001601124017	1168588069	/nfs/dbraw/zinc/58/80/69/1168588069.db2.gz	AANUTFRIFOZQTM-UHFFFAOYSA-N	-1	0	300.230	0.770	20	30		DCEDRM
N#Cc1cccc(OCC(=O)NC[C@]2(C(=O)[O-])CCOC2)c1	ZINC001601121759	1168588160	/nfs/dbraw/zinc/58/81/60/1168588160.db2.gz	TZYUHEPNYFMZDT-OAHLLOKOSA-N	-1	0	304.302	0.545	20	30		DCEDRM
N#Cc1cccc(N2CCN(c3ncncc3C(=O)[O-])CC2)n1	ZINC001601123092	1168588460	/nfs/dbraw/zinc/58/84/60/1168588460.db2.gz	ZZVKNLLSJVDKEZ-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CN2CCO[C@@H](CC(=O)[O-])C2)c1	ZINC001601122239	1168588622	/nfs/dbraw/zinc/58/86/22/1168588622.db2.gz	GXLFOWKXDDAIRE-AWEZNQCLSA-N	-1	0	317.345	0.350	20	30		DCEDRM
N#Cc1ccnnc1N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001601128910	1168589439	/nfs/dbraw/zinc/58/94/39/1168589439.db2.gz	XUBVKMCZKUPQPM-OAHLLOKOSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1csc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1	ZINC001601131337	1168591949	/nfs/dbraw/zinc/59/19/49/1168591949.db2.gz	WNLQJGGOLQSSSR-SECBINFHSA-N	-1	0	317.330	0.997	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC001601133822	1168592710	/nfs/dbraw/zinc/59/27/10/1168592710.db2.gz	WEKARSMAUJHSID-CABCVRRESA-N	-1	0	316.361	0.687	20	30		DCEDRM
N#Cc1ncccc1OS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001601135280	1168592855	/nfs/dbraw/zinc/59/28/55/1168592855.db2.gz	NJOBAISGZTVOMO-UHFFFAOYSA-N	-1	0	311.300	0.876	20	30		DCEDRM
N#Cc1sc(NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])nc1Cl	ZINC001601136244	1168594409	/nfs/dbraw/zinc/59/44/09/1168594409.db2.gz	MCCFBRJQWBMFDN-WDSKDSINSA-N	-1	0	314.754	0.917	20	30		DCEDRM
O=C([O-])[C@H](CC(F)F)NC(=O)C#Cc1ccc2c(c1)OCO2	ZINC001601223564	1168666099	/nfs/dbraw/zinc/66/60/99/1168666099.db2.gz	JOXCVXPTIPFOKK-VIFPVBQESA-N	-1	0	311.240	0.991	20	30		DCEDRM
O=C(C#CC1CC1)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001601224653	1168667024	/nfs/dbraw/zinc/66/70/24/1168667024.db2.gz	YSVFGISQSDSFQX-RNJOBUHISA-N	-1	0	304.346	0.132	20	30		DCEDRM
O=C([O-])[C@H]1CCCN(CC(=O)OCC#Cc2ccccc2)C1=O	ZINC001601310401	1168701365	/nfs/dbraw/zinc/70/13/65/1168701365.db2.gz	NLVTUORKTLSJPS-AWEZNQCLSA-N	-1	0	315.325	0.905	20	30		DCEDRM
O=C([O-])C1(NCC#Cc2ccccc2)CCS(=O)(=O)CC1	ZINC001601719700	1168828000	/nfs/dbraw/zinc/82/80/00/1168828000.db2.gz	UHHRFBALBFYAJC-UHFFFAOYSA-N	-1	0	307.371	0.660	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)[C@H]1CCCO1	ZINC001602673787	1169155516	/nfs/dbraw/zinc/15/55/16/1169155516.db2.gz	JQOAURPGDMHLPB-NWDGAFQWSA-N	-1	0	305.334	0.567	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC001602683252	1169158836	/nfs/dbraw/zinc/15/88/36/1169158836.db2.gz	MVMINWIXNWTMKJ-WBMJQRKESA-N	-1	0	324.377	0.244	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001602701343	1169165649	/nfs/dbraw/zinc/16/56/49/1169165649.db2.gz	GMRVOGVWCKONHM-ZETCQYMHSA-N	-1	0	321.738	0.684	20	30		DCEDRM
C#CCCCCNC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001602705215	1169166032	/nfs/dbraw/zinc/16/60/32/1169166032.db2.gz	JPIQHUNTJMGSFF-LPWJVIDDSA-N	-1	0	306.362	0.522	20	30		DCEDRM
C#CC[C@H]1CCN(c2ccc(C(=O)OC)nc2-c2nn[nH]n2)C1	ZINC001602703122	1169166302	/nfs/dbraw/zinc/16/63/02/1169166302.db2.gz	LSPCWGYTZUSSTM-JTQLQIEISA-N	-1	0	312.333	0.898	20	30		DCEDRM
C#CCCN(CCOC)C(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001602710778	1169166860	/nfs/dbraw/zinc/16/68/60/1169166860.db2.gz	NUASFPBEFTWPTR-UHFFFAOYSA-N	-1	0	318.329	0.822	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001602725750	1169173524	/nfs/dbraw/zinc/17/35/24/1169173524.db2.gz	GSGFOKGTDNAKOF-ZYHUDNBSSA-N	-1	0	318.333	0.226	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001602755564	1169179507	/nfs/dbraw/zinc/17/95/07/1169179507.db2.gz	XVJVJGIFHHMCJA-GUBZILKMSA-N	-1	0	304.293	0.539	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CCN1C(=O)CCNC1=S)C(=O)[O-]	ZINC001602749902	1169179917	/nfs/dbraw/zinc/17/99/17/1169179917.db2.gz	JYNCJQSRHNIKGK-VIFPVBQESA-N	-1	0	313.379	0.019	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O	ZINC001602775896	1169182849	/nfs/dbraw/zinc/18/28/49/1169182849.db2.gz	JUMSDHMOMUJYHK-LLVKDONJSA-N	-1	0	318.395	0.338	20	30		DCEDRM
C=C1CCC(CNC(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)CC1	ZINC001602791845	1169184389	/nfs/dbraw/zinc/18/43/89/1169184389.db2.gz	AQWVVTLJGRJJJS-INIZCTEOSA-N	-1	0	324.377	0.551	20	30		DCEDRM
C=C1CCC(CNC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1	ZINC001602791891	1169185091	/nfs/dbraw/zinc/18/50/91/1169185091.db2.gz	DFKGQKCURRPTIK-STQMWFEESA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=C(CO)C(=O)N[C@](C)(Cn1cnc2ccccc21)C(=O)[O-]	ZINC001602788297	1169185235	/nfs/dbraw/zinc/18/52/35/1169185235.db2.gz	GQPCSHLKOQOCNQ-OAHLLOKOSA-N	-1	0	303.318	0.544	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001602806123	1169185691	/nfs/dbraw/zinc/18/56/91/1169185691.db2.gz	RXPOFMFOOCZGCE-RYUDHWBXSA-N	-1	0	308.378	0.980	20	30		DCEDRM
C=C[C@H](OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)C(=O)[O-]	ZINC001602819952	1169188167	/nfs/dbraw/zinc/18/81/67/1169188167.db2.gz	ATYCLVUZDIDTPE-XQQFMLRXSA-N	-1	0	323.345	0.610	20	30		DCEDRM
C=C[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-]	ZINC001602820292	1169188588	/nfs/dbraw/zinc/18/85/88/1169188588.db2.gz	GKZPEQMPDGMWOM-ZYHUDNBSSA-N	-1	0	304.302	0.613	20	30		DCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C1	ZINC001602855383	1169192959	/nfs/dbraw/zinc/19/29/59/1169192959.db2.gz	OUESNXXLEMNKAK-XQQFMLRXSA-N	-1	0	324.377	0.502	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC001602865144	1169195930	/nfs/dbraw/zinc/19/59/30/1169195930.db2.gz	FFZCACZNMOGNLC-SNVBAGLBSA-N	-1	0	309.370	0.896	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1cnc(C(=O)OC)cn1)C(=O)[O-]	ZINC001602872773	1169196254	/nfs/dbraw/zinc/19/62/54/1169196254.db2.gz	NOTLXGHUDXNREA-VIFPVBQESA-N	-1	0	307.306	0.803	20	30		DCEDRM
C=CCCOCCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001602880914	1169197801	/nfs/dbraw/zinc/19/78/01/1169197801.db2.gz	MBBALTUKQYUSJW-UHFFFAOYSA-N	-1	0	303.340	0.287	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])nn1	ZINC001602884649	1169197851	/nfs/dbraw/zinc/19/78/51/1169197851.db2.gz	MRGPBXONOWBYAM-SNVBAGLBSA-N	-1	0	304.310	0.003	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001602881121	1169198170	/nfs/dbraw/zinc/19/81/70/1169198170.db2.gz	JKCDQAYMOKMNSW-GRYCIOLGSA-N	-1	0	313.350	0.832	20	30		DCEDRM
C=CCCOCC(=O)N1CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001602881357	1169198466	/nfs/dbraw/zinc/19/84/66/1169198466.db2.gz	QRCXLNUOCJXCQF-UHFFFAOYSA-N	-1	0	320.349	0.416	20	30		DCEDRM
C=CCNC(=O)CNC(=O)NCc1ccc(C(=O)[O-])c(OC)c1	ZINC001602901214	1169201303	/nfs/dbraw/zinc/20/13/03/1169201303.db2.gz	BVZWMQCIMZZNGN-UHFFFAOYSA-N	-1	0	321.333	0.495	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1	ZINC001602906437	1169201486	/nfs/dbraw/zinc/20/14/86/1169201486.db2.gz	GFTAPDQINMPTOA-MKBNYLNASA-N	-1	0	324.377	0.359	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(-c2ccn(C)c2)n[nH]1)C(=O)[O-]	ZINC001602909027	1169202714	/nfs/dbraw/zinc/20/27/14/1169202714.db2.gz	KTQXVULLBRPFDW-CYBMUJFWSA-N	-1	0	318.333	0.801	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C1(C)COC(C)(C)OC1)C(=O)[O-]	ZINC001602909763	1169202749	/nfs/dbraw/zinc/20/27/49/1169202749.db2.gz	HDHHPMWMZGKYFW-JTQLQIEISA-N	-1	0	301.339	0.548	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001602909608	1169203422	/nfs/dbraw/zinc/20/34/22/1169203422.db2.gz	AFNUKPFUSWENCN-QWHCGFSZSA-N	-1	0	304.302	0.364	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(F)cc(F)c1N)C(=O)[O-]	ZINC001602909136	1169203490	/nfs/dbraw/zinc/20/34/90/1169203490.db2.gz	OPXUUPLLXVCPPG-SNVBAGLBSA-N	-1	0	300.261	0.933	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-]	ZINC001602913543	1169204672	/nfs/dbraw/zinc/20/46/72/1169204672.db2.gz	VEXHMDQMLKLXKT-GFCCVEGCSA-N	-1	0	317.305	0.048	20	30		DCEDRM
C=CCOc1ccc(CC(=O)NCC(=O)NCC(=O)[O-])cc1	ZINC001602922202	1169207205	/nfs/dbraw/zinc/20/72/05/1169207205.db2.gz	UBPJYZZPDVGGBY-UHFFFAOYSA-N	-1	0	306.318	0.111	20	30		DCEDRM
C=CCn1c([C@H](O)C2CC2)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001602932804	1169210447	/nfs/dbraw/zinc/21/04/47/1169210447.db2.gz	STGGLLFYYKOPMB-IAQYHMDHSA-N	-1	0	322.365	0.587	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001602946112	1169219205	/nfs/dbraw/zinc/21/92/05/1169219205.db2.gz	ONGLPRVFILXOMR-NSHDSACASA-N	-1	0	306.274	0.797	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC(Nc2ncc(C(=O)[O-])cn2)CC1	ZINC001603129773	1169250644	/nfs/dbraw/zinc/25/06/44/1169250644.db2.gz	MIXNUYXSECGTLO-SECBINFHSA-N	-1	0	303.322	0.737	20	30		DCEDRM
C[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)N1CCSCC1	ZINC001603139436	1169252983	/nfs/dbraw/zinc/25/29/83/1169252983.db2.gz	CVHNWVGCNFMIRP-LLVKDONJSA-N	-1	0	311.407	0.641	20	30		DCEDRM
C[C@H](CN(C)CCS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001604158907	1169509036	/nfs/dbraw/zinc/50/90/36/1169509036.db2.gz	YLCLYJACXSDMPD-SNVBAGLBSA-N	-1	0	311.363	0.379	20	30		DCEDRM
C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)NCC(=O)[O-]	ZINC001604394776	1169581200	/nfs/dbraw/zinc/58/12/00/1169581200.db2.gz	QYEOCUIUPFAJRC-JTQLQIEISA-N	-1	0	316.313	0.722	20	30		DCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCO1	ZINC001604484498	1169602051	/nfs/dbraw/zinc/60/20/51/1169602051.db2.gz	IRIPHILLNROYTP-LLVKDONJSA-N	-1	0	300.292	0.281	20	30		DCEDRM
CC1(C)OC[C@H](/C=C/C(=O)N2CCC(C#N)(C(=O)[O-])CC2)O1	ZINC001604562367	1169619761	/nfs/dbraw/zinc/61/97/61/1169619761.db2.gz	SIHFKXMTAYVEDA-UFFNRZRYSA-N	-1	0	308.334	0.911	20	30		DCEDRM
C[C@@]1(CCC(=O)[O-])NC(=O)N(Cc2ccnc(C#N)c2)C1=O	ZINC001604572938	1169620997	/nfs/dbraw/zinc/62/09/97/1169620997.db2.gz	XHQSLMVFKYIICG-AWEZNQCLSA-N	-1	0	302.290	0.629	20	30		DCEDRM
CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001604981865	1169770306	/nfs/dbraw/zinc/77/03/06/1169770306.db2.gz	VCEWSWMSOWAZAA-SNVBAGLBSA-N	-1	0	319.317	0.897	20	30		DCEDRM
COC[C@H](C)[C@@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001605049862	1169795402	/nfs/dbraw/zinc/79/54/02/1169795402.db2.gz	XGRDDXLTSAVDKJ-NKWVEPMBSA-N	-1	0	304.314	0.319	20	30		DCEDRM
COc1cccc(O)c1C=NCCn1cnc(-c2nnn[n-]2)n1	ZINC001605321388	1169893172	/nfs/dbraw/zinc/89/31/72/1169893172.db2.gz	CQWCUJZNGMBUPU-VGOFMYFVSA-N	-1	0	314.309	0.292	20	30		DCEDRM
CCCc1nc(C(N)=O)nn1Cc1cccc(C(=O)[O-])c1C#N	ZINC001605378477	1169908510	/nfs/dbraw/zinc/90/85/10/1169908510.db2.gz	GCVOHCULNIBOLF-UHFFFAOYSA-N	-1	0	313.317	0.948	20	30		DCEDRM
CCc1cc(N2CCC(C#N)(C(=O)[O-])CC2)n2ncnc2n1	ZINC001605799623	1170005256	/nfs/dbraw/zinc/00/52/56/1170005256.db2.gz	IZDBTCUEWRPJLP-UHFFFAOYSA-N	-1	0	300.322	0.881	20	30		DCEDRM
CCc1ccc(C#CC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cc1	ZINC001605804979	1170006130	/nfs/dbraw/zinc/00/61/30/1170006130.db2.gz	ZCDLPRXLZCDDGY-AWEZNQCLSA-N	-1	0	312.329	0.462	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)NCc1ccco1	ZINC001606017151	1170050566	/nfs/dbraw/zinc/05/05/66/1170050566.db2.gz	BFLGMWKIRUYMHY-UHFFFAOYSA-N	-1	0	312.293	0.153	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)NCc2nc(-c3nn[nH]n3)cs2)C1	ZINC001606344570	1170163303	/nfs/dbraw/zinc/16/33/03/1170163303.db2.gz	NJSJEOBPZWTIBN-NSHDSACASA-N	-1	0	322.329	0.470	20	30		DCEDRM
COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001606341552	1170163505	/nfs/dbraw/zinc/16/35/05/1170163505.db2.gz	JYTMFLPZKYARLA-MJBXVCDLSA-N	-1	0	318.329	0.540	20	30		DCEDRM
N#CC1(NC(=O)c2cccc(-c3nn[nH]n3)n2)CCSCC1	ZINC001606344852	1170163708	/nfs/dbraw/zinc/16/37/08/1170163708.db2.gz	UQLBWMHOMRNWIE-UHFFFAOYSA-N	-1	0	315.362	0.781	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCC[C@H](F)C2)[n-]c1-c1nn[nH]n1	ZINC001606354871	1170167408	/nfs/dbraw/zinc/16/74/08/1170167408.db2.gz	WASKDHIIERTLOL-RQJHMYQMSA-N	-1	0	304.289	0.928	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@]23CCC[C@H]2OCC3)[n-]c1-c1nn[nH]n1	ZINC001606355686	1170168389	/nfs/dbraw/zinc/16/83/89/1170168389.db2.gz	LOMLPZQYQNGSPV-OQPBUACISA-N	-1	0	314.309	0.359	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cc(C#N)ccn1	ZINC001606370974	1170172598	/nfs/dbraw/zinc/17/25/98/1170172598.db2.gz	QCYNMUIQHNLRBL-CMPLNLGQSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cc(C#N)ccn1	ZINC001606370975	1170172744	/nfs/dbraw/zinc/17/27/44/1170172744.db2.gz	QCYNMUIQHNLRBL-JQWIXIFHSA-N	-1	0	317.301	0.432	20	30		DCEDRM
N#Cc1ccccc1OCCn1cc(-c2nnn[n-]2)ccc1=O	ZINC001606389149	1170178808	/nfs/dbraw/zinc/17/88/08/1170178808.db2.gz	MQTUZOMDSMTDAY-UHFFFAOYSA-N	-1	0	308.301	0.979	20	30		DCEDRM
N#Cc1ncc(NCc2cn3ccccc3n2)nc1-c1nnn[n-]1	ZINC001606398120	1170183272	/nfs/dbraw/zinc/18/32/72/1170183272.db2.gz	MXKZMYARXWUEPV-UHFFFAOYSA-N	-1	0	318.304	0.788	20	30		DCEDRM
COC(=O)[C@@H]1COCCN1Cc1cccc(C(=O)[O-])c1C#N	ZINC001606430562	1170198428	/nfs/dbraw/zinc/19/84/28/1170198428.db2.gz	CIWHUMDOAGPDPN-ZDUSSCGKSA-N	-1	0	304.302	0.630	20	30		DCEDRM
COc1cc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])ccc1C#N	ZINC001607157451	1170411241	/nfs/dbraw/zinc/41/12/41/1170411241.db2.gz	GQQNQPHYIJQEQI-CYBMUJFWSA-N	-1	0	317.345	0.732	20	30		DCEDRM
COc1ccccc1N1CC[C@@H](N(CC#N)CC(=O)[O-])C1=O	ZINC001607345981	1170431046	/nfs/dbraw/zinc/43/10/46/1170431046.db2.gz	DXCIGDSXMRBQCD-GFCCVEGCSA-N	-1	0	303.318	0.711	20	30		DCEDRM
CSC1([C@@H](C#N)N(C)C(=O)Cn2cc(C(=O)[O-])cn2)CC1	ZINC001607389469	1170444454	/nfs/dbraw/zinc/44/44/54/1170444454.db2.gz	HDTBXIFEJVNSBY-SNVBAGLBSA-N	-1	0	308.363	0.827	20	30		DCEDRM
C[C@@H]1CN(c2nnc(-c3ccnc(C#N)c3)n2C)C[C@H]1C(=O)[O-]	ZINC001607440440	1170453609	/nfs/dbraw/zinc/45/36/09/1170453609.db2.gz	GYPBBWNXVDBJNS-BXKDBHETSA-N	-1	0	312.333	0.906	20	30		DCEDRM
C[C@@]1(O)C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001607481412	1170465145	/nfs/dbraw/zinc/46/51/45/1170465145.db2.gz	DNQBDRZJMRVEIX-SWZMTVOYSA-N	-1	0	310.331	0.448	20	30		DCEDRM
Cc1c(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cnn1CCC#N	ZINC001607505654	1170469386	/nfs/dbraw/zinc/46/93/86/1170469386.db2.gz	PRVWDIOKAKDUQX-RYUDHWBXSA-N	-1	0	306.322	0.155	20	30		DCEDRM
Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N[C@H](C)CC#N	ZINC001607701621	1170497334	/nfs/dbraw/zinc/49/73/34/1170497334.db2.gz	PNLXFJCEPXBQBK-SNVBAGLBSA-N	-1	0	319.317	0.815	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001607724270	1170500527	/nfs/dbraw/zinc/50/05/27/1170500527.db2.gz	KKJOJHQQHHTUOE-GFCCVEGCSA-N	-1	0	304.302	0.813	20	30		DCEDRM
Cc1cccn2c(=O)cc(CN(CC#N)CCC(=O)[O-])nc12	ZINC001607886300	1170515520	/nfs/dbraw/zinc/51/55/20/1170515520.db2.gz	AWHXPRFLJLBDET-UHFFFAOYSA-N	-1	0	300.318	0.803	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](CF)C(=O)[O-]	ZINC001608006290	1170546514	/nfs/dbraw/zinc/54/65/14/1170546514.db2.gz	UEBJBQKZRZVVPO-LBPRGKRZSA-N	-1	0	310.329	0.885	20	30		DCEDRM
Cn1nccc1[C@H](NCC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC001608162371	1170602808	/nfs/dbraw/zinc/60/28/08/1170602808.db2.gz	FISMINFPOOTKOO-AWEZNQCLSA-N	-1	0	313.317	0.646	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCCCN2CCOC2=O)CC1	ZINC001608172275	1170609070	/nfs/dbraw/zinc/60/90/70/1170609070.db2.gz	WXZMERHGDLPORW-UHFFFAOYSA-N	-1	0	324.337	0.229	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(CN2C[C@@]3(CCCOC3)C2=O)CC1	ZINC001608174506	1170609378	/nfs/dbraw/zinc/60/93/78/1170609378.db2.gz	OTDCRPBUDQYJOR-OAHLLOKOSA-N	-1	0	307.350	0.273	20	30		DCEDRM
N#C[C@H]1CSCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001608178754	1170610902	/nfs/dbraw/zinc/61/09/02/1170610902.db2.gz	BEOHWPOGZNBJPO-QMMMGPOBSA-N	-1	0	313.360	0.409	20	30		DCEDRM
N#CC1(N(C2CC2)S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCC1	ZINC001608177281	1170610955	/nfs/dbraw/zinc/61/09/55/1170610955.db2.gz	QIGAHUGPFNVCLB-UHFFFAOYSA-N	-1	0	324.362	0.567	20	30		DCEDRM
N#C[C@H]1CSCCN1S(=O)(=O)c1csnc1C(=O)[O-]	ZINC001608179666	1170611033	/nfs/dbraw/zinc/61/10/33/1170611033.db2.gz	MKLUYDMSSNANIB-LURJTMIESA-N	-1	0	319.389	0.471	20	30		DCEDRM
N#CCCN1CCN(C(=O)CCCn2ccc(C(=O)[O-])n2)CC1	ZINC001608184723	1170611540	/nfs/dbraw/zinc/61/15/40/1170611540.db2.gz	UNPITQBVUYOJSY-UHFFFAOYSA-N	-1	0	319.365	0.419	20	30		DCEDRM
N#CCCN1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC1	ZINC001608183561	1170611549	/nfs/dbraw/zinc/61/15/49/1170611549.db2.gz	DSIUNSORUXPOAE-UHFFFAOYSA-N	-1	0	316.361	0.855	20	30		DCEDRM
N#CCN(C(=O)COC(=O)C1(C(=O)[O-])CC1)c1ccccc1	ZINC001608183311	1170611987	/nfs/dbraw/zinc/61/19/87/1170611987.db2.gz	LFUCRYBTZWOTEI-UHFFFAOYSA-N	-1	0	302.286	0.951	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1cnc(Cl)c(F)c1	ZINC001608188299	1170612817	/nfs/dbraw/zinc/61/28/17/1170612817.db2.gz	TZFUIHQPWXUDJH-UHFFFAOYSA-N	-1	0	321.717	0.863	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N[C@H](Cn1ccnc1)C(=O)[O-]	ZINC001608189236	1170613117	/nfs/dbraw/zinc/61/31/17/1170613117.db2.gz	IXSFIKAKDHJBKS-CQSZACIVSA-N	-1	0	312.329	0.761	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])cn1	ZINC001608200102	1170613628	/nfs/dbraw/zinc/61/36/28/1170613628.db2.gz	CMFVIJTUYMEEPZ-LLVKDONJSA-N	-1	0	302.315	0.835	20	30		DCEDRM
N#Cc1cc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)c(F)cc1F	ZINC001608198211	1170613721	/nfs/dbraw/zinc/61/37/21/1170613721.db2.gz	TXMYAOGAHZINQP-CYBMUJFWSA-N	-1	0	311.244	0.890	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)NCC1(C(=O)[O-])CC1	ZINC001608198066	1170613754	/nfs/dbraw/zinc/61/37/54/1170613754.db2.gz	KVMPUGJHMNWBQD-UHFFFAOYSA-N	-1	0	305.265	0.617	20	30		DCEDRM
N#Cc1cc2c(n(CCc3cn(CC(=O)[O-])nn3)c1=O)CCC2	ZINC001608198438	1170613788	/nfs/dbraw/zinc/61/37/88/1170613788.db2.gz	GXIIQSQUHLMAEH-UHFFFAOYSA-N	-1	0	313.317	0.127	20	30		DCEDRM
N#Cc1c(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)nc2n1CCS2	ZINC001608194651	1170613963	/nfs/dbraw/zinc/61/39/63/1170613963.db2.gz	TWXOIQQGQDAZJR-SFYZADRCSA-N	-1	0	308.319	0.431	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)cc1	ZINC001608206722	1170614863	/nfs/dbraw/zinc/61/48/63/1170614863.db2.gz	ZEIXROMEJGYIJX-HNNXBMFYSA-N	-1	0	317.301	0.247	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1	ZINC001608204188	1170614875	/nfs/dbraw/zinc/61/48/75/1170614875.db2.gz	WAFHGDAGKCHALZ-BLLLJJGKSA-N	-1	0	315.329	0.445	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)o1	ZINC001608211739	1170616128	/nfs/dbraw/zinc/61/61/28/1170616128.db2.gz	HWGCXBUBDKZAHV-XPUUQOCRSA-N	-1	0	306.246	0.395	20	30		DCEDRM
N#Cc1ccc(N(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C2CC2)cn1	ZINC001608208057	1170616140	/nfs/dbraw/zinc/61/61/40/1170616140.db2.gz	ZYBBYCAMXCHRCE-KGLIPLIRSA-N	-1	0	314.345	0.759	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCSC[C@H]2C(=O)[O-])nc1	ZINC001608210975	1170616377	/nfs/dbraw/zinc/61/63/77/1170616377.db2.gz	WPHMXNWPDWCDTN-VIFPVBQESA-N	-1	0	313.360	0.144	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N[C@H](C(=O)[O-])C2CCOCC2)c1	ZINC001608218177	1170617189	/nfs/dbraw/zinc/61/71/89/1170617189.db2.gz	ITKUTCIWCRXIRA-HNNXBMFYSA-N	-1	0	318.329	0.933	20	30		DCEDRM
N#Cc1cccc([C@H](C(=O)[O-])N2CCN3C(=O)OC[C@H]3C2)c1	ZINC001608215956	1170617423	/nfs/dbraw/zinc/61/74/23/1170617423.db2.gz	UOIJJZKUPAFLBR-CHWSQXEVSA-N	-1	0	301.302	0.820	20	30		DCEDRM
N#Cc1ccccc1OC[C@@H](O)CN1CCO[C@@H](C(=O)[O-])C1	ZINC001608219095	1170618112	/nfs/dbraw/zinc/61/81/12/1170618112.db2.gz	JMANNEYXRUZQRI-GXTWGEPZSA-N	-1	0	306.318	0.083	20	30		DCEDRM
N#Cc1ccsc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC001608222641	1170618335	/nfs/dbraw/zinc/61/83/35/1170618335.db2.gz	GFNXTYRIQKWYSV-DTWKUNHWSA-N	-1	0	307.331	0.928	20	30		DCEDRM
N#Cc1ccccc1/C=C\C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001608221369	1170618830	/nfs/dbraw/zinc/61/88/30/1170618830.db2.gz	TZKPDYFJMQHMHS-WAYWQWQTSA-N	-1	0	323.312	0.945	20	30		DCEDRM
N#Cc1nccc(N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)n1	ZINC001608225083	1170619459	/nfs/dbraw/zinc/61/94/59/1170619459.db2.gz	DZKWMQJYAXVFKE-HNNXBMFYSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N1CCN(CC(=O)[O-])CC1	ZINC001608225111	1170619855	/nfs/dbraw/zinc/61/98/55/1170619855.db2.gz	PAJCVUCMJMMIDB-UHFFFAOYSA-N	-1	0	315.376	0.011	20	30		DCEDRM
N#Cc1ncc(N(CCC(=O)[O-])C[C@@H]2CCCO2)nc1C#N	ZINC001608224927	1170619886	/nfs/dbraw/zinc/61/98/86/1170619886.db2.gz	AKQQPTWOVZFYLZ-JTQLQIEISA-N	-1	0	301.306	0.680	20	30		DCEDRM
O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1	ZINC001608999636	1170782985	/nfs/dbraw/zinc/78/29/85/1170782985.db2.gz	KVKYPHNCKQXHQG-LLVKDONJSA-N	-1	0	300.318	0.023	20	30		DCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)Cc1ccc(F)cc1-c1nn[nH]n1	ZINC001609019296	1170785153	/nfs/dbraw/zinc/78/51/53/1170785153.db2.gz	QPVCILBBHQSLCB-SECBINFHSA-N	-1	0	323.353	0.789	20	30		DCEDRM
C=C(C)CCc1noc([C@H](C)n2cnc(-c3nnn[n-]3)n2)n1	ZINC001609051165	1170793039	/nfs/dbraw/zinc/79/30/39/1170793039.db2.gz	PXPVXXPUXILOPR-QMMMGPOBSA-N	-1	0	301.314	0.959	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)C(C)C	ZINC001609054373	1170794474	/nfs/dbraw/zinc/79/44/74/1170794474.db2.gz	IGDCSVMOJFVNRL-VXGBXAGGSA-N	-1	0	319.365	0.981	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC001609054453	1170794510	/nfs/dbraw/zinc/79/45/10/1170794510.db2.gz	KRRMMZAAPAHQLU-GXFFZTMASA-N	-1	0	316.313	0.345	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCOc1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC001609078841	1170802446	/nfs/dbraw/zinc/80/24/46/1170802446.db2.gz	LKZQRQRPONFGLL-GFCCVEGCSA-N	-1	0	304.302	0.147	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COc1cnc(-c2nnn[n-]2)nc1	ZINC001609086409	1170804064	/nfs/dbraw/zinc/80/40/64/1170804064.db2.gz	FBPPAZDYCZPELB-ZDUSSCGKSA-N	-1	0	316.325	0.090	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001609225974	1170880234	/nfs/dbraw/zinc/88/02/34/1170880234.db2.gz	DJAFRNFORDKLQC-BZPMIXESSA-N	-1	0	312.366	0.853	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001609266893	1170904463	/nfs/dbraw/zinc/90/44/63/1170904463.db2.gz	FLGZSLFXUGPFAI-VIFPVBQESA-N	-1	0	310.281	0.780	20	30		DCEDRM
C=CC[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccncc1	ZINC001609320378	1170934897	/nfs/dbraw/zinc/93/48/97/1170934897.db2.gz	IEFYTXUCEGEBRZ-STQMWFEESA-N	-1	0	317.345	0.748	20	30		DCEDRM
COCCCNN=C1CCCc2c1c[nH]c(=O)c2-c1nnn[n-]1	ZINC001609323712	1170937707	/nfs/dbraw/zinc/93/77/07/1170937707.db2.gz	VTTQLSXVRGDHJI-UHFFFAOYSA-N	-1	0	317.353	0.634	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001609324733	1170938150	/nfs/dbraw/zinc/93/81/50/1170938150.db2.gz	MSQXQQLNMWCCRG-VIFPVBQESA-N	-1	0	324.308	0.906	20	30		DCEDRM
C=CCCn1cc(C(=O)Nc2nnc(CCC(=O)[O-])s2)nn1	ZINC001609345972	1170946434	/nfs/dbraw/zinc/94/64/34/1170946434.db2.gz	UAOGZGKIWWZLII-UHFFFAOYSA-N	-1	0	322.350	0.975	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(N2CCCC2)nn1)C(=O)[O-]	ZINC001609442823	1170978625	/nfs/dbraw/zinc/97/86/25/1170978625.db2.gz	GZAUSGNGQAHRAA-GFCCVEGCSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1O)C(=O)[O-]	ZINC001609442815	1170978737	/nfs/dbraw/zinc/97/87/37/1170978737.db2.gz	GXINIXXKPYQJML-GFCCVEGCSA-N	-1	0	322.317	0.736	20	30		DCEDRM
CC#CCCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001609488501	1170995355	/nfs/dbraw/zinc/99/53/55/1170995355.db2.gz	BRBBRPZVXIXRQT-UHFFFAOYSA-N	-1	0	312.303	0.985	20	30		DCEDRM
CC(=O)N1CC(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC001609584497	1171030155	/nfs/dbraw/zinc/03/01/55/1171030155.db2.gz	VYSJXUHKPFWYKA-ZDUSSCGKSA-N	-1	0	302.286	0.705	20	30		DCEDRM
C[C@H](C#N)Oc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1	ZINC001609631931	1171055278	/nfs/dbraw/zinc/05/52/78/1171055278.db2.gz	VMSGKXJNDRNGIF-BXUZGUMPSA-N	-1	0	317.345	0.753	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NC1(C(=O)[O-])CCSCC1	ZINC001609630900	1171055749	/nfs/dbraw/zinc/05/57/49/1171055749.db2.gz	IUJMUVVPDUOPAF-SECBINFHSA-N	-1	0	321.424	0.263	20	30		DCEDRM
C[C@H](C(=O)Nc1cccc(CC(=O)[O-])n1)n1cnc(C#N)n1	ZINC001609637845	1171057616	/nfs/dbraw/zinc/05/76/16/1171057616.db2.gz	PGANYGACVWECAV-MRVPVSSYSA-N	-1	0	300.278	0.372	20	30		DCEDRM
CC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccc(C#N)[nH]1)C(=O)[O-]	ZINC001609902370	1171119734	/nfs/dbraw/zinc/11/97/34/1171119734.db2.gz	LTYSOFMAYMDXEH-QPUJVOFHSA-N	-1	0	307.306	0.659	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H](C(=O)[O-])C1	ZINC001610169346	1171185013	/nfs/dbraw/zinc/18/50/13/1171185013.db2.gz	ORMQAOYDBIKHJT-UONOGXRCSA-N	-1	0	315.325	0.903	20	30		DCEDRM
Cc1c(NC(=O)C(=O)NCC2(CC#N)CC2)cnn1CC(=O)[O-]	ZINC001610421252	1171234589	/nfs/dbraw/zinc/23/45/89/1171234589.db2.gz	OOTILXXCVARHAL-UHFFFAOYSA-N	-1	0	319.321	0.025	20	30		DCEDRM
Cc1ccc(C(=O)NCC(=O)N(CC#N)CC(=O)[O-])cc1C	ZINC001610484660	1171242596	/nfs/dbraw/zinc/24/25/96/1171242596.db2.gz	VAAMCDHGAIATSV-UHFFFAOYSA-N	-1	0	303.318	0.470	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@](O)(CC#N)C1	ZINC001610488296	1171242885	/nfs/dbraw/zinc/24/28/85/1171242885.db2.gz	CAVWZAKHGALXGZ-MRXNPFEDSA-N	-1	0	317.345	0.982	20	30		DCEDRM
Cc1nc(C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc1C#N	ZINC001610551858	1171252585	/nfs/dbraw/zinc/25/25/85/1171252585.db2.gz	DRFXGUAAUPVZEP-ZDUSSCGKSA-N	-1	0	319.317	0.644	20	30		DCEDRM
Cn1ccc([C@@H](NS(=O)(=O)c2ccccc2C#N)C(=O)[O-])n1	ZINC001610608493	1171265726	/nfs/dbraw/zinc/26/57/26/1171265726.db2.gz	ITLNDFGQTPKEPL-GFCCVEGCSA-N	-1	0	320.330	0.396	20	30		DCEDRM
N#CCC1(O)CN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C1	ZINC001610620393	1171270855	/nfs/dbraw/zinc/27/08/55/1171270855.db2.gz	FPSZZQHVCXOCNT-GFCCVEGCSA-N	-1	0	306.318	0.085	20	30		DCEDRM
N#Cc1c(COC(=O)[C@@H]2CCS(=O)(=O)C2)cccc1C(=O)[O-]	ZINC001610625470	1171271768	/nfs/dbraw/zinc/27/17/68/1171271768.db2.gz	VQSIKRSJMIYKIR-SNVBAGLBSA-N	-1	0	323.326	0.734	20	30		DCEDRM
N#CCN1CCN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	ZINC001610622642	1171271851	/nfs/dbraw/zinc/27/18/51/1171271851.db2.gz	DNDHMZZSJXSHNN-NEPJUHHUSA-N	-1	0	315.395	0.101	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)CN2CCOCC2)C(=O)[O-])c1	ZINC001610631830	1171272410	/nfs/dbraw/zinc/27/24/10/1171272410.db2.gz	KCORWHHJLKITRE-CQSZACIVSA-N	-1	0	304.302	0.559	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)nc1	ZINC001610628092	1171272753	/nfs/dbraw/zinc/27/27/53/1171272753.db2.gz	OHQPWWFGOQJCCV-CYBMUJFWSA-N	-1	0	318.333	0.320	20	30		DCEDRM
N#Cc1cccc(CNC(=O)Cn2cc(C(=O)[O-])ccc2=O)c1	ZINC001610630716	1171272845	/nfs/dbraw/zinc/27/28/45/1171272845.db2.gz	CQWAVBNCYJYLQZ-UHFFFAOYSA-N	-1	0	311.297	0.735	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NC[C@H]1COC2(CCOCC2)O1	ZINC001610634371	1171273743	/nfs/dbraw/zinc/27/37/43/1171273743.db2.gz	ZGFNZHBGNYLPLM-JTQLQIEISA-N	-1	0	319.317	0.985	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)nn1	ZINC001611128706	1171352594	/nfs/dbraw/zinc/35/25/94/1171352594.db2.gz	IEHLZIHWWOGYRH-UHFFFAOYSA-N	-1	0	311.301	0.795	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCC[C@@H]2CCCCO2)c(=O)[n-]c1=O	ZINC001611194314	1171353477	/nfs/dbraw/zinc/35/34/77/1171353477.db2.gz	INJKWJNCYDFOLL-LBPRGKRZSA-N	-1	0	320.349	0.286	20	30		DCEDRM
Cc1ccc(O)c(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001624549595	1171457315	/nfs/dbraw/zinc/45/73/15/1171457315.db2.gz	HYFFLUXUNSZLRR-UHFFFAOYSA-N	-1	0	314.301	0.863	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)nn1	ZINC001633387809	1171639977	/nfs/dbraw/zinc/63/99/77/1171639977.db2.gz	XLNKHPKIVUTNGR-JTQLQIEISA-N	-1	0	320.382	0.298	20	30		DCEDRM
C=CCO[N-]C(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1	ZINC001635640290	1171709773	/nfs/dbraw/zinc/70/97/73/1171709773.db2.gz	DOEXNQYBUBIQMR-NSHDSACASA-N	-1	0	306.322	0.411	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC001639298168	1171830991	/nfs/dbraw/zinc/83/09/91/1171830991.db2.gz	JGIDFBNWEIDTGD-JTQLQIEISA-N	-1	0	309.322	0.991	20	30		DCEDRM
N#CCNC(=O)CNC(=O)c1c(O)cnc2c(F)cccc21	ZINC001640246576	1171871592	/nfs/dbraw/zinc/87/15/92/1171871592.db2.gz	ZUFJPIRYXRDLQV-UHFFFAOYSA-N	-1	0	302.265	0.449	20	30		DCEDRM
N#Cc1nn(CC(=O)[N-]OCc2ccccc2)cc1[N+](=O)[O-]	ZINC001641302375	1171911752	/nfs/dbraw/zinc/91/17/52/1171911752.db2.gz	UUBAVIXWAURMRP-UHFFFAOYSA-N	-1	0	301.262	0.911	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC001642563307	1171949941	/nfs/dbraw/zinc/94/99/41/1171949941.db2.gz	XVZFVPUZMPXPLY-CYBMUJFWSA-N	-1	0	315.333	0.915	20	30		DCEDRM
Cc1cc(Cn2c(=O)[n-]cc(C#N)c2=O)cnc1Br	ZINC001644021684	1171994330	/nfs/dbraw/zinc/99/43/30/1171994330.db2.gz	DWINXWJXCRQCNV-UHFFFAOYSA-N	-1	0	321.134	0.923	20	30		DCEDRM
CCc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2C#N)nn1C	ZINC001645667230	1172093834	/nfs/dbraw/zinc/09/38/34/1172093834.db2.gz	QQWPDTBABVJNSA-UHFFFAOYSA-N	-1	0	318.358	0.973	20	30		DCEDRM
C=CCCONC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001647929195	1173062322	/nfs/dbraw/zinc/06/23/22/1173062322.db2.gz	TYRRGTJFRQZNRH-UHFFFAOYSA-N	-1	0	303.322	0.810	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2ccn(-c3ccccc3)n2)c(C#N)c1=O	ZINC001652252669	1173766222	/nfs/dbraw/zinc/76/62/22/1173766222.db2.gz	OXXVTSGJIIFCOC-UHFFFAOYSA-N	-1	0	308.301	0.875	20	30		DCEDRM
CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[N-]OC	ZINC001653053393	1173780853	/nfs/dbraw/zinc/78/08/53/1173780853.db2.gz	DXIDNWWHZGFADE-SNVBAGLBSA-N	-1	0	313.354	0.087	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCOc2ncccc2Cl)c(C#N)c1=O	ZINC001655231714	1173817253	/nfs/dbraw/zinc/81/72/53/1173817253.db2.gz	MCYXVUASPQYQEM-UHFFFAOYSA-N	-1	0	321.724	0.485	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001673059278	1175171058	/nfs/dbraw/zinc/17/10/58/1175171058.db2.gz	LQMBTRGSJPFYMG-XHDPSFHLSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=CCCC(=O)NCC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC001714963774	1181618534	/nfs/dbraw/zinc/61/85/34/1181618534.db2.gz	ZQDVIUIMBRXNFX-UHFFFAOYSA-N	-1	0	315.377	0.537	20	30		DCEDRM
C#Cc1ccc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)cc1	ZINC001715527086	1181842386	/nfs/dbraw/zinc/84/23/86/1181842386.db2.gz	IDLLEEGFGHNBRW-UHFFFAOYSA-N	-1	0	313.361	0.696	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N(CC)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001721141667	1183845687	/nfs/dbraw/zinc/84/56/87/1183845687.db2.gz	AGQGCZJJOGCRSL-LLVKDONJSA-N	-1	0	322.365	0.040	20	30		DCEDRM
C#CCN1CC[C@@H]1CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001723485773	1184316995	/nfs/dbraw/zinc/31/69/95/1184316995.db2.gz	ZSNPJCXHWUUYCO-SECBINFHSA-N	-1	0	305.300	0.267	20	30		DCEDRM
C#CCCCCC(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001747654253	1185185870	/nfs/dbraw/zinc/18/58/70/1185185870.db2.gz	ILVKLDIPZZTWEZ-LBPRGKRZSA-N	-1	0	318.377	0.948	20	30		DCEDRM
CC#CC[NH+]1CCC(CO)(NC(=O)c2c(C)nc[nH]c2=O)CC1	ZINC001733914366	1186495979	/nfs/dbraw/zinc/49/59/79/1186495979.db2.gz	IJCNWLDDDUYIAY-UHFFFAOYSA-N	-1	0	318.377	0.071	20	30		DCEDRM
C#CCCCC(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001734758343	1186738030	/nfs/dbraw/zinc/73/80/30/1186738030.db2.gz	YNRPKXSCBHOSST-JTQLQIEISA-N	-1	0	306.366	0.804	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCCCNC(=O)[C@H](C)C#N)c1[O-]	ZINC001735669258	1186933657	/nfs/dbraw/zinc/93/36/57/1186933657.db2.gz	QXQVJTCEXWCPLP-NXEZZACHSA-N	-1	0	321.381	0.988	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001754563772	1188880308	/nfs/dbraw/zinc/88/03/08/1188880308.db2.gz	PEXNTTBLVYUHBZ-HNNXBMFYSA-N	-1	0	321.381	0.137	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001754563860	1188880340	/nfs/dbraw/zinc/88/03/40/1188880340.db2.gz	QNQLEVWDYZWYDI-INIZCTEOSA-N	-1	0	317.393	0.738	20	30		DCEDRM
C[C@@H](CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)N(C)CC#N	ZINC001755328518	1189081699	/nfs/dbraw/zinc/08/16/99/1189081699.db2.gz	QSVMBBIUCQZKDO-QMMMGPOBSA-N	-1	0	308.304	0.404	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001756543412	1189389529	/nfs/dbraw/zinc/38/95/29/1189389529.db2.gz	PMHOVNOVGDPSSX-GHMZBOCLSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C=CCOCC(=O)N1CCC(NC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001758289965	1189813618	/nfs/dbraw/zinc/81/36/18/1189813618.db2.gz	SZXPNXCYWWENRA-UHFFFAOYSA-N	-1	0	322.365	0.347	20	30		DCEDRM
C[C@@H](C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)n1cccc1	ZINC001771828862	1190517513	/nfs/dbraw/zinc/51/75/13/1190517513.db2.gz	YLFPZAKNCANZDA-JTQLQIEISA-N	-1	0	313.317	0.267	20	30		DCEDRM
N#Cc1ccccc1C(=O)N1CCC(NC(=O)C(=O)[O-])CC1	ZINC001143429003	747342956	/nfs/dbraw/zinc/34/29/56/747342956.db2.gz	GDVZUPWGWHAXSL-UHFFFAOYSA-N	-1	0	301.302	0.364	20	30		DCEDRM
Cc1cc(-n2c(N)c(C#N)c(N)nc2=NC2CC2)ccc1C(=O)[O-]	ZINC001211650015	747879092	/nfs/dbraw/zinc/87/90/92/747879092.db2.gz	LEZQWEWMYHCRRU-UHFFFAOYSA-N	-1	0	324.344	0.978	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nccc(=S)[nH]1	ZINC001228125614	749381120	/nfs/dbraw/zinc/38/11/20/749381120.db2.gz	IVJIGKIRRZHJNT-QMMMGPOBSA-N	-1	0	306.365	0.603	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(C#N)nn2)c1[O-]	ZINC001112990690	762073837	/nfs/dbraw/zinc/07/38/37/762073837.db2.gz	JQAIAQZMRDMNKO-SFYZADRCSA-N	-1	0	315.337	0.704	20	30		DCEDRM
C=CCCCC(=O)NCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001078100440	753035995	/nfs/dbraw/zinc/03/59/95/753035995.db2.gz	RYTNNGWPOLFJNY-VIFPVBQESA-N	-1	0	323.353	0.264	20	30		DCEDRM
C#CCN1CC[C@](C)(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001046772500	753938325	/nfs/dbraw/zinc/93/83/25/753938325.db2.gz	UNSDIJVQXFMBQC-HNNXBMFYSA-N	-1	0	300.318	0.756	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NCC1(NC(=O)c2cn[nH]n2)CCC1	ZINC001062667403	754863582	/nfs/dbraw/zinc/86/35/82/754863582.db2.gz	WKDPDBXRMLBZEB-NSHDSACASA-N	-1	0	321.381	0.555	20	30		DCEDRM
C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001048687402	754864912	/nfs/dbraw/zinc/86/49/12/754864912.db2.gz	QMLRWLFYKJWACM-QWRGUYRKSA-N	-1	0	322.365	0.034	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)c2nccnc2C#N)c1[O-]	ZINC001113551479	762380953	/nfs/dbraw/zinc/38/09/53/762380953.db2.gz	IYNSFAOGTQBSSO-MRVPVSSYSA-N	-1	0	315.337	0.340	20	30		DCEDRM
C=C(C)CCC(=O)N(CCO)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001057804603	759557051	/nfs/dbraw/zinc/55/70/51/759557051.db2.gz	NLOKZMUHZBJBGQ-UHFFFAOYSA-N	-1	0	324.381	0.331	20	30		DCEDRM
N#CCN[C@H]1C[C@@H](CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001086253235	759912093	/nfs/dbraw/zinc/91/20/93/759912093.db2.gz	XADJZIDPHREXLX-DTORHVGOSA-N	-1	0	301.306	0.550	20	30		DCEDRM
N#CCN[C@H]1C[C@H](CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001086533089	761633387	/nfs/dbraw/zinc/63/33/87/761633387.db2.gz	XADJZIDPHREXLX-KYZUINATSA-N	-1	0	301.306	0.550	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2c(C)[nH]c(=O)[nH]c2=S)C1=O	ZINC001123871584	768069058	/nfs/dbraw/zinc/06/90/58/768069058.db2.gz	MJFQGXHZWIEQSQ-SECBINFHSA-N	-1	0	322.390	0.638	20	30		DCEDRM
C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001100021056	763223890	/nfs/dbraw/zinc/22/38/90/763223890.db2.gz	WXDJLWCKRHAQOO-MNOVXSKESA-N	-1	0	323.397	0.164	20	30		DCEDRM
CCCn1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)cn1	ZINC000813984380	765300131	/nfs/dbraw/zinc/30/01/31/765300131.db2.gz	QJLWUHMALXFYLY-UHFFFAOYSA-N	-1	0	319.346	0.678	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@]3(CNCC#N)C2)c1[O-]	ZINC001112304286	765500117	/nfs/dbraw/zinc/50/01/17/765500117.db2.gz	KKHKIRMQKIUQMO-NHYWBVRUSA-N	-1	0	303.366	0.779	20	30		DCEDRM
Cc1ncc(CO)c(C=Nn2c(=O)c(C)n[n-]c2=S)c1O	ZINC001115832905	765829732	/nfs/dbraw/zinc/82/97/32/765829732.db2.gz	BFBKOBUQPLXSQK-UHFFFAOYSA-N	-1	0	307.335	0.019	20	30		DCEDRM
COc1nc(Cl)c(/C=C\C(=O)c2cnc([O-])n(C)c2=O)n1C	ZINC001116276577	765855425	/nfs/dbraw/zinc/85/54/25/765855425.db2.gz	UOFZTTOLPISASV-PLNGDYQASA-N	-1	0	324.724	0.778	20	30		DCEDRM
C=CCn1cc(CNC(=O)C(=O)[N-]OC2CCCCC2)nn1	ZINC001118178905	766247182	/nfs/dbraw/zinc/24/71/82/766247182.db2.gz	XTLQUPADZHNINH-UHFFFAOYSA-N	-1	0	307.354	0.461	20	30		DCEDRM
N#CCc1ccc(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cc1	ZINC001118228634	766261019	/nfs/dbraw/zinc/26/10/19/766261019.db2.gz	VQHPXZNQPZVSMO-CQSZACIVSA-N	-1	0	317.345	0.453	20	30		DCEDRM
C=CCNc1ncc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)s1	ZINC001136656965	766415982	/nfs/dbraw/zinc/41/59/82/766415982.db2.gz	ZANGBVFYSXMMGX-QMMMGPOBSA-N	-1	0	321.366	0.468	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001136808598	766542294	/nfs/dbraw/zinc/54/22/94/766542294.db2.gz	LSIYEQJVWAAGGQ-UHFFFAOYSA-N	-1	0	302.290	0.778	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)NCCCN1CCOCC1)C(=O)[O-]	ZINC001119577004	766735890	/nfs/dbraw/zinc/73/58/90/766735890.db2.gz	JTRQQTGCJYMPCM-LLVKDONJSA-N	-1	0	319.789	0.604	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H](OC)CC[C@H]1C	ZINC001121561486	767591907	/nfs/dbraw/zinc/59/19/07/767591907.db2.gz	DRHCUSMJKDHPMO-MNOVXSKESA-N	-1	0	318.381	0.692	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)o1	ZINC001122413739	767796129	/nfs/dbraw/zinc/79/61/29/767796129.db2.gz	YZOUZOUPOCCDFJ-JTQLQIEISA-N	-1	0	322.317	0.931	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@H](OC)CC2	ZINC001122428067	767800171	/nfs/dbraw/zinc/80/01/71/767800171.db2.gz	SDPDXXNBCNRSRW-MNOVXSKESA-N	-1	0	302.334	0.469	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(Br)nn1C	ZINC001122506535	767819988	/nfs/dbraw/zinc/81/99/88/767819988.db2.gz	KZRXUNZMVYCFKH-ZETCQYMHSA-N	-1	0	311.139	0.807	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(S(C)(=O)=O)c(C)o1	ZINC001122515504	767822219	/nfs/dbraw/zinc/82/22/19/767822219.db2.gz	FQONTDVJJZCWTJ-VIFPVBQESA-N	-1	0	310.331	0.616	20	30		DCEDRM
C=CCCCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1	ZINC001150203690	769038430	/nfs/dbraw/zinc/03/84/30/769038430.db2.gz	WKWHVZSYIPCMFN-GFCCVEGCSA-N	-1	0	323.397	0.574	20	30		DCEDRM
COC(=O)C[C@H](C#N)c1ccc(OC(=O)[C@H](O)CC(=O)[O-])cc1	ZINC001230993777	769149312	/nfs/dbraw/zinc/14/93/12/769149312.db2.gz	CLMBIJASPNHZEE-ZYHUDNBSSA-N	-1	0	321.285	0.598	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)c1nc[n-]c(=O)c1Br	ZINC001156158629	770735859	/nfs/dbraw/zinc/73/58/59/770735859.db2.gz	XLKJMBHUBVVKEU-LURJTMIESA-N	-1	0	302.128	0.612	20	30		DCEDRM
Cc1cc(NC(=N)SCCS(=O)(=O)[O-])nc(C#N)n1	ZINC001157322820	771585923	/nfs/dbraw/zinc/58/59/23/771585923.db2.gz	ZHQYZLUVYUTHCQ-UHFFFAOYSA-N	-1	0	301.353	0.624	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)CCC(=O)C2=CC=C[CH]2)CCN1C	ZINC001184243063	771762504	/nfs/dbraw/zinc/76/25/04/771762504.db2.gz	CVTISKHKUZHHBM-CYBMUJFWSA-N	-1	0	305.354	0.352	20	30		DCEDRM
COC(=O)C[C@@H]1CN(C(=O)CCC(=O)C2=CC=C[CH]2)CCO1	ZINC001184244111	771763196	/nfs/dbraw/zinc/76/31/96/771763196.db2.gz	PTGBSIGMTHLNBI-CYBMUJFWSA-N	-1	0	306.338	0.827	20	30		DCEDRM
CC(C)(C)OC(=O)[C@H](CO)NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184246781	771763230	/nfs/dbraw/zinc/76/32/30/771763230.db2.gz	ZZBBIHLJMXKSKD-LBPRGKRZSA-N	-1	0	308.354	0.855	20	30		DCEDRM
N#Cc1c(Cl)cc(C(=O)N[C@@H]2CO[N-]C2=O)nc1Cl	ZINC001184813540	771831371	/nfs/dbraw/zinc/83/13/71/771831371.db2.gz	QWNNUTZZSBIFOZ-SSDOTTSWSA-N	-1	0	301.089	0.420	20	30		DCEDRM
Cn1cc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c(C#N)n1	ZINC001185956453	771974727	/nfs/dbraw/zinc/97/47/27/771974727.db2.gz	ZHHPXFIVMIPIIS-UHFFFAOYSA-N	-1	0	302.319	0.969	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CO)C(F)(F)F)c1	ZINC001190669635	772652450	/nfs/dbraw/zinc/65/24/50/772652450.db2.gz	VTQKLUVNFODPCA-SECBINFHSA-N	-1	0	312.244	0.899	20	30		DCEDRM
N#C[C@@H]1CNCCN1C(=O)c1nc(Br)ccc1[O-]	ZINC001191737644	772819325	/nfs/dbraw/zinc/81/93/25/772819325.db2.gz	TWKAJCLWNXZGPL-SSDOTTSWSA-N	-1	0	311.139	0.487	20	30		DCEDRM
N#C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1F)C(N)=O	ZINC001191922280	772842765	/nfs/dbraw/zinc/84/27/65/772842765.db2.gz	SSWUIFYWPSIQJY-SECBINFHSA-N	-1	0	305.718	0.276	20	30		DCEDRM
C=C(C)C(=O)NCCCNC(=O)c1cc(C(=O)OC)ccc1[O-]	ZINC001192397358	772917358	/nfs/dbraw/zinc/91/73/58/772917358.db2.gz	RXSJMJUUAYWUAU-UHFFFAOYSA-N	-1	0	320.345	0.991	20	30		DCEDRM
COC(=O)c1ccc([O-])c(C(=O)N[C@@H](CC(C)C)C(=O)NO)c1	ZINC001192399651	772918881	/nfs/dbraw/zinc/91/88/81/772918881.db2.gz	DLEOOAIFHJVUCT-NSHDSACASA-N	-1	0	324.333	0.829	20	30		DCEDRM
CCOc1ccc(S(=O)(=O)NCCS)cc1C(=O)[O-]	ZINC001192656547	772942548	/nfs/dbraw/zinc/94/25/48/772942548.db2.gz	VLDLNKSWSVLECZ-UHFFFAOYSA-N	-1	0	305.377	0.992	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ncc(CO)cc1Br	ZINC001193106133	773005813	/nfs/dbraw/zinc/00/58/13/773005813.db2.gz	CLFRSMNLZYILDU-ZCFIWIBFSA-N	-1	0	320.168	0.990	20	30		DCEDRM
COC(=O)c1ncc(Cl)nc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193107124	773006495	/nfs/dbraw/zinc/00/64/95/773006495.db2.gz	OIJQKJPDSNXOMP-RXMQYKEDSA-N	-1	0	304.715	0.570	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ncccc1CN1CCOCC1	ZINC001193107195	773006576	/nfs/dbraw/zinc/00/65/76/773006576.db2.gz	QGNFMMXIGUHYDL-NSHDSACASA-N	-1	0	310.379	0.568	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccccc1S(=O)(=O)N(C)C	ZINC001193145683	773017775	/nfs/dbraw/zinc/01/77/75/773017775.db2.gz	AGTSGQCHVAHYTG-SECBINFHSA-N	-1	0	317.392	0.591	20	30		DCEDRM
CNC(=O)NC1CCN(C(=O)c2cccc(C#N)c2[O-])CC1	ZINC001193647088	773097513	/nfs/dbraw/zinc/09/75/13/773097513.db2.gz	VHKUUENTIPYAEL-UHFFFAOYSA-N	-1	0	302.334	0.797	20	30		DCEDRM
COC(=O)c1cc(C(=O)N=C(NO)c2ccc(C)cn2)n[n-]1	ZINC001194298034	773171885	/nfs/dbraw/zinc/17/18/85/773171885.db2.gz	PKZZVUGPHRFZNL-UHFFFAOYSA-N	-1	0	303.278	0.466	20	30		DCEDRM
CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1oncc1C#N	ZINC001195601028	773441247	/nfs/dbraw/zinc/44/12/47/773441247.db2.gz	HKVCIBULBWWAPI-UHFFFAOYSA-N	-1	0	322.302	0.919	20	30		DCEDRM
COC(=O)C[C@@H]1CN(C(=O)c2ccc(C#N)cc2[O-])CCO1	ZINC001195740611	773474352	/nfs/dbraw/zinc/47/43/52/773474352.db2.gz	BGVYEHMJQJVMGJ-LLVKDONJSA-N	-1	0	304.302	0.668	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1c(C#N)cnn1C(C)(C)C	ZINC001195934040	773505770	/nfs/dbraw/zinc/50/57/70/773505770.db2.gz	LFAFYMGOHJOKBW-UHFFFAOYSA-N	-1	0	314.367	0.815	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC(=O)N1CCCC1	ZINC001210484374	773712861	/nfs/dbraw/zinc/71/28/61/773712861.db2.gz	IMAXIEPCNMDRLH-LLVKDONJSA-N	-1	0	307.368	0.084	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001110502494	773858468	/nfs/dbraw/zinc/85/84/68/773858468.db2.gz	NCGPELJZITXLBB-OZWUEAAUSA-N	-1	0	321.381	0.059	20	30		DCEDRM
N#CCCCCCO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001224692500	775596808	/nfs/dbraw/zinc/59/68/08/775596808.db2.gz	KBINRVQEFKTKCD-ZDUSSCGKSA-N	-1	0	320.411	0.676	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nc[nH]c(=O)c1C	ZINC001226075603	775762122	/nfs/dbraw/zinc/76/21/22/775762122.db2.gz	ISRMJMLQMVOXEO-VIFPVBQESA-N	-1	0	304.324	0.328	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](Oc2nncc(=O)[n-]2)C[C@H]1C#N	ZINC001226168562	775775266	/nfs/dbraw/zinc/77/52/66/775775266.db2.gz	YIQGRDXGYMQHTB-DTWKUNHWSA-N	-1	0	307.310	0.858	20	30		DCEDRM
C=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1nncc(=O)[n-]1	ZINC001226167990	775775522	/nfs/dbraw/zinc/77/55/22/775775522.db2.gz	NIXSFVIJTHJNNL-UHFFFAOYSA-N	-1	0	323.305	0.563	20	30		DCEDRM
N#Cc1cc2ccc(OC(=O)[C@H](O)CC(=O)[O-])cc2oc1=O	ZINC001227378707	775968503	/nfs/dbraw/zinc/96/85/03/775968503.db2.gz	DSRZUQSITKZXFY-SNVBAGLBSA-N	-1	0	303.226	0.406	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nccc(=S)[nH]1	ZINC001228125612	776049524	/nfs/dbraw/zinc/04/95/24/776049524.db2.gz	IVJIGKIRRZHJNT-MRVPVSSYSA-N	-1	0	306.365	0.603	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncnc(C)c1C	ZINC001228321837	776071661	/nfs/dbraw/zinc/07/16/61/776071661.db2.gz	CGROAMMIUMTIQB-LLVKDONJSA-N	-1	0	302.352	0.931	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cnccc1[N+](=O)[O-]	ZINC001228881490	776132666	/nfs/dbraw/zinc/13/26/66/776132666.db2.gz	FIKIHPVSCLTCKC-SECBINFHSA-N	-1	0	318.307	0.828	20	30		DCEDRM
CO[C@H]1O[C@H](COc2[n-]c(=O)ccc2C#N)[C@H]2OC(C)(C)O[C@H]21	ZINC001228898007	776135699	/nfs/dbraw/zinc/13/56/99/776135699.db2.gz	AQKOONLJEPDUBZ-LHMODEAPSA-N	-1	0	322.317	0.929	20	30		DCEDRM
C=C(CNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CCOCC1	ZINC001465115148	804150044	/nfs/dbraw/zinc/15/00/44/804150044.db2.gz	IXVKXPRLPVARIQ-NEPJUHHUSA-N	-1	0	303.380	0.752	20	30		DCEDRM
C=CCCc1ccc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])cc1	ZINC001602881214	1169197478	/nfs/dbraw/zinc/19/74/78/1169197478.db2.gz	WDSOXJLXNZXMTI-CQSZACIVSA-N	-1	0	313.375	0.919	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c(CC)ncnc1CC)C(=O)[O-]	ZINC001602909111	1169203004	/nfs/dbraw/zinc/20/30/04/1169203004.db2.gz	NXXATLXGRGLMCE-GFCCVEGCSA-N	-1	0	307.350	0.987	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)NCC#N	ZINC001268220544	939994692	/nfs/dbraw/zinc/99/46/92/939994692.db2.gz	CAOKNBDQOVWJIS-SNVBAGLBSA-N	-1	0	303.322	0.796	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)C1CC1	ZINC001269099266	940617589	/nfs/dbraw/zinc/61/75/89/940617589.db2.gz	JYMYPKZHCPFZRH-NSHDSACASA-N	-1	0	307.398	0.305	20	30		DCEDRM
N#CCc1ccc(NC(=O)NCCn2cc(C(=O)[O-])nn2)cc1	ZINC000321464269	970774250	/nfs/dbraw/zinc/77/42/50/970774250.db2.gz	CPKYDXRFBALNTG-UHFFFAOYSA-N	-1	0	314.305	0.864	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)Nc2cccc(Cl)c2)c1=O	ZINC001412923405	942138554	/nfs/dbraw/zinc/13/85/54/942138554.db2.gz	UPTZZNKGLSOTRK-UHFFFAOYSA-N	-1	0	304.693	0.700	20	30		DCEDRM
C[C@@H]1CSC[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412931350	942144832	/nfs/dbraw/zinc/14/48/32/942144832.db2.gz	RWQRVLAWAXNGPY-SCZZXKLOSA-N	-1	0	308.363	0.078	20	30		DCEDRM
COCC[C@H]1COCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412999189	942187358	/nfs/dbraw/zinc/18/73/58/942187358.db2.gz	LTBFRPDULUEVOE-LBPRGKRZSA-N	-1	0	305.334	0.845	20	30		DCEDRM
CO[C@@](C)(CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001413013677	942199928	/nfs/dbraw/zinc/19/99/28/942199928.db2.gz	WKYFEJBCICAART-HNNXBMFYSA-N	-1	0	320.349	0.142	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCc2ccoc2)c(=O)[n-]c1=O	ZINC001413270830	942597142	/nfs/dbraw/zinc/59/71/42/942597142.db2.gz	UZIYSOQBJDPPNU-UHFFFAOYSA-N	-1	0	302.290	0.163	20	30		DCEDRM
C[C@H](Cc1ccco1)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413311740	942622339	/nfs/dbraw/zinc/62/23/39/942622339.db2.gz	VTHWARQOFSPCNP-SNVBAGLBSA-N	-1	0	316.317	0.409	20	30		DCEDRM
C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1cc(=O)n(C)[n-]1)CC2	ZINC001272353676	942711386	/nfs/dbraw/zinc/71/13/86/942711386.db2.gz	DJNBRVBILAYOHZ-LLVKDONJSA-N	-1	0	318.377	0.670	20	30		DCEDRM
N#Cc1ccc(NC(=O)CN[C@]2(C(=O)[O-])CCOC2)cc1Cl	ZINC001601106898	970934744	/nfs/dbraw/zinc/93/47/44/970934744.db2.gz	JFAKLYRZIJGSMW-CQSZACIVSA-N	-1	0	323.736	0.983	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC[C@H]2CCCS2)c(=O)[n-]c1=O	ZINC001413333639	942900499	/nfs/dbraw/zinc/90/04/99/942900499.db2.gz	WAHXQILJLUOZNN-SNVBAGLBSA-N	-1	0	308.363	0.222	20	30		DCEDRM
C#CCN(C(=O)/C(C)=C\C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001483982473	943070049	/nfs/dbraw/zinc/07/00/49/943070049.db2.gz	VSYZGBJGFSZASC-XGICHPGQSA-N	-1	0	317.393	0.903	20	30		DCEDRM
N#Cc1ccc(OC2CN(CCS(=O)(=O)CC(=O)[O-])C2)cc1	ZINC001611299787	970983856	/nfs/dbraw/zinc/98/38/56/970983856.db2.gz	VXPNLHIYDNPFOV-UHFFFAOYSA-N	-1	0	324.358	0.121	20	30		DCEDRM
CC(C)C#CC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001272805680	944237705	/nfs/dbraw/zinc/23/77/05/944237705.db2.gz	UJQDCONBGPFKCD-UHFFFAOYSA-N	-1	0	317.393	0.594	20	30		DCEDRM
C=CCC1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCC1	ZINC001316987735	944721654	/nfs/dbraw/zinc/72/16/54/944721654.db2.gz	URGFXEVTDIAIAQ-NSHDSACASA-N	-1	0	305.382	0.947	20	30		DCEDRM
C#CCOC[C@@H](O)CNc1nc[n-]c(=O)c1Br	ZINC001251829057	945786374	/nfs/dbraw/zinc/78/63/74/945786374.db2.gz	LSLXWXUFPUXQCT-ZETCQYMHSA-N	-1	0	302.128	0.367	20	30		DCEDRM
O=C([O-])CCOc1cccc(C=Nn2c(=O)cn[nH]c2=S)c1	ZINC001320791180	946020433	/nfs/dbraw/zinc/02/04/33/946020433.db2.gz	XJIYFAXFUJOEJN-UHFFFAOYSA-N	-1	0	320.330	0.663	20	30		DCEDRM
C=CC[C@H](NC(=O)NCCCOC[C@H]1CCCO1)C(=O)[O-]	ZINC001321112142	946172610	/nfs/dbraw/zinc/17/26/10/946172610.db2.gz	WAGUBIYERFCFTB-NEPJUHHUSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CC[C@@H](NC(=O)NCCCOC1CCOCC1)C(=O)[O-]	ZINC001321279056	946247351	/nfs/dbraw/zinc/24/73/51/946247351.db2.gz	WLNFBQDRENUMRO-GFCCVEGCSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-]	ZINC001321658143	946417259	/nfs/dbraw/zinc/41/72/59/946417259.db2.gz	PFBSXYCCDIVYBL-NXEZZACHSA-N	-1	0	301.364	0.347	20	30		DCEDRM
C#CC1(F)CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)C1	ZINC001602673665	971241102	/nfs/dbraw/zinc/24/11/02/971241102.db2.gz	ZWDNWWQBEBJQSJ-CYBMUJFWSA-N	-1	0	315.304	0.890	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-]	ZINC001256551947	946642209	/nfs/dbraw/zinc/64/22/09/946642209.db2.gz	YKPQWRKWVFFZJF-AAEUAGOBSA-N	-1	0	317.345	0.576	20	30		DCEDRM
C#CCCCc1nnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1CC	ZINC001602675856	971254929	/nfs/dbraw/zinc/25/49/29/971254929.db2.gz	WZAOPNAKISPZTB-MLGOLLRUSA-N	-1	0	318.377	0.791	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C1(c2ccc3c(c2)OCO3)CC1	ZINC001602682291	971268066	/nfs/dbraw/zinc/26/80/66/971268066.db2.gz	LQJADJWZSRSWFV-UHFFFAOYSA-N	-1	0	301.298	0.993	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC1CCN(c2cc(C)[nH]n2)CC1	ZINC001602683393	971272985	/nfs/dbraw/zinc/27/29/85/971272985.db2.gz	CXGIHFHDOYVNMW-UHFFFAOYSA-N	-1	0	319.365	0.416	20	30		DCEDRM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)n(C)n1	ZINC001258038869	946792575	/nfs/dbraw/zinc/79/25/75/946792575.db2.gz	FBAYTVGOMCQSCD-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cc(F)cc(F)c2O)c(=O)[n-]c1=O	ZINC001299585249	946957036	/nfs/dbraw/zinc/95/70/36/946957036.db2.gz	BLOWIEREIWABPJ-UHFFFAOYSA-N	-1	0	322.227	0.443	20	30		DCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)CCNC(=O)OC(C)(C)C	ZINC001602695507	971309172	/nfs/dbraw/zinc/30/91/72/971309172.db2.gz	HTGACVJLBGXBHI-LLVKDONJSA-N	-1	0	300.355	0.282	20	30		DCEDRM
C=CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C)cc1[O-]	ZINC001259930286	947026214	/nfs/dbraw/zinc/02/62/14/947026214.db2.gz	PSXYLJAUVXIHSJ-UHFFFAOYSA-N	-1	0	320.392	0.570	20	30		DCEDRM
COC(=O)[C@H](CS)NS(=O)(=O)Cc1ccccc1C	ZINC001260023988	947049725	/nfs/dbraw/zinc/04/97/25/947049725.db2.gz	AOXIQHOAOCDCDB-NSHDSACASA-N	-1	0	303.405	0.886	20	30		DCEDRM
CC(=O)/C=C(/C)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260177591	947080327	/nfs/dbraw/zinc/08/03/27/947080327.db2.gz	HPAFAVPKPGGUMZ-WAYWQWQTSA-N	-1	0	315.742	0.549	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCC(=O)N2)n1CC1CC1	ZINC001602700943	971323586	/nfs/dbraw/zinc/32/35/86/971323586.db2.gz	PHOJJIJKSFZKSQ-NSHDSACASA-N	-1	0	317.349	0.163	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1ncc(C#N)cc1Cl	ZINC001260583659	947116097	/nfs/dbraw/zinc/11/60/97/947116097.db2.gz	IWQORUNJFISHDT-UHFFFAOYSA-N	-1	0	309.756	0.350	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001602704275	971332811	/nfs/dbraw/zinc/33/28/11/971332811.db2.gz	AMCDDJHFVBMYLJ-UHFFFAOYSA-N	-1	0	307.331	0.201	20	30		DCEDRM
C#C[C@H]1CC[C@H](n2nnnc2N2CCO[C@@H](C(=O)[O-])C2)CC1	ZINC001602704833	971338272	/nfs/dbraw/zinc/33/82/72/971338272.db2.gz	WRBOQKOPRFWIFU-IJLUTSLNSA-N	-1	0	305.338	0.327	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCc2cc(C#N)ccc21	ZINC001261116969	947186453	/nfs/dbraw/zinc/18/64/53/947186453.db2.gz	MTLLIMLRVZHOQZ-CQSZACIVSA-N	-1	0	317.345	0.746	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1	ZINC001323963183	947267417	/nfs/dbraw/zinc/26/74/17/947267417.db2.gz	VSNCTKDNJMTMPR-JTQLQIEISA-N	-1	0	321.420	0.366	20	30		DCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001602712320	971355423	/nfs/dbraw/zinc/35/54/23/971355423.db2.gz	NMPYSSXMOCTCSR-PHIMTYICSA-N	-1	0	318.333	0.616	20	30		DCEDRM
C=CCN([C@@H](C)COC)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001602722772	971389227	/nfs/dbraw/zinc/38/92/27/971389227.db2.gz	NLFPLVIYODXVAJ-NSHDSACASA-N	-1	0	320.411	0.551	20	30		DCEDRM
C=CCn1c(CCOC)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001602729899	971402584	/nfs/dbraw/zinc/40/25/84/971402584.db2.gz	LJAZURWGQGDIGJ-IAQYHMDHSA-N	-1	0	322.365	0.190	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)N(CC)c1ccccc1	ZINC001325326841	947757914	/nfs/dbraw/zinc/75/79/14/947757914.db2.gz	DSUFTMBQTOOOKU-LBPRGKRZSA-N	-1	0	310.375	0.912	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@H](COC)C1	ZINC001262969810	947792448	/nfs/dbraw/zinc/79/24/48/947792448.db2.gz	RIPKMWDOGTUPDO-NSHDSACASA-N	-1	0	318.381	0.551	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1	ZINC001326535426	948191359	/nfs/dbraw/zinc/19/13/59/948191359.db2.gz	SEVIROCFAGRCEP-MNOVXSKESA-N	-1	0	308.338	0.480	20	30		DCEDRM
CCO[C@@H]1COCC[C@H]1Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001570917867	948564683	/nfs/dbraw/zinc/56/46/83/948564683.db2.gz	GTTQTEPYJLOVHN-PSASIEDQSA-N	-1	0	316.325	0.134	20	30		DCEDRM
N#Cc1ncc(NCC2(CCO)CCCC2)nc1-c1nnn[n-]1	ZINC001570919416	948587251	/nfs/dbraw/zinc/58/72/51/948587251.db2.gz	SYFANGQGCVQEGI-UHFFFAOYSA-N	-1	0	314.353	0.883	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](n2ccnn2)CC1	ZINC001602779076	971514361	/nfs/dbraw/zinc/51/43/61/971514361.db2.gz	QUJZDKCQIKJRJO-FZMZJTMJSA-N	-1	0	305.338	0.836	20	30		DCEDRM
C#CC1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1	ZINC001328423542	948887733	/nfs/dbraw/zinc/88/77/33/948887733.db2.gz	UZKWSWQOAVESEU-UHFFFAOYSA-N	-1	0	308.359	0.525	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C	ZINC001328726053	949056207	/nfs/dbraw/zinc/05/62/07/949056207.db2.gz	GUPKJOUMHHRJRU-LLVKDONJSA-N	-1	0	308.338	0.834	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001329129036	949376175	/nfs/dbraw/zinc/37/61/75/949376175.db2.gz	YVSLKMLYSUSFID-RYUDHWBXSA-N	-1	0	310.350	0.017	20	30		DCEDRM
Cc1cc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc(C)c1O	ZINC001364533792	949511598	/nfs/dbraw/zinc/51/15/98/949511598.db2.gz	PRUAKUBXAIULIK-UHFFFAOYSA-N	-1	0	300.318	0.880	20	30		DCEDRM
COc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1OC	ZINC001364541284	949523965	/nfs/dbraw/zinc/52/39/65/949523965.db2.gz	BZSVTOHAFAZKMC-UHFFFAOYSA-N	-1	0	316.317	0.575	20	30		DCEDRM
COC(=O)c1cccc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001364545793	949533784	/nfs/dbraw/zinc/53/37/84/949533784.db2.gz	PIQDYDOXCQOIBS-UHFFFAOYSA-N	-1	0	301.258	0.524	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1C[C@@H]3C[C@H]1C[S@]3=O)cc2=O	ZINC001364740857	949853128	/nfs/dbraw/zinc/85/31/28/949853128.db2.gz	GIAFOMDXBDXDRD-ZPMVXHMNSA-N	-1	0	303.347	0.012	20	30		DCEDRM
N#Cc1c(F)cc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)cc1F	ZINC001548763073	1013095238	/nfs/dbraw/zinc/09/52/38/1013095238.db2.gz	VLRDMIDUEKSXQF-ZETCQYMHSA-N	-1	0	304.260	0.979	20	30		DCEDRM
CCN(C(=O)C(=O)Nc1cc(F)cc(C#N)c1)[C@@H](C)C(=O)[O-]	ZINC001589697547	950185593	/nfs/dbraw/zinc/18/55/93/950185593.db2.gz	YJMOJBNUHMTOHV-QMMMGPOBSA-N	-1	0	307.281	0.957	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)CN[C@H](C(=O)[O-])c1ccnn1C	ZINC001589720934	950420694	/nfs/dbraw/zinc/42/06/94/950420694.db2.gz	XSJBNZNTHRLKHM-MFKMUULPSA-N	-1	0	307.354	0.144	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C(=O)[O-])c1ccnn1C	ZINC001589720932	950420723	/nfs/dbraw/zinc/42/07/23/950420723.db2.gz	XSJBNZNTHRLKHM-GWCFXTLKSA-N	-1	0	307.354	0.144	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1	ZINC001365162149	950637497	/nfs/dbraw/zinc/63/74/97/950637497.db2.gz	SDMPAXVEEQPVOF-MRVPVSSYSA-N	-1	0	316.325	0.527	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@H]2CCC[C@H](F)C2)c(=O)[n-]c1=O	ZINC001365212477	950747488	/nfs/dbraw/zinc/74/74/88/950747488.db2.gz	NNYVUWDZNQYVMD-QWRGUYRKSA-N	-1	0	323.328	0.400	20	30		DCEDRM
CN(c1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H](CCO)c1ccccc1	ZINC001365215428	950753027	/nfs/dbraw/zinc/75/30/27/950753027.db2.gz	JOWDPUMCGHRUIF-ZDUSSCGKSA-N	-1	0	314.345	0.505	20	30		DCEDRM
CCC[C@H](C)CCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365253350	950817700	/nfs/dbraw/zinc/81/77/00/950817700.db2.gz	XAEKMCYCUVUVPP-NSHDSACASA-N	-1	0	321.381	0.946	20	30		DCEDRM
CC1(C)CCC[C@@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365346967	951007058	/nfs/dbraw/zinc/00/70/58/951007058.db2.gz	IXIIOMYCIDWZHK-NSHDSACASA-N	-1	0	319.365	0.698	20	30		DCEDRM
C=CCOC[C@H](O)CNc1nc[n-]c(=O)c1Br	ZINC001252455602	951142473	/nfs/dbraw/zinc/14/24/73/951142473.db2.gz	DSHUSCWTADVSIY-SSDOTTSWSA-N	-1	0	304.144	0.920	20	30		DCEDRM
O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCC#C[C@H]2CCCCO2)CO1	ZINC001595002311	951146840	/nfs/dbraw/zinc/14/68/40/951146840.db2.gz	SCPCEBNMWXOFEI-MGPQQGTHSA-N	-1	0	309.362	0.945	20	30		DCEDRM
NC(=O)C[C@H]1C[C@@H]2CN(C(=O)CCC(=O)C3=CC=C[CH]3)C[C@@H]2O1	ZINC001274660933	951775828	/nfs/dbraw/zinc/77/58/28/951775828.db2.gz	DJAPYLHZIOLQPK-NFAWXSAZSA-N	-1	0	317.365	0.527	20	30		DCEDRM
C#CCN1C(=O)COCC12CN(Cc1cc(C#N)ccc1[O-])C2	ZINC001274667453	951779104	/nfs/dbraw/zinc/77/91/04/951779104.db2.gz	OBWTVJJEGWOICC-UHFFFAOYSA-N	-1	0	311.341	0.310	20	30		DCEDRM
C#CCN1C[C@]2(CC1=O)CCCCN2S(=O)(=O)c1ncc[n-]1	ZINC001275460995	952165971	/nfs/dbraw/zinc/16/59/71/952165971.db2.gz	DOQPABYQTDYOJS-CQSZACIVSA-N	-1	0	322.390	0.189	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)n1	ZINC001412043723	952615712	/nfs/dbraw/zinc/61/57/12/952615712.db2.gz	LUSKDHHVEIVRGB-JTQLQIEISA-N	-1	0	301.335	0.397	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c(F)c1	ZINC001412056742	952623973	/nfs/dbraw/zinc/62/39/73/952623973.db2.gz	MRXZXUXBCDUHQF-UHFFFAOYSA-N	-1	0	316.296	0.334	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCOc2ccc(F)cc2)c(C#N)c1=O	ZINC001336489104	952708196	/nfs/dbraw/zinc/70/81/96/952708196.db2.gz	IAHNYNFDKIDZRC-UHFFFAOYSA-N	-1	0	318.308	0.965	20	30		DCEDRM
CCS[C@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001412370934	952764380	/nfs/dbraw/zinc/76/43/80/952764380.db2.gz	GGLASJQZMQCDBC-NSHDSACASA-N	-1	0	324.406	0.714	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc(F)c(O)c2)c(=O)[n-]c1=O	ZINC001412374228	952767337	/nfs/dbraw/zinc/76/73/37/952767337.db2.gz	PFDUIVJIKXVJHY-UHFFFAOYSA-N	-1	0	318.264	0.095	20	30		DCEDRM
Cc1ccc(CN(C)C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001412370133	952767373	/nfs/dbraw/zinc/76/73/73/952767373.db2.gz	BAIFZGYOXXEZPU-UHFFFAOYSA-N	-1	0	316.317	0.771	20	30		DCEDRM
Cn1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c(=O)n(C)c1=O	ZINC001337208548	952828702	/nfs/dbraw/zinc/82/87/02/952828702.db2.gz	GZUVCRZUKMKOED-ARJAWSKDSA-N	-1	0	320.326	0.740	20	30		DCEDRM
C[C@H](c1cccnc1)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412476596	952831645	/nfs/dbraw/zinc/83/16/45/952831645.db2.gz	IADOGZDHUJSDQF-SNVBAGLBSA-N	-1	0	313.317	0.435	20	30		DCEDRM
CC[C@@H](C[C@H](C)CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412699367	953003596	/nfs/dbraw/zinc/00/35/96/953003596.db2.gz	VNKXXUAVFJLVQV-JQWIXIFHSA-N	-1	0	322.365	0.124	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccn(-c3ccncc3)n2)[n-]c1C#N	ZINC001339190826	953080063	/nfs/dbraw/zinc/08/00/63/953080063.db2.gz	FIYNUGKDMYTRNC-UHFFFAOYSA-N	-1	0	304.273	0.986	20	30		DCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CC[C@@H](OC)C1	ZINC001339628729	953108085	/nfs/dbraw/zinc/10/80/85/953108085.db2.gz	VMGVSZQFFIPHHG-SNVBAGLBSA-N	-1	0	304.354	0.795	20	30		DCEDRM
C=CC[C@H](NC(=O)CN1c2ccccc2O[C@H](C)C1=O)C(=O)[O-]	ZINC001339865055	953126113	/nfs/dbraw/zinc/12/61/13/953126113.db2.gz	LIRNDXICDVPVER-MNOVXSKESA-N	-1	0	318.329	0.946	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1coc(C2CCOCC2)n1	ZINC001341818027	953251827	/nfs/dbraw/zinc/25/18/27/953251827.db2.gz	OLDZTLJDGISMGU-LLVKDONJSA-N	-1	0	321.333	0.654	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCCN(C2CC2)C1=O	ZINC001342975261	953316270	/nfs/dbraw/zinc/31/62/70/953316270.db2.gz	QKRUGNKTXHKFOL-RYUDHWBXSA-N	-1	0	314.345	0.713	20	30		DCEDRM
CO[C@@H]1CCn2cc(C([O-])=C(C#N)C(=O)NC(C)C)nc2C1	ZINC001343411223	953344777	/nfs/dbraw/zinc/34/47/77/953344777.db2.gz	LZEQPESEQFMQKS-MNOVXSKESA-N	-1	0	304.350	0.691	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1c2ccccc2nn1C	ZINC001346065372	953795562	/nfs/dbraw/zinc/79/55/62/953795562.db2.gz	SDGBAGSFQRLSGE-NSHDSACASA-N	-1	0	300.318	0.658	20	30		DCEDRM
C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cn2)[C@@H]1C(=O)[O-]	ZINC001589333710	953967134	/nfs/dbraw/zinc/96/71/34/953967134.db2.gz	XXJALBRFZVICIB-CABZTGNLSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCS1(=O)=O	ZINC001589334883	953984126	/nfs/dbraw/zinc/98/41/26/953984126.db2.gz	BILQJFDSWXVJAQ-SKDRFNHKSA-N	-1	0	302.352	0.027	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC001347045938	954010388	/nfs/dbraw/zinc/01/03/88/954010388.db2.gz	JSXFQECTHHQZIM-NSHDSACASA-N	-1	0	305.400	0.159	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(CS(C)(=O)=O)c1	ZINC001347063975	954016128	/nfs/dbraw/zinc/01/61/28/954016128.db2.gz	PBQVYYHVIXHSCB-CYBMUJFWSA-N	-1	0	320.370	0.856	20	30		DCEDRM
C#CCN(CC#CC)c1nnc(-c2cc(=O)[nH][n-]2)n1CC1CC1	ZINC001347742714	954159098	/nfs/dbraw/zinc/15/90/98/954159098.db2.gz	LNARNPUAYHNESM-UHFFFAOYSA-N	-1	0	310.361	0.375	20	30		DCEDRM
N#CC[C@H](NC(=O)N1CCC(c2nnn[n-]2)CC1)C(F)(F)F	ZINC001366877079	954982427	/nfs/dbraw/zinc/98/24/27/954982427.db2.gz	BXWICJKJKBNVIM-QMMMGPOBSA-N	-1	0	317.275	0.933	20	30		DCEDRM
CN(CCCNC(=O)C#CC1CC1)C(=O)c1cnc[nH]c1=O	ZINC001351462543	955307247	/nfs/dbraw/zinc/30/72/47/955307247.db2.gz	VDPADXIVPSCSQS-UHFFFAOYSA-N	-1	0	302.334	0.174	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1cnn(CCC#N)c1C	ZINC001593839874	955349446	/nfs/dbraw/zinc/34/94/46/955349446.db2.gz	AITAVXPFSMGNMA-UHFFFAOYSA-N	-1	0	322.321	0.195	20	30		DCEDRM
C=C(C)CCC(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001285378261	955607278	/nfs/dbraw/zinc/60/72/78/955607278.db2.gz	ZCGGJRVGKDXIRX-UHFFFAOYSA-N	-1	0	323.353	0.170	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)NCCNc1ncccc1C#N	ZINC001594565837	955845137	/nfs/dbraw/zinc/84/51/37/955845137.db2.gz	PIBQQVUSRWBAIB-UHFFFAOYSA-N	-1	0	314.305	0.227	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1	ZINC001593905254	955904042	/nfs/dbraw/zinc/90/40/42/955904042.db2.gz	OSYRROSTIPBSEI-DGCLKSJQSA-N	-1	0	318.333	0.456	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2n[nH]c3ccccc32)c(=O)[n-]c1=O	ZINC001463531787	1013139176	/nfs/dbraw/zinc/13/91/76/1013139176.db2.gz	VXEXZVKYRIVIGG-UHFFFAOYSA-N	-1	0	310.273	0.336	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCC(=O)Nc1ccc(C#N)cc1	ZINC001593930011	956163957	/nfs/dbraw/zinc/16/39/57/956163957.db2.gz	HTEGZTDLCFLBNN-CQSZACIVSA-N	-1	0	306.274	0.530	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)Nc2cncc(C(=O)[O-])c2)CC1	ZINC001594606117	956176924	/nfs/dbraw/zinc/17/69/24/956176924.db2.gz	QKAIDYVVPZHCBB-UHFFFAOYSA-N	-1	0	317.305	0.370	20	30		DCEDRM
N#C[C@@]12CN(Cc3cccc(C(=O)[O-])c3)C[C@H]1CS(=O)(=O)C2	ZINC001594610942	956208253	/nfs/dbraw/zinc/20/82/53/956208253.db2.gz	JVAKNVYXWHVBRK-ZFWWWQNUSA-N	-1	0	320.370	0.755	20	30		DCEDRM
C=CC[C@@H](NC(=O)N[C@H]1CCN(CC(F)(F)F)C1)C(=O)[O-]	ZINC001354039566	956258844	/nfs/dbraw/zinc/25/88/44/956258844.db2.gz	QZPIGOBKVPMCLP-DTWKUNHWSA-N	-1	0	309.288	0.952	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)C1	ZINC001354048057	956262663	/nfs/dbraw/zinc/26/26/63/956262663.db2.gz	VUQJREQCXUPDPX-JTQLQIEISA-N	-1	0	316.317	0.845	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)C1(C(=O)[O-])CC=CC1	ZINC001594631724	956344000	/nfs/dbraw/zinc/34/40/00/956344000.db2.gz	MEQBCNRCCNPSMR-UHFFFAOYSA-N	-1	0	300.318	0.902	20	30		DCEDRM
N#Cc1ccnnc1N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001594631919	956348330	/nfs/dbraw/zinc/34/83/30/956348330.db2.gz	ROSJFUGIZFPCQW-LLVKDONJSA-N	-1	0	315.333	0.250	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001594632089	956349255	/nfs/dbraw/zinc/34/92/55/956349255.db2.gz	TXIOSOUBQKAZQD-UHFFFAOYSA-N	-1	0	300.278	0.216	20	30		DCEDRM
N#Cc1csc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1	ZINC001594634371	956362915	/nfs/dbraw/zinc/36/29/15/956362915.db2.gz	IYXLDLOALPNTRU-SNVBAGLBSA-N	-1	0	300.361	0.303	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(C[NH+]1CCC(C(=O)[O-])CC1)cc2=O	ZINC001594634761	956363642	/nfs/dbraw/zinc/36/36/42/956363642.db2.gz	OXFISXIMVSUWSZ-UHFFFAOYSA-N	-1	0	301.306	0.603	20	30		DCEDRM
C=CCCC(=O)NCC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O	ZINC001355094375	956599777	/nfs/dbraw/zinc/59/97/77/956599777.db2.gz	RKUMZCCMSDFOQD-SNVBAGLBSA-N	-1	0	322.365	0.077	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC001589197041	956622478	/nfs/dbraw/zinc/62/24/78/956622478.db2.gz	XTRLJAJJWQDVTM-CQSZACIVSA-N	-1	0	323.374	0.524	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC001589197040	956622638	/nfs/dbraw/zinc/62/26/38/956622638.db2.gz	XTRLJAJJWQDVTM-AWEZNQCLSA-N	-1	0	323.374	0.524	20	30		DCEDRM
CC[C@](C)(C#N)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001292650895	957090262	/nfs/dbraw/zinc/09/02/62/957090262.db2.gz	RMPDYGALWRKMJM-OAHLLOKOSA-N	-1	0	314.349	0.995	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001293864754	957438840	/nfs/dbraw/zinc/43/88/40/957438840.db2.gz	XNTYXEJUARDXSA-LBPRGKRZSA-N	-1	0	318.377	0.948	20	30		DCEDRM
CCc1cnc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)s1	ZINC001413883385	957514682	/nfs/dbraw/zinc/51/46/82/957514682.db2.gz	UYVDQHYDBRCVBH-UHFFFAOYSA-N	-1	0	305.363	0.619	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001358658054	957549305	/nfs/dbraw/zinc/54/93/05/957549305.db2.gz	GGUPWPPATLUTLL-CQSZACIVSA-N	-1	0	322.365	0.129	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](C)CC(=O)[O-]	ZINC001594049115	957960962	/nfs/dbraw/zinc/96/09/62/957960962.db2.gz	DADXGOSMMAXCNI-QMMMGPOBSA-N	-1	0	305.290	0.485	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)NCCOCCOCC(=O)[O-]	ZINC001594049068	957961545	/nfs/dbraw/zinc/96/15/45/957961545.db2.gz	CPLPJWZSGNAKMV-UHFFFAOYSA-N	-1	0	322.317	0.414	20	30		DCEDRM
C#CC1(O)CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C1	ZINC001588386127	957976186	/nfs/dbraw/zinc/97/61/86/957976186.db2.gz	OFFYZSLTXKTPGV-STQMWFEESA-N	-1	0	300.314	0.689	20	30		DCEDRM
Cc1cc(Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)cs1	ZINC001594309150	957997261	/nfs/dbraw/zinc/99/72/61/957997261.db2.gz	PCTXRVWJILDSEP-UHFFFAOYSA-N	-1	0	305.315	0.385	20	30		DCEDRM
C#CCCN1CCN(C(=O)C2(CC(=O)[O-])CCOCC2)CC1	ZINC001588390913	958016990	/nfs/dbraw/zinc/01/69/90/958016990.db2.gz	SRDYUUAYHHUTHS-UHFFFAOYSA-N	-1	0	308.378	0.425	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(F)c(C(C)=O)c1	ZINC001588395045	958036255	/nfs/dbraw/zinc/03/62/55/958036255.db2.gz	ITIZWPIQOQCMKE-UHFFFAOYSA-N	-1	0	320.276	0.513	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1	ZINC001588400114	958077259	/nfs/dbraw/zinc/07/72/59/958077259.db2.gz	RKJJITGZTWJIOZ-NSHDSACASA-N	-1	0	318.304	0.725	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC[S@@](=O)Cc1ccccc1	ZINC001588408625	958115054	/nfs/dbraw/zinc/11/50/54/958115054.db2.gz	VRQNNMXQJPZEJC-JOCHJYFZSA-N	-1	0	322.386	0.665	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCCc2nc(C)ncc21	ZINC001588409856	958132471	/nfs/dbraw/zinc/13/24/71/958132471.db2.gz	LYHDRSARPXJIAN-ZDUSSCGKSA-N	-1	0	302.334	0.892	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccn(CC(F)(F)F)n1	ZINC001588412626	958151763	/nfs/dbraw/zinc/15/17/63/958151763.db2.gz	GQVATVMPDYVPAZ-UHFFFAOYSA-N	-1	0	304.228	0.997	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(C)nn2c1nc(C)cc2C	ZINC001588417534	958174120	/nfs/dbraw/zinc/17/41/20/958174120.db2.gz	UNQLDHPCQGJZRQ-UHFFFAOYSA-N	-1	0	300.318	0.815	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(-c2ccccc2CC)nn1	ZINC001588418584	958182052	/nfs/dbraw/zinc/18/20/52/958182052.db2.gz	NAAJRKOFVDDIRH-UHFFFAOYSA-N	-1	0	312.329	0.990	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnc(O[C@@H]2CCOC2)c1	ZINC001588419221	958193945	/nfs/dbraw/zinc/19/39/45/958193945.db2.gz	YHNNAENNFJAAMW-GFCCVEGCSA-N	-1	0	304.302	0.409	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCc1cccc(COC)c1	ZINC001588419904	958196808	/nfs/dbraw/zinc/19/68/08/958196808.db2.gz	HHQBIQYAPFAFFG-UHFFFAOYSA-N	-1	0	304.346	0.469	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)N1CCC(C(=O)OCC)CC1	ZINC001588419937	958196961	/nfs/dbraw/zinc/19/69/61/958196961.db2.gz	JAVCWJIYTBBVEE-LBPRGKRZSA-N	-1	0	324.377	0.196	20	30		DCEDRM
COc1cccnc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361694132	958224621	/nfs/dbraw/zinc/22/46/21/958224621.db2.gz	KCQMXZMBNGEMGN-UHFFFAOYSA-N	-1	0	315.289	0.253	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCCc3n[nH]cc32)n1C	ZINC001588427015	958238247	/nfs/dbraw/zinc/23/82/47/958238247.db2.gz	KARGHTCQLOTLGW-JTQLQIEISA-N	-1	0	314.349	0.531	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CC2CC(O)C2)n1CC(C)C	ZINC001588427104	958240438	/nfs/dbraw/zinc/24/04/38/958240438.db2.gz	MHKJWMPTBNQNIV-UHFFFAOYSA-N	-1	0	320.393	0.772	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CC2CC(O)C2)n1CC=C	ZINC001588427191	958241476	/nfs/dbraw/zinc/24/14/76/958241476.db2.gz	PWCZDIKTKFJORM-UHFFFAOYSA-N	-1	0	304.350	0.302	20	30		DCEDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C#N)C1	ZINC000093932499	958257797	/nfs/dbraw/zinc/25/77/97/958257797.db2.gz	OGCACQLVXJGCGV-MRVPVSSYSA-N	-1	0	300.292	0.199	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001588430678	958259394	/nfs/dbraw/zinc/25/93/94/958259394.db2.gz	FYSOEXGNCWZFTG-QZCIIZHISA-N	-1	0	323.345	0.137	20	30		DCEDRM
C#CCOCCNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588430982	958264820	/nfs/dbraw/zinc/26/48/20/958264820.db2.gz	IXODHXGVYUTCQY-AVERBVTBSA-N	-1	0	310.350	0.348	20	30		DCEDRM
C#CCn1cc(CNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)cn1	ZINC001588433325	958295523	/nfs/dbraw/zinc/29/55/23/958295523.db2.gz	OZPAWHQNTJOKKJ-QWHCGFSZSA-N	-1	0	305.334	0.402	20	30		DCEDRM
C=C(Br)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588439219	958313299	/nfs/dbraw/zinc/31/32/99/958313299.db2.gz	JVTHMSOPPMFWDA-QMMMGPOBSA-N	-1	0	319.155	0.334	20	30		DCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001588445230	958370920	/nfs/dbraw/zinc/37/09/20/958370920.db2.gz	DPJGLYWXGPBLIJ-TUAOUCFPSA-N	-1	0	308.334	0.008	20	30		DCEDRM
COc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c(OC)n1	ZINC001594093978	958383277	/nfs/dbraw/zinc/38/32/77/958383277.db2.gz	FADGLCSSHLAONC-CQSZACIVSA-N	-1	0	307.306	0.720	20	30		DCEDRM
COc1ccc(CNC(=O)c2cn(CC(=O)[O-])nn2)cc1C#N	ZINC001594094366	958387791	/nfs/dbraw/zinc/38/77/91/958387791.db2.gz	ISLFOIMFYSOIBB-UHFFFAOYSA-N	-1	0	315.289	0.173	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC001588451413	958410516	/nfs/dbraw/zinc/41/05/16/958410516.db2.gz	VWORBXYEEKDAQA-LBPRGKRZSA-N	-1	0	312.366	0.407	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1	ZINC001573317570	958452855	/nfs/dbraw/zinc/45/28/55/958452855.db2.gz	DDFXRXFBYXKQBZ-VNHYZAJKSA-N	-1	0	310.394	0.667	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001588459765	958469628	/nfs/dbraw/zinc/46/96/28/958469628.db2.gz	CFTQTDYGPGGMOU-LBPRGKRZSA-N	-1	0	307.368	0.084	20	30		DCEDRM
C=CCN(C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC1	ZINC001588460469	958476515	/nfs/dbraw/zinc/47/65/15/958476515.db2.gz	JMTJFZPWGFLZNU-UHFFFAOYSA-N	-1	0	301.364	0.443	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1(CC(=O)[O-])CCC1	ZINC001588465484	958505337	/nfs/dbraw/zinc/50/53/37/958505337.db2.gz	NEEJMBHYBIHHRP-SECBINFHSA-N	-1	0	312.322	0.575	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC001588469428	958517139	/nfs/dbraw/zinc/51/71/39/958517139.db2.gz	HDUXRAVWUUJERG-LLVKDONJSA-N	-1	0	303.380	0.594	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@H](C)CC#N)cc2=O)n1	ZINC001361947804	958526640	/nfs/dbraw/zinc/52/66/40/958526640.db2.gz	FUMSOJLOSOISMU-MRVPVSSYSA-N	-1	0	300.322	0.604	20	30		DCEDRM
C=CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1C1(CO)CCC1	ZINC001588471935	958538959	/nfs/dbraw/zinc/53/89/59/958538959.db2.gz	GYSFXEDVWLGVMF-LLVKDONJSA-N	-1	0	306.366	0.789	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC001573362376	958598523	/nfs/dbraw/zinc/59/85/23/958598523.db2.gz	AKRCQQWYYCQBAT-NKDKAASFSA-N	-1	0	314.363	0.215	20	30		DCEDRM
CC(C)CCN(CCC#N)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362056264	958664672	/nfs/dbraw/zinc/66/46/72/958664672.db2.gz	GZEOVPSPEXHMSG-UHFFFAOYSA-N	-1	0	317.349	0.609	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCc2ccc(F)cn2)c(=O)[n-]c1=O	ZINC001362080254	958705743	/nfs/dbraw/zinc/70/57/43/958705743.db2.gz	HDBZSVBVFVQOGF-UHFFFAOYSA-N	-1	0	317.280	0.061	20	30		DCEDRM
COCC1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362135847	958803154	/nfs/dbraw/zinc/80/31/54/958803154.db2.gz	DWLCXSQROZEWQB-UHFFFAOYSA-N	-1	0	320.349	0.096	20	30		DCEDRM
CO[C@H](C)CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001362154454	958838182	/nfs/dbraw/zinc/83/81/82/958838182.db2.gz	HSORRKZUKHDPGD-SNVBAGLBSA-N	-1	0	308.338	0.092	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1	ZINC001588539003	958949573	/nfs/dbraw/zinc/94/95/73/958949573.db2.gz	SYWNGLRMKDGXKL-IOASZLSFSA-N	-1	0	318.329	0.642	20	30		DCEDRM
CCS[C@@H]1CCC[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362219397	958949936	/nfs/dbraw/zinc/94/99/36/958949936.db2.gz	POQKTMKGMVCMNU-WDEREUQCSA-N	-1	0	322.390	0.611	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(C2(O)COC2)cc1	ZINC001588542076	958968588	/nfs/dbraw/zinc/96/85/88/958968588.db2.gz	RWQSXGBXPOMWJQ-AWEZNQCLSA-N	-1	0	304.302	0.847	20	30		DCEDRM
CCCC1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362236216	958975511	/nfs/dbraw/zinc/97/55/11/958975511.db2.gz	SQBWIWRDLXKBBL-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
C[C@H](C#N)CN(C1CC1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC001588543670	958981142	/nfs/dbraw/zinc/98/11/42/958981142.db2.gz	PSGQRDCODVNFPW-KOLCDFICSA-N	-1	0	301.368	0.404	20	30		DCEDRM
C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001588551981	959030806	/nfs/dbraw/zinc/03/08/06/959030806.db2.gz	NGCYATCLXVLOKJ-ZUZCIYMTSA-N	-1	0	313.317	0.827	20	30		DCEDRM
C[C@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)n1cnc(C#N)n1	ZINC001588558293	959084037	/nfs/dbraw/zinc/08/40/37/959084037.db2.gz	VDCADJFILKOJAY-SSDOTTSWSA-N	-1	0	301.262	0.753	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CCO)C1CCOCC1	ZINC001362313179	959123353	/nfs/dbraw/zinc/12/33/53/959123353.db2.gz	MFWSQIGTNYGGLI-ZDUSSCGKSA-N	-1	0	319.361	0.875	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC001588565600	959140441	/nfs/dbraw/zinc/14/04/41/959140441.db2.gz	MHZFGUSVJWGSLI-SECBINFHSA-N	-1	0	318.333	0.793	20	30		DCEDRM
N#Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c(Cl)c1	ZINC000163530019	959238956	/nfs/dbraw/zinc/23/89/56/959238956.db2.gz	JAKPABFWVFEKMI-LBPRGKRZSA-N	-1	0	307.737	0.987	20	30		DCEDRM
C[C@@](O)(CNC(=O)Nc1nc(Cl)c(C#N)s1)C(=O)[O-]	ZINC001573584043	959362728	/nfs/dbraw/zinc/36/27/28/959362728.db2.gz	ZIQNZIVYBPQJRC-SECBINFHSA-N	-1	0	304.715	0.625	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC[C@@H]1[C@H]1CCCO1	ZINC001362523257	959517433	/nfs/dbraw/zinc/51/74/33/959517433.db2.gz	BRDNNAOULFZRLR-CHWSQXEVSA-N	-1	0	317.345	0.987	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC2(CCOCC2)C1	ZINC001362544865	959567159	/nfs/dbraw/zinc/56/71/59/959567159.db2.gz	FFJFDPWEDAGRAX-UHFFFAOYSA-N	-1	0	317.345	0.989	20	30		DCEDRM
N#CCC1(O)CN(C(=O)c2nc[n-]c(=O)c2Br)C1	ZINC001362629725	959728208	/nfs/dbraw/zinc/72/82/08/959728208.db2.gz	ZRJVEWXKUHUSNF-UHFFFAOYSA-N	-1	0	313.111	0.045	20	30		DCEDRM
Cc1c(C(=O)N(Cc2nnn[n-]2)CC(C)C)cnn1CCC#N	ZINC001362833496	960061953	/nfs/dbraw/zinc/06/19/53/960061953.db2.gz	UVDDDGXMZNNANZ-UHFFFAOYSA-N	-1	0	316.369	0.917	20	30		DCEDRM
COC1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001362948192	960212932	/nfs/dbraw/zinc/21/29/32/960212932.db2.gz	GLOHRRHSSNMWJN-UHFFFAOYSA-N	-1	0	320.349	0.286	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)[C@H](C)O1	ZINC001363074671	960374358	/nfs/dbraw/zinc/37/43/58/960374358.db2.gz	HQRVAMBXGUCUSS-VDDIYKPWSA-N	-1	0	318.333	0.017	20	30		DCEDRM
COC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCCCC1	ZINC001363128988	960442834	/nfs/dbraw/zinc/44/28/34/960442834.db2.gz	PHYUCGAKZPTJGK-UHFFFAOYSA-N	-1	0	320.349	0.286	20	30		DCEDRM
CO[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001363237911	960677721	/nfs/dbraw/zinc/67/77/21/960677721.db2.gz	DISHZSJEAZICLA-GFCCVEGCSA-N	-1	0	320.349	0.238	20	30		DCEDRM
Cc1ccc(O)cc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363287074	960794504	/nfs/dbraw/zinc/79/45/04/960794504.db2.gz	LZGYZROEEUDXPH-UHFFFAOYSA-N	-1	0	314.301	0.265	20	30		DCEDRM
COc1cc(=O)[nH]cc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571084631	961036308	/nfs/dbraw/zinc/03/63/08/961036308.db2.gz	NRUYHBHQIWYUPJ-UHFFFAOYSA-N	-1	0	305.290	0.626	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1coc(C#N)c1	ZINC001571093080	961132913	/nfs/dbraw/zinc/13/29/13/961132913.db2.gz	ZGUUXAZWJVJEAO-GZMMTYOYSA-N	-1	0	306.274	0.630	20	30		DCEDRM
CC(C)(CC(=O)[O-])NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001588755900	961220858	/nfs/dbraw/zinc/22/08/58/961220858.db2.gz	COCZEWDQBJWICJ-SEYXRHQNSA-N	-1	0	309.322	0.272	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1	ZINC001588801972	961428914	/nfs/dbraw/zinc/42/89/14/961428914.db2.gz	NWCONIJQKNQVKE-CYBMUJFWSA-N	-1	0	323.393	0.560	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@](C)(CNc2ncc(C(=O)[O-])cn2)C1	ZINC001571133474	961591094	/nfs/dbraw/zinc/59/10/94/961591094.db2.gz	OSXQTNAFQISACE-MEBBXXQBSA-N	-1	0	317.349	0.985	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C#N)cn2)C[C@@H]1C(=O)[O-]	ZINC001571138185	961633725	/nfs/dbraw/zinc/63/37/25/961633725.db2.gz	RMJMDJCPIJIRCW-VHSXEESVSA-N	-1	0	318.289	0.291	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cc2n(n1)CCN(C)C2	ZINC001363663428	961651405	/nfs/dbraw/zinc/65/14/05/961651405.db2.gz	ZQLDVIDJPVVOPI-UHFFFAOYSA-N	-1	0	312.333	0.862	20	30		DCEDRM
C[C@H](Cc1cnn(C)c1)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571144854	961716586	/nfs/dbraw/zinc/71/65/86/961716586.db2.gz	ZRKHHIPOLGMGAO-LLVKDONJSA-N	-1	0	319.365	0.751	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)n1	ZINC001571148984	961760123	/nfs/dbraw/zinc/76/01/23/961760123.db2.gz	IGSBEYLOXQNADM-NSHDSACASA-N	-1	0	320.353	0.436	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001334199795	961778129	/nfs/dbraw/zinc/77/81/29/961778129.db2.gz	WIDGFEPZJHWMRS-NSHDSACASA-N	-1	0	304.350	0.739	20	30		DCEDRM
COC(=O)N[C@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1	ZINC001363840259	961999320	/nfs/dbraw/zinc/99/93/20/961999320.db2.gz	NKMRDUCLVXNFGA-JTQLQIEISA-N	-1	0	316.321	0.237	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC001574056535	962192882	/nfs/dbraw/zinc/19/28/82/962192882.db2.gz	QVSAENDYANRYBL-CQSZACIVSA-N	-1	0	319.317	0.034	20	30		DCEDRM
COc1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)ccc1C#N	ZINC001364045301	962361240	/nfs/dbraw/zinc/36/12/40/962361240.db2.gz	CKFOZYQGSRHHJV-UHFFFAOYSA-N	-1	0	321.318	0.341	20	30		DCEDRM
COC(=O)[C@@]1(OC)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001364052838	962374506	/nfs/dbraw/zinc/37/45/06/962374506.db2.gz	DBHXURKAOXRKTO-OAHLLOKOSA-N	-1	0	319.317	0.371	20	30		DCEDRM
C#CC[C@@H](NC(=O)/C=C\c1cncc(C(=O)NC)c1)C(=O)[O-]	ZINC001573302715	962661290	/nfs/dbraw/zinc/66/12/90/962661290.db2.gz	PFEOILUJAAQMDE-FOQNGQEVSA-N	-1	0	301.302	0.047	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C[C@H]21	ZINC001573321706	962761945	/nfs/dbraw/zinc/76/19/45/962761945.db2.gz	QFWKJMHMHFKYTL-FHUSYTEZSA-N	-1	0	320.389	0.882	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1nnn(-c2cnn(C)c2)c1C)C(=O)[O-]	ZINC001573324395	962785659	/nfs/dbraw/zinc/78/56/59/962785659.db2.gz	SAPPSWLJUHTYLL-LLVKDONJSA-N	-1	0	318.337	0.458	20	30		DCEDRM
C=CCCC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)CNC(=O)[O-]	ZINC001573352880	962994562	/nfs/dbraw/zinc/99/45/62/962994562.db2.gz	LYRSPCGELYYTLV-NWDGAFQWSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C[C@@H]2C1	ZINC001573353251	962999834	/nfs/dbraw/zinc/99/98/34/962999834.db2.gz	SQMRYKHXLAYKLO-RNJOBUHISA-N	-1	0	306.362	0.590	20	30		DCEDRM
C=CCC1(C(=O)N2CC[C@@H](NC(=O)CNC(=O)[O-])C2)CCC1	ZINC001573353370	963000260	/nfs/dbraw/zinc/00/02/60/963000260.db2.gz	UCUNPAPDZVJEKW-LLVKDONJSA-N	-1	0	309.366	0.718	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCC2N=NC(=O)N2C1)C(=O)[O-]	ZINC001573358369	963026323	/nfs/dbraw/zinc/02/63/23/963026323.db2.gz	YTJHQMJCWRBEQE-UWVGGRQHSA-N	-1	0	308.338	0.472	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccncc1NC(C)=O)C(=O)[O-]	ZINC001573368945	963090194	/nfs/dbraw/zinc/09/01/94/963090194.db2.gz	LWNBQFBPXDYOMD-GFCCVEGCSA-N	-1	0	307.306	0.426	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588435366	964021456	/nfs/dbraw/zinc/02/14/56/964021456.db2.gz	NKUXNGRNBXRNMY-QJPTWQEYSA-N	-1	0	303.380	0.324	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588440476	964038106	/nfs/dbraw/zinc/03/81/06/964038106.db2.gz	WKYHQGFVPWVPEN-XYPYZODXSA-N	-1	0	302.334	0.459	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588447028	964082081	/nfs/dbraw/zinc/08/20/81/964082081.db2.gz	CKGBSLQVMOSCPV-STQMWFEESA-N	-1	0	317.407	0.931	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2n[nH]cc2C)n1CCOC	ZINC001588426358	969881723	/nfs/dbraw/zinc/88/17/23/969881723.db2.gz	HJIUJZZCOBJHIH-UHFFFAOYSA-N	-1	0	318.337	0.147	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2ccc(C#N)[nH]2)c1[O-]	ZINC001431193593	1013941704	/nfs/dbraw/zinc/94/17/04/1013941704.db2.gz	HLCGPHSLZCYQHL-UHFFFAOYSA-N	-1	0	316.321	0.126	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NCc2ccccc2CC(=O)[O-])CCO1	ZINC000317216802	970338267	/nfs/dbraw/zinc/33/82/67/970338267.db2.gz	KPLPANZVDCUAJI-ZDUSSCGKSA-N	-1	0	303.318	0.748	20	30		DCEDRM
C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001609469932	970421233	/nfs/dbraw/zinc/42/12/33/970421233.db2.gz	CLXJKDJPYCIDRK-NHYWBVRUSA-N	-1	0	322.365	0.853	20	30		DCEDRM
C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001609636845	970430404	/nfs/dbraw/zinc/43/04/04/970430404.db2.gz	LRTCZUOXOPPPRO-NSHDSACASA-N	-1	0	319.365	0.611	20	30		DCEDRM
CC(=O)NCCN(C(=O)C#Cc1cccs1)[C@@H](C)C(=O)[O-]	ZINC001609662862	970436447	/nfs/dbraw/zinc/43/64/47/970436447.db2.gz	JEWSVIDNKQPVNV-JTQLQIEISA-N	-1	0	308.359	0.537	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)Cc1cccc(F)c1	ZINC001609692930	970451434	/nfs/dbraw/zinc/45/14/34/970451434.db2.gz	FWXSEIHSTXZAOO-SWLSCSKDSA-N	-1	0	308.309	0.850	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	ZINC001604127287	972536592	/nfs/dbraw/zinc/53/65/92/972536592.db2.gz	UJJAIDMWODEXGY-UHFFFAOYSA-N	-1	0	303.384	0.844	20	30		DCEDRM
C=CCNC(=O)CNC(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC000393825632	972646788	/nfs/dbraw/zinc/64/67/88/972646788.db2.gz	NVPLDKBCCAESOE-UHFFFAOYSA-N	-1	0	307.306	0.817	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001605064238	972681213	/nfs/dbraw/zinc/68/12/13/972681213.db2.gz	FGKAFGGFHAKMKT-LBPRGKRZSA-N	-1	0	318.333	0.390	20	30		DCEDRM
COC(=O)c1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC001604385455	973106902	/nfs/dbraw/zinc/10/69/02/973106902.db2.gz	NIHPSVJPUVDFPP-AWEZNQCLSA-N	-1	0	305.290	0.489	20	30		DCEDRM
C[C@@H]1CCN(C(=O)CNc2ccc(C#N)cn2)C[C@@H]1C(=O)[O-]	ZINC001603417473	973128087	/nfs/dbraw/zinc/12/80/87/973128087.db2.gz	RYOCDOFTCZWZDJ-PWSUYJOCSA-N	-1	0	302.334	0.934	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCC(=O)Cc1ccc(C#N)cc1	ZINC001604461080	973302417	/nfs/dbraw/zinc/30/24/17/973302417.db2.gz	CPRIQJQZRWQZOV-HNNXBMFYSA-N	-1	0	305.286	0.703	20	30		DCEDRM
O=C([O-])Cn1cccc1CN=Nc1ccc(-n2cccn2)nn1	ZINC001606354426	973804797	/nfs/dbraw/zinc/80/47/97/973804797.db2.gz	ZLIRTDZFWBPZQM-UHFFFAOYSA-N	-1	0	311.305	0.994	20	30		DCEDRM
CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCCCCC#N)C1	ZINC001603594123	973816762	/nfs/dbraw/zinc/81/67/62/973816762.db2.gz	PIPBVZLMBAGEAD-HNNXBMFYSA-N	-1	0	309.366	0.900	20	30		DCEDRM
N#CC1(CC(=O)OCCc2cn(CC(=O)[O-])nn2)CCOCC1	ZINC001605575858	973842259	/nfs/dbraw/zinc/84/22/59/973842259.db2.gz	GEGUZDLXNOPFBT-UHFFFAOYSA-N	-1	0	322.321	0.159	20	30		DCEDRM
N#C[C@]1(NC(=O)c2cccn(CC(=O)[O-])c2=O)CCSC1	ZINC001605583557	973873363	/nfs/dbraw/zinc/87/33/63/973873363.db2.gz	VTXDTSIIYRSZAI-CYBMUJFWSA-N	-1	0	307.331	0.062	20	30		DCEDRM
N#C[C@@]12CN(C(=O)CCCCC(=O)[O-])C[C@H]1CS(=O)(=O)C2	ZINC001605601590	973906028	/nfs/dbraw/zinc/90/60/28/973906028.db2.gz	VXRDLELEXUOSJT-GWCFXTLKSA-N	-1	0	314.363	0.028	20	30		DCEDRM
O=C([O-])c1ccc(C=NNc2nc3[nH][nH]cc-3c(=O)n2)s1	ZINC001606483160	973965817	/nfs/dbraw/zinc/96/58/17/973965817.db2.gz	QGTGIVNGTLKKPF-UHFFFAOYSA-N	-1	0	304.291	0.638	20	30		DCEDRM
C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001449052702	1014160043	/nfs/dbraw/zinc/16/00/43/1014160043.db2.gz	HCGTZKQJLJDJMB-QMMMGPOBSA-N	-1	0	317.305	0.276	20	30		DCEDRM
C[C@H](C#N)C(=O)N(C)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001449052699	1014160200	/nfs/dbraw/zinc/16/02/00/1014160200.db2.gz	HCGTZKQJLJDJMB-MRVPVSSYSA-N	-1	0	317.305	0.276	20	30		DCEDRM
CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC)[C@@H](C)C(=O)[O-]	ZINC001603701228	974098522	/nfs/dbraw/zinc/09/85/22/974098522.db2.gz	ICAIWOQHWKTTFV-VIFPVBQESA-N	-1	0	319.317	0.827	20	30		DCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cnc2c(C#N)cnn2c1	ZINC001591712416	975606491	/nfs/dbraw/zinc/60/64/91/975606491.db2.gz	SDNYLCHFEUHRCV-ZDUSSCGKSA-N	-1	0	317.349	0.911	20	30		DCEDRM
C[C@@H](CCNC(=O)C#CC1CC1)Nc1ncc(C(=O)[O-])cn1	ZINC001592513475	978346888	/nfs/dbraw/zinc/34/68/88/978346888.db2.gz	QLPHUIKFAPBOQG-JTQLQIEISA-N	-1	0	302.334	0.895	20	30		DCEDRM
CC[C@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC001594744963	981628301	/nfs/dbraw/zinc/62/83/01/981628301.db2.gz	GJVGPVWYUCPBSS-LBPRGKRZSA-N	-1	0	302.334	0.713	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnn2c1CCC2	ZINC001523998456	1014822256	/nfs/dbraw/zinc/82/22/56/1014822256.db2.gz	DTJWPPRADKQBPN-NSHDSACASA-N	-1	0	304.350	0.695	20	30		DCEDRM
CC[C@H](C)N(CC(=O)[O-])C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001594972501	982743586	/nfs/dbraw/zinc/74/35/86/982743586.db2.gz	WAWKTIQEVTYLJP-SJHSGFPMSA-N	-1	0	323.349	0.615	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC001588368296	983304728	/nfs/dbraw/zinc/30/47/28/983304728.db2.gz	JPLQFBSUNWYFCS-VIFPVBQESA-N	-1	0	304.302	0.812	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)[C@@H]1CCCO1	ZINC001588370448	983319366	/nfs/dbraw/zinc/31/93/66/983319366.db2.gz	DDWQIWLKWBFRPN-XQHKEYJVSA-N	-1	0	322.361	0.043	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])C1CCOCC1	ZINC001588377447	983357141	/nfs/dbraw/zinc/35/71/41/983357141.db2.gz	LZWGZKXFBUPPSP-CYBMUJFWSA-N	-1	0	317.407	0.979	20	30		DCEDRM
C#CC1(O)CN(C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)C1	ZINC001588379425	983364250	/nfs/dbraw/zinc/36/42/50/983364250.db2.gz	HGPPMJBXTPIOPI-VTWZXRTESA-N	-1	0	324.402	0.505	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1	ZINC001588382365	983371064	/nfs/dbraw/zinc/37/10/64/983371064.db2.gz	NPMCKSZXNZVGNA-RWMBFGLXSA-N	-1	0	306.362	0.427	20	30		DCEDRM
C#C[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C1	ZINC001588383294	983379799	/nfs/dbraw/zinc/37/97/99/983379799.db2.gz	SCOUBEJCUASGFT-JTQLQIEISA-N	-1	0	308.359	0.882	20	30		DCEDRM
C#CCC(CC#C)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001588390456	983394156	/nfs/dbraw/zinc/39/41/56/983394156.db2.gz	VLGZNERTEKDVLO-CHWSQXEVSA-N	-1	0	305.330	0.514	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588393179	983397011	/nfs/dbraw/zinc/39/70/11/983397011.db2.gz	COBRFERQVRSGSA-HZMBPMFUSA-N	-1	0	309.322	0.040	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C	ZINC001588393792	983400197	/nfs/dbraw/zinc/40/01/97/983400197.db2.gz	JUQIYVTVSBLQQJ-SECBINFHSA-N	-1	0	315.322	0.495	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2	ZINC001588394008	983401335	/nfs/dbraw/zinc/40/13/35/983401335.db2.gz	LEBSKOMWSJLLNL-IUCAKERBSA-N	-1	0	323.374	0.838	20	30		DCEDRM
C#CC[C@H](COC)NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001588395097	983404450	/nfs/dbraw/zinc/40/44/50/983404450.db2.gz	PNXGCMFLSIPHLQ-CYBMUJFWSA-N	-1	0	311.359	0.843	20	30		DCEDRM
C#CC[C@H](COC)NS(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC001588395835	983406813	/nfs/dbraw/zinc/40/68/13/983406813.db2.gz	UFVJOKCKAHCNJT-SECBINFHSA-N	-1	0	315.347	0.857	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F)C(=O)[O-]	ZINC001588398448	983412326	/nfs/dbraw/zinc/41/23/26/983412326.db2.gz	JCPNQLHCEDRJHR-UTLUCORTSA-N	-1	0	323.267	0.563	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1cccc(NS(C)(=O)=O)c1)C(=O)[O-]	ZINC001588407623	983428763	/nfs/dbraw/zinc/42/87/63/983428763.db2.gz	LIFIKSHCSMIXAP-GFCCVEGCSA-N	-1	0	324.358	0.193	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(Cn2cc(C)cn2)on1)C(=O)[O-]	ZINC001588414213	983433364	/nfs/dbraw/zinc/43/33/64/983433364.db2.gz	PIZQQRNBFKOQNH-LLVKDONJSA-N	-1	0	302.290	0.434	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cn(Cc2cccc(F)c2)nn1)C(=O)[O-]	ZINC001588416776	983437532	/nfs/dbraw/zinc/43/75/32/983437532.db2.gz	QYHHXYSWLDWEIO-GFCCVEGCSA-N	-1	0	316.292	0.672	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)C(=O)[O-]	ZINC001588421076	983438976	/nfs/dbraw/zinc/43/89/76/983438976.db2.gz	AIPFRKIJLNXULD-GFCCVEGCSA-N	-1	0	316.292	0.921	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)[C@@H](CCC)C(=O)OCC)C(=O)[O-]	ZINC001588423981	983454637	/nfs/dbraw/zinc/45/46/37/983454637.db2.gz	QVYIJEMCKUJEQI-UWVGGRQHSA-N	-1	0	305.352	0.114	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)OC	ZINC001588424732	983456520	/nfs/dbraw/zinc/45/65/20/983456520.db2.gz	ZXSLPQOMUVUBEM-LLVKDONJSA-N	-1	0	311.315	0.228	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc2ccncc21)C(=O)[O-]	ZINC001588428250	983460925	/nfs/dbraw/zinc/46/09/25/983460925.db2.gz	GYQNIOCWIWVWAO-LBPRGKRZSA-N	-1	0	304.327	0.990	20	30		DCEDRM
C#CCC1(C(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001588428293	983460955	/nfs/dbraw/zinc/46/09/55/983460955.db2.gz	JHZJBINKMXIFIX-CHWSQXEVSA-N	-1	0	320.389	0.865	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC001588461676	983490942	/nfs/dbraw/zinc/49/09/42/983490942.db2.gz	WYWOSBTXLAVKGU-CYBMUJFWSA-N	-1	0	300.314	0.289	20	30		DCEDRM
C#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC001588464067	983493248	/nfs/dbraw/zinc/49/32/48/983493248.db2.gz	UYBLTZLNXMQNQO-UHFFFAOYSA-N	-1	0	311.315	0.425	20	30		DCEDRM
C#CCN(CC#N)C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001588464718	983494176	/nfs/dbraw/zinc/49/41/76/983494176.db2.gz	FTWDHHOKQZSCQS-UHFFFAOYSA-N	-1	0	301.302	0.752	20	30		DCEDRM
C#CCN(CC#CC)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588464721	983494259	/nfs/dbraw/zinc/49/42/59/983494259.db2.gz	GCVXMTPJCROFIP-UHFFFAOYSA-N	-1	0	316.338	0.904	20	30		DCEDRM
C#CCN1C(=O)c2ccccc2N[C@@H]1c1cn(CC(=O)[O-])nn1	ZINC001588471789	983507901	/nfs/dbraw/zinc/50/79/01/983507901.db2.gz	ZPUVZHGNTODCNV-AWEZNQCLSA-N	-1	0	311.301	0.562	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588505953	983550072	/nfs/dbraw/zinc/55/00/72/983550072.db2.gz	BKVYXFFMNRXFOC-KXNHARMFSA-N	-1	0	324.402	0.085	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC001588506008	983550649	/nfs/dbraw/zinc/55/06/49/983550649.db2.gz	DPTJCENLHAAAMV-ABAIWWIYSA-N	-1	0	324.402	0.325	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)c1	ZINC001588523586	983572897	/nfs/dbraw/zinc/57/28/97/983572897.db2.gz	PJKFQFFHXAVBIG-INIZCTEOSA-N	-1	0	316.313	0.356	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CN1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588536159	983592450	/nfs/dbraw/zinc/59/24/50/983592450.db2.gz	UXPLCDRCCJTGSP-OOCWMUITSA-N	-1	0	308.334	0.609	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C1(CC(=O)OCC)CC1)C(=O)[O-]	ZINC001588553116	983627441	/nfs/dbraw/zinc/62/74/41/983627441.db2.gz	HHWBXMZMIUPAHA-SNVBAGLBSA-N	-1	0	319.379	0.811	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C1(C(=O)OC)CCC1)C(=O)[O-]	ZINC001588553690	983628477	/nfs/dbraw/zinc/62/84/77/983628477.db2.gz	PWDYPUFABDQPGN-SECBINFHSA-N	-1	0	305.352	0.421	20	30		DCEDRM
C=C(C)Cn1c(CCO)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588597272	983678916	/nfs/dbraw/zinc/67/89/16/983678916.db2.gz	CHGPAOVWYXQPTN-QWHCGFSZSA-N	-1	0	320.393	0.936	20	30		DCEDRM
C=C(CC)C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1	ZINC001588606212	983696383	/nfs/dbraw/zinc/69/63/83/983696383.db2.gz	ZAFGCUBHBYPWPH-UHFFFAOYSA-N	-1	0	312.347	0.954	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O	ZINC001588614820	983708879	/nfs/dbraw/zinc/70/88/79/983708879.db2.gz	CRIOXYRAKYDDMK-MEBBXXQBSA-N	-1	0	323.349	0.387	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CSC[C@H]1C(=O)NCC1CC1	ZINC001588618785	983712956	/nfs/dbraw/zinc/71/29/56/983712956.db2.gz	AAMFQQPKLOUYGN-NSHDSACASA-N	-1	0	312.391	0.835	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NC	ZINC001588621853	983720895	/nfs/dbraw/zinc/72/08/95/983720895.db2.gz	LDBZOKHUEPVISX-ZDUSSCGKSA-N	-1	0	304.346	0.881	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F	ZINC001588622798	983725013	/nfs/dbraw/zinc/72/50/13/983725013.db2.gz	FFONCGFOVUTVSD-SNVBAGLBSA-N	-1	0	324.299	0.787	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](Cc1ccncc1)C(=O)OC	ZINC001588623103	983726557	/nfs/dbraw/zinc/72/65/57/983726557.db2.gz	JQHLXDLVLREXAV-CYBMUJFWSA-N	-1	0	320.345	0.951	20	30		DCEDRM
C=C[C@H](C(=O)[O-])n1cc(CN2CCC(C(=O)OCC)CC2)nn1	ZINC001588671699	983821906	/nfs/dbraw/zinc/82/19/06/983821906.db2.gz	GFTGJHJTGGHMBG-CYBMUJFWSA-N	-1	0	322.365	0.865	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C2	ZINC001588672478	983825224	/nfs/dbraw/zinc/82/52/24/983825224.db2.gz	SQVQVFNESUMIBQ-VXGBXAGGSA-N	-1	0	320.389	0.980	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O	ZINC001588683108	983846305	/nfs/dbraw/zinc/84/63/05/983846305.db2.gz	USHCNKBCDQEAEY-TVYUQYBPSA-N	-1	0	303.380	0.593	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)C[C@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588683797	983851514	/nfs/dbraw/zinc/85/15/14/983851514.db2.gz	DZDHOLACXKQVHN-BONVTDFDSA-N	-1	0	322.365	0.183	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNc1ccnc(C(=O)[O-])n1	ZINC001588684246	983856540	/nfs/dbraw/zinc/85/65/40/983856540.db2.gz	NSVMNHOQHHXYTL-ZUZCIYMTSA-N	-1	0	322.365	0.231	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1CC1CC1	ZINC001588704577	983924657	/nfs/dbraw/zinc/92/46/57/983924657.db2.gz	GWKFDKWWZPTDTO-WDEREUQCSA-N	-1	0	308.338	0.197	20	30		DCEDRM
C=C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC001588711174	983936056	/nfs/dbraw/zinc/93/60/56/983936056.db2.gz	MJSMTVQBAKIDLD-LLVKDONJSA-N	-1	0	313.331	0.490	20	30		DCEDRM
C=C[C@@H](OC(=O)CCc1c(C)nc2ncnn2c1C)C(=O)[O-]	ZINC001588712069	983941602	/nfs/dbraw/zinc/94/16/02/983941602.db2.gz	SXEPFXCLQNQXPO-LLVKDONJSA-N	-1	0	304.306	0.856	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001588737608	984029773	/nfs/dbraw/zinc/02/97/73/984029773.db2.gz	NNEHKWRSECGYRF-SNVBAGLBSA-N	-1	0	314.363	0.551	20	30		DCEDRM
CCN1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001596416187	984034660	/nfs/dbraw/zinc/03/46/60/984034660.db2.gz	XUUMUOHTICGAII-LLVKDONJSA-N	-1	0	323.374	0.629	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588745106	984048673	/nfs/dbraw/zinc/04/86/73/984048673.db2.gz	VSRAJUBABUKTAF-WVIDZAQPSA-N	-1	0	312.366	0.635	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588774011	984150428	/nfs/dbraw/zinc/15/04/28/984150428.db2.gz	OSCNVOMWDVYXDU-MNOVXSKESA-N	-1	0	304.350	0.822	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)C1(C(=O)OC)CCC1)C(=O)[O-]	ZINC001588797288	984228883	/nfs/dbraw/zinc/22/88/83/984228883.db2.gz	BEFAWUPGNANVBY-JTQLQIEISA-N	-1	0	319.379	0.811	20	30		DCEDRM
C=CCCCCn1nnnc1N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588802654	984249995	/nfs/dbraw/zinc/24/99/95/984249995.db2.gz	RZFUVPOBPPVWRC-GFCCVEGCSA-N	-1	0	309.370	0.691	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588803802	984252446	/nfs/dbraw/zinc/25/24/46/984252446.db2.gz	LQIAKRFCTVQZKR-UWVGGRQHSA-N	-1	0	305.352	0.088	20	30		DCEDRM
C=CCCOCC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1	ZINC001588810377	984266876	/nfs/dbraw/zinc/26/68/76/984266876.db2.gz	LPHYSVLTWQIDIU-UHFFFAOYSA-N	-1	0	319.379	0.117	20	30		DCEDRM
C=CCN([C@@H](C)COC)S(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC001588820492	984284900	/nfs/dbraw/zinc/28/49/00/984284900.db2.gz	GNWVMWZFGCDATL-JTQLQIEISA-N	-1	0	314.363	0.991	20	30		DCEDRM
C=CCNC(=O)NC(=O)COc1ccc(C(=O)[O-])c(OC)c1	ZINC001588844401	984357359	/nfs/dbraw/zinc/35/73/59/984357359.db2.gz	XLQOJDIBGBWDCM-UHFFFAOYSA-N	-1	0	308.290	0.784	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccc(CC(=O)OCC(=O)[O-])s1	ZINC001588847983	984368508	/nfs/dbraw/zinc/36/85/08/984368508.db2.gz	XWORYLMOEZPRBG-UHFFFAOYSA-N	-1	0	319.360	0.383	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1	ZINC001588850000	984377657	/nfs/dbraw/zinc/37/76/57/984377657.db2.gz	SEZBEMHBIHYTSS-VXGBXAGGSA-N	-1	0	310.350	0.113	20	30		DCEDRM
C=CCOCC(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588851099	984383214	/nfs/dbraw/zinc/38/32/14/984383214.db2.gz	UGKOYYAYCCFXHB-CHWSQXEVSA-N	-1	0	322.361	0.185	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCc2nncn2CC1)C(=O)[O-]	ZINC001588855985	984396048	/nfs/dbraw/zinc/39/60/48/984396048.db2.gz	SYZPQOHKTZBEIR-WDEREUQCSA-N	-1	0	308.338	0.003	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1csc2nccn12)C(=O)[O-]	ZINC001588856528	984401019	/nfs/dbraw/zinc/40/10/19/984401019.db2.gz	LNFRYVUVDMPWIQ-JTQLQIEISA-N	-1	0	309.347	0.710	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](CC1CCC1)NC(C)=O)C(=O)[O-]	ZINC001588857349	984402907	/nfs/dbraw/zinc/40/29/07/984402907.db2.gz	XCCCZIDEECBICU-CHWSQXEVSA-N	-1	0	312.366	0.453	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)C[C@]1(C)CC1(F)F)C(=O)[O-]	ZINC001588866043	984422377	/nfs/dbraw/zinc/42/23/77/984422377.db2.gz	HYFFHXLSMXNGTA-SCZZXKLOSA-N	-1	0	313.322	0.607	20	30		DCEDRM
C=CCOc1ccccc1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-]	ZINC001588877197	984451763	/nfs/dbraw/zinc/45/17/63/984451763.db2.gz	BJYKDBBWEMFYIC-JTQLQIEISA-N	-1	0	307.302	0.998	20	30		DCEDRM
C=CCn1c([C@@H](OC)C2CC2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588896180	984499764	/nfs/dbraw/zinc/49/97/64/984499764.db2.gz	QKXKZOKNDSRUKT-NEPJUHHUSA-N	-1	0	322.365	0.851	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588916339	984559921	/nfs/dbraw/zinc/55/99/21/984559921.db2.gz	GWQUHAMTOAXHJU-OSHAPPAQSA-N	-1	0	322.361	0.063	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)OCCCc1cn(CC(=O)[O-])nn1	ZINC001588916677	984562865	/nfs/dbraw/zinc/56/28/65/984562865.db2.gz	YVJWPHZWSUZUFZ-NEPJUHHUSA-N	-1	0	309.322	0.430	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588917943	984568088	/nfs/dbraw/zinc/56/80/88/984568088.db2.gz	KTZPKCNEBNMSPN-OLZOCXBDSA-N	-1	0	318.329	0.712	20	30		DCEDRM
CC#CCN(C)S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-]	ZINC001588931028	984600452	/nfs/dbraw/zinc/60/04/52/984600452.db2.gz	JBSKDPPHRLTARB-UHFFFAOYSA-N	-1	0	311.359	0.966	20	30		DCEDRM
CC#CCNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC001588931460	984602924	/nfs/dbraw/zinc/60/29/24/984602924.db2.gz	VIQSAOGIBXNAQT-UHFFFAOYSA-N	-1	0	320.301	0.480	20	30		DCEDRM
Cc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cn2ccnc12	ZINC001450356456	1015080650	/nfs/dbraw/zinc/08/06/50/1015080650.db2.gz	SOFNDYOIFOFFRS-UHFFFAOYSA-N	-1	0	324.300	0.415	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@@H](C(=O)[O-])O1	ZINC001599931217	985317061	/nfs/dbraw/zinc/31/70/61/985317061.db2.gz	SLFVXMDGVBAZCE-ONGXEEELSA-N	-1	0	310.331	0.421	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC001599942471	985471566	/nfs/dbraw/zinc/47/15/66/985471566.db2.gz	LWEIUBLMPFJVDI-LBPRGKRZSA-N	-1	0	307.306	0.577	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001384549115	985655939	/nfs/dbraw/zinc/65/59/39/985655939.db2.gz	QLBLJGHECOJRFV-QNSHHTMESA-N	-1	0	305.338	0.208	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001384587410	985682074	/nfs/dbraw/zinc/68/20/74/985682074.db2.gz	HRQZISTUNMFBPF-INTQDDNPSA-N	-1	0	319.365	0.598	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001599973337	986045705	/nfs/dbraw/zinc/04/57/05/986045705.db2.gz	NZZOCBVXPBVCBT-ZDUSSCGKSA-N	-1	0	315.329	0.672	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001589330097	986170325	/nfs/dbraw/zinc/17/03/25/986170325.db2.gz	YFZQEHNDWLDVAA-GHMZBOCLSA-N	-1	0	317.349	0.667	20	30		DCEDRM
C[C@H](C(=O)N[C@@H](C(=O)[O-])C1CCCCC1)n1cnc(C#N)n1	ZINC001589374087	986426006	/nfs/dbraw/zinc/42/60/06/986426006.db2.gz	JAOATZKBDWAZLO-BXKDBHETSA-N	-1	0	305.338	0.860	20	30		DCEDRM
C[C@H](C(=O)N[C@H](CC(=O)[O-])C1CCCC1)n1cnc(C#N)n1	ZINC001589381100	986462525	/nfs/dbraw/zinc/46/25/25/986462525.db2.gz	LYFYZPWXGAARQD-MWLCHTKSSA-N	-1	0	305.338	0.860	20	30		DCEDRM
C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001589444148	986795094	/nfs/dbraw/zinc/79/50/94/986795094.db2.gz	DPSKIKSPAYAWAD-WXHSDQCUSA-N	-1	0	317.345	0.653	20	30		DCEDRM
CC(C)(C(=O)[O-])c1ccc(NC(=O)NCC(=O)NCC#N)cc1	ZINC001589636482	987555202	/nfs/dbraw/zinc/55/52/02/987555202.db2.gz	VSWYWKATXHPADA-UHFFFAOYSA-N	-1	0	318.333	0.810	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001589684537	987722089	/nfs/dbraw/zinc/72/20/89/987722089.db2.gz	INNPSXJKFRAJEL-XYPYZODXSA-N	-1	0	316.361	0.705	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001389533309	989369675	/nfs/dbraw/zinc/36/96/75/989369675.db2.gz	WLRNBJRKHGMWAA-UWVGGRQHSA-N	-1	0	304.354	0.141	20	30		DCEDRM
CCn1cc([C@@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)C2CC2)nn1	ZINC001597881165	989705610	/nfs/dbraw/zinc/70/56/10/989705610.db2.gz	VQMQAFOJWDTWKJ-VIFPVBQESA-N	-1	0	321.362	0.135	20	30		DCEDRM
CCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001390166654	989883853	/nfs/dbraw/zinc/88/38/53/989883853.db2.gz	ZVMXOEYEUUDTBP-ONGXEEELSA-N	-1	0	319.365	0.646	20	30		DCEDRM
CCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001390166651	989885350	/nfs/dbraw/zinc/88/53/50/989885350.db2.gz	ZVMXOEYEUUDTBP-GXSJLCMTSA-N	-1	0	319.365	0.646	20	30		DCEDRM
CN(C(=O)CN1CCC[C@H](O)[C@H]1C(=O)[O-])C1(C#N)CCCCC1	ZINC001598022860	990217569	/nfs/dbraw/zinc/21/75/69/990217569.db2.gz	JDIQZXQOWFBPAN-JSGCOSHPSA-N	-1	0	323.393	0.581	20	30		DCEDRM
CN(C)C(=O)[C@@H]1CC[C@H](CNc2ccc(C(=O)[O-])nc2C#N)O1	ZINC001598120274	990541213	/nfs/dbraw/zinc/54/12/13/990541213.db2.gz	XLTZGLQLPAVJOD-RNCFNFMXSA-N	-1	0	318.333	0.699	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001590927855	990936343	/nfs/dbraw/zinc/93/63/43/990936343.db2.gz	LFHKVPNVWSAKOB-TXEJJXNPSA-N	-1	0	302.334	0.893	20	30		DCEDRM
CC(C)C[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001591124664	991817132	/nfs/dbraw/zinc/81/71/32/991817132.db2.gz	XRPRRAVUKHZVIU-ABAIWWIYSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CS(=O)(=O)C1CCC(C(=O)N(CC#N)CC(=O)[O-])CC1	ZINC001599745719	991925975	/nfs/dbraw/zinc/92/59/75/991925975.db2.gz	JYHCNRKAXHMGMO-UHFFFAOYSA-N	-1	0	302.352	0.027	20	30		DCEDRM
CN(CCC#N)C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001598469068	991995333	/nfs/dbraw/zinc/99/53/33/991995333.db2.gz	WSXVWWZJQRZRFY-UHFFFAOYSA-N	-1	0	311.244	0.974	20	30		DCEDRM
CN(CCc1cccc(C#N)c1)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC001598500184	992424206	/nfs/dbraw/zinc/42/42/06/992424206.db2.gz	JTTORIVIEBXLKD-UHFFFAOYSA-N	-1	0	313.317	0.549	20	30		DCEDRM
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NCCCCC(=O)[O-]	ZINC001598507363	992523456	/nfs/dbraw/zinc/52/34/56/992523456.db2.gz	OFIYIDRSSVUQIE-UHFFFAOYSA-N	-1	0	323.374	0.949	20	30		DCEDRM
CC(C)N(CCN(C)C(=O)C#CC1CC1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001591590619	992800591	/nfs/dbraw/zinc/80/05/91/992800591.db2.gz	AIAJEXXDFVGHLQ-UONOGXRCSA-N	-1	0	320.389	0.816	20	30		DCEDRM
C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ncc(C(=O)[O-])s1	ZINC001593248063	994468469	/nfs/dbraw/zinc/46/84/69/994468469.db2.gz	SMZDUUNVAQUAFV-NXEZZACHSA-N	-1	0	312.395	0.698	20	30		DCEDRM
CCC(CC)N(CCOC)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001464251635	1015894016	/nfs/dbraw/zinc/89/40/16/1015894016.db2.gz	BINRAVPQGNVKLV-UHFFFAOYSA-N	-1	0	322.365	0.484	20	30		DCEDRM
C[C@@H](C(=O)Nc1nc(C(=O)[O-])c(Cl)[nH]1)n1cnc(C#N)n1	ZINC001573400610	1163427304	/nfs/dbraw/zinc/42/73/04/1163427304.db2.gz	ZAIYUFWRIHVYHH-BYPYZUCNSA-N	-1	0	309.673	0.424	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)c2c[nH]c(C(=O)[O-])c2)CC1	ZINC001598716546	995417195	/nfs/dbraw/zinc/41/71/95/995417195.db2.gz	MHSGWZYPRCTHEC-UHFFFAOYSA-N	-1	0	305.290	0.632	20	30		DCEDRM
COC(=O)C1=CC[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001598730098	995549990	/nfs/dbraw/zinc/54/99/90/995549990.db2.gz	SOCPVJIODLVUEK-NSHDSACASA-N	-1	0	321.333	0.648	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2cccc(C#N)c2C)C[C@H]1C(=O)[O-]	ZINC001598820118	996316319	/nfs/dbraw/zinc/31/63/19/996316319.db2.gz	FRZMOYPBUZJSJU-CHWSQXEVSA-N	-1	0	316.313	0.813	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2ccsc2C#N)C[C@H]1C(=O)[O-]	ZINC001598821685	996335476	/nfs/dbraw/zinc/33/54/76/996335476.db2.gz	LMAAXBBKAJSNJU-RKDXNWHRSA-N	-1	0	308.315	0.566	20	30		DCEDRM
COC(=O)[C@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1C(=O)[O-]	ZINC001598826913	996392871	/nfs/dbraw/zinc/39/28/71/996392871.db2.gz	KFEQOWNEMFYUBU-RITPCOANSA-N	-1	0	315.738	0.978	20	30		DCEDRM
COC(=O)[C@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC001598827942	996404409	/nfs/dbraw/zinc/40/44/09/996404409.db2.gz	OREHUFUOTHEGDI-ZJUUUORDSA-N	-1	0	319.273	0.776	20	30		DCEDRM
Cc1cc(O)ccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001466225265	1016063026	/nfs/dbraw/zinc/06/30/26/1016063026.db2.gz	WMUWJXBBJUDJCD-UHFFFAOYSA-N	-1	0	300.274	0.473	20	30		DCEDRM
C[C@@]1(CCC(=O)[O-])NC(=O)N(CN2CCC(CC#N)CC2)C1=O	ZINC001594003239	997397420	/nfs/dbraw/zinc/39/74/20/997397420.db2.gz	RTZBDSCEEUZHMO-HNNXBMFYSA-N	-1	0	322.365	0.745	20	30		DCEDRM
CNC(=O)N1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001466896772	1016121285	/nfs/dbraw/zinc/12/12/85/1016121285.db2.gz	QWXZXHYUIQTDHV-UHFFFAOYSA-N	-1	0	303.322	0.065	20	30		DCEDRM
CC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001467258681	1016149108	/nfs/dbraw/zinc/14/91/08/1016149108.db2.gz	LOZMEZOTLDKHPS-ZETCQYMHSA-N	-1	0	304.228	0.278	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001599348054	998043764	/nfs/dbraw/zinc/04/37/64/998043764.db2.gz	SCDYQDOMOFRAAQ-IINYFYTJSA-N	-1	0	320.301	0.304	20	30		DCEDRM
C=CCON=C([O-])Nc1nc2cc(S(N)(=O)=O)ccc2o1	ZINC001467540134	1016180627	/nfs/dbraw/zinc/18/06/27/1016180627.db2.gz	BCLUJMJWZIYPFO-UHFFFAOYSA-N	-1	0	312.307	0.714	20	30		DCEDRM
COc1cc(S(=O)(=O)N2CC(C)(C#N)C2)ccc1C(=O)[O-]	ZINC001599458672	998232622	/nfs/dbraw/zinc/23/26/22/998232622.db2.gz	DLEIANZAKGSBDE-UHFFFAOYSA-N	-1	0	310.331	0.928	20	30		DCEDRM
COC[C@@](C)(NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC001599155391	998363200	/nfs/dbraw/zinc/36/32/00/998363200.db2.gz	TWGUNYCXWZUZFF-CYBMUJFWSA-N	-1	0	312.347	0.521	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NC2(C#N)CC2)c1	ZINC001598964612	998392830	/nfs/dbraw/zinc/39/28/30/998392830.db2.gz	WTEWMWGLXHENSL-UHFFFAOYSA-N	-1	0	324.314	0.506	20	30		DCEDRM
COCCn1c(CCCC#N)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001599268003	998500566	/nfs/dbraw/zinc/50/05/66/998500566.db2.gz	DNTWRLAVEVJDKM-LLVKDONJSA-N	-1	0	307.354	0.682	20	30		DCEDRM
COC(=O)c1ccc(NC[C@H]2CCO[C@H]2C(=O)[O-])c(C#N)n1	ZINC001598983958	998683977	/nfs/dbraw/zinc/68/39/77/998683977.db2.gz	CCNNQYWNQVASBX-PRHODGIISA-N	-1	0	305.290	0.641	20	30		DCEDRM
CO[C@@H](CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C(F)(F)F	ZINC001599050482	999183779	/nfs/dbraw/zinc/18/37/79/999183779.db2.gz	BMXDYWCLGSEARY-QMMMGPOBSA-N	-1	0	323.271	0.964	20	30		DCEDRM
C[C@@H]1C[C@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CS1	ZINC001469011701	1016299016	/nfs/dbraw/zinc/29/90/16/1016299016.db2.gz	ZGJYEFZDTHHQRI-SCZZXKLOSA-N	-1	0	308.363	0.221	20	30		DCEDRM
C[C@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C[C@H](C)N1CC#N	ZINC001594470932	999703083	/nfs/dbraw/zinc/70/30/83/999703083.db2.gz	PWLPTJHIABCRRC-QWRGUYRKSA-N	-1	0	305.338	0.026	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2c[nH]cc2C2CC2)c(=O)[n-]c1=O	ZINC001418537043	1000325981	/nfs/dbraw/zinc/32/59/81/1000325981.db2.gz	VRAUQKWPUNZWTK-UHFFFAOYSA-N	-1	0	313.317	0.456	20	30		DCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCC[C@@H]1C#N	ZINC001471050321	1016515472	/nfs/dbraw/zinc/51/54/72/1016515472.db2.gz	LHWAZACJCXUMHX-ZYHUDNBSSA-N	-1	0	315.333	0.361	20	30		DCEDRM
C[C@H](C1CC1)n1cc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cn1	ZINC001472764977	1016850009	/nfs/dbraw/zinc/85/00/09/1016850009.db2.gz	YQMCBBNXWNPPBQ-MRVPVSSYSA-N	-1	0	300.322	0.856	20	30		DCEDRM
Cc1cccc(NCCNc2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001472885253	1016867997	/nfs/dbraw/zinc/86/79/97/1016867997.db2.gz	NGJBQTBKMXWHND-UHFFFAOYSA-N	-1	0	300.322	0.173	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCC[C@H]1c1nc[nH]n1)cc2=O	ZINC001473671754	1016959877	/nfs/dbraw/zinc/95/98/77/1016959877.db2.gz	IXLHFOQJAJEMKQ-NSHDSACASA-N	-1	0	310.321	0.762	20	30		DCEDRM
COCCN(CC(=O)N(C)C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417636909	1005857163	/nfs/dbraw/zinc/85/71/63/1005857163.db2.gz	ZHVCDGJOSOMGBJ-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](O)C1CCOCC1	ZINC001417667758	1005863743	/nfs/dbraw/zinc/86/37/43/1005863743.db2.gz	KAOBLWOZOPJPQH-GFCCVEGCSA-N	-1	0	305.334	0.485	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](C)[S@](=O)CC1	ZINC001417712339	1005873996	/nfs/dbraw/zinc/87/39/96/1005873996.db2.gz	CQNQGUNTQZBSRV-LADRHHBVSA-N	-1	0	307.375	0.950	20	30		DCEDRM
CCC(=O)N1CCCC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001418237970	1006224474	/nfs/dbraw/zinc/22/44/74/1006224474.db2.gz	OWGVURCYQBIFTG-LLVKDONJSA-N	-1	0	300.322	0.883	20	30		DCEDRM
C[S@](=O)C1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)o2)CC1	ZINC001574097981	1163635606	/nfs/dbraw/zinc/63/56/06/1163635606.db2.gz	VYGGFNWNCYKKJB-NRFANRHFSA-N	-1	0	310.331	0.589	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C2=CC(=O)CS2)c(=O)[n-]c1=O	ZINC001453840798	1008753251	/nfs/dbraw/zinc/75/32/51/1008753251.db2.gz	GOSYOAPFNFCTID-UHFFFAOYSA-N	-1	0	306.303	0.018	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2CCC(F)(F)C2)c(=O)[n-]c1=O	ZINC001453841540	1008756328	/nfs/dbraw/zinc/75/63/28/1008756328.db2.gz	IPMDHFGIGZCIJU-MRVPVSSYSA-N	-1	0	312.276	0.372	20	30		DCEDRM
CS[C@@H]1CCC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001433705591	1009100703	/nfs/dbraw/zinc/10/07/03/1009100703.db2.gz	VWWHSGIXRZFQBL-GHMZBOCLSA-N	-1	0	322.390	0.611	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(c2nnn[n-]2)CC1	ZINC001455021407	1009448527	/nfs/dbraw/zinc/44/85/27/1009448527.db2.gz	NZIBOUZSSKMYGR-GFCCVEGCSA-N	-1	0	306.370	0.377	20	30		DCEDRM
CCOC1(C)CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001434048371	1009491146	/nfs/dbraw/zinc/49/11/46/1009491146.db2.gz	XMTURSUHHJBOLN-UHFFFAOYSA-N	-1	0	320.349	0.238	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C2CN(C)C2)CC1	ZINC001434358001	1009824244	/nfs/dbraw/zinc/82/42/44/1009824244.db2.gz	VDOSNKZTNTWEDJ-UHFFFAOYSA-N	-1	0	315.377	0.039	20	30		DCEDRM
Cc1noc(C2([N-]S(=O)(=O)c3cncc(C#N)c3)CC2)n1	ZINC001434658686	1010163792	/nfs/dbraw/zinc/16/37/92/1010163792.db2.gz	PLKBARSYLXBQPC-UHFFFAOYSA-N	-1	0	305.319	0.612	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001535210392	1011858334	/nfs/dbraw/zinc/85/83/34/1011858334.db2.gz	IEPFAWZGTOTTMP-AWEZNQCLSA-N	-1	0	322.365	0.129	20	30		DCEDRM
O=C(C=Cc1ccc(F)cc1)C(=O)NCCc1nc(=O)o[n-]1	ZINC001556410307	1012203307	/nfs/dbraw/zinc/20/33/07/1012203307.db2.gz	HNDBPKCIIZNWBZ-ZZXKWVIFSA-N	-1	0	305.265	0.443	20	30		DCEDRM
N#Cc1cncc(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)c1	ZINC001558451062	1012356019	/nfs/dbraw/zinc/35/60/19/1012356019.db2.gz	DOEVAAYDHMWAPU-UHFFFAOYSA-N	-1	0	320.316	0.272	20	30		DCEDRM
CC(=O)c1cccc(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001459137661	1012591876	/nfs/dbraw/zinc/59/18/76/1012591876.db2.gz	NHBDQTHJMBKPRN-UHFFFAOYSA-N	-1	0	312.285	0.250	20	30		DCEDRM
C[C@H]1CC(=O)NCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001459887118	1012834295	/nfs/dbraw/zinc/83/42/95/1012834295.db2.gz	QNGJYTDOUFRDFY-VIFPVBQESA-N	-1	0	300.322	0.017	20	30		DCEDRM
C#C[C@@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC(=C)C)C1	ZINC001515805276	1017134970	/nfs/dbraw/zinc/13/49/70/1017134970.db2.gz	UXBHIRPDBKZVTH-GFCCVEGCSA-N	-1	0	312.377	0.928	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001506655823	1017439265	/nfs/dbraw/zinc/43/92/65/1017439265.db2.gz	VARCGUPIUUDPIT-SNVBAGLBSA-N	-1	0	305.382	0.803	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001480251394	1018361060	/nfs/dbraw/zinc/36/10/60/1018361060.db2.gz	PXOBXJVRGFLSEN-NHYWBVRUSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCC(N)=O	ZINC001546261776	1018583542	/nfs/dbraw/zinc/58/35/42/1018583542.db2.gz	RXPDQPYQRGKDEM-JTQLQIEISA-N	-1	0	315.370	0.769	20	30		DCEDRM
CC[C@@](C)(NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001609896506	1171118061	/nfs/dbraw/zinc/11/80/61/1171118061.db2.gz	PGVUDYGXAROCCF-GCZGRYASSA-N	-1	0	309.322	0.272	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1	ZINC000088376922	185247846	/nfs/dbraw/zinc/24/78/46/185247846.db2.gz	FXMDDIXIQOWPKA-LBPRGKRZSA-N	-1	0	310.331	0.173	20	30		DCEDRM
COCC[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000071238818	190947569	/nfs/dbraw/zinc/94/75/69/190947569.db2.gz	AQOYYOUJJSMXPA-NSHDSACASA-N	-1	0	316.310	0.465	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccncn2)cc1	ZINC000158761869	291232384	/nfs/dbraw/zinc/23/23/84/291232384.db2.gz	ZDXZOCMSPSKTCZ-ZZXKWVIFSA-N	-1	0	314.326	0.867	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000273700799	238289817	/nfs/dbraw/zinc/28/98/17/238289817.db2.gz	JSJREVDLKYJGDP-SNVBAGLBSA-N	-1	0	314.294	0.437	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000275362982	212292710	/nfs/dbraw/zinc/29/27/10/212292710.db2.gz	XTLWPUKHLWHRSJ-MRVPVSSYSA-N	-1	0	304.274	0.945	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)/C=C/c2ccncn2)c1	ZINC000493818265	241162791	/nfs/dbraw/zinc/16/27/91/241162791.db2.gz	IZYTUGVRGSVTFO-OWOJBTEDSA-N	-1	0	315.314	0.262	20	30		DCEDRM
COC(=O)[C@@]1([N-]S(=O)(=O)Cc2ccc(C#N)cc2)CCOC1	ZINC000288438980	220142310	/nfs/dbraw/zinc/14/23/10/220142310.db2.gz	UGQQRYIZMYCPNH-CQSZACIVSA-N	-1	0	324.358	0.310	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC(=O)[O-])cc1C(F)(F)F	ZINC000340454165	253258011	/nfs/dbraw/zinc/25/80/11/253258011.db2.gz	JWZNYJHQRRUQSZ-UHFFFAOYSA-N	-1	0	308.237	0.940	20	30		DCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000048507588	395816537	/nfs/dbraw/zinc/81/65/37/395816537.db2.gz	GCPOLJUYAOPYCK-UHFFFAOYSA-N	-1	0	311.319	0.701	20	30		DCEDRM
Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(C#N)cn1	ZINC000114413061	395833820	/nfs/dbraw/zinc/83/38/20/395833820.db2.gz	JGUURFFDRGOSRD-UHFFFAOYSA-N	-1	0	322.328	0.836	20	30		DCEDRM
Cc1cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)ccc1C#N	ZINC000235880150	395893319	/nfs/dbraw/zinc/89/33/19/395893319.db2.gz	KZLVSUPYPDDWFN-ZDUSSCGKSA-N	-1	0	310.331	0.389	20	30		DCEDRM
C=CCSCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000231937647	395886146	/nfs/dbraw/zinc/88/61/46/395886146.db2.gz	UVRAKRSTWMXXBM-UHFFFAOYSA-N	-1	0	305.381	0.165	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1	ZINC000060738799	395963507	/nfs/dbraw/zinc/96/35/07/395963507.db2.gz	PAMWQJKYKJQTSN-UHFFFAOYSA-N	-1	0	305.319	0.041	20	30		DCEDRM
N#CCc1ccc(CS(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000594689871	396497174	/nfs/dbraw/zinc/49/71/74/396497174.db2.gz	GYRATNFZIWAKGQ-AWEZNQCLSA-N	-1	0	324.358	0.416	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000594750191	396505612	/nfs/dbraw/zinc/50/56/12/396505612.db2.gz	YKOACRHLFRLGTJ-AWEZNQCLSA-N	-1	0	323.374	0.758	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)ccc1C#N	ZINC000594530661	396484482	/nfs/dbraw/zinc/48/44/82/396484482.db2.gz	MIKYEBDSAFSABC-LLVKDONJSA-N	-1	0	318.333	0.673	20	30		DCEDRM
N#Cc1ccc(O[C@H]2CCN(c3nc4n[nH]cc4c(=O)[nH]3)C2)nc1	ZINC000291943024	396520571	/nfs/dbraw/zinc/52/05/71/396520571.db2.gz	TUYYIPMNVBJYGG-JTQLQIEISA-N	-1	0	323.316	0.983	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-]	ZINC000581946812	396596049	/nfs/dbraw/zinc/59/60/49/396596049.db2.gz	DDTGQCDKKHPAES-MWLCHTKSSA-N	-1	0	315.351	0.344	20	30		DCEDRM
N#Cc1cc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc(N)c1[N+](=O)[O-]	ZINC000595972259	396700679	/nfs/dbraw/zinc/70/06/79/396700679.db2.gz	KHIRNEPKBUNBIM-YMTOWFKASA-N	-1	0	318.289	0.586	20	30		DCEDRM
COc1cc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1C#N	ZINC000591269441	396891429	/nfs/dbraw/zinc/89/14/29/396891429.db2.gz	DYVOGBSPPGUNPA-CYBMUJFWSA-N	-1	0	319.317	0.562	20	30		DCEDRM
COc1cc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1C#N	ZINC000591269442	396892420	/nfs/dbraw/zinc/89/24/20/396892420.db2.gz	DYVOGBSPPGUNPA-ZDUSSCGKSA-N	-1	0	319.317	0.562	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1nn(C)c2ccccc21)C(=O)[O-]	ZINC000630185659	396955947	/nfs/dbraw/zinc/95/59/47/396955947.db2.gz	FJTSJEFABRTLTG-NSHDSACASA-N	-1	0	303.318	0.959	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cccc(C#N)c1	ZINC000591667492	396970355	/nfs/dbraw/zinc/97/03/55/396970355.db2.gz	SLNLKSABGBXKFL-CQSZACIVSA-N	-1	0	324.358	0.813	20	30		DCEDRM
C[C@H](CSCCNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000592448360	397182049	/nfs/dbraw/zinc/18/20/49/397182049.db2.gz	BBZLIBGFWUVICM-SECBINFHSA-N	-1	0	306.409	0.663	20	30		DCEDRM
C=CCCOCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000620198109	397251222	/nfs/dbraw/zinc/25/12/22/397251222.db2.gz	RFMYDJVTBFWWMX-UHFFFAOYSA-N	-1	0	306.369	0.441	20	30		DCEDRM
C[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@@H](C)S1	ZINC000602107441	397303630	/nfs/dbraw/zinc/30/36/30/397303630.db2.gz	QXLXVFPTVQEDDF-NXEZZACHSA-N	-1	0	322.390	0.563	20	30		DCEDRM
C[C@H]1Cc2ccccc2CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602110830	397304809	/nfs/dbraw/zinc/30/48/09/397304809.db2.gz	QUMHIGDGTMAXOP-NSHDSACASA-N	-1	0	324.340	0.794	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000593269572	397346621	/nfs/dbraw/zinc/34/66/21/397346621.db2.gz	JMZBFVQXJNRSIQ-WDEREUQCSA-N	-1	0	303.384	0.794	20	30		DCEDRM
C[C@](CNC(=O)N1CCO[C@H](C#N)C1)(C(=O)[O-])c1ccccc1	ZINC000593699658	397428770	/nfs/dbraw/zinc/42/87/70/397428770.db2.gz	DIQMLKJNJRYMTQ-CZUORRHYSA-N	-1	0	317.345	0.963	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)nn1	ZINC000425239564	397404869	/nfs/dbraw/zinc/40/48/69/397404869.db2.gz	KVDMTLLEBYAMQI-CMPLNLGQSA-N	-1	0	308.338	0.464	20	30		DCEDRM
CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1	ZINC000578898226	397500910	/nfs/dbraw/zinc/50/09/10/397500910.db2.gz	RDURJSFFPLWTRO-JQWIXIFHSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NC1CCC(C(=O)[O-])CC1	ZINC000579361398	397558599	/nfs/dbraw/zinc/55/85/99/397558599.db2.gz	YCZKDSWTIRYWEY-KPPDAEKUSA-N	-1	0	303.384	0.556	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnn(CCO)c1	ZINC000609629697	397787815	/nfs/dbraw/zinc/78/78/15/397787815.db2.gz	SKHVTAZUWKIGHD-UHFFFAOYSA-N	-1	0	306.347	0.856	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000610494429	397826265	/nfs/dbraw/zinc/82/62/65/397826265.db2.gz	GTFBYVSTGXKNJY-GFCCVEGCSA-N	-1	0	312.333	0.667	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCC1=O	ZINC000408488810	160119224	/nfs/dbraw/zinc/11/92/24/160119224.db2.gz	OKERXDSNYSGLJV-ONGXEEELSA-N	-1	0	321.358	0.763	20	30		DCEDRM
COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000342492633	415191555	/nfs/dbraw/zinc/19/15/55/415191555.db2.gz	PSECAQMCJFUTIU-UHFFFAOYSA-N	-1	0	310.291	0.759	20	30		DCEDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000288132651	415674866	/nfs/dbraw/zinc/67/48/66/415674866.db2.gz	AXPZDNSEQMSUKJ-UHFFFAOYSA-N	-1	0	314.367	0.738	20	30		DCEDRM
Cn1cnc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)c1Cl	ZINC000117740678	415733006	/nfs/dbraw/zinc/73/30/06/415733006.db2.gz	GJQQFIYJVVEAEH-UHFFFAOYSA-N	-1	0	314.758	0.984	20	30		DCEDRM
CC(C)[C@@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000125658008	415867560	/nfs/dbraw/zinc/86/75/60/415867560.db2.gz	IIBUNUVLQHKGRW-SNVBAGLBSA-N	-1	0	313.335	0.762	20	30		DCEDRM
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cn[nH]n1	ZINC000329087595	416149266	/nfs/dbraw/zinc/14/92/66/416149266.db2.gz	VKEGVGOPFIGUEQ-UHFFFAOYSA-N	-1	0	321.362	0.676	20	30		DCEDRM
N#C[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccccc1F	ZINC000345947675	416173324	/nfs/dbraw/zinc/17/33/24/416173324.db2.gz	IBVNWYWYSAIZRU-QMMMGPOBSA-N	-1	0	303.253	0.604	20	30		DCEDRM
CC(C)C[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000228698715	416327889	/nfs/dbraw/zinc/32/78/89/416327889.db2.gz	GPLPHFVRJOEWFO-SNVBAGLBSA-N	-1	0	311.363	0.978	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2cnc(C#N)cn2)C1=O	ZINC000416451263	416369890	/nfs/dbraw/zinc/36/98/90/416369890.db2.gz	ZCVSGPIUAKUXDZ-CMPLNLGQSA-N	-1	0	303.322	0.470	20	30		DCEDRM
Cc1nc(N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)ccc1C#N	ZINC000416441573	416369932	/nfs/dbraw/zinc/36/99/32/416369932.db2.gz	FEBRMKGMUMKSNQ-GXTWGEPZSA-N	-1	0	316.361	1.384	20	30		DCEDRM
C#CCN(CC#CC)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000490778502	416575466	/nfs/dbraw/zinc/57/54/66/416575466.db2.gz	GLCYFAJFHXVDGM-UHFFFAOYSA-N	-1	0	310.313	0.843	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1	ZINC000440088622	416625955	/nfs/dbraw/zinc/62/59/55/416625955.db2.gz	AUOSXBVFDCYLEN-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
Cn1nccc1/C=C/C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000492401242	416636576	/nfs/dbraw/zinc/63/65/76/416636576.db2.gz	UHBHMUCXHFULDQ-SNAWJCMRSA-N	-1	0	322.390	0.963	20	30		DCEDRM
Cn1nccc1/C=C\C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000492401241	416637078	/nfs/dbraw/zinc/63/70/78/416637078.db2.gz	UHBHMUCXHFULDQ-PLNGDYQASA-N	-1	0	322.390	0.963	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1	ZINC000424513438	416658232	/nfs/dbraw/zinc/65/82/32/416658232.db2.gz	XJIOYXQTGFHOKB-NNYUYHANSA-N	-1	0	307.350	0.364	20	30		DCEDRM
C=CCN(C(=O)C[C@@H](C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000570696909	417384284	/nfs/dbraw/zinc/38/42/84/417384284.db2.gz	XLVVMDJZCXIKBK-GHMZBOCLSA-N	-1	0	303.380	0.689	20	30		DCEDRM
C[C@@H]1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1C(=O)[O-]	ZINC000574813042	417489008	/nfs/dbraw/zinc/48/90/08/417489008.db2.gz	NPTKSKPWEVKBPY-MNOVXSKESA-N	-1	0	305.338	1.371	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCn3cccc3[C@H]2C(=O)[O-])CC1	ZINC000574150753	417481024	/nfs/dbraw/zinc/48/10/24/417481024.db2.gz	FYVMRMTYQSRBMG-NSHDSACASA-N	-1	0	309.347	0.563	20	30		DCEDRM
Cc1oc(CNS(=O)(=O)N(C)C[C@H](C)C#N)cc1C(=O)[O-]	ZINC000576640418	417625636	/nfs/dbraw/zinc/62/56/36/417625636.db2.gz	KYKCEIFHBVGDOZ-MRVPVSSYSA-N	-1	0	315.351	0.712	20	30		DCEDRM
C=CCCS(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000647623894	418034645	/nfs/dbraw/zinc/03/46/45/418034645.db2.gz	JFJCXXHMQYLUOT-SNVBAGLBSA-N	-1	0	314.367	0.519	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000649187307	418207074	/nfs/dbraw/zinc/20/70/74/418207074.db2.gz	NSEURYNYLJJJEG-VIFPVBQESA-N	-1	0	316.317	0.249	20	30		DCEDRM
C=CCn1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)nn1	ZINC000649244470	418213875	/nfs/dbraw/zinc/21/38/75/418213875.db2.gz	IMACTNCRCJMUFK-LLVKDONJSA-N	-1	0	308.338	0.560	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCC[C@@H](OC)C2)nn1	ZINC000656246764	418337745	/nfs/dbraw/zinc/33/77/45/418337745.db2.gz	WOXHMXICYAEDRF-LOWVWBTDSA-N	-1	0	322.365	0.852	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCCC1CC(OC)C1)C(=O)[O-]	ZINC000656586834	418364985	/nfs/dbraw/zinc/36/49/85/418364985.db2.gz	VQKROZGJMWFRHZ-HTAVTVPLSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCC1(NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCOCC1	ZINC000656721312	418372276	/nfs/dbraw/zinc/37/22/76/418372276.db2.gz	LCGGRTWRLVHAQE-NSHDSACASA-N	-1	0	318.395	0.495	20	30		DCEDRM
C=CCOCCCNS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC000656724392	418373503	/nfs/dbraw/zinc/37/35/03/418373503.db2.gz	QSFXOGIMKQCHLC-UHFFFAOYSA-N	-1	0	300.336	0.651	20	30		DCEDRM
Cc1cc(S(=O)(=O)[N-]c2ncn(C)c2C(N)=O)ccc1C#N	ZINC000442619194	268019600	/nfs/dbraw/zinc/01/96/00/268019600.db2.gz	SQUSXUZVIZNOCV-UHFFFAOYSA-N	-1	0	319.346	0.500	20	30		DCEDRM
N#Cc1cc(Cl)ccc1N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424474377	268180726	/nfs/dbraw/zinc/18/07/26/268180726.db2.gz	RMEUNRYXIXAXGO-LLVKDONJSA-N	-1	0	314.750	0.900	20	30		DCEDRM
C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000558851833	288461396	/nfs/dbraw/zinc/46/13/96/288461396.db2.gz	KGHOVAICAJLJRR-MRVPVSSYSA-N	-1	0	300.311	0.837	20	30		DCEDRM
CC1(C)CCN(S(=O)(=O)c2cncc(C#N)c2)[C@H]1C(=O)[O-]	ZINC000565762659	288876156	/nfs/dbraw/zinc/87/61/56/288876156.db2.gz	WZPRAYGRUOCTOF-NSHDSACASA-N	-1	0	309.347	0.827	20	30		DCEDRM
Cc1cc(C(=O)N[C@]2(C#N)CCOC2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000358474307	301149487	/nfs/dbraw/zinc/14/94/87/301149487.db2.gz	LQTPSYOWDDMAEV-AWEZNQCLSA-N	-1	0	315.289	0.157	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000275080874	303183616	/nfs/dbraw/zinc/18/36/16/303183616.db2.gz	IRQXLGQUBLYATH-JTQLQIEISA-N	-1	0	314.294	0.171	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000370141856	303184437	/nfs/dbraw/zinc/18/44/37/303184437.db2.gz	JBPCTHLKWPXLHL-LBPRGKRZSA-N	-1	0	314.294	0.219	20	30		DCEDRM
CSCC[C@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000572770093	332780591	/nfs/dbraw/zinc/78/05/91/332780591.db2.gz	HHUDPNJJQFNGTL-VIFPVBQESA-N	-1	0	306.409	0.806	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCCOC1CCCC1)C(=O)[O-]	ZINC000583909733	331459468	/nfs/dbraw/zinc/45/94/68/331459468.db2.gz	NMJCFHMZJWSVNU-LBPRGKRZSA-N	-1	0	300.355	0.901	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)CC(=O)[O-]	ZINC000530487771	331492561	/nfs/dbraw/zinc/49/25/61/331492561.db2.gz	TXLQVNJDNLVHHA-NSHDSACASA-N	-1	0	318.395	0.870	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)NCC[C@H](C)CC(=O)[O-]	ZINC000569461122	332093345	/nfs/dbraw/zinc/09/33/45/332093345.db2.gz	MXQSZBRUEBYOSZ-NSHDSACASA-N	-1	0	321.399	0.184	20	30		DCEDRM
CCCc1nc(=NC(=O)NCCNC(=O)N(C)C)s[n-]1	ZINC000330490172	334784523	/nfs/dbraw/zinc/78/45/23/334784523.db2.gz	NGEAQRJOHLCDLX-UHFFFAOYSA-N	-1	0	300.388	0.714	20	30		DCEDRM
Cc1ccc(-n2[n-]c(C(=O)N3CCO[C@H](C#N)C3)cc2=O)cc1	ZINC000330971905	334825308	/nfs/dbraw/zinc/82/53/08/334825308.db2.gz	UIBZJSBSHHLDBF-CYBMUJFWSA-N	-1	0	312.329	0.839	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCSC[C@@H]2CC(=O)[O-])nn1	ZINC000425248717	337444048	/nfs/dbraw/zinc/44/40/48/337444048.db2.gz	RXQBFJQGOCKJRB-JTQLQIEISA-N	-1	0	310.379	0.887	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000422612708	337683072	/nfs/dbraw/zinc/68/30/72/337683072.db2.gz	VLVPGSPDDFLFIK-UHFFFAOYSA-N	-1	0	320.345	0.961	20	30		DCEDRM
N#CCSc1cccc(C(=O)NCCc2nc(=O)o[n-]2)c1	ZINC000447633879	338562348	/nfs/dbraw/zinc/56/23/48/338562348.db2.gz	HXHRVVAFHXVFMV-UHFFFAOYSA-N	-1	0	304.331	0.951	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccc2c(c1)CCO2	ZINC000493555573	339928186	/nfs/dbraw/zinc/92/81/86/339928186.db2.gz	NIHXDSPOCYYPHW-HYXAFXHYSA-N	-1	0	306.343	0.994	20	30		DCEDRM
CC(C)(C)OC(=O)NCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000494416221	339948632	/nfs/dbraw/zinc/94/86/32/339948632.db2.gz	CLASNWKVUUDGPE-UHFFFAOYSA-N	-1	0	319.383	0.651	20	30		DCEDRM
COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000494954980	339967122	/nfs/dbraw/zinc/96/71/22/339967122.db2.gz	QWTPFCDFWVVRKH-VIFPVBQESA-N	-1	0	317.367	0.261	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000566311176	341553705	/nfs/dbraw/zinc/55/37/05/341553705.db2.gz	BDCKVOTYWWUZAQ-NXEZZACHSA-N	-1	0	305.400	0.802	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCOC)[C@@H](C)C(=O)[O-]	ZINC000568001646	341644980	/nfs/dbraw/zinc/64/49/80/341644980.db2.gz	DBDQXMFBWMCDEF-QWRGUYRKSA-N	-1	0	321.399	0.134	20	30		DCEDRM
N#CC1(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001601057615	1159779398	/nfs/dbraw/zinc/77/93/98/1159779398.db2.gz	BHAISFVOSFGMQB-UHFFFAOYSA-N	-1	0	311.275	0.627	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccnc1C(F)(F)F	ZINC001601072253	1159780649	/nfs/dbraw/zinc/78/06/49/1159780649.db2.gz	NTUJIIFDQAAPEV-UHFFFAOYSA-N	-1	0	323.252	0.699	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@H](C#N)C1	ZINC000330644013	518173044	/nfs/dbraw/zinc/17/30/44/518173044.db2.gz	FUJDZUNXPJSMRW-SNVBAGLBSA-N	-1	0	309.347	0.423	20	30		DCEDRM
N#CCCCS(=O)(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000274896118	534627008	/nfs/dbraw/zinc/62/70/08/534627008.db2.gz	HBHHCFULOGEIBQ-GFCCVEGCSA-N	-1	0	312.347	0.611	20	30		DCEDRM
C[C@H](O)[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000160684170	525843587	/nfs/dbraw/zinc/84/35/87/525843587.db2.gz	NAFRCCHGPSZAPJ-WKEGUHRASA-N	-1	0	318.738	0.324	20	30		DCEDRM
C#CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000266762927	526737488	/nfs/dbraw/zinc/73/74/88/526737488.db2.gz	QPLPIYBIZWOEGG-UHFFFAOYSA-N	-1	0	322.386	0.930	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000263130716	526787308	/nfs/dbraw/zinc/78/73/08/526787308.db2.gz	VYRQXLDMHICRJF-GFCCVEGCSA-N	-1	0	321.329	0.772	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)CC1CCOCC1)C(=O)OC	ZINC000360601936	526793606	/nfs/dbraw/zinc/79/36/06/526793606.db2.gz	YYUVWKWFNQEFQC-GFCCVEGCSA-N	-1	0	321.395	0.077	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnn(C)c1-n1cccc1)C(=O)[O-]	ZINC000262978304	526809698	/nfs/dbraw/zinc/80/96/98/526809698.db2.gz	KMNTVHRCFVDRJC-LBPRGKRZSA-N	-1	0	318.333	0.596	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000159605674	527222342	/nfs/dbraw/zinc/22/23/42/527222342.db2.gz	BJJCTAGXEGVRGQ-JTQLQIEISA-N	-1	0	313.331	0.765	20	30		DCEDRM
C=CCC[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC000262797920	527475547	/nfs/dbraw/zinc/47/55/47/527475547.db2.gz	CKFRKGFGPRZCNV-LBPRGKRZSA-N	-1	0	316.313	0.818	20	30		DCEDRM
C=CCN(C(=O)CC1(C(=O)[O-])CCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000262523592	527533176	/nfs/dbraw/zinc/53/31/76/527533176.db2.gz	OEIGOVNAJOZDCE-LLVKDONJSA-N	-1	0	315.391	0.833	20	30		DCEDRM
CCCc1nc(=NC(=O)NCC2(O)CCOCC2)s[n-]1	ZINC000330874491	528681570	/nfs/dbraw/zinc/68/15/70/528681570.db2.gz	ZHZUYMCHGFRRFA-UHFFFAOYSA-N	-1	0	300.384	0.780	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000263137915	528709465	/nfs/dbraw/zinc/70/94/65/528709465.db2.gz	NWDJZPMPVDIPAX-GMTAPVOTSA-N	-1	0	303.384	0.365	20	30		DCEDRM
CCCc1nc(=NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)s[n-]1	ZINC000425812367	535467704	/nfs/dbraw/zinc/46/77/04/535467704.db2.gz	LUFNUSXNCBQFID-DTWKUNHWSA-N	-1	0	307.379	0.659	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CCOC[C@@H]2C#N)c1	ZINC000424699601	536921322	/nfs/dbraw/zinc/92/13/22/536921322.db2.gz	VUQMPGACRBEMSV-WIUDPPPLSA-N	-1	0	308.359	0.554	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1c(CC)nn(C)c1CC)C(=O)[O-]	ZINC000681559058	548263667	/nfs/dbraw/zinc/26/36/67/548263667.db2.gz	ZHXHTPKJBQOLKY-SNVBAGLBSA-N	-1	0	315.395	0.853	20	30		DCEDRM
COc1ccsc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000737159313	598965037	/nfs/dbraw/zinc/96/50/37/598965037.db2.gz	MQBZYPCFJSULIZ-UHFFFAOYSA-N	-1	0	316.306	0.784	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000765034750	597033341	/nfs/dbraw/zinc/03/33/41/597033341.db2.gz	JYEYBCQFEZJJAO-YAWLZAOSSA-N	-1	0	323.349	0.518	20	30		DCEDRM
C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)[O-])c1	ZINC000737532334	597495352	/nfs/dbraw/zinc/49/53/52/597495352.db2.gz	FYKAVPRUQKQGIT-VIFPVBQESA-N	-1	0	313.331	0.781	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000819111220	597509869	/nfs/dbraw/zinc/50/98/69/597509869.db2.gz	OOYBFAPKBXMGBA-LLVKDONJSA-N	-1	0	303.322	0.481	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819954826	597625016	/nfs/dbraw/zinc/62/50/16/597625016.db2.gz	AWKDYJBILDLLLJ-ZIAGYGMSSA-N	-1	0	309.322	0.589	20	30		DCEDRM
CN(CC(=O)NCc1ccco1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820562370	597628989	/nfs/dbraw/zinc/62/89/89/597628989.db2.gz	HOQJWOJCHAJFAT-CQSZACIVSA-N	-1	0	307.306	0.359	20	30		DCEDRM
CN(Cc1nnc2n1CCCCC2)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820607425	597630509	/nfs/dbraw/zinc/63/05/09/597630509.db2.gz	BFLVZQBDUBFYSP-OAHLLOKOSA-N	-1	0	319.365	0.967	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(CC(F)(F)F)C1	ZINC000819821794	597638761	/nfs/dbraw/zinc/63/87/61/597638761.db2.gz	JULQGSBSHDOFKA-KCJUWKMLSA-N	-1	0	307.272	0.744	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CCN(CC(F)F)CC1	ZINC000819821437	597638898	/nfs/dbraw/zinc/63/88/98/597638898.db2.gz	GNYJMCZLESQUBI-ZDUSSCGKSA-N	-1	0	303.309	0.837	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCCN1c1cccnn1	ZINC000819834855	597648093	/nfs/dbraw/zinc/64/80/93/597648093.db2.gz	POSZXKZPQJFPMK-IAQYHMDHSA-N	-1	0	317.349	0.566	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H]1N1CCOCC1	ZINC000820297149	597651521	/nfs/dbraw/zinc/65/15/21/597651521.db2.gz	NLNDDLSJMDOMKT-XJKCOSOUSA-N	-1	0	323.393	0.560	20	30		DCEDRM
CCn1nc2c(cc1=O)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000820517849	597654426	/nfs/dbraw/zinc/65/44/26/597654426.db2.gz	SLTVCKMFEBLPMQ-HNNXBMFYSA-N	-1	0	318.333	0.152	20	30		DCEDRM
CCOc1ncnc2c1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000820391690	597654435	/nfs/dbraw/zinc/65/44/35/597654435.db2.gz	HMSSTZMILPWOML-HNNXBMFYSA-N	-1	0	318.333	0.765	20	30		DCEDRM
CNC(=O)c1ccc(OC)c(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000820640445	598224281	/nfs/dbraw/zinc/22/42/81/598224281.db2.gz	ACWNLBHQHJVDLD-HNNXBMFYSA-N	-1	0	319.317	0.998	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000819823747	598224370	/nfs/dbraw/zinc/22/43/70/598224370.db2.gz	WRGDXDWFFYGAHG-IAQYHMDHSA-N	-1	0	317.349	0.566	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)OCC(=O)N2	ZINC000819856507	598224761	/nfs/dbraw/zinc/22/47/61/598224761.db2.gz	JBBYNUCVZDEPDB-CQSZACIVSA-N	-1	0	303.274	0.961	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NCc1ccccc1	ZINC000819864675	598225061	/nfs/dbraw/zinc/22/50/61/598225061.db2.gz	BBARFCFGQMMFIF-OAHLLOKOSA-N	-1	0	304.302	0.851	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1	ZINC000819824494	598228292	/nfs/dbraw/zinc/22/82/92/598228292.db2.gz	YMKCLPRYQUJNSW-OPQQBVKSSA-N	-1	0	316.379	0.463	20	30		DCEDRM
CO[C@@H](C)c1noc(CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000820696303	598229587	/nfs/dbraw/zinc/22/95/87/598229587.db2.gz	BOAAJAXYBTZIDM-SDBXPKJASA-N	-1	0	310.310	0.740	20	30		DCEDRM
C[C@@H](C(=O)NCC(=O)[O-])N1CCN(c2ccccc2C#N)CC1	ZINC000736208292	599716582	/nfs/dbraw/zinc/71/65/82/599716582.db2.gz	MIPIDCDZLAMRKP-LBPRGKRZSA-N	-1	0	316.361	0.270	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)/C=C\c1ccccc1C#N	ZINC000737605759	599751142	/nfs/dbraw/zinc/75/11/42/599751142.db2.gz	YXMZCKCPDFNJEJ-SREVYHEPSA-N	-1	0	302.286	0.658	20	30		DCEDRM
C[C@@H](CN(C1CC1)S(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000736577070	599939602	/nfs/dbraw/zinc/93/96/02/599939602.db2.gz	ZWTWJXVPQZHGQC-VIFPVBQESA-N	-1	0	309.347	0.827	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C#N)C1	ZINC000093932743	599981224	/nfs/dbraw/zinc/98/12/24/599981224.db2.gz	UWOFBNYNCKMSSB-NSHDSACASA-N	-1	0	310.331	0.606	20	30		DCEDRM
C[C@@H](OC(=O)CCNC(=O)[O-])C(=O)NC1(C#N)CCCCC1	ZINC000736690372	600203323	/nfs/dbraw/zinc/20/33/23/600203323.db2.gz	SMJJZRNBPMHNJW-SNVBAGLBSA-N	-1	0	311.338	0.918	20	30		DCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC000736379559	600207777	/nfs/dbraw/zinc/20/77/77/600207777.db2.gz	DQCBOIKSTOFPFG-BXUZGUMPSA-N	-1	0	311.338	0.630	20	30		DCEDRM
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000736868560	600400842	/nfs/dbraw/zinc/40/08/42/600400842.db2.gz	LIOSLVKNBVNOGJ-NWDGAFQWSA-N	-1	0	309.366	0.708	20	30		DCEDRM
Cc1ccc2c(c1)C(=O)N(CC(=O)N(CC#N)CC(=O)[O-])C2=O	ZINC000738666951	600402042	/nfs/dbraw/zinc/40/20/42/600402042.db2.gz	ZGZSABUFZWUFOF-UHFFFAOYSA-N	-1	0	315.285	0.028	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)Cn1cc(Br)cn1	ZINC000739078308	600402349	/nfs/dbraw/zinc/40/23/49/600402349.db2.gz	DZKQAIMVSKLEDQ-UHFFFAOYSA-N	-1	0	301.100	0.082	20	30		DCEDRM
C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736650435	600403257	/nfs/dbraw/zinc/40/32/57/600403257.db2.gz	OMSZDPIBSFFNRR-SNVBAGLBSA-N	-1	0	304.306	0.633	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(-n2cnnn2)cc1Cl	ZINC000739086799	600403390	/nfs/dbraw/zinc/40/33/90/600403390.db2.gz	IPBNSEWAYISVQV-UHFFFAOYSA-N	-1	0	320.696	0.366	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)COc1ccc(C=O)cc1[N+](=O)[O-]	ZINC000739079352	600408212	/nfs/dbraw/zinc/40/82/12/600408212.db2.gz	WFTPHQOPMKQOPN-UHFFFAOYSA-N	-1	0	321.245	0.223	20	30		DCEDRM
Cc1c(CC(=O)N(CC#N)CC(=O)[O-])nnn1-c1ccccc1	ZINC000738289226	600408735	/nfs/dbraw/zinc/40/87/35/600408735.db2.gz	NAHRNYQPESBWKU-UHFFFAOYSA-N	-1	0	313.317	0.555	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCc1nc2ccccc2oc1=O	ZINC000739077808	600410013	/nfs/dbraw/zinc/41/00/13/600410013.db2.gz	UAFCUFIFWBGGIG-UHFFFAOYSA-N	-1	0	315.285	0.557	20	30		DCEDRM
N#CCCCS(=O)(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000739073627	600520239	/nfs/dbraw/zinc/52/02/39/600520239.db2.gz	XJTZTWTWJMBWRW-LLVKDONJSA-N	-1	0	304.368	0.576	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)CNC(=O)C2CC2)C(=O)[O-])cc1	ZINC000739110598	600611318	/nfs/dbraw/zinc/61/13/18/600611318.db2.gz	RLGJRUMMVVOWJG-ZDUSSCGKSA-N	-1	0	302.286	0.753	20	30		DCEDRM
C#CCOc1ccc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])cc1	ZINC000825632346	600692415	/nfs/dbraw/zinc/69/24/15/600692415.db2.gz	XYMODXAHQSTUMB-SNVBAGLBSA-N	-1	0	305.286	0.445	20	30		DCEDRM
COc1cc(C#N)ccc1OCCN1CCO[C@@H](C(=O)[O-])C1	ZINC000737844503	600713499	/nfs/dbraw/zinc/71/34/99/600713499.db2.gz	MMZJUMYVDVDYSC-CQSZACIVSA-N	-1	0	306.318	0.731	20	30		DCEDRM
C#CCNC(=O)[C@H](C)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC000825620304	600894000	/nfs/dbraw/zinc/89/40/00/600894000.db2.gz	ZULWISKICYKMMN-VIFPVBQESA-N	-1	0	306.318	0.952	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	ZINC000736076700	600902469	/nfs/dbraw/zinc/90/24/69/600902469.db2.gz	SPRLHSXBEYARQN-ZDUSSCGKSA-N	-1	0	316.313	0.114	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)c1	ZINC000833074899	600989886	/nfs/dbraw/zinc/98/98/86/600989886.db2.gz	FUHCVZUYVVEDCJ-UHFFFAOYSA-N	-1	0	324.358	0.813	20	30		DCEDRM
Cc1ccc(NC(=O)NC(=O)CN(CC#N)CC(=O)[O-])cc1C	ZINC000832947106	601002181	/nfs/dbraw/zinc/00/21/81/601002181.db2.gz	UFICUWDWKZXAGZ-UHFFFAOYSA-N	-1	0	318.333	0.862	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)CN(CC(=O)[O-])C1CCOCC1	ZINC000829642044	601045590	/nfs/dbraw/zinc/04/55/90/601045590.db2.gz	GBDIZINZUCHXRA-GFCCVEGCSA-N	-1	0	311.382	0.560	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000833067430	601226337	/nfs/dbraw/zinc/22/63/37/601226337.db2.gz	SYWIILIQQKFXKQ-UHFFFAOYSA-N	-1	0	303.278	0.117	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)NC[C@H]1Cc2ccccc2O1	ZINC000833066440	601226893	/nfs/dbraw/zinc/22/68/93/601226893.db2.gz	YUPPHKAUNYMACE-GFCCVEGCSA-N	-1	0	303.318	0.016	20	30		DCEDRM
CCc1oc(C(=O)[O-])cc1Cn1c(=O)c(C#N)cn(CC)c1=O	ZINC000830398228	601405882	/nfs/dbraw/zinc/40/58/82/601405882.db2.gz	IIUFEDDSKOYFDU-UHFFFAOYSA-N	-1	0	317.301	0.803	20	30		DCEDRM
CC[C@@H](C)[C@H](NC(=O)COC(=O)c1cc(C#N)c[nH]1)C(=O)[O-]	ZINC000828714465	601431044	/nfs/dbraw/zinc/43/10/44/601431044.db2.gz	ARWLUMUQTAQQJX-PELKAZGASA-N	-1	0	307.306	0.659	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCO[C@H](CC(=O)[O-])C1	ZINC000825994724	601461474	/nfs/dbraw/zinc/46/14/74/601461474.db2.gz	JITVNHGBAUXXCN-JMSVASOKSA-N	-1	0	311.382	0.605	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNS(=O)(=O)C[C@@H](C)C(=O)[O-])c1	ZINC000825636789	601777979	/nfs/dbraw/zinc/77/79/79/601777979.db2.gz	UCGIZYHCJNRNMI-SNVBAGLBSA-N	-1	0	324.358	0.247	20	30		DCEDRM
C#CCN1CCN(C(=O)CNc2cccc(CC(=O)[O-])c2)CC1	ZINC000817668571	601967892	/nfs/dbraw/zinc/96/78/92/601967892.db2.gz	KNNPQOJUZHKXRK-UHFFFAOYSA-N	-1	0	315.373	0.503	20	30		DCEDRM
C[C@@H](CC(=O)[O-])C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000827263852	602204620	/nfs/dbraw/zinc/20/46/20/602204620.db2.gz	UXTBRCMUQAAVGS-WDEREUQCSA-N	-1	0	317.349	0.496	20	30		DCEDRM
C[C@H](CC(=O)[O-])C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000827263845	602204752	/nfs/dbraw/zinc/20/47/52/602204752.db2.gz	UXTBRCMUQAAVGS-GHMZBOCLSA-N	-1	0	317.349	0.496	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N2CCN(C(=O)[O-])CC2)ccc1F	ZINC000738426012	602314692	/nfs/dbraw/zinc/31/46/92/602314692.db2.gz	RFODBHIHJMLBQZ-UHFFFAOYSA-N	-1	0	313.310	0.682	20	30		DCEDRM
C#Cc1cccc(N(CC(=O)NC)C(=O)C[C@@H](C)NC(=O)[O-])c1	ZINC000823466507	602951471	/nfs/dbraw/zinc/95/14/71/602951471.db2.gz	CDUWEQAOQMJTCT-LLVKDONJSA-N	-1	0	317.345	0.793	20	30		DCEDRM
C#CCCCNC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000823445027	603064507	/nfs/dbraw/zinc/06/45/07/603064507.db2.gz	URJVUZJWODQMQY-UHFFFAOYSA-N	-1	0	305.338	0.736	20	30		DCEDRM
CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1ccc(C#N)s1	ZINC000828316700	603442527	/nfs/dbraw/zinc/44/25/27/603442527.db2.gz	SBMXRBLRKPTBAL-UHFFFAOYSA-N	-1	0	322.390	0.987	20	30		DCEDRM
C=CCN(C(=O)CC1CN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1	ZINC000823500667	603563815	/nfs/dbraw/zinc/56/38/15/603563815.db2.gz	JSICEWQHSSXVGJ-NSHDSACASA-N	-1	0	316.379	0.188	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2c(c1)OCCO2	ZINC000831088061	603593352	/nfs/dbraw/zinc/59/33/52/603593352.db2.gz	WKXADMBJYIGCRD-NSHDSACASA-N	-1	0	317.301	0.786	20	30		DCEDRM
Cc1csc(=O)n1CCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830655195	603596780	/nfs/dbraw/zinc/59/67/80/603596780.db2.gz	KMFZWKXPGIKMJV-JTQLQIEISA-N	-1	0	324.362	0.323	20	30		DCEDRM
CN1CCN(C(=O)Nc2cccc(C#N)c2)[C@@H](CNC(=O)[O-])C1	ZINC000828506108	603597061	/nfs/dbraw/zinc/59/70/61/603597061.db2.gz	DLPNKHIAXBTFJX-ZDUSSCGKSA-N	-1	0	317.349	0.974	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000831087862	603602231	/nfs/dbraw/zinc/60/22/31/603602231.db2.gz	SHUMEUFCARBOHH-NSHDSACASA-N	-1	0	304.262	0.923	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)C[C@@H]1CCN(C(=O)[O-])C1	ZINC000831097591	603710894	/nfs/dbraw/zinc/71/08/94/603710894.db2.gz	MALSXEMELJWXAS-AWEZNQCLSA-N	-1	0	310.398	0.534	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1Cc1cnn(-c2ccccc2)n1	ZINC000831092763	603726964	/nfs/dbraw/zinc/72/69/64/603726964.db2.gz	YECRUTAZJNWIGQ-CQSZACIVSA-N	-1	0	312.333	0.955	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)NCc1ccccc1F	ZINC000831091363	603727507	/nfs/dbraw/zinc/72/75/07/603727507.db2.gz	CEFLHUITEJUAFB-LBPRGKRZSA-N	-1	0	320.324	0.630	20	30		DCEDRM
C=CCN(CC=C)C(=O)COC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000823500804	603788015	/nfs/dbraw/zinc/78/80/15/603788015.db2.gz	LUMSVPAZSAMCOB-CQSZACIVSA-N	-1	0	314.313	0.822	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000827111432	603800279	/nfs/dbraw/zinc/80/02/79/603800279.db2.gz	NEXNRSWHEOYOCC-CYBMUJFWSA-N	-1	0	315.301	0.384	20	30		DCEDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCN(CC#N)CC1	ZINC000826101765	603820220	/nfs/dbraw/zinc/82/02/20/603820220.db2.gz	QBZLWRUOPVICHO-MNOVXSKESA-N	-1	0	310.354	0.158	20	30		DCEDRM
N#Cc1ccc(OCCOC(=O)[C@H]2COCCN2C(=O)[O-])cc1	ZINC000831141097	603899395	/nfs/dbraw/zinc/89/93/95/603899395.db2.gz	CGIRSMWNDZEDGE-CYBMUJFWSA-N	-1	0	320.301	0.859	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000830527724	603918491	/nfs/dbraw/zinc/91/84/91/603918491.db2.gz	OMUJNOORPSVPQZ-LLVKDONJSA-N	-1	0	309.347	0.872	20	30		DCEDRM
CC(C)(C#N)C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1	ZINC000823737852	603958409	/nfs/dbraw/zinc/95/84/09/603958409.db2.gz	NLOWWGDARWXCCO-UHFFFAOYSA-N	-1	0	307.314	0.093	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000831087307	604066516	/nfs/dbraw/zinc/06/65/16/604066516.db2.gz	JYIALHZNUXGGCG-SECBINFHSA-N	-1	0	319.277	0.505	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CSc1nncs1	ZINC000831082093	604067529	/nfs/dbraw/zinc/06/75/29/604067529.db2.gz	IFLJTEYTZOSBDV-SSDOTTSWSA-N	-1	0	313.364	0.345	20	30		DCEDRM
Cc1nc(C)c(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c(=O)[nH]1	ZINC000830715850	604076280	/nfs/dbraw/zinc/07/62/80/604076280.db2.gz	KHNKHCHSDIRHDL-JTQLQIEISA-N	-1	0	319.321	0.056	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1nccn2ccnc12	ZINC000831092283	604080723	/nfs/dbraw/zinc/08/07/23/604080723.db2.gz	RMYZSRFYAPLAPT-VIFPVBQESA-N	-1	0	300.278	0.057	20	30		DCEDRM
Cc1ccn2ncc(C(=O)N3CCN(C(=O)[O-])C[C@@H]3C#N)c2n1	ZINC000830607154	604084790	/nfs/dbraw/zinc/08/47/90/604084790.db2.gz	MQIUSUCFDITNLO-JTQLQIEISA-N	-1	0	314.305	0.366	20	30		DCEDRM
N#C[C@@H](C(=O)Nc1ccccn1)C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000831064506	604152890	/nfs/dbraw/zinc/15/28/90/604152890.db2.gz	HJEPERJBPUTYNM-OTYXRUKQSA-N	-1	0	320.280	0.821	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)NC[C@@H]2CCCCN2C(=O)[O-])n1	ZINC000830985815	604155390	/nfs/dbraw/zinc/15/53/90/604155390.db2.gz	YCRXJHGBPQIYMP-JTQLQIEISA-N	-1	0	306.326	0.946	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CCO1	ZINC000831076479	604211488	/nfs/dbraw/zinc/21/14/88/604211488.db2.gz	NCPWGXDRVZSYBZ-FGNRJIRKSA-N	-1	0	308.338	0.594	20	30		DCEDRM
CNC(=O)[C@H](C#N)C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-]	ZINC000828520346	604224238	/nfs/dbraw/zinc/22/42/38/604224238.db2.gz	ANLYASBFKFPACY-NWDGAFQWSA-N	-1	0	303.318	0.710	20	30		DCEDRM
C[C@H](OC(=O)CC1(NC(=O)[O-])CCC1)C(=O)N(C)CCC#N	ZINC000825570461	604235548	/nfs/dbraw/zinc/23/55/48/604235548.db2.gz	KCYSHGJHOMKUDJ-JTQLQIEISA-N	-1	0	311.338	0.871	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CCCNC(=O)C(F)(F)F)c1=O	ZINC000833068651	604343140	/nfs/dbraw/zinc/34/31/40/604343140.db2.gz	HOMFYDRIBZWOCM-UHFFFAOYSA-N	-1	0	317.223	0.487	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(C#N)cn2C)CCO1	ZINC000825328895	604448053	/nfs/dbraw/zinc/44/80/53/604448053.db2.gz	XOHLYFRZOUIAAS-JOYOIKCWSA-N	-1	0	306.322	0.394	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)c1C#N	ZINC000830511653	604572597	/nfs/dbraw/zinc/57/25/97/604572597.db2.gz	KVINOFSKOLQDIZ-SNVBAGLBSA-N	-1	0	316.317	0.674	20	30		DCEDRM
C#CCOCCC(=O)OCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000833366428	604589424	/nfs/dbraw/zinc/58/94/24/604589424.db2.gz	WQLNSLLVKCGVAM-UHFFFAOYSA-N	-1	0	305.286	0.906	20	30		DCEDRM
N#CCOc1cc(F)ccc1NC(=O)COCCNC(=O)[O-]	ZINC000831102936	604639616	/nfs/dbraw/zinc/63/96/16/604639616.db2.gz	ZVJKOFBHYYQHAH-UHFFFAOYSA-N	-1	0	311.269	0.951	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823495943	604720445	/nfs/dbraw/zinc/72/04/45/604720445.db2.gz	AUQXRARJMWMDCJ-UTUOFQBUSA-N	-1	0	300.355	0.851	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)C2(C#N)CCOCC2)CCO1	ZINC000825295638	604722377	/nfs/dbraw/zinc/72/23/77/604722377.db2.gz	WGEVLSGDSJMPGX-MNOVXSKESA-N	-1	0	311.338	0.190	20	30		DCEDRM
C#CCOCCC(=O)NC1(C(=O)OC)CCC(C(=O)[O-])CC1	ZINC000833363871	604740069	/nfs/dbraw/zinc/74/00/69/604740069.db2.gz	CXAVUNRERBCRAD-UHFFFAOYSA-N	-1	0	311.334	0.329	20	30		DCEDRM
CC(C)(CNC(=O)[O-])NC(=O)C#Cc1ccc2c(c1)OCO2	ZINC000823979322	604816311	/nfs/dbraw/zinc/81/63/11/604816311.db2.gz	SAPCOYWGSAJFOW-UHFFFAOYSA-N	-1	0	304.302	0.929	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])cn1	ZINC000831087874	604868646	/nfs/dbraw/zinc/86/86/46/604868646.db2.gz	SLHZCRYYHAXWQO-VIFPVBQESA-N	-1	0	305.250	0.318	20	30		DCEDRM
C=CCSCCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833378757	604889821	/nfs/dbraw/zinc/88/98/21/604889821.db2.gz	UTXXJROLWBXPSQ-NSHDSACASA-N	-1	0	302.396	0.773	20	30		DCEDRM
C=CCOc1cccnc1C(=O)O[C@H](C)C(=O)NCC(=O)[O-]	ZINC000833378478	605077990	/nfs/dbraw/zinc/07/79/90/605077990.db2.gz	FQMVCQDSEXDXPQ-SECBINFHSA-N	-1	0	308.290	0.393	20	30		DCEDRM
C=C(C)CN(CC)C(=O)Cn1nc(C(=O)[O-])cc1C(=O)OC	ZINC000833369107	605185128	/nfs/dbraw/zinc/18/51/28/605185128.db2.gz	FZPWJALJZIIVDR-UHFFFAOYSA-N	-1	0	309.322	0.793	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000393790881	605211840	/nfs/dbraw/zinc/21/18/40/605211840.db2.gz	XRCPGGLAHFYSDT-UHFFFAOYSA-N	-1	0	312.347	0.274	20	30		DCEDRM
C[C@H](C#N)COC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000823647817	605284984	/nfs/dbraw/zinc/28/49/84/605284984.db2.gz	ODVMHKDZOUDLNL-SECBINFHSA-N	-1	0	307.310	0.909	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CCC[C@@H]2CNC(=O)[O-])nc1	ZINC000823456998	605342168	/nfs/dbraw/zinc/34/21/68/605342168.db2.gz	UBTKZTLJUKCOGO-GFCCVEGCSA-N	-1	0	302.334	0.681	20	30		DCEDRM
CC(C)(C#N)CCCN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O	ZINC000823737668	605343632	/nfs/dbraw/zinc/34/36/32/605343632.db2.gz	JHSLCCQJWHBMOE-AWEZNQCLSA-N	-1	0	308.338	0.991	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000833366053	605497844	/nfs/dbraw/zinc/49/78/44/605497844.db2.gz	DBTCVVNGCOSKEU-UHFFFAOYSA-N	-1	0	308.265	0.228	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1	ZINC000833466232	605562970	/nfs/dbraw/zinc/56/29/70/605562970.db2.gz	AHYFNKJCVALUCA-ZDUSSCGKSA-N	-1	0	317.349	0.481	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2CCN(C(=O)[O-])CC2)c1	ZINC000833967482	605572119	/nfs/dbraw/zinc/57/21/19/605572119.db2.gz	RNSMHUIOSVCIEH-UHFFFAOYSA-N	-1	0	303.318	0.954	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])cn1	ZINC000833368749	605646217	/nfs/dbraw/zinc/64/62/17/605646217.db2.gz	SVLGYBNEZUCTSS-GWCFXTLKSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#CCSCCNC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823466457	605657872	/nfs/dbraw/zinc/65/78/72/605657872.db2.gz	AWXGWELHESCQCN-JTQLQIEISA-N	-1	0	302.421	0.955	20	30		DCEDRM
N#Cc1cnccc1NC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000831161825	605681324	/nfs/dbraw/zinc/68/13/24/605681324.db2.gz	NIWQVLYNSIOWHY-JTQLQIEISA-N	-1	0	306.347	0.799	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCN(C(=O)[O-])CC2)CCCC1	ZINC000833964908	605688530	/nfs/dbraw/zinc/68/85/30/605688530.db2.gz	UDKQNWYHLSEMPV-UHFFFAOYSA-N	-1	0	301.368	0.696	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)/C=C\c1ccc(O)c(O)c1	ZINC000833966938	605697813	/nfs/dbraw/zinc/69/78/13/605697813.db2.gz	OUWUEVVQMORVLT-CJHWANRJSA-N	-1	0	317.301	0.825	20	30		DCEDRM
N#Cc1cccc(C2(NC(=O)COCCNC(=O)[O-])CC2)c1	ZINC000833978111	605742540	/nfs/dbraw/zinc/74/25/40/605742540.db2.gz	CCGKDKDHLXVKMW-UHFFFAOYSA-N	-1	0	303.318	0.948	20	30		DCEDRM
N#CC1(COC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCOCC1	ZINC000833964468	605781231	/nfs/dbraw/zinc/78/12/31/605781231.db2.gz	HSMWIRLLRJMZHP-CYBMUJFWSA-N	-1	0	300.286	0.942	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)NC2CCN(C(=O)[O-])CC2)cc1	ZINC000833973240	605834052	/nfs/dbraw/zinc/83/40/52/605834052.db2.gz	MKJGGJLBVOSJDD-ZDUSSCGKSA-N	-1	0	303.318	0.850	20	30		DCEDRM
C#CCN(CC)C(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC000833364636	605901417	/nfs/dbraw/zinc/90/14/17/605901417.db2.gz	ROAVOKPBHQGGIO-UHFFFAOYSA-N	-1	0	304.302	0.814	20	30		DCEDRM
N#CCC1CCN(C(=O)NCCN2CCN(C(=O)[O-])CC2)CC1	ZINC000833967953	605911134	/nfs/dbraw/zinc/91/11/34/605911134.db2.gz	ILODMIMHCHQNPN-UHFFFAOYSA-N	-1	0	323.397	0.617	20	30		DCEDRM
N#C[C@@H](C(=O)CN(C(=O)[O-])C1CC1)C(=O)Nc1ccccn1	ZINC000833960797	605982734	/nfs/dbraw/zinc/98/27/34/605982734.db2.gz	LJGXYHVVZXYHHC-JTQLQIEISA-N	-1	0	302.290	0.871	20	30		DCEDRM
CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2cnnn2C)o1	ZINC000820108963	606202667	/nfs/dbraw/zinc/20/26/67/606202667.db2.gz	WSCWIAVYJRISAC-UHFFFAOYSA-N	-1	0	316.329	0.628	20	30		DCEDRM
O=C(C#CC1CC1)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC000981761294	661212670	/nfs/dbraw/zinc/21/26/70/661212670.db2.gz	HYXVZHYPCVDCTQ-UHFFFAOYSA-N	-1	0	315.377	0.348	20	30		DCEDRM
C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001021566411	658032428	/nfs/dbraw/zinc/03/24/28/658032428.db2.gz	JFBNOHXJNINPCD-QWHCGFSZSA-N	-1	0	302.378	0.983	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)c1[O-]	ZINC000949424759	658080932	/nfs/dbraw/zinc/08/09/32/658080932.db2.gz	DORWODMHJQSTIY-NSHDSACASA-N	-1	0	302.334	0.168	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000092479917	658632562	/nfs/dbraw/zinc/63/25/62/658632562.db2.gz	JTJSNJBSPBENTP-UHFFFAOYSA-N	-1	0	312.303	0.444	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)Cc1cc(OC)ns1	ZINC000893220920	659109333	/nfs/dbraw/zinc/10/93/33/659109333.db2.gz	VOZDCUPFHCNUFW-UHFFFAOYSA-N	-1	0	320.417	0.464	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)N(C)CCC(=O)OCC	ZINC000893424348	659129810	/nfs/dbraw/zinc/12/98/10/659129810.db2.gz	WOIRHSRLOBEWLH-UHFFFAOYSA-N	-1	0	318.395	0.426	20	30		DCEDRM
CO[C@@]1(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCSC1	ZINC000892933000	659513180	/nfs/dbraw/zinc/51/31/80/659513180.db2.gz	OIJCLXMUOXIBRP-NSHDSACASA-N	-1	0	306.409	0.504	20	30		DCEDRM
COCc1ncsc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000793189084	662055820	/nfs/dbraw/zinc/05/58/20/662055820.db2.gz	HPDNJGZBJMBSKO-UHFFFAOYSA-N	-1	0	303.365	0.653	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CCCS(=O)(=O)N1CCCC1	ZINC000909514860	662166173	/nfs/dbraw/zinc/16/61/73/662166173.db2.gz	MLFAKMXQIMOIJY-UHFFFAOYSA-N	-1	0	318.395	0.291	20	30		DCEDRM
CCCC(=O)N1CSC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000727485769	662175775	/nfs/dbraw/zinc/17/57/75/662175775.db2.gz	RTUCFLFFFASJTC-SNVBAGLBSA-N	-1	0	318.362	0.793	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC000984587010	662238576	/nfs/dbraw/zinc/23/85/76/662238576.db2.gz	OZXIIZRWNHOVRH-MWLCHTKSSA-N	-1	0	319.365	0.646	20	30		DCEDRM
C#Cc1cncc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c1	ZINC000909564917	662370868	/nfs/dbraw/zinc/37/08/68/662370868.db2.gz	KMZMOROYSZURTQ-XJKSGUPXSA-N	-1	0	300.314	0.626	20	30		DCEDRM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)NCCCCC#N	ZINC000751073873	662381550	/nfs/dbraw/zinc/38/15/50/662381550.db2.gz	AATWTAUSOJVGSL-UHFFFAOYSA-N	-1	0	300.340	0.477	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000798202400	662529064	/nfs/dbraw/zinc/52/90/64/662529064.db2.gz	CBMIJBOIBVHSOG-UHFFFAOYSA-N	-1	0	315.372	0.173	20	30		DCEDRM
C=CCNc1ncc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)s1	ZINC000899031857	663119486	/nfs/dbraw/zinc/11/94/86/663119486.db2.gz	CAOLYEHBIPXYBF-ZETCQYMHSA-N	-1	0	309.351	0.668	20	30		DCEDRM
CC(C)=C(C)CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000899130009	663125035	/nfs/dbraw/zinc/12/50/35/663125035.db2.gz	OWFLZMFGIZOXQN-UHFFFAOYSA-N	-1	0	302.334	0.950	20	30		DCEDRM
C=CCn1cc(CNC(=O)C2(C(=O)[O-])CCSCC2)nn1	ZINC000901683026	663362231	/nfs/dbraw/zinc/36/22/31/663362231.db2.gz	ZMLNQIVQHCBABC-UHFFFAOYSA-N	-1	0	310.379	0.678	20	30		DCEDRM
N#CC[C@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)C(F)(F)F	ZINC000901770923	663367085	/nfs/dbraw/zinc/36/70/85/663367085.db2.gz	DZEIZJNZCHDLRR-QMMMGPOBSA-N	-1	0	324.284	0.788	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000902482800	663416955	/nfs/dbraw/zinc/41/69/55/663416955.db2.gz	CHYVYCNBGHPPMY-CYBMUJFWSA-N	-1	0	303.318	0.306	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000902628290	663423523	/nfs/dbraw/zinc/42/35/23/663423523.db2.gz	RLNZGOSRHJOSQB-CQSZACIVSA-N	-1	0	316.361	0.959	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	ZINC000903060039	663445953	/nfs/dbraw/zinc/44/59/53/663445953.db2.gz	ZCUOKQWDEYAHOP-LBPRGKRZSA-N	-1	0	320.411	0.741	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC000906935693	663652632	/nfs/dbraw/zinc/65/26/32/663652632.db2.gz	UHJHJEZZGUZWQS-OLZOCXBDSA-N	-1	0	309.343	0.844	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccnn1CC(F)F)C(=O)[O-]	ZINC000909765662	663799912	/nfs/dbraw/zinc/79/99/12/663799912.db2.gz	CSFXGOYCFMZYGZ-QMMMGPOBSA-N	-1	0	303.265	0.534	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cn2c(n1)C[C@H](C)CC2)C(=O)[O-]	ZINC000909769486	663800545	/nfs/dbraw/zinc/80/05/45/663800545.db2.gz	ZDWFEYHOYOVASJ-ZYHUDNBSSA-N	-1	0	307.350	0.851	20	30		DCEDRM
C#CC[C@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)[O-]	ZINC000910050977	663836816	/nfs/dbraw/zinc/83/68/16/663836816.db2.gz	CFAGYOJXKPSZKX-NSHDSACASA-N	-1	0	316.313	0.395	20	30		DCEDRM
C#CC[C@H](NC(=O)CN1C(=O)CSc2ccccc21)C(=O)[O-]	ZINC000910052057	663837338	/nfs/dbraw/zinc/83/73/38/663837338.db2.gz	MORCZIKMCBHBSO-JTQLQIEISA-N	-1	0	318.354	0.718	20	30		DCEDRM
C#CC[C@@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)[O-]	ZINC000910053053	663837451	/nfs/dbraw/zinc/83/74/51/663837451.db2.gz	NPHQISGBMJXHOV-GFCCVEGCSA-N	-1	0	306.293	0.077	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CSCN1C(=O)CCCC)C(=O)[O-]	ZINC000910054900	663837894	/nfs/dbraw/zinc/83/78/94/663837894.db2.gz	ULOGMFFXSAUGQF-MNOVXSKESA-N	-1	0	312.391	0.671	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cn(CCc2ccccc2)nn1)C(=O)[O-]	ZINC000910047988	663840477	/nfs/dbraw/zinc/84/04/77/663840477.db2.gz	BIEAMQYYPJLIRV-ZDUSSCGKSA-N	-1	0	312.329	0.727	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@H]1CCC2(CCOCC2)CO1)C(=O)[O-]	ZINC000910049090	663840571	/nfs/dbraw/zinc/84/05/71/663840571.db2.gz	SELJKNXECRCWOV-OLZOCXBDSA-N	-1	0	309.362	0.945	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](C(CC)CC)N1CCOCC1)C(=O)[O-]	ZINC000910050413	663841054	/nfs/dbraw/zinc/84/10/54/663841054.db2.gz	JUJXAWVSSGMGIN-UONOGXRCSA-N	-1	0	310.394	0.716	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1csc(N2CCOCC2)n1)C(=O)[O-]	ZINC000910050106	663841095	/nfs/dbraw/zinc/84/10/95/663841095.db2.gz	FLSFMIUILIATCA-NSHDSACASA-N	-1	0	323.374	0.115	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N1CC([C@H](F)C(=O)[O-])C1	ZINC000910134771	663846670	/nfs/dbraw/zinc/84/66/70/663846670.db2.gz	HRRFQHIOIKUQLU-AWEZNQCLSA-N	-1	0	322.292	0.827	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1CCO[C@@](C)(C(=O)[O-])C1	ZINC000910325977	663873680	/nfs/dbraw/zinc/87/36/80/663873680.db2.gz	GQDVXRDCQNFRFK-OAHLLOKOSA-N	-1	0	306.318	0.962	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N1CCN(c2ccc(C(=O)[O-])cn2)CC1	ZINC000911170726	664000673	/nfs/dbraw/zinc/00/06/73/664000673.db2.gz	YMZITJVIXQHDJH-LBPRGKRZSA-N	-1	0	317.345	0.467	20	30		DCEDRM
C#C[C@@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)[C@@H]1CCCO1	ZINC000911578460	664085622	/nfs/dbraw/zinc/08/56/22/664085622.db2.gz	JNGRGLWJMSRTPE-YPMHNXCESA-N	-1	0	305.334	0.659	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CO)NC(=O)OCc1ccccc1	ZINC000911902786	664122899	/nfs/dbraw/zinc/12/28/99/664122899.db2.gz	GKEUTPZAASZBMM-WCQYABFASA-N	-1	0	308.334	0.896	20	30		DCEDRM
Cn1cc(CC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)cn1	ZINC000171339007	664607562	/nfs/dbraw/zinc/60/75/62/664607562.db2.gz	LAUJCSLGKFSLBW-UHFFFAOYSA-N	-1	0	318.358	0.480	20	30		DCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000113698976	664798919	/nfs/dbraw/zinc/79/89/19/664798919.db2.gz	OCVCMCPYCJDHAV-NSHDSACASA-N	-1	0	310.375	0.972	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CC(=O)N(C)C2)n1	ZINC000914920699	664839865	/nfs/dbraw/zinc/83/98/65/664839865.db2.gz	CQHMMWSJGIKXJH-ZJUUUORDSA-N	-1	0	321.358	0.649	20	30		DCEDRM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cnn(CC#N)c1	ZINC000732045118	664898935	/nfs/dbraw/zinc/89/89/35/664898935.db2.gz	ABIDQIGLYSLUNO-UHFFFAOYSA-N	-1	0	324.322	0.026	20	30		DCEDRM
O=C([O-])COc1ccc(C=NN[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000916239861	665064165	/nfs/dbraw/zinc/06/41/65/665064165.db2.gz	OVTALOGSLCNVLG-LLVKDONJSA-N	-1	0	312.347	0.261	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)c1	ZINC000916809421	665093779	/nfs/dbraw/zinc/09/37/79/665093779.db2.gz	RMQHICHUEWEMDM-UHFFFAOYSA-N	-1	0	320.286	0.913	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001033433317	666709368	/nfs/dbraw/zinc/70/93/68/666709368.db2.gz	UILFHYRGWZQDMG-UTUOFQBUSA-N	-1	0	321.381	0.134	20	30		DCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000733716679	666803770	/nfs/dbraw/zinc/80/37/70/666803770.db2.gz	FIXNKFDSGLRDNQ-JTQLQIEISA-N	-1	0	312.347	0.418	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc1	ZINC000733724086	666808794	/nfs/dbraw/zinc/80/87/94/666808794.db2.gz	ZHRWYTAVNKAYGA-GFCCVEGCSA-N	-1	0	310.331	0.172	20	30		DCEDRM
C=CC[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccncc1	ZINC000734458199	666879280	/nfs/dbraw/zinc/87/92/80/666879280.db2.gz	WKERSJQYYUQXTD-CYBMUJFWSA-N	-1	0	324.344	0.900	20	30		DCEDRM
C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001033981173	666885256	/nfs/dbraw/zinc/88/52/56/666885256.db2.gz	DORJFFQQZRZDSI-GFCCVEGCSA-N	-1	0	313.361	0.192	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)COC2CCOCC2)cc1	ZINC000735395724	666984697	/nfs/dbraw/zinc/98/46/97/666984697.db2.gz	APDKNNLMOPIYFX-UHFFFAOYSA-N	-1	0	324.358	0.559	20	30		DCEDRM
CC[C@@H](C)NC(=S)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863210249	667117445	/nfs/dbraw/zinc/11/74/45/667117445.db2.gz	XASMVROHOFINKC-MRVPVSSYSA-N	-1	0	307.379	0.350	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000863409215	667140816	/nfs/dbraw/zinc/14/08/16/667140816.db2.gz	XRWPBOOJUIPOMT-NSHDSACASA-N	-1	0	314.294	0.408	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CSCN1C(C)=O)C(=O)[O-]	ZINC000864184355	667222923	/nfs/dbraw/zinc/22/29/23/667222923.db2.gz	QAIVOLWLHCYBEG-DTWKUNHWSA-N	-1	0	306.771	0.620	20	30		DCEDRM
CC(C)C[C@@H](C(=O)[O-])N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC000923271072	667489692	/nfs/dbraw/zinc/48/96/92/667489692.db2.gz	KCGYOBCHZQEHLZ-NTZNESFSSA-N	-1	0	300.380	0.356	20	30		DCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cc(N2CCCCC2)ncn1	ZINC000868561949	667581274	/nfs/dbraw/zinc/58/12/74/667581274.db2.gz	AQWFPFJWDOJZAJ-LLVKDONJSA-N	-1	0	319.365	0.577	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1	ZINC000738072527	667653283	/nfs/dbraw/zinc/65/32/83/667653283.db2.gz	CTRKGDQUMVHBGZ-UHFFFAOYSA-N	-1	0	319.317	0.036	20	30		DCEDRM
Cn1[n-]c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1=O	ZINC000870093374	667710295	/nfs/dbraw/zinc/71/02/95/667710295.db2.gz	GABONINOIBJNSJ-UHFFFAOYSA-N	-1	0	311.345	0.960	20	30		DCEDRM
Cc1nn(C)c(C)c1OCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123003154	667724328	/nfs/dbraw/zinc/72/43/28/667724328.db2.gz	NPYSXEGKVOFACR-NSHDSACASA-N	-1	0	315.333	0.741	20	30		DCEDRM
C[NH+](C)CCN1C[C@H](C(=O)[N-]Oc2cccc(C#N)c2)CC1=O	ZINC000870692425	667752112	/nfs/dbraw/zinc/75/21/12/667752112.db2.gz	DDAWMPPDVCHGRL-CYBMUJFWSA-N	-1	0	316.361	0.378	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCn2c(C)csc2=O)CC1	ZINC000870831058	667765080	/nfs/dbraw/zinc/76/50/80/667765080.db2.gz	OCRDVPWMYNADJT-UHFFFAOYSA-N	-1	0	316.404	0.773	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCc3ncncc3C2)CC1	ZINC000870838903	667765314	/nfs/dbraw/zinc/76/53/14/667765314.db2.gz	QMUIFGQWKLWGFE-JTQLQIEISA-N	-1	0	307.375	0.746	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3nnn(C)c3C2)CC1	ZINC000870838124	667765366	/nfs/dbraw/zinc/76/53/66/667765366.db2.gz	MHYGSNRFTDAMGQ-SECBINFHSA-N	-1	0	310.379	0.085	20	30		DCEDRM
CC(C)CCC(=O)NCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123345477	667765463	/nfs/dbraw/zinc/76/54/63/667765463.db2.gz	KUJDDBBKWSBHBZ-LLVKDONJSA-N	-1	0	304.350	0.864	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cn2ccc(C(F)F)n2)CC1	ZINC000870839623	667765535	/nfs/dbraw/zinc/76/55/35/667765535.db2.gz	PIUAZVGYFGHJTH-UHFFFAOYSA-N	-1	0	305.306	0.985	20	30		DCEDRM
C#CCN(CC)S(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1	ZINC000871829899	667854031	/nfs/dbraw/zinc/85/40/31/667854031.db2.gz	UVBWSIWDUCLEBO-UHFFFAOYSA-N	-1	0	311.359	0.966	20	30		DCEDRM
Cc1nnc(NN=Cc2cnc(N3CCOCC3)s2)[n-]c1=O	ZINC000755524860	668061903	/nfs/dbraw/zinc/06/19/03/668061903.db2.gz	PAVJZLNVAKBBLZ-UHFFFAOYSA-N	-1	0	321.366	0.625	20	30		DCEDRM
NC(=O)c1ccc(N=NCc2ccc([N+](=O)[O-])c([O-])c2)nn1	ZINC000756837976	668103098	/nfs/dbraw/zinc/10/30/98/668103098.db2.gz	GGKWZHIMZAPBOM-UHFFFAOYSA-N	-1	0	302.250	0.635	20	30		DCEDRM
CCC(=NNC(=S)NCC(=O)NC)c1ccc(C(=O)[O-])cc1	ZINC000760259345	668265089	/nfs/dbraw/zinc/26/50/89/668265089.db2.gz	URIIRLZIEZKXMB-UHFFFAOYSA-N	-1	0	322.390	0.709	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1cnn(-c2ccccc2)n1	ZINC000762069435	668345526	/nfs/dbraw/zinc/34/55/26/668345526.db2.gz	UZQKERAANMCGLU-UHFFFAOYSA-N	-1	0	300.318	0.909	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000926549327	668412078	/nfs/dbraw/zinc/41/20/78/668412078.db2.gz	JZDPBNMIQPSWEY-LBPRGKRZSA-N	-1	0	309.343	0.336	20	30		DCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000764196993	668438247	/nfs/dbraw/zinc/43/82/47/668438247.db2.gz	XXPRGCVVPXKEOZ-JTQLQIEISA-N	-1	0	312.347	0.418	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@]23CCOC3)cc1	ZINC000764754127	668461206	/nfs/dbraw/zinc/46/12/06/668461206.db2.gz	QFRZUAXHMBTJKQ-HIFRSBDPSA-N	-1	0	320.370	0.931	20	30		DCEDRM
COCc1cncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1	ZINC000765613185	668502583	/nfs/dbraw/zinc/50/25/83/668502583.db2.gz	LRERAKVFOPLTIO-UHFFFAOYSA-N	-1	0	311.363	0.837	20	30		DCEDRM
COC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)CC1	ZINC000766838540	668548056	/nfs/dbraw/zinc/54/80/56/668548056.db2.gz	JRARHPWRFOQNMM-UHFFFAOYSA-N	-1	0	322.342	0.457	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)NCCO[C@H]1CCOC1)C(=O)[O-]	ZINC000929016728	668644888	/nfs/dbraw/zinc/64/48/88/668644888.db2.gz	HQMOSJNAFFPUQI-UWVGGRQHSA-N	-1	0	306.746	0.687	20	30		DCEDRM
O=C([O-])COc1ccc(C=NN2CN=NC2=O)cc1[N+](=O)[O-]	ZINC000770614460	668702758	/nfs/dbraw/zinc/70/27/58/668702758.db2.gz	AVOOINIXECKABL-UHFFFAOYSA-N	-1	0	307.222	0.238	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CN1Cc2ccccc2C1=O	ZINC000770875503	668721415	/nfs/dbraw/zinc/72/14/15/668721415.db2.gz	AWPJOKRTRSGFDK-CYBMUJFWSA-N	-1	0	322.324	0.968	20	30		DCEDRM
Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771077398	668729961	/nfs/dbraw/zinc/72/99/61/668729961.db2.gz	FCOMKGIWRXSWCQ-UHFFFAOYSA-N	-1	0	310.379	0.790	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc2c1O[C@H](C)C(=O)N2	ZINC000772718031	668782165	/nfs/dbraw/zinc/78/21/65/668782165.db2.gz	LOPLTJHVOSVKKU-MRVPVSSYSA-N	-1	0	310.331	0.652	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc2c1O[C@@H](C)C(=O)N2	ZINC000772718034	668782218	/nfs/dbraw/zinc/78/22/18/668782218.db2.gz	LOPLTJHVOSVKKU-QMMMGPOBSA-N	-1	0	310.331	0.652	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)cn1	ZINC000774042180	668820687	/nfs/dbraw/zinc/82/06/87/668820687.db2.gz	DKPKXXWQKGYBRK-LBPRGKRZSA-N	-1	0	305.334	0.954	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CN1Cc2ccccc2C1=O	ZINC000776115605	668870978	/nfs/dbraw/zinc/87/09/78/668870978.db2.gz	NNOXAGWNNONIPE-UHFFFAOYSA-N	-1	0	321.358	0.392	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccco1	ZINC000776116347	668871034	/nfs/dbraw/zinc/87/10/34/668871034.db2.gz	OUQPUHNAOOYHLT-UHFFFAOYSA-N	-1	0	313.335	0.149	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCOC1CCOCC1	ZINC000776147133	668871828	/nfs/dbraw/zinc/87/18/28/668871828.db2.gz	WTWLYHJQFUWTGS-UHFFFAOYSA-N	-1	0	318.395	0.568	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000776566489	668878070	/nfs/dbraw/zinc/87/80/70/668878070.db2.gz	WHIMCWVTESXKNP-JTQLQIEISA-N	-1	0	303.351	0.340	20	30		DCEDRM
CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000777319094	668886233	/nfs/dbraw/zinc/88/62/33/668886233.db2.gz	ZCTMFBOBWRKVKA-CYBMUJFWSA-N	-1	0	307.375	0.993	20	30		DCEDRM
Cn1cnc2cc(C(=O)[N-]S(=O)(=O)CCCC#N)ccc21	ZINC000777341404	668886431	/nfs/dbraw/zinc/88/64/31/668886431.db2.gz	CTNUIRPFYYBTRK-UHFFFAOYSA-N	-1	0	306.347	0.937	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C(C)C)N1C[C@H](C)O[C@@H](C)C1	ZINC000778691873	668902701	/nfs/dbraw/zinc/90/27/01/668902701.db2.gz	GINXJNYQZKUQGW-AVGNSLFASA-N	-1	0	318.439	0.752	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1	ZINC000781725813	669057843	/nfs/dbraw/zinc/05/78/43/669057843.db2.gz	CZWPTSZTGJICDH-UHFFFAOYSA-N	-1	0	313.379	0.691	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CN(C)C(=O)c2ccccc21	ZINC000786472154	669314240	/nfs/dbraw/zinc/31/42/40/669314240.db2.gz	BPEIIYAQWQERGA-LBPRGKRZSA-N	-1	0	308.359	0.488	20	30		DCEDRM
C#CC1(F)CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1	ZINC000881946755	669423972	/nfs/dbraw/zinc/42/39/72/669423972.db2.gz	VVOWZEDADZJBEQ-UHFFFAOYSA-N	-1	0	317.345	0.869	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F)C(=O)OC	ZINC000882253634	669487381	/nfs/dbraw/zinc/48/73/81/669487381.db2.gz	YNERTVIZSGXWQB-RKDXNWHRSA-N	-1	0	309.334	0.762	20	30		DCEDRM
N#CCSc1ccccc1C(=O)NCCc1nc(=O)o[n-]1	ZINC000790076136	669536441	/nfs/dbraw/zinc/53/64/41/669536441.db2.gz	CEVHSGPHFQGHJW-UHFFFAOYSA-N	-1	0	304.331	0.951	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]1CCCCO1	ZINC000791109592	669594076	/nfs/dbraw/zinc/59/40/76/669594076.db2.gz	SIPRKFSKKTUFPL-NEPJUHHUSA-N	-1	0	303.380	0.430	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cn3ccnc3s2)CC1	ZINC000793204173	669707492	/nfs/dbraw/zinc/70/74/92/669707492.db2.gz	JNLJVRRFQGWPGC-UHFFFAOYSA-N	-1	0	310.360	0.759	20	30		DCEDRM
Cn1cnc2cc(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)ccc21	ZINC000793204206	669707502	/nfs/dbraw/zinc/70/75/02/669707502.db2.gz	KCAJWMMECNTHOG-UHFFFAOYSA-N	-1	0	318.358	0.937	20	30		DCEDRM
Cn1nc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1C1CC1	ZINC000793205479	669707563	/nfs/dbraw/zinc/70/75/63/669707563.db2.gz	PAVAKNXPUJXWQO-UHFFFAOYSA-N	-1	0	308.363	0.661	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1	ZINC000794769342	669863373	/nfs/dbraw/zinc/86/33/73/669863373.db2.gz	ONBVEDQBRSLBAZ-MRVPVSSYSA-N	-1	0	311.310	0.118	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)CC2OCCO2)cc1	ZINC000796728242	669940899	/nfs/dbraw/zinc/94/08/99/669940899.db2.gz	MHGJJNSHJYNROD-UHFFFAOYSA-N	-1	0	310.331	0.267	20	30		DCEDRM
COCc1ncc(C(=O)[N-]S(=O)(=O)CCCC#N)s1	ZINC000797227931	669959743	/nfs/dbraw/zinc/95/97/43/669959743.db2.gz	OSBWJRGIQQWUDC-UHFFFAOYSA-N	-1	0	303.365	0.653	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)NC)cc1	ZINC000797327529	669965732	/nfs/dbraw/zinc/96/57/32/669965732.db2.gz	DXUJYSRUOOVGGG-UHFFFAOYSA-N	-1	0	310.375	0.958	20	30		DCEDRM
N#Cc1ccccc1C=CC(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC000798269447	669995378	/nfs/dbraw/zinc/99/53/78/669995378.db2.gz	BSIWPMPLWRDDQM-WAYWQWQTSA-N	-1	0	324.344	0.595	20	30		DCEDRM
CS(=O)(=O)CCNN=Cc1cn(CC(=O)[O-])c2ccccc12	ZINC000799880511	670075457	/nfs/dbraw/zinc/07/54/57/670075457.db2.gz	QSGUNKAFANDCJS-UHFFFAOYSA-N	-1	0	323.374	0.694	20	30		DCEDRM
COCCOc1cncc(C([O-])=C(C#N)C(=O)NC(C)C)c1	ZINC000802042761	670148902	/nfs/dbraw/zinc/14/89/02/670148902.db2.gz	WRLKLEWJUGHXDA-CYBMUJFWSA-N	-1	0	305.334	0.954	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C[C@H]1CCCC(=O)N1	ZINC000808996821	670434718	/nfs/dbraw/zinc/43/47/18/670434718.db2.gz	KHFSBGBLESTWJZ-SECBINFHSA-N	-1	0	301.368	0.041	20	30		DCEDRM
COc1ccc(C[N-]S(=O)(=O)c2c(C)onc2N)cc1C#N	ZINC000809827331	670462787	/nfs/dbraw/zinc/46/27/87/670462787.db2.gz	LAILSIPCYIEGNM-UHFFFAOYSA-N	-1	0	322.346	0.924	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000810663728	670492829	/nfs/dbraw/zinc/49/28/29/670492829.db2.gz	DTLZHAHALYBKQW-CQSZACIVSA-N	-1	0	307.371	0.835	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1nc(C(C)(C)C)no1	ZINC000810772392	670496517	/nfs/dbraw/zinc/49/65/17/670496517.db2.gz	ZHPROWACUPUTSU-UHFFFAOYSA-N	-1	0	313.379	0.769	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CSCC(=O)OC(C)(C)C	ZINC000810774306	670496915	/nfs/dbraw/zinc/49/69/15/670496915.db2.gz	GZHDYDHAOMTTLK-UHFFFAOYSA-N	-1	0	321.420	0.531	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)nc2cc(C)nn21	ZINC000810775576	670497208	/nfs/dbraw/zinc/49/72/08/670497208.db2.gz	LDIDGWMBXPNRLR-UHFFFAOYSA-N	-1	0	306.347	0.429	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(CC(=O)OC)c1	ZINC000810776220	670497297	/nfs/dbraw/zinc/49/72/97/670497297.db2.gz	KNOXXURERRPNPQ-UHFFFAOYSA-N	-1	0	309.343	0.485	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H]1Oc2ccccc2NC1=O	ZINC000810778191	670497560	/nfs/dbraw/zinc/49/75/60/670497560.db2.gz	XXCDQGUEKCYNGR-GFCCVEGCSA-N	-1	0	322.342	0.246	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H]1C(=O)Nc2ccccc21	ZINC000810782268	670497706	/nfs/dbraw/zinc/49/77/06/670497706.db2.gz	KHDSJJFUFVPRLJ-LLVKDONJSA-N	-1	0	306.343	0.582	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)NC(C)C)cc1	ZINC000810780741	670497731	/nfs/dbraw/zinc/49/77/31/670497731.db2.gz	PGEQKZXZEOYWPL-UHFFFAOYSA-N	-1	0	322.386	0.908	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)(C)C	ZINC000810783277	670497976	/nfs/dbraw/zinc/49/79/76/670497976.db2.gz	LEBGYMFOEHZTSV-LLVKDONJSA-N	-1	0	314.407	0.493	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C(F)(F)F)nn1C	ZINC000853974125	670510212	/nfs/dbraw/zinc/51/02/12/670510212.db2.gz	RCQAOFOHNRRDNU-ZCFIWIBFSA-N	-1	0	306.244	1.000	20	30		DCEDRM
COCC1(S(=O)(=O)[N-]C(=O)c2cccc(CC#N)c2)CC1	ZINC000811153067	670510898	/nfs/dbraw/zinc/51/08/98/670510898.db2.gz	FCJAXIARISFKJC-UHFFFAOYSA-N	-1	0	308.359	0.991	20	30		DCEDRM
C#C[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000811183914	670515321	/nfs/dbraw/zinc/51/53/21/670515321.db2.gz	ARVJXSMBQZITGD-MRVPVSSYSA-N	-1	0	302.302	0.381	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000847174915	670523365	/nfs/dbraw/zinc/52/33/65/670523365.db2.gz	WLTMGEQUVJWVES-GFCCVEGCSA-N	-1	0	301.302	0.534	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)[N-]O[C@@H]2CCCCO2)ncc1C#N	ZINC000847512664	670566840	/nfs/dbraw/zinc/56/68/40/670566840.db2.gz	WHJMIIWAJAJKGV-GFCCVEGCSA-N	-1	0	304.306	0.775	20	30		DCEDRM
Cn1cnc(S(=O)(=O)[N-]C(=O)CCCCC#N)c1Cl	ZINC000847636646	670584750	/nfs/dbraw/zinc/58/47/50/670584750.db2.gz	ZAXXWVHJMUTDBY-UHFFFAOYSA-N	-1	0	304.759	0.962	20	30		DCEDRM
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1ccsc1	ZINC000112495382	670607797	/nfs/dbraw/zinc/60/77/97/670607797.db2.gz	ACGGXOCSWFBSHL-SNVBAGLBSA-N	-1	0	312.372	0.328	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000847893323	670610138	/nfs/dbraw/zinc/61/01/38/670610138.db2.gz	RHVVQDLNKHGMJR-UHFFFAOYSA-N	-1	0	311.319	0.988	20	30		DCEDRM
O=C(CSc1n[n-]c(=S)s1)N[C@@H]1CCCN(O)C1=O	ZINC000848136962	670641508	/nfs/dbraw/zinc/64/15/08/670641508.db2.gz	VEOMDAYJWDRDPE-RXMQYKEDSA-N	-1	0	320.421	0.415	20	30		DCEDRM
CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)O1	ZINC000813980652	670667563	/nfs/dbraw/zinc/66/75/63/670667563.db2.gz	FLRFDOZHWHMTRV-PWSUYJOCSA-N	-1	0	309.347	0.716	20	30		DCEDRM
CCCc1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)[nH]n1	ZINC000813980058	670667634	/nfs/dbraw/zinc/66/76/34/670667634.db2.gz	OVSOPWZBVOPFNM-UHFFFAOYSA-N	-1	0	319.346	0.748	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)n(C)n1	ZINC000813981381	670667772	/nfs/dbraw/zinc/66/77/72/670667772.db2.gz	NOZCNEHECFRSIT-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000813989316	670669743	/nfs/dbraw/zinc/66/97/43/670669743.db2.gz	AZXVLPNFUHFFAT-ZDUSSCGKSA-N	-1	0	315.395	0.762	20	30		DCEDRM
CN(C)C(=O)COc1ccccc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814232220	670681933	/nfs/dbraw/zinc/68/19/33/670681933.db2.gz	NUYZTWZSJCSLQU-UHFFFAOYSA-N	-1	0	305.294	0.039	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cn2ccc(Br)cc2n1	ZINC000814232694	670682071	/nfs/dbraw/zinc/68/20/71/670682071.db2.gz	ILKHIIXOXGSHAM-UHFFFAOYSA-N	-1	0	323.110	0.982	20	30		DCEDRM
COc1ccc(C(C)=Nn2c(=O)[n-][nH]c2=O)cc1NC(C)=O	ZINC000814231303	670682200	/nfs/dbraw/zinc/68/22/00/670682200.db2.gz	CBVOPMWWPUAHRB-UHFFFAOYSA-N	-1	0	305.294	0.929	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cnc2cnc(Br)cn12	ZINC000814232235	670682249	/nfs/dbraw/zinc/68/22/49/670682249.db2.gz	YWSJDVLXRYBZDE-UHFFFAOYSA-N	-1	0	324.098	0.377	20	30		DCEDRM
C=CCCSCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000855383768	670703240	/nfs/dbraw/zinc/70/32/40/670703240.db2.gz	JUMVCDPUUAZJCR-UHFFFAOYSA-N	-1	0	307.379	0.497	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)NCc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC000848608103	670704144	/nfs/dbraw/zinc/70/41/44/670704144.db2.gz	QGVWSOLWIONJRE-JTQLQIEISA-N	-1	0	319.317	0.042	20	30		DCEDRM
O=C([O-])CNN=C1C(=O)Nc2cc(OC(F)(F)F)ccc21	ZINC000814959105	670710095	/nfs/dbraw/zinc/71/00/95/670710095.db2.gz	NAOQIGHEZJHTKI-UHFFFAOYSA-N	-1	0	303.196	0.916	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(OC)cc(OC)c1	ZINC000849219009	670765868	/nfs/dbraw/zinc/76/58/68/670765868.db2.gz	FMRRMRWKPVCHAW-UHFFFAOYSA-N	-1	0	313.331	0.412	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(F)cc(C)cc1F	ZINC000849218701	670766046	/nfs/dbraw/zinc/76/60/46/670766046.db2.gz	GLGXWFIIKMWCAE-UHFFFAOYSA-N	-1	0	303.286	0.982	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)OC)s1	ZINC000849219953	670766449	/nfs/dbraw/zinc/76/64/49/670766449.db2.gz	BDOHJZPPDRXLBR-UHFFFAOYSA-N	-1	0	317.344	0.243	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)c1	ZINC000815898820	670770764	/nfs/dbraw/zinc/77/07/64/670770764.db2.gz	VAHIUGXCHMDPAR-UHFFFAOYSA-N	-1	0	321.358	0.376	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OCC)cn1	ZINC000815908531	670771444	/nfs/dbraw/zinc/77/14/44/670771444.db2.gz	DKKVNCNOZZVPST-NSHDSACASA-N	-1	0	301.302	0.883	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000815932798	670773069	/nfs/dbraw/zinc/77/30/69/670773069.db2.gz	QYQFGTOSQZZYRO-LBPRGKRZSA-N	-1	0	323.374	0.890	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC	ZINC000816023841	670780374	/nfs/dbraw/zinc/78/03/74/670780374.db2.gz	KTPMPPRMMFFXIT-HTQZYQBOSA-N	-1	0	313.322	0.841	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OCC)cn1	ZINC000816056105	670784116	/nfs/dbraw/zinc/78/41/16/670784116.db2.gz	DTWNJNOITUGRMU-UHFFFAOYSA-N	-1	0	310.331	0.341	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000817883780	670950495	/nfs/dbraw/zinc/95/04/95/670950495.db2.gz	QEGGJYWIIFSYIC-CYBMUJFWSA-N	-1	0	318.329	0.863	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C1CCC1	ZINC000850961232	670957830	/nfs/dbraw/zinc/95/78/30/670957830.db2.gz	YIGAOJQTYNBSMY-LLVKDONJSA-N	-1	0	300.380	0.941	20	30		DCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)[C@@H]1CCCO1	ZINC000851040378	670963548	/nfs/dbraw/zinc/96/35/48/670963548.db2.gz	IXJLTRAJOJRSMV-GWCFXTLKSA-N	-1	0	323.374	0.963	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C	ZINC000851175621	670972737	/nfs/dbraw/zinc/97/27/37/670972737.db2.gz	JCOXXZHZGGFFLG-QMMMGPOBSA-N	-1	0	307.335	0.323	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851360181	670980465	/nfs/dbraw/zinc/98/04/65/670980465.db2.gz	ABWGWNVLMQUPSV-UHFFFAOYSA-N	-1	0	306.290	0.971	20	30		DCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851502987	670994496	/nfs/dbraw/zinc/99/44/96/670994496.db2.gz	MMQIHKRUEWNFSH-UHFFFAOYSA-N	-1	0	305.396	0.678	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1	ZINC000851511333	670995787	/nfs/dbraw/zinc/99/57/87/670995787.db2.gz	SEMNVSDLHWWCCB-UHFFFAOYSA-N	-1	0	313.331	0.983	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])c1	ZINC000818657271	671042124	/nfs/dbraw/zinc/04/21/24/671042124.db2.gz	BHBCHVPZXAYSCP-UHFFFAOYSA-N	-1	0	316.357	0.901	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCc1nnn[n-]1	ZINC000819272591	671107495	/nfs/dbraw/zinc/10/74/95/671107495.db2.gz	ZSGHZUKZCXJTKT-SECBINFHSA-N	-1	0	323.357	0.403	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819954861	671149551	/nfs/dbraw/zinc/14/95/51/671149551.db2.gz	CDHTVYLLYJIVJB-IUODEOHRSA-N	-1	0	306.366	0.683	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000820060106	671160621	/nfs/dbraw/zinc/16/06/21/671160621.db2.gz	UKBDGDKDYKZORM-SNVBAGLBSA-N	-1	0	317.370	0.336	20	30		DCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1ccc(Br)nc1	ZINC000820147984	671171781	/nfs/dbraw/zinc/17/17/81/671171781.db2.gz	BRUZXNPYTKQHHT-ZETCQYMHSA-N	-1	0	300.112	0.564	20	30		DCEDRM
CCO[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C1CC1	ZINC000860669914	671228447	/nfs/dbraw/zinc/22/84/47/671228447.db2.gz	MVRPWHQMWBSRCM-LLVKDONJSA-N	-1	0	300.380	0.941	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC2CC1(C=Nn1c(=O)[n-][nH]c1=O)C2	ZINC000853348923	671228626	/nfs/dbraw/zinc/22/86/26/671228626.db2.gz	NCTUVOMGOPEXDD-UHFFFAOYSA-N	-1	0	309.326	0.923	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cn1cc(C)c(C(F)(F)F)n1	ZINC000860721119	671232672	/nfs/dbraw/zinc/23/26/72/671232672.db2.gz	ZDASLEDFGQYNOY-UHFFFAOYSA-N	-1	0	323.296	0.680	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C\c2ccc(F)c(F)c2)c(=O)n(C)c1=O	ZINC000821012598	671246172	/nfs/dbraw/zinc/24/61/72/671246172.db2.gz	KXKXUCWMRLOWAY-XQRVVYSFSA-N	-1	0	322.267	0.964	20	30		DCEDRM
C#C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)[C@H]1CCCO1	ZINC000860943063	671252183	/nfs/dbraw/zinc/25/21/83/671252183.db2.gz	QIXRGHQPKDPUPB-VXGBXAGGSA-N	-1	0	323.374	0.364	20	30		DCEDRM
CCn1nc(C)c(C(=O)[N-]S(=O)(=O)CCC#N)c1Cl	ZINC000821583616	671284478	/nfs/dbraw/zinc/28/44/78/671284478.db2.gz	BMVBTXPJBLBENH-UHFFFAOYSA-N	-1	0	304.759	0.838	20	30		DCEDRM
C=CCn1cc(CNC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)nn1	ZINC000823212245	671378128	/nfs/dbraw/zinc/37/81/28/671378128.db2.gz	NNJAGBFKKFPACN-UHFFFAOYSA-N	-1	0	318.381	0.469	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC000824021130	671416402	/nfs/dbraw/zinc/41/64/02/671416402.db2.gz	ITARQQLUSWJPAZ-LBPRGKRZSA-N	-1	0	310.361	0.950	20	30		DCEDRM
C[C@@H]1CCCCN1C(=O)Cn1cnc(C#N)c1-c1nn[nH]n1	ZINC000824939940	671444634	/nfs/dbraw/zinc/44/46/34/671444634.db2.gz	YHVWOBCJEJLBMS-SECBINFHSA-N	-1	0	300.326	0.336	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CCN1C1CC1	ZINC000827384299	671525994	/nfs/dbraw/zinc/52/59/94/671525994.db2.gz	PUZBRRSEUWIUJV-SNVBAGLBSA-N	-1	0	313.317	0.741	20	30		DCEDRM
N#Cc1c(Br)cccc1OCC(=O)[N-]OCCO	ZINC000829763084	671588228	/nfs/dbraw/zinc/58/82/28/671588228.db2.gz	CLFFROGMSHXLFT-UHFFFAOYSA-N	-1	0	315.123	0.740	20	30		DCEDRM
C=C1CCC(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC000831002212	671649782	/nfs/dbraw/zinc/64/97/82/671649782.db2.gz	SJRUEZBBPCITCK-UHFFFAOYSA-N	-1	0	301.350	0.934	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000831033658	671651052	/nfs/dbraw/zinc/65/10/52/671651052.db2.gz	DYRJKUMFKQJGCM-ZJUUUORDSA-N	-1	0	304.368	0.140	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)CCC(C)(C)OC	ZINC000835357771	671794436	/nfs/dbraw/zinc/79/44/36/671794436.db2.gz	VNTNMIJHGNVFEU-MNOVXSKESA-N	-1	0	305.396	0.839	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)n1cnc(C#N)n1	ZINC000835740484	671804581	/nfs/dbraw/zinc/80/45/81/671804581.db2.gz	LZEJLUCFAJVSKM-CHWFTXMASA-N	-1	0	323.378	0.345	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000840991788	671908597	/nfs/dbraw/zinc/90/85/97/671908597.db2.gz	ZFHSPLSZRVXKSF-AWEZNQCLSA-N	-1	0	318.329	0.694	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NC1(C(=O)[O-])CCCCC1	ZINC000841776829	671953979	/nfs/dbraw/zinc/95/39/79/671953979.db2.gz	QMHNBGSNBLCAIB-UHFFFAOYSA-N	-1	0	303.384	0.844	20	30		DCEDRM
C[C@@H](CO)N(C)N=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000842541485	672017230	/nfs/dbraw/zinc/01/72/30/672017230.db2.gz	SHZRQHXRHOSHTI-VIFPVBQESA-N	-1	0	311.294	0.705	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)C2)cc1	ZINC000842676329	672027549	/nfs/dbraw/zinc/02/75/49/672027549.db2.gz	WSJRQSSQSAEMES-LBPRGKRZSA-N	-1	0	306.343	0.873	20	30		DCEDRM
C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)C[C@@H]1C(=O)[O-]	ZINC000843037934	672055494	/nfs/dbraw/zinc/05/54/94/672055494.db2.gz	ZFLPNKZSOUHDJL-SKDRFNHKSA-N	-1	0	323.374	0.753	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000844790995	672202593	/nfs/dbraw/zinc/20/25/93/672202593.db2.gz	DKHCBWOTYKJJNN-QMMMGPOBSA-N	-1	0	316.360	0.484	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)cc1F	ZINC000846003793	672288285	/nfs/dbraw/zinc/28/82/85/672288285.db2.gz	ONKFJUOMXNLMIU-UHFFFAOYSA-N	-1	0	301.299	0.043	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2	ZINC000846149266	672297399	/nfs/dbraw/zinc/29/73/99/672297399.db2.gz	JJVYSOCOLADFQH-UHFFFAOYSA-N	-1	0	319.317	0.604	20	30		DCEDRM
C=CCc1ccc(OCC(=O)NCC(=O)[N-]OCC)c(OC)c1	ZINC000846497861	672319647	/nfs/dbraw/zinc/31/96/47/672319647.db2.gz	QACKPOGMEIPJKF-UHFFFAOYSA-N	-1	0	322.361	0.986	20	30		DCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CCC(=O)NC1	ZINC000798813490	685346762	/nfs/dbraw/zinc/34/67/62/685346762.db2.gz	VTYZKLHMASSECY-AWEZNQCLSA-N	-1	0	321.358	0.279	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC	ZINC000841540513	685365275	/nfs/dbraw/zinc/36/52/75/685365275.db2.gz	MBOJSTYPHJXNKX-LBPRGKRZSA-N	-1	0	312.391	0.945	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CS[C@@H]1CCS(=O)(=O)C1	ZINC000092462779	685108559	/nfs/dbraw/zinc/10/85/59/685108559.db2.gz	VXPQDTLPYIBKKJ-SECBINFHSA-N	-1	0	307.393	0.006	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(S(=O)(=O)C(F)F)cc1	ZINC000133263118	685120124	/nfs/dbraw/zinc/12/01/24/685120124.db2.gz	ZKTWXWKCSONWGE-VIFPVBQESA-N	-1	0	316.285	0.751	20	30		DCEDRM
C=C(Cl)CN1C[C@@H](O)[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000957974706	687283578	/nfs/dbraw/zinc/28/35/78/687283578.db2.gz	HURFUCFUTPBTPH-VHSXEESVSA-N	-1	0	314.773	0.199	20	30		DCEDRM
CC#CCN1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001015986133	692534671	/nfs/dbraw/zinc/53/46/71/692534671.db2.gz	ARVDASYDSFECNN-JTQLQIEISA-N	-1	0	300.318	0.756	20	30		DCEDRM
C=CCN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21	ZINC001074218694	694842798	/nfs/dbraw/zinc/84/27/98/694842798.db2.gz	CWOBFWBXWKLIKV-VXGBXAGGSA-N	-1	0	306.366	0.525	20	30		DCEDRM
C#CCCCC(=O)NCC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001076307511	695012741	/nfs/dbraw/zinc/01/27/41/695012741.db2.gz	NNXTVWYYGDOTFU-JTQLQIEISA-N	-1	0	306.366	0.852	20	30		DCEDRM
C#CCCCCCC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001670676523	1157482004	/nfs/dbraw/zinc/48/20/04/1157482004.db2.gz	FVXCGYNYSNTQEW-LBPRGKRZSA-N	-1	0	305.382	0.785	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC(NC(=O)C#CC(C)C)CC2)c1[O-]	ZINC001687279208	1157534596	/nfs/dbraw/zinc/53/45/96/1157534596.db2.gz	AVGWUVMDLIZDAZ-UHFFFAOYSA-N	-1	0	318.377	0.804	20	30		DCEDRM
N#Cc1nc(F)ccc1OS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001610633816	1159838643	/nfs/dbraw/zinc/83/86/43/1159838643.db2.gz	ACAJNFCNLBGRJN-UHFFFAOYSA-N	-1	0	311.250	0.886	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001572249541	1163078306	/nfs/dbraw/zinc/07/83/06/1163078306.db2.gz	REIXQOHDKQHXSQ-BJOHPYRUSA-N	-1	0	324.381	0.328	20	30		DCEDRM
CCn1cc(C(=O)[O-])c(NC(=O)N2CC[C@](O)(CC#N)C2)n1	ZINC001573846479	1163566326	/nfs/dbraw/zinc/56/63/26/1163566326.db2.gz	FCRUEUGDTYQMGJ-CYBMUJFWSA-N	-1	0	307.310	0.484	20	30		DCEDRM
Cc1c(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)cnn1CCC#N	ZINC001574113854	1163639712	/nfs/dbraw/zinc/63/97/12/1163639712.db2.gz	PKNXKWWNSZKZDC-HNNXBMFYSA-N	-1	0	320.349	0.716	20	30		DCEDRM
Cc1cc(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)ncc1C#N	ZINC001574128842	1163644704	/nfs/dbraw/zinc/64/47/04/1163644704.db2.gz	ZNIATLGUIIZVSA-HNNXBMFYSA-N	-1	0	303.318	0.873	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)N[C@@H](C)c1nc(C(=O)[O-])n[nH]1	ZINC001574128474	1163644813	/nfs/dbraw/zinc/64/48/13/1163644813.db2.gz	VVWQZZITFPTUGX-ZETCQYMHSA-N	-1	0	300.278	0.569	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)c(F)c1	ZINC001574245289	1163672186	/nfs/dbraw/zinc/67/21/86/1163672186.db2.gz	KKMQUYSMBJAWFV-JOYOIKCWSA-N	-1	0	307.281	0.398	20	30		DCEDRM
N#Cc1ccc(CNC(=O)NCc2cc(C(=O)[O-])no2)nc1	ZINC001574245742	1163673105	/nfs/dbraw/zinc/67/31/05/1163673105.db2.gz	ZXZWDASBQKGTAK-UHFFFAOYSA-N	-1	0	301.262	0.639	20	30		DCEDRM
N#Cc1ccccc1N1CCN(C(=O)[C@@H](O)CC(=O)[O-])CC1	ZINC001574248044	1163673408	/nfs/dbraw/zinc/67/34/08/1163673408.db2.gz	AHZJTTVQNBCEQW-ZDUSSCGKSA-N	-1	0	303.318	0.042	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO	ZINC001574248767	1163673647	/nfs/dbraw/zinc/67/36/47/1163673647.db2.gz	NVPXLVYKUTWMRY-RYUDHWBXSA-N	-1	0	319.317	0.024	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])cn1	ZINC001574249284	1163674569	/nfs/dbraw/zinc/67/45/69/1163674569.db2.gz	GROQDTYHZMMQLQ-XRNSZHNASA-N	-1	0	307.331	0.579	20	30		DCEDRM
CC1(C)CC[C@@H](O)[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001575693605	1164107075	/nfs/dbraw/zinc/10/70/75/1164107075.db2.gz	PONJFLHKLLMHGO-PSASIEDQSA-N	-1	0	314.353	0.880	20	30		DCEDRM
CN(CCc1ccccn1)c1cnc(-c2nn[nH]n2)c(C#N)n1	ZINC001579231724	1165245471	/nfs/dbraw/zinc/24/54/71/1165245471.db2.gz	JQHMCPMELKHZBP-UHFFFAOYSA-N	-1	0	307.321	0.602	20	30		DCEDRM
COC1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCCCC1	ZINC001579596094	1165354611	/nfs/dbraw/zinc/35/46/11/1165354611.db2.gz	NSOPWZLEOAMEJR-UHFFFAOYSA-N	-1	0	316.325	0.749	20	30		DCEDRM
C[C@@]12CSC[C@@H]1CN(c1cnc(-c3nn[nH]n3)c(C#N)n1)C2	ZINC001580391986	1165591973	/nfs/dbraw/zinc/59/19/73/1165591973.db2.gz	VPSHDUQRVRPNHR-ISVAXAHUSA-N	-1	0	314.378	0.718	20	30		DCEDRM
Cn1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c(Cl)n1	ZINC001581764877	1165870597	/nfs/dbraw/zinc/87/05/97/1165870597.db2.gz	QEOICGCSGJIWFG-UHFFFAOYSA-N	-1	0	318.688	0.101	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cccc3[nH]cnc32)[n-]c1-c1nn[nH]n1	ZINC001581860727	1165891195	/nfs/dbraw/zinc/89/11/95/1165891195.db2.gz	QFEJDQWCAVOWEW-UHFFFAOYSA-N	-1	0	320.276	0.590	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H](O)C2CCCCC2)[n-]c1-c1nn[nH]n1	ZINC001581860214	1165891673	/nfs/dbraw/zinc/89/16/73/1165891673.db2.gz	PNCJRJWJTWUZRT-JTQLQIEISA-N	-1	0	316.325	0.341	20	30		DCEDRM
N#CCc1ccsc1C(=O)Nc1c[nH]nc1-c1nnn[n-]1	ZINC001581859816	1165892456	/nfs/dbraw/zinc/89/24/56/1165892456.db2.gz	XBEABNVOHXFAON-UHFFFAOYSA-N	-1	0	300.307	0.970	20	30		DCEDRM
N#Cc1ncc(N2CCc3c(O)cccc3C2)nc1-c1nnn[n-]1	ZINC001581882562	1165901914	/nfs/dbraw/zinc/90/19/14/1165901914.db2.gz	CXUYDVIRUIIUSD-UHFFFAOYSA-N	-1	0	320.316	0.797	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@H]2c2ncccn2)nc1-c1nnn[n-]1	ZINC001581882159	1165902566	/nfs/dbraw/zinc/90/25/66/1165902566.db2.gz	NGOIVNWTIILXIK-JTQLQIEISA-N	-1	0	320.320	0.660	20	30		DCEDRM
N#Cc1ncc(N2CC[C@H](c3cccnc3)C2)nc1-c1nnn[n-]1	ZINC001581882368	1165902985	/nfs/dbraw/zinc/90/29/85/1165902985.db2.gz	VNXIUMOBTKFLJW-NSHDSACASA-N	-1	0	319.332	0.917	20	30		DCEDRM
N#Cc1ncc(NCc2cccc3c2OCO3)nc1-c1nnn[n-]1	ZINC001581884213	1165903501	/nfs/dbraw/zinc/90/35/01/1165903501.db2.gz	PMXOSEWAKFUINC-UHFFFAOYSA-N	-1	0	322.288	0.869	20	30		DCEDRM
N#Cc1ncc(NC[C@H]2CCC[C@H](O)C2)nc1-c1nnn[n-]1	ZINC001581884194	1165903740	/nfs/dbraw/zinc/90/37/40/1165903740.db2.gz	ONPNEMFVMXMMEF-IUCAKERBSA-N	-1	0	300.326	0.491	20	30		DCEDRM
C=C[C@H](CC)CC(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001581976214	1165928119	/nfs/dbraw/zinc/92/81/19/1165928119.db2.gz	CCERZIRCUNKPAU-SNVBAGLBSA-N	-1	0	306.366	0.967	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N[C@@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001582425216	1166017464	/nfs/dbraw/zinc/01/74/64/1166017464.db2.gz	QVYCQQAEQNIJRU-QWRGUYRKSA-N	-1	0	324.381	0.639	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCN1C(=O)CCC1=O	ZINC001584973781	1166391098	/nfs/dbraw/zinc/39/10/98/1166391098.db2.gz	ZLSLHDQXFHWMJL-UHFFFAOYSA-N	-1	0	316.317	0.236	20	30		DCEDRM
C[C@@H]1CC/C(=C/C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001585295756	1166415439	/nfs/dbraw/zinc/41/54/39/1166415439.db2.gz	LLEBNVFHLLEPDR-PAKSIRSJSA-N	-1	0	302.334	0.683	20	30		DCEDRM
C#CCSCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001588364189	1166548740	/nfs/dbraw/zinc/54/87/40/1166548740.db2.gz	YNOXQFAAXDFURQ-UHFFFAOYSA-N	-1	0	313.364	0.104	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(F)c(OC)cc1F)C(=O)[O-]	ZINC001588423505	1166554379	/nfs/dbraw/zinc/55/43/79/1166554379.db2.gz	JHQCRTCTHFECMV-SECBINFHSA-N	-1	0	319.285	0.728	20	30		DCEDRM
C#CCN1CCC[C@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1	ZINC001588477218	1166556619	/nfs/dbraw/zinc/55/66/19/1166556619.db2.gz	WRFUDQUTLZUFAI-JTQLQIEISA-N	-1	0	311.363	0.089	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001588737534	1166582349	/nfs/dbraw/zinc/58/23/49/1166582349.db2.gz	FXQGMSHUXNEBKU-JTQLQIEISA-N	-1	0	318.312	0.902	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)c1ccc(F)c(-c2nn[nH]n2)c1	ZINC001588737750	1166582777	/nfs/dbraw/zinc/58/27/77/1166582777.db2.gz	IFOBGYPQQYQPIJ-JTQLQIEISA-N	-1	0	303.297	0.510	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC001588931476	1166619504	/nfs/dbraw/zinc/61/95/04/1166619504.db2.gz	VZAPDQSWMKWTHZ-ZDUSSCGKSA-N	-1	0	316.313	0.347	20	30		DCEDRM
CC(C)(O)[C@@H]1CCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589328922	1166649489	/nfs/dbraw/zinc/64/94/89/1166649489.db2.gz	XQOWXDWGOKBDKW-VIFPVBQESA-N	-1	0	300.326	0.268	20	30		DCEDRM
C[C@@H](C(=O)O[C@H](Cc1ccccc1)C(=O)[O-])n1cnc(C#N)n1	ZINC001589539629	1166665563	/nfs/dbraw/zinc/66/55/63/1166665563.db2.gz	FAYWVYSXPBANHL-CMPLNLGQSA-N	-1	0	314.301	0.950	20	30		DCEDRM
C[C@@H]1CC2(CC(Nc3cnc(C#N)c(-c4nnn[n-]4)n3)C2)CO1	ZINC001590224692	1166821254	/nfs/dbraw/zinc/82/12/54/1166821254.db2.gz	XWQGRCYUXGUCIY-NQTXRORDSA-N	-1	0	312.337	0.898	20	30		DCEDRM
CCN(C[C@H]1CCOC1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590690723	1166973353	/nfs/dbraw/zinc/97/33/53/1166973353.db2.gz	CEVSOIORHIKTBG-SECBINFHSA-N	-1	0	300.326	0.391	20	30		DCEDRM
COC1([C@@H](C)Nc2cnc(C#N)c(-c3nnn[n-]3)n2)CCC1	ZINC001591339028	1167222020	/nfs/dbraw/zinc/22/20/20/1167222020.db2.gz	VGNLYEIVYPXOPJ-MRVPVSSYSA-N	-1	0	300.326	0.898	20	30		DCEDRM
C[C@@H](O)C1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001591731550	1167363063	/nfs/dbraw/zinc/36/30/63/1167363063.db2.gz	FMMXPUZKMUZTSG-MRVPVSSYSA-N	-1	0	300.326	0.126	20	30		DCEDRM
Cc1c(-c2nnn[n-]2)c(=O)n(CCCCC#N)c(=O)n1C1CC1	ZINC001591793990	1167381966	/nfs/dbraw/zinc/38/19/66/1167381966.db2.gz	SQVZAZZXTNQNHW-UHFFFAOYSA-N	-1	0	315.337	0.527	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@]1(C#N)CC1(C)C	ZINC001591834809	1167389935	/nfs/dbraw/zinc/38/99/35/1167389935.db2.gz	RHOVFHUUYZIZAX-AWEZNQCLSA-N	-1	0	313.321	0.698	20	30		DCEDRM
Cc1ccn(CN2CCC[C@](C)(C#N)C2)c(=O)c1-c1nnn[n-]1	ZINC001592267137	1167479439	/nfs/dbraw/zinc/47/94/39/1167479439.db2.gz	NDGSXOFTPVTEOX-OAHLLOKOSA-N	-1	0	313.365	0.920	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)C(=O)OC(C)(C)C	ZINC001592335062	1167491098	/nfs/dbraw/zinc/49/10/98/1167491098.db2.gz	KNSUADYUXSGWJB-UHFFFAOYSA-N	-1	0	317.309	0.154	20	30		DCEDRM
Cc1nsc(NCCNC(=O)C#CC2CC2)c1-c1nn[nH]n1	ZINC001592491702	1167538703	/nfs/dbraw/zinc/53/87/03/1167538703.db2.gz	RXANIBUPMOBXSE-UHFFFAOYSA-N	-1	0	317.378	0.573	20	30		DCEDRM
C#CCOCCC(=O)N1CCC[C@H]1c1n[nH]nc1C(=O)OCC	ZINC001595493545	1167970851	/nfs/dbraw/zinc/97/08/51/1167970851.db2.gz	WZUFHAQUVOQLJD-NSHDSACASA-N	-1	0	320.349	0.685	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC001600074288	1168112436	/nfs/dbraw/zinc/11/24/36/1168112436.db2.gz	WHNMDVUFAVPERS-LBPRGKRZSA-N	-1	0	301.302	0.282	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NCCCCC(=O)[O-])n(CCC#N)n1	ZINC001600247817	1168148702	/nfs/dbraw/zinc/14/87/02/1168148702.db2.gz	PVJKPDTXSVNNOW-UHFFFAOYSA-N	-1	0	321.337	0.415	20	30		DCEDRM
Cc1cc(NC(=O)NC[C@]2(C(=O)[O-])CCOC2)nn1CCC#N	ZINC001600267065	1168152742	/nfs/dbraw/zinc/15/27/42/1168152742.db2.gz	PUBLPMBVERBHAA-CQSZACIVSA-N	-1	0	321.337	0.718	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@](C)(C#N)C1	ZINC001600362008	1168173706	/nfs/dbraw/zinc/17/37/06/1168173706.db2.gz	CFHZNYOSRQWCOB-AWEZNQCLSA-N	-1	0	324.358	0.996	20	30		DCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2cccc(C(=O)[O-])n2)c1=O	ZINC001600896512	1168498234	/nfs/dbraw/zinc/49/82/34/1168498234.db2.gz	ZWPSTPJIIRVNRD-WAYWQWQTSA-N	-1	0	301.258	0.475	20	30		DCEDRM
Cn1cc(Br)c(C(=O)N(CC#N)CCC(=O)[O-])n1	ZINC001600926401	1168509983	/nfs/dbraw/zinc/50/99/83/1168509983.db2.gz	VYKFKDOJCYOTKZ-UHFFFAOYSA-N	-1	0	315.127	0.623	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001600927514	1168511881	/nfs/dbraw/zinc/51/18/81/1168511881.db2.gz	PAKZUWAJSHPBDO-GFCCVEGCSA-N	-1	0	319.317	0.519	20	30		DCEDRM
N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001601047811	1168576942	/nfs/dbraw/zinc/57/69/42/1168576942.db2.gz	YLJUHWSJHVMTTR-TUAOUCFPSA-N	-1	0	308.334	0.776	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2CCCO2)CC1	ZINC001601052015	1168577802	/nfs/dbraw/zinc/57/78/02/1168577802.db2.gz	IQBMUGXRKCPUKN-SNVBAGLBSA-N	-1	0	302.352	0.186	20	30		DCEDRM
N#CC1(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC2(CC2)C1	ZINC001601050603	1168577872	/nfs/dbraw/zinc/57/78/72/1168577872.db2.gz	WMJFUMWHAFXBTM-JTQLQIEISA-N	-1	0	315.333	0.834	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCSC[C@H](C(=O)[O-])C2)CC1	ZINC001601058513	1168578984	/nfs/dbraw/zinc/57/89/84/1168578984.db2.gz	VTKQQEHVJVMCHI-SECBINFHSA-N	-1	0	304.393	0.370	20	30		DCEDRM
N#CCCCCNC(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC001601065499	1168579539	/nfs/dbraw/zinc/57/95/39/1168579539.db2.gz	HIRFKNPRRFPRJG-UHFFFAOYSA-N	-1	0	317.345	0.854	20	30		DCEDRM
N#CCCCCCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001601065232	1168579832	/nfs/dbraw/zinc/57/98/32/1168579832.db2.gz	XZAHHDJCDVWRJW-MRXNPFEDSA-N	-1	0	323.393	0.848	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1	ZINC001601063119	1168579883	/nfs/dbraw/zinc/57/98/83/1168579883.db2.gz	OAECNICESILZGW-UHFFFAOYSA-N	-1	0	311.275	0.437	20	30		DCEDRM
N#CCCn1ccc(NC(=O)C(=O)NC2(CC(=O)[O-])CCC2)n1	ZINC001601068917	1168580212	/nfs/dbraw/zinc/58/02/12/1168580212.db2.gz	XJYACOBQKODIJG-UHFFFAOYSA-N	-1	0	319.321	0.249	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@@H]1CC(=O)Nc2ccccc21	ZINC001601069110	1168580318	/nfs/dbraw/zinc/58/03/18/1168580318.db2.gz	FYDRGVJSJUPTJT-JTQLQIEISA-N	-1	0	301.302	0.939	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)CC=C(Cl)Cl	ZINC001601072708	1168581571	/nfs/dbraw/zinc/58/15/71/1168581571.db2.gz	MDXLFLLEXIUSHG-UHFFFAOYSA-N	-1	0	301.151	0.935	20	30		DCEDRM
N#CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC1	ZINC001601073408	1168581713	/nfs/dbraw/zinc/58/17/13/1168581713.db2.gz	SMBFRKPPOFQFCH-WCQYABFASA-N	-1	0	308.382	0.917	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1	ZINC001601074321	1168581718	/nfs/dbraw/zinc/58/17/18/1168581718.db2.gz	SBMRFYNWKVDVKC-OLZOCXBDSA-N	-1	0	304.302	0.837	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1	ZINC001601073792	1168581738	/nfs/dbraw/zinc/58/17/38/1168581738.db2.gz	AJAXXCDFWKDRKU-AWEZNQCLSA-N	-1	0	318.329	0.834	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	ZINC001601078737	1168582942	/nfs/dbraw/zinc/58/29/42/1168582942.db2.gz	YKBHJNBSEBDVLI-UHFFFAOYSA-N	-1	0	306.343	0.990	20	30		DCEDRM
N#C[C@@]12CN([C@H](C(=O)[O-])c3cccnc3)C[C@H]1CS(=O)(=O)C2	ZINC001601079611	1168582959	/nfs/dbraw/zinc/58/29/59/1168582959.db2.gz	OAQHKCMZRZWRME-OBJOEFQTSA-N	-1	0	321.358	0.077	20	30		DCEDRM
N#C[C@H]1C[C@H]1C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001601079504	1168583020	/nfs/dbraw/zinc/58/30/20/1168583020.db2.gz	FNJWEKRGKLXIJL-ZYHUDNBSSA-N	-1	0	301.302	0.528	20	30		DCEDRM
N#Cc1cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)ccc1F	ZINC001601087598	1168583582	/nfs/dbraw/zinc/58/35/82/1168583582.db2.gz	MGZMHLVWCDFSHD-UHFFFAOYSA-N	-1	0	318.264	0.773	20	30		DCEDRM
N#Cc1cc(COC(=O)Cn2cc(C(=O)[O-])nn2)ccc1F	ZINC001601088378	1168583688	/nfs/dbraw/zinc/58/36/88/1168583688.db2.gz	UGKCIKMWULAKRZ-UHFFFAOYSA-N	-1	0	304.237	0.730	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)cn1	ZINC001601091839	1168584106	/nfs/dbraw/zinc/58/41/06/1168584106.db2.gz	BHMCLCQRHDBCCE-NSHDSACASA-N	-1	0	312.289	0.330	20	30		DCEDRM
N#Cc1ccc(CCC(=O)N[C@H](Cn2ccnc2)C(=O)[O-])cc1	ZINC001601099176	1168584449	/nfs/dbraw/zinc/58/44/49/1168584449.db2.gz	HHAATRGPQWIDPY-CQSZACIVSA-N	-1	0	312.329	0.957	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)[C@H]2CCCC(=O)N2)C(=O)[O-])cc1	ZINC001601099831	1168584796	/nfs/dbraw/zinc/58/47/96/1168584796.db2.gz	VTEQPEDOGRNUFM-DGCLKSJQSA-N	-1	0	302.286	0.896	20	30		DCEDRM
N#Cc1ccc(OC2CN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)C2)cc1	ZINC001601109431	1168586529	/nfs/dbraw/zinc/58/65/29/1168586529.db2.gz	TYYPBGIPWFKRKZ-KGLIPLIRSA-N	-1	0	316.313	0.780	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H](F)C(=O)[O-])c(Cl)c1	ZINC001601111459	1168586802	/nfs/dbraw/zinc/58/68/02/1168586802.db2.gz	DSNBZLWHTPCEHO-QMMMGPOBSA-N	-1	0	306.702	0.913	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC2CSC2)c(C(=O)[O-])c1	ZINC001601111547	1168586836	/nfs/dbraw/zinc/58/68/36/1168586836.db2.gz	IMFZYKBTOUQCRW-UHFFFAOYSA-N	-1	0	312.372	0.898	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCn2ccnc2)c(C(=O)[O-])c1	ZINC001601111605	1168586920	/nfs/dbraw/zinc/58/69/20/1168586920.db2.gz	KCBJGGDFSHGTHH-UHFFFAOYSA-N	-1	0	320.330	0.431	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])c1	ZINC001601114537	1168587464	/nfs/dbraw/zinc/58/74/64/1168587464.db2.gz	CMASDSBIPNGIKQ-GFCCVEGCSA-N	-1	0	304.302	0.894	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCOC[C@@H]2CC(=O)[O-])c1	ZINC001601121620	1168587978	/nfs/dbraw/zinc/58/79/78/1168587978.db2.gz	QFWJLBXAEWXWKF-LBPRGKRZSA-N	-1	0	304.302	0.639	20	30		DCEDRM
N#Cc1cccc(CNC(=O)NCCC(=O)NCCC(=O)[O-])c1	ZINC001601122969	1168588277	/nfs/dbraw/zinc/58/82/77/1168588277.db2.gz	KVTWPGFTEWGPEQ-UHFFFAOYSA-N	-1	0	318.333	0.338	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c1	ZINC001601122323	1168588465	/nfs/dbraw/zinc/58/84/65/1168588465.db2.gz	KKBMEXRNYDTNBP-JTQLQIEISA-N	-1	0	323.255	0.818	20	30		DCEDRM
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](CO)C(=O)[O-]	ZINC001601125487	1168589196	/nfs/dbraw/zinc/58/91/96/1168589196.db2.gz	IKNGIQRGCFRPSJ-LBPRGKRZSA-N	-1	0	319.317	0.229	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)NCc1nc(C(=O)[O-])co1	ZINC001601126098	1168589502	/nfs/dbraw/zinc/58/95/02/1168589502.db2.gz	WIERLUJCJSVSDV-UHFFFAOYSA-N	-1	0	301.258	0.940	20	30		DCEDRM
N#Cc1cncnc1N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001601131601	1168590981	/nfs/dbraw/zinc/59/09/81/1168590981.db2.gz	IAIZOJWUAGVGEH-OAHLLOKOSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1ccsc1NC(=O)Cn1nc(C(=O)[O-])ccc1=O	ZINC001601129757	1168591826	/nfs/dbraw/zinc/59/18/26/1168591826.db2.gz	RSZXXJHBCGHEAR-UHFFFAOYSA-N	-1	0	304.287	0.513	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCC(CS(N)(=O)=O)CC1	ZINC001601133784	1168592904	/nfs/dbraw/zinc/59/29/04/1168592904.db2.gz	VRMCRZWGJZJTIJ-UHFFFAOYSA-N	-1	0	324.362	0.156	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCC[C@H](N2CCOCC2)C1	ZINC001601132709	1168593185	/nfs/dbraw/zinc/59/31/85/1168593185.db2.gz	BIEWQVUFMKDCLD-LBPRGKRZSA-N	-1	0	316.361	0.952	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCC2(CNC(=O)O2)CC1	ZINC001601133888	1168593370	/nfs/dbraw/zinc/59/33/70/1168593370.db2.gz	YCRQSWGGJYABEX-UHFFFAOYSA-N	-1	0	302.290	0.730	20	30		DCEDRM
O=C([O-])c1nccc(N2CC[C@@H](NC(=O)C#CC3CC3)C2)n1	ZINC001601223768	1168666895	/nfs/dbraw/zinc/66/68/95/1168666895.db2.gz	LKLRXWCPSBNGCX-LLVKDONJSA-N	-1	0	300.318	0.283	20	30		DCEDRM
O=C([O-])[C@H]1CN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CCO1	ZINC001601238608	1168671973	/nfs/dbraw/zinc/67/19/73/1168671973.db2.gz	LUIRAESLZCCYQH-ACVFHECNSA-N	-1	0	307.277	0.720	20	30		DCEDRM
O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1cccc(C#CCO)c1	ZINC001601408523	1168735120	/nfs/dbraw/zinc/73/51/20/1168735120.db2.gz	IBOJWEBHOZKILD-LSDHHAIUSA-N	-1	0	317.341	0.783	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001602677221	1169156766	/nfs/dbraw/zinc/15/67/66/1169156766.db2.gz	RTJJDRJGGAEGTK-OZVIIMIRSA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#CC1(O)CN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1	ZINC001602676943	1169157211	/nfs/dbraw/zinc/15/72/11/1169157211.db2.gz	MNXYOADJOWCNEV-LLVKDONJSA-N	-1	0	302.330	0.069	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@H]1C(=O)Nc2c1cccc2F)C(=O)[O-]	ZINC001602686888	1169158034	/nfs/dbraw/zinc/15/80/34/1169158034.db2.gz	AJVSUGBEOSXNIY-KOLCDFICSA-N	-1	0	304.277	0.844	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@@H]1C(=O)Nc2c1cccc2F)C(=O)[O-]	ZINC001602686891	1169158125	/nfs/dbraw/zinc/15/81/25/1169158125.db2.gz	AJVSUGBEOSXNIY-ONGXEEELSA-N	-1	0	304.277	0.844	20	30		DCEDRM
C#CC[C@H](NC(=O)COc1ccc(C#N)cc1OC)C(=O)[O-]	ZINC001602687025	1169158784	/nfs/dbraw/zinc/15/87/84/1169158784.db2.gz	FKDKJFUBBFMLEE-NSHDSACASA-N	-1	0	302.286	0.538	20	30		DCEDRM
C#CC[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC001602687836	1169159977	/nfs/dbraw/zinc/15/99/77/1169159977.db2.gz	XMSRWGUWMHEIIB-LBPRGKRZSA-N	-1	0	314.297	0.265	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)CCCCCC(=O)OC)C(=O)[O-]	ZINC001602698614	1169164915	/nfs/dbraw/zinc/16/49/15/1169164915.db2.gz	NSHNFZKTLMZYDI-JTQLQIEISA-N	-1	0	305.352	0.116	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)Nc1cccc(-c2nn[nH]n2)c1	ZINC001602703264	1169166318	/nfs/dbraw/zinc/16/63/18/1169166318.db2.gz	MKASGFHEANGCEN-GFCCVEGCSA-N	-1	0	300.322	0.763	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001602701402	1169166456	/nfs/dbraw/zinc/16/64/56/1169166456.db2.gz	IGEWINPFFPWUJX-LBPRGKRZSA-N	-1	0	304.302	0.214	20	30		DCEDRM
C#CCCCC(=O)NCCCNc1cnc(-c2nn[nH]n2)cn1	ZINC001602704242	1169166716	/nfs/dbraw/zinc/16/67/16/1169166716.db2.gz	SVMYVVCEOIIRFC-UHFFFAOYSA-N	-1	0	314.353	0.378	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F	ZINC001602715495	1169168542	/nfs/dbraw/zinc/16/85/42/1169168542.db2.gz	JTLVQUOJPWKLCC-UHFFFAOYSA-N	-1	0	313.281	0.920	20	30		DCEDRM
C#CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@H](OC)C1	ZINC001602711776	1169168594	/nfs/dbraw/zinc/16/85/94/1169168594.db2.gz	TZHXNPTXGJVHDX-SRVKXCTJSA-N	-1	0	303.380	0.588	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC001602715907	1169168665	/nfs/dbraw/zinc/16/86/65/1169168665.db2.gz	XAZCXBFMFJCLBW-CYBMUJFWSA-N	-1	0	304.346	0.089	20	30		DCEDRM
C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)C1	ZINC001602720396	1169170516	/nfs/dbraw/zinc/17/05/16/1169170516.db2.gz	QAZKFERXZBMAHH-CYBMUJFWSA-N	-1	0	322.386	0.761	20	30		DCEDRM
C#CCO[C@H](C)C(=O)O[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C(=O)OC)C1	ZINC001602725724	1169172947	/nfs/dbraw/zinc/17/29/47/1169172947.db2.gz	GNAYFDQPGCTTQG-NOOOWODRSA-N	-1	0	312.318	0.610	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1	ZINC001602721125	1169173531	/nfs/dbraw/zinc/17/35/31/1169173531.db2.gz	WZNDDYNAEZWXPS-MELADBBJSA-N	-1	0	308.378	0.613	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](C)CN(C)c1ccnc(C(=O)[O-])n1	ZINC001602725440	1169173645	/nfs/dbraw/zinc/17/36/45/1169173645.db2.gz	BQZOVLJRBLWYDS-MNOVXSKESA-N	-1	0	320.349	0.154	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC/C=C/CNc1ncc(C(=O)[O-])cn1	ZINC001602727015	1169174108	/nfs/dbraw/zinc/17/41/08/1169174108.db2.gz	ZDCDOZQQKBQEEP-ZWNMCFTASA-N	-1	0	318.333	0.297	20	30		DCEDRM
C#CCn1ccc(CN(CC)S(=O)(=O)CCCC(=O)[O-])n1	ZINC001602738363	1169176066	/nfs/dbraw/zinc/17/60/66/1169176066.db2.gz	WPTLNZZIMJMCNI-UHFFFAOYSA-N	-1	0	313.379	0.533	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n1	ZINC001602738350	1169176623	/nfs/dbraw/zinc/17/66/23/1169176623.db2.gz	WDZPGXNROYKOSX-BETUJISGSA-N	-1	0	319.361	0.602	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)[O-]	ZINC001602749686	1169178194	/nfs/dbraw/zinc/17/81/94/1169178194.db2.gz	HGTLYWULDUJDCR-KGXJWFGYSA-N	-1	0	323.349	0.290	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@]1(COC)C(=O)[O-]	ZINC001602755645	1169178952	/nfs/dbraw/zinc/17/89/52/1169178952.db2.gz	ZDKWOJJXJLUDIG-DOMZBBRYSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=C(C)Cn1c([C@H](C)CO)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001602766130	1169181122	/nfs/dbraw/zinc/18/11/22/1169181122.db2.gz	VRDVZNCPMXJIAC-YGRLFVJLSA-N	-1	0	312.345	0.953	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCC1(CS(C)(=O)=O)CCC1	ZINC001602783258	1169183398	/nfs/dbraw/zinc/18/33/98/1169183398.db2.gz	VUOTUOPLCRWKIM-UHFFFAOYSA-N	-1	0	303.380	0.739	20	30		DCEDRM
C=C[C@@H](O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001602820943	1169188576	/nfs/dbraw/zinc/18/85/76/1169188576.db2.gz	QTWURUODDBBYQP-RKDXNWHRSA-N	-1	0	310.331	0.215	20	30		DCEDRM
C=CC[C@@H](Sc1nc(O)cc(=O)n1CCOC)C(=O)[O-]	ZINC001602849824	1169192488	/nfs/dbraw/zinc/19/24/88/1169192488.db2.gz	REVRHHXYMLGTLN-MRVPVSSYSA-N	-1	0	300.336	0.717	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCCS(=O)(=O)C1)C(=O)[O-]	ZINC001602863921	1169196745	/nfs/dbraw/zinc/19/67/45/1169196745.db2.gz	VIQTULIDNRIZEO-QWRGUYRKSA-N	-1	0	303.380	0.737	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)C(=O)[O-]	ZINC001602865107	1169196749	/nfs/dbraw/zinc/19/67/49/1169196749.db2.gz	DNGDQRRIZPMXAT-WRWGMCAJSA-N	-1	0	313.350	0.879	20	30		DCEDRM
C=CCN([C@@H](C)COC)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001602887256	1169198208	/nfs/dbraw/zinc/19/82/08/1169198208.db2.gz	ODTZBRZOTOOGFY-JTQLQIEISA-N	-1	0	314.363	0.991	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC001602887223	1169198268	/nfs/dbraw/zinc/19/82/68/1169198268.db2.gz	NAOHFPAJGOYSNU-UHFFFAOYSA-N	-1	0	306.318	0.654	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)c1cccc(CC(=O)[O-])c1	ZINC001602901900	1169201340	/nfs/dbraw/zinc/20/13/40/1169201340.db2.gz	CEPVRQHZZGFFAX-UHFFFAOYSA-N	-1	0	320.301	0.482	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN[C@@](C)(CC(=O)[O-])c1ccccn1	ZINC001602902217	1169201657	/nfs/dbraw/zinc/20/16/57/1169201657.db2.gz	UHTDZXOELJSLCM-HNNXBMFYSA-N	-1	0	320.349	0.373	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(CN2CCCC2)on1)C(=O)[O-]	ZINC001602908609	1169201671	/nfs/dbraw/zinc/20/16/71/1169201671.db2.gz	ABHVHWCMGUOIPB-CYBMUJFWSA-N	-1	0	323.349	0.656	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001602906539	1169201697	/nfs/dbraw/zinc/20/16/97/1169201697.db2.gz	JLWRRCHWPOXGAM-PHIMTYICSA-N	-1	0	306.322	0.437	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c(C)nn2cccnc12)C(=O)[O-]	ZINC001602908671	1169201949	/nfs/dbraw/zinc/20/19/49/1169201949.db2.gz	BQIOHGJHXURODY-JTQLQIEISA-N	-1	0	304.306	0.423	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1ccccc1C(=O)[O-])C(=O)OC	ZINC001602909220	1169203023	/nfs/dbraw/zinc/20/30/23/1169203023.db2.gz	QZSCWKPGFMNBNU-ZDUSSCGKSA-N	-1	0	321.329	0.788	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)[O-]	ZINC001602909715	1169203107	/nfs/dbraw/zinc/20/31/07/1169203107.db2.gz	FFRAGBLDNZUENC-QWRGUYRKSA-N	-1	0	312.366	0.405	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccccc1C(=O)OC)C(=O)[O-]	ZINC001602913469	1169203953	/nfs/dbraw/zinc/20/39/53/1169203953.db2.gz	RAWCBMLHSZBAQL-GFCCVEGCSA-N	-1	0	307.302	0.859	20	30		DCEDRM
C=CCOC[C@H]1NC(=O)N(c2ccc(CC(=O)[O-])cc2)C1=O	ZINC001602915025	1169205044	/nfs/dbraw/zinc/20/50/44/1169205044.db2.gz	AWXFAGURWLZHEL-GFCCVEGCSA-N	-1	0	304.302	0.941	20	30		DCEDRM
CC#CCNC(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001602949540	1169218924	/nfs/dbraw/zinc/21/89/24/1169218924.db2.gz	NJADLQORFGPTCA-UHFFFAOYSA-N	-1	0	309.347	0.583	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@H]21	ZINC001603130084	1169250585	/nfs/dbraw/zinc/25/05/85/1169250585.db2.gz	QVZGLRQLSPRZAB-JFGNBEQYSA-N	-1	0	315.333	0.372	20	30		DCEDRM
CC(C)(C#N)CC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1	ZINC001603230072	1169276707	/nfs/dbraw/zinc/27/67/07/1169276707.db2.gz	NOUDVZMELXIESN-UHFFFAOYSA-N	-1	0	316.379	0.465	20	30		DCEDRM
CC(C)(C#N)CNC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001603230759	1169277840	/nfs/dbraw/zinc/27/78/40/1169277840.db2.gz	YZBAAYXYHYWQJB-JTQLQIEISA-N	-1	0	320.353	0.873	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@@H](Nc1ccnc(C(=O)[O-])n1)C(C)C	ZINC001603700169	1169364756	/nfs/dbraw/zinc/36/47/56/1169364756.db2.gz	NPKDVGDKJUJPRF-GFCCVEGCSA-N	-1	0	318.377	0.809	20	30		DCEDRM
C[C@H](Sc1nncn1C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001604458967	1169596788	/nfs/dbraw/zinc/59/67/88/1169596788.db2.gz	LLPNZDJCVBPSTE-VIFPVBQESA-N	-1	0	323.378	0.513	20	30		DCEDRM
CNC(=O)c1cccc(Cn2c(C)nc(-c3nnn[n-]3)c2C#N)c1	ZINC001604891219	1169732230	/nfs/dbraw/zinc/73/22/30/1169732230.db2.gz	RVGXLWLSXBGIDG-UHFFFAOYSA-N	-1	0	322.332	0.651	20	30		DCEDRM
COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CCCCC#N)c1	ZINC001604964056	1169764449	/nfs/dbraw/zinc/76/44/49/1169764449.db2.gz	GAUJFOXZIBEPDC-UHFFFAOYSA-N	-1	0	302.294	0.509	20	30		DCEDRM
CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001605188324	1169863135	/nfs/dbraw/zinc/86/31/35/1169863135.db2.gz	NITAXWIVNUFADV-GFCCVEGCSA-N	-1	0	321.377	0.994	20	30		DCEDRM
Cc1cc(NC(=O)Cn2c(C)nc(-c3nnn[n-]3)c2C#N)on1	ZINC001605708000	1169989385	/nfs/dbraw/zinc/98/93/85/1169989385.db2.gz	HMSGQXKGXWSGKY-UHFFFAOYSA-N	-1	0	313.281	0.178	20	30		DCEDRM
CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC001606072756	1170070650	/nfs/dbraw/zinc/07/06/50/1170070650.db2.gz	VIEVZRBWNPWMNB-CQSZACIVSA-N	-1	0	324.358	0.617	20	30		DCEDRM
CN(CCCNc1ccc(C#N)nc1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001606122820	1170084286	/nfs/dbraw/zinc/08/42/86/1170084286.db2.gz	YCFXOVTUPHCDKO-QWHCGFSZSA-N	-1	0	302.334	0.934	20	30		DCEDRM
CN(CCCNc1ncccc1C#N)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001606122553	1170085431	/nfs/dbraw/zinc/08/54/31/1170085431.db2.gz	OVVPRNULHNBFRR-NWDGAFQWSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1ncc(NC[C@@H](O)c2cccnc2)nc1-c1nnn[n-]1	ZINC001606398016	1170182803	/nfs/dbraw/zinc/18/28/03/1170182803.db2.gz	HPNCTEMKBVIAIL-SNVBAGLBSA-N	-1	0	309.293	0.069	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)c1cccc(CC(=O)[O-])c1	ZINC001606454196	1170209728	/nfs/dbraw/zinc/20/97/28/1170209728.db2.gz	WVZHSWWZDINZGB-UHFFFAOYSA-N	-1	0	304.302	0.843	20	30		DCEDRM
COC(=O)CC[C@@H](/N=C\c1c(CO)cnc(C)c1O)C(=O)[O-]	ZINC001606459007	1170213712	/nfs/dbraw/zinc/21/37/12/1170213712.db2.gz	XUMVDERHDRKKON-HYDYUIDNSA-N	-1	0	310.306	0.413	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C#N)ccc2C)C1	ZINC001606706343	1170269054	/nfs/dbraw/zinc/26/90/54/1170269054.db2.gz	LSEWGKQWOWNGGG-CQSZACIVSA-N	-1	0	324.358	0.731	20	30		DCEDRM
COCCCNC(=O)[C@H](C#N)C(=O)Cc1ccccc1C(=O)[O-]	ZINC001606869452	1170319697	/nfs/dbraw/zinc/31/96/97/1170319697.db2.gz	JZYVNJZXYIPTBG-CYBMUJFWSA-N	-1	0	318.329	0.789	20	30		DCEDRM
COc1cc(CNS(=O)(=O)CC2(C(=O)[O-])CC2)ccc1C#N	ZINC001607164453	1170412003	/nfs/dbraw/zinc/41/20/03/1170412003.db2.gz	VZKCIZRPTVMKOR-UHFFFAOYSA-N	-1	0	324.358	0.851	20	30		DCEDRM
COc1cccc(CNC(=O)CN(CC#N)CCC(=O)[O-])c1	ZINC001607323820	1170428344	/nfs/dbraw/zinc/42/83/44/1170428344.db2.gz	RPEOCPZQCMKKAQ-UHFFFAOYSA-N	-1	0	305.334	0.612	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001607479121	1170463746	/nfs/dbraw/zinc/46/37/46/1170463746.db2.gz	OTGNBFGIBUFSHA-GWCFXTLKSA-N	-1	0	324.358	0.615	20	30		DCEDRM
C[C@H]1CN(Cc2cnc3c(C#N)cnn3c2)C[C@@H](C(=O)[O-])O1	ZINC001607476760	1170463979	/nfs/dbraw/zinc/46/39/79/1170463979.db2.gz	HSZVXTYJWZIXCB-CABZTGNLSA-N	-1	0	301.306	0.275	20	30		DCEDRM
Cc1cc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)ncc1C(N)=O	ZINC001607571003	1170478054	/nfs/dbraw/zinc/47/80/54/1170478054.db2.gz	SGKMRHUVWFPTFB-UHFFFAOYSA-N	-1	0	316.317	0.320	20	30		DCEDRM
Cc1cc(C(=O)N[C@@H](CO)C(=O)[O-])nn1-c1cccc(C#N)c1	ZINC001607576434	1170478926	/nfs/dbraw/zinc/47/89/26/1170478926.db2.gz	RWQDOKOMIDWSHN-ZDUSSCGKSA-N	-1	0	314.301	0.228	20	30		DCEDRM
Cc1cc(C(=O)NCCn2cc(C(=O)[O-])nn2)cc(C)c1C#N	ZINC001607578750	1170479584	/nfs/dbraw/zinc/47/95/84/1170479584.db2.gz	HBCYYYYLXBSQSZ-UHFFFAOYSA-N	-1	0	313.317	0.895	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)c1C#N	ZINC001607861367	1170514784	/nfs/dbraw/zinc/51/47/84/1170514784.db2.gz	UZRNOAQHWZPTMZ-CYBMUJFWSA-N	-1	0	310.331	0.077	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)NC2(CC(=O)[O-])CCC2)ccc1C#N	ZINC001607962873	1170535694	/nfs/dbraw/zinc/53/56/94/1170535694.db2.gz	KGXCKPAOJISOLG-UHFFFAOYSA-N	-1	0	316.317	0.714	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001608005680	1170547013	/nfs/dbraw/zinc/54/70/13/1170547013.db2.gz	REVAYMIFNXIVHH-UHFFFAOYSA-N	-1	0	312.351	0.108	20	30		DCEDRM
Cn1cc(C#N)c(=O)n(Cc2cc(C(=O)[O-])ccc2Cl)c1=O	ZINC001608093404	1170569555	/nfs/dbraw/zinc/56/95/55/1170569555.db2.gz	FOWNDDFYUDTUDO-UHFFFAOYSA-N	-1	0	319.704	0.819	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCCCC2)CC1	ZINC001608173767	1170594209	/nfs/dbraw/zinc/59/42/09/1170594209.db2.gz	AIOCAEGDOUYTPB-UHFFFAOYSA-N	-1	0	301.368	0.407	20	30		DCEDRM
Cn1ncc(C(=O)[O-])c1NC(=O)NC1CCN(CC#N)CC1	ZINC001608156418	1170601011	/nfs/dbraw/zinc/60/10/11/1170601011.db2.gz	PAZRDNZJZKECFY-UHFFFAOYSA-N	-1	0	306.326	0.228	20	30		DCEDRM
N#C[C@@H]1CSCCN1C(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001608179969	1170610970	/nfs/dbraw/zinc/61/09/70/1170610970.db2.gz	RZJOSSOYPBNFHW-SNVBAGLBSA-N	-1	0	308.363	0.829	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccc(Cn2cccn2)o1	ZINC001608185353	1170611755	/nfs/dbraw/zinc/61/17/55/1170611755.db2.gz	NICLNJAWAJZMNV-UHFFFAOYSA-N	-1	0	302.290	0.965	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CNc1ccccc1C(N)=O	ZINC001608185272	1170611817	/nfs/dbraw/zinc/61/18/17/1170611817.db2.gz	KFQDNDWFPDFTPP-UHFFFAOYSA-N	-1	0	304.306	0.024	20	30		DCEDRM
N#CCN1CCN(C(=O)Nc2cccc(CC(=O)[O-])n2)CC1	ZINC001608187932	1170612332	/nfs/dbraw/zinc/61/23/32/1170612332.db2.gz	GUQZNGOAAUOWCS-UHFFFAOYSA-N	-1	0	303.322	0.382	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccnc(NC(=O)C2CC2)c1	ZINC001608186041	1170612508	/nfs/dbraw/zinc/61/25/08/1170612508.db2.gz	BLJGYUPXIADPOV-UHFFFAOYSA-N	-1	0	316.317	0.871	20	30		DCEDRM
N#Cc1c(COC(=O)CN2C(=O)CCC2=O)cccc1C(=O)[O-]	ZINC001608190448	1170612828	/nfs/dbraw/zinc/61/28/28/1170612828.db2.gz	FVFDNOHRVLZZMK-UHFFFAOYSA-N	-1	0	316.269	0.449	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)C1	ZINC001608190829	1170613022	/nfs/dbraw/zinc/61/30/22/1170613022.db2.gz	ZFNUBVJXASAJSH-NWDGAFQWSA-N	-1	0	307.350	0.508	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001608198239	1170613842	/nfs/dbraw/zinc/61/38/42/1170613842.db2.gz	VRTPZCUIVGQZNC-LLVKDONJSA-N	-1	0	319.292	0.959	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CN2CCOC[C@@H]2CC(=O)[O-])cc1	ZINC001608205202	1170614663	/nfs/dbraw/zinc/61/46/63/1170614663.db2.gz	XSFVXWHQQAJOKT-AWEZNQCLSA-N	-1	0	317.345	0.350	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)cc1	ZINC001608205616	1170615301	/nfs/dbraw/zinc/61/53/01/1170615301.db2.gz	IWEUQSIXGFTYRB-CQSZACIVSA-N	-1	0	324.358	0.469	20	30		DCEDRM
N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nc1	ZINC001608208672	1170616230	/nfs/dbraw/zinc/61/62/30/1170616230.db2.gz	KKGWIQNREZOXCB-JZIZGNRHSA-N	-1	0	300.318	0.758	20	30		DCEDRM
N#Cc1ccc(OCC(=O)NC2(C(=O)[O-])CC(CO)C2)cc1	ZINC001608210769	1170616484	/nfs/dbraw/zinc/61/64/84/1170616484.db2.gz	XJRBMDCSJAMVSS-UHFFFAOYSA-N	-1	0	304.302	0.279	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)c1	ZINC001608217959	1170617163	/nfs/dbraw/zinc/61/71/63/1170617163.db2.gz	AJEWRFUSVGUXBJ-YPMHNXCESA-N	-1	0	324.358	0.574	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)CCN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1	ZINC001608218091	1170617413	/nfs/dbraw/zinc/61/74/13/1170617413.db2.gz	FBDQSHPMGXEWRH-WDNDVIMCSA-N	-1	0	320.370	0.594	20	30		DCEDRM
N#Cc1csc(CN(CCN2CCOCC2)CC(=O)[O-])n1	ZINC001608222129	1170618434	/nfs/dbraw/zinc/61/84/34/1170618434.db2.gz	LNKAZSRSWSLPNF-UHFFFAOYSA-N	-1	0	310.379	0.234	20	30		DCEDRM
N#Cc1cnccc1NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001608222166	1170618462	/nfs/dbraw/zinc/61/84/62/1170618462.db2.gz	ACHUAWNDSIURAP-MNOVXSKESA-N	-1	0	300.318	0.157	20	30		DCEDRM
N#Cc1cncc(CNS(=O)(=O)CC2(C(=O)[O-])CCC2)c1	ZINC001608222242	1170618842	/nfs/dbraw/zinc/61/88/42/1170618842.db2.gz	CGZHJFVMGNMVEM-UHFFFAOYSA-N	-1	0	309.347	0.628	20	30		DCEDRM
O=C([O-])[C@H]1CCC(=NNC(=S)NCCN2CCOCC2)C1	ZINC001608617101	1170722894	/nfs/dbraw/zinc/72/28/94/1170722894.db2.gz	WPLPCQPFZMRUBR-JTQLQIEISA-N	-1	0	314.411	0.023	20	30		DCEDRM
O=C([O-])c1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)C#CC2CC2)nc1	ZINC001608975654	1170778890	/nfs/dbraw/zinc/77/88/90/1170778890.db2.gz	IOHNCFVHSUDBCI-STQMWFEESA-N	-1	0	312.329	0.378	20	30		DCEDRM
C#C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)oc1C)[C@@H]1CCCO1	ZINC001609018782	1170785559	/nfs/dbraw/zinc/78/55/59/1170785559.db2.gz	GETSEEWBVUHUMW-MNOVXSKESA-N	-1	0	301.306	0.679	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001609057801	1170794680	/nfs/dbraw/zinc/79/46/80/1170794680.db2.gz	GDUPTOAOMAURIV-LBPRGKRZSA-N	-1	0	315.391	0.685	20	30		DCEDRM
C#CCC(CC#C)C(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001609076460	1170800048	/nfs/dbraw/zinc/80/00/48/1170800048.db2.gz	MWLZMFXXMJDCPF-GFCCVEGCSA-N	-1	0	319.357	0.904	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)Cc1cc(C(C)(C)C)on1)C(=O)[O-]	ZINC001609089686	1170804013	/nfs/dbraw/zinc/80/40/13/1170804013.db2.gz	QSBIOBIOLNMCFM-SNVBAGLBSA-N	-1	0	314.363	0.868	20	30		DCEDRM
Cc1ccn(CN2CC[C@](F)(C#N)C2)c(=O)c1-c1nnn[n-]1	ZINC001609438171	1170976852	/nfs/dbraw/zinc/97/68/52/1170976852.db2.gz	UMJIPQKMGWFLHN-ZDUSSCGKSA-N	-1	0	303.301	0.232	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2oc(=O)[nH]c2c1)C(=O)[O-]	ZINC001609443204	1170979211	/nfs/dbraw/zinc/97/92/11/1170979211.db2.gz	UZCMDJNJMPRZFT-SNVBAGLBSA-N	-1	0	306.274	0.919	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001609488482	1170995500	/nfs/dbraw/zinc/99/55/00/1170995500.db2.gz	AZVUGPBZVOLLLL-UHFFFAOYSA-N	-1	0	323.374	0.926	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001609631247	1171056069	/nfs/dbraw/zinc/05/60/69/1171056069.db2.gz	VJJZERIVSWTZJN-SNVBAGLBSA-N	-1	0	303.318	0.870	20	30		DCEDRM
C[C@@H](OC(=O)/C=C/c1ccccc1C#N)C(=O)NCC(=O)[O-]	ZINC001609793872	1171087553	/nfs/dbraw/zinc/08/75/53/1171087553.db2.gz	SYSZKESUHLTDEP-VQCYPWCPSA-N	-1	0	302.286	0.704	20	30		DCEDRM
C[C@@H]1CN(C(=O)CON=Cc2ccc(C(=O)[O-])cc2)CCO1	ZINC001609864121	1171108604	/nfs/dbraw/zinc/10/86/04/1171108604.db2.gz	LCXMOMCOCHZLIY-LLVKDONJSA-N	-1	0	306.318	0.983	20	30		DCEDRM
CCN(C[C@@H](C)C#N)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O	ZINC001609993171	1171132145	/nfs/dbraw/zinc/13/21/45/1171132145.db2.gz	IWCWSNMVRBUBEP-HZMBPMFUSA-N	-1	0	310.354	0.601	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)Cn1nc(C(=O)OC)cc1C(=O)[O-]	ZINC001609994222	1171133862	/nfs/dbraw/zinc/13/38/62/1171133862.db2.gz	VJIRDAYEERODJF-SECBINFHSA-N	-1	0	322.321	0.376	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])CC(=O)Nc1oc(C)c(C)c1C#N	ZINC001610185236	1171191984	/nfs/dbraw/zinc/19/19/84/1171191984.db2.gz	SMELRBFHNJEWQQ-UHFFFAOYSA-N	-1	0	323.305	0.266	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)[O-]	ZINC001610251349	1171207543	/nfs/dbraw/zinc/20/75/43/1171207543.db2.gz	VRHUMGGGFGHOTJ-GFCCVEGCSA-N	-1	0	312.347	0.272	20	30		DCEDRM
Cc1cc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)nn1CCC#N	ZINC001610472859	1171240861	/nfs/dbraw/zinc/24/08/61/1171240861.db2.gz	SYSSDKWYINKQSL-QWRGUYRKSA-N	-1	0	321.337	0.405	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1C#N	ZINC001610525245	1171246959	/nfs/dbraw/zinc/24/69/59/1171246959.db2.gz	RRDOZKLIANTWIV-ZYHUDNBSSA-N	-1	0	315.329	0.984	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)Cc1c[nH]c(C(=O)[O-])c1	ZINC001610621303	1171271413	/nfs/dbraw/zinc/27/14/13/1171271413.db2.gz	BCBPOOJSXMSPBH-UHFFFAOYSA-N	-1	0	306.366	0.761	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc2nnc(C(F)F)n2c1	ZINC001610622514	1171271640	/nfs/dbraw/zinc/27/16/40/1171271640.db2.gz	VBDGAFWBQUWYMN-UHFFFAOYSA-N	-1	0	309.232	0.717	20	30		DCEDRM
N#Cc1cc(=O)n(C[C@H](O)COc2ccc(C(=O)[O-])cc2)cn1	ZINC001610624196	1171271863	/nfs/dbraw/zinc/27/18/63/1171271863.db2.gz	MPAFIWLWNDSROX-LBPRGKRZSA-N	-1	0	315.285	0.253	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCOC[C@@H]2CC(=O)[O-])nc1	ZINC001610629331	1171272188	/nfs/dbraw/zinc/27/21/88/1171272188.db2.gz	RDSZWTVJQATXOD-NSHDSACASA-N	-1	0	304.306	0.067	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H]2CC(=O)[O-])nc1	ZINC001610630161	1171272453	/nfs/dbraw/zinc/27/24/53/1171272453.db2.gz	OEESGSGWSLDUIU-LBPRGKRZSA-N	-1	0	323.374	0.666	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)Oc2cccnc2C(=O)[O-])c1	ZINC001610634020	1171273657	/nfs/dbraw/zinc/27/36/57/1171273657.db2.gz	ZSNBBHCVUOQEFG-UHFFFAOYSA-N	-1	0	305.271	0.814	20	30		DCEDRM
O=C([O-])c1ccc(C(=O)NCCNC(=O)C2N=CC=CC2=O)o1	ZINC001610884703	1171349298	/nfs/dbraw/zinc/34/92/98/1171349298.db2.gz	ZOFBOGXOJKRNEE-QBFSEMIESA-N	-1	0	319.273	0.234	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001617628991	1171389407	/nfs/dbraw/zinc/38/94/07/1171389407.db2.gz	BYBYGKXYYLHDNR-UHFFFAOYSA-N	-1	0	304.306	0.571	20	30		DCEDRM
N#C[C@@H](CO)NC(=O)c1cc(Br)cc(F)c1[O-]	ZINC001627548444	1171507584	/nfs/dbraw/zinc/50/75/84/1171507584.db2.gz	IRIXEFZRXVOKIS-LURJTMIESA-N	-1	0	303.087	0.908	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1N=NC(=S)N1C	ZINC001632971829	1171628879	/nfs/dbraw/zinc/62/88/79/1171628879.db2.gz	RPUWVILPOSVLTD-UHFFFAOYSA-N	-1	0	304.335	0.315	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H](C#N)C2CCCC2)c(=O)[n-]c1=O	ZINC001633203458	1171635118	/nfs/dbraw/zinc/63/51/18/1171635118.db2.gz	JDPHBHIYPOFILY-NSHDSACASA-N	-1	0	301.306	0.019	20	30		DCEDRM
C=CC[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C(=O)OCC	ZINC001633797766	1171653509	/nfs/dbraw/zinc/65/35/09/1171653509.db2.gz	SCTWBJQBAWOQKB-ZETCQYMHSA-N	-1	0	300.340	0.226	20	30		DCEDRM
CSCCCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001634032411	1171657995	/nfs/dbraw/zinc/65/79/95/1171657995.db2.gz	IWRRTFARPCVBBP-UHFFFAOYSA-N	-1	0	310.379	0.470	20	30		DCEDRM
N#C[C@@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CCCC1	ZINC001636733353	1171746910	/nfs/dbraw/zinc/74/69/10/1171746910.db2.gz	XJUOCZQOGYRPOI-CYBMUJFWSA-N	-1	0	311.349	0.887	20	30		DCEDRM
C=CCO[N-]C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12	ZINC001636770850	1171748326	/nfs/dbraw/zinc/74/83/26/1171748326.db2.gz	UNHAOAFIKWLLQO-UHFFFAOYSA-N	-1	0	310.335	0.075	20	30		DCEDRM
C=CCOCCCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001640604094	1171887096	/nfs/dbraw/zinc/88/70/96/1171887096.db2.gz	JFLJNMVVAJXYKT-UHFFFAOYSA-N	-1	0	318.333	0.589	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@]2(O)CCOC2)cc1C#N	ZINC001645759069	1172128566	/nfs/dbraw/zinc/12/85/66/1172128566.db2.gz	WMHYEXHMENGQAW-CYBMUJFWSA-N	-1	0	309.347	0.262	20	30		DCEDRM
C[C@H]1C(=O)N([N-]C(=O)c2c(F)cc(C#N)cc2F)C(=O)N1C	ZINC001645981420	1172204794	/nfs/dbraw/zinc/20/47/94/1172204794.db2.gz	AFLIZVLMAVRPOY-LURJTMIESA-N	-1	0	308.244	0.764	20	30		DCEDRM
CC1(C)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1(C)C	ZINC001646092795	1172249567	/nfs/dbraw/zinc/24/95/67/1172249567.db2.gz	ZVQFCJBEOZFYLR-UHFFFAOYSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccc(CC#N)cc2)n1	ZINC001647180347	1172723760	/nfs/dbraw/zinc/72/37/60/1172723760.db2.gz	BGCJRUDQMVRXDH-UHFFFAOYSA-N	-1	0	306.351	0.738	20	30		DCEDRM
C=CCCC[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C(=O)OC	ZINC001652014294	1173760729	/nfs/dbraw/zinc/76/07/29/1173760729.db2.gz	WNZGFFNYYDEMSR-QMMMGPOBSA-N	-1	0	314.367	0.617	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001661861979	1174164930	/nfs/dbraw/zinc/16/49/30/1174164930.db2.gz	YHLYOTXSPJLSHZ-ABAIWWIYSA-N	-1	0	323.397	0.308	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(C)C	ZINC001677199202	1175547967	/nfs/dbraw/zinc/54/79/67/1175547967.db2.gz	XDPZBHOAOYWSFN-GFCCVEGCSA-N	-1	0	323.397	0.217	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001678129686	1175625820	/nfs/dbraw/zinc/62/58/20/1175625820.db2.gz	VOJXKUAFGXXUHI-KOLCDFICSA-N	-1	0	324.381	0.592	20	30		DCEDRM
C=CCCCC(=O)N(C)C[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001680844904	1175862654	/nfs/dbraw/zinc/86/26/54/1175862654.db2.gz	CODLHUJHCBZLNO-NSHDSACASA-N	-1	0	324.381	0.329	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001689162054	1176720397	/nfs/dbraw/zinc/72/03/97/1176720397.db2.gz	ULAFGRBYJMPUCK-SNVBAGLBSA-N	-1	0	324.381	0.233	20	30		DCEDRM
N#CCNC[C@H]1C[C@H](NC(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001700641013	1178687781	/nfs/dbraw/zinc/68/77/81/1178687781.db2.gz	JIHOELWQQHJFBU-XYPYZODXSA-N	-1	0	311.345	0.957	20	30		DCEDRM
C=CCCC(=O)N[C@@H](C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001726090430	1185092440	/nfs/dbraw/zinc/09/24/40/1185092440.db2.gz	QRAVUOIDBDUKBV-VIFPVBQESA-N	-1	0	306.366	0.967	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001731717874	1185457244	/nfs/dbraw/zinc/45/72/44/1185457244.db2.gz	YYOPFIHHOKDYCL-ABAIWWIYSA-N	-1	0	323.397	0.260	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CCC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001731717877	1185457671	/nfs/dbraw/zinc/45/76/71/1185457671.db2.gz	YYOPFIHHOKDYCL-XHDPSFHLSA-N	-1	0	323.397	0.260	20	30		DCEDRM
C#CCN1CC(CNC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC001732129388	1185688270	/nfs/dbraw/zinc/68/82/70/1185688270.db2.gz	HHVXCYLPIORMLS-UHFFFAOYSA-N	-1	0	304.394	0.056	20	30		DCEDRM
C#CCCCC(=O)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001732402555	1185800475	/nfs/dbraw/zinc/80/04/75/1185800475.db2.gz	MTDDTFAJSROXCZ-UHFFFAOYSA-N	-1	0	317.393	0.738	20	30		DCEDRM
C=CCCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001734722512	1186731320	/nfs/dbraw/zinc/73/13/20/1186731320.db2.gz	ZMCGLNVNSPNZNK-RKDXNWHRSA-N	-1	0	323.353	0.262	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001738876946	1187680604	/nfs/dbraw/zinc/68/06/04/1187680604.db2.gz	TUJOTGTZSMJFOG-SNVBAGLBSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C[C@@H]1[C@H](NC(=O)C#CC2CC2)CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001755716543	1189192436	/nfs/dbraw/zinc/19/24/36/1189192436.db2.gz	ATGVBNCPGZHGQD-ZYHUDNBSSA-N	-1	0	303.366	0.393	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC([C@@H](C)NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001756149772	1189301741	/nfs/dbraw/zinc/30/17/41/1189301741.db2.gz	KIFUGHHEYFDJRD-SNVBAGLBSA-N	-1	0	318.377	0.660	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)n1	ZINC001771848255	1190526396	/nfs/dbraw/zinc/52/63/96/1190526396.db2.gz	LVOYQSCUSODXRJ-UHFFFAOYSA-N	-1	0	312.251	0.704	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c(C#N)c1=O	ZINC001772114937	1190610823	/nfs/dbraw/zinc/61/08/23/1190610823.db2.gz	RUMIHOSQTUNREX-IEBDPFPHSA-N	-1	0	304.350	0.561	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)C2CN(CC#N)C2)cc1=O	ZINC001043243867	752150190	/nfs/dbraw/zinc/15/01/90/752150190.db2.gz	WFILVNGGCZOLCT-UHFFFAOYSA-N	-1	0	305.382	0.041	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCNc2nccnc2C#N)c1[O-]	ZINC001106283920	751086197	/nfs/dbraw/zinc/08/61/97/751086197.db2.gz	QKLTWVWCZNHSQL-MRVPVSSYSA-N	-1	0	315.337	0.706	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCNc2nccnc2C#N)c1[O-]	ZINC001106283921	751086393	/nfs/dbraw/zinc/08/63/93/751086393.db2.gz	QKLTWVWCZNHSQL-QMMMGPOBSA-N	-1	0	315.337	0.706	20	30		DCEDRM
C=C(C)COCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001137454951	759750471	/nfs/dbraw/zinc/75/04/71/759750471.db2.gz	YWBJEXYPCRDCFW-UHFFFAOYSA-N	-1	0	302.338	0.397	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001123961178	768086369	/nfs/dbraw/zinc/08/63/69/768086369.db2.gz	JDFLGFWZWXVYAT-JTQLQIEISA-N	-1	0	300.322	0.789	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCNc2ncccc2C#N)c1[O-]	ZINC001101555527	764154302	/nfs/dbraw/zinc/15/43/02/764154302.db2.gz	VHXNOWWTWIOLSH-UHFFFAOYSA-N	-1	0	300.322	0.875	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)CNc2cncc(C#N)n2)c1[O-]	ZINC001103949283	765208602	/nfs/dbraw/zinc/20/86/02/765208602.db2.gz	KTFAIKNGCZUQFH-MRVPVSSYSA-N	-1	0	315.337	0.563	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)C(=O)[N-]OCCSC	ZINC001117340380	766026879	/nfs/dbraw/zinc/02/68/79/766026879.db2.gz	HVJPWCFXNTXXQU-UHFFFAOYSA-N	-1	0	322.386	0.726	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2CCN(C(C)=O)CC2)CC1	ZINC001117641029	766116443	/nfs/dbraw/zinc/11/64/43/766116443.db2.gz	HYDDAAFVHXKEFI-UHFFFAOYSA-N	-1	0	314.407	0.800	20	30		DCEDRM
C#CCNC(=O)c1ccccc1NC(=O)CCCc1nnn[n-]1	ZINC001136510421	766315028	/nfs/dbraw/zinc/31/50/28/766315028.db2.gz	YJMKKKOZIDNSQN-UHFFFAOYSA-N	-1	0	312.333	0.524	20	30		DCEDRM
C[C@@H](CN(C)C(=O)c1cnc[nH]c1=O)Nc1nccnc1C#N	ZINC001120251307	766948608	/nfs/dbraw/zinc/94/86/08/766948608.db2.gz	IQJJMNQHXBMGDQ-VIFPVBQESA-N	-1	0	313.321	0.416	20	30		DCEDRM
CC1(Cn2cc(C([O-])=C(C#N)C(=O)N3CCCC3)nn2)COC1	ZINC001122415291	767796621	/nfs/dbraw/zinc/79/66/21/767796621.db2.gz	QPYAMVBONTZSMI-NSHDSACASA-N	-1	0	317.349	0.259	20	30		DCEDRM
C#C[C@@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C(C)C	ZINC001139438149	768475459	/nfs/dbraw/zinc/47/54/59/768475459.db2.gz	KEKRLKWMDICOGN-GFCCVEGCSA-N	-1	0	300.318	0.654	20	30		DCEDRM
N#Cc1c(F)cccc1NCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001094253476	768922728	/nfs/dbraw/zinc/92/27/28/768922728.db2.gz	QAXFMRGXMJQOPW-UHFFFAOYSA-N	-1	0	318.268	0.135	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCNc2nc(C)cc(C#N)n2)c1[O-]	ZINC001094391153	769025937	/nfs/dbraw/zinc/02/59/37/769025937.db2.gz	VLKHVHLDIXRRDU-UHFFFAOYSA-N	-1	0	315.337	0.626	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCNc2ccncc2C#N)c1[O-]	ZINC001094391347	769026653	/nfs/dbraw/zinc/02/66/53/769026653.db2.gz	ZHBSTUURKKXYAH-UHFFFAOYSA-N	-1	0	300.322	0.344	20	30		DCEDRM
N#Cc1ccc2nc(=O)[n-]c(O[C@@H]3CCS(=O)(=O)C3)c2c1	ZINC001234530890	769683574	/nfs/dbraw/zinc/68/35/74/769683574.db2.gz	OBMVJMYFMDQDFD-SECBINFHSA-N	-1	0	305.315	0.773	20	30		DCEDRM
N#Cc1c(N)nc(=NC2CC2)n(-c2cccc(C(=O)[O-])c2)c1N	ZINC001175327677	769887370	/nfs/dbraw/zinc/88/73/70/769887370.db2.gz	ULQMHOZPNIVQOR-UHFFFAOYSA-N	-1	0	310.317	0.670	20	30		DCEDRM
CO/N=C(\C(=O)n1[n-]c2ccnc(=O)c-2c1N)c1ccco1	ZINC001177355728	770428192	/nfs/dbraw/zinc/42/81/92/770428192.db2.gz	PYDPARWFTIILHF-YVLHZVERSA-N	-1	0	301.262	0.542	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2CC(Cl)(Cl)C2)c(=O)[n-]c1=O	ZINC001156844883	770941870	/nfs/dbraw/zinc/94/18/70/770941870.db2.gz	FUQOWPSIKJIVET-UHFFFAOYSA-N	-1	0	317.132	0.273	20	30		DCEDRM
C#CCNC(=O)COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1	ZINC001182549424	771504417	/nfs/dbraw/zinc/50/44/17/771504417.db2.gz	FQTIALRQWIGZNM-GFCCVEGCSA-N	-1	0	318.354	0.709	20	30		DCEDRM
CC(C)(C)OC(=O)N(CCC#N)CC(=O)NCS(=O)(=O)[O-]	ZINC001184862879	771839337	/nfs/dbraw/zinc/83/93/37/771839337.db2.gz	YSTKMIRCNFDWQJ-UHFFFAOYSA-N	-1	0	321.355	0.099	20	30		DCEDRM
COc1ccc(S(=O)(=O)N2CC[C@@H](C#N)C2)cc1C(=O)[O-]	ZINC001185295870	771902018	/nfs/dbraw/zinc/90/20/18/771902018.db2.gz	NFIOJYBYFDZNDK-VIFPVBQESA-N	-1	0	310.331	0.928	20	30		DCEDRM
C[C@H](C#N)C(=O)NCCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001159587334	771931124	/nfs/dbraw/zinc/93/11/24/771931124.db2.gz	OGJPWASACPQEGS-SNVBAGLBSA-N	-1	0	304.354	0.308	20	30		DCEDRM
Cc1ccn2cc(CNc3[n-]c(=O)n(C)c(=O)c3C#N)nc2c1	ZINC001162238124	772345736	/nfs/dbraw/zinc/34/57/36/772345736.db2.gz	HPSLDTXGPAHSNJ-UHFFFAOYSA-N	-1	0	310.317	0.514	20	30		DCEDRM
CN(C)c1ccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1F	ZINC001163966219	772600367	/nfs/dbraw/zinc/60/03/67/772600367.db2.gz	ACRQPSXJGMUYQU-UHFFFAOYSA-N	-1	0	303.297	0.894	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1cc(Cl)nc(N2CCOCC2)c1	ZINC001192942898	772976141	/nfs/dbraw/zinc/97/61/41/772976141.db2.gz	FTOGBWAGOUNCJZ-UHFFFAOYSA-N	-1	0	316.770	0.837	20	30		DCEDRM
CCOc1cc([N-]S(=O)(=O)[C@@H](C)C#N)cc(C(=O)OC)n1	ZINC001193113038	773007447	/nfs/dbraw/zinc/00/74/47/773007447.db2.gz	XYENCEDWFQKWNN-QMMMGPOBSA-N	-1	0	313.335	0.343	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F	ZINC001193146952	773017842	/nfs/dbraw/zinc/01/78/42/773017842.db2.gz	UVFZFGUGBNSUGY-ZETCQYMHSA-N	-1	0	306.340	0.883	20	30		DCEDRM
COC(=O)[C@@H]([N-]S(=O)(=O)[C@@H](C)C#N)[C@@H](C)OC(C)(C)C	ZINC001193170173	773021233	/nfs/dbraw/zinc/02/12/33/773021233.db2.gz	GWEHRTDRZRDUTG-AEJSXWLSSA-N	-1	0	306.384	0.563	20	30		DCEDRM
N#Cc1cc(C(=O)Nc2nc(C#N)c(C#N)nc2N)ccc1[O-]	ZINC001193498280	773071399	/nfs/dbraw/zinc/07/13/99/773071399.db2.gz	JTGRFCDLVBLYRY-UHFFFAOYSA-N	-1	0	305.257	0.632	20	30		DCEDRM
N#Cc1cc(C(=O)NCCNC(=O)c2ccncc2)ccc1[O-]	ZINC001193512613	773076142	/nfs/dbraw/zinc/07/61/42/773076142.db2.gz	PMQRZLBSRXUVDK-UHFFFAOYSA-N	-1	0	310.313	0.819	20	30		DCEDRM
CCOC(=O)[C@@H]1COCCN1C(=O)c1cccc(C#N)c1[O-]	ZINC001193646876	773097598	/nfs/dbraw/zinc/09/75/98/773097598.db2.gz	PLTHOSNYVTXMCN-LBPRGKRZSA-N	-1	0	304.302	0.668	20	30		DCEDRM
C=C[C@@H]1C[C@]1(NC(=S)NCC)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001195363320	773386760	/nfs/dbraw/zinc/38/67/60/773386760.db2.gz	BMWRNIORBCIHKV-PRHODGIISA-N	-1	0	317.436	0.024	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@@H](NCC#N)C1	ZINC001211219133	773781508	/nfs/dbraw/zinc/78/15/08/773781508.db2.gz	INSGTESLXJEKGO-SECBINFHSA-N	-1	0	320.315	0.548	20	30		DCEDRM
CC(C)(C)OC(=O)n1ccc(NC(=N[O-])c2nonc2N)n1	ZINC001216671356	774126793	/nfs/dbraw/zinc/12/67/93/774126793.db2.gz	YABZCMVLRNKCOQ-UHFFFAOYSA-N	-1	0	309.286	0.879	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2cccc(C#N)n2)c1	ZINC001201844375	774565808	/nfs/dbraw/zinc/56/58/08/774565808.db2.gz	YEPVEWHGIJLBIK-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C=CCCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001221779668	775193917	/nfs/dbraw/zinc/19/39/17/775193917.db2.gz	HLKFUXJGRXPANE-VXGBXAGGSA-N	-1	0	305.382	0.899	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCCC1OCCO1	ZINC001224937138	775622928	/nfs/dbraw/zinc/62/29/28/775622928.db2.gz	YXUUYLHHMKRMEQ-LLVKDONJSA-N	-1	0	310.368	0.615	20	30		DCEDRM
CCOC(=O)c1[n-]c(=O)nc(O[C@H](C)CS)c1[N+](=O)[O-]	ZINC001226016238	775756073	/nfs/dbraw/zinc/75/60/73/775756073.db2.gz	XHTQYEUBUIFGOE-RXMQYKEDSA-N	-1	0	303.296	0.964	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncc(Cl)cn1	ZINC001226660720	775857777	/nfs/dbraw/zinc/85/77/77/775857777.db2.gz	LCTFWAPEDWUJCG-SECBINFHSA-N	-1	0	308.743	0.968	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(O)ccc1O	ZINC001227403553	775970929	/nfs/dbraw/zinc/97/09/29/775970929.db2.gz	DAEKEQBEKMLNPP-SNVBAGLBSA-N	-1	0	304.320	0.936	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c(C)n(C)ccc1=O	ZINC001228435960	776082653	/nfs/dbraw/zinc/08/26/53/776082653.db2.gz	QQZPWUQMLZKDSH-LLVKDONJSA-N	-1	0	317.363	0.532	20	30		DCEDRM
N#CCCN1CC(Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1	ZINC001228610003	776103251	/nfs/dbraw/zinc/10/32/51/776103251.db2.gz	LMWIDHJHLYPZPT-UHFFFAOYSA-N	-1	0	305.294	0.944	20	30		DCEDRM
O=C(C#CC1CC1)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001041274635	777170160	/nfs/dbraw/zinc/17/01/60/777170160.db2.gz	ZZRKLORJHGWESS-INIZCTEOSA-N	-1	0	315.377	0.348	20	30		DCEDRM
N#Cc1ccc(Cl)c(C(=O)NCCC(=O)NCCC(=O)[O-])c1	ZINC001601103695	1168585774	/nfs/dbraw/zinc/58/57/74/1168585774.db2.gz	XCCMEKDLEXCBIC-UHFFFAOYSA-N	-1	0	323.736	0.922	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)[O-]	ZINC001602750097	1169179848	/nfs/dbraw/zinc/17/98/48/1169179848.db2.gz	LVMGTOBPQMOUSZ-RBZYPMLTSA-N	-1	0	312.391	0.976	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CCSC)C(=O)N(C)OC	ZINC001602785643	1169183066	/nfs/dbraw/zinc/18/30/66/1169183066.db2.gz	CKOBQSOJFCRJNA-JTQLQIEISA-N	-1	0	318.395	0.665	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1CC(C)C	ZINC001602820241	1169188265	/nfs/dbraw/zinc/18/82/65/1169188265.db2.gz	FPZNZRQCIYLGPC-GHMZBOCLSA-N	-1	0	310.354	0.443	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)[O-]	ZINC001602909713	1169202481	/nfs/dbraw/zinc/20/24/81/1169202481.db2.gz	FFRAGBLDNZUENC-GHMZBOCLSA-N	-1	0	312.366	0.405	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001481699730	940050459	/nfs/dbraw/zinc/05/04/59/940050459.db2.gz	QYIUKRPFQWCYOP-GHMZBOCLSA-N	-1	0	309.370	0.182	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC/C=C\CNCC#N	ZINC001268628576	940308104	/nfs/dbraw/zinc/30/81/04/940308104.db2.gz	OGVAAEBZLDVPGP-ARJAWSKDSA-N	-1	0	306.288	0.229	20	30		DCEDRM
C#CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1cnc[nH]c1=O	ZINC001271630683	941413409	/nfs/dbraw/zinc/41/34/09/941413409.db2.gz	PPOAMHWCVDBYMQ-MRXNPFEDSA-N	-1	0	314.345	0.413	20	30		DCEDRM
C#CCN1CC2(CN(C(=O)c3ccc(F)c(O)c3)C2)OCC1=O	ZINC001272227636	941835381	/nfs/dbraw/zinc/83/53/81/941835381.db2.gz	QITJNANFGULGAF-UHFFFAOYSA-N	-1	0	318.304	0.218	20	30		DCEDRM
COc1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1F	ZINC001412848557	942106056	/nfs/dbraw/zinc/10/60/56/942106056.db2.gz	CIYWTWVPUDOWNL-UHFFFAOYSA-N	-1	0	318.264	0.607	20	30		DCEDRM
CCNc1cc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)ccn1	ZINC001412892990	942127243	/nfs/dbraw/zinc/12/72/43/942127243.db2.gz	MDYSVKAUBWOMJX-UHFFFAOYSA-N	-1	0	300.322	0.384	20	30		DCEDRM
CC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001412941446	942147851	/nfs/dbraw/zinc/14/78/51/942147851.db2.gz	VBKXGTMYEBGFTM-LBPRGKRZSA-N	-1	0	304.350	0.906	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCO[C@@H]3COCC[C@@H]31)cc2=O	ZINC001413065180	942454053	/nfs/dbraw/zinc/45/40/53/942454053.db2.gz	KDSDQTVRXZHIRF-QWHCGFSZSA-N	-1	0	315.333	0.296	20	30		DCEDRM
CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001413231770	942574750	/nfs/dbraw/zinc/57/47/50/942574750.db2.gz	GGDNRAROGNYIKB-GXSJLCMTSA-N	-1	0	304.350	0.761	20	30		DCEDRM
N#CCCCN1CC[C@@]2(CCCN2C(=O)c2cc(=O)[nH][n-]2)C1=O	ZINC001272285539	942662134	/nfs/dbraw/zinc/66/21/34/942662134.db2.gz	IDLVSXFQFQEYLK-HNNXBMFYSA-N	-1	0	317.349	0.626	20	30		DCEDRM
N#Cc1cccc(NCC(=O)NCC(=O)[O-])c1Br	ZINC001611299464	970981392	/nfs/dbraw/zinc/98/13/92/970981392.db2.gz	BBDHKAPJNZDNCX-UHFFFAOYSA-N	-1	0	312.123	0.933	20	30		DCEDRM
N#Cc1ccc(C(=O)N2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)c([O-])c1	ZINC001276865371	944333761	/nfs/dbraw/zinc/33/37/61/944333761.db2.gz	XYAHTXGOKOUKLY-PJQZNRQZSA-N	-1	0	315.329	0.103	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)[N-]O[C@H]2CCCCO2)nn1CCC#N	ZINC001320618678	945953172	/nfs/dbraw/zinc/95/31/72/945953172.db2.gz	LFYONYHUIJNABY-LBPRGKRZSA-N	-1	0	321.337	0.618	20	30		DCEDRM
C=C[C@](C)(O)CNc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1	ZINC001252569227	945964078	/nfs/dbraw/zinc/96/40/78/945964078.db2.gz	QXEMUGOEFOIJLQ-AWEZNQCLSA-N	-1	0	312.391	0.654	20	30		DCEDRM
O=C([O-])COc1ccc(C=Nn2c(=O)cn[nH]c2=S)cc1	ZINC001321170143	946199780	/nfs/dbraw/zinc/19/97/80/946199780.db2.gz	ONQXFMLCJUDGCM-UHFFFAOYSA-N	-1	0	306.303	0.273	20	30		DCEDRM
C#C[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C1CCOCC1	ZINC001602672754	971238498	/nfs/dbraw/zinc/23/84/98/971238498.db2.gz	QECBURFGZDTXGM-CYBMUJFWSA-N	-1	0	318.329	0.091	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)[N-]O[C@H]2CCCCO2)n(CCC#N)n1	ZINC001255532122	946522102	/nfs/dbraw/zinc/52/21/02/946522102.db2.gz	VABYKXCKUVZRRN-LBPRGKRZSA-N	-1	0	321.337	0.618	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc(OC)c1C	ZINC001602678837	971257230	/nfs/dbraw/zinc/25/72/30/971257230.db2.gz	HMMQTTBCFCLRFL-UHFFFAOYSA-N	-1	0	304.302	0.489	20	30		DCEDRM
C#C[C@H]1CCCC[N@H+]1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC001573280347	946659632	/nfs/dbraw/zinc/65/96/32/946659632.db2.gz	PCPPMRAEKSCWCB-NSHDSACASA-N	-1	0	324.348	0.603	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnn([C@H](C)CC)c1C	ZINC001602679916	971263301	/nfs/dbraw/zinc/26/33/01/971263301.db2.gz	ZORYMIVUFGNOHA-SNVBAGLBSA-N	-1	0	320.349	0.647	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H](C(C)C)N1CCOCC1	ZINC001602683565	971273879	/nfs/dbraw/zinc/27/38/79/971273879.db2.gz	FVBFXHSPWQWNDE-CYBMUJFWSA-N	-1	0	311.382	0.073	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1cnc(C(N)=O)nc1	ZINC001258208568	946811073	/nfs/dbraw/zinc/81/10/73/946811073.db2.gz	UMQDOCDRQDXEQD-UHFFFAOYSA-N	-1	0	303.303	0.248	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1cccc(C#CC(C)(C)O)c1	ZINC001259026705	946898773	/nfs/dbraw/zinc/89/87/73/946898773.db2.gz	TVYNMWKDCJSWTP-UHFFFAOYSA-N	-1	0	311.359	0.724	20	30		DCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC001259340394	946945987	/nfs/dbraw/zinc/94/59/87/946945987.db2.gz	RNOHVEXTQQNQCB-UHFFFAOYSA-N	-1	0	318.314	0.920	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nn(CC)c2ccccc2c1=O	ZINC001602692398	971303068	/nfs/dbraw/zinc/30/30/68/971303068.db2.gz	NLAYKJDLQRZMGD-UHFFFAOYSA-N	-1	0	313.313	0.576	20	30		DCEDRM
C[C@H]1CN(O)C(=O)[C@H]1NS(=O)(=O)c1ccc(Cl)cc1F	ZINC001259514465	946966192	/nfs/dbraw/zinc/96/61/92/946966192.db2.gz	PCDQMTJGVDZIHS-WKEGUHRASA-N	-1	0	322.745	0.994	20	30		DCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1C#N	ZINC001259844476	947001031	/nfs/dbraw/zinc/00/10/31/947001031.db2.gz	UKNHBJUVGYSJDU-UHFFFAOYSA-N	-1	0	306.303	0.821	20	30		DCEDRM
COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2ccn(C)n2)c1	ZINC001259944912	947032566	/nfs/dbraw/zinc/03/25/66/947032566.db2.gz	YMRXQYDDOSAVKM-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001410870643	947059924	/nfs/dbraw/zinc/05/99/24/947059924.db2.gz	DWWDFEJBIGVHLI-RULNRJAQSA-N	-1	0	304.354	0.283	20	30		DCEDRM
COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2cn[nH]c2)c1	ZINC001260961687	947159597	/nfs/dbraw/zinc/15/95/97/947159597.db2.gz	MYNJAPXLFZOAGS-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2c(C)n[nH]c2C)c(C#C)n1	ZINC001261023959	947165225	/nfs/dbraw/zinc/16/52/25/947165225.db2.gz	KHYKMXQPZVTBBS-UHFFFAOYSA-N	-1	0	301.331	0.580	20	30		DCEDRM
C=CCn1c([C@H](O)COC)nnc1N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC001602729656	971399266	/nfs/dbraw/zinc/39/92/66/971399266.db2.gz	ADINRIRUTILGQY-SDDRHHMPSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=CCn1c([C@H](O)C=C)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001602730295	971407968	/nfs/dbraw/zinc/40/79/68/971407968.db2.gz	ZUYAOMNTDPFAMV-UEKVPHQBSA-N	-1	0	320.349	0.221	20	30		DCEDRM
C#CCN(C(=O)c1ccc(O)cc1O)[C@H]1CCS(=O)(=O)C1	ZINC001325075994	947637760	/nfs/dbraw/zinc/63/77/60/947637760.db2.gz	FFJFRSHDDCKONF-JTQLQIEISA-N	-1	0	309.343	0.360	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-]	ZINC001325144773	947679546	/nfs/dbraw/zinc/67/95/46/947679546.db2.gz	UXGLOWHPYMOIBL-MWLCHTKSSA-N	-1	0	319.379	0.114	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)NCCC[C@H](C)NC(=O)[C@@H](C)C#N	ZINC001487539174	948110788	/nfs/dbraw/zinc/11/07/88/948110788.db2.gz	QOUDLXBWJNRJAF-UWVGGRQHSA-N	-1	0	319.365	0.665	20	30		DCEDRM
CC(C)OC(=O)[C@H](C)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001570918029	948567229	/nfs/dbraw/zinc/56/72/29/948567229.db2.gz	JIKOQXUIBMFADF-MRVPVSSYSA-N	-1	0	316.325	0.528	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1nccn1CC(F)F	ZINC001570922832	948649919	/nfs/dbraw/zinc/64/99/19/948649919.db2.gz	OAZQXYGASCDAJK-UHFFFAOYSA-N	-1	0	320.267	0.027	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)C[C@@H]2CCN2CC#N)cc1=O	ZINC001263803053	948753424	/nfs/dbraw/zinc/75/34/24/948753424.db2.gz	WUWYCTNFRHDMDS-AWEZNQCLSA-N	-1	0	319.409	0.431	20	30		DCEDRM
C=CCNc1ncc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)s1	ZINC001263885488	948795833	/nfs/dbraw/zinc/79/58/33/948795833.db2.gz	ZJXXHAZXXJLZPC-QMMMGPOBSA-N	-1	0	305.367	0.884	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccccc1S(=O)(=O)CC	ZINC000092476793	949144879	/nfs/dbraw/zinc/14/48/79/949144879.db2.gz	OQPPZGOELKCUAN-UHFFFAOYSA-N	-1	0	309.343	0.640	20	30		DCEDRM
C[C@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC[S@]1=O	ZINC001364384120	949159632	/nfs/dbraw/zinc/15/96/32/949159632.db2.gz	WPBGKLXQIJOVMT-MLMJSJRWSA-N	-1	0	319.390	0.649	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3sccc3F)C2)c(=O)[n-]c1=O	ZINC001364447298	949312671	/nfs/dbraw/zinc/31/26/71/949312671.db2.gz	GFDSORKRMOBNRL-UHFFFAOYSA-N	-1	0	320.305	0.718	20	30		DCEDRM
C=CCC1(NC(=O)c2c[n-]n3c2nccc3=O)CCOCC1	ZINC001329402334	949558760	/nfs/dbraw/zinc/55/87/60/949558760.db2.gz	KDEUZCFVKZHBLU-UHFFFAOYSA-N	-1	0	302.334	0.878	20	30		DCEDRM
N#CC1CCC(CNC(=O)C(=O)[N-]OC2CCOCC2)CC1	ZINC001330242110	950221264	/nfs/dbraw/zinc/22/12/64/950221264.db2.gz	SUNIKZLKBLBQOC-UHFFFAOYSA-N	-1	0	309.366	0.659	20	30		DCEDRM
CC(C)(C)CN(CCCO)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001573846080	950246111	/nfs/dbraw/zinc/24/61/11/950246111.db2.gz	OALMIPDURXNDOH-UHFFFAOYSA-N	-1	0	316.369	0.763	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001266208692	950473429	/nfs/dbraw/zinc/47/34/29/950473429.db2.gz	FBUQTXZWXAMZEU-NWDGAFQWSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC1CCN(C(=O)OCC)CC1	ZINC000316002865	950865372	/nfs/dbraw/zinc/86/53/72/950865372.db2.gz	AEWOYBQKMXSYER-UHFFFAOYSA-N	-1	0	311.338	0.337	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001280944570	951181890	/nfs/dbraw/zinc/18/18/90/951181890.db2.gz	METFTGPOQHCIKO-NSHDSACASA-N	-1	0	321.381	0.326	20	30		DCEDRM
CCO[C@@H]1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@]12CCCO2	ZINC001591750649	951187969	/nfs/dbraw/zinc/18/79/69/951187969.db2.gz	GUJNRIPGSUHXOK-IDTSFGKNSA-N	-1	0	310.350	0.834	20	30		DCEDRM
CCO[C@@H]1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@@]12CCCO2	ZINC001591750655	951188023	/nfs/dbraw/zinc/18/80/23/951188023.db2.gz	GUJNRIPGSUHXOK-JLUCKKNBSA-N	-1	0	310.350	0.834	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)[O-]	ZINC001332507510	951672742	/nfs/dbraw/zinc/67/27/42/951672742.db2.gz	QJISRRSUHRCKBM-DTWKUNHWSA-N	-1	0	310.272	0.395	20	30		DCEDRM
N#C[C@H]1CCC[C@@H](OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001411439714	952146047	/nfs/dbraw/zinc/14/60/47/952146047.db2.gz	JKSKFCJSGULRNY-VHSXEESVSA-N	-1	0	301.306	0.697	20	30		DCEDRM
C=CCNC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ncc[n-]1)CC2	ZINC001275462496	952166039	/nfs/dbraw/zinc/16/60/39/952166039.db2.gz	ZYTATKXQCBVFLX-LLVKDONJSA-N	-1	0	324.406	0.503	20	30		DCEDRM
C=CC(C)(C)CCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001333862702	952178647	/nfs/dbraw/zinc/17/86/47/952178647.db2.gz	RGDJUMDGNNIGHC-NSHDSACASA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=CCN(CC1CCCCC1)C(=O)C(=O)NCC(=O)[N-]OC	ZINC001334508378	952333129	/nfs/dbraw/zinc/33/31/29/952333129.db2.gz	COQBPHGKDCWIEK-UHFFFAOYSA-N	-1	0	311.382	0.375	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC[C@@]12CCOC2	ZINC001412059328	952625728	/nfs/dbraw/zinc/62/57/28/952625728.db2.gz	VKIUFDJVLPTLIU-HNNXBMFYSA-N	-1	0	303.318	0.599	20	30		DCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@@H](CO)CC(C)(C)C	ZINC001412146270	952665744	/nfs/dbraw/zinc/66/57/44/952665744.db2.gz	ZTYCJJMZIQFGLP-LLVKDONJSA-N	-1	0	322.365	0.076	20	30		DCEDRM
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412375439	952768563	/nfs/dbraw/zinc/76/85/63/952768563.db2.gz	TXQDKHIPPAXSEL-PRULPYPASA-N	-1	0	316.361	0.619	20	30		DCEDRM
N#CCCCCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001337516105	952870537	/nfs/dbraw/zinc/87/05/37/952870537.db2.gz	DYYGEXGIZUAINC-UHFFFAOYSA-N	-1	0	301.306	0.288	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@H](C)CS(C)(=O)=O	ZINC001412542893	952883606	/nfs/dbraw/zinc/88/36/06/952883606.db2.gz	MFZWMAKGNYZRIZ-SECBINFHSA-N	-1	0	311.363	0.472	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N(C)[C@@H]2COC[C@H]2O)cc1C#N	ZINC001412626456	952948870	/nfs/dbraw/zinc/94/88/70/952948870.db2.gz	IPXFPXBEPXUQSL-NXEZZACHSA-N	-1	0	309.347	0.212	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCc3c(n[nH]c3C(N)=O)C2)ccc1[O-]	ZINC001276155754	952952718	/nfs/dbraw/zinc/95/27/18/952952718.db2.gz	JKXDUWDPKQYWEB-UHFFFAOYSA-N	-1	0	311.301	0.284	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCc3n[nH]c(C(N)=O)c3C2)ccc1[O-]	ZINC001276156817	952953905	/nfs/dbraw/zinc/95/39/05/952953905.db2.gz	ZLKVOPZCGDDYDN-UHFFFAOYSA-N	-1	0	311.301	0.284	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCS[C@H](C)C1	ZINC001339054558	953070864	/nfs/dbraw/zinc/07/08/64/953070864.db2.gz	ISSNCTILXUOPNC-SECBINFHSA-N	-1	0	306.395	0.630	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@H](CO)[C@H]1C	ZINC001340432490	953168796	/nfs/dbraw/zinc/16/87/96/953168796.db2.gz	ZBBFNXXUQWHACJ-GHMZBOCLSA-N	-1	0	318.381	0.285	20	30		DCEDRM
Cc1oc(S(C)(=O)=O)cc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001343502205	953349455	/nfs/dbraw/zinc/34/94/55/953349455.db2.gz	VIYLQLRXDYZGQZ-LLVKDONJSA-N	-1	0	324.358	0.936	20	30		DCEDRM
O=C([O-])[C@]1(C(=O)NCc2ccc(C(=O)NO)cc2)CCCO1	ZINC001594781308	953631624	/nfs/dbraw/zinc/63/16/24/953631624.db2.gz	KHSIQRSSNLTROB-CQSZACIVSA-N	-1	0	308.290	0.056	20	30		DCEDRM
Cc1oc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1S(C)(=O)=O	ZINC001346122164	953805591	/nfs/dbraw/zinc/80/55/91/953805591.db2.gz	VJZJHENWHOAGHO-SNVBAGLBSA-N	-1	0	324.358	0.936	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC001347121569	954026522	/nfs/dbraw/zinc/02/65/22/954026522.db2.gz	CXWXZZPDCWCHFZ-MRVPVSSYSA-N	-1	0	302.250	0.117	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cn2)C[C@H](C)N1CC#N	ZINC001589392352	954334451	/nfs/dbraw/zinc/33/44/51/954334451.db2.gz	NXSSEXDYGDZMBZ-PHIMTYICSA-N	-1	0	302.334	0.838	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001283874365	954686494	/nfs/dbraw/zinc/68/64/94/954686494.db2.gz	QXUZOCSQGNTLHW-LLVKDONJSA-N	-1	0	322.365	0.347	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001283874366	954686652	/nfs/dbraw/zinc/68/66/52/954686652.db2.gz	QXUZOCSQGNTLHW-NSHDSACASA-N	-1	0	322.365	0.347	20	30		DCEDRM
C#CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@@H]1CCCCO1	ZINC001349537785	954789912	/nfs/dbraw/zinc/78/99/12/954789912.db2.gz	AIWWVIVTDDNMTJ-NSHDSACASA-N	-1	0	316.365	0.141	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001284229043	954944024	/nfs/dbraw/zinc/94/40/24/954944024.db2.gz	RFJMFMGLMXURMB-WCBMZHEXSA-N	-1	0	310.354	0.249	20	30		DCEDRM
C=C[C@@](C)(O)C(=O)N1CCN(c2nc(C(=O)[O-])cs2)CC1	ZINC001349997947	954960387	/nfs/dbraw/zinc/96/03/87/954960387.db2.gz	UNHSELJNLYWBSH-CYBMUJFWSA-N	-1	0	311.363	0.427	20	30		DCEDRM
CC[C@H](CNC(=O)C(=O)N(C)Cc1cc(C#N)cs1)C(=O)[O-]	ZINC001589515022	955062093	/nfs/dbraw/zinc/06/20/93/955062093.db2.gz	RGHXRYILPQPFPE-SNVBAGLBSA-N	-1	0	323.374	0.805	20	30		DCEDRM
CC[C@@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)C(=O)[O-]	ZINC001589519331	955086639	/nfs/dbraw/zinc/08/66/39/955086639.db2.gz	RCJCVIHUHMKARI-NSHDSACASA-N	-1	0	315.329	0.674	20	30		DCEDRM
C#CCCCC(=O)NC1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001350852578	955204045	/nfs/dbraw/zinc/20/40/45/955204045.db2.gz	AUTYDUBQAASIEH-UHFFFAOYSA-N	-1	0	318.377	0.948	20	30		DCEDRM
Cc1oc(NC(=O)COC(=O)COCC(=O)[O-])c(C#N)c1C	ZINC001594507318	955371996	/nfs/dbraw/zinc/37/19/96/955371996.db2.gz	WSGWHPSKOVHRPP-UHFFFAOYSA-N	-1	0	310.262	0.351	20	30		DCEDRM
COC(=O)CC[C@H](NS(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC001593849974	955447411	/nfs/dbraw/zinc/44/74/11/955447411.db2.gz	UNMQURSJSPFISJ-VIFPVBQESA-N	-1	0	318.351	0.006	20	30		DCEDRM
Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594523816	955483603	/nfs/dbraw/zinc/48/36/03/955483603.db2.gz	WXYLOFUASVWKIC-ZBEGNZNMSA-N	-1	0	317.345	0.883	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1	ZINC001593904919	955901496	/nfs/dbraw/zinc/90/14/96/955901496.db2.gz	LGIDACNLIKLNQB-UONOGXRCSA-N	-1	0	317.345	0.695	20	30		DCEDRM
N#C[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1ccc(F)cc1	ZINC001594600762	956124827	/nfs/dbraw/zinc/12/48/27/956124827.db2.gz	BJBLVPDBQTVVTR-SNVBAGLBSA-N	-1	0	303.253	0.496	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC001594605634	956168705	/nfs/dbraw/zinc/16/87/05/956168705.db2.gz	GJEGRXPZFIDCKE-RYUDHWBXSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CCN1CCC(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1	ZINC001594609480	956191558	/nfs/dbraw/zinc/19/15/58/956191558.db2.gz	AMAHBUUOWGTNQL-ZDUSSCGKSA-N	-1	0	308.382	0.774	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001594610649	956205804	/nfs/dbraw/zinc/20/58/04/956205804.db2.gz	ALBDTDBVJXPBBK-UHFFFAOYSA-N	-1	0	315.329	0.051	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)Nc2cnn(CC(=O)[O-])c2)cc1	ZINC001594617573	956250559	/nfs/dbraw/zinc/25/05/59/956250559.db2.gz	FORHMODRIBHTMI-ZDUSSCGKSA-N	-1	0	300.274	0.511	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)Nc2cc(C(=O)[O-])n[nH]2)cc1	ZINC001594618047	956259370	/nfs/dbraw/zinc/25/93/70/956259370.db2.gz	ZTNDUICQWQYHPN-UHFFFAOYSA-N	-1	0	313.273	0.348	20	30		DCEDRM
CC[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@H](O)C(F)(F)F	ZINC001413887892	956263763	/nfs/dbraw/zinc/26/37/63/956263763.db2.gz	QLCJOYWJSXRYAJ-BQBZGAKWSA-N	-1	0	306.244	0.059	20	30		DCEDRM
CC(C)[C@H](NC(=O)C(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC001603095099	972169320	/nfs/dbraw/zinc/16/93/20/972169320.db2.gz	YASPYUAQWVOEPR-LBPRGKRZSA-N	-1	0	319.317	0.753	20	30		DCEDRM
N#Cc1cccc(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1	ZINC001594626179	956315436	/nfs/dbraw/zinc/31/54/36/956315436.db2.gz	VFBQZGOLBGELBI-BBRMVZONSA-N	-1	0	300.314	0.660	20	30		DCEDRM
N#Cc1ccnc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c1	ZINC001594631675	956344187	/nfs/dbraw/zinc/34/41/87/956344187.db2.gz	KWAUEFQKWYHNMV-NSHDSACASA-N	-1	0	316.317	0.149	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(Cc2ccc(F)c(F)c2)c1=O	ZINC001594632810	956354216	/nfs/dbraw/zinc/35/42/16/956354216.db2.gz	CSOQYKGBSMDDCA-UHFFFAOYSA-N	-1	0	321.239	0.293	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(C[N@H+]1CCC[C@H](CC(=O)[O-])C1)cc2=O	ZINC001594634738	956364024	/nfs/dbraw/zinc/36/40/24/956364024.db2.gz	OMKZQAJASIXHCC-SNVBAGLBSA-N	-1	0	315.333	0.993	20	30		DCEDRM
COCC#CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001593950575	956377751	/nfs/dbraw/zinc/37/77/51/956377751.db2.gz	CEPFUDGDCNBRTI-NEPJUHHUSA-N	-1	0	305.334	0.087	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)NC(=O)c1cn[nH]n1	ZINC001354578274	956435598	/nfs/dbraw/zinc/43/55/98/956435598.db2.gz	SZQWOVFRLCTVET-HZMBPMFUSA-N	-1	0	309.370	0.268	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1	ZINC001589182380	956536555	/nfs/dbraw/zinc/53/65/55/956536555.db2.gz	IRVHLRGARPWFLR-ZEPSKSRBSA-N	-1	0	321.377	0.898	20	30		DCEDRM
C[C@H](CC#N)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001603119333	972201237	/nfs/dbraw/zinc/20/12/37/972201237.db2.gz	XELICHYCHDRXQM-MNOVXSKESA-N	-1	0	307.350	0.460	20	30		DCEDRM
CCN(CCNC(=O)C#CC(C)C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001356043895	956766690	/nfs/dbraw/zinc/76/66/90/956766690.db2.gz	UWNMHVJQYCFICW-UHFFFAOYSA-N	-1	0	306.366	0.661	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nn(C)c2c1CCCC2	ZINC001356252314	956806022	/nfs/dbraw/zinc/80/60/22/956806022.db2.gz	HEHHUAWDFSEZJC-NSHDSACASA-N	-1	0	304.350	0.384	20	30		DCEDRM
COc1ccc(S(=O)(=O)N[C@H](C)CC#N)c(CC(=O)[O-])c1	ZINC000050391867	957490610	/nfs/dbraw/zinc/49/06/10/957490610.db2.gz	DNGMKQQYDCPQQF-SECBINFHSA-N	-1	0	312.347	0.903	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)nc1	ZINC001329653714	957700131	/nfs/dbraw/zinc/70/01/31/957700131.db2.gz	IYJPNWODJJADLU-UHFFFAOYSA-N	-1	0	302.290	0.215	20	30		DCEDRM
C=CCOCC(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001296405908	957975800	/nfs/dbraw/zinc/97/58/00/957975800.db2.gz	OGBJKRNGKYMZRI-NSHDSACASA-N	-1	0	322.365	0.347	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1	ZINC001588391604	958026013	/nfs/dbraw/zinc/02/60/13/958026013.db2.gz	JSROMNFTUOCJJC-ZDUSSCGKSA-N	-1	0	320.389	0.962	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C\c1cncc(C(=O)NC)c1	ZINC001588400182	958080187	/nfs/dbraw/zinc/08/01/87/958080187.db2.gz	SKTWBZLNPLQZJR-PLNGDYQASA-N	-1	0	301.302	0.001	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1c(C)nn(CCC#N)c1C	ZINC001588402151	958088192	/nfs/dbraw/zinc/08/81/92/958088192.db2.gz	MUSSBGIVCBTWOJ-UHFFFAOYSA-N	-1	0	316.361	0.893	20	30		DCEDRM
COc1cc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c(F)cc1C#N	ZINC001594061617	958094737	/nfs/dbraw/zinc/09/47/37/958094737.db2.gz	CEAASYURXAETES-ZCFIWIBFSA-N	-1	0	309.253	0.234	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1c(C)nn(CC2CC2)c1C	ZINC001588407630	958101385	/nfs/dbraw/zinc/10/13/85/958101385.db2.gz	SDQDDZCFJUHGKQ-UHFFFAOYSA-N	-1	0	303.362	0.999	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1cccc(C(=O)OC)c1	ZINC001588408824	958118295	/nfs/dbraw/zinc/11/82/95/958118295.db2.gz	HBRZJYUFYQOKPD-UHFFFAOYSA-N	-1	0	318.329	0.745	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CC[C@H](c2nc(CC)no2)C1	ZINC001588409263	958124516	/nfs/dbraw/zinc/12/45/16/958124516.db2.gz	DBIRUSIXTLIJLD-QWRGUYRKSA-N	-1	0	320.349	0.998	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CC[C@H](c2nc(CC)no2)C1	ZINC001588409265	958124842	/nfs/dbraw/zinc/12/48/42/958124842.db2.gz	DBIRUSIXTLIJLD-WDEREUQCSA-N	-1	0	320.349	0.998	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000092130792	958160253	/nfs/dbraw/zinc/16/02/53/958160253.db2.gz	UAXWANMOPSXZPP-GFCCVEGCSA-N	-1	0	310.331	0.227	20	30		DCEDRM
Cc1noc(C)c1CN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361648357	958176086	/nfs/dbraw/zinc/17/60/86/958176086.db2.gz	WJYAFVVABJTMRM-UHFFFAOYSA-N	-1	0	317.305	0.084	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ncoc2C)n1CCOC	ZINC001588426186	958227629	/nfs/dbraw/zinc/22/76/29/958227629.db2.gz	BMCPLEPFGDXECT-UHFFFAOYSA-N	-1	0	319.321	0.412	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cc(C)n(C)n2)n1CC	ZINC001588426629	958230815	/nfs/dbraw/zinc/23/08/15/958230815.db2.gz	SIBRXIODEWDSHM-UHFFFAOYSA-N	-1	0	302.338	0.531	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(OC(F)F)c1	ZINC001588426598	958230996	/nfs/dbraw/zinc/23/09/96/958230996.db2.gz	QGOKWVDPAVMKQJ-UHFFFAOYSA-N	-1	0	319.285	0.997	20	30		DCEDRM
C#CCOCCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001588430348	958254683	/nfs/dbraw/zinc/25/46/83/958254683.db2.gz	AQBZVOWOKFIIIX-OLZOCXBDSA-N	-1	0	319.361	0.477	20	30		DCEDRM
C#CCOCCC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1	ZINC001588430351	958255158	/nfs/dbraw/zinc/25/51/58/958255158.db2.gz	AQBZVOWOKFIIIX-STQMWFEESA-N	-1	0	319.361	0.477	20	30		DCEDRM
C#CCN(CCC(=O)Nc1sccc1C(N)=O)CC(=O)[O-]	ZINC001588432385	958281604	/nfs/dbraw/zinc/28/16/04/958281604.db2.gz	PLRGUCGPNYTGKB-UHFFFAOYSA-N	-1	0	309.347	0.195	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N(CC#C)CC(=O)[O-]	ZINC001588433339	958295544	/nfs/dbraw/zinc/29/55/44/958295544.db2.gz	JURWICOSXHAJPH-UHFFFAOYSA-N	-1	0	300.314	0.928	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1	ZINC001588434178	958303679	/nfs/dbraw/zinc/30/36/79/958303679.db2.gz	ZMOPIOWXMPLOPY-AAVRWANBSA-N	-1	0	320.389	0.864	20	30		DCEDRM
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588441224	958335605	/nfs/dbraw/zinc/33/56/05/958335605.db2.gz	AUDPIUQQSDGFFZ-SNVBAGLBSA-N	-1	0	317.353	0.561	20	30		DCEDRM
C=C(C)CS(=O)(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588441383	958336866	/nfs/dbraw/zinc/33/68/66/958336866.db2.gz	BUKYJDJBGWRKLQ-QWKFWESOSA-N	-1	0	303.380	0.894	20	30		DCEDRM
C[C@@H](O)[C@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000096753535	958340541	/nfs/dbraw/zinc/34/05/41/958340541.db2.gz	YPJMUMAIEZINRQ-RNCFNFMXSA-N	-1	0	308.359	0.742	20	30		DCEDRM
C=C(C)Cn1c([C@@H](O)COC)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588443354	958352045	/nfs/dbraw/zinc/35/20/45/958352045.db2.gz	PQJKZTNXKLBGGO-QWRGUYRKSA-N	-1	0	310.354	0.445	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(=O)NCC(F)(F)F	ZINC001361825204	958375216	/nfs/dbraw/zinc/37/52/16/958375216.db2.gz	VFCHQVBAEVIIJC-UHFFFAOYSA-N	-1	0	316.239	0.376	20	30		DCEDRM
COc1ccccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361853890	958408815	/nfs/dbraw/zinc/40/88/15/958408815.db2.gz	IIUHLNQAESVODP-UHFFFAOYSA-N	-1	0	300.274	0.468	20	30		DCEDRM
C=CCC(CC=C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001588452471	958423683	/nfs/dbraw/zinc/42/36/83/958423683.db2.gz	BGOZICIDGZPJKU-NSHDSACASA-N	-1	0	301.364	0.465	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)n1CCOC	ZINC001588452978	958430162	/nfs/dbraw/zinc/43/01/62/958430162.db2.gz	SRHHEABVJFZOCI-UTUOFQBUSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1CC	ZINC001588453332	958437045	/nfs/dbraw/zinc/43/70/45/958437045.db2.gz	XDKWPZNCCILMSP-GPCCPHFNSA-N	-1	0	308.338	0.055	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC001588469393	958515339	/nfs/dbraw/zinc/51/53/39/958515339.db2.gz	CQDFZEHNGXEQRO-UHFFFAOYSA-N	-1	0	322.317	0.736	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC001588472076	958540738	/nfs/dbraw/zinc/54/07/38/958540738.db2.gz	JGNIZZRQZLFQHK-QJPTWQEYSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C=CCn1c([C@H](C)O)nnc1N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588474645	958557006	/nfs/dbraw/zinc/55/70/06/958557006.db2.gz	LTHVYIUOZXCSKI-HZMBPMFUSA-N	-1	0	310.354	0.445	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H]2C[C@H]2Cc2ccccc2)c(=O)[n-]c1=O	ZINC001361978477	958564960	/nfs/dbraw/zinc/56/49/60/958564960.db2.gz	HZLCCOXTBYYVDB-OCCSQVGLSA-N	-1	0	324.340	0.568	20	30		DCEDRM
CNC(=O)[C@H]1CCCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362144194	958816342	/nfs/dbraw/zinc/81/63/42/958816342.db2.gz	CYERSKYCYNTFNJ-JTQLQIEISA-N	-1	0	302.334	0.566	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1	ZINC001362222541	958955869	/nfs/dbraw/zinc/95/58/69/958955869.db2.gz	ZXHUOZFPUZZKIP-SNVBAGLBSA-N	-1	0	300.318	0.460	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)OCC#CCN1C(=O)c2ccccc2C1=O	ZINC001588583361	959276665	/nfs/dbraw/zinc/27/66/65/959276665.db2.gz	AOBDIGDSSNRANL-SNVBAGLBSA-N	-1	0	315.281	0.550	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1CCN(C(N)=O)C1	ZINC001362426852	959335528	/nfs/dbraw/zinc/33/55/28/959335528.db2.gz	ONNVJTLGCKCDQM-VIFPVBQESA-N	-1	0	303.322	0.098	20	30		DCEDRM
CCC[C@]1(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCOC1	ZINC001362433048	959348080	/nfs/dbraw/zinc/34/80/80/959348080.db2.gz	QDOHKLLSSVXELL-HNNXBMFYSA-N	-1	0	320.349	0.286	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC(C)(C)CS(C)(=O)=O	ZINC001362461720	959403097	/nfs/dbraw/zinc/40/30/97/959403097.db2.gz	FPVVGYHFEUHHOG-UHFFFAOYSA-N	-1	0	311.363	0.520	20	30		DCEDRM
CC(C)(C#N)CC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001588607281	959484420	/nfs/dbraw/zinc/48/44/20/959484420.db2.gz	RSHIVNQTILDDFU-NSHDSACASA-N	-1	0	321.377	0.850	20	30		DCEDRM
Cc1ccoc1CN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362506726	959488021	/nfs/dbraw/zinc/48/80/21/959488021.db2.gz	GHGRJGFBEOCEQW-UHFFFAOYSA-N	-1	0	316.317	0.771	20	30		DCEDRM
CC(C)(C#N)CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588607584	959491844	/nfs/dbraw/zinc/49/18/44/959491844.db2.gz	MDVAOBMFYYRTAM-JTQLQIEISA-N	-1	0	310.354	0.301	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cc2n(n1)CCCO2	ZINC001362510981	959497622	/nfs/dbraw/zinc/49/76/22/959497622.db2.gz	QZMNGGZVCHHRPR-UHFFFAOYSA-N	-1	0	313.317	0.876	20	30		DCEDRM
CCOC1CC(CCNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362655452	959776407	/nfs/dbraw/zinc/77/64/07/959776407.db2.gz	ZNIHPJAEZLGWFA-UHFFFAOYSA-N	-1	0	320.349	0.142	20	30		DCEDRM
CCN1C[C@H](NC(=O)c2cc(C#N)c(SC)[n-]c2=O)CC1=O	ZINC001362744355	959920438	/nfs/dbraw/zinc/92/04/38/959920438.db2.gz	UEGNIIKYTOAFSC-SECBINFHSA-N	-1	0	320.374	0.731	20	30		DCEDRM
CC(C)(C)C1CC(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362774030	959967875	/nfs/dbraw/zinc/96/78/75/959967875.db2.gz	AKTBMASFUSIOLF-UHFFFAOYSA-N	-1	0	304.350	0.761	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cc(Br)[nH]n2)[n-]c1C#N	ZINC001362865308	960106766	/nfs/dbraw/zinc/10/67/66/960106766.db2.gz	OMSCFJIABVWCFY-UHFFFAOYSA-N	-1	0	306.083	0.891	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCS(=O)(=O)CC[C@@H]1C	ZINC001362906385	960160671	/nfs/dbraw/zinc/16/06/71/960160671.db2.gz	NJOZZXPVNXLLBX-JTQLQIEISA-N	-1	0	323.374	0.617	20	30		DCEDRM
C#CC[C@H](COC)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001309733173	960207143	/nfs/dbraw/zinc/20/71/43/960207143.db2.gz	NAYWDUIPEXUTPC-SECBINFHSA-N	-1	0	314.319	0.617	20	30		DCEDRM
CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@@H]1CCC[C@@H]1C#N	ZINC001363126439	960440119	/nfs/dbraw/zinc/44/01/19/960440119.db2.gz	BBHSABKQWGTCHO-DGCLKSJQSA-N	-1	0	311.349	0.839	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H](CO)Cc2ccccc2)c(C#N)c1=O	ZINC001363135606	960455048	/nfs/dbraw/zinc/45/50/48/960455048.db2.gz	WMBCDRCGEOBCFG-LBPRGKRZSA-N	-1	0	314.345	0.208	20	30		DCEDRM
Cc1csc([C@H](C)CNc2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001363142055	960469409	/nfs/dbraw/zinc/46/94/09/960469409.db2.gz	JJHMOWHFQXKCAJ-SSDOTTSWSA-N	-1	0	305.363	0.926	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[n-]c1C#N	ZINC001363157655	960504036	/nfs/dbraw/zinc/50/40/36/960504036.db2.gz	MRAYLRUNPLQQRZ-SFYZADRCSA-N	-1	0	315.211	0.438	20	30		DCEDRM
COc1ncc(CCNC(=O)c2[n-]c(=O)c(C#N)cc2C)cn1	ZINC001363171676	960531112	/nfs/dbraw/zinc/53/11/12/960531112.db2.gz	ZZLCOHWCZMDDNB-UHFFFAOYSA-N	-1	0	313.317	0.738	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC001363236311	960671999	/nfs/dbraw/zinc/67/19/99/960671999.db2.gz	CUGZCNKFEYOOPF-LLVKDONJSA-N	-1	0	311.349	0.841	20	30		DCEDRM
CCC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCC1	ZINC001363279667	960772858	/nfs/dbraw/zinc/77/28/58/960772858.db2.gz	WLHPXOXXSSZDBS-GFCCVEGCSA-N	-1	0	304.350	0.906	20	30		DCEDRM
Cc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc(O)c1C	ZINC001363342512	960939603	/nfs/dbraw/zinc/93/96/03/960939603.db2.gz	RYVNAVRLARBUNT-UHFFFAOYSA-N	-1	0	314.301	0.782	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC001571086041	961062800	/nfs/dbraw/zinc/06/28/00/961062800.db2.gz	GXMMVWYIBIAXPE-GFCCVEGCSA-N	-1	0	304.368	0.479	20	30		DCEDRM
CCOC(=O)[C@@H](CSC)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363402415	961079813	/nfs/dbraw/zinc/07/98/13/961079813.db2.gz	OIGRUYCGPWALRT-SNVBAGLBSA-N	-1	0	323.374	0.992	20	30		DCEDRM
C[C@H](C(=O)NCC1(CC(=O)[O-])CCCC1)n1cnc(C#N)n1	ZINC001571087692	961086248	/nfs/dbraw/zinc/08/62/48/961086248.db2.gz	KNIQJHJUMOZAJZ-SNVBAGLBSA-N	-1	0	305.338	0.862	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(CCO)C[C@@H]1C	ZINC001363439962	961159815	/nfs/dbraw/zinc/15/98/15/961159815.db2.gz	HQASMCQTMBZPBQ-NSHDSACASA-N	-1	0	304.350	0.106	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)s1	ZINC001363448651	961176035	/nfs/dbraw/zinc/17/60/35/961176035.db2.gz	GHTQDNIIPKTVPP-UHFFFAOYSA-N	-1	0	307.335	0.719	20	30		DCEDRM
CC(C)(CC(=O)[O-])NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001588755894	961220127	/nfs/dbraw/zinc/22/01/27/961220127.db2.gz	COCZEWDQBJWICJ-OUKQBFOZSA-N	-1	0	309.322	0.272	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CCc2cscn2)c(=O)[n-]c1=O	ZINC001363480707	961242846	/nfs/dbraw/zinc/24/28/46/961242846.db2.gz	ABAZKYZOCSLOSL-UHFFFAOYSA-N	-1	0	319.346	0.026	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N1CC(C#N)C1	ZINC001571111265	961328953	/nfs/dbraw/zinc/32/89/53/961328953.db2.gz	IHIMJTJJLKSUSJ-SNVBAGLBSA-N	-1	0	311.338	0.726	20	30		DCEDRM
CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(Cc2ccc(C#N)cc2)C1	ZINC001571116941	961403701	/nfs/dbraw/zinc/40/37/01/961403701.db2.gz	PCVXRANMGHXLMY-GJZGRUSLSA-N	-1	0	313.357	0.922	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)C[C@@H]1CCCO1	ZINC001363591165	961505688	/nfs/dbraw/zinc/50/56/88/961505688.db2.gz	LSWSBYRTOPRPOO-NEPJUHHUSA-N	-1	0	305.334	0.627	20	30		DCEDRM
Cn1nnnc1-c1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC001574474181	961637665	/nfs/dbraw/zinc/63/76/65/961637665.db2.gz	KAZDVPYUQZKXKN-AWEZNQCLSA-N	-1	0	314.305	0.820	20	30		DCEDRM
N#CCCn1ccc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1	ZINC001574480144	961658846	/nfs/dbraw/zinc/65/88/46/961658846.db2.gz	BRHVAXXOQHYNJX-SNVBAGLBSA-N	-1	0	319.321	0.058	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(C[NH2+]C1(C(=O)[O-])CCCC1)cc2=O	ZINC001574493430	961718697	/nfs/dbraw/zinc/71/86/97/961718697.db2.gz	LUGMQQAZRKNBFV-UHFFFAOYSA-N	-1	0	301.306	0.794	20	30		DCEDRM
N#Cc1nc(NC(=O)COCC(=O)[O-])ccc1Br	ZINC001574494123	961725449	/nfs/dbraw/zinc/72/54/49/961725449.db2.gz	XRCXBDKPYVVLBM-UHFFFAOYSA-N	-1	0	314.095	0.755	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccc(F)cc1	ZINC001363813806	961945462	/nfs/dbraw/zinc/94/54/62/961945462.db2.gz	NOEKQFWZJKWIMM-SECBINFHSA-N	-1	0	316.292	0.837	20	30		DCEDRM
N#CC1(CS(=O)(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])CC1	ZINC001571164600	961978947	/nfs/dbraw/zinc/97/89/47/961978947.db2.gz	BWGAENDCRUYYKZ-GFCCVEGCSA-N	-1	0	324.358	0.742	20	30		DCEDRM
CNC(=O)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c(OC)c1	ZINC001574038345	962071250	/nfs/dbraw/zinc/07/12/50/962071250.db2.gz	FDYYJDGRAQJYQD-HNNXBMFYSA-N	-1	0	319.317	0.998	20	30		DCEDRM
Cc1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)ccc1O	ZINC001364106530	962482743	/nfs/dbraw/zinc/48/27/43/962482743.db2.gz	GSTSSQPNAMXGFD-UHFFFAOYSA-N	-1	0	314.301	0.265	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@]23C[C@@H]2CCCC3)c(=O)[n-]c1=O	ZINC001364107427	962486963	/nfs/dbraw/zinc/48/69/63/962486963.db2.gz	IVTVHFWVCPNHPV-NHYWBVRUSA-N	-1	0	302.334	0.517	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](CCO)c2ccccc2)c(C#N)c1=O	ZINC001364153085	962567808	/nfs/dbraw/zinc/56/78/08/962567808.db2.gz	WRMGGQFRNRIONL-GFCCVEGCSA-N	-1	0	300.318	0.481	20	30		DCEDRM
Cn1c(=O)[n-]c(N2C[C@H](O)C[C@H]2c2ccccc2)c(C#N)c1=O	ZINC001364203679	962662233	/nfs/dbraw/zinc/66/22/33/962662233.db2.gz	OHRXCBFAIKTBAT-YPMHNXCESA-N	-1	0	312.329	0.258	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)c1ccccc1	ZINC001573302828	962662483	/nfs/dbraw/zinc/66/24/83/962662483.db2.gz	QTOBBCRBGFRNRY-SNVBAGLBSA-N	-1	0	305.315	0.761	20	30		DCEDRM
Cc1ccsc1CNC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001364282319	962810947	/nfs/dbraw/zinc/81/09/47/962810947.db2.gz	UQZAFWMQOBHFLW-UHFFFAOYSA-N	-1	0	304.331	0.095	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)OC	ZINC001573332659	962838471	/nfs/dbraw/zinc/83/84/71/962838471.db2.gz	MPKJRTSEHQCTNF-RYUDHWBXSA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=C(Cl)CN1CCCO[C@@H](CNC(=O)CNC(=O)[O-])C1	ZINC001573339610	962893128	/nfs/dbraw/zinc/89/31/28/962893128.db2.gz	UHCLPGZMHKYTTM-JTQLQIEISA-N	-1	0	305.762	0.214	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)C2CC(NC(=O)CNC(=O)[O-])C2)C1	ZINC001573344316	962915844	/nfs/dbraw/zinc/91/58/44/962915844.db2.gz	SUTYYAVYJLSOGD-UHFFFAOYSA-N	-1	0	309.366	0.716	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)N1CC2(C1)CCN(C(=O)CNC(=O)[O-])C2	ZINC001573348634	962961081	/nfs/dbraw/zinc/96/10/81/962961081.db2.gz	YNABOKOPEBUPPM-LBPRGKRZSA-N	-1	0	323.393	0.917	20	30		DCEDRM
C=CCCC1(C(=O)N[C@H](C)CN(C)C(=O)CNC(=O)[O-])CC1	ZINC001573357757	963020688	/nfs/dbraw/zinc/02/06/88/963020688.db2.gz	SDLCCRAJPNGTID-LLVKDONJSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=CCCn1cc(C(=O)N(C)[C@H](COC2CCC2)C(=O)[O-])nn1	ZINC001573360058	963030342	/nfs/dbraw/zinc/03/03/42/963030342.db2.gz	FLHMLDXUYSDJRR-CYBMUJFWSA-N	-1	0	322.365	0.949	20	30		DCEDRM
C#CCCCC(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-]	ZINC001588435571	964024390	/nfs/dbraw/zinc/02/43/90/964024390.db2.gz	UYRFWOLQVSRWTA-WDEREUQCSA-N	-1	0	312.391	0.671	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588447024	964081174	/nfs/dbraw/zinc/08/11/74/964081174.db2.gz	CKGBSLQVMOSCPV-OLZOCXBDSA-N	-1	0	317.407	0.931	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2ccc(C#N)[nH]2)c1[O-]	ZINC001373407281	969053849	/nfs/dbraw/zinc/05/38/49/969053849.db2.gz	MUPNJXMTIJKKQI-UHFFFAOYSA-N	-1	0	316.321	0.126	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC001609623860	970423569	/nfs/dbraw/zinc/42/35/69/970423569.db2.gz	KRZMMHWZCZLBMY-CYBMUJFWSA-N	-1	0	304.346	0.185	20	30		DCEDRM
C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001609636844	970430569	/nfs/dbraw/zinc/43/05/69/970430569.db2.gz	LRTCZUOXOPPPRO-LLVKDONJSA-N	-1	0	319.365	0.611	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1	ZINC001609691214	970447210	/nfs/dbraw/zinc/44/72/10/970447210.db2.gz	BNQXKDYYQRYWDB-ZWNOBZJWSA-N	-1	0	316.379	0.417	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)nc1	ZINC001610628564	970757300	/nfs/dbraw/zinc/75/73/00/970757300.db2.gz	KBSJEDPUWOLDOX-UHFFFAOYSA-N	-1	0	324.296	0.906	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001605064237	972680719	/nfs/dbraw/zinc/68/07/19/972680719.db2.gz	FGKAFGGFHAKMKT-GFCCVEGCSA-N	-1	0	318.333	0.390	20	30		DCEDRM
N#CCSc1ccccc1C(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC000395335643	972790909	/nfs/dbraw/zinc/79/09/09/972790909.db2.gz	WFIBBCXZKNCJGA-CQSZACIVSA-N	-1	0	306.343	0.964	20	30		DCEDRM
Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001605224768	972976872	/nfs/dbraw/zinc/97/68/72/972976872.db2.gz	ZWJUGWBXHVBWTP-NSHDSACASA-N	-1	0	313.273	0.911	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)NCCOCCOCC(=O)[O-]	ZINC001605245126	973010486	/nfs/dbraw/zinc/01/04/86/973010486.db2.gz	YBYLBGYJFQKNEE-UHFFFAOYSA-N	-1	0	306.318	0.714	20	30		DCEDRM
C[C@@H]1CCCN(C(=O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001603408074	973077356	/nfs/dbraw/zinc/07/73/56/973077356.db2.gz	ZLDMQKSKUNAQRY-ABAIWWIYSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCC(=O)N(CC#N)c1ccccc1	ZINC001604461258	973303077	/nfs/dbraw/zinc/30/30/77/973303077.db2.gz	GUGHAUMLANAKRQ-HNNXBMFYSA-N	-1	0	320.301	0.576	20	30		DCEDRM
Cc1ccc(CN(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)nc1	ZINC001448936521	1014101841	/nfs/dbraw/zinc/10/18/41/1014101841.db2.gz	TZGVIHDTSZYNHI-UHFFFAOYSA-N	-1	0	313.317	0.183	20	30		DCEDRM
CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCCCCC#N)C1	ZINC001603594124	973817110	/nfs/dbraw/zinc/81/71/10/973817110.db2.gz	PIPBVZLMBAGEAD-OAHLLOKOSA-N	-1	0	309.366	0.900	20	30		DCEDRM
Cn1nccc1[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC001605569628	973823911	/nfs/dbraw/zinc/82/39/11/973823911.db2.gz	FSHUXMSALOPEIZ-SMDDNHRTSA-N	-1	0	306.322	0.325	20	30		DCEDRM
N#Cc1ccc(F)c(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1	ZINC001605611138	973914645	/nfs/dbraw/zinc/91/46/45/973914645.db2.gz	HEVCLKBXIDBSRY-GFCCVEGCSA-N	-1	0	312.322	0.381	20	30		DCEDRM
N#Cc1cccc(-c2nnc(CN[C@@]3(C(=O)[O-])CCOC3)o2)c1	ZINC001605617544	973935080	/nfs/dbraw/zinc/93/50/80/973935080.db2.gz	LIDFDEDOMJPOAJ-HNNXBMFYSA-N	-1	0	314.301	0.942	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CC2CCCCCC2)c1=O	ZINC001605622829	973943310	/nfs/dbraw/zinc/94/33/10/973943310.db2.gz	CTKLKMBORLYPMG-UHFFFAOYSA-N	-1	0	305.334	0.937	20	30		DCEDRM
CCOC(=O)[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC12COC2	ZINC001603792159	974250337	/nfs/dbraw/zinc/25/03/37/974250337.db2.gz	IYUTVIPRNRGEMJ-YGRLFVJLSA-N	-1	0	324.333	0.029	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl	ZINC000717436699	977900255	/nfs/dbraw/zinc/90/02/55/977900255.db2.gz	COHUDSPCTHIEPA-MRVPVSSYSA-N	-1	0	305.739	0.863	20	30		DCEDRM
C[C@](CO)(NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC001592755247	979328615	/nfs/dbraw/zinc/32/86/15/979328615.db2.gz	CBEDQPQIEWBULF-LLVKDONJSA-N	-1	0	318.738	0.326	20	30		DCEDRM
C[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1ncc(C(=O)[O-])s1	ZINC001592990288	980177934	/nfs/dbraw/zinc/17/79/34/980177934.db2.gz	PIVKFLNTKLONAH-RQJHMYQMSA-N	-1	0	320.334	0.743	20	30		DCEDRM
CC[C@H]1CCCCN1C(=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001595447692	981096674	/nfs/dbraw/zinc/09/66/74/981096674.db2.gz	IXWFGBFTHARRRF-LBPRGKRZSA-N	-1	0	321.377	0.994	20	30		DCEDRM
CC[C@@H](C(=O)[O-])C(=O)N1CCN(c2ncccc2C#N)CC1	ZINC001594745529	981632509	/nfs/dbraw/zinc/63/25/09/981632509.db2.gz	VESGCEXDDNWIHU-GFCCVEGCSA-N	-1	0	302.334	0.713	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC001573554246	983060778	/nfs/dbraw/zinc/06/07/78/983060778.db2.gz	QPEGGHXGKJUWCE-BQBZGAKWSA-N	-1	0	310.335	0.719	20	30		DCEDRM
CCC[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001595995100	983251416	/nfs/dbraw/zinc/25/14/16/983251416.db2.gz	ZSBRSYNCVJKDRO-GFCCVEGCSA-N	-1	0	303.318	0.658	20	30		DCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)[O-]	ZINC001588368929	983308635	/nfs/dbraw/zinc/30/86/35/983308635.db2.gz	VSAIUEREAHXNDT-QMMMGPOBSA-N	-1	0	311.315	0.471	20	30		DCEDRM
C#CC1(O)CCN(S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)CC1	ZINC001588379744	983365237	/nfs/dbraw/zinc/36/52/37/983365237.db2.gz	PYGINUSDRHDTJZ-UHFFFAOYSA-N	-1	0	324.358	0.237	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1	ZINC001588384094	983386877	/nfs/dbraw/zinc/38/68/77/983386877.db2.gz	VHCCMBRZODXTJA-SNVBAGLBSA-N	-1	0	323.736	0.977	20	30		DCEDRM
C#CCC(CC#C)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001588390458	983394431	/nfs/dbraw/zinc/39/44/31/983394431.db2.gz	VLGZNERTEKDVLO-QWHCGFSZSA-N	-1	0	305.330	0.514	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588393254	983397204	/nfs/dbraw/zinc/39/72/04/983397204.db2.gz	DWQKRNUNYJHONV-XWAURUHHSA-N	-1	0	310.350	0.082	20	30		DCEDRM
C#CC[C@H](NC(=O)C(=O)c1cnn(-c2ccccc2)c1)C(=O)[O-]	ZINC001588393973	983400761	/nfs/dbraw/zinc/40/07/61/983400761.db2.gz	HZZGHAYROPPXQK-ZDUSSCGKSA-N	-1	0	311.297	0.648	20	30		DCEDRM
C#CC[C@@H](COC)NS(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC001588395837	983406874	/nfs/dbraw/zinc/40/68/74/983406874.db2.gz	UFVJOKCKAHCNJT-VIFPVBQESA-N	-1	0	315.347	0.857	20	30		DCEDRM
C#CC[C@H](Cc1ccccc1)NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC001588396630	983409555	/nfs/dbraw/zinc/40/95/55/983409555.db2.gz	ZXUGTKACMFHSPJ-CYBMUJFWSA-N	-1	0	312.329	0.727	20	30		DCEDRM
C#CC[C@@H](NC(=O)OC1CN(C(=O)OC(C)(C)C)C1)C(=O)[O-]	ZINC001588407230	983427653	/nfs/dbraw/zinc/42/76/53/983427653.db2.gz	FFSRFWGGZJXSEN-SNVBAGLBSA-N	-1	0	312.322	0.808	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])C1	ZINC001588430659	983463670	/nfs/dbraw/zinc/46/36/70/983463670.db2.gz	ANCDZYOAVKWHBV-OLZOCXBDSA-N	-1	0	306.362	0.714	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)C1CCCC1	ZINC001588457770	983482333	/nfs/dbraw/zinc/48/23/33/983482333.db2.gz	HJPPETYPVMERHK-SJCJKPOMSA-N	-1	0	320.389	0.960	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001588465996	983497780	/nfs/dbraw/zinc/49/77/80/983497780.db2.gz	QPRKBPOAINHTQN-VIFPVBQESA-N	-1	0	302.302	0.396	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)NCC2(C(=O)[O-])CC2)CC1	ZINC001588479620	983521028	/nfs/dbraw/zinc/52/10/28/983521028.db2.gz	WNACKDZBNNARNZ-UHFFFAOYSA-N	-1	0	307.350	0.022	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1OC	ZINC001588490220	983531159	/nfs/dbraw/zinc/53/11/59/983531159.db2.gz	ITQDLIGMAYOAPJ-HZMBPMFUSA-N	-1	0	321.329	0.984	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)N1CC(O)(C(=O)[O-])C1	ZINC001588497890	983541973	/nfs/dbraw/zinc/54/19/73/983541973.db2.gz	IWYQDGHGZGKPML-UHFFFAOYSA-N	-1	0	308.265	0.501	20	30		DCEDRM
C#Cc1cncc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1	ZINC001588528598	983577102	/nfs/dbraw/zinc/57/71/02/983577102.db2.gz	CKHMZPDKHYNCCS-GFCCVEGCSA-N	-1	0	311.301	0.440	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588530157	983583514	/nfs/dbraw/zinc/58/35/14/983583514.db2.gz	SKCFCHJDJCSUNH-NWDGAFQWSA-N	-1	0	308.378	0.980	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588535964	983591706	/nfs/dbraw/zinc/59/17/06/983591706.db2.gz	MXWCYBWUHLSAQD-QWRGUYRKSA-N	-1	0	305.396	0.998	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1Cn1nnnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588536971	983596652	/nfs/dbraw/zinc/59/66/52/983596652.db2.gz	WDKNQLUABSBIAE-XQHKEYJVSA-N	-1	0	321.381	0.811	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1ncc(C(N)=O)cc1Cl)C(=O)[O-]	ZINC001588547431	983619951	/nfs/dbraw/zinc/61/99/51/983619951.db2.gz	JRSHJTFCOOVPNV-VIFPVBQESA-N	-1	0	311.725	0.983	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(=O)OC	ZINC001588555843	983637421	/nfs/dbraw/zinc/63/74/21/983637421.db2.gz	UMCDLHIFFCCBSO-VWYCJHECSA-N	-1	0	319.379	0.667	20	30		DCEDRM
C=C(C)COCCNC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588570024	983650621	/nfs/dbraw/zinc/65/06/21/983650621.db2.gz	SHWOCMMXFBUOSJ-WDEREUQCSA-N	-1	0	314.338	0.094	20	30		DCEDRM
C=C(C)Cn1c([C@@H](C)O)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588598977	983687348	/nfs/dbraw/zinc/68/73/48/983687348.db2.gz	BOVYYZBHQNIYMB-MXWKQRLJSA-N	-1	0	310.354	0.586	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(NS(=O)(=O)CC)CC1	ZINC001588614475	983707855	/nfs/dbraw/zinc/70/78/55/983707855.db2.gz	WOLPSAXQBHURBJ-UHFFFAOYSA-N	-1	0	318.395	0.338	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC1CCN(c2cccnn2)CC1	ZINC001588623623	983729005	/nfs/dbraw/zinc/72/90/05/983729005.db2.gz	UGJITKBTRPQMAK-UHFFFAOYSA-N	-1	0	304.350	0.983	20	30		DCEDRM
C=C[C@](C)(O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1	ZINC001588683438	983848849	/nfs/dbraw/zinc/84/88/49/983848849.db2.gz	ZXZFCOKHTRLGKC-ZDUSSCGKSA-N	-1	0	313.331	0.664	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001588684074	983854798	/nfs/dbraw/zinc/85/47/98/983854798.db2.gz	KLAJJFQRUTUPNN-AWEZNQCLSA-N	-1	0	308.338	0.467	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCCN(CC)c1ccnc(C(=O)[O-])n1	ZINC001588684466	983859424	/nfs/dbraw/zinc/85/94/24/983859424.db2.gz	RGBPVTMPRDODMG-OAHLLOKOSA-N	-1	0	322.365	0.444	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCC[C@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001588684894	983865187	/nfs/dbraw/zinc/86/51/87/983865187.db2.gz	ZYAYWUNMAMLWIX-ZUZCIYMTSA-N	-1	0	322.365	0.809	20	30		DCEDRM
C=C[C@@H](OC(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001588710712	983933773	/nfs/dbraw/zinc/93/37/73/983933773.db2.gz	HZILCSLZYRFACE-GXSJLCMTSA-N	-1	0	307.306	0.346	20	30		DCEDRM
C=C[C@H](OC(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001588710715	983933900	/nfs/dbraw/zinc/93/39/00/983933900.db2.gz	HZILCSLZYRFACE-ONGXEEELSA-N	-1	0	307.306	0.346	20	30		DCEDRM
C=C[C@@H](OC(=O)Cc1c(Br)cnn1C)C(=O)[O-]	ZINC001588712388	983943693	/nfs/dbraw/zinc/94/36/93/983943693.db2.gz	VRGJHIQVDLDEKP-MRVPVSSYSA-N	-1	0	303.112	0.908	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C(=O)OCC	ZINC001588749646	984067531	/nfs/dbraw/zinc/06/75/31/984067531.db2.gz	NYVQDNBDQAZNDJ-VIFPVBQESA-N	-1	0	305.352	0.421	20	30		DCEDRM
C=CCCC(=O)NC[C@@H]1COCCN1c1ncc(C(=O)[O-])cn1	ZINC001588773999	984150327	/nfs/dbraw/zinc/15/03/27/984150327.db2.gz	OFAMDGQHEXOPTD-GFCCVEGCSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)[O-]	ZINC001588788437	984189592	/nfs/dbraw/zinc/18/95/92/984189592.db2.gz	CEOAINFPVDWQQR-SECBINFHSA-N	-1	0	311.338	0.243	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)nn1	ZINC001588817228	984275260	/nfs/dbraw/zinc/27/52/60/984275260.db2.gz	FZPCWGFXRVDGEM-GFCCVEGCSA-N	-1	0	301.306	0.805	20	30		DCEDRM
C=CCN(C(=O)C(=C)CCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC001588820113	984282392	/nfs/dbraw/zinc/28/23/92/984282392.db2.gz	QUSJFECRNYQBPF-LLVKDONJSA-N	-1	0	301.364	0.609	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC001588822385	984289819	/nfs/dbraw/zinc/28/98/19/984289819.db2.gz	JOKIKJNXBARLAW-LBPRGKRZSA-N	-1	0	304.302	0.510	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C(=O)[O-])cn2)C1=O	ZINC001588836945	984331021	/nfs/dbraw/zinc/33/10/21/984331021.db2.gz	NHHHVKHVKVIPBV-GFCCVEGCSA-N	-1	0	303.318	0.639	20	30		DCEDRM
C=CCNC(=O)[C@H](C)n1cc(CN2CCCC[C@H]2C(=O)[O-])nn1	ZINC001588838276	984336214	/nfs/dbraw/zinc/33/62/14/984336214.db2.gz	CYJNFWHNTBQIRF-AAEUAGOBSA-N	-1	0	321.381	0.580	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588849949	984376747	/nfs/dbraw/zinc/37/67/47/984376747.db2.gz	QFKFRZPOAGFXRR-MNOVXSKESA-N	-1	0	320.349	0.058	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C(=O)NCc1ccc(F)cc1)C(=O)[O-]	ZINC001588850930	984381448	/nfs/dbraw/zinc/38/14/48/984381448.db2.gz	KQDJTMWWXNNPNC-GFCCVEGCSA-N	-1	0	324.308	0.214	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)/C=C\COC1CCOCC1)C(=O)[O-]	ZINC001588853750	984385525	/nfs/dbraw/zinc/38/55/25/984385525.db2.gz	HHNAAQWDYOSLKV-DHCBQETCSA-N	-1	0	313.350	0.510	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1c[nH]c2cnccc12)C(=O)[O-]	ZINC001588856956	984402505	/nfs/dbraw/zinc/40/25/05/984402505.db2.gz	UANAHSQLUQVQTA-CYBMUJFWSA-N	-1	0	303.318	0.877	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C(=O)OC)s1)C(=O)[O-]	ZINC001588859347	984404997	/nfs/dbraw/zinc/40/49/97/984404997.db2.gz	IQTIXPGYBSFJHO-MRVPVSSYSA-N	-1	0	313.331	0.920	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc2n(n1)CCC[C@H]2O)C(=O)[O-]	ZINC001588859565	984406483	/nfs/dbraw/zinc/40/64/83/984406483.db2.gz	QBXZWLKKNANOHX-CMPLNLGQSA-N	-1	0	309.322	0.096	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)C[C@@H]1CCC1(F)F)C(=O)[O-]	ZINC001588865853	984420657	/nfs/dbraw/zinc/42/06/57/984420657.db2.gz	DKEWYZYKBMSPAH-DTWKUNHWSA-N	-1	0	313.322	0.607	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccccc1C=O)C(=O)[O-]	ZINC001588866615	984426697	/nfs/dbraw/zinc/42/66/97/984426697.db2.gz	NNVMYZALWQFHKP-NSHDSACASA-N	-1	0	313.331	0.433	20	30		DCEDRM
C=CCOCCCC(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588867123	984430402	/nfs/dbraw/zinc/43/04/02/984430402.db2.gz	ZHQRXTRCVSTKSR-RYUDHWBXSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=CCONC(=O)Nc1ccc(C(=O)[O-])cc1OCC(=O)NC	ZINC001588868790	984435233	/nfs/dbraw/zinc/43/52/33/984435233.db2.gz	WWPLNKMPQLFWIP-UHFFFAOYSA-N	-1	0	323.305	0.749	20	30		DCEDRM
C=CCOc1ccc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1OC	ZINC001588869593	984439821	/nfs/dbraw/zinc/43/98/21/984439821.db2.gz	NVMKCFHHYVIBJA-VXGBXAGGSA-N	-1	0	321.329	0.920	20	30		DCEDRM
C=CCn1c(-c2cocn2)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588890322	984485815	/nfs/dbraw/zinc/48/58/15/984485815.db2.gz	YGVGFWBIJAUBSG-JTQLQIEISA-N	-1	0	319.321	0.799	20	30		DCEDRM
C=CCn1c(CCC)nnc1N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588897920	984514509	/nfs/dbraw/zinc/51/45/09/984514509.db2.gz	PGIGQSCATCXMFA-QWRGUYRKSA-N	-1	0	322.365	0.727	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588900153	984520108	/nfs/dbraw/zinc/52/01/08/984520108.db2.gz	BQQWSXYYVZTASL-QMTHXVAHSA-N	-1	0	310.354	0.067	20	30		DCEDRM
C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588900907	984522318	/nfs/dbraw/zinc/52/23/18/984522318.db2.gz	OUSNZDVXQINHDX-NSHDSACASA-N	-1	0	316.365	0.997	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588901325	984523407	/nfs/dbraw/zinc/52/34/07/984523407.db2.gz	UIOKIJUWMWYSCP-KGYLQXTDSA-N	-1	0	320.393	0.934	20	30		DCEDRM
C=CCn1c(N2CC[C@](F)(C(=O)[O-])C2)nnc1C1(O)CCC1	ZINC001588904595	984531274	/nfs/dbraw/zinc/53/12/74/984531274.db2.gz	XAAAGLKSYHYSNE-CYBMUJFWSA-N	-1	0	310.329	0.839	20	30		DCEDRM
C=CCn1cc(CNC(=O)Nc2cccc(C(=O)[O-])n2)nn1	ZINC001588909136	984542249	/nfs/dbraw/zinc/54/22/49/984542249.db2.gz	LKEJHVGUECPRMH-UHFFFAOYSA-N	-1	0	302.294	0.879	20	30		DCEDRM
C=CCn1cc(CNC(=O)Nc2ccn(CC(=O)[O-])n2)nn1	ZINC001588909130	984542404	/nfs/dbraw/zinc/54/24/04/984542404.db2.gz	KXPUZPQDRRBZFU-UHFFFAOYSA-N	-1	0	305.298	0.067	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])nn1	ZINC001588909861	984545987	/nfs/dbraw/zinc/54/59/87/984545987.db2.gz	CAMBAUPQQQOYMC-VIFPVBQESA-N	-1	0	307.335	0.346	20	30		DCEDRM
CCOC(=O)CCC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001596600090	984552738	/nfs/dbraw/zinc/55/27/38/984552738.db2.gz	JCXVKECXQHRAHU-UHFFFAOYSA-N	-1	0	306.274	0.331	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001588919989	984575750	/nfs/dbraw/zinc/57/57/50/984575750.db2.gz	QUZPYGAKEKHCCQ-ZJUUUORDSA-N	-1	0	300.336	0.345	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC001588925901	984589971	/nfs/dbraw/zinc/58/99/71/984589971.db2.gz	ZRGPIPIOSQGFDZ-SNVBAGLBSA-N	-1	0	315.322	0.577	20	30		DCEDRM
CCOC(=O)c1cc(CN2CCC(C#N)(C(=O)[O-])CC2)[nH]n1	ZINC001596703869	984892873	/nfs/dbraw/zinc/89/28/73/984892873.db2.gz	GXIVMOALFHJTIT-UHFFFAOYSA-N	-1	0	306.322	0.777	20	30		DCEDRM
Cc1nc(=O)[nH]c(SCC(=O)NC2(C#N)CCC2)c1C(=O)[O-]	ZINC001599941791	985463938	/nfs/dbraw/zinc/46/39/38/985463938.db2.gz	UPLGIQXBTXYRAT-UHFFFAOYSA-N	-1	0	322.346	0.843	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001599942928	985477753	/nfs/dbraw/zinc/47/77/53/985477753.db2.gz	WZPVKGKMPDLWSH-LLVKDONJSA-N	-1	0	304.306	0.000	20	30		DCEDRM
Cc1c(C#N)c(=O)n(Cc2cc(C(=O)[O-])cs2)c(=O)n1C	ZINC001599973957	986057398	/nfs/dbraw/zinc/05/73/98/986057398.db2.gz	GVPFKVQNAULNGI-UHFFFAOYSA-N	-1	0	305.315	0.535	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001589329558	986164779	/nfs/dbraw/zinc/16/47/79/986164779.db2.gz	PKQOWJPBUPYACY-ZETOZRRWSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@]1(C)CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001589329779	986167168	/nfs/dbraw/zinc/16/71/68/986167168.db2.gz	SFVUTEXPUPLVAP-YMTOWFKASA-N	-1	0	303.322	0.419	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCS(=O)(=O)C(C)C	ZINC001450760047	1015341955	/nfs/dbraw/zinc/34/19/55/1015341955.db2.gz	OPAOWHWVSQIRSU-UHFFFAOYSA-N	-1	0	311.363	0.520	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H](CF)C(=O)[O-]	ZINC001589866401	988471464	/nfs/dbraw/zinc/47/14/64/988471464.db2.gz	FBYJTJDJZHMNQX-ISVAXAHUSA-N	-1	0	302.302	0.787	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(C)CC#CCN1C(=O)c2ccccc2C1=O	ZINC001599830670	988668832	/nfs/dbraw/zinc/66/88/32/988668832.db2.gz	PTPHLTGMHCMXCD-NSHDSACASA-N	-1	0	300.314	0.691	20	30		DCEDRM
C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2C#N)C[C@@H](C(=O)[O-])O1	ZINC001599869019	989318390	/nfs/dbraw/zinc/31/83/90/989318390.db2.gz	QFEGQYUVMANWLP-HQJQHLMTSA-N	-1	0	306.278	0.727	20	30		DCEDRM
CC(C)(CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)CC(=O)[O-]	ZINC001590717187	990481871	/nfs/dbraw/zinc/48/18/71/990481871.db2.gz	KSTCCLYKYAEXRJ-LBPRGKRZSA-N	-1	0	308.382	0.869	20	30		DCEDRM
COc1ncc(NC(=O)NC[C@]2(C(=O)[O-])CCOC2)cc1C#N	ZINC001599734968	991760977	/nfs/dbraw/zinc/76/09/77/991760977.db2.gz	YJPMCESKZJJNMN-CQSZACIVSA-N	-1	0	320.305	0.575	20	30		DCEDRM
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001598469195	991997896	/nfs/dbraw/zinc/99/78/96/991997896.db2.gz	YLTBXAFBVXUANK-CQSZACIVSA-N	-1	0	308.338	0.054	20	30		DCEDRM
CC(C)N1C[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1=O	ZINC001591609952	992853704	/nfs/dbraw/zinc/85/37/04/992853704.db2.gz	DYFBUDNNSNSXON-NSHDSACASA-N	-1	0	322.365	0.396	20	30		DCEDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc(F)c(C#N)c(F)c2)CC1=O	ZINC001598563722	993118046	/nfs/dbraw/zinc/11/80/46/993118046.db2.gz	VRNZBUYWVXEKGY-NSHDSACASA-N	-1	0	323.255	0.204	20	30		DCEDRM
CN1CCC[C@H]1c1cc(C(=O)N(CC#N)CCC(=O)[O-])n[nH]1	ZINC001598595283	993495998	/nfs/dbraw/zinc/49/59/98/993495998.db2.gz	UELSOYDVTIEAGL-LBPRGKRZSA-N	-1	0	305.338	0.617	20	30		DCEDRM
COc1ccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C#N	ZINC001599594980	993737256	/nfs/dbraw/zinc/73/72/56/993737256.db2.gz	PPTPVJXUJLXIFF-GFCCVEGCSA-N	-1	0	305.290	0.884	20	30		DCEDRM
CN1CCOc2ccc(C(=O)N(CC#N)CCC(=O)[O-])cc21	ZINC001598624569	994065671	/nfs/dbraw/zinc/06/56/71/994065671.db2.gz	DRXJISIOIHZVSR-UHFFFAOYSA-N	-1	0	303.318	0.956	20	30		DCEDRM
COC(=O)[C@@]1(O)CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001598723721	995505022	/nfs/dbraw/zinc/50/50/22/995505022.db2.gz	BCXJLDIVLBYFEV-IUODEOHRSA-N	-1	0	304.302	0.294	20	30		DCEDRM
CC(C)c1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)no1	ZINC001465491066	1016006400	/nfs/dbraw/zinc/00/64/00/1016006400.db2.gz	GPYDKVXHGOQKHN-UHFFFAOYSA-N	-1	0	303.278	0.571	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@@H]1C(=O)[O-]	ZINC001598806012	996187881	/nfs/dbraw/zinc/18/78/81/996187881.db2.gz	GJLQVVJBPNMYJH-WDEREUQCSA-N	-1	0	308.334	0.793	20	30		DCEDRM
C[C@@]1(C#N)CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CCO1	ZINC001593743624	996369514	/nfs/dbraw/zinc/36/95/14/996369514.db2.gz	WSTIISAPNPALSV-OAHLLOKOSA-N	-1	0	303.318	0.938	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2cc(C#N)nc(C3CC3)n2)C[C@@H]1C(=O)[O-]	ZINC001598826574	996389269	/nfs/dbraw/zinc/38/92/69/996389269.db2.gz	JCZFZOGZAHMXIT-WDEREUQCSA-N	-1	0	316.317	0.536	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(C)c2C#N)C1	ZINC001599078685	996941649	/nfs/dbraw/zinc/94/16/49/996941649.db2.gz	IQNNUOALMGIMDY-CQSZACIVSA-N	-1	0	324.358	0.731	20	30		DCEDRM
COC(=O)c1c(N)sc(C(=O)[O-])c1Cn1cnc(C#N)n1	ZINC001598914026	997423241	/nfs/dbraw/zinc/42/32/41/997423241.db2.gz	IVBNFDTZOXLYAE-UHFFFAOYSA-N	-1	0	307.291	0.327	20	30		DCEDRM
CON=Cc1ccc(C(=O)N[C@H](CC(=O)OC)C(=O)[O-])cc1	ZINC001599320595	997574265	/nfs/dbraw/zinc/57/42/65/997574265.db2.gz	KXXSVFXWEIUACO-LLVKDONJSA-N	-1	0	308.290	0.413	20	30		DCEDRM
CO[C@H]1CCN(C(=O)c2cc(C)c(C#N)cn2)[C@@H](C(=O)[O-])C1	ZINC001599121228	997742286	/nfs/dbraw/zinc/74/22/86/997742286.db2.gz	UIZQGALEKLNAQQ-WCQYABFASA-N	-1	0	303.318	0.966	20	30		DCEDRM
COCCN(CC#N)C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001599230773	997848977	/nfs/dbraw/zinc/84/89/77/997848977.db2.gz	AWULECUVJYFHDR-UHFFFAOYSA-N	-1	0	321.333	0.765	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001467508407	1016174829	/nfs/dbraw/zinc/17/48/29/1016174829.db2.gz	LPYNXZLWNGOUNZ-SNVBAGLBSA-N	-1	0	308.338	0.726	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001599349273	998065154	/nfs/dbraw/zinc/06/51/54/998065154.db2.gz	MFWKMOKQJRPCLE-YPMHNXCESA-N	-1	0	304.302	0.617	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NCc2ccnc(C#N)c2)cc1=O	ZINC001467727190	1016194941	/nfs/dbraw/zinc/19/49/41/1016194941.db2.gz	ZNBOPGPJOIITOU-UHFFFAOYSA-N	-1	0	313.361	0.958	20	30		DCEDRM
C[C@@H]1C(=O)N(C)S(=O)(=O)N1Cc1cccc(C(=O)[O-])c1C#N	ZINC001594130055	998337001	/nfs/dbraw/zinc/33/70/01/998337001.db2.gz	XPGJBMLVAJKUJS-MRVPVSSYSA-N	-1	0	323.330	0.164	20	30		DCEDRM
COC(=O)c1cccc(CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1C#N	ZINC001598996596	998785893	/nfs/dbraw/zinc/78/58/93/998785893.db2.gz	WEFFRZJYJNODAD-ZIAGYGMSSA-N	-1	0	318.329	0.755	20	30		DCEDRM
CCOC(=O)[C@H](F)C1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001468439612	1016255492	/nfs/dbraw/zinc/25/54/92/1016255492.db2.gz	IBCPQUABAZBJRD-LLVKDONJSA-N	-1	0	321.308	0.941	20	30		DCEDRM
COC(=O)c1sc(N)c(C(=O)[O-])c1Cn1ccnc1C#N	ZINC001599021236	998981177	/nfs/dbraw/zinc/98/11/77/998981177.db2.gz	VPCLKLJDYGWFEW-UHFFFAOYSA-N	-1	0	306.303	0.932	20	30		DCEDRM
N#Cc1ncn(-c2ccccc2NC(=O)c2c[n-]ncc2=O)n1	ZINC001468715444	1016274428	/nfs/dbraw/zinc/27/44/28/1016274428.db2.gz	BFQSVDUPIYYGFN-UHFFFAOYSA-N	-1	0	307.273	0.887	20	30		DCEDRM
C[C@H]1C[C@H]1c1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n[nH]1	ZINC001469428603	1016334139	/nfs/dbraw/zinc/33/41/39/1016334139.db2.gz	LFIBFLYCMOJSII-IONNQARKSA-N	-1	0	314.305	0.306	20	30		DCEDRM
CC[C@H]1COC(C)(C)CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001469863190	1016370070	/nfs/dbraw/zinc/37/00/70/1016370070.db2.gz	QWEJBLFCPNIPNK-NSHDSACASA-N	-1	0	320.349	0.237	20	30		DCEDRM
CC1(C)SC[C@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001469918914	1016371730	/nfs/dbraw/zinc/37/17/30/1016371730.db2.gz	KSFJAOKIWXONJR-SECBINFHSA-N	-1	0	323.378	0.014	20	30		DCEDRM
CC(C)[C@]1(C)C[C@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001470361886	1016424425	/nfs/dbraw/zinc/42/44/25/1016424425.db2.gz	ZRVFLSINSFSJHW-NHYWBVRUSA-N	-1	0	304.350	0.619	20	30		DCEDRM
Cc1cccc(F)c1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001470360930	1016425095	/nfs/dbraw/zinc/42/50/95/1016425095.db2.gz	LYRODRRAZSPTGW-UHFFFAOYSA-N	-1	0	316.292	0.698	20	30		DCEDRM
Cc1onc(CC(=O)N(Cc2nnn[n-]2)CC(C)C)c1C#N	ZINC001419136920	1000807371	/nfs/dbraw/zinc/80/73/71/1000807371.db2.gz	LUZHKBOEHIVZHH-UHFFFAOYSA-N	-1	0	303.326	0.595	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1	ZINC001470935254	1016502560	/nfs/dbraw/zinc/50/25/60/1016502560.db2.gz	NYFVDNCLAXXBCK-LLVKDONJSA-N	-1	0	302.269	0.424	20	30		DCEDRM
CN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@H]1CCC[C@H]1C#N	ZINC001471050569	1016514658	/nfs/dbraw/zinc/51/46/58/1016514658.db2.gz	MOIJTTIBFQJJDK-JOYOIKCWSA-N	-1	0	323.374	0.804	20	30		DCEDRM
CCC(O)(CC)C(C)(C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001471325299	1016557060	/nfs/dbraw/zinc/55/70/60/1016557060.db2.gz	YSILMJBPOIOHII-UHFFFAOYSA-N	-1	0	322.365	0.266	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C3(C#N)CCCC3)C2)c(=O)[n-]c1=O	ZINC001420657967	1002763890	/nfs/dbraw/zinc/76/38/90/1002763890.db2.gz	HGWMUARFQIJKHO-UHFFFAOYSA-N	-1	0	313.317	0.288	20	30		DCEDRM
C[C@@H](CCO)C1(CNc2[n-]c(=O)n(C)c(=O)c2C#N)CCC1	ZINC001421087699	1003305546	/nfs/dbraw/zinc/30/55/46/1003305546.db2.gz	LIQVNRWWBOJJFQ-JTQLQIEISA-N	-1	0	306.366	0.546	20	30		DCEDRM
CS[C@H]1C[C@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001428048123	1003674979	/nfs/dbraw/zinc/67/49/79/1003674979.db2.gz	RUZWEKCUGYPFGK-MGCOHNPYSA-N	-1	0	323.378	0.014	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[nH]1	ZINC001505983278	1016819972	/nfs/dbraw/zinc/81/99/72/1016819972.db2.gz	ADVWXNJAXAOBAG-RYUDHWBXSA-N	-1	0	309.414	0.647	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCOc2ccc(F)cc2F)c(C#N)c1=O	ZINC001472717434	1016847955	/nfs/dbraw/zinc/84/79/55/1016847955.db2.gz	DYYGBCGAVHRJLY-UHFFFAOYSA-N	-1	0	322.271	0.714	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@](C)(O)c2cccs2)c(C#N)c1=O	ZINC001472701234	1016847124	/nfs/dbraw/zinc/84/71/24/1016847124.db2.gz	JHKLKMJRYHSXAK-ZDUSSCGKSA-N	-1	0	306.347	0.326	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](CO)c2ccc(F)cc2)c(C#N)c1=O	ZINC001472790908	1016853665	/nfs/dbraw/zinc/85/36/65/1016853665.db2.gz	MZUZMCVPSAYKCA-LLVKDONJSA-N	-1	0	304.281	0.230	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001427437040	1004385229	/nfs/dbraw/zinc/38/52/29/1004385229.db2.gz	CDPVNWBLMREGEU-PSASIEDQSA-N	-1	0	305.338	0.256	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)CCCc2nnn[n-]2)cc1	ZINC001417631803	1005855869	/nfs/dbraw/zinc/85/58/69/1005855869.db2.gz	SVZXFNLFEXJATC-UHFFFAOYSA-N	-1	0	300.322	0.741	20	30		DCEDRM
Cc1cc(C)c(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001453839782	1008753696	/nfs/dbraw/zinc/75/36/96/1008753696.db2.gz	COFNXEKHJCWSBF-UHFFFAOYSA-N	-1	0	302.290	0.460	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CC(=O)N1CCCC1	ZINC001454144450	1008957412	/nfs/dbraw/zinc/95/74/12/1008957412.db2.gz	YMOMRKOXBNUXOB-UHFFFAOYSA-N	-1	0	302.334	0.662	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@H]2CCCC23CC3)c(=O)[n-]c1=O	ZINC001454566447	1009195481	/nfs/dbraw/zinc/19/54/81/1009195481.db2.gz	XCAQFZORDSVOCJ-NSHDSACASA-N	-1	0	302.334	0.660	20	30		DCEDRM
CN(CCOC(C)(C)C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001433806540	1009197699	/nfs/dbraw/zinc/19/76/99/1009197699.db2.gz	KRNRYDNKTFTZHD-UHFFFAOYSA-N	-1	0	322.365	0.484	20	30		DCEDRM
CC[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1ncc[nH]1	ZINC001433935964	1009369595	/nfs/dbraw/zinc/36/95/95/1009369595.db2.gz	SAXCXCDOVDRBAK-SNVBAGLBSA-N	-1	0	316.321	0.201	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc(Cl)o2)c(=O)[n-]c1=O	ZINC001434208882	1009665533	/nfs/dbraw/zinc/66/55/33/1009665533.db2.gz	YXYRZUHPUFDVIH-UHFFFAOYSA-N	-1	0	308.681	0.497	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@@H]1CCCCNC1=O	ZINC001442758077	1009701139	/nfs/dbraw/zinc/70/11/39/1009701139.db2.gz	GALLTMBKABBZDM-LLVKDONJSA-N	-1	0	302.334	0.708	20	30		DCEDRM
CC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCCOC1	ZINC001434318626	1009756478	/nfs/dbraw/zinc/75/64/78/1009756478.db2.gz	AVRICEBFSCTQPM-PWSUYJOCSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C=CCC1(O)CN(C(=O)c2nc[n-]c(=O)c2Br)C1	ZINC001455680202	1009905873	/nfs/dbraw/zinc/90/58/73/1009905873.db2.gz	CLWOWAUJEHXNOH-UHFFFAOYSA-N	-1	0	314.139	0.708	20	30		DCEDRM
C=CCn1cc2ccc(NC(=O)Cn3c(=O)[n-][nH]c3=O)cc2n1	ZINC001456184754	1010112244	/nfs/dbraw/zinc/11/22/44/1010112244.db2.gz	PEGVURDCBZBJIB-UHFFFAOYSA-N	-1	0	314.305	0.864	20	30		DCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC001515098480	1017098001	/nfs/dbraw/zinc/09/80/01/1017098001.db2.gz	BELBQIBNYYQTOB-NSHDSACASA-N	-1	0	314.345	0.822	20	30		DCEDRM
CSC(C)(C)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001444861624	1011189896	/nfs/dbraw/zinc/18/98/96/1011189896.db2.gz	KWYKXLDYFRCTLN-UHFFFAOYSA-N	-1	0	310.379	0.468	20	30		DCEDRM
Cc1csc(CCCNc2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001458151727	1012095299	/nfs/dbraw/zinc/09/52/99/1012095299.db2.gz	TZFDTDQAPWLBPM-UHFFFAOYSA-N	-1	0	305.363	0.755	20	30		DCEDRM
CN(C)C(=O)Cn1ccc([N-]c2ncc(C#N)cc2[N+](=O)[O-])n1	ZINC001458196196	1012106848	/nfs/dbraw/zinc/10/68/48/1012106848.db2.gz	VBLHRDBUXUAENY-UHFFFAOYSA-N	-1	0	315.293	0.890	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)c1n[n-]c2ccccc2c1=O	ZINC001557987317	1012311399	/nfs/dbraw/zinc/31/13/99/1012311399.db2.gz	FZBJJJFOCDOGMP-UHFFFAOYSA-N	-1	0	314.301	0.864	20	30		DCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)co1	ZINC001561868141	1012479816	/nfs/dbraw/zinc/47/98/16/1012479816.db2.gz	KNRNZEUQBVSCRM-SNVBAGLBSA-N	-1	0	303.336	0.672	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N(C)CCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001501113943	1018893959	/nfs/dbraw/zinc/89/39/59/1018893959.db2.gz	GLFATKZYPUXCFD-NSHDSACASA-N	-1	0	324.381	0.545	20	30		DCEDRM
C#Cc1ccc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)nc1	ZINC001496820480	1019671167	/nfs/dbraw/zinc/67/11/67/1019671167.db2.gz	BRNAAYUMYUZETF-UHFFFAOYSA-N	-1	0	314.349	0.091	20	30		DCEDRM
COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C#N)o1	ZINC000287557486	219585548	/nfs/dbraw/zinc/58/55/48/219585548.db2.gz	OJAWOYIUINSUEO-MRVPVSSYSA-N	-1	0	302.308	0.261	20	30		DCEDRM
C#CCCN1CCN(CC(=O)[N-]OCc2ccccc2)CC1	ZINC000272022187	209391986	/nfs/dbraw/zinc/39/19/86/209391986.db2.gz	NFFILRLPKLREFB-UHFFFAOYSA-N	-1	0	301.390	0.875	20	30		DCEDRM
O=C([O-])[C@@H]1CCCN(C(=O)C(=O)NCC#Cc2ccccc2)C1	ZINC000420525444	240040764	/nfs/dbraw/zinc/04/07/64/240040764.db2.gz	FLHZQVQSDFBNFF-CQSZACIVSA-N	-1	0	314.341	0.478	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])nn1	ZINC000425229835	240321308	/nfs/dbraw/zinc/32/13/08/240321308.db2.gz	BOQGHQDZVUMLKY-SSDOTTSWSA-N	-1	0	306.244	0.990	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c(C(=O)OC)c1	ZINC000275234549	212214819	/nfs/dbraw/zinc/21/48/19/212214819.db2.gz	FYSAPXZQFMYSHG-UHFFFAOYSA-N	-1	0	302.308	0.063	20	30		DCEDRM
C=C[C@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1ccccc1	ZINC000193009611	335040597	/nfs/dbraw/zinc/04/05/97/335040597.db2.gz	NDASHOJOTCSNTL-GFCCVEGCSA-N	-1	0	324.402	0.928	20	30		DCEDRM
COc1ncnc(N(C)C)c1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000288601429	220276776	/nfs/dbraw/zinc/27/67/76/220276776.db2.gz	NZKGZEQLEYFJEY-UHFFFAOYSA-N	-1	0	323.334	0.817	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)OCC)C(C)C	ZINC000496829074	533075474	/nfs/dbraw/zinc/07/54/74/533075474.db2.gz	QLIKEHCKNYTCNI-JTQLQIEISA-N	-1	0	304.368	0.226	20	30		DCEDRM
COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)CCOC	ZINC000272930884	210318007	/nfs/dbraw/zinc/31/80/07/210318007.db2.gz	KZLFUGNJXPUTQE-UHFFFAOYSA-N	-1	0	314.363	0.972	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc2nsnc21	ZINC000092463885	395731560	/nfs/dbraw/zinc/73/15/60/395731560.db2.gz	VLTMYUZEEMLMJM-UHFFFAOYSA-N	-1	0	313.360	0.953	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000113251203	395829388	/nfs/dbraw/zinc/82/93/88/395829388.db2.gz	OXVKRYRCZZLEAC-UHFFFAOYSA-N	-1	0	318.376	0.997	20	30		DCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(C#N)c(C)n2)C1=O	ZINC000278677656	396138783	/nfs/dbraw/zinc/13/87/83/396138783.db2.gz	IPQQOHVLWKXBFB-CQSZACIVSA-N	-1	0	301.306	0.627	20	30		DCEDRM
C[C@](O)(CNS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000263513528	396219995	/nfs/dbraw/zinc/21/99/95/396219995.db2.gz	YSZIOJSZBAGIDR-NSHDSACASA-N	-1	0	318.738	0.326	20	30		DCEDRM
N#Cc1cccc(C2(NC(=O)CSc3n[nH]c(=O)[n-]3)CC2)c1	ZINC000286097824	396374760	/nfs/dbraw/zinc/37/47/60/396374760.db2.gz	NKQMDYYVAKQIPT-UHFFFAOYSA-N	-1	0	315.358	0.867	20	30		DCEDRM
CSCCN(CC(=O)[O-])S(=O)(=O)CC1(CC#N)CC1	ZINC000594679536	396496699	/nfs/dbraw/zinc/49/66/99/396496699.db2.gz	GKQNDWADAMYWAK-UHFFFAOYSA-N	-1	0	306.409	0.760	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000594681972	396496946	/nfs/dbraw/zinc/49/69/46/396496946.db2.gz	QQIXCAFXSMUZJX-SNVBAGLBSA-N	-1	0	310.331	0.662	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000594690269	396497487	/nfs/dbraw/zinc/49/74/87/396497487.db2.gz	JZHCLSQJSHFKSZ-ZWNOBZJWSA-N	-1	0	316.379	0.289	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])cn1	ZINC000600656471	396906747	/nfs/dbraw/zinc/90/67/47/396906747.db2.gz	DSSZGXZFGYHWRY-SECBINFHSA-N	-1	0	317.273	0.436	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCc1cccc(C(=O)[O-])c1	ZINC000591350071	396905280	/nfs/dbraw/zinc/90/52/80/396905280.db2.gz	HFZDBTAFIMHCPM-SNVBAGLBSA-N	-1	0	311.363	0.811	20	30		DCEDRM
CO[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)[C@@](C)(C(=O)[O-])C1	ZINC000600661760	396908969	/nfs/dbraw/zinc/90/89/69/396908969.db2.gz	ZYVNSCHWXLVLAI-SMDDNHRTSA-N	-1	0	324.358	0.811	20	30		DCEDRM
CC(C)(C)N1CC[C@@H](NS(=O)(=O)c2cccnc2C#N)C1=O	ZINC000571437035	396951940	/nfs/dbraw/zinc/95/19/40/396951940.db2.gz	SVIHAEQQKSDCKJ-SNVBAGLBSA-N	-1	0	322.390	0.631	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc2c(c1)ncn2C)C(=O)[O-]	ZINC000630185548	396955744	/nfs/dbraw/zinc/95/57/44/396955744.db2.gz	CVTKVRUZJFOHEM-LBPRGKRZSA-N	-1	0	303.318	0.959	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCc2cnc(C)n2C1)C(=O)[O-]	ZINC000630188482	396957104	/nfs/dbraw/zinc/95/71/04/396957104.db2.gz	XGVDBYYMADZPMY-AAEUAGOBSA-N	-1	0	307.350	0.526	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(=O)[O-]	ZINC000630325123	396984538	/nfs/dbraw/zinc/98/45/38/396984538.db2.gz	IBYONAQEUWMRHU-LLVKDONJSA-N	-1	0	318.333	0.409	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)C(=O)[O-]	ZINC000630322868	396984911	/nfs/dbraw/zinc/98/49/11/396984911.db2.gz	XHSLGVVDKSETHA-LLVKDONJSA-N	-1	0	323.353	0.105	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(CC#N)CC1	ZINC000591667349	396970141	/nfs/dbraw/zinc/97/01/41/396970141.db2.gz	MLEHUFGJPADQSY-ZDUSSCGKSA-N	-1	0	316.379	0.576	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C#N)CCC1	ZINC000591667363	396970214	/nfs/dbraw/zinc/97/02/14/396970214.db2.gz	NAQUPYMMWSXCIA-ZDUSSCGKSA-N	-1	0	316.379	0.576	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597695784	397067296	/nfs/dbraw/zinc/06/72/96/397067296.db2.gz	ZDMQSMMHGVFEKW-UHFFFAOYSA-N	-1	0	311.363	0.661	20	30		DCEDRM
C=C(C)COCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000626125496	397085102	/nfs/dbraw/zinc/08/51/02/397085102.db2.gz	PSZDWNJVYPIDDU-UHFFFAOYSA-N	-1	0	313.379	0.776	20	30		DCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1Cc2ccccc2C1	ZINC000602082793	397295631	/nfs/dbraw/zinc/29/56/31/397295631.db2.gz	HLGQUOLQXDRQDS-UHFFFAOYSA-N	-1	0	324.340	0.446	20	30		DCEDRM
C[C@@H]1CCC[C@H](C)N(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602106603	397302278	/nfs/dbraw/zinc/30/22/78/397302278.db2.gz	DNWOLNQWFMKMCX-MNOVXSKESA-N	-1	0	304.350	0.858	20	30		DCEDRM
C[C@@H]([C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-])C1CC1	ZINC000593271401	397346191	/nfs/dbraw/zinc/34/61/91/397346191.db2.gz	UCMSKBOIGMNVRJ-FXPVBKGRSA-N	-1	0	303.384	0.412	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000593269599	397346424	/nfs/dbraw/zinc/34/64/24/397346424.db2.gz	KHZOVOFBXFKIID-WDEREUQCSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)C1CC1	ZINC000593271403	397346689	/nfs/dbraw/zinc/34/66/89/397346689.db2.gz	UCMSKBOIGMNVRJ-WCABBAIRSA-N	-1	0	303.384	0.412	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-]	ZINC000593273114	397347438	/nfs/dbraw/zinc/34/74/38/397347438.db2.gz	PNMMDMVYBAJQKP-ZYHUDNBSSA-N	-1	0	317.411	0.803	20	30		DCEDRM
CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)C1(C#N)CCC1	ZINC000599152435	397348685	/nfs/dbraw/zinc/34/86/85/397348685.db2.gz	GDWYNIBHHVNHOA-UHFFFAOYSA-N	-1	0	308.363	0.971	20	30		DCEDRM
CC[C@H]1[C@@H](C)CCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602145335	397321201	/nfs/dbraw/zinc/32/12/01/397321201.db2.gz	UAPLXMPBTCPYMI-JQWIXIFHSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CS[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602156557	397326082	/nfs/dbraw/zinc/32/60/82/397326082.db2.gz	GZSSZUSJGBWDIV-SNVBAGLBSA-N	-1	0	308.363	0.175	20	30		DCEDRM
CC1(C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]2CCC[C@H]21	ZINC000602155764	397326101	/nfs/dbraw/zinc/32/61/01/397326101.db2.gz	RITXQFPXFNOAQS-NEPJUHHUSA-N	-1	0	316.361	0.858	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC3(CCC3)[C@H]2C2CC2)c(=O)[n-]c1=O	ZINC000602155023	397326324	/nfs/dbraw/zinc/32/63/24/397326324.db2.gz	XKLWBCXOYGBAAA-CYBMUJFWSA-N	-1	0	314.345	0.612	20	30		DCEDRM
CC(C)[C@@H]1N(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1(C)C	ZINC000602162398	397329067	/nfs/dbraw/zinc/32/90/67/397329067.db2.gz	XMWNNYNSMAVQRE-LBPRGKRZSA-N	-1	0	304.350	0.714	20	30		DCEDRM
N#CCC1(CS(=O)(=O)NCCc2cccc(C(=O)[O-])n2)CC1	ZINC000578446659	397437773	/nfs/dbraw/zinc/43/77/73/397437773.db2.gz	ZGMFDLKQVWFKJT-UHFFFAOYSA-N	-1	0	323.374	0.936	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2C[C@@H](O)C2)c(F)c1	ZINC000599479876	397453191	/nfs/dbraw/zinc/45/31/91/397453191.db2.gz	LTQBMOOYXLKOIF-DTORHVGOSA-N	-1	0	302.302	0.886	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CCO[C@@H](C#N)C2)c1	ZINC000424657046	397401059	/nfs/dbraw/zinc/40/10/59/397401059.db2.gz	ZBJNNWGUZVLFFX-QKVFXAPYSA-N	-1	0	308.359	0.554	20	30		DCEDRM
CC1(C)C[C@@]1(C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599955591	397551967	/nfs/dbraw/zinc/55/19/67/397551967.db2.gz	QLBVBFYOPGKSDN-ZDUSSCGKSA-N	-1	0	308.363	0.875	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@](C)(CC)C(=O)[O-]	ZINC000579361469	397558238	/nfs/dbraw/zinc/55/82/38/397558238.db2.gz	ZTFZTXUEMGHWBX-ZYHUDNBSSA-N	-1	0	305.400	0.803	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC1CCC(C(=O)[O-])CC1	ZINC000579361399	397558569	/nfs/dbraw/zinc/55/85/69/397558569.db2.gz	YCZKDSWTIRYWEY-WHXUTIOJSA-N	-1	0	303.384	0.556	20	30		DCEDRM
CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000494710977	397532071	/nfs/dbraw/zinc/53/20/71/397532071.db2.gz	MSGBSTGWNSVCHE-UHFFFAOYSA-N	-1	0	305.356	0.262	20	30		DCEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(S(=O)(=O)NC)cc1	ZINC000610254536	397809887	/nfs/dbraw/zinc/80/98/87/397809887.db2.gz	HLMKQEUGGZYBSJ-JTQLQIEISA-N	-1	0	317.392	0.639	20	30		DCEDRM
COCCn1cc(S(=O)(=O)[N-]c2cc(C#N)ccn2)cn1	ZINC000276616884	158953562	/nfs/dbraw/zinc/95/35/62/158953562.db2.gz	MICAJRTXADJGAU-UHFFFAOYSA-N	-1	0	307.335	0.597	20	30		DCEDRM
CCN1CN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)CC1=O	ZINC000330067605	159139785	/nfs/dbraw/zinc/13/97/85/159139785.db2.gz	FRZWZYUBVLWROH-UHFFFAOYSA-N	-1	0	306.347	0.643	20	30		DCEDRM
CCC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(N)=O	ZINC000352538537	415213361	/nfs/dbraw/zinc/21/33/61/415213361.db2.gz	LSMNSFDUPYAFFJ-SNVBAGLBSA-N	-1	0	317.317	0.769	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1	ZINC000342795232	415298367	/nfs/dbraw/zinc/29/83/67/415298367.db2.gz	ZXCYYMUVRQCEOF-UHFFFAOYSA-N	-1	0	305.319	0.041	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000056412002	415334470	/nfs/dbraw/zinc/33/44/70/415334470.db2.gz	FXZKPGNQVZAPOG-MRVPVSSYSA-N	-1	0	301.306	0.645	20	30		DCEDRM
C=CCN(CCc1ccco1)C(=O)c1cn(C)c(=O)[nH]c1=O	ZINC000353111896	415441004	/nfs/dbraw/zinc/44/10/04/415441004.db2.gz	MCKMGRWBLJYWOA-UHFFFAOYSA-N	-1	0	303.318	0.950	20	30		DCEDRM
N#CCCN(CC1CC1)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000103437795	415615915	/nfs/dbraw/zinc/61/59/15/415615915.db2.gz	VJOSMPMLHDEZKE-UHFFFAOYSA-N	-1	0	313.317	0.377	20	30		DCEDRM
CCC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(N)=O	ZINC000343428720	415596035	/nfs/dbraw/zinc/59/60/35/415596035.db2.gz	NAASEEBFZRKICW-SECBINFHSA-N	-1	0	308.363	0.765	20	30		DCEDRM
C[C@](C#N)(NC(=O)CN1CCC[C@@H](c2n[n-]c(=O)o2)C1)C1CC1	ZINC000284419640	415597449	/nfs/dbraw/zinc/59/74/49/415597449.db2.gz	XVBDMWYAUCXOAL-MEBBXXQBSA-N	-1	0	319.365	0.351	20	30		DCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1cc(OC)c(OC)cc1F	ZINC000290205875	415775028	/nfs/dbraw/zinc/77/50/28/415775028.db2.gz	NIJPTCCEJUXLGC-QMMMGPOBSA-N	-1	0	305.327	0.668	20	30		DCEDRM
O=S1(=O)CCCN1C/C([O-])=N/Cc1cn2ccsc2n1	ZINC000328821604	416134110	/nfs/dbraw/zinc/13/41/10/416134110.db2.gz	HVQPYMGINDYJQM-UHFFFAOYSA-N	-1	0	314.392	0.888	20	30		DCEDRM
C=CCNC(=O)C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1	ZINC000346198726	416190204	/nfs/dbraw/zinc/19/02/04/416190204.db2.gz	CNMXNVZNTWGEMC-UHFFFAOYSA-N	-1	0	303.278	1.359	20	30		DCEDRM
COC(=O)c1nscc1S(=O)(=O)[N-]c1n[nH]cc1C#N	ZINC000358508825	416246068	/nfs/dbraw/zinc/24/60/68/416246068.db2.gz	CXRRGDAXQOHMIZ-UHFFFAOYSA-N	-1	0	313.320	0.325	20	30		DCEDRM
CSc1nc(=NC(=O)N[C@@H](C)CCS(C)(=O)=O)s[n-]1	ZINC000331075316	416260411	/nfs/dbraw/zinc/26/04/11/416260411.db2.gz	UUYDMVJLXBDUDM-LURJTMIESA-N	-1	0	324.453	0.831	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)C1CCN(c2cnccn2)CC1	ZINC000191257736	416285026	/nfs/dbraw/zinc/28/50/26/416285026.db2.gz	KEYAEINAEGEIHM-UHFFFAOYSA-N	-1	0	304.350	0.792	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000262284012	416336567	/nfs/dbraw/zinc/33/65/67/416336567.db2.gz	XERGTKDRQZNUTO-MNOVXSKESA-N	-1	0	300.355	0.405	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C	ZINC000263106320	416337442	/nfs/dbraw/zinc/33/74/42/416337442.db2.gz	KOVGAUWOJWGMGO-MXWKQRLJSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C=CCCOCC[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000231519693	416328065	/nfs/dbraw/zinc/32/80/65/416328065.db2.gz	MUKHDRCIZGMDEA-UHFFFAOYSA-N	-1	0	320.392	0.801	20	30		DCEDRM
CC[C@](COC)([N-]S(=O)(=O)CC1(CC#N)CC1)C(=O)OC	ZINC000416515075	416373670	/nfs/dbraw/zinc/37/36/70/416373670.db2.gz	KMUGHBUEGZWBDU-CYBMUJFWSA-N	-1	0	318.395	0.568	20	30		DCEDRM
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC000422660102	416445285	/nfs/dbraw/zinc/44/52/85/416445285.db2.gz	JXQYICBSOCEGLQ-GFCCVEGCSA-N	-1	0	301.302	0.767	20	30		DCEDRM
C#CCN(CC)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000491672350	416613572	/nfs/dbraw/zinc/61/35/72/416613572.db2.gz	YFFYYHHFXGUXPA-UHFFFAOYSA-N	-1	0	316.329	0.725	20	30		DCEDRM
Cc1n[n-]c(=NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)s1	ZINC000540345658	416590027	/nfs/dbraw/zinc/59/00/27/416590027.db2.gz	BQSPQVFHVDBCIX-UHFFFAOYSA-N	-1	0	320.382	0.542	20	30		DCEDRM
COC(=O)N1CCC[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000491224160	416590801	/nfs/dbraw/zinc/59/08/01/416590801.db2.gz	AXAXWNCXXZWXJD-QMMMGPOBSA-N	-1	0	302.294	0.570	20	30		DCEDRM
N#Cc1ccc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1Cl	ZINC000424479912	416655213	/nfs/dbraw/zinc/65/52/13/416655213.db2.gz	XYAZVCNPFXHFRT-LLVKDONJSA-N	-1	0	314.750	0.900	20	30		DCEDRM
C=CCCn1cc(C(=O)NC2(C(=O)[O-])CCSCC2)nn1	ZINC000425245548	416687881	/nfs/dbraw/zinc/68/78/81/416687881.db2.gz	UQUQAIVCXXMNMM-UHFFFAOYSA-N	-1	0	310.379	0.934	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000564841844	416895547	/nfs/dbraw/zinc/89/55/47/416895547.db2.gz	UMIUWYXGKLJNHS-AVGNSLFASA-N	-1	0	324.377	0.407	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCCC(C)(C)[C@@H]1C(=O)[O-]	ZINC000519741643	416934951	/nfs/dbraw/zinc/93/49/51/416934951.db2.gz	KNTNZTRKSLGWKY-JTQLQIEISA-N	-1	0	303.384	0.652	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C(=O)[O-])C1CCC1	ZINC000519826242	416943137	/nfs/dbraw/zinc/94/31/37/416943137.db2.gz	XNEQAJZSRKCCSS-GXSJLCMTSA-N	-1	0	303.384	0.556	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000567100840	417056307	/nfs/dbraw/zinc/05/63/07/417056307.db2.gz	OWYZGQOPBLWPNR-LLVKDONJSA-N	-1	0	314.407	0.735	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCOC)[C@H](C)C(=O)[O-]	ZINC000568001647	417072876	/nfs/dbraw/zinc/07/28/76/417072876.db2.gz	DBDQXMFBWMCDEF-WDEREUQCSA-N	-1	0	321.399	0.134	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000414334209	417277334	/nfs/dbraw/zinc/27/73/34/417277334.db2.gz	NBUNTIZKNCIQMX-BDAKNGLRSA-N	-1	0	301.320	0.908	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F	ZINC000570455130	417354970	/nfs/dbraw/zinc/35/49/70/417354970.db2.gz	MODBLMIRTDIYJI-JGVFFNPUSA-N	-1	0	313.326	0.411	20	30		DCEDRM
C=CCN(C(=O)C[C@@H](C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000570696912	417382686	/nfs/dbraw/zinc/38/26/86/417382686.db2.gz	XLVVMDJZCXIKBK-MNOVXSKESA-N	-1	0	303.380	0.689	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-]	ZINC000573540501	417471425	/nfs/dbraw/zinc/47/14/25/417471425.db2.gz	VXLFVQAOFKQRSC-SECBINFHSA-N	-1	0	323.321	0.846	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCOCC1	ZINC000576204752	417588480	/nfs/dbraw/zinc/58/84/80/417588480.db2.gz	TUDAXONQGMVOES-RYUDHWBXSA-N	-1	0	312.366	0.901	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@H](CC2(OC)CCC2)C(=O)[O-])nn1	ZINC000652111328	417847358	/nfs/dbraw/zinc/84/73/58/417847358.db2.gz	SOLRWTRPZMRCSD-SNVBAGLBSA-N	-1	0	308.338	0.606	20	30		DCEDRM
C=CCCn1cc(CSc2n[n-]c3nc(=O)c(C)nn32)nn1	ZINC000655488150	418267652	/nfs/dbraw/zinc/26/76/52/418267652.db2.gz	UUFVEHWDEQHJOF-UHFFFAOYSA-N	-1	0	318.366	0.581	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])nn1	ZINC000655597979	418279840	/nfs/dbraw/zinc/27/98/40/418279840.db2.gz	YFXBPBMTRBGQMF-GFCCVEGCSA-N	-1	0	315.333	0.675	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCCc1cnccc1C)C(=O)[O-]	ZINC000656591959	418365361	/nfs/dbraw/zinc/36/53/61/418365361.db2.gz	KHGDSSGLXRBNIC-CYBMUJFWSA-N	-1	0	307.350	0.888	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)o1	ZINC000361119856	261898342	/nfs/dbraw/zinc/89/83/42/261898342.db2.gz	NOCXSPPPBMGTIG-UHFFFAOYSA-N	-1	0	321.314	0.816	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c(F)c1	ZINC000417427799	262251761	/nfs/dbraw/zinc/25/17/61/262251761.db2.gz	JRPYWZUVBZRKII-JTQLQIEISA-N	-1	0	312.322	0.934	20	30		DCEDRM
CCN(CC)c1n[nH]c([N-]S(=O)(=O)C[C@H](C)OC)c1C#N	ZINC000450997461	267062950	/nfs/dbraw/zinc/06/29/50/267062950.db2.gz	FZDCTHZTWFHWED-VIFPVBQESA-N	-1	0	315.399	0.904	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N1CC([C@H](C)C(=O)[O-])C1	ZINC000530530626	267576462	/nfs/dbraw/zinc/57/64/62/267576462.db2.gz	ACEOQCGPBQNULF-VIFPVBQESA-N	-1	0	324.358	0.908	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccncn2)cn1	ZINC000492699363	268255034	/nfs/dbraw/zinc/25/50/34/268255034.db2.gz	CJFFBYCSBOMZJZ-DUXPYHPUSA-N	-1	0	315.314	0.262	20	30		DCEDRM
C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(C#N)cc1	ZINC000548243328	288124384	/nfs/dbraw/zinc/12/43/84/288124384.db2.gz	RAVPOJFJGPHCGC-JTQLQIEISA-N	-1	0	312.347	0.404	20	30		DCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(F)cc1C#N	ZINC000548565195	288155179	/nfs/dbraw/zinc/15/51/79/288155179.db2.gz	FUDDXNXVWQHQBN-SNVBAGLBSA-N	-1	0	316.310	0.417	20	30		DCEDRM
N#Cc1ncn(CCNS(=O)(=O)c2ccc(C#N)cc2F)n1	ZINC000551997791	288256701	/nfs/dbraw/zinc/25/67/01/288256701.db2.gz	OZLWFNFTTAKCJA-UHFFFAOYSA-N	-1	0	320.309	0.139	20	30		DCEDRM
N#Cc1ncc(NC(=O)C(=O)NCCCC(=O)[O-])cc1Cl	ZINC000570842575	332826809	/nfs/dbraw/zinc/82/68/09/332826809.db2.gz	PLMOQQKCSXEHBG-UHFFFAOYSA-N	-1	0	310.697	0.526	20	30		DCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cnn(C)c1C	ZINC000042325278	332241988	/nfs/dbraw/zinc/24/19/88/332241988.db2.gz	KCXQCRZGABYGTJ-UHFFFAOYSA-N	-1	0	311.367	0.772	20	30		DCEDRM
C=CCOc1cccc(NC(=O)N2CC(=O)NC[C@H]2C(=O)[O-])c1	ZINC000562464200	332595389	/nfs/dbraw/zinc/59/53/89/332595389.db2.gz	WQZRFLVFKVUQRO-LBPRGKRZSA-N	-1	0	319.317	0.668	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000516771043	333219312	/nfs/dbraw/zinc/21/93/12/333219312.db2.gz	ZMTGOQGJUDZYFW-VOAKCMCISA-N	-1	0	324.377	0.263	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cc(C)cs1)C(=O)[O-]	ZINC000563078501	333342533	/nfs/dbraw/zinc/34/25/33/333342533.db2.gz	CNBHFHMQMLYANL-VIFPVBQESA-N	-1	0	305.377	0.991	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)[O-]	ZINC000563081669	333349388	/nfs/dbraw/zinc/34/93/88/333349388.db2.gz	PTZKGVFODSBMMD-NSHDSACASA-N	-1	0	313.379	0.845	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H]([C@@H]2CCCO2)[C@@H]1C(=O)[O-]	ZINC000563225610	333487973	/nfs/dbraw/zinc/48/79/73/333487973.db2.gz	JEPRGFQUBYBWDU-GRYCIOLGSA-N	-1	0	303.380	0.846	20	30		DCEDRM
CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)N(CCC#N)CCOC	ZINC000563227681	333490240	/nfs/dbraw/zinc/49/02/40/333490240.db2.gz	WTTHYSMSWVUVRF-NSHDSACASA-N	-1	0	321.399	0.278	20	30		DCEDRM
C=CCN(C)S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2	ZINC000563231806	333494966	/nfs/dbraw/zinc/49/49/66/333494966.db2.gz	PTFDJPLCDGJXDI-UHFFFAOYSA-N	-1	0	313.331	0.963	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCCCC(=O)[O-]	ZINC000417428175	334875353	/nfs/dbraw/zinc/87/53/53/334875353.db2.gz	KIQMBNVBYDOUNB-NSHDSACASA-N	-1	0	305.400	0.947	20	30		DCEDRM
Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@H]1C#N	ZINC000583088041	337234724	/nfs/dbraw/zinc/23/47/24/337234724.db2.gz	RGUYJPMBPWSIGQ-MRVPVSSYSA-N	-1	0	316.360	0.668	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC	ZINC000436992021	338297027	/nfs/dbraw/zinc/29/70/27/338297027.db2.gz	SPEUANAFIFPPIS-NSHDSACASA-N	-1	0	324.289	0.774	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)/C=C/C1CCOCC1	ZINC000492386324	339899257	/nfs/dbraw/zinc/89/92/57/339899257.db2.gz	MDRQQCDVCVLWHU-ONEGZZNKSA-N	-1	0	300.380	0.965	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1ccc2c(c1)OCO2	ZINC000493148706	339918385	/nfs/dbraw/zinc/91/83/85/339918385.db2.gz	HYSFQNHXEJPWOE-FNORWQNLSA-N	-1	0	307.327	0.898	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc2c(c1)CCO2	ZINC000493555571	339928190	/nfs/dbraw/zinc/92/81/90/339928190.db2.gz	NIHXDSPOCYYPHW-HWKANZROSA-N	-1	0	306.343	0.994	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCOC2=O)cc1	ZINC000494299974	339946033	/nfs/dbraw/zinc/94/60/33/339946033.db2.gz	PUGBLUYNOVJCTO-UHFFFAOYSA-N	-1	0	310.331	0.889	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000496459377	340005881	/nfs/dbraw/zinc/00/58/81/340005881.db2.gz	WZKYYELAHNCSFZ-JTQLQIEISA-N	-1	0	318.395	0.617	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000542858344	341023868	/nfs/dbraw/zinc/02/38/68/341023868.db2.gz	CHRBITLJAQXZBC-SNVBAGLBSA-N	-1	0	311.315	0.560	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)NC[C@H](C)CCC(=O)[O-]	ZINC000568001564	341644981	/nfs/dbraw/zinc/64/49/81/341644981.db2.gz	BBAYKNISBJJKFJ-LLVKDONJSA-N	-1	0	321.399	0.184	20	30		DCEDRM
C#CCN(C1CSC1)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001602715798	1159784576	/nfs/dbraw/zinc/78/45/76/1159784576.db2.gz	SUTGOCPLICNDDZ-UHFFFAOYSA-N	-1	0	312.372	0.519	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1c[nH]nc1C(F)(F)F)C(=O)[O-]	ZINC001602698262	1159784791	/nfs/dbraw/zinc/78/47/91/1159784791.db2.gz	AFYNMGNNDWWVFN-RXMQYKEDSA-N	-1	0	311.241	0.183	20	30		DCEDRM
C[C@@H](CCNCC#N)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001715708754	1181951023	/nfs/dbraw/zinc/95/10/23/1181951023.db2.gz	PMRCZGPRRZXSEG-QMMMGPOBSA-N	-1	0	308.304	0.451	20	30		DCEDRM
N#CC1(CS(=O)(=O)NC[C@H](Cc2cccnc2)C(=O)[O-])CC1	ZINC000275305100	534559856	/nfs/dbraw/zinc/55/98/56/534559856.db2.gz	QVAHKYOTVDNSTH-LBPRGKRZSA-N	-1	0	323.374	0.548	20	30		DCEDRM
N#CCCCS(=O)(=O)N(CCC(=O)[O-])Cc1cccnc1	ZINC000275289809	534618361	/nfs/dbraw/zinc/61/83/61/534618361.db2.gz	LWNGRQSFQSQCID-UHFFFAOYSA-N	-1	0	311.363	0.992	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000263180683	526787395	/nfs/dbraw/zinc/78/73/95/526787395.db2.gz	ZMVAUKCSOGRMHR-LLVKDONJSA-N	-1	0	307.302	0.730	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1nn(C)c2ccccc12)C(=O)[O-]	ZINC000263194621	526804326	/nfs/dbraw/zinc/80/43/26/526804326.db2.gz	LRPWZXXLNWETEL-ZDUSSCGKSA-N	-1	0	317.345	0.888	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCC1)C(=O)[O-]	ZINC000263055477	526805723	/nfs/dbraw/zinc/80/57/23/526805723.db2.gz	QEKQEXJURUKFNX-STQMWFEESA-N	-1	0	312.366	0.453	20	30		DCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)C(=O)[O-])cc1	ZINC000263155684	527050783	/nfs/dbraw/zinc/05/07/83/527050783.db2.gz	NCKHIDCHJOTROA-LBPRGKRZSA-N	-1	0	324.358	0.191	20	30		DCEDRM
C=CCC[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)C(=O)[O-]	ZINC000262999259	527436883	/nfs/dbraw/zinc/43/68/83/527436883.db2.gz	WEYRILQHGLYSDB-SNVBAGLBSA-N	-1	0	306.384	0.194	20	30		DCEDRM
C=CCC[C@@H](NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-]	ZINC000262897467	527437349	/nfs/dbraw/zinc/43/73/49/527437349.db2.gz	LZZHAKHLJWRRDG-LLVKDONJSA-N	-1	0	318.333	0.422	20	30		DCEDRM
C=CCC[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-]	ZINC000262931635	527475295	/nfs/dbraw/zinc/47/52/95/527475295.db2.gz	OZPFNBSXKCIUMA-ZDUSSCGKSA-N	-1	0	304.346	0.881	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CN1c2ccccc2O[C@H](C)C1=O	ZINC000376984800	527583234	/nfs/dbraw/zinc/58/32/34/527583234.db2.gz	HGKKKBIUQNSVNJ-LLVKDONJSA-N	-1	0	318.329	0.900	20	30		DCEDRM
O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000330103392	546056346	/nfs/dbraw/zinc/05/63/46/546056346.db2.gz	IRDDLKBMROUGCR-JTQLQIEISA-N	-1	0	322.369	0.895	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1ccc2c(c1)N(C)CC2)C(=O)[O-]	ZINC000681557877	548263579	/nfs/dbraw/zinc/26/35/79/548263579.db2.gz	JPIVPVGBYWEFKT-LBPRGKRZSA-N	-1	0	310.375	0.987	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@H](C)C1CCOCC1)C(=O)[O-]	ZINC000684735454	548643455	/nfs/dbraw/zinc/64/34/55/548643455.db2.gz	MMKUEHCFXBOBQN-ZYHUDNBSSA-N	-1	0	300.355	0.757	20	30		DCEDRM
CCn1cc(-c2nnn[n-]2)c(=O)n(CCC(C)(C)C#N)c1=O	ZINC000736714043	599068455	/nfs/dbraw/zinc/06/84/55/599068455.db2.gz	NDXSTZRKCXSZCK-UHFFFAOYSA-N	-1	0	303.326	0.150	20	30		DCEDRM
COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CCC(C)(C)C#N)c1	ZINC000821666819	599125764	/nfs/dbraw/zinc/12/57/64/599125764.db2.gz	HPHAJPUGBZRCKA-UHFFFAOYSA-N	-1	0	316.321	0.755	20	30		DCEDRM
CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)C(=O)[O-]	ZINC000817926059	597220754	/nfs/dbraw/zinc/22/07/54/597220754.db2.gz	HWACIMCFVYOQHX-GFCCVEGCSA-N	-1	0	319.317	0.753	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000819835961	597634205	/nfs/dbraw/zinc/63/42/05/597634205.db2.gz	YVSLXYQPOOLHTF-XHDPSFHLSA-N	-1	0	324.308	0.686	20	30		DCEDRM
CCc1nc([C@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2)n[nH]1	ZINC000820492912	597652227	/nfs/dbraw/zinc/65/22/27/597652227.db2.gz	UFTQMBSJFPZANP-YMTOWFKASA-N	-1	0	321.337	0.272	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CN(c2ccccc2)C1=O	ZINC000819833689	597726046	/nfs/dbraw/zinc/72/60/46/597726046.db2.gz	HTEAXPUOSYFGPF-IAQYHMDHSA-N	-1	0	301.302	0.523	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCCCS1(=O)=O	ZINC000819833257	597765594	/nfs/dbraw/zinc/76/55/94/597765594.db2.gz	FQSVCTZWDXVQDO-BXKDBHETSA-N	-1	0	302.352	0.074	20	30		DCEDRM
Cn1cc(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)cn1	ZINC000821298227	598229339	/nfs/dbraw/zinc/22/93/39/598229339.db2.gz	NZTCCWFBYRBKIF-CQSZACIVSA-N	-1	0	305.338	0.073	20	30		DCEDRM
COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820749076	598230477	/nfs/dbraw/zinc/23/04/77/598230477.db2.gz	FXPGUBIAUFXFED-LKFCYVNXSA-N	-1	0	321.337	0.380	20	30		DCEDRM
N#Cc1ccc(N2CC[C@H](OC(=O)[C@H]3C[C@H]3C(=O)[O-])C2=O)cc1	ZINC000739123415	599704619	/nfs/dbraw/zinc/70/46/19/599704619.db2.gz	QUIPRLVFAHMUGY-AGIUHOORSA-N	-1	0	314.297	0.927	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCCN(C)C(=O)[O-]	ZINC000736349800	599873050	/nfs/dbraw/zinc/87/30/50/599873050.db2.gz	PSKYVDXDZMWVTF-CQSZACIVSA-N	-1	0	313.354	0.974	20	30		DCEDRM
CN(C(=O)CN1CCO[C@@H](C(=O)[O-])C1)C1(C#N)CCCCC1	ZINC000737323317	599978291	/nfs/dbraw/zinc/97/82/91/599978291.db2.gz	WVGUXIKIBBEYIC-GFCCVEGCSA-N	-1	0	309.366	0.457	20	30		DCEDRM
C[C@@H](CS(=O)(=O)CC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000736617818	600196276	/nfs/dbraw/zinc/19/62/76/600196276.db2.gz	XBRCCXWHGWYFBD-VIFPVBQESA-N	-1	0	310.331	0.632	20	30		DCEDRM
Cc1ccccc1[C@H](CC(=O)N(CC#N)CC(=O)[O-])NC(N)=O	ZINC000738757871	600400375	/nfs/dbraw/zinc/40/03/75/600400375.db2.gz	HVNFNTBYWHYPSG-LBPRGKRZSA-N	-1	0	318.333	0.531	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000739077596	600402797	/nfs/dbraw/zinc/40/27/97/600402797.db2.gz	RTXHKQCMWDDRQG-GFCCVEGCSA-N	-1	0	322.365	0.351	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000739077598	600402861	/nfs/dbraw/zinc/40/28/61/600402861.db2.gz	RTXHKQCMWDDRQG-LBPRGKRZSA-N	-1	0	322.365	0.351	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000739076050	600405182	/nfs/dbraw/zinc/40/51/82/600405182.db2.gz	RLSUHRSTSFCLSU-CYBMUJFWSA-N	-1	0	315.329	0.472	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(N2CCOC2=O)cc1	ZINC000739088630	600409737	/nfs/dbraw/zinc/40/97/37/600409737.db2.gz	XWLSPBQWOBRYSI-UHFFFAOYSA-N	-1	0	303.274	0.694	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)nc1	ZINC000739121865	600488921	/nfs/dbraw/zinc/48/89/21/600488921.db2.gz	XWTUKPUSDKBKSX-GFCCVEGCSA-N	-1	0	317.349	0.871	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)CN2C(=O)CCC2=O)C(=O)[O-])cc1	ZINC000739107272	600604446	/nfs/dbraw/zinc/60/44/46/600604446.db2.gz	ADRYUYOHNCPUEM-CQSZACIVSA-N	-1	0	316.269	0.376	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)[C@@H]2CCS(=O)(=O)C2)C(=O)[O-])cc1	ZINC000739112331	600609292	/nfs/dbraw/zinc/60/92/92/600609292.db2.gz	YZDOIZVAIGDMAQ-NEPJUHHUSA-N	-1	0	323.326	0.662	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000070393994	600738015	/nfs/dbraw/zinc/73/80/15/600738015.db2.gz	XLLXYJLPTYSUKY-JTQLQIEISA-N	-1	0	314.294	0.171	20	30		DCEDRM
COCCc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000737823528	600796028	/nfs/dbraw/zinc/79/60/28/600796028.db2.gz	LJDZPBMVVQLNBE-UHFFFAOYSA-N	-1	0	312.347	0.474	20	30		DCEDRM
COc1ccccc1CCNC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832613993	601004260	/nfs/dbraw/zinc/00/42/60/601004260.db2.gz	UGYKWNVNEDVNSC-UHFFFAOYSA-N	-1	0	305.334	0.264	20	30		DCEDRM
N#CCCN(C(=O)CN(CC#N)CC(=O)[O-])c1ccccc1	ZINC000833065829	601004288	/nfs/dbraw/zinc/00/42/88/601004288.db2.gz	MXMUQHDURHNXEX-UHFFFAOYSA-N	-1	0	300.318	0.843	20	30		DCEDRM
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832958730	601004929	/nfs/dbraw/zinc/00/49/29/601004929.db2.gz	PRTRAJGQQNGWKT-UHFFFAOYSA-N	-1	0	306.278	0.752	20	30		DCEDRM
CC(=O)c1[nH]c(CC(=O)N2CCOC[C@@H]2C#N)c(C(=O)[O-])c1C	ZINC000736179224	601095042	/nfs/dbraw/zinc/09/50/42/601095042.db2.gz	CECDDKLDLCWGMT-JTQLQIEISA-N	-1	0	319.317	0.517	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC000833061809	601253214	/nfs/dbraw/zinc/25/32/14/601253214.db2.gz	HVCUWPGFSSHAFK-UXONFWTHSA-N	-1	0	322.342	0.697	20	30		DCEDRM
CC(C)Cn1cnc(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000826917917	601262841	/nfs/dbraw/zinc/26/28/41/601262841.db2.gz	NRMAQNCHOQTBIN-UHFFFAOYSA-N	-1	0	300.340	0.138	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC2(CC(=O)[O-])CCOCC2)c1	ZINC000833075441	601270248	/nfs/dbraw/zinc/27/02/48/601270248.db2.gz	RVLYWXTWDBQOGY-UHFFFAOYSA-N	-1	0	324.358	0.860	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)COc1cccc(C#N)c1	ZINC000831553980	601300980	/nfs/dbraw/zinc/30/09/80/601300980.db2.gz	NQSKOCFWLQODKS-OAHLLOKOSA-N	-1	0	306.318	0.933	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)c1	ZINC000817886414	601343304	/nfs/dbraw/zinc/34/33/04/601343304.db2.gz	NRRMNSVKZMODNO-LBPRGKRZSA-N	-1	0	300.314	0.930	20	30		DCEDRM
N#CCN1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	ZINC000833067552	601416143	/nfs/dbraw/zinc/41/61/43/601416143.db2.gz	WRJXNDNWIWZVDA-UHFFFAOYSA-N	-1	0	308.382	0.919	20	30		DCEDRM
C/C(=C\COC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000825758089	601427356	/nfs/dbraw/zinc/42/73/56/601427356.db2.gz	CIZDSRWGAGOXOU-XQJIRVGYSA-N	-1	0	308.290	0.477	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000825967358	601556850	/nfs/dbraw/zinc/55/68/50/601556850.db2.gz	UHJDWBXCFPDMRD-VIFPVBQESA-N	-1	0	304.306	0.782	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2ccc(C(=O)[O-])c(F)c2)c1=O	ZINC000830419878	601673258	/nfs/dbraw/zinc/67/32/58/601673258.db2.gz	COULIZMODNPGOP-UHFFFAOYSA-N	-1	0	317.276	0.787	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1	ZINC000825966623	601990135	/nfs/dbraw/zinc/99/01/35/601990135.db2.gz	IJJHKMGZUBGIQZ-JTQLQIEISA-N	-1	0	324.358	0.462	20	30		DCEDRM
COc1cccc([C@@H](C#N)NC(=O)CN(C)C(=O)[O-])c1OC	ZINC000738087805	602572347	/nfs/dbraw/zinc/57/23/47/602572347.db2.gz	DUQLCLIVWNNGAU-SNVBAGLBSA-N	-1	0	307.306	0.994	20	30		DCEDRM
C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)CCN1C(=O)[O-]	ZINC000826081606	603192259	/nfs/dbraw/zinc/19/22/59/603192259.db2.gz	AFYQEGYACVYUJO-SECBINFHSA-N	-1	0	324.362	0.394	20	30		DCEDRM
N#C[C@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CCN1C1CC1	ZINC000739069871	603262285	/nfs/dbraw/zinc/26/22/85/603262285.db2.gz	UQJBFGDKQPWJRY-YPMHNXCESA-N	-1	0	321.381	0.511	20	30		DCEDRM
CN(C[C@H]1CCCN1CC(=O)N(CCC#N)CCC#N)C(=O)[O-]	ZINC000828223255	603577193	/nfs/dbraw/zinc/57/71/93/603577193.db2.gz	JWRAZAHGBUQNGI-CYBMUJFWSA-N	-1	0	321.381	0.717	20	30		DCEDRM
COc1cccc(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000829549940	603590818	/nfs/dbraw/zinc/59/08/18/603590818.db2.gz	JDYODIQKVCRRHN-LBPRGKRZSA-N	-1	0	303.318	0.952	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccccc1F	ZINC000831081931	603592517	/nfs/dbraw/zinc/59/25/17/603592517.db2.gz	DQDUHRQTFMPCAP-JTQLQIEISA-N	-1	0	307.281	0.919	20	30		DCEDRM
CC(C)NC(=O)CCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824367653	603597510	/nfs/dbraw/zinc/59/75/10/603597510.db2.gz	GSTSWBBDYZVSFL-NSHDSACASA-N	-1	0	310.354	0.396	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(-c2ccco2)n[nH]1	ZINC000831087549	603599125	/nfs/dbraw/zinc/59/91/25/603599125.db2.gz	MYBJCKXHUCVMOQ-SECBINFHSA-N	-1	0	315.289	0.998	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000823516650	603781639	/nfs/dbraw/zinc/78/16/39/603781639.db2.gz	QSYHWJAKXAUUKE-QWHCGFSZSA-N	-1	0	320.345	0.981	20	30		DCEDRM
C=CCN(CC=C)C(=O)COC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000823500803	603788192	/nfs/dbraw/zinc/78/81/92/603788192.db2.gz	LUMSVPAZSAMCOB-AWEZNQCLSA-N	-1	0	314.313	0.822	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCN1C1CC1	ZINC000831075749	603892683	/nfs/dbraw/zinc/89/26/83/603892683.db2.gz	CTEBYEPFRYRZLT-RISCZKNCSA-N	-1	0	310.329	0.277	20	30		DCEDRM
C#CCNC(=O)COC(=O)[C@@H](CNC(=O)[O-])c1ccccc1	ZINC000823457098	603926135	/nfs/dbraw/zinc/92/61/35/603926135.db2.gz	USVKMVYNHHGPJZ-LBPRGKRZSA-N	-1	0	304.302	0.330	20	30		DCEDRM
C#CCNC(=O)COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-]	ZINC000823456890	603930024	/nfs/dbraw/zinc/93/00/24/603930024.db2.gz	RTLUMRTZOWIAHE-NEPJUHHUSA-N	-1	0	310.350	0.886	20	30		DCEDRM
C[C@@]1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN(C(=O)[O-])C1	ZINC000825657717	603939372	/nfs/dbraw/zinc/93/93/72/603939372.db2.gz	VVAHHIGOVZFWFB-SWLSCSKDSA-N	-1	0	306.366	0.575	20	30		DCEDRM
N#Cc1ccc(CNC(=O)COC2CN(C(=O)[O-])C2)c(F)c1	ZINC000831126497	604002918	/nfs/dbraw/zinc/00/29/18/604002918.db2.gz	HSDOAHZKSYGOAO-UHFFFAOYSA-N	-1	0	307.281	0.692	20	30		DCEDRM
CC(C)(CNC(=O)NCCNc1ncccc1C#N)NC(=O)[O-]	ZINC000823936755	604067712	/nfs/dbraw/zinc/06/77/12/604067712.db2.gz	QDFKXLQDZYFSNQ-UHFFFAOYSA-N	-1	0	320.353	0.711	20	30		DCEDRM
CC(C)c1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n(C)n1	ZINC000824453790	604068137	/nfs/dbraw/zinc/06/81/37/604068137.db2.gz	WLNVDQQVRVAKRE-JTQLQIEISA-N	-1	0	305.338	0.871	20	30		DCEDRM
Cn1nc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1C1CC1	ZINC000831050803	604085707	/nfs/dbraw/zinc/08/57/07/604085707.db2.gz	RKPSNCHJSGHILC-JTQLQIEISA-N	-1	0	303.322	0.625	20	30		DCEDRM
CC(C)CN1C[C@H](C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)CC1=O	ZINC000824256648	604086458	/nfs/dbraw/zinc/08/64/58/604086458.db2.gz	GLLHSLBAKABXGH-NEPJUHHUSA-N	-1	0	322.365	0.205	20	30		DCEDRM
N#Cc1cccc(CC(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)c1	ZINC000831146724	604086961	/nfs/dbraw/zinc/08/69/61/604086961.db2.gz	WZHUUXSPMNPYSO-ZDUSSCGKSA-N	-1	0	302.286	0.965	20	30		DCEDRM
CC(N=Nc1nc2[nH][nH]cc-2c(=O)n1)[C@H]1CCCCN1C(=O)[O-]	ZINC000823532202	604087675	/nfs/dbraw/zinc/08/76/75/604087675.db2.gz	HTBLASBJQBFJHQ-SECBINFHSA-N	-1	0	319.325	0.752	20	30		DCEDRM
N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000831064507	604152611	/nfs/dbraw/zinc/15/26/11/604152611.db2.gz	HJEPERJBPUTYNM-XPTSAGLGSA-N	-1	0	320.280	0.821	20	30		DCEDRM
CNC(=O)[C@@H](C#N)C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-]	ZINC000828520347	604223726	/nfs/dbraw/zinc/22/37/26/604223726.db2.gz	ANLYASBFKFPACY-RYUDHWBXSA-N	-1	0	303.318	0.710	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000824887751	604241933	/nfs/dbraw/zinc/24/19/33/604241933.db2.gz	CPKMLVHRGCCFMK-IINYFYTJSA-N	-1	0	313.354	0.830	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])n1	ZINC000833078516	604337817	/nfs/dbraw/zinc/33/78/17/604337817.db2.gz	KMPBNIGKRRQPHW-WDEREUQCSA-N	-1	0	305.338	0.690	20	30		DCEDRM
C#CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	ZINC000833366911	604517944	/nfs/dbraw/zinc/51/79/44/604517944.db2.gz	LQTZUEJQMCVOPU-AWEZNQCLSA-N	-1	0	302.330	0.474	20	30		DCEDRM
COCCN1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1=O	ZINC000833724567	604576880	/nfs/dbraw/zinc/57/68/80/604576880.db2.gz	NVJNKVURWZSBLZ-HNNXBMFYSA-N	-1	0	317.345	0.475	20	30		DCEDRM
N#C[C@@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1ccc(F)cc1	ZINC000831071062	604676273	/nfs/dbraw/zinc/67/62/73/604676273.db2.gz	XLBCQBQFZINBOO-NEPJUHHUSA-N	-1	0	307.281	0.885	20	30		DCEDRM
CC1=C(C(=O)[O-])C[C@@H](CN(CCC#N)CCN2CCOCC2)O1	ZINC000833585098	604831510	/nfs/dbraw/zinc/83/15/10/604831510.db2.gz	UFSMIRUYTPRTMV-AWEZNQCLSA-N	-1	0	323.393	0.682	20	30		DCEDRM
C=CCN(C[C@H]1CC(C(=O)[O-])=C(C)O1)[C@@H]1CCS(=O)(=O)C1	ZINC000833375217	604832065	/nfs/dbraw/zinc/83/20/65/604832065.db2.gz	JTBWKULFYMWHGM-VXGBXAGGSA-N	-1	0	315.391	0.809	20	30		DCEDRM
CC(C)C[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)C(=O)[O-]	ZINC000818637083	604861014	/nfs/dbraw/zinc/86/10/14/604861014.db2.gz	LABXDDQCIHXFGQ-SNVBAGLBSA-N	-1	0	321.337	0.208	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831132088	604876579	/nfs/dbraw/zinc/87/65/79/604876579.db2.gz	MPSYMFKDJVQLFH-GFCCVEGCSA-N	-1	0	307.281	0.692	20	30		DCEDRM
C=C(C)COCCNC(=O)C1(OC)CCN(C(=O)[O-])CC1	ZINC000823480407	604926260	/nfs/dbraw/zinc/92/62/60/604926260.db2.gz	BHESCGKXUTVQOL-UHFFFAOYSA-N	-1	0	300.355	0.854	20	30		DCEDRM
N#CCCn1ccc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)n1	ZINC000831097604	604927905	/nfs/dbraw/zinc/92/79/05/604927905.db2.gz	MJFQMOATZPZVKZ-JTQLQIEISA-N	-1	0	307.310	0.504	20	30		DCEDRM
C[C@H](NC(=O)[O-])C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000825185166	604961536	/nfs/dbraw/zinc/96/15/36/604961536.db2.gz	ANSKPFOICMTXFD-CBAPKCEASA-N	-1	0	323.330	0.924	20	30		DCEDRM
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)[C@H](C)NC(=O)[O-]	ZINC000833736433	604980756	/nfs/dbraw/zinc/98/07/56/604980756.db2.gz	JPSJTIZAIIQZGR-IUCAKERBSA-N	-1	0	305.290	0.999	20	30		DCEDRM
C[C@@H](OC(=O)c1cncc(C(=O)[O-])c1)C(=O)N(C)CCC#N	ZINC000833537190	605019028	/nfs/dbraw/zinc/01/90/28/605019028.db2.gz	VFSJZBLRPFIYRV-SECBINFHSA-N	-1	0	305.290	0.697	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833378550	605027786	/nfs/dbraw/zinc/02/77/86/605027786.db2.gz	OTYYCZIZYXEOAC-UHFFFAOYSA-N	-1	0	311.363	0.697	20	30		DCEDRM
N#Cc1ccc(OCCOC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000831141556	605077314	/nfs/dbraw/zinc/07/73/14/605077314.db2.gz	JXWBOSWTIRVUSE-CYBMUJFWSA-N	-1	0	320.301	0.859	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000833371132	605093076	/nfs/dbraw/zinc/09/30/76/605093076.db2.gz	PDEFGOZTGPQGLA-SECBINFHSA-N	-1	0	324.308	0.763	20	30		DCEDRM
CC(C)(C#N)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000819901651	605121731	/nfs/dbraw/zinc/12/17/31/605121731.db2.gz	OZTUWOFKMIXHMZ-UHFFFAOYSA-N	-1	0	303.318	0.918	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000833370253	605212909	/nfs/dbraw/zinc/21/29/09/605212909.db2.gz	KHFUSZZSYWUUKM-VIFPVBQESA-N	-1	0	317.338	0.987	20	30		DCEDRM
CS(=O)(=O)CC1(Cn2cc(C(=O)[O-])cc(C#N)c2=O)CC1	ZINC000833737481	605228890	/nfs/dbraw/zinc/22/88/90/605228890.db2.gz	DXCCVYHAPKAGPX-UHFFFAOYSA-N	-1	0	310.331	0.243	20	30		DCEDRM
C[C@@H](CC(=O)OCC(=O)NCC#N)C1CCN(C(=O)[O-])CC1	ZINC000824727379	605234577	/nfs/dbraw/zinc/23/45/77/605234577.db2.gz	HEOXPVWGSFHSJW-JTQLQIEISA-N	-1	0	311.338	0.586	20	30		DCEDRM
N#C[C@@]1(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CCSC1	ZINC000831075995	605263271	/nfs/dbraw/zinc/26/32/71/605263271.db2.gz	FQTUBWPCNLSGEK-MFKMUULPSA-N	-1	0	313.379	0.661	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000833378469	605301585	/nfs/dbraw/zinc/30/15/85/605301585.db2.gz	OKUVQGBEWMOXNB-MNOVXSKESA-N	-1	0	303.380	0.594	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)Cc1ccccc1C(=O)[O-]	ZINC000833378249	605311579	/nfs/dbraw/zinc/31/15/79/605311579.db2.gz	LPOQZWYCKMKZTB-UHFFFAOYSA-N	-1	0	311.359	0.644	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1ccc(C(=O)[O-])s1	ZINC000833378608	605312472	/nfs/dbraw/zinc/31/24/72/605312472.db2.gz	REVPNSFGZXLISL-UHFFFAOYSA-N	-1	0	303.361	0.777	20	30		DCEDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)OCC(=O)N(C)C(C)(C)C#N	ZINC000824304377	605320914	/nfs/dbraw/zinc/32/09/14/605320914.db2.gz	BDAUCTCDTWKLTO-JTQLQIEISA-N	-1	0	313.354	0.972	20	30		DCEDRM
N#Cc1ccc(COC(=O)[C@H](CC(N)=O)NC(=O)[O-])c(F)c1	ZINC000833972024	605416962	/nfs/dbraw/zinc/41/69/62/605416962.db2.gz	RRLCJQAIORKRKI-JTQLQIEISA-N	-1	0	309.253	0.252	20	30		DCEDRM
N#CC1(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])CCOCC1	ZINC000831071009	605435131	/nfs/dbraw/zinc/43/51/31/605435131.db2.gz	WSOFXHMKKPMSIW-SNVBAGLBSA-N	-1	0	313.379	0.661	20	30		DCEDRM
C=CCN(CCc1ccco1)S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000833374485	605445760	/nfs/dbraw/zinc/44/57/60/605445760.db2.gz	LRAXXZZDVKFHTO-UHFFFAOYSA-N	-1	0	316.379	0.961	20	30		DCEDRM
CC1(C#N)CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC000833551426	605610707	/nfs/dbraw/zinc/61/07/07/605610707.db2.gz	KJABOEXGRVNONW-UHFFFAOYSA-N	-1	0	315.395	0.653	20	30		DCEDRM
C=CCOCCCC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833375522	605662707	/nfs/dbraw/zinc/66/27/07/605662707.db2.gz	CPHAOLHRSXIUGK-VXGBXAGGSA-N	-1	0	313.350	0.834	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CSCC(F)(F)F	ZINC000833966602	605670627	/nfs/dbraw/zinc/67/06/27/605670627.db2.gz	MSOUSGGVWCFWJB-ZETCQYMHSA-N	-1	0	311.285	0.996	20	30		DCEDRM
Cn1cc(C#N)cc1-c1nc([C@H]2COCCN2C(=O)[O-])no1	ZINC000833942848	605708726	/nfs/dbraw/zinc/70/87/26/605708726.db2.gz	AJTOVONUECHHCM-SNVBAGLBSA-N	-1	0	303.278	0.998	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)NCCN(C(=O)[O-])C2CC2)cc1	ZINC000833974064	605838197	/nfs/dbraw/zinc/83/81/97/605838197.db2.gz	SPVDKJDZTPPPNN-CYBMUJFWSA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@H](CNC(=O)[O-])C2CC2)nc1	ZINC000833976785	605998323	/nfs/dbraw/zinc/99/83/23/605998323.db2.gz	XYVCGPMNQICCDF-LLVKDONJSA-N	-1	0	303.322	0.528	20	30		DCEDRM
N#Cc1cc(COC(=O)CCOC2CN(C(=O)[O-])C2)ccn1	ZINC000833969426	606103659	/nfs/dbraw/zinc/10/36/59/606103659.db2.gz	AHBHLYJBNHGAFE-UHFFFAOYSA-N	-1	0	305.290	0.765	20	30		DCEDRM
C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cccc(C#N)c1	ZINC000820334994	607220540	/nfs/dbraw/zinc/22/05/40/607220540.db2.gz	SGEPNJZFXAUGPT-VIFPVBQESA-N	-1	0	323.320	0.207	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC000909386105	660498816	/nfs/dbraw/zinc/49/88/16/660498816.db2.gz	CUAMGMMBRCKWHO-MFKMUULPSA-N	-1	0	309.293	0.812	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CC[C@@H]3CN(CC#N)C[C@H]3C2)c1[O-]	ZINC000979663329	660797248	/nfs/dbraw/zinc/79/72/48/660797248.db2.gz	ZPAHQUPNGGZXFT-IJLUTSLNSA-N	-1	0	303.366	0.778	20	30		DCEDRM
CC#CCN1CCCN(C(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC000982111084	661292346	/nfs/dbraw/zinc/29/23/46/661292346.db2.gz	NGKLGCGVLFBMBZ-UHFFFAOYSA-N	-1	0	313.361	0.194	20	30		DCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2ccc([O-])c([N+](=O)[O-])c2)c1=O	ZINC000255394904	657721564	/nfs/dbraw/zinc/72/15/64/657721564.db2.gz	XLTHZWOBIZRBDX-RQOWECAXSA-N	-1	0	317.257	0.996	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CC[C@H](N(C)CC#N)C2)cc1=O	ZINC000971881681	657961273	/nfs/dbraw/zinc/96/12/73/657961273.db2.gz	NCXNUBUODSYRSY-AWEZNQCLSA-N	-1	0	319.409	0.431	20	30		DCEDRM
C#CCNC(=O)C1CCN(c2cc(=O)[nH]c(COC)n2)CC1	ZINC000892148629	658222981	/nfs/dbraw/zinc/22/29/81/658222981.db2.gz	HLHIUKVKDUFIIX-UHFFFAOYSA-N	-1	0	304.350	0.294	20	30		DCEDRM
C#CCN1CC([C@H](C)NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1	ZINC000969916310	658259226	/nfs/dbraw/zinc/25/92/26/658259226.db2.gz	LOWCNMVTXLZIHX-JTQLQIEISA-N	-1	0	300.362	0.743	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2O)C1	ZINC000939394947	665570131	/nfs/dbraw/zinc/57/01/31/665570131.db2.gz	AZKTXSCAFDKOEN-QWRGUYRKSA-N	-1	0	302.334	0.620	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1	ZINC000939411568	665576267	/nfs/dbraw/zinc/57/62/67/665576267.db2.gz	SEYFDAIMRAJXAC-MWLCHTKSSA-N	-1	0	317.349	0.323	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCCC2	ZINC000892492253	658720768	/nfs/dbraw/zinc/72/07/68/658720768.db2.gz	SFZRSACLUAKEBY-NSHDSACASA-N	-1	0	304.350	0.384	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000783126084	659075553	/nfs/dbraw/zinc/07/55/53/659075553.db2.gz	MPKZTAZCRLKORJ-WCQYABFASA-N	-1	0	305.396	0.698	20	30		DCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(F)c1C#N	ZINC000776701859	659502392	/nfs/dbraw/zinc/50/23/92/659502392.db2.gz	VBFLHZSGFXWRST-SNVBAGLBSA-N	-1	0	316.310	0.417	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)CO1	ZINC000784539854	659569307	/nfs/dbraw/zinc/56/93/07/659569307.db2.gz	AALAFBTZASJROU-QWRGUYRKSA-N	-1	0	300.380	0.941	20	30		DCEDRM
CC1(C)CN(CC#N)C[C@@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000977470990	659727543	/nfs/dbraw/zinc/72/75/43/659727543.db2.gz	QPONFCRSMNVMMY-NSHDSACASA-N	-1	0	315.333	0.892	20	30		DCEDRM
N#CCN1CC[C@H](CNC(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001028841058	661847021	/nfs/dbraw/zinc/84/70/21/661847021.db2.gz	QTTUZGLNTBUTHD-LLVKDONJSA-N	-1	0	311.345	0.911	20	30		DCEDRM
COCC[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000070394000	665821006	/nfs/dbraw/zinc/82/10/06/665821006.db2.gz	WQBALTBVHFIIED-SNVBAGLBSA-N	-1	0	316.310	0.465	20	30		DCEDRM
COCc1nc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cs1	ZINC000049155635	662057401	/nfs/dbraw/zinc/05/74/01/662057401.db2.gz	RNZKYYRRJHVOGQ-UHFFFAOYSA-N	-1	0	316.364	0.717	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NC1(C(=O)[O-])CCCCC1	ZINC000841776253	663017120	/nfs/dbraw/zinc/01/71/20/663017120.db2.gz	GQFVQJSQESKFGF-JTQLQIEISA-N	-1	0	303.384	0.842	20	30		DCEDRM
C[C@@H]1C[C@H](S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)CCO1	ZINC000899927237	663201366	/nfs/dbraw/zinc/20/13/66/663201366.db2.gz	UFLAMRZUGBHFIH-JHJVBQTASA-N	-1	0	315.391	0.684	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1	ZINC000899938505	663202656	/nfs/dbraw/zinc/20/26/56/663202656.db2.gz	NMECZIWGQDYKFV-ITGUQSILSA-N	-1	0	306.343	0.704	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@]1(OC(C)C)CCOC1	ZINC000905606225	663566222	/nfs/dbraw/zinc/56/62/22/663566222.db2.gz	FRVUZLBRYOUGHO-CQSZACIVSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)NCCN1CCSCC1)C(=O)[O-]	ZINC000908836471	663771274	/nfs/dbraw/zinc/77/12/74/663771274.db2.gz	LYKHPGSHIFVLRL-NSHDSACASA-N	-1	0	301.412	0.754	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCCOC[C@H]1CCOC1)C(=O)[O-]	ZINC000908947601	663776005	/nfs/dbraw/zinc/77/60/05/663776005.db2.gz	DWHFYXVFIVVTTI-RYUDHWBXSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=CCCOCCNC(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000909118188	663781706	/nfs/dbraw/zinc/78/17/06/663781706.db2.gz	ZWOGMLOIHNPNCE-RISCZKNCSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000909246181	663787793	/nfs/dbraw/zinc/78/77/93/663787793.db2.gz	LQCAOSZKJIIZOE-OZTPJHRESA-N	-1	0	312.366	0.851	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000909246179	663787829	/nfs/dbraw/zinc/78/78/29/663787829.db2.gz	LQCAOSZKJIIZOE-JUFZMCDQSA-N	-1	0	312.366	0.851	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnn(C)c1C(F)(F)F)C(=O)[O-]	ZINC000909770045	663800269	/nfs/dbraw/zinc/80/02/69/663800269.db2.gz	HBRAVVVEIKYAGC-QMMMGPOBSA-N	-1	0	321.255	0.825	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCN(CC(F)F)C1)C(=O)[O-]	ZINC000909770356	663800482	/nfs/dbraw/zinc/80/04/82/663800482.db2.gz	FSGGQUOKHPQQNQ-QWRGUYRKSA-N	-1	0	320.336	0.736	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)OCc1ccncc1)C(=O)[O-]	ZINC000909772965	663801038	/nfs/dbraw/zinc/80/10/38/663801038.db2.gz	ZCGYRDMCPDMAFQ-DGCLKSJQSA-N	-1	0	308.334	0.759	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(N2CCNC2=O)cc1)C(=O)[O-]	ZINC000910053917	663837897	/nfs/dbraw/zinc/83/78/97/663837897.db2.gz	ZYJBXOHIPWKOER-GFCCVEGCSA-N	-1	0	301.302	0.423	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccnc(O[C@H]2CCOC2)c1)C(=O)[O-]	ZINC000910054642	663837926	/nfs/dbraw/zinc/83/79/26/663837926.db2.gz	VCAXYRJOWOYAJE-NWDGAFQWSA-N	-1	0	304.302	0.456	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1nn(C2CCOCC2)cc1C)C(=O)[O-]	ZINC000910049992	663840879	/nfs/dbraw/zinc/84/08/79/663840879.db2.gz	BMCDYXKLWMTOKH-GFCCVEGCSA-N	-1	0	305.334	0.749	20	30		DCEDRM
C=CCN(CC(=O)[O-])c1cc(N2CC[C@H]([C@H](C)O)C2)ncn1	ZINC000910395900	663879046	/nfs/dbraw/zinc/87/90/46/663879046.db2.gz	OVNJIIFKUVTFLG-RYUDHWBXSA-N	-1	0	306.366	0.761	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)N1CCCc2ccccc21	ZINC000166069954	664434319	/nfs/dbraw/zinc/43/43/19/664434319.db2.gz	UIHWVPJFBFOLFL-UHFFFAOYSA-N	-1	0	322.386	0.840	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(Cl)c(N2CCNC2=O)c1	ZINC000173990425	664634541	/nfs/dbraw/zinc/63/45/41/664634541.db2.gz	OUIXNHKSUFUHSK-VIFPVBQESA-N	-1	0	320.736	0.938	20	30		DCEDRM
N#Cc1nc(NC(=O)C[C@@H]2Oc3ccccc3NC2=O)[n-]c1C#N	ZINC000914532299	664802296	/nfs/dbraw/zinc/80/22/96/664802296.db2.gz	FLABCRBBPPNIMO-LBPRGKRZSA-N	-1	0	322.284	0.881	20	30		DCEDRM
N#Cc1nc(NC(=O)C[C@H](NC(N)=O)c2ccccc2)[n-]c1C#N	ZINC000915067807	664858241	/nfs/dbraw/zinc/85/82/41/664858241.db2.gz	VYADZNPRHKYSOH-JTQLQIEISA-N	-1	0	323.316	0.891	20	30		DCEDRM
COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)[nH][n-]1	ZINC000732269838	664910437	/nfs/dbraw/zinc/91/04/37/664910437.db2.gz	VOPSENBCTHDAJG-UHFFFAOYSA-N	-1	0	300.318	0.409	20	30		DCEDRM
COC(=O)[C@H](CF)[N-]S(=O)(=O)Cc1csc(C#N)c1	ZINC000915669245	664936168	/nfs/dbraw/zinc/93/61/68/664936168.db2.gz	LHIZRMIJOGBZNM-VIFPVBQESA-N	-1	0	306.340	0.550	20	30		DCEDRM
Cc1cc(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)c(C)o1	ZINC000732910410	664974130	/nfs/dbraw/zinc/97/41/30/664974130.db2.gz	POAFCINHMRXQPE-GFCCVEGCSA-N	-1	0	324.358	0.476	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(Cn2cccn2)o1	ZINC000916890453	665099226	/nfs/dbraw/zinc/09/92/26/665099226.db2.gz	HUZFIEWEMQBKKL-GFCCVEGCSA-N	-1	0	316.317	0.609	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(F)c(NC(C)=O)c1	ZINC000920108136	665258914	/nfs/dbraw/zinc/25/89/14/665258914.db2.gz	OMEYZNNJBYEULE-NSHDSACASA-N	-1	0	321.308	0.869	20	30		DCEDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000734088310	666847715	/nfs/dbraw/zinc/84/77/15/666847715.db2.gz	ACEVEGQSACGHMH-UHFFFAOYSA-N	-1	0	310.331	0.571	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)N(C)CC(F)(F)F	ZINC000788067198	666939772	/nfs/dbraw/zinc/93/97/72/666939772.db2.gz	CVFIOSSEFQHVLE-QMMMGPOBSA-N	-1	0	300.302	0.338	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(C(=O)NC)cc1OC	ZINC000861898380	666993562	/nfs/dbraw/zinc/99/35/62/666993562.db2.gz	FVOHXADGGXJLEO-SECBINFHSA-N	-1	0	321.333	0.616	20	30		DCEDRM
CC(C)OC[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000863416741	667141364	/nfs/dbraw/zinc/14/13/64/667141364.db2.gz	MEQFRROSEGRUQK-NSHDSACASA-N	-1	0	313.335	0.110	20	30		DCEDRM
CC(C)OC[C@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000863418844	667141811	/nfs/dbraw/zinc/14/18/11/667141811.db2.gz	HQWBPYYFMVTFSM-NSHDSACASA-N	-1	0	312.347	0.715	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000863421230	667142525	/nfs/dbraw/zinc/14/25/25/667142525.db2.gz	PXQLCBIRRMDHNN-VIFPVBQESA-N	-1	0	321.786	0.911	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)C1CCCC1	ZINC000863746294	667174493	/nfs/dbraw/zinc/17/44/93/667174493.db2.gz	IXCZBNZDEMBZNC-GXTWGEPZSA-N	-1	0	320.389	0.960	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000863806899	667185452	/nfs/dbraw/zinc/18/54/52/667185452.db2.gz	UEVRXIKYVTUZOP-LBPRGKRZSA-N	-1	0	301.302	0.798	20	30		DCEDRM
C[C@@H](CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C1CC1	ZINC000863934793	667195089	/nfs/dbraw/zinc/19/50/89/667195089.db2.gz	NTSYIHGUELUDLR-VIFPVBQESA-N	-1	0	302.334	0.640	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000864186993	667222969	/nfs/dbraw/zinc/22/29/69/667222969.db2.gz	BJHPPPRMSHMACU-VHSXEESVSA-N	-1	0	321.420	0.442	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1	ZINC000923163201	667467021	/nfs/dbraw/zinc/46/70/21/667467021.db2.gz	OBMMEGUZKQYDRT-ZOBORPQBSA-N	-1	0	309.362	0.896	20	30		DCEDRM
CC(=NNCCS(C)(=O)=O)c1cccc(OCC(=O)[O-])c1	ZINC000737540585	667618034	/nfs/dbraw/zinc/61/80/34/667618034.db2.gz	SNUDEYYRAKJOOF-UHFFFAOYSA-N	-1	0	314.363	0.508	20	30		DCEDRM
C[C@@H](NC(=O)C(C)(C)C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122578658	667656752	/nfs/dbraw/zinc/65/67/52/667656752.db2.gz	LGRRTTFTMONMAG-NXEZZACHSA-N	-1	0	304.350	0.862	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OCC	ZINC000870035179	667699870	/nfs/dbraw/zinc/69/98/70/667699870.db2.gz	NGQDINGECFUMAS-VIFPVBQESA-N	-1	0	301.730	0.930	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000838845040	667712345	/nfs/dbraw/zinc/71/23/45/667712345.db2.gz	HAMLMICJJZKHMQ-UHFFFAOYSA-N	-1	0	310.331	0.489	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000838849599	667714165	/nfs/dbraw/zinc/71/41/65/667714165.db2.gz	BAXPWCSGPDJKHL-UHFFFAOYSA-N	-1	0	310.331	0.375	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COc2c(C)nn(C)c2C)CC1	ZINC000870833381	667764965	/nfs/dbraw/zinc/76/49/65/667764965.db2.gz	CPUCSUQFZBNQAI-UHFFFAOYSA-N	-1	0	313.379	0.580	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnc3c(cnn3C)c2)CC1	ZINC000870834736	667765548	/nfs/dbraw/zinc/76/55/48/667765548.db2.gz	OLZBNWSODYFHFK-UHFFFAOYSA-N	-1	0	306.347	0.747	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCOC[C@H]2OCC)CC1	ZINC000870840094	667765991	/nfs/dbraw/zinc/76/59/91/667765991.db2.gz	INKPKNBVQLPMTR-VXGBXAGGSA-N	-1	0	317.407	0.983	20	30		DCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)NCCOC)c1	ZINC000744027470	667819326	/nfs/dbraw/zinc/81/93/26/667819326.db2.gz	VSNRBNAMZIHANG-LBPRGKRZSA-N	-1	0	303.318	0.131	20	30		DCEDRM
CCN(CC(F)(F)F)C(=O)Cn1ccc(C=NO)nc1=O	ZINC000871733834	667846065	/nfs/dbraw/zinc/84/60/65/667846065.db2.gz	PKZXUTDNVGHDGQ-UHFFFAOYSA-N	-1	0	306.244	0.462	20	30		DCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)C1CCOCC1	ZINC000871741603	667846506	/nfs/dbraw/zinc/84/65/06/667846506.db2.gz	CIYFXWVSMQPYME-SNVBAGLBSA-N	-1	0	306.384	0.351	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)C[C@H]1CCCOC1)C(=O)[O-]	ZINC000871996648	667864657	/nfs/dbraw/zinc/86/46/57/667864657.db2.gz	SETAMCBFHHXJEN-VHSXEESVSA-N	-1	0	311.787	0.928	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)C[C@H](OC)C1CC1)C(=O)[O-]	ZINC000871995752	667864905	/nfs/dbraw/zinc/86/49/05/667864905.db2.gz	GQBQUKQWXWQGFZ-UWVGGRQHSA-N	-1	0	311.787	0.927	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)cc2)cn1	ZINC000749217365	667948840	/nfs/dbraw/zinc/94/88/40/667948840.db2.gz	LFTWTCMOOMBJLX-UHFFFAOYSA-N	-1	0	304.331	0.893	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)N2CCCCC2)cc1	ZINC000750398674	667978162	/nfs/dbraw/zinc/97/81/62/667978162.db2.gz	KHTYCPMEOKAGKV-UHFFFAOYSA-N	-1	0	307.375	0.948	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)NC(=O)[C@H](C)N2C	ZINC000750686597	667984806	/nfs/dbraw/zinc/98/48/06/667984806.db2.gz	GWXLIINIRKCZSY-WPRPVWTQSA-N	-1	0	300.318	0.532	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1cnn(C)c1	ZINC000750681740	667984940	/nfs/dbraw/zinc/98/49/40/667984940.db2.gz	OJRFNNGVESIDKO-SNVBAGLBSA-N	-1	0	318.358	0.900	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)NC(=O)[C@@H](C)N2C	ZINC000750686594	667984972	/nfs/dbraw/zinc/98/49/72/667984972.db2.gz	GWXLIINIRKCZSY-PSASIEDQSA-N	-1	0	300.318	0.532	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000753155401	668026661	/nfs/dbraw/zinc/02/66/61/668026661.db2.gz	POGISOPUURGPIQ-AWEZNQCLSA-N	-1	0	300.322	0.223	20	30		DCEDRM
N#Cc1cc(F)ccc1N1CCN(CC(=O)NCC(=O)[O-])CC1	ZINC000873643865	668096865	/nfs/dbraw/zinc/09/68/65/668096865.db2.gz	LRFQJQWIZJWTHR-UHFFFAOYSA-N	-1	0	320.324	0.020	20	30		DCEDRM
CON=Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnccn2)cc1	ZINC000758577503	668185122	/nfs/dbraw/zinc/18/51/22/668185122.db2.gz	CXDXMNRWCYYAJA-UHFFFAOYSA-N	-1	0	320.330	0.576	20	30		DCEDRM
N#CCc1cccc(C(=O)[N-]S(=O)(=O)c2cnccn2)c1	ZINC000758579823	668185247	/nfs/dbraw/zinc/18/52/47/668185247.db2.gz	WDHDHRUIEZZBTK-UHFFFAOYSA-N	-1	0	302.315	0.661	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)CC(=O)[N-]OCC(F)F)cc1	ZINC000760142527	668259114	/nfs/dbraw/zinc/25/91/14/668259114.db2.gz	UDSPHCVNLNGOSH-UHFFFAOYSA-N	-1	0	318.301	0.786	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H]1CCNC(=O)C1	ZINC000761003739	668298737	/nfs/dbraw/zinc/29/87/37/668298737.db2.gz	JAULQQLOVVECCM-SNVBAGLBSA-N	-1	0	321.358	0.030	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000875477048	668328137	/nfs/dbraw/zinc/32/81/37/668328137.db2.gz	TYYASNMMQUAISB-KWQFWETISA-N	-1	0	306.288	0.999	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CNC(=O)c1ccc(OCC)cc1	ZINC000762048002	668344778	/nfs/dbraw/zinc/34/47/78/668344778.db2.gz	HNLVSYPKTBOXRN-UHFFFAOYSA-N	-1	0	320.345	0.914	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnc2scc(C)n2c1=O	ZINC000762049676	668345051	/nfs/dbraw/zinc/34/50/51/668345051.db2.gz	CBJBHMHZGXIHER-UHFFFAOYSA-N	-1	0	307.331	0.777	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)C[C@@H](C)OC	ZINC000764190133	668438235	/nfs/dbraw/zinc/43/82/35/668438235.db2.gz	BTYBUSOHBCMCIU-SNVBAGLBSA-N	-1	0	314.363	0.741	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2nc(C)cc(C)n2)n1	ZINC000764567020	668453413	/nfs/dbraw/zinc/45/34/13/668453413.db2.gz	IYZNQPLWAHHXDL-NSHDSACASA-N	-1	0	312.333	0.656	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCOC3)cc1	ZINC000764754207	668461076	/nfs/dbraw/zinc/46/10/76/668461076.db2.gz	TTZUCOIPEQQJOO-GXTWGEPZSA-N	-1	0	306.343	0.790	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000765488824	668495206	/nfs/dbraw/zinc/49/52/06/668495206.db2.gz	BPXRJKSTVIQWOB-UHFFFAOYSA-N	-1	0	304.237	0.686	20	30		DCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)nn1	ZINC000766612787	668539773	/nfs/dbraw/zinc/53/97/73/668539773.db2.gz	CWEVUKPQDFKUOR-LBPRGKRZSA-N	-1	0	321.381	0.942	20	30		DCEDRM
COc1nc(N(C)C)sc1C=NNc1nnc(C)c(=O)[n-]1	ZINC000767044694	668557212	/nfs/dbraw/zinc/55/72/12/668557212.db2.gz	FJBCJNDOOCUDCE-UHFFFAOYSA-N	-1	0	309.355	0.863	20	30		DCEDRM
CC(C)(C)c1nc(C#N)c(N=NCc2cn(CC(=O)[O-])nn2)o1	ZINC000768481467	668611107	/nfs/dbraw/zinc/61/11/07/668611107.db2.gz	ALYHEKOPPXOASV-UHFFFAOYSA-N	-1	0	317.309	0.966	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1	ZINC000771078776	668730081	/nfs/dbraw/zinc/73/00/81/668730081.db2.gz	UBQVAKIDOHCDQT-UHFFFAOYSA-N	-1	0	312.307	0.676	20	30		DCEDRM
CCc1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cnn1C	ZINC000771077987	668730209	/nfs/dbraw/zinc/73/02/09/668730209.db2.gz	XMQOCPFPGUMILV-UHFFFAOYSA-N	-1	0	310.379	0.736	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)cc2)CCC1	ZINC000771079121	668730211	/nfs/dbraw/zinc/73/02/11/668730211.db2.gz	RHJOFSVQLJNUPV-UHFFFAOYSA-N	-1	0	321.358	0.539	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CSCCS2)CCC1	ZINC000771079201	668730237	/nfs/dbraw/zinc/73/02/37/668730237.db2.gz	RSQQXZOUSUJXCJ-VIFPVBQESA-N	-1	0	320.461	0.975	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCN(C)C2=O)n1	ZINC000772525376	668776431	/nfs/dbraw/zinc/77/64/31/668776431.db2.gz	YOQFUKPBDRHMED-UWVGGRQHSA-N	-1	0	321.358	0.649	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnc(N2CCCCC2)n1	ZINC000772712997	668781826	/nfs/dbraw/zinc/78/18/26/668781826.db2.gz	LLNHPPHMVZHAJA-UHFFFAOYSA-N	-1	0	310.379	0.713	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nc(C)n(-c2ccc(F)cc2)n1	ZINC000772710445	668781904	/nfs/dbraw/zinc/78/19/04/668781904.db2.gz	NPYVPSMSVSMCCT-UHFFFAOYSA-N	-1	0	324.337	0.960	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1	ZINC000772715040	668782075	/nfs/dbraw/zinc/78/20/75/668782075.db2.gz	CAOUWMRLXBLPMC-LLVKDONJSA-N	-1	0	323.374	0.062	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CSCC(=O)N1CCCCC1	ZINC000772726288	668783095	/nfs/dbraw/zinc/78/30/95/668783095.db2.gz	FGNXMKGVZALDNH-UHFFFAOYSA-N	-1	0	320.436	0.364	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1OC	ZINC000773634110	668810012	/nfs/dbraw/zinc/81/00/12/668810012.db2.gz	SWCZIAGZGNDRMT-UHFFFAOYSA-N	-1	0	307.306	0.590	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(-n2ccnc2)c1	ZINC000773975073	668818925	/nfs/dbraw/zinc/81/89/25/668818925.db2.gz	JLTLMMQISNRDSG-LBPRGKRZSA-N	-1	0	313.317	0.352	20	30		DCEDRM
C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776116354	668871077	/nfs/dbraw/zinc/87/10/77/668871077.db2.gz	OXWCJBXJBRWKIJ-SECBINFHSA-N	-1	0	303.384	0.287	20	30		DCEDRM
COC(=O)c1cccc(C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000776122750	668871489	/nfs/dbraw/zinc/87/14/89/668871489.db2.gz	SYWCUWBQLFTIIE-UHFFFAOYSA-N	-1	0	310.331	0.837	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cn(-c2ccccc2)nn1	ZINC000776123554	668871515	/nfs/dbraw/zinc/87/15/15/668871515.db2.gz	OTVFGJUIBORTEL-UHFFFAOYSA-N	-1	0	319.346	0.631	20	30		DCEDRM
Cn1ncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1C(F)F	ZINC000776143145	668871654	/nfs/dbraw/zinc/87/16/54/668871654.db2.gz	UAOBGQHWPJSGSI-UHFFFAOYSA-N	-1	0	320.321	0.967	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)OC2)C(=O)[O-]	ZINC000776588209	668878573	/nfs/dbraw/zinc/87/85/73/668878573.db2.gz	NTZIQDSZLGRQJL-LBPRGKRZSA-N	-1	0	323.326	0.502	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])CC1	ZINC000776598630	668878951	/nfs/dbraw/zinc/87/89/51/668878951.db2.gz	CJWWUDFWQHBUCK-NSHDSACASA-N	-1	0	316.379	0.479	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnc(OCCOC)c1	ZINC000777300893	668886194	/nfs/dbraw/zinc/88/61/94/668886194.db2.gz	ATGWLONVAZPNEH-GFCCVEGCSA-N	-1	0	303.318	0.731	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnc(OCCOC)c1	ZINC000777336212	668886454	/nfs/dbraw/zinc/88/64/54/668886454.db2.gz	LPHNNCYJCJMCCE-UHFFFAOYSA-N	-1	0	300.336	0.352	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1-n1cccn1	ZINC000778693327	668902748	/nfs/dbraw/zinc/90/27/48/668902748.db2.gz	VGQKXQMYAVVABD-UHFFFAOYSA-N	-1	0	309.351	0.160	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)CCCC1	ZINC000779318511	668909750	/nfs/dbraw/zinc/90/97/50/668909750.db2.gz	RKWGGVSVMKBTJY-SNVBAGLBSA-N	-1	0	313.379	0.043	20	30		DCEDRM
N#CCc1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)c1	ZINC000780604829	668999008	/nfs/dbraw/zinc/99/90/08/668999008.db2.gz	CNSPWDAIAQWQOH-CYBMUJFWSA-N	-1	0	308.359	0.991	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(OC)cc1	ZINC000782627991	669113020	/nfs/dbraw/zinc/11/30/20/669113020.db2.gz	VIRNEFAOIQYUBL-UHFFFAOYSA-N	-1	0	312.347	0.057	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000783123292	669143976	/nfs/dbraw/zinc/14/39/76/669143976.db2.gz	GCFHEXCONYNFGZ-AAEUAGOBSA-N	-1	0	305.396	0.840	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1nccs1	ZINC000783125624	669144719	/nfs/dbraw/zinc/14/47/19/669144719.db2.gz	MKYJWJIRKABWIW-SECBINFHSA-N	-1	0	301.393	0.744	20	30		DCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cn(C)c(Cl)n1	ZINC000783609205	669163768	/nfs/dbraw/zinc/16/37/68/669163768.db2.gz	YJAHCUHHKHMHJY-UHFFFAOYSA-N	-1	0	314.758	0.962	20	30		DCEDRM
Cc1nnc(NN=Cc2cn(Cc3cccnc3)nn2)[n-]c1=O	ZINC000783805333	669176381	/nfs/dbraw/zinc/17/63/81/669176381.db2.gz	JIAKSGSKFLMXIC-UHFFFAOYSA-N	-1	0	311.309	0.366	20	30		DCEDRM
C#CCOCCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000784365190	669201444	/nfs/dbraw/zinc/20/14/44/669201444.db2.gz	IOJYCFAUSHCKQL-UHFFFAOYSA-N	-1	0	300.274	0.390	20	30		DCEDRM
COc1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)cc1C#N	ZINC000785400818	669253323	/nfs/dbraw/zinc/25/33/23/669253323.db2.gz	DBOFTMOLWATFIH-QWHCGFSZSA-N	-1	0	304.302	0.815	20	30		DCEDRM
CSCCO[N-]C(=O)C(=O)NCc1ccc(C)c(C#N)c1	ZINC000932478579	669371038	/nfs/dbraw/zinc/37/10/38/669371038.db2.gz	LKTSEPRRJTXNLJ-UHFFFAOYSA-N	-1	0	307.375	0.894	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)ccc1F	ZINC000788343293	669432861	/nfs/dbraw/zinc/43/28/61/669432861.db2.gz	KOMUTTQRASISIR-SECBINFHSA-N	-1	0	307.281	0.720	20	30		DCEDRM
C#CC[C@@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1	ZINC000882339983	669504507	/nfs/dbraw/zinc/50/45/07/669504507.db2.gz	MNUZAOQJDHZKMS-WLRWDXFRSA-N	-1	0	316.404	0.362	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)C(=O)[N-]OCCOC)cc1	ZINC000789828118	669512858	/nfs/dbraw/zinc/51/28/58/669512858.db2.gz	WUGAVCYIPBPQHO-UHFFFAOYSA-N	-1	0	321.333	0.235	20	30		DCEDRM
N#Cc1nc(NC(=O)CC(=O)NCC(F)(F)F)[n-]c1C#N	ZINC000789901998	669516177	/nfs/dbraw/zinc/51/61/77/669516177.db2.gz	CTABENSCDRFCHB-UHFFFAOYSA-N	-1	0	300.200	0.160	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COCc2cccnc2)CC1	ZINC000805916011	669542103	/nfs/dbraw/zinc/54/21/03/669542103.db2.gz	PWEHPTZSQNQUAY-UHFFFAOYSA-N	-1	0	309.347	0.348	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H](C)NC(=O)C1CCCC1	ZINC000791111509	669594253	/nfs/dbraw/zinc/59/42/53/669594253.db2.gz	TXKRJYGZYVERIA-NSHDSACASA-N	-1	0	314.407	0.541	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CS2	ZINC000791111780	669594574	/nfs/dbraw/zinc/59/45/74/669594574.db2.gz	ZBSIUDLCHRXVGW-UHFFFAOYSA-N	-1	0	324.383	0.814	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1	ZINC000791111268	669594595	/nfs/dbraw/zinc/59/45/95/669594595.db2.gz	ROQGNZQZXUYISO-UHFFFAOYSA-N	-1	0	321.358	0.299	20	30		DCEDRM
COc1cncc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000791761191	669627849	/nfs/dbraw/zinc/62/78/49/669627849.db2.gz	ADECRXVAJQLVIJ-UHFFFAOYSA-N	-1	0	318.314	0.476	20	30		DCEDRM
C=C(C)C[C@@H](CO)N=c1nn[n-]n1Cc1ccc(OC)cc1	ZINC000883007552	669638967	/nfs/dbraw/zinc/63/89/67/669638967.db2.gz	ZHFOBRUAJTYDPK-ZDUSSCGKSA-N	-1	0	303.366	0.891	20	30		DCEDRM
CC[C@@H](NN=C(C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-]	ZINC000793070432	669700782	/nfs/dbraw/zinc/70/07/82/669700782.db2.gz	AZAYTKQCLNAQCN-SECBINFHSA-N	-1	0	304.306	0.393	20	30		DCEDRM
CC[C@H](NN=C1C(=O)Nc2cc3c(cc21)OCCO3)C(=O)[O-]	ZINC000793082007	669701353	/nfs/dbraw/zinc/70/13/53/669701353.db2.gz	RWWYAOFEOAXVRD-QMMMGPOBSA-N	-1	0	305.290	0.567	20	30		DCEDRM
CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(C)n2)n1	ZINC000793122940	669702202	/nfs/dbraw/zinc/70/22/02/669702202.db2.gz	AWWLWSWAMRUNGO-ZETCQYMHSA-N	-1	0	305.319	0.938	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCC2CCOCC2)CC1	ZINC000793194058	669706764	/nfs/dbraw/zinc/70/67/64/669706764.db2.gz	FHEZJLYHFROGGI-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(CC(=O)C(C)(C)C)nn1	ZINC000132664276	669738443	/nfs/dbraw/zinc/73/84/43/669738443.db2.gz	WFWNKWSBYXONIW-SNVBAGLBSA-N	-1	0	319.365	0.740	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)c1cccc2n[nH]nc21)C1CC1	ZINC000800210556	669839506	/nfs/dbraw/zinc/83/95/06/669839506.db2.gz	RXMRTGJXSIVWQE-HNNXBMFYSA-N	-1	0	313.317	0.923	20	30		DCEDRM
N#CC[C@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1	ZINC000796825794	669943976	/nfs/dbraw/zinc/94/39/76/669943976.db2.gz	BGHVFNCMJQLWRQ-LLVKDONJSA-N	-1	0	309.347	0.005	20	30		DCEDRM
COC(=O)c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)[nH]1	ZINC000796981135	669951225	/nfs/dbraw/zinc/95/12/25/669951225.db2.gz	KTDJGIUQOVHALS-QMMMGPOBSA-N	-1	0	300.274	0.740	20	30		DCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)/C=C\c1ccccc1C#N	ZINC000797286532	669962625	/nfs/dbraw/zinc/96/26/25/669962625.db2.gz	XIKNNHVLHLUJLP-DMEOUFDRSA-N	-1	0	322.342	0.579	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H](COC)c1ccco1)C(=O)[O-]	ZINC000797721576	669973647	/nfs/dbraw/zinc/97/36/47/669973647.db2.gz	BKVXOEJSZJWPSE-WDEREUQCSA-N	-1	0	312.322	0.922	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCCc2c[nH]nc21)C(=O)[O-]	ZINC000797724430	669974283	/nfs/dbraw/zinc/97/42/83/669974283.db2.gz	LXGNFRBHCUHYJC-MNOVXSKESA-N	-1	0	308.338	0.742	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)Cc1c(C)nn(C)c1C	ZINC000798203014	669992143	/nfs/dbraw/zinc/99/21/43/669992143.db2.gz	QLQXPDMKZUVDGD-SNVBAGLBSA-N	-1	0	311.407	0.685	20	30		DCEDRM
CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000798831032	670026284	/nfs/dbraw/zinc/02/62/84/670026284.db2.gz	YZUOOCVIGOPAQM-ZJUUUORDSA-N	-1	0	313.383	0.593	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)c1	ZINC000810521379	670488209	/nfs/dbraw/zinc/48/82/09/670488209.db2.gz	UKDNFFIEPZHLKU-UHFFFAOYSA-N	-1	0	318.314	0.266	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(NC(C)=O)cc1	ZINC000810771177	670496666	/nfs/dbraw/zinc/49/66/66/670496666.db2.gz	HLUWJSBXSQLUNT-UHFFFAOYSA-N	-1	0	308.359	0.657	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1ccccc1C(N)=O	ZINC000810773690	670496896	/nfs/dbraw/zinc/49/68/96/670496896.db2.gz	LQQHPFDOVHKHSM-UHFFFAOYSA-N	-1	0	308.359	0.187	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnc(OCC(F)F)c1	ZINC000810773503	670497002	/nfs/dbraw/zinc/49/70/02/670497002.db2.gz	HLSPIZUYAVYBTG-UHFFFAOYSA-N	-1	0	318.301	0.808	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-c2n[nH]c(C)n2)cc1	ZINC000810777870	670497279	/nfs/dbraw/zinc/49/72/79/670497279.db2.gz	JSXAUVFEJQZPFN-UHFFFAOYSA-N	-1	0	318.358	0.863	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCN(CC(F)(F)F)C1	ZINC000810782028	670497687	/nfs/dbraw/zinc/49/76/87/670497687.db2.gz	GGMYGSCFOAFTIU-VIFPVBQESA-N	-1	0	312.313	0.340	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(CC(F)(F)F)C1	ZINC000810782027	670497832	/nfs/dbraw/zinc/49/78/32/670497832.db2.gz	GGMYGSCFOAFTIU-SECBINFHSA-N	-1	0	312.313	0.340	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(CC(F)(F)F)nc1C	ZINC000810785716	670497981	/nfs/dbraw/zinc/49/79/81/670497981.db2.gz	OTBLZDFLIJSJOP-UHFFFAOYSA-N	-1	0	323.296	0.837	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(C(=O)NC2CC2)c1	ZINC000810785018	670498046	/nfs/dbraw/zinc/49/80/46/670498046.db2.gz	UYAQTYHMJPLVMX-UHFFFAOYSA-N	-1	0	320.370	0.662	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000810785864	670498053	/nfs/dbraw/zinc/49/80/53/670498053.db2.gz	SQDXURCHUXBTHW-UHFFFAOYSA-N	-1	0	308.315	0.100	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000810830311	670498865	/nfs/dbraw/zinc/49/88/65/670498865.db2.gz	NAVLXFGAOBGBQW-LBPRGKRZSA-N	-1	0	317.367	0.599	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2(C(=O)OCC)CC2)CC1	ZINC000810979747	670501915	/nfs/dbraw/zinc/50/19/15/670501915.db2.gz	INLKCZYGQHUOTI-UHFFFAOYSA-N	-1	0	301.364	0.884	20	30		DCEDRM
COc1ccc(C(=O)/C=C\c2cn(CC(=O)[O-])nn2)cc1O	ZINC000811696842	670542008	/nfs/dbraw/zinc/54/20/08/670542008.db2.gz	AKMDOINCKMIQNN-ARJAWSKDSA-N	-1	0	303.274	0.973	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000812784959	670596012	/nfs/dbraw/zinc/59/60/12/670596012.db2.gz	BBVVMCMZPKRNIM-UHFFFAOYSA-N	-1	0	305.246	0.001	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ncn(C(C)(C)C)n1	ZINC000813059348	670609184	/nfs/dbraw/zinc/60/91/84/670609184.db2.gz	ZGISWJYGATUZIE-JTQLQIEISA-N	-1	0	307.354	0.508	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1CC(F)(F)F	ZINC000813095347	670611077	/nfs/dbraw/zinc/61/10/77/670611077.db2.gz	SAYHIRCKOXHAIH-VIFPVBQESA-N	-1	0	312.313	0.482	20	30		DCEDRM
COc1ccc(OC)c([C@H](O)Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC000848438487	670682734	/nfs/dbraw/zinc/68/27/34/670682734.db2.gz	UEUOXOUPVZFKDI-GFCCVEGCSA-N	-1	0	317.301	0.159	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O	ZINC000855603946	670734680	/nfs/dbraw/zinc/73/46/80/670734680.db2.gz	VXUSICOYVGLOFL-ZDUSSCGKSA-N	-1	0	300.314	0.988	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc2nncn2c1	ZINC000113651610	670755620	/nfs/dbraw/zinc/75/56/20/670755620.db2.gz	ZUYZPOLWJLJLOJ-GFCCVEGCSA-N	-1	0	315.333	0.595	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H](C)CC(F)(F)F	ZINC000849218773	670765782	/nfs/dbraw/zinc/76/57/82/670765782.db2.gz	ILPOKVJFNOUQMW-MRVPVSSYSA-N	-1	0	301.286	0.925	20	30		DCEDRM
C#CC[C@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1	ZINC000849331910	670777842	/nfs/dbraw/zinc/77/78/42/670777842.db2.gz	FBUGLFONHZKURA-NSHDSACASA-N	-1	0	311.363	0.392	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000816094958	670786626	/nfs/dbraw/zinc/78/66/26/670786626.db2.gz	KVGBSHKTDDDXPE-UHFFFAOYSA-N	-1	0	301.274	0.970	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC000816492401	670816590	/nfs/dbraw/zinc/81/65/90/670816590.db2.gz	RPWHXYIYBIECOR-UHFFFAOYSA-N	-1	0	312.333	0.504	20	30		DCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000816690268	670839096	/nfs/dbraw/zinc/83/90/96/670839096.db2.gz	MRMRHCURJXFOSN-VIFPVBQESA-N	-1	0	320.280	0.437	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])c1ccccc1	ZINC000817111083	670895488	/nfs/dbraw/zinc/89/54/88/670895488.db2.gz	SQZGDIVKEOBGCU-CYBMUJFWSA-N	-1	0	302.330	0.848	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCOC2	ZINC000850756506	670938524	/nfs/dbraw/zinc/93/85/24/670938524.db2.gz	AYVVDYXOQFEFNI-AWEZNQCLSA-N	-1	0	302.330	0.844	20	30		DCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000850888969	670953011	/nfs/dbraw/zinc/95/30/11/670953011.db2.gz	UXWAWGYHOBVCEG-UHFFFAOYSA-N	-1	0	303.384	0.400	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccnn2C(F)F)CC1	ZINC000850941036	670956274	/nfs/dbraw/zinc/95/62/74/670956274.db2.gz	XMWSQUXTMLRIQP-UHFFFAOYSA-N	-1	0	304.278	0.642	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1COC[C@@H]1c1ccccc1	ZINC000851000346	670960237	/nfs/dbraw/zinc/96/02/37/670960237.db2.gz	SNFAXBBGQMDSTK-KGLIPLIRSA-N	-1	0	307.371	0.886	20	30		DCEDRM
C=CCn1cc(C(=O)N2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)nn1	ZINC000851614578	670999751	/nfs/dbraw/zinc/99/97/51/670999751.db2.gz	PMLYHCGWFCDFTR-AWEZNQCLSA-N	-1	0	308.313	0.883	20	30		DCEDRM
Cc1nc(Cl)cc(N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)n1	ZINC000858681473	671031027	/nfs/dbraw/zinc/03/10/27/671031027.db2.gz	ISDVBBOMJOXJIV-UHFFFAOYSA-N	-1	0	318.724	0.634	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)CCC(C)C)nn1	ZINC000820048181	671158793	/nfs/dbraw/zinc/15/87/93/671158793.db2.gz	MSWHUFXAFPUCSV-UHFFFAOYSA-N	-1	0	300.384	0.960	20	30		DCEDRM
COc1ccc(C(=O)C(=O)N[C@H]2CCN(O)C2=O)cc1Cl	ZINC000820149868	671172238	/nfs/dbraw/zinc/17/22/38/671172238.db2.gz	RYHYEOYGVLTLMC-VIFPVBQESA-N	-1	0	312.709	0.638	20	30		DCEDRM
C[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C(C)(C)C1	ZINC000820527698	671208194	/nfs/dbraw/zinc/20/81/94/671208194.db2.gz	QTRCSHFJBXZBED-SNVBAGLBSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)N=S(C)(C)=O)n1	ZINC000820802391	671229250	/nfs/dbraw/zinc/22/92/50/671229250.db2.gz	SLDRAWMDESFPTD-UHFFFAOYSA-N	-1	0	319.412	0.894	20	30		DCEDRM
C=CCO[N-]C(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O	ZINC000821900308	671297782	/nfs/dbraw/zinc/29/77/82/671297782.db2.gz	HPGNNFLREQFYTE-NSHDSACASA-N	-1	0	312.366	0.801	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2nn[nH]n2)s1	ZINC000822802223	671345799	/nfs/dbraw/zinc/34/57/99/671345799.db2.gz	XKPQBPYCGYPWGS-QMMMGPOBSA-N	-1	0	316.346	0.873	20	30		DCEDRM
N#CCNC(=O)C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1	ZINC000822903237	671353588	/nfs/dbraw/zinc/35/35/88/671353588.db2.gz	IOKSKSBWPUPKMN-UHFFFAOYSA-N	-1	0	303.215	0.813	20	30		DCEDRM
C=C(C)CN(CC)C(=O)COC(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000823474387	671395477	/nfs/dbraw/zinc/39/54/77/671395477.db2.gz	OPKFQUKUHDDHNJ-LLVKDONJSA-N	-1	0	314.338	0.333	20	30		DCEDRM
CC(=O)Nc1nc(Cn2cnc(-c3nnn[n-]3)c2C#N)cs1	ZINC000824005399	671415732	/nfs/dbraw/zinc/41/57/32/671415732.db2.gz	QJCJOJBAMDJNKO-UHFFFAOYSA-N	-1	0	315.322	0.398	20	30		DCEDRM
C#CC[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000824868553	671442690	/nfs/dbraw/zinc/44/26/90/671442690.db2.gz	BSPNRJJGILWVOK-NSHDSACASA-N	-1	0	300.318	0.082	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000828389604	671551663	/nfs/dbraw/zinc/55/16/63/671551663.db2.gz	MDDYBHKWFXTRRN-SECBINFHSA-N	-1	0	316.310	0.787	20	30		DCEDRM
CN(C)S(=O)(=O)c1cccc(CN(CC#N)CC(=O)[O-])c1	ZINC000830626576	671634644	/nfs/dbraw/zinc/63/46/44/671634644.db2.gz	HPUHQWHEIXJQCT-UHFFFAOYSA-N	-1	0	311.363	0.347	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)C2(n3cnnn3)CCOCC2)c1	ZINC000831272568	671662362	/nfs/dbraw/zinc/66/23/62/671662362.db2.gz	WYGKVBCDNSIAMP-UHFFFAOYSA-N	-1	0	314.305	0.395	20	30		DCEDRM
COc1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)ccc1C#N	ZINC000832125547	671701904	/nfs/dbraw/zinc/70/19/04/671701904.db2.gz	DOPZGILGFOVCAX-VIFPVBQESA-N	-1	0	300.322	0.956	20	30		DCEDRM
C#C[C@@H](NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CCCO1	ZINC000832411271	671718351	/nfs/dbraw/zinc/71/83/51/671718351.db2.gz	CLYRIDIPSXTNEM-OLZOCXBDSA-N	-1	0	313.313	0.941	20	30		DCEDRM
CCCC[C@@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835410140	671795439	/nfs/dbraw/zinc/79/54/39/671795439.db2.gz	DUQHSYKZUDZVHI-SNVBAGLBSA-N	-1	0	318.399	0.224	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000835409492	671795524	/nfs/dbraw/zinc/79/55/24/671795524.db2.gz	IEVSLYAIYMMZNC-UHFFFAOYSA-N	-1	0	306.347	0.598	20	30		DCEDRM
C[C@@H](Oc1cccc(F)c1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835411335	671795867	/nfs/dbraw/zinc/79/58/67/671795867.db2.gz	IUOOSCCREDMNDA-SECBINFHSA-N	-1	0	300.311	0.953	20	30		DCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cnc(Cl)n1C	ZINC000837292778	671855689	/nfs/dbraw/zinc/85/56/89/671855689.db2.gz	QYJSDIUCLWHVJB-ZETCQYMHSA-N	-1	0	307.759	0.771	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)NCCCCC(=O)[O-]	ZINC000840984763	671908022	/nfs/dbraw/zinc/90/80/22/671908022.db2.gz	HOVKRFQZZIHIRV-UHFFFAOYSA-N	-1	0	305.338	0.919	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)OC	ZINC000841539844	671941301	/nfs/dbraw/zinc/94/13/01/671941301.db2.gz	LZFMXXZEDZEYOS-CYBMUJFWSA-N	-1	0	324.333	0.682	20	30		DCEDRM
C[C@H]1CCN(c2cccc(S(N)(=O)=O)c2C#N)C[C@H]1C(=O)[O-]	ZINC000843034907	672055261	/nfs/dbraw/zinc/05/52/61/672055261.db2.gz	DXQNJNTYHQIGCX-GXSJLCMTSA-N	-1	0	323.374	0.753	20	30		DCEDRM
C=CC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])c1ccncc1	ZINC000843257005	672074848	/nfs/dbraw/zinc/07/48/48/672074848.db2.gz	JSJRTNPIYCRZBS-LBPRGKRZSA-N	-1	0	305.334	0.796	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1	ZINC000843258141	672075473	/nfs/dbraw/zinc/07/54/73/672075473.db2.gz	ZALVWIDEDBWPII-KGLIPLIRSA-N	-1	0	314.341	0.654	20	30		DCEDRM
O=C([O-])C1(C(=O)NCCNC(=O)C2N=CC=CC2=O)CCCC1	ZINC000844156140	672154051	/nfs/dbraw/zinc/15/40/51/672154051.db2.gz	JJHVXTDJYWMKJE-QXMHVHEDSA-N	-1	0	321.333	0.274	20	30		DCEDRM
CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cnn(CC#N)c1	ZINC000844651741	672191841	/nfs/dbraw/zinc/19/18/41/672191841.db2.gz	RKGWWNHHMCWHBI-LLVKDONJSA-N	-1	0	314.367	0.880	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	ZINC000844786547	672202644	/nfs/dbraw/zinc/20/26/44/672202644.db2.gz	BDOPLBWEMCQYSM-KOLCDFICSA-N	-1	0	303.384	0.556	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844818572	672204754	/nfs/dbraw/zinc/20/47/54/672204754.db2.gz	SJHBQBJDVGFDNU-UHFFFAOYSA-N	-1	0	311.363	0.217	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)NCC(=O)[N-]OCC	ZINC000845546863	672259323	/nfs/dbraw/zinc/25/93/23/672259323.db2.gz	YCXRZDMKOKREEW-UHFFFAOYSA-N	-1	0	305.334	0.566	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(CC(=O)NC)cc1	ZINC000846150231	672297604	/nfs/dbraw/zinc/29/76/04/672297604.db2.gz	BXMUSAUNWUAOKJ-UHFFFAOYSA-N	-1	0	305.334	0.538	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)Cn1cc(Br)c(=O)[nH]c1=O	ZINC000846543316	672326559	/nfs/dbraw/zinc/32/65/59/672326559.db2.gz	NWNGVCROGOQRPY-LURJTMIESA-N	-1	0	318.127	0.334	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C2CCSCC2)c1	ZINC000813985095	685351679	/nfs/dbraw/zinc/35/16/79/685351679.db2.gz	NJHONLYKOYNSSS-UHFFFAOYSA-N	-1	0	311.388	0.901	20	30		DCEDRM
COc1cccc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)n1	ZINC000813985029	685351727	/nfs/dbraw/zinc/35/17/27/685351727.db2.gz	KMVNGBUVZLBYGB-UHFFFAOYSA-N	-1	0	318.314	0.476	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1)n1cnc(C#N)n1	ZINC000798814884	685347222	/nfs/dbraw/zinc/34/72/22/685347222.db2.gz	ZUALJLNYXNQAQA-JTQLQIEISA-N	-1	0	319.346	0.357	20	30		DCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CCC(=O)NC1	ZINC000798813491	685347309	/nfs/dbraw/zinc/34/73/09/685347309.db2.gz	VTYZKLHMASSECY-CQSZACIVSA-N	-1	0	321.358	0.279	20	30		DCEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)n2cnc(C#N)n2)c(C)o1	ZINC000798849016	685348071	/nfs/dbraw/zinc/34/80/71/685348071.db2.gz	OLWHKTZKOFRMCB-MRVPVSSYSA-N	-1	0	323.334	0.426	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]C(=O)CCCC#N)c(C)o1	ZINC000842882294	685367073	/nfs/dbraw/zinc/36/70/73/685367073.db2.gz	PUPMLEUAZDLGCX-UHFFFAOYSA-N	-1	0	314.319	0.873	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@]12C[C@@H]1COC2(C)C	ZINC000850928210	685370803	/nfs/dbraw/zinc/37/08/03/685370803.db2.gz	CPDBVIZDLCOTGR-NOZJJQNGSA-N	-1	0	300.380	0.797	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000092479832	685108260	/nfs/dbraw/zinc/10/82/60/685108260.db2.gz	XCRNQBPPFRGTBE-UHFFFAOYSA-N	-1	0	312.303	0.444	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)c1[O-]	ZINC000958367785	687590328	/nfs/dbraw/zinc/59/03/28/687590328.db2.gz	AQKSRYONLIGCMD-QXFUBDJGSA-N	-1	0	305.338	0.160	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)c1[O-]	ZINC001008048837	690792323	/nfs/dbraw/zinc/79/23/23/690792323.db2.gz	PUWUJIQIMMBZMN-SCZZXKLOSA-N	-1	0	319.365	0.550	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001011010137	691437240	/nfs/dbraw/zinc/43/72/40/691437240.db2.gz	TVOMEWNIJNDOLR-UHFFFAOYSA-N	-1	0	306.366	0.920	20	30		DCEDRM
C=C1CCC(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001015659710	692384786	/nfs/dbraw/zinc/38/47/86/692384786.db2.gz	IMZLWYKMGCGXKM-LBPRGKRZSA-N	-1	0	305.382	0.947	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001744910998	1157694424	/nfs/dbraw/zinc/69/44/24/1157694424.db2.gz	LSWRHXDOSDUUEH-PSLIRLAXSA-N	-1	0	324.381	0.375	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N(CC)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001745300772	1157883415	/nfs/dbraw/zinc/88/34/15/1157883415.db2.gz	IUYMGMSCDFVNMJ-NSHDSACASA-N	-1	0	324.381	0.593	20	30		DCEDRM
C#CCCCC(=O)N1CC([C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001571941001	1162978062	/nfs/dbraw/zinc/97/80/62/1162978062.db2.gz	NVHVRLRBDQLFET-SNVBAGLBSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C#CCN1C(=O)COCC12CN(Cc1sccc1C(=O)[O-])C2	ZINC001273678879	1158897665	/nfs/dbraw/zinc/89/76/65/1158897665.db2.gz	BLKLNFQWUUCTND-UHFFFAOYSA-N	-1	0	320.370	0.493	20	30		DCEDRM
CC1CC(C#N)(C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)C1	ZINC001567089515	1160237917	/nfs/dbraw/zinc/23/79/17/1160237917.db2.gz	JGSANAXLMBNMNW-UHFFFAOYSA-N	-1	0	309.347	0.918	20	30		DCEDRM
C=CCC(C)(C)C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001572319629	1163111046	/nfs/dbraw/zinc/11/10/46/1163111046.db2.gz	FOBBDUYPBSRKBM-JTQLQIEISA-N	-1	0	324.381	0.233	20	30		DCEDRM
C=CCCCC(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001569897593	1161306744	/nfs/dbraw/zinc/30/67/44/1161306744.db2.gz	GFOAMPVCJSFMCG-HNNXBMFYSA-N	-1	0	323.397	0.310	20	30		DCEDRM
C=CCn1cccc1C(=O)NCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001573378655	1163420262	/nfs/dbraw/zinc/42/02/62/1163420262.db2.gz	ISYXJUFXPRMDLR-MNOVXSKESA-N	-1	0	305.334	0.241	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)[C@@]1(C#N)CC2CCC1CC2)C(=O)[O-]	ZINC001573553561	1163493155	/nfs/dbraw/zinc/49/31/55/1163493155.db2.gz	MAJQCZTYUFMAIL-SJWUYQHDSA-N	-1	0	321.377	0.800	20	30		DCEDRM
C[C@H](NC(=O)Cc1ccc(C#N)nc1)c1nc(C(=O)[O-])n[nH]1	ZINC001573563323	1163502485	/nfs/dbraw/zinc/50/24/85/1163502485.db2.gz	SRVMBRJIEPGHKI-ZETCQYMHSA-N	-1	0	300.278	0.189	20	30		DCEDRM
CC[C@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)C[C@]1(F)C(=O)[O-]	ZINC001573826141	1163560753	/nfs/dbraw/zinc/56/07/53/1163560753.db2.gz	MYDRVPIKHBYZAI-JBLDHEPKSA-N	-1	0	321.374	0.600	20	30		DCEDRM
CN([C@@H]1CCC[C@H]1C#N)S(=O)(=O)Cc1cc(C(=O)[O-])no1	ZINC001573864525	1163572078	/nfs/dbraw/zinc/57/20/78/1163572078.db2.gz	IGMZWPSBQJEACO-GZMMTYOYSA-N	-1	0	313.335	0.827	20	30		DCEDRM
N#CCc1ccnc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)c1	ZINC001574242537	1163672004	/nfs/dbraw/zinc/67/20/04/1163672004.db2.gz	YSGPHQUPYNLKCB-MNOVXSKESA-N	-1	0	319.321	0.240	20	30		DCEDRM
N#Cc1cnc(N2CCC(C(=O)NCC(=O)[O-])CC2)c(F)c1	ZINC001574249595	1163674348	/nfs/dbraw/zinc/67/43/48/1163674348.db2.gz	YIXYGQZSNQJIGG-UHFFFAOYSA-N	-1	0	306.297	0.510	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@]2(C(=O)[O-])CCCOC2)o1	ZINC001574249493	1163674900	/nfs/dbraw/zinc/67/49/00/1163674900.db2.gz	JARZFSYAUWQDRA-LBPRGKRZSA-N	-1	0	314.319	0.311	20	30		DCEDRM
C[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)[C@H](O)C(F)(F)F	ZINC001575444917	1164016692	/nfs/dbraw/zinc/01/66/92/1164016692.db2.gz	NOHBUUFDUPUPEZ-NVNXEXLPSA-N	-1	0	314.231	0.252	20	30		DCEDRM
C[C@H]1Cc2n[nH]cc2CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001576386978	1164321077	/nfs/dbraw/zinc/32/10/77/1164321077.db2.gz	XJVFACDZMBDZRX-QMMMGPOBSA-N	-1	0	322.336	0.450	20	30		DCEDRM
CC[C@H](C)C[C@@H](CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001576642850	1164421602	/nfs/dbraw/zinc/42/16/02/1164421602.db2.gz	ZTGAIKQLUYXHRG-IUCAKERBSA-N	-1	0	302.342	0.737	20	30		DCEDRM
C=CCCC(=O)NCCCN(C)C(=O)c1cnc([O-])n(C)c1=O	ZINC001576850432	1164494480	/nfs/dbraw/zinc/49/44/80/1164494480.db2.gz	AUQQHUVAEPSLPY-UHFFFAOYSA-N	-1	0	322.365	0.030	20	30		DCEDRM
CCNC(=O)C(C)(C)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001578227561	1164958766	/nfs/dbraw/zinc/95/87/66/1164958766.db2.gz	LWPZDTMPADGFBT-UHFFFAOYSA-N	-1	0	315.341	0.103	20	30		DCEDRM
COC(=O)CN(CC(C)C)c1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001579449166	1165313418	/nfs/dbraw/zinc/31/34/18/1165313418.db2.gz	MPGGEXXYGVQWKT-UHFFFAOYSA-N	-1	0	316.325	0.164	20	30		DCEDRM
CO[C@@H](CNc1cnc(-c2nn[nH]n2)c(C#N)n1)C(F)(F)F	ZINC001579595013	1165354552	/nfs/dbraw/zinc/35/45/52/1165354552.db2.gz	VMLJXKXBUJDXNE-LURJTMIESA-N	-1	0	314.231	0.518	20	30		DCEDRM
Cc1c([C@@H]2C[C@H]2Nc2cnc(C#N)c(-c3nnn[n-]3)n2)cnn1C	ZINC001580561417	1165640071	/nfs/dbraw/zinc/64/00/71/1165640071.db2.gz	BAVSNAFDCKKNNT-WCBMZHEXSA-N	-1	0	322.336	0.538	20	30		DCEDRM
N#Cc1nc(NC(=O)CCNc2ccccc2)[n-]c1-c1nn[nH]n1	ZINC001581859963	1165891705	/nfs/dbraw/zinc/89/17/05/1165891705.db2.gz	FDCWLBDPBPCSBH-UHFFFAOYSA-N	-1	0	323.320	0.902	20	30		DCEDRM
N#Cc1ccc(OC2CN(c3ccnc(-c4nnn[n-]4)n3)C2)cc1	ZINC001581873777	1165896519	/nfs/dbraw/zinc/89/65/19/1165896519.db2.gz	OZGHZLFJIHYGBP-UHFFFAOYSA-N	-1	0	320.316	0.796	20	30		DCEDRM
N#Cc1ncc(NC[C@@H]2CSCCS2)nc1-c1nnn[n-]1	ZINC001581884033	1165905137	/nfs/dbraw/zinc/90/51/37/1165905137.db2.gz	HWNHZEFNLBENJR-SSDOTTSWSA-N	-1	0	320.407	0.789	20	30		DCEDRM
CC(C)C[C@H](C#N)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001584234217	1166316545	/nfs/dbraw/zinc/31/65/45/1166316545.db2.gz	IYIZKUALZVANCP-LLVKDONJSA-N	-1	0	303.322	0.265	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(C)(C)C	ZINC001588328355	1166523109	/nfs/dbraw/zinc/52/31/09/1166523109.db2.gz	FHNCXKSUSDNSIL-SECBINFHSA-N	-1	0	309.351	0.786	20	30		DCEDRM
C#CCCCCCn1c(=O)c(-c2nnn[n-]2)c(C)n(C)c1=O	ZINC001588345887	1166536091	/nfs/dbraw/zinc/53/60/91/1166536091.db2.gz	OSBSTURJGRVVJQ-UHFFFAOYSA-N	-1	0	302.338	0.229	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1ccsc1-c1nnn[n-]1	ZINC001588545726	1166559651	/nfs/dbraw/zinc/55/96/51/1166559651.db2.gz	MDGATAGEANJUFJ-SSDOTTSWSA-N	-1	0	315.380	0.144	20	30		DCEDRM
C=CCONC(=O)NCCNc1ccc(-c2nn[nH]n2)cn1	ZINC001588689480	1166581605	/nfs/dbraw/zinc/58/16/05/1166581605.db2.gz	KXGDGWWCXTVLEM-UHFFFAOYSA-N	-1	0	304.314	0.090	20	30		DCEDRM
CC#CC[C@H](CO)Nc1ccc(C(=O)OC)nc1-c1nn[nH]n1	ZINC001588737232	1166581991	/nfs/dbraw/zinc/58/19/91/1166581991.db2.gz	BPNVMPFCVZVQEF-SECBINFHSA-N	-1	0	316.321	0.235	20	30		DCEDRM
C=CCOCCOCCOC(=O)c1coc(-c2nn[nH]n2)c1	ZINC001588689822	1166582391	/nfs/dbraw/zinc/58/23/91/1166582391.db2.gz	RQERHHRISHRHFR-UHFFFAOYSA-N	-1	0	308.294	0.836	20	30		DCEDRM
CC(=O)c1ccc(C#N)cc1NCCn1cnc(-c2nnn[n-]2)n1	ZINC001588911980	1166616475	/nfs/dbraw/zinc/61/64/75/1166616475.db2.gz	LMYZUFKPKPPUGB-UHFFFAOYSA-N	-1	0	323.320	0.645	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)Cn1ccc(-c2nnn[n-]2)cc1=O	ZINC001590682103	1166972870	/nfs/dbraw/zinc/97/28/70/1166972870.db2.gz	BGLBHJLUNINHOV-JTQLQIEISA-N	-1	0	315.337	0.037	20	30		DCEDRM
CO[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1ccccc1	ZINC001591315743	1167210560	/nfs/dbraw/zinc/21/05/60/1167210560.db2.gz	IKBBAOCCXPBHCM-LLVKDONJSA-N	-1	0	324.304	0.788	20	30		DCEDRM
COc1cc(C#N)ccc1OCCn1cc(-c2nnn[n-]2)nn1	ZINC001591509397	1167316362	/nfs/dbraw/zinc/31/63/62/1167316362.db2.gz	VGSAWQRQUVCUND-UHFFFAOYSA-N	-1	0	312.293	0.417	20	30		DCEDRM
CSC[C@H]1CCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001591697998	1167360029	/nfs/dbraw/zinc/36/00/29/1167360029.db2.gz	FICWOOLSHBXCQK-MRVPVSSYSA-N	-1	0	302.367	0.860	20	30		DCEDRM
Cc1cc(CCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)no1	ZINC001591961983	1167425713	/nfs/dbraw/zinc/42/57/13/1167425713.db2.gz	UVNJVYOEQUWKFQ-UHFFFAOYSA-N	-1	0	313.281	0.329	20	30		DCEDRM
Cc1ccc(CN(C)c2cnc(C#N)c(-c3nnn[n-]3)n2)nc1	ZINC001592152463	1167462622	/nfs/dbraw/zinc/46/26/22/1167462622.db2.gz	PFTLQPBOPPXWKS-UHFFFAOYSA-N	-1	0	307.321	0.868	20	30		DCEDRM
Cc1ccc(CN(C)c2cnc(-c3nn[nH]n3)c(C#N)n2)nc1	ZINC001592152512	1167463380	/nfs/dbraw/zinc/46/33/80/1167463380.db2.gz	RTVQLYRCUPVGJC-UHFFFAOYSA-N	-1	0	307.321	0.868	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)N[C@H](C)C(C)C	ZINC001592335087	1167491865	/nfs/dbraw/zinc/49/18/65/1167491865.db2.gz	KXBPDMUIFGUJDR-MRVPVSSYSA-N	-1	0	302.342	0.404	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2nc(C#N)cs2)o1	ZINC001592338769	1167494396	/nfs/dbraw/zinc/49/43/96/1167494396.db2.gz	MOBTYASZUCMJFI-UHFFFAOYSA-N	-1	0	301.295	0.937	20	30		DCEDRM
Cc1noc(CCCNc2cnc(C#N)c(-c3nnn[n-]3)n2)n1	ZINC001592462837	1167532732	/nfs/dbraw/zinc/53/27/32/1167532732.db2.gz	RTTRQNSPULLJMU-UHFFFAOYSA-N	-1	0	312.297	0.265	20	30		DCEDRM
N#Cc1nc(NC(=O)c2coc(C3CC3)n2)[n-]c1-c1nn[nH]n1	ZINC001592681764	1167600855	/nfs/dbraw/zinc/60/08/55/1167600855.db2.gz	IKGQFLZQNZPUAR-UHFFFAOYSA-N	-1	0	311.265	0.579	20	30		DCEDRM
N#Cc1ccc(OCCOc2cnc(-c3nnn[n-]3)nc2)cc1	ZINC001592696013	1167602078	/nfs/dbraw/zinc/60/20/78/1167602078.db2.gz	XXEMOFRVRPUPFT-UHFFFAOYSA-N	-1	0	309.289	0.986	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CCOc1cccc(C#N)c1	ZINC001592700432	1167605350	/nfs/dbraw/zinc/60/53/50/1167605350.db2.gz	UQRVRBLKOSHRSA-UHFFFAOYSA-N	-1	0	321.304	0.468	20	30		DCEDRM
N#Cc1nc(Sc2n[nH]c(C3CC3)n2)cnc1-c1nnn[n-]1	ZINC001592707405	1167606994	/nfs/dbraw/zinc/60/69/94/1167606994.db2.gz	BSJWRAJYDJUZNG-UHFFFAOYSA-N	-1	0	312.322	0.675	20	30		DCEDRM
O=C(NCC#CCO)Nc1nc(Cl)c(-c2nnn[n-]2)s1	ZINC001593004334	1167684206	/nfs/dbraw/zinc/68/42/06/1167684206.db2.gz	NONXVHBRWGHEIB-UHFFFAOYSA-N	-1	0	313.730	0.094	20	30		DCEDRM
Cc1c(C(=O)[O-])cc(CNC(=O)N2CCO[C@@H](C#N)C2)n1C	ZINC001599989664	1168078224	/nfs/dbraw/zinc/07/82/24/1168078224.db2.gz	QTPARPZUCFQTHH-NSHDSACASA-N	-1	0	306.322	0.466	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c(C#N)c1	ZINC001600477460	1168189505	/nfs/dbraw/zinc/18/95/05/1168189505.db2.gz	DYVHBRFEVVYAAG-LBPRGKRZSA-N	-1	0	324.358	0.731	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCO[C@@](C)(C#N)C2)c(C(=O)[O-])c1	ZINC001600476963	1168189728	/nfs/dbraw/zinc/18/97/28/1168189728.db2.gz	YCUTTYNBVGEHLE-AWEZNQCLSA-N	-1	0	324.358	0.996	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N[C@H](CCF)C(=O)[O-]	ZINC001600509957	1168193868	/nfs/dbraw/zinc/19/38/68/1168193868.db2.gz	CEULTXHPLICZPT-SNVBAGLBSA-N	-1	0	300.311	0.958	20	30		DCEDRM
Cc1nnc2ccc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)cn12	ZINC001600801238	1168299857	/nfs/dbraw/zinc/29/98/57/1168299857.db2.gz	LTNXYNWHYPRFMA-UHFFFAOYSA-N	-1	0	313.317	0.868	20	30		DCEDRM
Cc1nsc(NC(=O)NC[C@]2(C(=O)[O-])CCOC2)c1C#N	ZINC001600820258	1168476943	/nfs/dbraw/zinc/47/69/43/1168476943.db2.gz	UVMLIIYNHXJXJY-GFCCVEGCSA-N	-1	0	310.335	0.936	20	30		DCEDRM
Cc1onc(CC(=O)Nc2nnc(CCC(=O)[O-])s2)c1C#N	ZINC001600864802	1168492038	/nfs/dbraw/zinc/49/20/38/1168492038.db2.gz	XMULUATZHZXZMG-UHFFFAOYSA-N	-1	0	321.318	0.905	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)n1	ZINC001600927512	1168512377	/nfs/dbraw/zinc/51/23/77/1168512377.db2.gz	OUGLEEQIMFBIBU-WCBMZHEXSA-N	-1	0	307.310	0.151	20	30		DCEDRM
Cn1ncc(Br)c1CN(CC#N)CCC(=O)[O-]	ZINC001601019973	1168545447	/nfs/dbraw/zinc/54/54/47/1168545447.db2.gz	VSWRTZFDLLNBDU-UHFFFAOYSA-N	-1	0	301.144	0.983	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)CC1	ZINC001601051873	1168577493	/nfs/dbraw/zinc/57/74/93/1168577493.db2.gz	WIWQFGQUVMKHEG-SNVBAGLBSA-N	-1	0	317.349	0.667	20	30		DCEDRM
N#CC1(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)CCOCC1	ZINC001601053800	1168578142	/nfs/dbraw/zinc/57/81/42/1168578142.db2.gz	UKIFGSINDHNIEK-LLVKDONJSA-N	-1	0	324.333	0.316	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2cncc(C(=O)[O-])c2)CCN1C1CC1	ZINC001601060642	1168578937	/nfs/dbraw/zinc/57/89/37/1168578937.db2.gz	GLTXXBUZJBDMQY-CYBMUJFWSA-N	-1	0	300.318	0.592	20	30		DCEDRM
N#CC[C@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])c1ccccc1	ZINC001601060683	1168578996	/nfs/dbraw/zinc/57/89/96/1168578996.db2.gz	LJROEBCAWPYOPC-STQMWFEESA-N	-1	0	313.317	0.545	20	30		DCEDRM
N#CCC1(CS(=O)(=O)NCc2ccc(C(=O)[O-])cn2)CC1	ZINC001601061939	1168579034	/nfs/dbraw/zinc/57/90/34/1168579034.db2.gz	AAQOBQRPHREHEC-UHFFFAOYSA-N	-1	0	309.347	0.893	20	30		DCEDRM
N#CC[C@@H](NC(=O)N[C@@]1(CC(=O)[O-])CCOC1)C(F)(F)F	ZINC001601062110	1168579388	/nfs/dbraw/zinc/57/93/88/1168579388.db2.gz	MROAKSHDHIQXEF-GMSGAONNSA-N	-1	0	309.244	0.764	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CCO1	ZINC001601063034	1168579645	/nfs/dbraw/zinc/57/96/45/1168579645.db2.gz	MZLYLQWEGAPPMP-LLVKDONJSA-N	-1	0	310.331	0.227	20	30		DCEDRM
N#CC[C@]1(O)CCN(CC(=O)Nc2nc(CC(=O)[O-])cs2)C1	ZINC001601062915	1168579714	/nfs/dbraw/zinc/57/97/14/1168579714.db2.gz	OVYCCFUZVATSCP-ZDUSSCGKSA-N	-1	0	324.362	0.059	20	30		DCEDRM
N#CCCN1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CC1	ZINC001601068387	1168580376	/nfs/dbraw/zinc/58/03/76/1168580376.db2.gz	WZKAGPYOWBVCQP-UHFFFAOYSA-N	-1	0	315.395	0.102	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(F)cc(N2CCOCC2)c1	ZINC001601069448	1168580721	/nfs/dbraw/zinc/58/07/21/1168580721.db2.gz	LZZNWFWIHVDQHQ-UHFFFAOYSA-N	-1	0	321.308	0.713	20	30		DCEDRM
N#CCN(CCC(=O)[O-])CC(=O)NCC(=O)c1cccs1	ZINC001601072052	1168580858	/nfs/dbraw/zinc/58/08/58/1168580858.db2.gz	CHQGACUBIFCCEI-UHFFFAOYSA-N	-1	0	309.347	0.347	20	30		DCEDRM
N#CCCn1ccc(NC(=O)N[C@]2(CC(=O)[O-])CCCOC2)n1	ZINC001601070476	1168580886	/nfs/dbraw/zinc/58/08/86/1168580886.db2.gz	OVAULHOCZXFMBY-AWEZNQCLSA-N	-1	0	321.337	0.942	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cnc(OCC2CC2)cn1	ZINC001601071893	1168580932	/nfs/dbraw/zinc/58/09/32/1168580932.db2.gz	LAESVOPSFWTNFZ-UHFFFAOYSA-N	-1	0	304.306	0.706	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)C1CN(C(=O)C2CCCCC2)C1	ZINC001601071339	1168581263	/nfs/dbraw/zinc/58/12/63/1168581263.db2.gz	ZYTDKLLAYDRJQB-UHFFFAOYSA-N	-1	0	321.377	0.852	20	30		DCEDRM
N#CCN(CCC(=O)N1CCc2ccccc2C1)CC(=O)[O-]	ZINC001601072385	1168581347	/nfs/dbraw/zinc/58/13/47/1168581347.db2.gz	PKTOXJBJUKCTMI-UHFFFAOYSA-N	-1	0	301.346	0.872	20	30		DCEDRM
N#CCN(CCC(=O)[O-])[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC001601072688	1168581471	/nfs/dbraw/zinc/58/14/71/1168581471.db2.gz	ZXKHZWAYAXACAX-AWEZNQCLSA-N	-1	0	312.329	0.964	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001601077683	1168582237	/nfs/dbraw/zinc/58/22/37/1168582237.db2.gz	AQHWLAXITXQJOC-KBPBESRZSA-N	-1	0	302.330	0.589	20	30		DCEDRM
N#Cc1c(CN2CCOC[C@H]2CC(N)=O)cccc1C(=O)[O-]	ZINC001601081845	1168583176	/nfs/dbraw/zinc/58/31/76/1168583176.db2.gz	NGWPZUAWQGNFGD-LLVKDONJSA-N	-1	0	303.318	0.333	20	30		DCEDRM
N#Cc1cc(=O)n(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cn1	ZINC001601085388	1168583495	/nfs/dbraw/zinc/58/34/95/1168583495.db2.gz	VEYSQZQQGGZDCM-UHFFFAOYSA-N	-1	0	300.230	0.770	20	30		DCEDRM
N#Cc1cc(CNC(=O)COCc2ocnc2C(=O)[O-])ccn1	ZINC001601087809	1168583636	/nfs/dbraw/zinc/58/36/36/1168583636.db2.gz	JZFPBKXWRWJZFF-UHFFFAOYSA-N	-1	0	316.273	0.472	20	30		DCEDRM
N#Cc1ccc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])[nH]1	ZINC001601091730	1168583862	/nfs/dbraw/zinc/58/38/62/1168583862.db2.gz	AUUYWSJYIUOTAI-OVVPUXAQSA-N	-1	0	316.317	0.009	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)cc1	ZINC001601097151	1168584482	/nfs/dbraw/zinc/58/44/82/1168584482.db2.gz	YSYMBPXTXFRWQC-GOEBONIOSA-N	-1	0	318.329	0.732	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c1	ZINC001601103794	1168585443	/nfs/dbraw/zinc/58/54/43/1168585443.db2.gz	OJXXGMJXJCNYHZ-ZDUSSCGKSA-N	-1	0	306.293	0.995	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC(=O)CC2)c(C(=O)[O-])c1	ZINC001601110975	1168586673	/nfs/dbraw/zinc/58/66/73/1168586673.db2.gz	PZZNHGMYRSJGKI-UHFFFAOYSA-N	-1	0	308.315	0.610	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)[C@@H]2CC[C@H](C(N)=O)O2)C(=O)[O-])c1	ZINC001601117216	1168587052	/nfs/dbraw/zinc/58/70/52/1168587052.db2.gz	ICPGPQUDBIOEER-GRYCIOLGSA-N	-1	0	318.285	0.260	20	30		DCEDRM
N#Cc1cccc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)c1	ZINC001601116822	1168587518	/nfs/dbraw/zinc/58/75/18/1168587518.db2.gz	PWVSPLMBEWGLRU-GFCCVEGCSA-N	-1	0	302.286	0.791	20	30		DCEDRM
N#Cc1cccc([C@@H]2CN(Cn3cnc(C(=O)[O-])n3)CCO2)c1	ZINC001601119986	1168587709	/nfs/dbraw/zinc/58/77/09/1168587709.db2.gz	DADPKHUDZYWDKY-ZDUSSCGKSA-N	-1	0	313.317	0.879	20	30		DCEDRM
N#Cc1cccc(N2CCN(c3ccc(C(=O)[O-])nn3)CC2)n1	ZINC001601122782	1168588193	/nfs/dbraw/zinc/58/81/93/1168588193.db2.gz	TYCWRZVUZRIHAG-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1	ZINC001601121815	1168588732	/nfs/dbraw/zinc/58/87/32/1168588732.db2.gz	VUEVETDTGNGOTF-OCCSQVGLSA-N	-1	0	304.302	0.374	20	30		DCEDRM
N#Cc1ccnc(Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)c1	ZINC001601127818	1168589400	/nfs/dbraw/zinc/58/94/00/1168589400.db2.gz	YQKUWOBUNXTDMS-UHFFFAOYSA-N	-1	0	300.230	0.770	20	30		DCEDRM
N#Cc1cnc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c(Cl)c1	ZINC001601129217	1168589459	/nfs/dbraw/zinc/58/94/59/1168589459.db2.gz	RSGZEGNHGQSBAY-DTWKUNHWSA-N	-1	0	309.709	0.514	20	30		DCEDRM
N#Cc1cnc(N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)cn1	ZINC001601129968	1168590638	/nfs/dbraw/zinc/59/06/38/1168590638.db2.gz	CFZLTCNECLKKOI-OAHLLOKOSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1cnc(NC[C@H](O)CC(=O)[O-])c(Br)c1	ZINC001601131055	1168590746	/nfs/dbraw/zinc/59/07/46/1168590746.db2.gz	YWBVMYUSJXCWTM-SSDOTTSWSA-N	-1	0	300.112	0.963	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)n1	ZINC001601135459	1168592417	/nfs/dbraw/zinc/59/24/17/1168592417.db2.gz	XUKCVEPGIOWKKD-UHFFFAOYSA-N	-1	0	321.680	0.846	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)n1	ZINC001601135228	1168592442	/nfs/dbraw/zinc/59/24/42/1168592442.db2.gz	KYSLEIWARNCEDF-QMTHXVAHSA-N	-1	0	303.322	0.253	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)Cc2cccc(C(=O)[O-])c2)c1N	ZINC001601131823	1168593479	/nfs/dbraw/zinc/59/34/79/1168593479.db2.gz	SNHFHKWKFXSIIK-UHFFFAOYSA-N	-1	0	314.301	0.821	20	30		DCEDRM
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCC#Cc1ccccc1	ZINC001601446470	1168749210	/nfs/dbraw/zinc/74/92/10/1168749210.db2.gz	OXKSOMYQIMBZGU-ZIAGYGMSSA-N	-1	0	302.330	0.827	20	30		DCEDRM
O=C([O-])[C@H]1CSCCN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC001601860445	1168919526	/nfs/dbraw/zinc/91/95/26/1168919526.db2.gz	SPFVFXLPRQNKGL-LLVKDONJSA-N	-1	0	319.338	0.795	20	30		DCEDRM
O=C([O-])c1ccc(O)c(C=NN[C@H]2CCCS(=O)(=O)C2)c1	ZINC001602385546	1169067083	/nfs/dbraw/zinc/06/70/83/1169067083.db2.gz	MYESQIOIYCFTAV-NSHDSACASA-N	-1	0	312.347	0.591	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)C1	ZINC001602679603	1169156736	/nfs/dbraw/zinc/15/67/36/1169156736.db2.gz	ZEHAIKLCDODTCV-UHFFFAOYSA-N	-1	0	320.276	0.272	20	30		DCEDRM
C#C[C@@H](NC(=O)Nc1nc2n(c1C(=O)[O-])CCC2)[C@H]1CCCO1	ZINC001602674874	1169156998	/nfs/dbraw/zinc/15/69/98/1169156998.db2.gz	XBJUGPRJGYKVBY-NXEZZACHSA-N	-1	0	318.333	0.830	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC001602682764	1169158338	/nfs/dbraw/zinc/15/83/38/1169158338.db2.gz	FOWDRCIPUVZWMP-ZDUSSCGKSA-N	-1	0	320.345	0.988	20	30		DCEDRM
C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001602683644	1169158617	/nfs/dbraw/zinc/15/86/17/1169158617.db2.gz	RVXAXENBFIXBBY-JTQLQIEISA-N	-1	0	301.320	0.685	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)C1	ZINC001602699956	1169163956	/nfs/dbraw/zinc/16/39/56/1169163956.db2.gz	NHDWCTVFOCVZLS-XQQFMLRXSA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#CC[C@@H]1CCN(c2ccc(C(=O)OC)nc2-c2nn[nH]n2)C1	ZINC001602703172	1169165624	/nfs/dbraw/zinc/16/56/24/1169165624.db2.gz	LSPCWGYTZUSSTM-SNVBAGLBSA-N	-1	0	312.333	0.898	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001602701401	1169166262	/nfs/dbraw/zinc/16/62/62/1169166262.db2.gz	IGEWINPFFPWUJX-GFCCVEGCSA-N	-1	0	304.302	0.214	20	30		DCEDRM
C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(C(=O)[O-])cn1	ZINC001602701314	1169166384	/nfs/dbraw/zinc/16/63/84/1169166384.db2.gz	FLTKRCMZDNMTKQ-STQMWFEESA-N	-1	0	314.345	0.768	20	30		DCEDRM
C#CCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CCN(C(=O)CC)CC1	ZINC001602711364	1169166486	/nfs/dbraw/zinc/16/64/86/1169166486.db2.gz	FLSISCVPLPXAGL-STQMWFEESA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@@H](OC)C1	ZINC001602711777	1169168190	/nfs/dbraw/zinc/16/81/90/1169168190.db2.gz	TZHXNPTXGJVHDX-TUAOUCFPSA-N	-1	0	303.380	0.588	20	30		DCEDRM
C#CCN(C)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1	ZINC001602713691	1169168285	/nfs/dbraw/zinc/16/82/85/1169168285.db2.gz	PHHGIBJAVXKWKV-UHFFFAOYSA-N	-1	0	310.331	0.885	20	30		DCEDRM
C#CCNC(=O)CN[C@@H](Cc1cc2ccccc2o1)C(=O)[O-]	ZINC001602724560	1169172614	/nfs/dbraw/zinc/17/26/14/1169172614.db2.gz	BOWPOXRTGABQOR-ZDUSSCGKSA-N	-1	0	300.314	0.768	20	30		DCEDRM
C#CCO[C@H](C)C(=O)O[C@@H]1C[C@H](C(=O)[O-])C[C@@H](C(=O)OC)C1	ZINC001602725723	1169172897	/nfs/dbraw/zinc/17/28/97/1169172897.db2.gz	GNAYFDQPGCTTQG-DDHJBXDOSA-N	-1	0	312.318	0.610	20	30		DCEDRM
C#CCNC(=O)c1ccccc1NC(=O)c1cc(C(=O)[O-])no1	ZINC001602725128	1169173164	/nfs/dbraw/zinc/17/31/64/1169173164.db2.gz	OOCGBWVRMNUPOX-UHFFFAOYSA-N	-1	0	313.269	0.988	20	30		DCEDRM
C#CCOCCC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001602728380	1169174678	/nfs/dbraw/zinc/17/46/78/1169174678.db2.gz	SVOLLSOJLAMLJN-MRXNPFEDSA-N	-1	0	309.362	0.635	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001602728375	1169174905	/nfs/dbraw/zinc/17/49/05/1169174905.db2.gz	SPWVOMJUDZPQLC-RYUDHWBXSA-N	-1	0	303.380	0.541	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)OC)nc1	ZINC001602739862	1169176691	/nfs/dbraw/zinc/17/66/91/1169176691.db2.gz	PLKJWETVAUPEJM-AAEUAGOBSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CCC[C@]1(C)NC(=O)NC1=O)C(=O)[O-]	ZINC001602749201	1169177363	/nfs/dbraw/zinc/17/73/63/1169177363.db2.gz	DAQGPSOCMZAFIB-OTYXRUKQSA-N	-1	0	311.338	0.290	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)[O-]	ZINC001602749834	1169177536	/nfs/dbraw/zinc/17/75/36/1169177536.db2.gz	ZQLZCXXTFFOHHL-CYBMUJFWSA-N	-1	0	315.329	0.932	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)C(=O)[O-]	ZINC001602748882	1169177611	/nfs/dbraw/zinc/17/76/11/1169177611.db2.gz	KLWAXPUCRRVPEN-LBPRGKRZSA-N	-1	0	315.329	0.932	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001602747636	1169177879	/nfs/dbraw/zinc/17/78/79/1169177879.db2.gz	XQSHJGDZDVWMLV-STQMWFEESA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)C(=O)OCC	ZINC001602755597	1169178859	/nfs/dbraw/zinc/17/88/59/1169178859.db2.gz	YOIRNZSXTAIOQD-SNVBAGLBSA-N	-1	0	319.379	0.669	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1cn(CCOC)c(C)cc1=O)C(=O)[O-]	ZINC001602754314	1169180024	/nfs/dbraw/zinc/18/00/24/1169180024.db2.gz	DLNIXTIUTKYXAF-ZDUSSCGKSA-N	-1	0	322.361	0.952	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cnn2c1OCCC2)C(=O)[O-]	ZINC001602758002	1169180037	/nfs/dbraw/zinc/18/00/37/1169180037.db2.gz	ZPXLOOUTOJUHSA-SECBINFHSA-N	-1	0	315.351	0.363	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O	ZINC001602782524	1169183501	/nfs/dbraw/zinc/18/35/01/1169183501.db2.gz	NLRSJTPPRSDAIZ-QWRGUYRKSA-N	-1	0	318.395	0.242	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC001602815719	1169185681	/nfs/dbraw/zinc/18/56/81/1169185681.db2.gz	DBHQOEZNMKPOBM-SNVBAGLBSA-N	-1	0	324.308	0.709	20	30		DCEDRM
C=CC1CCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CC1	ZINC001602807991	1169186504	/nfs/dbraw/zinc/18/65/04/1169186504.db2.gz	UUDOFYPFDQCMQF-VIFPVBQESA-N	-1	0	302.342	0.444	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001602816527	1169188342	/nfs/dbraw/zinc/18/83/42/1169188342.db2.gz	NMIQYWLEXVPXFW-VIFPVBQESA-N	-1	0	322.317	0.649	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)OCC	ZINC001602841556	1169190668	/nfs/dbraw/zinc/19/06/68/1169190668.db2.gz	AVLSWFOOOLHVBV-VIFPVBQESA-N	-1	0	316.335	0.499	20	30		DCEDRM
C=CCCC(=O)NC/C=C\CNc1ccnc(-c2nnn[n-]2)n1	ZINC001602827353	1169190909	/nfs/dbraw/zinc/19/09/09/1169190909.db2.gz	WBSBXGFHUJQJKJ-PLNGDYQASA-N	-1	0	314.353	0.129	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001602837312	1169191292	/nfs/dbraw/zinc/19/12/92/1169191292.db2.gz	LQVQDHKVIRMWII-NSHDSACASA-N	-1	0	320.345	0.933	20	30		DCEDRM
C=CCCC(=O)N1CCC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001602855901	1169193575	/nfs/dbraw/zinc/19/35/75/1169193575.db2.gz	IHUTUEYBTVBNFT-NWDGAFQWSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=CCN1CC[C@@H](Oc2ccc(F)nc2-c2nnn[n-]2)C1=O	ZINC001602862294	1169193672	/nfs/dbraw/zinc/19/36/72/1169193672.db2.gz	HXTDCCUHNMJXMQ-SECBINFHSA-N	-1	0	304.285	0.567	20	30		DCEDRM
C=CCN1CC[C@@H](OC(=O)c2cc(-c3nn[nH]n3)oc2C)C1=O	ZINC001602863626	1169194956	/nfs/dbraw/zinc/19/49/56/1169194956.db2.gz	ZXKPTCIGFFWMGB-SNVBAGLBSA-N	-1	0	317.305	0.712	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1cc(C(=O)OC)nn1C)C(=O)[O-]	ZINC001602872530	1169196370	/nfs/dbraw/zinc/19/63/70/1169196370.db2.gz	UOCSSQXYXOULRT-VIFPVBQESA-N	-1	0	309.322	0.746	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@H](CO)NC(=O)C(C)C)C(=O)[O-]	ZINC001602865475	1169196841	/nfs/dbraw/zinc/19/68/41/1169196841.db2.gz	KXZHQGCUVAZLEV-MNOVXSKESA-N	-1	0	300.355	0.045	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001602881125	1169197532	/nfs/dbraw/zinc/19/75/32/1169197532.db2.gz	JKCDQAYMOKMNSW-UTUOFQBUSA-N	-1	0	313.350	0.832	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC001602880349	1169198254	/nfs/dbraw/zinc/19/82/54/1169198254.db2.gz	LGLOPGAUGPTCGJ-WDEREUQCSA-N	-1	0	319.379	0.621	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)c1cnc(N)nc1)C(=O)[O-]	ZINC001602873617	1169198617	/nfs/dbraw/zinc/19/86/17/1169198617.db2.gz	YLTQTZDMCFHZAI-SECBINFHSA-N	-1	0	300.340	0.147	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN[C@](C)(CC(=O)[O-])c1ccccn1	ZINC001602902218	1169201932	/nfs/dbraw/zinc/20/19/32/1169201932.db2.gz	UHTDZXOELJSLCM-OAHLLOKOSA-N	-1	0	320.349	0.373	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C(OC)OC)o1)C(=O)[O-]	ZINC001602913177	1169202602	/nfs/dbraw/zinc/20/26/02/1169202602.db2.gz	KWMZOJIAAQSHPF-SECBINFHSA-N	-1	0	313.306	0.957	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001602909610	1169203029	/nfs/dbraw/zinc/20/30/29/1169203029.db2.gz	AFNUKPFUSWENCN-STQMWFEESA-N	-1	0	304.302	0.364	20	30		DCEDRM
C=CCOC[C@H](NC(=O)/C=C\c1cnc(OC)nc1)C(=O)[O-]	ZINC001602910359	1169203119	/nfs/dbraw/zinc/20/31/19/1169203119.db2.gz	XAHGBXSYHDAQHR-WYGGZMRJSA-N	-1	0	307.306	0.270	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c(OC)nsc1OC)C(=O)[O-]	ZINC001602908964	1169203637	/nfs/dbraw/zinc/20/36/37/1169203637.db2.gz	JHRNYISEGAMPJI-ZETCQYMHSA-N	-1	0	316.335	0.546	20	30		DCEDRM
C=CCOCCCn1nnnc1N1CCC(CC(=O)[O-])CC1	ZINC001602915266	1169203932	/nfs/dbraw/zinc/20/39/32/1169203932.db2.gz	IICKAEQZPLNSDG-UHFFFAOYSA-N	-1	0	309.370	0.957	20	30		DCEDRM
C=CCOCCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001602915679	1169204472	/nfs/dbraw/zinc/20/44/72/1169204472.db2.gz	RLLOAOOQCWHGNE-NWDGAFQWSA-N	-1	0	313.350	0.834	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-]	ZINC001602915321	1169204971	/nfs/dbraw/zinc/20/49/71/1169204971.db2.gz	KFCBKVIBYSQZCW-VIFPVBQESA-N	-1	0	320.754	0.669	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)[O-]	ZINC001602915512	1169205049	/nfs/dbraw/zinc/20/50/49/1169205049.db2.gz	OAERLIFTOUCXJF-NSHDSACASA-N	-1	0	300.336	0.203	20	30		DCEDRM
C=CCOCc1nnc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1CC=C	ZINC001602920483	1169207143	/nfs/dbraw/zinc/20/71/43/1169207143.db2.gz	FPCCUJFPUMSUTF-NEPJUHHUSA-N	-1	0	322.365	0.845	20	30		DCEDRM
C=CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602930404	1169210889	/nfs/dbraw/zinc/21/08/89/1169210889.db2.gz	SKTDHDZJPRLJAS-GFCCVEGCSA-N	-1	0	315.333	0.816	20	30		DCEDRM
C=CCn1c(C[C@@H](O)C2CC2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602935207	1169212929	/nfs/dbraw/zinc/21/29/29/1169212929.db2.gz	BLMMKWCSJUWKJU-NEPJUHHUSA-N	-1	0	322.365	0.067	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001602941760	1169213784	/nfs/dbraw/zinc/21/37/84/1169213784.db2.gz	DRAGJHJECARTBF-RVMXOQNASA-N	-1	0	321.381	0.811	20	30		DCEDRM
C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)[C@@H](C)C#N	ZINC001602983695	1169224018	/nfs/dbraw/zinc/22/40/18/1169224018.db2.gz	MFOSLNDEXBUEKB-DTWKUNHWSA-N	-1	0	300.326	0.338	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001603129226	1169249860	/nfs/dbraw/zinc/24/98/60/1169249860.db2.gz	CCSMVYACWHIUAX-VIFPVBQESA-N	-1	0	305.290	0.364	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001603130295	1169249910	/nfs/dbraw/zinc/24/99/10/1169249910.db2.gz	UTRYRAVQVPIYRU-OUAUKWLOSA-N	-1	0	317.349	0.453	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001603129461	1169250346	/nfs/dbraw/zinc/25/03/46/1169250346.db2.gz	HOSYJEZODJMCTH-VHSXEESVSA-N	-1	0	303.322	0.277	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl	ZINC001603129268	1169250769	/nfs/dbraw/zinc/25/07/69/1169250769.db2.gz	CQXZIPAZUHXIQD-ZETCQYMHSA-N	-1	0	324.724	0.990	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)[C@@H]1C	ZINC001603130210	1169251027	/nfs/dbraw/zinc/25/10/27/1169251027.db2.gz	TXLYDKVWXXEVQE-AEJSXWLSSA-N	-1	0	303.322	0.418	20	30		DCEDRM
C[C@H](C(=O)[O-])N(C1CCC1)S(=O)(=O)c1cncc(C#N)c1	ZINC001603197169	1169272698	/nfs/dbraw/zinc/27/26/98/1169272698.db2.gz	GUNIGHHVJSERDL-SECBINFHSA-N	-1	0	309.347	0.970	20	30		DCEDRM
C[C@H](CC#N)C(=O)Nc1nc2n(c1-c1nn[nH]n1)CCS2	ZINC001603441591	1169306619	/nfs/dbraw/zinc/30/66/19/1169306619.db2.gz	AIKUHRIFQRIOOP-ZCFIWIBFSA-N	-1	0	304.339	0.657	20	30		DCEDRM
CC(C)c1nsc(Cn2cnc(-c3nnn[n-]3)c2C#N)n1	ZINC001603423537	1169307556	/nfs/dbraw/zinc/30/75/56/1169307556.db2.gz	HXUDKLTXBBXWRM-UHFFFAOYSA-N	-1	0	301.339	0.958	20	30		DCEDRM
C[C@H]1CCSCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001603911283	1169430962	/nfs/dbraw/zinc/43/09/62/1169430962.db2.gz	UUSDJMGEZNIXCU-QMMMGPOBSA-N	-1	0	302.367	0.860	20	30		DCEDRM
CC1(C)CN(c2ccc(C(=O)[O-])nc2C#N)CCS1(=O)=O	ZINC001604545768	1169613958	/nfs/dbraw/zinc/61/39/58/1169613958.db2.gz	SVGATMMDHZNKFL-UHFFFAOYSA-N	-1	0	309.347	0.665	20	30		DCEDRM
C[C@@H]1[C@H](Nc2ccnc(C(=O)[O-])n2)CCN1C(=O)C#CC1CC1	ZINC001604647331	1169642046	/nfs/dbraw/zinc/64/20/46/1169642046.db2.gz	XCBUJXKIESAWLT-ZYHUDNBSSA-N	-1	0	314.345	0.411	20	30		DCEDRM
C[C@H]1CCCN1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001604739461	1169666275	/nfs/dbraw/zinc/66/62/75/1169666275.db2.gz	AODNDFZAVOICCI-JTQLQIEISA-N	-1	0	301.368	0.406	20	30		DCEDRM
CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001604860286	1169717660	/nfs/dbraw/zinc/71/76/60/1169717660.db2.gz	PUEPVVIWZPPLBH-GFCCVEGCSA-N	-1	0	321.377	0.994	20	30		DCEDRM
CC[C@@H](C)[C@H](C(=O)[O-])N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC001604923880	1169746382	/nfs/dbraw/zinc/74/63/82/1169746382.db2.gz	PRMJPRUNGYZSBV-PRULPYPASA-N	-1	0	300.380	0.356	20	30		DCEDRM
CC[C@H](C)[C@@H](NC(=O)COC(=O)c1cccc(C#N)n1)C(=O)[O-]	ZINC001604935187	1169754882	/nfs/dbraw/zinc/75/48/82/1169754882.db2.gz	HJEGHXNQUBGTDR-TVQRCGJNSA-N	-1	0	319.317	0.726	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001605438060	1169920005	/nfs/dbraw/zinc/92/00/05/1169920005.db2.gz	WRRBFFDHNUIGHF-UHFFFAOYSA-N	-1	0	314.367	0.157	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(C#N)nn1	ZINC001605448503	1169924758	/nfs/dbraw/zinc/92/47/58/1169924758.db2.gz	DEJUWYMMPYFWRK-WDEREUQCSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1	ZINC001606043968	1170063540	/nfs/dbraw/zinc/06/35/40/1170063540.db2.gz	VBUFVGQACJXFJS-OAHLLOKOSA-N	-1	0	303.318	0.598	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC001606344048	1170163612	/nfs/dbraw/zinc/16/36/12/1170163612.db2.gz	WLXFRIRIEYWSBI-RISCZKNCSA-N	-1	0	316.296	0.364	20	30		DCEDRM
COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001606341553	1170163753	/nfs/dbraw/zinc/16/37/53/1170163753.db2.gz	JYTMFLPZKYARLA-RDBSUJKOSA-N	-1	0	318.329	0.540	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CCC[C@@H](F)C2)[n-]c1-c1nn[nH]n1	ZINC001606354869	1170167944	/nfs/dbraw/zinc/16/79/44/1170167944.db2.gz	WASKDHIIERTLOL-NKWVEPMBSA-N	-1	0	304.289	0.928	20	30		DCEDRM
N#Cc1ncc(NC[C@H](O)c2cccnc2)nc1-c1nnn[n-]1	ZINC001606398015	1170183249	/nfs/dbraw/zinc/18/32/49/1170183249.db2.gz	HPNCTEMKBVIAIL-JTQLQIEISA-N	-1	0	309.293	0.069	20	30		DCEDRM
N#Cc1ncc(N2CC[C@@H](c3ccncc3)C2)nc1-c1nnn[n-]1	ZINC001606397467	1170184040	/nfs/dbraw/zinc/18/40/40/1170184040.db2.gz	QJHSMEIDSGRRFH-LLVKDONJSA-N	-1	0	319.332	0.917	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2cc(C#N)[nH]c2C)C[C@@H]1C(=O)[O-]	ZINC001606418971	1170193358	/nfs/dbraw/zinc/19/33/58/1170193358.db2.gz	CLKWNMAPZPUXON-WDEREUQCSA-N	-1	0	305.290	0.141	20	30		DCEDRM
COC[C@H](C)NC(=S)NN=Cc1cccn1[C@@H](C)C(=O)[O-]	ZINC001606798885	1170294441	/nfs/dbraw/zinc/29/44/41/1170294441.db2.gz	WMPPSSVJNQKNOX-UWVGGRQHSA-N	-1	0	312.395	0.967	20	30		DCEDRM
COCc1ccccc1CNC(=O)CN(CC#N)CCC(=O)[O-]	ZINC001606966324	1170343009	/nfs/dbraw/zinc/34/30/09/1170343009.db2.gz	UVYVZMVLYRTRDU-UHFFFAOYSA-N	-1	0	319.361	0.749	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	ZINC001607065105	1170376541	/nfs/dbraw/zinc/37/65/41/1170376541.db2.gz	MUOMUVRFZGZILF-ZJUUUORDSA-N	-1	0	310.331	0.708	20	30		DCEDRM
COc1cc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)ccc1C#N	ZINC001607085935	1170384150	/nfs/dbraw/zinc/38/41/50/1170384150.db2.gz	GHWDMRXHQFLQTO-UHFFFAOYSA-N	-1	0	301.262	0.564	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N(C)C[C@H](C)C#N	ZINC001607121181	1170404238	/nfs/dbraw/zinc/40/42/38/1170404238.db2.gz	LBEZVSFRIGTEPL-SECBINFHSA-N	-1	0	319.317	0.950	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)NCC2CCN(CC#N)CC2)O[C@H]1C(=O)[O-]	ZINC001607443201	1170454563	/nfs/dbraw/zinc/45/45/63/1170454563.db2.gz	XDGIXQYROQJMKB-RAIGVLPGSA-N	-1	0	309.366	0.216	20	30		DCEDRM
Cc1cc(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)ncc1C#N	ZINC001607569444	1170477605	/nfs/dbraw/zinc/47/76/05/1170477605.db2.gz	HYHKLDJVIJNJJW-UHFFFAOYSA-N	-1	0	311.301	0.923	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001607565849	1170477772	/nfs/dbraw/zinc/47/77/72/1170477772.db2.gz	SNPZHAUUDQYFBO-UHFFFAOYSA-N	-1	0	303.318	0.578	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001607564955	1170477811	/nfs/dbraw/zinc/47/78/11/1170477811.db2.gz	ZWIAPASZYHVXPO-UHFFFAOYSA-N	-1	0	313.317	0.895	20	30		DCEDRM
Cc1ccn(CN(CC(=O)[O-])CC(F)(F)F)c(=O)c1C#N	ZINC001607892021	1170518065	/nfs/dbraw/zinc/51/80/65/1170518065.db2.gz	LDSQKTORLMBSBQ-UHFFFAOYSA-N	-1	0	303.240	0.935	20	30		DCEDRM
Cc1[nH]nc(S(=O)(=O)N2CCSC[C@H]2C#N)c1C(=O)[O-]	ZINC001607940704	1170530250	/nfs/dbraw/zinc/53/02/50/1170530250.db2.gz	TXKHFFPMGBKAHH-SSDOTTSWSA-N	-1	0	316.364	0.046	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001608031927	1170554079	/nfs/dbraw/zinc/55/40/79/1170554079.db2.gz	WZTRAJQVZDYSCV-LLVKDONJSA-N	-1	0	308.290	0.796	20	30		DCEDRM
Cc1onc2c1c(C(=O)[O-])nn(CN(C)C[C@@H](C)C#N)c2=O	ZINC001608058710	1170562569	/nfs/dbraw/zinc/56/25/69/1170562569.db2.gz	OJFSVKRXWYOLLE-ZETCQYMHSA-N	-1	0	305.294	0.440	20	30		DCEDRM
Cn1c(CC#N)nnc1S[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001608087184	1170567282	/nfs/dbraw/zinc/56/72/82/1170567282.db2.gz	KCEMUOCUVNSNPG-SECBINFHSA-N	-1	0	323.378	0.439	20	30		DCEDRM
Cn1cc(C(=O)C(=O)OCc2cccc(C(=O)[O-])c2C#N)cn1	ZINC001608096690	1170569382	/nfs/dbraw/zinc/56/93/82/1170569382.db2.gz	JDOSPBBUYPOUPK-UHFFFAOYSA-N	-1	0	313.269	0.916	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC001608093470	1170569921	/nfs/dbraw/zinc/56/99/21/1170569921.db2.gz	GYCNWZQSZJUDKC-ZYHUDNBSSA-N	-1	0	305.334	0.896	20	30		DCEDRM
Cn1cc(C(=O)N(CC#N)CCC(=O)[O-])c(-c2cccnc2)n1	ZINC001608096965	1170570849	/nfs/dbraw/zinc/57/08/49/1170570849.db2.gz	MSMZIOOWAUEMRA-UHFFFAOYSA-N	-1	0	313.317	0.923	20	30		DCEDRM
N#C[C@@]1(C(=O)NCCc2ncc(C(=O)[O-])s2)CCCOC1	ZINC001608171597	1170608484	/nfs/dbraw/zinc/60/84/84/1170608484.db2.gz	BZFISHMZSMKJLT-ZDUSSCGKSA-N	-1	0	309.347	0.820	20	30		DCEDRM
N#CC1(CC(=O)N[C@H](Cn2ccnc2)C(=O)[O-])CCOCC1	ZINC001608176087	1170609624	/nfs/dbraw/zinc/60/96/24/1170609624.db2.gz	OLWQQCNAKAOFCJ-LLVKDONJSA-N	-1	0	306.322	0.163	20	30		DCEDRM
N#CCC1CCN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])CC1	ZINC001608180996	1170610769	/nfs/dbraw/zinc/61/07/69/1170610769.db2.gz	CKHNMZGBCLAMRG-GFCCVEGCSA-N	-1	0	307.350	0.604	20	30		DCEDRM
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NCCC(=O)[O-])C1	ZINC001608177249	1170610868	/nfs/dbraw/zinc/61/08/68/1170610868.db2.gz	ONKFMQJDFHNBMN-INIZCTEOSA-N	-1	0	316.361	0.530	20	30		DCEDRM
N#C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	ZINC001608179401	1170610900	/nfs/dbraw/zinc/61/09/00/1170610900.db2.gz	VPZLWINTCNAJMO-DDIVZENXSA-N	-1	0	305.334	0.118	20	30		DCEDRM
N#CCC1CCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)CC1	ZINC001608182125	1170611251	/nfs/dbraw/zinc/61/12/51/1170611251.db2.gz	UVMVDSMFYLSLER-ZDUSSCGKSA-N	-1	0	321.377	0.756	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1nnc(-c2ccccc2)o1	ZINC001608184280	1170611644	/nfs/dbraw/zinc/61/16/44/1170611644.db2.gz	UAJKLXVNVRPXIG-UHFFFAOYSA-N	-1	0	300.274	0.716	20	30		DCEDRM
N#CCCN(Cc1ccccn1)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001608184442	1170611889	/nfs/dbraw/zinc/61/18/89/1170611889.db2.gz	OYMXHIUGYYJGJP-BJHJDKERSA-N	-1	0	323.374	0.990	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CCN(C(=O)c2ccccc2)C1	ZINC001608184201	1170611908	/nfs/dbraw/zinc/61/19/08/1170611908.db2.gz	SJORSNCEKJAJME-ZDUSSCGKSA-N	-1	0	315.329	0.585	20	30		DCEDRM
N#CCc1cccc(OS(=O)(=O)c2n[nH]cc2C(=O)[O-])c1	ZINC001608189789	1170612375	/nfs/dbraw/zinc/61/23/75/1170612375.db2.gz	MPJURNSLSAZJRQ-UHFFFAOYSA-N	-1	0	307.287	0.942	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)NCC(F)(F)C(=O)[O-])c1	ZINC001608189430	1170613141	/nfs/dbraw/zinc/61/31/41/1170613141.db2.gz	RPFBWMUZNLEJDW-UHFFFAOYSA-N	-1	0	304.274	0.751	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)ccn1	ZINC001608194294	1170613900	/nfs/dbraw/zinc/61/39/00/1170613900.db2.gz	TXXQRVWKURLGBJ-UHFFFAOYSA-N	-1	0	314.301	0.789	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)nn1	ZINC001608206615	1170615157	/nfs/dbraw/zinc/61/51/57/1170615157.db2.gz	XBXNOALSVWHNRP-OAHLLOKOSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NCc2ocnc2C(=O)[O-])cc1	ZINC001608208823	1170616083	/nfs/dbraw/zinc/61/60/83/1170616083.db2.gz	PWVIISYFKILXBO-UHFFFAOYSA-N	-1	0	300.274	0.973	20	30		DCEDRM
N#Cc1cccc(CN2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c1	ZINC001608217652	1170617088	/nfs/dbraw/zinc/61/70/88/1170617088.db2.gz	NAQVITJALMPPAE-LSDHHAIUSA-N	-1	0	313.357	0.923	20	30		DCEDRM
N#Cc1ccc2[nH]c(NC(=O)Cn3cc(C(=O)[O-])cn3)nc2c1	ZINC001608213673	1170617200	/nfs/dbraw/zinc/61/72/00/1170617200.db2.gz	VRDQQBSKYPXHEM-UHFFFAOYSA-N	-1	0	310.273	0.968	20	30		DCEDRM
N#Cc1ccccc1OC[C@@H](O)CN1CCOC[C@H]1CC(=O)[O-]	ZINC001608219085	1170618296	/nfs/dbraw/zinc/61/82/96/1170618296.db2.gz	JAYBYULKLQLCQC-KGLIPLIRSA-N	-1	0	320.345	0.473	20	30		DCEDRM
N#Cc1ccnc(C(=O)N[C@H](CC2CCOCC2)C(=O)[O-])c1	ZINC001608221817	1170618515	/nfs/dbraw/zinc/61/85/15/1170618515.db2.gz	SRHNMTGBSXZXTH-CYBMUJFWSA-N	-1	0	303.318	0.953	20	30		DCEDRM
N#Cc1ccccc1C(F)(F)C(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC001608221263	1170618652	/nfs/dbraw/zinc/61/86/52/1170618652.db2.gz	RFXJAUPSCNVQFE-ZDUSSCGKSA-N	-1	0	310.256	0.698	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NCC1(OCCO)CCOCC1	ZINC001608224231	1170619226	/nfs/dbraw/zinc/61/92/26/1170619226.db2.gz	NYOAJXXSBUYIHB-UHFFFAOYSA-N	-1	0	321.333	0.621	20	30		DCEDRM
O=C([O-])[C@@H]1CCC(=NNC(=S)NCCN2CCOCC2)C1	ZINC001608617102	1170722753	/nfs/dbraw/zinc/72/27/53/1170722753.db2.gz	WPLPCQPFZMRUBR-SNVBAGLBSA-N	-1	0	314.411	0.023	20	30		DCEDRM
O=C([O-])C[C@@H]1CN(C(=O)c2cccc(C#CCO)c2)CCO1	ZINC001608700884	1170740379	/nfs/dbraw/zinc/74/03/79/1170740379.db2.gz	ZSODVAXTHQYBRG-CQSZACIVSA-N	-1	0	303.314	0.346	20	30		DCEDRM
O=C([O-])c1cc(C=NN2C(=S)N=NC2[C@H]2CCCO2)on1	ZINC001608841345	1170764786	/nfs/dbraw/zinc/76/47/86/1170764786.db2.gz	MPKNBCVASMBWSE-MRVPVSSYSA-N	-1	0	309.307	0.987	20	30		DCEDRM
O=C([O-])c1ccc(F)c2c1CN(C(=O)NCC#CCO)CC2	ZINC001608896050	1170769919	/nfs/dbraw/zinc/76/99/19/1170769919.db2.gz	BLKITAJIEVUFSB-UHFFFAOYSA-N	-1	0	306.293	0.587	20	30		DCEDRM
C#C[C@@H](NC(=O)c1sccc1-c1nn[nH]n1)[C@@H]1CCCO1	ZINC001609019193	1170785537	/nfs/dbraw/zinc/78/55/37/1170785537.db2.gz	PASKPDAVDAARDA-ZJUUUORDSA-N	-1	0	303.347	0.839	20	30		DCEDRM
C=CCCCCNS(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001609053833	1170793447	/nfs/dbraw/zinc/79/34/47/1170793447.db2.gz	SJTPIMWPMYJTCT-UHFFFAOYSA-N	-1	0	308.367	0.896	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001609054738	1170795008	/nfs/dbraw/zinc/79/50/08/1170795008.db2.gz	QDKZUZYRPFIRBG-QMMMGPOBSA-N	-1	0	318.285	0.532	20	30		DCEDRM
C[C@@H](C(=O)Nc1ccc(CC#N)cc1)n1cnc(-c2nnn[n-]2)n1	ZINC001609070806	1170798660	/nfs/dbraw/zinc/79/86/60/1170798660.db2.gz	XNNIHXAZTBGCJZ-VIFPVBQESA-N	-1	0	323.320	0.724	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)Cn1cccc(-c2nnn[n-]2)c1=O	ZINC001609087145	1170805137	/nfs/dbraw/zinc/80/51/37/1170805137.db2.gz	ZTTIHRAIQORINW-AWEZNQCLSA-N	-1	0	315.337	0.083	20	30		DCEDRM
CC(C)N(CCC#N)S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001609098615	1170809087	/nfs/dbraw/zinc/80/90/87/1170809087.db2.gz	YDVBBQUHQZJROJ-UHFFFAOYSA-N	-1	0	321.366	0.574	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCO[C@H](CNC(=O)OC(C)(C)C)C1	ZINC001609264325	1170904022	/nfs/dbraw/zinc/90/40/22/1170904022.db2.gz	LKQPAYNAWMBKSM-MNOVXSKESA-N	-1	0	300.355	0.851	20	30		DCEDRM
C=CCC[C@H](CO)NS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001609324550	1170937878	/nfs/dbraw/zinc/93/78/78/1170937878.db2.gz	BLJUEZYBLTWUSE-GFCCVEGCSA-N	-1	0	313.375	0.919	20	30		DCEDRM
COCc1ccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)cc1	ZINC001609330935	1170941344	/nfs/dbraw/zinc/94/13/44/1170941344.db2.gz	ZCDPXRLRRBVZSR-UHFFFAOYSA-N	-1	0	310.321	0.712	20	30		DCEDRM
C=CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001609470509	1170989046	/nfs/dbraw/zinc/98/90/46/1170989046.db2.gz	XGYFESLAXOHTCY-LLVKDONJSA-N	-1	0	303.322	0.749	20	30		DCEDRM
C=CCn1cc(C(=O)N2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)nn1	ZINC001609484993	1170995822	/nfs/dbraw/zinc/99/58/22/1170995822.db2.gz	AIHFBVWWDHIATH-IXOXFDKPSA-N	-1	0	320.349	0.699	20	30		DCEDRM
CC(=O)N[C@@H](CS[C@H](C)C(=O)N(C)CCC#N)C(=O)[O-]	ZINC001609622578	1171052937	/nfs/dbraw/zinc/05/29/37/1171052937.db2.gz	DECGFAGQGOUREU-SCZZXKLOSA-N	-1	0	301.368	0.069	20	30		DCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1	ZINC001609631035	1171055435	/nfs/dbraw/zinc/05/54/35/1171055435.db2.gz	NCWQYYXHIYZCSV-QMMMGPOBSA-N	-1	0	300.311	0.891	20	30		DCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001609631040	1171056353	/nfs/dbraw/zinc/05/63/53/1171056353.db2.gz	NFRUXAFVTCLJGO-SSDOTTSWSA-N	-1	0	313.291	0.731	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N([C@H](C)C(=O)[O-])C1CCC1	ZINC001610000600	1171135293	/nfs/dbraw/zinc/13/52/93/1171135293.db2.gz	WZYFSVGUYVMXSE-SNVBAGLBSA-N	-1	0	303.384	0.794	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cncc(C#N)c1	ZINC001610033352	1171143315	/nfs/dbraw/zinc/14/33/15/1171143315.db2.gz	IAXVUAJBMFUFIO-NSHDSACASA-N	-1	0	313.335	0.063	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)COc1ccccc1C#N	ZINC001610193233	1171193505	/nfs/dbraw/zinc/19/35/05/1171193505.db2.gz	IJKNBBGVXDLHKA-LLVKDONJSA-N	-1	0	320.301	0.460	20	30		DCEDRM
COCc1cc(NC(=O)C(=O)N(C)CCC#N)cc(C(=O)[O-])c1	ZINC001610267430	1171213979	/nfs/dbraw/zinc/21/39/79/1171213979.db2.gz	NHRKGBGHFUDFEW-UHFFFAOYSA-N	-1	0	319.317	0.842	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)OCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC001610397834	1171230211	/nfs/dbraw/zinc/23/02/11/1171230211.db2.gz	RJBATGDQXZZSNY-LBPRGKRZSA-N	-1	0	321.333	0.967	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)OCC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC001610397830	1171230740	/nfs/dbraw/zinc/23/07/40/1171230740.db2.gz	RJBATGDQXZZSNY-GFCCVEGCSA-N	-1	0	321.333	0.967	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1C#N	ZINC001610525345	1171246915	/nfs/dbraw/zinc/24/69/15/1171246915.db2.gz	SWYXCEYJAWZSBJ-WCQYABFASA-N	-1	0	324.358	0.465	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1	ZINC001610620404	1171270275	/nfs/dbraw/zinc/27/02/75/1171270275.db2.gz	FTNGQRCWXYXODJ-OAHLLOKOSA-N	-1	0	317.301	0.200	20	30		DCEDRM
N#CCNC(=O)CNC(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC001610623334	1171271624	/nfs/dbraw/zinc/27/16/24/1171271624.db2.gz	XOMJFQSCWCARRJ-UHFFFAOYSA-N	-1	0	316.317	0.092	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)c1	ZINC001610624386	1171271777	/nfs/dbraw/zinc/27/17/77/1171271777.db2.gz	NQKFHCYPSIFLSI-UHFFFAOYSA-N	-1	0	324.358	0.353	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)o1	ZINC001610626835	1171273003	/nfs/dbraw/zinc/27/30/03/1171273003.db2.gz	XDWSXYGICITKQU-UHFFFAOYSA-N	-1	0	315.289	0.918	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])o2)nc1	ZINC001610629172	1171273086	/nfs/dbraw/zinc/27/30/86/1171273086.db2.gz	WXUJEFQLVXPUKE-UHFFFAOYSA-N	-1	0	314.257	0.499	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)Oc1cccnc1C(=O)[O-]	ZINC001610634254	1171273397	/nfs/dbraw/zinc/27/33/97/1171273397.db2.gz	SLHAMIURGATQQC-UHFFFAOYSA-N	-1	0	305.271	0.814	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cccc3cnncc32)c(=O)[n-]c1=O	ZINC001632944556	1171628214	/nfs/dbraw/zinc/62/82/14/1171628214.db2.gz	CIVXPEKIGFXENE-UHFFFAOYSA-N	-1	0	322.284	0.402	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCCC2CCC2)c(=O)[n-]c1=O	ZINC001633159818	1171635711	/nfs/dbraw/zinc/63/57/11/1171635711.db2.gz	DNDBPMOPWRRTLL-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
COc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)N(C)C	ZINC000048868689	1171674906	/nfs/dbraw/zinc/67/49/06/1171674906.db2.gz	ZXKYEIPPLZQVPK-UHFFFAOYSA-N	-1	0	303.296	0.714	20	30		DCEDRM
COc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)N(C)C)c1	ZINC000049055162	1171684229	/nfs/dbraw/zinc/68/42/29/1171684229.db2.gz	IDXNFJLMRDMCMZ-UHFFFAOYSA-N	-1	0	303.296	0.714	20	30		DCEDRM
COc1ccc(O)c([C@H](C)Nc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001639439878	1171838057	/nfs/dbraw/zinc/83/80/57/1171838057.db2.gz	CKMYBXJKQBIUJG-QMMMGPOBSA-N	-1	0	316.317	0.833	20	30		DCEDRM
COc1cc([N+](=O)[O-])ccc1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001641220101	1171909054	/nfs/dbraw/zinc/90/90/54/1171909054.db2.gz	KVNZJTJJBBVDRX-UHFFFAOYSA-N	-1	0	302.246	0.373	20	30		DCEDRM
COc1ccc(OCCNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001641998443	1171935050	/nfs/dbraw/zinc/93/50/50/1171935050.db2.gz	CEKNSKFCAHNYSP-UHFFFAOYSA-N	-1	0	316.317	0.445	20	30		DCEDRM
N#Cc1cccc(ONC(=O)c2cccc(-n3[n-]nnc3=N)c2)c1	ZINC001642628675	1171952988	/nfs/dbraw/zinc/95/29/88/1171952988.db2.gz	RVGWQOHWRWERDW-UHFFFAOYSA-N	-1	0	321.300	0.670	20	30		DCEDRM
CS(=O)(=O)CC1(C(=O)[N-]Oc2cccc(C#N)c2)COC1	ZINC001648732031	1173080775	/nfs/dbraw/zinc/08/07/75/1173080775.db2.gz	UZQOCRMUROWMMO-UHFFFAOYSA-N	-1	0	310.331	0.029	20	30		DCEDRM
Cc1nccn1CCCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001650781796	1173732987	/nfs/dbraw/zinc/73/29/87/1173732987.db2.gz	LYRNZESWPSCGQN-UHFFFAOYSA-N	-1	0	302.338	0.343	20	30		DCEDRM
N#Cc1ccc(Cn2cc(NC(=O)c3n[nH]c(=O)[n-]3)cn2)cc1	ZINC001654779560	1173811379	/nfs/dbraw/zinc/81/13/79/1173811379.db2.gz	GOZICPKTKRLTJC-UHFFFAOYSA-N	-1	0	309.289	0.879	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001678129688	1175625828	/nfs/dbraw/zinc/62/58/28/1175625828.db2.gz	VOJXKUAFGXXUHI-ONGXEEELSA-N	-1	0	324.381	0.592	20	30		DCEDRM
C=CCCCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21	ZINC001688108796	1176365693	/nfs/dbraw/zinc/36/56/93/1176365693.db2.gz	OJFTZLFRIYUURF-PJXYFTJBSA-N	-1	0	318.377	0.967	20	30		DCEDRM
CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[C@@H](C)CO2)n1	ZINC001692131155	1177422006	/nfs/dbraw/zinc/42/20/06/1177422006.db2.gz	ZYXIGUIZANFIKO-DGCLKSJQSA-N	-1	0	318.377	0.336	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C#CC3CC3)[C@H]2C)c1[O-]	ZINC001702694246	1179238634	/nfs/dbraw/zinc/23/86/34/1179238634.db2.gz	QCVWORAFYUABHK-PWSUYJOCSA-N	-1	0	316.361	0.556	20	30		DCEDRM
C=CCCOCC(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001705099189	1180259815	/nfs/dbraw/zinc/25/98/15/1180259815.db2.gz	ALCRNZFUUQJXGP-SECBINFHSA-N	-1	0	310.354	0.251	20	30		DCEDRM
C=CCCOCC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001714624862	1181446081	/nfs/dbraw/zinc/44/60/81/1181446081.db2.gz	RQCZGTBEYJVHHL-NSHDSACASA-N	-1	0	309.370	0.184	20	30		DCEDRM
C=CCC(CC=C)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001716741589	1182510057	/nfs/dbraw/zinc/51/00/57/1182510057.db2.gz	FFGPVWFGJOGLAE-UHFFFAOYSA-N	-1	0	305.382	0.921	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2CC(NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001718072272	1183129115	/nfs/dbraw/zinc/12/91/15/1183129115.db2.gz	FNIKHBGMXCWKND-UHFFFAOYSA-N	-1	0	316.361	0.462	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C)c1[O-]	ZINC001718661638	1183312708	/nfs/dbraw/zinc/31/27/08/1183312708.db2.gz	XNDBZTQFKLKTNW-VXGBXAGGSA-N	-1	0	318.377	0.802	20	30		DCEDRM
CC(C)C#CC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1	ZINC001724620198	1184475825	/nfs/dbraw/zinc/47/58/25/1184475825.db2.gz	PNLRBVJELVHPJK-TXEJJXNPSA-N	-1	0	303.366	0.060	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@@H](CC)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001738120172	1187479186	/nfs/dbraw/zinc/47/91/86/1187479186.db2.gz	OOAVGJGEFNNNOE-MEBBXXQBSA-N	-1	0	324.381	0.375	20	30		DCEDRM
C=CCOCC(=O)N[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])C(C)C	ZINC001738317392	1187510179	/nfs/dbraw/zinc/51/01/79/1187510179.db2.gz	RMYMCBHAGWGJRK-NSHDSACASA-N	-1	0	324.381	0.497	20	30		DCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC(O)(CC#N)C1	ZINC000193986962	1188113413	/nfs/dbraw/zinc/11/34/13/1188113413.db2.gz	GJIKUFIFGKNWFA-QMMMGPOBSA-N	-1	0	307.272	0.176	20	30		DCEDRM
C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001755716541	1189191944	/nfs/dbraw/zinc/19/19/44/1189191944.db2.gz	ATGVBNCPGZHGQD-PWSUYJOCSA-N	-1	0	303.366	0.393	20	30		DCEDRM
C=CCCCC(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O	ZINC001758974348	1190054225	/nfs/dbraw/zinc/05/42/25/1190054225.db2.gz	QBRGRJRONAIEOZ-UHFFFAOYSA-N	-1	0	322.365	0.030	20	30		DCEDRM
C=CCCC(=O)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C	ZINC001759525549	1190202179	/nfs/dbraw/zinc/20/21/79/1190202179.db2.gz	UUELKNVQSXDVSZ-VIFPVBQESA-N	-1	0	323.353	0.120	20	30		DCEDRM
Cc1ccn(C)c1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001772104858	1190609513	/nfs/dbraw/zinc/60/95/13/1190609513.db2.gz	ALAWVAFNJQACBZ-UHFFFAOYSA-N	-1	0	313.317	0.165	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001077578375	751715590	/nfs/dbraw/zinc/71/55/90/751715590.db2.gz	ZLKOSZMPKMVSEV-VIFPVBQESA-N	-1	0	323.353	0.264	20	30		DCEDRM
Cc1cc(C(=O)[O-])cc(-n2c(N)c(C#N)c(N)nc2=NC2CC2)c1	ZINC001211537467	747349745	/nfs/dbraw/zinc/34/97/45/747349745.db2.gz	LBQWNICHIQQHHA-UHFFFAOYSA-N	-1	0	324.344	0.978	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ncc(C)cn1	ZINC001223203049	748360861	/nfs/dbraw/zinc/36/08/61/748360861.db2.gz	DCCYGMOOJMQBLW-LLVKDONJSA-N	-1	0	302.352	0.761	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001089139518	750817163	/nfs/dbraw/zinc/81/71/63/750817163.db2.gz	DALAZEULPVMEEC-QWRGUYRKSA-N	-1	0	306.370	0.483	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)Nc2cncc(C#N)n2)c1[O-]	ZINC001112990575	762074442	/nfs/dbraw/zinc/07/44/42/762074442.db2.gz	HXOBDYSCRMZWPV-YUMQZZPRSA-N	-1	0	315.337	0.704	20	30		DCEDRM
C#CCCN1CCO[C@@](C)(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001107872529	752459346	/nfs/dbraw/zinc/45/93/46/752459346.db2.gz	QZTNSGBXDTYBIY-HNNXBMFYSA-N	-1	0	306.366	0.268	20	30		DCEDRM
C[C@H]1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CN1CC#N	ZINC001071875413	762195861	/nfs/dbraw/zinc/19/58/61/762195861.db2.gz	BRNLJNCLALEEBJ-QWRGUYRKSA-N	-1	0	314.349	0.129	20	30		DCEDRM
C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001047350504	754205259	/nfs/dbraw/zinc/20/52/59/754205259.db2.gz	FJRAEMLEIJYEIF-UWVGGRQHSA-N	-1	0	314.773	0.293	20	30		DCEDRM
C=C(Cl)CN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1	ZINC001090198904	754349058	/nfs/dbraw/zinc/34/90/58/754349058.db2.gz	CRXZYZTYCGQPKW-NXEZZACHSA-N	-1	0	314.773	0.341	20	30		DCEDRM
C#CCN1CC2(C1)CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])O2	ZINC001053590642	756108680	/nfs/dbraw/zinc/10/86/80/756108680.db2.gz	MWJUOBKCVPYGAX-LLVKDONJSA-N	-1	0	304.350	0.020	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)c1[O-]	ZINC001058327968	759893881	/nfs/dbraw/zinc/89/38/81/759893881.db2.gz	IOFYBIRFTCIWEX-VIFPVBQESA-N	-1	0	313.321	0.094	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1cc([N+](=O)[O-])c(C)c[n+]1[O-]	ZINC001169962092	760941305	/nfs/dbraw/zinc/94/13/05/760941305.db2.gz	ILSDPTJAMNQNNR-UHFFFAOYSA-N	-1	0	318.249	0.963	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001109213147	761307130	/nfs/dbraw/zinc/30/71/30/761307130.db2.gz	NCGPELJZITXLBB-DZHLUBAWSA-N	-1	0	321.381	0.059	20	30		DCEDRM
N#Cc1nccc(NC[C@@H](NC(=O)c2ncccc2O)C2CC2)n1	ZINC001109821295	761568427	/nfs/dbraw/zinc/56/84/27/761568427.db2.gz	BMFQFYRYANSWFG-LLVKDONJSA-N	-1	0	324.344	0.491	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](C)O[C@@]3(CCN(CC#N)C3)C2)c1[O-]	ZINC001071157193	761666636	/nfs/dbraw/zinc/66/66/36/761666636.db2.gz	UKEJPGYBLQLZQZ-MEBBXXQBSA-N	-1	0	319.365	0.253	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@@H](C)Nc2ccc(C#N)nn2)c1[O-]	ZINC001098984597	762772316	/nfs/dbraw/zinc/77/23/16/762772316.db2.gz	NJFNRLFGOIWLJG-MRVPVSSYSA-N	-1	0	315.337	0.706	20	30		DCEDRM
C=C[C@@H]1C[C@]1(N/C(C)=C/C=C/N)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170746784	765473994	/nfs/dbraw/zinc/47/39/94/765473994.db2.gz	FUWAUZADOBSYGO-JLGIHLKXSA-N	-1	0	311.407	0.505	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H](C)Nc2ccc(C#N)nn2)c1[O-]	ZINC001115671539	765787449	/nfs/dbraw/zinc/78/74/49/765787449.db2.gz	PUBCEIFXAVYHHV-MRVPVSSYSA-N	-1	0	315.337	0.658	20	30		DCEDRM
C[C@H](C[C@@H](C)NC(=O)c1c[n-]n2c1nccc2=O)NCC#N	ZINC001135648569	766018498	/nfs/dbraw/zinc/01/84/98/766018498.db2.gz	MMTKXRPNIGYBMZ-NXEZZACHSA-N	-1	0	302.338	0.033	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	ZINC001119066343	766524393	/nfs/dbraw/zinc/52/43/93/766524393.db2.gz	WEFOAGXZENRBEZ-LBPRGKRZSA-N	-1	0	320.411	0.048	20	30		DCEDRM
C/C=C/C=C/C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001144009029	766763309	/nfs/dbraw/zinc/76/33/09/766763309.db2.gz	YKWAGRLDTZANPG-VZNORKMYSA-N	-1	0	324.339	0.661	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@H](OC)CC[C@@H]1C	ZINC001121561488	767591706	/nfs/dbraw/zinc/59/17/06/767591706.db2.gz	DRHCUSMJKDHPMO-WDEREUQCSA-N	-1	0	318.381	0.692	20	30		DCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N(C[C@@H](C)O)C1CC1	ZINC001121644655	767613168	/nfs/dbraw/zinc/61/31/68/767613168.db2.gz	UUEWGIMEIOXKEJ-SNVBAGLBSA-N	-1	0	318.381	0.920	20	30		DCEDRM
C#CCN1CCN(Cc2cccc(OC)c2OCC(=O)[O-])CC1	ZINC001139271284	768465644	/nfs/dbraw/zinc/46/56/44/768465644.db2.gz	AQRITSCWOJDLBG-UHFFFAOYSA-N	-1	0	318.373	0.909	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)c1[O-]	ZINC001093528279	768603871	/nfs/dbraw/zinc/60/38/71/768603871.db2.gz	GNVWBXOKGGGILI-UHFFFAOYSA-N	-1	0	319.365	0.253	20	30		DCEDRM
C#C[C@@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C(=O)OCC	ZINC001231076014	769165785	/nfs/dbraw/zinc/16/57/85/769165785.db2.gz	KBJQZLXPMQWFPB-RXMQYKEDSA-N	-1	0	301.642	0.688	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c(N)ncnc1Cl	ZINC001233630092	769414342	/nfs/dbraw/zinc/41/43/42/769414342.db2.gz	CPTKFWFTJIADTD-SSDOTTSWSA-N	-1	0	323.758	0.550	20	30		DCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc(-c2cncc(C#N)c2)nc1	ZINC001242274633	770282961	/nfs/dbraw/zinc/28/29/61/770282961.db2.gz	WXKCSTVPSQRGNR-UHFFFAOYSA-N	-1	0	302.315	0.840	20	30		DCEDRM
C=C[C@H]1C[C@@]1(NC(=O)c1ccn(C)c1CC(=O)[O-])C(=O)OCC	ZINC001177369432	770419032	/nfs/dbraw/zinc/41/90/32/770419032.db2.gz	QBGQYIRRZQKURU-QFYYESIMSA-N	-1	0	320.345	0.890	20	30		DCEDRM
CO/N=C(\C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)c1ccco1	ZINC001177353210	770427007	/nfs/dbraw/zinc/42/70/07/770427007.db2.gz	IUYVYIYLUQEZGT-XCWPYAQASA-N	-1	0	312.278	0.153	20	30		DCEDRM
N#Cc1ccc([N+](=O)[O-])c(NCC[N-]C(=O)C(F)(F)F)n1	ZINC001156203310	770747251	/nfs/dbraw/zinc/74/72/51/770747251.db2.gz	NWMXKWRFCZNHNL-UHFFFAOYSA-N	-1	0	303.200	0.952	20	30		DCEDRM
CN(C1CN(C(=O)CCC(=O)C2=CC=C[CH]2)C1)[C@H]1CCOC1	ZINC001184245745	771763275	/nfs/dbraw/zinc/76/32/75/771763275.db2.gz	ZTVARYKSPRSKIG-AWEZNQCLSA-N	-1	0	303.382	0.968	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1ncccc1N)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001159647191	771939022	/nfs/dbraw/zinc/93/90/22/771939022.db2.gz	GORWGVDNTRFNMX-YMTOWFKASA-N	-1	0	322.390	0.629	20	30		DCEDRM
Cc1cccc2nc(CCNc3[n-]c(=O)n(C)c(=O)c3C#N)cn21	ZINC001186905200	772107945	/nfs/dbraw/zinc/10/79/45/772107945.db2.gz	CIFYMWFQDDCMHR-UHFFFAOYSA-N	-1	0	324.344	0.556	20	30		DCEDRM
CN(C)C(=O)Cn1cc([N-]c2ncc(C#N)cc2[N+](=O)[O-])cn1	ZINC001162408762	772369123	/nfs/dbraw/zinc/36/91/23/772369123.db2.gz	NEVFNGLJVRIFAF-UHFFFAOYSA-N	-1	0	315.293	0.890	20	30		DCEDRM
Cc1cncc(N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])n1	ZINC001163066182	772452784	/nfs/dbraw/zinc/45/27/84/772452784.db2.gz	QUXGPFSDXBOWDZ-JTQLQIEISA-N	-1	0	322.327	0.305	20	30		DCEDRM
C#Cc1cc(NC(=O)c2ccccc2S(=O)(=O)[O-])ccn1	ZINC001189668113	772509321	/nfs/dbraw/zinc/50/93/21/772509321.db2.gz	OQZWNMANUUYZAC-UHFFFAOYSA-N	-1	0	302.311	0.984	20	30		DCEDRM
COC(OC)c1c(C#N)ccnc1N[C@H]1SC(=O)[N-]C1=O	ZINC001163661906	772554790	/nfs/dbraw/zinc/55/47/90/772554790.db2.gz	HLUJSGYPGINSFR-JTQLQIEISA-N	-1	0	308.319	0.966	20	30		DCEDRM
N#Cc1cn(C2CN(c3ccsc3[N+](=O)[O-])C2)c(=O)[n-]c1=O	ZINC001163740138	772564698	/nfs/dbraw/zinc/56/46/98/772564698.db2.gz	RFGNCSHMNJJGEI-UHFFFAOYSA-N	-1	0	319.302	0.852	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001190450182	772631637	/nfs/dbraw/zinc/63/16/37/772631637.db2.gz	RUCFXDMPDGOCCD-SDDRHHMPSA-N	-1	0	321.381	0.134	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)Nc2c([O-])nc[nH]c2=O)c1	ZINC001190619666	772646200	/nfs/dbraw/zinc/64/62/00/772646200.db2.gz	YMPWDMFHXLKSMJ-UHFFFAOYSA-N	-1	0	310.266	0.699	20	30		DCEDRM
C=CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1	ZINC001190718364	772663477	/nfs/dbraw/zinc/66/34/77/772663477.db2.gz	FRHGUGJETFIDNK-SNVBAGLBSA-N	-1	0	314.367	0.475	20	30		DCEDRM
O=C([O-])COc1ccc(S(=O)(=O)NCCCS)cc1	ZINC001192750688	772958847	/nfs/dbraw/zinc/95/88/47/772958847.db2.gz	DKNIMUJPPXXMHG-UHFFFAOYSA-N	-1	0	305.377	0.748	20	30		DCEDRM
C#Cc1cnc([N-]S(=O)(=O)C(C)(C)C(=O)OCC)c(C#C)n1	ZINC001193024265	772997151	/nfs/dbraw/zinc/99/71/51/772997151.db2.gz	HPQFVFCYBFXOLZ-UHFFFAOYSA-N	-1	0	321.358	0.523	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)c(F)c1	ZINC001193150496	773018310	/nfs/dbraw/zinc/01/83/10/773018310.db2.gz	GPOZYCVBLUNWDJ-SSDOTTSWSA-N	-1	0	306.340	0.883	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2ccc([O-])c(C#N)c2)CCN1C	ZINC001193503701	773075615	/nfs/dbraw/zinc/07/56/15/773075615.db2.gz	FCEYUSBDGQGUTM-LBPRGKRZSA-N	-1	0	303.318	0.193	20	30		DCEDRM
Cc1cc(O)cc([O-])c1C(=O)Nc1nc(C#N)c(C#N)nc1N	ZINC001193923181	773131372	/nfs/dbraw/zinc/13/13/72/773131372.db2.gz	YTGBHCFIASICKX-UHFFFAOYSA-N	-1	0	310.273	0.774	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC2(N3CCCC3)COC2)c([O-])c1	ZINC001195764484	773470319	/nfs/dbraw/zinc/47/03/19/773470319.db2.gz	LINPVKZVKCDOEP-UHFFFAOYSA-N	-1	0	301.346	0.858	20	30		DCEDRM
N=C(c1ccccc1N)N(O)C(=O)c1cc(=O)cc(C(N)=O)o1	ZINC001196201445	773555363	/nfs/dbraw/zinc/55/53/63/773555363.db2.gz	XEMIGWRBEYPELE-UHFFFAOYSA-N	-1	0	316.273	0.178	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC	ZINC001213322960	773834463	/nfs/dbraw/zinc/83/44/63/773834463.db2.gz	XJTSYMCXFJGZKB-QJPTWQEYSA-N	-1	0	323.397	0.428	20	30		DCEDRM
C=C(C)C(=O)OCCNS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198798184	773985088	/nfs/dbraw/zinc/98/50/88/773985088.db2.gz	TUKVCLOTXFORIN-UHFFFAOYSA-N	-1	0	313.331	0.782	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2ccc(C#N)nc2)c1	ZINC001201843862	774565054	/nfs/dbraw/zinc/56/50/54/774565054.db2.gz	NUCULYMXQAGNNV-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C=CCNC(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1	ZINC001202571426	774962731	/nfs/dbraw/zinc/96/27/31/774962731.db2.gz	AQDKGLHSOAJDRS-UHFFFAOYSA-N	-1	0	311.363	0.612	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](OCC[P@@](=O)([O-])O)[C@H](C#N)C1	ZINC001224603579	775586932	/nfs/dbraw/zinc/58/69/32/775586932.db2.gz	AEPBJEXWUAQBBI-ZJUUUORDSA-N	-1	0	320.282	0.940	20	30		DCEDRM
CC[C@H](C#CC(=O)OC)Oc1ccc(O)cc1S(=O)(=O)[O-]	ZINC001226417806	775814723	/nfs/dbraw/zinc/81/47/23/775814723.db2.gz	YONRXXGQEIWLJV-SNVBAGLBSA-N	-1	0	314.315	0.973	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nccc2nc[nH]c21	ZINC001228736195	776119327	/nfs/dbraw/zinc/11/93/27/776119327.db2.gz	LVFYWNMEJSDDFM-VIFPVBQESA-N	-1	0	313.335	0.796	20	30		DCEDRM
O=C(C#CC1CC1)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001041274636	777169855	/nfs/dbraw/zinc/16/98/55/777169855.db2.gz	ZZRKLORJHGWESS-MRXNPFEDSA-N	-1	0	315.377	0.348	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cnn(CCOC)c1)C(=O)[O-]	ZINC001602756985	1169178682	/nfs/dbraw/zinc/17/86/82/1169178682.db2.gz	COZUKJPHAVQPPY-LLVKDONJSA-N	-1	0	317.367	0.227	20	30		DCEDRM
C=CCOCC(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001266743038	939226644	/nfs/dbraw/zinc/22/66/44/939226644.db2.gz	JCMNXIJKSQLIKG-NSHDSACASA-N	-1	0	309.370	0.041	20	30		DCEDRM
CC(C)C(=O)NCCN(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001412967191	942161867	/nfs/dbraw/zinc/16/18/67/942161867.db2.gz	UEDVCGSEVIXGOM-UHFFFAOYSA-N	-1	0	316.365	0.511	20	30		DCEDRM
Cn1cc(C#N)cc1-c1nnc(N2CC[C@](C)(C(=O)[O-])C2)n1C	ZINC001600927476	970883171	/nfs/dbraw/zinc/88/31/71/970883171.db2.gz	MIGFQSNDNUDQLA-HNNXBMFYSA-N	-1	0	314.349	0.993	20	30		DCEDRM
N#Cc1c[nH]nc1NC(=O)c1nc[n-]c(=O)c1Br	ZINC001413147449	942529378	/nfs/dbraw/zinc/52/93/78/942529378.db2.gz	FOZBWDKHGYYDIG-UHFFFAOYSA-N	-1	0	309.083	0.792	20	30		DCEDRM
C[C@@H]1CC[C@H](CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001413308606	942619998	/nfs/dbraw/zinc/61/99/98/942619998.db2.gz	KALSREHSSJFEBV-MNOVXSKESA-N	-1	0	304.350	0.763	20	30		DCEDRM
C#CCN1C(=O)COCC12CN(Cc1c([O-])cc(F)cc1F)C2	ZINC001272615798	942869814	/nfs/dbraw/zinc/86/98/14/942869814.db2.gz	BYTGJMZYJNIHLH-UHFFFAOYSA-N	-1	0	322.311	0.717	20	30		DCEDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1CC#Cc1ccc(F)cc1	ZINC001611401987	971030531	/nfs/dbraw/zinc/03/05/31/971030531.db2.gz	VOWIEAVIYYNDMI-CYBMUJFWSA-N	-1	0	311.334	0.361	20	30		DCEDRM
C#CCCCC(=O)N[C@@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001486152496	944607826	/nfs/dbraw/zinc/60/78/26/944607826.db2.gz	SYSOLLDGNOGMGY-MLGOLLRUSA-N	-1	0	317.393	0.927	20	30		DCEDRM
N#CCN[C@H](CNC(=O)c1n[n-]c2ccccc2c1=O)C1CC1	ZINC001317023196	944744800	/nfs/dbraw/zinc/74/48/00/944744800.db2.gz	BQYPVKFQBZFGKH-CYBMUJFWSA-N	-1	0	311.345	0.957	20	30		DCEDRM
C#CCOC[C@H](O)CNc1c(C)cc(C)cc1S(=O)(=O)[O-]	ZINC001251868219	945804226	/nfs/dbraw/zinc/80/42/26/945804226.db2.gz	ZHUJXNAGWANGGC-GFCCVEGCSA-N	-1	0	313.375	0.973	20	30		DCEDRM
O=C([O-])C1(n2cc(COS(=O)(=O)c3ccccc3)nn2)CC1	ZINC001254094897	946314436	/nfs/dbraw/zinc/31/44/36/946314436.db2.gz	ALILYLRZGPDVIY-UHFFFAOYSA-N	-1	0	323.330	0.757	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001602675438	971248817	/nfs/dbraw/zinc/24/88/17/971248817.db2.gz	VVFHMLBWEQBWQC-LLVKDONJSA-N	-1	0	318.329	0.868	20	30		DCEDRM
C#CCN(C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)C(C)C	ZINC001602675634	971251602	/nfs/dbraw/zinc/25/16/02/971251602.db2.gz	FPJCOTAEYWMEKN-GFCCVEGCSA-N	-1	0	309.366	0.505	20	30		DCEDRM
C=CC[C@H](NC(=O)CNC(=O)COc1ccccc1)C(=O)[O-]	ZINC001256551035	946641170	/nfs/dbraw/zinc/64/11/70/946641170.db2.gz	MROCJPJQDCOVRQ-LBPRGKRZSA-N	-1	0	306.318	0.327	20	30		DCEDRM
O=C([O-])COc1ccccc1C=NNCCCN1CCOCC1	ZINC001322613913	946745356	/nfs/dbraw/zinc/74/53/56/946745356.db2.gz	CZDDIBLRODFXOS-UHFFFAOYSA-N	-1	0	321.377	0.796	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CC(=O)c2ccccc2O1	ZINC001602686189	971286606	/nfs/dbraw/zinc/28/66/06/971286606.db2.gz	UCAMVIUEROBSFD-LLVKDONJSA-N	-1	0	316.313	0.750	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cnc2c(c1)c(C)nn2C	ZINC001602688333	971289677	/nfs/dbraw/zinc/28/96/77/971289677.db2.gz	KDIMKGPIDFPYMN-UHFFFAOYSA-N	-1	0	301.306	0.828	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H](CNCC#N)C1CC1	ZINC001323111700	946936876	/nfs/dbraw/zinc/93/68/76/946936876.db2.gz	DIMIWNZPVRNLFV-SECBINFHSA-N	-1	0	320.315	0.451	20	30		DCEDRM
C#CCN(CC(=O)[O-])Cc1c(C(=O)OC(C)(C)C)cnn1C	ZINC001602695555	971308795	/nfs/dbraw/zinc/30/87/95/971308795.db2.gz	JPLVHWQCPCCDBQ-UHFFFAOYSA-N	-1	0	307.350	0.895	20	30		DCEDRM
C[C@H]1CN(O)C(=O)[C@H]1NS(=O)(=O)c1cnc2ccccc2c1	ZINC001260013553	947049263	/nfs/dbraw/zinc/04/92/63/947049263.db2.gz	AJNBIIKZPKKVBJ-ZANVPECISA-N	-1	0	321.358	0.749	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CCn2ccnc2C)n1C	ZINC001602700692	971319914	/nfs/dbraw/zinc/31/99/14/971319914.db2.gz	FDZVOUSDIZRQAZ-UHFFFAOYSA-N	-1	0	302.338	0.087	20	30		DCEDRM
CC(C)(C#N)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260178017	947079694	/nfs/dbraw/zinc/07/96/94/947079694.db2.gz	SYBRLGOIDXTIDY-UHFFFAOYSA-N	-1	0	300.731	0.358	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)Nc2ccnc(C(=O)[O-])c2)C1	ZINC001602702912	971332877	/nfs/dbraw/zinc/33/28/77/971332877.db2.gz	XOTZLUXGYSLQGN-GFCCVEGCSA-N	-1	0	302.334	0.999	20	30		DCEDRM
CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cnc(C#N)nc2)s1	ZINC001260700581	947138924	/nfs/dbraw/zinc/13/89/24/947138924.db2.gz	GVCWQROESZKFJX-UHFFFAOYSA-N	-1	0	324.347	0.564	20	30		DCEDRM
C=CCn1c([C@H](O)CC)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001602730877	971410335	/nfs/dbraw/zinc/41/03/35/971410335.db2.gz	HVAVMASUJWWZKU-UEKVPHQBSA-N	-1	0	322.365	0.445	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001327116862	948400540	/nfs/dbraw/zinc/40/05/40/948400540.db2.gz	YIBFMQATYXZRDK-NHYWBVRUSA-N	-1	0	323.397	0.308	20	30		DCEDRM
COC1(C(=O)[O-])CCN(S(=O)(=O)CCCCC#N)CC1	ZINC001327977171	948680683	/nfs/dbraw/zinc/68/06/83/948680683.db2.gz	GHSRFYATVOWAKE-UHFFFAOYSA-N	-1	0	304.368	0.576	20	30		DCEDRM
C#C[C@@H]1CCCCN1c1nnc(-c2cc(=O)[nH][n-]2)n1CC1CC1	ZINC001263738300	948739405	/nfs/dbraw/zinc/73/94/05/948739405.db2.gz	JTGUWQNBNNBPLB-GFCCVEGCSA-N	-1	0	312.377	0.904	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1	ZINC001602779217	971514946	/nfs/dbraw/zinc/51/49/46/971514946.db2.gz	TYKRJGQOLYBATI-QMTHXVAHSA-N	-1	0	308.338	0.053	20	30		DCEDRM
CC(C)C1(O)CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001574090380	948986910	/nfs/dbraw/zinc/98/69/10/948986910.db2.gz	JAFGFPTUGRNDRG-UHFFFAOYSA-N	-1	0	314.353	0.516	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC001602786306	971533521	/nfs/dbraw/zinc/53/35/21/971533521.db2.gz	KHKUSMMTIGXUDV-MNOVXSKESA-N	-1	0	303.384	0.652	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)[C@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC001602796302	971560267	/nfs/dbraw/zinc/56/02/67/971560267.db2.gz	XQIHGEBVUGEKJY-KCJUWKMLSA-N	-1	0	319.273	0.641	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CNC(=O)c2ccccc21	ZINC001329012506	949283209	/nfs/dbraw/zinc/28/32/09/949283209.db2.gz	PPTJTNZDBRENLU-GFCCVEGCSA-N	-1	0	321.358	0.263	20	30		DCEDRM
CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364480589	949394936	/nfs/dbraw/zinc/39/49/36/949394936.db2.gz	VRMBFAIUDKIURJ-QWHCGFSZSA-N	-1	0	317.349	0.542	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC(C#N)CC2)CC[C@@H]1C(=O)[O-]	ZINC001329163342	949401388	/nfs/dbraw/zinc/40/13/88/949401388.db2.gz	RNZYITBXJNSALH-PWSUYJOCSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C=CC[C@H](NC(=O)c1cc(S(C)(=O)=O)c(C)o1)C(=O)[O-]	ZINC001329216224	949444991	/nfs/dbraw/zinc/44/49/91/949444991.db2.gz	VDWHVCFEMWYMLF-QMMMGPOBSA-N	-1	0	301.320	0.751	20	30		DCEDRM
COC[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccc(C)o1	ZINC001364542447	949525425	/nfs/dbraw/zinc/52/54/25/949525425.db2.gz	JKCWIQRUBKYNCX-SNVBAGLBSA-N	-1	0	304.306	0.646	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)c1	ZINC001364567607	949562400	/nfs/dbraw/zinc/56/24/00/949562400.db2.gz	KUWFGLFAEINWPT-LLVKDONJSA-N	-1	0	311.349	0.767	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](CO)c2cc(F)ccc2F)c(C#N)c1=O	ZINC001364587924	949596066	/nfs/dbraw/zinc/59/60/66/949596066.db2.gz	DIJFCYHDCKNZSD-NSHDSACASA-N	-1	0	322.271	0.369	20	30		DCEDRM
CC(C)C[C@@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365125395	950564398	/nfs/dbraw/zinc/56/43/98/950564398.db2.gz	KUXLGRRGOSEDMX-SNVBAGLBSA-N	-1	0	307.354	0.554	20	30		DCEDRM
CC(C)[C@H]1C(=O)NCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001365270069	950854729	/nfs/dbraw/zinc/85/47/29/950854729.db2.gz	IKBYXWVWFXPCMN-ZDUSSCGKSA-N	-1	0	314.349	0.263	20	30		DCEDRM
CC[C@@H]1C(=O)NCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001365272869	950859392	/nfs/dbraw/zinc/85/93/92/950859392.db2.gz	YIEVWDUOXWGUNO-LLVKDONJSA-N	-1	0	300.322	0.017	20	30		DCEDRM
CCO[C@@H]1C[C@](O)(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C1(C)C	ZINC001591761410	951202203	/nfs/dbraw/zinc/20/22/03/951202203.db2.gz	FLFCRARURYTOLE-KMUNFCNLSA-N	-1	0	312.366	0.673	20	30		DCEDRM
Cc1c(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n[nH]c1C1CC1	ZINC001411747730	952426639	/nfs/dbraw/zinc/42/66/39/952426639.db2.gz	HJVSZOLIKHLMJQ-UHFFFAOYSA-N	-1	0	314.305	0.368	20	30		DCEDRM
C#CCCCC(=O)N[C@H](C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001335003698	952435090	/nfs/dbraw/zinc/43/50/90/952435090.db2.gz	KEUKCIXKAJESQX-SNVBAGLBSA-N	-1	0	318.377	0.804	20	30		DCEDRM
CC[C@H](C)[C@@](C)(O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001411796882	952457781	/nfs/dbraw/zinc/45/77/81/952457781.db2.gz	USQSYGMGJBSRFS-BONVTDFDSA-N	-1	0	322.365	0.124	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C(C)(C)CO)CC1	ZINC001411983126	952581207	/nfs/dbraw/zinc/58/12/07/952581207.db2.gz	XETRQHVFKHKNLG-UHFFFAOYSA-N	-1	0	318.377	0.496	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)n1	ZINC001412043746	952615904	/nfs/dbraw/zinc/61/59/04/952615904.db2.gz	LUSKDHHVEIVRGB-SNVBAGLBSA-N	-1	0	301.335	0.397	20	30		DCEDRM
COc1ccc(CCCNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001336476330	952705371	/nfs/dbraw/zinc/70/53/71/952705371.db2.gz	IWQPJBJHAVSEKH-UHFFFAOYSA-N	-1	0	314.345	0.999	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@@H]2CCCNC2=O)cc1C#N	ZINC001412524690	952866077	/nfs/dbraw/zinc/86/60/77/952866077.db2.gz	GAADXTRECFXOKE-QMMMGPOBSA-N	-1	0	320.374	0.637	20	30		DCEDRM
CC(C)CN(Cc1nnn[n-]1)C(=O)CNc1ccc(C#N)cn1	ZINC001412525259	952867519	/nfs/dbraw/zinc/86/75/19/952867519.db2.gz	DRBQZMTYLKSCKY-UHFFFAOYSA-N	-1	0	314.353	0.563	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C[C@H]1CCCOC1	ZINC001338946363	953063435	/nfs/dbraw/zinc/06/34/35/953063435.db2.gz	PJQGPXXKVCJHTJ-LLVKDONJSA-N	-1	0	318.381	0.551	20	30		DCEDRM
C=CCO[N-]C(=O)CNS(=O)(=O)c1ccc(OCC)cc1	ZINC001327336734	953072462	/nfs/dbraw/zinc/07/24/62/953072462.db2.gz	VVGDBFVHUWKWCU-UHFFFAOYSA-N	-1	0	314.363	0.597	20	30		DCEDRM
C[C@H](C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)[C@H]1CCCO1	ZINC001412791628	953095574	/nfs/dbraw/zinc/09/55/74/953095574.db2.gz	CCYNONPSUYDXJT-JOYOIKCWSA-N	-1	0	318.333	0.019	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCCCCO	ZINC001339710411	953114596	/nfs/dbraw/zinc/11/45/96/953114596.db2.gz	QSPKSGKSEHKUDZ-UHFFFAOYSA-N	-1	0	306.370	0.287	20	30		DCEDRM
C#C[C@@H]1CCCCN1c1nnc(-c2cc(=O)[nH][n-]2)n1CCOC	ZINC001342030142	953264945	/nfs/dbraw/zinc/26/49/45/953264945.db2.gz	KTASXXAUYDGASR-LLVKDONJSA-N	-1	0	316.365	0.141	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(-c2nnc(COC)o2)c1	ZINC001342582841	953296497	/nfs/dbraw/zinc/29/64/97/953296497.db2.gz	GMJXTFMCINVKEI-LLVKDONJSA-N	-1	0	314.301	0.951	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(CNC(N)=O)cc1	ZINC001343291561	953334889	/nfs/dbraw/zinc/33/48/89/953334889.db2.gz	MWSMGFXHBCLDNB-GFCCVEGCSA-N	-1	0	300.318	0.456	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCc2ncncc2C1	ZINC001343386965	953342560	/nfs/dbraw/zinc/34/25/60/953342560.db2.gz	OZUGVDDLGXNZOI-CMPLNLGQSA-N	-1	0	309.329	0.907	20	30		DCEDRM
COc1c(S(=O)(=O)[N-]C(=O)CCCC#N)c(C)nn1C	ZINC001343663876	953363544	/nfs/dbraw/zinc/36/35/44/953363544.db2.gz	RITOQQUXYWYUBF-UHFFFAOYSA-N	-1	0	300.340	0.236	20	30		DCEDRM
CC[C@H](C)[C@H]([NH2+]Cc1cc(=O)n2[n-]cc(C#N)c2n1)C(=O)[O-]	ZINC001593614340	953490077	/nfs/dbraw/zinc/49/00/77/953490077.db2.gz	KAYSSDZLBZKUSI-UFBFGSQYSA-N	-1	0	303.322	0.895	20	30		DCEDRM
CCc1ccc(NC(=O)[C@H](C#N)C(=O)COCC(=O)[O-])cc1	ZINC001593638372	953626447	/nfs/dbraw/zinc/62/64/47/953626447.db2.gz	ODOQMRIAERQKCS-GFCCVEGCSA-N	-1	0	304.302	0.998	20	30		DCEDRM
CCc1nc(C#N)cc(N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1	ZINC001593647369	953681778	/nfs/dbraw/zinc/68/17/78/953681778.db2.gz	BVQQRIOFSHIQKU-NSHDSACASA-N	-1	0	317.349	0.788	20	30		DCEDRM
CN(C)Cc1csc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001593703528	954140069	/nfs/dbraw/zinc/14/00/69/954140069.db2.gz	BPTXDDBMMQMHSN-CYBMUJFWSA-N	-1	0	310.379	0.825	20	30		DCEDRM
CN(C)c1nc(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])cs1	ZINC001593715447	954214206	/nfs/dbraw/zinc/21/42/06/954214206.db2.gz	PUNQOABGHXVQIX-ZDUSSCGKSA-N	-1	0	310.379	0.872	20	30		DCEDRM
CN(CCOCc1ccc(C#N)cc1)CC(=O)NCC(=O)[O-]	ZINC001593754047	954433978	/nfs/dbraw/zinc/43/39/78/954433978.db2.gz	VLPWNKKXBJZNLI-UHFFFAOYSA-N	-1	0	305.334	0.207	20	30		DCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001593759308	954469645	/nfs/dbraw/zinc/46/96/45/954469645.db2.gz	CLVDGUMWKPUFBW-CYBMUJFWSA-N	-1	0	315.329	0.450	20	30		DCEDRM
C=CC[C@@H](NC(=O)N[C@H]1CCN(c2ccccn2)C1)C(=O)[O-]	ZINC001350759786	955183362	/nfs/dbraw/zinc/18/33/62/955183362.db2.gz	UWEAPPHAPNHRTF-NWDGAFQWSA-N	-1	0	304.350	0.989	20	30		DCEDRM
Cc1oc(NC(=O)CN[C@@]2(C(=O)[O-])CCOC2)c(C#N)c1C	ZINC001594505781	955354826	/nfs/dbraw/zinc/35/48/26/955354826.db2.gz	DIRMMRRVQAJYRF-AWEZNQCLSA-N	-1	0	307.306	0.540	20	30		DCEDRM
Cn1cc(C(F)F)c(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001594530097	955520776	/nfs/dbraw/zinc/52/07/76/955520776.db2.gz	XEWZTUXNSPPDCL-GFCCVEGCSA-N	-1	0	300.265	0.978	20	30		DCEDRM
Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3cncc(C#N)n3)C2)cn1	ZINC001594539785	955625167	/nfs/dbraw/zinc/62/51/67/955625167.db2.gz	ZDMZGMHAWPUMBN-WDEREUQCSA-N	-1	0	312.333	0.776	20	30		DCEDRM
C#CCN1CCN(c2nnc(-c3cc(=O)n(C)[n-]3)n2CC)CC1	ZINC001352819472	955781447	/nfs/dbraw/zinc/78/14/47/955781447.db2.gz	BDGDBVAKCZWICT-UHFFFAOYSA-N	-1	0	315.381	0.159	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC001593906446	955921227	/nfs/dbraw/zinc/92/12/27/955921227.db2.gz	XFVJUTWVDZMKPT-UONOGXRCSA-N	-1	0	317.345	0.495	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001285757682	955957684	/nfs/dbraw/zinc/95/76/84/955957684.db2.gz	LGJPHXHUUNLXHN-RMLUDKJBSA-N	-1	0	323.353	0.120	20	30		DCEDRM
N#Cc1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)cc1O	ZINC001594617714	956253089	/nfs/dbraw/zinc/25/30/89/956253089.db2.gz	JDKHCARBEFVLCP-UHFFFAOYSA-N	-1	0	304.302	0.970	20	30		DCEDRM
N#Cc1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(F)c1	ZINC001594620786	956279506	/nfs/dbraw/zinc/27/95/06/956279506.db2.gz	RPUXJIFQZWNQPJ-LBPRGKRZSA-N	-1	0	312.322	0.381	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)COCC(=O)[O-])CC2)c(F)c1	ZINC001594621511	956286146	/nfs/dbraw/zinc/28/61/46/956286146.db2.gz	NBWAYJDCJMCQTG-UHFFFAOYSA-N	-1	0	321.308	0.447	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)nc1	ZINC001594622920	956293404	/nfs/dbraw/zinc/29/34/04/956293404.db2.gz	OXBAJOICCHUGKY-NWDGAFQWSA-N	-1	0	302.334	0.982	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001594631448	956341542	/nfs/dbraw/zinc/34/15/42/956341542.db2.gz	BDDBCDXBOSLKEJ-LBPRGKRZSA-N	-1	0	318.285	0.166	20	30		DCEDRM
C#CCC1(C(=O)N[C@H](C)CNC(=O)c2[nH]nc(C)c2[O-])CCC1	ZINC001354345470	956356952	/nfs/dbraw/zinc/35/69/52/956356952.db2.gz	XNGOEWRNFNLSNL-SNVBAGLBSA-N	-1	0	318.377	0.852	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)CS[C@H](C)C(=O)[O-])CC1	ZINC001589170105	956469135	/nfs/dbraw/zinc/46/91/35/956469135.db2.gz	ZLXMUNXMTZZWJX-NEPJUHHUSA-N	-1	0	313.423	0.885	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC001589187899	956572699	/nfs/dbraw/zinc/57/26/99/956572699.db2.gz	KQCJXZRUAJQIAC-AWEZNQCLSA-N	-1	0	302.290	0.215	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)CC(C)(C)CC#N)C1	ZINC001593968210	956584358	/nfs/dbraw/zinc/58/43/58/956584358.db2.gz	QJZNUXPYYWROBG-ZDUSSCGKSA-N	-1	0	318.395	0.679	20	30		DCEDRM
CC(C)C#CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2O)C1	ZINC001289013846	956716625	/nfs/dbraw/zinc/71/66/25/956716625.db2.gz	CGFWIBJFAINZPG-UKRRQHHQSA-N	-1	0	316.357	0.353	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2cccc(F)c2C#N)CCO1	ZINC001593981622	956717584	/nfs/dbraw/zinc/71/75/84/956717584.db2.gz	ZKMWQTYLVMASGS-HNNXBMFYSA-N	-1	0	322.292	0.640	20	30		DCEDRM
C=CCCCC(=O)N(CC)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001356141797	956782988	/nfs/dbraw/zinc/78/29/88/956782988.db2.gz	CKXZGABQURUSIY-UHFFFAOYSA-N	-1	0	323.353	0.217	20	30		DCEDRM
COCCOc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC001594020120	957076625	/nfs/dbraw/zinc/07/66/25/957076625.db2.gz	NYGRQKUYFOENGX-HNNXBMFYSA-N	-1	0	321.333	0.728	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)c2c[n-]ncc2=O)n1	ZINC001358172252	957433192	/nfs/dbraw/zinc/43/31/92/957433192.db2.gz	AHQAACRLALHPBI-UHFFFAOYSA-N	-1	0	315.333	0.301	20	30		DCEDRM
COCCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001594024828	957701251	/nfs/dbraw/zinc/70/12/51/957701251.db2.gz	XOZUTWGPBYKEIR-GARJFASQSA-N	-1	0	305.338	0.462	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC001588386618	957980684	/nfs/dbraw/zinc/98/06/84/957980684.db2.gz	SPBXDYNWEPEKRN-QWHCGFSZSA-N	-1	0	306.362	0.714	20	30		DCEDRM
COc1cc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)ccc1C#N	ZINC001594050690	957985104	/nfs/dbraw/zinc/98/51/04/957985104.db2.gz	LEJKRMMDVJYEKL-LRDDRELGSA-N	-1	0	316.313	0.740	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588391496	958023301	/nfs/dbraw/zinc/02/33/01/958023301.db2.gz	IKZUJYYNIPAZCN-GFCCVEGCSA-N	-1	0	318.329	0.143	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnc(F)c(Cl)c1	ZINC001588397224	958053285	/nfs/dbraw/zinc/05/32/85/958053285.db2.gz	ATIIVTYGAVFIKX-UHFFFAOYSA-N	-1	0	313.672	0.359	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccnn1CCC(C)C	ZINC001588397932	958066536	/nfs/dbraw/zinc/06/65/36/958066536.db2.gz	YVGQQTRCEANZIR-UHFFFAOYSA-N	-1	0	320.349	0.414	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCC(C(N)=O)CC2)cc1C#N	ZINC001361589228	958111343	/nfs/dbraw/zinc/11/13/43/958111343.db2.gz	FKIZPZOFNSJYRD-UHFFFAOYSA-N	-1	0	320.374	0.718	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(C#N)c(OC)c1	ZINC001588408814	958118039	/nfs/dbraw/zinc/11/80/39/958118039.db2.gz	GOHLYQJALVGWPH-UHFFFAOYSA-N	-1	0	301.302	0.796	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cnn(Cc2ccccn2)c1	ZINC001588413288	958158204	/nfs/dbraw/zinc/15/82/04/958158204.db2.gz	XSXNUZUUHKYOIN-UHFFFAOYSA-N	-1	0	313.317	0.878	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CC2(CCC2)CO1	ZINC001588425330	958224611	/nfs/dbraw/zinc/22/46/11/958224611.db2.gz	NNXWUAXSUBPFAF-NSHDSACASA-N	-1	0	301.364	0.295	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(C)sc1[N+](=O)[O-]	ZINC001588426456	958229331	/nfs/dbraw/zinc/22/93/31/958229331.db2.gz	KTLKCSIOQLNBFT-UHFFFAOYSA-N	-1	0	318.332	0.673	20	30		DCEDRM
Cc1csc([C@H](C)NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001361733735	958265097	/nfs/dbraw/zinc/26/50/97/958265097.db2.gz	YMJKRYRURRSPNI-QMMMGPOBSA-N	-1	0	319.346	0.463	20	30		DCEDRM
N#Cc1ccc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)s1	ZINC001361750218	958284215	/nfs/dbraw/zinc/28/42/15/958284215.db2.gz	ZMUHUZFLGZHRIN-UHFFFAOYSA-N	-1	0	314.330	0.321	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)C(=O)OC	ZINC001588442276	958342862	/nfs/dbraw/zinc/34/28/62/958342862.db2.gz	QNQAUEGPKUQVHG-SRVKXCTJSA-N	-1	0	313.350	0.880	20	30		DCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCOCCOCC(=O)[O-]	ZINC001588445084	958369648	/nfs/dbraw/zinc/36/96/48/958369648.db2.gz	ACIPLYIDOVNLFQ-BETUJISGSA-N	-1	0	312.366	0.997	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1CCOC	ZINC001588452012	958416839	/nfs/dbraw/zinc/41/68/39/958416839.db2.gz	HDZAOCXOHTYJHL-MNOVXSKESA-N	-1	0	310.354	0.445	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)C(=O)OC	ZINC001573337618	958525710	/nfs/dbraw/zinc/52/57/10/958525710.db2.gz	SWNYMDJEUFMDQE-NXEZZACHSA-N	-1	0	301.339	0.594	20	30		DCEDRM
C=CCn1c([C@H](O)COC)nnc1N1CCC(C)(C(=O)[O-])CC1	ZINC001588471985	958538573	/nfs/dbraw/zinc/53/85/73/958538573.db2.gz	HEXADCXAOBCRJB-LLVKDONJSA-N	-1	0	324.381	0.835	20	30		DCEDRM
C[C@@]1(C#N)CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCO1	ZINC001361975735	958562903	/nfs/dbraw/zinc/56/29/03/958562903.db2.gz	NAEGNRRKPXRFCC-CYBMUJFWSA-N	-1	0	324.362	0.208	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(=O)NC1CCCC1	ZINC001362051657	958659478	/nfs/dbraw/zinc/65/94/78/958659478.db2.gz	XPJRZNNMDOZDRJ-UHFFFAOYSA-N	-1	0	302.334	0.756	20	30		DCEDRM
CCNc1ccc(C#N)cc1NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001362154396	958837204	/nfs/dbraw/zinc/83/72/04/958837204.db2.gz	NPELYMHQOWCIEF-UHFFFAOYSA-N	-1	0	302.294	0.631	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC([C@@]2(C)COC(=O)N2)CC1	ZINC001588535049	958926963	/nfs/dbraw/zinc/92/69/63/958926963.db2.gz	LZOOCZHDZFTGQC-HUUCEWRRSA-N	-1	0	323.349	0.728	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1	ZINC001588536451	958935459	/nfs/dbraw/zinc/93/54/59/958935459.db2.gz	YDDOYRXQRQMADU-BMIGLBTASA-N	-1	0	307.350	0.508	20	30		DCEDRM
CC(C)(C)N1C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1=O	ZINC001588558382	959085517	/nfs/dbraw/zinc/08/55/17/959085517.db2.gz	ROIGGJSDKHFPFX-MEBBXXQBSA-N	-1	0	309.366	0.754	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC001362340702	959174822	/nfs/dbraw/zinc/17/48/22/959174822.db2.gz	YYZHEKLMKRVHAF-UHFFFAOYSA-N	-1	0	309.347	0.062	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O	ZINC001362363232	959217417	/nfs/dbraw/zinc/21/74/17/959217417.db2.gz	XKHSADQXZCYRCA-GAFUQQFSSA-N	-1	0	314.345	0.693	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN(CC(=O)[O-])C2CC2)cc1	ZINC000163335204	959233116	/nfs/dbraw/zinc/23/31/16/959233116.db2.gz	WPZMPQVNYXTHHY-UHFFFAOYSA-N	-1	0	308.359	0.881	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C[C@H](C)O)CC1	ZINC001362395155	959271844	/nfs/dbraw/zinc/27/18/44/959271844.db2.gz	OZSNXUWWMOYWFR-NSHDSACASA-N	-1	0	304.350	0.106	20	30		DCEDRM
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](C)C(=O)[O-])CC2)o1	ZINC001594444914	959319435	/nfs/dbraw/zinc/31/94/35/959319435.db2.gz	DLLWFSZZPBMLRV-VIFPVBQESA-N	-1	0	320.349	0.908	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001491810452	959325264	/nfs/dbraw/zinc/32/52/64/959325264.db2.gz	ATWWATIRAIAHRT-LLVKDONJSA-N	-1	0	304.350	0.558	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1	ZINC001362437156	959356883	/nfs/dbraw/zinc/35/68/83/959356883.db2.gz	GPOAGIGINLFWCB-ZBEGNZNMSA-N	-1	0	317.345	0.987	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1([S@@](C)=O)CCC1	ZINC001362449255	959375402	/nfs/dbraw/zinc/37/54/02/959375402.db2.gz	DMSNJUKGSYKNSO-OAQYLSRUSA-N	-1	0	307.375	0.998	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@@H]2CCSC2)c(=O)[n-]c1=O	ZINC001362492543	959460651	/nfs/dbraw/zinc/46/06/51/959460651.db2.gz	DTOXPHBUPORSMM-VIFPVBQESA-N	-1	0	308.363	0.080	20	30		DCEDRM
CC(C)(C#N)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001588606848	959482359	/nfs/dbraw/zinc/48/23/59/959482359.db2.gz	MQZLLNXIPGVTEQ-SNVBAGLBSA-N	-1	0	307.350	0.460	20	30		DCEDRM
CCOC1CC(O)(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362583070	959642419	/nfs/dbraw/zinc/64/24/19/959642419.db2.gz	DGJZHLMQNAETFK-UHFFFAOYSA-N	-1	0	305.334	0.627	20	30		DCEDRM
N#CCC1(O)CN(C(=O)c2ncc(Br)cc2[O-])C1	ZINC001362627370	959725021	/nfs/dbraw/zinc/72/50/21/959725021.db2.gz	OJSUFUFLRIPCOO-UHFFFAOYSA-N	-1	0	312.123	0.650	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCC2(CO)COC2)cc1C#N	ZINC001362642915	959751937	/nfs/dbraw/zinc/75/19/37/959751937.db2.gz	NAAZXNRLMPQMAW-UHFFFAOYSA-N	-1	0	309.347	0.119	20	30		DCEDRM
C=CCC1(O)CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC001303534910	960052895	/nfs/dbraw/zinc/05/28/95/960052895.db2.gz	OULKNHWTVUJRJL-UHFFFAOYSA-N	-1	0	302.290	0.199	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H](C#N)C2)cn1	ZINC001362882334	960128087	/nfs/dbraw/zinc/12/80/87/960128087.db2.gz	ZWJDMRJLAGHWCA-JTQLQIEISA-N	-1	0	308.363	0.829	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@]2(CCCOC2)C1	ZINC001362895490	960144547	/nfs/dbraw/zinc/14/45/47/960144547.db2.gz	RNXJVJUUZBSFLH-MRXNPFEDSA-N	-1	0	317.345	0.989	20	30		DCEDRM
C[C@H](CC(F)(F)F)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363001819	960283176	/nfs/dbraw/zinc/28/31/76/960283176.db2.gz	CJZHCZFCMWJNKN-SSDOTTSWSA-N	-1	0	318.255	0.525	20	30		DCEDRM
N#CC1(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)CCOCC1	ZINC001363051482	960346710	/nfs/dbraw/zinc/34/67/10/960346710.db2.gz	QNSDUBZXECJZDD-LBPRGKRZSA-N	-1	0	312.333	0.726	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1	ZINC001363117424	960422905	/nfs/dbraw/zinc/42/29/05/960422905.db2.gz	WZRMBWAOAMAYFQ-BFHYXJOUSA-N	-1	0	324.344	0.775	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cc(C3CC3)no2)c(=O)[n-]c1=O	ZINC001363129496	960441858	/nfs/dbraw/zinc/44/18/58/960441858.db2.gz	RZYVNKZYITVYBP-UHFFFAOYSA-N	-1	0	315.289	0.116	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCOc3ccc(O)cc3C2)c(C#N)c1=O	ZINC001363152405	960492270	/nfs/dbraw/zinc/49/22/70/960492270.db2.gz	IELIMWPMSHVIQM-UHFFFAOYSA-N	-1	0	314.301	0.050	20	30		DCEDRM
CCO[C@H]1COCC[C@@H]1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363162653	960516117	/nfs/dbraw/zinc/51/61/17/960516117.db2.gz	XCHNTACASGZAJP-SKDRFNHKSA-N	-1	0	303.322	0.923	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001573769416	960650682	/nfs/dbraw/zinc/65/06/82/960650682.db2.gz	RYZVNCDJGJZPOK-AXFHLTTASA-N	-1	0	303.384	0.556	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CSc2n[nH]c(=O)[n-]2)cc1F	ZINC001363313423	960869615	/nfs/dbraw/zinc/86/96/15/960869615.db2.gz	ZXRVKQGYRPLNIG-UHFFFAOYSA-N	-1	0	307.310	0.930	20	30		DCEDRM
Cc1nc2ncnn2c(N2CCC(C#N)(C(=O)[O-])CC2)c1C	ZINC001571071937	960906369	/nfs/dbraw/zinc/90/63/69/960906369.db2.gz	DCPIFSCFJQJZOX-UHFFFAOYSA-N	-1	0	300.322	0.936	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC(Nc2ccnc(C(=O)[O-])n2)CC1	ZINC001571079760	960986562	/nfs/dbraw/zinc/98/65/62/960986562.db2.gz	IDRVBOKFMYDFHO-VIFPVBQESA-N	-1	0	303.322	0.159	20	30		DCEDRM
N#Cc1ccsc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001571096602	961173520	/nfs/dbraw/zinc/17/35/20/961173520.db2.gz	PAFSPUPDBBAOGS-VIFPVBQESA-N	-1	0	307.331	0.425	20	30		DCEDRM
CC[C@](C)(NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001363481648	961248851	/nfs/dbraw/zinc/24/88/51/961248851.db2.gz	XYQLRRFTAKOHKY-HNNXBMFYSA-N	-1	0	304.350	0.906	20	30		DCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@@]12C[C@@H]1CCCC2	ZINC001363510735	961316042	/nfs/dbraw/zinc/31/60/42/961316042.db2.gz	SUCJWPHKBQLHPG-KNHMANMVSA-N	-1	0	316.361	0.906	20	30		DCEDRM
N#CC1(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)CCOCC1	ZINC001363527147	961365683	/nfs/dbraw/zinc/36/56/83/961365683.db2.gz	IRPQHZVOIXMFFH-UHFFFAOYSA-N	-1	0	319.283	0.444	20	30		DCEDRM
Cc1nsc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c1C#N	ZINC001574443661	961428826	/nfs/dbraw/zinc/42/88/26/961428826.db2.gz	BBYPVQNTMXRSJE-MRVPVSSYSA-N	-1	0	322.346	0.585	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001571125848	961496642	/nfs/dbraw/zinc/49/66/42/961496642.db2.gz	ISNFZHMQJXYHSP-MJDLHHQISA-N	-1	0	315.395	0.554	20	30		DCEDRM
CC(C)[C@H](NC(=O)Cn1c2c(cc(C#N)c1=O)CCC2)C(=O)[O-]	ZINC001571133497	961593694	/nfs/dbraw/zinc/59/36/94/961593694.db2.gz	QKCSMDHOHCNHJJ-AWEZNQCLSA-N	-1	0	317.345	0.434	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(C#N)cc1OC	ZINC001571145226	961726911	/nfs/dbraw/zinc/72/69/11/961726911.db2.gz	OTGCYHPHGZKGRV-LLVKDONJSA-N	-1	0	320.301	0.703	20	30		DCEDRM
CCOC(=O)[C@@H]1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001363796896	961906238	/nfs/dbraw/zinc/90/62/38/961906238.db2.gz	UOVNLUQRXLQCGM-SNVBAGLBSA-N	-1	0	303.318	0.993	20	30		DCEDRM
CN(Cc1cc(=O)n2[n-]cc(C#N)c2n1)[C@H]1CC(C)(C)OC1=O	ZINC001363796996	961907038	/nfs/dbraw/zinc/90/70/38/961907038.db2.gz	IGOMVDPUYPUASM-NSHDSACASA-N	-1	0	315.333	0.832	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnn2c1nc(C)cc2C)C(=O)[O-]	ZINC001347997130	962434664	/nfs/dbraw/zinc/43/46/64/962434664.db2.gz	FCKVSCZQNCLGKA-LBPRGKRZSA-N	-1	0	318.333	0.732	20	30		DCEDRM
C#CCOCCC(=O)N[C@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001573311100	962695020	/nfs/dbraw/zinc/69/50/20/962695020.db2.gz	HQDCWZCQMQGVNH-SNVBAGLBSA-N	-1	0	306.322	0.131	20	30		DCEDRM
C[C@@H]1CCC[C@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364221813	962699077	/nfs/dbraw/zinc/69/90/77/962699077.db2.gz	WHTKLEKAZQOBEX-MWLCHTKSSA-N	-1	0	305.338	0.308	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])nc1	ZINC001573311931	962717514	/nfs/dbraw/zinc/71/75/14/962717514.db2.gz	KFVMADFVINXZOP-GFCCVEGCSA-N	-1	0	301.327	0.945	20	30		DCEDRM
CC(C)n1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c(=O)[nH]c1=O	ZINC001588981042	962725557	/nfs/dbraw/zinc/72/55/57/962725557.db2.gz	USLGGJNPEOUQQT-CQSZACIVSA-N	-1	0	322.321	0.151	20	30		DCEDRM
C=C(Br)CN(C)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001573313609	962732500	/nfs/dbraw/zinc/73/25/00/962732500.db2.gz	MDAWVIRYLJVGBH-DTWKUNHWSA-N	-1	0	305.172	0.664	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573320691	962750674	/nfs/dbraw/zinc/75/06/74/962750674.db2.gz	DUHFMMWJUSCRLN-NEPJUHHUSA-N	-1	0	308.378	0.979	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@@H]2[C@H]3CN(C(=O)CNC(=O)[O-])C[C@H]32)C1	ZINC001573344440	962918198	/nfs/dbraw/zinc/91/81/98/962918198.db2.gz	YIZFUFYDIQJNRR-CNDDSTCGSA-N	-1	0	321.377	0.431	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])C[C@H]1C	ZINC001573347109	962945586	/nfs/dbraw/zinc/94/55/86/962945586.db2.gz	JESUFXWJJBJTFR-GRYCIOLGSA-N	-1	0	311.382	0.819	20	30		DCEDRM
C=CCCC(=O)N(C)CC1CCN(C(=O)CNC(=O)[O-])CC1	ZINC001573352833	962992810	/nfs/dbraw/zinc/99/28/10/962992810.db2.gz	KVKHMMCHOOWZBY-UHFFFAOYSA-N	-1	0	311.382	0.917	20	30		DCEDRM
C=CCOCCCC(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573368665	963084361	/nfs/dbraw/zinc/08/43/61/963084361.db2.gz	JLNYQXYPHQCJKF-QWHCGFSZSA-N	-1	0	324.377	0.359	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H](CNc2ccnc(C(=O)[O-])n2)C1	ZINC001588435599	964024882	/nfs/dbraw/zinc/02/48/82/964024882.db2.gz	VNOFOXFXTBMANX-GFCCVEGCSA-N	-1	0	316.361	0.661	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1Cn1nnnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588442290	964055764	/nfs/dbraw/zinc/05/57/64/964055764.db2.gz	QQTSLGRZGONKSO-SRVKXCTJSA-N	-1	0	307.354	0.565	20	30		DCEDRM
C#CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@H](OC)C1	ZINC001588447340	964086581	/nfs/dbraw/zinc/08/65/81/964086581.db2.gz	WLWROHDEAHCYEZ-AGIUHOORSA-N	-1	0	317.407	0.978	20	30		DCEDRM
C#CCCN(CCOC)C(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC001588447971	964093581	/nfs/dbraw/zinc/09/35/81/964093581.db2.gz	VKTDEDSZVQKMGG-UHFFFAOYSA-N	-1	0	324.358	0.883	20	30		DCEDRM
CC[C@]1(C)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001447812234	1013560553	/nfs/dbraw/zinc/56/05/53/1013560553.db2.gz	KRCKKHITTQITIQ-OAHLLOKOSA-N	-1	0	320.349	0.238	20	30		DCEDRM
CCCCCCCNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001605267259	1169883852	/nfs/dbraw/zinc/88/38/52/1169883852.db2.gz	IDCCSEYHGYAHRV-GFCCVEGCSA-N	-1	0	314.382	0.775	20	30		DCEDRM
CC(C)C[C@@H](C)OC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001475509839	1017117354	/nfs/dbraw/zinc/11/73/54/1017117354.db2.gz	BFQHDBLODBRZAS-SNVBAGLBSA-N	-1	0	308.338	0.981	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cc3nccn3cn2)n1C	ZINC001588426367	969881631	/nfs/dbraw/zinc/88/16/31/969881631.db2.gz	HNGRIEMEEMJPFR-UHFFFAOYSA-N	-1	0	311.305	0.049	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC001608205173	970402458	/nfs/dbraw/zinc/40/24/58/970402458.db2.gz	WGZASAUOVPALTA-GFCCVEGCSA-N	-1	0	301.302	0.108	20	30		DCEDRM
C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001609469931	970421147	/nfs/dbraw/zinc/42/11/47/970421147.db2.gz	CLXJKDJPYCIDRK-IAQYHMDHSA-N	-1	0	322.365	0.853	20	30		DCEDRM
CC(C)CN1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@H](C)C1=O	ZINC001609805884	970537920	/nfs/dbraw/zinc/53/79/20/970537920.db2.gz	XNMHDMAGVBJZAN-ABAIWWIYSA-N	-1	0	309.366	0.706	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)N(C)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001609887731	970582739	/nfs/dbraw/zinc/58/27/39/970582739.db2.gz	STXJCRYPWKKCBJ-LLVKDONJSA-N	-1	0	317.345	0.696	20	30		DCEDRM
CN1C(=O)COc2cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc21	ZINC001604195451	972630307	/nfs/dbraw/zinc/63/03/07/972630307.db2.gz	CBIFGJDVDQKTFK-OAHLLOKOSA-N	-1	0	317.301	0.985	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2c[nH]c(C#N)c2)c1[O-]	ZINC001448810688	1014051142	/nfs/dbraw/zinc/05/11/42/1014051142.db2.gz	DNEFHFWUDWIWDI-UHFFFAOYSA-N	-1	0	316.321	0.126	20	30		DCEDRM
CC[C@@H](C#N)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001603487832	973415022	/nfs/dbraw/zinc/41/50/22/973415022.db2.gz	DERFMKBBVGOGCI-QWRGUYRKSA-N	-1	0	307.350	0.460	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001605467476	973575708	/nfs/dbraw/zinc/57/57/08/973575708.db2.gz	OQAHIYDIAFZTBR-LLVKDONJSA-N	-1	0	318.333	0.092	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(Cc2ccc(F)cc2C#N)CCO1	ZINC001604565851	973633315	/nfs/dbraw/zinc/63/33/15/973633315.db2.gz	ZPXYUVBOSASJRG-HNNXBMFYSA-N	-1	0	308.309	0.999	20	30		DCEDRM
Cn1nccc1[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC001605569626	973824202	/nfs/dbraw/zinc/82/42/02/973824202.db2.gz	FSHUXMSALOPEIZ-FZMZJTMJSA-N	-1	0	306.322	0.325	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)c2cc(C(=O)[O-])n[nH]2)cc1	ZINC001605585888	973879388	/nfs/dbraw/zinc/87/93/88/973879388.db2.gz	LJGUBOKFUINPES-UHFFFAOYSA-N	-1	0	300.274	0.940	20	30		DCEDRM
N#Cc1ccncc1N1CCN(C(=O)CSCC(=O)[O-])CC1	ZINC001605622930	973945995	/nfs/dbraw/zinc/94/59/95/973945995.db2.gz	JOKKEPYCRXUBDX-UHFFFAOYSA-N	-1	0	320.374	0.420	20	30		DCEDRM
CC(C)n1ncc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1N	ZINC001592149461	977017497	/nfs/dbraw/zinc/01/74/97/977017497.db2.gz	HDYRAWQEXMWVGV-UHFFFAOYSA-N	-1	0	305.338	0.877	20	30		DCEDRM
C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)C#CC(C)(C)C	ZINC001592728581	979237963	/nfs/dbraw/zinc/23/79/63/979237963.db2.gz	DJUFGJXSHPEGMD-NSHDSACASA-N	-1	0	318.377	0.905	20	30		DCEDRM
CC[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C(=O)[O-]	ZINC001595134569	979567016	/nfs/dbraw/zinc/56/70/16/979567016.db2.gz	XXVDZLKTMIUHEY-SECBINFHSA-N	-1	0	307.281	0.863	20	30		DCEDRM
C=CCOCCCC(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001530389159	1014720121	/nfs/dbraw/zinc/72/01/21/1014720121.db2.gz	KCDUVCRVVSRDLH-UHFFFAOYSA-N	-1	0	322.365	0.347	20	30		DCEDRM
CCC[C@H](C)N1C[C@H](C(=O)N(CC#N)CCC(=O)[O-])CC1=O	ZINC001595578042	981497328	/nfs/dbraw/zinc/49/73/28/981497328.db2.gz	FMANMVOSQGREDG-NWDGAFQWSA-N	-1	0	309.366	0.850	20	30		DCEDRM
CCC[C@H](O)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001595607406	981601878	/nfs/dbraw/zinc/60/18/78/981601878.db2.gz	KCUDSVSXIFILON-JTQLQIEISA-N	-1	0	312.347	0.696	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCCCOC	ZINC001524240393	1014903526	/nfs/dbraw/zinc/90/35/26/1014903526.db2.gz	PFMSSWWJPFXUTC-UHFFFAOYSA-N	-1	0	320.397	0.941	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC001573534580	983055321	/nfs/dbraw/zinc/05/53/21/983055321.db2.gz	AOPINRGDDHTNKI-GMTAPVOTSA-N	-1	0	319.383	0.077	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])nc1	ZINC001574249131	983202691	/nfs/dbraw/zinc/20/26/91/983202691.db2.gz	FTQQRMRWYVGAJH-NEPJUHHUSA-N	-1	0	318.333	0.504	20	30		DCEDRM
N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCC(=O)[O-])c1	ZINC001574790712	983276257	/nfs/dbraw/zinc/27/62/57/983276257.db2.gz	HHZRCEOBMVZTIE-UHFFFAOYSA-N	-1	0	314.294	0.327	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC	ZINC001588368084	983303397	/nfs/dbraw/zinc/30/33/97/983303397.db2.gz	GMRXSHOVGHSQQW-VIFPVBQESA-N	-1	0	304.302	0.812	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001588368982	983309984	/nfs/dbraw/zinc/30/99/84/983309984.db2.gz	XKMFEAGJLFYPEE-LLVKDONJSA-N	-1	0	317.345	0.915	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)[C@H]1CCCO1	ZINC001588370446	983319408	/nfs/dbraw/zinc/31/94/08/983319408.db2.gz	DDWQIWLKWBFRPN-MROQNXINSA-N	-1	0	322.361	0.043	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCSC[C@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC001588372504	983331655	/nfs/dbraw/zinc/33/16/55/983331655.db2.gz	MCQBGQGEPAOSCN-GRYCIOLGSA-N	-1	0	312.391	0.626	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001588384044	983386263	/nfs/dbraw/zinc/38/62/63/983386263.db2.gz	SXSVLVFVFXDHRO-CYBMUJFWSA-N	-1	0	316.313	0.113	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001588394728	983403828	/nfs/dbraw/zinc/40/38/28/983403828.db2.gz	NTNJGEIHBQGXJL-SECBINFHSA-N	-1	0	306.322	0.687	20	30		DCEDRM
C#CC[C@@H](COC)NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001588395099	983404534	/nfs/dbraw/zinc/40/45/34/983404534.db2.gz	PNXGCMFLSIPHLQ-ZDUSSCGKSA-N	-1	0	311.359	0.843	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1)C(=O)[O-]	ZINC001588399048	983414619	/nfs/dbraw/zinc/41/46/19/983414619.db2.gz	PZRKVDIMAGLIJX-GXFFZTMASA-N	-1	0	318.304	0.771	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1c(C)nn(COCC)c1C)C(=O)[O-]	ZINC001588405018	983419931	/nfs/dbraw/zinc/41/99/31/983419931.db2.gz	JMMWUAMHHKYZAZ-ZDUSSCGKSA-N	-1	0	307.350	0.629	20	30		DCEDRM
C#CC[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1O)C(=O)[O-]	ZINC001588405231	983420365	/nfs/dbraw/zinc/42/03/65/983420365.db2.gz	KXTHDTIIHNDZJQ-LBPRGKRZSA-N	-1	0	318.329	0.413	20	30		DCEDRM
C#CC[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)[O-]	ZINC001588405826	983422939	/nfs/dbraw/zinc/42/29/39/983422939.db2.gz	UDUIRTAFIXPLGA-LBPRGKRZSA-N	-1	0	315.281	0.765	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cccc(C(=O)N2CCCC2)n1)C(=O)[O-]	ZINC001588416181	983436373	/nfs/dbraw/zinc/43/63/73/983436373.db2.gz	KEAPXVKBABYPQC-ZDUSSCGKSA-N	-1	0	315.329	0.524	20	30		DCEDRM
C#CCC1(O)CCN(S(=O)(=O)c2occc2C(=O)[O-])CC1	ZINC001588431545	983465022	/nfs/dbraw/zinc/46/50/22/983465022.db2.gz	KRPLVYRAWYLVDX-UHFFFAOYSA-N	-1	0	313.331	0.517	20	30		DCEDRM
C#CCC1(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)CCOCC1	ZINC001588431882	983466087	/nfs/dbraw/zinc/46/60/87/983466087.db2.gz	PRXHXPLXSNEPHP-UHFFFAOYSA-N	-1	0	324.358	0.631	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC001588461259	983489483	/nfs/dbraw/zinc/48/94/83/983489483.db2.gz	JGNFOXGPKKPBHA-UHFFFAOYSA-N	-1	0	304.302	0.570	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1	ZINC001588466115	983498320	/nfs/dbraw/zinc/49/83/20/983498320.db2.gz	VVASPPINGWFLRK-UHFFFAOYSA-N	-1	0	308.315	0.541	20	30		DCEDRM
C#CCN(Cc1cc(C(=O)[O-])c(CC)[nH]1)[C@@H]1CCS(=O)(=O)C1	ZINC001588469951	983503843	/nfs/dbraw/zinc/50/38/43/983503843.db2.gz	VQLWABFQCVQBHT-GFCCVEGCSA-N	-1	0	324.402	0.898	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)N1CCOc2c(cccc2C(=O)[O-])C1	ZINC001588479177	983517830	/nfs/dbraw/zinc/51/78/30/983517830.db2.gz	BALSIUTXBDOENQ-LLVKDONJSA-N	-1	0	302.330	0.717	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC001588491703	983537372	/nfs/dbraw/zinc/53/73/72/983537372.db2.gz	TVQYOXAALZSITQ-UHFFFAOYSA-N	-1	0	315.322	0.794	20	30		DCEDRM
C#CCOc1ccc(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])cc1	ZINC001588497618	983540222	/nfs/dbraw/zinc/54/02/22/983540222.db2.gz	RADRUHIKJXZIFB-LLVKDONJSA-N	-1	0	311.359	0.839	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)NC[C@@H](O)CC(=O)[O-]	ZINC001588498811	983544235	/nfs/dbraw/zinc/54/42/35/983544235.db2.gz	HQWPXQUVQSNATQ-JTQLQIEISA-N	-1	0	310.281	0.795	20	30		DCEDRM
C#CCOc1ccc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])cc1	ZINC001588499349	983545302	/nfs/dbraw/zinc/54/53/02/983545302.db2.gz	XYQPULXFZAYJSY-AWEZNQCLSA-N	-1	0	313.313	0.778	20	30		DCEDRM
C#CCn1cc(CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)cn1	ZINC001588509885	983553940	/nfs/dbraw/zinc/55/39/40/983553940.db2.gz	RQLDJPKUWSBDRE-UHFFFAOYSA-N	-1	0	320.330	0.088	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1	ZINC001588517350	983564427	/nfs/dbraw/zinc/56/44/27/983564427.db2.gz	QYDOVDHSCHGIKJ-HNNXBMFYSA-N	-1	0	304.277	0.632	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)c1	ZINC001588523670	983573337	/nfs/dbraw/zinc/57/33/37/983573337.db2.gz	RNBFBHVJBCTXLF-QWRGUYRKSA-N	-1	0	322.267	0.689	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001588524634	983575825	/nfs/dbraw/zinc/57/58/25/983575825.db2.gz	OOZCWWNELRZHFF-AWEZNQCLSA-N	-1	0	317.341	0.933	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001588533992	983585216	/nfs/dbraw/zinc/58/52/16/983585216.db2.gz	CUJIJFQBUSSPNT-XQHKEYJVSA-N	-1	0	312.366	0.445	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-]	ZINC001588537351	983599436	/nfs/dbraw/zinc/59/94/36/983599436.db2.gz	NHBGXMMULNBYBU-KOLCDFICSA-N	-1	0	306.322	0.298	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CNC(=O)OCC(F)(F)F)C(=O)[O-]	ZINC001588542586	983609208	/nfs/dbraw/zinc/60/92/08/983609208.db2.gz	MOVMKCCPKJHTJT-SSDOTTSWSA-N	-1	0	312.244	0.811	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1cnc2c(c1)NC(=O)CN2C)C(=O)[O-]	ZINC001588548785	983625611	/nfs/dbraw/zinc/62/56/11/983625611.db2.gz	UDWRXPRQCJEIQO-NSHDSACASA-N	-1	0	318.333	0.619	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@](CC)(COC)C(=O)[O-]	ZINC001596231041	983625802	/nfs/dbraw/zinc/62/58/02/983625802.db2.gz	GMALUDGIKIGPKM-CMPLNLGQSA-N	-1	0	321.399	0.182	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@](CC)(COC)C(=O)[O-]	ZINC001596231053	983625873	/nfs/dbraw/zinc/62/58/73/983625873.db2.gz	GMALUDGIKIGPKM-ZYHUDNBSSA-N	-1	0	321.399	0.182	20	30		DCEDRM
C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001588562852	983643830	/nfs/dbraw/zinc/64/38/30/983643830.db2.gz	JPNQYMHOHJOUEG-LLVKDONJSA-N	-1	0	323.349	0.938	20	30		DCEDRM
C=C(C)Cn1c(C2CC(O)C2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588591996	983675055	/nfs/dbraw/zinc/67/50/55/983675055.db2.gz	PJQZKKNNGUUYML-MCIGGMRASA-N	-1	0	322.365	0.382	20	30		DCEDRM
C=C(C)Cn1c(C[C@H](C)O)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588597628	983680172	/nfs/dbraw/zinc/68/01/72/983680172.db2.gz	IVODDSRGYDUQAR-RYUDHWBXSA-N	-1	0	324.381	0.457	20	30		DCEDRM
C=C(C)Cn1c(CCOC)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588597712	983680233	/nfs/dbraw/zinc/68/02/33/983680233.db2.gz	JOHZJTJGCIZQOT-OAHLLOKOSA-N	-1	0	324.381	0.723	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001588599509	983690338	/nfs/dbraw/zinc/69/03/38/983690338.db2.gz	UCAZSXDREYGICU-GVXVVHGQSA-N	-1	0	313.350	0.690	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001588599510	983690595	/nfs/dbraw/zinc/69/05/95/983690595.db2.gz	UCAZSXDREYGICU-LOWVWBTDSA-N	-1	0	313.350	0.690	20	30		DCEDRM
C=C(CC)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC001588605934	983695653	/nfs/dbraw/zinc/69/56/53/983695653.db2.gz	QVPPYQTUHOYZHI-ZDUSSCGKSA-N	-1	0	318.329	0.948	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC001596299343	983723154	/nfs/dbraw/zinc/72/31/54/983723154.db2.gz	CSTUTNODALPIPO-SDDRHHMPSA-N	-1	0	315.395	0.652	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](n1cncn1)C(F)(F)F	ZINC001588623117	983726535	/nfs/dbraw/zinc/72/65/35/983726535.db2.gz	JTMRLIOLCWWEEV-QMMMGPOBSA-N	-1	0	306.244	0.919	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588632863	983746653	/nfs/dbraw/zinc/74/66/53/983746653.db2.gz	CTHOUVBBIAGGSP-XHDPSFHLSA-N	-1	0	311.334	0.446	20	30		DCEDRM
CCN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cncc(C#N)n1	ZINC001596326057	983758847	/nfs/dbraw/zinc/75/88/47/983758847.db2.gz	BHYIJHZBPRIURZ-VXGBXAGGSA-N	-1	0	317.349	0.402	20	30		DCEDRM
C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588643219	983765469	/nfs/dbraw/zinc/76/54/69/983765469.db2.gz	AQULOOHFKUZIMV-NWDGAFQWSA-N	-1	0	324.377	0.001	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1	ZINC001588669068	983809491	/nfs/dbraw/zinc/80/94/91/983809491.db2.gz	GCELWNORNCOFKV-GJMOJQLCSA-N	-1	0	301.286	0.533	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCC[C@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001588684892	983864999	/nfs/dbraw/zinc/86/49/99/983864999.db2.gz	ZYAYWUNMAMLWIX-BONVTDFDSA-N	-1	0	322.365	0.809	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12	ZINC001588693081	983889842	/nfs/dbraw/zinc/88/98/42/983889842.db2.gz	QVVAGRSGXFBCNC-JRPNMDOOSA-N	-1	0	310.350	0.159	20	30		DCEDRM
C=C[C@@H](OC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-]	ZINC001588705953	983929188	/nfs/dbraw/zinc/92/91/88/983929188.db2.gz	SQWOXLPSYBDRGY-PSASIEDQSA-N	-1	0	306.336	0.151	20	30		DCEDRM
C=C[C@H](OC(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001588710713	983933705	/nfs/dbraw/zinc/93/37/05/983933705.db2.gz	HZILCSLZYRFACE-KOLCDFICSA-N	-1	0	307.306	0.346	20	30		DCEDRM
CCN1C[C@H](CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1=O	ZINC001596398577	983951888	/nfs/dbraw/zinc/95/18/88/983951888.db2.gz	ZQJLNIRQDBDNPH-NSHDSACASA-N	-1	0	322.365	0.255	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1	ZINC001588731230	984007542	/nfs/dbraw/zinc/00/75/42/984007542.db2.gz	FSPXTPZDEOKOIC-LLVKDONJSA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=CCC(C)(C)Cn1nnnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588736492	984025582	/nfs/dbraw/zinc/02/55/82/984025582.db2.gz	LLSAUUBAUPKVKW-CQSZACIVSA-N	-1	0	309.370	0.955	20	30		DCEDRM
C=CCCC(=O)NCC1(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCOCC1	ZINC001588773766	984149379	/nfs/dbraw/zinc/14/93/79/984149379.db2.gz	JCKNPVKAVBABEV-RYUDHWBXSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)CCN1CCOC1=O)C(=O)[O-]	ZINC001588798004	984232775	/nfs/dbraw/zinc/23/27/75/984232775.db2.gz	QVDXMVVWXZAWEA-JTQLQIEISA-N	-1	0	320.367	0.168	20	30		DCEDRM
C=CCCn1cc(CN2C[C@H](C(=O)OC)CC[C@H]2C(=O)[O-])nn1	ZINC001588819716	984278576	/nfs/dbraw/zinc/27/85/76/984278576.db2.gz	ANTMHKIOEZCPHG-YPMHNXCESA-N	-1	0	322.365	0.692	20	30		DCEDRM
C=CCN(Cc1oncc1C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC001588831628	984315410	/nfs/dbraw/zinc/31/54/10/984315410.db2.gz	FPWKEUQWCJRZJP-VIFPVBQESA-N	-1	0	300.336	0.548	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1=O	ZINC001588836706	984328709	/nfs/dbraw/zinc/32/87/09/984328709.db2.gz	FNJYGMWXLHZANT-YNEHKIRRSA-N	-1	0	324.377	0.644	20	30		DCEDRM
CCOC(=O)[C@H](F)C1CN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001596534230	984357056	/nfs/dbraw/zinc/35/70/56/984357056.db2.gz	GYNQFVJKNFQOGU-GFCCVEGCSA-N	-1	0	307.281	0.989	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1C[C@H](CNc2ccnc(C(=O)[O-])n2)C1	ZINC001588851108	984382871	/nfs/dbraw/zinc/38/28/71/984382871.db2.gz	UMQRVHSPIPCSPQ-XYPYZODXSA-N	-1	0	320.349	0.106	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCc1nc2cccnc2[nH]1)C(=O)[O-]	ZINC001588853989	984388108	/nfs/dbraw/zinc/38/81/08/984388108.db2.gz	NGZYARDKWRRKKL-NSHDSACASA-N	-1	0	318.333	0.663	20	30		DCEDRM
C=CCOC[C@H](NC(=O)COCc1nnc(C)s1)C(=O)[O-]	ZINC001588854367	984390517	/nfs/dbraw/zinc/39/05/17/984390517.db2.gz	XVGQUWGMMZZRQX-VIFPVBQESA-N	-1	0	315.351	0.135	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C1CCN(C(=O)OC)CC1)C(=O)[O-]	ZINC001588855211	984391536	/nfs/dbraw/zinc/39/15/36/984391536.db2.gz	DBZMTKDFKDHYRG-LLVKDONJSA-N	-1	0	314.338	0.237	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C(=O)OC)oc1C)C(=O)[O-]	ZINC001588859134	984403382	/nfs/dbraw/zinc/40/33/82/984403382.db2.gz	AHAIQCNOUGXSEU-SNVBAGLBSA-N	-1	0	311.290	0.760	20	30		DCEDRM
C=CCOCCCC(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588867121	984430398	/nfs/dbraw/zinc/43/03/98/984430398.db2.gz	ZHQRXTRCVSTKSR-NEPJUHHUSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588878532	984454585	/nfs/dbraw/zinc/45/45/85/984454585.db2.gz	CCOCEPYRHITYDP-NRUUGDAUSA-N	-1	0	316.379	0.140	20	30		DCEDRM
C=CCn1c([C@@H](CC)CO)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588896506	984501840	/nfs/dbraw/zinc/50/18/40/984501840.db2.gz	RPFJCBNHEPQMBW-XHDPSFHLSA-N	-1	0	324.381	0.630	20	30		DCEDRM
C=CCn1c(N2CCO[C@H](CC(=O)[O-])C2)nnc1[C@](C)(O)CC	ZINC001588905126	984535855	/nfs/dbraw/zinc/53/58/55/984535855.db2.gz	QLFNZEGRKYVWLI-IAQYHMDHSA-N	-1	0	324.381	0.762	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588919487	984572313	/nfs/dbraw/zinc/57/23/13/984572313.db2.gz	BEGNROBWEGUAHX-PUYPPJJSSA-N	-1	0	309.322	0.345	20	30		DCEDRM
C=C[C@H](CO)NC(=O)C(=O)Nc1sc(CC)cc1C(=O)[O-]	ZINC001588919757	984573964	/nfs/dbraw/zinc/57/39/64/984573964.db2.gz	LHRHSVGLZHXFNK-SSDOTTSWSA-N	-1	0	312.347	0.610	20	30		DCEDRM
CCCC[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001383212056	984721394	/nfs/dbraw/zinc/72/13/94/984721394.db2.gz	HGZRQKXRRWWGJT-ONGXEEELSA-N	-1	0	321.381	0.988	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C[C@]1(C)C(=O)[O-]	ZINC001599910456	984978316	/nfs/dbraw/zinc/97/83/16/984978316.db2.gz	VTTQJZBNJXRSLC-QCZZGDTMSA-N	-1	0	311.313	0.020	20	30		DCEDRM
CC(=NN[C@H]1CCS(=O)(=O)C1)c1cc(C(=O)[O-])cs1	ZINC001589016897	984999415	/nfs/dbraw/zinc/99/94/15/984999415.db2.gz	NXGBAWUGYWHPSG-VIFPVBQESA-N	-1	0	302.377	0.947	20	30		DCEDRM
C[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599918337	985091674	/nfs/dbraw/zinc/09/16/74/985091674.db2.gz	ABKFUCLMVQRTDV-FZMZJTMJSA-N	-1	0	318.329	0.832	20	30		DCEDRM
C[C@H]1CN(C(=O)NCC2(C#N)CCOCC2)C[C@@H](C(=O)[O-])O1	ZINC001599918657	985097102	/nfs/dbraw/zinc/09/71/02/985097102.db2.gz	BBGMMTBBJMNVEA-QWRGUYRKSA-N	-1	0	311.338	0.190	20	30		DCEDRM
C[C@@H](C#N)C(=O)N(C)CCCN(C)c1ccnc(C(=O)[O-])n1	ZINC001589324103	986153575	/nfs/dbraw/zinc/15/35/75/986153575.db2.gz	VHTICLDMBPCQSK-JTQLQIEISA-N	-1	0	305.338	0.619	20	30		DCEDRM
C[C@H](C#N)C(=O)N(C)[C@@H](CNc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001589324151	986154711	/nfs/dbraw/zinc/15/47/11/986154711.db2.gz	WJSUEKPNKZNEMG-KOLCDFICSA-N	-1	0	317.349	0.405	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC1CCC(Nc2ccnc(C(=O)[O-])n2)CC1	ZINC001589328631	986159018	/nfs/dbraw/zinc/15/90/18/986159018.db2.gz	FGCPFQOMBBHSQI-WHXUTIOJSA-N	-1	0	317.349	0.596	20	30		DCEDRM
C[C@H](C(=O)N[C@H](C(=O)[O-])C1CCCCC1)n1cnc(C#N)n1	ZINC001589374090	986426071	/nfs/dbraw/zinc/42/60/71/986426071.db2.gz	JAOATZKBDWAZLO-SKDRFNHKSA-N	-1	0	305.338	0.860	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC001589558467	987310221	/nfs/dbraw/zinc/31/02/21/987310221.db2.gz	QHUYADXLCRCSEW-LLVKDONJSA-N	-1	0	318.395	0.725	20	30		DCEDRM
CC(C)(C(=O)[O-])c1csc(NC(=O)Cn2cnc(C#N)n2)n1	ZINC001589649849	987594428	/nfs/dbraw/zinc/59/44/28/987594428.db2.gz	XWROZXINAKZLQD-UHFFFAOYSA-N	-1	0	320.334	0.607	20	30		DCEDRM
CCc1ccc(C#CC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001597494441	988036254	/nfs/dbraw/zinc/03/62/54/988036254.db2.gz	AYFCLVMJOURMKK-LSDHHAIUSA-N	-1	0	301.342	0.895	20	30		DCEDRM
CCn1nccc1[C@@H]1OCCC[C@@H]1C=Nn1c(=O)[n-][nH]c1=O	ZINC001552451448	1015442737	/nfs/dbraw/zinc/44/27/37/1015442737.db2.gz	GKAFMMPHOCBPGS-MWLCHTKSSA-N	-1	0	306.326	0.908	20	30		DCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001598199288	990807103	/nfs/dbraw/zinc/80/71/03/990807103.db2.gz	FNLQTKJAERKGHT-CQSZACIVSA-N	-1	0	320.305	0.867	20	30		DCEDRM
CC(C)C#CC(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1	ZINC001590927558	990933259	/nfs/dbraw/zinc/93/32/59/990933259.db2.gz	BANLMUPINNKTPJ-UHFFFAOYSA-N	-1	0	302.334	0.317	20	30		DCEDRM
CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001598364481	991507619	/nfs/dbraw/zinc/50/76/19/991507619.db2.gz	LDXXNOWZYMUYTO-ZDUSSCGKSA-N	-1	0	310.331	0.688	20	30		DCEDRM
CS(=O)(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001599746638	991937304	/nfs/dbraw/zinc/93/73/04/991937304.db2.gz	LQFCWGODDPZIQO-SECBINFHSA-N	-1	0	309.347	0.665	20	30		DCEDRM
CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccnc(C#N)n1	ZINC001598478935	992118376	/nfs/dbraw/zinc/11/83/76/992118376.db2.gz	DJFAURFDZZBXCS-VHSXEESVSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001599762144	992136463	/nfs/dbraw/zinc/13/64/63/992136463.db2.gz	DYLISFQCRZOYGC-JHJVBQTASA-N	-1	0	308.359	0.849	20	30		DCEDRM
CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C1(C#N)CCCC1)C(=O)[O-]	ZINC001599762196	992137519	/nfs/dbraw/zinc/13/75/19/992137519.db2.gz	GICXSDPNYJDERA-TVQRCGJNSA-N	-1	0	314.363	0.074	20	30		DCEDRM
CN(CCCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001598481603	992160536	/nfs/dbraw/zinc/16/05/36/992160536.db2.gz	VLEAZUGTTBOGEG-RYUDHWBXSA-N	-1	0	318.333	0.185	20	30		DCEDRM
CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc(C#N)cc2F)CC1=O	ZINC001598562414	993101846	/nfs/dbraw/zinc/10/18/46/993101846.db2.gz	KDASLMDOPFWQHI-LLVKDONJSA-N	-1	0	305.265	0.065	20	30		DCEDRM
CN1CCC[C@@H]1c1cc(C(=O)N(CC#N)CCC(=O)[O-])n[nH]1	ZINC001598595276	993494944	/nfs/dbraw/zinc/49/49/44/993494944.db2.gz	UELSOYDVTIEAGL-GFCCVEGCSA-N	-1	0	305.338	0.617	20	30		DCEDRM
COc1ccc(F)cc1CS(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001599584910	993600027	/nfs/dbraw/zinc/60/00/27/993600027.db2.gz	XUUNQSTZRKUXOZ-UHFFFAOYSA-N	-1	0	316.310	0.574	20	30		DCEDRM
COc1ccc(NC(=O)CN(CC#N)CCC(=O)[O-])c(OC)c1	ZINC001599591168	993684670	/nfs/dbraw/zinc/68/46/70/993684670.db2.gz	OFMPZWBPFBPBDW-UHFFFAOYSA-N	-1	0	321.333	0.943	20	30		DCEDRM
CS(=O)(=O)[N-]c1nnc(NC(=O)c2coc(C#N)c2)s1	ZINC001464407645	1015905344	/nfs/dbraw/zinc/90/53/44/1015905344.db2.gz	WUPUPAVFVZRDRJ-UHFFFAOYSA-N	-1	0	313.320	0.627	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001464397033	1015906541	/nfs/dbraw/zinc/90/65/41/1015906541.db2.gz	GTYXNOLSLUKXQC-VIFPVBQESA-N	-1	0	301.306	0.498	20	30		DCEDRM
C[C@](O)(CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1CC1	ZINC001593417139	995203248	/nfs/dbraw/zinc/20/32/48/995203248.db2.gz	MKGLCMDLNKMCSK-AWEZNQCLSA-N	-1	0	324.358	0.696	20	30		DCEDRM
C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001593606752	995786422	/nfs/dbraw/zinc/78/64/22/995786422.db2.gz	WJTPKMQQCLTEII-NEPJUHHUSA-N	-1	0	310.350	0.787	20	30		DCEDRM
C=C(C)CCC(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1	ZINC001502570713	1015976130	/nfs/dbraw/zinc/97/61/30/1015976130.db2.gz	PSJXBMCXHYCABQ-HNNXBMFYSA-N	-1	0	323.397	0.310	20	30		DCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001593641380	995951724	/nfs/dbraw/zinc/95/17/24/995951724.db2.gz	IJOMEJWGLTWPHE-SUHUHFCYSA-N	-1	0	318.329	0.762	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2cc(C#N)ccc2F)C[C@@H]1C(=O)[O-]	ZINC001598819353	996307385	/nfs/dbraw/zinc/30/73/85/996307385.db2.gz	UFPNOSNHRPXREF-WDEREUQCSA-N	-1	0	320.276	0.643	20	30		DCEDRM
C[C@@]1(C(=O)N(CC#N)CCC(=O)[O-])Oc2ccccc2NC1=O	ZINC001593743037	996365049	/nfs/dbraw/zinc/36/50/49/996365049.db2.gz	HWRDNEBMGRYXBR-OAHLLOKOSA-N	-1	0	317.301	0.603	20	30		DCEDRM
CC1(C)C[C@H](S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)CO1	ZINC001593864027	996664962	/nfs/dbraw/zinc/66/49/62/996664962.db2.gz	OJUREFLTUIEDGE-JTQLQIEISA-N	-1	0	316.379	0.574	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(C)c(C#N)cn1	ZINC001599190308	997110072	/nfs/dbraw/zinc/11/00/72/997110072.db2.gz	LEBUCDGMIJXYNV-OAHLLOKOSA-N	-1	0	303.318	0.968	20	30		DCEDRM
C[C@H]1C[C@@H](CCNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001466826824	1016115444	/nfs/dbraw/zinc/11/54/44/1016115444.db2.gz	DDUKUZIGKIVICF-QWRGUYRKSA-N	-1	0	320.349	0.142	20	30		DCEDRM
CON=Cc1ccc(C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])cc1	ZINC001599320597	997574436	/nfs/dbraw/zinc/57/44/36/997574436.db2.gz	KXXSVFXWEIUACO-NSHDSACASA-N	-1	0	308.290	0.413	20	30		DCEDRM
C[C@@]1(CS(=O)(=O)N(CC#N)CC(=O)[O-])CC1(Cl)Cl	ZINC001594036186	997624296	/nfs/dbraw/zinc/62/42/96/997624296.db2.gz	DNNCBPQPGBCEPP-QMMMGPOBSA-N	-1	0	315.178	0.810	20	30		DCEDRM
COCCC1(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCN(CC#N)CC1	ZINC001599220302	997654959	/nfs/dbraw/zinc/65/49/59/997654959.db2.gz	XSXDKTJYKCGFBA-RYUDHWBXSA-N	-1	0	309.366	0.218	20	30		DCEDRM
COC(=O)c1cc(CN(CC#N)CC(=O)[O-])cc(C(=O)OC)c1	ZINC001598930200	997734522	/nfs/dbraw/zinc/73/45/22/997734522.db2.gz	ZIBXNZRCHHIJDD-UHFFFAOYSA-N	-1	0	320.301	0.670	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCc2n[nH]c(=O)cc2C1	ZINC001467286054	1016154715	/nfs/dbraw/zinc/15/47/15/1016154715.db2.gz	PGLDHHVVOWQAMI-UHFFFAOYSA-N	-1	0	311.301	0.661	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC001599233744	997909257	/nfs/dbraw/zinc/90/92/57/997909257.db2.gz	YCRNMYFZWGXBNZ-UHFFFAOYSA-N	-1	0	312.347	0.854	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001599350312	998081026	/nfs/dbraw/zinc/08/10/26/998081026.db2.gz	LESANIPZSVCSIC-UHFFFAOYSA-N	-1	0	323.330	0.556	20	30		DCEDRM
CC(C)c1coc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001468219425	1016234463	/nfs/dbraw/zinc/23/44/63/1016234463.db2.gz	NXJVIXFNTBZNNT-UHFFFAOYSA-N	-1	0	303.278	0.571	20	30		DCEDRM
CC[C@](COC)(NC(=O)c1[n-]c(=O)c(C#N)cc1C)C(=O)OC	ZINC001468748945	1016276249	/nfs/dbraw/zinc/27/62/49/1016276249.db2.gz	FWUMAZFNUDJUPR-OAHLLOKOSA-N	-1	0	321.333	0.665	20	30		DCEDRM
CCSC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001418546023	1000334692	/nfs/dbraw/zinc/33/46/92/1000334692.db2.gz	OJIJETYKAAZWMT-UHFFFAOYSA-N	-1	0	308.363	0.222	20	30		DCEDRM
C[C@@]1(C#N)CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1	ZINC001418548169	1000335645	/nfs/dbraw/zinc/33/56/45/1000335645.db2.gz	ZCSOJQCDRUAWLJ-HNNXBMFYSA-N	-1	0	313.317	0.642	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC(c3ncccn3)CC2)c(C#N)c1=O	ZINC001421268799	1003490822	/nfs/dbraw/zinc/49/08/22/1003490822.db2.gz	GQJRITMVWFMVMA-UHFFFAOYSA-N	-1	0	312.333	0.119	20	30		DCEDRM
COc1ccc(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)cc1Cl	ZINC001473047927	1016903533	/nfs/dbraw/zinc/90/35/33/1016903533.db2.gz	NIJGIOQHJFZWQU-UHFFFAOYSA-N	-1	0	319.704	0.953	20	30		DCEDRM
Cc1ccc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001417613087	1005851731	/nfs/dbraw/zinc/85/17/31/1005851731.db2.gz	RVBKQFWHJVAAMC-UHFFFAOYSA-N	-1	0	313.317	0.231	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001417617602	1005852963	/nfs/dbraw/zinc/85/29/63/1005852963.db2.gz	JAQIMQAPRRTJJK-UHFFFAOYSA-N	-1	0	303.278	0.598	20	30		DCEDRM
CCc1nc(C)c(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001417719769	1005875183	/nfs/dbraw/zinc/87/51/83/1005875183.db2.gz	ATYHZNNRELTOGV-UHFFFAOYSA-N	-1	0	319.346	0.787	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@@H](C)CN1CCOCC1	ZINC001417732194	1005878429	/nfs/dbraw/zinc/87/84/29/1005878429.db2.gz	FEHVMQJYALZQSH-LBPRGKRZSA-N	-1	0	318.377	0.760	20	30		DCEDRM
Cc1nnc(N(C)C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001417886900	1005916064	/nfs/dbraw/zinc/91/60/64/1005916064.db2.gz	HRNRHDLMQGUEEQ-UHFFFAOYSA-N	-1	0	320.334	0.034	20	30		DCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1cncc(F)c1	ZINC001417922495	1005926500	/nfs/dbraw/zinc/92/65/00/1005926500.db2.gz	LDJBXUUTEHMGOW-QMMMGPOBSA-N	-1	0	317.280	0.232	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCc2nnnn2CC1	ZINC001418053821	1005985597	/nfs/dbraw/zinc/98/55/97/1005985597.db2.gz	CRQSVBIVJNNDKC-SNVBAGLBSA-N	-1	0	313.321	0.089	20	30		DCEDRM
C#CCO[N-]C(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O	ZINC001453277226	1007372404	/nfs/dbraw/zinc/37/24/04/1007372404.db2.gz	IZBFLOGCXUKGCO-UHFFFAOYSA-N	-1	0	310.313	0.509	20	30		DCEDRM
Cc1cc(C(=O)N=c2nn[n-]n2C)nn1-c1cccc(C#N)c1	ZINC001520130103	1017252053	/nfs/dbraw/zinc/25/20/53/1017252053.db2.gz	AQZBEUUKKJYAKW-UHFFFAOYSA-N	-1	0	308.305	0.250	20	30		DCEDRM
C[C@@H]1CCC[C@@H](CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001433631566	1009023277	/nfs/dbraw/zinc/02/32/77/1009023277.db2.gz	MPZUVUHTDGEWFU-GHMZBOCLSA-N	-1	0	304.350	0.763	20	30		DCEDRM
CCS(=O)(=O)C[C@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001433695570	1009086773	/nfs/dbraw/zinc/08/67/73/1009086773.db2.gz	QAVJQMDYIPBFDY-VIFPVBQESA-N	-1	0	311.363	0.520	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC[C@H]2CCSC2)c(=O)[n-]c1=O	ZINC001454777415	1009311159	/nfs/dbraw/zinc/31/11/59/1009311159.db2.gz	TYSVCQRXKLMIHZ-VIFPVBQESA-N	-1	0	308.363	0.080	20	30		DCEDRM
CC(C)(CC(F)(F)F)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001433921938	1009350576	/nfs/dbraw/zinc/35/05/76/1009350576.db2.gz	JJGWRMZGJQOHTM-UHFFFAOYSA-N	-1	0	318.255	0.668	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(CN2CCOCC2)C1	ZINC001434033312	1009475842	/nfs/dbraw/zinc/47/58/42/1009475842.db2.gz	SFVAKLLDFOQVCK-UHFFFAOYSA-N	-1	0	316.361	0.372	20	30		DCEDRM
C[C@H]1Cc2cnccc2N1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001434258925	1009700985	/nfs/dbraw/zinc/70/09/85/1009700985.db2.gz	RHRVMLPUYUDRLP-VIFPVBQESA-N	-1	0	311.301	0.193	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCOC[C@H]2CCO)cc1C#N	ZINC001434406538	1009912315	/nfs/dbraw/zinc/91/23/15/1009912315.db2.gz	QIKFCXLDDLVBLM-SNVBAGLBSA-N	-1	0	323.374	0.604	20	30		DCEDRM
CCCC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@H](C)C#N	ZINC001443144454	1010172748	/nfs/dbraw/zinc/17/27/48/1010172748.db2.gz	UEYNWFBXDDRUAX-MWLCHTKSSA-N	-1	0	321.381	0.988	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCC2CCOCC2)c(=O)[n-]c1=O	ZINC001444143558	1010879276	/nfs/dbraw/zinc/87/92/76/1010879276.db2.gz	YRRBARGWLUSTAW-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C=Cc3ccccc3)C2)c(=O)[n-]c1=O	ZINC001457202399	1011609871	/nfs/dbraw/zinc/60/98/71/1011609871.db2.gz	QQHXQYIDAIDFAV-VOTSOKGWSA-N	-1	0	322.324	0.917	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2cccc(C[S@@](C)=O)c2)c(C#N)c1=O	ZINC001458183338	1012103261	/nfs/dbraw/zinc/10/32/61/1012103261.db2.gz	OKXJAUXCALGJJL-JOCHJYFZSA-N	-1	0	318.358	0.567	20	30		DCEDRM
CN(C)c1cccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001458324906	1012139692	/nfs/dbraw/zinc/13/96/92/1012139692.db2.gz	RUVFXEOVMMKYLJ-UHFFFAOYSA-N	-1	0	300.322	0.018	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H]2CCOC3(CCC3)C2)c(=O)[n-]c1=O	ZINC001446011720	1012515325	/nfs/dbraw/zinc/51/53/25/1012515325.db2.gz	ZHCZNSXANSJWKC-NSHDSACASA-N	-1	0	318.333	0.038	20	30		DCEDRM
C#CCOCCN(C)C(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC001521012951	1017322979	/nfs/dbraw/zinc/32/29/79/1017322979.db2.gz	PPPMGQHJTPAQTC-UHFFFAOYSA-N	-1	0	310.375	0.780	20	30		DCEDRM
C#Cc1ccc(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1	ZINC001521159114	1017331527	/nfs/dbraw/zinc/33/15/27/1017331527.db2.gz	VXSFUNDFQAXWSI-UHFFFAOYSA-N	-1	0	315.329	0.106	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)N[C@@H]3CC34CCC4)C2)c(=O)[n-]c1=O	ZINC001479224999	1017432993	/nfs/dbraw/zinc/43/29/93/1017432993.db2.gz	SKPRKUBVFGVMRS-LLVKDONJSA-N	-1	0	315.333	0.329	20	30		DCEDRM
C=C(Cl)CN1CCC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001493154544	1019149994	/nfs/dbraw/zinc/14/99/94/1019149994.db2.gz	DHBVFLSAMTUHAI-VIFPVBQESA-N	-1	0	315.761	0.022	20	30		DCEDRM
N#Cc1ccsc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC001608222643	1170618614	/nfs/dbraw/zinc/61/86/14/1170618614.db2.gz	GFNXTYRIQKWYSV-RKDXNWHRSA-N	-1	0	307.331	0.928	20	30		DCEDRM
N#Cc1csc(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)n1	ZINC001608223613	1170619898	/nfs/dbraw/zinc/61/98/98/1170619898.db2.gz	GTOOLABEHNJPCO-UHFFFAOYSA-N	-1	0	324.343	0.586	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)[C@@H]1CCCO1	ZINC001609054343	1170793123	/nfs/dbraw/zinc/79/31/23/1170793123.db2.gz	HMZHBALBDHSHNF-AVGNSLFASA-N	-1	0	310.350	0.034	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N([C@@H](C)C(=O)[O-])C1CCC1	ZINC001610000599	1171135496	/nfs/dbraw/zinc/13/54/96/1171135496.db2.gz	WZYFSVGUYVMXSE-JTQLQIEISA-N	-1	0	303.384	0.794	20	30		DCEDRM
CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccccc2C#N)C1=O	ZINC000298680460	529415051	/nfs/dbraw/zinc/41/50/51/529415051.db2.gz	XJLODJVJLMUBFU-ZDUSSCGKSA-N	-1	0	322.346	0.472	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)CSc1n[n-]c(=S)s1	ZINC000269590742	238259791	/nfs/dbraw/zinc/25/97/91/238259791.db2.gz	MSIFOGLLMMZBDL-VIFPVBQESA-N	-1	0	304.422	0.964	20	30		DCEDRM
COCC[C@H](NS(=O)(=O)c1cccc(C)c1C#N)C(=O)[O-]	ZINC000275093746	212115627	/nfs/dbraw/zinc/11/56/27/212115627.db2.gz	POKWOSSAEFKBRM-NSHDSACASA-N	-1	0	312.347	0.635	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cncc(Cl)c1)C(=O)[O-]	ZINC000274989089	212060627	/nfs/dbraw/zinc/06/06/27/212060627.db2.gz	KOFLEKOAAWLXBU-SNVBAGLBSA-N	-1	0	302.739	0.880	20	30		DCEDRM
C=CC[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1ccccc1	ZINC000193009557	335040460	/nfs/dbraw/zinc/04/04/60/335040460.db2.gz	GAUSTSLRWYTCBZ-CYBMUJFWSA-N	-1	0	324.402	0.928	20	30		DCEDRM
C[C@@H](CO)NS(=O)(=O)c1cc(Br)ccc1C#N	ZINC000340042299	253190408	/nfs/dbraw/zinc/19/04/08/253190408.db2.gz	BMAYLUDEWXLSFY-ZETCQYMHSA-N	-1	0	319.180	0.980	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1	ZINC000347716367	254181614	/nfs/dbraw/zinc/18/16/14/254181614.db2.gz	IBEIFVQOCIMTFG-UHFFFAOYSA-N	-1	0	306.303	0.492	20	30		DCEDRM
CS(=O)(=O)CCOCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000265878299	533360026	/nfs/dbraw/zinc/36/00/26/533360026.db2.gz	BHSUCKHMCXWIKQ-UKTHLTGXSA-N	-1	0	316.335	0.781	20	30		DCEDRM
N#Cc1ccnc(N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1[N+](=O)[O-]	ZINC000285576117	131182539	/nfs/dbraw/zinc/18/25/39/131182539.db2.gz	KEYQVXLECSHKIF-VIFPVBQESA-N	-1	0	315.293	0.657	20	30		DCEDRM
COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1cccnc1C#N	ZINC000234531989	395888465	/nfs/dbraw/zinc/88/84/65/395888465.db2.gz	VNYAPAWUNAVYKN-SNVBAGLBSA-N	-1	0	311.363	0.819	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)[n-]c1C#N	ZINC000273492560	395925144	/nfs/dbraw/zinc/92/51/44/395925144.db2.gz	WZUSYSCLPYZMMZ-SNVBAGLBSA-N	-1	0	324.300	0.968	20	30		DCEDRM
C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)nc1	ZINC000228743841	395872786	/nfs/dbraw/zinc/87/27/86/395872786.db2.gz	WXIFMDPMGMPSIS-OIBJUYFYSA-N	-1	0	313.360	0.490	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1	ZINC000248574769	395990479	/nfs/dbraw/zinc/99/04/79/395990479.db2.gz	UMQPACIVSBCWKU-DCAQKATOSA-N	-1	0	303.322	0.394	20	30		DCEDRM
COc1cc(C#N)ccc1OCCCC(=O)Nc1nn[nH]n1	ZINC000264004067	396248971	/nfs/dbraw/zinc/24/89/71/396248971.db2.gz	IFJUAMUFDABZND-UHFFFAOYSA-N	-1	0	302.294	0.878	20	30		DCEDRM
CSCCN(CC(=O)[O-])S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000594682007	396496559	/nfs/dbraw/zinc/49/65/59/396496559.db2.gz	RPOQJJUTYNWLPO-VIFPVBQESA-N	-1	0	309.413	0.215	20	30		DCEDRM
N#CCN1CCC(CNS(=O)(=O)c2ccccc2[O-])CC1	ZINC000594758580	396507193	/nfs/dbraw/zinc/50/71/93/396507193.db2.gz	HDXZFUIKQVFQNK-UHFFFAOYSA-N	-1	0	309.391	0.906	20	30		DCEDRM
CC[C@@](C)(CNS(=O)(=O)N(CCC#N)CCOC)C(=O)[O-]	ZINC000580895587	396509487	/nfs/dbraw/zinc/50/94/87/396509487.db2.gz	LJEREANWFJGLEY-LBPRGKRZSA-N	-1	0	321.399	0.184	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000290631008	396468126	/nfs/dbraw/zinc/46/81/26/396468126.db2.gz	LFQAYUGRVJLILN-CYBMUJFWSA-N	-1	0	309.347	0.971	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1)C(=O)[O-]	ZINC000594529477	396484541	/nfs/dbraw/zinc/48/45/41/396484541.db2.gz	JMGSFOQUVFOWNX-YPMHNXCESA-N	-1	0	317.345	0.985	20	30		DCEDRM
COC(=O)c1ccc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(C#N)n1	ZINC000595972294	396700767	/nfs/dbraw/zinc/70/07/67/396700767.db2.gz	LCZYGVVQWKFHGL-RFAUZJTJSA-N	-1	0	317.301	0.277	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])n1	ZINC000596003614	396707436	/nfs/dbraw/zinc/70/74/36/396707436.db2.gz	TUTZEWWJVMDQNH-CQSZACIVSA-N	-1	0	311.301	0.360	20	30		DCEDRM
CC1(C)CN(S(=O)(=O)c2cccc(C#N)c2)[C@@H](C(=O)[O-])CO1	ZINC000563515035	396744878	/nfs/dbraw/zinc/74/48/78/396744878.db2.gz	ZQIDGRSIMXZESU-GFCCVEGCSA-N	-1	0	324.358	0.811	20	30		DCEDRM
CCc1nnc(CNS(=O)(=O)c2ccc(C#N)cc2F)[nH]1	ZINC000590758011	396834344	/nfs/dbraw/zinc/83/43/44/396834344.db2.gz	GJUGHSPATMANGW-UHFFFAOYSA-N	-1	0	309.326	0.856	20	30		DCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)c(C)c1	ZINC000618072116	396897692	/nfs/dbraw/zinc/89/76/92/396897692.db2.gz	MJWCAXNFGNWHNK-LBPRGKRZSA-N	-1	0	312.347	0.587	20	30		DCEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(-c2nnnn2C)cc1	ZINC000600661554	396908533	/nfs/dbraw/zinc/90/85/33/396908533.db2.gz	WKIKPADZGAXTHC-NSHDSACASA-N	-1	0	306.351	0.921	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cc1Cl	ZINC000591457856	396923693	/nfs/dbraw/zinc/92/36/93/396923693.db2.gz	DCUPITHQOWDQES-UHFFFAOYSA-N	-1	0	323.736	0.809	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C#N	ZINC000591564518	396928885	/nfs/dbraw/zinc/92/88/85/396928885.db2.gz	VSWZYCKDYNIWCJ-GFCCVEGCSA-N	-1	0	317.301	0.117	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CC[C@@H]1C(=O)[O-]	ZINC000600800152	396943978	/nfs/dbraw/zinc/94/39/78/396943978.db2.gz	ILCPDVQFVRQTOL-WQGACYEGSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CC1(n2cnnn2)CCOCC1)C(=O)[O-]	ZINC000630322869	396984970	/nfs/dbraw/zinc/98/49/70/396984970.db2.gz	XHSLGVVDKSETHA-NSHDSACASA-N	-1	0	323.353	0.105	20	30		DCEDRM
COCCN(CCC#N)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000592425458	397172689	/nfs/dbraw/zinc/17/26/89/397172689.db2.gz	CYAARSQVNFECSD-UHFFFAOYSA-N	-1	0	319.317	0.712	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C[C@H]1C(=O)[O-]	ZINC000592427907	397173741	/nfs/dbraw/zinc/17/37/41/397173741.db2.gz	XCFLWPKXOWRNBQ-RULNRJAQSA-N	-1	0	311.313	0.020	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000364471234	397207947	/nfs/dbraw/zinc/20/79/47/397207947.db2.gz	YSGUDCCUOYVJHU-LLVKDONJSA-N	-1	0	302.269	0.424	20	30		DCEDRM
C[C@@H]1C[C@H](C)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602026932	397286277	/nfs/dbraw/zinc/28/62/77/397286277.db2.gz	PTCXZWUGBDQJGD-PHIMTYICSA-N	-1	0	304.350	0.715	20	30		DCEDRM
CC[C@@H]1C[C@H](C)CN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602103302	397300655	/nfs/dbraw/zinc/30/06/55/397300655.db2.gz	AXFVKJDCCJGHDO-CMPLNLGQSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CC1(c2ccccc2)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602191671	397339365	/nfs/dbraw/zinc/33/93/65/397339365.db2.gz	ZJVUKZISTIGSJS-UHFFFAOYSA-N	-1	0	324.340	0.621	20	30		DCEDRM
N#Cc1cnccc1N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC000593327975	397352364	/nfs/dbraw/zinc/35/23/64/397352364.db2.gz	ONURZKWIFOARKR-LLVKDONJSA-N	-1	0	314.345	0.855	20	30		DCEDRM
C[C@](CNC(=O)N1CCO[C@@H](C#N)C1)(C(=O)[O-])c1ccccc1	ZINC000593699659	397428756	/nfs/dbraw/zinc/42/87/56/397428756.db2.gz	DIQMLKJNJRYMTQ-XJKSGUPXSA-N	-1	0	317.345	0.963	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c(Cl)cnn1CC)C(=O)[O-]	ZINC000621538026	397395672	/nfs/dbraw/zinc/39/56/72/397395672.db2.gz	DJBLEQYSYNRYLN-SECBINFHSA-N	-1	0	301.730	0.942	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(C)C	ZINC000490985998	397499292	/nfs/dbraw/zinc/49/92/92/397499292.db2.gz	PGSOEQVLPKVIID-VIFPVBQESA-N	-1	0	300.340	0.747	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)[N-]OCC(N)=O	ZINC000496114462	397573683	/nfs/dbraw/zinc/57/36/83/397573683.db2.gz	KBQLLSSSMJNVBC-SECBINFHSA-N	-1	0	314.342	0.107	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@](F)(C#N)C2)cn1	ZINC000599804331	397528999	/nfs/dbraw/zinc/52/89/99/397528999.db2.gz	RPQIJDQLAUVHNT-LBPRGKRZSA-N	-1	0	312.326	0.531	20	30		DCEDRM
COc1cccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC000603918664	397628718	/nfs/dbraw/zinc/62/87/18/397628718.db2.gz	DZIKOBKHQDOALQ-UHFFFAOYSA-N	-1	0	314.301	0.259	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c(F)c1	ZINC000610057829	397800992	/nfs/dbraw/zinc/80/09/92/397800992.db2.gz	XDOYRTJDCBYROD-UHFFFAOYSA-N	-1	0	323.309	0.180	20	30		DCEDRM
Cn1nccc1/C=C\C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000255640134	287126116	/nfs/dbraw/zinc/12/61/16/287126116.db2.gz	SWMVXRMVHRNSRP-DAXSKMNVSA-N	-1	0	316.342	0.810	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000274931401	415364720	/nfs/dbraw/zinc/36/47/20/415364720.db2.gz	CKJRSHDZCNEGTH-NSHDSACASA-N	-1	0	311.319	0.054	20	30		DCEDRM
CC[C@](C)(C#N)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000285198105	415611949	/nfs/dbraw/zinc/61/19/49/415611949.db2.gz	UUIUQIVSFACBMM-SECBINFHSA-N	-1	0	303.369	0.788	20	30		DCEDRM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccncc1C#N	ZINC000344375002	415900128	/nfs/dbraw/zinc/90/01/28/415900128.db2.gz	PFIBTHCQUNKAKX-UHFFFAOYSA-N	-1	0	322.328	0.922	20	30		DCEDRM
CC(C)[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(N)=O	ZINC000125252582	415862627	/nfs/dbraw/zinc/86/26/27/415862627.db2.gz	IKFKHQDIBOEUJZ-SNVBAGLBSA-N	-1	0	317.317	0.625	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C	ZINC000297026900	415947719	/nfs/dbraw/zinc/94/77/19/415947719.db2.gz	HEXRLGQGFKVARU-WDEREUQCSA-N	-1	0	300.355	0.986	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)Cc2ccc(C#N)cc2)n[n-]1	ZINC000338118487	416046618	/nfs/dbraw/zinc/04/66/18/416046618.db2.gz	LSWIBKCXORZBKC-UHFFFAOYSA-N	-1	0	305.319	0.261	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)c1	ZINC000357014226	416020791	/nfs/dbraw/zinc/02/07/91/416020791.db2.gz	AVDNFDBGIJXCPK-UHFFFAOYSA-N	-1	0	316.342	0.782	20	30		DCEDRM
CC#CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccs1	ZINC000341098981	416203090	/nfs/dbraw/zinc/20/30/90/416203090.db2.gz	YPVHGGRMLQESPB-JTQLQIEISA-N	-1	0	300.405	0.897	20	30		DCEDRM
O=C1CN(C([O-])=Nc2cccn(CC(F)(F)F)c2=O)CCN1	ZINC000330934297	416248507	/nfs/dbraw/zinc/24/85/07/416248507.db2.gz	HZAONCFCOCLFIY-UHFFFAOYSA-N	-1	0	318.255	0.388	20	30		DCEDRM
COC(=O)Cc1nnc([N-]S(=O)(=O)c2cccc(C#N)c2)[nH]1	ZINC000358929431	416295124	/nfs/dbraw/zinc/29/51/24/416295124.db2.gz	DIYNQCFDWOZSJC-UHFFFAOYSA-N	-1	0	321.318	0.193	20	30		DCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(C)c(C#N)cn1	ZINC000582252023	416449546	/nfs/dbraw/zinc/44/95/46/416449546.db2.gz	ROBUFNNUYXTPLV-UHFFFAOYSA-N	-1	0	305.363	1.413	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC(C)(C)C#N)C1	ZINC000422949294	416450118	/nfs/dbraw/zinc/45/01/18/416450118.db2.gz	UURSAHKBQXPYLK-MNOVXSKESA-N	-1	0	309.366	0.564	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)C(F)F)c(F)c1	ZINC000435642998	416530858	/nfs/dbraw/zinc/53/08/58/416530858.db2.gz	ZAEXVQPALGPJKY-MRVPVSSYSA-N	-1	0	312.244	0.741	20	30		DCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(C)n1	ZINC000490605585	416569023	/nfs/dbraw/zinc/56/90/23/416569023.db2.gz	RELQQAVBONOIIG-UHFFFAOYSA-N	-1	0	318.358	0.882	20	30		DCEDRM
CC(C)C[C@H](CNC(=O)NCCn1cnc(C#N)n1)C(=O)[O-]	ZINC000424446026	416646235	/nfs/dbraw/zinc/64/62/35/416646235.db2.gz	FWJPUCQJWWNUFP-SNVBAGLBSA-N	-1	0	308.342	0.196	20	30		DCEDRM
COCCn1cc(S(=O)(=O)[N-]c2ncc(C#N)s2)cn1	ZINC000610968491	416661685	/nfs/dbraw/zinc/66/16/85/416661685.db2.gz	TZHDWNJKKWRXIV-UHFFFAOYSA-N	-1	0	313.364	0.658	20	30		DCEDRM
COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(C#N)c(O)c1	ZINC000442673758	416704683	/nfs/dbraw/zinc/70/46/83/416704683.db2.gz	VVEUQERSMPLCCV-LBPRGKRZSA-N	-1	0	314.301	0.501	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cc1C(N)=O	ZINC000443421484	416757563	/nfs/dbraw/zinc/75/75/63/416757563.db2.gz	YELZYSAJPDSPAI-UHFFFAOYSA-N	-1	0	319.346	0.500	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCN(C)C(=O)[C@H]2C)cc1C#N	ZINC000428571493	416907391	/nfs/dbraw/zinc/90/73/91/416907391.db2.gz	FOQVFSTUHYLCGV-MRVPVSSYSA-N	-1	0	320.374	0.683	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000519694684	416927456	/nfs/dbraw/zinc/92/74/56/416927456.db2.gz	XLVYHOXRCCUQOZ-STQMWFEESA-N	-1	0	323.374	0.979	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cccc2c1OCC2)C(=O)[O-]	ZINC000521992200	417038344	/nfs/dbraw/zinc/03/83/44/417038344.db2.gz	ZIKLWDMOEAEFDV-LLVKDONJSA-N	-1	0	309.343	0.766	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000566226606	417044112	/nfs/dbraw/zinc/04/41/12/417044112.db2.gz	JPOLABSQHPQIEO-UHFFFAOYSA-N	-1	0	306.318	0.984	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N[C@@H](C)CCCC(=O)[O-]	ZINC000567617718	417065447	/nfs/dbraw/zinc/06/54/47/417065447.db2.gz	RSGSCPWRVPVKJM-NSHDSACASA-N	-1	0	321.399	0.326	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000643166772	417156398	/nfs/dbraw/zinc/15/63/98/417156398.db2.gz	DANHKGMUWYYWRG-LBPRGKRZSA-N	-1	0	312.366	0.409	20	30		DCEDRM
C=CCCCCCN(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000643460354	417215529	/nfs/dbraw/zinc/21/55/29/417215529.db2.gz	VIUWIKUNLSRHMR-LBPRGKRZSA-N	-1	0	312.366	0.503	20	30		DCEDRM
CC1(C)C[C@@H]1NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000528009689	417292533	/nfs/dbraw/zinc/29/25/33/417292533.db2.gz	BXWNWLVSFORRLC-JTQLQIEISA-N	-1	0	303.322	0.185	20	30		DCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N2CC[C@](COC)(C(=O)[O-])C2)C1	ZINC000633069278	417340034	/nfs/dbraw/zinc/34/00/34/417340034.db2.gz	KPFGDFJMACLMGV-LRDDRELGSA-N	-1	0	324.377	0.361	20	30		DCEDRM
CN(CCCC(=O)[O-])C(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000570843442	417398933	/nfs/dbraw/zinc/39/89/33/417398933.db2.gz	NGFWMYCUELRZJX-UHFFFAOYSA-N	-1	0	317.345	0.692	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1	ZINC000571926841	417454716	/nfs/dbraw/zinc/45/47/16/417454716.db2.gz	HAASTDFOOVBYJQ-OLZOCXBDSA-N	-1	0	313.375	0.539	20	30		DCEDRM
CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000573005588	417465102	/nfs/dbraw/zinc/46/51/02/417465102.db2.gz	UOTFBTMCTMDNMI-GARJFASQSA-N	-1	0	305.400	0.754	20	30		DCEDRM
C=CCc1ccccc1OC[C@H](O)CN1CCO[C@H](C(=O)[O-])C1	ZINC000574213439	417482427	/nfs/dbraw/zinc/48/24/27/417482427.db2.gz	SPULLPVQTOTOLX-ZBFHGGJFSA-N	-1	0	321.373	0.940	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)CC(=O)[O-]	ZINC000530435609	417575856	/nfs/dbraw/zinc/57/58/56/417575856.db2.gz	BGGVVJYYGVZLMO-JTQLQIEISA-N	-1	0	316.310	0.465	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCC(=O)NC1CCCC1)C(=O)[O-]	ZINC000455904094	417619550	/nfs/dbraw/zinc/61/95/50/417619550.db2.gz	MIYMYOZSHSMTSG-GFCCVEGCSA-N	-1	0	312.366	0.597	20	30		DCEDRM
C=CCC[C@@H](NC(=O)C1(n2cnnn2)CCCCC1)C(=O)[O-]	ZINC000652069988	417841390	/nfs/dbraw/zinc/84/13/90/417841390.db2.gz	DOMPSYFXMFRZFK-LLVKDONJSA-N	-1	0	307.354	0.868	20	30		DCEDRM
C=CCNC(=O)c1ccc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)nc1	ZINC000662896816	417940958	/nfs/dbraw/zinc/94/09/58/417940958.db2.gz	PTXUJOXZWWIYOI-IJLUTSLNSA-N	-1	0	305.334	0.633	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)N=c1nc2nc(C)cc(C)n2[n-]1	ZINC000647680738	418040320	/nfs/dbraw/zinc/04/03/20/418040320.db2.gz	OCVXBWHPLVNNEL-NSHDSACASA-N	-1	0	302.338	0.059	20	30		DCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N1CCC(OC)CC1	ZINC000656517723	418359729	/nfs/dbraw/zinc/35/97/29/418359729.db2.gz	PXYFBDNJSZBDTN-JTQLQIEISA-N	-1	0	306.384	0.351	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1C(N)=O	ZINC000180735879	261114148	/nfs/dbraw/zinc/11/41/48/261114148.db2.gz	AIEHLIFOPUEQRH-UHFFFAOYSA-N	-1	0	322.321	0.936	20	30		DCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000438222179	267260160	/nfs/dbraw/zinc/26/01/60/267260160.db2.gz	AOHYJAJTNADETJ-UHFFFAOYSA-N	-1	0	324.318	0.955	20	30		DCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C(=O)OC)o1	ZINC000438238512	267262277	/nfs/dbraw/zinc/26/22/77/267262277.db2.gz	KJNVSNVGYUYEEQ-UHFFFAOYSA-N	-1	0	324.318	0.955	20	30		DCEDRM
N#Cc1cccc(/C=C\C(=O)[N-]S(=O)(=O)N2CCOCC2)c1	ZINC000492056992	268269783	/nfs/dbraw/zinc/26/97/83/268269783.db2.gz	JKNKOJBNWUXXDL-PLNGDYQASA-N	-1	0	321.358	0.265	20	30		DCEDRM
C[C@@H](CN(C)C(=O)c1ncc(C#N)cc1Cl)c1nnn[n-]1	ZINC000548138417	288115721	/nfs/dbraw/zinc/11/57/21/288115721.db2.gz	LLPXFRAJTHYUFB-ZETCQYMHSA-N	-1	0	305.729	0.995	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)c1	ZINC000548593964	288158387	/nfs/dbraw/zinc/15/83/87/288158387.db2.gz	VVEGCWMQCUUXHX-GFCCVEGCSA-N	-1	0	312.322	0.980	20	30		DCEDRM
N#Cc1ccncc1N1CCN(c2cnc(C(=O)[O-])cn2)CC1	ZINC000565939511	288888846	/nfs/dbraw/zinc/88/88/46/288888846.db2.gz	ARMIYTJTUJVYJB-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000273728264	303170535	/nfs/dbraw/zinc/17/05/35/303170535.db2.gz	NEALFGVJASSPMS-VIFPVBQESA-N	-1	0	314.294	0.437	20	30		DCEDRM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2nnc[nH]2)c1	ZINC000105564557	332958379	/nfs/dbraw/zinc/95/83/79/332958379.db2.gz	JTVIWDVIBRGTQA-UHFFFAOYSA-N	-1	0	307.335	0.521	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2c(C#N)cnn2C)c1	ZINC000580271108	333047499	/nfs/dbraw/zinc/04/74/99/333047499.db2.gz	IXYXDYAFGBYGFQ-UHFFFAOYSA-N	-1	0	321.318	0.274	20	30		DCEDRM
COCCn1cc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cn1	ZINC000533038463	337807575	/nfs/dbraw/zinc/80/75/75/337807575.db2.gz	KQDWDOVMKCCHMS-UHFFFAOYSA-N	-1	0	321.362	0.791	20	30		DCEDRM
C=CCC(CC=C)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424240927	337812145	/nfs/dbraw/zinc/81/21/45/337812145.db2.gz	KSNNAXIKEBHMAO-LLVKDONJSA-N	-1	0	301.364	0.465	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](CC)NC(=O)OC(C)(C)C	ZINC000496911128	340015929	/nfs/dbraw/zinc/01/59/29/340015929.db2.gz	VTSGEIZOROYQTC-SNVBAGLBSA-N	-1	0	318.395	0.759	20	30		DCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000515304327	337985170	/nfs/dbraw/zinc/98/51/70/337985170.db2.gz	VYUJCAVKOUTFAG-ZETCQYMHSA-N	-1	0	313.291	0.731	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC	ZINC000436992020	338296941	/nfs/dbraw/zinc/29/69/41/338296941.db2.gz	SPEUANAFIFPPIS-LLVKDONJSA-N	-1	0	324.289	0.774	20	30		DCEDRM
C#CCN(C(=O)c1c([O-])cccc1F)[C@H]1CCS(=O)(=O)C1	ZINC000491020467	339846147	/nfs/dbraw/zinc/84/61/47/339846147.db2.gz	GXCSRMIJHCGVTQ-JTQLQIEISA-N	-1	0	311.334	0.794	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C	ZINC000496640130	340009515	/nfs/dbraw/zinc/00/95/15/340009515.db2.gz	LQMRPFQAEVGJEQ-UHFFFAOYSA-N	-1	0	322.383	0.160	20	30		DCEDRM
C[C@H](C#N)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000521699916	340529440	/nfs/dbraw/zinc/52/94/40/340529440.db2.gz	XRCURXQEZJSNML-MRVPVSSYSA-N	-1	0	317.317	0.519	20	30		DCEDRM
Cc1oc(CNS(=O)(=O)N(C)CCC#N)cc1C(=O)[O-]	ZINC000541000214	340955349	/nfs/dbraw/zinc/95/53/49/340955349.db2.gz	UYUSSBFPGWTJEZ-UHFFFAOYSA-N	-1	0	301.324	0.466	20	30		DCEDRM
COC[C@@](C)(O)CNS(=O)(=O)CC1(C#N)CCCCC1	ZINC000548447525	341261245	/nfs/dbraw/zinc/26/12/45/341261245.db2.gz	AZYWYGBFBILUIW-LBPRGKRZSA-N	-1	0	304.412	0.777	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000567867164	341637759	/nfs/dbraw/zinc/63/77/59/341637759.db2.gz	HXBAYJXGXVXTHF-LBPRGKRZSA-N	-1	0	306.318	0.767	20	30		DCEDRM
CCOc1ccccc1OCCn1c(=O)[n-]cc(C#N)c1=O	ZINC000575922101	341814703	/nfs/dbraw/zinc/81/47/03/341814703.db2.gz	FHZGANZLPHDHPH-UHFFFAOYSA-N	-1	0	301.302	0.886	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001603576115	1159785368	/nfs/dbraw/zinc/78/53/68/1159785368.db2.gz	ZMBQHRMMZQVXEC-VHSXEESVSA-N	-1	0	304.368	0.023	20	30		DCEDRM
COCC(C)(C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001606779874	1159798184	/nfs/dbraw/zinc/79/81/84/1159798184.db2.gz	QABPPZMXVSBOMV-UHFFFAOYSA-N	-1	0	312.347	0.960	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424386210	535775197	/nfs/dbraw/zinc/77/51/97/535775197.db2.gz	DRFZUVUJRCJIJN-SNVBAGLBSA-N	-1	0	305.400	0.803	20	30		DCEDRM
C=CC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424393512	534508396	/nfs/dbraw/zinc/50/83/96/534508396.db2.gz	AKKKIQZJVLVKBS-SECBINFHSA-N	-1	0	304.368	0.092	20	30		DCEDRM
C[C@@H](CN(C)C(=O)COc1ccc(C#N)cc1)c1nnn[n-]1	ZINC000124630252	524561325	/nfs/dbraw/zinc/56/13/25/524561325.db2.gz	ZZFRIAUBMHIZLT-JTQLQIEISA-N	-1	0	300.322	0.712	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263040698	526791697	/nfs/dbraw/zinc/79/16/97/526791697.db2.gz	PFCAKTOBGPRFAI-SNVBAGLBSA-N	-1	0	324.289	0.989	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000263180685	526804774	/nfs/dbraw/zinc/80/47/74/526804774.db2.gz	ZMVAUKCSOGRMHR-NSHDSACASA-N	-1	0	307.302	0.730	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000281290377	527396591	/nfs/dbraw/zinc/39/65/91/527396591.db2.gz	FIXCIEGHBBMAIR-NEPJUHHUSA-N	-1	0	314.382	0.699	20	30		DCEDRM
CC(C)(C#N)CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000279303588	527460921	/nfs/dbraw/zinc/46/09/21/527460921.db2.gz	ZSLHYGCSKFOYCW-UHFFFAOYSA-N	-1	0	303.369	0.788	20	30		DCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@H](C#N)C1	ZINC000183719120	529079712	/nfs/dbraw/zinc/07/97/12/529079712.db2.gz	NZLVOJGGXRTRSN-BDAKNGLRSA-N	-1	0	307.272	0.440	20	30		DCEDRM
N#CCCSc1ccccc1NC(=O)C(=O)NCC(=O)[O-]	ZINC000740309179	597045283	/nfs/dbraw/zinc/04/52/83/597045283.db2.gz	WVOQHRPEOHRKGO-UHFFFAOYSA-N	-1	0	307.331	0.832	20	30		DCEDRM
N#Cc1nc(NC(=O)CC2CCOCC2)[n-]c1-c1nn[nH]n1	ZINC000737706369	599240781	/nfs/dbraw/zinc/24/07/81/599240781.db2.gz	XBQMVQHBKDIJNZ-UHFFFAOYSA-N	-1	0	302.298	0.217	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)Nc1ccc(O)cc1	ZINC000819865863	597612969	/nfs/dbraw/zinc/61/29/69/597612969.db2.gz	OZXPTJQIEKYVPL-AWEZNQCLSA-N	-1	0	306.274	0.878	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820161870	597617305	/nfs/dbraw/zinc/61/73/05/597617305.db2.gz	UAXSMUFOCMUUFG-LKTVYLICSA-N	-1	0	323.349	0.977	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](N2CCCC2=O)C1	ZINC000819811191	597646362	/nfs/dbraw/zinc/64/63/62/597646362.db2.gz	LMGZKDGLMCMOMR-ABAIWWIYSA-N	-1	0	307.350	0.604	20	30		DCEDRM
CC[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCN1CCOC	ZINC000820297091	597648856	/nfs/dbraw/zinc/64/88/56/597648856.db2.gz	LXUCABJZRBXUJC-WFASDCNBSA-N	-1	0	311.382	0.560	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cccc(OCC(N)=O)c1	ZINC000819842766	597651378	/nfs/dbraw/zinc/65/13/78/597651378.db2.gz	SKAVKBDTVIWQLN-OAHLLOKOSA-N	-1	0	319.317	0.171	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1ccc(CC#N)cc1)[C@H](C)C(=O)[O-]	ZINC000819757895	597688379	/nfs/dbraw/zinc/68/83/79/597688379.db2.gz	BSSHNQUUOXAVBO-LLVKDONJSA-N	-1	0	317.345	0.804	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-n2cnnn2)cc1	ZINC000819848153	598222007	/nfs/dbraw/zinc/22/20/07/598222007.db2.gz	QXLYKUMWSWBRND-CYBMUJFWSA-N	-1	0	300.278	0.605	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CS(=O)(=O)c2ccccc21	ZINC000819834464	598227877	/nfs/dbraw/zinc/22/78/77/598227877.db2.gz	NTBGOTBEAVSWAR-QMTHXVAHSA-N	-1	0	322.342	0.636	20	30		DCEDRM
N#Cc1nc(NC(=O)CCCc2ccccn2)[n-]c1-c1nn[nH]n1	ZINC000737703957	598258882	/nfs/dbraw/zinc/25/88/82/598258882.db2.gz	CQPDRXIGMGMRCV-UHFFFAOYSA-N	-1	0	323.320	0.818	20	30		DCEDRM
C=CCN(CC=C)C(=O)Cn1cccc(-c2nnn[n-]2)c1=O	ZINC000735419652	598676547	/nfs/dbraw/zinc/67/65/47/598676547.db2.gz	YPIWSXWYCGYHNV-UHFFFAOYSA-N	-1	0	300.322	0.229	20	30		DCEDRM
CC(=O)c1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cc1	ZINC000735495161	598718423	/nfs/dbraw/zinc/71/84/23/598718423.db2.gz	BUCINPKCYBRHRW-UHFFFAOYSA-N	-1	0	322.288	0.916	20	30		DCEDRM
C#CCN(Cc1cc(C(=O)[O-])oc1C)[C@H]1CCS(=O)(=O)C1	ZINC000736080435	599928066	/nfs/dbraw/zinc/92/80/66/599928066.db2.gz	WCPGYHQRYQZKMK-LBPRGKRZSA-N	-1	0	311.359	0.909	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CCN1CCO[C@@H](C(=O)[O-])C1	ZINC000043704084	599977296	/nfs/dbraw/zinc/97/72/96/599977296.db2.gz	IFZXUVCBSPZRKZ-SNVBAGLBSA-N	-1	0	309.347	0.734	20	30		DCEDRM
N#CCCN(C(=O)CN1CCO[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC000738428435	599977657	/nfs/dbraw/zinc/97/76/57/599977657.db2.gz	NUYLJDNHBYGZLG-CQSZACIVSA-N	-1	0	317.345	0.719	20	30		DCEDRM
N#C[C@H]1CN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CCO1	ZINC000316065406	599994748	/nfs/dbraw/zinc/99/47/48/599994748.db2.gz	HMCGPKPZYZRJTA-LBPRGKRZSA-N	-1	0	305.290	0.906	20	30		DCEDRM
N#CCN(C(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccccc1	ZINC000739075388	600172059	/nfs/dbraw/zinc/17/20/59/600172059.db2.gz	FCAVITBKVAXKES-RYUDHWBXSA-N	-1	0	302.286	0.807	20	30		DCEDRM
C#CCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC000736077196	600240473	/nfs/dbraw/zinc/24/04/73/600240473.db2.gz	OMSAPDSHUMUGQG-GFCCVEGCSA-N	-1	0	302.286	0.005	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)CSc1ccc(C#N)cc1	ZINC000737563285	600241959	/nfs/dbraw/zinc/24/19/59/600241959.db2.gz	CWHAKANOEURYFS-LLVKDONJSA-N	-1	0	322.342	0.783	20	30		DCEDRM
C=CC[C@@H](C)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC000736096473	600271951	/nfs/dbraw/zinc/27/19/51/600271951.db2.gz	NKNAMXHXXXSCGI-ZWNOBZJWSA-N	-1	0	318.329	0.946	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000737412506	600313827	/nfs/dbraw/zinc/31/38/27/600313827.db2.gz	PXOULENFEAXRLT-SNVBAGLBSA-N	-1	0	301.368	0.263	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCO1	ZINC000739066555	600322192	/nfs/dbraw/zinc/32/21/92/600322192.db2.gz	OTNVMSVBVPNAGT-VIFPVBQESA-N	-1	0	321.264	0.213	20	30		DCEDRM
CCN(CCC(=O)[O-])C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000737095066	600389133	/nfs/dbraw/zinc/38/91/33/600389133.db2.gz	PDVGJDGJEZZOKY-YPKPFQOOSA-N	-1	0	309.322	0.226	20	30		DCEDRM
CC(=O)N(CCC(=O)N(CC#N)CC(=O)[O-])Cc1ccccc1	ZINC000736124426	600402396	/nfs/dbraw/zinc/40/23/96/600402396.db2.gz	VQOQIZSGEZOMSK-UHFFFAOYSA-N	-1	0	317.345	0.862	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1csc(-c2cnccn2)n1	ZINC000739087149	600403702	/nfs/dbraw/zinc/40/37/02/600403702.db2.gz	WMDIPIACYYNBIH-UHFFFAOYSA-N	-1	0	303.303	0.650	20	30		DCEDRM
COc1cc(CC(=O)N(CC#N)CC(=O)[O-])cc(OC)c1OC	ZINC000737883744	600405225	/nfs/dbraw/zinc/40/52/25/600405225.db2.gz	PSQPWKXXKNGHEC-UHFFFAOYSA-N	-1	0	322.317	0.692	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CSc1nnnn1C1CCCC1	ZINC000739079460	600409049	/nfs/dbraw/zinc/40/90/49/600409049.db2.gz	XLCBOBOLXQXFKG-UHFFFAOYSA-N	-1	0	324.366	0.317	20	30		DCEDRM
CS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000738156915	600562907	/nfs/dbraw/zinc/56/29/07/600562907.db2.gz	FIEPOUFSQPAYGT-ZDUSSCGKSA-N	-1	0	323.374	0.261	20	30		DCEDRM
Cn1cc(C(=O)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cn1	ZINC000739027679	600616066	/nfs/dbraw/zinc/61/60/66/600616066.db2.gz	VILFUVBCAKHNPB-CYBMUJFWSA-N	-1	0	313.269	0.844	20	30		DCEDRM
CC[C@@H](C)[C@H](NC(=O)COC(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000736889357	600649180	/nfs/dbraw/zinc/64/91/80/600649180.db2.gz	XGZIPZSQAUBRTE-RNCFNFMXSA-N	-1	0	319.317	0.726	20	30		DCEDRM
Cc1c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)nnn1C	ZINC000832854448	600689163	/nfs/dbraw/zinc/68/91/63/600689163.db2.gz	YDOXXGDTVYTFFB-GFCCVEGCSA-N	-1	0	300.274	0.978	20	30		DCEDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC000738747192	600764434	/nfs/dbraw/zinc/76/44/34/600764434.db2.gz	OQHFDFZZRIZSID-UHFFFAOYSA-N	-1	0	313.291	0.502	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cnn(-c2ccccc2)c1	ZINC000739086768	600764763	/nfs/dbraw/zinc/76/47/63/600764763.db2.gz	RSJDBNVJIIRLNA-UHFFFAOYSA-N	-1	0	320.330	0.471	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C(=O)Nc2sccc2C(=O)[O-])CCO1	ZINC000833062247	600889826	/nfs/dbraw/zinc/88/98/26/600889826.db2.gz	KCZXMXMYJWHQBO-ZETCQYMHSA-N	-1	0	309.303	0.136	20	30		DCEDRM
C[C@H](C(=O)N(CC#N)CC(=O)[O-])n1nnc(-c2ccccc2)n1	ZINC000825971665	600891134	/nfs/dbraw/zinc/89/11/34/600891134.db2.gz	CMSHRXBPUGKDEF-SNVBAGLBSA-N	-1	0	314.305	0.338	20	30		DCEDRM
C=CCn1c(C)cc(C(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c1C	ZINC000825705587	601226046	/nfs/dbraw/zinc/22/60/46/601226046.db2.gz	NUNIYWCFGVBXDF-OCCSQVGLSA-N	-1	0	306.362	0.993	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)N1CCC[C@@H](C(F)(F)F)C1	ZINC000833066399	601226932	/nfs/dbraw/zinc/22/69/32/601226932.db2.gz	XTESBZMXISZWOR-SECBINFHSA-N	-1	0	307.272	0.697	20	30		DCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)COc1ccc2c(c1)OCO2	ZINC000833066579	601226959	/nfs/dbraw/zinc/22/69/59/601226959.db2.gz	CZJIRQIHUJCSOF-SNVBAGLBSA-N	-1	0	308.290	0.065	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000833040390	601268393	/nfs/dbraw/zinc/26/83/93/601268393.db2.gz	FDJKBVOIVFGMJC-LBPRGKRZSA-N	-1	0	305.334	0.993	20	30		DCEDRM
C[C@H](CS(=O)(=O)N(CCC#N)Cc1ccccn1)C(=O)[O-]	ZINC000827532740	601275798	/nfs/dbraw/zinc/27/57/98/601275798.db2.gz	JXAPAPHMAOMNLW-LLVKDONJSA-N	-1	0	311.363	0.848	20	30		DCEDRM
Cc1cc(NC(=O)Cn2cc(C(=O)[O-])nn2)n(CCC#N)n1	ZINC000832894417	601278491	/nfs/dbraw/zinc/27/84/91/601278491.db2.gz	JIWYMDFYZKNQEX-UHFFFAOYSA-N	-1	0	303.282	0.034	20	30		DCEDRM
CC(C)(CNC(=O)C(=O)Nc1cccc(OCC#N)c1)C(=O)[O-]	ZINC000826553550	601766511	/nfs/dbraw/zinc/76/65/11/601766511.db2.gz	BLZXVSFVEVVPDL-UHFFFAOYSA-N	-1	0	319.317	0.754	20	30		DCEDRM
C[C@H]1CN(C(=O)NCCNc2ncccc2C#N)C[C@H]1C(=O)[O-]	ZINC000828363639	601825595	/nfs/dbraw/zinc/82/55/95/601825595.db2.gz	XNMVFZPKVWYCKC-CMPLNLGQSA-N	-1	0	317.349	0.727	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)N1CCSC[C@H]1CC(=O)[O-]	ZINC000825687319	601926550	/nfs/dbraw/zinc/92/65/50/601926550.db2.gz	IGEFLTZGMLEQNR-VHSXEESVSA-N	-1	0	315.395	0.279	20	30		DCEDRM
C=CCOCC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1	ZINC000825691969	602254989	/nfs/dbraw/zinc/25/49/89/602254989.db2.gz	FHVMCXPMRBRCMQ-UHFFFAOYSA-N	-1	0	313.331	0.929	20	30		DCEDRM
C#CCN1CCN(C(=O)CNc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000825619305	602304636	/nfs/dbraw/zinc/30/46/36/602304636.db2.gz	KDDIYZHEAWYHQG-UHFFFAOYSA-N	-1	0	319.336	0.713	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cn1	ZINC000739129782	603238480	/nfs/dbraw/zinc/23/84/80/603238480.db2.gz	DLSFCMMRSLEQCI-SNVBAGLBSA-N	-1	0	310.335	0.374	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c1N	ZINC000831161902	603436286	/nfs/dbraw/zinc/43/62/86/603436286.db2.gz	PMMVEOUPGSDMKH-MWLCHTKSSA-N	-1	0	321.337	0.707	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)nc1	ZINC000831137227	603465917	/nfs/dbraw/zinc/46/59/17/603465917.db2.gz	TXSFEAJZANIENJ-VXGBXAGGSA-N	-1	0	317.349	0.918	20	30		DCEDRM
CN(C[C@@H]1CCCN1CC(=O)N(CCC#N)CCC#N)C(=O)[O-]	ZINC000828223256	603577139	/nfs/dbraw/zinc/57/71/39/603577139.db2.gz	JWRAZAHGBUQNGI-ZDUSSCGKSA-N	-1	0	321.381	0.717	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000831156709	603593153	/nfs/dbraw/zinc/59/31/53/603593153.db2.gz	HSHJMZYQAZTIJO-GFCCVEGCSA-N	-1	0	314.301	0.651	20	30		DCEDRM
CC(C)CCC(=O)NCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824231822	603595915	/nfs/dbraw/zinc/59/59/15/603595915.db2.gz	MYEXSYQDAYERRU-NSHDSACASA-N	-1	0	310.354	0.253	20	30		DCEDRM
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825063976	603597538	/nfs/dbraw/zinc/59/75/38/603597538.db2.gz	CIHOPLIIHAFUMN-ZJUUUORDSA-N	-1	0	310.354	0.252	20	30		DCEDRM
CCN(C[C@H](C)C#N)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000827019778	603599738	/nfs/dbraw/zinc/59/97/38/603599738.db2.gz	DIOLHWSNOALKQP-NEPJUHHUSA-N	-1	0	309.370	0.525	20	30		DCEDRM
CSCC[C@H](NC(=O)[O-])C(=O)N1CCN(CC#N)CC1	ZINC000829730496	603627185	/nfs/dbraw/zinc/62/71/85/603627185.db2.gz	NIYLXIAUUMJDLW-JTQLQIEISA-N	-1	0	300.384	0.043	20	30		DCEDRM
CC1CCC(NC(=O)CN2CCN(C(=O)[O-])C[C@H]2C#N)CC1	ZINC000825881072	603725330	/nfs/dbraw/zinc/72/53/30/603725330.db2.gz	SFLMXXXEXJREKI-WXRRBKDZSA-N	-1	0	308.382	0.869	20	30		DCEDRM
N#Cc1csc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1	ZINC000831161707	603737998	/nfs/dbraw/zinc/73/79/98/603737998.db2.gz	JQMHQACJMRUFGT-UHFFFAOYSA-N	-1	0	322.346	0.172	20	30		DCEDRM
C[C@H]1CCCN(S(=O)(=O)N(C)CCC#N)[C@H]1CNC(=O)[O-]	ZINC000825931241	603759047	/nfs/dbraw/zinc/75/90/47/603759047.db2.gz	IKYVXYJCFSSQGM-QWRGUYRKSA-N	-1	0	318.399	0.445	20	30		DCEDRM
C#CCN1CCN(C(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1	ZINC000823450857	603789123	/nfs/dbraw/zinc/78/91/23/603789123.db2.gz	JWVGXXVKFZNFNM-VXGBXAGGSA-N	-1	0	309.366	0.267	20	30		DCEDRM
C[C@H](OC(=O)[C@@H]1CCCCN1C(=O)[O-])C(=O)N(C)CCC#N	ZINC000825562733	603818079	/nfs/dbraw/zinc/81/80/79/603818079.db2.gz	XHNWWWYVIGSKFY-QWRGUYRKSA-N	-1	0	311.338	0.823	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)CC2(NC(=O)[O-])CCC2)C1	ZINC000831102938	603916431	/nfs/dbraw/zinc/91/64/31/603916431.db2.gz	ZYWROGXRIDRFSB-LBPRGKRZSA-N	-1	0	308.382	0.919	20	30		DCEDRM
CCCN(CCC)S(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826907085	603917671	/nfs/dbraw/zinc/91/76/71/603917671.db2.gz	KLNRJYIGYCFBDA-NSHDSACASA-N	-1	0	318.399	0.541	20	30		DCEDRM
N#CCNC(=O)COC(=O)[C@H](CNC(=O)[O-])c1ccccc1	ZINC000831102721	603922729	/nfs/dbraw/zinc/92/27/29/603922729.db2.gz	RUTTWRHCFYXHFN-LLVKDONJSA-N	-1	0	305.290	0.221	20	30		DCEDRM
N#CCOc1cccc(NC(=O)COC2CN(C(=O)[O-])C2)c1	ZINC000831109816	603979824	/nfs/dbraw/zinc/97/98/24/603979824.db2.gz	VSQVGXFGUHDSJJ-UHFFFAOYSA-N	-1	0	305.290	0.906	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)COC1CN(C(=O)[O-])C1	ZINC000823467498	604008294	/nfs/dbraw/zinc/00/82/94/604008294.db2.gz	YACCRFSFAGJHAM-UHFFFAOYSA-N	-1	0	318.329	0.694	20	30		DCEDRM
CC(C)(C(=O)N[C@H]1CCC[C@H]1C#N)N1CCN(C(=O)[O-])CC1	ZINC000823737380	604028460	/nfs/dbraw/zinc/02/84/60/604028460.db2.gz	GNGZTWMQCRRFHU-RYUDHWBXSA-N	-1	0	308.382	0.869	20	30		DCEDRM
CC(=O)c1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n(C)c1	ZINC000823628799	604064985	/nfs/dbraw/zinc/06/49/85/604064985.db2.gz	WBWVSZLOVITBBD-NSHDSACASA-N	-1	0	304.306	0.556	20	30		DCEDRM
CC(C)c1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)nn1C	ZINC000824453427	604073770	/nfs/dbraw/zinc/07/37/70/604073770.db2.gz	JZFBKCOVJDIYBO-JTQLQIEISA-N	-1	0	305.338	0.871	20	30		DCEDRM
Cc1ccn2cc(C(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)nc2c1	ZINC000830606903	604077851	/nfs/dbraw/zinc/07/78/51/604077851.db2.gz	GEGNBBGZRBZMON-LLVKDONJSA-N	-1	0	313.317	0.971	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1C#N	ZINC000830512259	604134971	/nfs/dbraw/zinc/13/49/71/604134971.db2.gz	WHJFPGAIZQLMAK-SNVBAGLBSA-N	-1	0	316.317	0.674	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)n1	ZINC000830984899	604154628	/nfs/dbraw/zinc/15/46/28/604154628.db2.gz	JVHPLXWWIGAFSC-SECBINFHSA-N	-1	0	306.326	0.803	20	30		DCEDRM
COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000828950433	604219167	/nfs/dbraw/zinc/21/91/67/604219167.db2.gz	IPXSRZFFUUQBAB-OUAUKWLOSA-N	-1	0	311.338	0.284	20	30		DCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000823506649	604221024	/nfs/dbraw/zinc/22/10/24/604221024.db2.gz	JPHDAVUMVVEJEL-MNOVXSKESA-N	-1	0	309.322	0.156	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)N1CCC(N(CC2CC2)C(=O)[O-])CC1	ZINC000823455214	604234480	/nfs/dbraw/zinc/23/44/80/604234480.db2.gz	AWPRFISLWHUNJP-GFCCVEGCSA-N	-1	0	307.394	0.979	20	30		DCEDRM
CCC1CCC(NC(=O)Cn2cnc(C#N)n2)(C(=O)[O-])CC1	ZINC000829089599	604332858	/nfs/dbraw/zinc/33/28/58/604332858.db2.gz	HBCAJMFUYLTQPJ-UHFFFAOYSA-N	-1	0	305.338	0.690	20	30		DCEDRM
C=CCNc1ncc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])s1	ZINC000825692207	604432970	/nfs/dbraw/zinc/43/29/70/604432970.db2.gz	NHKRBIJARPWMRX-ZETCQYMHSA-N	-1	0	313.335	0.487	20	30		DCEDRM
C#CCOCCC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC000833364451	604542794	/nfs/dbraw/zinc/54/27/94/604542794.db2.gz	RFQPRVKOLPWJMC-UHFFFAOYSA-N	-1	0	318.329	0.408	20	30		DCEDRM
CCN(CCC#N)C(=O)CN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000827111479	604606614	/nfs/dbraw/zinc/60/66/14/604606614.db2.gz	OQYWZVMYOOQXOV-NWDGAFQWSA-N	-1	0	312.370	0.105	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1	ZINC000831141265	604607751	/nfs/dbraw/zinc/60/77/51/604607751.db2.gz	FVUFZYBJVFDKCN-GFCCVEGCSA-N	-1	0	318.333	0.989	20	30		DCEDRM
O=C([O-])N1CCO[C@H](CC(=O)NCC#Cc2ccccc2)C1	ZINC000831381110	604672141	/nfs/dbraw/zinc/67/21/41/604672141.db2.gz	ISXKNWFVHCEACP-CQSZACIVSA-N	-1	0	302.330	0.923	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)cn1	ZINC000823467449	604680391	/nfs/dbraw/zinc/68/03/91/604680391.db2.gz	WNIVODIPBMVPFK-ZWNOBZJWSA-N	-1	0	303.318	0.560	20	30		DCEDRM
C[C@H](OC(=O)c1cc(C#N)cn1C)c1cn(CC(=O)[O-])nn1	ZINC000827845309	604684015	/nfs/dbraw/zinc/68/40/15/604684015.db2.gz	WVYFNSRFJANPJP-QMMMGPOBSA-N	-1	0	303.278	0.491	20	30		DCEDRM
C=CCn1c(SC[C@H](O)CC(=O)[O-])nnc1-c1cnccn1	ZINC000825711242	604752768	/nfs/dbraw/zinc/75/27/68/604752768.db2.gz	VQPQRVLXJXYODR-SECBINFHSA-N	-1	0	321.362	0.849	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)NC(=O)[O-])c1	ZINC000833368748	604947333	/nfs/dbraw/zinc/94/73/33/604947333.db2.gz	SUAABDRJBVEBLA-JTQLQIEISA-N	-1	0	303.318	0.721	20	30		DCEDRM
CN(C(=O)CN1CCOC[C@H]1C#N)c1ccccc1C(=O)[O-]	ZINC000833685417	604952689	/nfs/dbraw/zinc/95/26/89/604952689.db2.gz	HGRCMNFSAQVLIX-LLVKDONJSA-N	-1	0	303.318	0.572	20	30		DCEDRM
N#CCN1CCC(CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000831102687	604958432	/nfs/dbraw/zinc/95/84/32/604958432.db2.gz	QVUBCFDTNUOCIT-CYBMUJFWSA-N	-1	0	324.381	0.107	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833369757	605059900	/nfs/dbraw/zinc/05/99/00/605059900.db2.gz	DLMWNJDEPDIULM-SECBINFHSA-N	-1	0	317.338	0.987	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000833371530	605060995	/nfs/dbraw/zinc/06/09/95/605060995.db2.gz	UKTQVMYULQFLFO-MRVPVSSYSA-N	-1	0	305.377	0.909	20	30		DCEDRM
C#CCN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000061827096	605106905	/nfs/dbraw/zinc/10/69/05/605106905.db2.gz	LDYGWACICUWCPI-LLVKDONJSA-N	-1	0	315.391	0.526	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833379031	605174208	/nfs/dbraw/zinc/17/42/08/605174208.db2.gz	VKLLFVPXRGZSNM-AWEZNQCLSA-N	-1	0	320.345	0.944	20	30		DCEDRM
C=CCN(CC=C)C(=O)Cn1nc(C(=O)[O-])cc1C(=O)OC	ZINC000833375199	605185320	/nfs/dbraw/zinc/18/53/20/605185320.db2.gz	IPFHTIZIIWDHBP-UHFFFAOYSA-N	-1	0	307.306	0.569	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000829840348	605208422	/nfs/dbraw/zinc/20/84/22/605208422.db2.gz	YPYFBCZJQJFFAZ-NSHDSACASA-N	-1	0	316.317	0.674	20	30		DCEDRM
C=C(COC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(=O)OCC	ZINC000823480572	605223955	/nfs/dbraw/zinc/22/39/55/605223955.db2.gz	HDWLFOHHBKQHMZ-JTQLQIEISA-N	-1	0	301.295	0.418	20	30		DCEDRM
C=CCOc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1OC	ZINC000833377801	605283033	/nfs/dbraw/zinc/28/30/33/605283033.db2.gz	NVMKCFHHYVIBJA-NEPJUHHUSA-N	-1	0	321.329	0.920	20	30		DCEDRM
CC(=NNCCS(C)(=O)=O)c1ccccc1OCC(=O)[O-]	ZINC000833386657	605329547	/nfs/dbraw/zinc/32/95/47/605329547.db2.gz	PYHRWVMGVHYJTN-UHFFFAOYSA-N	-1	0	314.363	0.508	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])CC2	ZINC000833977164	605364674	/nfs/dbraw/zinc/36/46/74/605364674.db2.gz	OTPQQSNTTHQZHA-WCQYABFASA-N	-1	0	301.302	0.561	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-]	ZINC000833366174	605420390	/nfs/dbraw/zinc/42/03/90/605420390.db2.gz	JWOGUJAKPJRTDS-UHFFFAOYSA-N	-1	0	317.750	0.966	20	30		DCEDRM
C#CCOCCNC(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC000833365979	605430713	/nfs/dbraw/zinc/43/07/13/605430713.db2.gz	AFJDKNHKNFLEDN-UHFFFAOYSA-N	-1	0	306.318	0.842	20	30		DCEDRM
N#CCCN1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1	ZINC000833965901	605517175	/nfs/dbraw/zinc/51/71/75/605517175.db2.gz	UTLHCSNWBQVMGU-OLZOCXBDSA-N	-1	0	308.382	0.871	20	30		DCEDRM
CC(C)(CNC(=O)[O-])NC(=O)NCCNc1ccc(C#N)cn1	ZINC000823986691	605565567	/nfs/dbraw/zinc/56/55/67/605565567.db2.gz	VXOCHUUKAADZOT-UHFFFAOYSA-N	-1	0	320.353	0.711	20	30		DCEDRM
Cc1onc(CC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])c1C#N	ZINC000833936596	605697727	/nfs/dbraw/zinc/69/77/27/605697727.db2.gz	NBXSDBIYTCMKQG-ONGXEEELSA-N	-1	0	306.322	0.950	20	30		DCEDRM
COc1ccc(C#N)cc1COC(=O)COC1CN(C(=O)[O-])C1	ZINC000829268875	605815484	/nfs/dbraw/zinc/81/54/84/605815484.db2.gz	NERFDIKEKBCTRN-UHFFFAOYSA-N	-1	0	320.301	0.989	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCC(NC(=O)[O-])CC2)cc1	ZINC000833973388	605833915	/nfs/dbraw/zinc/83/39/15/605833915.db2.gz	OLYVIOMSZFCQSI-CYBMUJFWSA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cnc2n1CCCC2	ZINC000833968641	605834496	/nfs/dbraw/zinc/83/44/96/605834496.db2.gz	WYVALZUFYHWAKL-SNVBAGLBSA-N	-1	0	303.322	0.547	20	30		DCEDRM
Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c(O)c1O	ZINC000833903302	605839962	/nfs/dbraw/zinc/83/99/62/605839962.db2.gz	CXDSDPQDNCSWOU-VIFPVBQESA-N	-1	0	305.290	0.734	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCn2cncc2C1	ZINC000833965419	605843548	/nfs/dbraw/zinc/84/35/48/605843548.db2.gz	AMEHSIZXWJYUJU-JQWIXIFHSA-N	-1	0	303.322	0.160	20	30		DCEDRM
O=C([O-])N1CCCc2cccc(C=NNC3=NC(=O)C(=O)N3)c21	ZINC000834290678	606008220	/nfs/dbraw/zinc/00/82/20/606008220.db2.gz	UQQPJABSIQZDKB-UHFFFAOYSA-N	-1	0	315.289	0.053	20	30		DCEDRM
N#Cc1nc(NC(=O)CC[C@H]2CCOC2)[n-]c1-c1nn[nH]n1	ZINC000822814235	606286412	/nfs/dbraw/zinc/28/64/12/606286412.db2.gz	CPHNFEVLLHJVII-ZETCQYMHSA-N	-1	0	302.298	0.217	20	30		DCEDRM
C=CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000819750372	606882155	/nfs/dbraw/zinc/88/21/55/606882155.db2.gz	DVGTYCKSVPLITQ-UHFFFAOYSA-N	-1	0	301.278	0.609	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(OC)c(OC)c1OC)C(=O)[O-]	ZINC000317013770	660987517	/nfs/dbraw/zinc/98/75/17/660987517.db2.gz	PXQZNKDYIMSPIH-JTQLQIEISA-N	-1	0	307.302	0.919	20	30		DCEDRM
CN(CC(=O)[N-]S(=O)(=O)C1CCCCC1)S(C)(=O)=O	ZINC000049513765	657476482	/nfs/dbraw/zinc/47/64/82/657476482.db2.gz	XSUOPUBAKXCIGL-UHFFFAOYSA-N	-1	0	312.413	0.497	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000043703114	658285042	/nfs/dbraw/zinc/28/50/42/658285042.db2.gz	WDVCFYMPCGRXMT-GFCCVEGCSA-N	-1	0	310.331	0.173	20	30		DCEDRM
CN(CC#N)[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC000972722451	658350523	/nfs/dbraw/zinc/35/05/23/658350523.db2.gz	XMYJBJDDPJVDCX-SECBINFHSA-N	-1	0	301.306	0.598	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1CC(F)(F)F	ZINC000813094671	658705659	/nfs/dbraw/zinc/70/56/59/658705659.db2.gz	NDBVZAADUKZBGP-SECBINFHSA-N	-1	0	312.313	0.482	20	30		DCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)CC1	ZINC000893249103	659172170	/nfs/dbraw/zinc/17/21/70/659172170.db2.gz	ZLVCPVRMEANJSE-LBPRGKRZSA-N	-1	0	305.396	0.840	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1c(Br)cnn1C	ZINC000892882667	659497102	/nfs/dbraw/zinc/49/71/02/659497102.db2.gz	OLDSGDFXTKGRQO-UHFFFAOYSA-N	-1	0	322.184	0.357	20	30		DCEDRM
N#CCN1CC[C@@H](CNC(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001028841059	661846746	/nfs/dbraw/zinc/84/67/46/661846746.db2.gz	QTTUZGLNTBUTHD-NSHDSACASA-N	-1	0	311.345	0.911	20	30		DCEDRM
CN(CC(=O)C(C#N)=C([O-])c1nccn1C)[C@@H]1CCSC1	ZINC000127028476	662301601	/nfs/dbraw/zinc/30/16/01/662301601.db2.gz	GEQSWVWIPLXQTP-MNOVXSKESA-N	-1	0	306.391	0.749	20	30		DCEDRM
C#Cc1ccc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)nc1	ZINC000728959056	662521533	/nfs/dbraw/zinc/52/15/33/662521533.db2.gz	YHNAGWHOIHLNJR-UHFFFAOYSA-N	-1	0	312.329	0.962	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)NCCCC(=O)[O-]	ZINC000263550103	662716734	/nfs/dbraw/zinc/71/67/34/662716734.db2.gz	KBRADYUPAJDWMO-UHFFFAOYSA-N	-1	0	300.311	0.982	20	30		DCEDRM
N#Cc1cn(CC(=O)N(CC(F)F)C2CCC2)c(=O)[n-]c1=O	ZINC000899784533	663189499	/nfs/dbraw/zinc/18/94/99/663189499.db2.gz	HSCGOTRSOYYZKF-UHFFFAOYSA-N	-1	0	312.276	0.467	20	30		DCEDRM
CSCCNC(=S)NN=Cc1cc(C(=O)[O-])nn1C	ZINC000901206291	663330459	/nfs/dbraw/zinc/33/04/59/663330459.db2.gz	BJHYDUMBKYZHPO-UHFFFAOYSA-N	-1	0	301.397	0.279	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)[C@H]1CCCO1	ZINC000906935692	663652750	/nfs/dbraw/zinc/65/27/50/663652750.db2.gz	UHJHJEZZGUZWQS-CHWSQXEVSA-N	-1	0	309.343	0.844	20	30		DCEDRM
C=CCN1CC(N2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)C1	ZINC000941380971	665986445	/nfs/dbraw/zinc/98/64/45/665986445.db2.gz	UQFJOELKNLBUDN-UHFFFAOYSA-N	-1	0	305.382	0.052	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NC[C@H](C)CN1CCOCC1)C(=O)[O-]	ZINC000908913043	663774004	/nfs/dbraw/zinc/77/40/04/663774004.db2.gz	DMDYWVRHUWPDBK-QWHCGFSZSA-N	-1	0	313.398	0.673	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCCN1CCOCC1(C)C)C(=O)[O-]	ZINC000908938021	663775532	/nfs/dbraw/zinc/77/55/32/663775532.db2.gz	XBGYPCDIEMVQSR-GFCCVEGCSA-N	-1	0	313.398	0.816	20	30		DCEDRM
C#CCSCCNC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000909053243	663779928	/nfs/dbraw/zinc/77/99/28/663779928.db2.gz	WAFVXRHDVMXAER-QWRGUYRKSA-N	-1	0	300.380	0.674	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)C1(O)CCOCC1	ZINC000909145041	663783447	/nfs/dbraw/zinc/78/34/47/663783447.db2.gz	CESTUXYKSZICEM-UHFFFAOYSA-N	-1	0	314.382	0.836	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](COCC)C(=O)[O-]	ZINC000909237207	663788674	/nfs/dbraw/zinc/78/86/74/663788674.db2.gz	FOORIOAOOMXYAQ-TUAOUCFPSA-N	-1	0	300.355	0.709	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1cnn2c1CCCC2)C(=O)[O-]	ZINC000909770638	663800279	/nfs/dbraw/zinc/80/02/79/663800279.db2.gz	HFWJLZPHWOJWAO-GFCCVEGCSA-N	-1	0	307.350	0.534	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](O)CCc1ccccc1)C(=O)[O-]	ZINC000909771569	663800423	/nfs/dbraw/zinc/80/04/23/663800423.db2.gz	RFIIUWADZUOOSY-KBPBESRZSA-N	-1	0	307.346	0.752	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1)C(=O)[O-]	ZINC000909772511	663801029	/nfs/dbraw/zinc/80/10/29/663801029.db2.gz	QYPPQMZLJQFTSB-GRDNDAEWSA-N	-1	0	319.357	0.851	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000909861767	663816005	/nfs/dbraw/zinc/81/60/05/663816005.db2.gz	JKEXIWIDDTVQEU-WDEREUQCSA-N	-1	0	306.322	0.178	20	30		DCEDRM
C#CC[C@H](NC(=O)CC1CN(C(=O)OC(C)(C)C)C1)C(=O)[O-]	ZINC000910054283	663837929	/nfs/dbraw/zinc/83/79/29/663837929.db2.gz	MFXQXVMYYASHAF-NSHDSACASA-N	-1	0	310.350	0.836	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc2cnn(CC)c2nc1C)C(=O)[O-]	ZINC000910049310	663840419	/nfs/dbraw/zinc/84/04/19/663840419.db2.gz	VLMQVVBXIBZFQU-GFCCVEGCSA-N	-1	0	300.318	0.966	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](Oc1ccccc1)C(C)(C)O)C(=O)[O-]	ZINC000910049272	663840559	/nfs/dbraw/zinc/84/05/59/663840559.db2.gz	UXAHPTIIHDHTBP-STQMWFEESA-N	-1	0	305.330	0.798	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC000910050918	663840861	/nfs/dbraw/zinc/84/08/61/663840861.db2.gz	AAUDIMPTCHVODB-RFQIPJPRSA-N	-1	0	310.394	0.713	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cn1nc(C(F)(F)F)cc1C)C(=O)[O-]	ZINC000910050113	663840876	/nfs/dbraw/zinc/84/08/76/663840876.db2.gz	FPAZIYPWPQUYEV-MRVPVSSYSA-N	-1	0	303.240	0.803	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21	ZINC000911395017	664047013	/nfs/dbraw/zinc/04/70/13/664047013.db2.gz	IARILLXNLPIAGK-LLVKDONJSA-N	-1	0	300.314	0.840	20	30		DCEDRM
COC(=O)c1cn[n-]c1S(=O)(=O)Oc1ccc(C#N)cc1	ZINC000912531445	664184439	/nfs/dbraw/zinc/18/44/39/664184439.db2.gz	MOFKULDRCNIGPY-UHFFFAOYSA-N	-1	0	307.287	0.836	20	30		DCEDRM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccnc(C#N)c1	ZINC000912563253	664185805	/nfs/dbraw/zinc/18/58/05/664185805.db2.gz	UXUDDPDNBJAZAS-UHFFFAOYSA-N	-1	0	321.318	0.076	20	30		DCEDRM
C#Cc1cccc(N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC000730545677	664791762	/nfs/dbraw/zinc/79/17/62/664791762.db2.gz	KRKBTGPXEMFYGN-UHFFFAOYSA-N	-1	0	307.313	0.716	20	30		DCEDRM
C=CCOc1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1	ZINC000731855160	664886293	/nfs/dbraw/zinc/88/62/93/664886293.db2.gz	UEDIJSFBFIFZKC-ZDUSSCGKSA-N	-1	0	315.333	0.978	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)c1[O-]	ZINC000993904628	665017263	/nfs/dbraw/zinc/01/72/63/665017263.db2.gz	HJEXNAICYBQNER-IQJOONFLSA-N	-1	0	319.365	0.408	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc([S@@](C)=O)cc1	ZINC000916875881	665098385	/nfs/dbraw/zinc/09/83/85/665098385.db2.gz	VYWTUFDKWIXAPO-MCMMXHMISA-N	-1	0	322.386	0.899	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1csc(NC(C)=O)n1	ZINC000916890141	665099040	/nfs/dbraw/zinc/09/90/40/665099040.db2.gz	FNUSOUHVVSGVOS-MRVPVSSYSA-N	-1	0	310.335	0.187	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)OCCCO2	ZINC000916892207	665099429	/nfs/dbraw/zinc/09/94/29/665099429.db2.gz	IXTNZCJFIAQMRK-LBPRGKRZSA-N	-1	0	318.329	0.933	20	30		DCEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1S(C)(=O)=O	ZINC000916931507	665101679	/nfs/dbraw/zinc/10/16/79/665101679.db2.gz	QVBMXLGFMWJSTD-LBPRGKRZSA-N	-1	0	320.370	1.000	20	30		DCEDRM
N#Cc1nc(NC(=O)Cn2cc(Br)cn2)[n-]c1C#N	ZINC000917098977	665115384	/nfs/dbraw/zinc/11/53/84/665115384.db2.gz	XMFSMKHEZKRNHV-UHFFFAOYSA-N	-1	0	320.110	0.751	20	30		DCEDRM
CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001032985130	666419836	/nfs/dbraw/zinc/41/98/36/666419836.db2.gz	HIUPUOUJCJEGMF-SNVBAGLBSA-N	-1	0	315.337	0.057	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1	ZINC000733681060	666793677	/nfs/dbraw/zinc/79/36/77/666793677.db2.gz	OJFQYFASRVWPCN-UHFFFAOYSA-N	-1	0	321.362	0.648	20	30		DCEDRM
CCS(=O)(=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000737226218	667114274	/nfs/dbraw/zinc/11/42/74/667114274.db2.gz	FUEBTMLBNKRULE-UHFFFAOYSA-N	-1	0	310.331	0.531	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C(=O)[O-]	ZINC000864183390	667222404	/nfs/dbraw/zinc/22/24/04/667222404.db2.gz	JPAXATOSKZXNJM-VIFPVBQESA-N	-1	0	323.798	0.913	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC000864183937	667222686	/nfs/dbraw/zinc/22/26/86/667222686.db2.gz	UNZICRZBSYLYPC-WCBMZHEXSA-N	-1	0	300.742	0.709	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001035670032	667400171	/nfs/dbraw/zinc/40/01/71/667400171.db2.gz	AWAIXJRTOMXMDK-JTQLQIEISA-N	-1	0	304.354	0.094	20	30		DCEDRM
C#CCN1CCC[C@@H](NS(=O)(=O)c2cc([O-])cc(F)c2)C1	ZINC000885507958	667679059	/nfs/dbraw/zinc/67/90/59/667679059.db2.gz	AGMPMSSXAGNLGW-GFCCVEGCSA-N	-1	0	312.366	0.907	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@H](C)CC2	ZINC000870134629	667712695	/nfs/dbraw/zinc/71/26/95/667712695.db2.gz	QVIQEVLCBQXLBS-NEPJUHHUSA-N	-1	0	318.377	0.941	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1	ZINC000838914804	667717562	/nfs/dbraw/zinc/71/75/62/667717562.db2.gz	QSNALMFSNLPIOQ-UHFFFAOYSA-N	-1	0	306.347	0.956	20	30		DCEDRM
CC(C)NC(=O)CN(C)CC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692835	667752069	/nfs/dbraw/zinc/75/20/69/667752069.db2.gz	OEAQEROYQAQIOY-UHFFFAOYSA-N	-1	0	304.350	0.425	20	30		DCEDRM
CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870693784	667752699	/nfs/dbraw/zinc/75/26/99/667752699.db2.gz	ULYFBEGIJUAAIT-CYBMUJFWSA-N	-1	0	323.374	0.782	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C2CCCC2)CC1	ZINC000870831919	667764927	/nfs/dbraw/zinc/76/49/27/667764927.db2.gz	LPNBRMLRVHTYAT-GFCCVEGCSA-N	-1	0	314.407	0.846	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C\c2cnc(OC)nc2)CC1	ZINC000870835645	667765329	/nfs/dbraw/zinc/76/53/29/667765329.db2.gz	HYTFEWCZOOIAAB-PLNGDYQASA-N	-1	0	309.347	0.663	20	30		DCEDRM
COC(=O)c1ccccc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC000744728793	667832183	/nfs/dbraw/zinc/83/21/83/667832183.db2.gz	GECBRHLZLDYBDU-UHFFFAOYSA-N	-1	0	304.331	0.904	20	30		DCEDRM
Cc1nnc(NN=Cc2ccc(OCC(N)=O)cc2)[n-]c1=O	ZINC000745984503	667859645	/nfs/dbraw/zinc/85/96/45/667859645.db2.gz	MUJYQWQGTRCQBE-UHFFFAOYSA-N	-1	0	302.294	0.196	20	30		DCEDRM
Cc1nnc([S-])n(N=C[C@@H]2CCN(c3cnn(C)c3)C2)c1=O	ZINC000872330091	667891388	/nfs/dbraw/zinc/89/13/88/667891388.db2.gz	GVRAVVZVQDMYSV-JTQLQIEISA-N	-1	0	319.394	0.329	20	30		DCEDRM
CC#CC[C@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000872500381	667903751	/nfs/dbraw/zinc/90/37/51/667903751.db2.gz	OMLIHOLBCHSXAL-MGNBDDOMSA-N	-1	0	310.441	0.491	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@H](C(F)(F)F)C2)c(=O)[n-]c1=O	ZINC000888026773	667939124	/nfs/dbraw/zinc/93/91/24/667939124.db2.gz	GVJCWXMOOJBNHN-QMMMGPOBSA-N	-1	0	316.239	0.231	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)Cc2ccc(C#N)cc2)cn1	ZINC000750389284	667977651	/nfs/dbraw/zinc/97/76/51/667977651.db2.gz	NPXGUXSOKFGVPC-UHFFFAOYSA-N	-1	0	304.331	0.339	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc2[nH]c(=O)oc21	ZINC000752477336	668018160	/nfs/dbraw/zinc/01/81/60/668018160.db2.gz	NZMGQJIJLUUPCM-VIFPVBQESA-N	-1	0	303.274	0.618	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)Cc1cccnc1	ZINC000753946196	668038639	/nfs/dbraw/zinc/03/86/39/668038639.db2.gz	FPEHLDMYQHTVKH-UHFFFAOYSA-N	-1	0	304.331	0.552	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cncc(N2CCOCC2)c1	ZINC000757407319	668130718	/nfs/dbraw/zinc/13/07/18/668130718.db2.gz	CSJGHPOCXJMACK-AWEZNQCLSA-N	-1	0	314.345	0.543	20	30		DCEDRM
COC[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(N)=O	ZINC000759036345	668205054	/nfs/dbraw/zinc/20/50/54/668205054.db2.gz	OMLCGOBNSSRYDP-YZGKKBKGSA-N	-1	0	301.686	0.873	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2coc(C(N)=O)c2)c1	ZINC000760182028	668261899	/nfs/dbraw/zinc/26/18/99/668261899.db2.gz	GMGKHMJMOXAPDP-UHFFFAOYSA-N	-1	0	319.298	0.369	20	30		DCEDRM
CC(=O)N(C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000760388410	668269946	/nfs/dbraw/zinc/26/99/46/668269946.db2.gz	PMQVZBLKNIUGGR-UHFFFAOYSA-N	-1	0	315.395	0.385	20	30		DCEDRM
CS(=O)(=O)CCNN=Cc1[nH]nc2cc(C(=O)[O-])ccc12	ZINC000765574642	668499823	/nfs/dbraw/zinc/49/98/23/668499823.db2.gz	AJCRZYUCENQABY-UHFFFAOYSA-N	-1	0	310.335	0.229	20	30		DCEDRM
CC[C@@H](CNC(=O)C(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000927935483	668534315	/nfs/dbraw/zinc/53/43/15/668534315.db2.gz	DWHDHOGEWFLVDI-ZDUSSCGKSA-N	-1	0	302.330	0.381	20	30		DCEDRM
CC(C)(C)[C@@](C)(C#N)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000766588103	668539950	/nfs/dbraw/zinc/53/99/50/668539950.db2.gz	MNRNNLPTMGKYJV-CQSZACIVSA-N	-1	0	302.338	0.516	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)c1ocnc1C	ZINC000766976787	668555600	/nfs/dbraw/zinc/55/56/00/668555600.db2.gz	OMRMTEYWNFNUFA-UHFFFAOYSA-N	-1	0	321.314	0.982	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)C2(C(N)=O)CCC2)n1	ZINC000769095173	668634200	/nfs/dbraw/zinc/63/42/00/668634200.db2.gz	FAZQGJMKYFLHMQ-SECBINFHSA-N	-1	0	321.358	0.827	20	30		DCEDRM
C=CCCC[C@H](NC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)C(=O)[O-]	ZINC000929050892	668647493	/nfs/dbraw/zinc/64/74/93/668647493.db2.gz	TWTNMQDOCGYDKD-AVGNSLFASA-N	-1	0	313.398	0.814	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(=O)[n-]c(OC)n1	ZINC000770520799	668698532	/nfs/dbraw/zinc/69/85/32/668698532.db2.gz	YDYIRYWNGQUWQZ-SECBINFHSA-N	-1	0	322.321	0.356	20	30		DCEDRM
CC(C)CN1C[C@H](C(=O)C(C#N)=C([O-])c2nccn2C)CC1=O	ZINC000770868732	668720752	/nfs/dbraw/zinc/72/07/52/668720752.db2.gz	OTFUUAJDWRPCIH-NEPJUHHUSA-N	-1	0	316.361	0.816	20	30		DCEDRM
COC(=O)CSCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770868028	668721056	/nfs/dbraw/zinc/72/10/56/668721056.db2.gz	BRUZWWUDNBJFFS-SECBINFHSA-N	-1	0	309.347	0.608	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(CC(F)(F)F)C1	ZINC000772718160	668782296	/nfs/dbraw/zinc/78/22/96/668782296.db2.gz	NLXAAYHKGZJLDL-SECBINFHSA-N	-1	0	314.329	0.893	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccnc(N(C)C)c1	ZINC000773967386	668818328	/nfs/dbraw/zinc/81/83/28/668818328.db2.gz	KRKUVGGTRZRJOH-GFCCVEGCSA-N	-1	0	304.350	0.623	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000775310839	668860206	/nfs/dbraw/zinc/86/02/06/668860206.db2.gz	OHRZGEDARJTYAO-UHFFFAOYSA-N	-1	0	313.331	0.813	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCCO2	ZINC000776121779	668871255	/nfs/dbraw/zinc/87/12/55/668871255.db2.gz	KDCGUEYNJZRHKS-UHFFFAOYSA-N	-1	0	324.358	0.750	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2C(=O)O1	ZINC000776122940	668871427	/nfs/dbraw/zinc/87/14/27/668871427.db2.gz	HKCJFCQHLABBES-LBPRGKRZSA-N	-1	0	322.342	0.518	20	30		DCEDRM
CS(=O)(=O)c1cccc(NN=Cc2cn(CC(=O)[O-])nn2)c1	ZINC000776260993	668874361	/nfs/dbraw/zinc/87/43/61/668874361.db2.gz	SHIAWGYPDISHNC-UHFFFAOYSA-N	-1	0	323.334	0.212	20	30		DCEDRM
CC[C@H](CNS(=O)(=O)c1ccc(C#N)cc1OC)C(=O)[O-]	ZINC000776540595	668877328	/nfs/dbraw/zinc/87/73/28/668877328.db2.gz	VBGUGUYVSRBDRW-SNVBAGLBSA-N	-1	0	312.347	0.956	20	30		DCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)NCCc1n[n-]c(=S)o1	ZINC000776541517	668877365	/nfs/dbraw/zinc/87/73/65/668877365.db2.gz	AKIPPRVRQKNTKE-UHFFFAOYSA-N	-1	0	317.326	0.797	20	30		DCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)Cc1ccccc1C#N	ZINC000776702203	668880213	/nfs/dbraw/zinc/88/02/13/668880213.db2.gz	XAPXUKNGZCSJQN-LBPRGKRZSA-N	-1	0	312.347	0.419	20	30		DCEDRM
COCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000779201183	668908239	/nfs/dbraw/zinc/90/82/39/668908239.db2.gz	DLAVYPYXOUKPMM-UHFFFAOYSA-N	-1	0	308.359	0.931	20	30		DCEDRM
CCC[C@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)c1nnn[n-]1	ZINC000780958615	669022769	/nfs/dbraw/zinc/02/27/69/669022769.db2.gz	FNZAFCGELPYEMC-NWDGAFQWSA-N	-1	0	300.322	0.762	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000783137132	669144654	/nfs/dbraw/zinc/14/46/54/669144654.db2.gz	PZAGHBVCPUPCLS-GFCCVEGCSA-N	-1	0	301.368	0.454	20	30		DCEDRM
C#CCO[N-]C(=O)Cc1csc(S[C@H](CC)C(N)=O)n1	ZINC000880078425	669156344	/nfs/dbraw/zinc/15/63/44/669156344.db2.gz	DWVVHFMOUPJYIO-SECBINFHSA-N	-1	0	313.404	0.723	20	30		DCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2	ZINC000783601471	669162967	/nfs/dbraw/zinc/16/29/67/669162967.db2.gz	ODBHYXSRUMDONK-UHFFFAOYSA-N	-1	0	318.314	0.763	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@@H]1CCCCO1)cc2=O	ZINC000784286995	669197341	/nfs/dbraw/zinc/19/73/41/669197341.db2.gz	PMWYURQNBBAZGB-NSHDSACASA-N	-1	0	302.290	0.919	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@@H]1C[C@]13CCOC3)cc2=O	ZINC000784734757	669218999	/nfs/dbraw/zinc/21/89/99/669218999.db2.gz	OBYVDCDEAVYHIB-NHYWBVRUSA-N	-1	0	314.301	0.776	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2nsnc2c1	ZINC000784834526	669223348	/nfs/dbraw/zinc/22/33/48/669223348.db2.gz	GZHHXXQPFQBIDT-SECBINFHSA-N	-1	0	304.331	0.776	20	30		DCEDRM
COC[C@@H](C#N)OC(=O)c1ccc(F)c(NS(C)(=O)=O)c1	ZINC000785280222	669243635	/nfs/dbraw/zinc/24/36/35/669243635.db2.gz	HXZDRMNUHIRYJC-SECBINFHSA-N	-1	0	316.310	0.893	20	30		DCEDRM
CCO[N-]C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000785358446	669249729	/nfs/dbraw/zinc/24/97/29/669249729.db2.gz	LMNKKCCVMRNWNA-UHFFFAOYSA-N	-1	0	317.280	0.889	20	30		DCEDRM
COc1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)cc1C#N	ZINC000785400816	669253872	/nfs/dbraw/zinc/25/38/72/669253872.db2.gz	DBOFTMOLWATFIH-CHWSQXEVSA-N	-1	0	304.302	0.815	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)[C@]34C[C@H]3CCCC4)C2)c(=O)[n-]c1=O	ZINC000880829323	669272229	/nfs/dbraw/zinc/27/22/29/669272229.db2.gz	CUDBGBSDMGJLOY-BDJLRTHQSA-N	-1	0	314.345	0.784	20	30		DCEDRM
N#Cc1cc(Cn2cc(C[N-]C(=O)C(F)(F)F)nn2)ccn1	ZINC000881297232	669319394	/nfs/dbraw/zinc/31/93/94/669319394.db2.gz	IQDRFSHFNYKFII-UHFFFAOYSA-N	-1	0	310.239	0.772	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000786769055	669328606	/nfs/dbraw/zinc/32/86/06/669328606.db2.gz	GIOFOMLQZAETNE-BDAKNGLRSA-N	-1	0	322.283	0.371	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)[C@H](CCC)C(=O)OCC)C(=O)OC	ZINC000882252555	669487653	/nfs/dbraw/zinc/48/76/53/669487653.db2.gz	RHCWZAJSARIGDQ-WDEREUQCSA-N	-1	0	319.379	0.203	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(-c2cc(C)cc(F)c2)nn1	ZINC000789457490	669496097	/nfs/dbraw/zinc/49/60/97/669496097.db2.gz	AGGQGECESKISDU-UHFFFAOYSA-N	-1	0	324.337	0.960	20	30		DCEDRM
C#CC[C@@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1	ZINC000882339981	669504247	/nfs/dbraw/zinc/50/42/47/669504247.db2.gz	MNUZAOQJDHZKMS-JEOXALJRSA-N	-1	0	316.404	0.362	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](C)NC(=O)C1CCCC1	ZINC000791111507	669594476	/nfs/dbraw/zinc/59/44/76/669594476.db2.gz	TXKRJYGZYVERIA-LLVKDONJSA-N	-1	0	314.407	0.541	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(NC(C)=O)ccc1F	ZINC000791110304	669594485	/nfs/dbraw/zinc/59/44/85/669594485.db2.gz	BMTJALCPJSPOHR-UHFFFAOYSA-N	-1	0	312.322	0.867	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C1CCCC1	ZINC000810785197	669688867	/nfs/dbraw/zinc/68/88/67/669688867.db2.gz	AWTBVPYTMYFUFS-SNVBAGLBSA-N	-1	0	300.380	0.151	20	30		DCEDRM
CC[C@H](NN=C1C(=O)Nc2cc(OC)c(OC)cc21)C(=O)[O-]	ZINC000793056523	669699856	/nfs/dbraw/zinc/69/98/56/669699856.db2.gz	UTNIUHGZORAYCQ-QMMMGPOBSA-N	-1	0	307.306	0.813	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1scnc1COC	ZINC000793125989	669703074	/nfs/dbraw/zinc/70/30/74/669703074.db2.gz	SLVURCDDQJEXEN-VIFPVBQESA-N	-1	0	311.363	0.765	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1	ZINC000793201228	669707708	/nfs/dbraw/zinc/70/77/08/669707708.db2.gz	JOTGAHZXXXWXBT-UHFFFAOYSA-N	-1	0	303.343	0.851	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2nc(C)n(C)c2c1	ZINC000796633393	669937194	/nfs/dbraw/zinc/93/71/94/669937194.db2.gz	ODIATSVHTOGFKX-GFCCVEGCSA-N	-1	0	314.345	0.967	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2nc(C)n(C)c2c1	ZINC000796633397	669937480	/nfs/dbraw/zinc/93/74/80/669937480.db2.gz	ODIATSVHTOGFKX-LBPRGKRZSA-N	-1	0	314.345	0.967	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1occ2c1CCOC2	ZINC000796770644	669942084	/nfs/dbraw/zinc/94/20/84/669942084.db2.gz	FRWACOCVKHEWNH-GFCCVEGCSA-N	-1	0	306.318	0.827	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1occ2c1CCOC2	ZINC000796770645	669942228	/nfs/dbraw/zinc/94/22/28/669942228.db2.gz	FRWACOCVKHEWNH-LBPRGKRZSA-N	-1	0	306.318	0.827	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)o1	ZINC000797033071	669953935	/nfs/dbraw/zinc/95/39/35/669953935.db2.gz	YRMFPYRKPQYHOW-UHFFFAOYSA-N	-1	0	320.282	0.999	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)CCC(F)(F)F)cn1	ZINC000797264481	669961460	/nfs/dbraw/zinc/96/14/60/669961460.db2.gz	SYMDFZDJDKFCCE-UHFFFAOYSA-N	-1	0	307.253	0.965	20	30		DCEDRM
N#Cc1cccc(-n2ccc(C(=O)OCc3n[nH]c(=O)[n-]3)n2)c1	ZINC000798800416	670024963	/nfs/dbraw/zinc/02/49/63/670024963.db2.gz	HBSMFUXDGWQMKB-UHFFFAOYSA-N	-1	0	310.273	0.925	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCCC(=O)N2)n1	ZINC000800241555	670081834	/nfs/dbraw/zinc/08/18/34/670081834.db2.gz	CKRYDIZRGNAVTD-NXEZZACHSA-N	-1	0	321.358	0.840	20	30		DCEDRM
C#CC[C@H](Cc1ccccc1)NC(=O)c1cnc([O-])n(C)c1=O	ZINC000804453138	670295429	/nfs/dbraw/zinc/29/54/29/670295429.db2.gz	UMEXWWJWUUNNGQ-CYBMUJFWSA-N	-1	0	311.341	0.850	20	30		DCEDRM
O=C([O-])COc1ccc(CN=Nc2nc[nH]n2)cc1[N+](=O)[O-]	ZINC000807996944	670383932	/nfs/dbraw/zinc/38/39/32/670383932.db2.gz	AHFJAPPINLUNDZ-UHFFFAOYSA-N	-1	0	306.238	0.622	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000809033244	670438067	/nfs/dbraw/zinc/43/80/67/670438067.db2.gz	HZEOULLHTLUHDV-UHFFFAOYSA-N	-1	0	310.360	0.780	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1COc2ccc(OC)cc2C1	ZINC000810772985	670496551	/nfs/dbraw/zinc/49/65/51/670496551.db2.gz	MYLWDLWDCZHAKI-LBPRGKRZSA-N	-1	0	323.370	0.716	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(N(C)C(C)=O)cc1	ZINC000810772031	670496650	/nfs/dbraw/zinc/49/66/50/670496650.db2.gz	ZHGNKKFADXJBRP-UHFFFAOYSA-N	-1	0	308.359	0.752	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COc1cc(F)cc(F)c1	ZINC000810770444	670496731	/nfs/dbraw/zinc/49/67/31/670496731.db2.gz	NOUPSKKHMHQKIE-UHFFFAOYSA-N	-1	0	303.286	0.813	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COc1ccccc1OCC	ZINC000810777339	670497155	/nfs/dbraw/zinc/49/71/55/670497155.db2.gz	FAXBBBWZASNQPV-UHFFFAOYSA-N	-1	0	311.359	0.933	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cc(OC)ccc1OC	ZINC000810777161	670497156	/nfs/dbraw/zinc/49/71/56/670497156.db2.gz	CFGRWHQPERGXJA-UHFFFAOYSA-N	-1	0	311.359	0.716	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cccc2)nc1	ZINC000810782217	670497713	/nfs/dbraw/zinc/49/77/13/670497713.db2.gz	MJLKAVHBSPOPOI-UHFFFAOYSA-N	-1	0	303.343	0.955	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)(C)C	ZINC000810783278	670498024	/nfs/dbraw/zinc/49/80/24/670498024.db2.gz	LEBGYMFOEHZTSV-NSHDSACASA-N	-1	0	314.407	0.493	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(C)c1Br	ZINC000810784505	670498113	/nfs/dbraw/zinc/49/81/13/670498113.db2.gz	IDKFZJHHRROMDB-UHFFFAOYSA-N	-1	0	320.168	0.266	20	30		DCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000810827718	670498664	/nfs/dbraw/zinc/49/86/64/670498664.db2.gz	ROHOPDZCZRIEFB-UHFFFAOYSA-N	-1	0	320.330	0.485	20	30		DCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000810832192	670498949	/nfs/dbraw/zinc/49/89/49/670498949.db2.gz	HIYUHVKFVPHWOM-UHFFFAOYSA-N	-1	0	312.332	0.617	20	30		DCEDRM
CN(C)c1ncc(C(=O)[N-]S(=O)(=O)CCC#N)cc1Cl	ZINC000847707414	670593012	/nfs/dbraw/zinc/59/30/12/670593012.db2.gz	JGKSXULWLIKZKK-UHFFFAOYSA-N	-1	0	316.770	0.774	20	30		DCEDRM
C#CCO[N-]C(=O)CNS(=O)(=O)c1ccc2ccccc2c1	ZINC000812780847	670594455	/nfs/dbraw/zinc/59/44/55/670594455.db2.gz	AAABOGGIXXADFM-UHFFFAOYSA-N	-1	0	318.354	0.799	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1	ZINC000812783971	670595628	/nfs/dbraw/zinc/59/56/28/670595628.db2.gz	PCNXYKGYMQFFAF-KGLIPLIRSA-N	-1	0	318.329	0.439	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)nnn2C	ZINC000103797839	670653748	/nfs/dbraw/zinc/65/37/48/670653748.db2.gz	HUIQHVHATAPJCB-LLVKDONJSA-N	-1	0	315.333	0.443	20	30		DCEDRM
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(=O)n(C)[n-]1	ZINC000855013553	670670028	/nfs/dbraw/zinc/67/00/28/670670028.db2.gz	TZEOOBMMYSCTCA-ZDUSSCGKSA-N	-1	0	300.318	0.803	20	30		DCEDRM
C#CCN(CC(=O)NCC(=O)[N-]OCC)C(=O)OC(C)(C)C	ZINC000855025261	670670993	/nfs/dbraw/zinc/67/09/93/670670993.db2.gz	ZRPUOXJPGJGJNS-UHFFFAOYSA-N	-1	0	313.354	0.041	20	30		DCEDRM
COc1ccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1C#N	ZINC000848609409	670704841	/nfs/dbraw/zinc/70/48/41/670704841.db2.gz	DPGZLSARSFQTNQ-VIFPVBQESA-N	-1	0	319.317	0.020	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C1CC[C@@H](CC(=O)[O-])[C@H]1C	ZINC000814845553	670705494	/nfs/dbraw/zinc/70/54/94/670705494.db2.gz	ZPXDCEPVLGPLNQ-SFYZADRCSA-N	-1	0	300.384	0.073	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1c[nH]c(C(=O)OC)c1	ZINC000815905096	670771230	/nfs/dbraw/zinc/77/12/30/670771230.db2.gz	ZMMZMJINRAZQON-NSHDSACASA-N	-1	0	321.333	0.667	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1nn(CC)nc1C	ZINC000815904540	670771349	/nfs/dbraw/zinc/77/13/49/670771349.db2.gz	IRUFZZQBOKDBDC-NSHDSACASA-N	-1	0	307.354	0.472	20	30		DCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)c2nccn2C)c[nH]1	ZINC000815987404	670777819	/nfs/dbraw/zinc/77/78/19/670777819.db2.gz	CUJOQCHRJILGDE-SECBINFHSA-N	-1	0	300.274	0.740	20	30		DCEDRM
CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000816015040	670779688	/nfs/dbraw/zinc/77/96/88/670779688.db2.gz	WNSLNAYCOANIPI-QWRGUYRKSA-N	-1	0	300.380	0.941	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2ccccc2[O-])CCN1C1CC1	ZINC000849375196	670782816	/nfs/dbraw/zinc/78/28/16/670782816.db2.gz	QIWSCSDYZNHVCX-GFCCVEGCSA-N	-1	0	307.375	0.753	20	30		DCEDRM
Cc1nc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)c(C)o1	ZINC000816094957	670786503	/nfs/dbraw/zinc/78/65/03/670786503.db2.gz	KRTOANVVLORKNE-UHFFFAOYSA-N	-1	0	306.303	0.677	20	30		DCEDRM
CCOC(=O)CON=C(C(=O)[N-]OCC1CCC1)c1cc[nH]n1	ZINC000856350864	670806427	/nfs/dbraw/zinc/80/64/27/670806427.db2.gz	SXNUSFVPVJXWPS-UHFFFAOYSA-N	-1	0	324.337	0.541	20	30		DCEDRM
CCn1ncn([N-]C(=O)c2ccn(-c3cccc(C#N)c3)n2)c1=O	ZINC000816737108	670854471	/nfs/dbraw/zinc/85/44/71/670854471.db2.gz	ZLLGAAAQCUYWOQ-UHFFFAOYSA-N	-1	0	323.316	0.506	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)c(OC)c1	ZINC000850758032	670938705	/nfs/dbraw/zinc/93/87/05/670938705.db2.gz	WWPIEDHPKNAJMJ-GFCCVEGCSA-N	-1	0	301.302	0.652	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)ccc1C#N	ZINC000850843633	670948282	/nfs/dbraw/zinc/94/82/82/670948282.db2.gz	MSRZDRRQKYISRU-NSHDSACASA-N	-1	0	310.331	0.415	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000850847724	670948888	/nfs/dbraw/zinc/94/88/88/670948888.db2.gz	HCFLLKIQVVRBTB-LLVKDONJSA-N	-1	0	311.363	0.357	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000817884524	670950930	/nfs/dbraw/zinc/95/09/30/670950930.db2.gz	QEGGJYWIIFSYIC-ZDUSSCGKSA-N	-1	0	318.329	0.863	20	30		DCEDRM
Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)cc12	ZINC000851050341	670964059	/nfs/dbraw/zinc/96/40/59/670964059.db2.gz	WSMWCUSJUXWAAL-MRVPVSSYSA-N	-1	0	321.362	0.631	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000851087758	670967139	/nfs/dbraw/zinc/96/71/39/670967139.db2.gz	VBULZFBDQIABJQ-ZETCQYMHSA-N	-1	0	309.303	0.888	20	30		DCEDRM
COc1cc(F)ccc1S(=O)(=O)[N-]C(=O)CSCC#N	ZINC000851503474	670994320	/nfs/dbraw/zinc/99/43/20/670994320.db2.gz	HJEFLWGYOWEWKN-UHFFFAOYSA-N	-1	0	318.351	0.896	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)C(COC)COC)OCC	ZINC000851503396	670994410	/nfs/dbraw/zinc/99/44/10/670994410.db2.gz	YGQONFLZCDQOBU-GFCCVEGCSA-N	-1	0	323.411	0.465	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCCN(CC(F)F)CC1	ZINC000819810814	671140300	/nfs/dbraw/zinc/14/03/00/671140300.db2.gz	GMTWIZQUPKRRRC-ZDUSSCGKSA-N	-1	0	303.309	0.790	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(S(C)(=O)=O)nc1	ZINC000819855562	671142090	/nfs/dbraw/zinc/14/20/90/671142090.db2.gz	DAAACATWJKVXOS-LBPRGKRZSA-N	-1	0	311.319	0.428	20	30		DCEDRM
COCCCOc1ccc(C(=O)N[C@@H]2CCN(O)C2=O)cc1	ZINC000820147970	671171754	/nfs/dbraw/zinc/17/17/54/671171754.db2.gz	BPUXTLGQLBOCTD-CYBMUJFWSA-N	-1	0	308.334	0.822	20	30		DCEDRM
CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1CCN(O)C1=O)C1CC1	ZINC000820148763	671172084	/nfs/dbraw/zinc/17/20/84/671172084.db2.gz	JMRSBQLPIONXMV-SNVBAGLBSA-N	-1	0	313.354	0.492	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)N(C)CCOC)CCOCC1	ZINC000820247476	671182053	/nfs/dbraw/zinc/18/20/53/671182053.db2.gz	UBBSVXVNKQNKFR-UHFFFAOYSA-N	-1	0	320.411	0.299	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cn2ccc(C(F)F)n2)CC1	ZINC000860650354	671227336	/nfs/dbraw/zinc/22/73/36/671227336.db2.gz	YZRAKXJATDKYPA-UHFFFAOYSA-N	-1	0	318.305	0.570	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C	ZINC000860720723	671232611	/nfs/dbraw/zinc/23/26/11/671232611.db2.gz	LFYONHIIZPICCN-UONOGXRCSA-N	-1	0	313.375	0.578	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1	ZINC000860720810	671232659	/nfs/dbraw/zinc/23/26/59/671232659.db2.gz	OGIDRSMJLMCVSW-UHFFFAOYSA-N	-1	0	321.358	0.291	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)/C=C\[C@@H]2CCCO2)c1	ZINC000821192232	671260673	/nfs/dbraw/zinc/26/06/73/671260673.db2.gz	IJTRRCZHWZGNPF-BYCRGOAPSA-N	-1	0	307.331	0.493	20	30		DCEDRM
N#Cc1ccccc1/C=C/C(=O)OCc1cn(CC(=O)[O-])nn1	ZINC000821340589	671272439	/nfs/dbraw/zinc/27/24/39/671272439.db2.gz	PHWWQSQLUVCLDP-AATRIKPKSA-N	-1	0	312.285	0.991	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cc(-c3nn[nH]n3)cs2)[n-]c1C#N	ZINC000822846283	671349493	/nfs/dbraw/zinc/34/94/93/671349493.db2.gz	UJVMBPFSMUTXQW-UHFFFAOYSA-N	-1	0	311.290	0.647	20	30		DCEDRM
C#CCNC(=O)CN(CCC(=O)[O-])Cc1cccc(F)c1F	ZINC000825619580	671467736	/nfs/dbraw/zinc/46/77/36/671467736.db2.gz	OLRJORBBDGPAQJ-UHFFFAOYSA-N	-1	0	310.300	0.991	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CCCCS2)[n-]c1-c1nn[nH]n1	ZINC000826382858	671486744	/nfs/dbraw/zinc/48/67/44/671486744.db2.gz	YABKPGMXBZVYCB-SSDOTTSWSA-N	-1	0	304.339	0.686	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000827723173	671536683	/nfs/dbraw/zinc/53/66/83/671536683.db2.gz	GRFJDXALRMPSLA-CYBMUJFWSA-N	-1	0	307.394	0.920	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NCC(=O)[N-]OCC2CC2)c1	ZINC000832845963	671745344	/nfs/dbraw/zinc/74/53/44/671745344.db2.gz	WTHBXSAGLURDCY-UHFFFAOYSA-N	-1	0	309.347	0.294	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1	ZINC000835027802	671786393	/nfs/dbraw/zinc/78/63/93/671786393.db2.gz	DDHDFWXGWKSUDU-NSHDSACASA-N	-1	0	311.359	0.929	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1	ZINC000835227523	671791056	/nfs/dbraw/zinc/79/10/56/671791056.db2.gz	JTFFJMDUBJPQDI-GFCCVEGCSA-N	-1	0	324.402	0.904	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1	ZINC000835248375	671791638	/nfs/dbraw/zinc/79/16/38/671791638.db2.gz	HHMCPNVZUYAJPX-MRVPVSSYSA-N	-1	0	302.739	0.578	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H]1COc2ccccc2O1	ZINC000835371753	671794825	/nfs/dbraw/zinc/79/48/25/671794825.db2.gz	MCHCNLZGUPCRFS-NSHDSACASA-N	-1	0	309.343	0.686	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1CC(F)(F)F	ZINC000835410260	671795370	/nfs/dbraw/zinc/79/53/70/671795370.db2.gz	QTNAOVQCEXGLBE-MRVPVSSYSA-N	-1	0	313.301	0.373	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccnc(OC2CCC2)c1	ZINC000835408694	671795414	/nfs/dbraw/zinc/79/54/14/671795414.db2.gz	MVTNZIOMIJOEBO-UHFFFAOYSA-N	-1	0	309.347	0.986	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@]2(COC)CCOC2)CC1	ZINC000835450055	671796566	/nfs/dbraw/zinc/79/65/66/671796566.db2.gz	VXNICGSPLMZZLM-LBPRGKRZSA-N	-1	0	303.380	0.594	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)CCOC(C)(C)C	ZINC000835916750	671808968	/nfs/dbraw/zinc/80/89/68/671808968.db2.gz	RJVATXWKNLPGNH-MNOVXSKESA-N	-1	0	305.396	0.839	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)OC	ZINC000837931415	671885158	/nfs/dbraw/zinc/88/51/58/671885158.db2.gz	XENYGZFWYLRFJC-GFCCVEGCSA-N	-1	0	324.358	0.353	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)OC	ZINC000841539846	671941299	/nfs/dbraw/zinc/94/12/99/671941299.db2.gz	LZFMXXZEDZEYOS-ZDUSSCGKSA-N	-1	0	324.333	0.682	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C(=O)OC(C)(C)C	ZINC000842328474	672005818	/nfs/dbraw/zinc/00/58/18/672005818.db2.gz	FFLSQWMSHFLIAU-VIFPVBQESA-N	-1	0	318.395	0.960	20	30		DCEDRM
CCCN1C[C@H](C(=O)C(C#N)=C([O-])c2nccn2C)CC1=O	ZINC000842323524	672005897	/nfs/dbraw/zinc/00/58/97/672005897.db2.gz	NMKLRCUFSLHENV-GHMZBOCLSA-N	-1	0	302.334	0.570	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)CCC(=O)OC)OCC	ZINC000842356654	672008108	/nfs/dbraw/zinc/00/81/08/672008108.db2.gz	WYIXNHLZKJTYLB-JTQLQIEISA-N	-1	0	307.368	0.367	20	30		DCEDRM
CSCCO[N-]C(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000842508595	672015246	/nfs/dbraw/zinc/01/52/46/672015246.db2.gz	BBWCGKZUSDYRJC-UHFFFAOYSA-N	-1	0	307.375	0.780	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)c2cn(C(C)C)cn2)nn1	ZINC000842740689	672033304	/nfs/dbraw/zinc/03/33/04/672033304.db2.gz	IVFOTOYSUCFGQD-UHFFFAOYSA-N	-1	0	324.366	0.360	20	30		DCEDRM
C[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)c2C1	ZINC000842755468	672034200	/nfs/dbraw/zinc/03/42/00/672034200.db2.gz	ZQCDNQFWYVPPER-JTQLQIEISA-N	-1	0	322.390	0.829	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1F	ZINC000842874703	672044370	/nfs/dbraw/zinc/04/43/70/672044370.db2.gz	GKORVESAHUXFGZ-SECBINFHSA-N	-1	0	317.313	0.949	20	30		DCEDRM
CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000845519862	672255021	/nfs/dbraw/zinc/25/50/21/672255021.db2.gz	NRBWOZAPUFOHDB-UHFFFAOYSA-N	-1	0	315.395	0.289	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(CC(=O)OC)cc1	ZINC000846148754	672297569	/nfs/dbraw/zinc/29/75/69/672297569.db2.gz	BZZJQALBIOWHKX-UHFFFAOYSA-N	-1	0	306.318	0.965	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2	ZINC000846152256	672297873	/nfs/dbraw/zinc/29/78/73/672297873.db2.gz	RBTIYQKEFJPNKW-BDAKNGLRSA-N	-1	0	319.317	0.967	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(N2CCC2=O)c1	ZINC000846157735	672298287	/nfs/dbraw/zinc/29/82/87/672298287.db2.gz	WNCXSKDUNHKYET-JTQLQIEISA-N	-1	0	303.318	0.984	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccc2c1OCCO2	ZINC000739085456	685326915	/nfs/dbraw/zinc/32/69/15/685326915.db2.gz	HPTNRMKLCJTRBL-UHFFFAOYSA-N	-1	0	312.303	0.057	20	30		DCEDRM
COCc1cncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000793195441	685343825	/nfs/dbraw/zinc/34/38/25/685343825.db2.gz	MJOOMDOHRDRIJR-UHFFFAOYSA-N	-1	0	309.347	0.591	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195418	685343842	/nfs/dbraw/zinc/34/38/42/685343842.db2.gz	LMSMAJIUNLDUCF-LBPRGKRZSA-N	-1	0	300.380	0.965	20	30		DCEDRM
CC[C@H](C)[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813985615	685351436	/nfs/dbraw/zinc/35/14/36/685351436.db2.gz	ICILTMCPWCLSFV-JOYOIKCWSA-N	-1	0	311.363	0.819	20	30		DCEDRM
CCOC1CC(CC(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000813984635	685351478	/nfs/dbraw/zinc/35/14/78/685351478.db2.gz	YSLSGCWCRZXXDI-UHFFFAOYSA-N	-1	0	323.374	0.963	20	30		DCEDRM
CCc1c(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)ccn1C	ZINC000813984536	685351605	/nfs/dbraw/zinc/35/16/05/685351605.db2.gz	UZVUWDPRCWRCOH-UHFFFAOYSA-N	-1	0	318.358	0.973	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)C(=O)OC	ZINC000841540837	685365690	/nfs/dbraw/zinc/36/56/90/685365690.db2.gz	RIZJKKQDOUALDY-ZDUSSCGKSA-N	-1	0	321.354	0.904	20	30		DCEDRM
C=C1CC(C)(C(=O)NCCOCCN(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001571344289	1162713133	/nfs/dbraw/zinc/71/31/33/1162713133.db2.gz	ZCUKIKBAAZGTBQ-UHFFFAOYSA-N	-1	0	323.397	0.431	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc3[nH]cnc3c2)c(=O)[n-]c1=O	ZINC001648932099	1157999088	/nfs/dbraw/zinc/99/90/88/1157999088.db2.gz	PSLUTEPJNXXVPK-UHFFFAOYSA-N	-1	0	324.300	0.127	20	30		DCEDRM
C=CCOCC(=O)NC1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001571732272	1162920304	/nfs/dbraw/zinc/92/03/04/1162920304.db2.gz	ATSMVBZTWROMMR-UHFFFAOYSA-N	-1	0	322.365	0.251	20	30		DCEDRM
C#CCOCCC(=O)N[C@H](C)[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001571767123	1162929223	/nfs/dbraw/zinc/92/92/23/1162929223.db2.gz	USKBMQVBPMIPBV-ZJUUUORDSA-N	-1	0	322.365	0.087	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001746133679	1158288233	/nfs/dbraw/zinc/28/82/33/1158288233.db2.gz	CYTLTLGVEHGKKE-GHMZBOCLSA-N	-1	0	322.365	0.087	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001566635198	1160104438	/nfs/dbraw/zinc/10/44/38/1160104438.db2.gz	WYFJZZHTZGCCBJ-LLVKDONJSA-N	-1	0	309.370	0.184	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCN(CC#N)C1	ZINC001566681425	1160128550	/nfs/dbraw/zinc/12/85/50/1160128550.db2.gz	BJTCMPWSAAJHDW-MRVPVSSYSA-N	-1	0	306.288	0.158	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2cc(F)ccc2O)c(=O)[n-]c1=O	ZINC001567234133	1160281178	/nfs/dbraw/zinc/28/11/78/1160281178.db2.gz	DPIJPJKHQRLHFJ-UHFFFAOYSA-N	-1	0	318.264	0.694	20	30		DCEDRM
C[C@@H](NC(=O)COc1ccccc1C#N)c1nc(C(=O)[O-])n[nH]1	ZINC001573561065	1163502171	/nfs/dbraw/zinc/50/21/71/1163502171.db2.gz	BRICOPGHNJKRLW-MRVPVSSYSA-N	-1	0	315.289	0.631	20	30		DCEDRM
CCn1cc(C(=O)[O-])c(NC(=O)N2CCO[C@@](C)(C#N)C2)n1	ZINC001573846636	1163566179	/nfs/dbraw/zinc/56/61/79/1163566179.db2.gz	GLRIUVICEWMFJH-ZDUSSCGKSA-N	-1	0	307.310	0.748	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO	ZINC001574012747	1163624642	/nfs/dbraw/zinc/62/46/42/1163624642.db2.gz	ROAULTUXAHHNIL-ZYHUDNBSSA-N	-1	0	319.317	0.267	20	30		DCEDRM
Cc1cc(NC(=O)N2CCO[C@@](C)(C(=O)[O-])C2)nn1CCC#N	ZINC001574140892	1163645833	/nfs/dbraw/zinc/64/58/33/1163645833.db2.gz	FQCMUMXVWLDKTP-CQSZACIVSA-N	-1	0	321.337	0.813	20	30		DCEDRM
N#CCCn1ccc(NC(=O)N2C[C@H](C(=O)[O-])C3(COC3)C2)n1	ZINC001574240955	1163671876	/nfs/dbraw/zinc/67/18/76/1163671876.db2.gz	BZWICGRKKFVQSW-SNVBAGLBSA-N	-1	0	319.321	0.362	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO	ZINC001574241804	1163671898	/nfs/dbraw/zinc/67/18/98/1163671898.db2.gz	RRGSENSRRUWHAS-KGLIPLIRSA-N	-1	0	317.345	0.382	20	30		DCEDRM
N#CCc1cccc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)n1	ZINC001574241048	1163672105	/nfs/dbraw/zinc/67/21/05/1163672105.db2.gz	GIKRPGFVZVZCOT-GXSJLCMTSA-N	-1	0	319.321	0.240	20	30		DCEDRM
N#Cc1ccc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)cc1	ZINC001574248976	1163674888	/nfs/dbraw/zinc/67/48/88/1163674888.db2.gz	CQPVLXKWEDBHPK-PWSUYJOCSA-N	-1	0	304.306	0.650	20	30		DCEDRM
N#Cc1cccc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)c1	ZINC001574249047	1163674906	/nfs/dbraw/zinc/67/49/06/1163674906.db2.gz	FDAZIKLOHQKWAG-PWSUYJOCSA-N	-1	0	304.306	0.650	20	30		DCEDRM
N#Cc1cccc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)c1	ZINC001574249049	1163675084	/nfs/dbraw/zinc/67/50/84/1163675084.db2.gz	FDAZIKLOHQKWAG-ZYHUDNBSSA-N	-1	0	304.306	0.650	20	30		DCEDRM
CCOC(=O)CC[C@H](C)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001578245554	1164963716	/nfs/dbraw/zinc/96/37/16/1164963716.db2.gz	WMTQXKAWZMWQAG-QMMMGPOBSA-N	-1	0	316.325	0.672	20	30		DCEDRM
N#CCN[C@@H]1CCC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001581857943	1165890186	/nfs/dbraw/zinc/89/01/86/1165890186.db2.gz	KXSZNEZOHCNLBK-MNOVXSKESA-N	-1	0	314.353	0.349	20	30		DCEDRM
N#Cc1ccc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)nc1	ZINC001581871924	1165896535	/nfs/dbraw/zinc/89/65/35/1165896535.db2.gz	AGCJJGSAEFKZAP-UHFFFAOYSA-N	-1	0	304.277	0.407	20	30		DCEDRM
N#Cc1cccc([N+](=O)[O-])c1Cn1ccc(-c2nnn[n-]2)cc1=O	ZINC001581875511	1165897170	/nfs/dbraw/zinc/89/71/70/1165897170.db2.gz	AZEKVUSRKAHEHX-UHFFFAOYSA-N	-1	0	323.272	0.857	20	30		DCEDRM
N#Cc1ncc(N2CCC(c3nnc[nH]3)CC2)nc1-c1nn[nH]n1	ZINC001581881959	1165901955	/nfs/dbraw/zinc/90/19/55/1165901955.db2.gz	GJJRVDSPOZWCJN-UHFFFAOYSA-N	-1	0	323.324	0.030	20	30		DCEDRM
C=C1CCC(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001585295104	1166414754	/nfs/dbraw/zinc/41/47/54/1166414754.db2.gz	AFFOYDDDBMCKKW-UHFFFAOYSA-N	-1	0	302.334	0.683	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001588334136	1166531794	/nfs/dbraw/zinc/53/17/94/1166531794.db2.gz	PARYEARHBJEVDT-VIFPVBQESA-N	-1	0	316.321	0.044	20	30		DCEDRM
C#Cc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)cc1	ZINC001588373498	1166549027	/nfs/dbraw/zinc/54/90/27/1166549027.db2.gz	NNJIHKRUDYEXRX-UHFFFAOYSA-N	-1	0	323.316	0.259	20	30		DCEDRM
C=C[C@H]1CCCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001588527660	1166559888	/nfs/dbraw/zinc/55/98/88/1166559888.db2.gz	SFMYYULVZXSLHC-JTQLQIEISA-N	-1	0	317.357	0.208	20	30		DCEDRM
C=CCn1nnnc1N(C)CCc1cccc(-c2nn[nH]n2)c1	ZINC001588717306	1166581955	/nfs/dbraw/zinc/58/19/55/1166581955.db2.gz	ZAGOLGCWQZFEQS-UHFFFAOYSA-N	-1	0	311.353	0.718	20	30		DCEDRM
CC(=CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1cnccn1	ZINC001588768089	1166586196	/nfs/dbraw/zinc/58/61/96/1166586196.db2.gz	KPCPKKKSDPFSIR-QPJJXVBHSA-N	-1	0	322.292	0.293	20	30		DCEDRM
C=CCn1c(N2CCO[C@@H](CC(=O)[O-])C2)nnc1C(C)(C)O	ZINC001588905251	1166616169	/nfs/dbraw/zinc/61/61/69/1166616169.db2.gz	URYHHSPOQQUQQK-JTQLQIEISA-N	-1	0	310.354	0.371	20	30		DCEDRM
C[C@@H](CC#N)N(C)Cc1cc(=O)n2[n-]cc(-c3nn[nH]n3)c2n1	ZINC001589786707	1166688004	/nfs/dbraw/zinc/68/80/04/1166688004.db2.gz	BACPRHSKLMAMER-QMMMGPOBSA-N	-1	0	313.325	0.349	20	30		DCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)[nH]1	ZINC001590599249	1166948904	/nfs/dbraw/zinc/94/89/04/1166948904.db2.gz	UIXVNPGJSLATMQ-VIFPVBQESA-N	-1	0	315.337	0.824	20	30		DCEDRM
CCN(Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2)[C@H](C)C#N	ZINC001590722925	1166984375	/nfs/dbraw/zinc/98/43/75/1166984375.db2.gz	URRZAVBCWIRYKR-SNVBAGLBSA-N	-1	0	313.365	0.709	20	30		DCEDRM
CCOC(=O)C(C)(C)Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC001590749633	1167002212	/nfs/dbraw/zinc/00/22/12/1167002212.db2.gz	JUFXGPLPSWVFOM-UHFFFAOYSA-N	-1	0	304.314	0.106	20	30		DCEDRM
CCOC(=O)[C@@H](C)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590750453	1167003946	/nfs/dbraw/zinc/00/39/46/1167003946.db2.gz	KLSIIQWOKMDERT-ZETCQYMHSA-N	-1	0	302.298	0.139	20	30		DCEDRM
COC(=O)c1csc(Cn2cnc(-c3nnn[n-]3)c2C#N)n1	ZINC001591307549	1167207523	/nfs/dbraw/zinc/20/75/23/1167207523.db2.gz	OBWBKDZWNOXNKN-UHFFFAOYSA-N	-1	0	316.306	0.226	20	30		DCEDRM
COc1ccc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)c(O)c1	ZINC001591602377	1167336238	/nfs/dbraw/zinc/33/62/38/1167336238.db2.gz	OVJOBCGKCBJSAS-UHFFFAOYSA-N	-1	0	324.304	0.855	20	30		DCEDRM
CSC1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCC1	ZINC001591689172	1167353593	/nfs/dbraw/zinc/35/35/93/1167353593.db2.gz	CKAWIABRHLWCOY-UHFFFAOYSA-N	-1	0	304.339	0.686	20	30		DCEDRM
Cc1ccn(CN2CCC[C@@](C)(C#N)C2)c(=O)c1-c1nnn[n-]1	ZINC001592267136	1167480755	/nfs/dbraw/zinc/48/07/55/1167480755.db2.gz	NDGSXOFTPVTEOX-HNNXBMFYSA-N	-1	0	313.365	0.920	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)NC1CCCC1	ZINC001592335274	1167491698	/nfs/dbraw/zinc/49/16/98/1167491698.db2.gz	PLENZHSDJWQCKS-UHFFFAOYSA-N	-1	0	300.326	0.302	20	30		DCEDRM
CC1SC(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)=NC1=O	ZINC001592518193	1167548254	/nfs/dbraw/zinc/54/82/54/1167548254.db2.gz	OLQDNTFVHKXLAA-UHFFFAOYSA-N	-1	0	317.294	0.184	20	30		DCEDRM
N#CCc1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1	ZINC001592680337	1167598025	/nfs/dbraw/zinc/59/80/25/1167598025.db2.gz	WLHPHFMHMPFZNX-UHFFFAOYSA-N	-1	0	309.293	0.163	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@@H]2[C@@H]2CCCO2)nc1-c1nnn[n-]1	ZINC001592708451	1167606516	/nfs/dbraw/zinc/60/65/16/1167606516.db2.gz	RPTLNNXDXCAERM-MNOVXSKESA-N	-1	0	312.337	0.676	20	30		DCEDRM
N#Cc1ncc(NCC2(n3cccn3)CC2)nc1-c1nnn[n-]1	ZINC001592709772	1167609476	/nfs/dbraw/zinc/60/94/76/1167609476.db2.gz	BQIUVWCFFZTPNT-UHFFFAOYSA-N	-1	0	308.309	0.326	20	30		DCEDRM
COCCN(CCC(=O)[O-])S(=O)(=O)CC(C)(C)CC#N	ZINC001599236495	1168069785	/nfs/dbraw/zinc/06/97/85/1168069785.db2.gz	DQVXNTNFPLDNFO-UHFFFAOYSA-N	-1	0	306.384	0.679	20	30		DCEDRM
Cc1c(C(=O)O[C@@H]2C[C@H](C(=O)[O-])[N@H+](C)C2)cnn1CCC#N	ZINC001600004832	1168090255	/nfs/dbraw/zinc/09/02/55/1168090255.db2.gz	CZSMFVXNGMZHDZ-ZYHUDNBSSA-N	-1	0	306.322	0.419	20	30		DCEDRM
Cc1cc(NC(=O)Cn2cc(C(=O)[O-])cn2)nn1CCC#N	ZINC001600257120	1168151959	/nfs/dbraw/zinc/15/19/59/1168151959.db2.gz	DMJPPZSNZCOXCE-UHFFFAOYSA-N	-1	0	302.294	0.639	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c(C#N)c1	ZINC001600478434	1168189325	/nfs/dbraw/zinc/18/93/25/1168189325.db2.gz	WDPGSKWAYONYHJ-MNOVXSKESA-N	-1	0	310.331	0.075	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)ccc1C#N	ZINC001600710921	1168260195	/nfs/dbraw/zinc/26/01/95/1168260195.db2.gz	WBFOPFASMASLTH-MWLCHTKSSA-N	-1	0	316.317	0.522	20	30		DCEDRM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](O)C(=O)[O-]	ZINC001600822878	1168476239	/nfs/dbraw/zinc/47/62/39/1168476239.db2.gz	STCQMTLBCUJPQH-JTQLQIEISA-N	-1	0	303.274	0.426	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(Cc2nnn(CC(F)(F)F)n2)CC1	ZINC001601052456	1168577863	/nfs/dbraw/zinc/57/78/63/1168577863.db2.gz	QQCUUMPGTKXSAZ-UHFFFAOYSA-N	-1	0	318.259	0.426	20	30		DCEDRM
N#CC1(CNC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CCC1	ZINC001601056094	1168578109	/nfs/dbraw/zinc/57/81/09/1168578109.db2.gz	BGIUMQWHCJRPAO-AWEZNQCLSA-N	-1	0	306.322	0.695	20	30		DCEDRM
N#CC1(CNC(=O)Cc2ccc(C(=O)[O-])nc2)CCOCC1	ZINC001601056228	1168578047	/nfs/dbraw/zinc/57/80/47/1168578047.db2.gz	DRGVXMILVWQSMB-UHFFFAOYSA-N	-1	0	303.318	0.759	20	30		DCEDRM
N#CC1(NC(=O)COCc2ocnc2C(=O)[O-])CCOCC1	ZINC001601057269	1168578307	/nfs/dbraw/zinc/57/83/07/1168578307.db2.gz	RDNUWEWNPPQVAN-UHFFFAOYSA-N	-1	0	309.278	0.078	20	30		DCEDRM
N#CC1(CNC(=O)NCCn2cc(C(=O)[O-])nn2)CCCCC1	ZINC001601056349	1168578598	/nfs/dbraw/zinc/57/85/98/1168578598.db2.gz	GWWULALTMNMIIR-UHFFFAOYSA-N	-1	0	320.353	0.750	20	30		DCEDRM
N#CC[C@@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])c1ccccc1	ZINC001601060680	1168578862	/nfs/dbraw/zinc/57/88/62/1168578862.db2.gz	LJROEBCAWPYOPC-OLZOCXBDSA-N	-1	0	313.317	0.545	20	30		DCEDRM
N#CC[C@H](NC(=O)N[C@@]1(CC(=O)[O-])CCOC1)C(F)(F)F	ZINC001601062111	1168579026	/nfs/dbraw/zinc/57/90/26/1168579026.db2.gz	MROAKSHDHIQXEF-OIBJUYFYSA-N	-1	0	309.244	0.764	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])C1	ZINC001601058137	1168579043	/nfs/dbraw/zinc/57/90/43/1168579043.db2.gz	MZSBGIUCUKYEQW-AWEZNQCLSA-N	-1	0	323.255	0.927	20	30		DCEDRM
N#CCCCCNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001601065787	1168579730	/nfs/dbraw/zinc/57/97/30/1168579730.db2.gz	RAUXJHAYAYJNHZ-LLVKDONJSA-N	-1	0	307.350	0.510	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12	ZINC001601069602	1168580372	/nfs/dbraw/zinc/58/03/72/1168580372.db2.gz	DFSAXLKZPGSYCK-UTUOFQBUSA-N	-1	0	307.350	0.508	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CN1Cc2ccccc2OC1=O	ZINC001601069159	1168580624	/nfs/dbraw/zinc/58/06/24/1168580624.db2.gz	HKRZVXTZFVQISM-UHFFFAOYSA-N	-1	0	303.274	0.438	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cc(Cl)cnc1Cl	ZINC001601071758	1168581184	/nfs/dbraw/zinc/58/11/84/1168581184.db2.gz	CDDAHTYJZAPHHB-UHFFFAOYSA-N	-1	0	324.145	0.987	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1Cc2ccccc2C(=O)O1	ZINC001601070975	1168581340	/nfs/dbraw/zinc/58/13/40/1168581340.db2.gz	NOTJILOEGCOHNM-LBPRGKRZSA-N	-1	0	302.286	0.595	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)CCO2	ZINC001601072427	1168581508	/nfs/dbraw/zinc/58/15/08/1168581508.db2.gz	PVUIXEKDTUURBK-UHFFFAOYSA-N	-1	0	324.314	0.251	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)c2csc(C(=O)[O-])n2)C1	ZINC001601074777	1168582096	/nfs/dbraw/zinc/58/20/96/1168582096.db2.gz	QFLBKJGNICRSMA-SECBINFHSA-N	-1	0	308.363	0.807	20	30		DCEDRM
N#CCNCCc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1	ZINC001601074722	1168582261	/nfs/dbraw/zinc/58/22/61/1168582261.db2.gz	OGJAISSOMJPKNW-KGLIPLIRSA-N	-1	0	301.346	0.679	20	30		DCEDRM
N#CCc1ccc(C(=O)NCCC(=O)NCCC(=O)[O-])cc1	ZINC001601076743	1168582466	/nfs/dbraw/zinc/58/24/66/1168582466.db2.gz	QEHWBNCFTJSHJU-UHFFFAOYSA-N	-1	0	303.318	0.463	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1	ZINC001601074434	1168582511	/nfs/dbraw/zinc/58/25/11/1168582511.db2.gz	YEOMSOGFJIECLR-NHAGDIPZSA-N	-1	0	300.314	0.920	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)c2ccnc(C(=O)[O-])c2)C1	ZINC001601074977	1168582608	/nfs/dbraw/zinc/58/26/08/1168582608.db2.gz	ZDBOPTVZESZAAV-LLVKDONJSA-N	-1	0	302.334	0.745	20	30		DCEDRM
N#CCNC(=O)CNC(=O)NCCCCC1(C(=O)[O-])CCC1	ZINC001601074605	1168582623	/nfs/dbraw/zinc/58/26/23/1168582623.db2.gz	IJCZPIKIHSHAAI-UHFFFAOYSA-N	-1	0	310.354	0.351	20	30		DCEDRM
N#Cc1cc(CNS(=O)(=O)c2csnc2C(=O)[O-])ccn1	ZINC001601088467	1168583741	/nfs/dbraw/zinc/58/37/41/1168583741.db2.gz	WOOLXLVWTVFLIY-UHFFFAOYSA-N	-1	0	324.343	0.586	20	30		DCEDRM
N#Cc1cc2cccnc2nc1NCCC(=O)NCCC(=O)[O-]	ZINC001601091594	1168584169	/nfs/dbraw/zinc/58/41/69/1168584169.db2.gz	SRTBSGNDTAPQTJ-UHFFFAOYSA-N	-1	0	313.317	0.894	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1Cl	ZINC001601092037	1168584179	/nfs/dbraw/zinc/58/41/79/1168584179.db2.gz	GDAKCFJIQVYRCH-NSHDSACASA-N	-1	0	321.720	0.627	20	30		DCEDRM
N#Cc1cc(N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)ncn1	ZINC001601090133	1168584200	/nfs/dbraw/zinc/58/42/00/1168584200.db2.gz	KYUBZWRIXWYCHH-OAHLLOKOSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1cc(F)cc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1	ZINC001601089529	1168584201	/nfs/dbraw/zinc/58/42/01/1168584201.db2.gz	LJHNWBQBLFSBKH-GDNZZTSVSA-N	-1	0	317.276	0.425	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)cc1	ZINC001601097138	1168584432	/nfs/dbraw/zinc/58/44/32/1168584432.db2.gz	YGJMDQBQLIKWMC-DCAQKATOSA-N	-1	0	310.256	0.674	20	30		DCEDRM
N#Cc1ccc([C@H](C(N)=O)N2CCSC[C@H](C(=O)[O-])C2)cc1	ZINC001601095487	1168584849	/nfs/dbraw/zinc/58/48/49/1168584849.db2.gz	SHHBFCDKLAFXNQ-CHWSQXEVSA-N	-1	0	319.386	0.834	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)NCC2(C(=O)[O-])CC2)c(F)c1	ZINC001601102162	1168585240	/nfs/dbraw/zinc/58/52/40/1168585240.db2.gz	DCSMQFLIDZMWKO-UHFFFAOYSA-N	-1	0	312.322	0.982	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)s1	ZINC001601100530	1168585720	/nfs/dbraw/zinc/58/57/20/1168585720.db2.gz	OUYUBUIANGZECO-LLVKDONJSA-N	-1	0	321.358	0.559	20	30		DCEDRM
N#Cc1ccc(OCC(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)cc1	ZINC001601110343	1168586769	/nfs/dbraw/zinc/58/67/69/1168586769.db2.gz	UCLMTAXICBSFLG-JSGCOSHPSA-N	-1	0	318.329	0.791	20	30		DCEDRM
N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CF)C(=O)[O-]	ZINC001601114911	1168587116	/nfs/dbraw/zinc/58/71/16/1168587116.db2.gz	YNHOKJLKLLZDSU-QMMMGPOBSA-N	-1	0	317.254	0.167	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)C2	ZINC001601114391	1168587138	/nfs/dbraw/zinc/58/71/38/1168587138.db2.gz	RXNYJUHUJZTBNR-ZIAGYGMSSA-N	-1	0	315.329	0.520	20	30		DCEDRM
N#Cc1cccc(N2CCN(C(=O)NC[C@H](F)C(=O)[O-])CC2)n1	ZINC001601121990	1168588111	/nfs/dbraw/zinc/58/81/11/1168588111.db2.gz	CNGCDALAZAJFHG-NSHDSACASA-N	-1	0	321.312	0.208	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1	ZINC001601122562	1168588208	/nfs/dbraw/zinc/58/82/08/1168588208.db2.gz	AKRFBMPRULALGT-QWHCGFSZSA-N	-1	0	324.358	0.298	20	30		DCEDRM
N#Cc1ccccc1NC(=S)NCCn1cc(C(=O)[O-])nn1	ZINC001601125201	1168588391	/nfs/dbraw/zinc/58/83/91/1168588391.db2.gz	DKRLZVAFBLRHTF-UHFFFAOYSA-N	-1	0	316.346	0.835	20	30		DCEDRM
N#Cc1cccnc1NC/C=C/CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001601128439	1168589105	/nfs/dbraw/zinc/58/91/05/1168589105.db2.gz	QNUHCKVEVWEJCK-HHDBNCKJSA-N	-1	0	300.318	0.758	20	30		DCEDRM
N#Cc1cccnc1NCCOC(=O)c1cc(C(=O)[O-])no1	ZINC001601128541	1168590369	/nfs/dbraw/zinc/59/03/69/1168590369.db2.gz	RVNWNZTVIOWDDP-UHFFFAOYSA-N	-1	0	302.246	0.908	20	30		DCEDRM
O=C([O-])c1cnc(N2CCC[C@H](NC(=O)C#CC3CC3)C2)nc1	ZINC001601224140	1168666365	/nfs/dbraw/zinc/66/63/65/1168666365.db2.gz	RDULADLYLNTKSM-ZDUSSCGKSA-N	-1	0	314.345	0.673	20	30		DCEDRM
O=C([O-])Cc1nc(NC(=O)c2cccc(C#CCO)c2)n[nH]1	ZINC001602154094	1169005200	/nfs/dbraw/zinc/00/52/00/1169005200.db2.gz	BYHKMFSGMJCCHV-UHFFFAOYSA-N	-1	0	300.274	0.028	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1ccsc1C(=O)[O-])[C@H]1CCCO1	ZINC001602678085	1169156726	/nfs/dbraw/zinc/15/67/26/1169156726.db2.gz	HXGXTYOHMQEKDR-RKDXNWHRSA-N	-1	0	315.372	0.905	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)C1CCOCC1	ZINC001602678176	1169156920	/nfs/dbraw/zinc/15/69/20/1169156920.db2.gz	KIBXDBLYIYAIKH-LBPRGKRZSA-N	-1	0	324.358	0.487	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1	ZINC001602676537	1169156943	/nfs/dbraw/zinc/15/69/43/1169156943.db2.gz	AGZOJVYLSOHNCF-ZIAGYGMSSA-N	-1	0	320.389	0.962	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(-c2cnn(C)c2)nn1	ZINC001602688580	1169159756	/nfs/dbraw/zinc/15/97/56/1169159756.db2.gz	QTTLLCLYZORXBC-UHFFFAOYSA-N	-1	0	314.305	0.429	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc(COCC)c1)C(=O)[O-]	ZINC001602698595	1169163659	/nfs/dbraw/zinc/16/36/59/1169163659.db2.gz	MTCQQXVQNGEYJM-CYBMUJFWSA-N	-1	0	311.359	0.978	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)C1=Cc2ccccc2OC1)C(=O)[O-]	ZINC001602698314	1169164002	/nfs/dbraw/zinc/16/40/02/1169164002.db2.gz	BONXXJADXJARBZ-GFCCVEGCSA-N	-1	0	307.327	0.816	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1[C@H]2CN(c3ccnc(C(=O)[O-])n3)C[C@H]21	ZINC001602703047	1169165642	/nfs/dbraw/zinc/16/56/42/1169165642.db2.gz	OQOSQTHCESAERQ-YABSGUDNSA-N	-1	0	314.345	0.529	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OCC	ZINC001602708413	1169166563	/nfs/dbraw/zinc/16/65/63/1169166563.db2.gz	QLIHFKHCKPCUHB-UHFFFAOYSA-N	-1	0	304.302	0.862	20	30		DCEDRM
C#CCN1CCC(NS(=O)(=O)c2cc(C(=O)[O-])ccn2)CC1	ZINC001602720754	1169170194	/nfs/dbraw/zinc/17/01/94/1169170194.db2.gz	FZRFDVRWISIMHP-UHFFFAOYSA-N	-1	0	323.374	0.156	20	30		DCEDRM
C#CCOc1ccccc1CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001602734296	1169175902	/nfs/dbraw/zinc/17/59/02/1169175902.db2.gz	KOSILPOKDXCRFO-BETUJISGSA-N	-1	0	323.370	0.981	20	30		DCEDRM
C#CCSCCNC(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001602734754	1169176536	/nfs/dbraw/zinc/17/65/36/1169176536.db2.gz	ZRAKZAXHMZQXFP-JTQLQIEISA-N	-1	0	302.421	0.812	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)NCCSCC(=O)[O-])cc1	ZINC001602738464	1169176677	/nfs/dbraw/zinc/17/66/77/1169176677.db2.gz	BLAAQLXIIPQSNM-UHFFFAOYSA-N	-1	0	306.343	0.540	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)N[C@H](CC1OCCO1)C(=O)[O-])OCC	ZINC001602747533	1169177304	/nfs/dbraw/zinc/17/73/04/1169177304.db2.gz	UQXFIGAKKZKCBT-GHMZBOCLSA-N	-1	0	301.339	0.690	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)Cn1ncc(=O)c2ccccc21)C(=O)[O-]	ZINC001602748653	1169177954	/nfs/dbraw/zinc/17/79/54/1169177954.db2.gz	FGVSYZOGHGRVMT-GFCCVEGCSA-N	-1	0	315.329	0.932	20	30		DCEDRM
C=C(C)CCC(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1	ZINC001602756278	1169179140	/nfs/dbraw/zinc/17/91/40/1169179140.db2.gz	JAZVLDSPYPORIO-UHFFFAOYSA-N	-1	0	316.369	0.305	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001602755563	1169179173	/nfs/dbraw/zinc/17/91/73/1169179173.db2.gz	XVJVJGIFHHMCJA-AEJSXWLSSA-N	-1	0	304.293	0.539	20	30		DCEDRM
C=C(C)COCCNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001602763109	1169181637	/nfs/dbraw/zinc/18/16/37/1169181637.db2.gz	AZFFIIKLGWCXEL-UHFFFAOYSA-N	-1	0	318.337	0.598	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(S(=O)(=O)CC)CC1	ZINC001602775315	1169182579	/nfs/dbraw/zinc/18/25/79/1169182579.db2.gz	BGEWWNGUZLIFFE-UHFFFAOYSA-N	-1	0	303.380	0.833	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOC[C@H]1C(=O)OC(C)(C)C	ZINC001602778293	1169182649	/nfs/dbraw/zinc/18/26/49/1169182649.db2.gz	NHABBKNOUMWSLE-NSHDSACASA-N	-1	0	313.350	0.977	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1	ZINC001602776305	1169182780	/nfs/dbraw/zinc/18/27/80/1169182780.db2.gz	OYMHENAZEFHBJF-GFCCVEGCSA-N	-1	0	315.391	0.833	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCn1nc2n(c1=O)CCCC2	ZINC001602784502	1169183179	/nfs/dbraw/zinc/18/31/79/1169183179.db2.gz	TVPJNLIQEQWXJP-UHFFFAOYSA-N	-1	0	322.365	0.308	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@](F)(C(=O)[O-])C2)n1CC1CC1	ZINC001602821174	1169187689	/nfs/dbraw/zinc/18/76/89/1169187689.db2.gz	WPQPGEHLIFIZJW-HZMBPMFUSA-N	-1	0	310.329	0.911	20	30		DCEDRM
C=CCCCN(CC)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1	ZINC001602840151	1169189942	/nfs/dbraw/zinc/18/99/42/1169189942.db2.gz	QESRQQCKMWKRDQ-UHFFFAOYSA-N	-1	0	305.342	0.046	20	30		DCEDRM
C=CCN1CC[C@@H](OC(=O)c2csc(-c3nn[nH]n3)c2)C1=O	ZINC001602862962	1169194402	/nfs/dbraw/zinc/19/44/02/1169194402.db2.gz	NVNAITOTXOCPBC-SECBINFHSA-N	-1	0	319.346	0.872	20	30		DCEDRM
C=CCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001602855903	1169195028	/nfs/dbraw/zinc/19/50/28/1169195028.db2.gz	IHUTUEYBTVBNFT-VXGBXAGGSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=CCOCCCCOC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001602869388	1169196376	/nfs/dbraw/zinc/19/63/76/1169196376.db2.gz	CORVPILRVUYRSR-JTQLQIEISA-N	-1	0	321.341	0.545	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001602880683	1169198284	/nfs/dbraw/zinc/19/82/84/1169198284.db2.gz	XLEAXVXNJKMNCG-MNOVXSKESA-N	-1	0	319.379	0.621	20	30		DCEDRM
C=CCCN(C)C(=O)C(=O)NCc1ccccc1CC(=O)[O-]	ZINC001602880301	1169198479	/nfs/dbraw/zinc/19/84/79/1169198479.db2.gz	JLMKWPZDEGKQMP-UHFFFAOYSA-N	-1	0	304.346	0.964	20	30		DCEDRM
C=CCN(CC=C)C(=O)C(=O)NCc1ncc(C(=O)[O-])s1	ZINC001602887844	1169199578	/nfs/dbraw/zinc/19/95/78/1169199578.db2.gz	UBADTHJHSNAAJR-UHFFFAOYSA-N	-1	0	309.347	0.658	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CNC(=O)c1ccsc1)C(=O)[O-]	ZINC001602909470	1169202933	/nfs/dbraw/zinc/20/29/33/1169202933.db2.gz	XRHWOPNVHJGTPF-SNVBAGLBSA-N	-1	0	312.347	0.250	20	30		DCEDRM
C=CCOCCNC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001602920729	1169205791	/nfs/dbraw/zinc/20/57/91/1169205791.db2.gz	VFHCZJXGSAJYEM-LLVKDONJSA-N	-1	0	323.353	0.525	20	30		DCEDRM
C=CCn1c(-c2ncc[nH]2)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001602931209	1169210377	/nfs/dbraw/zinc/21/03/77/1169210377.db2.gz	OQLRALPKAVSUQY-JTQLQIEISA-N	-1	0	318.337	0.534	20	30		DCEDRM
C=CCN1C(=O)N=NC1S[C@@H](CCC(=O)[O-])C(=O)OC	ZINC001602936983	1169213073	/nfs/dbraw/zinc/21/30/73/1169213073.db2.gz	LROHMWZDRTZVEZ-ZETCQYMHSA-N	-1	0	301.324	0.668	20	30		DCEDRM
C=CCn1c(CCOC)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001602935475	1169213430	/nfs/dbraw/zinc/21/34/30/1169213430.db2.gz	MPQNRHRHPIZXOT-LLVKDONJSA-N	-1	0	310.354	0.333	20	30		DCEDRM
C[C@@H](C#N)C(=O)N(C)CCNc1ccc(-c2nn[nH]n2)cn1	ZINC001602981508	1169223997	/nfs/dbraw/zinc/22/39/97/1169223997.db2.gz	GPYJMJMENWLAIN-VIFPVBQESA-N	-1	0	300.326	0.292	20	30		DCEDRM
CC(=O)N[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1CCCC1	ZINC001603034927	1169237779	/nfs/dbraw/zinc/23/77/79/1169237779.db2.gz	DZSBEOMEMRQQOM-CYBMUJFWSA-N	-1	0	321.377	0.898	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl	ZINC001603129267	1169250398	/nfs/dbraw/zinc/25/03/98/1169250398.db2.gz	CQXZIPAZUHXIQD-SSDOTTSWSA-N	-1	0	324.724	0.990	20	30		DCEDRM
C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccsc1)n1cnc(C#N)n1	ZINC001603153697	1169256626	/nfs/dbraw/zinc/25/66/26/1169256626.db2.gz	PFDIQQXIDFAXFO-GMSGAONNSA-N	-1	0	305.319	0.714	20	30		DCEDRM
C[C@@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001603161289	1169261258	/nfs/dbraw/zinc/26/12/58/1169261258.db2.gz	PJHBFISIIICUNZ-JQWIXIFHSA-N	-1	0	313.317	0.695	20	30		DCEDRM
C[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001603161286	1169261914	/nfs/dbraw/zinc/26/19/14/1169261914.db2.gz	PJHBFISIIICUNZ-CMPLNLGQSA-N	-1	0	313.317	0.695	20	30		DCEDRM
CC(C)(CO)[NH+]1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001603653106	1169341588	/nfs/dbraw/zinc/34/15/88/1169341588.db2.gz	JWNRHUQOQLWNED-UHFFFAOYSA-N	-1	0	304.350	0.544	20	30		DCEDRM
CC(C)C[C@H](NC(=O)COC(=O)c1ccnc(C#N)c1)C(=O)[O-]	ZINC001603775803	1169386762	/nfs/dbraw/zinc/38/67/62/1169386762.db2.gz	BDQQJGLXUBZHIN-LBPRGKRZSA-N	-1	0	319.317	0.726	20	30		DCEDRM
C[C@](CC(=O)[O-])(NS(=O)(=O)c1ccc(C#N)nc1)C1CC1	ZINC001604091523	1169489666	/nfs/dbraw/zinc/48/96/66/1169489666.db2.gz	ZZSPJXZGBDQRFB-CYBMUJFWSA-N	-1	0	309.347	0.875	20	30		DCEDRM
C[C@@H](O)CCN(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001604384168	1169578968	/nfs/dbraw/zinc/57/89/68/1169578968.db2.gz	NBAZCFNVTNPPCL-SECBINFHSA-N	-1	0	312.347	0.648	20	30		DCEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)C(=O)[O-]	ZINC001604391901	1169581842	/nfs/dbraw/zinc/58/18/42/1169581842.db2.gz	FNUNNKDJRHUEAR-CLAHSXSESA-N	-1	0	313.306	0.833	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)c2ccsc2C(=O)[O-])CCO1	ZINC001604484308	1169602015	/nfs/dbraw/zinc/60/20/15/1169602015.db2.gz	FKMVLZKTLNYSFS-NSHDSACASA-N	-1	0	316.360	0.749	20	30		DCEDRM
C[C@]1(CCC(=O)[O-])NC(=O)N(CN(CCC#N)CCC#N)C1=O	ZINC001604571537	1169621301	/nfs/dbraw/zinc/62/13/01/1169621301.db2.gz	LFAGAKKZQKLKHH-CQSZACIVSA-N	-1	0	321.337	0.249	20	30		DCEDRM
CC[C@@H](C)[C@H](NC(=O)COC(=O)c1cccc(C#N)n1)C(=O)[O-]	ZINC001604935186	1169754360	/nfs/dbraw/zinc/75/43/60/1169754360.db2.gz	HJEGHXNQUBGTDR-RNCFNFMXSA-N	-1	0	319.317	0.726	20	30		DCEDRM
COc1cc(C#N)ccc1Cn1cncc(-c2nnn[n-]2)c1=O	ZINC001605191493	1169860891	/nfs/dbraw/zinc/86/08/91/1169860891.db2.gz	YYCFSOGRUSBBKJ-UHFFFAOYSA-N	-1	0	309.289	0.352	20	30		DCEDRM
COc1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cc1	ZINC001605260598	1169882748	/nfs/dbraw/zinc/88/27/48/1169882748.db2.gz	LSXOLONRNPFDSQ-UHFFFAOYSA-N	-1	0	310.277	0.722	20	30		DCEDRM
CCN(CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)[O-]	ZINC001605411533	1169914781	/nfs/dbraw/zinc/91/47/81/1169914781.db2.gz	PCNCQWJVRLEHSC-UHFFFAOYSA-N	-1	0	300.314	0.693	20	30		DCEDRM
CCOc1cc(C(=O)N[C@@H](C#N)CO)ccc1OCC(=O)[O-]	ZINC001605658100	1169981644	/nfs/dbraw/zinc/98/16/44/1169981644.db2.gz	MDVOEXFBOBJHPP-JTQLQIEISA-N	-1	0	308.290	0.163	20	30		DCEDRM
CCn1c(Br)ncc1C(=O)N(CC#N)CC(=O)[O-]	ZINC001605906074	1170024413	/nfs/dbraw/zinc/02/44/13/1170024413.db2.gz	OASCFIKIGCERMM-UHFFFAOYSA-N	-1	0	315.127	0.716	20	30		DCEDRM
CN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1cccc(C#N)c1	ZINC001605960622	1170038502	/nfs/dbraw/zinc/03/85/02/1170038502.db2.gz	DHSFKNALWXZSRZ-CYBMUJFWSA-N	-1	0	315.329	0.844	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1nc(C2CC2)nn1C	ZINC001606017981	1170051483	/nfs/dbraw/zinc/05/14/83/1170051483.db2.gz	QDGSWWUWIHQRCL-UHFFFAOYSA-N	-1	0	310.325	0.298	20	30		DCEDRM
CN1CC[C@H](C(=O)OCC#Cc2cccc(C(=O)[O-])c2)C1=O	ZINC001606213123	1170117189	/nfs/dbraw/zinc/11/71/89/1170117189.db2.gz	WRIYMUSGGHAKBY-ZDUSSCGKSA-N	-1	0	301.298	0.758	20	30		DCEDRM
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(O)(C(=O)[O-])CC1	ZINC001606341471	1170163640	/nfs/dbraw/zinc/16/36/40/1170163640.db2.gz	JATPKFDCOCPMBF-CYBMUJFWSA-N	-1	0	318.329	0.684	20	30		DCEDRM
N#CC1(CNC(=O)c2cscc2-c2nn[nH]n2)CCOCC1	ZINC001606343730	1170163690	/nfs/dbraw/zinc/16/36/90/1170163690.db2.gz	RUOWUBPZJFDLMD-UHFFFAOYSA-N	-1	0	318.362	0.978	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001606343207	1170163699	/nfs/dbraw/zinc/16/36/99/1170163699.db2.gz	IPUJZXYVESEDNY-MCIONIFRSA-N	-1	0	318.329	0.540	20	30		DCEDRM
N#Cc1nc(NC(=O)Cc2ccnc(F)c2)[n-]c1-c1nn[nH]n1	ZINC001606355684	1170169857	/nfs/dbraw/zinc/16/98/57/1170169857.db2.gz	LLOCRJBQZYQQPK-UHFFFAOYSA-N	-1	0	313.256	0.177	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(C#N)cn2C)C1	ZINC001606391404	1170179642	/nfs/dbraw/zinc/17/96/42/1170179642.db2.gz	HMCWNVYYVTUQOD-GHMZBOCLSA-N	-1	0	319.317	0.375	20	30		DCEDRM
N#Cc1cnc(Cn2cc3c(c(-c4nnn[n-]4)c2=O)CCC3)nc1	ZINC001606390470	1170179808	/nfs/dbraw/zinc/17/98/08/1170179808.db2.gz	XTHUZDLATPZKMJ-UHFFFAOYSA-N	-1	0	320.316	0.227	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(C#N)[nH]c2C)C1	ZINC001606394383	1170182182	/nfs/dbraw/zinc/18/21/82/1170182182.db2.gz	ZNXLDSBVUKJVDN-JOYOIKCWSA-N	-1	0	319.317	0.673	20	30		DCEDRM
N#Cc1ncc(N2CC[C@@H]([C@H]3CCCO3)C2)nc1-c1nnn[n-]1	ZINC001606397611	1170182824	/nfs/dbraw/zinc/18/28/24/1170182824.db2.gz	VLTTXGFHLSDEOG-MWLCHTKSSA-N	-1	0	312.337	0.534	20	30		DCEDRM
N#Cc1ncc(N2CC(Cc3ccoc3)C2)nc1-c1nnn[n-]1	ZINC001606397319	1170183096	/nfs/dbraw/zinc/18/30/96/1170183096.db2.gz	NATSGUNFDCJQFF-UHFFFAOYSA-N	-1	0	308.305	0.800	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@H](c3nnc[nH]3)C2)nc1-c1nnn[n-]1	ZINC001606397118	1170184375	/nfs/dbraw/zinc/18/43/75/1170184375.db2.gz	HPHWFHHTQOPTTQ-QMMMGPOBSA-N	-1	0	323.324	0.030	20	30		DCEDRM
COCCOC(=O)N(C)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001606900755	1170327830	/nfs/dbraw/zinc/32/78/30/1170327830.db2.gz	VDWRCIXYLWGQIC-UHFFFAOYSA-N	-1	0	309.278	0.090	20	30		DCEDRM
COCCOCc1cc(C#N)ccc1N1CC(O)(C(=O)[O-])C1	ZINC001606906346	1170328615	/nfs/dbraw/zinc/32/86/15/1170328615.db2.gz	DBZUJLAWKJVQRF-UHFFFAOYSA-N	-1	0	306.318	0.357	20	30		DCEDRM
CON=Cc1ccc(C(=O)NCCn2cc(C(=O)[O-])nn2)cc1	ZINC001606995886	1170347990	/nfs/dbraw/zinc/34/79/90/1170347990.db2.gz	GRUNLXDQCLTDNA-UHFFFAOYSA-N	-1	0	317.305	0.387	20	30		DCEDRM
COc1cc(S(=O)(=O)N(CC#N)CC(=O)[O-])ccc1F	ZINC001607189733	1170413445	/nfs/dbraw/zinc/41/34/45/1170413445.db2.gz	VMUQEACGZVVOOO-UHFFFAOYSA-N	-1	0	302.283	0.433	20	30		DCEDRM
C[C@H]1CN(C(=O)NCc2ccc(C#N)cn2)C[C@@H](C(=O)[O-])O1	ZINC001607472416	1170462549	/nfs/dbraw/zinc/46/25/49/1170462549.db2.gz	IFVHXKIXLUXIQF-CABZTGNLSA-N	-1	0	304.306	0.337	20	30		DCEDRM
C[C@H]1CN(C(=O)NCc2cccc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001607472681	1170462554	/nfs/dbraw/zinc/46/25/54/1170462554.db2.gz	OJPGAROQUFNLBU-GWCFXTLKSA-N	-1	0	303.318	0.942	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001607564556	1170476800	/nfs/dbraw/zinc/47/68/00/1170476800.db2.gz	LECJOVHRDNYYCX-UHFFFAOYSA-N	-1	0	317.345	0.886	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)ncc1C#N	ZINC001607672814	1170493232	/nfs/dbraw/zinc/49/32/32/1170493232.db2.gz	ZGAWXISPNHUCAR-LLVKDONJSA-N	-1	0	314.301	0.490	20	30		DCEDRM
Cc1[nH]nc(S(=O)(=O)N2CC[C@@](F)(C#N)C2)c1C(=O)[O-]	ZINC001607937767	1170528620	/nfs/dbraw/zinc/52/86/20/1170528620.db2.gz	XIZMVHMYZWKTSC-SNVBAGLBSA-N	-1	0	302.287	0.043	20	30		DCEDRM
Cc1nc(C)c(S(=O)(=O)N(CC#N)CCC(=O)[O-])s1	ZINC001607951896	1170533427	/nfs/dbraw/zinc/53/34/27/1170533427.db2.gz	HOTCHMGQTGJVFB-UHFFFAOYSA-N	-1	0	303.365	0.749	20	30		DCEDRM
Cn1nc(Br)cc1C(=O)N(CC#N)CC(=O)[O-]	ZINC001608139777	1170591755	/nfs/dbraw/zinc/59/17/55/1170591755.db2.gz	RQAGEFDJJTUDFL-UHFFFAOYSA-N	-1	0	301.100	0.233	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C[C@@H]2CCCS2(=O)=O)CC1	ZINC001608171898	1170609135	/nfs/dbraw/zinc/60/91/35/1170609135.db2.gz	SFOHHOUEVLPSEE-JTQLQIEISA-N	-1	0	314.363	0.171	20	30		DCEDRM
N#C[C@@H](CO)NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1	ZINC001608174484	1170609229	/nfs/dbraw/zinc/60/92/29/1170609229.db2.gz	ZVNJFRQUWGJIDI-VIFPVBQESA-N	-1	0	300.274	0.185	20	30		DCEDRM
N#CC1(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)CCOCC1	ZINC001608176160	1170609297	/nfs/dbraw/zinc/60/92/97/1170609297.db2.gz	VNVGLRGKCDHGMV-UHFFFAOYSA-N	-1	0	316.379	0.481	20	30		DCEDRM
N#CCCCCS(=O)(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC001608181669	1170610698	/nfs/dbraw/zinc/61/06/98/1170610698.db2.gz	PIPIMDXHOFPBGN-GHMZBOCLSA-N	-1	0	304.368	0.622	20	30		DCEDRM
N#CCCn1ccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1	ZINC001608183508	1170611682	/nfs/dbraw/zinc/61/16/82/1170611682.db2.gz	OJLJCEIYQZNVKW-ZJUUUORDSA-N	-1	0	307.310	0.096	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccc(N2CCOCC2)cc1	ZINC001608185316	1170611774	/nfs/dbraw/zinc/61/17/74/1170611774.db2.gz	MEMBQBAKPVBBFR-UHFFFAOYSA-N	-1	0	317.345	0.964	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@]1(O)CCc2ccccc2C1	ZINC001608183940	1170611938	/nfs/dbraw/zinc/61/19/38/1170611938.db2.gz	NQGVUBYUYWWBIY-MRXNPFEDSA-N	-1	0	302.330	0.733	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cnccc1C(F)(F)F	ZINC001608184234	1170611976	/nfs/dbraw/zinc/61/19/76/1170611976.db2.gz	UGVLPWKBRGZVSK-UHFFFAOYSA-N	-1	0	323.252	0.699	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)CCCC1CCOCC1	ZINC001608186579	1170613179	/nfs/dbraw/zinc/61/31/79/1170613179.db2.gz	REQMENFTLOMAGC-UHFFFAOYSA-N	-1	0	318.395	0.823	20	30		DCEDRM
N#Cc1cc(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)ccn1	ZINC001608196511	1170613656	/nfs/dbraw/zinc/61/36/56/1170613656.db2.gz	DORLEPVIZHQAJR-UHFFFAOYSA-N	-1	0	307.287	0.723	20	30		DCEDRM
N#Cc1ccc(C(=O)OCCCc2cn(CC(=O)[O-])nn2)[nH]1	ZINC001608199815	1170613745	/nfs/dbraw/zinc/61/37/45/1170613745.db2.gz	PZKKEIXHXRIYDB-UHFFFAOYSA-N	-1	0	303.278	0.352	20	30		DCEDRM
N#Cc1c(CN2CCn3c(CO)nnc3C2)cccc1C(=O)[O-]	ZINC001608190924	1170614105	/nfs/dbraw/zinc/61/41/05/1170614105.db2.gz	LOMDDWSBPPQWPU-UHFFFAOYSA-N	-1	0	313.317	0.356	20	30		DCEDRM
N#Cc1ccc(NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCC2)nn1	ZINC001608208697	1170615779	/nfs/dbraw/zinc/61/57/79/1170615779.db2.gz	LHLOIYPEYUYVHP-GHMZBOCLSA-N	-1	0	315.333	0.520	20	30		DCEDRM
N#Cc1ccccc1/C=C/C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC001608220783	1170618437	/nfs/dbraw/zinc/61/84/37/1170618437.db2.gz	IZVZYHVFYRWSRQ-URWSZGRFSA-N	-1	0	313.313	0.373	20	30		DCEDRM
N#Cc1cnc(NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCC2)cn1	ZINC001608223227	1170619493	/nfs/dbraw/zinc/61/94/93/1170619493.db2.gz	WBNDJELSCUXQHS-QWRGUYRKSA-N	-1	0	315.333	0.520	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1	ZINC001608223344	1170619571	/nfs/dbraw/zinc/61/95/71/1170619571.db2.gz	AMMREKPAHRFVLA-NXEZZACHSA-N	-1	0	321.358	0.522	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001608225192	1170619615	/nfs/dbraw/zinc/61/96/15/1170619615.db2.gz	QEVWHSIBWSMZQF-OIBJUYFYSA-N	-1	0	316.360	0.218	20	30		DCEDRM
N#Cc1ncn(CC(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)n1	ZINC001608225580	1170619919	/nfs/dbraw/zinc/61/99/19/1170619919.db2.gz	SUKUEFRAIAPZLB-UHFFFAOYSA-N	-1	0	320.696	0.213	20	30		DCEDRM
O=C([O-])c1cc(C=NN2C(=S)N=NC2[C@@H]2CCCO2)on1	ZINC001608841346	1170764619	/nfs/dbraw/zinc/76/46/19/1170764619.db2.gz	MPKNBCVASMBWSE-QMMMGPOBSA-N	-1	0	309.307	0.987	20	30		DCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl	ZINC001609018616	1170785566	/nfs/dbraw/zinc/78/55/66/1170785566.db2.gz	BETQQYWSUPPXEH-ZETCQYMHSA-N	-1	0	311.754	0.820	20	30		DCEDRM
C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1	ZINC001609019158	1170785605	/nfs/dbraw/zinc/78/56/05/1170785605.db2.gz	OKPICGYLYMPXBS-LLVKDONJSA-N	-1	0	312.333	0.723	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])[C@H]1CCCO1	ZINC001609057611	1170794224	/nfs/dbraw/zinc/79/42/24/1170794224.db2.gz	ATBOIUYVXDNVBW-YVECIDJPSA-N	-1	0	315.391	0.730	20	30		DCEDRM
C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001609076461	1170800773	/nfs/dbraw/zinc/80/07/73/1170800773.db2.gz	MWLZMFXXMJDCPF-LBPRGKRZSA-N	-1	0	319.357	0.904	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)OCC)o1)C(=O)[O-]	ZINC001609089666	1170803309	/nfs/dbraw/zinc/80/33/09/1170803309.db2.gz	QJAKCBKAMOFZBD-MRVPVSSYSA-N	-1	0	315.303	0.211	20	30		DCEDRM
C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)N(C)CCC#N	ZINC001609132201	1170822630	/nfs/dbraw/zinc/82/26/30/1170822630.db2.gz	MIEUAXMYYKKSSM-QMMMGPOBSA-N	-1	0	318.293	0.377	20	30		DCEDRM
CC1(C)CC[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)O1	ZINC001609145069	1170825361	/nfs/dbraw/zinc/82/53/61/1170825361.db2.gz	YTUJMBHTIRUEEQ-SSDOTTSWSA-N	-1	0	302.298	0.358	20	30		DCEDRM
C#CCOCCNC(=O)NCCc1ccc(C(=O)[O-])cc1OC	ZINC001609167637	1170836665	/nfs/dbraw/zinc/83/66/65/1170836665.db2.gz	ODNVXRLIBYYNRE-UHFFFAOYSA-N	-1	0	320.345	0.885	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)NC1(C(=O)[O-])CC1	ZINC001609174992	1170845799	/nfs/dbraw/zinc/84/57/99/1170845799.db2.gz	UBSHUFRDLVSLQO-UHFFFAOYSA-N	-1	0	302.286	0.371	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC001609267018	1170903642	/nfs/dbraw/zinc/90/36/42/1170903642.db2.gz	IGIPCMDRRNEREF-LLVKDONJSA-N	-1	0	306.318	0.949	20	30		DCEDRM
Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N[C@@H](C)C#N	ZINC001609378309	1170957053	/nfs/dbraw/zinc/95/70/53/1170957053.db2.gz	VSHXADWOFRRTRR-ZETCQYMHSA-N	-1	0	315.337	0.545	20	30		DCEDRM
C=CCN1CC[C@H](n2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)C1=O	ZINC001609398794	1170967789	/nfs/dbraw/zinc/96/77/89/1170967789.db2.gz	ITPYWDHYMVHHNS-VIFPVBQESA-N	-1	0	307.262	0.414	20	30		DCEDRM
Cc1cc(OC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)ccc1C#N	ZINC001609410578	1170969432	/nfs/dbraw/zinc/96/94/32/1170969432.db2.gz	ZUECIOZVKGVKHA-SECBINFHSA-N	-1	0	324.304	0.805	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCC2(CC#N)CC2)C1	ZINC001609814838	1171092981	/nfs/dbraw/zinc/09/29/81/1171092981.db2.gz	MTDPCXVVVMMTBR-CQSZACIVSA-N	-1	0	307.350	0.510	20	30		DCEDRM
CC[C@H](C(=O)[O-])C(=O)OCC(=O)NCc1ccc(C#N)cc1	ZINC001609891849	1171117254	/nfs/dbraw/zinc/11/72/54/1171117254.db2.gz	LSFQYIIOXAGFSX-GFCCVEGCSA-N	-1	0	304.302	0.828	20	30		DCEDRM
CC[C@@](COC)(NC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001609923389	1171122637	/nfs/dbraw/zinc/12/26/37/1171122637.db2.gz	WMWITJVZKKCYHU-AWEZNQCLSA-N	-1	0	306.322	0.361	20	30		DCEDRM
CCCCC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC001609967183	1171128872	/nfs/dbraw/zinc/12/88/72/1171128872.db2.gz	LWSAQQAUCQFOTK-MNOVXSKESA-N	-1	0	305.400	0.946	20	30		DCEDRM
CCOc1cc(C(=O)NCC#CCO)ccc1OCC(=O)[O-]	ZINC001610039287	1171144827	/nfs/dbraw/zinc/14/48/27/1171144827.db2.gz	MAXAVCVBJLUDST-UHFFFAOYSA-N	-1	0	307.302	0.274	20	30		DCEDRM
CS(=O)(=O)[C@H]1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC001610373351	1171225870	/nfs/dbraw/zinc/22/58/70/1171225870.db2.gz	SRNRAPGCCZLJAF-QWHCGFSZSA-N	-1	0	308.359	0.803	20	30		DCEDRM
Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC[C@@](O)(CC#N)C1	ZINC001610409067	1171232152	/nfs/dbraw/zinc/23/21/52/1171232152.db2.gz	WVHBOJUGIUGEPR-AWEZNQCLSA-N	-1	0	324.358	0.732	20	30		DCEDRM
Cc1oc(CNC(=O)C(=O)NCC2(CC#N)CC2)cc1C(=O)[O-]	ZINC001610583802	1171260077	/nfs/dbraw/zinc/26/00/77/1171260077.db2.gz	WVACLYFMZPXTMO-UHFFFAOYSA-N	-1	0	319.317	0.713	20	30		DCEDRM
Cn1ccc([C@H](NC(=O)c2ccc(C#N)c(O)c2)C(=O)[O-])n1	ZINC001610609756	1171267321	/nfs/dbraw/zinc/26/73/21/1171267321.db2.gz	OIQWMIQYGTWZKN-LBPRGKRZSA-N	-1	0	300.274	0.553	20	30		DCEDRM
N#C[C@@H]1CN(CN2Cc3ccc(C(=O)[O-])cc3C2=O)CCO1	ZINC001610620561	1171270590	/nfs/dbraw/zinc/27/05/90/1171270590.db2.gz	IYGJREGFGJKMAO-GFCCVEGCSA-N	-1	0	301.302	0.522	20	30		DCEDRM
N#CCN1CCN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1	ZINC001610622648	1171271834	/nfs/dbraw/zinc/27/18/34/1171271834.db2.gz	DNDHMZZSJXSHNN-RYUDHWBXSA-N	-1	0	315.395	0.101	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CN2CC[C@@](F)(C(=O)[O-])C2)cc1	ZINC001610628132	1171272352	/nfs/dbraw/zinc/27/23/52/1171272352.db2.gz	PIIDQCCZVKFHCF-HNNXBMFYSA-N	-1	0	305.309	0.673	20	30		DCEDRM
N#Cc1cccc(CN2CCC[C@H]2C(=O)NCC(=O)[O-])c1F	ZINC001610631185	1171272518	/nfs/dbraw/zinc/27/25/18/1171272518.db2.gz	QXOCWODNOHXMBI-LBPRGKRZSA-N	-1	0	305.309	0.863	20	30		DCEDRM
N#Cc1cccc(NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)n1	ZINC001610631059	1171272553	/nfs/dbraw/zinc/27/25/53/1171272553.db2.gz	MYVWYHAAKRNLNX-LBPRGKRZSA-N	-1	0	304.306	0.643	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)CCCC(=O)[O-])CC2)nc1	ZINC001610628829	1171272639	/nfs/dbraw/zinc/27/26/39/1171272639.db2.gz	QNGKKSXZKKJZSR-UHFFFAOYSA-N	-1	0	302.334	0.857	20	30		DCEDRM
N#Cc1cccc(OCCCCC(=O)N[C@H](CO)C(=O)[O-])c1	ZINC001610632113	1171272783	/nfs/dbraw/zinc/27/27/83/1171272783.db2.gz	DDXXGTKFGDRQJV-CYBMUJFWSA-N	-1	0	306.318	0.669	20	30		DCEDRM
N#Cc1cnn2ccn(CC(=O)NC3(C(=O)[O-])CCCCC3)c12	ZINC001610633986	1171273406	/nfs/dbraw/zinc/27/34/06/1171273406.db2.gz	GUJXPTYDHOXQBZ-UHFFFAOYSA-N	-1	0	315.333	0.911	20	30		DCEDRM
N#Cc1cccc(OCC(=O)NCC2(C(=O)[O-])CCOCC2)c1	ZINC001610632571	1171273909	/nfs/dbraw/zinc/27/39/09/1171273909.db2.gz	QYCWCPDPMZUQFL-UHFFFAOYSA-N	-1	0	318.329	0.935	20	30		DCEDRM
N#Cc1cccc([N+](=O)[O-])c1N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001610632776	1171274144	/nfs/dbraw/zinc/27/41/44/1171274144.db2.gz	WMPROFGGXXIRHO-UHFFFAOYSA-N	-1	0	314.261	0.817	20	30		DCEDRM
O=C([O-])c1cc(C=NN=C2NS(=O)(=O)c3ccccc32)on1	ZINC001610811359	1171333077	/nfs/dbraw/zinc/33/30/77/1171333077.db2.gz	SHRAKZUDPRGMQJ-UHFFFAOYSA-N	-1	0	320.286	0.445	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1	ZINC000042313161	1171523576	/nfs/dbraw/zinc/52/35/76/1171523576.db2.gz	IDTHRQZENXKIPV-UHFFFAOYSA-N	-1	0	313.360	0.687	20	30		DCEDRM
C[C@@]1(CC(=O)Nc2cc(C#N)ccc2[O-])CCS(=O)(=O)N1	ZINC001633077220	1171632834	/nfs/dbraw/zinc/63/28/34/1171632834.db2.gz	OQIRVBIJKMNKJP-ZDUSSCGKSA-N	-1	0	309.347	0.674	20	30		DCEDRM
COCCCOC1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001634915704	1171688436	/nfs/dbraw/zinc/68/84/36/1171688436.db2.gz	KIJILUMDENEOBY-UHFFFAOYSA-N	-1	0	305.334	0.845	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2cc3ccccn3n2)c(=O)[n-]c1=O	ZINC001636343725	1171734302	/nfs/dbraw/zinc/73/43/02/1171734302.db2.gz	ZWZGQPDJOORZAN-UHFFFAOYSA-N	-1	0	324.300	0.497	20	30		DCEDRM
N#CC1(NC(=O)c2c[n-]n3c2nccc3=O)CCSCC1	ZINC001636414273	1171736399	/nfs/dbraw/zinc/73/63/99/1171736399.db2.gz	WCRXDPIRDHTSIZ-UHFFFAOYSA-N	-1	0	303.347	0.542	20	30		DCEDRM
N#C[C@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CCCC1	ZINC001636733354	1171747107	/nfs/dbraw/zinc/74/71/07/1171747107.db2.gz	XJUOCZQOGYRPOI-ZDUSSCGKSA-N	-1	0	311.349	0.887	20	30		DCEDRM
C=CCO[N-]C(=O)CNS(=O)(=O)c1ccc(Cl)s1	ZINC001636770160	1171749086	/nfs/dbraw/zinc/74/90/86/1171749086.db2.gz	BIRWNGJKQRDLIF-UHFFFAOYSA-N	-1	0	310.784	0.914	20	30		DCEDRM
Cc1ccc([N+](=O)[O-])cc1Oc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001639289718	1171830403	/nfs/dbraw/zinc/83/04/03/1171830403.db2.gz	HIPNRULUXBUQNK-UHFFFAOYSA-N	-1	0	302.246	0.954	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCn3c(cc4ccccc43)C2)c(C#N)c1=O	ZINC001639959857	1171857222	/nfs/dbraw/zinc/85/72/22/1171857222.db2.gz	DBFBMYLCDLRHCW-UHFFFAOYSA-N	-1	0	321.340	0.920	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C=C2CCSCC2)c(=O)[n-]c1=O	ZINC001641033471	1171903184	/nfs/dbraw/zinc/90/31/84/1171903184.db2.gz	BORGPRKCWRKSMM-UHFFFAOYSA-N	-1	0	320.374	0.390	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)nn1	ZINC001641602428	1171921830	/nfs/dbraw/zinc/92/18/30/1171921830.db2.gz	VUXIYDSQHBUAQI-CYBMUJFWSA-N	-1	0	324.348	0.887	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)CNC(=O)c1cnc2ccccc2c1O	ZINC001644295948	1172001913	/nfs/dbraw/zinc/00/19/13/1172001913.db2.gz	KJROYNIFCGJSRI-JTQLQIEISA-N	-1	0	315.329	0.880	20	30		DCEDRM
N#CC1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC2CC2)CC1	ZINC001646945339	1172594662	/nfs/dbraw/zinc/59/46/62/1172594662.db2.gz	LOAPMNVOUJTXGR-UHFFFAOYSA-N	-1	0	313.365	0.652	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)CCc2nnc[nH]2)n1	ZINC001647109275	1172679286	/nfs/dbraw/zinc/67/92/86/1172679286.db2.gz	SULAILYSMJUPSI-VIFPVBQESA-N	-1	0	319.346	0.922	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N(C)CC(=O)NC(C)C)cc1C#N	ZINC001647131858	1172693037	/nfs/dbraw/zinc/69/30/37/1172693037.db2.gz	HCEUZKBCDBOCCJ-UHFFFAOYSA-N	-1	0	322.390	0.977	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)c2cn(C)nn2)n1	ZINC001647196900	1172734730	/nfs/dbraw/zinc/73/47/30/1172734730.db2.gz	MZJLTTBIKXESAJ-MRVPVSSYSA-N	-1	0	305.319	0.613	20	30		DCEDRM
Cn1nc2ccccc2c1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC001649795331	1173229328	/nfs/dbraw/zinc/22/93/28/1173229328.db2.gz	WATYKODRSUWLEX-UHFFFAOYSA-N	-1	0	318.358	0.937	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)OC	ZINC001651069368	1173739419	/nfs/dbraw/zinc/73/94/19/1173739419.db2.gz	QFVKNXRNGSGRQT-LLVKDONJSA-N	-1	0	315.285	0.325	20	30		DCEDRM
CNC(=O)Cn1cc([N-]c2ncc(C#N)cc2[N+](=O)[O-])cn1	ZINC001655004451	1173813792	/nfs/dbraw/zinc/81/37/92/1173813792.db2.gz	QJWHOYHJJGIFRM-UHFFFAOYSA-N	-1	0	301.266	0.548	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCOc2cncc(Cl)c2)c(C#N)c1=O	ZINC001655595726	1173824575	/nfs/dbraw/zinc/82/45/75/1173824575.db2.gz	KMFRASCINDZNIW-UHFFFAOYSA-N	-1	0	321.724	0.485	20	30		DCEDRM
C#CCn1cc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cn1	ZINC001655956769	1173831886	/nfs/dbraw/zinc/83/18/86/1173831886.db2.gz	UGXNNPZDFLRKKB-UHFFFAOYSA-N	-1	0	321.318	0.298	20	30		DCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001665169526	1174488087	/nfs/dbraw/zinc/48/80/87/1174488087.db2.gz	HPTSXRDIRPFQNR-VIFPVBQESA-N	-1	0	316.335	0.906	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)Oc2cccnc2C#N)[n-]n1	ZINC001669025773	1174878369	/nfs/dbraw/zinc/87/83/69/1174878369.db2.gz	ZNVSYPQLMPKUSY-UHFFFAOYSA-N	-1	0	308.275	0.231	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@H]2CC=CCC2)c(=O)[n-]c1=O	ZINC001669294526	1174917431	/nfs/dbraw/zinc/91/74/31/1174917431.db2.gz	QFLPVLKFLIUTDU-NSHDSACASA-N	-1	0	303.322	0.228	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCCNC(=O)C#CC2CC2)c1[O-]	ZINC001679264166	1175714937	/nfs/dbraw/zinc/71/49/37/1175714937.db2.gz	LRWFQKFBGYEMOM-JTQLQIEISA-N	-1	0	318.377	0.852	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC001684449061	1176000039	/nfs/dbraw/zinc/00/00/39/1176000039.db2.gz	YHUKTCSQYVMVEL-UHFFFAOYSA-N	-1	0	304.306	0.008	20	30		DCEDRM
CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CCN1Cc1n[nH]c(=O)[n-]1	ZINC001691973676	1177394099	/nfs/dbraw/zinc/39/40/99/1177394099.db2.gz	OPTKKACWENGWGL-NWDGAFQWSA-N	-1	0	305.382	0.639	20	30		DCEDRM
CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)c2cnco2)n1	ZINC001692132645	1177422323	/nfs/dbraw/zinc/42/23/23/1177422323.db2.gz	CKFAVWCHSMVADA-UHFFFAOYSA-N	-1	0	301.306	0.213	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)Cc2cscn2)n1	ZINC001692132599	1177422493	/nfs/dbraw/zinc/42/24/93/1177422493.db2.gz	AWEZBZBJJNEQDE-UHFFFAOYSA-N	-1	0	317.374	0.220	20	30		DCEDRM
CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)C#CC1CC1	ZINC001704635569	1180097501	/nfs/dbraw/zinc/09/75/01/1180097501.db2.gz	FONMLEPQIBQPDI-NSHDSACASA-N	-1	0	304.350	0.462	20	30		DCEDRM
N#CCN1CC[C@@H](CCNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001714883461	1181586150	/nfs/dbraw/zinc/58/61/50/1181586150.db2.gz	NAEGOJUCPSJSHS-SNVBAGLBSA-N	-1	0	315.333	0.894	20	30		DCEDRM
C=CCCCCCN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001714939031	1181609562	/nfs/dbraw/zinc/60/95/62/1181609562.db2.gz	YTQBGESXPLSDDS-UHFFFAOYSA-N	-1	0	307.354	0.443	20	30		DCEDRM
CC#CCCCC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001715291558	1181763470	/nfs/dbraw/zinc/76/34/70/1181763470.db2.gz	ISSDUHYDXUPJEC-LBPRGKRZSA-N	-1	0	321.381	0.021	20	30		DCEDRM
C[C@H](CCNCC#N)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001715708753	1181950917	/nfs/dbraw/zinc/95/09/17/1181950917.db2.gz	PMRCZGPRRZXSEG-MRVPVSSYSA-N	-1	0	308.304	0.451	20	30		DCEDRM
C#CCN(C(=O)CCC=C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001716803843	1182530258	/nfs/dbraw/zinc/53/02/58/1182530258.db2.gz	OGSIKELKJLCBGM-UHFFFAOYSA-N	-1	0	317.393	0.903	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001721106353	1183832129	/nfs/dbraw/zinc/83/21/29/1183832129.db2.gz	LMZJVLLGHCEJLL-SECBINFHSA-N	-1	0	323.353	0.073	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@@H](C)N(C)CC#N)cc1=O	ZINC001725174328	1184707212	/nfs/dbraw/zinc/70/72/12/1184707212.db2.gz	QPCSERUEDWRYDD-GFCCVEGCSA-N	-1	0	307.398	0.335	20	30		DCEDRM
N#CCNC1CCC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1	ZINC001731570231	1185394324	/nfs/dbraw/zinc/39/43/24/1185394324.db2.gz	WWFPFTMKNZTDND-UHFFFAOYSA-N	-1	0	322.369	0.010	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001737010784	1187214999	/nfs/dbraw/zinc/21/49/99/1187214999.db2.gz	DBZYMIBAUVQNDE-NSHDSACASA-N	-1	0	322.365	0.299	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H]1C	ZINC001738919886	1187698659	/nfs/dbraw/zinc/69/86/59/1187698659.db2.gz	IYUAQAZBRCTMLT-QWRGUYRKSA-N	-1	0	322.365	0.346	20	30		DCEDRM
C=CC(C)(C)C(=O)N(C)C[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001739051611	1187734119	/nfs/dbraw/zinc/73/41/19/1187734119.db2.gz	MOEAQPAOPHRMGD-JTQLQIEISA-N	-1	0	324.381	0.185	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001747938240	1188312614	/nfs/dbraw/zinc/31/26/14/1188312614.db2.gz	LKLVJCQWCIROGB-OAHLLOKOSA-N	-1	0	322.365	0.034	20	30		DCEDRM
N#CCNC[C@@H]1CCC[C@@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001753897730	1188674526	/nfs/dbraw/zinc/67/45/26/1188674526.db2.gz	NOMVEPVINLPMSI-UWVGGRQHSA-N	-1	0	315.333	0.940	20	30		DCEDRM
C=CCN1CC(CCO)(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001755337391	1189087090	/nfs/dbraw/zinc/08/70/90/1189087090.db2.gz	DXCOUWKAHBFDCN-UHFFFAOYSA-N	-1	0	318.333	0.281	20	30		DCEDRM
C[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1CN(CC#N)C1	ZINC001755392075	1189100382	/nfs/dbraw/zinc/10/03/82/1189100382.db2.gz	PUJRDLFXWJUBCC-QMMMGPOBSA-N	-1	0	320.315	0.404	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC	ZINC001212347048	751613679	/nfs/dbraw/zinc/61/36/79/751613679.db2.gz	QECQTJGCEUOXFB-GHMZBOCLSA-N	-1	0	309.370	0.182	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)c1[O-]	ZINC001058878104	748416191	/nfs/dbraw/zinc/41/61/91/748416191.db2.gz	SEVHFTSVFSZIQO-VIFPVBQESA-N	-1	0	313.321	0.412	20	30		DCEDRM
C[C@H]1[C@H](Nc2cc(C#N)cc3[nH]ccc32)C(=O)N1S(=O)(=O)[O-]	ZINC001167861146	748444641	/nfs/dbraw/zinc/44/46/41/748444641.db2.gz	GADOFHFDZKBXHM-MADCSZMMSA-N	-1	0	320.330	0.854	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cncc(OC)c1	ZINC001226100487	748794099	/nfs/dbraw/zinc/79/40/99/748794099.db2.gz	UBTYIHSPIQAKJK-GFCCVEGCSA-N	-1	0	303.336	0.928	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(Cl)ncn1	ZINC001226644217	748927799	/nfs/dbraw/zinc/92/77/99/748927799.db2.gz	JCPUCQAPVPASMD-QMMMGPOBSA-N	-1	0	308.743	0.968	20	30		DCEDRM
C=C1CCC(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001043753117	752375961	/nfs/dbraw/zinc/37/59/61/752375961.db2.gz	ZVAJLBCHIHQBKN-UHFFFAOYSA-N	-1	0	305.382	0.899	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001107976931	752686080	/nfs/dbraw/zinc/68/60/80/752686080.db2.gz	XNMZEGMPYILBHQ-OAHLLOKOSA-N	-1	0	323.397	0.574	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C	ZINC001071914408	762224087	/nfs/dbraw/zinc/22/40/87/762224087.db2.gz	PYKFTOSGHOTCLL-KOLCDFICSA-N	-1	0	322.365	0.203	20	30		DCEDRM
C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1ncccc1O	ZINC001061523598	754012275	/nfs/dbraw/zinc/01/22/75/754012275.db2.gz	RQSGQWISDOSRFB-LBPRGKRZSA-N	-1	0	319.361	0.711	20	30		DCEDRM
C=CCOCC(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CCC1	ZINC001062806328	754984087	/nfs/dbraw/zinc/98/40/87/754984087.db2.gz	HCVUJARWUJZYDV-UHFFFAOYSA-N	-1	0	322.365	0.395	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2ccncc2C#N)c1[O-]	ZINC001097804905	755750461	/nfs/dbraw/zinc/75/04/61/755750461.db2.gz	RWRRLVMAEZPICN-MRVPVSSYSA-N	-1	0	300.322	0.343	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCN(c3ccncc3C#N)CC2)c1[O-]	ZINC001055776021	756913119	/nfs/dbraw/zinc/91/31/19/756913119.db2.gz	QRYRBFZIKODKPR-UHFFFAOYSA-N	-1	0	312.333	0.653	20	30		DCEDRM
CN(C[C@@H]1CCN1CC#N)C(=O)c1cnc(C2CC2)[nH]c1=O	ZINC001085859811	759403307	/nfs/dbraw/zinc/40/33/07/759403307.db2.gz	JPCDRMLXZPDLNC-NSHDSACASA-N	-1	0	301.350	0.729	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CNc2nccnc2C#N)c1[O-]	ZINC001108311655	760370859	/nfs/dbraw/zinc/37/08/59/760370859.db2.gz	LBLHXMMMQOIQNQ-ZETCQYMHSA-N	-1	0	301.310	0.316	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001070703251	761404652	/nfs/dbraw/zinc/40/46/52/761404652.db2.gz	MDVPVWHBKQWQRS-GFCCVEGCSA-N	-1	0	318.377	0.804	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@H](C)Nc2cncc(C#N)n2)c1[O-]	ZINC001098984627	762772186	/nfs/dbraw/zinc/77/21/86/762772186.db2.gz	NVCIPQCDXDSJAH-QMMMGPOBSA-N	-1	0	315.337	0.706	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C)c2nc(C)cc(C#N)n2)c1[O-]	ZINC001100014200	763218265	/nfs/dbraw/zinc/21/82/65/763218265.db2.gz	AVQQGTDVLTWEEB-UHFFFAOYSA-N	-1	0	315.337	0.260	20	30		DCEDRM
C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001100021055	763223565	/nfs/dbraw/zinc/22/35/65/763223565.db2.gz	WXDJLWCKRHAQOO-GHMZBOCLSA-N	-1	0	323.397	0.164	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cc1	ZINC001117218777	766004895	/nfs/dbraw/zinc/00/48/95/766004895.db2.gz	NQIAJPGPUFKRDE-CYBMUJFWSA-N	-1	0	303.318	0.259	20	30		DCEDRM
CC(C)(C)O[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC001117679395	766125122	/nfs/dbraw/zinc/12/51/22/766125122.db2.gz	XXAWSALYKHYVTR-UHFFFAOYSA-N	-1	0	311.363	0.683	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)CC(=O)[O-]	ZINC001118058718	766212580	/nfs/dbraw/zinc/21/25/80/766212580.db2.gz	ZMYUEOXPEGJVEP-SECBINFHSA-N	-1	0	322.292	0.756	20	30		DCEDRM
C#CC[NH+]1CCC(C(=O)N2CCC[C@@]2(COC)C(=O)[O-])CC1	ZINC001119581875	766739177	/nfs/dbraw/zinc/73/91/77/766739177.db2.gz	OGXUGSGWQWXZQZ-MRXNPFEDSA-N	-1	0	308.378	0.424	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-]	ZINC001119645463	766759901	/nfs/dbraw/zinc/75/99/01/766759901.db2.gz	SYTYGOVLYJYOAH-OLZOCXBDSA-N	-1	0	308.378	0.613	20	30		DCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CC(C)(OC)C1	ZINC001121539681	767588994	/nfs/dbraw/zinc/58/89/94/767588994.db2.gz	TUTBHJOCKIGEFZ-UHFFFAOYSA-N	-1	0	304.354	0.795	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001140964421	768558247	/nfs/dbraw/zinc/55/82/47/768558247.db2.gz	CSUHJQBUZJZIFQ-NEPJUHHUSA-N	-1	0	316.317	0.340	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1	ZINC001141980611	768605487	/nfs/dbraw/zinc/60/54/87/768605487.db2.gz	YUPOULPDOJMHTO-UHFFFAOYSA-N	-1	0	317.305	0.244	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCNc2snc(C)c2C#N)c1[O-]	ZINC001093585184	768638848	/nfs/dbraw/zinc/63/88/48/768638848.db2.gz	FWGSJVUWFMEZMV-UHFFFAOYSA-N	-1	0	306.351	0.902	20	30		DCEDRM
COC(=O)[C@H]1CN(C(C)=O)CCN1Cc1cc(C#N)ccc1[O-]	ZINC001232677822	769331302	/nfs/dbraw/zinc/33/13/02/769331302.db2.gz	KOMQETGTISMTSV-CQSZACIVSA-N	-1	0	317.345	0.470	20	30		DCEDRM
Cc1cccc(O)c1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001152169684	769498996	/nfs/dbraw/zinc/49/89/96/769498996.db2.gz	XLUCTSQDZVDKSM-UHFFFAOYSA-N	-1	0	314.301	0.863	20	30		DCEDRM
CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)C#CC(C)(C)C	ZINC001234206953	769583874	/nfs/dbraw/zinc/58/38/74/769583874.db2.gz	WLSKMHLHRMLEEP-NSHDSACASA-N	-1	0	305.382	0.593	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nccc(Cl)n1	ZINC001234538492	769684309	/nfs/dbraw/zinc/68/43/09/769684309.db2.gz	QNITWVSMKGJGOH-MRVPVSSYSA-N	-1	0	308.743	0.968	20	30		DCEDRM
C=C[C@@H]1C[C@]1(NC(=O)c1ccn(C)c1CC(=O)[O-])C(=O)OCC	ZINC001177369433	770418507	/nfs/dbraw/zinc/41/85/07/770418507.db2.gz	QBGQYIRRZQKURU-QLJPJBMISA-N	-1	0	320.345	0.890	20	30		DCEDRM
Cc1ccc(C(=NC(=O)c2ccn(C)c2CC(=O)[O-])NO)nc1	ZINC001177369666	770419106	/nfs/dbraw/zinc/41/91/06/770419106.db2.gz	VOOBDJZSKRRWLJ-UHFFFAOYSA-N	-1	0	316.317	0.921	20	30		DCEDRM
C[C@H]1[C@H](Nc2ccc3[nH]c(C#N)cc3n2)C(=O)N1S(=O)(=O)[O-]	ZINC001157073373	771527685	/nfs/dbraw/zinc/52/76/85/771527685.db2.gz	ZQVROQDARKZBJE-KGFZYKRKSA-N	-1	0	321.318	0.249	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(=O)N(CC)CC	ZINC001205315872	771832458	/nfs/dbraw/zinc/83/24/58/771832458.db2.gz	OCCQSRNMRURWGQ-NSHDSACASA-N	-1	0	309.384	0.330	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)Cc1cc(F)cc(F)c1	ZINC001185170752	771873316	/nfs/dbraw/zinc/87/33/16/771873316.db2.gz	UGNWBJBNJLVSIG-LLVKDONJSA-N	-1	0	318.301	0.839	20	30		DCEDRM
C=C(C)C(=O)NCCCNC(=O)c1nc(SC)ncc1[O-]	ZINC001185186598	771876260	/nfs/dbraw/zinc/87/62/60/771876260.db2.gz	QJHQIASSEBSKTD-UHFFFAOYSA-N	-1	0	310.379	0.716	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc3oc(=O)[nH]c3c2)c(C#N)c1=O	ZINC001187541720	772199212	/nfs/dbraw/zinc/19/92/12/772199212.db2.gz	NCRRKIJPBBJWHG-UHFFFAOYSA-N	-1	0	313.273	0.404	20	30		DCEDRM
N#Cc1cnn(-c2ncccn2)c1[N-]S(=O)(=O)CCCF	ZINC001189868351	772547010	/nfs/dbraw/zinc/54/70/10/772547010.db2.gz	FXPQYOFPFUOAPR-UHFFFAOYSA-N	-1	0	310.314	0.635	20	30		DCEDRM
C=C(C)C(=O)OCC[N-]S(=O)(=O)c1ncc(F)cc1F	ZINC001190197328	772605486	/nfs/dbraw/zinc/60/54/86/772605486.db2.gz	XSDGFMCNEFZASP-UHFFFAOYSA-N	-1	0	306.290	0.757	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CNC(=O)c1cnc2ccccc2c1O	ZINC001164450917	772661206	/nfs/dbraw/zinc/66/12/06/772661206.db2.gz	LVMVBHJNOGJSAH-UHFFFAOYSA-N	-1	0	315.329	0.882	20	30		DCEDRM
COC(=O)c1ccc([O-])c(C(=O)N2CCN(CCC#N)CC2)c1	ZINC001192386285	772913446	/nfs/dbraw/zinc/91/34/46/772913446.db2.gz	MHRJKTAOOKIXCG-UHFFFAOYSA-N	-1	0	317.345	0.850	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1cc(Br)ccc1C(N)=O	ZINC001192982255	772983736	/nfs/dbraw/zinc/98/37/36/772983736.db2.gz	MDHAAJMSMKSBKB-UHFFFAOYSA-N	-1	0	318.152	0.813	20	30		DCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)CC#N)c(C(=O)OC)c1	ZINC001192982245	772983825	/nfs/dbraw/zinc/98/38/25/772983825.db2.gz	LOSSRDACOUVGHD-UHFFFAOYSA-N	-1	0	312.303	0.525	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1CCCO1	ZINC001193106529	773006195	/nfs/dbraw/zinc/00/61/95/773006195.db2.gz	GYFWZWHQIKSECW-BDAKNGLRSA-N	-1	0	322.350	0.789	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(S(=O)(=O)CCO)c1	ZINC001193097298	773013237	/nfs/dbraw/zinc/01/32/37/773013237.db2.gz	INRORPXNUUOVKU-VIFPVBQESA-N	-1	0	318.376	0.106	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F	ZINC001193146950	773017834	/nfs/dbraw/zinc/01/78/34/773017834.db2.gz	UVFZFGUGBNSUGY-SSDOTTSWSA-N	-1	0	306.340	0.883	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1S(C)(=O)=O	ZINC001193158847	773019780	/nfs/dbraw/zinc/01/97/80/773019780.db2.gz	VHAKCYBMKWMIIX-SSDOTTSWSA-N	-1	0	306.340	0.883	20	30		DCEDRM
COC(=O)[C@@H]([N-]S(=O)(=O)[C@H](C)C#N)[C@@H](C)OC(C)(C)C	ZINC001193170174	773021397	/nfs/dbraw/zinc/02/13/97/773021397.db2.gz	GWEHRTDRZRDUTG-BBBLOLIVSA-N	-1	0	306.384	0.563	20	30		DCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC001193207205	773024848	/nfs/dbraw/zinc/02/48/48/773024848.db2.gz	YYQIUKHHLCRMAP-SNVBAGLBSA-N	-1	0	307.335	0.522	20	30		DCEDRM
C=CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(=O)n(C)[n-]2)C1	ZINC001194201536	773162941	/nfs/dbraw/zinc/16/29/41/773162941.db2.gz	MDUGJEJWTNXCSK-JTQLQIEISA-N	-1	0	308.338	0.643	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccsc1C(=O)N1CCOC[C@@H]1C#N	ZINC001196730618	773641626	/nfs/dbraw/zinc/64/16/26/773641626.db2.gz	AOAXOMGUHADHQX-QMMMGPOBSA-N	-1	0	315.376	0.484	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)Cc1ccccn1	ZINC001197848653	773808775	/nfs/dbraw/zinc/80/87/75/773808775.db2.gz	NTPYOVZXAOEBIU-UHFFFAOYSA-N	-1	0	321.318	0.706	20	30		DCEDRM
C=CCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC	ZINC001213350099	773837060	/nfs/dbraw/zinc/83/70/60/773837060.db2.gz	HEPSQKIBKRKCEU-GHMZBOCLSA-N	-1	0	309.370	0.182	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(=O)N(CC)C1CC1	ZINC001224308867	775556521	/nfs/dbraw/zinc/55/65/21/775556521.db2.gz	JKCKFEGJBITVBR-LBPRGKRZSA-N	-1	0	321.395	0.473	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](OCCS(=O)(=O)[O-])[C@H](C#N)C1	ZINC001224568758	775584507	/nfs/dbraw/zinc/58/45/07/775584507.db2.gz	MTPHZCMZUQBPRV-ZJUUUORDSA-N	-1	0	320.367	0.650	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccnc1[N+](=O)[O-]	ZINC001225630164	775701145	/nfs/dbraw/zinc/70/11/45/775701145.db2.gz	XEWJKMSFWXCBHN-SECBINFHSA-N	-1	0	318.307	0.828	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(=O)[nH]c(CC)n1	ZINC001226475839	775824715	/nfs/dbraw/zinc/82/47/15/775824715.db2.gz	MWHJMVPXBJARFG-VIFPVBQESA-N	-1	0	318.351	0.582	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(OC)ccn1	ZINC001226826192	775880812	/nfs/dbraw/zinc/88/08/12/775880812.db2.gz	VZEZOHVGGHOLPQ-NSHDSACASA-N	-1	0	303.336	0.928	20	30		DCEDRM
C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1cc(=O)[nH]cn1	ZINC001226947344	775900629	/nfs/dbraw/zinc/90/06/29/775900629.db2.gz	PPIYEOZNJIVCFM-JTQLQIEISA-N	-1	0	308.290	0.778	20	30		DCEDRM
N#Cc1ccnc(N2CCC(Oc3nc(=O)[n-]c(=O)[nH]3)CC2)c1	ZINC001227570132	775986314	/nfs/dbraw/zinc/98/63/14/775986314.db2.gz	IPBXDZQXLJJWPA-UHFFFAOYSA-N	-1	0	314.305	0.597	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nc(C)[nH]c(=O)c1C	ZINC001229685789	776213471	/nfs/dbraw/zinc/21/34/71/776213471.db2.gz	OLXCTYMWWDIIEU-SNVBAGLBSA-N	-1	0	318.351	0.637	20	30		DCEDRM
C#CCN(C1CCOCC1)S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC001465108398	804099430	/nfs/dbraw/zinc/09/94/30/804099430.db2.gz	YYHHMQOMAUMDFY-STQMWFEESA-N	-1	0	315.391	0.684	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)s1	ZINC001600746026	1168273672	/nfs/dbraw/zinc/27/36/72/1168273672.db2.gz	WADAFLDFHQNMRU-UHFFFAOYSA-N	-1	0	315.376	0.831	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O	ZINC001602815663	1169185665	/nfs/dbraw/zinc/18/56/65/1169185665.db2.gz	CBCLAWFWTSPBRV-OUJBWJOFSA-N	-1	0	303.380	0.593	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001602880682	1169197735	/nfs/dbraw/zinc/19/77/35/1169197735.db2.gz	XLEAXVXNJKMNCG-GHMZBOCLSA-N	-1	0	319.379	0.621	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(C)c1Br	ZINC000379197895	951162003	/nfs/dbraw/zinc/16/20/03/951162003.db2.gz	GPZGLLALAWQINI-UHFFFAOYSA-N	-1	0	300.112	0.343	20	30		DCEDRM
C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccsc1)n1cnc(C#N)n1	ZINC001603153700	1169257160	/nfs/dbraw/zinc/25/71/60/1169257160.db2.gz	PFDIQQXIDFAXFO-XVKPBYJWSA-N	-1	0	305.319	0.714	20	30		DCEDRM
C=CCOCCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001267721423	939639395	/nfs/dbraw/zinc/63/93/95/939639395.db2.gz	VMMURLYMOLSXJB-NSHDSACASA-N	-1	0	309.370	0.184	20	30		DCEDRM
CN(CCCNC(=O)C1CCC1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001610935143	970796437	/nfs/dbraw/zinc/79/64/37/970796437.db2.gz	ZXSLURWBSFWRBJ-OAHLLOKOSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CN(CCN1CCOC(C)(C)C1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001610939117	970797268	/nfs/dbraw/zinc/79/72/68/970797268.db2.gz	WNBYXJZBDYVYJN-OAHLLOKOSA-N	-1	0	311.382	0.560	20	30		DCEDRM
C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cnc[nH]c1=O	ZINC001271629854	941413159	/nfs/dbraw/zinc/41/31/59/941413159.db2.gz	JEVDJFJTAVOJSU-VXGBXAGGSA-N	-1	0	302.334	0.574	20	30		DCEDRM
C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cnc[nH]c1=O	ZINC001271629862	941413358	/nfs/dbraw/zinc/41/33/58/941413358.db2.gz	JGYSMXGPBPCQCY-INIZCTEOSA-N	-1	0	316.361	0.965	20	30		DCEDRM
C=CCOc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1	ZINC000322067211	970843803	/nfs/dbraw/zinc/84/38/03/970843803.db2.gz	ZKWICZSUOGHESR-CYBMUJFWSA-N	-1	0	318.329	0.667	20	30		DCEDRM
COc1cc(OC)cc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001412866098	942116205	/nfs/dbraw/zinc/11/62/05/942116205.db2.gz	GYWJKKNVAYISJR-UHFFFAOYSA-N	-1	0	303.274	0.755	20	30		DCEDRM
C[C@@H]1CSC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412931328	942145133	/nfs/dbraw/zinc/14/51/33/942145133.db2.gz	RWQRVLAWAXNGPY-PSASIEDQSA-N	-1	0	308.363	0.078	20	30		DCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)CSc1ccc(C#N)cc1	ZINC001413179746	942545758	/nfs/dbraw/zinc/54/57/58/942545758.db2.gz	IHUSXOASNMXHJN-UHFFFAOYSA-N	-1	0	304.331	0.985	20	30		DCEDRM
CSCC[C@H](NC(=O)Cc1ccc(C#N)nc1)c1nnn[n-]1	ZINC001413301813	942614591	/nfs/dbraw/zinc/61/45/91/942614591.db2.gz	SOQIYGPNZLRWCA-NSHDSACASA-N	-1	0	317.378	0.619	20	30		DCEDRM
C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc(=O)[nH][n-]1	ZINC001272287241	942666136	/nfs/dbraw/zinc/66/61/36/942666136.db2.gz	VLQQGANCBUPIDS-VXGBXAGGSA-N	-1	0	304.350	0.897	20	30		DCEDRM
Cn1c2ccc(OC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2n(C)c1=O	ZINC001611268227	970961706	/nfs/dbraw/zinc/96/17/06/970961706.db2.gz	IUQPIUNFPTZTBD-OAHLLOKOSA-N	-1	0	317.301	0.787	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](Nc3ccncc3C#N)C2)c1[O-]	ZINC001056611512	943340057	/nfs/dbraw/zinc/34/00/57/943340057.db2.gz	SZCFZRDPCJTPJC-LLVKDONJSA-N	-1	0	312.333	0.439	20	30		DCEDRM
CCC[C@@H](CC)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413726667	943608776	/nfs/dbraw/zinc/60/87/76/943608776.db2.gz	ZOXDRBVVFARSCZ-LLVKDONJSA-N	-1	0	307.354	0.698	20	30		DCEDRM
C#CCN1CC([C@@H](C)NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC001485510505	943974567	/nfs/dbraw/zinc/97/45/67/943974567.db2.gz	DCLXITDJFUUFHR-CYBMUJFWSA-N	-1	0	318.421	0.445	20	30		DCEDRM
N#Cc1ccc2[nH]c(C(=O)NC3C(=O)N=CN=C3[O-])cc(=O)c2c1	ZINC001154552632	944151408	/nfs/dbraw/zinc/15/14/08/944151408.db2.gz	DHCCCHYQQYNHRB-UHFFFAOYSA-N	-1	0	323.268	0.853	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCc3onc(C(N)=O)c3C2)c([O-])c1	ZINC001276864924	944333627	/nfs/dbraw/zinc/33/36/27/944333627.db2.gz	NGNZAWCXODMEIR-UHFFFAOYSA-N	-1	0	312.285	0.549	20	30		DCEDRM
O=C(C#CC1CC1)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001317170953	944833804	/nfs/dbraw/zinc/83/38/04/944833804.db2.gz	KPIXRSLMNVLKHP-LBPRGKRZSA-N	-1	0	303.366	0.394	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)C2(C(N)=O)CC2)n1	ZINC001318646077	945419534	/nfs/dbraw/zinc/41/95/34/945419534.db2.gz	COCUNPLBFSUOOR-MRVPVSSYSA-N	-1	0	307.331	0.437	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cncc(OCC(F)F)c1	ZINC001319882770	945685859	/nfs/dbraw/zinc/68/58/59/945685859.db2.gz	AXNAGECWSJUSBL-UHFFFAOYSA-N	-1	0	306.290	0.971	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC001252653903	945976287	/nfs/dbraw/zinc/97/62/87/945976287.db2.gz	OTRHFATUPHIVKO-ZDUSSCGKSA-N	-1	0	302.334	0.392	20	30		DCEDRM
C=CC[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-]	ZINC001321206258	946215963	/nfs/dbraw/zinc/21/59/63/946215963.db2.gz	LQBQVXQWJOXLBR-GFCCVEGCSA-N	-1	0	301.302	0.542	20	30		DCEDRM
C#CCN1C(=O)COCC12CN(Cc1cc(F)ccc1O)C2	ZINC001273285804	946424875	/nfs/dbraw/zinc/42/48/75/946424875.db2.gz	VRKJUXLLQJKFBU-UHFFFAOYSA-N	-1	0	304.321	0.578	20	30		DCEDRM
C#CCC1(NC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CCC1	ZINC001602675068	971245540	/nfs/dbraw/zinc/24/55/40/971245540.db2.gz	JLQUVWMQSWLYRL-LBPRGKRZSA-N	-1	0	321.377	0.697	20	30		DCEDRM
C=CC[C@@H](NC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)[O-]	ZINC001256550657	946642254	/nfs/dbraw/zinc/64/22/54/946642254.db2.gz	JPBOEIFBFNWIPV-PWSUYJOCSA-N	-1	0	304.302	0.922	20	30		DCEDRM
C#C[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC001573280336	946659378	/nfs/dbraw/zinc/65/93/78/946659378.db2.gz	PCPPMRAEKSCWCB-LLVKDONJSA-N	-1	0	324.348	0.603	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(C)nn1C(C)(C)C	ZINC001602679906	971263214	/nfs/dbraw/zinc/26/32/14/971263214.db2.gz	ZEMBRPHJDNVQCF-UHFFFAOYSA-N	-1	0	320.349	0.431	20	30		DCEDRM
CCOCCOCC(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001322536454	946714265	/nfs/dbraw/zinc/71/42/65/946714265.db2.gz	NTRCRGHSKMQSBF-UHFFFAOYSA-N	-1	0	312.347	0.416	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1	ZINC001602682249	971267065	/nfs/dbraw/zinc/26/70/65/971267065.db2.gz	KDVMPBRDJADIAG-AWEZNQCLSA-N	-1	0	314.341	0.582	20	30		DCEDRM
C=CC[C@H](NC(=O)c1cc(S(=O)(=O)NC)oc1C)C(=O)[O-]	ZINC001322600914	946740342	/nfs/dbraw/zinc/74/03/42/946740342.db2.gz	KDNFUNJTBLYMBQ-VIFPVBQESA-N	-1	0	316.335	0.255	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2C(N)=O)cc1	ZINC001258038851	946793124	/nfs/dbraw/zinc/79/31/24/946793124.db2.gz	DCGQBHMFKHROFL-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
Cc1c([N-]S(=O)(=O)c2ccccc2C#N)c(C(N)=O)nn1C	ZINC001258208782	946812654	/nfs/dbraw/zinc/81/26/54/946812654.db2.gz	XHODOTSSGXOSBS-UHFFFAOYSA-N	-1	0	319.346	0.500	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC[C@H]1COc2ccccc2O1	ZINC001602686025	971285520	/nfs/dbraw/zinc/28/55/20/971285520.db2.gz	NXOQXUIXAOJUNU-LBPRGKRZSA-N	-1	0	318.329	0.946	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC(=O)c2ccccc2O1	ZINC001602686190	971286532	/nfs/dbraw/zinc/28/65/32/971286532.db2.gz	UCAMVIUEROBSFD-NSHDSACASA-N	-1	0	316.313	0.750	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1nn(C)cc1Br	ZINC001602688535	971291670	/nfs/dbraw/zinc/29/16/70/971291670.db2.gz	OVWBPILWADXGQE-UHFFFAOYSA-N	-1	0	315.127	0.734	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C(F)(F)F)c[nH]c1=O	ZINC001602691540	971296413	/nfs/dbraw/zinc/29/64/13/971296413.db2.gz	MUSUYVUELODICU-UHFFFAOYSA-N	-1	0	302.208	0.966	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O	ZINC001602691736	971298567	/nfs/dbraw/zinc/29/85/67/971298567.db2.gz	WMRRHDVHKLKUDZ-UHFFFAOYSA-N	-1	0	305.334	0.948	20	30		DCEDRM
N#CCNC[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)C1CC1	ZINC001323079901	946927158	/nfs/dbraw/zinc/92/71/58/946927158.db2.gz	DSUCJXIWAZDAPO-ZDUSSCGKSA-N	-1	0	311.345	0.957	20	30		DCEDRM
C=CCS(=O)(=O)[N-]c1sc2c(c1C(N)=O)CCN(C)C2	ZINC001259922467	947020240	/nfs/dbraw/zinc/02/02/40/947020240.db2.gz	JXWAIMAHHKGACK-UHFFFAOYSA-N	-1	0	315.420	0.763	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001602700732	971319963	/nfs/dbraw/zinc/31/99/63/971319963.db2.gz	GOUSKRVTGSPCPT-UHFFFAOYSA-N	-1	0	307.306	0.525	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)C(=O)[O-]	ZINC001332171517	947072373	/nfs/dbraw/zinc/07/23/73/947072373.db2.gz	CWCOGUPXSSZTTA-IUCAKERBSA-N	-1	0	312.288	0.641	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cncc(C#N)n2)cc1	ZINC001260233300	947089043	/nfs/dbraw/zinc/08/90/43/947089043.db2.gz	HHDVJNKDBSDITP-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(COC)n1C[C@@H]1CCCCO1	ZINC001602700968	971324271	/nfs/dbraw/zinc/32/42/71/971324271.db2.gz	QEDSYHHOMVMIDT-LBPRGKRZSA-N	-1	0	322.365	0.518	20	30		DCEDRM
C#CCN1CCC[C@H]1c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C	ZINC001602702184	971329800	/nfs/dbraw/zinc/32/98/00/971329800.db2.gz	KTEXENYMJDCUGY-RYUDHWBXSA-N	-1	0	303.366	0.496	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1cc(F)cc(F)c1C#N	ZINC001260592859	947121974	/nfs/dbraw/zinc/12/19/74/947121974.db2.gz	UTRHBOKYAROZJS-UHFFFAOYSA-N	-1	0	310.303	0.580	20	30		DCEDRM
COc1cccc([N-]S(=O)(=O)CS(C)(=O)=O)c1C#N	ZINC001260592767	947122056	/nfs/dbraw/zinc/12/20/56/947122056.db2.gz	QUSULYIJZYODAV-UHFFFAOYSA-N	-1	0	304.349	0.311	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)[N-]c2ncn(C)c2C#N)c1	ZINC001260838922	947151309	/nfs/dbraw/zinc/15/13/09/947151309.db2.gz	MXFRONYIQWWYDV-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCO[C@H]2C)n1CC=C	ZINC001602701001	971325545	/nfs/dbraw/zinc/32/55/45/971325545.db2.gz	RDUZKYMLQMXWLY-RYUDHWBXSA-N	-1	0	304.350	0.881	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1	ZINC001602704702	971336610	/nfs/dbraw/zinc/33/66/10/971336610.db2.gz	OSBUGFOZFNGOGD-HAQNSBGRSA-N	-1	0	308.378	0.912	20	30		DCEDRM
CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1CN(CC#N)C1	ZINC001324030957	947290370	/nfs/dbraw/zinc/29/03/70/947290370.db2.gz	QNKXAHXLNHNNTJ-UHFFFAOYSA-N	-1	0	306.288	0.110	20	30		DCEDRM
C=CCn1c([C@H](O)COC)nnc1N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001602729654	971399497	/nfs/dbraw/zinc/39/94/97/971399497.db2.gz	ADINRIRUTILGQY-IJLUTSLNSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001602729009	971399503	/nfs/dbraw/zinc/39/95/03/971399503.db2.gz	WPZUWCWCAFSHEK-UHFFFAOYSA-N	-1	0	313.335	0.502	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC001262383038	947667872	/nfs/dbraw/zinc/66/78/72/947667872.db2.gz	MWHDWMMZOSGMSK-NSHDSACASA-N	-1	0	311.363	0.217	20	30		DCEDRM
C=CCCCCCN1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001325201109	947706273	/nfs/dbraw/zinc/70/62/73/947706273.db2.gz	MTPKNKKZXQNBRD-UHFFFAOYSA-N	-1	0	322.409	0.947	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(NC(C)=O)c(OC)c(OC)c1	ZINC001263291192	947828540	/nfs/dbraw/zinc/82/85/40/947828540.db2.gz	OXARLLIIYVNHOK-SNVBAGLBSA-N	-1	0	319.317	0.731	20	30		DCEDRM
C#CCN1C(=O)COCC12CN(Cc1ccc(C(=O)[O-])s1)C2	ZINC001273718958	948044801	/nfs/dbraw/zinc/04/48/01/948044801.db2.gz	KZAYZWJRFLABBP-UHFFFAOYSA-N	-1	0	320.370	0.493	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2conc2COC)CC1	ZINC001326634435	948227367	/nfs/dbraw/zinc/22/73/67/948227367.db2.gz	UMXWIXJURVTEIZ-UHFFFAOYSA-N	-1	0	300.336	0.989	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1cc(S(=O)(=O)NC)cs1)C(=O)[O-]	ZINC001327013409	948363851	/nfs/dbraw/zinc/36/38/51/948363851.db2.gz	LBDWUSHQJQZQER-MRVPVSSYSA-N	-1	0	318.376	0.415	20	30		DCEDRM
CCO[C@@H]1COCC[C@@H]1Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001570917869	948565298	/nfs/dbraw/zinc/56/52/98/948565298.db2.gz	GTTQTEPYJLOVHN-WCBMZHEXSA-N	-1	0	316.325	0.134	20	30		DCEDRM
N#Cc1ncc(NCc2cnc(Cl)cn2)nc1-c1nnn[n-]1	ZINC001570918262	948570547	/nfs/dbraw/zinc/57/05/47/948570547.db2.gz	BHVVMMUQYNNYNP-UHFFFAOYSA-N	-1	0	314.700	0.584	20	30		DCEDRM
CC(C)[C@@H](O)C(C)(C)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001574079597	948776207	/nfs/dbraw/zinc/77/62/07/948776207.db2.gz	LKINPNHORSSVOB-GFCCVEGCSA-N	-1	0	316.369	0.983	20	30		DCEDRM
CN(C)c1cccnc1CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001570929932	948791102	/nfs/dbraw/zinc/79/11/02/948791102.db2.gz	BXGNLHAZZJKSCP-UHFFFAOYSA-N	-1	0	322.336	0.601	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H]([C@@H](O)C(F)(F)F)C1	ZINC001602778720	971512393	/nfs/dbraw/zinc/51/23/93/971512393.db2.gz	LSJOUPDPQULXAM-JVUFJMBOSA-N	-1	0	308.256	0.763	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H]([C@H](O)C(F)(F)F)C1	ZINC001602778722	971512489	/nfs/dbraw/zinc/51/24/89/971512489.db2.gz	LSJOUPDPQULXAM-OVYXKVPISA-N	-1	0	308.256	0.763	20	30		DCEDRM
C[C@@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC[S@@]1=O	ZINC001364384127	949158916	/nfs/dbraw/zinc/15/89/16/949158916.db2.gz	WPBGKLXQIJOVMT-STFLBKPXSA-N	-1	0	319.390	0.649	20	30		DCEDRM
C[C@@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC[S@]1=O	ZINC001364384126	949159465	/nfs/dbraw/zinc/15/94/65/949159465.db2.gz	WPBGKLXQIJOVMT-ZQJOYCHOSA-N	-1	0	319.390	0.649	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)[C@@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC001602796304	971560616	/nfs/dbraw/zinc/56/06/16/971560616.db2.gz	XQIHGEBVUGEKJY-LDYMZIIASA-N	-1	0	319.273	0.641	20	30		DCEDRM
CC(C)(C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)C(F)(F)F	ZINC001573788205	949197404	/nfs/dbraw/zinc/19/74/04/949197404.db2.gz	IHPMHFFISDZCAG-UHFFFAOYSA-N	-1	0	314.231	0.988	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC2(O)CCC(C)(C)CC2)c(C#N)c1=O	ZINC001364584498	949592847	/nfs/dbraw/zinc/59/28/47/949592847.db2.gz	QRJAQGJLSMQMIB-UHFFFAOYSA-N	-1	0	306.366	0.688	20	30		DCEDRM
CCN1CCCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC1=O	ZINC001364693522	949767228	/nfs/dbraw/zinc/76/72/28/949767228.db2.gz	QKKZHCZQBSCNPE-UHFFFAOYSA-N	-1	0	314.349	0.361	20	30		DCEDRM
N#Cc1cccnc1N1CCN(S(=O)(=O)c2ncc[n-]2)CC1	ZINC001364751493	949877851	/nfs/dbraw/zinc/87/78/51/949877851.db2.gz	VSARMHQEHGTYRE-UHFFFAOYSA-N	-1	0	318.362	0.187	20	30		DCEDRM
COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC001364862491	950095768	/nfs/dbraw/zinc/09/57/68/950095768.db2.gz	QFLZRNAKMXZVQN-GFCCVEGCSA-N	-1	0	318.395	0.304	20	30		DCEDRM
Cn1cc(Cl)c(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001364911553	950177559	/nfs/dbraw/zinc/17/75/59/950177559.db2.gz	XOQYIYQHJWGQPT-UHFFFAOYSA-N	-1	0	322.712	0.236	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@@H]2COCC[C@@H]21	ZINC001364997908	950326574	/nfs/dbraw/zinc/32/65/74/950326574.db2.gz	OYIFGMPRVCBIHD-NWDGAFQWSA-N	-1	0	303.318	0.597	20	30		DCEDRM
CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001573873600	950650602	/nfs/dbraw/zinc/65/06/02/950650602.db2.gz	TWYNPWSEOTYOBY-HTRCEHHLSA-N	-1	0	316.325	0.604	20	30		DCEDRM
CCC(C)(C)CCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365657724	951395395	/nfs/dbraw/zinc/39/53/95/951395395.db2.gz	CLEYEKVPHMEHGC-UHFFFAOYSA-N	-1	0	321.381	0.946	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001332628894	951730368	/nfs/dbraw/zinc/73/03/68/951730368.db2.gz	CJHSCUBTAXYCHJ-HOTGVXAUSA-N	-1	0	310.394	0.977	20	30		DCEDRM
O=C([O-])CN1CCC[C@H](C(=O)N(O)Cc2ccc(F)cc2)C1=O	ZINC001595086389	951733449	/nfs/dbraw/zinc/73/34/49/951733449.db2.gz	JJPKEFURMHDVNJ-LBPRGKRZSA-N	-1	0	324.308	0.867	20	30		DCEDRM
C=CCN1CC2(CN(Cc3cc(C#N)ccc3[O-])C2)OCC1=O	ZINC001274665734	951776939	/nfs/dbraw/zinc/77/69/39/951776939.db2.gz	BHOXYFZQIHSORO-UHFFFAOYSA-N	-1	0	313.357	0.863	20	30		DCEDRM
COc1ccccc1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001411604258	952315037	/nfs/dbraw/zinc/31/50/37/952315037.db2.gz	PSQJVJQUGHEKRD-UHFFFAOYSA-N	-1	0	314.301	0.146	20	30		DCEDRM
C#CCCN1CCN(C(=O)CCCn2ccc(C(=O)[O-])n2)CC1	ZINC001335028674	952442465	/nfs/dbraw/zinc/44/24/65/952442465.db2.gz	HSRPRNHHIBENOE-UHFFFAOYSA-N	-1	0	318.377	0.529	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCc2ccsc2)c(=O)[n-]c1=O	ZINC001411946173	952560654	/nfs/dbraw/zinc/56/06/54/952560654.db2.gz	ORPOLBZRHSCPPR-UHFFFAOYSA-N	-1	0	318.358	0.631	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCS(=O)(=O)C[C@H]1C	ZINC001412029799	952608231	/nfs/dbraw/zinc/60/82/31/952608231.db2.gz	CNIWFAHZPHTHDR-SECBINFHSA-N	-1	0	309.347	0.226	20	30		DCEDRM
CC(C)c1cc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)no1	ZINC001412605077	952931372	/nfs/dbraw/zinc/93/13/72/952931372.db2.gz	CIGULLDKMYSQEG-UHFFFAOYSA-N	-1	0	317.305	0.961	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001338093640	952962244	/nfs/dbraw/zinc/96/22/44/952962244.db2.gz	WQTJITCPASCQAG-CMPLNLGQSA-N	-1	0	318.377	0.802	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CC3(C2)SCC[C@@H]3C(N)=O)c1[O-]	ZINC001276215071	953012625	/nfs/dbraw/zinc/01/26/25/953012625.db2.gz	DCLHWWNZMYVIDY-LLVKDONJSA-N	-1	0	317.370	0.697	20	30		DCEDRM
C[C@@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC001412749056	953052849	/nfs/dbraw/zinc/05/28/49/953052849.db2.gz	LEAKHRBBPFIINY-KOLCDFICSA-N	-1	0	322.390	0.611	20	30		DCEDRM
C[C@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC001412749109	953053065	/nfs/dbraw/zinc/05/30/65/953053065.db2.gz	LEAKHRBBPFIINY-ONGXEEELSA-N	-1	0	322.390	0.611	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1C[C@H](C)O[C@@H](CC)C1	ZINC001339091481	953072574	/nfs/dbraw/zinc/07/25/74/953072574.db2.gz	UXUCAHCXXNAZKF-UWVGGRQHSA-N	-1	0	304.358	0.648	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](COCC)C1	ZINC001339710395	953114358	/nfs/dbraw/zinc/11/43/58/953114358.db2.gz	QKNFHYLGCJLPLW-NSHDSACASA-N	-1	0	318.381	0.551	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1coc(C2CCOCC2)n1	ZINC001341818046	953252225	/nfs/dbraw/zinc/25/22/25/953252225.db2.gz	OLDZTLJDGISMGU-NSHDSACASA-N	-1	0	321.333	0.654	20	30		DCEDRM
C#CC1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC(=C)C)CC1	ZINC001342150145	953273384	/nfs/dbraw/zinc/27/33/84/953273384.db2.gz	OLCJBKFRFOPFIF-UHFFFAOYSA-N	-1	0	312.377	0.928	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC2(COC2)C1	ZINC001342151022	953273408	/nfs/dbraw/zinc/27/34/08/953273408.db2.gz	WQDMVFMGGMXOFP-UHFFFAOYSA-N	-1	0	316.365	0.305	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(OCC(N)=O)c1	ZINC001344541817	953495644	/nfs/dbraw/zinc/49/56/44/953495644.db2.gz	NIBULOKWRKYUID-GFCCVEGCSA-N	-1	0	301.302	0.152	20	30		DCEDRM
CC[C@H](NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)C(=O)[O-]	ZINC001593615156	953498141	/nfs/dbraw/zinc/49/81/41/953498141.db2.gz	VNYFUFLSJXCTOB-VIFPVBQESA-N	-1	0	307.310	0.023	20	30		DCEDRM
Cc1cnc(COCC(=O)C(C#N)=C([O-])c2nccn2C)o1	ZINC001344657323	953508340	/nfs/dbraw/zinc/50/83/40/953508340.db2.gz	PTRLFSJUIXQJSI-JTQLQIEISA-N	-1	0	302.290	0.825	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1	ZINC001589281100	953514625	/nfs/dbraw/zinc/51/46/25/953514625.db2.gz	QTWDTXIHOQKKQA-VHSXEESVSA-N	-1	0	315.333	0.849	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)C#CC(C)C)C[C@H]32)c1[O-]	ZINC001284158580	954889536	/nfs/dbraw/zinc/88/95/36/954889536.db2.gz	DZUJCOPZDYMHIQ-PJXYFTJBSA-N	-1	0	316.361	0.270	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001284229042	954944241	/nfs/dbraw/zinc/94/42/41/954944241.db2.gz	RFJMFMGLMXURMB-SCZZXKLOSA-N	-1	0	310.354	0.249	20	30		DCEDRM
C=CC[C@@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)[O-]	ZINC001350007312	954961692	/nfs/dbraw/zinc/96/16/92/954961692.db2.gz	WKUTVLMOCLFLJX-SNVBAGLBSA-N	-1	0	318.395	0.530	20	30		DCEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(=O)[N-]OCC	ZINC001350878539	955212256	/nfs/dbraw/zinc/21/22/56/955212256.db2.gz	PMQCYTVNFSPIRR-VXGBXAGGSA-N	-1	0	311.382	0.421	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)Cc1cccc(C#N)c1	ZINC001593838872	955333463	/nfs/dbraw/zinc/33/34/63/955333463.db2.gz	DBGNOTSSDWMSPA-UHFFFAOYSA-N	-1	0	304.302	0.577	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)N(C)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC001589019218	955449511	/nfs/dbraw/zinc/44/95/11/955449511.db2.gz	BNPNDLSAPJPPCK-NSHDSACASA-N	-1	0	317.345	0.696	20	30		DCEDRM
COC(=O)[C@@H]1[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])C1(F)F	ZINC001593862823	955560250	/nfs/dbraw/zinc/56/02/50/955560250.db2.gz	UZLIEHRAUDYQSH-RASWFIQWSA-N	-1	0	304.249	0.161	20	30		DCEDRM
C=C(C)CCC(=O)N[C@H](C)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001285372057	955603844	/nfs/dbraw/zinc/60/38/44/955603844.db2.gz	AYCSUALXGCOFSN-BDAKNGLRSA-N	-1	0	323.353	0.262	20	30		DCEDRM
COC(=O)c1cccc(COC(=O)[C@](C)(OC)C(=O)[O-])c1C#N	ZINC001593885570	955743907	/nfs/dbraw/zinc/74/39/07/955743907.db2.gz	NKACICZDNTUHPL-OAHLLOKOSA-N	-1	0	321.285	0.878	20	30		DCEDRM
C[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001589088489	955919804	/nfs/dbraw/zinc/91/98/04/955919804.db2.gz	XKDYYZLGQADVLH-VPOLOUISSA-N	-1	0	319.365	0.962	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1	ZINC001594606071	956176941	/nfs/dbraw/zinc/17/69/41/956176941.db2.gz	NUAWEUZLAMHQDV-GFCCVEGCSA-N	-1	0	309.366	0.900	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1	ZINC001594614358	956230260	/nfs/dbraw/zinc/23/02/60/956230260.db2.gz	SVYSZLYDDGLNAN-SNVBAGLBSA-N	-1	0	304.306	0.082	20	30		DCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1	ZINC001594615711	956234787	/nfs/dbraw/zinc/23/47/87/956234787.db2.gz	GMBAOESOXVJRGM-LLVKDONJSA-N	-1	0	314.294	0.171	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1	ZINC001594617872	956256928	/nfs/dbraw/zinc/25/69/28/956256928.db2.gz	NRSHXNVGXOECFA-HAQNSBGRSA-N	-1	0	301.302	0.267	20	30		DCEDRM
N#Cc1ccc(CNCCS(=O)(=O)CC(=O)[O-])c(F)c1	ZINC001594620734	956279488	/nfs/dbraw/zinc/27/94/88/956279488.db2.gz	QJOKWJCDEZFRHB-UHFFFAOYSA-N	-1	0	300.311	0.286	20	30		DCEDRM
COCC#CCN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001593950546	956377257	/nfs/dbraw/zinc/37/72/57/956377257.db2.gz	BQULYWPPMPGJET-ZJUUUORDSA-N	-1	0	322.283	0.232	20	30		DCEDRM
C[C@H](OC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C(=O)NC1(C#N)CCC1	ZINC001589159299	956393690	/nfs/dbraw/zinc/39/36/90/956393690.db2.gz	KUILSLSAXXQCPW-GARJFASQSA-N	-1	0	308.334	0.981	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)CNc2ccc(C#N)cc2)C1	ZINC001593961394	956485882	/nfs/dbraw/zinc/48/58/82/956485882.db2.gz	AIJIJDCDZGXXRZ-MRXNPFEDSA-N	-1	0	317.345	0.920	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)NCc2nc(C#N)cs2)C1	ZINC001593962153	956497076	/nfs/dbraw/zinc/49/70/76/956497076.db2.gz	IYYUJTQTSLPDKT-CYBMUJFWSA-N	-1	0	324.362	0.647	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC001603120731	972205564	/nfs/dbraw/zinc/20/55/64/972205564.db2.gz	OTHSLFMGKFWISX-QMMMGPOBSA-N	-1	0	321.337	0.428	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001356303010	956823095	/nfs/dbraw/zinc/82/30/95/956823095.db2.gz	WSNPZPCIJIWUQO-LLVKDONJSA-N	-1	0	322.365	0.347	20	30		DCEDRM
C#CCOCCC(=O)N1CC(N(C)C(=O)c2ncccc2O)C1	ZINC001358726512	957586208	/nfs/dbraw/zinc/58/62/08/957586208.db2.gz	HWWKJRTWUMXJHJ-UHFFFAOYSA-N	-1	0	317.345	0.110	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCO[C@H](C(F)F)C1)cc2=O	ZINC001414037514	957724929	/nfs/dbraw/zinc/72/49/29/957724929.db2.gz	PEQRMIKPECUWNY-JTQLQIEISA-N	-1	0	309.276	0.772	20	30		DCEDRM
C=C[C@@H](O)C(=O)N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1	ZINC001296143295	957910808	/nfs/dbraw/zinc/91/08/08/957910808.db2.gz	VLZPDDPJEUNTRO-ZJUUUORDSA-N	-1	0	311.704	0.745	20	30		DCEDRM
C#CC[C@H](CC)c1nnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1C	ZINC001588389557	958010596	/nfs/dbraw/zinc/01/05/96/958010596.db2.gz	WTOKYPOTKWWUBZ-HWWQOWPSSA-N	-1	0	318.377	0.869	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(N(C)C)c(F)c1	ZINC001588395188	958037928	/nfs/dbraw/zinc/03/79/28/958037928.db2.gz	KMUCAKMYSUZXHZ-UHFFFAOYSA-N	-1	0	321.308	0.377	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)ncc1C#N	ZINC001594313575	958049844	/nfs/dbraw/zinc/04/98/44/958049844.db2.gz	LQBJFDRLHPOCQE-NSHDSACASA-N	-1	0	318.333	0.673	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1	ZINC001588397889	958064530	/nfs/dbraw/zinc/06/45/30/958064530.db2.gz	XVGRPYSTFWKXHV-UHFFFAOYSA-N	-1	0	310.350	0.790	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC001588398846	958070187	/nfs/dbraw/zinc/07/01/87/958070187.db2.gz	DBHNUEHIGTUNPP-ZDUSSCGKSA-N	-1	0	321.377	0.461	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1COc2ccc(OC)cc2C1	ZINC001588400459	958083021	/nfs/dbraw/zinc/08/30/21/958083021.db2.gz	YFIQECIZKWEFAP-GFCCVEGCSA-N	-1	0	303.314	0.793	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CN(CCc1ccccc1)C(C)=O	ZINC001588401787	958086272	/nfs/dbraw/zinc/08/62/72/958086272.db2.gz	CQYBNRQPBAFSLP-UHFFFAOYSA-N	-1	0	316.357	0.624	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H](NC(C)=O)c1ccccc1	ZINC001588402633	958093520	/nfs/dbraw/zinc/09/35/20/958093520.db2.gz	YPANMFBDBKGYKM-CQSZACIVSA-N	-1	0	302.330	0.800	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1noc2ccc(OC)cc12	ZINC001588406766	958096888	/nfs/dbraw/zinc/09/68/88/958096888.db2.gz	DWWQRAWDPTZSGN-UHFFFAOYSA-N	-1	0	302.286	0.925	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCNC(=O)CC1CCCCC1	ZINC001588408238	958106571	/nfs/dbraw/zinc/10/65/71/958106571.db2.gz	CBXYSUWLIOVPKJ-UHFFFAOYSA-N	-1	0	323.393	0.802	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1	ZINC001588408503	958111916	/nfs/dbraw/zinc/11/19/16/958111916.db2.gz	PXCAULIKQSSECP-LMOYCYGVSA-N	-1	0	324.377	0.688	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)OCc2cn(C)nn2)cc1C#N	ZINC001361613801	958136646	/nfs/dbraw/zinc/13/66/46/958136646.db2.gz	GTSXNUJWAVUYCQ-UHFFFAOYSA-N	-1	0	305.319	0.866	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1noc(COCC)n1	ZINC001588410468	958139180	/nfs/dbraw/zinc/13/91/80/958139180.db2.gz	VHTSEULKPZSSNC-VIFPVBQESA-N	-1	0	310.310	0.397	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn2c1[nH]c(=O)c1ccccc12	ZINC001588417558	958176170	/nfs/dbraw/zinc/17/61/70/958176170.db2.gz	VWRFXMCNABWCLR-UHFFFAOYSA-N	-1	0	324.296	0.336	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nc(C)n(-c2ccc(F)cc2)n1	ZINC001588418539	958180858	/nfs/dbraw/zinc/18/08/58/958180858.db2.gz	LDLZLYXSDARLJG-UHFFFAOYSA-N	-1	0	316.292	0.875	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2scc(C)n2c1=O	ZINC001588418987	958189835	/nfs/dbraw/zinc/18/98/35/958189835.db2.gz	ZQZRADWROBLEKW-UHFFFAOYSA-N	-1	0	305.315	0.224	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC001588420103	958198057	/nfs/dbraw/zinc/19/80/57/958198057.db2.gz	LOXVVXKVLJLHPG-UHFFFAOYSA-N	-1	0	305.290	0.862	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC001588420399	958204986	/nfs/dbraw/zinc/20/49/86/958204986.db2.gz	XWOOEXNQVJYLAL-VIFPVBQESA-N	-1	0	316.317	0.615	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CC[C@H]1CC1(Cl)Cl	ZINC001588425197	958223720	/nfs/dbraw/zinc/22/37/20/958223720.db2.gz	IWGHSSMXINESHD-QMMMGPOBSA-N	-1	0	314.190	0.920	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cocn2)n1CC1CC1	ZINC001588426662	958230456	/nfs/dbraw/zinc/23/04/56/958230456.db2.gz	WCNCDPKSFUNODP-UHFFFAOYSA-N	-1	0	301.306	0.867	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CC2CC2)n1C[C@@H]1CCOC1	ZINC001588426936	958237482	/nfs/dbraw/zinc/23/74/82/958237482.db2.gz	HJZZXHAPKPHKRY-ZDUSSCGKSA-N	-1	0	318.377	0.791	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	ZINC001588429679	958247431	/nfs/dbraw/zinc/24/74/31/958247431.db2.gz	ALAAMFRIRWCXBZ-ZDUSSCGKSA-N	-1	0	307.394	0.980	20	30		DCEDRM
C#CCN1CCN(C(=O)COc2ccccc2CC(=O)[O-])CC1	ZINC001588430181	958252126	/nfs/dbraw/zinc/25/21/26/958252126.db2.gz	JCVGEQIHXWTHKE-UHFFFAOYSA-N	-1	0	316.357	0.470	20	30		DCEDRM
Cc1oc(C)c(S(=O)(=O)N2CCO[C@@H](C#N)C2)c1C(=O)[O-]	ZINC000093932480	958257760	/nfs/dbraw/zinc/25/77/60/958257760.db2.gz	JBUAPEKAMDJRAW-VIFPVBQESA-N	-1	0	314.319	0.508	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)N2CC[C@](COC)(C(=O)[O-])C2)C1	ZINC001588431365	958267696	/nfs/dbraw/zinc/26/76/96/958267696.db2.gz	XBEWUDRFLFMHFH-BBRMVZONSA-N	-1	0	323.393	0.217	20	30		DCEDRM
C#CCOc1ccc(COC(=O)c2cn(CC(=O)[O-])nn2)cc1	ZINC001588433045	958291423	/nfs/dbraw/zinc/29/14/23/958291423.db2.gz	AZOAVLQBYYJCFX-UHFFFAOYSA-N	-1	0	315.285	0.732	20	30		DCEDRM
N#CCc1ccc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1	ZINC001361759782	958296533	/nfs/dbraw/zinc/29/65/33/958296533.db2.gz	JGJRGFWYONVGDB-UHFFFAOYSA-N	-1	0	322.328	0.454	20	30		DCEDRM
C=C(C)CN(Cc1ccc(CO)o1)[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001588440343	958331328	/nfs/dbraw/zinc/33/13/28/958331328.db2.gz	VVOGLLDNIOQHAR-AWEZNQCLSA-N	-1	0	322.361	0.836	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)C#CC(C)(C)C)c1[O-]	ZINC001297742137	958331875	/nfs/dbraw/zinc/33/18/75/958331875.db2.gz	KMLUVISEWSHHKP-SNVBAGLBSA-N	-1	0	320.393	0.955	20	30		DCEDRM
C=C[C@H](C(=O)OC)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1	ZINC001588450478	958393385	/nfs/dbraw/zinc/39/33/85/958393385.db2.gz	NETSDPGGOBUSIN-DMDPSCGWSA-N	-1	0	307.350	0.638	20	30		DCEDRM
C=CC[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])c1ccncc1	ZINC001588453352	958437073	/nfs/dbraw/zinc/43/70/73/958437073.db2.gz	WFKGREADCCWOOU-LBPRGKRZSA-N	-1	0	305.334	0.748	20	30		DCEDRM
C=CCC[C@@H](O)Cn1cc(CN2CCC(C(=O)[O-])CC2)nn1	ZINC001588457068	958443490	/nfs/dbraw/zinc/44/34/90/958443490.db2.gz	IGBOQPNHTYEJEU-CQSZACIVSA-N	-1	0	308.382	0.902	20	30		DCEDRM
C=CCCCCNC(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001588459009	958469118	/nfs/dbraw/zinc/46/91/18/958469118.db2.gz	ZHLSVLARKKBEKS-CQSZACIVSA-N	-1	0	300.355	0.854	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ncccc1C(=O)[O-]	ZINC001588465458	958502866	/nfs/dbraw/zinc/50/28/66/958502866.db2.gz	KXBMGRSOPRSIGY-MRVPVSSYSA-N	-1	0	321.289	0.337	20	30		DCEDRM
C=CCNC(=O)[C@H](C)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001588465694	958507062	/nfs/dbraw/zinc/50/70/62/958507062.db2.gz	YCPXBAWXKVFRRD-RYUDHWBXSA-N	-1	0	323.393	0.075	20	30		DCEDRM
C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001573337924	958526957	/nfs/dbraw/zinc/52/69/57/958526957.db2.gz	YDPYVCFPYDGENU-LBPRGKRZSA-N	-1	0	317.301	0.770	20	30		DCEDRM
C=CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1[C@]1(O)CCSC1	ZINC001588471838	958537671	/nfs/dbraw/zinc/53/76/71/958537671.db2.gz	DTDSTJLVTILXET-HZMBPMFUSA-N	-1	0	324.406	0.700	20	30		DCEDRM
C=CCn1c(N2CC[C@](C)(C(=O)[O-])C2)nnc1[C@@]1(O)CCOC1	ZINC001588473409	958551595	/nfs/dbraw/zinc/55/15/95/958551595.db2.gz	YZRPPYQWBMGLML-LSDHHAIUSA-N	-1	0	322.365	0.373	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[C@@H]1CCCS1(=O)=O	ZINC001573364584	958615888	/nfs/dbraw/zinc/61/58/88/958615888.db2.gz	PLKVHFAOMTVMDU-CABZTGNLSA-N	-1	0	302.352	0.074	20	30		DCEDRM
C[C@H](C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)n1cnc(C#N)n1	ZINC001588547025	959001436	/nfs/dbraw/zinc/00/14/36/959001436.db2.gz	FGNGYNHDVURETF-RHYQMDGZSA-N	-1	0	317.349	0.955	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)Cc1ccc(F)cc1	ZINC001588558502	959087888	/nfs/dbraw/zinc/08/78/88/959087888.db2.gz	XIOPESALQJGFOR-DOMZBBRYSA-N	-1	0	308.309	0.850	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@]1(C#N)CC12CCCC2	ZINC001362347224	959188591	/nfs/dbraw/zinc/18/85/91/959188591.db2.gz	MPNCNCQTUGPONF-ZDUSSCGKSA-N	-1	0	313.379	0.043	20	30		DCEDRM
CCC[C@H](NC(=O)c1cnn(CCC#N)c1C)c1nnn[n-]1	ZINC001362395707	959271779	/nfs/dbraw/zinc/27/17/79/959271779.db2.gz	VABWFRLZRYLKTR-NSHDSACASA-N	-1	0	302.342	0.890	20	30		DCEDRM
N#C[C@@]1(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CC12CCCC2	ZINC001362435550	959350073	/nfs/dbraw/zinc/35/00/73/959350073.db2.gz	KJLIWEABZGAQKE-CQSZACIVSA-N	-1	0	316.365	0.484	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@H]2CC3CCC2CC3)c(=O)[n-]c1=O	ZINC001362480855	959440568	/nfs/dbraw/zinc/44/05/68/959440568.db2.gz	LFYXTMIBBSUFBM-XIVSLSHWSA-N	-1	0	316.361	0.906	20	30		DCEDRM
CC[C@H](C)[C@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)OC	ZINC001362599011	959672536	/nfs/dbraw/zinc/67/25/36/959672536.db2.gz	KGLHVBNMOUJDBR-JQWIXIFHSA-N	-1	0	322.365	0.388	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2nc(C3CC3)c[nH]2)c(=O)[n-]c1=O	ZINC001362625112	959718309	/nfs/dbraw/zinc/71/83/09/959718309.db2.gz	LFMVIWQOKDFZBX-UHFFFAOYSA-N	-1	0	300.278	0.060	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1S(=O)(=O)N(CC#N)CC#N	ZINC000223689500	959838225	/nfs/dbraw/zinc/83/82/25/959838225.db2.gz	XZHXFYXPCWGKJX-UHFFFAOYSA-N	-1	0	309.303	0.431	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](C)N(CCO)C[C@@H]1C	ZINC001362902916	960156334	/nfs/dbraw/zinc/15/63/34/960156334.db2.gz	LNMLKZCVCIFZAS-RYUDHWBXSA-N	-1	0	318.377	0.494	20	30		DCEDRM
N#CC[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(F)(F)F	ZINC001362934108	960195246	/nfs/dbraw/zinc/19/52/46/960195246.db2.gz	BLMQPHHFZVEKPW-ZCFIWIBFSA-N	-1	0	307.232	0.430	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2COCCN2C2CCCC2)[n-]c1C#N	ZINC001362971676	960243953	/nfs/dbraw/zinc/24/39/53/960243953.db2.gz	PUELKIAORHLFFS-ZDUSSCGKSA-N	-1	0	314.349	0.735	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCS(=O)(=O)[C@H](C)C1	ZINC001362973206	960243967	/nfs/dbraw/zinc/24/39/67/960243967.db2.gz	PRAJLUNADFYHHN-MWLCHTKSSA-N	-1	0	323.374	0.663	20	30		DCEDRM
CC(C)(CCC#N)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362975545	960249791	/nfs/dbraw/zinc/24/97/91/960249791.db2.gz	CYYQZGZYCBBZCL-UHFFFAOYSA-N	-1	0	303.322	0.267	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2conc2C2CC2)c(=O)[n-]c1=O	ZINC001362998465	960278395	/nfs/dbraw/zinc/27/83/95/960278395.db2.gz	GCVDGXAGCLYCNW-UHFFFAOYSA-N	-1	0	315.289	0.116	20	30		DCEDRM
C[C@H](CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCCO1	ZINC001363002941	960285243	/nfs/dbraw/zinc/28/52/43/960285243.db2.gz	HFETWJUXQGHGLS-ZYHUDNBSSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C[C@@H](O)[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccc1	ZINC001363157922	960503875	/nfs/dbraw/zinc/50/38/75/960503875.db2.gz	WNMSOXGMRJOKLW-SKDRFNHKSA-N	-1	0	300.318	0.479	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](CCO)Cc2ccccc2)c(C#N)c1=O	ZINC001363162368	960511569	/nfs/dbraw/zinc/51/15/69/960511569.db2.gz	ZIHSEVNABQMPLU-LBPRGKRZSA-N	-1	0	314.345	0.351	20	30		DCEDRM
COc1ccc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)cn1	ZINC001363164917	960519201	/nfs/dbraw/zinc/51/92/01/960519201.db2.gz	XCLFEBFSZGUMCY-UHFFFAOYSA-N	-1	0	301.306	0.003	20	30		DCEDRM
CN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1	ZINC001604102709	972509298	/nfs/dbraw/zinc/50/92/98/972509298.db2.gz	CTDABERYLQJPKH-NSHDSACASA-N	-1	0	301.302	0.454	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCS(=O)(=O)[C@H](C)C1	ZINC001363169732	960526074	/nfs/dbraw/zinc/52/60/74/960526074.db2.gz	CKFIPJOOTIRWJK-SECBINFHSA-N	-1	0	309.347	0.226	20	30		DCEDRM
CC(C)(C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CCC1	ZINC001363289146	960802752	/nfs/dbraw/zinc/80/27/52/960802752.db2.gz	VGOKHQRFTXMSKT-UHFFFAOYSA-N	-1	0	304.350	0.763	20	30		DCEDRM
C[C@H](c1cccc(C#N)c1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001363452713	961187221	/nfs/dbraw/zinc/18/72/21/961187221.db2.gz	SLIHVEHXAVUQBQ-SECBINFHSA-N	-1	0	301.306	0.781	20	30		DCEDRM
CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(Cc2ccc(C#N)cc2)C1	ZINC001571116942	961403651	/nfs/dbraw/zinc/40/36/51/961403651.db2.gz	PCVXRANMGHXLMY-HUUCEWRRSA-N	-1	0	313.357	0.922	20	30		DCEDRM
Cn1cc([C@@]2(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCCO2)cn1	ZINC001574454849	961501675	/nfs/dbraw/zinc/50/16/75/961501675.db2.gz	SBOAWAAYFISLRB-GJZGRUSLSA-N	-1	0	320.349	0.547	20	30		DCEDRM
N#C[C@@]12CN(C(=O)c3c([O-])cccc3F)C[C@H]1CS(=O)(=O)C2	ZINC001363612392	961550002	/nfs/dbraw/zinc/55/00/02/961550002.db2.gz	SUWPUPUVBBAFJO-XPTSAGLGSA-N	-1	0	324.333	0.542	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](CC#N)C1)C(=O)[O-]	ZINC001588815243	961564244	/nfs/dbraw/zinc/56/42/44/961564244.db2.gz	ICMZVFDEMJNDQF-VXGBXAGGSA-N	-1	0	309.366	0.612	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNc1ccnc(C(=O)[O-])n1	ZINC001571132888	961576331	/nfs/dbraw/zinc/57/63/31/961576331.db2.gz	BQULATUDRLPQDS-QWRGUYRKSA-N	-1	0	317.349	0.549	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001571138242	961633462	/nfs/dbraw/zinc/63/34/62/961633462.db2.gz	STGMBTIUECFMBL-MDZLAQPJSA-N	-1	0	317.411	0.755	20	30		DCEDRM
C#CCN(C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1CCCCC1	ZINC001333346676	961688943	/nfs/dbraw/zinc/68/89/43/961688943.db2.gz	MCFGNSKOLGUOQV-HAQNSBGRSA-N	-1	0	306.362	0.760	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1	ZINC001574488547	961695287	/nfs/dbraw/zinc/69/52/87/961695287.db2.gz	RMHUKBHCVVSDPX-BBRMVZONSA-N	-1	0	315.329	0.801	20	30		DCEDRM
C[C@H](C[C@@H](O)c1ccco1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363723931	961765201	/nfs/dbraw/zinc/76/52/01/961765201.db2.gz	ATXLCLFUCOBIIO-PSASIEDQSA-N	-1	0	304.306	0.462	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@@H]1CCCC(F)(F)[C@H]1O	ZINC001363939548	962160103	/nfs/dbraw/zinc/16/01/03/962160103.db2.gz	VRWSBWIGXGFVEY-KCJUWKMLSA-N	-1	0	317.317	0.780	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)c(=O)[n-]c1=O	ZINC001364019111	962304314	/nfs/dbraw/zinc/30/43/14/962304314.db2.gz	FRFBNNZXFZGGFR-SCVCMEIPSA-N	-1	0	302.334	0.373	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C#N)c1=O	ZINC001364189529	962641319	/nfs/dbraw/zinc/64/13/19/962641319.db2.gz	AQTFHEHZAWRCIK-WCQGTBRESA-N	-1	0	304.350	0.075	20	30		DCEDRM
C[C@@H](CN(C)c1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC(C)(C)C	ZINC001364192748	962648131	/nfs/dbraw/zinc/64/81/31/962648131.db2.gz	UAODMBRTFADPTB-VIFPVBQESA-N	-1	0	322.365	0.359	20	30		DCEDRM
C#CCCCC(=O)N(C)CC(C)(C)CNC(=O)CNC(=O)[O-]	ZINC001573303015	962668869	/nfs/dbraw/zinc/66/88/69/962668869.db2.gz	JEFVYFUHLKKMJK-UHFFFAOYSA-N	-1	0	311.382	0.658	20	30		DCEDRM
C#CCOCCC(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001573311450	962703333	/nfs/dbraw/zinc/70/33/33/962703333.db2.gz	QRKSGCFTBGNDMD-TXEJJXNPSA-N	-1	0	318.333	0.274	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCCC[C@@H]2c2ncccn2)c(C#N)c1=O	ZINC001364232301	962718322	/nfs/dbraw/zinc/71/83/22/962718322.db2.gz	VHCFNXFOBFNKFZ-LLVKDONJSA-N	-1	0	312.333	0.467	20	30		DCEDRM
C=C(Br)CN1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573313405	962730832	/nfs/dbraw/zinc/73/08/32/962730832.db2.gz	HCEHWPUBNMEGBR-VHSXEESVSA-N	-1	0	317.183	0.758	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)cc1	ZINC001573313554	962732162	/nfs/dbraw/zinc/73/21/62/962732162.db2.gz	KWVZUNNIWBRMLR-UHFFFAOYSA-N	-1	0	309.343	0.172	20	30		DCEDRM
COCCOc1ccc(C#N)cc1NC(=O)COCC(=O)[O-]	ZINC001574165117	962733176	/nfs/dbraw/zinc/73/31/76/962733176.db2.gz	YKBVZHWAWDXKAO-UHFFFAOYSA-N	-1	0	308.290	0.623	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)CNC(=O)[O-]	ZINC001573322431	962769901	/nfs/dbraw/zinc/76/99/01/962769901.db2.gz	YTVFHSPZBOMEGY-LLVKDONJSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@H](C1CC1)N(C)C(=O)CNC(=O)[O-]	ZINC001573324187	962781974	/nfs/dbraw/zinc/78/19/74/962781974.db2.gz	OESBPWMOBRFLKS-GFCCVEGCSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)C1	ZINC001573343542	962906025	/nfs/dbraw/zinc/90/60/25/962906025.db2.gz	HFHZWYQPZCNQEG-USZNOCQGSA-N	-1	0	306.362	0.827	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@@]1(C)CCN(C(=O)CNC(=O)[O-])C1	ZINC001573346878	962944341	/nfs/dbraw/zinc/94/43/41/962944341.db2.gz	HJDSZFONUIPLSF-HNNXBMFYSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=C[C@@H](C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)[O-]	ZINC001573348020	962953963	/nfs/dbraw/zinc/95/39/63/962953963.db2.gz	ROJBFOUCMYGBAQ-LPWJVIDDSA-N	-1	0	323.393	0.914	20	30		DCEDRM
C=CCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CNC(=O)[O-])C1	ZINC001573350225	962967940	/nfs/dbraw/zinc/96/79/40/962967940.db2.gz	GJZDPYAANGNJFW-LLVKDONJSA-N	-1	0	311.382	0.821	20	30		DCEDRM
C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)CNC(=O)[O-]	ZINC001573353527	963003986	/nfs/dbraw/zinc/00/39/86/963003986.db2.gz	XZPAUXYFULHAMA-VXGBXAGGSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1nnn2cc(C)[nH]c(=O)c12)C(=O)[O-]	ZINC001573365430	963054404	/nfs/dbraw/zinc/05/44/04/963054404.db2.gz	GHEMECPVRXDDFC-VIFPVBQESA-N	-1	0	319.321	0.678	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1cc2c(=O)[nH]c(C)cn2n1)C(=O)[O-]	ZINC001573365770	963055856	/nfs/dbraw/zinc/05/58/56/963055856.db2.gz	IBBMJPAUKBBBBM-SNVBAGLBSA-N	-1	0	318.333	0.870	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001573368655	963084572	/nfs/dbraw/zinc/08/45/72/963084572.db2.gz	JADXTMPIDZJHNJ-WOPDTQHZSA-N	-1	0	303.380	0.846	20	30		DCEDRM
C=CCOCC(=O)N1CCCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001573369518	963098826	/nfs/dbraw/zinc/09/88/26/963098826.db2.gz	VDOWOYSWIKRBCH-UHFFFAOYSA-N	-1	0	320.349	0.416	20	30		DCEDRM
C#CCCCC(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588435495	964023602	/nfs/dbraw/zinc/02/36/02/964023602.db2.gz	SIGPUSWRPWPXQR-KGLIPLIRSA-N	-1	0	320.389	0.960	20	30		DCEDRM
C#CCCCCC(=O)N(C)CCNc1ccnc(C(=O)[O-])n1	ZINC001588439738	964030587	/nfs/dbraw/zinc/03/05/87/964030587.db2.gz	GGHGHDWIAPMWKS-UHFFFAOYSA-N	-1	0	304.350	0.661	20	30		DCEDRM
C#CCCCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588439859	964032704	/nfs/dbraw/zinc/03/27/04/964032704.db2.gz	HRZKBVQNOQDWBY-SYQHCUMBSA-N	-1	0	320.389	0.912	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H](C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001369567244	965177960	/nfs/dbraw/zinc/17/79/60/965177960.db2.gz	LFQAMKOKZZQDNT-NXEZZACHSA-N	-1	0	306.370	0.387	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(S(C)(=O)=O)ccc1C	ZINC000092477253	967593744	/nfs/dbraw/zinc/59/37/44/967593744.db2.gz	QNUYMVRMHNBDQO-UHFFFAOYSA-N	-1	0	309.343	0.559	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)NC(=O)CS2	ZINC000092478405	967595355	/nfs/dbraw/zinc/59/53/55/967595355.db2.gz	LEQBYFMWSIUYHG-UHFFFAOYSA-N	-1	0	304.327	0.891	20	30		DCEDRM
C[C@@H](NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1(C)CC1	ZINC001372848318	968458758	/nfs/dbraw/zinc/45/87/58/968458758.db2.gz	LDRZCUCKGWDNED-SECBINFHSA-N	-1	0	305.338	0.308	20	30		DCEDRM
C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001609469933	970421187	/nfs/dbraw/zinc/42/11/87/970421187.db2.gz	CLXJKDJPYCIDRK-XHDPSFHLSA-N	-1	0	322.365	0.853	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(C(=O)NCCC#N)C[C@H]2C(=O)[O-]	ZINC001604283983	972872299	/nfs/dbraw/zinc/87/22/99/972872299.db2.gz	MSABYRPSOSYBNC-XIRUVYRFSA-N	-1	0	309.322	0.195	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC001604455666	973299572	/nfs/dbraw/zinc/29/95/72/973299572.db2.gz	YRENQELVPMKPEX-BBRMVZONSA-N	-1	0	318.329	0.948	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(c2nnc(C(C)(C)C#N)n2C)C1	ZINC001604541900	973529741	/nfs/dbraw/zinc/52/97/41/973529741.db2.gz	WHGXHLOFSCSWJK-CQSZACIVSA-N	-1	0	307.354	0.544	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(CCOc2ccccc2C#N)CCO1	ZINC001604559012	973613652	/nfs/dbraw/zinc/61/36/52/973613652.db2.gz	TWPCQFJDZNXURR-INIZCTEOSA-N	-1	0	320.345	0.739	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N([C@H](C)C(=O)[O-])C1CC1	ZINC001604597241	973690792	/nfs/dbraw/zinc/69/07/92/973690792.db2.gz	AGCYHBYYCXNBFN-SNVBAGLBSA-N	-1	0	319.383	0.031	20	30		DCEDRM
COc1cc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c(F)cc1C#N	ZINC001604721704	973926599	/nfs/dbraw/zinc/92/65/99/973926599.db2.gz	IMGCXGKYRIQNNG-ZETCQYMHSA-N	-1	0	323.280	0.481	20	30		DCEDRM
N#Cc1ccccc1/C=C\C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001605620324	973943480	/nfs/dbraw/zinc/94/34/80/973943480.db2.gz	ZPJQEYFAFXQBEE-CFHLNLSMSA-N	-1	0	314.297	0.800	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N([C@@H](C)C(=O)[O-])C1CC1	ZINC001603724196	974158739	/nfs/dbraw/zinc/15/87/39/974158739.db2.gz	OAUFOFPASDEILO-UWVGGRQHSA-N	-1	0	303.384	0.650	20	30		DCEDRM
N#Cc1cccc(-n2ccc(C(=O)N=c3nn[n-]n3C3CC3)n2)c1	ZINC001522814904	1014395247	/nfs/dbraw/zinc/39/52/47/1014395247.db2.gz	SJDBFWGMIYOROB-UHFFFAOYSA-N	-1	0	320.316	0.740	20	30		DCEDRM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)NCC#CCO)c1	ZINC000717497550	977902119	/nfs/dbraw/zinc/90/21/19/977902119.db2.gz	GSORKYNJSYMDRV-UHFFFAOYSA-N	-1	0	303.723	0.312	20	30		DCEDRM
N#CCN1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC000738425329	978536317	/nfs/dbraw/zinc/53/63/17/978536317.db2.gz	GBWJGZVVFGFGAO-UHFFFAOYSA-N	-1	0	309.347	0.215	20	30		DCEDRM
C[C@](CO)(NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC001592750452	979311841	/nfs/dbraw/zinc/31/18/41/979311841.db2.gz	MYSZFGMMQLSYBP-LLVKDONJSA-N	-1	0	304.368	0.215	20	30		DCEDRM
C[C@@H](CS(=O)(=O)N1CCC2(CC1)CC(=O)C=CO2)C(=O)[O-]	ZINC001592799677	979453241	/nfs/dbraw/zinc/45/32/41/979453241.db2.gz	YTWNANZDRIUCCL-JTQLQIEISA-N	-1	0	317.363	0.375	20	30		DCEDRM
CC[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC001595134031	979563257	/nfs/dbraw/zinc/56/32/57/979563257.db2.gz	PWQFXISIZIICSL-MRVPVSSYSA-N	-1	0	307.281	0.863	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C(=O)[C@H](C)C#N)C2CC2)c1[O-]	ZINC001529740689	1014603970	/nfs/dbraw/zinc/60/39/70/1014603970.db2.gz	NXELIOYNTNJQFK-MRVPVSSYSA-N	-1	0	305.338	0.304	20	30		DCEDRM
CC[C@](COC)(NC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC001595188441	979859492	/nfs/dbraw/zinc/85/94/92/979859492.db2.gz	OJQNAAPFMBESCA-OAHLLOKOSA-N	-1	0	306.318	0.933	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC001588369385	983313725	/nfs/dbraw/zinc/31/37/25/983313725.db2.gz	KEBJTUFPPPTOPU-SECBINFHSA-N	-1	0	304.302	0.860	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21	ZINC001588371005	983323905	/nfs/dbraw/zinc/32/39/05/983323905.db2.gz	TWEAHIBVOKEMLG-SNVBAGLBSA-N	-1	0	319.338	0.810	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588382242	983369765	/nfs/dbraw/zinc/36/97/65/983369765.db2.gz	KUFAYJYKSQTNFG-YNEHKIRRSA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1cc(C)sc1C(=O)[O-]	ZINC001588383569	983382599	/nfs/dbraw/zinc/38/25/99/983382599.db2.gz	DRGFDUFEVBFLIK-SECBINFHSA-N	-1	0	322.342	0.554	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1csc(N2CCCC2=O)n1)C(=O)[O-]	ZINC001588406902	983426702	/nfs/dbraw/zinc/42/67/02/983426702.db2.gz	BNKFLKZIHOHFLX-JTQLQIEISA-N	-1	0	321.358	0.405	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CSCN1C(=O)/C(C)=C\CC)C(=O)[O-]	ZINC001588407380	983428429	/nfs/dbraw/zinc/42/84/29/983428429.db2.gz	ZGXUJQCHSYUPQG-RPGNDLBOSA-N	-1	0	324.402	0.837	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(=O)[O-]	ZINC001588414557	983434621	/nfs/dbraw/zinc/43/46/21/983434621.db2.gz	VXOZLDGFRDYEKN-SNVBAGLBSA-N	-1	0	320.257	0.572	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)[C@@H](CCC)C(=O)OCC)C(=O)[O-]	ZINC001588423983	983454458	/nfs/dbraw/zinc/45/44/58/983454458.db2.gz	QVYIJEMCKUJEQI-ZJUUUORDSA-N	-1	0	305.352	0.114	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1	ZINC001588432075	983467271	/nfs/dbraw/zinc/46/72/71/983467271.db2.gz	WWKIZORNBFRRTC-LBPRGKRZSA-N	-1	0	302.330	0.808	20	30		DCEDRM
C#CC[C@@H]1NC(=O)N(Cc2ccc(OC)c(C(=O)[O-])c2)C1=O	ZINC001588434824	983472955	/nfs/dbraw/zinc/47/29/55/983472955.db2.gz	UYIKSUWZWUVGOV-NSHDSACASA-N	-1	0	302.286	0.837	20	30		DCEDRM
C#CCCCC(=O)NCCN(CC)c1ccnc(C(=O)[O-])n1	ZINC001588435258	983475453	/nfs/dbraw/zinc/47/54/53/983475453.db2.gz	IOBGXGNSZMJJOU-UHFFFAOYSA-N	-1	0	304.350	0.921	20	30		DCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC001450155082	1014949566	/nfs/dbraw/zinc/94/95/66/1014949566.db2.gz	HUPLKQYBEVMOJH-JTQLQIEISA-N	-1	0	320.280	0.437	20	30		DCEDRM
C#CCCOc1ccc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])cc1	ZINC001588457850	983482321	/nfs/dbraw/zinc/48/23/21/983482321.db2.gz	HWNCZSLCUIGFIB-LLVKDONJSA-N	-1	0	319.313	0.835	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)C(C)C	ZINC001588457899	983482516	/nfs/dbraw/zinc/48/25/16/983482516.db2.gz	JEWIUUZTHPBQEL-GFCCVEGCSA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#CCCS(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	ZINC001588457754	983482588	/nfs/dbraw/zinc/48/25/88/983482588.db2.gz	HDJDSGNGISZPKB-BDAKNGLRSA-N	-1	0	313.297	0.925	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001588464675	983493814	/nfs/dbraw/zinc/49/38/14/983493814.db2.gz	CNZDVYGIMSPXOT-UHFFFAOYSA-N	-1	0	316.288	0.948	20	30		DCEDRM
C#CCN(CC1CC1)C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001588468200	983500451	/nfs/dbraw/zinc/50/04/51/983500451.db2.gz	RACIBZNTACPOAG-UHFFFAOYSA-N	-1	0	318.333	0.086	20	30		DCEDRM
C#CCOCCC(=O)NC[C@@H](C)N(C)c1ncc(C(=O)[O-])cn1	ZINC001588490010	983530341	/nfs/dbraw/zinc/53/03/41/983530341.db2.gz	PXTAOROCUWXQPI-LLVKDONJSA-N	-1	0	320.349	0.156	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588490520	983532453	/nfs/dbraw/zinc/53/24/53/983532453.db2.gz	OLSFAHSKQVMBIM-BLLLJJGKSA-N	-1	0	309.362	0.633	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cc1	ZINC001588499440	983545714	/nfs/dbraw/zinc/54/57/14/983545714.db2.gz	ZXFCKYFPLCCXSY-ZDUSSCGKSA-N	-1	0	316.313	0.066	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)NCC(C)(C)CC(=O)[O-]	ZINC001588506035	983550498	/nfs/dbraw/zinc/55/04/98/983550498.db2.gz	FZVQEAWWPNSUAR-UHFFFAOYSA-N	-1	0	300.380	0.086	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)nc1	ZINC001588510695	983556413	/nfs/dbraw/zinc/55/64/13/983556413.db2.gz	ICMHTAKNYRRPCA-UHFFFAOYSA-N	-1	0	313.313	0.899	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)OC)cn1	ZINC001588510817	983557273	/nfs/dbraw/zinc/55/72/73/983557273.db2.gz	KLJRAXYEUUSKAY-AAEUAGOBSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1ccc(C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)nc1	ZINC001588516608	983561452	/nfs/dbraw/zinc/56/14/52/983561452.db2.gz	SEONMCYTDPDCQC-SECBINFHSA-N	-1	0	300.274	0.657	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1	ZINC001588517597	983565689	/nfs/dbraw/zinc/56/56/89/983565689.db2.gz	WTLLQSGMHVNNIG-OLZOCXBDSA-N	-1	0	316.313	0.043	20	30		DCEDRM
C#Cc1ccccc1CC(=O)NCCNc1ccnc(C(=O)[O-])n1	ZINC001588528615	983577484	/nfs/dbraw/zinc/57/74/84/983577484.db2.gz	CQFQAVKYZSEXMD-UHFFFAOYSA-N	-1	0	324.340	0.349	20	30		DCEDRM
C#Cc1cncc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])c1	ZINC001588529252	983580814	/nfs/dbraw/zinc/58/08/14/983580814.db2.gz	UQGPLOZZVCYRTK-WCQYABFASA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=C(Br)CNC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001588529425	983581473	/nfs/dbraw/zinc/58/14/73/983581473.db2.gz	YULBSUFULVTYNB-MRVPVSSYSA-N	-1	0	317.139	0.301	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588534129	983585444	/nfs/dbraw/zinc/58/54/44/983585444.db2.gz	FGOPLSXCDUQUOX-QNWHQSFQSA-N	-1	0	312.366	0.757	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)C(=O)[O-]	ZINC001588536929	983596595	/nfs/dbraw/zinc/59/65/95/983596595.db2.gz	FZGUOPOCMLQQCY-JTQLQIEISA-N	-1	0	301.364	0.347	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CCS(=O)(=O)CC(C)C)C(=O)[O-]	ZINC001588540111	983602686	/nfs/dbraw/zinc/60/26/86/983602686.db2.gz	ACGNSMUFZWRILB-NSHDSACASA-N	-1	0	305.396	0.983	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)COc1cccc(C(=O)NC)c1)C(=O)[O-]	ZINC001588542352	983608050	/nfs/dbraw/zinc/60/80/50/983608050.db2.gz	GKZWWPWBPCRWLX-CYBMUJFWSA-N	-1	0	320.345	0.961	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1ccnc(-n2cncn2)c1)C(=O)[O-]	ZINC001588548199	983623100	/nfs/dbraw/zinc/62/31/00/983623100.db2.gz	NKIOVFAVABUQMO-LLVKDONJSA-N	-1	0	301.306	0.812	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)C1(CC(=O)OCC)CC1)C(=O)[O-]	ZINC001588553115	983627431	/nfs/dbraw/zinc/62/74/31/983627431.db2.gz	HHWBXMZMIUPAHA-JTQLQIEISA-N	-1	0	319.379	0.811	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1)C(=O)[O-]	ZINC001588555202	983633324	/nfs/dbraw/zinc/63/33/24/983633324.db2.gz	BFDKOARONYNPDN-AEJSXWLSSA-N	-1	0	305.352	0.277	20	30		DCEDRM
C=C(C)Cn1c(C[C@@H](C)O)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588597167	983678391	/nfs/dbraw/zinc/67/83/91/983678391.db2.gz	AZHLUJQIUITJSQ-ABAIWWIYSA-N	-1	0	324.381	0.457	20	30		DCEDRM
C=C(C)Cn1c(C[C@H](C)O)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588598344	983683350	/nfs/dbraw/zinc/68/33/50/983683350.db2.gz	ZOOXHUQIUSAPGV-TUAOUCFPSA-N	-1	0	324.381	0.456	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001588599512	983690551	/nfs/dbraw/zinc/69/05/51/983690551.db2.gz	UCAZSXDREYGICU-NTZNESFSSA-N	-1	0	313.350	0.690	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1	ZINC001588613672	983704773	/nfs/dbraw/zinc/70/47/73/983704773.db2.gz	BVGGJARPUUOYOZ-NSHDSACASA-N	-1	0	318.395	0.195	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1	ZINC001588619564	983717529	/nfs/dbraw/zinc/71/75/29/983717529.db2.gz	YBNFVHIUPGRAGH-GFCCVEGCSA-N	-1	0	315.391	0.833	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O	ZINC001588624376	983731478	/nfs/dbraw/zinc/73/14/78/983731478.db2.gz	GZNSGKQYPWSHQL-BONVTDFDSA-N	-1	0	323.349	0.244	20	30		DCEDRM
C=CC(C)(C)CCn1nnnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588676949	983833208	/nfs/dbraw/zinc/83/32/08/983833208.db2.gz	MIOPRMQOCOZGAP-QWRGUYRKSA-N	-1	0	309.370	0.954	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001588683928	983853182	/nfs/dbraw/zinc/85/31/82/983853182.db2.gz	HMKFGIJVQKGBLN-ABAIWWIYSA-N	-1	0	320.349	0.515	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)CCN(C)c1ccnc(C(=O)[O-])n1	ZINC001588683997	983853867	/nfs/dbraw/zinc/85/38/67/983853867.db2.gz	IPXYBENYASZWER-OAHLLOKOSA-N	-1	0	322.365	0.397	20	30		DCEDRM
C=C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC001588703854	983922612	/nfs/dbraw/zinc/92/26/12/983922612.db2.gz	ANHXUEBQJUYQEE-SFYZADRCSA-N	-1	0	319.360	0.597	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C[C@H]1CCCO1	ZINC001588704982	983925582	/nfs/dbraw/zinc/92/55/82/983925582.db2.gz	JJDCEVQBYHUVOG-UTUOFQBUSA-N	-1	0	322.365	0.587	20	30		DCEDRM
C=C[C@H](OC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-]	ZINC001588705956	983929431	/nfs/dbraw/zinc/92/94/31/983929431.db2.gz	SQWOXLPSYBDRGY-WPRPVWTQSA-N	-1	0	306.336	0.151	20	30		DCEDRM
C=C[C@@H](OC(=O)c1cc(S(=O)(=O)NC)ccc1C)C(=O)[O-]	ZINC001588713178	983948090	/nfs/dbraw/zinc/94/80/90/983948090.db2.gz	RVUNBSBIKSGDCJ-LLVKDONJSA-N	-1	0	313.331	0.699	20	30		DCEDRM
C=CC[C@H](C)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588736920	984027978	/nfs/dbraw/zinc/02/79/78/984027978.db2.gz	ZPPLKBKTXWEEKK-VIFPVBQESA-N	-1	0	308.338	0.722	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1occc1C(=O)[O-])C(=O)OCC	ZINC001588749661	984067264	/nfs/dbraw/zinc/06/72/64/984067264.db2.gz	OJPWGUSVAWAHEU-SECBINFHSA-N	-1	0	317.319	0.764	20	30		DCEDRM
C=CC[C@H](OC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)[O-]	ZINC001588754158	984092450	/nfs/dbraw/zinc/09/24/50/984092450.db2.gz	UQVJHYGZTOGQKM-LBPRGKRZSA-N	-1	0	304.302	0.913	20	30		DCEDRM
C=CC[C@H]1CCCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1	ZINC001588771410	984139831	/nfs/dbraw/zinc/13/98/31/984139831.db2.gz	TYKUPAPDASWPSB-NSHDSACASA-N	-1	0	307.354	0.974	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C[C@H]1C	ZINC001588774033	984150492	/nfs/dbraw/zinc/15/04/92/984150492.db2.gz	PEXQUEXCJIOOAQ-MNOVXSKESA-N	-1	0	304.350	0.964	20	30		DCEDRM
C=CCCC(=O)NC[C@@H]1COCCN1c1ccnc(C(=O)[O-])n1	ZINC001588774428	984152144	/nfs/dbraw/zinc/15/21/44/984152144.db2.gz	YYKDFJRLNRLSBQ-LLVKDONJSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588778942	984163598	/nfs/dbraw/zinc/16/35/98/984163598.db2.gz	OAONOJYSSWHUPX-VIFPVBQESA-N	-1	0	300.336	0.385	20	30		DCEDRM
C=CCCc1ccc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])cc1	ZINC001588814731	984272828	/nfs/dbraw/zinc/27/28/28/984272828.db2.gz	NXGVUHLXCFNTAO-GFCCVEGCSA-N	-1	0	313.375	0.919	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@H](C(=O)[O-])c2cccnc2)nn1	ZINC001588817230	984275341	/nfs/dbraw/zinc/27/53/41/984275341.db2.gz	FZUZDSOSZLUICE-GFCCVEGCSA-N	-1	0	301.306	0.805	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)nn1	ZINC001588817574	984276784	/nfs/dbraw/zinc/27/67/84/984276784.db2.gz	NPHASRRFPRTRPX-UHFFFAOYSA-N	-1	0	316.321	0.515	20	30		DCEDRM
C=CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CC(=O)OCC	ZINC001588824061	984296063	/nfs/dbraw/zinc/29/60/63/984296063.db2.gz	OFDPLUVWNNKGLA-ZDUSSCGKSA-N	-1	0	300.355	0.263	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588828971	984310667	/nfs/dbraw/zinc/31/06/67/984310667.db2.gz	WMWMVTNMRNYNDL-UHFFFAOYSA-N	-1	0	307.306	0.379	20	30		DCEDRM
C=CCN(Cc1cnc(C(=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1	ZINC001588831842	984318028	/nfs/dbraw/zinc/31/80/28/984318028.db2.gz	TXFMWRTVYBLPJB-LLVKDONJSA-N	-1	0	311.363	0.350	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2cc(C(=O)[O-])ccn2)C1=O	ZINC001588836787	984329595	/nfs/dbraw/zinc/32/95/95/984329595.db2.gz	HWWOZWPWEDOSAF-GFCCVEGCSA-N	-1	0	303.318	0.639	20	30		DCEDRM
C=CCNc1ncc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])s1	ZINC001588849529	984372091	/nfs/dbraw/zinc/37/20/91/984372091.db2.gz	XCIDDMOZMHOIBW-MRVPVSSYSA-N	-1	0	324.362	0.108	20	30		DCEDRM
C=CCOC(=O)[C@@H](N)CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC001588849732	984374275	/nfs/dbraw/zinc/37/42/75/984374275.db2.gz	HMMVDITYUUHZMS-ZDUSSCGKSA-N	-1	0	320.345	0.790	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1C	ZINC001588850806	984380615	/nfs/dbraw/zinc/38/06/15/984380615.db2.gz	FPCINMNRXLVYPT-GHMZBOCLSA-N	-1	0	320.349	0.318	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001588851066	984382552	/nfs/dbraw/zinc/38/25/52/984382552.db2.gz	SGVCWDCXEDKLJB-NSHDSACASA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cn1c(C)c(C)sc1=O)C(=O)[O-]	ZINC001588857411	984402955	/nfs/dbraw/zinc/40/29/55/984402955.db2.gz	XZYSNWAUVFAYIG-JTQLQIEISA-N	-1	0	314.363	0.299	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(=O)OC)ccn1)C(=O)[O-]	ZINC001588859514	984406515	/nfs/dbraw/zinc/40/65/15/984406515.db2.gz	NZZRLERWWZTJCV-NSHDSACASA-N	-1	0	308.290	0.254	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc(C(=O)N(C)C)c1)C(=O)[O-]	ZINC001588861390	984415509	/nfs/dbraw/zinc/41/55/09/984415509.db2.gz	HPFDVVJURQFDFO-ZDUSSCGKSA-N	-1	0	320.345	0.774	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001588861834	984416969	/nfs/dbraw/zinc/41/69/69/984416969.db2.gz	NCCJOIJYQXWDMB-AWEZNQCLSA-N	-1	0	303.314	0.416	20	30		DCEDRM
C=CCOc1cc(OC)ccc1C(=O)N1CC(O)(C(=O)[O-])C1	ZINC001588869480	984439345	/nfs/dbraw/zinc/43/93/45/984439345.db2.gz	DGAJFLCSBOHVGP-UHFFFAOYSA-N	-1	0	307.302	0.532	20	30		DCEDRM
C=CCOc1cccnc1C(=O)NC[C@@]1(C(=O)[O-])CCOC1	ZINC001588877286	984452211	/nfs/dbraw/zinc/45/22/11/984452211.db2.gz	GYQOZNXZIAWQNL-HNNXBMFYSA-N	-1	0	306.318	0.868	20	30		DCEDRM
C=CCn1c([C@H](O)C=C)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588895985	984497991	/nfs/dbraw/zinc/49/79/91/984497991.db2.gz	PEUJHXNMGAHQBP-QMTHXVAHSA-N	-1	0	308.338	0.363	20	30		DCEDRM
C=CCn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1C(C)(C)COC	ZINC001588904860	984533125	/nfs/dbraw/zinc/53/31/25/984533125.db2.gz	GJHGBZALOWRZJU-LLVKDONJSA-N	-1	0	324.381	0.678	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC001588916280	984559509	/nfs/dbraw/zinc/55/95/09/984559509.db2.gz	CJQCFSLMZQUJMO-XQQFMLRXSA-N	-1	0	324.377	0.311	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC001588917826	984567686	/nfs/dbraw/zinc/56/76/86/984567686.db2.gz	BYKDFQGDMFDETA-QWRGUYRKSA-N	-1	0	312.347	0.649	20	30		DCEDRM
C=C[C@H](CO)Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC001588919198	984570360	/nfs/dbraw/zinc/57/03/60/984570360.db2.gz	AXWHQCOWCMEYMU-SECBINFHSA-N	-1	0	309.278	0.368	20	30		DCEDRM
CC#CCCCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588925180	984585788	/nfs/dbraw/zinc/58/57/88/984585788.db2.gz	MHAFPKKZBAQRBW-STQMWFEESA-N	-1	0	306.362	0.572	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001588925628	984588120	/nfs/dbraw/zinc/58/81/20/984588120.db2.gz	UATANHUEDHUPRO-JTQLQIEISA-N	-1	0	315.322	0.577	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001588925629	984588267	/nfs/dbraw/zinc/58/82/67/984588267.db2.gz	UATANHUEDHUPRO-SNVBAGLBSA-N	-1	0	315.322	0.577	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC001588926029	984590804	/nfs/dbraw/zinc/59/08/04/984590804.db2.gz	GMYGWLLFPMCYOX-BDAKNGLRSA-N	-1	0	311.363	0.976	20	30		DCEDRM
C/C(=C\Cn1cc(CN2CCOCC2)cc(C#N)c1=O)C(=O)[O-]	ZINC001588996115	984930890	/nfs/dbraw/zinc/93/08/90/984930890.db2.gz	ZUDHAIOBSCUJMT-SWGQDTFXSA-N	-1	0	317.345	0.583	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCC2(CNC(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC001384661444	985723789	/nfs/dbraw/zinc/72/37/89/985723789.db2.gz	JGRWDKLSOGMXNF-VIFPVBQESA-N	-1	0	319.365	0.600	20	30		DCEDRM
CCOCCN1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001596929298	986014485	/nfs/dbraw/zinc/01/44/85/986014485.db2.gz	YYHRCLITUYMYPP-UHFFFAOYSA-N	-1	0	304.350	0.810	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001589328377	986156733	/nfs/dbraw/zinc/15/67/33/986156733.db2.gz	AOOHUDMVICRREE-ZMLRMANQSA-N	-1	0	307.350	0.174	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001589329135	986160883	/nfs/dbraw/zinc/16/08/83/986160883.db2.gz	JTMRHPASSVGMAQ-SNVBAGLBSA-N	-1	0	319.317	0.707	20	30		DCEDRM
CC(C)[C@H](CNC(=O)[C@@H](C)C#N)Nc1ccnc(C(=O)[O-])n1	ZINC001589330053	986169007	/nfs/dbraw/zinc/16/90/07/986169007.db2.gz	XDHQSLGSINLVLQ-UWVGGRQHSA-N	-1	0	305.338	0.309	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1	ZINC001589330526	986173290	/nfs/dbraw/zinc/17/32/90/986173290.db2.gz	ITKTYLLFFGXXQR-GVXVVHGQSA-N	-1	0	317.411	0.946	20	30		DCEDRM
Cc1c(C(=O)NCc2ocnc2C(=O)[O-])cnn1CCC#N	ZINC001599982456	986183293	/nfs/dbraw/zinc/18/32/93/986183293.db2.gz	VIPJVMXZODTKED-UHFFFAOYSA-N	-1	0	303.278	0.721	20	30		DCEDRM
C[C@H](C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001589346451	986287335	/nfs/dbraw/zinc/28/73/35/986287335.db2.gz	QRQVBWNJOLVWFK-DTHBNOIPSA-N	-1	0	303.322	0.422	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001589559046	987311909	/nfs/dbraw/zinc/31/19/09/987311909.db2.gz	WWOQWHZYYMQXOP-GFCCVEGCSA-N	-1	0	315.351	0.171	20	30		DCEDRM
CC(C)(C)NC(=O)CCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001589824831	988290973	/nfs/dbraw/zinc/29/09/73/988290973.db2.gz	ODOASOBBOFDYCI-UHFFFAOYSA-N	-1	0	324.381	0.691	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001589909925	988641097	/nfs/dbraw/zinc/64/10/97/988641097.db2.gz	PZEGSQZCYXDJQJ-YTWAJWBKSA-N	-1	0	323.349	0.582	20	30		DCEDRM
CN(C(=O)CN1CCC[C@H](O)[C@@H]1C(=O)[O-])C1(C#N)CCCCC1	ZINC001598022856	990218280	/nfs/dbraw/zinc/21/82/80/990218280.db2.gz	JDIQZXQOWFBPAN-GXTWGEPZSA-N	-1	0	323.393	0.581	20	30		DCEDRM
CN(CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC001598469137	991996267	/nfs/dbraw/zinc/99/62/67/991996267.db2.gz	SXPGYNBRDUHXOU-JTQLQIEISA-N	-1	0	323.305	0.878	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1cccc(C#N)n1)C(=O)[O-]	ZINC001591463525	992580072	/nfs/dbraw/zinc/58/00/72/992580072.db2.gz	QHXWQKVXWFXPKZ-LBPRGKRZSA-N	-1	0	318.333	0.299	20	30		DCEDRM
CN1C(=O)CC[C@H]1C(=O)OCC#Cc1cccc(C(=O)[O-])c1	ZINC001598550510	992997649	/nfs/dbraw/zinc/99/76/49/992997649.db2.gz	JPELWVVQQVHFNA-ZDUSSCGKSA-N	-1	0	301.298	0.900	20	30		DCEDRM
CN1C[C@@H](C(=O)[O-])N(CCCC2(C#N)CCOCC2)CC1=O	ZINC001598564100	993122206	/nfs/dbraw/zinc/12/22/06/993122206.db2.gz	QDAXCIRPMSYDHM-LBPRGKRZSA-N	-1	0	309.366	0.314	20	30		DCEDRM
CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)NCCC#N	ZINC001598648285	994404816	/nfs/dbraw/zinc/40/48/16/994404816.db2.gz	ZRALVMOVBNLFID-UHFFFAOYSA-N	-1	0	320.305	0.545	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)CSc1n[nH]c(=O)[n-]1	ZINC001464504625	1015915142	/nfs/dbraw/zinc/91/51/42/1015915142.db2.gz	GIONDFUQFIXNSC-UHFFFAOYSA-N	-1	0	319.350	0.097	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)/C=C/C(=O)c1ccc(C)cc1	ZINC001598695693	995133681	/nfs/dbraw/zinc/13/36/81/995133681.db2.gz	WTFIREDLURDLST-GUOLPTJISA-N	-1	0	319.313	0.866	20	30		DCEDRM
COC(=O)[C@@H]1CCN(Cc2cncc(C#N)c2)[C@H](C(=O)[O-])C1	ZINC001598804274	996169228	/nfs/dbraw/zinc/16/92/28/996169228.db2.gz	RDSIHKPJVHKLSB-OLZOCXBDSA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2cccc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC001598819570	996309694	/nfs/dbraw/zinc/30/96/94/996309694.db2.gz	CMWXFWCNSCSSNZ-NEPJUHHUSA-N	-1	0	302.286	0.504	20	30		DCEDRM
COC(=O)CC[C@@H](NC(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC001598857615	996650949	/nfs/dbraw/zinc/65/09/49/996650949.db2.gz	CPXAGXOQUBSJKG-LLVKDONJSA-N	-1	0	308.265	0.834	20	30		DCEDRM
COCc1cc(NC(=O)C(=O)NC[C@@H](C)C#N)cc(C(=O)[O-])c1	ZINC001599285032	996961078	/nfs/dbraw/zinc/96/10/78/996961078.db2.gz	SFNIYHIYDKVLLQ-VIFPVBQESA-N	-1	0	319.317	0.746	20	30		DCEDRM
COC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H](C)O1	ZINC001598898623	997130083	/nfs/dbraw/zinc/13/00/83/997130083.db2.gz	UVKYRPCTIWJNLT-BPNCWPANSA-N	-1	0	318.329	0.946	20	30		DCEDRM
C[C@@]1(CCC(=O)[O-])NC(=O)N(Cc2ncc(C#N)cn2)C1=O	ZINC001594000565	997362337	/nfs/dbraw/zinc/36/23/37/997362337.db2.gz	DUFOVTLXCAXPIH-ZDUSSCGKSA-N	-1	0	303.278	0.024	20	30		DCEDRM
COCCCNC(=S)NN=Cc1cc(C(=O)[O-])c(C)n1C	ZINC001599226809	997774489	/nfs/dbraw/zinc/77/44/89/997774489.db2.gz	IAIGUPFCJBHURM-UHFFFAOYSA-N	-1	0	312.395	0.866	20	30		DCEDRM
C[C@]1(NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCOC1=O	ZINC001594061946	997857928	/nfs/dbraw/zinc/85/79/28/997857928.db2.gz	QBFVMADJJYKLHQ-ZDUSSCGKSA-N	-1	0	324.314	0.240	20	30		DCEDRM
CO[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)[C@@](C)(C(=O)[O-])C1	ZINC001599131073	997946704	/nfs/dbraw/zinc/94/67/04/997946704.db2.gz	SIZNWSJIBQRNEN-IAQYHMDHSA-N	-1	0	304.302	0.968	20	30		DCEDRM
COC(=O)c1cc(NC(=O)NCC#CCO)cc(C(=O)[O-])c1	ZINC001598945471	998050857	/nfs/dbraw/zinc/05/08/57/998050857.db2.gz	MXGLQXKPMRWJOR-UHFFFAOYSA-N	-1	0	306.274	0.289	20	30		DCEDRM
COCC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001599138660	998088279	/nfs/dbraw/zinc/08/82/79/998088279.db2.gz	NSHXIAUCXHOPON-CRWXNKLISA-N	-1	0	306.362	0.032	20	30		DCEDRM
COc1cc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)ccc1C#N	ZINC001599353901	998145190	/nfs/dbraw/zinc/14/51/90/998145190.db2.gz	DAWBZAYZHBQYDC-OAHLLOKOSA-N	-1	0	304.302	0.788	20	30		DCEDRM
COC[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)[O-]	ZINC001599165874	998541017	/nfs/dbraw/zinc/54/10/17/998541017.db2.gz	HIIRMQUPLFQQRX-LBPRGKRZSA-N	-1	0	306.293	0.945	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001511233218	1016225969	/nfs/dbraw/zinc/22/59/69/1016225969.db2.gz	BMJIPIBIWPQTTH-JQWIXIFHSA-N	-1	0	318.377	0.946	20	30		DCEDRM
COC(=O)c1ccc(N=NC(C)c2cn(CC(=O)[O-])nn2)nc1	ZINC001598984641	998689750	/nfs/dbraw/zinc/68/97/50/998689750.db2.gz	VNORIWYCOOJQSL-UHFFFAOYSA-N	-1	0	318.293	0.380	20	30		DCEDRM
C=CCCOCC(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001505466366	1016262198	/nfs/dbraw/zinc/26/21/98/1016262198.db2.gz	XKFGWOZCZOKGLP-GFCCVEGCSA-N	-1	0	323.397	0.526	20	30		DCEDRM
C[C@@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CS1	ZINC001469011698	1016299160	/nfs/dbraw/zinc/29/91/60/1016299160.db2.gz	ZGJYEFZDTHHQRI-PSASIEDQSA-N	-1	0	308.363	0.221	20	30		DCEDRM
CC[C@@H](C)C[C@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001469030223	1016300334	/nfs/dbraw/zinc/30/03/34/1016300334.db2.gz	OREXINYZVFJTGP-MNOVXSKESA-N	-1	0	321.381	0.944	20	30		DCEDRM
Cc1nscc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001418535879	1000324024	/nfs/dbraw/zinc/32/40/24/1000324024.db2.gz	FIZILUCDOSQMRN-UHFFFAOYSA-N	-1	0	305.319	0.016	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2nccc(Br)c2[O-])n1	ZINC001470749078	1016488139	/nfs/dbraw/zinc/48/81/39/1016488139.db2.gz	UCGYRDSPUBODSR-UHFFFAOYSA-N	-1	0	323.110	0.652	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@]23C[C@@H]2CCCC3)c(=O)[n-]c1=O	ZINC001471112494	1016532789	/nfs/dbraw/zinc/53/27/89/1016532789.db2.gz	NAFNBROUBUXKNU-NHYWBVRUSA-N	-1	0	302.334	0.660	20	30		DCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1O	ZINC001471195363	1016542531	/nfs/dbraw/zinc/54/25/31/1016542531.db2.gz	XKHPRNRIODTNKH-VIFPVBQESA-N	-1	0	314.301	0.404	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC001471935796	1016693973	/nfs/dbraw/zinc/69/39/73/1016693973.db2.gz	HIZAQBCTDFCRMW-UHFFFAOYSA-N	-1	0	317.349	0.001	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H](CO)C2CCCCC2)c(C#N)c1=O	ZINC001421154609	1003386311	/nfs/dbraw/zinc/38/63/11/1003386311.db2.gz	JHUWHFVISYXXQW-NSHDSACASA-N	-1	0	306.366	0.546	20	30		DCEDRM
C=CCCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1OC	ZINC001513349269	1016835031	/nfs/dbraw/zinc/83/50/31/1016835031.db2.gz	HUDBNKJSLLJPQQ-GHMZBOCLSA-N	-1	0	322.365	0.346	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)N[C@@H](C)CCC(=O)[O-])CC1	ZINC001573916461	1163586298	/nfs/dbraw/zinc/58/62/98/1163586298.db2.gz	SDXWJUXVCKWVRV-JTQLQIEISA-N	-1	0	311.338	0.728	20	30		DCEDRM
Cn1c(Sc2[n-]c(=O)n(C)c(=O)c2C#N)nnc1C(F)F	ZINC001472754827	1016853161	/nfs/dbraw/zinc/85/31/61/1016853161.db2.gz	CIKAVPNQCWKFQR-UHFFFAOYSA-N	-1	0	314.277	0.163	20	30		DCEDRM
C[C@H]1C[C@@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CS1	ZINC001427758919	1004585561	/nfs/dbraw/zinc/58/55/61/1004585561.db2.gz	WBYZESGSXBKPCB-WCBMZHEXSA-N	-1	0	323.378	0.014	20	30		DCEDRM
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](c2nn[nH]n2)C1	ZINC001473753260	1016962227	/nfs/dbraw/zinc/96/22/27/1016962227.db2.gz	VFIGPEZJTCNFEC-CHWSQXEVSA-N	-1	0	312.333	0.775	20	30		DCEDRM
CC(C)CN(CCC#N)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417620604	1005853185	/nfs/dbraw/zinc/85/31/85/1005853185.db2.gz	ZXZOOHZAUBTRCO-UHFFFAOYSA-N	-1	0	317.349	0.609	20	30		DCEDRM
CC1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001417640804	1005858323	/nfs/dbraw/zinc/85/83/23/1005858323.db2.gz	OQINALZYTBCUBA-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
CCCC(O)(CCC)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417651092	1005860781	/nfs/dbraw/zinc/86/07/81/1005860781.db2.gz	GOYACMVKYASFQY-UHFFFAOYSA-N	-1	0	322.365	0.268	20	30		DCEDRM
COCC(C)(C)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417884901	1005914990	/nfs/dbraw/zinc/91/49/90/1005914990.db2.gz	ACUOVMSDMHYYLI-UHFFFAOYSA-N	-1	0	308.338	0.094	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)nc1	ZINC001417888513	1005916300	/nfs/dbraw/zinc/91/63/00/1005916300.db2.gz	VEAFPMXZAUZOJU-UHFFFAOYSA-N	-1	0	302.294	0.053	20	30		DCEDRM
CCOC(=O)c1cnc(NC(=O)Cc2noc(C)c2C#N)[n-]1	ZINC001417890262	1005916644	/nfs/dbraw/zinc/91/66/44/1005916644.db2.gz	HXIBVDGZLGNFNO-UHFFFAOYSA-N	-1	0	303.278	0.936	20	30		DCEDRM
C=CCO[C@@H]1CCN(c2nnc(-c3cc(=O)n(C)[n-]3)n2C)C1	ZINC001519900316	1017234948	/nfs/dbraw/zinc/23/49/48/1017234948.db2.gz	SSQCTBQJVOKQEE-SNVBAGLBSA-N	-1	0	304.354	0.703	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2ccccc2F)c(=O)[n-]c1=O	ZINC001440477659	1007814861	/nfs/dbraw/zinc/81/48/61/1007814861.db2.gz	VGPGURGAVHWNSY-UHFFFAOYSA-N	-1	0	302.265	0.988	20	30		DCEDRM
COc1ccccc1OC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001440683643	1007950921	/nfs/dbraw/zinc/95/09/21/1007950921.db2.gz	SMNUPVMBSYXHDW-UHFFFAOYSA-N	-1	0	315.285	0.825	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H]2C[C@@H]2c2ccccc2)c(=O)[n-]c1=O	ZINC001453841257	1008752843	/nfs/dbraw/zinc/75/28/43/1008752843.db2.gz	ILOQVVZGPBVGKX-KGLIPLIRSA-N	-1	0	324.340	0.740	20	30		DCEDRM
CCc1cncc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001453847202	1008757547	/nfs/dbraw/zinc/75/75/47/1008757547.db2.gz	YOHZUUNGLOADBG-UHFFFAOYSA-N	-1	0	313.317	0.208	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2C[C@H]2C2CCCC2)c(=O)[n-]c1=O	ZINC001453847213	1008758198	/nfs/dbraw/zinc/75/81/98/1008758198.db2.gz	YSIVNOPLIHZVQO-QWHCGFSZSA-N	-1	0	316.361	0.763	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O	ZINC001433754643	1009149919	/nfs/dbraw/zinc/14/99/19/1009149919.db2.gz	MIVQRLHTFJNLMR-WDEREUQCSA-N	-1	0	302.334	0.741	20	30		DCEDRM
Cc1ccc(O)cc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001454714500	1009279887	/nfs/dbraw/zinc/27/98/87/1009279887.db2.gz	ZGKAUJUQVANVHK-UHFFFAOYSA-N	-1	0	300.274	0.473	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCS(=O)(=O)C[C@@H](C)C1	ZINC001433909601	1009340125	/nfs/dbraw/zinc/34/01/25/1009340125.db2.gz	NSWLEIVSQBVRIA-VIFPVBQESA-N	-1	0	323.374	0.474	20	30		DCEDRM
CC(C)N(CCC#N)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001442585798	1009493735	/nfs/dbraw/zinc/49/37/35/1009493735.db2.gz	XEMSTMGKAFRZMK-UHFFFAOYSA-N	-1	0	303.322	0.361	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC(C)(C)CN(C)C(=O)[C@@H](C)C#N)c1[O-]	ZINC001442617585	1009525422	/nfs/dbraw/zinc/52/54/22/1009525422.db2.gz	ZYICUTYWVDXWJM-VIFPVBQESA-N	-1	0	321.381	0.798	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2CCCCS2)c(=O)[n-]c1=O	ZINC001434207259	1009662442	/nfs/dbraw/zinc/66/24/42/1009662442.db2.gz	KVPZYGVQPIHGLD-JTQLQIEISA-N	-1	0	308.363	0.222	20	30		DCEDRM
CSc1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)co1	ZINC001434208596	1009665619	/nfs/dbraw/zinc/66/56/19/1009665619.db2.gz	UGOMDRKXZLULJO-UHFFFAOYSA-N	-1	0	320.330	0.565	20	30		DCEDRM
C[C@@H](CC1CCC1)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434253978	1009698682	/nfs/dbraw/zinc/69/86/82/1009698682.db2.gz	YEWUDNFDRNOXNW-JTQLQIEISA-N	-1	0	304.350	0.906	20	30		DCEDRM
Cc1cc([C@](C)(O)CNc2[n-]c(=O)n(C)c(=O)c2C#N)c(C)o1	ZINC001434436107	1009953224	/nfs/dbraw/zinc/95/32/24/1009953224.db2.gz	OSOXDKQLKBRMLO-OAHLLOKOSA-N	-1	0	318.333	0.475	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@]23OCCC[C@H]2C3(F)F)c(C#N)c1=O	ZINC001434447922	1009967012	/nfs/dbraw/zinc/96/70/12/1009967012.db2.gz	BHHHACVERXCDPK-PELKAZGASA-N	-1	0	312.276	0.171	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](CN(C)C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001456089903	1010091145	/nfs/dbraw/zinc/09/11/45/1010091145.db2.gz	ABNVPXHNFOKJQL-ONGXEEELSA-N	-1	0	319.365	0.504	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H]2CCCC3(CC3)C2)c(=O)[n-]c1=O	ZINC001456273659	1010164661	/nfs/dbraw/zinc/16/46/61/1010164661.db2.gz	AHKKHOYOBHRUPD-NSHDSACASA-N	-1	0	302.334	0.660	20	30		DCEDRM
Cc1ncsc1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001443692131	1010591406	/nfs/dbraw/zinc/59/14/06/1010591406.db2.gz	ATHSOESQWALKJV-UHFFFAOYSA-N	-1	0	319.346	0.292	20	30		DCEDRM
C#CCOCCN(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC001457394166	1011703736	/nfs/dbraw/zinc/70/37/36/1011703736.db2.gz	NIYPONPYVWKMCX-UHFFFAOYSA-N	-1	0	302.290	0.158	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cccc(OCC#N)c2)c(C#N)c1=O	ZINC001458177313	1012099304	/nfs/dbraw/zinc/09/93/04/1012099304.db2.gz	XNVMUWLZTVLOSC-UHFFFAOYSA-N	-1	0	311.301	0.460	20	30		DCEDRM
CC(C)CCn1ccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001458309784	1012134800	/nfs/dbraw/zinc/13/48/00/1012134800.db2.gz	JCDOGFJDLKFVFR-UHFFFAOYSA-N	-1	0	302.338	0.931	20	30		DCEDRM
Cc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1O	ZINC001445726970	1012167991	/nfs/dbraw/zinc/16/79/91/1012167991.db2.gz	XGCCIKYETMYPAB-UHFFFAOYSA-N	-1	0	300.274	0.473	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@H](CCSC)c1nnn[n-]1	ZINC001557589480	1012280202	/nfs/dbraw/zinc/28/02/02/1012280202.db2.gz	RCOYNZONHQQFTA-VIFPVBQESA-N	-1	0	313.383	0.620	20	30		DCEDRM
N#Cc1c[nH]c2cc(C(=O)N3CCOC[C@@H]3c3nnn[n-]3)ccc12	ZINC001557850000	1012303135	/nfs/dbraw/zinc/30/31/35/1012303135.db2.gz	ASSWYQKMIPRDCT-CYBMUJFWSA-N	-1	0	323.316	0.766	20	30		DCEDRM
Cn1nc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)c2ccccc21	ZINC001559170065	1012406954	/nfs/dbraw/zinc/40/69/54/1012406954.db2.gz	YJPQCOSFWBWKHI-UHFFFAOYSA-N	-1	0	324.344	0.487	20	30		DCEDRM
CCCc1cc(=O)n2nc(NC(=O)c3cc(C#N)ccn3)[n-]c2n1	ZINC001543196185	1012504586	/nfs/dbraw/zinc/50/45/86/1012504586.db2.gz	KADMUHRBNKEMKD-UHFFFAOYSA-N	-1	0	323.316	0.889	20	30		DCEDRM
COCCN(CCC#N)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001459602314	1012781748	/nfs/dbraw/zinc/78/17/48/1012781748.db2.gz	KWUCTSUWYZLBQU-UHFFFAOYSA-N	-1	0	300.322	0.669	20	30		DCEDRM
Cn1nc(C2CCOCC2)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001515373211	1017121947	/nfs/dbraw/zinc/12/19/47/1017121947.db2.gz	YAOMFZVJRWNRRB-GFCCVEGCSA-N	-1	0	316.361	0.915	20	30		DCEDRM
C=CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@@H]1CCCO1	ZINC001518016467	1017186997	/nfs/dbraw/zinc/18/69/97/1017186997.db2.gz	QQEJWOLGZDMEEB-JTQLQIEISA-N	-1	0	304.354	0.303	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001494682949	1017943265	/nfs/dbraw/zinc/94/32/65/1017943265.db2.gz	ZQGXPHOFOFFDRU-GXSJLCMTSA-N	-1	0	324.381	0.639	20	30		DCEDRM
N#CCCCCS(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC001610621486	1171271020	/nfs/dbraw/zinc/27/10/20/1171271020.db2.gz	KKVGIVFRPGWVOI-LBPRGKRZSA-N	-1	0	304.368	0.624	20	30		DCEDRM
N#C[C@H](CO)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-]	ZINC001636605387	1171742870	/nfs/dbraw/zinc/74/28/70/1171742870.db2.gz	RXVQEVCDWISIQX-SECBINFHSA-N	-1	0	306.709	0.846	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1	ZINC000422682636	240176679	/nfs/dbraw/zinc/17/66/79/240176679.db2.gz	KTXRFJFHWQRXCW-OAHLLOKOSA-N	-1	0	319.292	0.959	20	30		DCEDRM
CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cncc(C#N)c1	ZINC000567579666	291362506	/nfs/dbraw/zinc/36/25/06/291362506.db2.gz	KHKSJPFPDGSVRF-LLVKDONJSA-N	-1	0	309.347	0.970	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000275281627	212246106	/nfs/dbraw/zinc/24/61/06/212246106.db2.gz	LCYLOFROGDHQOU-UHFFFAOYSA-N	-1	0	324.358	0.234	20	30		DCEDRM
C=CCCS(=O)(=O)NCCc1nc(CC(=O)[O-])cs1	ZINC000275193045	212186959	/nfs/dbraw/zinc/18/69/59/212186959.db2.gz	FTPXNNXPYJYMLG-UHFFFAOYSA-N	-1	0	304.393	0.808	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-]	ZINC000274989124	212060154	/nfs/dbraw/zinc/06/01/54/212060154.db2.gz	KOUZDDZDWXQCKZ-GFCCVEGCSA-N	-1	0	309.343	0.766	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(C(=O)OC)cc1	ZINC000493835567	533073758	/nfs/dbraw/zinc/07/37/58/533073758.db2.gz	JPFRUWLFSPSRJK-JXMROGBWSA-N	-1	0	321.354	0.956	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)n1	ZINC000349962307	254306225	/nfs/dbraw/zinc/30/62/25/254306225.db2.gz	NCWWXVKSHYAYDW-UHFFFAOYSA-N	-1	0	306.303	0.821	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000263550949	533399698	/nfs/dbraw/zinc/39/96/98/533399698.db2.gz	KVZOPMNHHQVWPJ-CMPLNLGQSA-N	-1	0	311.363	0.881	20	30		DCEDRM
CCOC(=O)N1CCC[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000026266609	395694272	/nfs/dbraw/zinc/69/42/72/395694272.db2.gz	TVIGZEURFISPRI-VIFPVBQESA-N	-1	0	316.321	0.960	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)cc1Cl	ZINC000126065710	395909256	/nfs/dbraw/zinc/90/92/56/395909256.db2.gz	TUZPJOZAKFUZLN-UHFFFAOYSA-N	-1	0	300.723	0.917	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)c(Cl)c1	ZINC000126065517	395909554	/nfs/dbraw/zinc/90/95/54/395909554.db2.gz	DGGSAYMINRUNRK-UHFFFAOYSA-N	-1	0	300.723	0.917	20	30		DCEDRM
COCC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230324422	395881041	/nfs/dbraw/zinc/88/10/41/395881041.db2.gz	KMRRXPQHHGTLFX-MRVPVSSYSA-N	-1	0	304.349	0.388	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000159594163	396069216	/nfs/dbraw/zinc/06/92/16/396069216.db2.gz	DOSCLXYZFFZJTP-SNVBAGLBSA-N	-1	0	300.292	0.902	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)cn1	ZINC000159596499	396069332	/nfs/dbraw/zinc/06/93/32/396069332.db2.gz	YPVRCSIWOQBPDJ-UHFFFAOYSA-N	-1	0	309.347	0.875	20	30		DCEDRM
COCCS(=O)(=O)[N-]c1nnc(-c2cccc(C#N)c2)o1	ZINC000278592095	396134136	/nfs/dbraw/zinc/13/41/36/396134136.db2.gz	PYRPUDHRNBVIES-UHFFFAOYSA-N	-1	0	308.319	0.996	20	30		DCEDRM
CC(C)CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000515656511	396507752	/nfs/dbraw/zinc/50/77/52/396507752.db2.gz	HINSJFFNDUDKDI-NSHDSACASA-N	-1	0	305.400	0.898	20	30		DCEDRM
COC[C@H](CCO)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000270366457	396465046	/nfs/dbraw/zinc/46/50/46/396465046.db2.gz	ILURYFOLBWKUJN-VIFPVBQESA-N	-1	0	320.317	0.512	20	30		DCEDRM
C[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(=O)[O-]	ZINC000594528083	396484061	/nfs/dbraw/zinc/48/40/61/396484061.db2.gz	JSWNDABFQFUSRE-LLVKDONJSA-N	-1	0	317.349	0.506	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(=O)[O-]	ZINC000595238147	396567815	/nfs/dbraw/zinc/56/78/15/396567815.db2.gz	OMQANQXXQLOHOD-MRVPVSSYSA-N	-1	0	306.322	0.643	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-]	ZINC000541000040	396610246	/nfs/dbraw/zinc/61/02/46/396610246.db2.gz	BNWWDFDBHLCBGF-CQSZACIVSA-N	-1	0	322.386	0.746	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)c2cc(O)cc(C#N)c2)n[n-]1	ZINC000589175183	396707238	/nfs/dbraw/zinc/70/72/38/396707238.db2.gz	UUZIEBMQAQSVSJ-UHFFFAOYSA-N	-1	0	307.291	0.038	20	30		DCEDRM
CCOC[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000589546380	396717878	/nfs/dbraw/zinc/71/78/78/396717878.db2.gz	RQIMCBYLUDHLOP-JTQLQIEISA-N	-1	0	316.310	0.465	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(CCC#N)CCN2CCOCC2)c1[O-]	ZINC000610987073	396798647	/nfs/dbraw/zinc/79/86/47/396798647.db2.gz	BKDCONJLLOKKEW-UHFFFAOYSA-N	-1	0	307.354	0.112	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C1	ZINC000629780991	396831016	/nfs/dbraw/zinc/83/10/16/396831016.db2.gz	VMOOCMOHJWFFHO-UPJWGTAASA-N	-1	0	308.378	0.980	20	30		DCEDRM
COCCN(CCC#N)C(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000591563587	396928570	/nfs/dbraw/zinc/92/85/70/396928570.db2.gz	PEUKVCZZQMOQIM-UHFFFAOYSA-N	-1	0	319.317	0.712	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1	ZINC000591568457	396930668	/nfs/dbraw/zinc/93/06/68/396930668.db2.gz	GTGHPOQXYCLFKR-LRDDRELGSA-N	-1	0	321.377	0.852	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)C(=O)[O-]	ZINC000630316660	396983328	/nfs/dbraw/zinc/98/33/28/396983328.db2.gz	GBPZTIRENPASKM-GFCCVEGCSA-N	-1	0	311.382	0.916	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CSCN1C(=O)CC)C(=O)[O-]	ZINC000630326667	396984463	/nfs/dbraw/zinc/98/44/63/396984463.db2.gz	RSWIEFDRQBEGHM-UWVGGRQHSA-N	-1	0	300.380	0.834	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC000630438103	397021051	/nfs/dbraw/zinc/02/10/51/397021051.db2.gz	LTKAKWMQLBNZND-OUAUKWLOSA-N	-1	0	306.384	0.349	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)c1	ZINC000619470385	397135287	/nfs/dbraw/zinc/13/52/87/397135287.db2.gz	MHWAOIDAUOPBCF-AAEUAGOBSA-N	-1	0	324.358	0.521	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2COCC[C@H]2O)c(F)c1	ZINC000601518986	397162712	/nfs/dbraw/zinc/16/27/12/397162712.db2.gz	GTNPXTBGPCEDJW-GHMZBOCLSA-N	-1	0	318.301	0.265	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000362129088	397168514	/nfs/dbraw/zinc/16/85/14/397168514.db2.gz	JTHKWFUYEQBFKW-WOPDTQHZSA-N	-1	0	315.395	0.794	20	30		DCEDRM
CC[C@H](CSC)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602133920	397315201	/nfs/dbraw/zinc/31/52/01/397315201.db2.gz	UIMURNTWFRVZBV-SNVBAGLBSA-N	-1	0	310.379	0.421	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCc3ccccc3C2)c(=O)[n-]c1=O	ZINC000602029494	397287655	/nfs/dbraw/zinc/28/76/55/397287655.db2.gz	GQPGGHWQAQAZFC-UHFFFAOYSA-N	-1	0	310.313	0.405	20	30		DCEDRM
CN(C[C@@H]1CC1(C)C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602191979	397339410	/nfs/dbraw/zinc/33/94/10/397339410.db2.gz	ZOAHNRQOINYLDF-NSHDSACASA-N	-1	0	304.350	0.715	20	30		DCEDRM
N#CCC1(CS(=O)(=O)NC2(C(=O)[O-])CCOCC2)CC1	ZINC000593271219	397346347	/nfs/dbraw/zinc/34/63/47/397346347.db2.gz	CRFNOWUDABMLIQ-UHFFFAOYSA-N	-1	0	302.352	0.233	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N(CCO)CCC(=O)[O-])c1C#N	ZINC000614376018	397428870	/nfs/dbraw/zinc/42/88/70/397428870.db2.gz	VZOFKZOFKTVJHC-UHFFFAOYSA-N	-1	0	312.347	0.324	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CCO[C@@H](C#N)C2)c1	ZINC000424657045	397401147	/nfs/dbraw/zinc/40/11/47/397401147.db2.gz	ZBJNNWGUZVLFFX-LAJNKCICSA-N	-1	0	308.359	0.554	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCSC[C@H](C(=O)[O-])C2)nn1	ZINC000621607414	397404411	/nfs/dbraw/zinc/40/44/11/397404411.db2.gz	UCQKDGYPOZVIDK-SNVBAGLBSA-N	-1	0	310.379	0.744	20	30		DCEDRM
N#CCOc1ccc(C=CC(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000493403284	397527505	/nfs/dbraw/zinc/52/75/05/397527505.db2.gz	SNKPNUCZRDCYMC-UTCJRWHESA-N	-1	0	314.301	0.637	20	30		DCEDRM
Cc1nc(SCC(=O)NCc2nnn[n-]2)c(C#N)c(C)c1C	ZINC000609532092	397778709	/nfs/dbraw/zinc/77/87/09/397778709.db2.gz	FQKXDIFWCCUJDK-UHFFFAOYSA-N	-1	0	317.378	0.800	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)[n-]c1C#N	ZINC000130054796	158293889	/nfs/dbraw/zinc/29/38/89/158293889.db2.gz	TWKMIVYAVFBPSW-SNVBAGLBSA-N	-1	0	312.333	0.740	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)cc1	ZINC000170932768	158378636	/nfs/dbraw/zinc/37/86/36/158378636.db2.gz	JNVQTNXNMKGJNE-UHFFFAOYSA-N	-1	0	300.303	0.797	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)s1	ZINC000408406007	160102117	/nfs/dbraw/zinc/10/21/17/160102117.db2.gz	GHAFIUPMMKZELJ-VIFPVBQESA-N	-1	0	300.361	0.858	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000408481216	160117899	/nfs/dbraw/zinc/11/78/99/160117899.db2.gz	FJUDRDGDEDPTAO-NSHDSACASA-N	-1	0	311.363	0.525	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC[C@H](c3nnn[n-]3)C2)nc1	ZINC000539324367	412314739	/nfs/dbraw/zinc/31/47/39/412314739.db2.gz	GYWMNAPSEFXMLG-NSHDSACASA-N	-1	0	312.337	0.284	20	30		DCEDRM
CCOC(=O)c1cnc([N-]S(=O)(=O)c2ccc(C#N)o2)n1C	ZINC000342563379	415209975	/nfs/dbraw/zinc/20/99/75/415209975.db2.gz	DIRIANYUEFPXDP-UHFFFAOYSA-N	-1	0	324.318	0.862	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)c2cc(F)c(F)c([O-])c2F)n1	ZINC000342893193	415342209	/nfs/dbraw/zinc/34/22/09/415342209.db2.gz	PXHYXMKVDDZAHO-UHFFFAOYSA-N	-1	0	311.223	0.703	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000295277248	415889330	/nfs/dbraw/zinc/88/93/30/415889330.db2.gz	IGKWJNPNQUOERM-VXGBXAGGSA-N	-1	0	321.381	0.550	20	30		DCEDRM
CC(C)(C)N1C[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1=O	ZINC000356661732	415970720	/nfs/dbraw/zinc/97/07/20/415970720.db2.gz	ACKMPEAGPHXFAV-MRVPVSSYSA-N	-1	0	300.322	0.739	20	30		DCEDRM
C=CCN1C(=O)c2ccc(C(=O)NCCC(=O)[O-])cc2C1=O	ZINC000345202522	416059517	/nfs/dbraw/zinc/05/95/17/416059517.db2.gz	AVVFHZFQAZNLLA-UHFFFAOYSA-N	-1	0	302.286	0.673	20	30		DCEDRM
N#Cc1cccc(-c2cc(C(=O)NCc3n[nH]c(=O)[n-]3)on2)c1	ZINC000345232831	416064669	/nfs/dbraw/zinc/06/46/69/416064669.db2.gz	DTAWERTYNZYRIW-UHFFFAOYSA-N	-1	0	310.273	0.967	20	30		DCEDRM
CCNC(=O)CN(CC)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000357721464	416121148	/nfs/dbraw/zinc/12/11/48/416121148.db2.gz	LFSYZDIGSHQHBB-UHFFFAOYSA-N	-1	0	322.390	0.979	20	30		DCEDRM
Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cc(C#N)c[nH]1	ZINC000177857566	416152357	/nfs/dbraw/zinc/15/23/57/416152357.db2.gz	UEIDXFHJALEKRQ-UHFFFAOYSA-N	-1	0	310.317	0.769	20	30		DCEDRM
N#CCC1(O)CN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1	ZINC000193977163	416320995	/nfs/dbraw/zinc/32/09/95/416320995.db2.gz	SZNOEHSNJAKHNR-UHFFFAOYSA-N	-1	0	316.292	0.818	20	30		DCEDRM
CCS(=O)(=O)C[C@@H](C)N(C)C([O-])=Nc1cccn(C)c1=O	ZINC000331252860	416295426	/nfs/dbraw/zinc/29/54/26/416295426.db2.gz	QTUADAOXSYULBB-SNVBAGLBSA-N	-1	0	315.395	0.686	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000420591813	416418951	/nfs/dbraw/zinc/41/89/51/416418951.db2.gz	XTQCZUFEPUPOMH-UPJWGTAASA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000420592883	416419270	/nfs/dbraw/zinc/41/92/70/416419270.db2.gz	ZLJSOMTYPARFCN-WOPDTQHZSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000584175939	416506465	/nfs/dbraw/zinc/50/64/65/416506465.db2.gz	QDIUBSNUFQYQFT-RNFRBKRXSA-N	-1	0	317.289	0.460	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CC[C@@H](C)[C@H](C(=O)[O-])C2)nc1	ZINC000491636113	416607792	/nfs/dbraw/zinc/60/77/92/416607792.db2.gz	WZKYQAJMJQIPCH-DGCLKSJQSA-N	-1	0	301.346	0.992	20	30		DCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000362607157	416568833	/nfs/dbraw/zinc/56/88/33/416568833.db2.gz	TXPHDTXPRDTGPI-JTQLQIEISA-N	-1	0	314.301	1.245	20	30		DCEDRM
C#CC(C)(C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000490948673	416581196	/nfs/dbraw/zinc/58/11/96/416581196.db2.gz	GMGUOHRWLAPPPP-UHFFFAOYSA-N	-1	0	310.375	0.784	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000490975871	416581351	/nfs/dbraw/zinc/58/13/51/416581351.db2.gz	VZZLODPQZKUVLI-UHFFFAOYSA-N	-1	0	307.327	0.651	20	30		DCEDRM
CCC(CC)(CNc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)[O-]	ZINC000424464486	416650133	/nfs/dbraw/zinc/65/01/33/416650133.db2.gz	DKNMKZMSYDUOLD-UHFFFAOYSA-N	-1	0	308.338	0.259	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)N=c1cccn[n-]1	ZINC000611557664	416664382	/nfs/dbraw/zinc/66/43/82/416664382.db2.gz	YBTDJVKBJYKYQV-UHFFFAOYSA-N	-1	0	300.326	0.172	20	30		DCEDRM
N#Cc1ccncc1N1CCN(C(=O)NCCCC(=O)[O-])CC1	ZINC000556907457	416720409	/nfs/dbraw/zinc/72/04/09/416720409.db2.gz	ASHHGYPKAUFEOK-UHFFFAOYSA-N	-1	0	317.349	0.650	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC000562460396	416867413	/nfs/dbraw/zinc/86/74/13/416867413.db2.gz	ZGZXAEVJKUEXGN-WRWGMCAJSA-N	-1	0	300.355	0.897	20	30		DCEDRM
CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000563621499	416885421	/nfs/dbraw/zinc/88/54/21/416885421.db2.gz	AAHQBWPCDVGSDT-ZYHUDNBSSA-N	-1	0	303.384	0.794	20	30		DCEDRM
CC1(C)CCN(S(=O)(=O)c2cncc(C#N)c2)[C@@H]1C(=O)[O-]	ZINC000565762658	417012490	/nfs/dbraw/zinc/01/24/90/417012490.db2.gz	WZPRAYGRUOCTOF-LLVKDONJSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)C[C@@H]1C(=O)[O-]	ZINC000566974260	417057309	/nfs/dbraw/zinc/05/73/09/417057309.db2.gz	WYIWSDPANDAYPC-PWSUYJOCSA-N	-1	0	307.350	0.318	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cn2)oc1C	ZINC000432350625	417174273	/nfs/dbraw/zinc/17/42/73/417174273.db2.gz	ZINAFJJQOLFRQN-UHFFFAOYSA-N	-1	0	321.314	1.442	20	30		DCEDRM
CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000573450047	417472091	/nfs/dbraw/zinc/47/20/91/417472091.db2.gz	XUMZRFLIYQBABP-MNOVXSKESA-N	-1	0	305.400	0.754	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)C)C(=O)[O-]	ZINC000455879369	417619069	/nfs/dbraw/zinc/61/90/69/417619069.db2.gz	QCMUYCLXWYKWFQ-RYUDHWBXSA-N	-1	0	312.366	0.405	20	30		DCEDRM
C=CC(C)(C)CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000629333051	417779854	/nfs/dbraw/zinc/77/98/54/417779854.db2.gz	WIWKIKKEHDGGQK-UHFFFAOYSA-N	-1	0	301.368	0.848	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)C(=O)[O-]	ZINC000646046756	417861848	/nfs/dbraw/zinc/86/18/48/417861848.db2.gz	WYNHIUOGQGCJQQ-GHMZBOCLSA-N	-1	0	307.368	0.131	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000652071189	417843238	/nfs/dbraw/zinc/84/32/38/417843238.db2.gz	LDHKLXZZJIDIEF-GFCCVEGCSA-N	-1	0	307.350	0.534	20	30		DCEDRM
C=CCN(C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)C1CC1	ZINC000659060060	418051585	/nfs/dbraw/zinc/05/15/85/418051585.db2.gz	XMVGFSUCXVFOIC-UHFFFAOYSA-N	-1	0	320.349	0.818	20	30		DCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659653008	418136561	/nfs/dbraw/zinc/13/65/61/418136561.db2.gz	QCZMIHQHKTZHIM-UEKVPHQBSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)[C@@H](C)COC	ZINC000659663473	418139673	/nfs/dbraw/zinc/13/96/73/418139673.db2.gz	ZGXMWPMSLACNHV-NWDGAFQWSA-N	-1	0	314.382	0.509	20	30		DCEDRM
C=CCOCCCNC(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000656595415	418365302	/nfs/dbraw/zinc/36/53/02/418365302.db2.gz	JKXQMJSKWFAUEV-GFCCVEGCSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000417414323	262251928	/nfs/dbraw/zinc/25/19/28/262251928.db2.gz	CSCHFDVWZAZVMG-QMMMGPOBSA-N	-1	0	300.311	0.980	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)c1C#N	ZINC000548529816	288150701	/nfs/dbraw/zinc/15/07/01/288150701.db2.gz	NLQWRQFPBYXLOR-MFKMUULPSA-N	-1	0	324.358	0.635	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)CSCC(=O)[O-])CC2)c1	ZINC000563115215	288632795	/nfs/dbraw/zinc/63/27/95/288632795.db2.gz	WXVSLSZKVSDGGY-UHFFFAOYSA-N	-1	0	320.374	0.420	20	30		DCEDRM
Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCOC[C@H]1C#N	ZINC000273850721	300948051	/nfs/dbraw/zinc/94/80/51/300948051.db2.gz	YEEXQNRIUCJLQI-SNVBAGLBSA-N	-1	0	310.331	0.606	20	30		DCEDRM
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NCC#N	ZINC001654048514	1173798546	/nfs/dbraw/zinc/79/85/46/1173798546.db2.gz	WOZXOSBCSLVYCV-IUCAKERBSA-N	-1	0	306.288	0.158	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cnccc1C)C(=O)[O-]	ZINC000584289677	332218698	/nfs/dbraw/zinc/21/86/98/332218698.db2.gz	BDNJFZFLJRTQEH-JTQLQIEISA-N	-1	0	300.336	0.324	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000573924359	332296325	/nfs/dbraw/zinc/29/63/25/332296325.db2.gz	DTNHFIUESXPXOG-WDEREUQCSA-N	-1	0	305.400	0.659	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-]	ZINC000566312311	332335270	/nfs/dbraw/zinc/33/52/70/332335270.db2.gz	MDTKSYGFMAJFKE-MWLCHTKSSA-N	-1	0	315.351	0.201	20	30		DCEDRM
N#CCNC(=O)CNC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000569708858	332667320	/nfs/dbraw/zinc/66/73/20/332667320.db2.gz	YQYCSNVHBMJMRB-UHFFFAOYSA-N	-1	0	301.224	0.781	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)N1CCC(CCC#N)CC1)C(=O)[O-]	ZINC000565422089	333503554	/nfs/dbraw/zinc/50/35/54/333503554.db2.gz	LIMFHDWZDSARGD-LLVKDONJSA-N	-1	0	309.366	0.708	20	30		DCEDRM
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])c1	ZINC000340235780	334153739	/nfs/dbraw/zinc/15/37/39/334153739.db2.gz	MINRTYDQCVHBEN-VIFPVBQESA-N	-1	0	312.347	0.354	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCCC(=O)[O-]	ZINC000584351656	336066738	/nfs/dbraw/zinc/06/67/38/336066738.db2.gz	XSFVKXBCHMVDNC-UHFFFAOYSA-N	-1	0	303.318	0.498	20	30		DCEDRM
Cc1noc(CN2CCN(C(=O)N=c3cn[n-]s3)CC2)n1	ZINC000330255548	336130360	/nfs/dbraw/zinc/13/03/60/336130360.db2.gz	KALVXEVPWPAATJ-UHFFFAOYSA-N	-1	0	309.355	0.593	20	30		DCEDRM
CCOC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000583845957	337342952	/nfs/dbraw/zinc/34/29/52/337342952.db2.gz	AZBZIZHHFDXZAW-MRVPVSSYSA-N	-1	0	304.349	0.388	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000422704754	337683562	/nfs/dbraw/zinc/68/35/62/337683562.db2.gz	QISXCSFZAKNGOV-NEPJUHHUSA-N	-1	0	312.366	0.265	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCC[C@@H](C)CC(=O)[O-]	ZINC000515064137	337977933	/nfs/dbraw/zinc/97/79/33/337977933.db2.gz	JLWLSHUYNIRSIK-GHMZBOCLSA-N	-1	0	305.400	0.803	20	30		DCEDRM
CNS(=O)(=O)c1cc(C(=O)N[C@@](C)(C#N)COC)c(C)o1	ZINC000433972276	338205774	/nfs/dbraw/zinc/20/57/74/338205774.db2.gz	PCJRIXCWYKZMON-LBPRGKRZSA-N	-1	0	315.351	0.155	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)/C=C/c1ccccc1	ZINC000492322196	339897613	/nfs/dbraw/zinc/89/76/13/339897613.db2.gz	LBSBGARDBBTQOA-VMPCVLLUSA-N	-1	0	322.386	0.837	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1ccc2c(c1)OCO2	ZINC000493148705	339918418	/nfs/dbraw/zinc/91/84/18/339918418.db2.gz	HYSFQNHXEJPWOE-ALCCZGGFSA-N	-1	0	307.327	0.898	20	30		DCEDRM
C=CCC[C@H](NC(=O)CNC(=O)/C=C\c1cccnc1)C(=O)[O-]	ZINC000493284904	339922046	/nfs/dbraw/zinc/92/20/46/339922046.db2.gz	FKQHDLSJBRQYPJ-WSROAFLRSA-N	-1	0	317.345	0.747	20	30		DCEDRM
N#C[C@H](c1ccccc1)N1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1	ZINC000545912078	341145653	/nfs/dbraw/zinc/14/56/53/341145653.db2.gz	GIMGQRLEFVLVHU-GFCCVEGCSA-N	-1	0	312.333	0.533	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@H](CCO)C(=O)[O-])CCCCC1	ZINC000548525101	341265774	/nfs/dbraw/zinc/26/57/74/341265774.db2.gz	OAVTWIVXJQZNTQ-SNVBAGLBSA-N	-1	0	304.368	0.215	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)[O-]	ZINC000555844730	341490664	/nfs/dbraw/zinc/49/06/64/341490664.db2.gz	HSRARJFSTVXJRD-RVMXOQNASA-N	-1	0	324.377	0.899	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1C	ZINC000565057424	341516197	/nfs/dbraw/zinc/51/61/97/341516197.db2.gz	GISZQAGVQLSEBZ-UTLUCORTSA-N	-1	0	321.424	0.561	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@](CC)(C(=O)[O-])C1	ZINC000565776867	341537878	/nfs/dbraw/zinc/53/78/78/341537878.db2.gz	HPLTUKUERYYJOU-YPMHNXCESA-N	-1	0	317.411	0.899	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000566908958	341571372	/nfs/dbraw/zinc/57/13/72/341571372.db2.gz	OSKVKJSNEODWQL-LLVKDONJSA-N	-1	0	320.345	0.933	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000420588751	534315976	/nfs/dbraw/zinc/31/59/76/534315976.db2.gz	SPUOWGADZWWDLS-MQIPJXDCSA-N	-1	0	324.377	0.407	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000261651934	522687000	/nfs/dbraw/zinc/68/70/00/522687000.db2.gz	HRMKWVYZYVYWTJ-UHFFFAOYSA-N	-1	0	304.274	0.932	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCC)C(=O)[O-]	ZINC000262894757	526789050	/nfs/dbraw/zinc/78/90/50/526789050.db2.gz	DGTQXSYPAJQDAO-NEPJUHHUSA-N	-1	0	312.366	0.550	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])n1	ZINC000248574771	526797642	/nfs/dbraw/zinc/79/76/42/526797642.db2.gz	UMQPACIVSBCWKU-MXWKQRLJSA-N	-1	0	303.322	0.394	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000263130719	526804118	/nfs/dbraw/zinc/80/41/18/526804118.db2.gz	VYRQXLDMHICRJF-LBPRGKRZSA-N	-1	0	321.329	0.772	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-]	ZINC000159577180	527175874	/nfs/dbraw/zinc/17/58/74/527175874.db2.gz	HBTVIVLWQLLUQG-JTQLQIEISA-N	-1	0	312.303	0.658	20	30		DCEDRM
C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)NC)o1)C(=O)[O-]	ZINC000262768631	527481766	/nfs/dbraw/zinc/48/17/66/527481766.db2.gz	ADESPFWFQCUMOU-QMMMGPOBSA-N	-1	0	316.335	0.337	20	30		DCEDRM
C=CCC[C@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)[O-]	ZINC000262872098	527482765	/nfs/dbraw/zinc/48/27/65/527482765.db2.gz	JROUEPLOTIQZAB-QMMMGPOBSA-N	-1	0	318.376	0.545	20	30		DCEDRM
N#CCCn1ccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1	ZINC000819090796	596960369	/nfs/dbraw/zinc/96/03/69/596960369.db2.gz	CRTZLIHGLSYCDI-UHFFFAOYSA-N	-1	0	319.321	0.058	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)NCCCC(=O)[O-])CC2)c1	ZINC000263488927	597307964	/nfs/dbraw/zinc/30/79/64/597307964.db2.gz	QJGNMIDFGRBMHJ-UHFFFAOYSA-N	-1	0	317.349	0.650	20	30		DCEDRM
CON=Cc1ccc(C(=O)OCc2cn(CC(=O)[O-])nn2)cc1	ZINC000820749002	597357497	/nfs/dbraw/zinc/35/74/97/597357497.db2.gz	DBPZDTVZICOCHH-UHFFFAOYSA-N	-1	0	318.289	0.700	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1COC2(CCOCC2)O1	ZINC000819835027	597608904	/nfs/dbraw/zinc/60/89/04/597608904.db2.gz	RNUZAXSGQCPEAQ-GWCFXTLKSA-N	-1	0	312.322	0.029	20	30		DCEDRM
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000819875593	597610975	/nfs/dbraw/zinc/61/09/75/597610975.db2.gz	ZKICUTGJIJQODK-JTQLQIEISA-N	-1	0	319.317	0.897	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC1(CS(C)(=O)=O)CCC1	ZINC000819865697	597616596	/nfs/dbraw/zinc/61/65/96/597616596.db2.gz	NNDCPLSULDZFGB-LBPRGKRZSA-N	-1	0	317.363	0.749	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1nnc2n1CCCCC2	ZINC000819842830	597630084	/nfs/dbraw/zinc/63/00/84/597630084.db2.gz	VGZDAJFHBZEYHI-HNNXBMFYSA-N	-1	0	319.365	0.668	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nnc2n1CCCCC2	ZINC000819847508	597630097	/nfs/dbraw/zinc/63/00/97/597630097.db2.gz	NHXFIHNOVGTMJI-CQSZACIVSA-N	-1	0	305.338	0.625	20	30		DCEDRM
CCc1n[nH]c(=O)c(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1CC	ZINC000820493080	597657264	/nfs/dbraw/zinc/65/72/64/597657264.db2.gz	ZGINFCRNPOMKHX-HNNXBMFYSA-N	-1	0	320.349	0.928	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1	ZINC000819857082	597659999	/nfs/dbraw/zinc/65/99/99/597659999.db2.gz	RGPLQAJCMUSIBI-AWEZNQCLSA-N	-1	0	315.289	0.605	20	30		DCEDRM
C#Cc1ccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cn1	ZINC000819706247	597686720	/nfs/dbraw/zinc/68/67/20/597686720.db2.gz	RPADPEZZXHERMA-JTQLQIEISA-N	-1	0	303.318	0.114	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NCCCC(=O)[O-])nn1CCC#N	ZINC000820997110	598093890	/nfs/dbraw/zinc/09/38/90/598093890.db2.gz	UQCUXLQOEGUQKR-UHFFFAOYSA-N	-1	0	307.310	0.025	20	30		DCEDRM
Cc1cc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)nn1CCC#N	ZINC000821023779	598198630	/nfs/dbraw/zinc/19/86/30/598198630.db2.gz	LAXXNUXFSXAHFM-SNVBAGLBSA-N	-1	0	307.310	0.423	20	30		DCEDRM
COC(=O)c1c[nH]c(=O)c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000820677250	598224339	/nfs/dbraw/zinc/22/43/39/598224339.db2.gz	BXDJMRJFIBRFML-CYBMUJFWSA-N	-1	0	307.262	0.517	20	30		DCEDRM
Cc1cccc(C(=O)NCCNC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000821107178	598225109	/nfs/dbraw/zinc/22/51/09/598225109.db2.gz	NKVGDSLNIIZZJD-INIZCTEOSA-N	-1	0	317.345	0.846	20	30		DCEDRM
CC(C)(C)S(=O)(=O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819843228	598227444	/nfs/dbraw/zinc/22/74/44/598227444.db2.gz	ZLVCLLGVQIQMOF-GFCCVEGCSA-N	-1	0	304.368	0.320	20	30		DCEDRM
CN(CC(=O)NCc1ccccc1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820562677	598228242	/nfs/dbraw/zinc/22/82/42/598228242.db2.gz	QNGYJBQSHXONPK-MRXNPFEDSA-N	-1	0	317.345	0.766	20	30		DCEDRM
Cc1cccc(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC000737392556	598369945	/nfs/dbraw/zinc/36/99/45/598369945.db2.gz	YFYVTWNIKKINQC-UHFFFAOYSA-N	-1	0	308.305	0.951	20	30		DCEDRM
N#Cc1ccc(NC(=O)Cn2cccc(-c3nnn[n-]3)c2=O)cc1	ZINC000737715881	598677456	/nfs/dbraw/zinc/67/74/56/598677456.db2.gz	GTSFMRDMOQVTCC-UHFFFAOYSA-N	-1	0	321.300	0.539	20	30		DCEDRM
C[C@H]1CC[C@H](CCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)O1	ZINC000820689944	599313974	/nfs/dbraw/zinc/31/39/74/599313974.db2.gz	FDBMOWSIVUGKHK-JGVFFNPUSA-N	-1	0	316.325	0.748	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)CCNC(=O)[O-])CC2)nc1	ZINC000739122518	599725471	/nfs/dbraw/zinc/72/54/71/599725471.db2.gz	HOJYCSBEMLYDKD-UHFFFAOYSA-N	-1	0	303.322	0.260	20	30		DCEDRM
N#Cc1ccc(N2CCN(CC(=O)NCC(=O)[O-])CC2)c(F)c1	ZINC000739122460	599753333	/nfs/dbraw/zinc/75/33/33/599753333.db2.gz	GFMLQVKIWSRDFP-UHFFFAOYSA-N	-1	0	320.324	0.020	20	30		DCEDRM
C#CCN(Cc1cc(C(=O)[O-])oc1C)[C@@H]1CCS(=O)(=O)C1	ZINC000736080430	599927987	/nfs/dbraw/zinc/92/79/87/599927987.db2.gz	WCPGYHQRYQZKMK-GFCCVEGCSA-N	-1	0	311.359	0.909	20	30		DCEDRM
N#Cc1ccc(SCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000738434857	599938752	/nfs/dbraw/zinc/93/87/52/599938752.db2.gz	QHPCEFUOPQBZKY-GFCCVEGCSA-N	-1	0	306.343	0.962	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CCN1CCO[C@H](C(=O)[O-])C1	ZINC000043704082	599977325	/nfs/dbraw/zinc/97/73/25/599977325.db2.gz	IFZXUVCBSPZRKZ-JTQLQIEISA-N	-1	0	309.347	0.734	20	30		DCEDRM
N#Cc1ccc(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)cc1	ZINC000739119178	600031688	/nfs/dbraw/zinc/03/16/88/600031688.db2.gz	ZCXFMMVRUQPPKI-UHFFFAOYSA-N	-1	0	309.285	0.598	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)c2ccc(C(=O)[O-])cc2)c1N	ZINC000739145929	600101197	/nfs/dbraw/zinc/10/11/97/600101197.db2.gz	WTFOHSLIVPIWGP-UHFFFAOYSA-N	-1	0	300.274	0.892	20	30		DCEDRM
N#Cc1ccc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cc1	ZINC000739119306	600104758	/nfs/dbraw/zinc/10/47/58/600104758.db2.gz	YSNGJEVFIAODRV-CABCVRRESA-N	-1	0	313.357	0.923	20	30		DCEDRM
N#Cc1ccc(CN2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cc1	ZINC000739119309	600104777	/nfs/dbraw/zinc/10/47/77/600104777.db2.gz	YSNGJEVFIAODRV-LSDHHAIUSA-N	-1	0	313.357	0.923	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c1	ZINC000739142329	600107753	/nfs/dbraw/zinc/10/77/53/600107753.db2.gz	KLJOZDHMXMJGEX-NEPJUHHUSA-N	-1	0	300.318	0.323	20	30		DCEDRM
C#Cc1ccc(C(=O)OCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)cn1	ZINC000736093769	600119304	/nfs/dbraw/zinc/11/93/04/600119304.db2.gz	ZTPNBIBBFANQHM-IINYFYTJSA-N	-1	0	318.329	0.835	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)C(=O)[O-]	ZINC000736588387	600346968	/nfs/dbraw/zinc/34/69/68/600346968.db2.gz	OUIHNNVUJQLKNF-VIFPVBQESA-N	-1	0	305.290	0.364	20	30		DCEDRM
COc1ccc(-n2ccc(C(=O)N(CC#N)CC(=O)[O-])n2)cc1	ZINC000737918023	600406398	/nfs/dbraw/zinc/40/63/98/600406398.db2.gz	PBSOORSZGUPCTP-UHFFFAOYSA-N	-1	0	314.301	0.931	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)COc1ccc([N+](=O)[O-])c(F)c1	ZINC000739079015	600407849	/nfs/dbraw/zinc/40/78/49/600407849.db2.gz	PARMIIQKCXJVOB-UHFFFAOYSA-N	-1	0	311.225	0.549	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000071228189	600738942	/nfs/dbraw/zinc/73/89/42/600738942.db2.gz	HFLQDUFMHNFNET-UHFFFAOYSA-N	-1	0	301.324	0.264	20	30		DCEDRM
Cc1nn(C(C)C)c(C)c1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC000738901537	600764449	/nfs/dbraw/zinc/76/44/49/600764449.db2.gz	UROSOWOMBZPQBH-UHFFFAOYSA-N	-1	0	314.367	0.680	20	30		DCEDRM
CCOC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC000737135351	600794162	/nfs/dbraw/zinc/79/41/62/600794162.db2.gz	JNSBUXUSQRWTIB-KBPBESRZSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C#CCN(CC#CC)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000825608487	600836644	/nfs/dbraw/zinc/83/66/44/600836644.db2.gz	ACMHVDNXNRCNIR-QGZVFWFLSA-N	-1	0	324.380	0.983	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCC(=O)[O-]	ZINC000817675474	600897354	/nfs/dbraw/zinc/89/73/54/600897354.db2.gz	ZBUBYRARCBEPIK-UHFFFAOYSA-N	-1	0	308.265	0.367	20	30		DCEDRM
COc1ccc(CN(C)C(=O)CN(CC#N)CC(=O)[O-])cc1	ZINC000832304577	601226096	/nfs/dbraw/zinc/22/60/96/601226096.db2.gz	PULQRNKLJFHOJZ-UHFFFAOYSA-N	-1	0	305.334	0.564	20	30		DCEDRM
CN(CC(=O)N1CCOCC1)[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000830669463	601317988	/nfs/dbraw/zinc/31/79/88/601317988.db2.gz	BZYTUIUYLPVOEU-HNNXBMFYSA-N	-1	0	317.345	0.475	20	30		DCEDRM
Cc1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)nnn1C	ZINC000832854072	601354901	/nfs/dbraw/zinc/35/49/01/601354901.db2.gz	SQDGIGOVTXZBCA-GFCCVEGCSA-N	-1	0	300.274	0.978	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000833068117	601391386	/nfs/dbraw/zinc/39/13/86/601391386.db2.gz	OCQKJRAVOSXFEU-LBPRGKRZSA-N	-1	0	316.285	0.885	20	30		DCEDRM
CCOC(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])o1	ZINC000829881618	601395488	/nfs/dbraw/zinc/39/54/88/601395488.db2.gz	POMPISCTCQIERF-UHFFFAOYSA-N	-1	0	316.291	0.055	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1	ZINC000833073543	601481739	/nfs/dbraw/zinc/48/17/39/601481739.db2.gz	QQWRHYRKUDNZCR-CQSZACIVSA-N	-1	0	305.265	0.522	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1	ZINC000825636134	601490860	/nfs/dbraw/zinc/49/08/60/601490860.db2.gz	CXPLNRGEIRDKNJ-ZDUSSCGKSA-N	-1	0	316.313	0.309	20	30		DCEDRM
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)C(=O)[O-]	ZINC000740227431	602253538	/nfs/dbraw/zinc/25/35/38/602253538.db2.gz	AZSHYTJAJVJSHY-SECBINFHSA-N	-1	0	315.333	0.740	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC000831540928	602296432	/nfs/dbraw/zinc/29/64/32/602296432.db2.gz	IBARBFGICRRKBS-HNNXBMFYSA-N	-1	0	321.333	0.811	20	30		DCEDRM
C#CCN1CCN(C(=O)CN(CC(=O)[O-])C2CCCC2)CC1	ZINC000825618857	602338805	/nfs/dbraw/zinc/33/88/05/602338805.db2.gz	FJRJBRVAWZVARS-UHFFFAOYSA-N	-1	0	307.394	0.093	20	30		DCEDRM
O=C([O-])[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCO1	ZINC000819299724	602352375	/nfs/dbraw/zinc/35/23/75/602352375.db2.gz	JBMPHHIFSIUUMK-CYBMUJFWSA-N	-1	0	303.270	0.079	20	30		DCEDRM
COc1cccc([C@H](C#N)NC(=O)CN(C)C(=O)[O-])c1OC	ZINC000738087803	602572417	/nfs/dbraw/zinc/57/24/17/602572417.db2.gz	DUQLCLIVWNNGAU-JTQLQIEISA-N	-1	0	307.306	0.994	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CCN1C1CC1	ZINC000831076451	602919440	/nfs/dbraw/zinc/91/94/40/602919440.db2.gz	MSBRNLLUUMXDJE-STQMWFEESA-N	-1	0	306.366	0.718	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CCN1C(=O)[O-]	ZINC000826074330	603122558	/nfs/dbraw/zinc/12/25/58/603122558.db2.gz	LJIUMBVZPHBDPS-JTQLQIEISA-N	-1	0	309.347	0.931	20	30		DCEDRM
C[C@H](CC(=O)N1CCN(c2ncccc2C#N)CC1)NC(=O)[O-]	ZINC000824598406	603264107	/nfs/dbraw/zinc/26/41/07/603264107.db2.gz	CSEYLFQNOBJJNN-LLVKDONJSA-N	-1	0	317.349	0.648	20	30		DCEDRM
CN1CCN(C(=O)c2cccc(C#N)c2)[C@H](CNC(=O)[O-])C1	ZINC000828513789	603505271	/nfs/dbraw/zinc/50/52/71/603505271.db2.gz	PYAMWJMIGYBAGU-CYBMUJFWSA-N	-1	0	302.334	0.582	20	30		DCEDRM
CC(=O)NCCCCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000823579532	603588163	/nfs/dbraw/zinc/58/81/63/603588163.db2.gz	JQIMDEZYHCGLGB-GFCCVEGCSA-N	-1	0	310.354	0.397	20	30		DCEDRM
COc1ccccc1OCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000829644939	603592228	/nfs/dbraw/zinc/59/22/28/603592228.db2.gz	WSUZPSDCVZEBED-NSHDSACASA-N	-1	0	319.317	0.788	20	30		DCEDRM
C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825063973	603597320	/nfs/dbraw/zinc/59/73/20/603597320.db2.gz	CIHOPLIIHAFUMN-VHSXEESVSA-N	-1	0	310.354	0.252	20	30		DCEDRM
CCCNC(=O)CCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826922117	603599197	/nfs/dbraw/zinc/59/91/97/603599197.db2.gz	UTWFPFVDDOBRRX-LLVKDONJSA-N	-1	0	310.354	0.397	20	30		DCEDRM
CSCC[C@@H](NC(=O)[O-])C(=O)N1CCN(CC#N)CC1	ZINC000829730497	603627417	/nfs/dbraw/zinc/62/74/17/603627417.db2.gz	NIYLXIAUUMJDLW-SNVBAGLBSA-N	-1	0	300.384	0.043	20	30		DCEDRM
C[C@H](CCNC(=O)C(=O)Nc1ccc(F)cc1C#N)NC(=O)[O-]	ZINC000824777240	603671808	/nfs/dbraw/zinc/67/18/08/603671808.db2.gz	QIXDAQQVFMKFIL-MRVPVSSYSA-N	-1	0	322.296	0.798	20	30		DCEDRM
C#CCCN1CCN(C(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1	ZINC000823444852	603720199	/nfs/dbraw/zinc/72/01/99/603720199.db2.gz	QSSBKIXOHSMONW-QWHCGFSZSA-N	-1	0	323.393	0.657	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C[C@H](O)COc1ccccc1	ZINC000831091777	603726430	/nfs/dbraw/zinc/72/64/30/603726430.db2.gz	KOSGBQYYOVBSJP-STQMWFEESA-N	-1	0	305.334	0.614	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)NCc1cccs1	ZINC000831091818	603728302	/nfs/dbraw/zinc/72/83/02/603728302.db2.gz	LPLAKCWAMDMKSP-JTQLQIEISA-N	-1	0	308.363	0.552	20	30		DCEDRM
C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825897095	603729221	/nfs/dbraw/zinc/72/92/21/603729221.db2.gz	VDKDMDHUUNLSMU-UPJWGTAASA-N	-1	0	308.382	0.869	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000831102443	603742858	/nfs/dbraw/zinc/74/28/58/603742858.db2.gz	JUVPOCWTNMNZSX-YPMHNXCESA-N	-1	0	319.317	0.318	20	30		DCEDRM
C[C@@H](NC(=O)[O-])C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000825177814	603745492	/nfs/dbraw/zinc/74/54/92/603745492.db2.gz	OMVFUNXHZCNEOC-VHSXEESVSA-N	-1	0	318.337	0.041	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C(C)(C)CNC(=O)[O-]	ZINC000823506780	603750237	/nfs/dbraw/zinc/75/02/37/603750237.db2.gz	MBEXVHPAMHWRBL-QMMMGPOBSA-N	-1	0	315.326	0.224	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCN1C1CC1	ZINC000831075747	603892811	/nfs/dbraw/zinc/89/28/11/603892811.db2.gz	CTEBYEPFRYRZLT-BXUZGUMPSA-N	-1	0	310.329	0.277	20	30		DCEDRM
C[C@H](C1CC1)N(C)S(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824544165	603917569	/nfs/dbraw/zinc/91/75/69/603917569.db2.gz	NSMOGQHXRSJQIW-KOLCDFICSA-N	-1	0	316.383	0.149	20	30		DCEDRM
C#CCNC(=O)COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-]	ZINC000823456893	603930286	/nfs/dbraw/zinc/93/02/86/603930286.db2.gz	RTLUMRTZOWIAHE-RYUDHWBXSA-N	-1	0	310.350	0.886	20	30		DCEDRM
C=CCCOCC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1	ZINC000823496492	603953244	/nfs/dbraw/zinc/95/32/44/603953244.db2.gz	KDPSDLNJKQRSOK-UHFFFAOYSA-N	-1	0	324.341	0.136	20	30		DCEDRM
CN(C(=O)COC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)C(C)(C)C#N	ZINC000827774872	604044304	/nfs/dbraw/zinc/04/43/04/604044304.db2.gz	NQDSWWYVTMEMDT-ZJUUUORDSA-N	-1	0	311.338	0.726	20	30		DCEDRM
COc1ccccc1NCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000829637383	604079850	/nfs/dbraw/zinc/07/98/50/604079850.db2.gz	AVRMLENGTALGQM-NSHDSACASA-N	-1	0	318.333	0.821	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc(NC(N)=O)c1	ZINC000831087600	604082320	/nfs/dbraw/zinc/08/23/20/604082320.db2.gz	NXXDHEMXYZCKPM-NSHDSACASA-N	-1	0	317.305	0.505	20	30		DCEDRM
COc1ccc(OCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000829500426	604083194	/nfs/dbraw/zinc/08/31/94/604083194.db2.gz	KJNMVMYCBGNTPN-NSHDSACASA-N	-1	0	319.317	0.788	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000831088150	604085680	/nfs/dbraw/zinc/08/56/80/604085680.db2.gz	YSWQBQYNTPBHIQ-VIFPVBQESA-N	-1	0	315.289	0.596	20	30		DCEDRM
CC(C)NC(=O)[C@@H](C#N)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000824368214	604220874	/nfs/dbraw/zinc/22/08/74/604220874.db2.gz	KQKAHJYAGDGUDK-QWRGUYRKSA-N	-1	0	311.338	0.379	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)CC1(NC(=O)[O-])CCC1)C1CC1	ZINC000823646472	604228966	/nfs/dbraw/zinc/22/89/66/604228966.db2.gz	CNDCKNQDZGLOEH-AWEZNQCLSA-N	-1	0	323.349	0.918	20	30		DCEDRM
C#CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1	ZINC000833366913	604517992	/nfs/dbraw/zinc/51/79/92/604517992.db2.gz	LQTZUEJQMCVOPU-CQSZACIVSA-N	-1	0	302.330	0.474	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000831126915	604694432	/nfs/dbraw/zinc/69/44/32/604694432.db2.gz	WPEVZEFBRYLPQR-ZDUSSCGKSA-N	-1	0	303.318	0.943	20	30		DCEDRM
N#Cc1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cn1	ZINC000833071385	604694997	/nfs/dbraw/zinc/69/49/97/604694997.db2.gz	GMXNXDOWUZELRW-UHFFFAOYSA-N	-1	0	301.262	0.029	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc(C#N)nc2)CCO1	ZINC000825335933	604728244	/nfs/dbraw/zinc/72/82/44/604728244.db2.gz	PVVHQZZALFMCJP-JOYOIKCWSA-N	-1	0	304.306	0.450	20	30		DCEDRM
CCC(=O)c1cccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000828580777	604806206	/nfs/dbraw/zinc/80/62/06/604806206.db2.gz	UYROWKPRPDDUBI-UHFFFAOYSA-N	-1	0	310.331	0.878	20	30		DCEDRM
O=C([O-])N1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000832009504	604814159	/nfs/dbraw/zinc/81/41/59/604814159.db2.gz	MDZJYNXYYKTXTN-UHFFFAOYSA-N	-1	0	316.313	0.979	20	30		DCEDRM
C#Cc1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cn1	ZINC000825636049	604838347	/nfs/dbraw/zinc/83/83/47/604838347.db2.gz	AIOKRXYYZLXJBB-UHFFFAOYSA-N	-1	0	300.274	0.139	20	30		DCEDRM
C#CCSCCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833368520	604892116	/nfs/dbraw/zinc/89/21/16/604892116.db2.gz	PTRLYJMJSKFQEP-NSHDSACASA-N	-1	0	300.380	0.220	20	30		DCEDRM
CC[C@@H](C)[C@@H](NC(=O)CN1CCN(CCC#N)CC1)C(=O)[O-]	ZINC000833640215	604927428	/nfs/dbraw/zinc/92/74/28/604927428.db2.gz	VOPSUEZMRQUQDM-TZMCWYRMSA-N	-1	0	310.398	0.133	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000833370905	605057173	/nfs/dbraw/zinc/05/71/73/605057173.db2.gz	OIIPVELVZAQVRS-VIFPVBQESA-N	-1	0	324.308	0.763	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000833369617	605093395	/nfs/dbraw/zinc/09/33/95/605093395.db2.gz	BGRDVYGRVHKHDE-MRVPVSSYSA-N	-1	0	312.347	0.686	20	30		DCEDRM
C=CCNC(=O)CN1CCN(c2ccc(C(=O)[O-])c(C)n2)CC1	ZINC000833377267	605228625	/nfs/dbraw/zinc/22/86/25/605228625.db2.gz	UDCFAOVSPYRAIQ-UHFFFAOYSA-N	-1	0	318.377	0.512	20	30		DCEDRM
CSCC[C@@H](NC(=O)[O-])C(=O)OC1CCN(CC#N)CC1	ZINC000829737934	605269185	/nfs/dbraw/zinc/26/91/85/605269185.db2.gz	UPSRSJNSABDZCR-LLVKDONJSA-N	-1	0	315.395	0.907	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000833378468	605301663	/nfs/dbraw/zinc/30/16/63/605301663.db2.gz	OKUVQGBEWMOXNB-GHMZBOCLSA-N	-1	0	303.380	0.594	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)CCOC2CN(C(=O)[O-])C2)C1	ZINC000833968291	605334652	/nfs/dbraw/zinc/33/46/52/605334652.db2.gz	ZHBOEUBTNXRSTF-LBPRGKRZSA-N	-1	0	324.381	0.107	20	30		DCEDRM
C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000824952067	605358769	/nfs/dbraw/zinc/35/87/69/605358769.db2.gz	IPGSCNAZTFLZTQ-QMMMGPOBSA-N	-1	0	322.296	0.750	20	30		DCEDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000824952066	605358885	/nfs/dbraw/zinc/35/88/85/605358885.db2.gz	IPGSCNAZTFLZTQ-MRVPVSSYSA-N	-1	0	322.296	0.750	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NCCCNC(=O)[O-])c(F)c1	ZINC000831136600	605359834	/nfs/dbraw/zinc/35/98/34/605359834.db2.gz	FYBGPKRHIHHAEY-UHFFFAOYSA-N	-1	0	308.269	0.410	20	30		DCEDRM
N#Cc1ccc(F)c(COC(=O)[C@H](CC(N)=O)NC(=O)[O-])c1	ZINC000833973832	605416797	/nfs/dbraw/zinc/41/67/97/605416797.db2.gz	NWPDLJLCWVZXRZ-JTQLQIEISA-N	-1	0	309.253	0.252	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000833365984	605417910	/nfs/dbraw/zinc/41/79/10/605417910.db2.gz	ALUPUUMEUUQGCR-UHFFFAOYSA-N	-1	0	301.295	0.452	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000833366398	605420631	/nfs/dbraw/zinc/42/06/31/605420631.db2.gz	VHWXUISVCUBDMQ-UHFFFAOYSA-N	-1	0	301.295	0.452	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)CC[C@H]2CCN(C(=O)[O-])C2)CCN1C1CC1	ZINC000833965628	605467125	/nfs/dbraw/zinc/46/71/25/605467125.db2.gz	CIGXNKXTUVFLRW-GXTWGEPZSA-N	-1	0	320.393	0.965	20	30		DCEDRM
C#CCN(C(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)C1CCCC1	ZINC000833787552	605499042	/nfs/dbraw/zinc/49/90/42/605499042.db2.gz	UDESUILWSNOGIF-AWEZNQCLSA-N	-1	0	323.393	0.799	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000833815159	605514479	/nfs/dbraw/zinc/51/44/79/605514479.db2.gz	FGZDHHISMZHXLC-NXEZZACHSA-N	-1	0	324.362	0.620	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833373864	605649981	/nfs/dbraw/zinc/64/99/81/605649981.db2.gz	GXIXASIKYULDJW-UTUOFQBUSA-N	-1	0	313.350	0.832	20	30		DCEDRM
Cc1onc(CC(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)c1C#N	ZINC000833936215	605697918	/nfs/dbraw/zinc/69/79/18/605697918.db2.gz	LZQGRYZXBCOSGQ-UFBFGSQYSA-N	-1	0	322.321	0.281	20	30		DCEDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000736418906	605715833	/nfs/dbraw/zinc/71/58/33/605715833.db2.gz	CPDYVDPMXWOSCK-STQMWFEESA-N	-1	0	308.382	0.867	20	30		DCEDRM
CCN(C1CN(C(=O)[O-])C1)S(=O)(=O)c1ccccc1C#N	ZINC000833856746	605846512	/nfs/dbraw/zinc/84/65/12/605846512.db2.gz	SSGNZQBSOGAKEH-UHFFFAOYSA-N	-1	0	309.347	0.931	20	30		DCEDRM
N#Cc1ccc(C(=O)NCCCN2CCN(C(=O)[O-])CC2)[nH]1	ZINC000833973802	605851312	/nfs/dbraw/zinc/85/13/12/605851312.db2.gz	QYQDLOYEWNAGNO-UHFFFAOYSA-N	-1	0	305.338	0.302	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NC[C@@H](NC(=O)[O-])C2CC2)cc1	ZINC000833975743	605892304	/nfs/dbraw/zinc/89/23/04/605892304.db2.gz	PUESJOBUWAMPEO-GFCCVEGCSA-N	-1	0	316.317	0.659	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)CCN2CC[C@H](NC(=O)[O-])C2)c1	ZINC000833977283	606007365	/nfs/dbraw/zinc/00/73/65/606007365.db2.gz	XEHWNBQGKQNCFW-LBPRGKRZSA-N	-1	0	323.374	0.674	20	30		DCEDRM
CN(C)c1cccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)c1	ZINC000825883463	609173999	/nfs/dbraw/zinc/17/39/99/609173999.db2.gz	HPGOMLNCMXBYDR-UHFFFAOYSA-N	-1	0	309.337	0.631	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)C[C@@H](C)COCC)C1	ZINC000906007276	663595354	/nfs/dbraw/zinc/59/53/54/663595354.db2.gz	ZMKIUMHMCGSVOO-NSHDSACASA-N	-1	0	305.396	0.952	20	30		DCEDRM
C=CCCOCCNC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000909118009	663781537	/nfs/dbraw/zinc/78/15/37/663781537.db2.gz	UIDZKXOPNXBDQM-NWDGAFQWSA-N	-1	0	300.355	0.901	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2cn(C)c(Cl)n2)n1	ZINC000120288448	657740009	/nfs/dbraw/zinc/74/00/09/657740009.db2.gz	WGIIWWICKBNMCX-UHFFFAOYSA-N	-1	0	300.731	0.479	20	30		DCEDRM
COCc1nc(C(=O)[N-]S(=O)(=O)N2CCCC2)cs1	ZINC000049155885	658074949	/nfs/dbraw/zinc/07/49/49/658074949.db2.gz	CHUCFWBYLUJXDE-UHFFFAOYSA-N	-1	0	305.381	0.935	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001023700663	658146944	/nfs/dbraw/zinc/14/69/44/658146944.db2.gz	XGWBXNJMKOFBDY-SNVBAGLBSA-N	-1	0	315.333	0.894	20	30		DCEDRM
Cc1ccc(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c([O-])c1	ZINC000255770120	658557916	/nfs/dbraw/zinc/55/79/16/658557916.db2.gz	KCBHHVSVSAEYJF-ALCCZGGFSA-N	-1	0	300.314	0.994	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000092479716	658632094	/nfs/dbraw/zinc/63/20/94/658632094.db2.gz	SCZMBKWORPAHDK-UHFFFAOYSA-N	-1	0	312.303	0.612	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)CCCC(C)(F)F)nn1	ZINC000893801566	661409250	/nfs/dbraw/zinc/40/92/50/661409250.db2.gz	MAWFQZZKMJAMQJ-UHFFFAOYSA-N	-1	0	322.337	0.959	20	30		DCEDRM
C#CC[C@@H](COC)[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000867569150	662048071	/nfs/dbraw/zinc/04/80/71/662048071.db2.gz	VOIFVBDRAMJVLO-VIFPVBQESA-N	-1	0	301.320	0.383	20	30		DCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cccnc1C#N	ZINC000263479247	662696010	/nfs/dbraw/zinc/69/60/10/662696010.db2.gz	FWMAEQIXGDFJJF-ZJUUUORDSA-N	-1	0	309.347	0.827	20	30		DCEDRM
N#CCN[C@@H]1CCCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001000686491	665909931	/nfs/dbraw/zinc/90/99/31/665909931.db2.gz	HSWROPXKMLBLFC-SECBINFHSA-N	-1	0	301.306	0.646	20	30		DCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000786503592	662902879	/nfs/dbraw/zinc/90/28/79/662902879.db2.gz	TVVICVMKPYERGA-UHFFFAOYSA-N	-1	0	320.321	0.893	20	30		DCEDRM
C[C@H]1C[C@@H](NCC#N)CN1C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000989672951	662970942	/nfs/dbraw/zinc/97/09/42/662970942.db2.gz	RJATYGOMCPOHIJ-DTWKUNHWSA-N	-1	0	301.306	0.645	20	30		DCEDRM
CCN(CC1CC1)S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899925958	663201140	/nfs/dbraw/zinc/20/11/40/663201140.db2.gz	IALJKSGNJHIKEO-LBPRGKRZSA-N	-1	0	314.407	0.763	20	30		DCEDRM
C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899926859	663201210	/nfs/dbraw/zinc/20/12/10/663201210.db2.gz	PAWDGYJADAGPKD-NEPJUHHUSA-N	-1	0	300.380	0.516	20	30		DCEDRM
CCn1cncc1S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899927321	663201510	/nfs/dbraw/zinc/20/15/10/663201510.db2.gz	UXTHTKHQESZRGX-LLVKDONJSA-N	-1	0	311.363	0.392	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)cc1	ZINC000990854544	663264238	/nfs/dbraw/zinc/26/42/38/663264238.db2.gz	NVVNJBLUOXXMDW-UHFFFAOYSA-N	-1	0	324.340	0.659	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1C=NNC(=S)NCC(F)(F)F	ZINC000901179129	663329076	/nfs/dbraw/zinc/32/90/76/663329076.db2.gz	BREDMXCFIRLJCF-UHFFFAOYSA-N	-1	0	309.273	0.479	20	30		DCEDRM
N#CCCn1ccc(=NC(=O)c2cc3c(cc2[O-])OCO3)[nH]1	ZINC000436540333	663500374	/nfs/dbraw/zinc/50/03/74/663500374.db2.gz	WNKWQIBRXBWPQF-UHFFFAOYSA-N	-1	0	300.274	0.905	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1	ZINC000905586740	663567340	/nfs/dbraw/zinc/56/73/40/663567340.db2.gz	XVSMEGUVBYASTD-TYNCELHUSA-N	-1	0	312.366	0.995	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1	ZINC000907126977	663669561	/nfs/dbraw/zinc/66/95/61/663669561.db2.gz	IZCQVRVVEUCZOX-UHFFFAOYSA-N	-1	0	315.734	0.407	20	30		DCEDRM
C#Cc1cncc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)c1	ZINC000907480356	663701266	/nfs/dbraw/zinc/70/12/66/663701266.db2.gz	SVPBPBPJHKBZRK-LLVKDONJSA-N	-1	0	300.347	0.506	20	30		DCEDRM
O=C(C#Cc1cccs1)N1CCC(O)(c2nnn[n-]2)CC1	ZINC000907941890	663724775	/nfs/dbraw/zinc/72/47/75/663724775.db2.gz	SHFHUMLPWZINID-UHFFFAOYSA-N	-1	0	303.347	0.123	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCCOC[C@H]1CCCO1)C(=O)[O-]	ZINC000908905911	663774810	/nfs/dbraw/zinc/77/48/10/663774810.db2.gz	NDVAMXKKZXKXFE-VXGBXAGGSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C#CCSCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909051970	663779789	/nfs/dbraw/zinc/77/97/89/663779789.db2.gz	JTGITXXTYYLPPS-MNOVXSKESA-N	-1	0	300.380	0.532	20	30		DCEDRM
C#CCSCCNC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000909053244	663779833	/nfs/dbraw/zinc/77/98/33/663779833.db2.gz	WAFVXRHDVMXAER-WDEREUQCSA-N	-1	0	300.380	0.674	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1nn(C)c2c1CCCC2)C(=O)[O-]	ZINC000909772658	663800840	/nfs/dbraw/zinc/80/08/40/663800840.db2.gz	UMMZKRBNYHYWAL-NSHDSACASA-N	-1	0	307.350	0.685	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccco1)C(=O)[O-]	ZINC000910052796	663837345	/nfs/dbraw/zinc/83/73/45/663837345.db2.gz	JAQIJENOQTWJMV-VXGBXAGGSA-N	-1	0	318.329	0.867	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N1CC(C)(C(=O)[O-])C1	ZINC000910054669	663837916	/nfs/dbraw/zinc/83/79/16/663837916.db2.gz	WAHQFCSHXICYKS-UHFFFAOYSA-N	-1	0	304.302	0.879	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC000910266803	663861987	/nfs/dbraw/zinc/86/19/87/663861987.db2.gz	OWJXOLUMMKJFCN-ZJUUUORDSA-N	-1	0	312.757	0.861	20	30		DCEDRM
C=C[C@](C)(O)C(=O)N1CCCN(c2ccc(C(=O)[O-])cn2)CC1	ZINC000911308335	664025108	/nfs/dbraw/zinc/02/51/08/664025108.db2.gz	MWWZAWALQCZIFZ-INIZCTEOSA-N	-1	0	319.361	0.756	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1	ZINC000913559036	664637824	/nfs/dbraw/zinc/63/78/24/664637824.db2.gz	CMWNGVJSRKCNCY-DGCLKSJQSA-N	-1	0	314.345	0.949	20	30		DCEDRM
CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cccc(C#N)c1	ZINC000730532233	664787533	/nfs/dbraw/zinc/78/75/33/664787533.db2.gz	KDMJCBDTLYQUGF-UHFFFAOYSA-N	-1	0	308.301	0.606	20	30		DCEDRM
C#CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CCCCC1	ZINC000730537862	664790874	/nfs/dbraw/zinc/79/08/74/664790874.db2.gz	LQSOIKOKYWFIER-UHFFFAOYSA-N	-1	0	313.361	0.866	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1	ZINC000732091111	664902192	/nfs/dbraw/zinc/90/21/92/664902192.db2.gz	RUTIGJCALDVUCK-GFCCVEGCSA-N	-1	0	316.321	0.394	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)Cc1cc(C)no1)C(=O)[O-]	ZINC000863420127	667141540	/nfs/dbraw/zinc/14/15/40/667141540.db2.gz	KBJDLBAOZOTRFO-VIFPVBQESA-N	-1	0	308.743	0.998	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(OC)c1	ZINC000916889253	665099022	/nfs/dbraw/zinc/09/90/22/665099022.db2.gz	MXSGFUFMGVRDTH-LLVKDONJSA-N	-1	0	306.318	0.789	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)nc1	ZINC000916890309	665099058	/nfs/dbraw/zinc/09/90/58/665099058.db2.gz	ISLYRWBOONMNSI-GFCCVEGCSA-N	-1	0	305.334	0.954	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(Cn2cccn2)o1	ZINC000916890454	665099117	/nfs/dbraw/zinc/09/91/17/665099117.db2.gz	HUZFIEWEMQBKKL-LBPRGKRZSA-N	-1	0	316.317	0.609	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2)c1	ZINC000916892927	665099331	/nfs/dbraw/zinc/09/93/31/665099331.db2.gz	SWTKPFAKBKWBLW-AWEZNQCLSA-N	-1	0	312.329	0.957	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)C#N)c1[O-]	ZINC001002043402	666125756	/nfs/dbraw/zinc/12/57/56/666125756.db2.gz	NNZDMJQYFPOXLO-IANFPDNMSA-N	-1	0	317.349	0.445	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000185734113	666556220	/nfs/dbraw/zinc/55/62/20/666556220.db2.gz	PRVLVZKYACIEQG-UHFFFAOYSA-N	-1	0	322.321	0.980	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)c1[O-]	ZINC000946689969	666596785	/nfs/dbraw/zinc/59/67/85/666596785.db2.gz	CFHITSPYZCOZTI-UHFFFAOYSA-N	-1	0	316.361	0.558	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000861325938	666918108	/nfs/dbraw/zinc/91/81/08/666918108.db2.gz	AGCQVVIVHYBVSZ-UHFFFAOYSA-N	-1	0	314.323	0.327	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1csnc1Cl	ZINC000861400345	666925633	/nfs/dbraw/zinc/92/56/33/666925633.db2.gz	PGYVQVOIRDVLOF-LURJTMIESA-N	-1	0	308.768	0.640	20	30		DCEDRM
C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cnnn1C	ZINC000863408473	667139923	/nfs/dbraw/zinc/13/99/23/667139923.db2.gz	ZDDXDEDGSXKETL-VIFPVBQESA-N	-1	0	307.335	0.907	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)[O-]	ZINC000863419751	667141774	/nfs/dbraw/zinc/14/17/74/667141774.db2.gz	GAVHZSIGPXRWBO-QMMMGPOBSA-N	-1	0	307.759	0.603	20	30		DCEDRM
N#Cc1cc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nc(C2CC2)n1	ZINC000864088565	667213614	/nfs/dbraw/zinc/21/36/14/667213614.db2.gz	FDRKZEHLJCCCNR-MEBBXXQBSA-N	-1	0	300.318	0.763	20	30		DCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cc(C(F)(F)F)ncn1	ZINC000868562178	667581366	/nfs/dbraw/zinc/58/13/66/667581366.db2.gz	DAOFYPVDIWNDHV-ZCFIWIBFSA-N	-1	0	304.228	0.605	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2CCC(O)(C(=O)[O-])CC2)cc1	ZINC000738072816	667653418	/nfs/dbraw/zinc/65/34/18/667653418.db2.gz	JFELEQLOIRKBGT-UHFFFAOYSA-N	-1	0	306.318	0.719	20	30		DCEDRM
CC(C)CC(=O)NCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123222069	667747365	/nfs/dbraw/zinc/74/73/65/667747365.db2.gz	FUDQATOAUGQYAG-LLVKDONJSA-N	-1	0	304.350	0.864	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CN2Cc3ccccc3C2=O)CC1	ZINC000870833160	667764880	/nfs/dbraw/zinc/76/48/80/667764880.db2.gz	XTOGGUYWXUSLBD-UHFFFAOYSA-N	-1	0	320.370	0.807	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2C(=O)C(C)C)CC1	ZINC000870833332	667765001	/nfs/dbraw/zinc/76/50/01/667765001.db2.gz	RJXNHSHJEMOWAV-LLVKDONJSA-N	-1	0	314.407	0.798	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C2CCCC2)CC1	ZINC000870831748	667765033	/nfs/dbraw/zinc/76/50/33/667765033.db2.gz	DGHJXUPFFPVDPR-SNVBAGLBSA-N	-1	0	314.407	0.846	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C/COC2CCOCC2)CC1	ZINC000870840569	667765849	/nfs/dbraw/zinc/76/58/49/667765849.db2.gz	XDFXCWDJVMDBDR-ONEGZZNKSA-N	-1	0	315.391	0.903	20	30		DCEDRM
COC[C@H]1COCCN1C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000886876368	667812847	/nfs/dbraw/zinc/81/28/47/667812847.db2.gz	DDECNGABTHHFRA-JTQLQIEISA-N	-1	0	323.374	0.868	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)nc2)cn1	ZINC000749220214	667948526	/nfs/dbraw/zinc/94/85/26/667948526.db2.gz	UUMBYTMQIZRHLR-UHFFFAOYSA-N	-1	0	305.319	0.288	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cnn(CC)c1	ZINC000749226673	667948584	/nfs/dbraw/zinc/94/85/84/667948584.db2.gz	MHVHUDZLKREUDY-SNVBAGLBSA-N	-1	0	301.368	0.689	20	30		DCEDRM
C#Cc1cc(F)c(NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(F)c1	ZINC000873086589	667970561	/nfs/dbraw/zinc/97/05/61/667970561.db2.gz	GCWZLOKRSDWZKI-KYZUINATSA-N	-1	0	322.267	0.864	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1c(CC)nn(C)c1CC	ZINC000754623844	668048637	/nfs/dbraw/zinc/04/86/37/668048637.db2.gz	JIOPXQUSNVWDCB-UHFFFAOYSA-N	-1	0	315.395	0.552	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2nnn(C)c2c1	ZINC000755741531	668065117	/nfs/dbraw/zinc/06/51/17/668065117.db2.gz	XJXGIPRRUWWPBU-JTQLQIEISA-N	-1	0	308.301	0.907	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1cnn(C)c1)OCC	ZINC000756519586	668091382	/nfs/dbraw/zinc/09/13/82/668091382.db2.gz	QBWJESYMUGUUGF-LLVKDONJSA-N	-1	0	301.368	0.596	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)co1	ZINC000760196879	668262117	/nfs/dbraw/zinc/26/21/17/668262117.db2.gz	DZUQVKSGARNIOR-JTQLQIEISA-N	-1	0	308.290	0.541	20	30		DCEDRM
C#CCN1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1	ZINC000760333819	668268475	/nfs/dbraw/zinc/26/84/75/668268475.db2.gz	WBMHLLFAEWQOJC-UHFFFAOYSA-N	-1	0	305.300	0.221	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1)OCC	ZINC000762129921	668348161	/nfs/dbraw/zinc/34/81/61/668348161.db2.gz	GHMWKYCUBKNBCW-RYUDHWBXSA-N	-1	0	305.396	0.840	20	30		DCEDRM
N#Cc1csc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)c1	ZINC000762132232	668348504	/nfs/dbraw/zinc/34/85/04/668348504.db2.gz	ZILWQUXHTBXQKT-QMMMGPOBSA-N	-1	0	300.361	0.716	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12	ZINC000763034198	668392937	/nfs/dbraw/zinc/39/29/37/668392937.db2.gz	QXHIIZUBIYULMO-LDYMZIIASA-N	-1	0	304.393	0.072	20	30		DCEDRM
N#Cc1nc(NC(=O)CCC(=O)NC2CCCC2)[n-]c1C#N	ZINC000763701356	668418135	/nfs/dbraw/zinc/41/81/35/668418135.db2.gz	LXBNKDAGACFAGN-UHFFFAOYSA-N	-1	0	300.322	0.931	20	30		DCEDRM
CCc1cnc(/C=C\C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)s1	ZINC000876497738	668456797	/nfs/dbraw/zinc/45/67/97/668456797.db2.gz	BHZBYHGHUFVWDG-WAYWQWQTSA-N	-1	0	321.358	0.705	20	30		DCEDRM
CCc1ccc(C([O-])=C(C#N)C(=O)NC)cc1S(C)(=O)=O	ZINC000765914684	668513558	/nfs/dbraw/zinc/51/35/58/668513558.db2.gz	GMRUHXWUFKZQRF-NSHDSACASA-N	-1	0	308.359	0.721	20	30		DCEDRM
O=C([O-])Cn1cc(C=NNC(=S)Nc2ccccn2)nn1	ZINC000768483835	668611764	/nfs/dbraw/zinc/61/17/64/668611764.db2.gz	MEMPZAHTHVFEHD-UHFFFAOYSA-N	-1	0	305.323	0.078	20	30		DCEDRM
COc1ccc(N=NCc2cn(CC(=O)[O-])nn2)c([N+](=O)[O-])c1	ZINC000768483315	668612096	/nfs/dbraw/zinc/61/20/96/668612096.db2.gz	KKRSHWAJGDZEGI-UHFFFAOYSA-N	-1	0	320.265	0.726	20	30		DCEDRM
C=CCCC[C@H](NC(=O)N[C@H](C)[C@H]1CN(C)CCO1)C(=O)[O-]	ZINC000929050894	668647679	/nfs/dbraw/zinc/64/76/79/668647679.db2.gz	TWTNMQDOCGYDKD-FRRDWIJNSA-N	-1	0	313.398	0.814	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-n2cnnn2)cc1	ZINC000770861966	668720217	/nfs/dbraw/zinc/72/02/17/668720217.db2.gz	JWCLCCHHUIAIKF-LBPRGKRZSA-N	-1	0	321.300	0.601	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CC2CCOCC2)CCC1	ZINC000771073599	668730259	/nfs/dbraw/zinc/73/02/59/668730259.db2.gz	KWZRBJLPXFCASJ-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)c2n[nH]nc2C)n1	ZINC000805545151	668862932	/nfs/dbraw/zinc/86/29/32/668862932.db2.gz	GKCQHNIMVIFQQV-MRVPVSSYSA-N	-1	0	305.319	0.911	20	30		DCEDRM
CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776115861	668871025	/nfs/dbraw/zinc/87/10/25/668871025.db2.gz	VIQRODOFLAZRKL-UHFFFAOYSA-N	-1	0	303.384	0.289	20	30		DCEDRM
C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776139596	668871636	/nfs/dbraw/zinc/87/16/36/668871636.db2.gz	YJEBGLPOPVXHHQ-VIFPVBQESA-N	-1	0	317.411	0.533	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC	ZINC000778847490	668904856	/nfs/dbraw/zinc/90/48/56/668904856.db2.gz	NHRQKJLKYFFNDE-UHFFFAOYSA-N	-1	0	313.379	0.736	20	30		DCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)nnn1C	ZINC000779314465	668909514	/nfs/dbraw/zinc/90/95/14/668909514.db2.gz	ZNPNIJDNSZPEIX-UHFFFAOYSA-N	-1	0	311.367	0.267	20	30		DCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cccc2c1COC2=O	ZINC000783597650	669161960	/nfs/dbraw/zinc/16/19/60/669161960.db2.gz	OTUYKYAMYVZWHW-UHFFFAOYSA-N	-1	0	318.314	0.763	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC(=O)N(C)C[C@H]2C)cc1C#N	ZINC000783754987	669171219	/nfs/dbraw/zinc/17/12/19/669171219.db2.gz	MGCDSNRBVWPQJM-MRVPVSSYSA-N	-1	0	320.374	0.683	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@@H]1[C@H]3CCCO[C@H]31)cc2=O	ZINC000784602316	669214463	/nfs/dbraw/zinc/21/44/63/669214463.db2.gz	NVRFVCIZDPIXQO-RAIGVLPGSA-N	-1	0	314.301	0.775	20	30		DCEDRM
N#Cc1csc(Cn2cc(C[N-]C(=O)C(F)(F)F)nn2)n1	ZINC000881363245	669329099	/nfs/dbraw/zinc/32/90/99/669329099.db2.gz	LKQGAHPKFOAUCV-UHFFFAOYSA-N	-1	0	316.268	0.833	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccnc2c1ncn2C	ZINC000805851634	669395775	/nfs/dbraw/zinc/39/57/75/669395775.db2.gz	MNFBVGGOOKNUHU-NSHDSACASA-N	-1	0	315.333	0.443	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CCCCC(N)=O)c1	ZINC000788182635	669421311	/nfs/dbraw/zinc/42/13/11/669421311.db2.gz	BNXMZINNHMLDHJ-UHFFFAOYSA-N	-1	0	323.374	0.550	20	30		DCEDRM
C#CC[C@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1	ZINC000882339984	669504127	/nfs/dbraw/zinc/50/41/27/669504127.db2.gz	MNUZAOQJDHZKMS-WYRIXSBYSA-N	-1	0	316.404	0.362	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(CN2CCOCC2)c1	ZINC000805902938	669506215	/nfs/dbraw/zinc/50/62/15/669506215.db2.gz	YMAZFBHUCAMXSZ-UHFFFAOYSA-N	-1	0	324.402	0.764	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C2CC2)C1	ZINC000791111771	669594103	/nfs/dbraw/zinc/59/41/03/669594103.db2.gz	YSRCSDOTDAUERH-LBPRGKRZSA-N	-1	0	312.391	0.104	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(F)c(NC(C)=O)c1	ZINC000791110620	669594312	/nfs/dbraw/zinc/59/43/12/669594312.db2.gz	GFFZICNNNNEEKW-UHFFFAOYSA-N	-1	0	312.322	0.867	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]1CCCCO1	ZINC000791109593	669594568	/nfs/dbraw/zinc/59/45/68/669594568.db2.gz	SIPRKFSKKTUFPL-NWDGAFQWSA-N	-1	0	303.380	0.430	20	30		DCEDRM
COc1cncc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)n1	ZINC000791769316	669628677	/nfs/dbraw/zinc/62/86/77/669628677.db2.gz	KXLYVXHCWNVIRQ-LLVKDONJSA-N	-1	0	320.349	0.739	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cncc(OC)n1	ZINC000791769351	669628697	/nfs/dbraw/zinc/62/86/97/669628697.db2.gz	MPMNRFXAYJIESA-SNVBAGLBSA-N	-1	0	306.322	0.350	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CC(c3cccnc3)=NO2)[n-]c1C#N	ZINC000792231850	669655932	/nfs/dbraw/zinc/65/59/32/669655932.db2.gz	PTNLJLXBBAKWRK-GFCCVEGCSA-N	-1	0	307.273	0.680	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nc[nH]n2)cc1	ZINC000793126659	669703067	/nfs/dbraw/zinc/70/30/67/669703067.db2.gz	VCNPFVCZUPRPJB-LBPRGKRZSA-N	-1	0	313.317	0.557	20	30		DCEDRM
CC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCO1	ZINC000793202164	669707283	/nfs/dbraw/zinc/70/72/83/669707283.db2.gz	WHSDESPIWAMXFZ-QWRGUYRKSA-N	-1	0	300.380	0.941	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)c1ccc2c(c1)OCO2	ZINC000797185585	669958671	/nfs/dbraw/zinc/95/86/71/669958671.db2.gz	HRDPTAHJDUHVDH-SNVBAGLBSA-N	-1	0	309.343	0.988	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-n2cccn2)cc1	ZINC000798202950	669992094	/nfs/dbraw/zinc/99/20/94/669992094.db2.gz	OMZDIFDIPPMSQC-UHFFFAOYSA-N	-1	0	303.343	0.955	20	30		DCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1	ZINC000079733061	670221336	/nfs/dbraw/zinc/22/13/36/670221336.db2.gz	PUAGSNFTZWSTDH-UHFFFAOYSA-N	-1	0	324.362	0.429	20	30		DCEDRM
C#Cc1ccccc1CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000810269439	670478472	/nfs/dbraw/zinc/47/84/72/670478472.db2.gz	XYSCIHVVPSNFAF-UHFFFAOYSA-N	-1	0	304.331	0.371	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1nc(-c2ccoc2)no1	ZINC000810772730	670496558	/nfs/dbraw/zinc/49/65/58/670496558.db2.gz	CGDAFCKXFOALHX-UHFFFAOYSA-N	-1	0	323.330	0.732	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CN1CCc2ccccc2C1=O	ZINC000810773957	670496899	/nfs/dbraw/zinc/49/68/99/670496899.db2.gz	QHFILEXOKZUFSM-UHFFFAOYSA-N	-1	0	320.370	0.154	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccnc1OCCOC	ZINC000810773739	670496923	/nfs/dbraw/zinc/49/69/23/670496923.db2.gz	MSMISMYXACDHQB-UHFFFAOYSA-N	-1	0	312.347	0.190	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000810775121	670496967	/nfs/dbraw/zinc/49/69/67/670496967.db2.gz	XVAKMNZIZBGVOD-LBPRGKRZSA-N	-1	0	320.370	0.509	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1	ZINC000810778095	670497211	/nfs/dbraw/zinc/49/72/11/670497211.db2.gz	PAPCLRQKRUTTGD-UHFFFAOYSA-N	-1	0	320.168	0.115	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1c(OC)cccc1OC	ZINC000810782014	670497758	/nfs/dbraw/zinc/49/77/58/670497758.db2.gz	FXKDTHQTARJSNK-UHFFFAOYSA-N	-1	0	311.359	0.716	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCc1nc(CCC)no1	ZINC000810785507	670498000	/nfs/dbraw/zinc/49/80/00/670498000.db2.gz	KBFTWHDWQNZIBK-UHFFFAOYSA-N	-1	0	313.379	0.814	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cn1nc(C(F)(F)F)cc1C	ZINC000810784298	670498058	/nfs/dbraw/zinc/49/80/58/670498058.db2.gz	ZPKJPYRPWPJIFV-UHFFFAOYSA-N	-1	0	323.296	0.680	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(OCC(F)F)n1	ZINC000810784894	670498097	/nfs/dbraw/zinc/49/80/97/670498097.db2.gz	RSUQRGPMMSIOBU-UHFFFAOYSA-N	-1	0	318.301	0.808	20	30		DCEDRM
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[N-]OC1CCC1	ZINC000812792140	670596876	/nfs/dbraw/zinc/59/68/76/670596876.db2.gz	MRIQQLRVTCKZOF-JTQLQIEISA-N	-1	0	323.374	0.825	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1CC(F)(F)F	ZINC000813079235	670609917	/nfs/dbraw/zinc/60/99/17/670609917.db2.gz	GDMQDWFLBGYZKF-MRVPVSSYSA-N	-1	0	300.302	0.645	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)c1ncn(C(C)(C)C)n1	ZINC000813076872	670610090	/nfs/dbraw/zinc/61/00/90/670610090.db2.gz	QECXRLRVEDWIRZ-VIFPVBQESA-N	-1	0	300.322	0.972	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(F)F)c1	ZINC000813980679	670667428	/nfs/dbraw/zinc/66/74/28/670667428.db2.gz	KBBJLGCLAKOMKF-IUCAKERBSA-N	-1	0	301.274	0.659	20	30		DCEDRM
CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)O1	ZINC000813980653	670667435	/nfs/dbraw/zinc/66/74/35/670667435.db2.gz	FLRFDOZHWHMTRV-ZYHUDNBSSA-N	-1	0	309.347	0.716	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCOC2)c1	ZINC000813979833	670667608	/nfs/dbraw/zinc/66/76/08/670667608.db2.gz	FWYJDRNGBDAEHY-JTQLQIEISA-N	-1	0	309.347	0.575	20	30		DCEDRM
CC1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCOCC1	ZINC000813982278	670667673	/nfs/dbraw/zinc/66/76/73/670667673.db2.gz	GRYHSSYWXXLSRZ-UHFFFAOYSA-N	-1	0	309.347	0.575	20	30		DCEDRM
CCOC1CC(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000813985911	670668784	/nfs/dbraw/zinc/66/87/84/670668784.db2.gz	VGGDCZCFXYWBQG-UHFFFAOYSA-N	-1	0	309.347	0.573	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]OC(C)(C)C(=O)OCC	ZINC000855135489	670680456	/nfs/dbraw/zinc/68/04/56/670680456.db2.gz	NGEZWPIUGYRHNH-NSHDSACASA-N	-1	0	300.355	0.847	20	30		DCEDRM
Cc1cccc(C)c1NC(=S)NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000814213903	670680547	/nfs/dbraw/zinc/68/05/47/670680547.db2.gz	LNJPZLKVZXSPID-UHFFFAOYSA-N	-1	0	319.346	0.312	20	30		DCEDRM
O=C1NC(=O)C(=N[N-]c2ncc(Cl)cc2Cl)C(=O)N1	ZINC000814215112	670680560	/nfs/dbraw/zinc/68/05/60/670680560.db2.gz	MBZBPIYAOHQBTJ-UHFFFAOYSA-N	-1	0	302.077	0.522	20	30		DCEDRM
C=C[C@H](O)C(=O)OCC(=O)c1ccc(OC)c2c([O-])coc21	ZINC000814547799	670695357	/nfs/dbraw/zinc/69/53/57/670695357.db2.gz	HPCGURIJGKVOFB-VIFPVBQESA-N	-1	0	306.270	0.543	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1	ZINC000848589946	670699146	/nfs/dbraw/zinc/69/91/46/670699146.db2.gz	IKLZNINYKKOQIQ-CYBMUJFWSA-N	-1	0	323.393	0.514	20	30		DCEDRM
COc1ccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1C#N	ZINC000848609135	670704779	/nfs/dbraw/zinc/70/47/79/670704779.db2.gz	DPGZLSARSFQTNQ-SECBINFHSA-N	-1	0	319.317	0.020	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C1CC[C@@H](CC(=O)[O-])[C@@H]1C	ZINC000814845556	670705925	/nfs/dbraw/zinc/70/59/25/670705925.db2.gz	ZPXDCEPVLGPLNQ-YUMQZZPRSA-N	-1	0	300.384	0.073	20	30		DCEDRM
COc1cc(C(C)=NNCC(=O)[O-])ccc1S(C)(=O)=O	ZINC000814958247	670708543	/nfs/dbraw/zinc/70/85/43/670708543.db2.gz	HCUDEGVPTJISLJ-UHFFFAOYSA-N	-1	0	300.336	0.497	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000848681192	670712846	/nfs/dbraw/zinc/71/28/46/670712846.db2.gz	WAQYCPCJOWMCAJ-VIFPVBQESA-N	-1	0	304.274	0.788	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(N(C)C(C)=O)cc1	ZINC000849219269	670766030	/nfs/dbraw/zinc/76/60/30/670766030.db2.gz	OLOCXZRELMWTKR-UHFFFAOYSA-N	-1	0	324.358	0.378	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(F)ccc1OC	ZINC000849219599	670766458	/nfs/dbraw/zinc/76/64/58/670766458.db2.gz	QQEKLMFTESSUDU-UHFFFAOYSA-N	-1	0	301.295	0.543	20	30		DCEDRM
CCn1nncc1C([O-])=C(C#N)C(=O)NCCCOC(C)C	ZINC000815904649	670771205	/nfs/dbraw/zinc/77/12/05/670771205.db2.gz	MFGVSUNQGJJLII-LLVKDONJSA-N	-1	0	307.354	0.552	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@@H](CC)Nc1nnnn1-c1ccccc1	ZINC000856031167	670776748	/nfs/dbraw/zinc/77/67/48/670776748.db2.gz	GCSMFKUSUNFATD-CYBMUJFWSA-N	-1	0	316.365	0.899	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000856032533	670777727	/nfs/dbraw/zinc/77/77/27/670777727.db2.gz	MCVPUQVTVTXDSE-LLVKDONJSA-N	-1	0	323.374	0.849	20	30		DCEDRM
COC[C@H](OC)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000850734686	670937376	/nfs/dbraw/zinc/93/73/76/670937376.db2.gz	AXUNTNAJJADTFF-LBPRGKRZSA-N	-1	0	312.347	0.166	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(c2cccc(S(N)(=O)=O)c2C#N)C1	ZINC000817864753	670949416	/nfs/dbraw/zinc/94/94/16/670949416.db2.gz	DDPMJKAULKGPQC-VHSXEESVSA-N	-1	0	323.374	0.753	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)[O-])[C@@H]1CCCO1	ZINC000817880587	670949993	/nfs/dbraw/zinc/94/99/93/670949993.db2.gz	AEBQIJSTLVCLNM-AAEUAGOBSA-N	-1	0	316.313	0.620	20	30		DCEDRM
CC(=O)N[C@@H](CCC(C)C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000850926809	670955317	/nfs/dbraw/zinc/95/53/17/670955317.db2.gz	TVJLGLWBWBFORC-LBPRGKRZSA-N	-1	0	317.411	0.677	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1	ZINC000850934291	670955748	/nfs/dbraw/zinc/95/57/48/670955748.db2.gz	FGVVKRYPJFPGNU-JTQLQIEISA-N	-1	0	323.374	0.743	20	30		DCEDRM
CC(C)(C)O[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000850941064	670956444	/nfs/dbraw/zinc/95/64/44/670956444.db2.gz	YSXPSEQPQGVCFJ-NXEZZACHSA-N	-1	0	300.380	0.940	20	30		DCEDRM
COC(=O)/C=C/c1ccc(C(=O)[N-]S(=O)(=O)CCC#N)o1	ZINC000851016045	670961298	/nfs/dbraw/zinc/96/12/98/670961298.db2.gz	MCXTUNPQDQCXIB-GQCTYLIASA-N	-1	0	312.303	0.439	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)NCCC3CCC3)C2)c(=O)[n-]c1=O	ZINC000858291765	670989314	/nfs/dbraw/zinc/98/93/14/670989314.db2.gz	KBJUNVSAKASLLA-UHFFFAOYSA-N	-1	0	317.349	0.577	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nc1	ZINC000851651793	671004052	/nfs/dbraw/zinc/00/40/52/671004052.db2.gz	OIMQQOUCIMDJHC-IAQYHMDHSA-N	-1	0	316.317	0.196	20	30		DCEDRM
N#Cc1ccc(CCNC(=O)C(=O)NCCCCC(=O)[O-])cc1	ZINC000851683821	671012360	/nfs/dbraw/zinc/01/23/60/671012360.db2.gz	PLLMCRJFTOHKHB-UHFFFAOYSA-N	-1	0	317.345	0.588	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cc2c(cn1)OCCO2	ZINC000819943792	671148870	/nfs/dbraw/zinc/14/88/70/671148870.db2.gz	MWPPHBDMSKXHKD-SNVBAGLBSA-N	-1	0	301.302	0.798	20	30		DCEDRM
Cc1nc(C2CC2)[nH]c(=S)c1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820149671	671171824	/nfs/dbraw/zinc/17/18/24/671171824.db2.gz	QIUZMFHANYYEDC-QMMMGPOBSA-N	-1	0	308.363	0.671	20	30		DCEDRM
O=C(Cc1ccc(NC(=O)C2CC2)cc1)N[C@H]1CCN(O)C1=O	ZINC000820148848	671171903	/nfs/dbraw/zinc/17/19/03/671171903.db2.gz	JVJKUQBRMOSLJS-ZDUSSCGKSA-N	-1	0	317.345	0.684	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)CCOCC1	ZINC000820406672	671199000	/nfs/dbraw/zinc/19/90/00/671199000.db2.gz	UXWHIGDFRIRBQU-GFCCVEGCSA-N	-1	0	317.407	0.842	20	30		DCEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000852950743	671199107	/nfs/dbraw/zinc/19/91/07/671199107.db2.gz	MRHJDNCBRLAWRK-NKSUMMKUSA-N	-1	0	321.333	0.130	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn2cc(C)ccc2n1	ZINC000860467680	671211382	/nfs/dbraw/zinc/21/13/82/671211382.db2.gz	FLJYWBLGRMYRNL-NSHDSACASA-N	-1	0	300.318	0.728	20	30		DCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cn2c(n1)COCC2	ZINC000860477627	671212683	/nfs/dbraw/zinc/21/26/83/671212683.db2.gz	KKQWGBPEVPFCSC-NSHDSACASA-N	-1	0	302.334	0.795	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cc3c(cn2)OCCO3)CC1	ZINC000820595652	671213331	/nfs/dbraw/zinc/21/33/31/671213331.db2.gz	XGEAFJMELKXKOU-UHFFFAOYSA-N	-1	0	323.330	0.216	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000853205739	671218948	/nfs/dbraw/zinc/21/89/48/671218948.db2.gz	JLBUKXCZGXTQOK-AAEUAGOBSA-N	-1	0	323.411	0.323	20	30		DCEDRM
Cn1cc(Cl)c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n1	ZINC000860649128	671227261	/nfs/dbraw/zinc/22/72/61/671227261.db2.gz	FGZGDJGLGFNIJP-UHFFFAOYSA-N	-1	0	302.743	0.437	20	30		DCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)CCC#N)COc2ccccc2O1	ZINC000860751261	671235268	/nfs/dbraw/zinc/23/52/68/671235268.db2.gz	AGZMUUHKOISONT-ZDUSSCGKSA-N	-1	0	310.331	0.576	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCCC23CCC3)c(=O)[n-]c1=O	ZINC000822473476	671325747	/nfs/dbraw/zinc/32/57/47/671325747.db2.gz	YCYXCQZGONVISY-UHFFFAOYSA-N	-1	0	302.334	0.756	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@]1(c2ccccc2)C[C@H]1C(=O)NOCC#C	ZINC000824484121	671431633	/nfs/dbraw/zinc/43/16/33/671431633.db2.gz	UBPPJXKIOGLUCI-WMLDXEAASA-N	-1	0	312.325	0.306	20	30		DCEDRM
C[C@@H]1C[C@H](C)CN(C(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)C1	ZINC000824874034	671442512	/nfs/dbraw/zinc/44/25/12/671442512.db2.gz	AZEYBGQZRUTCPA-AOOOYVTPSA-N	-1	0	314.353	0.439	20	30		DCEDRM
C#CCCN1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC000825077804	671449025	/nfs/dbraw/zinc/44/90/25/671449025.db2.gz	INGMXMUDGZMZDB-UHFFFAOYSA-N	-1	0	300.318	0.710	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)Nc1ccccc1F	ZINC000826382982	671486834	/nfs/dbraw/zinc/48/68/34/671486834.db2.gz	DSWJKCBTWVOTIU-UHFFFAOYSA-N	-1	0	312.268	0.713	20	30		DCEDRM
N#CC1(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CCCCC1	ZINC000826834007	671502343	/nfs/dbraw/zinc/50/23/43/671502343.db2.gz	KSUOFZVDUMVAFF-LLVKDONJSA-N	-1	0	304.354	0.964	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@H]3CSC[C@H]3C2)c(=O)[n-]c1=O	ZINC000827093574	671514002	/nfs/dbraw/zinc/51/40/02/671514002.db2.gz	INRGORSPKBYGRS-GXSJLCMTSA-N	-1	0	320.374	0.032	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1	ZINC000835115721	671788057	/nfs/dbraw/zinc/78/80/57/671788057.db2.gz	QWJZFXLECQLTLV-SECBINFHSA-N	-1	0	316.766	0.719	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnc(OC(F)F)c1	ZINC000835371489	671794834	/nfs/dbraw/zinc/79/48/34/671794834.db2.gz	JQIAUOPDHQUWQZ-UHFFFAOYSA-N	-1	0	304.274	0.766	20	30		DCEDRM
C[C@H](Oc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835411152	671795789	/nfs/dbraw/zinc/79/57/89/671795789.db2.gz	DPNXJLNRKAPJEM-VIFPVBQESA-N	-1	0	300.311	0.953	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC	ZINC000835451873	671796700	/nfs/dbraw/zinc/79/67/00/671796700.db2.gz	PIOFWZUWWCBWQF-ZJUUUORDSA-N	-1	0	319.379	0.223	20	30		DCEDRM
C#C[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)[C@@H]1CCCO1	ZINC000867124271	671797231	/nfs/dbraw/zinc/79/72/31/671797231.db2.gz	KETGNEPIROMELA-MNOVXSKESA-N	-1	0	306.409	0.263	20	30		DCEDRM
COc1ccnc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c1	ZINC000842763958	672035436	/nfs/dbraw/zinc/03/54/36/672035436.db2.gz	PJIDXBZLJRZZBR-UHFFFAOYSA-N	-1	0	309.347	0.844	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)C2(C(=O)[O-])CCC2)c1	ZINC000844151700	672153368	/nfs/dbraw/zinc/15/33/68/672153368.db2.gz	FCIPDPIILLTHRW-UHFFFAOYSA-N	-1	0	300.314	0.978	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)o1	ZINC000844816866	672204615	/nfs/dbraw/zinc/20/46/15/672204615.db2.gz	QDNKRLMZAISCMM-UHFFFAOYSA-N	-1	0	308.315	0.640	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)NCC(=O)[N-]OCC)n1	ZINC000845539658	672257883	/nfs/dbraw/zinc/25/78/83/672257883.db2.gz	XPFRONWGIFKMJQ-UHFFFAOYSA-N	-1	0	307.354	0.116	20	30		DCEDRM
CN(C)c1noc(C[N-]S(=O)(=O)c2ccsc2C#N)n1	ZINC000845910749	672282137	/nfs/dbraw/zinc/28/21/37/672282137.db2.gz	IERBFEBZWZNNGA-UHFFFAOYSA-N	-1	0	313.364	0.547	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000846546732	672326651	/nfs/dbraw/zinc/32/66/51/672326651.db2.gz	FHVHZINILQNGRB-MNOVXSKESA-N	-1	0	323.374	0.847	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)N1CCN(c2ccccc2)CC1	ZINC000846552639	672326848	/nfs/dbraw/zinc/32/68/48/672326848.db2.gz	MESGXYZWZRZXJG-ZDUSSCGKSA-N	-1	0	303.362	0.958	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21	ZINC000846544845	672326876	/nfs/dbraw/zinc/32/68/76/672326876.db2.gz	ZDOLVOKGHDMIPJ-JTQLQIEISA-N	-1	0	323.374	0.690	20	30		DCEDRM
CCC(CC)(C(=O)[O-])C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000846708455	672339627	/nfs/dbraw/zinc/33/96/27/672339627.db2.gz	ARXLCOQUICCYQJ-QXMHVHEDSA-N	-1	0	323.349	0.520	20	30		DCEDRM
CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820029406	685353222	/nfs/dbraw/zinc/35/32/22/685353222.db2.gz	AKEHZZNVLPPSTJ-AMIZOPFISA-N	-1	0	313.310	0.157	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)c1[O-]	ZINC001011738313	691616077	/nfs/dbraw/zinc/61/60/77/691616077.db2.gz	FRGOYBCJSSWQIZ-ZYHUDNBSSA-N	-1	0	316.361	0.556	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@H]2CCN(CC#N)C2)cc1=O	ZINC001015138557	692205972	/nfs/dbraw/zinc/20/59/72/692205972.db2.gz	YRJYFOCPZZSVAW-LBPRGKRZSA-N	-1	0	305.382	0.089	20	30		DCEDRM
C=CCCN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21	ZINC001074219063	694842502	/nfs/dbraw/zinc/84/25/02/694842502.db2.gz	JZGXSYHSXBZAOZ-CHWSQXEVSA-N	-1	0	320.393	0.915	20	30		DCEDRM
CC(C)C#CC(=O)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(C)C	ZINC001571612119	1162861928	/nfs/dbraw/zinc/86/19/28/1162861928.db2.gz	YUFAHQZMYVTQPR-UHFFFAOYSA-N	-1	0	307.398	0.839	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001744910999	1157694219	/nfs/dbraw/zinc/69/42/19/1157694219.db2.gz	LSWRHXDOSDUUEH-RFAUZJTJSA-N	-1	0	324.381	0.375	20	30		DCEDRM
C=CCCC(=O)N1CCC[C@@H](N(CCO)Cc2n[nH]c(=O)[n-]2)C1	ZINC001691524642	1158199292	/nfs/dbraw/zinc/19/92/92/1158199292.db2.gz	LGWYOEKPJFMJAF-GFCCVEGCSA-N	-1	0	323.397	0.262	20	30		DCEDRM
C=CCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1	ZINC001691543940	1158330747	/nfs/dbraw/zinc/33/07/47/1158330747.db2.gz	MVCJDAVKARPCHJ-NEPJUHHUSA-N	-1	0	305.382	0.757	20	30		DCEDRM
COC[C@H](NC(=O)CSc1ccc(C#N)cc1)c1nnn[n-]1	ZINC001455744237	1159760615	/nfs/dbraw/zinc/76/06/15/1159760615.db2.gz	ZQCPCTDUJMRFGF-NSHDSACASA-N	-1	0	318.362	0.667	20	30		DCEDRM
CC(C)C[C@@H](CNCC#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001568335959	1160630569	/nfs/dbraw/zinc/63/05/69/1160630569.db2.gz	JWZZIHBADXWIJT-NSHDSACASA-N	-1	0	316.365	0.280	20	30		DCEDRM
CC#CCCCC(=O)NC[C@@H]1CCCCN1C(=O)CNC(=O)[O-]	ZINC001573385099	1163420220	/nfs/dbraw/zinc/42/02/20/1163420220.db2.gz	UZYKFFXCUVIXQP-ZDUSSCGKSA-N	-1	0	323.393	0.945	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001574012446	1163623909	/nfs/dbraw/zinc/62/39/09/1163623909.db2.gz	LLBSPUHNELYYTJ-BDAKNGLRSA-N	-1	0	319.317	0.274	20	30		DCEDRM
Cc1cc(NC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])ncc1C#N	ZINC001574141151	1163647341	/nfs/dbraw/zinc/64/73/41/1163647341.db2.gz	JEEJKKYCIPLYBJ-BDAKNGLRSA-N	-1	0	319.321	0.361	20	30		DCEDRM
Cc1cccc(S(=O)(=O)NCc2[nH]cnc2C(=O)[O-])c1C#N	ZINC001574166015	1163649542	/nfs/dbraw/zinc/64/95/42/1163649542.db2.gz	UERLCIIHYGZNLA-UHFFFAOYSA-N	-1	0	320.330	0.767	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N1CCC[C@@H]1c1n[nH]nc1C(=O)[O-]	ZINC001574208585	1163664389	/nfs/dbraw/zinc/66/43/89/1163664389.db2.gz	IJQNFAJKUICTKQ-SECBINFHSA-N	-1	0	314.305	0.690	20	30		DCEDRM
Cc1onc(CC(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])c1C#N	ZINC001574208249	1163664883	/nfs/dbraw/zinc/66/48/83/1163664883.db2.gz	XPEPDCHWMOTDNO-SKDRFNHKSA-N	-1	0	307.306	0.536	20	30		DCEDRM
N#Cc1ccc(C(=O)NCc2nc(CC(=O)[O-])cs2)nc1	ZINC001574244958	1163672191	/nfs/dbraw/zinc/67/21/91/1163672191.db2.gz	CNUVJYYCAUVAHY-UHFFFAOYSA-N	-1	0	302.315	0.967	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)NCc1[nH]cnc1C(=O)[O-]	ZINC001574241277	1163672261	/nfs/dbraw/zinc/67/22/61/1163672261.db2.gz	JYAAMCDJLGLALU-UHFFFAOYSA-N	-1	0	320.330	0.652	20	30		DCEDRM
N#Cc1cc(N[C@H]2CN(C(=O)[O-])C[C@H]2CO)nc(C2CC2)n1	ZINC001574245224	1163672626	/nfs/dbraw/zinc/67/26/26/1163672626.db2.gz	ISMYQDDNAMDFEI-ONGXEEELSA-N	-1	0	303.322	0.608	20	30		DCEDRM
N#Cc1ccc(OCC(=O)NCc2[nH]cnc2C(=O)[O-])cc1	ZINC001574250008	1163674253	/nfs/dbraw/zinc/67/42/53/1163674253.db2.gz	QPDOIIBVRNVQCF-UHFFFAOYSA-N	-1	0	300.274	0.675	20	30		DCEDRM
N#Cc1ncc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)nc1C#N	ZINC001574249636	1163674911	/nfs/dbraw/zinc/67/49/11/1163674911.db2.gz	YPIFTFCHGLEPOT-RNFRBKRXSA-N	-1	0	311.223	0.919	20	30		DCEDRM
N#Cc1ccc(NC(=O)NC[C@@]2(C(=O)[O-])CCCOC2)nc1	ZINC001574250363	1163675696	/nfs/dbraw/zinc/67/56/96/1163675696.db2.gz	ZYAXGQBLUMFCPM-AWEZNQCLSA-N	-1	0	304.306	0.956	20	30		DCEDRM
C[C@H]1CSCCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001576377159	1164319760	/nfs/dbraw/zinc/31/97/60/1164319760.db2.gz	GDGAKOIZLSNUJR-MRVPVSSYSA-N	-1	0	302.367	0.718	20	30		DCEDRM
CCNc1cc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)ccn1	ZINC001578239377	1164957727	/nfs/dbraw/zinc/95/77/27/1164957727.db2.gz	BJJJPBDPCJZOIW-UHFFFAOYSA-N	-1	0	322.336	0.967	20	30		DCEDRM
CN(C)c1ccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)cn1	ZINC001578998490	1165183137	/nfs/dbraw/zinc/18/31/37/1165183137.db2.gz	MQRSQVIWYCEWEM-UHFFFAOYSA-N	-1	0	310.325	0.026	20	30		DCEDRM
C[S@](=O)[C@H]1CC[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001580172140	1165528609	/nfs/dbraw/zinc/52/86/09/1165528609.db2.gz	MFZGNGWVCKLYFL-OPBZGHIISA-N	-1	0	318.366	0.240	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N([C@@H](C)C#N)C1CC1	ZINC001580596472	1165649923	/nfs/dbraw/zinc/64/99/23/1165649923.db2.gz	UWELZHSNUQGYKV-QMMMGPOBSA-N	-1	0	313.321	0.792	20	30		DCEDRM
Cc1cccc([C@H](O)CNc2cnc(C#N)c(-c3nnn[n-]3)n2)c1	ZINC001581232671	1165801958	/nfs/dbraw/zinc/80/19/58/1165801958.db2.gz	BKLNCJMOQSFRDK-GFCCVEGCSA-N	-1	0	322.332	0.982	20	30		DCEDRM
N#CCCNS(=O)(=O)Cc1ccc(F)cc1-c1nn[nH]n1	ZINC001581858035	1165889854	/nfs/dbraw/zinc/88/98/54/1165889854.db2.gz	ODZXOFHJAKTVBK-UHFFFAOYSA-N	-1	0	310.314	0.339	20	30		DCEDRM
N#CCN[C@H]1CCC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001581857944	1165890390	/nfs/dbraw/zinc/89/03/90/1165890390.db2.gz	KXSZNEZOHCNLBK-QWRGUYRKSA-N	-1	0	314.353	0.349	20	30		DCEDRM
N#Cc1nc(NCCn2cnc(-c3nnn[n-]3)n2)sc1Cl	ZINC001581880997	1165899897	/nfs/dbraw/zinc/89/98/97/1165899897.db2.gz	DNPUJSMENIQTHQ-UHFFFAOYSA-N	-1	0	322.745	0.552	20	30		DCEDRM
N#Cc1ncc(NC[C@H]2CCC[C@@H](O)C2)nc1-c1nnn[n-]1	ZINC001581884193	1165904203	/nfs/dbraw/zinc/90/42/03/1165904203.db2.gz	ONPNEMFVMXMMEF-DTWKUNHWSA-N	-1	0	300.326	0.491	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F	ZINC001583439643	1166253929	/nfs/dbraw/zinc/25/39/29/1166253929.db2.gz	UZJXOJGZXASJBZ-GFCCVEGCSA-N	-1	0	323.324	0.423	20	30		DCEDRM
C#C[C@@H](CCC)NS(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001588327607	1166523038	/nfs/dbraw/zinc/52/30/38/1166523038.db2.gz	NBEWLFJYEGUAPU-VIFPVBQESA-N	-1	0	306.351	0.342	20	30		DCEDRM
C=C[C@H](CO)N[C@@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1	ZINC001588728181	1166582008	/nfs/dbraw/zinc/58/20/08/1166582008.db2.gz	NUYKZTGCIBCZDF-VXGBXAGGSA-N	-1	0	303.322	0.217	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C)c(-c2nn[nH]n2)c1	ZINC001588752873	1166587012	/nfs/dbraw/zinc/58/70/12/1166587012.db2.gz	WJWAPWILDGENFB-UHFFFAOYSA-N	-1	0	319.346	0.258	20	30		DCEDRM
C[C@H](C(=O)OCc1ccc(C#N)cc1)n1cnc(-c2nnn[n-]2)n1	ZINC001589031219	1166630777	/nfs/dbraw/zinc/63/07/77/1166630777.db2.gz	WAHFWRFNNAECHP-SECBINFHSA-N	-1	0	324.304	0.634	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001589788475	1166687865	/nfs/dbraw/zinc/68/78/65/1166687865.db2.gz	WZPHLQNOTLSBQH-MRVPVSSYSA-N	-1	0	320.334	0.221	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)Cn1ccc(-c2nnn[n-]2)cc1=O	ZINC001590682104	1166972377	/nfs/dbraw/zinc/97/23/77/1166972377.db2.gz	BGLBHJLUNINHOV-SNVBAGLBSA-N	-1	0	315.337	0.037	20	30		DCEDRM
CO[C@](C)(C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)C1CC1	ZINC001591314144	1167209571	/nfs/dbraw/zinc/20/95/71/1167209571.db2.gz	HTOTWRGHVDEWDM-LBPRGKRZSA-N	-1	0	302.298	0.215	20	30		DCEDRM
Cc1cccc(OCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC001592237187	1167478384	/nfs/dbraw/zinc/47/83/84/1167478384.db2.gz	QJYLVVCGGVJFQM-UHFFFAOYSA-N	-1	0	324.304	0.787	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1nnsc1Cl	ZINC001592335460	1167491188	/nfs/dbraw/zinc/49/11/88/1167491188.db2.gz	DQKPMSLFRPJBHG-UHFFFAOYSA-N	-1	0	307.730	0.797	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cc(C3CC3)[nH]n2)[n-]c1-c1nn[nH]n1	ZINC001592682129	1167600632	/nfs/dbraw/zinc/60/06/32/1167600632.db2.gz	QEUAWQVJTLBDLC-UHFFFAOYSA-N	-1	0	310.281	0.314	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](C(=O)[O-])C1	ZINC001598795106	1168035854	/nfs/dbraw/zinc/03/58/54/1168035854.db2.gz	CVAVMSLIXLKZPJ-KCJUWKMLSA-N	-1	0	305.290	0.365	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2cc(C#N)oc2C)[C@H](C(=O)[O-])C1	ZINC001598799321	1168041376	/nfs/dbraw/zinc/04/13/76/1168041376.db2.gz	TXJMNFBRTPNSHI-CABZTGNLSA-N	-1	0	320.301	0.938	20	30		DCEDRM
Cc1cc(=O)n(C)cc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001600067133	1168110559	/nfs/dbraw/zinc/11/05/59/1168110559.db2.gz	UXABCHDRWYIIOJ-UHFFFAOYSA-N	-1	0	318.333	0.916	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)NCCC(=O)NCCC(=O)[O-])c1	ZINC001600074280	1168111112	/nfs/dbraw/zinc/11/11/12/1168111112.db2.gz	VWBRHWWCRZZMHU-UHFFFAOYSA-N	-1	0	318.333	0.969	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC001600075042	1168111913	/nfs/dbraw/zinc/11/19/13/1168111913.db2.gz	ZWLWTCZLUNVVCX-INIZCTEOSA-N	-1	0	302.330	0.766	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)ccc1C#N	ZINC001600710576	1168259963	/nfs/dbraw/zinc/25/99/63/1168259963.db2.gz	HDAGQRJGVZEPCT-LDYMZIIASA-N	-1	0	316.317	0.379	20	30		DCEDRM
Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1ccc(C#N)cn1	ZINC001600780261	1168293278	/nfs/dbraw/zinc/29/32/78/1168293278.db2.gz	ZHDNDUJZRLTWHR-UHFFFAOYSA-N	-1	0	313.317	0.781	20	30		DCEDRM
Cc1nsc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1C#N	ZINC001600819609	1168474643	/nfs/dbraw/zinc/47/46/43/1168474643.db2.gz	GAAUTAIOWOADKI-HTQZYQBOSA-N	-1	0	310.335	0.623	20	30		DCEDRM
Cc1oc(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1C(=O)[O-]	ZINC001600846254	1168484831	/nfs/dbraw/zinc/48/48/31/1168484831.db2.gz	MTAGRWOZZDCLQR-AWEZNQCLSA-N	-1	0	323.280	0.367	20	30		DCEDRM
Cc1oc(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1C(=O)[O-]	ZINC001600846259	1168485013	/nfs/dbraw/zinc/48/50/13/1168485013.db2.gz	MTAGRWOZZDCLQR-CQSZACIVSA-N	-1	0	323.280	0.367	20	30		DCEDRM
Cn1nc(C2CC2)nc1CC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001601008171	1168560380	/nfs/dbraw/zinc/56/03/80/1168560380.db2.gz	BKCSEZWTTIECQV-UHFFFAOYSA-N	-1	0	317.349	0.452	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2CC2)CC1	ZINC001601052171	1168577767	/nfs/dbraw/zinc/57/77/67/1168577767.db2.gz	LNHCRLNBVRMWEF-UHFFFAOYSA-N	-1	0	316.379	0.433	20	30		DCEDRM
N#CC1(CS(=O)(=O)NCc2cccc(OCC(=O)[O-])c2)CC1	ZINC001601057850	1168579315	/nfs/dbraw/zinc/57/93/15/1168579315.db2.gz	IKABRYSBXWSBGQ-UHFFFAOYSA-N	-1	0	324.358	0.873	20	30		DCEDRM
N#CC1(c2ccccn2)CCN(CC(=O)NCCC(=O)[O-])CC1	ZINC001601058527	1168579367	/nfs/dbraw/zinc/57/93/67/1168579367.db2.gz	NGOMLIWGVRGBAN-UHFFFAOYSA-N	-1	0	316.361	0.530	20	30		DCEDRM
N#CCCN1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	ZINC001601067866	1168580196	/nfs/dbraw/zinc/58/01/96/1168580196.db2.gz	RAMQZFXGSUIBSX-UHFFFAOYSA-N	-1	0	324.381	0.109	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)Cc1cnn(-c2ccccc2)n1	ZINC001601069126	1168580291	/nfs/dbraw/zinc/58/02/91/1168580291.db2.gz	AAEQNDCLTAYBOA-UHFFFAOYSA-N	-1	0	313.317	0.637	20	30		DCEDRM
N#CCCCC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC001601066241	1168580509	/nfs/dbraw/zinc/58/05/09/1168580509.db2.gz	ICCFJCULQSOTNZ-UHFFFAOYSA-N	-1	0	303.322	0.517	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cnn(-c2ccccn2)c1N	ZINC001601071856	1168580944	/nfs/dbraw/zinc/58/09/44/1168580944.db2.gz	KDZGJPLYDGLYKM-UHFFFAOYSA-N	-1	0	314.305	0.290	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CC2(CCC2)CO1	ZINC001601071718	1168581025	/nfs/dbraw/zinc/58/10/25/1168581025.db2.gz	AENRBMVUSDNQBC-JTQLQIEISA-N	-1	0	302.352	0.186	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@]1(c2ccccc2)CCC(=O)NC1	ZINC001601069813	1168581153	/nfs/dbraw/zinc/58/11/53/1168581153.db2.gz	GTLGXCFLFFSJJE-INIZCTEOSA-N	-1	0	315.329	0.271	20	30		DCEDRM
N#CCN1CCC(N2C(=O)[C@@H]3C[C@@H](C(=O)[O-])CCN3C2=O)CC1	ZINC001601073332	1168581583	/nfs/dbraw/zinc/58/15/83/1168581583.db2.gz	PTHIXQKWMXXBGJ-JQWIXIFHSA-N	-1	0	320.349	0.102	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1	ZINC001601074284	1168581596	/nfs/dbraw/zinc/58/15/96/1168581596.db2.gz	QKTOKKYQLDRYBY-HNNXBMFYSA-N	-1	0	304.302	0.179	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)C[C@H]1CCC2(CCC2)O1	ZINC001601072596	1168581711	/nfs/dbraw/zinc/58/17/11/1168581711.db2.gz	UFKVLPDNEDRTMR-SNVBAGLBSA-N	-1	0	302.352	0.328	20	30		DCEDRM
N#CCN(CCC(=O)[O-])CC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC001601072371	1168581838	/nfs/dbraw/zinc/58/18/38/1168581838.db2.gz	HYMAVVQZBMBALV-UHFFFAOYSA-N	-1	0	306.278	0.834	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1	ZINC001601075526	1168582216	/nfs/dbraw/zinc/58/22/16/1168582216.db2.gz	JTZONFGPHBPEMW-GXTWGEPZSA-N	-1	0	304.302	0.490	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	ZINC001601079799	1168583028	/nfs/dbraw/zinc/58/30/28/1168583028.db2.gz	SHKMLVJAFGTAIS-ZBAXXZLZSA-N	-1	0	319.361	0.364	20	30		DCEDRM
N#C[C@]12CN([C@@H](C(=O)[O-])c3cccnc3)C[C@H]1CS(=O)(=O)C2	ZINC001601079830	1168583093	/nfs/dbraw/zinc/58/30/93/1168583093.db2.gz	OAQHKCMZRZWRME-OUCADQQQSA-N	-1	0	321.358	0.077	20	30		DCEDRM
N#Cc1ccc(C2(C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)CC2)cc1	ZINC001601099876	1168584563	/nfs/dbraw/zinc/58/45/63/1168584563.db2.gz	WICGKONPYWLCGU-JSGCOSHPSA-N	-1	0	314.341	0.884	20	30		DCEDRM
N#Cc1ccc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)nc1	ZINC001601094539	1168584648	/nfs/dbraw/zinc/58/46/48/1168584648.db2.gz	ZISXHPCYRJOCBO-XHDPSFHLSA-N	-1	0	301.302	0.517	20	30		DCEDRM
N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])C2)c(F)c1	ZINC001601104577	1168585398	/nfs/dbraw/zinc/58/53/98/1168585398.db2.gz	LEVBVBDVVUIDNI-PWSUYJOCSA-N	-1	0	321.308	0.085	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@H]2C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC001601104948	1168585614	/nfs/dbraw/zinc/58/56/14/1168585614.db2.gz	OJKGJVIJUPEIBD-NSHDSACASA-N	-1	0	318.289	0.636	20	30		DCEDRM
N#Cc1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)cc1F	ZINC001601106850	1168586015	/nfs/dbraw/zinc/58/60/15/1168586015.db2.gz	HDWNCMLMRMEBFX-LLVKDONJSA-N	-1	0	319.292	0.959	20	30		DCEDRM
N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1	ZINC001601108836	1168586178	/nfs/dbraw/zinc/58/61/78/1168586178.db2.gz	URLNZLCVIIZIFX-YTWAJWBKSA-N	-1	0	301.306	0.128	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H]2C(=O)[O-])nc1	ZINC001601110492	1168586930	/nfs/dbraw/zinc/58/69/30/1168586930.db2.gz	AJLSMMXCHCQEKH-NSHDSACASA-N	-1	0	309.347	0.276	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)C2(n3cnnn3)CC2)C(=O)[O-])c1	ZINC001601117469	1168587379	/nfs/dbraw/zinc/58/73/79/1168587379.db2.gz	BEARBXRWRLUGPL-NSHDSACASA-N	-1	0	313.273	0.403	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)[C@H]2CCNC(=O)C2)C(=O)[O-])c1	ZINC001601119027	1168587425	/nfs/dbraw/zinc/58/74/25/1168587425.db2.gz	TUIIRHJPBVNWKE-WCQYABFASA-N	-1	0	302.286	0.753	20	30		DCEDRM
N#Cc1cccc(CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c1	ZINC001601123041	1168588261	/nfs/dbraw/zinc/58/82/61/1168588261.db2.gz	WITWFQOIYSFHAR-HNNXBMFYSA-N	-1	0	302.330	0.785	20	30		DCEDRM
N#Cc1cccc(CNC(=O)COC(=O)CCCC(=O)[O-])c1	ZINC001601122339	1168588873	/nfs/dbraw/zinc/58/88/73/1168588873.db2.gz	IYQGEEDLJMXELS-UHFFFAOYSA-N	-1	0	304.302	0.973	20	30		DCEDRM
N#Cc1ccnc(N2CCN(c3cncc(C(=O)[O-])n3)CC2)c1	ZINC001601127801	1168589320	/nfs/dbraw/zinc/58/93/20/1168589320.db2.gz	YDWGLIOPPRUPLB-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)c1csc(C(=O)[O-])n1	ZINC001601128392	1168590137	/nfs/dbraw/zinc/59/01/37/1168590137.db2.gz	OSBRYQAPOPARNV-UHFFFAOYSA-N	-1	0	317.330	0.950	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001601129543	1168591333	/nfs/dbraw/zinc/59/13/33/1168591333.db2.gz	JAIPINKYURTHMY-SECBINFHSA-N	-1	0	307.331	0.881	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CC[C@](F)(C(=O)[O-])C1)cc2=O	ZINC001601131359	1168591852	/nfs/dbraw/zinc/59/18/52/1168591852.db2.gz	XPGKAOJTSBPMMC-CYBMUJFWSA-N	-1	0	305.269	0.305	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CC[C@@H]2NC(=O)OC[C@H]2C1	ZINC001601132942	1168592371	/nfs/dbraw/zinc/59/23/71/1168592371.db2.gz	HRGJNXRBAASYLC-BDAKNGLRSA-N	-1	0	302.290	0.586	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CC[C@@H](CN2CCOC2=O)C1	ZINC001601133758	1168592936	/nfs/dbraw/zinc/59/29/36/1168592936.db2.gz	UUJSUQBYFLTWCN-SNVBAGLBSA-N	-1	0	316.317	0.930	20	30		DCEDRM
NC(=NO[C@H]1CCCN(CCC(=O)[O-])C1=O)c1cccs1	ZINC001601136277	1168594121	/nfs/dbraw/zinc/59/41/21/1168594121.db2.gz	BRZUCDYSDKHLGA-VIFPVBQESA-N	-1	0	311.363	0.851	20	30		DCEDRM
O=C([O-])c1nccc(N[C@@H]2C[C@@H](CNC(=O)C#CC3CC3)C2)n1	ZINC001601223741	1168666187	/nfs/dbraw/zinc/66/61/87/1168666187.db2.gz	KUGVSJJALYOVEG-HAQNSBGRSA-N	-1	0	314.345	0.317	20	30		DCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001601223204	1168667007	/nfs/dbraw/zinc/66/70/07/1168667007.db2.gz	FHYSWAWFJSUYNH-IAQYHMDHSA-N	-1	0	317.297	0.373	20	30		DCEDRM
O=C([O-])[C@@H]1CSCCN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC001601860447	1168918715	/nfs/dbraw/zinc/91/87/15/1168918715.db2.gz	SPFVFXLPRQNKGL-NSHDSACASA-N	-1	0	319.338	0.795	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC	ZINC001602671128	1169155855	/nfs/dbraw/zinc/15/58/55/1169155855.db2.gz	NMQHVYHUJZEXSN-SECBINFHSA-N	-1	0	304.302	0.860	20	30		DCEDRM
C#CC[C@H](COC)NS(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001602682510	1169158359	/nfs/dbraw/zinc/15/83/59/1169158359.db2.gz	AFAYNQBOMYFJDZ-SNVBAGLBSA-N	-1	0	300.336	0.040	20	30		DCEDRM
C#CC[C@H](CCOC)NS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001602683645	1169158366	/nfs/dbraw/zinc/15/83/66/1169158366.db2.gz	RVXAXENBFIXBBY-SNVBAGLBSA-N	-1	0	301.320	0.685	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001602708236	1169165797	/nfs/dbraw/zinc/16/57/97/1169165797.db2.gz	JZXLUQZKLZGIDY-UHFFFAOYSA-N	-1	0	309.347	0.583	20	30		DCEDRM
C#CCCCc1nnc(N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)n1C	ZINC001602711003	1169166518	/nfs/dbraw/zinc/16/65/18/1169166518.db2.gz	ZHVZADMUOZGMDP-OAHLLOKOSA-N	-1	0	317.349	0.581	20	30		DCEDRM
C#CC[C@@H]1NC(=O)N(c2ccc3cnn(CC(=O)[O-])c3c2)C1=O	ZINC001602701809	1169166695	/nfs/dbraw/zinc/16/66/95/1169166695.db2.gz	YDOXAVCNYJXKMC-NSHDSACASA-N	-1	0	312.285	0.569	20	30		DCEDRM
C#CCCCCCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001602702516	1169166770	/nfs/dbraw/zinc/16/67/70/1169166770.db2.gz	FNFWVGWKNJURMD-ZIAGYGMSSA-N	-1	0	320.389	0.960	20	30		DCEDRM
C#CCN1CCC[C@H](NS(=O)(=O)c2ccccc2C(=O)[O-])C1	ZINC001602720358	1169169549	/nfs/dbraw/zinc/16/95/49/1169169549.db2.gz	OTTAZLMUGVDBGZ-LBPRGKRZSA-N	-1	0	322.386	0.761	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001602725781	1169173353	/nfs/dbraw/zinc/17/33/53/1169173353.db2.gz	HUMHTLBCGGXIER-GHMZBOCLSA-N	-1	0	320.349	0.472	20	30		DCEDRM
C#Cc1cncc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)OC)c1	ZINC001602743253	1169176099	/nfs/dbraw/zinc/17/60/99/1169176099.db2.gz	KCBHRZUNOZAVFZ-DGCLKSJQSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001602747635	1169178155	/nfs/dbraw/zinc/17/81/55/1169178155.db2.gz	XQSHJGDZDVWMLV-QWHCGFSZSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)N(C)CCC(=O)[O-]	ZINC001602747101	1169178409	/nfs/dbraw/zinc/17/84/09/1169178409.db2.gz	KTFOKBHJZOZUDP-CMPLNLGQSA-N	-1	0	306.384	0.209	20	30		DCEDRM
C=C(C)CONC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001602764825	1169181475	/nfs/dbraw/zinc/18/14/75/1169181475.db2.gz	SNHZJERVJCTVLI-UHFFFAOYSA-N	-1	0	309.326	0.831	20	30		DCEDRM
C=C(C)COCCn1nnnc1N1CCC[C@](C)(C(=O)[O-])C1	ZINC001602764734	1169181574	/nfs/dbraw/zinc/18/15/74/1169181574.db2.gz	NZHQSAHZQFRCQX-AWEZNQCLSA-N	-1	0	309.370	0.957	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1	ZINC001602776871	1169182563	/nfs/dbraw/zinc/18/25/63/1169182563.db2.gz	ZXAIGVLWZKGWCT-JTQLQIEISA-N	-1	0	322.321	0.259	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCn2c(nnc2C(F)F)C1	ZINC001602777810	1169183330	/nfs/dbraw/zinc/18/33/30/1169183330.db2.gz	FHEIWFJERUKDLP-UHFFFAOYSA-N	-1	0	300.265	0.979	20	30		DCEDRM
C=C[C@@H](OC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-]	ZINC001602826354	1169188508	/nfs/dbraw/zinc/18/85/08/1169188508.db2.gz	AQCQIVFWCAIWBG-CYBMUJFWSA-N	-1	0	319.313	0.955	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CCO[C@@H](CC(=O)[O-])C2)n1CC(=C)C	ZINC001602820441	1169189016	/nfs/dbraw/zinc/18/90/16/1169189016.db2.gz	HMUXCRUUTFIETJ-NWDGAFQWSA-N	-1	0	322.365	0.754	20	30		DCEDRM
C=CCCC[C@H](NC(=O)C1=C(C)N(C)c2nnnn2C1)C(=O)[O-]	ZINC001602862476	1169193710	/nfs/dbraw/zinc/19/37/10/1169193710.db2.gz	FNDBTUGCBJTDQH-NSHDSACASA-N	-1	0	320.353	0.323	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@@H](CNc2ccnc(C(=O)[O-])n2)C1	ZINC001602906494	1169202117	/nfs/dbraw/zinc/20/21/17/1169202117.db2.gz	IFZCESYRERTUSM-NSHDSACASA-N	-1	0	320.349	0.060	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001602907124	1169202307	/nfs/dbraw/zinc/20/23/07/1169202307.db2.gz	ZEUQMXQHRMFYGB-LLVKDONJSA-N	-1	0	306.322	0.390	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CC(c2ccccc2)=NO1)C(=O)[O-]	ZINC001602909902	1169202506	/nfs/dbraw/zinc/20/25/06/1169202506.db2.gz	LRJINRNLXOBNSG-KGLIPLIRSA-N	-1	0	318.329	0.952	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c(C)[nH]c(C(=O)OC)c1C)C(=O)[O-]	ZINC001602909368	1169202999	/nfs/dbraw/zinc/20/29/99/1169202999.db2.gz	TZFUZJULQBIZIV-JTQLQIEISA-N	-1	0	324.333	0.804	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1ccccc1C(=O)OC)C(=O)[O-]	ZINC001602909080	1169203309	/nfs/dbraw/zinc/20/33/09/1169203309.db2.gz	MXNMYYCFPAVBDV-ZDUSSCGKSA-N	-1	0	321.329	0.788	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc(-n2ccnn2)c1)C(=O)[O-]	ZINC001602913291	1169204379	/nfs/dbraw/zinc/20/43/79/1169204379.db2.gz	MZZVNJOPPRFTDG-ZDUSSCGKSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=CCOCCNC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001602920730	1169205641	/nfs/dbraw/zinc/20/56/41/1169205641.db2.gz	VFHCZJXGSAJYEM-NSHDSACASA-N	-1	0	323.353	0.525	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001602946720	1169218151	/nfs/dbraw/zinc/21/81/51/1169218151.db2.gz	DJHNCLDFBKIFKS-UHFFFAOYSA-N	-1	0	318.285	0.534	20	30		DCEDRM
C[C@H](C(=O)OCC(C)(C)CC#N)n1cnc(-c2nnn[n-]2)n1	ZINC001603031123	1169233311	/nfs/dbraw/zinc/23/33/11/1169233311.db2.gz	AAEATWBNOWJLST-MRVPVSSYSA-N	-1	0	304.314	0.502	20	30		DCEDRM
C[C@H](C(=O)Nc1cccc(CC#N)n1)n1cnc(-c2nnn[n-]2)n1	ZINC001603027913	1169234423	/nfs/dbraw/zinc/23/44/23/1169234423.db2.gz	KKEPYHALUMZLNF-MRVPVSSYSA-N	-1	0	324.308	0.119	20	30		DCEDRM
C[C@H](C#N)C(=O)N1C[C@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@H]2C1	ZINC001603129889	1169250292	/nfs/dbraw/zinc/25/02/92/1169250292.db2.gz	ODNAYIOYIUBRMN-JLLWLGSASA-N	-1	0	315.333	0.229	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC1(CC(=O)[O-])CCCC1	ZINC001603130158	1169250678	/nfs/dbraw/zinc/25/06/78/1169250678.db2.gz	SCOIBGAVQVCRKU-JTQLQIEISA-N	-1	0	303.384	0.700	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CCC1	ZINC001603130156	1169251080	/nfs/dbraw/zinc/25/10/80/1169251080.db2.gz	RXLJAMHYAPAYMP-VIFPVBQESA-N	-1	0	303.322	0.785	20	30		DCEDRM
C[C@@H](C(=O)NCC(=O)[O-])N1CCN(c2ccc(C#N)cc2)CC1	ZINC001603161481	1169260392	/nfs/dbraw/zinc/26/03/92/1169260392.db2.gz	QVNVVKSFQNMKAR-LBPRGKRZSA-N	-1	0	316.361	0.270	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(CC(F)F)S(=O)(=O)c1cncc(C#N)c1	ZINC001603198735	1169273074	/nfs/dbraw/zinc/27/30/74/1169273074.db2.gz	OABAKAPPAXXNKW-ZETCQYMHSA-N	-1	0	319.289	0.682	20	30		DCEDRM
C[C@H](C(=O)[O-])c1ccc(NC(=O)NCC(=O)NCC#N)cc1	ZINC001603209412	1169276148	/nfs/dbraw/zinc/27/61/48/1169276148.db2.gz	ORHJZOIFVOKULV-VIFPVBQESA-N	-1	0	304.306	0.636	20	30		DCEDRM
C[C@H](CC(=O)N(CC#N)CCC(=O)[O-])NC(=O)C1CCCC1	ZINC001604065563	1169483755	/nfs/dbraw/zinc/48/37/55/1169483755.db2.gz	XPYUVZJEYVINHF-LLVKDONJSA-N	-1	0	309.366	0.898	20	30		DCEDRM
C[C@H]1CCCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	ZINC001604734079	1169664890	/nfs/dbraw/zinc/66/48/90/1169664890.db2.gz	LMDMRXKCBNPEIK-LBPRGKRZSA-N	-1	0	321.377	0.852	20	30		DCEDRM
C[C@@H]1CN(Cc2noc(CCCC(=O)[O-])n2)C[C@H](C)N1CC#N	ZINC001604802264	1169691111	/nfs/dbraw/zinc/69/11/11/1169691111.db2.gz	XSCDCTWHPOTULK-TXEJJXNPSA-N	-1	0	321.381	0.895	20	30		DCEDRM
CCCC[C@@H](Sc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)[O-]	ZINC001605251833	1169882093	/nfs/dbraw/zinc/88/20/93/1169882093.db2.gz	UQYQQSWVRCLIII-SECBINFHSA-N	-1	0	311.363	0.691	20	30		DCEDRM
CCN(CCNC(=O)C#CC1CC1)c1ccnc(C(=O)[O-])n1	ZINC001605449363	1169924568	/nfs/dbraw/zinc/92/45/68/1169924568.db2.gz	QJBVYTMVTJTVTP-UHFFFAOYSA-N	-1	0	302.334	0.531	20	30		DCEDRM
CN(C(=O)C(=O)N1CCC[C@@](C)(C#N)C1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001605952203	1170032711	/nfs/dbraw/zinc/03/27/11/1170032711.db2.gz	SFFDOQPOSCUQSF-RWSFTLGLSA-N	-1	0	307.350	0.460	20	30		DCEDRM
CN(C(=O)C(=O)Nc1cccc(C#N)c1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001605950400	1170033407	/nfs/dbraw/zinc/03/34/07/1170033407.db2.gz	OMXIQCUYHDHKMQ-KLPPZKSPSA-N	-1	0	301.302	0.818	20	30		DCEDRM
Cc1nc(C#N)c(-c2nn[nH]n2)n1Cc1ccc(Cl)nn1	ZINC001606023665	1170055090	/nfs/dbraw/zinc/05/50/90/1170055090.db2.gz	BOOJVNGVKUPVFI-UHFFFAOYSA-N	-1	0	301.701	0.735	20	30		DCEDRM
Cc1nc(C#N)c(-c2nn[nH]n2)n1Cc1nnc(-c2ccco2)o1	ZINC001606023807	1170055451	/nfs/dbraw/zinc/05/54/51/1170055451.db2.gz	ISXXXRFZPHXBJN-UHFFFAOYSA-N	-1	0	323.276	0.935	20	30		DCEDRM
N#CC1(NC(=O)c2cc(-c3nn[nH]n3)ccn2)CCSCC1	ZINC001606344327	1170163455	/nfs/dbraw/zinc/16/34/55/1170163455.db2.gz	ILDWKAZPTHJLNF-UHFFFAOYSA-N	-1	0	315.362	0.781	20	30		DCEDRM
N#Cc1nc(NC(=O)C2(C(F)(F)F)CC2)[n-]c1-c1nn[nH]n1	ZINC001606354637	1170167954	/nfs/dbraw/zinc/16/79/54/1170167954.db2.gz	MMHNLTLUGRMZIN-UHFFFAOYSA-N	-1	0	312.215	0.742	20	30		DCEDRM
N#Cc1ncc(N2CC(c3ccccn3)C2)nc1-c1nnn[n-]1	ZINC001606397725	1170183940	/nfs/dbraw/zinc/18/39/40/1170183940.db2.gz	XOPSOFVRVYFUBP-UHFFFAOYSA-N	-1	0	305.305	0.527	20	30		DCEDRM
N#Cc1ncn(Cc2cc([O-])ccc2[N+](=O)[O-])c1-c1nn[nH]n1	ZINC001606398826	1170185993	/nfs/dbraw/zinc/18/59/93/1170185993.db2.gz	XMNHIZNQIYUNFE-UHFFFAOYSA-N	-1	0	312.249	0.597	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)s2)C[C@H]1C(=O)[O-]	ZINC001606419830	1170193276	/nfs/dbraw/zinc/19/32/76/1170193276.db2.gz	GBTARFFVHQGNKF-RKDXNWHRSA-N	-1	0	308.315	0.566	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2cc(C#N)cs2)C[C@@H]1C(=O)[O-]	ZINC001606420561	1170193799	/nfs/dbraw/zinc/19/37/99/1170193799.db2.gz	IPZXDJQYIWJCCO-IUCAKERBSA-N	-1	0	308.315	0.566	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])n(CN(CCC#N)CCC#N)n1	ZINC001606536624	1170231104	/nfs/dbraw/zinc/23/11/04/1170231104.db2.gz	GNFBDWAHYCICOH-UHFFFAOYSA-N	-1	0	305.294	0.455	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001607065558	1170377245	/nfs/dbraw/zinc/37/72/45/1170377245.db2.gz	SSOSIUPTFQLAEF-NSHDSACASA-N	-1	0	304.302	0.883	20	30		DCEDRM
COc1ccc(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cc1C#N	ZINC001607260347	1170420071	/nfs/dbraw/zinc/42/00/71/1170420071.db2.gz	HUWOGOLGGXMMTB-KLPPZKSPSA-N	-1	0	324.358	0.849	20	30		DCEDRM
C[C@@H]1CN(C(=O)NCC#Cc2ccccc2)C[C@@H](C(=O)[O-])O1	ZINC001607432049	1170451568	/nfs/dbraw/zinc/45/15/68/1170451568.db2.gz	FHOVIRCXWWHDHO-OCCSQVGLSA-N	-1	0	302.330	0.922	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H](C(=O)[O-])O1	ZINC001607479062	1170463578	/nfs/dbraw/zinc/46/35/78/1170463578.db2.gz	LSVCQFPBKKWUGY-CBAPKCEASA-N	-1	0	316.360	0.482	20	30		DCEDRM
Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c(C(=O)[O-])c1	ZINC001607795752	1170507407	/nfs/dbraw/zinc/50/74/07/1170507407.db2.gz	GDOFQGADPIAUMR-SNVBAGLBSA-N	-1	0	317.301	0.383	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001607838485	1170511833	/nfs/dbraw/zinc/51/18/33/1170511833.db2.gz	LJCUNQWQLVORSY-RYUDHWBXSA-N	-1	0	324.358	0.465	20	30		DCEDRM
Cc1nsc(NC(=O)N2CCC(O)(C(=O)[O-])CC2)c1C#N	ZINC001608030033	1170554188	/nfs/dbraw/zinc/55/41/88/1170554188.db2.gz	IJLCLJUVKCYVGR-UHFFFAOYSA-N	-1	0	310.335	0.767	20	30		DCEDRM
Cn1cc(-c2nc(C(=O)N(CC#N)CCC(=O)[O-])cs2)cn1	ZINC001608094221	1170568745	/nfs/dbraw/zinc/56/87/45/1170568745.db2.gz	FLMYDQKROHEXOK-UHFFFAOYSA-N	-1	0	319.346	0.984	20	30		DCEDRM
Cn1cc(S(=O)(=O)N2CC[C@](F)(C#N)C2)cc1C(=O)[O-]	ZINC001608120607	1170579867	/nfs/dbraw/zinc/57/98/67/1170579867.db2.gz	LWVTXXIPPPVFOZ-NSHDSACASA-N	-1	0	301.299	0.350	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCCCCCC2)CC1	ZINC001608171595	1170608097	/nfs/dbraw/zinc/60/80/97/1170608097.db2.gz	BNDVSDMREVVMRU-UHFFFAOYSA-N	-1	0	321.377	0.996	20	30		DCEDRM
N#C[C@]1(C(=O)NCCc2ncc(C(=O)[O-])s2)CCCOC1	ZINC001608171596	1170608252	/nfs/dbraw/zinc/60/82/52/1170608252.db2.gz	BZFISHMZSMKJLT-CYBMUJFWSA-N	-1	0	309.347	0.820	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CCO1	ZINC001608178731	1170609308	/nfs/dbraw/zinc/60/93/08/1170609308.db2.gz	AYIKNKYZXKUULV-OUAUKWLOSA-N	-1	0	302.352	0.184	20	30		DCEDRM
N#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1	ZINC001608179409	1170610241	/nfs/dbraw/zinc/61/02/41/1170610241.db2.gz	VUNIUYSBSJKQCG-HSMVNMDESA-N	-1	0	319.361	0.604	20	30		DCEDRM
N#CCCNC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC001608183500	1170611729	/nfs/dbraw/zinc/61/17/29/1170611729.db2.gz	CTZQCOIPXFEGMC-UHFFFAOYSA-N	-1	0	304.306	0.926	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@]1(O)CCc2ccccc2C1	ZINC001608183933	1170611776	/nfs/dbraw/zinc/61/17/76/1170611776.db2.gz	NQGVUBYUYWWBIY-INIZCTEOSA-N	-1	0	302.330	0.733	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CN1Cc2ccccc2C1=O	ZINC001608185469	1170611912	/nfs/dbraw/zinc/61/19/12/1170611912.db2.gz	SNXIZHPXZZPDEG-UHFFFAOYSA-N	-1	0	301.302	0.469	20	30		DCEDRM
N#CCSCC(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001608186685	1170612416	/nfs/dbraw/zinc/61/24/16/1170612416.db2.gz	DNKULYKHLNZTBY-UHFFFAOYSA-N	-1	0	321.362	0.080	20	30		DCEDRM
N#CCc1ccc(CS(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC001608188162	1170612561	/nfs/dbraw/zinc/61/25/61/1170612561.db2.gz	KTXVKYTURUHPJC-CHWSQXEVSA-N	-1	0	308.359	0.893	20	30		DCEDRM
N#CCc1cccc(NC(=O)Cn2cccc(C(=O)[O-])c2=O)n1	ZINC001608189771	1170613014	/nfs/dbraw/zinc/61/30/14/1170613014.db2.gz	LVHLYHWTYCXRJR-UHFFFAOYSA-N	-1	0	312.285	0.646	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CCC(=O)Nc2cccnc2)c1=O	ZINC001608196246	1170613729	/nfs/dbraw/zinc/61/37/29/1170613729.db2.gz	RZCJOKFLJMUQHC-UHFFFAOYSA-N	-1	0	312.285	0.842	20	30		DCEDRM
N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nc1	ZINC001608208674	1170615773	/nfs/dbraw/zinc/61/57/73/1170615773.db2.gz	KKGWIQNREZOXCB-VHYYUZIWSA-N	-1	0	300.318	0.758	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)s1	ZINC001608211873	1170616086	/nfs/dbraw/zinc/61/60/86/1170616086.db2.gz	NSHIGYCHPQIHCU-NSHDSACASA-N	-1	0	316.360	0.389	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1	ZINC001608218061	1170617468	/nfs/dbraw/zinc/61/74/68/1170617468.db2.gz	CVVGMGWAPRRNHC-ZQDZILKHSA-N	-1	0	314.341	0.956	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1	ZINC001608218057	1170617532	/nfs/dbraw/zinc/61/75/32/1170617532.db2.gz	CVVGMGWAPRRNHC-APIJFGDWSA-N	-1	0	314.341	0.956	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001608225193	1170619256	/nfs/dbraw/zinc/61/92/56/1170619256.db2.gz	QEVWHSIBWSMZQF-XCBNKYQSSA-N	-1	0	316.360	0.218	20	30		DCEDRM
N#Cc1csc(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1	ZINC001608224303	1170619304	/nfs/dbraw/zinc/61/93/04/1170619304.db2.gz	UPSGLVQEQKEJEE-UHFFFAOYSA-N	-1	0	312.332	0.520	20	30		DCEDRM
N#Cc1nccc(N2CCC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1	ZINC001608225662	1170619308	/nfs/dbraw/zinc/61/93/08/1170619308.db2.gz	XEUNVLFEBOUHAE-QWRGUYRKSA-N	-1	0	315.333	0.154	20	30		DCEDRM
C#C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)oc1C)[C@H]1CCCO1	ZINC001609018781	1170785409	/nfs/dbraw/zinc/78/54/09/1170785409.db2.gz	GETSEEWBVUHUMW-GHMZBOCLSA-N	-1	0	301.306	0.679	20	30		DCEDRM
C=CCCC(=O)COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001609053976	1170793373	/nfs/dbraw/zinc/79/33/73/1170793373.db2.gz	WIEIZZVTNNEFKT-QMMMGPOBSA-N	-1	0	305.298	0.098	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001609054274	1170793861	/nfs/dbraw/zinc/79/38/61/1170793861.db2.gz	DVXPLTHLCLWSRF-SNVBAGLBSA-N	-1	0	304.302	0.617	20	30		DCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001609054660	1170794767	/nfs/dbraw/zinc/79/47/67/1170794767.db2.gz	OWYKBMAVQRUZAP-ZETCQYMHSA-N	-1	0	304.258	0.190	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC001609054664	1170794837	/nfs/dbraw/zinc/79/48/37/1170794837.db2.gz	OWZLNISTKRJLOO-GFCCVEGCSA-N	-1	0	318.329	0.998	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O)C(=O)[O-]	ZINC001609076784	1170800405	/nfs/dbraw/zinc/80/04/05/1170800405.db2.gz	XZAWZBHJDLYPSC-FRRDWIJNSA-N	-1	0	301.298	0.884	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1)C(=O)[O-]	ZINC001609076328	1170800674	/nfs/dbraw/zinc/80/06/74/1170800674.db2.gz	HWPDFFZLQBGWIT-FZMZJTMJSA-N	-1	0	316.313	0.393	20	30		DCEDRM
C#CC[C@@H](NC(=O)CN1CCc2ccccc2C1=O)C(=O)[O-]	ZINC001609078999	1170802759	/nfs/dbraw/zinc/80/27/59/1170802759.db2.gz	RZEASYQNRHWDNC-CYBMUJFWSA-N	-1	0	300.314	0.278	20	30		DCEDRM
C#CCOc1cccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1	ZINC001609174948	1170843913	/nfs/dbraw/zinc/84/39/13/1170843913.db2.gz	SGUSSSBGTHMCQZ-YPMHNXCESA-N	-1	0	318.329	0.998	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001609248378	1170896763	/nfs/dbraw/zinc/89/67/63/1170896763.db2.gz	QYPIQDVLSSVFKG-GFCCVEGCSA-N	-1	0	324.377	0.409	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCc3[nH]nc(C(=O)[O-])c3C2)nn1	ZINC001609345894	1170948286	/nfs/dbraw/zinc/94/82/86/1170948286.db2.gz	MIRUNZGLSZJALY-UHFFFAOYSA-N	-1	0	316.321	0.474	20	30		DCEDRM
Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)O[C@H](C)C#N	ZINC001609378349	1170957748	/nfs/dbraw/zinc/95/77/48/1170957748.db2.gz	YINBCRUSCAXLOG-SSDOTTSWSA-N	-1	0	316.321	0.972	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)[O-]	ZINC001609432261	1170973456	/nfs/dbraw/zinc/97/34/56/1170973456.db2.gz	KZIVKCCOHHYKLU-QWHCGFSZSA-N	-1	0	319.313	0.540	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCc1c(C)nn(C)c1C)C(=O)[O-]	ZINC001609432212	1170974380	/nfs/dbraw/zinc/97/43/80/1170974380.db2.gz	JEFJKXWEWLHMMC-ZDUSSCGKSA-N	-1	0	309.366	0.742	20	30		DCEDRM
N#Cc1nc(NC(=O)Cc2ccsc2)[n-]c1-c1nn[nH]n1	ZINC001609496301	1170997860	/nfs/dbraw/zinc/99/78/60/1170997860.db2.gz	DGLNBYGXHZIOLQ-UHFFFAOYSA-N	-1	0	300.307	0.704	20	30		DCEDRM
CC(=O)N[C@@H](CS[C@@H](C)C(=O)N(C)CCC#N)C(=O)[O-]	ZINC001609622579	1171053504	/nfs/dbraw/zinc/05/35/04/1171053504.db2.gz	DECGFAGQGOUREU-WPRPVWTQSA-N	-1	0	301.368	0.069	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001609992552	1171132048	/nfs/dbraw/zinc/13/20/48/1171132048.db2.gz	BWZFEQZSWFGPHT-SMDDNHRTSA-N	-1	0	311.382	0.152	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NC1(CC(=O)[O-])CCCC1	ZINC001610000357	1171135441	/nfs/dbraw/zinc/13/54/41/1171135441.db2.gz	ORHXCCZVFGMEBN-UHFFFAOYSA-N	-1	0	303.384	0.844	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC001610181977	1171189617	/nfs/dbraw/zinc/18/96/17/1171189617.db2.gz	JVMLYHXDMYMGHH-QWHCGFSZSA-N	-1	0	316.313	0.748	20	30		DCEDRM
COc1ccc(NC(=O)C(=O)NC[C@@H](C)C#N)c(C(=O)[O-])c1	ZINC001610339982	1171221842	/nfs/dbraw/zinc/22/18/42/1171221842.db2.gz	GNEJAONPNLZEQW-QMMMGPOBSA-N	-1	0	305.290	0.608	20	30		DCEDRM
Cc1ccc(C(=O)[O-])c(O)c1NC(=O)Cn1cnc(C#N)n1	ZINC001610485212	1171242522	/nfs/dbraw/zinc/24/25/22/1171242522.db2.gz	AIFXVRLCBORCGP-UHFFFAOYSA-N	-1	0	301.262	0.501	20	30		DCEDRM
Cc1oc(CNC(=O)N2CC[C@@](O)(CC#N)C2)cc1C(=O)[O-]	ZINC001610584983	1171260758	/nfs/dbraw/zinc/26/07/58/1171260758.db2.gz	FVVJWWQSTKPJOT-AWEZNQCLSA-N	-1	0	307.306	0.846	20	30		DCEDRM
N#C[C@@H]1COCCN1CN1Cc2ccc(C(=O)[O-])cc2C1=O	ZINC001610620564	1171270360	/nfs/dbraw/zinc/27/03/60/1171270360.db2.gz	IYWOXEMGIYLKNW-GFCCVEGCSA-N	-1	0	301.302	0.522	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCSC[C@H](C(=O)[O-])C2)cc1	ZINC001610627211	1171272416	/nfs/dbraw/zinc/27/24/16/1171272416.db2.gz	BUHGRXAKYBAVAW-OLZOCXBDSA-N	-1	0	320.370	0.868	20	30		DCEDRM
N#Cc1cccc(NC(=O)N2CCc3[nH]nc(C(=O)[O-])c3C2)n1	ZINC001610631009	1171273074	/nfs/dbraw/zinc/27/30/74/1171273074.db2.gz	LKYGSKPESBTVFL-UHFFFAOYSA-N	-1	0	312.289	0.965	20	30		DCEDRM
N#Cc1cccc(OCCOC(=O)Cn2cc(C(=O)[O-])nn2)c1	ZINC001610632784	1171273417	/nfs/dbraw/zinc/27/34/17/1171273417.db2.gz	WQCLXUZMBKRJRR-UHFFFAOYSA-N	-1	0	316.273	0.470	20	30		DCEDRM
N#Cc1ccnc(C(=O)OCc2noc(CCC(=O)[O-])n2)c1	ZINC001610633332	1171273856	/nfs/dbraw/zinc/27/38/56/1171273856.db2.gz	GSNOICQOOFPZTC-UHFFFAOYSA-N	-1	0	302.246	0.710	20	30		DCEDRM
Cn1c2ccc(Nc3[n-]c(=O)n(C)c(=O)c3C#N)cc2oc1=O	ZINC001611929969	1171357983	/nfs/dbraw/zinc/35/79/83/1171357983.db2.gz	HXEDWAQCTLRWKA-UHFFFAOYSA-N	-1	0	313.273	0.134	20	30		DCEDRM
Cc1ccc([N+](=O)[O-])c(Oc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001611737803	1171358308	/nfs/dbraw/zinc/35/83/08/1171358308.db2.gz	HAGBMPOYSZYGEU-UHFFFAOYSA-N	-1	0	302.246	0.954	20	30		DCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001622055289	1171417691	/nfs/dbraw/zinc/41/76/91/1171417691.db2.gz	DALWPCHBTBTUGV-QMMMGPOBSA-N	-1	0	302.308	0.780	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCCS(C)(=O)=O	ZINC001639565784	1171842463	/nfs/dbraw/zinc/84/24/63/1171842463.db2.gz	XOQWKDAJBVKQTQ-UHFFFAOYSA-N	-1	0	311.363	0.522	20	30		DCEDRM
Cc1c(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)cnn1CCC#N	ZINC001641849673	1171931121	/nfs/dbraw/zinc/93/11/21/1171931121.db2.gz	RWVWUQHEYNRUCV-VIFPVBQESA-N	-1	0	304.310	0.033	20	30		DCEDRM
C#CCOc1ccccc1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001642278439	1171941665	/nfs/dbraw/zinc/94/16/65/1171941665.db2.gz	OYFQAMSCLZPAMZ-UHFFFAOYSA-N	-1	0	310.313	0.569	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)nn1	ZINC001643470120	1171976038	/nfs/dbraw/zinc/97/60/38/1171976038.db2.gz	CSCLXLFXVANLME-VIFPVBQESA-N	-1	0	306.326	0.658	20	30		DCEDRM
C[C@@](O)(Cn1ccccc1=O)C(=O)[N-]Oc1cccc(C#N)c1	ZINC001643520734	1171979951	/nfs/dbraw/zinc/97/99/51/1171979951.db2.gz	UGGMRIVZEMBZAD-MRXNPFEDSA-N	-1	0	313.313	0.581	20	30		DCEDRM
COC[C@H](NC(=O)c1ccc(C=NOC)cc1)c1nnn[n-]1	ZINC001644688860	1172013851	/nfs/dbraw/zinc/01/38/51/1172013851.db2.gz	JBKJUNPELYFTCK-NSHDSACASA-N	-1	0	304.310	0.298	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N(Cc1nnn[n-]1)CC(C)C	ZINC001644716895	1172019226	/nfs/dbraw/zinc/01/92/26/1172019226.db2.gz	GIGFNDXXXVNDMY-GFCCVEGCSA-N	-1	0	308.386	0.655	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC001645941756	1172190252	/nfs/dbraw/zinc/19/02/52/1172190252.db2.gz	BVYSNIVOZORTKO-LURJTMIESA-N	-1	0	301.349	0.202	20	30		DCEDRM
N#C[C@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC2CC2)C1	ZINC001646943758	1172592850	/nfs/dbraw/zinc/59/28/50/1172592850.db2.gz	DJUVUCGUZWIEEU-LLVKDONJSA-N	-1	0	313.365	0.652	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2CCN(C)C2=O)cc1C#N	ZINC001649758096	1173205291	/nfs/dbraw/zinc/20/52/91/1173205291.db2.gz	XGWZYDPAXVXMIU-VIFPVBQESA-N	-1	0	306.347	0.341	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)CO[C@H]1CCOC1)cc2=O	ZINC001649777495	1173216817	/nfs/dbraw/zinc/21/68/17/1173216817.db2.gz	WTNJQUMKCJTLOS-NSHDSACASA-N	-1	0	318.289	0.155	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCC[C@H](C)NC(=O)[C@H](C)C#N)c1[O-]	ZINC001679463738	1175733359	/nfs/dbraw/zinc/73/33/59/1175733359.db2.gz	ZQUJLDXAYQVZKM-BDAKNGLRSA-N	-1	0	307.354	0.598	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC001685556683	1176037866	/nfs/dbraw/zinc/03/78/66/1176037866.db2.gz	RRYAPVAJPVEPRC-ZDUSSCGKSA-N	-1	0	318.333	0.319	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001692385932	1177509484	/nfs/dbraw/zinc/50/94/84/1177509484.db2.gz	MDJHVVOVAMTOEW-NEPJUHHUSA-N	-1	0	305.382	0.783	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@@H](NCC#N)C(C)C)cc1=O	ZINC001698965208	1177739318	/nfs/dbraw/zinc/73/93/18/1177739318.db2.gz	CMMTXVIIESSZRX-CQSZACIVSA-N	-1	0	321.425	0.629	20	30		DCEDRM
C#CCOCCC(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001701191507	1178952665	/nfs/dbraw/zinc/95/26/65/1178952665.db2.gz	UPOWPZMZSFVXIN-SNVBAGLBSA-N	-1	0	322.365	0.040	20	30		DCEDRM
C#CCCCC(=O)N(C)CC[NH2+]Cc1cc(=O)n2[n-]ccc2n1	ZINC001713587568	1180945199	/nfs/dbraw/zinc/94/51/99/1180945199.db2.gz	WGVUDCKWFCIQNB-UHFFFAOYSA-N	-1	0	315.377	0.374	20	30		DCEDRM
C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001713936019	1181159913	/nfs/dbraw/zinc/15/99/13/1181159913.db2.gz	MEZBCMZHHFZROS-WOPDTQHZSA-N	-1	0	305.382	0.898	20	30		DCEDRM
N#CCNC1(CNC(=O)c2c[n-]n3c2nccc3=O)CCCC1	ZINC001715307874	1181766984	/nfs/dbraw/zinc/76/69/84/1181766984.db2.gz	ROXAYARGRPAQPW-UHFFFAOYSA-N	-1	0	314.349	0.178	20	30		DCEDRM
N#CCNC[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CC1	ZINC001716627150	1182470423	/nfs/dbraw/zinc/47/04/23/1182470423.db2.gz	MXDVBMGYWQDMEX-SNVBAGLBSA-N	-1	0	301.306	0.550	20	30		DCEDRM
CN(CCOCCNC(=O)C#CC(C)(C)C)Cc1n[nH]c(=O)[n-]1	ZINC001717710684	1182962371	/nfs/dbraw/zinc/96/23/71/1182962371.db2.gz	UMIQVPUWDKZNQM-UHFFFAOYSA-N	-1	0	323.397	0.124	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001718757347	1183345843	/nfs/dbraw/zinc/34/58/43/1183345843.db2.gz	YCSJOIJZVUZTDP-SNVBAGLBSA-N	-1	0	324.381	0.185	20	30		DCEDRM
C=C(C)CCC(=O)NCCCNC(=O)c1cnc([O-])n(C)c1=O	ZINC001720290666	1183551763	/nfs/dbraw/zinc/55/17/63/1183551763.db2.gz	AOTIBQRHXQOEKE-UHFFFAOYSA-N	-1	0	322.365	0.078	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001721063335	1183810168	/nfs/dbraw/zinc/81/01/68/1183810168.db2.gz	FEQPLLQLMQQXBQ-LLVKDONJSA-N	-1	0	324.381	0.593	20	30		DCEDRM
C=C[C@H](C)[C@H](C)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001721336141	1183896902	/nfs/dbraw/zinc/89/69/02/1183896902.db2.gz	IVJIVROXSCYCHI-IUCAKERBSA-N	-1	0	306.366	0.823	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H]1CNCC#N	ZINC001724610030	1184472992	/nfs/dbraw/zinc/47/29/92/1184472992.db2.gz	DUQMEWIOCURIFJ-ZJUUUORDSA-N	-1	0	315.333	0.750	20	30		DCEDRM
CCN(C(=O)C#CC(C)C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001732183005	1185726258	/nfs/dbraw/zinc/72/62/58/1185726258.db2.gz	HKJRMWIVZZLOSM-GFCCVEGCSA-N	-1	0	305.382	0.593	20	30		DCEDRM
N#CCNC[C@H]1CCC[C@@H]1NC(=O)c1c[n-]n2c1nccc2=O	ZINC001732622081	1185876497	/nfs/dbraw/zinc/87/64/97/1185876497.db2.gz	HCDHMGPOHLDMFB-PWSUYJOCSA-N	-1	0	314.349	0.034	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001733930840	1186501332	/nfs/dbraw/zinc/50/13/32/1186501332.db2.gz	RSMOWDLHUCGMPU-LBPRGKRZSA-N	-1	0	305.382	0.593	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C#CC3CC3)[C@@H]2C)c1[O-]	ZINC001735302882	1186859632	/nfs/dbraw/zinc/85/96/32/1186859632.db2.gz	QCVWORAFYUABHK-JQWIXIFHSA-N	-1	0	316.361	0.556	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N[C@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001737655209	1187381517	/nfs/dbraw/zinc/38/15/17/1187381517.db2.gz	GECCQNFONVBUSX-KOLCDFICSA-N	-1	0	324.381	0.639	20	30		DCEDRM
C=CC(C)(C)CC(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001737755525	1187400480	/nfs/dbraw/zinc/40/04/80/1187400480.db2.gz	BDESJPJISRQRFD-UHFFFAOYSA-N	-1	0	323.353	0.073	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001740443465	1187901769	/nfs/dbraw/zinc/90/17/69/1187901769.db2.gz	AMZCZQOITAZASO-HNNXBMFYSA-N	-1	0	322.365	0.035	20	30		DCEDRM
C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001753305992	1188561330	/nfs/dbraw/zinc/56/13/30/1188561330.db2.gz	XUJJQAWBEYBLDP-BETUJISGSA-N	-1	0	317.393	0.879	20	30		DCEDRM
C[C@@H](CNCC#N)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001753644927	1188629748	/nfs/dbraw/zinc/62/97/48/1188629748.db2.gz	PFLKQWVNNDVWCX-QMMMGPOBSA-N	-1	0	308.304	0.309	20	30		DCEDRM
C#CCN(C(=O)[C@@H](F)CC)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001754639363	1188895396	/nfs/dbraw/zinc/89/53/96/1188895396.db2.gz	FNMHIEQYUMWOHE-LBPRGKRZSA-N	-1	0	323.372	0.685	20	30		DCEDRM
C[C@H]1[C@@H](NC(=O)C#CC2CC2)CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001755716539	1189192286	/nfs/dbraw/zinc/19/22/86/1189192286.db2.gz	ATGVBNCPGZHGQD-JQWIXIFHSA-N	-1	0	303.366	0.393	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001756543415	1189389276	/nfs/dbraw/zinc/38/92/76/1189389276.db2.gz	PMHOVNOVGDPSSX-WDEREUQCSA-N	-1	0	324.381	0.233	20	30		DCEDRM
CCN(CCCNC(=O)[C@@H](C)C#N)C(=O)c1n[nH]c(C)c1[O-]	ZINC001758521526	1189915339	/nfs/dbraw/zinc/91/53/39/1189915339.db2.gz	KYVNLQHMSCHAIG-VIFPVBQESA-N	-1	0	307.354	0.552	20	30		DCEDRM
CC(C)CCN(CCC#N)c1nnc(-c2cc(=O)[nH][n-]2)n1C	ZINC001772161651	1190439997	/nfs/dbraw/zinc/43/99/97/1190439997.db2.gz	GALINCQTGXBFFB-UHFFFAOYSA-N	-1	0	303.370	0.805	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2Cc3cncn3C2)cc1C#N	ZINC001771813776	1190509676	/nfs/dbraw/zinc/50/96/76/1190509676.db2.gz	XVCUBKOMMQOCEM-SECBINFHSA-N	-1	0	315.358	0.932	20	30		DCEDRM
C#CCCN1CC(N(C)C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC001043243451	752150232	/nfs/dbraw/zinc/15/02/32/752150232.db2.gz	LEHQFYSQDJECDO-UHFFFAOYSA-N	-1	0	318.421	0.541	20	30		DCEDRM
CN(CCN(C)c1ccc(C#N)nn1)C(=O)c1ncccc1O	ZINC001105376503	748696075	/nfs/dbraw/zinc/69/60/75/748696075.db2.gz	VUFHDMBNHGVYHN-UHFFFAOYSA-N	-1	0	312.333	0.657	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N(CCOC)CCC(=O)[O-])C1	ZINC000904944304	750431756	/nfs/dbraw/zinc/43/17/56/750431756.db2.gz	WKTUQFUTOOSJHU-GFCCVEGCSA-N	-1	0	312.366	0.361	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001060289619	750473516	/nfs/dbraw/zinc/47/35/16/750473516.db2.gz	QFHDNBWGKGUSSM-GXSJLCMTSA-N	-1	0	319.365	0.552	20	30		DCEDRM
C#CCC1(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCC1	ZINC001112953060	762043349	/nfs/dbraw/zinc/04/33/49/762043349.db2.gz	CIAVMKAEFCZGFD-UHFFFAOYSA-N	-1	0	303.366	0.348	20	30		DCEDRM
C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001046224643	753570129	/nfs/dbraw/zinc/57/01/29/753570129.db2.gz	TXJDJMXUYSWQIJ-CQSZACIVSA-N	-1	0	315.337	0.104	20	30		DCEDRM
C=CCN1C[C@@H](NC(=O)c2n[n-]c3ccccc3c2=O)[C@@H](O)C1	ZINC001083824846	753892081	/nfs/dbraw/zinc/89/20/81/753892081.db2.gz	RNPGVSHSCWBGMU-OLZOCXBDSA-N	-1	0	314.345	0.296	20	30		DCEDRM
C#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001071999395	762286500	/nfs/dbraw/zinc/28/65/00/762286500.db2.gz	NPZLYVZFEOHTEI-CMPLNLGQSA-N	-1	0	318.377	0.804	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2(CNC(=O)C#CC(C)C)CCC2)c1[O-]	ZINC001062958060	755061742	/nfs/dbraw/zinc/06/17/42/755061742.db2.gz	ADSYMBCHGLNFFB-UHFFFAOYSA-N	-1	0	318.377	0.852	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)Nc2cc(C)ncc2C#N)c1[O-]	ZINC001097803503	755749597	/nfs/dbraw/zinc/74/95/97/755749597.db2.gz	HTKHSWJBJOETGH-VIFPVBQESA-N	-1	0	314.349	0.651	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCN(C)C(=O)OCC	ZINC001119430584	757896421	/nfs/dbraw/zinc/89/64/21/757896421.db2.gz	WUWYAAYADCUUAZ-UHFFFAOYSA-N	-1	0	304.368	0.324	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3ccc(C#N)cn3)C2)c1[O-]	ZINC001058328207	759894489	/nfs/dbraw/zinc/89/44/89/759894489.db2.gz	MNQFQKHDWZNLLP-LLVKDONJSA-N	-1	0	312.333	0.699	20	30		DCEDRM
C=CCN(CCOC)c1nnc(-c2cc(=O)[nH][n-]2)n1CC1CC1	ZINC001123590049	768003954	/nfs/dbraw/zinc/00/39/54/768003954.db2.gz	SUJDVHCJCMDIED-UHFFFAOYSA-N	-1	0	318.381	0.551	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nccc(N)c1[N+](=O)[O-]	ZINC001169970471	761134631	/nfs/dbraw/zinc/13/46/31/761134631.db2.gz	GCSPHDJVVIZTQL-UHFFFAOYSA-N	-1	0	303.238	0.998	20	30		DCEDRM
N#C[C@@H](CO)NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-]	ZINC001157964647	763324731	/nfs/dbraw/zinc/32/47/31/763324731.db2.gz	XBCGIAPMPQJPCQ-QMMMGPOBSA-N	-1	0	308.244	0.470	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CC12CCS(=O)(=O)CC2	ZINC001116906551	765926005	/nfs/dbraw/zinc/92/60/05/765926005.db2.gz	MOSOIQKBCBPCRG-JTQLQIEISA-N	-1	0	301.364	0.301	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC001118482062	766328653	/nfs/dbraw/zinc/32/86/53/766328653.db2.gz	HBWMJDVTYHRVSF-NSHDSACASA-N	-1	0	310.350	0.161	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1Cc2ccc(O)cc2C1	ZINC001121663694	767616028	/nfs/dbraw/zinc/61/60/28/767616028.db2.gz	XZXLEQUGWVYJSJ-UHFFFAOYSA-N	-1	0	324.344	0.914	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)c1nc[n-]c(=O)c1Br	ZINC001149978671	768919759	/nfs/dbraw/zinc/91/97/59/768919759.db2.gz	CPANZTCDALKSDG-SSDOTTSWSA-N	-1	0	314.139	0.713	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCNc2ccc(C#N)nn2)c1[O-]	ZINC001094391334	769026823	/nfs/dbraw/zinc/02/68/23/769026823.db2.gz	YWFIIASSSTZIDS-UHFFFAOYSA-N	-1	0	301.310	0.317	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C#N)n(C)n1	ZINC001231356659	769233041	/nfs/dbraw/zinc/23/30/41/769233041.db2.gz	RXSFSVDGIIYWOM-JTQLQIEISA-N	-1	0	301.324	0.130	20	30		DCEDRM
CNC(=O)c1cnc2n1CCN(Cc1cc(C#N)ccc1[O-])C2	ZINC001232676972	769330217	/nfs/dbraw/zinc/33/02/17/769330217.db2.gz	GSYLDVBHGLTCBZ-UHFFFAOYSA-N	-1	0	311.345	0.836	20	30		DCEDRM
C#CCCCCC(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001233763291	769445843	/nfs/dbraw/zinc/44/58/43/769445843.db2.gz	ZFFQRVOECCZGRV-LBPRGKRZSA-N	-1	0	305.382	0.737	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)c2nc3ncc(CCO)cn3n2)c1	ZINC001153000695	769691046	/nfs/dbraw/zinc/69/10/46/769691046.db2.gz	XEUWPACNMCOCLV-UHFFFAOYSA-N	-1	0	324.300	0.489	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C(=O)OCC	ZINC001153516062	769837712	/nfs/dbraw/zinc/83/77/12/769837712.db2.gz	BEHNIPHOXQECAZ-QMMMGPOBSA-N	-1	0	314.367	0.617	20	30		DCEDRM
N#Cc1c(N)nc(=NC2CC2)n(-c2cncc(C(=O)[O-])c2)c1N	ZINC001175836570	769969560	/nfs/dbraw/zinc/96/95/60/769969560.db2.gz	BVNQWGGJYOFFCY-UHFFFAOYSA-N	-1	0	311.305	0.065	20	30		DCEDRM
COC(=O)c1scc(C#N)c1NC(=O)Cn1nn[n-]c1=S	ZINC001177735401	770538815	/nfs/dbraw/zinc/53/88/15/770538815.db2.gz	HAXHVSRQHOVNBH-UHFFFAOYSA-N	-1	0	324.347	0.320	20	30		DCEDRM
CCc1nc(C#N)c(C#N)nc1NCC[N-]C(=O)C(F)(F)F	ZINC001156205182	770749142	/nfs/dbraw/zinc/74/91/42/770749142.db2.gz	NUNCRZUQZSKZHQ-UHFFFAOYSA-N	-1	0	312.255	0.873	20	30		DCEDRM
COc1cc(C(F)(F)N[C@@H]2CO[N-]C2=O)c(C#N)c(Cl)n1	ZINC001156694703	770898862	/nfs/dbraw/zinc/89/88/62/770898862.db2.gz	HYGRQEDYNIMWBH-SSDOTTSWSA-N	-1	0	318.667	0.684	20	30		DCEDRM
N#C[C@@H](Cc1ccc(O)cc1)C(=O)n1[n-]c2ccnc(=O)c-2c1N	ZINC001183617153	771677629	/nfs/dbraw/zinc/67/76/29/771677629.db2.gz	MMGXGXHOJJHLCD-SNVBAGLBSA-N	-1	0	323.312	0.987	20	30		DCEDRM
C[C@H]1[C@H](NC(=O)Nc2ccc(C#N)cc2)C(=O)N1S(=O)(=O)[O-]	ZINC001184764518	771824562	/nfs/dbraw/zinc/82/45/62/771824562.db2.gz	KGAAWZNHBQNZOA-XVKPBYJWSA-N	-1	0	324.318	0.082	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1ccnc(N)n1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001159650780	771939585	/nfs/dbraw/zinc/93/95/85/771939585.db2.gz	VMVJJHMROVYNPP-AMIZOPFISA-N	-1	0	323.378	0.024	20	30		DCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc(NC2(C#N)CCOCC2)nc1	ZINC001161479726	772230770	/nfs/dbraw/zinc/23/07/70/772230770.db2.gz	TZZLDNQABWZHJJ-UHFFFAOYSA-N	-1	0	324.362	0.391	20	30		DCEDRM
N#Cc1c(Cl)nc(Cl)nc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001163659592	772554443	/nfs/dbraw/zinc/55/44/43/772554443.db2.gz	JYHHFLSFNSZOEU-ZCFIWIBFSA-N	-1	0	304.118	0.798	20	30		DCEDRM
COc1nc(S(=O)(=O)[N-]c2cn(C)nc2C#N)ccc1F	ZINC001190067210	772575671	/nfs/dbraw/zinc/57/56/71/772575671.db2.gz	XWRLKFDVEPDXTH-UHFFFAOYSA-N	-1	0	311.298	0.635	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccnc2C(N)=O)c1	ZINC001190616951	772646311	/nfs/dbraw/zinc/64/63/11/772646311.db2.gz	BORQMHYJVTUQTC-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
C#Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)ccn1	ZINC001191572401	772792177	/nfs/dbraw/zinc/79/21/77/772792177.db2.gz	WSXVDOWAFKPAIG-UHFFFAOYSA-N	-1	0	315.354	0.645	20	30		DCEDRM
COC(=O)c1ccc([O-])c(C(=O)N(O)C(=N)c2nonc2N)c1	ZINC001192380191	772912705	/nfs/dbraw/zinc/91/27/05/772912705.db2.gz	IWPZCURLQVULRM-UHFFFAOYSA-N	-1	0	321.249	0.001	20	30		DCEDRM
CCOC(=O)[C@@H]1CN(C(=O)c2cccc(C#N)c2[O-])CCO1	ZINC001193644053	773094161	/nfs/dbraw/zinc/09/41/61/773094161.db2.gz	NITLJESHSNGRLA-LBPRGKRZSA-N	-1	0	304.302	0.668	20	30		DCEDRM
COC(=O)CN1CCN(C(=O)c2cccc(C#N)c2[O-])CC1	ZINC001193644002	773094183	/nfs/dbraw/zinc/09/41/83/773094183.db2.gz	KTUKRBOQRNEMCH-UHFFFAOYSA-N	-1	0	303.318	0.195	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(=O)N1CCCC1	ZINC001210484382	773712774	/nfs/dbraw/zinc/71/27/74/773712774.db2.gz	IMAXIEPCNMDRLH-NSHDSACASA-N	-1	0	307.368	0.084	20	30		DCEDRM
N#Cc1ccc(C(=O)NC(=N)SCCS(=O)(=O)[O-])[nH]1	ZINC001199683276	774176194	/nfs/dbraw/zinc/17/61/94/774176194.db2.gz	WKWDPGCHBLYDAC-UHFFFAOYSA-N	-1	0	302.337	0.172	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCN(C)c2ccc(C#N)nc2)c1[O-]	ZINC001095513889	775195811	/nfs/dbraw/zinc/19/58/11/775195811.db2.gz	RJKOFSBYQZCIHD-UHFFFAOYSA-N	-1	0	314.349	0.947	20	30		DCEDRM
C#CCCCC(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001222993900	775449673	/nfs/dbraw/zinc/44/96/73/775449673.db2.gz	MIDGASLCACLZNS-UHFFFAOYSA-N	-1	0	305.382	0.642	20	30		DCEDRM
COC(=O)c1ccc(C#N)cc1COC(=O)[C@@H](O)CC(=O)[O-]	ZINC001223766494	775515451	/nfs/dbraw/zinc/51/54/51/775515451.db2.gz	GARUMVBYCHLJGK-NSHDSACASA-N	-1	0	307.258	0.224	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@@H](C)COC(C)=O	ZINC001224793613	775607534	/nfs/dbraw/zinc/60/75/34/775607534.db2.gz	YZPVRDVFQGQUQW-CMPLNLGQSA-N	-1	0	310.368	0.661	20	30		DCEDRM
N#Cc1c(OC2CS(=O)(=O)C2)[n-]c(=O)cc1C(F)(F)F	ZINC001226069014	775762390	/nfs/dbraw/zinc/76/23/90/775762390.db2.gz	YBAWCIFZTMLCAI-UHFFFAOYSA-N	-1	0	308.237	0.853	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncnc2cc[nH]c21	ZINC001226406770	775812477	/nfs/dbraw/zinc/81/24/77/775812477.db2.gz	WNNVVDLENVEABN-VIFPVBQESA-N	-1	0	313.335	0.796	20	30		DCEDRM
C#C[C@H](Oc1ccc(-n2nn[n-]c2=S)cc1)C(=O)OCC	ZINC001228437822	776082767	/nfs/dbraw/zinc/08/27/67/776082767.db2.gz	IZLKIKMNUVFWSP-NSHDSACASA-N	-1	0	304.331	0.895	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2ncnc(=O)[n-]2)C1	ZINC001229605282	776204862	/nfs/dbraw/zinc/20/48/62/776204862.db2.gz	BTCSXELJXPDHRT-IUCAKERBSA-N	-1	0	307.310	0.715	20	30		DCEDRM
CC1=CC(=O)c2c(OC(=O)[C@H](O)CC(=O)[O-])cccc2C1=O	ZINC001229912982	776236388	/nfs/dbraw/zinc/23/63/88/776236388.db2.gz	AXKYBPDRBKNHEM-SNVBAGLBSA-N	-1	0	304.254	0.753	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncncc1CC	ZINC001230033119	776245292	/nfs/dbraw/zinc/24/52/92/776245292.db2.gz	QVDXOQLADHTNSC-NSHDSACASA-N	-1	0	302.352	0.877	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc(C(=O)OC)c1)C(=O)[O-]	ZINC001588861615	1166610160	/nfs/dbraw/zinc/61/01/60/1166610160.db2.gz	IQTQHQXIKCIGHK-LBPRGKRZSA-N	-1	0	307.302	0.859	20	30		DCEDRM
CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])[C@H](C)O	ZINC001595311565	1167970386	/nfs/dbraw/zinc/97/03/86/1167970386.db2.gz	QLOCIMUXLPQRFC-KWQFWETISA-N	-1	0	312.347	0.694	20	30		DCEDRM
Cc1ccn(CN2CCSC[C@@H](C(=O)[O-])C2)c(=O)c1C#N	ZINC001600598899	1168207606	/nfs/dbraw/zinc/20/76/06/1168207606.db2.gz	RYWIYTHJTWGZNE-NSHDSACASA-N	-1	0	307.375	0.736	20	30		DCEDRM
Cc1[nH]nc(S(=O)(=O)N2CCC(CC#N)CC2)c1C(=O)[O-]	ZINC001600670144	1168241457	/nfs/dbraw/zinc/24/14/57/1168241457.db2.gz	NRDCYTPZLKBUBS-UHFFFAOYSA-N	-1	0	312.351	0.731	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001601063417	1168579613	/nfs/dbraw/zinc/57/96/13/1168579613.db2.gz	RIFLRSODSNJWQG-SECBINFHSA-N	-1	0	314.294	0.437	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)CC[C@H]1CC1(Cl)Cl)C(=O)[O-]	ZINC001588423301	983451864	/nfs/dbraw/zinc/45/18/64/983451864.db2.gz	CLEYYULTLKGIRP-YUMQZZPRSA-N	-1	0	314.190	0.966	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCC(=O)c1cnn(C)c1)C(=O)[O-]	ZINC001602909623	1169203335	/nfs/dbraw/zinc/20/33/35/1169203335.db2.gz	AOEJQOAYUUJJAU-NSHDSACASA-N	-1	0	309.322	0.155	20	30		DCEDRM
Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)c2ccccc2C#N)cn1	ZINC001317907680	945214624	/nfs/dbraw/zinc/21/46/24/945214624.db2.gz	WZYMWTOZTGCAHB-SREVYHEPSA-N	-1	0	316.342	0.810	20	30		DCEDRM
CCC#CC(=O)N1CCc2onc(C(=O)[N-]c3nnco3)c2C1	ZINC001268873497	940391954	/nfs/dbraw/zinc/39/19/54/940391954.db2.gz	WCSMLMWOIHYTSE-UHFFFAOYSA-N	-1	0	315.289	0.608	20	30		DCEDRM
C#CCNC(=O)[C@H]1CC12CCN(C(=O)c1ccncc1[O-])CC2	ZINC001271401731	941367111	/nfs/dbraw/zinc/36/71/11/941367111.db2.gz	FZZDOCUYKIPFIF-CYBMUJFWSA-N	-1	0	313.357	0.779	20	30		DCEDRM
C#CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cnc[nH]c1=O	ZINC001271630682	941413132	/nfs/dbraw/zinc/41/31/32/941413132.db2.gz	PPOAMHWCVDBYMQ-INIZCTEOSA-N	-1	0	314.345	0.413	20	30		DCEDRM
CN1C[C@]2(CCN(C(=O)c3ccc(C#N)cc3[O-])C2)OCC1=O	ZINC001271838096	941462499	/nfs/dbraw/zinc/46/24/99/941462499.db2.gz	IQIFRZLLXRAPCF-INIZCTEOSA-N	-1	0	315.329	0.337	20	30		DCEDRM
COc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1F	ZINC001412870153	942117471	/nfs/dbraw/zinc/11/74/71/942117471.db2.gz	QSPQUTJUMFFCSA-UHFFFAOYSA-N	-1	0	304.281	0.705	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc([S@](C)=O)cc2)c(C#N)c1=O	ZINC001412873374	942118854	/nfs/dbraw/zinc/11/88/54/942118854.db2.gz	XFBQXUNLNMTWKF-QFIPXVFZSA-N	-1	0	318.358	0.295	20	30		DCEDRM
C[C@@H]1CC[C@@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001412917802	942136422	/nfs/dbraw/zinc/13/64/22/942136422.db2.gz	QRNWKGXTEKEKKR-GHMZBOCLSA-N	-1	0	304.350	0.763	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCC1(C)OCCO1	ZINC001224885149	942437424	/nfs/dbraw/zinc/43/74/24/942437424.db2.gz	IDJSDGPVAIGHOC-NSHDSACASA-N	-1	0	310.368	0.615	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCO[C@@H]([C@@H](C)O)C2)cc1C#N	ZINC001413101760	942504880	/nfs/dbraw/zinc/50/48/80/942504880.db2.gz	IVTNGZJRFSZMOH-LDYMZIIASA-N	-1	0	323.374	0.603	20	30		DCEDRM
CCn1ccc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001413244324	942582273	/nfs/dbraw/zinc/58/22/73/942582273.db2.gz	LQCCBJPPDYKJQS-UHFFFAOYSA-N	-1	0	302.294	0.066	20	30		DCEDRM
Cc1cc(C)nc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001413311673	942622058	/nfs/dbraw/zinc/62/20/58/942622058.db2.gz	VKIWVBMMUZSRKI-UHFFFAOYSA-N	-1	0	313.317	0.262	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@@H]2CCN2CC#N)cc1=O	ZINC001483666849	942647467	/nfs/dbraw/zinc/64/74/67/942647467.db2.gz	VYCWPILVYPCBMM-ZDUSSCGKSA-N	-1	0	305.382	0.089	20	30		DCEDRM
C#CCNC(=O)[C@H]1CC12CCN(C(=O)c1cc(=O)[nH][n-]1)CC2	ZINC001272283101	942662375	/nfs/dbraw/zinc/66/23/75/942662375.db2.gz	OZXPYCNFCPKVFV-SNVBAGLBSA-N	-1	0	302.334	0.107	20	30		DCEDRM
Cc1cc(O)cc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001413380711	942938796	/nfs/dbraw/zinc/93/87/96/942938796.db2.gz	VORNDSMOYVDNHT-UHFFFAOYSA-N	-1	0	314.301	0.863	20	30		DCEDRM
COC(=O)C1(S(=O)(=O)[N-]c2cccc(CC#N)n2)CCC1	ZINC001413459040	942992570	/nfs/dbraw/zinc/99/25/70/942992570.db2.gz	NTIKWQZHLOEAIS-UHFFFAOYSA-N	-1	0	309.347	0.985	20	30		DCEDRM
C#CCN(C(=O)C1CCC1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001483978151	943066912	/nfs/dbraw/zinc/06/69/12/943066912.db2.gz	SSATWHCVRCUNEU-UHFFFAOYSA-N	-1	0	317.393	0.737	20	30		DCEDRM
CCC[C@H](CC)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413726670	943608365	/nfs/dbraw/zinc/60/83/65/943608365.db2.gz	ZOXDRBVVFARSCZ-NSHDSACASA-N	-1	0	307.354	0.698	20	30		DCEDRM
CCOC(=O)[C@@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CCO1	ZINC001413764450	943672210	/nfs/dbraw/zinc/67/22/10/943672210.db2.gz	IMYPPBZSYMOOQV-NSHDSACASA-N	-1	0	319.317	0.371	20	30		DCEDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC#Cc1ccc(F)cc1	ZINC001611401989	971031249	/nfs/dbraw/zinc/03/12/49/971031249.db2.gz	VOWIEAVIYYNDMI-ZDUSSCGKSA-N	-1	0	311.334	0.361	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC001116913439	944128677	/nfs/dbraw/zinc/12/86/77/944128677.db2.gz	XFMUROWNUXHOOB-ZDUSSCGKSA-N	-1	0	306.343	0.898	20	30		DCEDRM
CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)CSCC#N	ZINC001276554549	944210464	/nfs/dbraw/zinc/21/04/64/944210464.db2.gz	CBXJRBWOBKYSLQ-VIFPVBQESA-N	-1	0	324.410	0.094	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCc3n[nH]c(C(N)=O)c3C2)c([O-])c1	ZINC001276865408	944335196	/nfs/dbraw/zinc/33/51/96/944335196.db2.gz	ZPTCXBLMCXKZJI-UHFFFAOYSA-N	-1	0	311.301	0.284	20	30		DCEDRM
Cc1cc(C(=O)NCc2nc(=O)o[n-]2)nn1-c1cccc(C#N)c1	ZINC001319951913	945701454	/nfs/dbraw/zinc/70/14/54/945701454.db2.gz	IIKKVVBJZOCOPQ-UHFFFAOYSA-N	-1	0	324.300	0.659	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1	ZINC001321288617	946252140	/nfs/dbraw/zinc/25/21/40/946252140.db2.gz	FRIGFAYPVLWOGI-QOHONLRBSA-N	-1	0	321.381	0.254	20	30		DCEDRM
C#C[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C1CCOCC1	ZINC001602672760	971238485	/nfs/dbraw/zinc/23/84/85/971238485.db2.gz	QECBURFGZDTXGM-ZDUSSCGKSA-N	-1	0	318.329	0.091	20	30		DCEDRM
C#C[C@H](NC(=O)NCCOCCOCC(=O)[O-])C(C)(C)C	ZINC001602673655	971241599	/nfs/dbraw/zinc/24/15/99/971241599.db2.gz	ZEPASEIYPBTYMP-NSHDSACASA-N	-1	0	300.355	0.451	20	30		DCEDRM
C=CC[C@H](NC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)[O-]	ZINC001256550655	946642068	/nfs/dbraw/zinc/64/20/68/946642068.db2.gz	JPBOEIFBFNWIPV-JQWIXIFHSA-N	-1	0	304.302	0.922	20	30		DCEDRM
C#CCN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1	ZINC001573281757	946678892	/nfs/dbraw/zinc/67/88/92/946678892.db2.gz	BGSWFMBPHOXXMX-UHFFFAOYSA-N	-1	0	300.322	0.241	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(C#C)cc1Cl	ZINC001602679617	971261533	/nfs/dbraw/zinc/26/15/33/971261533.db2.gz	UGDRQGCLGZRWDF-UHFFFAOYSA-N	-1	0	318.716	0.806	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cnc(C(N)=O)cn2)cc1	ZINC001258039525	946792493	/nfs/dbraw/zinc/79/24/93/946792493.db2.gz	USPWRFZABUXOOU-UHFFFAOYSA-N	-1	0	303.303	0.248	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC001602683958	971276354	/nfs/dbraw/zinc/27/63/54/971276354.db2.gz	MVGYYAXDEMQGOE-NEPJUHHUSA-N	-1	0	311.407	0.296	20	30		DCEDRM
Cn1cnc2ncnc-2c1[N-]S(=O)(=O)c1ccccc1C#N	ZINC001258201425	946809887	/nfs/dbraw/zinc/80/98/87/946809887.db2.gz	AUVCJHTYEJSKBH-UHFFFAOYSA-N	-1	0	314.330	0.987	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1nccnc1C(N)=O	ZINC001258201876	946810063	/nfs/dbraw/zinc/81/00/63/946810063.db2.gz	OXZAWCINGIXBIN-UHFFFAOYSA-N	-1	0	303.303	0.248	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(-c2ncccn2)s1	ZINC001602692289	971301815	/nfs/dbraw/zinc/30/18/15/971301815.db2.gz	KBSUIPUQZGPGKM-UHFFFAOYSA-N	-1	0	302.315	0.760	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(OC)c(OC)cc1C#N	ZINC001259024164	946896982	/nfs/dbraw/zinc/89/69/82/946896982.db2.gz	DVEAPNRCJSKZQO-UHFFFAOYSA-N	-1	0	314.319	0.490	20	30		DCEDRM
COC(=O)c1nsnc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC001259118797	946916319	/nfs/dbraw/zinc/91/63/19/946916319.db2.gz	RGZCASACYLRLCO-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(CC(OCC)OCC)c1	ZINC001602692049	971300073	/nfs/dbraw/zinc/30/00/73/971300073.db2.gz	CJMKIWYLOYGFAW-UHFFFAOYSA-N	-1	0	323.349	0.442	20	30		DCEDRM
C=CCS(=O)(=O)[N-]c1nonc1-c1cn2ccncc2n1	ZINC001259922727	947020466	/nfs/dbraw/zinc/02/04/66/947020466.db2.gz	GMOHNZRXZPCITO-UHFFFAOYSA-N	-1	0	306.307	0.707	20	30		DCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)c1ccn(C)n1	ZINC001259938808	947030348	/nfs/dbraw/zinc/03/03/48/947030348.db2.gz	VJJQAFAHUOITSK-UHFFFAOYSA-N	-1	0	319.350	0.547	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cc(C)nn2C)n1CC	ZINC001602699694	971317902	/nfs/dbraw/zinc/31/79/02/971317902.db2.gz	ZJCVMKAMQKJGGD-UHFFFAOYSA-N	-1	0	302.338	0.531	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cnc(C#N)cn2)cc1	ZINC001260232953	947089055	/nfs/dbraw/zinc/08/90/55/947089055.db2.gz	ULPXKYOZONNKBW-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)[N-]c2cnn(C)c2C#N)c1	ZINC001260839973	947152690	/nfs/dbraw/zinc/15/26/90/947152690.db2.gz	JTFONRWDTUGWRY-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
CNC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260961487	947159852	/nfs/dbraw/zinc/15/98/52/947159852.db2.gz	BNDAVNRKWMDYPC-UHFFFAOYSA-N	-1	0	319.346	0.750	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)c1ccccc1	ZINC001324534227	947449386	/nfs/dbraw/zinc/44/93/86/947449386.db2.gz	XRVQNMWCBVVXDE-DZGCQCFKSA-N	-1	0	316.357	0.952	20	30		DCEDRM
C=CCN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)[C@H](C)COC	ZINC001602721986	971385072	/nfs/dbraw/zinc/38/50/72/971385072.db2.gz	MPSTZUDYQMUFPE-NEPJUHHUSA-N	-1	0	312.366	0.359	20	30		DCEDRM
CN(C)c1ncccc1/C=C\C(=O)c1cnc([O-])n(C)c1=O	ZINC001324708419	947509139	/nfs/dbraw/zinc/50/91/39/947509139.db2.gz	WJZLPPRDWAPKTP-SREVYHEPSA-N	-1	0	300.318	0.843	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])nn1	ZINC001602730804	971408990	/nfs/dbraw/zinc/40/89/90/971408990.db2.gz	CKBMQGBKQFMXSI-LLVKDONJSA-N	-1	0	301.306	0.285	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001602734898	971413802	/nfs/dbraw/zinc/41/38/02/971413802.db2.gz	BDNMEOOVXLSLFB-CYBMUJFWSA-N	-1	0	318.329	0.143	20	30		DCEDRM
CC#CCC[N@@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001602735084	971416024	/nfs/dbraw/zinc/41/60/24/971416024.db2.gz	NYCPROABMWWMRZ-VHSXEESVSA-N	-1	0	306.284	0.996	20	30		DCEDRM
C=CCN(Cc1cncc(C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC001262486482	947688296	/nfs/dbraw/zinc/68/82/96/947688296.db2.gz	UOCISMTXSVJMPA-CYBMUJFWSA-N	-1	0	310.375	0.955	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)C1	ZINC001326014393	948020768	/nfs/dbraw/zinc/02/07/68/948020768.db2.gz	VVCGHHWZPXBPKE-JTQLQIEISA-N	-1	0	301.320	0.943	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1	ZINC001326222852	948100627	/nfs/dbraw/zinc/10/06/27/948100627.db2.gz	SSGAUUSEUJZEAJ-UPJWGTAASA-N	-1	0	324.377	0.359	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)NCCC[C@@H](C)NC(=O)[C@H](C)C#N	ZINC001487539173	948110400	/nfs/dbraw/zinc/11/04/00/948110400.db2.gz	QOUDLXBWJNRJAF-NXEZZACHSA-N	-1	0	319.365	0.665	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)NCCC[C@@H](C)NC(=O)[C@@H](C)C#N	ZINC001487539175	948111017	/nfs/dbraw/zinc/11/10/17/948111017.db2.gz	QOUDLXBWJNRJAF-VHSXEESVSA-N	-1	0	319.365	0.665	20	30		DCEDRM
C=CC[C@H](NC(=O)Cn1nnnc1-c1ccsc1)C(=O)[O-]	ZINC001326420377	948157441	/nfs/dbraw/zinc/15/74/41/948157441.db2.gz	FFZYLFWEPIUUPF-VIFPVBQESA-N	-1	0	307.335	0.547	20	30		DCEDRM
CC(=O)c1cccc(C#N)c1O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001602773988	971507718	/nfs/dbraw/zinc/50/77/18/971507718.db2.gz	MPULBMSLTSVNQR-LBPRGKRZSA-N	-1	0	302.286	0.825	20	30		DCEDRM
CC(C)[C@@H](O)C1(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001574080649	948802129	/nfs/dbraw/zinc/80/21/29/948802129.db2.gz	UESNZTUYQRDYIN-GFCCVEGCSA-N	-1	0	314.353	0.737	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1CC	ZINC001264607212	949021145	/nfs/dbraw/zinc/02/11/45/949021145.db2.gz	ABAXTWZVIMDPCC-SDDRHHMPSA-N	-1	0	321.381	0.018	20	30		DCEDRM
C[C@@]1(Br)C[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC001329026011	949298852	/nfs/dbraw/zinc/29/88/52/949298852.db2.gz	CWZGITJKLWWRNY-IONNQARKSA-N	-1	0	321.196	0.910	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[C@H](CC)O2)n1	ZINC001489076454	949469765	/nfs/dbraw/zinc/46/97/65/949469765.db2.gz	LQUQHZQXTQUZQH-STQMWFEESA-N	-1	0	318.377	0.479	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2cnn(CC(F)(F)F)c2)c(C#N)c1=O	ZINC001364530878	949500412	/nfs/dbraw/zinc/50/04/12/949500412.db2.gz	GAMAVBWRKZVENI-UHFFFAOYSA-N	-1	0	314.227	0.448	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@](C)(O)c2ccsc2)c(C#N)c1=O	ZINC001364532818	949505476	/nfs/dbraw/zinc/50/54/76/949505476.db2.gz	MAFJSNIGJJYOPA-ZDUSSCGKSA-N	-1	0	306.347	0.326	20	30		DCEDRM
N#CCNC[C@H]1CCCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001265629673	949824620	/nfs/dbraw/zinc/82/46/20/949824620.db2.gz	DWCVWIBMFKPSIX-SNVBAGLBSA-N	-1	0	315.333	0.894	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001329933367	949990076	/nfs/dbraw/zinc/99/00/76/949990076.db2.gz	AJBMDQFAUDKWSW-YAWLZAOSSA-N	-1	0	323.349	0.376	20	30		DCEDRM
CCOC(=O)[C@H](COC)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC001364916460	950184970	/nfs/dbraw/zinc/18/49/70/950184970.db2.gz	MSDPFZNEPRQPMX-NSHDSACASA-N	-1	0	318.395	0.568	20	30		DCEDRM
N#CC1CCC(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CC1	ZINC001330242077	950220523	/nfs/dbraw/zinc/22/05/23/950220523.db2.gz	RNTHVHVFSARUOH-WXRRBKDZSA-N	-1	0	309.366	0.517	20	30		DCEDRM
COc1cc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)ccc1O	ZINC001365210642	950742825	/nfs/dbraw/zinc/74/28/25/950742825.db2.gz	YWIFNBJIAFGVNQ-UHFFFAOYSA-N	-1	0	302.290	0.272	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H]2CCc3cc(C#N)ccc32)c(C#N)c1=O	ZINC001365227883	950775430	/nfs/dbraw/zinc/77/54/30/950775430.db2.gz	VEVCDWCVELYJTB-ZDUSSCGKSA-N	-1	0	307.313	0.916	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CC[C@@](O)(C(F)F)C1)cc2=O	ZINC001365298946	950902850	/nfs/dbraw/zinc/90/28/50/950902850.db2.gz	WHPSMDFKYNPPCK-ZDUSSCGKSA-N	-1	0	309.276	0.508	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NC[C@@H]2CCCS2)c(=O)[n-]c1=O	ZINC001365353317	951012608	/nfs/dbraw/zinc/01/26/08/951012608.db2.gz	IFCGQXNBHQCFNN-JTQLQIEISA-N	-1	0	323.378	0.015	20	30		DCEDRM
Cc1ccccc1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365482226	951174950	/nfs/dbraw/zinc/17/49/50/951174950.db2.gz	SAWUGQPLYBWSKQ-UHFFFAOYSA-N	-1	0	313.317	0.951	20	30		DCEDRM
C=CC[C@H](NC(=O)NC[C@@H](C(C)C)N1CCOCC1)C(=O)[O-]	ZINC001332159340	951503898	/nfs/dbraw/zinc/50/38/98/951503898.db2.gz	IQJXOAHVVMXJJQ-STQMWFEESA-N	-1	0	313.398	0.672	20	30		DCEDRM
C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ncc[n-]1	ZINC001275462465	952165141	/nfs/dbraw/zinc/16/51/41/952165141.db2.gz	YOWAILCXKQBKRW-GHMZBOCLSA-N	-1	0	310.379	0.350	20	30		DCEDRM
CC[C@@H](C)[C@](C)(O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001411796922	952457777	/nfs/dbraw/zinc/45/77/77/952457777.db2.gz	USQSYGMGJBSRFS-MEBBXXQBSA-N	-1	0	322.365	0.124	20	30		DCEDRM
CC1(C)CCC(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001411822948	952467323	/nfs/dbraw/zinc/46/73/23/952467323.db2.gz	RZNMQLKLHZYQFP-UHFFFAOYSA-N	-1	0	304.350	0.906	20	30		DCEDRM
N#CC1(CC(=O)N2CCSC[C@H]2c2nnn[n-]2)CCOCC1	ZINC001412040267	952615202	/nfs/dbraw/zinc/61/52/02/952615202.db2.gz	FXILAVKGKMRLMH-JTQLQIEISA-N	-1	0	322.394	0.527	20	30		DCEDRM
N#CCC1CN(C(=O)[C@]23C[C@H]2CCN3C(=O)c2cc(=O)[nH][n-]2)C1	ZINC001276024994	952628850	/nfs/dbraw/zinc/62/88/50/952628850.db2.gz	IYFLCCQTQCIQFA-BMIGLBTASA-N	-1	0	315.333	0.092	20	30		DCEDRM
CCc1nnc(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)[nH]1	ZINC001412168771	952674253	/nfs/dbraw/zinc/67/42/53/952674253.db2.gz	DHYNZDMWJVRGRV-UHFFFAOYSA-N	-1	0	318.362	0.991	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCC2CC(F)(F)C2)c(=O)[n-]c1=O	ZINC001412206438	952695145	/nfs/dbraw/zinc/69/51/45/952695145.db2.gz	NBUMVVYZJQHXOH-UHFFFAOYSA-N	-1	0	312.276	0.372	20	30		DCEDRM
CO[C@@H](CNC(=O)c1[n-]c(=O)c(C#N)cc1C)[C@@H]1CCOC1	ZINC001412329578	952751689	/nfs/dbraw/zinc/75/16/89/952751689.db2.gz	VJYJBXFUIXGYCW-PWSUYJOCSA-N	-1	0	305.334	0.749	20	30		DCEDRM
Cc1cc(C)cc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001412367486	952766771	/nfs/dbraw/zinc/76/67/71/952766771.db2.gz	RVRREOTWSDXXCJ-UHFFFAOYSA-N	-1	0	312.329	0.754	20	30		DCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001337191087	952825125	/nfs/dbraw/zinc/82/51/25/952825125.db2.gz	NVMKWRGJNRGBJC-IAQYHMDHSA-N	-1	0	312.366	0.407	20	30		DCEDRM
CC(C)(C)C[C@@H](O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412580574	952911138	/nfs/dbraw/zinc/91/11/38/952911138.db2.gz	STJHWBRKCCDTRP-LLVKDONJSA-N	-1	0	322.365	0.124	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCc3nc(C(N)=O)ccc3C2)ccc1[O-]	ZINC001276155181	952951245	/nfs/dbraw/zinc/95/12/45/952951245.db2.gz	ARPRCUHPLAMFGW-UHFFFAOYSA-N	-1	0	322.324	0.956	20	30		DCEDRM
N#Cc1cn(CC(=O)NC/C=C/c2ccccc2)c(=O)[n-]c1=O	ZINC001412744981	953039592	/nfs/dbraw/zinc/03/95/92/953039592.db2.gz	PWVMTJDXKJFOCP-QPJJXVBHSA-N	-1	0	310.313	0.650	20	30		DCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N1CC[C@H](CF)C1	ZINC001340358102	953163662	/nfs/dbraw/zinc/16/36/62/953163662.db2.gz	CKZOCVAVIPEZOH-SNVBAGLBSA-N	-1	0	306.349	0.558	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@H](CO)[C@@H]1C	ZINC001340432493	953168784	/nfs/dbraw/zinc/16/87/84/953168784.db2.gz	ZBBFNXXUQWHACJ-WDEREUQCSA-N	-1	0	318.381	0.285	20	30		DCEDRM
C[C@@H](Sc1nncn1C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC001342557402	953294765	/nfs/dbraw/zinc/29/47/65/953294765.db2.gz	GIOSGBASWKVYOS-RKDXNWHRSA-N	-1	0	318.362	0.621	20	30		DCEDRM
CO[C@H]1CCn2cc(C([O-])=C(C#N)C(=O)NC(C)C)nc2C1	ZINC001343411225	953344415	/nfs/dbraw/zinc/34/44/15/953344415.db2.gz	LZEQPESEQFMQKS-WDEREUQCSA-N	-1	0	304.350	0.691	20	30		DCEDRM
Cc1cocc1C([O-])=C(C#N)C(=O)N1CCS(=O)(=O)CC1	ZINC001343410989	953344438	/nfs/dbraw/zinc/34/44/38/953344438.db2.gz	JZVBYYSYYLRPGX-SNVBAGLBSA-N	-1	0	310.331	0.168	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1nn(C)c2c1CCCC2	ZINC001343564598	953353559	/nfs/dbraw/zinc/35/35/59/953353559.db2.gz	YZYBULFTBCPVBN-LBPRGKRZSA-N	-1	0	318.377	0.774	20	30		DCEDRM
Cc1cnc(COCC(=O)C(C#N)=C([O-])c2nccn2C)o1	ZINC001344657325	953508671	/nfs/dbraw/zinc/50/86/71/953508671.db2.gz	PTRLFSJUIXQJSI-SNVBAGLBSA-N	-1	0	302.290	0.825	20	30		DCEDRM
C#CCN(CC#C)c1nnc(-c2cc(=O)n(C)[n-]2)n1CCOC	ZINC001345525966	953678877	/nfs/dbraw/zinc/67/88/77/953678877.db2.gz	PHAVSVUJDCNAHS-UHFFFAOYSA-N	-1	0	314.349	0.103	20	30		DCEDRM
C=CCCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O	ZINC001345760687	953719159	/nfs/dbraw/zinc/71/91/59/953719159.db2.gz	ILNSELCEQRRKLY-GHMZBOCLSA-N	-1	0	322.365	0.082	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCOCC(F)(F)F)c(C#N)c1=O	ZINC001347905924	954178745	/nfs/dbraw/zinc/17/87/45/954178745.db2.gz	LKYVNKXGSOCUOW-UHFFFAOYSA-N	-1	0	306.244	0.326	20	30		DCEDRM
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001593756964	954461511	/nfs/dbraw/zinc/46/15/11/954461511.db2.gz	MRCNFAMVNCCLKR-AOOOYVTPSA-N	-1	0	321.358	0.558	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001284239858	954955369	/nfs/dbraw/zinc/95/53/69/954955369.db2.gz	RFRLJTXGKGGMHP-MRVPVSSYSA-N	-1	0	323.353	0.120	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(C(=O)[C@H](C)CC#N)C[C@H]2C(=O)[O-]	ZINC001593821472	955041965	/nfs/dbraw/zinc/04/19/65/955041965.db2.gz	RXLABXVMQLVEPM-VQEBWTGLSA-N	-1	0	308.334	0.649	20	30		DCEDRM
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NCC#CCO	ZINC001350913942	955218130	/nfs/dbraw/zinc/21/81/30/955218130.db2.gz	KUNLMRIRSOYUGS-UHFFFAOYSA-N	-1	0	306.347	0.534	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@@](C)(CC)C1	ZINC001351851295	955430576	/nfs/dbraw/zinc/43/05/76/955430576.db2.gz	HSWGQOZEIPUWNT-HNNXBMFYSA-N	-1	0	318.381	0.693	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)c1ccccc1OCC#N)C(=O)[O-]	ZINC001593848914	955441710	/nfs/dbraw/zinc/44/17/10/955441710.db2.gz	XTCNJPGQCVQQLU-NSHDSACASA-N	-1	0	320.301	0.725	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001285428273	955645951	/nfs/dbraw/zinc/64/59/51/955645951.db2.gz	FEPRWVNPZDDXQP-MNOVXSKESA-N	-1	0	324.381	0.233	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001285428275	955646805	/nfs/dbraw/zinc/64/68/05/955646805.db2.gz	FEPRWVNPZDDXQP-QWRGUYRKSA-N	-1	0	324.381	0.233	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1	ZINC001593906075	955915813	/nfs/dbraw/zinc/91/58/13/955915813.db2.gz	OKXNOCLFRBRMFP-QWHCGFSZSA-N	-1	0	304.302	0.558	20	30		DCEDRM
C#CCCCCC(=O)N1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001285849444	956008291	/nfs/dbraw/zinc/00/82/91/956008291.db2.gz	WYQHLFPNMSRQAD-LBPRGKRZSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001285851787	956013012	/nfs/dbraw/zinc/01/30/12/956013012.db2.gz	PIYJGDCUDMBPAK-ZUZCIYMTSA-N	-1	0	322.365	0.082	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1	ZINC001593915547	956016905	/nfs/dbraw/zinc/01/69/05/956016905.db2.gz	OYNLGHYQJHIIBD-LLVKDONJSA-N	-1	0	315.289	0.236	20	30		DCEDRM
N#C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)C1	ZINC001594606011	956176007	/nfs/dbraw/zinc/17/60/07/956176007.db2.gz	OQSGKYUSBFONLG-LBPRGKRZSA-N	-1	0	315.329	0.763	20	30		DCEDRM
CC(C)[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1cnn(C)c1	ZINC001413922623	956198704	/nfs/dbraw/zinc/19/87/04/956198704.db2.gz	BPFLOQANCPDVJL-LLVKDONJSA-N	-1	0	302.338	0.488	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001594611970	956222667	/nfs/dbraw/zinc/22/26/67/956222667.db2.gz	PXOKQMWPWZPMRR-LLVKDONJSA-N	-1	0	306.249	0.540	20	30		DCEDRM
N#Cc1ccc(Cn2cc(CN3CCC[C@H]3C(=O)[O-])nn2)o1	ZINC001594619596	956269934	/nfs/dbraw/zinc/26/99/34/956269934.db2.gz	JVGCGSFESLETOI-ZDUSSCGKSA-N	-1	0	301.306	0.840	20	30		DCEDRM
N#Cc1cn([C@H]2CCN(CC(=O)[O-])C2=O)c(=O)c2sccc21	ZINC001594631313	956340255	/nfs/dbraw/zinc/34/02/55/956340255.db2.gz	AGDMVTMODWONDC-JTQLQIEISA-N	-1	0	317.326	0.793	20	30		DCEDRM
C=CCCOCC(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001354343990	956357566	/nfs/dbraw/zinc/35/75/66/956357566.db2.gz	HPEUFFJMDQQRET-SECBINFHSA-N	-1	0	310.354	0.251	20	30		DCEDRM
N#Cc1csc(CNC(=O)NCC2(C(=O)[O-])CCOCC2)n1	ZINC001594634419	956362268	/nfs/dbraw/zinc/36/22/68/956362268.db2.gz	KAVDTVAVUHVTAX-UHFFFAOYSA-N	-1	0	324.362	0.695	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)c2ccc(C(=O)[O-])cn2)c1N	ZINC001594634820	956364013	/nfs/dbraw/zinc/36/40/13/956364013.db2.gz	PYIXGSYRXMHOBZ-UHFFFAOYSA-N	-1	0	301.262	0.287	20	30		DCEDRM
COCC#CCN1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001593950544	956376969	/nfs/dbraw/zinc/37/69/69/956376969.db2.gz	BQULYWPPMPGJET-UWVGGRQHSA-N	-1	0	322.283	0.232	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001287593511	956403032	/nfs/dbraw/zinc/40/30/32/956403032.db2.gz	GQTKXRSFNMWUSV-GXSJLCMTSA-N	-1	0	324.381	0.592	20	30		DCEDRM
C=CCOCC(=O)N1CCC([C@H](C)NC(=O)c2cn[nH]n2)CC1	ZINC001288277989	956613690	/nfs/dbraw/zinc/61/36/90/956613690.db2.gz	QENSGDSQPNEPBW-NSHDSACASA-N	-1	0	321.381	0.364	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCCNc2ccccn2)c(C#N)c1=O	ZINC001306952721	956898956	/nfs/dbraw/zinc/89/89/56/956898956.db2.gz	NOWZUIFSYOKWBB-UHFFFAOYSA-N	-1	0	314.349	0.644	20	30		DCEDRM
C=C(C)Cn1c(-c2noc(=O)[nH]2)nnc1N1CC[NH+](CC)CC1	ZINC001357207055	957232468	/nfs/dbraw/zinc/23/24/68/957232468.db2.gz	MGALISSNAHNMCX-UHFFFAOYSA-N	-1	0	319.369	0.339	20	30		DCEDRM
C[C@H](Sc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC(C)(C)C	ZINC001413885708	957689265	/nfs/dbraw/zinc/68/92/65/957689265.db2.gz	JNAKJUXUSSSILO-ZETCQYMHSA-N	-1	0	311.363	0.768	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCN(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001295709112	957797335	/nfs/dbraw/zinc/79/73/35/957797335.db2.gz	UVGXKBMGULFDGY-LBPRGKRZSA-N	-1	0	318.377	0.661	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC001588388808	958001312	/nfs/dbraw/zinc/00/13/12/958001312.db2.gz	HAXMZYNIHSWEJN-CJNGLKHVSA-N	-1	0	304.346	0.712	20	30		DCEDRM
COC(COCCNC(=O)c1[n-]c(=O)c(C#N)cc1C)OC	ZINC001296539398	958010426	/nfs/dbraw/zinc/01/04/26/958010426.db2.gz	WLQCZBGJZOZCSP-UHFFFAOYSA-N	-1	0	309.322	0.333	20	30		DCEDRM
C#CCN(CC#CC)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588395727	958043205	/nfs/dbraw/zinc/04/32/05/958043205.db2.gz	QFDGPAYHVBXOOO-CYBMUJFWSA-N	-1	0	319.361	0.120	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC001588397427	958057938	/nfs/dbraw/zinc/05/79/38/958057938.db2.gz	HZBPHSFOXGYUHT-UHFFFAOYSA-N	-1	0	315.285	0.074	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@]1(C(=O)OC)C[C@@H]1c1ccccc1	ZINC001588397553	958059433	/nfs/dbraw/zinc/05/94/33/958059433.db2.gz	LXAKJZXOXZZVJA-CXAGYDPISA-N	-1	0	315.325	0.880	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCCN(C)C(=O)c1ccncc1	ZINC001588401767	958083998	/nfs/dbraw/zinc/08/39/98/958083998.db2.gz	CAGUUADXUUSSCS-UHFFFAOYSA-N	-1	0	317.345	0.480	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1	ZINC001588400503	958084130	/nfs/dbraw/zinc/08/41/30/958084130.db2.gz	ZPDBZMRTDYXMKH-QWHCGFSZSA-N	-1	0	308.378	0.818	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C	ZINC001588407655	958101137	/nfs/dbraw/zinc/10/11/37/958101137.db2.gz	SYIZNOSGMBVJIN-JTQLQIEISA-N	-1	0	306.366	0.697	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@@H](c2ccnn2C)C1	ZINC001588410019	958133934	/nfs/dbraw/zinc/13/39/34/958133934.db2.gz	NPPZIQHYZZQOSW-WCQYABFASA-N	-1	0	320.349	0.370	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nccnc1NC(=O)C(C)(C)C	ZINC001588418397	958177316	/nfs/dbraw/zinc/17/73/16/958177316.db2.gz	DOUOTTJUKMCNJR-UHFFFAOYSA-N	-1	0	318.333	0.621	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2nnc(C(F)F)n2c1	ZINC001588419108	958191646	/nfs/dbraw/zinc/19/16/46/958191646.db2.gz	QXYHTYGMEUCSFT-UHFFFAOYSA-N	-1	0	308.244	0.827	20	30		DCEDRM
CNC(=O)C[C@@H](C)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001361664265	958191981	/nfs/dbraw/zinc/19/19/81/958191981.db2.gz	GTVSKKCITWLZHO-SSDOTTSWSA-N	-1	0	308.363	0.635	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cc1	ZINC001588432755	958288415	/nfs/dbraw/zinc/28/84/15/958288415.db2.gz	BWUBNAQSBUYYBF-AWEZNQCLSA-N	-1	0	314.341	0.863	20	30		DCEDRM
COc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c(OC)n1	ZINC001594093973	958383379	/nfs/dbraw/zinc/38/33/79/958383379.db2.gz	FADGLCSSHLAONC-AWEZNQCLSA-N	-1	0	307.306	0.720	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N(C)C[C@@H](C)C#N)cc2=O)n1	ZINC001361845918	958399845	/nfs/dbraw/zinc/39/98/45/958399845.db2.gz	ZXTOGTHOPDZLJF-VIFPVBQESA-N	-1	0	314.349	0.804	20	30		DCEDRM
C=C[C@H](O)C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001588451778	958413797	/nfs/dbraw/zinc/41/37/97/958413797.db2.gz	ARBZPFHUNPUFOZ-FRRDWIJNSA-N	-1	0	318.329	0.076	20	30		DCEDRM
COc1ccc(NC(=O)[C@@H](C#N)C(=O)COCC(=O)[O-])cc1	ZINC001594101522	958438503	/nfs/dbraw/zinc/43/85/03/958438503.db2.gz	DXEGALHUVQJHDR-NSHDSACASA-N	-1	0	306.274	0.444	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(OCCOC)cc1	ZINC001573318274	958462467	/nfs/dbraw/zinc/46/24/67/958462467.db2.gz	UHUWAMPOGIWJBE-UHFFFAOYSA-N	-1	0	320.345	0.941	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588460143	958473426	/nfs/dbraw/zinc/47/34/26/958473426.db2.gz	WREDZUSYXFCMOA-NSHDSACASA-N	-1	0	318.395	0.338	20	30		DCEDRM
CCc1cc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)on1	ZINC001361919293	958488159	/nfs/dbraw/zinc/48/81/59/958488159.db2.gz	WKFCAKLONHRROF-UHFFFAOYSA-N	-1	0	317.305	0.077	20	30		DCEDRM
C=CCOC(=O)N1CCC(OC(=O)[C@@](C)(OC)C(=O)[O-])CC1	ZINC001588465302	958499330	/nfs/dbraw/zinc/49/93/30/958499330.db2.gz	ZRKNNHABUXYHSC-AWEZNQCLSA-N	-1	0	315.322	0.806	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN[C@@](C)(C(=O)[O-])c1ccccc1	ZINC001588465512	958505638	/nfs/dbraw/zinc/50/56/38/958505638.db2.gz	PCQVCLRSEWHOSH-OAHLLOKOSA-N	-1	0	305.334	0.588	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC001588469429	958517238	/nfs/dbraw/zinc/51/72/38/958517238.db2.gz	HDUXRAVWUUJERG-NSHDSACASA-N	-1	0	303.380	0.594	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c(=O)[n-]c1=O	ZINC001361978453	958566318	/nfs/dbraw/zinc/56/63/18/958566318.db2.gz	HZLCCOXTBYYVDB-GXTWGEPZSA-N	-1	0	324.340	0.568	20	30		DCEDRM
Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)c(C#N)c1	ZINC001594377144	958600842	/nfs/dbraw/zinc/60/08/42/958600842.db2.gz	HBHGBMJSOIULFD-UHFFFAOYSA-N	-1	0	324.358	0.779	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)c3c[n-]ncc3=O)CC2)c1	ZINC001362039687	958641406	/nfs/dbraw/zinc/64/14/06/958641406.db2.gz	CLONEQSBYCMXJG-UHFFFAOYSA-N	-1	0	310.317	0.411	20	30		DCEDRM
CC(=O)NCC[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001588502116	958711337	/nfs/dbraw/zinc/71/13/37/958711337.db2.gz	OEANGKVZGHYAQV-WFASDCNBSA-N	-1	0	309.366	0.756	20	30		DCEDRM
Cc1cccc(N(C)C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001362162984	958853561	/nfs/dbraw/zinc/85/35/61/958853561.db2.gz	QLBXLOKLLFSIMS-UHFFFAOYSA-N	-1	0	313.317	0.577	20	30		DCEDRM
CS[C@@H]1CC[C@@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362186529	958896008	/nfs/dbraw/zinc/89/60/08/958896008.db2.gz	QCLNBGKNZFPQDS-GHMZBOCLSA-N	-1	0	322.390	0.611	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CSC[C@@H]1C(=O)N(C)C	ZINC001362194563	958909630	/nfs/dbraw/zinc/90/96/30/958909630.db2.gz	FRRNEKNMNQDKKN-SNVBAGLBSA-N	-1	0	320.374	0.571	20	30		DCEDRM
CC(C)(C)n1nnc(CCOC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001588539820	958952711	/nfs/dbraw/zinc/95/27/11/958952711.db2.gz	AWEUBROGCLTVGM-CYBMUJFWSA-N	-1	0	309.326	0.518	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H]2CC(=O)c3ccccc32)c(=O)[n-]c1=O	ZINC001362372417	959236225	/nfs/dbraw/zinc/23/62/25/959236225.db2.gz	DRTWCRMICVTIDA-LBPRGKRZSA-N	-1	0	324.296	0.264	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC[C@@H]1C[C@H](C)O	ZINC001362457481	959394698	/nfs/dbraw/zinc/39/46/98/959394698.db2.gz	IZAYFYSPENRQIV-JQWIXIFHSA-N	-1	0	305.334	0.579	20	30		DCEDRM
CC[C@@H](C)[C@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)OC	ZINC001362599013	959672881	/nfs/dbraw/zinc/67/28/81/959672881.db2.gz	KGLHVBNMOUJDBR-PWSUYJOCSA-N	-1	0	322.365	0.388	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC[C@@]1(O)CCCOC1	ZINC001362632329	959736073	/nfs/dbraw/zinc/73/60/73/959736073.db2.gz	UVNOAUFESULEND-HNNXBMFYSA-N	-1	0	305.334	0.629	20	30		DCEDRM
CCn1ncc(C)c1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362661102	959786959	/nfs/dbraw/zinc/78/69/59/959786959.db2.gz	HDVSCQULRYWALA-UHFFFAOYSA-N	-1	0	316.321	0.374	20	30		DCEDRM
CC(C)CC1(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362706639	959863243	/nfs/dbraw/zinc/86/32/43/959863243.db2.gz	CHCIUWWAFNPCHN-UHFFFAOYSA-N	-1	0	304.350	0.906	20	30		DCEDRM
CCC[C@@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)OCC	ZINC001362705749	959863545	/nfs/dbraw/zinc/86/35/45/959863545.db2.gz	LUIGLMTZNMFHRZ-NSHDSACASA-N	-1	0	308.338	0.142	20	30		DCEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001603268753	972469629	/nfs/dbraw/zinc/46/96/29/972469629.db2.gz	OIWWPBZMEZUUIK-ZANVPECISA-N	-1	0	307.306	0.485	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cnn3ccccc23)c(=O)[n-]c1=O	ZINC001301650794	960008823	/nfs/dbraw/zinc/00/88/23/960008823.db2.gz	WJORVPMUVZCEEW-UHFFFAOYSA-N	-1	0	310.273	0.107	20	30		DCEDRM
C[C@]1(CC(=O)[N-]Oc2cccc(C#N)c2)CCS(=O)(=O)N1	ZINC001302373373	960021737	/nfs/dbraw/zinc/02/17/37/960021737.db2.gz	HAFWKXOJNLRMNB-CYBMUJFWSA-N	-1	0	309.347	0.440	20	30		DCEDRM
CCN1C[C@H](CNC(=O)c2[n-]c(=O)c(C#N)cc2C)CC1=O	ZINC001362920406	960178511	/nfs/dbraw/zinc/17/85/11/960178511.db2.gz	DQBQFDOUMQBOEH-JTQLQIEISA-N	-1	0	302.334	0.566	20	30		DCEDRM
CO[C@@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001363005627	960286407	/nfs/dbraw/zinc/28/64/07/960286407.db2.gz	TVOMPPQIINVLAX-GFCCVEGCSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C[C@H](COCC1CC1)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363018983	960304886	/nfs/dbraw/zinc/30/48/86/960304886.db2.gz	ZJWKKIGNFDMCLJ-SNVBAGLBSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C[C@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC001363037689	960329158	/nfs/dbraw/zinc/32/91/58/960329158.db2.gz	AKBPCSVKINCCKJ-WPRPVWTQSA-N	-1	0	308.363	0.221	20	30		DCEDRM
Cc1cccc(CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001363128240	960439686	/nfs/dbraw/zinc/43/96/86/960439686.db2.gz	LQRAZPPOVYILNP-UHFFFAOYSA-N	-1	0	312.329	0.488	20	30		DCEDRM
CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CCC[C@H]1C#N	ZINC001363128587	960442118	/nfs/dbraw/zinc/44/21/18/960442118.db2.gz	IBKSTYCABIJMGD-GXSJLCMTSA-N	-1	0	300.322	0.222	20	30		DCEDRM
COC[C@H](NC(=O)Cc1c(C)cc(C#N)cc1C)c1nnn[n-]1	ZINC001363416690	961112381	/nfs/dbraw/zinc/11/23/81/961112381.db2.gz	QAKHDMMDUNVBFN-ZDUSSCGKSA-N	-1	0	314.349	0.735	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCC([C@H](F)C(N)=O)CC1	ZINC001571092291	961118783	/nfs/dbraw/zinc/11/87/83/961118783.db2.gz	QHCPLTZSMCPODP-LBPRGKRZSA-N	-1	0	306.297	0.691	20	30		DCEDRM
CCC[C@H](C)[C@@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363475323	961235034	/nfs/dbraw/zinc/23/50/34/961235034.db2.gz	KGUNQMGPIHEFGF-CMPLNLGQSA-N	-1	0	322.365	0.124	20	30		DCEDRM
N#C[C@]12CN(Cc3cc(C(=O)[O-])co3)C[C@H]1CS(=O)(=O)C2	ZINC001571106418	961279539	/nfs/dbraw/zinc/27/95/39/961279539.db2.gz	OWLFMNCYRBVPIR-GXFFZTMASA-N	-1	0	310.331	0.348	20	30		DCEDRM
N#CC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)C(F)(F)F	ZINC001363526572	961366462	/nfs/dbraw/zinc/36/64/62/961366462.db2.gz	GCHQMURBZOOKEL-MRVPVSSYSA-N	-1	0	311.227	0.836	20	30		DCEDRM
N#Cc1c(NC(=O)c2cc(C(=O)[O-])ccn2)nc2n1CCOC2	ZINC001571118230	961411541	/nfs/dbraw/zinc/41/15/41/961411541.db2.gz	ALOFHKPOZRQEIV-UHFFFAOYSA-N	-1	0	313.273	0.630	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN([S@@](C)(=N)=O)CC1	ZINC001363552907	961426501	/nfs/dbraw/zinc/42/65/01/961426501.db2.gz	GSMBXIBQDKDZFG-JOCHJYFZSA-N	-1	0	323.378	0.317	20	30		DCEDRM
C#CC[C@H](NC(=O)CC1CCN(CC(F)F)CC1)C(=O)[O-]	ZINC001332151367	961486969	/nfs/dbraw/zinc/48/69/69/961486969.db2.gz	YJBOLYIRHSWACU-NSHDSACASA-N	-1	0	302.321	0.946	20	30		DCEDRM
COC[C@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001363604272	961537404	/nfs/dbraw/zinc/53/74/04/961537404.db2.gz	CXXHFXHBPDLZQR-LBPRGKRZSA-N	-1	0	322.365	0.245	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@@H](CN(C)c2ncc(C(=O)[O-])cn2)C1	ZINC001571133674	961597536	/nfs/dbraw/zinc/59/75/36/961597536.db2.gz	USOJCZUXMSZYDW-MNOVXSKESA-N	-1	0	317.349	0.619	20	30		DCEDRM
N#Cc1cccc(NCCOCCOCC(=O)[O-])c1[N+](=O)[O-]	ZINC001574489582	961704615	/nfs/dbraw/zinc/70/46/15/961704615.db2.gz	KLTQSEQQGDWQRK-UHFFFAOYSA-N	-1	0	309.278	0.996	20	30		DCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1ccsc1	ZINC001363714638	961748276	/nfs/dbraw/zinc/74/82/76/961748276.db2.gz	CKPFVZGAZRDOMN-UHFFFAOYSA-N	-1	0	304.331	0.935	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](CCCO)c2ccccc2)c(C#N)c1=O	ZINC001363724805	961765162	/nfs/dbraw/zinc/76/51/62/961765162.db2.gz	BYJIUZMYZOHJNY-CYBMUJFWSA-N	-1	0	314.345	0.871	20	30		DCEDRM
COC[C@@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@H](C)O1	ZINC001363797165	961907265	/nfs/dbraw/zinc/90/72/65/961907265.db2.gz	SOQVFMSOQKVAAG-GWCFXTLKSA-N	-1	0	317.349	0.542	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3cncc(F)c3)C2)c(=O)[n-]c1=O	ZINC001363960449	962196803	/nfs/dbraw/zinc/19/68/03/962196803.db2.gz	UGGFFWVKMCVKAJ-UHFFFAOYSA-N	-1	0	315.264	0.052	20	30		DCEDRM
N#C[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC001363969689	962208318	/nfs/dbraw/zinc/20/83/18/962208318.db2.gz	FWAOYKZXNAXNPL-SECBINFHSA-N	-1	0	309.347	0.415	20	30		DCEDRM
Cc1ccc([C@@H](O)CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001364173226	962606268	/nfs/dbraw/zinc/60/62/68/962606268.db2.gz	BBMIYUYSURHXJI-LBPRGKRZSA-N	-1	0	300.318	0.399	20	30		DCEDRM
C#CCCCCC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573303758	962681511	/nfs/dbraw/zinc/68/15/11/962681511.db2.gz	RXFUFGNEKFQBOD-NWDGAFQWSA-N	-1	0	306.362	0.666	20	30		DCEDRM
C=C(Br)CNC1(CNC(=O)CNC(=O)[O-])CC1	ZINC001573313758	962736986	/nfs/dbraw/zinc/73/69/86/962736986.db2.gz	QTGPPZLYYSACHZ-UHFFFAOYSA-N	-1	0	306.160	0.401	20	30		DCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001573319723	962747019	/nfs/dbraw/zinc/74/70/19/962747019.db2.gz	AFNAGJQVPXFZLB-QMMMGPOBSA-N	-1	0	303.340	0.022	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1CCC2(CN(C(=O)CNC(=O)[O-])C2)C1	ZINC001573321654	962760330	/nfs/dbraw/zinc/76/03/30/962760330.db2.gz	OZOSBXRBQJFIIJ-UHFFFAOYSA-N	-1	0	323.393	0.917	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1oc(S(N)(=O)=O)cc1C)C(=O)[O-]	ZINC001573323348	962771736	/nfs/dbraw/zinc/77/17/36/962771736.db2.gz	ABYTXKVCDFOWGK-QMMMGPOBSA-N	-1	0	316.335	0.385	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1	ZINC001573333138	962850932	/nfs/dbraw/zinc/85/09/32/962850932.db2.gz	WOILLNDLSCUXLU-UHFFFAOYSA-N	-1	0	321.381	0.998	20	30		DCEDRM
C=CCCC1(C(=O)N2CC([C@@H](C)NC(=O)CNC(=O)[O-])C2)CC1	ZINC001573358249	963024711	/nfs/dbraw/zinc/02/47/11/963024711.db2.gz	XGFMAQCXCPOZMD-LLVKDONJSA-N	-1	0	323.393	0.964	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3[C@@H](CNC(=O)[C@H](C)C#N)[C@@H]3C2)c1[O-]	ZINC001381353198	963993547	/nfs/dbraw/zinc/99/35/47/963993547.db2.gz	DPCCLAWWWZRUSO-WKJUBOCMSA-N	-1	0	317.349	0.018	20	30		DCEDRM
C=C(C)Cn1c(-c2ncon2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588442243	964056586	/nfs/dbraw/zinc/05/65/86/964056586.db2.gz	HBXLHCVKGILKRB-VIFPVBQESA-N	-1	0	304.310	0.815	20	30		DCEDRM
C#CCCCCNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588442929	964059589	/nfs/dbraw/zinc/05/95/89/964059589.db2.gz	ZQUCOIXTUHJCIQ-LLVKDONJSA-N	-1	0	305.338	0.736	20	30		DCEDRM
CC(=O)N[C@@H](CSc1cc(C#N)nc(C2CC2)n1)C(=O)[O-]	ZINC001573435932	964061023	/nfs/dbraw/zinc/06/10/23/964061023.db2.gz	FFDDQEYNBHDDOQ-JTQLQIEISA-N	-1	0	306.347	0.907	20	30		DCEDRM
C=C(C)Cn1c(C[S@](C)=O)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588443415	964061222	/nfs/dbraw/zinc/06/12/22/964061222.db2.gz	PVHLFZLGNUNOES-UZJPJQLHSA-N	-1	0	312.395	0.644	20	30		DCEDRM
C[C@H](CCC1CC1)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001369570858	965181288	/nfs/dbraw/zinc/18/12/88/965181288.db2.gz	SQGZHKCGBXKHCM-SNVBAGLBSA-N	-1	0	319.365	0.698	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001381757336	966665374	/nfs/dbraw/zinc/66/53/74/966665374.db2.gz	PMZJWOQLTDYOMI-GHMZBOCLSA-N	-1	0	306.370	0.531	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)cc1	ZINC000317388194	970353754	/nfs/dbraw/zinc/35/37/54/970353754.db2.gz	JNVZUHYJHKJMJU-UHFFFAOYSA-N	-1	0	324.358	0.665	20	30		DCEDRM
COC[C@@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)[C@@H]1CCCO1	ZINC001448686588	1013996371	/nfs/dbraw/zinc/99/63/71/1013996371.db2.gz	XTRBBWCEISUSCO-NEPJUHHUSA-N	-1	0	305.334	0.891	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(C)(C#N)CC2)C1	ZINC001603290573	972547649	/nfs/dbraw/zinc/54/76/49/972547649.db2.gz	PDYXQLDVSLHSBO-OAHLLOKOSA-N	-1	0	307.350	0.462	20	30		DCEDRM
CN1C(=O)NCC12CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC001604196001	972636517	/nfs/dbraw/zinc/63/65/17/972636517.db2.gz	GMZTZBOIRXHMGO-ZDUSSCGKSA-N	-1	0	308.338	0.007	20	30		DCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001603392426	973017230	/nfs/dbraw/zinc/01/72/30/973017230.db2.gz	RPJMIZBPNOOZQS-ZJUUUORDSA-N	-1	0	315.333	0.992	20	30		DCEDRM
COC(=O)c1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])nc1	ZINC001604385246	973105463	/nfs/dbraw/zinc/10/54/63/973105463.db2.gz	FPIUIYHIHPRGJR-CQSZACIVSA-N	-1	0	305.290	0.489	20	30		DCEDRM
Cc1nc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])sc1C(N)=O	ZINC001605403966	973401530	/nfs/dbraw/zinc/40/15/30/973401530.db2.gz	YBYVOKNALKWZKQ-GFCCVEGCSA-N	-1	0	310.335	0.171	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@]2(CCO[C@H]2C)C1	ZINC001448974023	1014113927	/nfs/dbraw/zinc/11/39/27/1014113927.db2.gz	VRHORIDPPJQSAV-MEDUHNTESA-N	-1	0	317.345	0.987	20	30		DCEDRM
N#C[C@@]1(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC2CCC1CC2	ZINC001605577315	973856986	/nfs/dbraw/zinc/85/69/86/973856986.db2.gz	ZLHLWRUIGBMDHU-PPUFBPAQSA-N	-1	0	319.361	0.462	20	30		DCEDRM
N#CCCN1CCN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CC1	ZINC001605585612	973877415	/nfs/dbraw/zinc/87/74/15/973877415.db2.gz	HADYXZGIRQRTMT-QWHCGFSZSA-N	-1	0	309.366	0.314	20	30		DCEDRM
N#CCOc1ccc(CC(=O)Nc2ncn(CC(=O)[O-])n2)cc1	ZINC001605586120	973880293	/nfs/dbraw/zinc/88/02/93/973880293.db2.gz	QMOMLAUCAJPHFK-UHFFFAOYSA-N	-1	0	315.289	0.446	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccoc1C(=O)[O-]	ZINC001592221461	977399438	/nfs/dbraw/zinc/39/94/38/977399438.db2.gz	HRGGLTQBIMXYJA-MRVPVSSYSA-N	-1	0	301.324	0.546	20	30		DCEDRM
C[C@@H](CC#N)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC001592222167	977406145	/nfs/dbraw/zinc/40/61/45/977406145.db2.gz	SFNOGACNCCMUMO-FZMZJTMJSA-N	-1	0	301.346	0.916	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000717771379	977917237	/nfs/dbraw/zinc/91/72/37/977917237.db2.gz	YQMNIEFSCIZXDZ-QMMMGPOBSA-N	-1	0	301.295	0.186	20	30		DCEDRM
C[C@H](CC(=O)[O-])CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N	ZINC001592391904	977940198	/nfs/dbraw/zinc/94/01/98/977940198.db2.gz	SNRZKSVYTXXJFZ-VIFPVBQESA-N	-1	0	321.337	0.557	20	30		DCEDRM
CC[C@@H]1CCCCN1C(=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001595447688	981096421	/nfs/dbraw/zinc/09/64/21/981096421.db2.gz	IXWFGBFTHARRRF-GFCCVEGCSA-N	-1	0	321.377	0.994	20	30		DCEDRM
CC[C@@H](C(=O)[O-])C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC001594745105	981629499	/nfs/dbraw/zinc/62/94/99/981629499.db2.gz	KYMITDCQSZDKCK-GHMZBOCLSA-N	-1	0	317.349	0.496	20	30		DCEDRM
CCCC[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H](C)C#N	ZINC001595633231	981868179	/nfs/dbraw/zinc/86/81/79/981868179.db2.gz	FYTNMOHFZZJKPE-MNOVXSKESA-N	-1	0	319.365	0.843	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(CC(=O)OC)c1	ZINC001523875572	1014790073	/nfs/dbraw/zinc/79/00/73/1014790073.db2.gz	RATBPQPVSHNNAF-ZDUSSCGKSA-N	-1	0	318.329	0.487	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001588368640	983306919	/nfs/dbraw/zinc/30/69/19/983306919.db2.gz	PQMMJMGEVMUYOA-SNVBAGLBSA-N	-1	0	304.302	0.569	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001588368639	983306945	/nfs/dbraw/zinc/30/69/45/983306945.db2.gz	PQMMJMGEVMUYOA-JTQLQIEISA-N	-1	0	304.302	0.569	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC001588369635	983316196	/nfs/dbraw/zinc/31/61/96/983316196.db2.gz	RIKPRQFVEWNUAN-SNVBAGLBSA-N	-1	0	304.302	0.860	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-]	ZINC001588370745	983321457	/nfs/dbraw/zinc/32/14/57/983321457.db2.gz	MIPYEURSJUPKRW-MRVPVSSYSA-N	-1	0	303.723	0.311	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(OC)cc2C(=O)[O-])C1	ZINC001588375544	983345263	/nfs/dbraw/zinc/34/52/63/983345263.db2.gz	BBDVYIPAGUXUIR-UHFFFAOYSA-N	-1	0	320.276	0.516	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)C1	ZINC001588382174	983369239	/nfs/dbraw/zinc/36/92/39/983369239.db2.gz	IOJHMNRDEYTZRR-MLGOLLRUSA-N	-1	0	306.362	0.572	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588382918	983375665	/nfs/dbraw/zinc/37/56/65/983375665.db2.gz	VXCYKEJWOBCVBK-VIFPVBQESA-N	-1	0	304.306	0.071	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC001588384162	983387695	/nfs/dbraw/zinc/38/76/95/983387695.db2.gz	XSOBDVNBFZEVEU-LBPRGKRZSA-N	-1	0	318.329	0.937	20	30		DCEDRM
C#CCC(CC#C)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001588390457	983394481	/nfs/dbraw/zinc/39/44/81/983394481.db2.gz	VLGZNERTEKDVLO-OLZOCXBDSA-N	-1	0	305.330	0.514	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC001588393271	983397102	/nfs/dbraw/zinc/39/71/02/983397102.db2.gz	FCBVPFQFVDYQQJ-SECBINFHSA-N	-1	0	324.358	0.848	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)COCc1ocnc1C(=O)[O-]	ZINC001588393562	983398599	/nfs/dbraw/zinc/39/85/99/983398599.db2.gz	HQSDSWGKPJEDDY-SNVBAGLBSA-N	-1	0	310.306	0.434	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001588393576	983398864	/nfs/dbraw/zinc/39/88/64/983398864.db2.gz	HXUINKXIMURHJU-LBPRGKRZSA-N	-1	0	318.329	0.786	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(=O)c1cnn(-c2ccccc2)c1)C(=O)[O-]	ZINC001588393972	983400880	/nfs/dbraw/zinc/40/08/80/983400880.db2.gz	HZZGHAYROPPXQK-CYBMUJFWSA-N	-1	0	311.297	0.648	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001588396752	983409588	/nfs/dbraw/zinc/40/95/88/983409588.db2.gz	YUPNWQVVUKUDCE-GFCCVEGCSA-N	-1	0	323.370	0.465	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@@H](n1ccnc1)C(F)(F)F)C(=O)[O-]	ZINC001588405181	983420333	/nfs/dbraw/zinc/42/03/33/983420333.db2.gz	DLACQSSLKQJVRJ-RKDXNWHRSA-N	-1	0	303.240	0.969	20	30		DCEDRM
C#CC[C@H](NC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)C(=O)[O-]	ZINC001588405702	983422654	/nfs/dbraw/zinc/42/26/54/983422654.db2.gz	IFDLEXAXCZAQJC-BXKUYDPTSA-N	-1	0	311.315	0.289	20	30		DCEDRM
C#CC[C@H](NC(=O)CCn1cnc2ccccc2c1=O)C(=O)[O-]	ZINC001588406135	983424305	/nfs/dbraw/zinc/42/43/05/983424305.db2.gz	YIFURHVUOFQSOJ-ZDUSSCGKSA-N	-1	0	313.313	0.379	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)C(=O)[O-]	ZINC001588406682	983425942	/nfs/dbraw/zinc/42/59/42/983425942.db2.gz	SGBWCBJYOBFNHI-WDEREUQCSA-N	-1	0	322.361	0.836	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](NC(=O)N1CCCC1)[C@H](C)CC)C(=O)[O-]	ZINC001588407519	983428730	/nfs/dbraw/zinc/42/87/30/983428730.db2.gz	JJEUAGJUFPSGGA-AGIUHOORSA-N	-1	0	323.393	0.799	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1CC)C(=O)[O-]	ZINC001588413782	983432066	/nfs/dbraw/zinc/43/20/66/983432066.db2.gz	HUYRDWJRQPANQM-ZDUSSCGKSA-N	-1	0	323.370	0.859	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccnc(NC(=O)C2CC2)c1)C(=O)[O-]	ZINC001588416920	983437914	/nfs/dbraw/zinc/43/79/14/983437914.db2.gz	STMZBHIDEAYWRX-NSHDSACASA-N	-1	0	301.302	0.636	20	30		DCEDRM
C#CCC1(NS(=O)(=O)c2cc(C(=O)[O-])ccn2)CCOCC1	ZINC001588428041	983459626	/nfs/dbraw/zinc/45/96/26/983459626.db2.gz	YMMHXQZAPASZTK-UHFFFAOYSA-N	-1	0	324.358	0.631	20	30		DCEDRM
C#CCN(C)S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)[O-]	ZINC001588463810	983492431	/nfs/dbraw/zinc/49/24/31/983492431.db2.gz	LUJNXNJZBJOOPW-UHFFFAOYSA-N	-1	0	311.315	0.425	20	30		DCEDRM
C#CCN(C1CSC1)S(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001588464656	983493752	/nfs/dbraw/zinc/49/37/52/983493752.db2.gz	AZWYGQCDUABDDQ-UHFFFAOYSA-N	-1	0	314.388	0.463	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)c1ncc(C(=O)[O-])cn1	ZINC001588489973	983529980	/nfs/dbraw/zinc/52/99/80/983529980.db2.gz	FJIWZRYZGGJNCM-WDEREUQCSA-N	-1	0	320.349	0.154	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)c1ncc(C(=O)[O-])cn1	ZINC001588489971	983529992	/nfs/dbraw/zinc/52/99/92/983529992.db2.gz	FJIWZRYZGGJNCM-QWRGUYRKSA-N	-1	0	320.349	0.154	20	30		DCEDRM
C#C[C@H]1CC[C@H](NS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1	ZINC001588510360	983555476	/nfs/dbraw/zinc/55/54/76/983555476.db2.gz	FGDMWMYFEVLLHU-MGCOHNPYSA-N	-1	0	311.363	0.887	20	30		DCEDRM
C#Cc1ccc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)nc1	ZINC001588517028	983562984	/nfs/dbraw/zinc/56/29/84/983562984.db2.gz	IOWYRCCLXZERPU-MRXNPFEDSA-N	-1	0	301.346	0.429	20	30		DCEDRM
C#Cc1cccc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)c1	ZINC001588518164	983568630	/nfs/dbraw/zinc/56/86/30/983568630.db2.gz	SXMAZLULSZOQHJ-CQSZACIVSA-N	-1	0	314.341	0.607	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588534127	983585419	/nfs/dbraw/zinc/58/54/19/983585419.db2.gz	FGOPLSXCDUQUOX-FVCCEPFGSA-N	-1	0	312.366	0.757	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC(CC(=O)[O-])C1	ZINC001588535046	983587927	/nfs/dbraw/zinc/58/79/27/983587927.db2.gz	JWNVOONSVGHYTN-BOLFBJMRSA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CNC(=O)OCC(F)(F)F)C(=O)[O-]	ZINC001588542587	983609234	/nfs/dbraw/zinc/60/92/34/983609234.db2.gz	MOVMKCCPKJHTJT-ZETCQYMHSA-N	-1	0	312.244	0.811	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1cnc2c(c1)NC(=O)CN2C)C(=O)[O-]	ZINC001588548783	983625662	/nfs/dbraw/zinc/62/56/62/983625662.db2.gz	UDWRXPRQCJEIQO-LLVKDONJSA-N	-1	0	318.333	0.619	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)C(=O)NCCO2)C(=O)[O-]	ZINC001588549082	983626440	/nfs/dbraw/zinc/62/64/40/983626440.db2.gz	XEYAMXCUJSWVLE-GFCCVEGCSA-N	-1	0	318.329	0.958	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC001588555420	983634612	/nfs/dbraw/zinc/63/46/12/983634612.db2.gz	IERSFZFNTGQTRW-SECBINFHSA-N	-1	0	315.307	0.688	20	30		DCEDRM
C=C(C)Cn1c([C@H](O)COC)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588592036	983675158	/nfs/dbraw/zinc/67/51/58/983675158.db2.gz	QMMHLZZMEYYTKE-IJLUTSLNSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=C(C)Cn1c(C[C@@H](C)O)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588597886	983680726	/nfs/dbraw/zinc/68/07/26/983680726.db2.gz	MLFJYQSGPVOSJK-MNOVXSKESA-N	-1	0	310.354	0.067	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(Cc2ccnn2C)CC1	ZINC001588615299	983711478	/nfs/dbraw/zinc/71/14/78/983711478.db2.gz	PSFTWTBGLTZRAS-UHFFFAOYSA-N	-1	0	306.366	0.485	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCOC[C@@H]1OCCOC	ZINC001588623628	983729016	/nfs/dbraw/zinc/72/90/16/983729016.db2.gz	UGSTUVZMWMFNGC-RYUDHWBXSA-N	-1	0	301.339	0.344	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cnn(CCN2CCOCC2)c1	ZINC001588633864	983751412	/nfs/dbraw/zinc/75/14/12/983751412.db2.gz	SXGZNUNCVPNCMO-UHFFFAOYSA-N	-1	0	322.365	0.575	20	30		DCEDRM
CCN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cnc(C#N)cn1	ZINC001596326097	983759278	/nfs/dbraw/zinc/75/92/78/983759278.db2.gz	CKPFMAVZJKMZTO-RYUDHWBXSA-N	-1	0	317.349	0.402	20	30		DCEDRM
C=C[C@@](C)(O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001588682980	983846682	/nfs/dbraw/zinc/84/66/82/983846682.db2.gz	SQTAQBSUPRQAQP-OAHLLOKOSA-N	-1	0	306.318	0.305	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001588683931	983852916	/nfs/dbraw/zinc/85/29/16/983852916.db2.gz	HMKFGIJVQKGBLN-XHDPSFHLSA-N	-1	0	320.349	0.515	20	30		DCEDRM
C=C[C@H](O)C(=O)O[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001588704251	983923619	/nfs/dbraw/zinc/92/36/19/983923619.db2.gz	DCAWNJNBABWJPI-CABZTGNLSA-N	-1	0	307.302	0.480	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1CC1CC1	ZINC001588704576	983924611	/nfs/dbraw/zinc/92/46/11/983924611.db2.gz	GWKFDKWWZPTDTO-QWRGUYRKSA-N	-1	0	308.338	0.197	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CCC[C@](C)(C(=O)[O-])C2)n1CCOC	ZINC001588706253	983930353	/nfs/dbraw/zinc/93/03/53/983930353.db2.gz	XEGJPJAYAPZXCZ-NHYWBVRUSA-N	-1	0	324.381	0.835	20	30		DCEDRM
C=CCC(CC=C)C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588737944	984031465	/nfs/dbraw/zinc/03/14/65/984031465.db2.gz	XHCCYFMFXGVJSW-STQMWFEESA-N	-1	0	306.362	0.803	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC001588743775	984039551	/nfs/dbraw/zinc/03/95/51/984039551.db2.gz	COILOYWPTZWEPY-MRVPVSSYSA-N	-1	0	303.311	0.739	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001588744228	984041281	/nfs/dbraw/zinc/04/12/81/984041281.db2.gz	ITYLIQWXTRRVBL-ZCFIWIBFSA-N	-1	0	309.727	0.847	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC001588744235	984041295	/nfs/dbraw/zinc/04/12/95/984041295.db2.gz	IWELAPFPDXNIIO-MRVPVSSYSA-N	-1	0	312.347	0.746	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC	ZINC001588744087	984041421	/nfs/dbraw/zinc/04/14/21/984041421.db2.gz	HJNKXVVOTVOJMN-VIFPVBQESA-N	-1	0	322.317	0.385	20	30		DCEDRM
C=CC[C@@H](OC(=O)CNC(=O)c1ccccc1OC)C(=O)[O-]	ZINC001588753145	984083012	/nfs/dbraw/zinc/08/30/12/984083012.db2.gz	AWAKJOGUFGDKHG-GFCCVEGCSA-N	-1	0	307.302	0.998	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-]	ZINC001588753982	984090485	/nfs/dbraw/zinc/09/04/85/984090485.db2.gz	QQBQQEGSYRFEIF-YUMQZZPRSA-N	-1	0	309.240	0.970	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588810429	984266906	/nfs/dbraw/zinc/26/69/06/984266906.db2.gz	PVURLSRLWYYQQU-LPWJVIDDSA-N	-1	0	324.377	0.311	20	30		DCEDRM
C=CCCOCCn1nnnc1N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001588813051	984269153	/nfs/dbraw/zinc/26/91/53/984269153.db2.gz	HIAZZOIGBUUDSC-CQSZACIVSA-N	-1	0	309.370	0.957	20	30		DCEDRM
C=CCCSCCn1nnnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588814685	984272144	/nfs/dbraw/zinc/27/21/44/984272144.db2.gz	LFWCGXYGWROXQU-SNVBAGLBSA-N	-1	0	313.383	0.272	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1	ZINC001588828706	984308215	/nfs/dbraw/zinc/30/82/15/984308215.db2.gz	KCMVJTXSKJEKKP-IAQYHMDHSA-N	-1	0	312.366	0.217	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2ccoc2CC(=O)[O-])C1=O	ZINC001588838438	984338466	/nfs/dbraw/zinc/33/84/66/984338466.db2.gz	FCKYIDGUXODVPJ-NSHDSACASA-N	-1	0	306.318	0.766	20	30		DCEDRM
C=CCNC(=O)CNC(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC001588844329	984357257	/nfs/dbraw/zinc/35/72/57/984357257.db2.gz	HBHKWCHWYAXVQM-UHFFFAOYSA-N	-1	0	305.334	0.415	20	30		DCEDRM
C=CCNC(=O)CNC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C	ZINC001588844743	984360241	/nfs/dbraw/zinc/36/02/41/984360241.db2.gz	RMBBZFYWZVNUMN-UHFFFAOYSA-N	-1	0	320.349	0.875	20	30		DCEDRM
C=CCOCC(=O)N1CCC(Nc2ncc(C(=O)[O-])cn2)CC1	ZINC001588849875	984376428	/nfs/dbraw/zinc/37/64/28/984376428.db2.gz	MQJCJBCFIPYGMZ-UHFFFAOYSA-N	-1	0	320.349	0.780	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)C1	ZINC001588849989	984377580	/nfs/dbraw/zinc/37/75/80/984377580.db2.gz	RXKCHTGHPFLBOB-QJPTWQEYSA-N	-1	0	310.350	0.112	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1	ZINC001588849998	984377703	/nfs/dbraw/zinc/37/77/03/984377703.db2.gz	SEZBEMHBIHYTSS-NWDGAFQWSA-N	-1	0	310.350	0.113	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)C1	ZINC001588849991	984378002	/nfs/dbraw/zinc/37/80/02/984378002.db2.gz	RXKCHTGHPFLBOB-UTUOFQBUSA-N	-1	0	310.350	0.112	20	30		DCEDRM
C=CCOCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCCC1	ZINC001588850730	984379244	/nfs/dbraw/zinc/37/92/44/984379244.db2.gz	BBYPHQSNHYBXGX-VXGBXAGGSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCOCC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCCC1	ZINC001588850727	984379471	/nfs/dbraw/zinc/37/94/71/984379471.db2.gz	BBYPHQSNHYBXGX-NEPJUHHUSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCCN(C)C(=O)OC)C(=O)[O-]	ZINC001588853980	984388258	/nfs/dbraw/zinc/38/82/58/984388258.db2.gz	NBNBQPUNPANOQZ-JTQLQIEISA-N	-1	0	302.327	0.237	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CC(c2cccnc2)=NO1)C(=O)[O-]	ZINC001588855669	984394533	/nfs/dbraw/zinc/39/45/33/984394533.db2.gz	NPDUNJVHPMQPHH-CHWSQXEVSA-N	-1	0	319.317	0.347	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c[nH]cc(Cl)c1=O)C(=O)[O-]	ZINC001588860597	984414181	/nfs/dbraw/zinc/41/41/81/984414181.db2.gz	ZWMHLJKLPCXSGF-SECBINFHSA-N	-1	0	300.698	0.414	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccc(C#N)c(C)c1)C(=O)[O-]	ZINC001588865812	984420181	/nfs/dbraw/zinc/42/01/81/984420181.db2.gz	BXKQHGHXOIYGNA-CYBMUJFWSA-N	-1	0	324.358	0.801	20	30		DCEDRM
C=CCn1c(-c2cc[nH]n2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588890210	984484789	/nfs/dbraw/zinc/48/47/89/984484789.db2.gz	SQJAJAFPPFWZHM-SNVBAGLBSA-N	-1	0	304.310	0.144	20	30		DCEDRM
C=CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588896263	984500235	/nfs/dbraw/zinc/50/02/35/984500235.db2.gz	RBGCJAPPZRSLLR-GHMZBOCLSA-N	-1	0	321.381	0.759	20	30		DCEDRM
C=CCn1c(CC)nnc1N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588897518	984511122	/nfs/dbraw/zinc/51/11/22/984511122.db2.gz	LDZXMNCIZJRXBO-ZJUUUORDSA-N	-1	0	308.338	0.337	20	30		DCEDRM
C=CCn1c(C[C@H](O)C2CC2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588898347	984517942	/nfs/dbraw/zinc/51/79/42/984517942.db2.gz	WFPHWHHSHIZLKK-RYUDHWBXSA-N	-1	0	306.366	0.688	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC001588916279	984559435	/nfs/dbraw/zinc/55/94/35/984559435.db2.gz	CJQCFSLMZQUJMO-AVGNSLFASA-N	-1	0	324.377	0.311	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC001588917924	984568184	/nfs/dbraw/zinc/56/81/84/984568184.db2.gz	JUGMCSKSEHLEGY-APPZFPTMSA-N	-1	0	310.331	0.845	20	30		DCEDRM
C=C[C@H](CO)NC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001588919288	984571072	/nfs/dbraw/zinc/57/10/72/984571072.db2.gz	GHNAZMVQQQLXQS-NXEZZACHSA-N	-1	0	316.354	0.408	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001588920104	984575638	/nfs/dbraw/zinc/57/56/38/984575638.db2.gz	SRQCGMJFJZOALH-AXFHLTTASA-N	-1	0	300.380	0.789	20	30		DCEDRM
CC#CCCCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC001588924868	984583708	/nfs/dbraw/zinc/58/37/08/984583708.db2.gz	GQLQTZRVHZKGRB-LLVKDONJSA-N	-1	0	301.364	0.280	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC001588926055	984590826	/nfs/dbraw/zinc/59/08/26/984590826.db2.gz	HEIYNGSGSPFRLG-VIFPVBQESA-N	-1	0	324.358	0.584	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(C#N)c(Cl)n1)C(=O)[O-]	ZINC001599898934	984789373	/nfs/dbraw/zinc/78/93/73/984789373.db2.gz	FAPFQFKDGGSICK-BQBZGAKWSA-N	-1	0	324.724	0.314	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001589328994	986160230	/nfs/dbraw/zinc/16/02/30/986160230.db2.gz	HGATWGLSDYSBPO-MWLCHTKSSA-N	-1	0	303.322	0.737	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001589329482	986163580	/nfs/dbraw/zinc/16/35/80/986163580.db2.gz	OCFPRSZVULNLRR-VIFPVBQESA-N	-1	0	303.322	0.419	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001589330084	986169174	/nfs/dbraw/zinc/16/91/74/986169174.db2.gz	YCVRHFWEVDAKRB-IVZWLZJFSA-N	-1	0	303.322	0.015	20	30		DCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001589330898	986180499	/nfs/dbraw/zinc/18/04/99/986180499.db2.gz	UIUPRAOLIHEHGK-SSDOTTSWSA-N	-1	0	319.273	0.328	20	30		DCEDRM
C[C@H](C(=O)NCc1ccc(C(=O)[O-])s1)n1cnc(C#N)n1	ZINC001589414688	986636574	/nfs/dbraw/zinc/63/65/74/986636574.db2.gz	KWMGKLPKRRLQHF-SSDOTTSWSA-N	-1	0	305.319	0.787	20	30		DCEDRM
CC(C)(C)C#CC(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001589681861	987715756	/nfs/dbraw/zinc/71/57/56/987715756.db2.gz	IUOYPHRDWFPOAM-UHFFFAOYSA-N	-1	0	316.361	0.873	20	30		DCEDRM
N#Cc1ccc(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)nc1	ZINC001450772883	1015349563	/nfs/dbraw/zinc/34/95/63/1015349563.db2.gz	ILTTZRNNVFDOLP-UHFFFAOYSA-N	-1	0	320.316	0.272	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H](O)CC(=O)[O-]	ZINC001589867422	988487511	/nfs/dbraw/zinc/48/75/11/988487511.db2.gz	WOVHQOAXTLJVOW-YMTOWFKASA-N	-1	0	314.338	0.200	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)O[C@H]1C(=O)[O-]	ZINC001599875251	989409193	/nfs/dbraw/zinc/40/91/93/989409193.db2.gz	PHNJPBKQPNSUHB-YVECIDJPSA-N	-1	0	309.366	0.216	20	30		DCEDRM
CN(C(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001597989763	990075816	/nfs/dbraw/zinc/07/58/16/990075816.db2.gz	CAFYYOSMNFJJPY-AOOOYVTPSA-N	-1	0	319.292	0.957	20	30		DCEDRM
CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(CC#Cc2ccccc2)C1	ZINC001597998619	990127255	/nfs/dbraw/zinc/12/72/55/990127255.db2.gz	QUAUFTBBVLQKSS-CVEARBPZSA-N	-1	0	312.369	0.901	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC001590615248	990288536	/nfs/dbraw/zinc/28/85/36/990288536.db2.gz	PDCWGYFRPYXHSA-BZNIZROVSA-N	-1	0	321.377	0.898	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001590928045	990938528	/nfs/dbraw/zinc/93/85/28/990938528.db2.gz	PLMLUCQLOUXORI-HAQNSBGRSA-N	-1	0	316.361	0.563	20	30		DCEDRM
CC(C)C#CC(=O)NCC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001590928101	990939813	/nfs/dbraw/zinc/93/98/13/990939813.db2.gz	RVFLZNOHQJQHGX-ZIAGYGMSSA-N	-1	0	320.389	0.721	20	30		DCEDRM
COc1ncc(NC(=O)N2CC[C@@](OC)(C(=O)[O-])C2)cc1C#N	ZINC001599733841	991745267	/nfs/dbraw/zinc/74/52/67/991745267.db2.gz	HFEUQSNFOMLCPN-AWEZNQCLSA-N	-1	0	320.305	0.669	20	30		DCEDRM
CN(CC1(CO)CC1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598442831	991864720	/nfs/dbraw/zinc/86/47/20/991864720.db2.gz	HGPWQQWKQLJKJJ-UHFFFAOYSA-N	-1	0	324.358	0.649	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-]	ZINC001598468748	991991194	/nfs/dbraw/zinc/99/11/94/991991194.db2.gz	JFENFGTXYAHEDN-CMPLNLGQSA-N	-1	0	303.384	0.700	20	30		DCEDRM
CN(CCC#N)C[C@H](O)Cn1nc(C(=O)[O-])c2c1CCCC2	ZINC001598469050	991995216	/nfs/dbraw/zinc/99/52/16/991995216.db2.gz	QMRURJHYOZSNJK-NSHDSACASA-N	-1	0	306.366	0.666	20	30		DCEDRM
CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001599762143	992136681	/nfs/dbraw/zinc/13/66/81/992136681.db2.gz	DYLISFQCRZOYGC-AVGNSLFASA-N	-1	0	308.359	0.849	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001598485017	992193626	/nfs/dbraw/zinc/19/36/26/992193626.db2.gz	IWZPPYAGXCDSOT-RKDXNWHRSA-N	-1	0	320.353	0.158	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)C1(C#N)CC(C)C1)C(=O)[O-]	ZINC001591453498	992559918	/nfs/dbraw/zinc/55/99/18/992559918.db2.gz	KFPSJFHGNZWEBP-VTWZXRTESA-N	-1	0	309.366	0.658	20	30		DCEDRM
C[C@@H](NC(=O)c1cccs1)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001593178880	994059285	/nfs/dbraw/zinc/05/92/85/994059285.db2.gz	HTKPMYDBVWUFRQ-SECBINFHSA-N	-1	0	309.347	0.693	20	30		DCEDRM
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[C@](O)(C(=O)[O-])C1	ZINC001598711112	995350271	/nfs/dbraw/zinc/35/02/71/995350271.db2.gz	IGBZGXXDMVPJAH-IUODEOHRSA-N	-1	0	304.302	0.294	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(C#N)oc1C	ZINC001598744425	995578886	/nfs/dbraw/zinc/57/88/86/995578886.db2.gz	GZQAIQXPGIXVQL-BXKDBHETSA-N	-1	0	320.301	0.938	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(Cc2ccncc2C#N)C1	ZINC001598774024	995910702	/nfs/dbraw/zinc/91/07/02/995910702.db2.gz	DUHBMGONLYXHIQ-YPMHNXCESA-N	-1	0	303.318	0.791	20	30		DCEDRM
C[C@@H](Sc1ccccc1C(=O)NCC(=O)NCC#N)C(=O)[O-]	ZINC001593668863	996067937	/nfs/dbraw/zinc/06/79/37/996067937.db2.gz	LEMBNOIKRLCAPQ-SECBINFHSA-N	-1	0	321.358	0.621	20	30		DCEDRM
COC(=O)[C@H]1CCN(Cc2cncc(C#N)c2)[C@H](C(=O)[O-])C1	ZINC001598804276	996169377	/nfs/dbraw/zinc/16/93/77/996169377.db2.gz	RDSIHKPJVHKLSB-STQMWFEESA-N	-1	0	303.318	0.791	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCC(CC(=O)[O-])CC2)C1	ZINC001593739432	996352872	/nfs/dbraw/zinc/35/28/72/996352872.db2.gz	HAXCLTSCXQEGCB-MRXNPFEDSA-N	-1	0	321.377	0.852	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)c2scnc2C(=O)[O-])CCO1	ZINC001593743079	996365079	/nfs/dbraw/zinc/36/50/79/996365079.db2.gz	IZHSTDAXPNXRMJ-JTQLQIEISA-N	-1	0	317.348	0.144	20	30		DCEDRM
C[C@]1(C#N)CN(C(=O)CCCn2ccc(C(=O)[O-])n2)CCO1	ZINC001593743599	996369637	/nfs/dbraw/zinc/36/96/37/996369637.db2.gz	VWCZSNDSXGUIPX-AWEZNQCLSA-N	-1	0	306.322	0.503	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(Cl)c(C#N)c1	ZINC001598861218	996676342	/nfs/dbraw/zinc/67/63/42/996676342.db2.gz	WKQSURREPZQIGK-UHFFFAOYSA-N	-1	0	310.693	0.911	20	30		DCEDRM
C=CCN(CC(=O)OCC)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC001466160363	1016057877	/nfs/dbraw/zinc/05/78/77/1016057877.db2.gz	SJCFBRPAXDNYSS-UHFFFAOYSA-N	-1	0	300.340	0.180	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cc(C)c(C#N)cn1	ZINC001598892145	997013044	/nfs/dbraw/zinc/01/30/44/997013044.db2.gz	BFXGPOKMFXEVLV-SNVBAGLBSA-N	-1	0	305.290	0.398	20	30		DCEDRM
COC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H](C)O1	ZINC001598898625	997129485	/nfs/dbraw/zinc/12/94/85/997129485.db2.gz	UVKYRPCTIWJNLT-LEWSCRJBSA-N	-1	0	318.329	0.946	20	30		DCEDRM
C[C@]1(CCC(=O)[O-])NC(=O)N(CN2CC[C@@](F)(C#N)C2)C1=O	ZINC001594003159	997393323	/nfs/dbraw/zinc/39/33/23/997393323.db2.gz	QHUSBSQICQLDGJ-CHWSQXEVSA-N	-1	0	312.301	0.057	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])n(CN2CCC[C@](C)(C#N)C2)n1	ZINC001598921953	997583929	/nfs/dbraw/zinc/58/39/29/997583929.db2.gz	JVQCTOKZBSFLJR-CQSZACIVSA-N	-1	0	306.322	0.951	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)c2cc(C)c(C#N)cn2)[C@@H](C(=O)[O-])C1	ZINC001599121226	997742788	/nfs/dbraw/zinc/74/27/88/997742788.db2.gz	UIZQGALEKLNAQQ-DGCLKSJQSA-N	-1	0	303.318	0.966	20	30		DCEDRM
COc1c(C(=O)[O-])ncnc1N1C[C@H](C)N(CC#N)[C@@H](C)C1	ZINC001599330997	997748703	/nfs/dbraw/zinc/74/87/03/997748703.db2.gz	ARQUCGYMDCTSSY-UWVGGRQHSA-N	-1	0	305.338	0.606	20	30		DCEDRM
C[C@@]1(NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCOC1=O	ZINC001594061941	997857693	/nfs/dbraw/zinc/85/76/93/997857693.db2.gz	QBFVMADJJYKLHQ-CYBMUJFWSA-N	-1	0	324.314	0.240	20	30		DCEDRM
CO[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](C(=O)[O-])C1	ZINC001599127308	997875540	/nfs/dbraw/zinc/87/55/40/997875540.db2.gz	SHUVFMKJPDALKP-NWDGAFQWSA-N	-1	0	324.358	0.811	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2Cc3cccnc3C2)c(=O)[n-]c1=O	ZINC001467395923	1016162952	/nfs/dbraw/zinc/16/29/52/1016162952.db2.gz	SBTIOVIIXLPMRK-UHFFFAOYSA-N	-1	0	311.301	0.148	20	30		DCEDRM
COCC(=O)N(C)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001599141179	998132529	/nfs/dbraw/zinc/13/25/29/998132529.db2.gz	KBWVOWDWICSVKR-AWEZNQCLSA-N	-1	0	320.301	0.332	20	30		DCEDRM
COCC#CCOC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001599141438	998137690	/nfs/dbraw/zinc/13/76/90/998137690.db2.gz	NXFLELGEYLPTTM-UHFFFAOYSA-N	-1	0	307.302	0.959	20	30		DCEDRM
COCC(=O)NCCC(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001599142923	998163474	/nfs/dbraw/zinc/16/34/74/998163474.db2.gz	JTKSIEHEKBFFTL-UHFFFAOYSA-N	-1	0	320.301	0.452	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC1(C#N)CC1	ZINC001598970834	998511011	/nfs/dbraw/zinc/51/10/11/998511011.db2.gz	WEPPHSJBLQLKAR-UHFFFAOYSA-N	-1	0	324.314	0.506	20	30		DCEDRM
C[C@H]1CC(=O)Nc2ccc(C(=O)N(CC#N)CC(=O)[O-])cc2N1	ZINC001594198729	998769679	/nfs/dbraw/zinc/76/96/79/998769679.db2.gz	OUHRZLBJFQNMJC-VIFPVBQESA-N	-1	0	316.317	0.880	20	30		DCEDRM
CCCN1C[C@@H](CNC(=O)c2[n-]c(=O)c(C#N)cc2C)CC1=O	ZINC001469152004	1016314778	/nfs/dbraw/zinc/31/47/78/1016314778.db2.gz	NREPFEIHORQGEE-LLVKDONJSA-N	-1	0	316.361	0.956	20	30		DCEDRM
CO[C@@H]1CCC[C@@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001418536235	1000323580	/nfs/dbraw/zinc/32/35/80/1000323580.db2.gz	KMFKXBCVHJDCCY-ZYHUDNBSSA-N	-1	0	320.349	0.142	20	30		DCEDRM
CO[C@H]1CCC[C@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001418536233	1000324138	/nfs/dbraw/zinc/32/41/38/1000324138.db2.gz	KMFKXBCVHJDCCY-JQWIXIFHSA-N	-1	0	320.349	0.142	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C2Cc3ccccc3C2)c(=O)[n-]c1=O	ZINC001418537046	1000325102	/nfs/dbraw/zinc/32/51/02/1000325102.db2.gz	VRPVJJJDIGHWFN-UHFFFAOYSA-N	-1	0	324.340	0.352	20	30		DCEDRM
C=C(Cl)CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1	ZINC001418764526	1000502330	/nfs/dbraw/zinc/50/23/30/1000502330.db2.gz	WMFDQOSUSYZIRO-UHFFFAOYSA-N	-1	0	313.745	0.230	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc(Cl)[nH]2)c(=O)[n-]c1=O	ZINC001470366204	1016425027	/nfs/dbraw/zinc/42/50/27/1016425027.db2.gz	WCXFBWNKWCBAKQ-UHFFFAOYSA-N	-1	0	307.697	0.232	20	30		DCEDRM
CC(=O)CC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001470360007	1016425980	/nfs/dbraw/zinc/42/59/80/1016425980.db2.gz	ARIUTWVQXJMYPV-UHFFFAOYSA-N	-1	0	318.333	0.086	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCc2ccns2)c(=O)[n-]c1=O	ZINC001419091628	1000759834	/nfs/dbraw/zinc/75/98/34/1000759834.db2.gz	HORBNCQFRKJAKL-UHFFFAOYSA-N	-1	0	319.346	0.026	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC2(CC1)COCCO2	ZINC001471516610	1016590741	/nfs/dbraw/zinc/59/07/41/1016590741.db2.gz	FADRXJMEODRNOL-UHFFFAOYSA-N	-1	0	317.345	0.989	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCNC(=O)C(C)C	ZINC001545795595	1002929263	/nfs/dbraw/zinc/92/92/63/1002929263.db2.gz	KFXUBVUOIUKVDF-UHFFFAOYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
C[C@@H](O)C[C@H]1CCCCCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421123255	1003343793	/nfs/dbraw/zinc/34/37/93/1003343793.db2.gz	RVWAJPVTTMAYDF-GHMZBOCLSA-N	-1	0	306.366	0.465	20	30		DCEDRM
C[C@H](O)C[C@@H]1CCCCCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421123289	1003344464	/nfs/dbraw/zinc/34/44/64/1003344464.db2.gz	RVWAJPVTTMAYDF-QWRGUYRKSA-N	-1	0	306.366	0.465	20	30		DCEDRM
CCOc1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001417614692	1005851814	/nfs/dbraw/zinc/85/18/14/1005851814.db2.gz	KLIDDHBVXXHHSF-UHFFFAOYSA-N	-1	0	314.301	0.858	20	30		DCEDRM
CNC(=O)C1(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CCCC1	ZINC001417627591	1005854801	/nfs/dbraw/zinc/85/48/01/1005854801.db2.gz	HPEKXENBBFVHQS-UHFFFAOYSA-N	-1	0	302.334	0.756	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](O)COCC(C)C	ZINC001417670440	1005864385	/nfs/dbraw/zinc/86/43/85/1005864385.db2.gz	WEYDPKGDNQWYJI-GFCCVEGCSA-N	-1	0	307.350	0.731	20	30		DCEDRM
C=C(Cl)CN(C)CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001437478303	1007016782	/nfs/dbraw/zinc/01/67/82/1007016782.db2.gz	CUSUIEKPGUGILS-UHFFFAOYSA-N	-1	0	315.761	0.016	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1	ZINC001433850380	1009256260	/nfs/dbraw/zinc/25/62/60/1009256260.db2.gz	HTZQEIYXYQTKFT-JTQLQIEISA-N	-1	0	314.345	0.708	20	30		DCEDRM
CC(C)n1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001434208845	1009664797	/nfs/dbraw/zinc/66/47/97/1009664797.db2.gz	XFWHVVXGKFKYEH-UHFFFAOYSA-N	-1	0	316.321	0.028	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](CO)[C@H](O)c2cccnc2)cc1O	ZINC001434279109	1009718573	/nfs/dbraw/zinc/71/85/73/1009718573.db2.gz	RWDGTHFRZSFHPG-UKRRQHHQSA-N	-1	0	313.313	0.483	20	30		DCEDRM
N#Cc1c(N)sc2c1CCN(C(=O)c1c[n-]ncc1=O)C2	ZINC001434404251	1009908715	/nfs/dbraw/zinc/90/87/15/1009908715.db2.gz	LOMWZSQWZYXSIE-UHFFFAOYSA-N	-1	0	301.331	0.896	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2ccc3c(c2)COC(=O)N3)c(C#N)c1=O	ZINC001434449746	1009966646	/nfs/dbraw/zinc/96/66/46/1009966646.db2.gz	ZRIUJUUTRJJKHY-UHFFFAOYSA-N	-1	0	313.273	0.751	20	30		DCEDRM
CCCC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@@H](C)C#N	ZINC001443144449	1010170295	/nfs/dbraw/zinc/17/02/95/1010170295.db2.gz	UEYNWFBXDDRUAX-GXSJLCMTSA-N	-1	0	321.381	0.988	20	30		DCEDRM
Cc1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc(C)c1C#N	ZINC001443445131	1010410365	/nfs/dbraw/zinc/41/03/65/1010410365.db2.gz	WECBCSPHFLNIIZ-CYBMUJFWSA-N	-1	0	312.333	0.902	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@@]1(C)CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001423681699	1011416617	/nfs/dbraw/zinc/41/66/17/1011416617.db2.gz	LGLLCVZQKHUYRT-IINYFYTJSA-N	-1	0	306.370	0.388	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H]2CN(C)C(=O)[C@@H](C)C#N)c1[O-]	ZINC001423721830	1011451318	/nfs/dbraw/zinc/45/13/18/1011451318.db2.gz	HUCMIZFMNJFTAO-ONGXEEELSA-N	-1	0	319.365	0.646	20	30		DCEDRM
C#Cc1ccc(C(=O)Nc2nn3c([n-]2)nc(CC)cc3=O)nc1	ZINC001533839097	1011501278	/nfs/dbraw/zinc/50/12/78/1011501278.db2.gz	IYVUBGIQKUQUIV-UHFFFAOYSA-N	-1	0	308.301	0.609	20	30		DCEDRM
Cc1cccnc1[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001457138224	1011597907	/nfs/dbraw/zinc/59/79/07/1011597907.db2.gz	MWJCHHWPTSNZFN-SNVBAGLBSA-N	-1	0	313.317	0.401	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cn(C2CCOCC2)nn1	ZINC001515158133	1017104017	/nfs/dbraw/zinc/10/40/17/1017104017.db2.gz	IGEHAJSEEWRJBP-GFCCVEGCSA-N	-1	0	317.349	0.574	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2ccc(OCCO)cc2)c(C#N)c1=O	ZINC001458184897	1012101980	/nfs/dbraw/zinc/10/19/80/1012101980.db2.gz	UEJYKGWHPNBRQU-UHFFFAOYSA-N	-1	0	302.290	0.060	20	30		DCEDRM
C=CCO[N-]C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O	ZINC001556633677	1012215432	/nfs/dbraw/zinc/21/54/32/1012215432.db2.gz	PIABFVMNNOMELU-UHFFFAOYSA-N	-1	0	305.265	0.721	20	30		DCEDRM
N#C[C@@]1(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCSC1	ZINC001542734785	1012490737	/nfs/dbraw/zinc/49/07/37/1012490737.db2.gz	AKUJZKONDOQSCC-ZDUSSCGKSA-N	-1	0	315.362	0.204	20	30		DCEDRM
COCCOc1ccc(C#N)cc1NC(=O)NCC(=O)[N-]OC	ZINC001562614380	1012495959	/nfs/dbraw/zinc/49/59/59/1012495959.db2.gz	AUTHJXAJYZDSRB-UHFFFAOYSA-N	-1	0	322.321	0.383	20	30		DCEDRM
CC1(C)CCc2onc(Cn3c(=O)[n-]cc(C#N)c3=O)c2C1	ZINC001459133965	1012588269	/nfs/dbraw/zinc/58/82/69/1012588269.db2.gz	AWFRHAYOLZMNKI-UHFFFAOYSA-N	-1	0	300.318	0.959	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC(CNC(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC001446801548	1012995954	/nfs/dbraw/zinc/99/59/54/1012995954.db2.gz	WCEGRVBALCESMS-VIFPVBQESA-N	-1	0	319.365	0.552	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1	ZINC001479463735	1017562304	/nfs/dbraw/zinc/56/23/04/1017562304.db2.gz	RASPWALEOBNCMT-CYBMUJFWSA-N	-1	0	318.333	0.319	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(CC)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001496711071	1019561529	/nfs/dbraw/zinc/56/15/29/1019561529.db2.gz	BRWVTXNCLRZKDC-OAHLLOKOSA-N	-1	0	324.381	0.329	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCO[C@@H](C#N)C2)oc1C(=O)[O-]	ZINC001607703026	1170498317	/nfs/dbraw/zinc/49/83/17/1170498317.db2.gz	SAJYKQBZBLIKJD-QMMMGPOBSA-N	-1	0	300.292	0.199	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1	ZINC001609320642	1170935134	/nfs/dbraw/zinc/93/51/34/1170935134.db2.gz	VGTPOCCNEJGMLZ-SECBINFHSA-N	-1	0	315.347	0.609	20	30		DCEDRM
N#Cc1nc(NC(=O)CCCNC(=O)c2cccnc2)[n-]c1C#N	ZINC000155076407	237037722	/nfs/dbraw/zinc/03/77/22/237037722.db2.gz	DVAZCKUQMHEKID-UHFFFAOYSA-N	-1	0	323.316	0.697	20	30		DCEDRM
Cc1cc(C(=O)N[C@@]2(C#N)CCOC2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000358474309	239048858	/nfs/dbraw/zinc/04/88/58/239048858.db2.gz	LQTPSYOWDDMAEV-CQSZACIVSA-N	-1	0	315.289	0.157	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424392632	240257521	/nfs/dbraw/zinc/25/75/21/240257521.db2.gz	PXTCAXVMVYYPJS-UHFFFAOYSA-N	-1	0	321.399	0.184	20	30		DCEDRM
C[C@H]1Cc2ccccc2N1C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000567859914	291384960	/nfs/dbraw/zinc/38/49/60/291384960.db2.gz	TZMMTZUGKRDTPR-JTQLQIEISA-N	-1	0	310.313	0.386	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnn([C@H]2CCOC2)c1	ZINC000275195085	212186173	/nfs/dbraw/zinc/18/61/73/212186173.db2.gz	AKMNQJOGFUFXKU-JTQLQIEISA-N	-1	0	315.351	0.106	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CCN(C(=O)c3ccccc3)C2)c1=O	ZINC000568392756	291426603	/nfs/dbraw/zinc/42/66/03/291426603.db2.gz	BGRDXZTXTGNODG-LBPRGKRZSA-N	-1	0	324.340	0.571	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC(=O)[O-])c(C(F)(F)F)c1	ZINC000340234290	253222877	/nfs/dbraw/zinc/22/28/77/253222877.db2.gz	IMTFNRNOGAJPHO-UHFFFAOYSA-N	-1	0	308.237	0.940	20	30		DCEDRM
COC(=O)Cn1ncc([N-]S(=O)(=O)c2ccc(C#N)o2)c1C	ZINC000340967368	253329097	/nfs/dbraw/zinc/32/90/97/253329097.db2.gz	AJGLXIZVIKPNEK-UHFFFAOYSA-N	-1	0	324.318	0.630	20	30		DCEDRM
CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C#N)o2)cn1	ZINC000340973588	253330734	/nfs/dbraw/zinc/33/07/34/253330734.db2.gz	YQMWOERPPLPTLS-UHFFFAOYSA-N	-1	0	323.334	0.237	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2)o1	ZINC000342441332	253495704	/nfs/dbraw/zinc/49/57/04/253495704.db2.gz	DIXLOZBVDGJVCX-UHFFFAOYSA-N	-1	0	316.302	0.928	20	30		DCEDRM
O=C(NCC#Cc1ccccc1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000047404049	395791434	/nfs/dbraw/zinc/79/14/34/395791434.db2.gz	DISYNZMNLPQGCD-UHFFFAOYSA-N	-1	0	320.308	0.805	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)C[C@H]1C(=O)[O-]	ZINC000230327382	395880852	/nfs/dbraw/zinc/88/08/52/395880852.db2.gz	DBKLMBVSDAVDRG-VXNVDRBHSA-N	-1	0	300.361	0.961	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000158588005	396064914	/nfs/dbraw/zinc/06/49/14/396064914.db2.gz	TYJDNYZSYRNBIE-SECBINFHSA-N	-1	0	318.738	0.590	20	30		DCEDRM
COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)N1CCCC1)C(C)C	ZINC000066729877	396013846	/nfs/dbraw/zinc/01/38/46/396013846.db2.gz	HTIDNALWYVKFAE-VIFPVBQESA-N	-1	0	307.372	0.664	20	30		DCEDRM
Cc1nc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)ccc1C#N	ZINC000262460887	396142550	/nfs/dbraw/zinc/14/25/50/396142550.db2.gz	VUZHLJABBNXYLA-BLLLJJGKSA-N	-1	0	315.329	0.825	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@]2(O)CCOC2)c(F)c1	ZINC000178984932	396217728	/nfs/dbraw/zinc/21/77/28/396217728.db2.gz	MXHKHXDVORRZRT-GFCCVEGCSA-N	-1	0	318.301	0.266	20	30		DCEDRM
CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000287709981	396418389	/nfs/dbraw/zinc/41/83/89/396418389.db2.gz	XZTFGJGILJJTDB-NEPJUHHUSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CSCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)o1	ZINC000594681982	396496810	/nfs/dbraw/zinc/49/68/10/396496810.db2.gz	QZUCDQIFTAOLLQ-UHFFFAOYSA-N	-1	0	304.349	0.590	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)C(=O)N1CCC(CC#N)CC1)C(=O)[O-]	ZINC000594546866	396486110	/nfs/dbraw/zinc/48/61/10/396486110.db2.gz	XUNLSAFYZFREKI-GFCCVEGCSA-N	-1	0	309.366	0.612	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000594573189	396487859	/nfs/dbraw/zinc/48/78/59/396487859.db2.gz	JFRKFGTYFZJJDI-VIFPVBQESA-N	-1	0	304.274	0.788	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H]1C[C@@H](CCC(=O)[O-])C1(C)C	ZINC000594848911	396527729	/nfs/dbraw/zinc/52/77/29/396527729.db2.gz	YLBJYTARDCUEBE-MNOVXSKESA-N	-1	0	317.411	0.946	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-]	ZINC000581407714	396551776	/nfs/dbraw/zinc/55/17/76/396551776.db2.gz	SNWAYYNDRBOZEC-AXFHLTTASA-N	-1	0	301.368	0.262	20	30		DCEDRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)o2)[nH]n1	ZINC000581510207	396560797	/nfs/dbraw/zinc/56/07/97/396560797.db2.gz	JKQNCHIFFQSFRO-UHFFFAOYSA-N	-1	0	310.291	0.852	20	30		DCEDRM
C=CCCSCCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000595276123	396576588	/nfs/dbraw/zinc/57/65/88/396576588.db2.gz	MVSHAALRAJMELQ-UHFFFAOYSA-N	-1	0	314.407	0.735	20	30		DCEDRM
N#Cc1ccc(N2CC[C@H](C(=O)NCc3nnn[n-]3)C2)c(F)c1	ZINC000587405759	396671222	/nfs/dbraw/zinc/67/12/22/396671222.db2.gz	YFHQWERVUHJWQL-JTQLQIEISA-N	-1	0	315.312	0.353	20	30		DCEDRM
Cn1ncc([N-]S(=O)(=O)c2cncc(C#N)c2)c1C(=O)[O-]	ZINC000589554896	396718621	/nfs/dbraw/zinc/71/86/21/396718621.db2.gz	FXQJLZAWQLUAJO-UHFFFAOYSA-N	-1	0	307.291	0.186	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1[O-]	ZINC000590416764	396775060	/nfs/dbraw/zinc/77/50/60/396775060.db2.gz	MKQLAVDPJCPOEY-LLVKDONJSA-N	-1	0	313.317	0.984	20	30		DCEDRM
COC[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000564397136	396830309	/nfs/dbraw/zinc/83/03/09/396830309.db2.gz	ULVFHTRXFJCLPD-JTQLQIEISA-N	-1	0	302.283	0.075	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)[N-][C@@H]1COCCC1=O	ZINC000625492022	396893308	/nfs/dbraw/zinc/89/33/08/396893308.db2.gz	OVDJTBYOEUIWAE-GFCCVEGCSA-N	-1	0	312.322	0.475	20	30		DCEDRM
CO[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)[C@@](C)(C(=O)[O-])C1	ZINC000600655835	396907111	/nfs/dbraw/zinc/90/71/11/396907111.db2.gz	ANBZPDDIIBZSKX-JBLDHEPKSA-N	-1	0	319.383	0.029	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC000600661481	396908756	/nfs/dbraw/zinc/90/87/56/396908756.db2.gz	YWETWOXFSOBLRC-JGVFFNPUSA-N	-1	0	311.310	0.117	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@]1(C)COc2ccccc2O1)C(=O)[O-]	ZINC000630185634	396955784	/nfs/dbraw/zinc/95/57/84/396955784.db2.gz	FCQRQSDSEISJDO-BZNIZROVSA-N	-1	0	321.329	0.989	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@]1(C)COc2ccccc2O1)C(=O)[O-]	ZINC000630185636	396955936	/nfs/dbraw/zinc/95/59/36/396955936.db2.gz	FCQRQSDSEISJDO-ZBEGNZNMSA-N	-1	0	321.329	0.989	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)[O-]	ZINC000600872715	396960048	/nfs/dbraw/zinc/96/00/48/396960048.db2.gz	JSQFEBUNKMHILY-SNVBAGLBSA-N	-1	0	309.278	0.292	20	30		DCEDRM
CCC(CC)(CNC(=O)C(=O)N1CC[C@](F)(C#N)C1)C(=O)[O-]	ZINC000591692013	396978609	/nfs/dbraw/zinc/97/86/09/396978609.db2.gz	JOUCLRJCYVUXKC-AWEZNQCLSA-N	-1	0	313.329	0.458	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@@H]1C(=O)[O-]	ZINC000572761961	397092622	/nfs/dbraw/zinc/09/26/22/397092622.db2.gz	OHEHRDPWIMOKJU-KOLCDFICSA-N	-1	0	316.317	0.461	20	30		DCEDRM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1n[nH]cc1C#N	ZINC000619507283	397142429	/nfs/dbraw/zinc/14/24/29/397142429.db2.gz	ZBNGQMWVMGBTLD-UHFFFAOYSA-N	-1	0	323.290	0.999	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])c(F)c1	ZINC000592440641	397179324	/nfs/dbraw/zinc/17/93/24/397179324.db2.gz	RPOXCOZEEZGLTA-UHFFFAOYSA-N	-1	0	307.281	0.295	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-]	ZINC000362129082	397168541	/nfs/dbraw/zinc/16/85/41/397168541.db2.gz	JTHKWFUYEQBFKW-TUAOUCFPSA-N	-1	0	315.395	0.794	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000362129087	397168550	/nfs/dbraw/zinc/16/85/50/397168550.db2.gz	JTHKWFUYEQBFKW-UTUOFQBUSA-N	-1	0	315.395	0.794	20	30		DCEDRM
N#Cc1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1Cl	ZINC000619781102	397192072	/nfs/dbraw/zinc/19/20/72/397192072.db2.gz	UCALKJLWBVONDL-UHFFFAOYSA-N	-1	0	305.681	0.738	20	30		DCEDRM
C[C@@H]1CCC[C@@H](N(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602053830	397291728	/nfs/dbraw/zinc/29/17/28/397291728.db2.gz	CQVBCAUSVAXPNZ-ZYHUDNBSSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CC(C)(C)[C@@H]1CCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602094372	397298175	/nfs/dbraw/zinc/29/81/75/397298175.db2.gz	SMGZNWCPVULZSV-NSHDSACASA-N	-1	0	304.350	0.858	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-]	ZINC000593273111	397347584	/nfs/dbraw/zinc/34/75/84/397347584.db2.gz	PNMMDMVYBAJQKP-CMPLNLGQSA-N	-1	0	317.411	0.803	20	30		DCEDRM
N#Cc1cccc(N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)n1	ZINC000593326859	397351348	/nfs/dbraw/zinc/35/13/48/397351348.db2.gz	KHGJYNFGYOHHPS-NSHDSACASA-N	-1	0	314.345	0.855	20	30		DCEDRM
N#Cc1cc(N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)ccn1	ZINC000593328654	397352538	/nfs/dbraw/zinc/35/25/38/397352538.db2.gz	RYVQUDYHEDQYTI-NSHDSACASA-N	-1	0	314.345	0.855	20	30		DCEDRM
Cc1ccc2c(c1)CCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C2	ZINC000602147470	397322404	/nfs/dbraw/zinc/32/24/04/397322404.db2.gz	IDESHQMRBDAQJA-UHFFFAOYSA-N	-1	0	324.340	0.714	20	30		DCEDRM
CC1(C)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C1CC1	ZINC000602155057	397326542	/nfs/dbraw/zinc/32/65/42/397326542.db2.gz	XQZNQFHJXDHBFV-CYBMUJFWSA-N	-1	0	316.361	0.858	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C	ZINC000495753851	397556254	/nfs/dbraw/zinc/55/62/54/397556254.db2.gz	HMFRVXWFLCPBDO-UHFFFAOYSA-N	-1	0	306.384	0.923	20	30		DCEDRM
CC1(C)CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@H]1C(=O)[O-]	ZINC000579448272	397568067	/nfs/dbraw/zinc/56/80/67/397568067.db2.gz	AQGMENHHGDTMJT-NSHDSACASA-N	-1	0	309.347	0.827	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)OCC)C1	ZINC000495999816	397568148	/nfs/dbraw/zinc/56/81/48/397568148.db2.gz	YMXDVZKIYKHFKL-NSHDSACASA-N	-1	0	316.379	0.324	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000579461503	397569238	/nfs/dbraw/zinc/56/92/38/397569238.db2.gz	AABQWPGDYNZQOJ-UHFFFAOYSA-N	-1	0	320.345	0.961	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ncn(-c3ccccc3)n2)[n-]c1C#N	ZINC000153178975	287047547	/nfs/dbraw/zinc/04/75/47/287047547.db2.gz	QWIRNKAJHNBFDN-UHFFFAOYSA-N	-1	0	304.273	0.986	20	30		DCEDRM
CCN(CCC#N)C(=O)CN1CCCC[C@@H]1c1n[nH]c(=O)[n-]1	ZINC000331329591	416306377	/nfs/dbraw/zinc/30/63/77/416306377.db2.gz	OCPOAJRXSXGYPM-LLVKDONJSA-N	-1	0	306.370	0.799	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000422644903	416443754	/nfs/dbraw/zinc/44/37/54/416443754.db2.gz	QWGNZPSSPYOCOO-NEPJUHHUSA-N	-1	0	322.292	0.922	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1C#N	ZINC000422654744	416445349	/nfs/dbraw/zinc/44/53/49/416445349.db2.gz	OLEXZGDFEWXKPP-JTQLQIEISA-N	-1	0	301.302	0.738	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000422679066	416448686	/nfs/dbraw/zinc/44/86/86/416448686.db2.gz	RFXLDBBILRPDPD-SECBINFHSA-N	-1	0	319.292	0.959	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cn1	ZINC000438240243	416595907	/nfs/dbraw/zinc/59/59/07/416595907.db2.gz	YYPNBMVAQPAEDY-UHFFFAOYSA-N	-1	0	321.318	0.274	20	30		DCEDRM
C#C[C@@H](CCC)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000491632449	416607897	/nfs/dbraw/zinc/60/78/97/416607897.db2.gz	OUWCLXGCNKSAPR-QMMMGPOBSA-N	-1	0	322.346	0.516	20	30		DCEDRM
C=CCC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424398524	416640632	/nfs/dbraw/zinc/64/06/32/416640632.db2.gz	OCVGCTGXBWGYDS-SNVBAGLBSA-N	-1	0	318.395	0.482	20	30		DCEDRM
CCC(CC)(CNC(=O)C(=O)NCC1(CC#N)CC1)C(=O)[O-]	ZINC000424485938	416656599	/nfs/dbraw/zinc/65/65/99/416656599.db2.gz	GWIUXYGDUGEZHZ-UHFFFAOYSA-N	-1	0	309.366	0.804	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(C(=O)[O-])o1	ZINC000521882706	417032938	/nfs/dbraw/zinc/03/29/38/417032938.db2.gz	MPFUBNJRHZBRBV-MRVPVSSYSA-N	-1	0	301.324	0.404	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C)CCCC(=O)[O-]	ZINC000569815073	417295403	/nfs/dbraw/zinc/29/54/03/417295403.db2.gz	OFSRFABSWABMEE-QWRGUYRKSA-N	-1	0	305.400	0.946	20	30		DCEDRM
C=CCSCCNS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC000572153134	417455999	/nfs/dbraw/zinc/45/59/99/417455999.db2.gz	DVTZIGYLIFHAQO-UHFFFAOYSA-N	-1	0	302.377	0.977	20	30		DCEDRM
CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000573005587	417465882	/nfs/dbraw/zinc/46/58/82/417465882.db2.gz	UOTFBTMCTMDNMI-DCAQKATOSA-N	-1	0	305.400	0.754	20	30		DCEDRM
CO[C@H](Cc1ccc(F)cc1)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000530111864	417540299	/nfs/dbraw/zinc/54/02/99/417540299.db2.gz	DEBHSWZFDCRZPL-CYBMUJFWSA-N	-1	0	303.293	0.805	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)NCC1(C(=O)[O-])CC1	ZINC000575185527	417520327	/nfs/dbraw/zinc/52/03/27/417520327.db2.gz	BBMFDPLIGYOJJZ-UHFFFAOYSA-N	-1	0	312.322	0.982	20	30		DCEDRM
CC(=O)c1c(C)[nH]c(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)c1C	ZINC000577111055	417664131	/nfs/dbraw/zinc/66/41/31/417664131.db2.gz	TZCHVMOHGJPCMI-UHFFFAOYSA-N	-1	0	314.301	0.439	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000646046932	417863136	/nfs/dbraw/zinc/86/31/36/417863136.db2.gz	JPZJFVYUFDPULZ-VIFPVBQESA-N	-1	0	304.324	0.226	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000663634180	418041573	/nfs/dbraw/zinc/04/15/73/418041573.db2.gz	DCHBUXCHSBKAGQ-LBPRGKRZSA-N	-1	0	312.366	0.265	20	30		DCEDRM
Cc1nn(C)c(C)c1C(=O)C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000648433876	418137461	/nfs/dbraw/zinc/13/74/61/418137461.db2.gz	RXYPPPRCCPIINL-UHFFFAOYSA-N	-1	0	300.322	0.194	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000649187306	418207162	/nfs/dbraw/zinc/20/71/62/418207162.db2.gz	NSEURYNYLJJJEG-SECBINFHSA-N	-1	0	316.317	0.249	20	30		DCEDRM
C=CCn1cc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)nn1	ZINC000649244471	418213304	/nfs/dbraw/zinc/21/33/04/418213304.db2.gz	IMACTNCRCJMUFK-NSHDSACASA-N	-1	0	308.338	0.560	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1nc(C2CC2)nn1C)C(=O)[O-]	ZINC000649251170	418215194	/nfs/dbraw/zinc/21/51/94/418215194.db2.gz	NGVQIKBWNAKZBC-JTQLQIEISA-N	-1	0	308.338	0.007	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCC[C@H](OC)C2)nn1	ZINC000656246761	418337940	/nfs/dbraw/zinc/33/79/40/418337940.db2.gz	WOXHMXICYAEDRF-GVXVVHGQSA-N	-1	0	322.365	0.852	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCCO[C@H]1CC1(F)F)C(=O)[O-]	ZINC000656590313	418365513	/nfs/dbraw/zinc/36/55/13/418365513.db2.gz	AOYVQXCNQZKBDZ-BDAKNGLRSA-N	-1	0	308.281	0.366	20	30		DCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cnn(CCOC)c1	ZINC000438239728	267261795	/nfs/dbraw/zinc/26/17/95/267261795.db2.gz	SIBPBPQWFTVFEG-UHFFFAOYSA-N	-1	0	324.366	0.418	20	30		DCEDRM
CN(C)c1noc(C[N-]S(=O)(=O)c2ccc(C#N)s2)n1	ZINC000435438462	267296305	/nfs/dbraw/zinc/29/63/05/267296305.db2.gz	OINHXMHUMOWDRU-UHFFFAOYSA-N	-1	0	313.364	0.547	20	30		DCEDRM
COC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC000437316647	267371205	/nfs/dbraw/zinc/37/12/05/267371205.db2.gz	WPIGHIUVKXHEMZ-UHFFFAOYSA-N	-1	0	321.318	0.124	20	30		DCEDRM
Cn1[n-]nnc1=N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000521013679	268108808	/nfs/dbraw/zinc/10/88/08/268108808.db2.gz	SSKFOMSHHOFLAU-NSHDSACASA-N	-1	0	301.329	0.724	20	30		DCEDRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)[nH]n1	ZINC000547305206	288037548	/nfs/dbraw/zinc/03/75/48/288037548.db2.gz	WGBSHQMBWQBRRQ-UHFFFAOYSA-N	-1	0	321.318	0.654	20	30		DCEDRM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(C(=O)[O-])C1	ZINC000547891439	288088976	/nfs/dbraw/zinc/08/89/76/288088976.db2.gz	MFJOTWAJOMPQTL-UHFFFAOYSA-N	-1	0	311.275	0.172	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c(F)c1	ZINC000550938235	288221132	/nfs/dbraw/zinc/22/11/32/288221132.db2.gz	SWLCVZWPYARTIG-JTQLQIEISA-N	-1	0	314.294	0.171	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cn1	ZINC000275765635	303198606	/nfs/dbraw/zinc/19/86/06/303198606.db2.gz	SIFPCQNSDCQFBM-TVYUQYBPSA-N	-1	0	321.358	0.827	20	30		DCEDRM
Cc1c([C@@H](NS(=O)(=O)CCCC#N)C(=O)[O-])cnn1C	ZINC000530541843	331585610	/nfs/dbraw/zinc/58/56/10/331585610.db2.gz	AYJWYAZYORTZFS-SNVBAGLBSA-N	-1	0	300.340	0.077	20	30		DCEDRM
CCC[C@@H]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)[C@@H]1C(=O)[O-]	ZINC000566312162	332335183	/nfs/dbraw/zinc/33/51/83/332335183.db2.gz	OTYLBOCYKSTWKU-UTUOFQBUSA-N	-1	0	317.411	0.898	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000570284141	332735307	/nfs/dbraw/zinc/73/53/07/332735307.db2.gz	CQOYHWXHJYYQGF-CYBMUJFWSA-N	-1	0	306.343	0.844	20	30		DCEDRM
CSc1nn(CC(=O)Nc2ccc(CC#N)cc2)c(=O)[n-]1	ZINC000188162506	333160824	/nfs/dbraw/zinc/16/08/24/333160824.db2.gz	YMOJMWVGHZDZGX-UHFFFAOYSA-N	-1	0	303.347	0.998	20	30		DCEDRM
Cc1ccc(-n2[n-]c(C(=O)N3CCO[C@@H](C#N)C3)cc2=O)cc1	ZINC000330971908	334825405	/nfs/dbraw/zinc/82/54/05/334825405.db2.gz	UIBZJSBSHHLDBF-ZDUSSCGKSA-N	-1	0	312.329	0.839	20	30		DCEDRM
COCc1nc2n(n1)C[C@@H](NC(=O)N=c1cn[n-]s1)CC2	ZINC000330218890	336125572	/nfs/dbraw/zinc/12/55/72/336125572.db2.gz	JTVMZDVMZOPWNH-ZETCQYMHSA-N	-1	0	309.355	0.617	20	30		DCEDRM
C#CCCCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000177347759	337156811	/nfs/dbraw/zinc/15/68/11/337156811.db2.gz	PBKVUJDQSKGIJH-UHFFFAOYSA-N	-1	0	300.318	0.865	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(CC)C[C@H](C)C(=O)[O-]	ZINC000571689362	337567525	/nfs/dbraw/zinc/56/75/25/337567525.db2.gz	PVXSRGHIWZHRLM-MNOVXSKESA-N	-1	0	305.400	0.755	20	30		DCEDRM
C=CCn1cc(CNC(=O)NC2CCC(C(=O)[O-])CC2)nn1	ZINC000580435354	337674943	/nfs/dbraw/zinc/67/49/43/337674943.db2.gz	WBIKWCQTBHHZIB-UHFFFAOYSA-N	-1	0	307.354	0.907	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000422699218	337683503	/nfs/dbraw/zinc/68/35/03/337683503.db2.gz	COBNSLARMWGHMA-VXGBXAGGSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000424490605	337840839	/nfs/dbraw/zinc/84/08/39/337840839.db2.gz	WIMXVWILZPBCRB-ZIBATOQPSA-N	-1	0	310.350	0.017	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000433969155	338205839	/nfs/dbraw/zinc/20/58/39/338205839.db2.gz	ZMOYYGFEGRVQDI-ZDUSSCGKSA-N	-1	0	303.278	0.094	20	30		DCEDRM
C#CCNC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC000491746378	339878202	/nfs/dbraw/zinc/87/82/02/339878202.db2.gz	VBXWDEIUTRNODF-OLZOCXBDSA-N	-1	0	315.329	0.346	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(NC(=O)OC(C)(C)C)CC1	ZINC000496124441	339998779	/nfs/dbraw/zinc/99/87/79/339998779.db2.gz	QITNKAVQSLGDPK-UHFFFAOYSA-N	-1	0	316.379	0.513	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(N2CCOC2=O)c1	ZINC000496761127	340012256	/nfs/dbraw/zinc/01/22/56/340012256.db2.gz	XJKZSMSOZLWTQX-UHFFFAOYSA-N	-1	0	322.342	0.726	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-]	ZINC000543784760	341058636	/nfs/dbraw/zinc/05/86/36/341058636.db2.gz	DGOXEZTZMPANFC-JTQLQIEISA-N	-1	0	324.314	0.678	20	30		DCEDRM
N#CCNC(=O)CNC(=O)c1cccc(Br)c1[O-]	ZINC000553428813	341428821	/nfs/dbraw/zinc/42/88/21/341428821.db2.gz	XHXYBRVVUPTBQU-UHFFFAOYSA-N	-1	0	312.123	0.524	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-]	ZINC000565735358	341536614	/nfs/dbraw/zinc/53/66/14/341536614.db2.gz	MLQLMVSUXCCRPR-NSHDSACASA-N	-1	0	300.336	0.788	20	30		DCEDRM
C=CCC[C@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)[O-]	ZINC000567238516	341590601	/nfs/dbraw/zinc/59/06/01/341590601.db2.gz	OGEYMURKHIXRKS-UWVGGRQHSA-N	-1	0	324.299	0.785	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC000573115804	341717525	/nfs/dbraw/zinc/71/75/25/341717525.db2.gz	PMCQCTPSLCELBB-CABZTGNLSA-N	-1	0	312.347	0.649	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H](CF)C(=O)[O-])c1	ZINC001601102426	1159780595	/nfs/dbraw/zinc/78/05/95/1159780595.db2.gz	CGURDTIQZFETTO-JTQLQIEISA-N	-1	0	304.274	0.539	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C#N	ZINC000134706797	534369120	/nfs/dbraw/zinc/36/91/20/534369120.db2.gz	VLEHIEZCUAAXQS-HTQZYQBOSA-N	-1	0	315.376	0.900	20	30		DCEDRM
COC[C@@H](O)CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000130409985	522391858	/nfs/dbraw/zinc/39/18/58/522391858.db2.gz	UDZNCQNFEOPWJU-VIFPVBQESA-N	-1	0	320.317	0.512	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000262926896	526808513	/nfs/dbraw/zinc/80/85/13/526808513.db2.gz	GQXZSRTYMOFJAV-NSHDSACASA-N	-1	0	307.302	0.843	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000297026886	527081102	/nfs/dbraw/zinc/08/11/02/527081102.db2.gz	HEXRLGQGFKVARU-GHMZBOCLSA-N	-1	0	300.355	0.986	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c1	ZINC000262107677	527453908	/nfs/dbraw/zinc/45/39/08/527453908.db2.gz	MKLYQOAKXVTSTQ-OLZOCXBDSA-N	-1	0	300.314	0.833	20	30		DCEDRM
C=CCC[C@H](NC(=O)CNC(=O)COc1ccccc1)C(=O)[O-]	ZINC000263036511	527475560	/nfs/dbraw/zinc/47/55/60/527475560.db2.gz	ZHHDZNLVFDBQOO-ZDUSSCGKSA-N	-1	0	320.345	0.717	20	30		DCEDRM
C=CCN(C)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000355918060	527561576	/nfs/dbraw/zinc/56/15/76/527561576.db2.gz	JJNXVTXBPREWQN-UHFFFAOYSA-N	-1	0	304.318	0.888	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc2c1OCCO2	ZINC000275402461	527583657	/nfs/dbraw/zinc/58/36/57/527583657.db2.gz	ZBPIPPJLICMIID-UHFFFAOYSA-N	-1	0	313.331	0.719	20	30		DCEDRM
C=CCCCCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000516877787	546280448	/nfs/dbraw/zinc/28/04/48/546280448.db2.gz	MRXQFSAZWYOGFU-LLVKDONJSA-N	-1	0	318.395	0.626	20	30		DCEDRM
COCCn1cc([C@H]2[C@@H](C(=O)NO)CC(=O)N2C(C)(C)C)cn1	ZINC000671995858	547309925	/nfs/dbraw/zinc/30/99/25/547309925.db2.gz	LAXNQFSFDDTGQS-AAEUAGOBSA-N	-1	0	324.381	0.723	20	30		DCEDRM
CN(CC(=O)[O-])CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1	ZINC000737988312	596903065	/nfs/dbraw/zinc/90/30/65/596903065.db2.gz	NHMBADDMQSDXKL-JTQLQIEISA-N	-1	0	314.301	0.528	20	30		DCEDRM
CC[C@@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)C(=O)[O-]	ZINC000818269685	597223740	/nfs/dbraw/zinc/22/37/40/597223740.db2.gz	JHEJDZYKPZJQEP-LLVKDONJSA-N	-1	0	305.290	0.507	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)CC(=O)NCCCC(=O)[O-])cc1	ZINC000819100545	597275606	/nfs/dbraw/zinc/27/56/06/597275606.db2.gz	OEAIADFUPRHISF-UHFFFAOYSA-N	-1	0	324.358	0.454	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2CCCC[C@H]2C(=O)[O-])cc1	ZINC000821329913	597458121	/nfs/dbraw/zinc/45/81/21/597458121.db2.gz	OASNWYIBMVIUOS-ZDUSSCGKSA-N	-1	0	315.329	0.754	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000817753367	597466596	/nfs/dbraw/zinc/46/65/96/597466596.db2.gz	UNXPENVXUCDXEO-JTQLQIEISA-N	-1	0	324.358	0.405	20	30		DCEDRM
C[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C(=O)[O-]	ZINC000818022546	597516519	/nfs/dbraw/zinc/51/65/19/597516519.db2.gz	KJEPULAEVHHCOS-JTQLQIEISA-N	-1	0	319.317	0.897	20	30		DCEDRM
CC[C@@H]1CN(C(C)=O)CC[C@H]1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820297092	597604308	/nfs/dbraw/zinc/60/43/08/597604308.db2.gz	LXURPQYWTRHRRB-JMSVASOKSA-N	-1	0	309.366	0.754	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)N1CCOC[C@H]1C1CC1	ZINC000819864740	597622984	/nfs/dbraw/zinc/62/29/84/597622984.db2.gz	CUSAXSTXXBWXSK-XHDPSFHLSA-N	-1	0	324.333	0.172	20	30		DCEDRM
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820673055	597629398	/nfs/dbraw/zinc/62/93/98/597629398.db2.gz	LSSBNUHHQRGEHH-LRDDRELGSA-N	-1	0	318.329	0.891	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2cnccn2)CC1	ZINC000819824474	597632762	/nfs/dbraw/zinc/63/27/62/597632762.db2.gz	YFDJUTFAXFNUOH-AWEZNQCLSA-N	-1	0	303.322	0.130	20	30		DCEDRM
CC(C)C(=O)N1CCC(NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819955103	597633650	/nfs/dbraw/zinc/63/36/50/597633650.db2.gz	ILCPQLLSWXVCGL-HNNXBMFYSA-N	-1	0	309.366	0.754	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC1CCN(CC(F)F)CC1	ZINC000819821436	597639105	/nfs/dbraw/zinc/63/91/05/597639105.db2.gz	GNYJMCZLESQUBI-CYBMUJFWSA-N	-1	0	303.309	0.837	20	30		DCEDRM
COc1cccc([C@@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000820865403	597646296	/nfs/dbraw/zinc/64/62/96/597646296.db2.gz	NJCJSJRCYOEEQE-WFASDCNBSA-N	-1	0	306.318	0.849	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H]1N1CCOCC1	ZINC000820297146	597651421	/nfs/dbraw/zinc/65/14/21/597651421.db2.gz	NLNDDLSJMDOMKT-DVOMOZLQSA-N	-1	0	323.393	0.560	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](Cn2ccnn2)C1	ZINC000819811273	597657974	/nfs/dbraw/zinc/65/79/74/597657974.db2.gz	MPDQURUOIFVOSF-SMDDNHRTSA-N	-1	0	305.338	0.521	20	30		DCEDRM
Cc1cc2c(c(C)c1)NC(=O)C2=NOCC(=O)NCC(=O)[O-]	ZINC000820968090	597760699	/nfs/dbraw/zinc/76/06/99/597760699.db2.gz	LHNQWYYCHFMSNR-UHFFFAOYSA-N	-1	0	305.290	0.177	20	30		DCEDRM
COC[C@H](C#N)OC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000820710576	597841658	/nfs/dbraw/zinc/84/16/58/597841658.db2.gz	PMZALJLPHCSAEY-AAEUAGOBSA-N	-1	0	317.301	0.788	20	30		DCEDRM
COC[C@@H](C#N)OC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000820710577	597841775	/nfs/dbraw/zinc/84/17/75/597841775.db2.gz	PMZALJLPHCSAEY-DGCLKSJQSA-N	-1	0	317.301	0.788	20	30		DCEDRM
CNC(=O)c1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC000820637869	598223464	/nfs/dbraw/zinc/22/34/64/598223464.db2.gz	YDSCIQLLFBSTCF-OAHLLOKOSA-N	-1	0	303.318	0.667	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCOc1ccc2c(c1)OCO2	ZINC000819842826	598224265	/nfs/dbraw/zinc/22/42/65/598224265.db2.gz	VFBCBNDBLFZITJ-HNNXBMFYSA-N	-1	0	320.301	0.915	20	30		DCEDRM
Cc1ccc(-n2cnnn2)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821058609	598224354	/nfs/dbraw/zinc/22/43/54/598224354.db2.gz	XJQSSUGJTFFDGW-CQSZACIVSA-N	-1	0	314.305	0.914	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCN(CC(F)(F)F)C1	ZINC000819833912	598224589	/nfs/dbraw/zinc/22/45/89/598224589.db2.gz	KGMCWUNNPWMHPY-BXKDBHETSA-N	-1	0	321.299	0.991	20	30		DCEDRM
CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000819955519	598226074	/nfs/dbraw/zinc/22/60/74/598226074.db2.gz	ZYJUGJMJZXODDP-ABAIWWIYSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CC(C)c1nnc2n1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000820061536	598226091	/nfs/dbraw/zinc/22/60/91/598226091.db2.gz	IUVCVGRQKDJEKD-MEBBXXQBSA-N	-1	0	319.365	0.837	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC(=O)N1CCc2ccccc21	ZINC000819835763	598226274	/nfs/dbraw/zinc/22/62/74/598226274.db2.gz	XPFMLSGVYYQACO-MRXNPFEDSA-N	-1	0	315.329	0.696	20	30		DCEDRM
CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820524253	598227730	/nfs/dbraw/zinc/22/77/30/598227730.db2.gz	NIYFHRROWZVLPZ-ZETOZRRWSA-N	-1	0	309.366	0.754	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(N2CCCCC2=O)CC1	ZINC000819811637	598230615	/nfs/dbraw/zinc/23/06/15/598230615.db2.gz	SQYNSTSBQZJENT-INIZCTEOSA-N	-1	0	321.377	0.994	20	30		DCEDRM
CC(=O)c1[nH]c(CC(=O)N2CCO[C@@H](C#N)C2)c(C(=O)[O-])c1C	ZINC000736183240	599953417	/nfs/dbraw/zinc/95/34/17/599953417.db2.gz	VJQFXUVGHGMSAJ-JTQLQIEISA-N	-1	0	319.317	0.517	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2ccsc2C(=O)[O-])CCO1	ZINC000093932437	599980989	/nfs/dbraw/zinc/98/09/89/599980989.db2.gz	MUZZYACFKIKXGU-SSDOTTSWSA-N	-1	0	302.333	0.359	20	30		DCEDRM
N#Cc1ccc(CN2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cc1	ZINC000739119308	600105040	/nfs/dbraw/zinc/10/50/40/600105040.db2.gz	YSNGJEVFIAODRV-HUUCEWRRSA-N	-1	0	313.357	0.923	20	30		DCEDRM
C#Cc1ccc(C(=O)OCc2noc(CCC(=O)[O-])n2)cn1	ZINC000736091040	600192045	/nfs/dbraw/zinc/19/20/45/600192045.db2.gz	NCCBDHDZUHLLOV-UHFFFAOYSA-N	-1	0	301.258	0.820	20	30		DCEDRM
N#CCc1ccc(NC(=O)COC(=O)CCNC(=O)[O-])cc1	ZINC000739092244	600200194	/nfs/dbraw/zinc/20/01/94/600200194.db2.gz	PTUBZHAMQMUCOW-UHFFFAOYSA-N	-1	0	305.290	0.892	20	30		DCEDRM
C[C@H](NC(=O)Nc1ccccc1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736650434	600403394	/nfs/dbraw/zinc/40/33/94/600403394.db2.gz	OMSZDPIBSFFNRR-JTQLQIEISA-N	-1	0	304.306	0.633	20	30		DCEDRM
Cc1c[nH]c(=O)n1-c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000738305347	600407174	/nfs/dbraw/zinc/40/71/74/600407174.db2.gz	OBORYUKOKCOQIE-UHFFFAOYSA-N	-1	0	314.301	0.937	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CNC(=O)OCc1ccccc1	ZINC000739078530	600407805	/nfs/dbraw/zinc/40/78/05/600407805.db2.gz	IVADJWYGDBPZMG-UHFFFAOYSA-N	-1	0	305.290	0.350	20	30		DCEDRM
CCN(CC#N)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000737067003	600458344	/nfs/dbraw/zinc/45/83/44/600458344.db2.gz	FJKJDQVRIVOMNB-CQSZACIVSA-N	-1	0	301.346	0.870	20	30		DCEDRM
COC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC000737587300	600569121	/nfs/dbraw/zinc/56/91/21/600569121.db2.gz	OAXYUSCKGWKYOH-STQMWFEESA-N	-1	0	304.302	0.558	20	30		DCEDRM
N#Cc1ccc(OC[C@@H](O)Cn2nc(C(=O)[O-])ccc2=O)cc1	ZINC000739128814	600600329	/nfs/dbraw/zinc/60/03/29/600600329.db2.gz	LDABSMXKLRVSMI-NSHDSACASA-N	-1	0	315.285	0.253	20	30		DCEDRM
COC(=O)NCCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737637883	600617690	/nfs/dbraw/zinc/61/76/90/600617690.db2.gz	KQYZPGOSAHTPFY-GFCCVEGCSA-N	-1	0	306.274	0.973	20	30		DCEDRM
N#CCCN(CC1CC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000833066060	600739368	/nfs/dbraw/zinc/73/93/68/600739368.db2.gz	UQWLNEWQKWSNIK-UHFFFAOYSA-N	-1	0	312.351	0.282	20	30		DCEDRM
COc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1Cl	ZINC000738057562	600764312	/nfs/dbraw/zinc/76/43/12/600764312.db2.gz	DUUDRUMGCXCCGI-UHFFFAOYSA-N	-1	0	318.738	0.947	20	30		DCEDRM
N#Cc1ccc(-c2nnc(CN3CCO[C@@H](C(=O)[O-])C3)o2)cc1	ZINC000819096031	600824765	/nfs/dbraw/zinc/82/47/65/600824765.db2.gz	SSSVTVXHPTXSNR-GFCCVEGCSA-N	-1	0	314.301	0.894	20	30		DCEDRM
CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1cn(C)nn1	ZINC000736126282	600885324	/nfs/dbraw/zinc/88/53/24/600885324.db2.gz	NUBWKPBDYIHCKS-NSHDSACASA-N	-1	0	319.321	0.219	20	30		DCEDRM
C#CCCCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC000825605659	600925954	/nfs/dbraw/zinc/92/59/54/600925954.db2.gz	LSWOECJJOASHFR-UHFFFAOYSA-N	-1	0	318.329	0.927	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCCOc1cccc(F)c1	ZINC000833067803	601002647	/nfs/dbraw/zinc/00/26/47/601002647.db2.gz	YFCCOYCGYLNFRD-UHFFFAOYSA-N	-1	0	309.297	0.231	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)Nc2ccn(CC(=O)[O-])n2)CCN1C1CC1	ZINC000833062738	601064800	/nfs/dbraw/zinc/06/48/00/601064800.db2.gz	PREXXUKSNQCUJC-LLVKDONJSA-N	-1	0	318.337	0.172	20	30		DCEDRM
C#CCOc1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cc1	ZINC000825631579	601200365	/nfs/dbraw/zinc/20/03/65/601200365.db2.gz	FZFFQRWNSYSZOA-UHFFFAOYSA-N	-1	0	300.274	0.627	20	30		DCEDRM
Cc1oc(S(=O)(=O)N2CCN(CC#N)CC2)cc1C(=O)[O-]	ZINC000833028547	601220335	/nfs/dbraw/zinc/22/03/35/601220335.db2.gz	SYPHEKWPZVNFTB-UHFFFAOYSA-N	-1	0	313.335	0.116	20	30		DCEDRM
Cc1oc(S(=O)(=O)N2CCOC[C@H]2C#N)cc1C(=O)[O-]	ZINC000833027717	601223461	/nfs/dbraw/zinc/22/34/61/601223461.db2.gz	AFQQKLITIZQKBP-MRVPVSSYSA-N	-1	0	300.292	0.199	20	30		DCEDRM
CS(=O)(=O)c1cccc(OCCN(CC#N)CC(=O)[O-])c1	ZINC000832725788	601226477	/nfs/dbraw/zinc/22/64/77/601226477.db2.gz	WGHUDDARAHNGFD-UHFFFAOYSA-N	-1	0	312.347	0.379	20	30		DCEDRM
N#CCc1ccc(OC[C@@H](O)CN(CC#N)CC(=O)[O-])cc1	ZINC000833069181	601242322	/nfs/dbraw/zinc/24/23/22/601242322.db2.gz	OECOSAQETNHILF-ZDUSSCGKSA-N	-1	0	303.318	0.403	20	30		DCEDRM
C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)CCCC#N)CC1	ZINC000827385029	601257551	/nfs/dbraw/zinc/25/75/51/601257551.db2.gz	CZMOJMMJAYVOJW-LLVKDONJSA-N	-1	0	303.384	0.101	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)COC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC000828714485	601356997	/nfs/dbraw/zinc/35/69/97/601356997.db2.gz	ATXFWHVXPBOOIC-ZANVPECISA-N	-1	0	321.333	0.669	20	30		DCEDRM
Cc1nn(CCC(=O)[O-])c(C)c1CN=Nc1nccn(C)c1=O	ZINC000833016393	601396826	/nfs/dbraw/zinc/39/68/26/601396826.db2.gz	VBDUHCRYVKYUSG-UHFFFAOYSA-N	-1	0	318.337	0.514	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000825609238	601582161	/nfs/dbraw/zinc/58/21/61/601582161.db2.gz	YXEXGZWJEPJWBQ-UHFFFAOYSA-N	-1	0	312.734	0.690	20	30		DCEDRM
C[C@H](CS(=O)(=O)NCc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000827563326	601795590	/nfs/dbraw/zinc/79/55/90/601795590.db2.gz	LZNYAEMIEOKVBQ-MRVPVSSYSA-N	-1	0	300.311	0.837	20	30		DCEDRM
O=C([O-])c1ccc(CN=Nc2nccc(N3CCOCC3)n2)[nH]1	ZINC000762603215	601881261	/nfs/dbraw/zinc/88/12/61/601881261.db2.gz	MPMHCXGGDZMHER-UHFFFAOYSA-N	-1	0	316.321	0.786	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCSC[C@H]1CC(=O)[O-]	ZINC000829641860	601893010	/nfs/dbraw/zinc/89/30/10/601893010.db2.gz	BSEOCDHASLSHFF-VXGBXAGGSA-N	-1	0	313.423	0.887	20	30		DCEDRM
O=C([O-])C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCO1	ZINC000833214855	602392680	/nfs/dbraw/zinc/39/26/80/602392680.db2.gz	SOJBLCBNZQBERM-GFCCVEGCSA-N	-1	0	317.297	0.469	20	30		DCEDRM
C[C@@H](CC(=O)N(CCC#N)CCN1CCOCC1)NC(=O)[O-]	ZINC000824558538	602778786	/nfs/dbraw/zinc/77/87/86/602778786.db2.gz	RPGIJUFFMIVGEA-LBPRGKRZSA-N	-1	0	312.370	0.107	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-]	ZINC000828272364	603136424	/nfs/dbraw/zinc/13/64/24/603136424.db2.gz	ANFLXISKCDPWBZ-MNOVXSKESA-N	-1	0	318.399	0.493	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@@H](CNC(=O)[O-])C1	ZINC000831118309	603183198	/nfs/dbraw/zinc/18/31/98/603183198.db2.gz	UJVPXJUUHUQLJQ-VIFPVBQESA-N	-1	0	324.362	0.300	20	30		DCEDRM
Cc1nn(C)c(C)c1CCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830851846	603598273	/nfs/dbraw/zinc/59/82/73/603598273.db2.gz	LMQUGUGYWGGCJS-GFCCVEGCSA-N	-1	0	319.365	0.684	20	30		DCEDRM
Cc1cc(C)n([C@H](C)C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000830018496	603601736	/nfs/dbraw/zinc/60/17/36/603601736.db2.gz	YLWANDWHHJDIIJ-NEPJUHHUSA-N	-1	0	305.338	0.775	20	30		DCEDRM
N#Cc1ccccc1N1CCC(NC(=O)CNC(=O)[O-])CC1	ZINC000739147663	603603295	/nfs/dbraw/zinc/60/32/95/603603295.db2.gz	YGXUYHJNQTYVMG-UHFFFAOYSA-N	-1	0	302.334	0.911	20	30		DCEDRM
COC(=O)[C@@H](OC(=O)CCNC(=O)[O-])c1cccc(C#N)c1	ZINC000828611882	603612424	/nfs/dbraw/zinc/61/24/24/603612424.db2.gz	FECNOQPYWYBPKT-LBPRGKRZSA-N	-1	0	306.274	0.973	20	30		DCEDRM
CC(C)(CNC(=O)C(=O)Nc1ccc(F)cc1C#N)NC(=O)[O-]	ZINC000823895407	603672985	/nfs/dbraw/zinc/67/29/85/603672985.db2.gz	ZROVQUTUESARCG-UHFFFAOYSA-N	-1	0	322.296	0.798	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1Cc1cc(=O)n2ccsc2n1	ZINC000831091840	603726069	/nfs/dbraw/zinc/72/60/69/603726069.db2.gz	MBDURJCLQOFRQM-JTQLQIEISA-N	-1	0	319.346	0.444	20	30		DCEDRM
CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000828162000	603729144	/nfs/dbraw/zinc/72/91/44/603729144.db2.gz	JYQMMNFPXNSJDZ-MRVPVSSYSA-N	-1	0	308.260	0.195	20	30		DCEDRM
N#Cc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c(F)c1	ZINC000831126772	603759014	/nfs/dbraw/zinc/75/90/14/603759014.db2.gz	REBQCCUERGRENE-CMPLNLGQSA-N	-1	0	307.281	0.427	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000823516648	603781760	/nfs/dbraw/zinc/78/17/60/603781760.db2.gz	QSYHWJAKXAUUKE-CHWSQXEVSA-N	-1	0	320.345	0.981	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000831142092	603784174	/nfs/dbraw/zinc/78/41/74/603784174.db2.gz	RMDNCAMZYYPVHM-LBPRGKRZSA-N	-1	0	318.333	0.989	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823457252	603806409	/nfs/dbraw/zinc/80/64/09/603806409.db2.gz	WQJMYWBODKOTFB-ODWCKFRGSA-N	-1	0	322.361	0.979	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000831141226	603843148	/nfs/dbraw/zinc/84/31/48/603843148.db2.gz	FOEPCBDBZZOJMD-YPMHNXCESA-N	-1	0	319.317	0.166	20	30		DCEDRM
COCCCNC(=S)NN=CC1CCN(C(=O)[O-])CC1	ZINC000828950943	603855743	/nfs/dbraw/zinc/85/57/43/603855743.db2.gz	XUIUZVHJKBPHDB-UHFFFAOYSA-N	-1	0	302.400	0.863	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000831156494	603860389	/nfs/dbraw/zinc/86/03/89/603860389.db2.gz	ABOOBOUFBVGFAA-CQSZACIVSA-N	-1	0	321.312	0.573	20	30		DCEDRM
N#CCN1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1	ZINC000831102573	604015456	/nfs/dbraw/zinc/01/54/56/604015456.db2.gz	NQJLDNKUKZRGJR-AGUYFDCRSA-N	-1	0	320.393	0.965	20	30		DCEDRM
CC(=O)c1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n(C)c1	ZINC000823628798	604065254	/nfs/dbraw/zinc/06/52/54/604065254.db2.gz	WBWVSZLOVITBBD-LLVKDONJSA-N	-1	0	304.306	0.556	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000831083312	604070013	/nfs/dbraw/zinc/07/00/13/604070013.db2.gz	YUHHCDPXGXZBCZ-LBPRGKRZSA-N	-1	0	318.289	0.852	20	30		DCEDRM
Cc1sc(=O)n(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1C	ZINC000830952682	604074522	/nfs/dbraw/zinc/07/45/22/604074522.db2.gz	LLOHRFQWLPLUNZ-SNVBAGLBSA-N	-1	0	324.362	0.241	20	30		DCEDRM
Cn1c(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)ccc1[N+](=O)[O-]	ZINC000830969588	604083096	/nfs/dbraw/zinc/08/30/96/604083096.db2.gz	XCFJXPFUOPDQNJ-MRVPVSSYSA-N	-1	0	307.266	0.261	20	30		DCEDRM
CCc1noc(CCCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000827669695	604084855	/nfs/dbraw/zinc/08/48/55/604084855.db2.gz	DVPKCGFLQMRLLX-JTQLQIEISA-N	-1	0	321.337	0.669	20	30		DCEDRM
Cc1[nH]nc2ncc(C(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)cc12	ZINC000829832851	604088668	/nfs/dbraw/zinc/08/86/68/604088668.db2.gz	AJBUZZSUWWUKEZ-SNVBAGLBSA-N	-1	0	314.305	0.594	20	30		DCEDRM
CN(C[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1)C(=O)[O-]	ZINC000828223670	604092554	/nfs/dbraw/zinc/09/25/54/604092554.db2.gz	OKBUKSJWXRMFON-IUODEOHRSA-N	-1	0	308.382	0.869	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)c1C#N	ZINC000830510725	604119717	/nfs/dbraw/zinc/11/97/17/604119717.db2.gz	BGNVGLSHLKNDMN-UHFFFAOYSA-N	-1	0	316.317	0.627	20	30		DCEDRM
CCN(CCNC(=O)C(=O)Nc1cccc(C)c1C#N)C(=O)[O-]	ZINC000827134659	604140520	/nfs/dbraw/zinc/14/05/20/604140520.db2.gz	HPAMQGNUJSXBIV-UHFFFAOYSA-N	-1	0	318.333	0.921	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NC[C@H](NC(=O)[O-])c2ccccc2)CCO1	ZINC000831077231	604219671	/nfs/dbraw/zinc/21/96/71/604219671.db2.gz	XQEQZIUXKRZXDB-STQMWFEESA-N	-1	0	318.333	0.929	20	30		DCEDRM
N#C[C@@H](C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C(=O)NC1CC1	ZINC000831064305	604222990	/nfs/dbraw/zinc/22/29/90/604222990.db2.gz	FJAHQSSDOJSBTL-QWRGUYRKSA-N	-1	0	309.322	0.133	20	30		DCEDRM
C[C@H]1CCCN(S(=O)(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)C1	ZINC000825930978	604243927	/nfs/dbraw/zinc/24/39/27/604243927.db2.gz	DVYCDRAKSRIBSL-WDEREUQCSA-N	-1	0	316.383	0.151	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1	ZINC000314523849	604465186	/nfs/dbraw/zinc/46/51/86/604465186.db2.gz	YRGLHGWHYPWKDC-UHFFFAOYSA-N	-1	0	322.386	0.465	20	30		DCEDRM
CCN(CC(=O)N(CCC#N)CCC#N)C1CN(C(=O)[O-])C1	ZINC000826996793	604557922	/nfs/dbraw/zinc/55/79/22/604557922.db2.gz	KIZINYJXSQQAGT-UHFFFAOYSA-N	-1	0	307.354	0.326	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN([C@@H](C)C(=O)N(C)CCC#N)CCO1	ZINC000825343522	604619387	/nfs/dbraw/zinc/61/93/87/604619387.db2.gz	IQHJNJXOIWTFTK-SRVKXCTJSA-N	-1	0	312.370	0.104	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)COc1ccc(C#N)cc1	ZINC000829954462	604719364	/nfs/dbraw/zinc/71/93/64/604719364.db2.gz	HISIRGHRDMCERT-CYBMUJFWSA-N	-1	0	306.318	0.885	20	30		DCEDRM
COC(=O)C1(O)CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1	ZINC000833701481	604729025	/nfs/dbraw/zinc/72/90/25/604729025.db2.gz	BMUSUMQKRXZNTE-UHFFFAOYSA-N	-1	0	318.329	0.756	20	30		DCEDRM
C=CCNc1ncc(C(=O)N2CCC(O)(C(=O)[O-])CC2)s1	ZINC000833375693	604777531	/nfs/dbraw/zinc/77/75/31/604777531.db2.gz	ISJZNJZJNKMBTK-UHFFFAOYSA-N	-1	0	311.363	0.793	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cncc(C(=O)[O-])c1	ZINC000833376928	605018620	/nfs/dbraw/zinc/01/86/20/605018620.db2.gz	WTDJQOSPDCBQGX-MRVPVSSYSA-N	-1	0	321.289	0.337	20	30		DCEDRM
C#CCN(C(=O)c1cncc(C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC000833365807	605032743	/nfs/dbraw/zinc/03/27/43/605032743.db2.gz	ZYFASIICBWWSHO-GFCCVEGCSA-N	-1	0	322.342	0.042	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833370170	605060676	/nfs/dbraw/zinc/06/06/76/605060676.db2.gz	IXDUCJLXTDZEQA-VIFPVBQESA-N	-1	0	300.336	0.243	20	30		DCEDRM
C#CCOc1ccccc1OC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000823467231	605074662	/nfs/dbraw/zinc/07/46/62/605074662.db2.gz	SEWWKTURKOIZDU-CYBMUJFWSA-N	-1	0	305.286	0.983	20	30		DCEDRM
Cn1ncc2c1nc(N=NC1CCN(C(=O)[O-])CC1)[n-]c2=O	ZINC000831055138	605172969	/nfs/dbraw/zinc/17/29/69/605172969.db2.gz	PGHWLKDPZJRLES-UHFFFAOYSA-N	-1	0	305.298	0.611	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000393814462	605209576	/nfs/dbraw/zinc/20/95/76/605209576.db2.gz	VCTCMDQHUYRNGU-UHFFFAOYSA-N	-1	0	304.349	0.027	20	30		DCEDRM
CCN(CCNC(=O)C(=O)Nc1cccc(C#N)c1C)C(=O)[O-]	ZINC000827135009	605211459	/nfs/dbraw/zinc/21/14/59/605211459.db2.gz	UCPJYFITDMSPJK-UHFFFAOYSA-N	-1	0	318.333	0.921	20	30		DCEDRM
N#Cc1c(F)cccc1N(CCN1CCOCC1)CC(=O)[O-]	ZINC000833760879	605241796	/nfs/dbraw/zinc/24/17/96/605241796.db2.gz	HMJOEAISRCQEOQ-UHFFFAOYSA-N	-1	0	307.325	0.921	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000833378167	605269303	/nfs/dbraw/zinc/26/93/03/605269303.db2.gz	KJEAJTLTWZPUMJ-SNVBAGLBSA-N	-1	0	319.383	0.029	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000819720242	605286528	/nfs/dbraw/zinc/28/65/28/605286528.db2.gz	PLGVWKFGVWIAJZ-UHFFFAOYSA-N	-1	0	318.395	0.530	20	30		DCEDRM
N#C[C@H](NC(=O)CNC(=O)CNC(=O)[O-])c1ccc(Cl)cc1	ZINC000833960947	605379869	/nfs/dbraw/zinc/37/98/69/605379869.db2.gz	NCKUMWMKJHSYBW-JTQLQIEISA-N	-1	0	324.724	0.405	20	30		DCEDRM
N#Cc1cc(COC(=O)[C@H](CC(N)=O)NC(=O)[O-])ccc1F	ZINC000833970248	605416901	/nfs/dbraw/zinc/41/69/01/605416901.db2.gz	KPBZTDWKMONKKB-JTQLQIEISA-N	-1	0	309.253	0.252	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC000833365982	605418108	/nfs/dbraw/zinc/41/81/08/605418108.db2.gz	ALICQIBOQCGKGX-VMPITWQZSA-N	-1	0	309.343	0.713	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NCCNC(=O)[O-])c(Cl)c1	ZINC000831136614	605493287	/nfs/dbraw/zinc/49/32/87/605493287.db2.gz	FZFCDHCMWXKOLV-UHFFFAOYSA-N	-1	0	310.697	0.534	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1	ZINC000833466228	605562866	/nfs/dbraw/zinc/56/28/66/605562866.db2.gz	AHYFNKJCVALUCA-CYBMUJFWSA-N	-1	0	317.349	0.481	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@H](CC(=O)[O-])C2CC2)c1	ZINC000833368326	605667429	/nfs/dbraw/zinc/66/74/29/605667429.db2.gz	LJBVBBFVWKTADG-CYBMUJFWSA-N	-1	0	300.314	0.976	20	30		DCEDRM
CCCN(C(=O)Cn1cnc(C#N)n1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000826867815	605700037	/nfs/dbraw/zinc/70/00/37/605700037.db2.gz	ZQBYNEOVNUTOEN-SNVBAGLBSA-N	-1	0	306.326	0.141	20	30		DCEDRM
N#CCCn1ncc2c1ncnc2NCC1CN(C(=O)[O-])C1	ZINC000833965191	605730573	/nfs/dbraw/zinc/73/05/73/605730573.db2.gz	CQODTZYCYNGEFK-UHFFFAOYSA-N	-1	0	301.310	0.762	20	30		DCEDRM
CN(C(=O)Cn1cnc(C#N)n1)C1CCC(NC(=O)[O-])CC1	ZINC000827781322	605769957	/nfs/dbraw/zinc/76/99/57/605769957.db2.gz	HKPVEXXLGYEFBZ-UHFFFAOYSA-N	-1	0	306.326	0.187	20	30		DCEDRM
N#Cc1ncn(CC(=O)NCCc2ccc(NC(=O)[O-])cc2)n1	ZINC000831161711	605779997	/nfs/dbraw/zinc/77/99/97/605779997.db2.gz	JRDKUJABKVEZKM-UHFFFAOYSA-N	-1	0	314.305	0.599	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NC[C@H](NC(=O)[O-])C2CC2)CCN1C1CC1	ZINC000833968018	605849786	/nfs/dbraw/zinc/84/97/86/605849786.db2.gz	TZIDOBQTDKMTKA-OLZOCXBDSA-N	-1	0	321.381	0.414	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NC[C@@H](NC(=O)[O-])C2CC2)CCN1C1CC1	ZINC000833968011	605849852	/nfs/dbraw/zinc/84/98/52/605849852.db2.gz	TZIDOBQTDKMTKA-CHWSQXEVSA-N	-1	0	321.381	0.414	20	30		DCEDRM
N#CCN1CCC(NC(=O)N2CCCC[C@H]2CNC(=O)[O-])CC1	ZINC000833968132	605968840	/nfs/dbraw/zinc/96/88/40/605968840.db2.gz	XMJHOWOQWSZDAE-ZDUSSCGKSA-N	-1	0	323.397	0.806	20	30		DCEDRM
O=C([O-])Nc1ccc(C=NNC2CCS(=O)(=O)CC2)cn1	ZINC000834257383	606079656	/nfs/dbraw/zinc/07/96/56/606079656.db2.gz	YNSRVPYEEAFLTP-UHFFFAOYSA-N	-1	0	312.351	0.672	20	30		DCEDRM
COc1csc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC000821911551	606125750	/nfs/dbraw/zinc/12/57/50/606125750.db2.gz	XYYOAKODFNLDDD-UHFFFAOYSA-N	-1	0	316.306	0.784	20	30		DCEDRM
N#Cc1nc(NC(=O)C[C@H]2CCCCO2)[n-]c1-c1nn[nH]n1	ZINC000822814526	606694331	/nfs/dbraw/zinc/69/43/31/606694331.db2.gz	HZOPIDAQYOIPPE-SSDOTTSWSA-N	-1	0	302.298	0.359	20	30		DCEDRM
N#Cc1nc(NC(=O)C[C@@H]2CCCCO2)[n-]c1-c1nn[nH]n1	ZINC000822814527	606694474	/nfs/dbraw/zinc/69/44/74/606694474.db2.gz	HZOPIDAQYOIPPE-ZETCQYMHSA-N	-1	0	302.298	0.359	20	30		DCEDRM
CC[C@@H]1CC[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)O1	ZINC000820973519	606848579	/nfs/dbraw/zinc/84/85/79/606848579.db2.gz	XUPMUKVLSTUKFJ-HTRCEHHLSA-N	-1	0	302.298	0.358	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1cccc2nsnc21	ZINC000822814232	607161821	/nfs/dbraw/zinc/16/18/21/607161821.db2.gz	COLWODIWEWVFIP-UHFFFAOYSA-N	-1	0	324.333	0.570	20	30		DCEDRM
CCn1nccc1C=Nn1c(C)cc(C)c(-c2nnn[n-]2)c1=O	ZINC000825806765	607807869	/nfs/dbraw/zinc/80/78/69/607807869.db2.gz	CRACGWPVZAJEBF-UHFFFAOYSA-N	-1	0	312.337	0.744	20	30		DCEDRM
CCCCCCCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC000825270584	607861377	/nfs/dbraw/zinc/86/13/77/607861377.db2.gz	ACMYVIOOXBAXIO-UHFFFAOYSA-N	-1	0	306.374	0.935	20	30		DCEDRM
CC#CCNC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC000823936978	608108884	/nfs/dbraw/zinc/10/88/84/608108884.db2.gz	CBMGFSMPJBOTKR-UHFFFAOYSA-N	-1	0	304.335	0.442	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC000909386104	660498763	/nfs/dbraw/zinc/49/87/63/660498763.db2.gz	CUAMGMMBRCKWHO-GXFFZTMASA-N	-1	0	309.293	0.812	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cn(C)nc1CC	ZINC000181247764	665512105	/nfs/dbraw/zinc/51/21/05/665512105.db2.gz	TXNXWGRZKDGDKZ-NSHDSACASA-N	-1	0	306.366	0.848	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C(=O)C2)CC1	ZINC000810986174	658132989	/nfs/dbraw/zinc/13/29/89/658132989.db2.gz	QDZFJVGDPZFEQK-JTQLQIEISA-N	-1	0	300.380	0.410	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1CC(F)(F)F	ZINC000813094678	658705760	/nfs/dbraw/zinc/70/57/60/658705760.db2.gz	NDBVZAADUKZBGP-VIFPVBQESA-N	-1	0	312.313	0.482	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCSC2	ZINC000892491909	658721422	/nfs/dbraw/zinc/72/14/22/658721422.db2.gz	PFTIZZHKKCOFMS-SECBINFHSA-N	-1	0	322.390	0.294	20	30		DCEDRM
CN(CC#N)[C@@H]1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C1	ZINC000972494833	658913750	/nfs/dbraw/zinc/91/37/50/658913750.db2.gz	HDFNALRFGNWIEE-LLVKDONJSA-N	-1	0	301.350	0.729	20	30		DCEDRM
C#CC[C@@H](COC)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000872509039	667904901	/nfs/dbraw/zinc/90/49/01/667904901.db2.gz	OYRBRVNCYUMBMY-YPMLDQLKSA-N	-1	0	310.441	0.755	20	30		DCEDRM
N#Cc1ncn(CC[NH2+]Cc2ncc(Br)cc2O)n1	ZINC000894420713	661966753	/nfs/dbraw/zinc/96/67/53/661966753.db2.gz	WHDPMPIIXNABSW-UHFFFAOYSA-N	-1	0	323.154	0.803	20	30		DCEDRM
C[C@@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000048869415	662013374	/nfs/dbraw/zinc/01/33/74/662013374.db2.gz	HXORLHHXQRJTDH-MRVPVSSYSA-N	-1	0	319.412	0.593	20	30		DCEDRM
CCc1noc2ncc(C([O-])=C(C#N)C(=O)NCCOC)cc12	ZINC000728147110	662354526	/nfs/dbraw/zinc/35/45/26/662354526.db2.gz	AKUFWJKZAQLIEW-LLVKDONJSA-N	-1	0	316.317	0.870	20	30		DCEDRM
C#CCN(C)S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000926538327	668411623	/nfs/dbraw/zinc/41/16/23/668411623.db2.gz	QVBLHSGKXAQZOX-UHFFFAOYSA-N	-1	0	301.295	0.543	20	30		DCEDRM
Cn1nc2c(c1/C=C/C(=O)c1cnc([O-])n(C)c1=O)CCC2	ZINC000899363123	663140419	/nfs/dbraw/zinc/14/04/19/663140419.db2.gz	DXBXCIRDJOCTBF-VOTSOKGWSA-N	-1	0	300.318	0.604	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)s1	ZINC000899925213	663201067	/nfs/dbraw/zinc/20/10/67/663201067.db2.gz	AEUFQTZVHWZVKW-JTQLQIEISA-N	-1	0	314.388	0.940	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)CC1	ZINC000899926033	663201096	/nfs/dbraw/zinc/20/10/96/663201096.db2.gz	JTYKGCNMNDVGKJ-GFCCVEGCSA-N	-1	0	310.375	0.810	20	30		DCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCCCO2)C1	ZINC000899929257	663201405	/nfs/dbraw/zinc/20/14/05/663201405.db2.gz	APCBBFBLURZIJX-STQMWFEESA-N	-1	0	315.391	0.685	20	30		DCEDRM
C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)C1	ZINC000899929233	663201460	/nfs/dbraw/zinc/20/14/60/663201460.db2.gz	ACAPSPRDSPWPHQ-CHWSQXEVSA-N	-1	0	314.407	0.763	20	30		DCEDRM
CS(=O)(=O)CCNN=Cc1ncc(Br)cc1O	ZINC000901196455	663329376	/nfs/dbraw/zinc/32/93/76/663329376.db2.gz	ONMXCOXZFKIEPC-UHFFFAOYSA-N	-1	0	322.184	0.518	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000901685073	663362445	/nfs/dbraw/zinc/36/24/45/663362445.db2.gz	XHNZQLVVLRGZNW-MDZLAQPJSA-N	-1	0	320.349	0.731	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	ZINC000903058080	663445741	/nfs/dbraw/zinc/44/57/41/663445741.db2.gz	DCALNGLRJRMCPC-NSHDSACASA-N	-1	0	320.411	0.741	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1CN1CCN(C(=O)C(=O)[O-])CC1	ZINC000903409635	663453799	/nfs/dbraw/zinc/45/37/99/663453799.db2.gz	WYCBBBKGYNLHGY-UHFFFAOYSA-N	-1	0	301.346	0.904	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000908767971	663768888	/nfs/dbraw/zinc/76/88/88/663768888.db2.gz	CWRURXGGNGUIOR-AWEZNQCLSA-N	-1	0	302.330	0.993	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(C)nc2c1c(C)nn2C)C(=O)[O-]	ZINC000910052029	663836927	/nfs/dbraw/zinc/83/69/27/663836927.db2.gz	LIRCITGEKIGVLG-LLVKDONJSA-N	-1	0	300.318	0.791	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1)C(=O)[O-]	ZINC000910053740	663837324	/nfs/dbraw/zinc/83/73/24/663837324.db2.gz	CURVEVBPHMHVLG-QWHCGFSZSA-N	-1	0	323.393	0.657	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cccc(C(=O)N(C)CC)c1)C(=O)[O-]	ZINC000910054877	663837857	/nfs/dbraw/zinc/83/78/57/663837857.db2.gz	UCRKHNYBQFZSTN-ZDUSSCGKSA-N	-1	0	302.330	0.985	20	30		DCEDRM
C#CC[C@H](NC(=O)CNC(=O)c1ccc(C)c(C)c1)C(=O)[O-]	ZINC000910054892	663838006	/nfs/dbraw/zinc/83/80/06/663838006.db2.gz	ZIQLRWCLPYAQPV-ZDUSSCGKSA-N	-1	0	302.330	0.626	20	30		DCEDRM
C#Cc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc1	ZINC000911366373	664043645	/nfs/dbraw/zinc/04/36/45/664043645.db2.gz	XRYGWSMGLFSIEG-UHFFFAOYSA-N	-1	0	316.357	0.527	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21	ZINC000911395018	664047132	/nfs/dbraw/zinc/04/71/32/664047132.db2.gz	IARILLXNLPIAGK-NSHDSACASA-N	-1	0	300.314	0.840	20	30		DCEDRM
Cc1cc(O)cc(=O)n1CCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000438682445	664241396	/nfs/dbraw/zinc/24/13/96/664241396.db2.gz	PFALTYGKXFONKY-UHFFFAOYSA-N	-1	0	312.289	0.358	20	30		DCEDRM
O=C(c1cccc(C#CCO)c1)N1CCC(c2nnn[n-]2)CC1	ZINC000913745516	664718510	/nfs/dbraw/zinc/71/85/10/664718510.db2.gz	IDXMUFHWDBJAHO-UHFFFAOYSA-N	-1	0	311.345	0.563	20	30		DCEDRM
O=C1N=C(NN=Cc2cc(Cl)cc(Cl)c2[O-])NC1=O	ZINC000765594022	664940726	/nfs/dbraw/zinc/94/07/26/664940726.db2.gz	QQQVNSVQVJIHNY-UHFFFAOYSA-N	-1	0	301.089	0.635	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])cn1C	ZINC000916869194	665097909	/nfs/dbraw/zinc/09/79/09/665097909.db2.gz	VDEQEHZHLQWMQO-NSHDSACASA-N	-1	0	322.321	0.799	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c([N+](=O)[O-])c1	ZINC000916889010	665099123	/nfs/dbraw/zinc/09/91/23/665099123.db2.gz	HRPFKQJSPBOWDG-JTQLQIEISA-N	-1	0	321.289	0.688	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(N2CCCS2(=O)=O)c1	ZINC000917004753	665108411	/nfs/dbraw/zinc/10/84/11/665108411.db2.gz	AXOPRDJMHJAZAY-GFCCVEGCSA-N	-1	0	321.358	0.295	20	30		DCEDRM
C=C1CC(C)(C(=O)N2CC(CNC(=O)c3cnc[nH]c3=O)C2)C1	ZINC001002718157	666211118	/nfs/dbraw/zinc/21/11/18/666211118.db2.gz	AUBUHFHHPOOHGY-UHFFFAOYSA-N	-1	0	316.361	0.727	20	30		DCEDRM
CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCC#N)c1	ZINC000427643543	666350537	/nfs/dbraw/zinc/35/05/37/666350537.db2.gz	AOBOPRZCAXPVMW-UHFFFAOYSA-N	-1	0	324.362	0.660	20	30		DCEDRM
CN(C(=O)c1cc(=O)[nH]c(C2CC2)n1)[C@@H]1CCN(CC#N)C1	ZINC001033172346	666587108	/nfs/dbraw/zinc/58/71/08/666587108.db2.gz	QLUOKDXTQAIBEF-LLVKDONJSA-N	-1	0	301.350	0.729	20	30		DCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C=NOC)cc1	ZINC000733719271	666807673	/nfs/dbraw/zinc/80/76/73/666807673.db2.gz	YOPZPPHGDGZESR-SNVBAGLBSA-N	-1	0	314.363	0.761	20	30		DCEDRM
N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1	ZINC000733720757	666808008	/nfs/dbraw/zinc/80/80/08/666808008.db2.gz	GQZZLGWXVDDNBJ-LBPRGKRZSA-N	-1	0	310.331	0.172	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)nn1	ZINC000861141518	666902096	/nfs/dbraw/zinc/90/20/96/666902096.db2.gz	XWTZZZPIJXIPKS-SECBINFHSA-N	-1	0	314.367	0.091	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1sc(-c2cnn(C)c2)nc1C	ZINC000734706782	666903326	/nfs/dbraw/zinc/90/33/26/666903326.db2.gz	WJTONRRJDSVUCB-VIFPVBQESA-N	-1	0	303.347	0.921	20	30		DCEDRM
N#CCN1CCCC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001034431428	667025004	/nfs/dbraw/zinc/02/50/04/667025004.db2.gz	JTWDKDVOELRFHO-LLVKDONJSA-N	-1	0	314.349	0.130	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000863407124	667139898	/nfs/dbraw/zinc/13/98/98/667139898.db2.gz	FFONYTQBMHXPIC-SNVBAGLBSA-N	-1	0	314.294	0.408	20	30		DCEDRM
C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2C#N)CC[C@H]1C(=O)[O-]	ZINC000863733944	667173706	/nfs/dbraw/zinc/17/37/06/667173706.db2.gz	HWWOXSQYZJMCDQ-NXEZZACHSA-N	-1	0	323.374	0.753	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)C1CCCC1	ZINC000863746296	667174415	/nfs/dbraw/zinc/17/44/15/667174415.db2.gz	IXCZBNZDEMBZNC-OCCSQVGLSA-N	-1	0	320.389	0.960	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C3(F)CCCCC3)C2)c(=O)[n-]c1=O	ZINC000863935099	667195170	/nfs/dbraw/zinc/19/51/70/667195170.db2.gz	UALSWUYXZSNKKF-UHFFFAOYSA-N	-1	0	320.324	0.876	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C3SCCS3)C2)c(=O)[n-]c1=O	ZINC000863935038	667195298	/nfs/dbraw/zinc/19/52/98/667195298.db2.gz	SAIWTUXIYPVEAJ-UHFFFAOYSA-N	-1	0	324.387	0.010	20	30		DCEDRM
C=CCN(C(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1)C(C)C	ZINC000868332460	667557414	/nfs/dbraw/zinc/55/74/14/667557414.db2.gz	LLDAGUXJSBXDFE-OAHLLOKOSA-N	-1	0	312.366	0.359	20	30		DCEDRM
COC(=O)Cc1sccc1C(=O)N[C@@H]1CCCN(O)C1=O	ZINC000868562204	667581325	/nfs/dbraw/zinc/58/13/25/667581325.db2.gz	DPANLHHADABIDX-SECBINFHSA-N	-1	0	312.347	0.574	20	30		DCEDRM
C#CCO[C@H](C)C(=O)OCC(=O)CCNC(=O)C(F)(F)F	ZINC000869529374	667665343	/nfs/dbraw/zinc/66/53/43/667665343.db2.gz	WURJSRNFKFPXPB-MRVPVSSYSA-N	-1	0	309.240	0.206	20	30		DCEDRM
Cc1nc(S(=O)(=O)[N-]C(=O)c2cc(C#N)cn2C)cn1C	ZINC000839017188	667726555	/nfs/dbraw/zinc/72/65/55/667726555.db2.gz	DVUDBQKWSDUPQQ-UHFFFAOYSA-N	-1	0	307.335	0.057	20	30		DCEDRM
CCOC1CC2(C[C@@H]2C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)C1	ZINC000870282053	667727180	/nfs/dbraw/zinc/72/71/80/667727180.db2.gz	WXLQJYQSBWKPEK-IQLKVPPVSA-N	-1	0	312.391	0.941	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](OCC)C1CCOCC1	ZINC000870331092	667731670	/nfs/dbraw/zinc/73/16/70/667731670.db2.gz	KAGQVNCWXUPFIN-LBPRGKRZSA-N	-1	0	303.380	0.287	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@]23CCC(=O)N2CCS3)CC1	ZINC000870831821	667765123	/nfs/dbraw/zinc/76/51/23/667765123.db2.gz	HLUKKBLHQPMPCN-GFCCVEGCSA-N	-1	0	316.404	0.217	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-]	ZINC000871777592	667849273	/nfs/dbraw/zinc/84/92/73/667849273.db2.gz	VONKFPKHVJXLAV-FYBVGQRMSA-N	-1	0	312.372	0.961	20	30		DCEDRM
COC(=O)c1coc(S(=O)(=O)[N-]c2cnn(CC#N)c2)c1	ZINC000753955983	668039024	/nfs/dbraw/zinc/03/90/24/668039024.db2.gz	SRDUSDOXTYRJFF-UHFFFAOYSA-N	-1	0	310.291	0.587	20	30		DCEDRM
COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000757314669	668123990	/nfs/dbraw/zinc/12/39/90/668123990.db2.gz	CLHQGZWNRFXLMB-UHFFFAOYSA-N	-1	0	311.363	0.305	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCNC(=O)C1	ZINC000761190292	668311380	/nfs/dbraw/zinc/31/13/80/668311380.db2.gz	RBAMFLDWUWLHCA-NSHDSACASA-N	-1	0	321.358	0.198	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1nn(C)c(=O)c2ccccc21	ZINC000762026107	668343600	/nfs/dbraw/zinc/34/36/00/668343600.db2.gz	XTTNFAVILYGBNW-UHFFFAOYSA-N	-1	0	301.302	0.646	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1ccc(S(N)(=O)=O)s1	ZINC000762052188	668344686	/nfs/dbraw/zinc/34/46/86/668344686.db2.gz	IABYXBLDKDAUGV-UHFFFAOYSA-N	-1	0	318.376	0.037	20	30		DCEDRM
N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)c1	ZINC000762130339	668348135	/nfs/dbraw/zinc/34/81/35/668348135.db2.gz	GDDPXDLKGITXCL-GFCCVEGCSA-N	-1	0	324.358	0.420	20	30		DCEDRM
N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)c1	ZINC000762130340	668348170	/nfs/dbraw/zinc/34/81/70/668348170.db2.gz	GDDPXDLKGITXCL-LBPRGKRZSA-N	-1	0	324.358	0.420	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCC2(C)OCCO2)cc1C#N	ZINC000765018007	668471920	/nfs/dbraw/zinc/47/19/20/668471920.db2.gz	MUZCBKYKZTXBJQ-UHFFFAOYSA-N	-1	0	309.347	0.874	20	30		DCEDRM
C=CCCOCCCCC(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000765647303	668503055	/nfs/dbraw/zinc/50/30/55/668503055.db2.gz	AHDFPQQHNBGECW-UHFFFAOYSA-N	-1	0	315.395	0.988	20	30		DCEDRM
CCc1ccc(C([O-])=C(C#N)C(=O)NC)cc1S(C)(=O)=O	ZINC000765914683	668513472	/nfs/dbraw/zinc/51/34/72/668513472.db2.gz	GMRUHXWUFKZQRF-LLVKDONJSA-N	-1	0	308.359	0.721	20	30		DCEDRM
CCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)nn1	ZINC000766615241	668540543	/nfs/dbraw/zinc/54/05/43/668540543.db2.gz	VBCYOTSPAREKHU-UHFFFAOYSA-N	-1	0	319.346	0.678	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1=NN(CC(C)C)C(=O)CC1	ZINC000766889329	668549482	/nfs/dbraw/zinc/54/94/82/668549482.db2.gz	NDWJHAVNQCWEIF-UHFFFAOYSA-N	-1	0	301.368	0.253	20	30		DCEDRM
CCCOCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000766978950	668555408	/nfs/dbraw/zinc/55/54/08/668555408.db2.gz	SXIWFNGDWRVYRK-UHFFFAOYSA-N	-1	0	312.347	0.798	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)c1ccnn1C	ZINC000766987720	668555968	/nfs/dbraw/zinc/55/59/68/668555968.db2.gz	CUEHGXDJJJHMOL-UHFFFAOYSA-N	-1	0	320.330	0.419	20	30		DCEDRM
COCCOCCS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000768218159	668603545	/nfs/dbraw/zinc/60/35/45/668603545.db2.gz	YPPAVZLHQDIXHL-UHFFFAOYSA-N	-1	0	312.347	0.281	20	30		DCEDRM
N#Cc1cc(Cl)nc(N=NCc2cn(CC(=O)[O-])nn2)c1	ZINC000768373365	668606816	/nfs/dbraw/zinc/60/68/16/668606816.db2.gz	DUUQOSOEYIQGAQ-UHFFFAOYSA-N	-1	0	305.685	0.729	20	30		DCEDRM
COc1cc(C=NN2CC(=O)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000768386534	668607413	/nfs/dbraw/zinc/60/74/13/668607413.db2.gz	ZXLSTZHKNMUYJL-UHFFFAOYSA-N	-1	0	308.250	0.537	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCCOC1CCOCC1)C(=O)[O-]	ZINC000929016185	668644924	/nfs/dbraw/zinc/64/49/24/668644924.db2.gz	BBQBBQHIJJXUOE-GFCCVEGCSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCCC[C@H](NC(=O)N[C@@H](C)[C@H]1CN(C)CCO1)C(=O)[O-]	ZINC000929050896	668647698	/nfs/dbraw/zinc/64/76/98/668647698.db2.gz	TWTNMQDOCGYDKD-RWMBFGLXSA-N	-1	0	313.398	0.814	20	30		DCEDRM
Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771073071	668730241	/nfs/dbraw/zinc/73/02/41/668730241.db2.gz	FAFXKRPKDDCYCJ-UHFFFAOYSA-N	-1	0	324.406	0.719	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CN1c2ccccc2OCCC1=O	ZINC000772715465	668782367	/nfs/dbraw/zinc/78/23/67/668782367.db2.gz	NCVPVDRFJPJNCD-UHFFFAOYSA-N	-1	0	324.358	0.434	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc2c(C)nn(C)c2nc1C	ZINC000772720840	668782649	/nfs/dbraw/zinc/78/26/49/668782649.db2.gz	XDHNKMXHTDLUGM-UHFFFAOYSA-N	-1	0	308.363	0.831	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1coc(COC)n1	ZINC000773966020	668818399	/nfs/dbraw/zinc/81/83/99/668818399.db2.gz	CXJRFVGOYKCRHF-JTQLQIEISA-N	-1	0	309.322	0.686	20	30		DCEDRM
CC(C)C(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776117128	668871216	/nfs/dbraw/zinc/87/12/16/668871216.db2.gz	JUDVUATZYVGKOB-NSHDSACASA-N	-1	0	315.395	0.383	20	30		DCEDRM
CC[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1OC)C(=O)[O-]	ZINC000776540594	668877406	/nfs/dbraw/zinc/87/74/06/668877406.db2.gz	VBGUGUYVSRBDRW-JTQLQIEISA-N	-1	0	312.347	0.956	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-]	ZINC000776589773	668878776	/nfs/dbraw/zinc/87/87/76/668878776.db2.gz	WQXDOYWJCNNDDK-NSHDSACASA-N	-1	0	323.326	0.502	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(C)=O)c(C)nc1C	ZINC000777295466	668886240	/nfs/dbraw/zinc/88/62/40/668886240.db2.gz	GHASOAKWUWKKHD-CQSZACIVSA-N	-1	0	317.345	0.986	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000778711861	668903123	/nfs/dbraw/zinc/90/31/23/668903123.db2.gz	WXOPSBNBTWMWOL-VIFPVBQESA-N	-1	0	312.322	0.936	20	30		DCEDRM
C#CCN(C(=O)c1cccc(F)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000930472787	669025700	/nfs/dbraw/zinc/02/57/00/669025700.db2.gz	ZXVNMYUQRVIQDY-JTQLQIEISA-N	-1	0	311.334	0.794	20	30		DCEDRM
N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000781496595	669046751	/nfs/dbraw/zinc/04/67/51/669046751.db2.gz	GETMVTSNGYTCAD-LLVKDONJSA-N	-1	0	324.358	0.828	20	30		DCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)CCOC1	ZINC000781596945	669051777	/nfs/dbraw/zinc/05/17/77/669051777.db2.gz	BSUXCIQWUQHTHV-CYBMUJFWSA-N	-1	0	312.322	0.929	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)c1cncnc1	ZINC000781598510	669051991	/nfs/dbraw/zinc/05/19/91/669051991.db2.gz	YOTKWBCFGMKFJG-UHFFFAOYSA-N	-1	0	306.278	0.606	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)C1CCOCC1)cc2=O	ZINC000782506988	669103245	/nfs/dbraw/zinc/10/32/45/669103245.db2.gz	JFIRINTWKPVPNP-UHFFFAOYSA-N	-1	0	302.290	0.776	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)C1(O)CCCC1)cc2=O	ZINC000782856657	669125296	/nfs/dbraw/zinc/12/52/96/669125296.db2.gz	HYIPPDVLYUMXIQ-UHFFFAOYSA-N	-1	0	302.290	0.655	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000783123301	669144191	/nfs/dbraw/zinc/14/41/91/669144191.db2.gz	GCFHEXCONYNFGZ-DGCLKSJQSA-N	-1	0	305.396	0.840	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@H]1CCC[C@H]1O)cc2=O	ZINC000783875005	669179393	/nfs/dbraw/zinc/17/93/93/669179393.db2.gz	BODXBUHMLZAJTP-WDEREUQCSA-N	-1	0	302.290	0.511	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CO[C@H](C)C1	ZINC000784546619	669210151	/nfs/dbraw/zinc/21/01/51/669210151.db2.gz	KXAUAFFXELMHSD-KOLCDFICSA-N	-1	0	324.358	0.797	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@@H]1[C@@H]3CCCO[C@H]13)cc2=O	ZINC000784602318	669214466	/nfs/dbraw/zinc/21/44/66/669214466.db2.gz	NVRFVCIZDPIXQO-UHTWSYAYSA-N	-1	0	314.301	0.775	20	30		DCEDRM
CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(=O)[nH][n-]2)C1	ZINC000880656875	669254590	/nfs/dbraw/zinc/25/45/90/669254590.db2.gz	BTMQQRDGMMCOAC-CYBMUJFWSA-N	-1	0	311.345	0.471	20	30		DCEDRM
N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1O	ZINC000785409553	669254591	/nfs/dbraw/zinc/25/45/91/669254591.db2.gz	GBPWUVACQJCFNJ-UONOGXRCSA-N	-1	0	301.346	0.857	20	30		DCEDRM
C=C[C@](C)(O)c1cn(CC(=O)[N-]OCc2ccccc2)nn1	ZINC000881052959	669289966	/nfs/dbraw/zinc/28/99/66/669289966.db2.gz	RIFKVPWDMHQHPH-HNNXBMFYSA-N	-1	0	302.334	0.920	20	30		DCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)NCCC#N	ZINC000786776773	669330614	/nfs/dbraw/zinc/33/06/14/669330614.db2.gz	BSPLFLVLBDIYHI-VIFPVBQESA-N	-1	0	323.271	0.263	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC000788348297	669433119	/nfs/dbraw/zinc/43/31/19/669433119.db2.gz	GOOIRDSAQSCTFY-NSHDSACASA-N	-1	0	319.317	0.590	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)Cc1cc(OC)ns1)C(=O)OC	ZINC000882250194	669486149	/nfs/dbraw/zinc/48/61/49/669486149.db2.gz	BIFZISGLELRWRM-SECBINFHSA-N	-1	0	318.376	0.136	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)CC(C)(C)C	ZINC000810785693	669690161	/nfs/dbraw/zinc/69/01/61/669690161.db2.gz	NWCWRVRJGDUGJM-JTQLQIEISA-N	-1	0	302.396	0.397	20	30		DCEDRM
CC(C)(C)OC(=O)CCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194678	669706689	/nfs/dbraw/zinc/70/66/89/669706689.db2.gz	UTNQILWVIVAHKT-UHFFFAOYSA-N	-1	0	316.379	0.858	20	30		DCEDRM
Cn1ncc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)n1	ZINC000793279207	669711949	/nfs/dbraw/zinc/71/19/49/669711949.db2.gz	HXHCZYXEQPOCMR-JTQLQIEISA-N	-1	0	319.271	0.732	20	30		DCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccoc1CC(N)=O	ZINC000796778898	669942085	/nfs/dbraw/zinc/94/20/85/669942085.db2.gz	LQLOTJCXEBPKMZ-LLVKDONJSA-N	-1	0	305.334	0.936	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)[nH]1	ZINC000797062212	669954713	/nfs/dbraw/zinc/95/47/13/669954713.db2.gz	NCDLRJKMLMLOBV-UHFFFAOYSA-N	-1	0	311.319	0.165	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000191013056	669963920	/nfs/dbraw/zinc/96/39/20/669963920.db2.gz	IZRCHACCLFDJLC-UHFFFAOYSA-N	-1	0	319.346	0.271	20	30		DCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000797291755	669964014	/nfs/dbraw/zinc/96/40/14/669964014.db2.gz	PPQZWEAADCMPLB-VIFPVBQESA-N	-1	0	310.331	0.108	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000797816140	669976767	/nfs/dbraw/zinc/97/67/67/669976767.db2.gz	IBBZBDNCDIRFGB-BXKDBHETSA-N	-1	0	314.363	0.972	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1	ZINC000191195896	669989161	/nfs/dbraw/zinc/98/91/61/669989161.db2.gz	VZUKZNLFTQHGGB-UHFFFAOYSA-N	-1	0	308.359	0.702	20	30		DCEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNCCCN2CCOCC2)c1	ZINC000799488659	670062017	/nfs/dbraw/zinc/06/20/17/670062017.db2.gz	UGMJLYMKNBONPM-UHFFFAOYSA-N	-1	0	308.338	0.946	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(C(=O)OC(C)(C)C)cn1	ZINC000802044268	670149010	/nfs/dbraw/zinc/14/90/10/670149010.db2.gz	LOUVKBBMNWZCLC-MRVPVSSYSA-N	-1	0	304.306	0.500	20	30		DCEDRM
Cc1cc(COCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)on1	ZINC000802127662	670151378	/nfs/dbraw/zinc/15/13/78/670151378.db2.gz	TTZGBAQUNSSNBB-UHFFFAOYSA-N	-1	0	315.351	0.495	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc(C(C)(C)C)nc1	ZINC000808980212	670433571	/nfs/dbraw/zinc/43/35/71/670433571.db2.gz	WNBDEVIBCUDBJS-LLVKDONJSA-N	-1	0	304.350	0.859	20	30		DCEDRM
Cn1nccc1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000195496952	670495650	/nfs/dbraw/zinc/49/56/50/670495650.db2.gz	NGVVZELEFQFOCR-UHFFFAOYSA-N	-1	0	304.331	0.552	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC1(C(=O)OCC)CCC1	ZINC000810773439	670496950	/nfs/dbraw/zinc/49/69/50/670496950.db2.gz	FKHBYRXBRBPPEP-UHFFFAOYSA-N	-1	0	301.364	0.579	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc([S@@](C)=O)cc1	ZINC000810780620	670497551	/nfs/dbraw/zinc/49/75/51/670497551.db2.gz	KDXJWKGAHLOFSI-LJQANCHMSA-N	-1	0	313.400	0.436	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)OC)C1	ZINC000810782904	670497751	/nfs/dbraw/zinc/49/77/51/670497751.db2.gz	WMBIPMJCTSWECD-QWRGUYRKSA-N	-1	0	301.364	0.435	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)N(C)C)c1	ZINC000810781890	670497769	/nfs/dbraw/zinc/49/77/69/670497769.db2.gz	WPVJCBYVBPRVQJ-UHFFFAOYSA-N	-1	0	323.374	0.863	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2nc(C)n(C)c2c1	ZINC000810785477	670498089	/nfs/dbraw/zinc/49/80/89/670498089.db2.gz	ISXJJVIEOZNBNN-UHFFFAOYSA-N	-1	0	305.359	0.965	20	30		DCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CCCCCC#N	ZINC000810828378	670498658	/nfs/dbraw/zinc/49/86/58/670498658.db2.gz	QUXLDZGEFZRFET-UHFFFAOYSA-N	-1	0	300.340	0.844	20	30		DCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000812782813	670596026	/nfs/dbraw/zinc/59/60/26/670596026.db2.gz	KDFOIKLZMWCXHT-UHFFFAOYSA-N	-1	0	307.262	0.014	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)[N-]OCCOC(C)C	ZINC000813055865	670608251	/nfs/dbraw/zinc/60/82/51/670608251.db2.gz	ZWLOMVMHZAHJMP-UHFFFAOYSA-N	-1	0	321.333	0.978	20	30		DCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000848133375	670639447	/nfs/dbraw/zinc/63/94/47/670639447.db2.gz	XYQLLELDLZECPG-LLVKDONJSA-N	-1	0	316.317	0.688	20	30		DCEDRM
N#C[C@H](CO)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S	ZINC000854872982	670648802	/nfs/dbraw/zinc/64/88/02/670648802.db2.gz	RAUCDSYEOYKSTO-SECBINFHSA-N	-1	0	318.358	0.076	20	30		DCEDRM
CC(C)n1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)cn1	ZINC000813978988	670666462	/nfs/dbraw/zinc/66/64/62/670666462.db2.gz	LOZZDBCJNZPHBJ-UHFFFAOYSA-N	-1	0	319.346	0.849	20	30		DCEDRM
C[C@@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981083	670667657	/nfs/dbraw/zinc/66/76/57/670667657.db2.gz	SPBQEAHVGAJGPV-BXKDBHETSA-N	-1	0	309.347	0.431	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980077	670667708	/nfs/dbraw/zinc/66/77/08/670667708.db2.gz	PLHLXVLZKWBKQT-SNVBAGLBSA-N	-1	0	309.347	0.739	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCc2nccs2)c1	ZINC000813981108	670667735	/nfs/dbraw/zinc/66/77/35/670667735.db2.gz	UKKAYMQMETUCAC-UHFFFAOYSA-N	-1	0	322.371	0.847	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2ocnc2C2CC2)c1	ZINC000813983441	670668264	/nfs/dbraw/zinc/66/82/64/670668264.db2.gz	VHVRCVOYIZDMEH-UHFFFAOYSA-N	-1	0	318.314	0.937	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)[N-]OCCSC	ZINC000814181227	670679269	/nfs/dbraw/zinc/67/92/69/670679269.db2.gz	WGWHXWDTQFHYJX-QWRGUYRKSA-N	-1	0	302.396	0.495	20	30		DCEDRM
CCN(CCO)c1ccc(C=Nn2c(=O)[n-][nH]c2=O)c(C)c1	ZINC000814233498	670681869	/nfs/dbraw/zinc/68/18/69/670681869.db2.gz	SQLYSZDEYBUQEA-UHFFFAOYSA-N	-1	0	305.338	0.699	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1c[nH]nc1-c1ccc2c(c1)OCO2	ZINC000814231691	670682034	/nfs/dbraw/zinc/68/20/34/670682034.db2.gz	LNIRUSIUKVAOFB-UHFFFAOYSA-N	-1	0	314.261	0.690	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000814844655	670704911	/nfs/dbraw/zinc/70/49/11/670704911.db2.gz	MYWWBBNMFYWFKF-IONNQARKSA-N	-1	0	300.384	0.073	20	30		DCEDRM
C[C@@H]1C(N=Nc2nc3[nH][nH]cc-3c(=O)n2)CC[C@@H]1CC(=O)[O-]	ZINC000814842549	670705060	/nfs/dbraw/zinc/70/50/60/670705060.db2.gz	BFPOPBJNHSYRHJ-NKWVEPMBSA-N	-1	0	304.310	0.721	20	30		DCEDRM
CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NNCC(N)=O	ZINC000814903840	670708340	/nfs/dbraw/zinc/70/83/40/670708340.db2.gz	DLLJBPMFPCGTQV-NSHDSACASA-N	-1	0	307.350	0.922	20	30		DCEDRM
O=C([O-])Cn1cc(CN=Nc2nc(-c3cccnc3)no2)nn1	ZINC000814950833	670709080	/nfs/dbraw/zinc/70/90/80/670709080.db2.gz	YSWIHROWJVFPDM-UHFFFAOYSA-N	-1	0	314.265	0.254	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc2c(cc1C)OCO2	ZINC000849219252	670765927	/nfs/dbraw/zinc/76/59/27/670765927.db2.gz	NUASIPCIXWMJDH-UHFFFAOYSA-N	-1	0	311.315	0.432	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)c(N(C)C)c1	ZINC000849219176	670765943	/nfs/dbraw/zinc/76/59/43/670765943.db2.gz	LNEGRGAHLLJUBJ-UHFFFAOYSA-N	-1	0	310.375	0.770	20	30		DCEDRM
CS(=O)(=O)C1(C(=O)Nc2cc(C#N)ccc2[O-])CCOCC1	ZINC000815877756	670769062	/nfs/dbraw/zinc/76/90/62/670769062.db2.gz	FWBJFDDMVSOPPB-UHFFFAOYSA-N	-1	0	324.358	0.796	20	30		DCEDRM
CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000816095077	670786129	/nfs/dbraw/zinc/78/61/29/670786129.db2.gz	PAASNCYZMQFBJP-STQMWFEESA-N	-1	0	323.374	0.963	20	30		DCEDRM
CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N	ZINC000816128670	670789289	/nfs/dbraw/zinc/78/92/89/670789289.db2.gz	RVVFGNBVPHSTOJ-SSDOTTSWSA-N	-1	0	313.291	0.306	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816731249	670850775	/nfs/dbraw/zinc/85/07/75/670850775.db2.gz	ILRJTPPOWBWSRT-UHFFFAOYSA-N	-1	0	319.325	0.119	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000817113211	670896648	/nfs/dbraw/zinc/89/66/48/670896648.db2.gz	AEPAKAAJRWVNSF-UHFFFAOYSA-N	-1	0	320.370	0.484	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])c1	ZINC000817116165	670897211	/nfs/dbraw/zinc/89/72/11/670897211.db2.gz	WZZKIBGSIJKCIG-LLVKDONJSA-N	-1	0	302.330	0.463	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1nnn(C(C)(C)C)n1	ZINC000850752203	670938129	/nfs/dbraw/zinc/93/81/29/670938129.db2.gz	LODUWGVNIBUERH-JTQLQIEISA-N	-1	0	322.369	0.293	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1coc(-c2cccnc2)n1	ZINC000850757549	670938769	/nfs/dbraw/zinc/93/87/69/670938769.db2.gz	MAOHDMWTDVLLOQ-LLVKDONJSA-N	-1	0	314.301	0.822	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)oc1C	ZINC000850757938	670938791	/nfs/dbraw/zinc/93/87/91/670938791.db2.gz	VKABZVDCTGAHQY-JTQLQIEISA-N	-1	0	308.290	0.460	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C=CC(=O)OC)o1	ZINC000850758015	670938912	/nfs/dbraw/zinc/93/89/12/670938912.db2.gz	WPCGAZPXGPAAMA-DUMNWFOQSA-N	-1	0	320.301	0.551	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000850936519	670955872	/nfs/dbraw/zinc/95/58/72/670955872.db2.gz	YGLKWUAYQHNUNP-NWDGAFQWSA-N	-1	0	318.395	0.082	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C(=O)OC(C)(C)C)C1CC1	ZINC000851000708	670960839	/nfs/dbraw/zinc/96/08/39/670960839.db2.gz	YOKNWTRBUOFNPX-LLVKDONJSA-N	-1	0	315.391	0.824	20	30		DCEDRM
CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N	ZINC000851017359	670961295	/nfs/dbraw/zinc/96/12/95/670961295.db2.gz	DDUPWDIEEHDSIJ-VHSXEESVSA-N	-1	0	304.368	0.714	20	30		DCEDRM
C[C@H]1CC[C@@H](NC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1	ZINC000858379156	670998723	/nfs/dbraw/zinc/99/87/23/670998723.db2.gz	WPZDKKFVZDFRNS-GXSJLCMTSA-N	-1	0	317.349	0.575	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)[C@H](C#N)C(=O)NC2CC2)c1	ZINC000819943317	671148654	/nfs/dbraw/zinc/14/86/54/671148654.db2.gz	CWSDKGBBCJJNPC-XMHCIUCPSA-N	-1	0	320.370	0.790	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000819970704	671150744	/nfs/dbraw/zinc/15/07/44/671150744.db2.gz	PZDLAWGVWZAGLO-NEPJUHHUSA-N	-1	0	304.350	0.579	20	30		DCEDRM
C[C@](O)(CNc1cc(Br)cnc1C#N)C(=O)[O-]	ZINC000852908652	671192667	/nfs/dbraw/zinc/19/26/67/671192667.db2.gz	NOFHQFIVBIVDIA-JTQLQIEISA-N	-1	0	300.112	0.963	20	30		DCEDRM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000852952158	671199255	/nfs/dbraw/zinc/19/92/55/671199255.db2.gz	VULGWNPFHGMYSM-QGDAWOFLSA-N	-1	0	323.349	0.376	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccnc(N2CCOCC2)n1	ZINC000860472318	671212171	/nfs/dbraw/zinc/21/21/71/671212171.db2.gz	HPXNBZOCJUMHDU-NSHDSACASA-N	-1	0	317.349	0.160	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000853205138	671218466	/nfs/dbraw/zinc/21/84/66/671218466.db2.gz	ZOPZZDISUPSAEY-QWRGUYRKSA-N	-1	0	309.384	0.075	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC000860630973	671225344	/nfs/dbraw/zinc/22/53/44/671225344.db2.gz	KJNSCKNOEDCELH-WCQYABFASA-N	-1	0	323.374	0.233	20	30		DCEDRM
CN1c2cc(C(=O)[N-]S(=O)(=O)CCC#N)ccc2OCC1=O	ZINC000860751307	671235409	/nfs/dbraw/zinc/23/54/09/671235409.db2.gz	BHZJCXWJBLMCFV-UHFFFAOYSA-N	-1	0	323.330	0.015	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)OC)O2)CC1	ZINC000860771825	671237313	/nfs/dbraw/zinc/23/73/13/671237313.db2.gz	FICYFWTXTYWGTH-ZJUUUORDSA-N	-1	0	317.363	0.262	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)c(F)c1	ZINC000861016560	671259556	/nfs/dbraw/zinc/25/95/56/671259556.db2.gz	ZVGJXYJOVPXSJW-PJXYFTJBSA-N	-1	0	324.333	0.536	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)/C=C/[C@H]2CCCO2)c1	ZINC000821192237	671260417	/nfs/dbraw/zinc/26/04/17/671260417.db2.gz	IJTRRCZHWZGNPF-PGLGOXFNSA-N	-1	0	307.331	0.493	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)n1cccn1	ZINC000821582280	671284438	/nfs/dbraw/zinc/28/44/38/671284438.db2.gz	ITIODUXNZUJVGP-ZDUSSCGKSA-N	-1	0	318.358	0.832	20	30		DCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1[N+](=O)[O-]	ZINC000821582381	671284461	/nfs/dbraw/zinc/28/44/61/671284461.db2.gz	LLFBKPIUVMKUBQ-UHFFFAOYSA-N	-1	0	313.291	0.577	20	30		DCEDRM
CCn1ccnc1C=Nn1c(C)cc(C)c(-c2nnn[n-]2)c1=O	ZINC000825804804	671472613	/nfs/dbraw/zinc/47/26/13/671472613.db2.gz	GYFHDLYRADYIKC-UHFFFAOYSA-N	-1	0	312.337	0.744	20	30		DCEDRM
CN(Cc1ccco1)C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000825986153	671476384	/nfs/dbraw/zinc/47/63/84/671476384.db2.gz	QTSASYSVBPZWKI-UHFFFAOYSA-N	-1	0	312.293	0.186	20	30		DCEDRM
Cc1ccccc1CNC(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000826307825	671483134	/nfs/dbraw/zinc/48/31/34/671483134.db2.gz	XPWLXDUJDVKAKE-UHFFFAOYSA-N	-1	0	322.332	0.560	20	30		DCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C#N)n1C	ZINC000835030753	671786634	/nfs/dbraw/zinc/78/66/34/671786634.db2.gz	IKLMEHQIFZEEGY-UHFFFAOYSA-N	-1	0	308.319	0.620	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1	ZINC000835043662	671786801	/nfs/dbraw/zinc/78/68/01/671786801.db2.gz	XMNQMMQGQFTXHW-LBPRGKRZSA-N	-1	0	310.375	0.518	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cc3n(n2)CCC3)CCCC1	ZINC000835281890	671792419	/nfs/dbraw/zinc/79/24/19/671792419.db2.gz	UYRILEQVKQFJFU-UHFFFAOYSA-N	-1	0	322.390	0.973	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(c2ccccc2)C1	ZINC000835409613	671795434	/nfs/dbraw/zinc/79/54/34/671795434.db2.gz	JXISSFNXOAACQP-GFCCVEGCSA-N	-1	0	307.375	0.873	20	30		DCEDRM
CC1(C)c2ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc2NC1=O	ZINC000835410698	671795607	/nfs/dbraw/zinc/79/56/07/671795607.db2.gz	YUSQJLAFPWSXPR-UHFFFAOYSA-N	-1	0	321.358	0.890	20	30		DCEDRM
COc1cccc(COCC(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000835412095	671795865	/nfs/dbraw/zinc/79/58/65/671795865.db2.gz	RURIJLRZNBZYKT-UHFFFAOYSA-N	-1	0	312.347	0.571	20	30		DCEDRM
COc1ccc2c(c1)OC[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)C2	ZINC000835413021	671795985	/nfs/dbraw/zinc/79/59/85/671795985.db2.gz	YANSANYWBBGPDZ-NSHDSACASA-N	-1	0	324.358	0.606	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C)c(C(N)=O)cn2)CC1	ZINC000835450170	671796725	/nfs/dbraw/zinc/79/67/25/671796725.db2.gz	WVQWKRGMFYGSDQ-UHFFFAOYSA-N	-1	0	323.374	0.657	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn2c1C[C@@H](C)CC2	ZINC000842682092	672028215	/nfs/dbraw/zinc/02/82/15/672028215.db2.gz	ZAIJZRZHJMQATJ-RYUDHWBXSA-N	-1	0	318.377	0.941	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1CCc2ncncc2C1	ZINC000842750501	672033893	/nfs/dbraw/zinc/03/38/93/672033893.db2.gz	RFGHCVXOVAAQRV-JTQLQIEISA-N	-1	0	308.363	0.331	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(C(=O)OCC)CCCC1	ZINC000842780878	672036369	/nfs/dbraw/zinc/03/63/69/672036369.db2.gz	TYLZBVWRCBMXDZ-UHFFFAOYSA-N	-1	0	301.364	0.579	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)N[C@@H](CC)C(=O)[O-])c1	ZINC000843048101	672056028	/nfs/dbraw/zinc/05/60/28/672056028.db2.gz	MZZOLRAAIVFGLY-LBPRGKRZSA-N	-1	0	304.302	0.617	20	30		DCEDRM
C#C[C@@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F	ZINC000867342816	672142356	/nfs/dbraw/zinc/14/23/56/672142356.db2.gz	DNMZEWNIWWLVKS-UGZDLDLSSA-N	-1	0	320.367	0.111	20	30		DCEDRM
CCCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000844086606	672147097	/nfs/dbraw/zinc/14/70/97/672147097.db2.gz	USKNTQSDVFDVKE-SNVBAGLBSA-N	-1	0	311.363	0.683	20	30		DCEDRM
C=CCn1cc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)nn1	ZINC000844155450	672153946	/nfs/dbraw/zinc/15/39/46/672153946.db2.gz	OEOAICCPQVUASF-IINYFYTJSA-N	-1	0	306.322	0.027	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)CC[C@@H]2CCOC2)CC1	ZINC000844819070	672204581	/nfs/dbraw/zinc/20/45/81/672204581.db2.gz	XQBUODBNFGKAHW-ZDUSSCGKSA-N	-1	0	315.391	0.543	20	30		DCEDRM
COCC[C@H](C)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844813881	672204651	/nfs/dbraw/zinc/20/46/51/672204651.db2.gz	CAQHKRYJWZBFQG-NSHDSACASA-N	-1	0	303.380	0.541	20	30		DCEDRM
C[C@@H]1C[C@@H](S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)CCO1	ZINC000844818183	672204738	/nfs/dbraw/zinc/20/47/38/672204738.db2.gz	VMSPRTQLRFRHDW-YPMHNXCESA-N	-1	0	315.391	0.684	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2cn3c(n2)CCCC3)CC1	ZINC000845510881	672254642	/nfs/dbraw/zinc/25/46/42/672254642.db2.gz	JNQSLVSPTWORTN-UHFFFAOYSA-N	-1	0	322.390	0.512	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc2c1CCNC2=O	ZINC000846147518	672297612	/nfs/dbraw/zinc/29/76/12/672297612.db2.gz	ROLBLBMBEFFJPX-UHFFFAOYSA-N	-1	0	303.318	0.535	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(C(=O)N(C)C)c1	ZINC000846152407	672297800	/nfs/dbraw/zinc/29/78/00/672297800.db2.gz	TVHPYJAZISOSHZ-SNVBAGLBSA-N	-1	0	305.334	0.949	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(CC(=O)NC)cc1	ZINC000846153449	672297828	/nfs/dbraw/zinc/29/78/28/672297828.db2.gz	YWGFKVHYXKVQLJ-JTQLQIEISA-N	-1	0	305.334	0.536	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(CNC(C)=O)cc1	ZINC000846153264	672297886	/nfs/dbraw/zinc/29/78/86/672297886.db2.gz	GZFSHLRVWSTETJ-SNVBAGLBSA-N	-1	0	305.334	0.884	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C(=O)OCC)n(C)c1	ZINC000846152667	672297953	/nfs/dbraw/zinc/29/79/53/672297953.db2.gz	CARPFIUDGAQXAS-VIFPVBQESA-N	-1	0	309.322	0.763	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)C(C)(C)Oc1ccc(C#N)cc1	ZINC000846494964	672318833	/nfs/dbraw/zinc/31/88/33/672318833.db2.gz	YBGNNEJIBMSLMP-UHFFFAOYSA-N	-1	0	305.334	0.900	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1	ZINC000846543930	672326269	/nfs/dbraw/zinc/32/62/69/672326269.db2.gz	NJPYPLCIGXDHHF-NOZJJQNGSA-N	-1	0	320.324	0.868	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000846540824	672326431	/nfs/dbraw/zinc/32/64/31/672326431.db2.gz	LAXAOUHKIFPOOM-UHFFFAOYSA-N	-1	0	323.305	0.957	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000846541939	672326508	/nfs/dbraw/zinc/32/65/08/672326508.db2.gz	QFSDCXOEWRHUHC-SECBINFHSA-N	-1	0	323.305	0.956	20	30		DCEDRM
Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)cc21	ZINC000793198050	685343894	/nfs/dbraw/zinc/34/38/94/685343894.db2.gz	UGPSXELXTWQGLO-UHFFFAOYSA-N	-1	0	319.346	0.332	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000798845388	685347923	/nfs/dbraw/zinc/34/79/23/685347923.db2.gz	JSTUJRQQPINOKO-UHFFFAOYSA-N	-1	0	316.342	0.990	20	30		DCEDRM
COCCCOCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000850929188	685370828	/nfs/dbraw/zinc/37/08/28/685370828.db2.gz	IKOARZYGRFDQHM-UHFFFAOYSA-N	-1	0	306.384	0.425	20	30		DCEDRM
C=CCOCC(=O)NCC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001075917970	694985818	/nfs/dbraw/zinc/98/58/18/694985818.db2.gz	QHPDAPVAHOLARN-VIFPVBQESA-N	-1	0	310.354	0.251	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Nc2cccnc2F)c(=O)[n-]c1=O	ZINC001671253873	1157447267	/nfs/dbraw/zinc/44/72/67/1157447267.db2.gz	WIHIMMNGWPFMBR-UHFFFAOYSA-N	-1	0	318.268	0.176	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@H]2C[C@@H](NCC#N)C2)cc1=O	ZINC001691452822	1157778020	/nfs/dbraw/zinc/77/80/20/1157778020.db2.gz	FXFKGQJULHNCPU-BETUJISGSA-N	-1	0	319.409	0.383	20	30		DCEDRM
C=CCOCC(=O)N1CCCCC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1	ZINC001566067556	1159958265	/nfs/dbraw/zinc/95/82/65/1159958265.db2.gz	MWYDYZDHNKKPBC-GFCCVEGCSA-N	-1	0	323.397	0.574	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001572249544	1163079520	/nfs/dbraw/zinc/07/95/20/1163079520.db2.gz	REIXQOHDKQHXSQ-VFZGTOFNSA-N	-1	0	324.381	0.328	20	30		DCEDRM
C[C@H](CO[N-]C(=O)Cn1cnc(C#N)n1)NC(=O)OC(C)(C)C	ZINC001566455959	1159988237	/nfs/dbraw/zinc/98/82/37/1159988237.db2.gz	WREMGCMJDGBEGX-SECBINFHSA-N	-1	0	324.341	0.111	20	30		DCEDRM
C=CCCOCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001567270658	1160291141	/nfs/dbraw/zinc/29/11/41/1160291141.db2.gz	IDSBXSZRFXVQSC-UHFFFAOYSA-N	-1	0	302.338	0.397	20	30		DCEDRM
C=CCn1cccc1C(=O)NCCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001573378657	1163420365	/nfs/dbraw/zinc/42/03/65/1163420365.db2.gz	ISYXJUFXPRMDLR-WDEREUQCSA-N	-1	0	305.334	0.241	20	30		DCEDRM
CC(C)(C(=O)NCc1nc(C(=O)[O-])n[nH]1)c1ccc(C#N)cc1	ZINC001573407875	1163429336	/nfs/dbraw/zinc/42/93/36/1163429336.db2.gz	QRLCPOCJZUXZNF-UHFFFAOYSA-N	-1	0	313.317	0.969	20	30		DCEDRM
CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001573441597	1163436479	/nfs/dbraw/zinc/43/64/79/1163436479.db2.gz	YZHPZINOSZZERV-CYBMUJFWSA-N	-1	0	321.377	0.898	20	30		DCEDRM
C[C@]1(C#N)CN(C(=O)Nc2cccn(CC(=O)[O-])c2=O)CCO1	ZINC001573589890	1163511362	/nfs/dbraw/zinc/51/13/62/1163511362.db2.gz	KKVXQSORJPXHTK-AWEZNQCLSA-N	-1	0	320.305	0.079	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	ZINC001573770929	1163548731	/nfs/dbraw/zinc/54/87/31/1163548731.db2.gz	HMTBSKAUHBLAJV-AXFHLTTASA-N	-1	0	301.368	0.404	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO	ZINC001574012746	1163624163	/nfs/dbraw/zinc/62/41/63/1163624163.db2.gz	ROAULTUXAHHNIL-PWSUYJOCSA-N	-1	0	319.317	0.267	20	30		DCEDRM
Cc1cc(NC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])ncc1C#N	ZINC001574141155	1163647364	/nfs/dbraw/zinc/64/73/64/1163647364.db2.gz	JEEJKKYCIPLYBJ-RKDXNWHRSA-N	-1	0	319.321	0.361	20	30		DCEDRM
N#Cc1c(C(=O)[O-])cnn1CC1=NS(=O)(=O)c2ccccc21	ZINC001574240984	1163672052	/nfs/dbraw/zinc/67/20/52/1163672052.db2.gz	FJPROXFNBDJQMN-UHFFFAOYSA-N	-1	0	316.298	0.645	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)cc1	ZINC001574245532	1163673292	/nfs/dbraw/zinc/67/32/92/1163673292.db2.gz	RBNRODRJHRDSCB-XJFOESAGSA-N	-1	0	300.314	0.771	20	30		DCEDRM
N#Cc1ccsc1C(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1	ZINC001574248102	1163673795	/nfs/dbraw/zinc/67/37/95/1163673795.db2.gz	CJIKWGHJJZQLCM-QWRGUYRKSA-N	-1	0	317.326	0.931	20	30		DCEDRM
CC(C)OC(=O)[C@@H](C)N(C)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001574296561	1163687462	/nfs/dbraw/zinc/68/74/62/1163687462.db2.gz	HXMMPBKKJZYTTO-MRVPVSSYSA-N	-1	0	316.325	0.305	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001575025871	1163853448	/nfs/dbraw/zinc/85/34/48/1163853448.db2.gz	ABPDFANKYKOCEJ-OAHLLOKOSA-N	-1	0	324.381	0.499	20	30		DCEDRM
CC[C@@H]1CO[C@@H](CC)CN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001577178165	1164623247	/nfs/dbraw/zinc/62/32/47/1164623247.db2.gz	RJZZLXOHPZPENH-ZJUUUORDSA-N	-1	0	314.353	0.922	20	30		DCEDRM
CN(CC1=CCSC1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579063673	1165197784	/nfs/dbraw/zinc/19/77/84/1165197784.db2.gz	IGIOSOGTOQXAJM-UHFFFAOYSA-N	-1	0	300.351	0.638	20	30		DCEDRM
CN(C[C@@H]1CCCC[C@@H]1O)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579065429	1165198778	/nfs/dbraw/zinc/19/87/78/1165198778.db2.gz	WPZJKCUXEORQFS-ONGXEEELSA-N	-1	0	314.353	0.516	20	30		DCEDRM
COC1(OC)CC(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001579602322	1165358051	/nfs/dbraw/zinc/35/80/51/1165358051.db2.gz	FNJNEYGDPKERGU-UHFFFAOYSA-N	-1	0	316.325	0.339	20	30		DCEDRM
Cc1ccccc1[C@@H](CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001581253261	1165806647	/nfs/dbraw/zinc/80/66/47/1165806647.db2.gz	PIERWPHVTQSNJF-GFCCVEGCSA-N	-1	0	322.332	0.982	20	30		DCEDRM
N#CC1(CC(=O)Nc2n[nH]cc2-c2nn[nH]n2)CCOCC1	ZINC001581857386	1165890151	/nfs/dbraw/zinc/89/01/51/1165890151.db2.gz	ZZTCQTDCWXFWSR-UHFFFAOYSA-N	-1	0	302.298	0.239	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ncc(Cl)cn2)[n-]c1-c1nn[nH]n1	ZINC001581860717	1165892790	/nfs/dbraw/zinc/89/27/90/1165892790.db2.gz	PQJASKDXOSEJNJ-UHFFFAOYSA-N	-1	0	316.672	0.157	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@]2(C#N)CC23CCCC3)[n-]c1-c1nn[nH]n1	ZINC001581859976	1165893332	/nfs/dbraw/zinc/89/33/32/1165893332.db2.gz	FRCGNFHKBIACJA-AWEZNQCLSA-N	-1	0	323.320	0.874	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)nc1-c1nnn[n-]1	ZINC001581883320	1165902637	/nfs/dbraw/zinc/90/26/37/1165902637.db2.gz	WGTPDWSHQSQJLK-BZHVJNSISA-N	-1	0	324.348	0.898	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F	ZINC001583439645	1166254515	/nfs/dbraw/zinc/25/45/15/1166254515.db2.gz	UZJXOJGZXASJBZ-LBPRGKRZSA-N	-1	0	323.324	0.423	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cc(F)c(F)cc2F)c(=O)[n-]c1=O	ZINC001585614382	1166443929	/nfs/dbraw/zinc/44/39/29/1166443929.db2.gz	MMVIPRAOJPGAKL-UHFFFAOYSA-N	-1	0	324.218	0.877	20	30		DCEDRM
C#C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1ccccc1	ZINC001588329172	1166524494	/nfs/dbraw/zinc/52/44/94/1166524494.db2.gz	ZIZWFSBVXDUIFB-SNVBAGLBSA-N	-1	0	323.316	0.452	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001588333679	1166529296	/nfs/dbraw/zinc/52/92/96/1166529296.db2.gz	BEHVLSNOXXQZIA-SNVBAGLBSA-N	-1	0	301.306	0.340	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)Cc1noc2ccccc12)C(=O)[O-]	ZINC001588423413	1166552961	/nfs/dbraw/zinc/55/29/61/1166552961.db2.gz	GFNBGVRZTZJOFX-SNVBAGLBSA-N	-1	0	308.315	0.724	20	30		DCEDRM
C=CCCC(=O)NC[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1	ZINC001588569874	1166563140	/nfs/dbraw/zinc/56/31/40/1166563140.db2.gz	GQXGDWIWURUTMQ-JTQLQIEISA-N	-1	0	316.369	0.209	20	30		DCEDRM
C=CCS(=O)(=O)CCOc1ccc(-c2nn[nH]n2)cc1OC	ZINC001588689052	1166582894	/nfs/dbraw/zinc/58/28/94/1166582894.db2.gz	WRHXWLRSMZBWOV-UHFFFAOYSA-N	-1	0	324.362	0.855	20	30		DCEDRM
C=CCn1c(-c2cnc(-c3nn[nH]n3)cn2)nnc1N(C)OC	ZINC001588700149	1166583051	/nfs/dbraw/zinc/58/30/51/1166583051.db2.gz	QPLCDZMEHUNDOX-UHFFFAOYSA-N	-1	0	314.313	0.099	20	30		DCEDRM
CC(=O)c1ccc(C#N)c(NCCn2cnc(-c3nnn[n-]3)n2)c1	ZINC001588911949	1166617557	/nfs/dbraw/zinc/61/75/57/1166617557.db2.gz	JSJMOJNIPOMKGE-UHFFFAOYSA-N	-1	0	323.320	0.645	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1	ZINC001589412783	1166656386	/nfs/dbraw/zinc/65/63/86/1166656386.db2.gz	RPSHKURQDIVCSD-NSHDSACASA-N	-1	0	313.369	0.327	20	30		DCEDRM
CC(C)N(CCC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001589682752	1166673587	/nfs/dbraw/zinc/67/35/87/1166673587.db2.gz	ZOTBNEVLHQGDLK-UHFFFAOYSA-N	-1	0	310.339	0.772	20	30		DCEDRM
CC(C)n1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cn1	ZINC001589782240	1166685243	/nfs/dbraw/zinc/68/52/43/1166685243.db2.gz	OPAPJJHOAPNGKS-UHFFFAOYSA-N	-1	0	312.297	0.491	20	30		DCEDRM
CC1(C#N)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC1	ZINC001590055113	1166760866	/nfs/dbraw/zinc/76/08/66/1166760866.db2.gz	PQUSMQGZGKCEBU-UHFFFAOYSA-N	-1	0	322.350	0.774	20	30		DCEDRM
CC1(C)C[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C(=O)O1	ZINC001590083929	1166771212	/nfs/dbraw/zinc/77/12/12/1166771212.db2.gz	PCUAVSMAULQNCY-ZCFIWIBFSA-N	-1	0	300.282	0.034	20	30		DCEDRM
CCCN(CCC)C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC001590622870	1166951812	/nfs/dbraw/zinc/95/18/12/1166951812.db2.gz	MSNWPYJPVMQTMN-UHFFFAOYSA-N	-1	0	302.342	0.583	20	30		DCEDRM
CCCn1cc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)nn1	ZINC001590664205	1166963992	/nfs/dbraw/zinc/96/39/92/1166963992.db2.gz	QWCABFOQLQWOMT-UHFFFAOYSA-N	-1	0	311.313	0.142	20	30		DCEDRM
Cc1cc(C#N)ccc1Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC001591906303	1167416392	/nfs/dbraw/zinc/41/63/92/1167416392.db2.gz	ACOLVEGGQQYGBC-UHFFFAOYSA-N	-1	0	305.305	0.745	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cnc(N(C)C)nc2)o1	ZINC001592338678	1167493139	/nfs/dbraw/zinc/49/31/39/1167493139.db2.gz	LOQQSVHNQKCRLF-UHFFFAOYSA-N	-1	0	314.313	0.465	20	30		DCEDRM
N#Cc1cccc(OCC(=O)Nc2c[nH]nc2-c2nnn[n-]2)c1	ZINC001592700159	1167605160	/nfs/dbraw/zinc/60/51/60/1167605160.db2.gz	GOBRWDRYVJJDOM-UHFFFAOYSA-N	-1	0	310.277	0.479	20	30		DCEDRM
N#Cc1ccsc1NC(=O)Cn1cc(-c2nnn[n-]2)nn1	ZINC001592703806	1167605552	/nfs/dbraw/zinc/60/55/52/1167605552.db2.gz	WQBRWGUIERWDPT-UHFFFAOYSA-N	-1	0	301.295	0.030	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2ccc(C#N)n2C)[C@@H](C(=O)[O-])C1	ZINC001598797360	1168040414	/nfs/dbraw/zinc/04/04/14/1168040414.db2.gz	NHGMIQBTARYECX-JOYOIKCWSA-N	-1	0	319.317	0.375	20	30		DCEDRM
Cc1cc(C#N)nc(N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)n1	ZINC001600075903	1168112048	/nfs/dbraw/zinc/11/20/48/1168112048.db2.gz	SLYPAQLHSGLORA-NSHDSACASA-N	-1	0	313.321	0.788	20	30		DCEDRM
Cc1ccc(Oc2c(C#N)c(=O)n(C)c(=O)n2C)cc1C(=O)[O-]	ZINC001600471472	1168188112	/nfs/dbraw/zinc/18/81/12/1168188112.db2.gz	GMTRHBQGGMLPKR-UHFFFAOYSA-N	-1	0	315.285	0.755	20	30		DCEDRM
Cc1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1C(=O)[O-]	ZINC001600454681	1168188373	/nfs/dbraw/zinc/18/83/73/1168188373.db2.gz	GLUYICKSJYSNKO-UHFFFAOYSA-N	-1	0	314.305	0.978	20	30		DCEDRM
Cc1cn2c(ncc(C(=O)N(CC#N)CCC(=O)[O-])c2=O)s1	ZINC001600613527	1168213822	/nfs/dbraw/zinc/21/38/22/1168213822.db2.gz	GRCKFDMNTRUXBM-UHFFFAOYSA-N	-1	0	320.330	0.505	20	30		DCEDRM
Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001600893324	1168496479	/nfs/dbraw/zinc/49/64/79/1168496479.db2.gz	UFFMHZTWAYZLFH-GFCCVEGCSA-N	-1	0	313.317	0.644	20	30		DCEDRM
Cn1ccc(N2CCC[C@@H](N(CC#N)CCC(=O)[O-])C2=O)n1	ZINC001600976218	1168540888	/nfs/dbraw/zinc/54/08/88/1168540888.db2.gz	WSANZMPIYXXLBQ-LLVKDONJSA-N	-1	0	305.338	0.216	20	30		DCEDRM
N#CC1(CC(=O)NCCC(=O)NCCC(=O)[O-])CCCCC1	ZINC001601054924	1168578417	/nfs/dbraw/zinc/57/84/17/1168578417.db2.gz	PICDCFQEGFWSJE-UHFFFAOYSA-N	-1	0	309.366	0.948	20	30		DCEDRM
N#C[C@]1(F)CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1	ZINC001601057366	1168578425	/nfs/dbraw/zinc/57/84/25/1168578425.db2.gz	WFXKQPFXUKVDHQ-CYBMUJFWSA-N	-1	0	312.322	0.940	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2cncc(C(=O)[O-])c2)CCN1C1CC1	ZINC001601060643	1168579203	/nfs/dbraw/zinc/57/92/03/1168579203.db2.gz	GLTXXBUZJBDMQY-ZDUSSCGKSA-N	-1	0	300.318	0.592	20	30		DCEDRM
N#CC[C@H](NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C(F)(F)F	ZINC001601061701	1168579223	/nfs/dbraw/zinc/57/92/23/1168579223.db2.gz	FBPDPEBWFXJRHR-GJMOJQLCSA-N	-1	0	309.244	0.620	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)C1	ZINC001601063226	1168580041	/nfs/dbraw/zinc/58/00/41/1168580041.db2.gz	SVAFXTLEXZEUMT-NSHDSACASA-N	-1	0	316.360	0.485	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1F	ZINC001601072793	1168581904	/nfs/dbraw/zinc/58/19/04/1168581904.db2.gz	YFXSPCGXRCDREH-UHFFFAOYSA-N	-1	0	304.274	0.705	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc([C@@H]2CCC(=O)N2)cc1	ZINC001601070098	1168581325	/nfs/dbraw/zinc/58/13/25/1168581325.db2.gz	XAGZKKBQBMSYOO-LBPRGKRZSA-N	-1	0	301.302	0.688	20	30		DCEDRM
N#CCN1CCC(CNC(=O)Cc2ccc(C(=O)[O-])nc2)CC1	ZINC001601073163	1168581693	/nfs/dbraw/zinc/58/16/93/1168581693.db2.gz	FMIQCZTWUVMIPT-UHFFFAOYSA-N	-1	0	316.361	0.674	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cc1	ZINC001601073563	1168581809	/nfs/dbraw/zinc/58/18/09/1168581809.db2.gz	CCQMPEFSWOZCHC-DZGCQCFKSA-N	-1	0	318.329	0.568	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)c2cc(C(=O)[O-])ccn2)C1	ZINC001601074952	1168582392	/nfs/dbraw/zinc/58/23/92/1168582392.db2.gz	XWTNMAUIDDQQSV-LLVKDONJSA-N	-1	0	302.334	0.745	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001601076010	1168582560	/nfs/dbraw/zinc/58/25/60/1168582560.db2.gz	USVYCOTWPZEXRV-GHMZBOCLSA-N	-1	0	304.302	0.497	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC001601078214	1168583003	/nfs/dbraw/zinc/58/30/03/1168583003.db2.gz	IONKETBBJMDGKB-CYBMUJFWSA-N	-1	0	315.329	0.097	20	30		DCEDRM
N#CCc1ccsc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001601079285	1168583065	/nfs/dbraw/zinc/58/30/65/1168583065.db2.gz	TWPZLDKEWFJFDQ-JTQLQIEISA-N	-1	0	321.358	0.620	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC001601077814	1168583159	/nfs/dbraw/zinc/58/31/59/1168583159.db2.gz	KUUMBOKYXMPMDZ-GFCCVEGCSA-N	-1	0	310.331	0.227	20	30		DCEDRM
N#Cc1cc(CN2CCOCC2)cn(CC2(C(=O)[O-])CC2)c1=O	ZINC001601088377	1168583335	/nfs/dbraw/zinc/58/33/35/1168583335.db2.gz	UFDHAGZOPBEZLG-UHFFFAOYSA-N	-1	0	317.345	0.417	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])cs1	ZINC001601085536	1168583459	/nfs/dbraw/zinc/58/34/59/1168583459.db2.gz	BNINZXLMIVJJFQ-SNVBAGLBSA-N	-1	0	310.331	0.956	20	30		DCEDRM
N#Cc1cc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)cs1	ZINC001601087537	1168583716	/nfs/dbraw/zinc/58/37/16/1168583716.db2.gz	LCLPMKTUFKHIAC-SNVBAGLBSA-N	-1	0	308.315	0.852	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCc3[nH]nc(C(=O)[O-])c3C2)cc1O	ZINC001601092949	1168584161	/nfs/dbraw/zinc/58/41/61/1168584161.db2.gz	UMOOAOPORJJNMO-UHFFFAOYSA-N	-1	0	312.285	0.884	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)NCC2(C(=O)[O-])CC2)cc1	ZINC001601094516	1168584407	/nfs/dbraw/zinc/58/44/07/1168584407.db2.gz	YUVGBBAOISZIHD-UHFFFAOYSA-N	-1	0	301.302	0.269	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)cc1	ZINC001601098622	1168584617	/nfs/dbraw/zinc/58/46/17/1168584617.db2.gz	SPJIHEYICLDEJC-INIZCTEOSA-N	-1	0	313.313	0.933	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])c(F)c1	ZINC001601103715	1168585701	/nfs/dbraw/zinc/58/57/01/1168585701.db2.gz	YJVMHNNGDNMSFK-GHMZBOCLSA-N	-1	0	312.322	0.837	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)o1	ZINC001601110834	1168586724	/nfs/dbraw/zinc/58/67/24/1168586724.db2.gz	LSDAXESXKMNNKX-UHFFFAOYSA-N	-1	0	309.303	0.530	20	30		DCEDRM
N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C(=O)[O-])CC1	ZINC001601114183	1168587805	/nfs/dbraw/zinc/58/78/05/1168587805.db2.gz	MWRXXKGLSJEUFP-UHFFFAOYSA-N	-1	0	311.275	0.362	20	30		DCEDRM
N#Cc1ccccc1/C=C/C(=O)OCC(=O)NCCC(=O)[O-]	ZINC001601126019	1168590380	/nfs/dbraw/zinc/59/03/80/1168590380.db2.gz	MFVBZTQKNWKIAY-AATRIKPKSA-N	-1	0	302.286	0.706	20	30		DCEDRM
N#Cc1cncnc1N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001601131600	1168591974	/nfs/dbraw/zinc/59/19/74/1168591974.db2.gz	IAIZOJWUAGVGEH-HNNXBMFYSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1ncc(N[C@H](CC2CCOCC2)C(=O)[O-])nc1C#N	ZINC001601134058	1168592747	/nfs/dbraw/zinc/59/27/47/1168592747.db2.gz	GADXCSWLESUJKR-SNVBAGLBSA-N	-1	0	301.306	0.902	20	30		DCEDRM
N#Cc1nccc(NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1	ZINC001601133968	1168592997	/nfs/dbraw/zinc/59/29/97/1168592997.db2.gz	AQJFGVARGXIDFK-DTWKUNHWSA-N	-1	0	301.306	0.130	20	30		DCEDRM
N#Cc1nccnc1NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001601135262	1168593577	/nfs/dbraw/zinc/59/35/77/1168593577.db2.gz	MPMOISFUHNOHPA-NXEZZACHSA-N	-1	0	315.333	0.520	20	30		DCEDRM
N#Cc1ncn(CCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1	ZINC001601136162	1168594909	/nfs/dbraw/zinc/59/49/09/1168594909.db2.gz	IWFJBISTIGEBGB-UHFFFAOYSA-N	-1	0	302.250	0.868	20	30		DCEDRM
O=C([O-])[C@@H](CC(F)F)NC(=O)C#Cc1ccc2c(c1)OCO2	ZINC001601223563	1168666068	/nfs/dbraw/zinc/66/60/68/1168666068.db2.gz	JOXCVXPTIPFOKK-SECBINFHSA-N	-1	0	311.240	0.991	20	30		DCEDRM
O=C([O-])c1cnc(N[C@@H](CNC(=O)C#CC2CC2)C2CC2)nc1	ZINC001601224419	1168666261	/nfs/dbraw/zinc/66/62/61/1168666261.db2.gz	UWTFJKDFQGBNIL-ZDUSSCGKSA-N	-1	0	314.345	0.895	20	30		DCEDRM
O=C([O-])c1nc(C(=O)NCc2ccc(C(=O)NO)cc2)cs1	ZINC001601563449	1168781814	/nfs/dbraw/zinc/78/18/14/1168781814.db2.gz	LDIXBBRSOHTLBA-UHFFFAOYSA-N	-1	0	321.314	0.890	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)[C@@H]1CCCO1	ZINC001602673783	1169155466	/nfs/dbraw/zinc/15/54/66/1169155466.db2.gz	JQOAURPGDMHLPB-NEPJUHHUSA-N	-1	0	305.334	0.567	20	30		DCEDRM
C#C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccc(F)cc1	ZINC001602674236	1169155849	/nfs/dbraw/zinc/15/58/49/1169155849.db2.gz	NDWFDVOAXUZXJM-LLVKDONJSA-N	-1	0	302.265	0.606	20	30		DCEDRM
C#C[C@@H](NC(=O)Nc1nc2n(c1C(=O)[O-])CCC2)[C@@H]1CCCO1	ZINC001602674877	1169156857	/nfs/dbraw/zinc/15/68/57/1169156857.db2.gz	XBJUGPRJGYKVBY-ZJUUUORDSA-N	-1	0	318.333	0.830	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@@H]1C(=O)Nc2c1cccc2F)C(=O)[O-]	ZINC001602686887	1169158567	/nfs/dbraw/zinc/15/85/67/1169158567.db2.gz	AJVSUGBEOSXNIY-GXSJLCMTSA-N	-1	0	304.277	0.844	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1	ZINC001602683126	1169158818	/nfs/dbraw/zinc/15/88/18/1169158818.db2.gz	ITFLXCYDTUAXRH-VIFPVBQESA-N	-1	0	302.290	0.767	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1c(C)nn(C)c1-n1cccn1)C(=O)[O-]	ZINC001602692884	1169162987	/nfs/dbraw/zinc/16/29/87/1169162987.db2.gz	XHWDRTZTVJCUDY-SNVBAGLBSA-N	-1	0	301.306	0.121	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)C1	ZINC001602699954	1169164982	/nfs/dbraw/zinc/16/49/82/1169164982.db2.gz	NHDWCTVFOCVZLS-JHJVBQTASA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#CC[C@@H]1CCCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1	ZINC001602701283	1169165093	/nfs/dbraw/zinc/16/50/93/1169165093.db2.gz	DTUPGUUGIYQRPV-SNVBAGLBSA-N	-1	0	311.363	0.840	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001602701577	1169165638	/nfs/dbraw/zinc/16/56/38/1169165638.db2.gz	OJNVOHACOAGEOB-SNVBAGLBSA-N	-1	0	312.347	0.141	20	30		DCEDRM
C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1	ZINC001602710467	1169165709	/nfs/dbraw/zinc/16/57/09/1169165709.db2.gz	GCNRJBFWYURZET-QWHCGFSZSA-N	-1	0	324.377	0.244	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001602701673	1169165791	/nfs/dbraw/zinc/16/57/91/1169165791.db2.gz	SETODDMHANCVFY-NSHDSACASA-N	-1	0	308.338	0.599	20	30		DCEDRM
C#CCCCC(=O)O[C@@H]1C[C@@H](C(=O)[O-])N(c2cnccn2)C1	ZINC001602702559	1169166869	/nfs/dbraw/zinc/16/68/69/1169166869.db2.gz	GLIVBHMLVALWSR-NEPJUHHUSA-N	-1	0	303.318	0.855	20	30		DCEDRM
C#CCN(CC1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001602718531	1169170627	/nfs/dbraw/zinc/17/06/27/1169170627.db2.gz	WWDQUKQPYGZSHN-UHFFFAOYSA-N	-1	0	307.335	0.494	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001602725749	1169173651	/nfs/dbraw/zinc/17/36/51/1169173651.db2.gz	GSGFOKGTDNAKOF-PWSUYJOCSA-N	-1	0	318.333	0.226	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001602734317	1169176517	/nfs/dbraw/zinc/17/65/17/1169176517.db2.gz	KVVOPWRVJJLTFK-MNOVXSKESA-N	-1	0	312.391	0.229	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(CC)C1=O)C(=O)[O-]	ZINC001602749181	1169177623	/nfs/dbraw/zinc/17/76/23/1169177623.db2.gz	QAJDEQVLUHOONE-XPTSAGLGSA-N	-1	0	311.338	0.243	20	30		DCEDRM
C=C(C)COCCNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001602762436	1169181042	/nfs/dbraw/zinc/18/10/42/1169181042.db2.gz	PPYUDFJJBWNANH-NSHDSACASA-N	-1	0	323.353	0.525	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCOC)C[C@H](O)C(F)(F)F	ZINC001602774824	1169182809	/nfs/dbraw/zinc/18/28/09/1169182809.db2.gz	YIFXPLBBONUARA-VIFPVBQESA-N	-1	0	313.272	0.806	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001602787545	1169182841	/nfs/dbraw/zinc/18/28/41/1169182841.db2.gz	KHNZBQPACASCCY-CQSZACIVSA-N	-1	0	310.306	0.328	20	30		DCEDRM
C=C(Cn1c2c(cc(-c3nnn[n-]3)c1=O)CCC2)C(=O)OCC	ZINC001602770142	1169183134	/nfs/dbraw/zinc/18/31/34/1169183134.db2.gz	GTEOHQQBYAZQDE-UHFFFAOYSA-N	-1	0	315.333	0.636	20	30		DCEDRM
C=C(Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2)C(=O)OCC	ZINC001602770225	1169183232	/nfs/dbraw/zinc/18/32/32/1169183232.db2.gz	ILNKJNFEEORUOH-UHFFFAOYSA-N	-1	0	315.333	0.636	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C(=O)OCC)[C@@H]1CCCOC1	ZINC001602777672	1169183303	/nfs/dbraw/zinc/18/33/03/1169183303.db2.gz	APVZMZXTFKICAG-YPMHNXCESA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@](C)(Cn1cccn1)C(=O)OC	ZINC001602778278	1169183667	/nfs/dbraw/zinc/18/36/67/1169183667.db2.gz	MZPJMKGXJNNHDX-CQSZACIVSA-N	-1	0	309.322	0.352	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC/C=C/CNc1ccnc(C(=O)[O-])n1	ZINC001602810433	1169186578	/nfs/dbraw/zinc/18/65/78/1169186578.db2.gz	YBFPNSBQHBFNKU-MBVDDHJVSA-N	-1	0	320.349	0.008	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)C1	ZINC001602805649	1169187079	/nfs/dbraw/zinc/18/70/79/1169187079.db2.gz	FCFSENDSKVYWTD-NEPJUHHUSA-N	-1	0	320.389	0.980	20	30		DCEDRM
C=C[C@H](COC)NC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001602817433	1169188407	/nfs/dbraw/zinc/18/84/07/1169188407.db2.gz	WUTKACCRHCJXEZ-NXEZZACHSA-N	-1	0	308.338	0.916	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1CCOC	ZINC001602820176	1169189007	/nfs/dbraw/zinc/18/90/07/1169189007.db2.gz	DNYBBAMBTHJKCI-MXWKQRLJSA-N	-1	0	310.354	0.301	20	30		DCEDRM
C=CCCC(=O)NC/C=C/CNc1ccnc(-c2nnn[n-]2)n1	ZINC001602827354	1169191396	/nfs/dbraw/zinc/19/13/96/1169191396.db2.gz	WBSBXGFHUJQJKJ-SNAWJCMRSA-N	-1	0	314.353	0.129	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)c2ccc(-c3nn[nH]n3)c(N)n2)C1=O	ZINC001602862154	1169194228	/nfs/dbraw/zinc/19/42/28/1169194228.db2.gz	FASBXWIEMNROPS-SNVBAGLBSA-N	-1	0	314.353	0.067	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@]1(C)CCCS1(=O)=O)C(=O)[O-]	ZINC001602862451	1169194335	/nfs/dbraw/zinc/19/43/35/1169194335.db2.gz	FIAILEPCIRMEPV-ZWNOBZJWSA-N	-1	0	303.380	0.879	20	30		DCEDRM
C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])CCO2	ZINC001602856089	1169194340	/nfs/dbraw/zinc/19/43/40/1169194340.db2.gz	SXWAVGVKSKGIAV-RYUDHWBXSA-N	-1	0	322.361	0.113	20	30		DCEDRM
C=CCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001602855900	1169194602	/nfs/dbraw/zinc/19/46/02/1169194602.db2.gz	IHUTUEYBTVBNFT-NEPJUHHUSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=CCCC(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001602855804	1169194972	/nfs/dbraw/zinc/19/49/72/1169194972.db2.gz	CHLDHHCQPFYIMG-VXGBXAGGSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=CCCC[C@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)[O-]	ZINC001602865823	1169195920	/nfs/dbraw/zinc/19/59/20/1169195920.db2.gz	RNROFHFDOIDCSJ-NSHDSACASA-N	-1	0	318.395	0.338	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001602880063	1169198089	/nfs/dbraw/zinc/19/80/89/1169198089.db2.gz	BFPULADSMMMQBX-WDEREUQCSA-N	-1	0	319.379	0.621	20	30		DCEDRM
C=CCOCC(=O)NC[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001602906672	1169201505	/nfs/dbraw/zinc/20/15/05/1169201505.db2.gz	KHWVPZWNBFIKSS-LLVKDONJSA-N	-1	0	320.349	0.320	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@H](CNc2ccnc(C(=O)[O-])n2)C1	ZINC001602906493	1169202277	/nfs/dbraw/zinc/20/22/77/1169202277.db2.gz	IFZCESYRERTUSM-LLVKDONJSA-N	-1	0	320.349	0.060	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)C(=O)[O-]	ZINC001602910480	1169203571	/nfs/dbraw/zinc/20/35/71/1169203571.db2.gz	ZDMYYTPATYDIMK-CHWSQXEVSA-N	-1	0	318.329	0.633	20	30		DCEDRM
C=CCOCCCC(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001602915811	1169204045	/nfs/dbraw/zinc/20/40/45/1169204045.db2.gz	ZJGGTUTZAMVSJC-NWDGAFQWSA-N	-1	0	313.350	0.834	20	30		DCEDRM
C=CCOC[C@H](NCc1nc(Br)c[nH]1)C(=O)[O-]	ZINC001602915095	1169204053	/nfs/dbraw/zinc/20/40/53/1169204053.db2.gz	PJNRTDXVUWSHTL-ZETCQYMHSA-N	-1	0	304.144	0.918	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cccnc1Cl)C(=O)[O-]	ZINC001602915232	1169205000	/nfs/dbraw/zinc/20/50/00/1169205000.db2.gz	HFDJAWOAHRGSAB-MRVPVSSYSA-N	-1	0	320.754	0.669	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001602924693	1169208500	/nfs/dbraw/zinc/20/85/00/1169208500.db2.gz	AYFLPRZRDDGEQN-MNOVXSKESA-N	-1	0	306.318	0.554	20	30		DCEDRM
C=CCS(=O)(=O)C[C@@H](O)COc1ccc(C(=O)[O-])cc1	ZINC001602924836	1169209291	/nfs/dbraw/zinc/20/92/91/1169209291.db2.gz	HNHIVXLIJSGWOW-NSHDSACASA-N	-1	0	300.332	0.725	20	30		DCEDRM
C=CCn1c([C@H](O)CC)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC001602931743	1169210370	/nfs/dbraw/zinc/21/03/70/1169210370.db2.gz	AODZXDKQOHJXCL-GMTAPVOTSA-N	-1	0	310.354	0.586	20	30		DCEDRM
C=CCn1c(CC(C)C)nnc1N1C[C@@H](CC(=O)[O-])[C@H](O)C1	ZINC001602933585	1169210484	/nfs/dbraw/zinc/21/04/84/1169210484.db2.gz	ZKAGFOOMYNQJGJ-VXGBXAGGSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C=CCn1c(-c2cscn2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602931422	1169211220	/nfs/dbraw/zinc/21/12/20/1169211220.db2.gz	UCWMTMUMOGJRHR-JTQLQIEISA-N	-1	0	321.362	0.877	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001602942148	1169215108	/nfs/dbraw/zinc/21/51/08/1169215108.db2.gz	RIBGMALNIIOZCI-KOLCDFICSA-N	-1	0	320.301	0.853	20	30		DCEDRM
C=C[C@H](CO)NC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1	ZINC001602944625	1169215967	/nfs/dbraw/zinc/21/59/67/1169215967.db2.gz	DQIGCVFEQFNYDV-JXRVJTEKSA-N	-1	0	314.407	0.962	20	30		DCEDRM
C[C@H](C(=O)Nc1cc(CC#N)ccn1)n1cnc(-c2nnn[n-]2)n1	ZINC001603025835	1169234822	/nfs/dbraw/zinc/23/48/22/1169234822.db2.gz	WWSPAISPLPQMAY-MRVPVSSYSA-N	-1	0	324.308	0.119	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@H](Nc1ncc(C(=O)[O-])cn1)C1CC1	ZINC001603129943	1169250475	/nfs/dbraw/zinc/25/04/75/1169250475.db2.gz	PORURHZFHVEXIM-KCJUWKMLSA-N	-1	0	303.322	0.641	20	30		DCEDRM
C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC001603131914	1169250651	/nfs/dbraw/zinc/25/06/51/1169250651.db2.gz	OMAYIHJRCKHJAX-ZETCQYMHSA-N	-1	0	313.291	0.826	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC/C=C/CNc1ccnc(C(=O)[O-])n1	ZINC001603295572	1169288519	/nfs/dbraw/zinc/28/85/19/1169288519.db2.gz	DAGXATLVIMYGBM-SNAWJCMRSA-N	-1	0	316.361	0.731	20	30		DCEDRM
CC(C)(O)CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001603690664	1169356219	/nfs/dbraw/zinc/35/62/19/1169356219.db2.gz	BIKSEVLSJDZIMH-UHFFFAOYSA-N	-1	0	312.347	0.696	20	30		DCEDRM
CC1(C)[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)[C@H]2CCO[C@H]21	ZINC001603758691	1169380585	/nfs/dbraw/zinc/38/05/85/1169380585.db2.gz	ZCNJFAJTBWLDCT-NZXMKCKXSA-N	-1	0	312.337	0.754	20	30		DCEDRM
C[C@@H](CC#N)NC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001604059779	1169483173	/nfs/dbraw/zinc/48/31/73/1169483173.db2.gz	IWSGRAARBCTGSI-VIFPVBQESA-N	-1	0	304.306	0.925	20	30		DCEDRM
C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)CC(C)(C)C#N)CC1	ZINC001604114093	1169497764	/nfs/dbraw/zinc/49/77/64/1169497764.db2.gz	BOUPUUDCWMXVQW-NSHDSACASA-N	-1	0	317.411	0.347	20	30		DCEDRM
CCCCN(CCOC)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001604182845	1169515443	/nfs/dbraw/zinc/51/54/43/1169515443.db2.gz	XAFJJHOBBYHERT-UHFFFAOYSA-N	-1	0	302.342	0.781	20	30		DCEDRM
C[C@@H](OC(=O)c1cccc(C(=O)[O-])n1)C(=O)NC1(C#N)CCC1	ZINC001604418823	1169590928	/nfs/dbraw/zinc/59/09/28/1169590928.db2.gz	VXLLRVKCMFRKRV-SECBINFHSA-N	-1	0	317.301	0.888	20	30		DCEDRM
CC1(C)OC[C@H](/C=C\C(=O)N2CCC(C#N)(C(=O)[O-])CC2)O1	ZINC001604562366	1169618729	/nfs/dbraw/zinc/61/87/29/1169618729.db2.gz	SIHFKXMTAYVEDA-BYCRGOAPSA-N	-1	0	308.334	0.911	20	30		DCEDRM
CN(C[C@H]1CCC[C@H]1O)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001604729646	1169664777	/nfs/dbraw/zinc/66/47/77/1169664777.db2.gz	YCXSONZLXFPOPX-PSASIEDQSA-N	-1	0	300.326	0.126	20	30		DCEDRM
CNc1ccc(C#N)cc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC001604898946	1169736447	/nfs/dbraw/zinc/73/64/47/1169736447.db2.gz	NJNWCRVXSQPQSP-UHFFFAOYSA-N	-1	0	324.308	0.010	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC001605418250	1169916087	/nfs/dbraw/zinc/91/60/87/1169916087.db2.gz	VEYWNYJFXNGACO-ONGXEEELSA-N	-1	0	321.424	0.263	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N(C)C[C@H](C)C#N	ZINC001605505064	1169941357	/nfs/dbraw/zinc/94/13/57/1169941357.db2.gz	VUCLWJFHYMFBFY-SSDOTTSWSA-N	-1	0	301.310	0.507	20	30		DCEDRM
CN(C(=O)C(=O)Nc1ccc(C#N)cc1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001605949576	1170033285	/nfs/dbraw/zinc/03/32/85/1170033285.db2.gz	IAZMANYYGZUBIG-KLPPZKSPSA-N	-1	0	301.302	0.818	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1nccn1CC(F)F	ZINC001606018485	1170051290	/nfs/dbraw/zinc/05/12/90/1170051290.db2.gz	XKXAGLLYNYGOGC-UHFFFAOYSA-N	-1	0	319.279	0.753	20	30		DCEDRM
CN(C)S(=O)(=O)N(CC#N)Cc1ccc(C(=O)[O-])cc1F	ZINC001606039265	1170061969	/nfs/dbraw/zinc/06/19/69/1170061969.db2.gz	LSTGRWZKHWHVGA-UHFFFAOYSA-N	-1	0	315.326	0.656	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1	ZINC001606044081	1170063467	/nfs/dbraw/zinc/06/34/67/1170063467.db2.gz	ZDTJJXLLCADUCG-CHWSQXEVSA-N	-1	0	303.318	0.284	20	30		DCEDRM
CN(CCC#N)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC001606105600	1170077475	/nfs/dbraw/zinc/07/74/75/1170077475.db2.gz	HSOFFHBJOBHFBB-UHFFFAOYSA-N	-1	0	306.278	0.759	20	30		DCEDRM
CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)C#CC1CC1	ZINC001606126437	1170085329	/nfs/dbraw/zinc/08/53/29/1170085329.db2.gz	CMBJCLSURSNQLJ-UHFFFAOYSA-N	-1	0	302.334	0.483	20	30		DCEDRM
N#CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC1	ZINC001606345760	1170165679	/nfs/dbraw/zinc/16/56/79/1170165679.db2.gz	OZAQUDCRGBLTGH-UHFFFAOYSA-N	-1	0	308.323	0.384	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc[nH]c2=S)[n-]c1-c1nn[nH]n1	ZINC001606355483	1170169551	/nfs/dbraw/zinc/16/95/51/1170169551.db2.gz	DLWOEITYDCFVQA-UHFFFAOYSA-N	-1	0	313.306	0.397	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)C[C@H]1C(=O)[O-]	ZINC001606418191	1170193423	/nfs/dbraw/zinc/19/34/23/1170193423.db2.gz	LSVKFMGJUMGJBQ-CHWSQXEVSA-N	-1	0	316.313	0.433	20	30		DCEDRM
COC(=O)C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC001606441726	1170203615	/nfs/dbraw/zinc/20/36/15/1170203615.db2.gz	ATQXRVOBAKKHTN-JTQLQIEISA-N	-1	0	310.693	0.958	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(C#N)c(O)c1	ZINC001606504891	1170222130	/nfs/dbraw/zinc/22/21/30/1170222130.db2.gz	HJIDTSQEKDFEBA-SNVBAGLBSA-N	-1	0	306.274	0.400	20	30		DCEDRM
COC(=O)c1cc(C#N)c(=O)n(Cc2ccc(C(=O)[O-])cn2)c1	ZINC001606535049	1170228992	/nfs/dbraw/zinc/22/89/92/1170228992.db2.gz	QASCDRNEVHMDJG-UHFFFAOYSA-N	-1	0	313.269	0.648	20	30		DCEDRM
COCCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001606928085	1170331226	/nfs/dbraw/zinc/33/12/26/1170331226.db2.gz	RXUIPPZEJYGYIU-GPCCPHFNSA-N	-1	0	323.328	0.555	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001607064903	1170376483	/nfs/dbraw/zinc/37/64/83/1170376483.db2.gz	BQFQUYDETZGPEY-GHMZBOCLSA-N	-1	0	304.302	0.474	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@]1(C)C(=O)[O-]	ZINC001607478966	1170463388	/nfs/dbraw/zinc/46/33/88/1170463388.db2.gz	HYDVVKBDLCUDHM-ZANVPECISA-N	-1	0	309.347	0.685	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1C#N	ZINC001607962987	1170535744	/nfs/dbraw/zinc/53/57/44/1170535744.db2.gz	KYWVQLFCKIUFIC-NSHDSACASA-N	-1	0	316.317	0.523	20	30		DCEDRM
Cc1nn(C)c(Cl)c1/C=C/C(=O)c1cn(CC(=O)[O-])nn1	ZINC001607998824	1170544510	/nfs/dbraw/zinc/54/45/10/1170544510.db2.gz	WULBLIAVNKLLSM-ONEGZZNKSA-N	-1	0	309.713	0.954	20	30		DCEDRM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](O)CC(=O)[O-]	ZINC001608031844	1170554136	/nfs/dbraw/zinc/55/41/36/1170554136.db2.gz	QASITSCHSBYJLX-SNVBAGLBSA-N	-1	0	317.301	0.816	20	30		DCEDRM
Cn1c(CN(CCC#N)CCN2CCOCC2)ccc1C(=O)[O-]	ZINC001608085379	1170567830	/nfs/dbraw/zinc/56/78/30/1170567830.db2.gz	BBOSSBQSTPUFAR-UHFFFAOYSA-N	-1	0	320.393	0.771	20	30		DCEDRM
Cn1nnc2cc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)cnc21	ZINC001608168524	1170608500	/nfs/dbraw/zinc/60/85/00/1170608500.db2.gz	SDAQXVOVUVZWLQ-UHFFFAOYSA-N	-1	0	314.305	0.194	20	30		DCEDRM
N#C[C@@]1(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])CC12CCCC2	ZINC001608171956	1170609473	/nfs/dbraw/zinc/60/94/73/1170609473.db2.gz	KBOHMLXIPDLRSS-QMTHXVAHSA-N	-1	0	303.322	0.322	20	30		DCEDRM
N#CC[C@H](NC(=O)NC[C@]1(C(=O)[O-])CCOC1)C(F)(F)F	ZINC001608178955	1170610693	/nfs/dbraw/zinc/61/06/93/1170610693.db2.gz	UAZZQRGJMIPKDP-OIBJUYFYSA-N	-1	0	309.244	0.621	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CCN1C1CC1	ZINC001608180157	1170610802	/nfs/dbraw/zinc/61/08/02/1170610802.db2.gz	VJEYATAGBLPESH-MELADBBJSA-N	-1	0	321.377	0.598	20	30		DCEDRM
N#CC[C@@H](NC(=O)NC[C@@]1(C(=O)[O-])CCOC1)C(F)(F)F	ZINC001608178958	1170610836	/nfs/dbraw/zinc/61/08/36/1170610836.db2.gz	UAZZQRGJMIPKDP-XCBNKYQSSA-N	-1	0	309.244	0.621	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CCN(Cc2ccccc2)C1=O	ZINC001608184523	1170611458	/nfs/dbraw/zinc/61/14/58/1170611458.db2.gz	YJPWPCCOGDJNFR-ZDUSSCGKSA-N	-1	0	315.329	0.472	20	30		DCEDRM
N#CCCN(C(=O)CN1CC[C@@](O)(C(=O)[O-])C1)c1ccccc1	ZINC001608182865	1170611766	/nfs/dbraw/zinc/61/17/66/1170611766.db2.gz	PBFARMGFAPAGIL-INIZCTEOSA-N	-1	0	317.345	0.455	20	30		DCEDRM
N#C[C@H]1C[C@H]1C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001608190948	1170612512	/nfs/dbraw/zinc/61/25/12/1170612512.db2.gz	FGFRWJQTTLDOLS-QNSHHTMESA-N	-1	0	319.342	0.827	20	30		DCEDRM
N#CCc1cccc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)c1	ZINC001608189800	1170612791	/nfs/dbraw/zinc/61/27/91/1170612791.db2.gz	NAWWNSUFMBOILW-UHFFFAOYSA-N	-1	0	313.313	0.767	20	30		DCEDRM
N#Cc1ccc(C(=O)NCCC(=O)NCCC(=O)[O-])cc1Cl	ZINC001608200108	1170613615	/nfs/dbraw/zinc/61/36/15/1170613615.db2.gz	CTRNCRVXRLDZLW-UHFFFAOYSA-N	-1	0	323.736	0.922	20	30		DCEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@@H](CC(N)=O)C2)cc1	ZINC001608199697	1170613749	/nfs/dbraw/zinc/61/37/49/1170613749.db2.gz	NUXPDNAJFFJLJM-JSGCOSHPSA-N	-1	0	303.318	0.260	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CCc2ccc(C(N)=O)cc2)c1=O	ZINC001608195947	1170613922	/nfs/dbraw/zinc/61/39/22/1170613922.db2.gz	JAMGNLCTRPTQNY-UHFFFAOYSA-N	-1	0	311.297	0.760	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cc1O	ZINC001608199209	1170613938	/nfs/dbraw/zinc/61/39/38/1170613938.db2.gz	XSZIACNHSJVHBS-NSHDSACASA-N	-1	0	317.301	0.069	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CN2CC(F)(F)C[C@H]2C(=O)[O-])cc1	ZINC001608204410	1170614684	/nfs/dbraw/zinc/61/46/84/1170614684.db2.gz	AHGXPPNHGMZFJW-LBPRGKRZSA-N	-1	0	323.299	0.969	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])cc1	ZINC001608200648	1170614831	/nfs/dbraw/zinc/61/48/31/1170614831.db2.gz	NKCBCXWPGZNFTC-LBPRGKRZSA-N	-1	0	304.302	0.894	20	30		DCEDRM
N#Cc1ccc(NC2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nn1	ZINC001608208788	1170616177	/nfs/dbraw/zinc/61/61/77/1170616177.db2.gz	PFQVHQKDDFNVNB-VXGBXAGGSA-N	-1	0	315.333	0.472	20	30		DCEDRM
N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nc1	ZINC001608208671	1170616407	/nfs/dbraw/zinc/61/64/07/1170616407.db2.gz	KKGWIQNREZOXCB-HHDBNCKJSA-N	-1	0	300.318	0.758	20	30		DCEDRM
N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1	ZINC001608209087	1170616430	/nfs/dbraw/zinc/61/64/30/1170616430.db2.gz	WEZBHVQPLKGYNB-COUIAZAYSA-N	-1	0	301.306	0.153	20	30		DCEDRM
N#Cc1cccc(N2CCN(c3nccnc3C(=O)[O-])CC2)n1	ZINC001608217045	1170617593	/nfs/dbraw/zinc/61/75/93/1170617593.db2.gz	JKUXRMSOJROHRT-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1cnc(N2CCC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cn1	ZINC001608222224	1170618157	/nfs/dbraw/zinc/61/81/57/1170618157.db2.gz	BKCMQRPHSWRDQP-VXGBXAGGSA-N	-1	0	315.333	0.154	20	30		DCEDRM
N#Cc1cnc(Cn2cnc3cc(C(=O)[O-])ccc3c2=O)nc1	ZINC001608222591	1170618487	/nfs/dbraw/zinc/61/84/87/1170618487.db2.gz	DYQRJTGJZZZVHD-UHFFFAOYSA-N	-1	0	307.269	0.805	20	30		DCEDRM
N#Cc1ccsc1NC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001608222462	1170618694	/nfs/dbraw/zinc/61/86/94/1170618694.db2.gz	DQDMURXRCMHLRD-SECBINFHSA-N	-1	0	305.315	0.848	20	30		DCEDRM
N#Cc1ncn(CC(=O)NC2(C(=O)[O-])CCCCC2)c1C#N	ZINC001608225656	1170619636	/nfs/dbraw/zinc/61/96/36/1170619636.db2.gz	WWTPEZHZWHHFJL-UHFFFAOYSA-N	-1	0	301.306	0.530	20	30		DCEDRM
O=C([O-])c1cnc(N2CC[C@@H](CNC(=O)C#CC3CC3)C2)nc1	ZINC001608277344	1170640447	/nfs/dbraw/zinc/64/04/47/1170640447.db2.gz	HVEREPHYHNGPER-LBPRGKRZSA-N	-1	0	314.345	0.531	20	30		DCEDRM
O=C([O-])c1cc(Cl)ccc1S(=O)(=O)O[C@H]1CNOC1	ZINC001608847194	1170764806	/nfs/dbraw/zinc/76/48/06/1170764806.db2.gz	MHZBAXWUGLRJFO-ZETCQYMHSA-N	-1	0	307.711	0.647	20	30		DCEDRM
O=C([O-])c1cn([C@@H]2CCN(C(=O)C#Cc3cccs3)C2)nn1	ZINC001608959049	1170775291	/nfs/dbraw/zinc/77/52/91/1170775291.db2.gz	JCMSGIGPZSRXSF-SNVBAGLBSA-N	-1	0	316.342	0.863	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)[C@H]1CCCO1	ZINC001609054345	1170793609	/nfs/dbraw/zinc/79/36/09/1170793609.db2.gz	HMZHBALBDHSHNF-XQQFMLRXSA-N	-1	0	310.350	0.034	20	30		DCEDRM
C[C@H](C(=O)OCc1cccc(C#N)c1)n1cnc(-c2nnn[n-]2)n1	ZINC001609072601	1170800921	/nfs/dbraw/zinc/80/09/21/1170800921.db2.gz	XMUNPCIPXUQRHO-SECBINFHSA-N	-1	0	324.304	0.634	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC001609105110	1170810691	/nfs/dbraw/zinc/81/06/91/1170810691.db2.gz	JWNYRMYBNOPQHR-MRVPVSSYSA-N	-1	0	310.331	0.275	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)NC[C@@H](CC)C(=O)[O-])c1	ZINC001609167499	1170838117	/nfs/dbraw/zinc/83/81/17/1170838117.db2.gz	CBYWBGGXELLWHV-LLVKDONJSA-N	-1	0	318.329	0.864	20	30		DCEDRM
CCOC(=O)C(C)(C)C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC001609231847	1170884743	/nfs/dbraw/zinc/88/47/43/1170884743.db2.gz	WTEWEHRTCXIHPX-UHFFFAOYSA-N	-1	0	317.309	0.093	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001609266892	1170903843	/nfs/dbraw/zinc/90/38/43/1170903843.db2.gz	FLGZSLFXUGPFAI-SECBINFHSA-N	-1	0	310.281	0.780	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)[O-]	ZINC001609442704	1170979093	/nfs/dbraw/zinc/97/90/93/1170979093.db2.gz	BSOGIOALADYHDE-ZDUSSCGKSA-N	-1	0	316.313	0.914	20	30		DCEDRM
C=CCn1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)nn1	ZINC001609485267	1170996265	/nfs/dbraw/zinc/99/62/65/1170996265.db2.gz	KDQBLIWYBSCNSK-LLVKDONJSA-N	-1	0	307.354	0.085	20	30		DCEDRM
N#CCCOCCn1cc2c(c(-c3nnn[n-]3)c1=O)CCCC2	ZINC001609495394	1170996586	/nfs/dbraw/zinc/99/65/86/1170996586.db2.gz	KDYCQVUTNRTYLK-UHFFFAOYSA-N	-1	0	314.349	0.837	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc3c(c2)COC3)[n-]c1-c1nn[nH]n1	ZINC001609496622	1170997617	/nfs/dbraw/zinc/99/76/17/1170997617.db2.gz	YBISZUFGIDLHNV-UHFFFAOYSA-N	-1	0	322.288	0.744	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CCOCC1CCCC1	ZINC001609496542	1170997786	/nfs/dbraw/zinc/99/77/86/1170997786.db2.gz	SHBNQBKJEILWGD-UHFFFAOYSA-N	-1	0	302.342	0.724	20	30		DCEDRM
C[C@H](C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)n1cnc(C#N)n1	ZINC001609632390	1171055513	/nfs/dbraw/zinc/05/55/13/1171055513.db2.gz	NWLBYVYPNPWLKK-MWLCHTKSSA-N	-1	0	311.301	0.926	20	30		DCEDRM
C[C@@H](C(=O)N(CCC(=O)[O-])C1CCOCC1)n1cnc(C#N)n1	ZINC001609632321	1171055847	/nfs/dbraw/zinc/05/58/47/1171055847.db2.gz	KNTLLKNBZUCLDO-JTQLQIEISA-N	-1	0	321.337	0.193	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC001609630805	1171056172	/nfs/dbraw/zinc/05/61/72/1171056172.db2.gz	FPZDCSHFTGCYPI-NEPJUHHUSA-N	-1	0	323.393	0.954	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC001609702139	1171070554	/nfs/dbraw/zinc/07/05/54/1171070554.db2.gz	LSWQAFUIHLBJPV-LBPRGKRZSA-N	-1	0	318.333	0.299	20	30		DCEDRM
C[C@@H](CS(=O)(=O)NCc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001609747393	1171077200	/nfs/dbraw/zinc/07/72/00/1171077200.db2.gz	BJQYMEOCSSXLLZ-JTQLQIEISA-N	-1	0	312.347	0.729	20	30		DCEDRM
C[C@H](NC(=O)N1CC[C@](O)(CC#N)C1)c1ncc(C(=O)[O-])s1	ZINC001609762388	1171080689	/nfs/dbraw/zinc/08/06/89/1171080689.db2.gz	KKZMXSIFJFUMJO-ISVAXAHUSA-N	-1	0	324.362	0.962	20	30		DCEDRM
CC[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC)C(=O)[O-]	ZINC001609918365	1171121646	/nfs/dbraw/zinc/12/16/46/1171121646.db2.gz	DWKNTNFRRMUWHY-JTQLQIEISA-N	-1	0	319.317	0.732	20	30		DCEDRM
COC(=O)COCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001610185339	1171191200	/nfs/dbraw/zinc/19/12/00/1171191200.db2.gz	QTKKGJOVPKQMHW-ZDUSSCGKSA-N	-1	0	307.258	0.417	20	30		DCEDRM
COC(=O)c1cc(Cn2cncc(C#N)c2=O)cc(C(=O)[O-])c1	ZINC001610200840	1171195826	/nfs/dbraw/zinc/19/58/26/1171195826.db2.gz	ZOIIIVWODLXPAN-UHFFFAOYSA-N	-1	0	313.269	0.648	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H](C)C#N)c1	ZINC001610208990	1171196781	/nfs/dbraw/zinc/19/67/81/1171196781.db2.gz	OEUAFDAKEXFADV-ZETCQYMHSA-N	-1	0	312.303	0.362	20	30		DCEDRM
CSC[C@](C)(C#N)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001610380918	1171228713	/nfs/dbraw/zinc/22/87/13/1171228713.db2.gz	BIKMLKDYCMVDEI-VIFPVBQESA-N	-1	0	321.405	0.765	20	30		DCEDRM
Cc1cc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)nn1CCC#N	ZINC001610472852	1171241207	/nfs/dbraw/zinc/24/12/07/1171241207.db2.gz	SYSSDKWYINKQSL-GHMZBOCLSA-N	-1	0	321.337	0.405	20	30		DCEDRM
Cc1nsc(N2CCN(C[C@@](C)(O)C(=O)[O-])CC2)c1C#N	ZINC001610577859	1171259243	/nfs/dbraw/zinc/25/92/43/1171259243.db2.gz	YYEHMMCSJDLMFY-CYBMUJFWSA-N	-1	0	310.379	0.281	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1	ZINC001610619822	1171270475	/nfs/dbraw/zinc/27/04/75/1171270475.db2.gz	RWGLHKKMLGKJHU-CQSZACIVSA-N	-1	0	305.265	0.787	20	30		DCEDRM
N#CC1CCN(CC(=O)Nc2nc(CC(=O)[O-])cs2)CC1	ZINC001610620882	1171271839	/nfs/dbraw/zinc/27/18/39/1171271839.db2.gz	WYWICKIDWPWMAF-UHFFFAOYSA-N	-1	0	308.363	0.944	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1	ZINC001610627582	1171272633	/nfs/dbraw/zinc/27/26/33/1171272633.db2.gz	CBFJLJDCEUZOBQ-CQSZACIVSA-N	-1	0	317.345	0.925	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NCCN1CCCS1(=O)=O	ZINC001610634341	1171273971	/nfs/dbraw/zinc/27/39/71/1171273971.db2.gz	XNUMOVRYEQZVPQ-UHFFFAOYSA-N	-1	0	310.335	0.099	20	30		DCEDRM
CCCCCN(CCO)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001623284668	1171436961	/nfs/dbraw/zinc/43/69/61/1171436961.db2.gz	SXKWEQCYHZGZCV-UHFFFAOYSA-N	-1	0	322.365	0.222	20	30		DCEDRM
COC[C@@H](NC(=O)C=CC(=O)c1ccc(C)cc1)c1nnn[n-]1	ZINC001638139544	1171787041	/nfs/dbraw/zinc/78/70/41/1171787041.db2.gz	GWZTVNGZICCFOF-QDZRJHCZSA-N	-1	0	315.333	0.751	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC001639799471	1171852096	/nfs/dbraw/zinc/85/20/96/1171852096.db2.gz	RJEUQUXQLJKTMF-UHFFFAOYSA-N	-1	0	313.317	0.541	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O	ZINC001640825421	1171894959	/nfs/dbraw/zinc/89/49/59/1171894959.db2.gz	SZICCCYANGWGBU-PSASIEDQSA-N	-1	0	320.392	0.010	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCn2cnc3ccccc32)c(C#N)c1=O	ZINC001641990932	1171934808	/nfs/dbraw/zinc/93/48/08/1171934808.db2.gz	ZIMLFTULOLLYIF-UHFFFAOYSA-N	-1	0	324.344	0.797	20	30		DCEDRM
Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccccc2C#N)cn1	ZINC001645540080	1172048838	/nfs/dbraw/zinc/04/88/38/1172048838.db2.gz	FSXLXWOAAPCCIA-UHFFFAOYSA-N	-1	0	304.331	0.339	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)c2ncn(C)n2)n1	ZINC001645792462	1172144127	/nfs/dbraw/zinc/14/41/27/1172144127.db2.gz	ZZPUJUCRWGVCSR-QMMMGPOBSA-N	-1	0	305.319	0.613	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cc3ccccc3[nH]2)c(=O)[n-]c1=O	ZINC001646148525	1172272891	/nfs/dbraw/zinc/27/28/91/1172272891.db2.gz	URIFVFCBTGCFNM-UHFFFAOYSA-N	-1	0	323.312	0.732	20	30		DCEDRM
Cn1cc(CCC(=O)[N-]S(=O)(=O)c2ccccc2C#N)cn1	ZINC001647072950	1172658029	/nfs/dbraw/zinc/65/80/29/1172658029.db2.gz	ZJNWRSNIWHKYLL-UHFFFAOYSA-N	-1	0	318.358	0.729	20	30		DCEDRM
C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)C2(C#N)CCCC2)CC1	ZINC001647422252	1172878849	/nfs/dbraw/zinc/87/88/49/1172878849.db2.gz	OYGIJOMXLRITGS-OAQYLSRUSA-N	-1	0	312.391	0.895	20	30		DCEDRM
N#Cc1cnn(C(=O)c2nc[n-]c2C(=O)c2ccccc2)c1N	ZINC001647920900	1173062199	/nfs/dbraw/zinc/06/21/99/1173062199.db2.gz	QVWLOHCFJPMHFI-UHFFFAOYSA-N	-1	0	306.285	0.980	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001649763874	1173208346	/nfs/dbraw/zinc/20/83/46/1173208346.db2.gz	SAXAVQBDDFCFAH-UHFFFAOYSA-N	-1	0	312.322	0.936	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC001654263611	1173802186	/nfs/dbraw/zinc/80/21/86/1173802186.db2.gz	CSWPXIDPWMFHCT-YUMQZZPRSA-N	-1	0	300.340	0.128	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCOc2ccc(Cl)cn2)c(C#N)c1=O	ZINC001655266871	1173818094	/nfs/dbraw/zinc/81/80/94/1173818094.db2.gz	LDDFOIPASSQUPU-UHFFFAOYSA-N	-1	0	321.724	0.485	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC1CN(CC#N)C1	ZINC001665362940	1174510378	/nfs/dbraw/zinc/51/03/78/1174510378.db2.gz	PPCCKWQNLJKEMK-UHFFFAOYSA-N	-1	0	306.288	0.015	20	30		DCEDRM
C#CCCCCCC(=O)N(C)C[C@@H](C)NC(=O)c1cn[nH]n1	ZINC001701643632	1179100009	/nfs/dbraw/zinc/10/00/09/1179100009.db2.gz	MFYQRPASPVKBIX-GFCCVEGCSA-N	-1	0	305.382	0.965	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCCNC(=O)C#CC(C)C)c1[O-]	ZINC001703577114	1179602659	/nfs/dbraw/zinc/60/26/59/1179602659.db2.gz	SIKZVUDKEAPWRV-UHFFFAOYSA-N	-1	0	306.366	0.661	20	30		DCEDRM
C#CCCCCCC(=O)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC001703940410	1179725268	/nfs/dbraw/zinc/72/52/68/1179725268.db2.gz	RIAFVETYSGCSRJ-TXEJJXNPSA-N	-1	0	303.366	0.765	20	30		DCEDRM
C=CCCC(=O)NC[C@H](C)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001704013602	1179839875	/nfs/dbraw/zinc/83/98/75/1179839875.db2.gz	XTRLSDIDUMWKLM-JTQLQIEISA-N	-1	0	317.349	0.223	20	30		DCEDRM
C#CCCCC(=O)N(C)CCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001704881635	1180159102	/nfs/dbraw/zinc/15/91/02/1180159102.db2.gz	KPTMJRCYKHZGLC-UHFFFAOYSA-N	-1	0	306.366	0.758	20	30		DCEDRM
C=CCCC(=O)N[C@@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001713092394	1180680211	/nfs/dbraw/zinc/68/02/11/1180680211.db2.gz	XQMRORXPIYLQAC-LLVKDONJSA-N	-1	0	305.382	0.947	20	30		DCEDRM
N#CCSCC(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001714096270	1181242221	/nfs/dbraw/zinc/24/22/21/1181242221.db2.gz	CMLQTPYZGJALJG-SNVBAGLBSA-N	-1	0	324.410	0.238	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1	ZINC001717489729	1182858617	/nfs/dbraw/zinc/85/86/17/1182858617.db2.gz	YLDJWLQOKKMRAS-AXFHLTTASA-N	-1	0	309.370	0.038	20	30		DCEDRM
C#CCCCC(=O)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001717628418	1182930664	/nfs/dbraw/zinc/93/06/64/1182930664.db2.gz	VCEQTMZWNLZKQY-UHFFFAOYSA-N	-1	0	317.393	0.738	20	30		DCEDRM
C=CCOCC(=O)NC[C@@H](C)N(CC)C(=O)c1n[nH]c(C)c1[O-]	ZINC001718947159	1183399287	/nfs/dbraw/zinc/39/92/87/1183399287.db2.gz	MCCMZJIAPMLMOC-SNVBAGLBSA-N	-1	0	324.381	0.593	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001720926742	1183770805	/nfs/dbraw/zinc/77/08/05/1183770805.db2.gz	OOIVGEZSOHAWPQ-RTHLEPHNSA-N	-1	0	323.353	0.120	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@](C)(NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001722197851	1184203240	/nfs/dbraw/zinc/20/32/40/1184203240.db2.gz	ATILIUSBAWQTSF-INIZCTEOSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001734758353	1186737882	/nfs/dbraw/zinc/73/78/82/1186737882.db2.gz	YNRPKXSCBHOSST-SNVBAGLBSA-N	-1	0	306.366	0.804	20	30		DCEDRM
C#Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cn1	ZINC001755322577	1189080508	/nfs/dbraw/zinc/08/05/08/1189080508.db2.gz	LCIOCCLLBDHMJG-JTQLQIEISA-N	-1	0	314.349	0.137	20	30		DCEDRM
C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1CN(CC#N)C1	ZINC001755392074	1189100660	/nfs/dbraw/zinc/10/06/60/1189100660.db2.gz	PUJRDLFXWJUBCC-MRVPVSSYSA-N	-1	0	320.315	0.404	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCC[C@@H](C)NC(=O)[C@H](C)C#N)c1[O-]	ZINC001756928776	1189478323	/nfs/dbraw/zinc/47/83/23/1189478323.db2.gz	ODJHAPJLCHRDSC-NXEZZACHSA-N	-1	0	321.381	0.988	20	30		DCEDRM
C=CCCCC(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001758001633	1189671384	/nfs/dbraw/zinc/67/13/84/1189671384.db2.gz	NOUIIAYOKPIMFG-UHFFFAOYSA-N	-1	0	317.349	0.225	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)C#CC(C)(C)C)c1[O-]	ZINC001759827106	1190309152	/nfs/dbraw/zinc/30/91/52/1190309152.db2.gz	KAFZGMCXMVPNIP-NSHDSACASA-N	-1	0	318.377	0.804	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCc3n[nH]nc3C2)cc1C#N	ZINC001771614141	1190451295	/nfs/dbraw/zinc/45/12/95/1190451295.db2.gz	CELZDUYDODVQGR-UHFFFAOYSA-N	-1	0	316.346	0.697	20	30		DCEDRM
CN(c1[n-]c(=O)n(C)c(=O)c1C#N)[C@H]1CCc2ccccc2C1	ZINC001772114986	1190610921	/nfs/dbraw/zinc/61/09/21/1190610921.db2.gz	ULLMDXPRSREVIW-ZDUSSCGKSA-N	-1	0	310.357	0.939	20	30		DCEDRM
CC(C)[C@H]1C[C@@H](CNc2[n-]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001772116865	1190611230	/nfs/dbraw/zinc/61/12/30/1190611230.db2.gz	HHNGZRXPJVUPAI-CMPLNLGQSA-N	-1	0	306.366	0.808	20	30		DCEDRM
C[C@H]1CO[C@@H](C(F)(F)F)CN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001772117951	1190611363	/nfs/dbraw/zinc/61/13/63/1190611363.db2.gz	UEAUKYDKCUKJRL-POYBYMJQSA-N	-1	0	318.255	0.101	20	30		DCEDRM
CC1(C)CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)N(CC#N)C1	ZINC001089665747	751512516	/nfs/dbraw/zinc/51/25/16/751512516.db2.gz	DIHPSACTPBMXDW-SECBINFHSA-N	-1	0	320.353	0.027	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCNCc2cc(F)ccc2C#N)c1[O-]	ZINC001125728233	747541557	/nfs/dbraw/zinc/54/15/57/747541557.db2.gz	DGDTXDSKGQLRFW-UHFFFAOYSA-N	-1	0	317.324	0.954	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)C1	ZINC001088844465	749468048	/nfs/dbraw/zinc/46/80/48/749468048.db2.gz	SAMUQBLURRYCOY-MNOVXSKESA-N	-1	0	305.382	0.946	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(C#N)nn2)c1[O-]	ZINC001112990688	762074097	/nfs/dbraw/zinc/07/40/97/762074097.db2.gz	JQAIAQZMRDMNKO-HTQZYQBOSA-N	-1	0	315.337	0.704	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C)c1[O-]	ZINC001072035836	762312131	/nfs/dbraw/zinc/31/21/31/762312131.db2.gz	QLZBGKRVLWLREI-JQWIXIFHSA-N	-1	0	318.377	0.660	20	30		DCEDRM
C=CCOCC(=O)NCC1(NC(=O)c2[nH]nc(C)c2[O-])CCC1	ZINC001062702544	754896000	/nfs/dbraw/zinc/89/60/00/754896000.db2.gz	VBOPQTDTSRYBHP-UHFFFAOYSA-N	-1	0	322.365	0.395	20	30		DCEDRM
C=C1CC(C)(C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)C1	ZINC001049046292	755089889	/nfs/dbraw/zinc/08/98/89/755089889.db2.gz	OAFVVLKCJGSMFM-TXEJJXNPSA-N	-1	0	317.393	0.757	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)N(C)c2cnc(C#N)cn2)c1[O-]	ZINC001113551864	762381498	/nfs/dbraw/zinc/38/14/98/762381498.db2.gz	POCZJKDGJPONDG-QMMMGPOBSA-N	-1	0	315.337	0.340	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)c1[O-]	ZINC001055775345	756913095	/nfs/dbraw/zinc/91/30/95/756913095.db2.gz	CHPXYLCBWKLFAN-UHFFFAOYSA-N	-1	0	313.321	0.048	20	30		DCEDRM
Cc1nc2cc(NC(=O)Cn3cc(C#N)c(=O)[n-]c3=O)ccc2[nH]1	ZINC001137393230	759569544	/nfs/dbraw/zinc/56/95/44/759569544.db2.gz	WLDLJBJPMXTPTH-UHFFFAOYSA-N	-1	0	324.300	0.644	20	30		DCEDRM
COC(=O)c1cc(C)nc([N-]c2c(C#N)cnn2C(=O)OC)n1	ZINC001169961855	760941176	/nfs/dbraw/zinc/94/11/76/760941176.db2.gz	DBGBIWFPNGJFMN-UHFFFAOYSA-N	-1	0	316.277	0.998	20	30		DCEDRM
CC(C)c1nnc(CCC(=O)[N-]S(=O)(=O)CCCC#N)o1	ZINC001116476256	765874744	/nfs/dbraw/zinc/87/47/44/765874744.db2.gz	MIBGSSAUWBUCRM-UHFFFAOYSA-N	-1	0	314.367	0.875	20	30		DCEDRM
C=CCNC(=O)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001116497837	765876590	/nfs/dbraw/zinc/87/65/90/765876590.db2.gz	LTIXZRPMHAWCEH-UHFFFAOYSA-N	-1	0	306.347	0.413	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCOc2ccccc2)c(C#N)c1=O	ZINC001120797382	767215639	/nfs/dbraw/zinc/21/56/39/767215639.db2.gz	IDGPDRSXBZWHKX-UHFFFAOYSA-N	-1	0	300.318	0.826	20	30		DCEDRM
Cc1cn(CC(=O)Nc2cc(C#N)c(F)cc2[O-])c(=O)[nH]c1=O	ZINC001142317746	768636706	/nfs/dbraw/zinc/63/67/06/768636706.db2.gz	AJBJNYOSEZNLFO-UHFFFAOYSA-N	-1	0	318.264	0.612	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001231094226	769169796	/nfs/dbraw/zinc/16/97/96/769169796.db2.gz	FQBSVGHCNVTZIE-NWDGAFQWSA-N	-1	0	323.397	0.524	20	30		DCEDRM
CC(C)NC(=O)CN1CCN(Cc2cc(C#N)ccc2[O-])CC1	ZINC001232679220	769333081	/nfs/dbraw/zinc/33/30/81/769333081.db2.gz	HDRYEFCXNSBKTE-UHFFFAOYSA-N	-1	0	316.405	0.906	20	30		DCEDRM
Nc1nonc1C(=Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)NO	ZINC001176673587	770149360	/nfs/dbraw/zinc/14/93/60/770149360.db2.gz	WOYRYHUWTZJSIC-UHFFFAOYSA-N	-1	0	308.210	0.315	20	30		DCEDRM
C=CCC1(O)CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1	ZINC001154865784	770321505	/nfs/dbraw/zinc/32/15/05/770321505.db2.gz	GHBGDBDNKQTQPQ-UHFFFAOYSA-N	-1	0	316.317	0.029	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)CSc1n[n-]c(=S)s1	ZINC001177346095	770415783	/nfs/dbraw/zinc/41/57/83/770415783.db2.gz	OZXVHZMHEOUOGG-RXMQYKEDSA-N	-1	0	318.405	0.490	20	30		DCEDRM
C[C@H]1[C@H](Nc2ncc(C#N)cc2Cl)C(=O)N1S(=O)(=O)[O-]	ZINC001157067836	771526334	/nfs/dbraw/zinc/52/63/34/771526334.db2.gz	VCVROEPEODUDRX-XNCJUZBTSA-N	-1	0	316.726	0.421	20	30		DCEDRM
[NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)CC(F)F	ZINC001182969069	771582982	/nfs/dbraw/zinc/58/29/82/771582982.db2.gz	PXYNRWNMVYJCAU-MRVPVSSYSA-N	-1	0	322.270	0.184	20	30		DCEDRM
N#Cc1cn(CC(=O)N(O)Cc2ccc(F)cc2)c(=O)[n-]c1=O	ZINC001184349122	771779409	/nfs/dbraw/zinc/77/94/09/771779409.db2.gz	WBIVEDOQIKVPKJ-UHFFFAOYSA-N	-1	0	318.264	0.378	20	30		DCEDRM
COC(=O)CCS(=O)(=O)[N-]c1c(C#N)cnn1C(C)(C)C	ZINC001188349878	772297714	/nfs/dbraw/zinc/29/77/14/772297714.db2.gz	HGMXWNDFJMENJQ-UHFFFAOYSA-N	-1	0	314.367	0.815	20	30		DCEDRM
Nc1ccc(N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])nc1	ZINC001163066486	772452679	/nfs/dbraw/zinc/45/26/79/772452679.db2.gz	SWPGLKWYNWUOHJ-SNVBAGLBSA-N	-1	0	322.327	0.184	20	30		DCEDRM
C=CCn1c(Sc2c(C)[n-][nH]c2=O)nnc1-c1cnccn1	ZINC001165788677	772762861	/nfs/dbraw/zinc/76/28/61/772762861.db2.gz	DAWBHBJYNVUZOD-SNVBAGLBSA-N	-1	0	315.362	0.888	20	30		DCEDRM
COC(=O)c1ccc([O-])c(C(=O)n2nc(N)c(C#N)c2N)c1	ZINC001192378396	772911952	/nfs/dbraw/zinc/91/19/52/772911952.db2.gz	XEEHZCRBKYSOEP-UHFFFAOYSA-N	-1	0	301.262	0.100	20	30		DCEDRM
COC(=O)c1ccc([O-])c(C(=O)N[C@@H](CS)C(=O)OC)c1	ZINC001192395444	772917675	/nfs/dbraw/zinc/91/76/75/772917675.db2.gz	GWXNLDXGVRHAQY-VIFPVBQESA-N	-1	0	313.331	0.380	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1ccc(Br)cc1C(N)=O	ZINC001192972359	772989730	/nfs/dbraw/zinc/98/97/30/772989730.db2.gz	UJPNCDGPOFQBPP-UHFFFAOYSA-N	-1	0	318.152	0.813	20	30		DCEDRM
COC(=O)[C@@H]([N-]S(=O)(=O)[C@@H](C)C#N)c1ccccc1OC	ZINC001193193839	773021882	/nfs/dbraw/zinc/02/18/82/773021882.db2.gz	OUOLQPXGBWSAMT-CABZTGNLSA-N	-1	0	312.347	0.741	20	30		DCEDRM
COc1ccc(C#N)c(S(=O)(=O)[N-]c2cnn(C)c2C#N)c1	ZINC001193653494	773098229	/nfs/dbraw/zinc/09/82/29/773098229.db2.gz	GRSOTJQWKFLSMP-UHFFFAOYSA-N	-1	0	317.330	0.973	20	30		DCEDRM
CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)c1cccc(C#N)c1[O-]	ZINC001193659484	773099246	/nfs/dbraw/zinc/09/92/46/773099246.db2.gz	NBQDUAFDPRYPQM-YPMHNXCESA-N	-1	0	318.329	0.962	20	30		DCEDRM
C=C[C@@H]1C[C@]1(NC(=O)OCCC)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001194142518	773161111	/nfs/dbraw/zinc/16/11/11/773161111.db2.gz	ZWQJYOMYBGLUAS-NOZJJQNGSA-N	-1	0	316.379	0.676	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2cncc(S(N)(=O)=O)c2)c([O-])c1	ZINC001195740301	773473991	/nfs/dbraw/zinc/47/39/91/773473991.db2.gz	CHGNFCGTEDLMSK-UHFFFAOYSA-N	-1	0	318.314	0.559	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC3(CC2)COCC(=O)N3)c([O-])c1	ZINC001195741222	773474048	/nfs/dbraw/zinc/47/40/48/773474048.db2.gz	QXEGZTKRSAMNEG-UHFFFAOYSA-N	-1	0	315.329	0.385	20	30		DCEDRM
CC#CCCCC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001196847284	773655103	/nfs/dbraw/zinc/65/51/03/773655103.db2.gz	ZYQCKRJEZPGWNU-UHFFFAOYSA-N	-1	0	305.382	0.738	20	30		DCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)Cc1ccccn1	ZINC001197783934	773800340	/nfs/dbraw/zinc/80/03/40/773800340.db2.gz	ZSITVUFTCRIXQR-UHFFFAOYSA-N	-1	0	314.330	0.938	20	30		DCEDRM
CN(CC#N)C(=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl	ZINC001197989114	773838297	/nfs/dbraw/zinc/83/82/97/773838297.db2.gz	VRBCFPXDZLSTMC-UHFFFAOYSA-N	-1	0	319.708	0.582	20	30		DCEDRM
C=CCNC(=S)N1CCN(CCCCS(=O)(=O)[O-])CC1	ZINC001200292197	774318453	/nfs/dbraw/zinc/31/84/53/774318453.db2.gz	CYIYDFJOYSXVOI-UHFFFAOYSA-N	-1	0	321.468	0.333	20	30		DCEDRM
C=C[C@@H]1C[C@]1(NC(=O)NCCC)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001202601281	774968076	/nfs/dbraw/zinc/96/80/76/774968076.db2.gz	CNYPIBQMVXRFJW-NOZJJQNGSA-N	-1	0	315.395	0.249	20	30		DCEDRM
COC(=O)c1ccc(C#N)cc1COC(=O)[C@H](O)CC(=O)[O-]	ZINC001223766493	775515289	/nfs/dbraw/zinc/51/52/89/775515289.db2.gz	GARUMVBYCHLJGK-LLVKDONJSA-N	-1	0	307.258	0.224	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@H](C)COC(C)=O	ZINC001224793618	775606912	/nfs/dbraw/zinc/60/69/12/775606912.db2.gz	YZPVRDVFQGQUQW-ZYHUDNBSSA-N	-1	0	310.368	0.661	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cnc(Cl)nc1	ZINC001225375794	775672222	/nfs/dbraw/zinc/67/22/22/775672222.db2.gz	QKUGKPOIHQCPPP-VIFPVBQESA-N	-1	0	308.743	0.968	20	30		DCEDRM
CC#CCCCC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001228770540	776123180	/nfs/dbraw/zinc/12/31/80/776123180.db2.gz	OBAJZRJZGGXSNX-UHFFFAOYSA-N	-1	0	305.382	0.785	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cnncc1Cl	ZINC001228940342	776140166	/nfs/dbraw/zinc/14/01/66/776140166.db2.gz	GKJRPVBTWDOKQU-QMMMGPOBSA-N	-1	0	308.743	0.968	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(C(=O)OCC)c(C)n1)C(=O)[O-]	ZINC001588414886	1166550604	/nfs/dbraw/zinc/55/06/04/1166550604.db2.gz	VJAUEJUTYJIMIG-LBPRGKRZSA-N	-1	0	304.302	0.773	20	30		DCEDRM
N#CC[C@@H]1CC[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])C1	ZINC001601075835	1168582640	/nfs/dbraw/zinc/58/26/40/1168582640.db2.gz	REFKNCLEXSJGDS-QWRGUYRKSA-N	-1	0	310.354	0.349	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CC(=O)N(CCOC)C1)C(=O)[O-]	ZINC001602862623	1169193937	/nfs/dbraw/zinc/19/39/37/1169193937.db2.gz	GVLOWKFYNAVXQX-NWDGAFQWSA-N	-1	0	312.366	0.407	20	30		DCEDRM
CC#CCN1CC(CNC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC001267688712	939626010	/nfs/dbraw/zinc/62/60/10/939626010.db2.gz	SWPMDHRHMYHAFO-UHFFFAOYSA-N	-1	0	318.421	0.446	20	30		DCEDRM
C#CCCN1CC(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	ZINC001481602903	939966964	/nfs/dbraw/zinc/96/69/64/939966964.db2.gz	LMVHADNRSFJFIM-UHFFFAOYSA-N	-1	0	305.300	0.267	20	30		DCEDRM
C#CCNC(=O)[C@@H]1CC12CCN(C(=O)c1cnc[nH]c1=O)CC2	ZINC001271630424	941413526	/nfs/dbraw/zinc/41/35/26/941413526.db2.gz	NQHUIUWSENUPOE-LBPRGKRZSA-N	-1	0	314.345	0.174	20	30		DCEDRM
C#CCN1CC[C@@]2(CCN(C(=O)c3ccc(C#N)cc3[O-])C2)C1=O	ZINC001271837168	941462640	/nfs/dbraw/zinc/46/26/40/941462640.db2.gz	CAMPAOOHJQTFFZ-SFHVURJKSA-N	-1	0	323.352	0.962	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H](OCCO)C1	ZINC001412841649	942091198	/nfs/dbraw/zinc/09/11/98/942091198.db2.gz	RXUANMDVONFSCH-GFCCVEGCSA-N	-1	0	305.334	0.581	20	30		DCEDRM
CN(Cc1cccs1)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001412919222	942138592	/nfs/dbraw/zinc/13/85/92/942138592.db2.gz	BHVMCTAVDPYFNM-UHFFFAOYSA-N	-1	0	304.331	0.128	20	30		DCEDRM
Cn1cc(C#N)cc1-c1nnc(N2CC[C@@](C)(C(=O)[O-])C2)n1C	ZINC001600927477	970883425	/nfs/dbraw/zinc/88/34/25/970883425.db2.gz	MIGFQSNDNUDQLA-OAHLLOKOSA-N	-1	0	314.349	0.993	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1	ZINC001413046996	942240187	/nfs/dbraw/zinc/24/01/87/942240187.db2.gz	FSAPZDBMPVQZMG-AOOOYVTPSA-N	-1	0	323.374	0.615	20	30		DCEDRM
C=CCN1CC2(CN(C(=O)c3ccc(F)cc3[O-])C2)OCC1=O	ZINC001272268561	942433997	/nfs/dbraw/zinc/43/39/97/942433997.db2.gz	KTKDTNBGCCRCBW-UHFFFAOYSA-N	-1	0	320.320	0.771	20	30		DCEDRM
CSCC[C@H](NC(=O)c1ccc(C#N)nc1)c1nnn[n-]1	ZINC001413295842	942611475	/nfs/dbraw/zinc/61/14/75/942611475.db2.gz	DNMFXLJARYYVHS-JTQLQIEISA-N	-1	0	303.351	0.691	20	30		DCEDRM
CCC[C@@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)OCC	ZINC001413320741	942888053	/nfs/dbraw/zinc/88/80/53/942888053.db2.gz	XVWIKFTYQTYBRL-LBPRGKRZSA-N	-1	0	322.365	0.532	20	30		DCEDRM
C=CCCCN1CC(O)(CNC(=O)c2c(C)nc[nH]c2=O)C1	ZINC001484290258	943296995	/nfs/dbraw/zinc/29/69/95/943296995.db2.gz	FDEUFFGTVMLVJF-UHFFFAOYSA-N	-1	0	306.366	0.233	20	30		DCEDRM
N#Cc1cc(F)ccc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001611295789	970980057	/nfs/dbraw/zinc/98/00/57/970980057.db2.gz	GFJXTTRGBMTGFQ-LBPRGKRZSA-N	-1	0	312.322	0.381	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC3(C2)CC[C@H](C(N)=O)O3)c([O-])c1	ZINC001276864608	944334536	/nfs/dbraw/zinc/33/45/36/944334536.db2.gz	CIHFDSDLWRSQNG-GFCCVEGCSA-N	-1	0	301.302	0.123	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)CC(F)(F)F	ZINC001253228763	946099423	/nfs/dbraw/zinc/09/94/23/946099423.db2.gz	KQPFAZSYFJXNCQ-UHFFFAOYSA-N	-1	0	312.229	0.673	20	30		DCEDRM
C#CC[S@](=O)Cc1cn(-c2ccc(C(=O)[O-])c(O)c2)nn1	ZINC001254096695	946313023	/nfs/dbraw/zinc/31/30/23/946313023.db2.gz	RPFFIYPXOOSDBX-NRFANRHFSA-N	-1	0	305.315	0.553	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1	ZINC001602683803	971275073	/nfs/dbraw/zinc/27/50/73/971275073.db2.gz	KDZXBVZBXSBLDQ-KBPBESRZSA-N	-1	0	323.393	0.359	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)cc1	ZINC001258143367	946804392	/nfs/dbraw/zinc/80/43/92/946804392.db2.gz	OVIWXANFMWFYCY-UHFFFAOYSA-N	-1	0	321.280	0.515	20	30		DCEDRM
Cc1nn(C)c([N-]S(=O)(=O)c2ccccc2C#N)c1C(N)=O	ZINC001258196613	946808639	/nfs/dbraw/zinc/80/86/39/946808639.db2.gz	YFCXJXHYNIZPQA-UHFFFAOYSA-N	-1	0	319.346	0.500	20	30		DCEDRM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cnc(C#N)cn1	ZINC001258335237	946825037	/nfs/dbraw/zinc/82/50/37/946825037.db2.gz	VJNRWSNUWRWPJS-UHFFFAOYSA-N	-1	0	312.742	0.844	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1ccccc1[N+](=O)[O-]	ZINC001602686183	971286225	/nfs/dbraw/zinc/28/62/25/971286225.db2.gz	TYESRNDPYTVGHB-UHFFFAOYSA-N	-1	0	305.290	0.867	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c[nH]c2cc(OC)ccc2c1=O	ZINC001602692282	971301911	/nfs/dbraw/zinc/30/19/11/971301911.db2.gz	JPFACFZNCKTJMN-UHFFFAOYSA-N	-1	0	314.297	0.697	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1	ZINC001602691706	971297549	/nfs/dbraw/zinc/29/75/49/971297549.db2.gz	UQBFNVSUQWYDQW-UHFFFAOYSA-N	-1	0	307.306	0.525	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(NS(C)(=O)=O)c1	ZINC001602692381	971302136	/nfs/dbraw/zinc/30/21/36/971302136.db2.gz	MWGIBLJUWVSWOW-UHFFFAOYSA-N	-1	0	310.331	0.218	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCc1ccc(COC)cc1	ZINC001602695971	971313696	/nfs/dbraw/zinc/31/36/96/971313696.db2.gz	ZNOVRUHVYYHYMD-UHFFFAOYSA-N	-1	0	304.346	0.469	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnns2)n1CC=C	ZINC001602699011	971314979	/nfs/dbraw/zinc/31/49/79/971314979.db2.gz	BGZOOELPYDVDGD-UHFFFAOYSA-N	-1	0	304.335	0.507	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cncc(OC(C)C)c1	ZINC001602699459	971317699	/nfs/dbraw/zinc/31/76/99/971317699.db2.gz	VMASUXVDEQUBPY-UHFFFAOYSA-N	-1	0	312.347	0.577	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc2ccncc21	ZINC001602699471	971318088	/nfs/dbraw/zinc/31/80/88/971318088.db2.gz	VUHPXXWNJXRFAU-UHFFFAOYSA-N	-1	0	304.327	0.943	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)C(=O)[O-]	ZINC001332171515	947071744	/nfs/dbraw/zinc/07/17/44/947071744.db2.gz	CWCOGUPXSSZTTA-DTWKUNHWSA-N	-1	0	312.288	0.641	20	30		DCEDRM
CC[C@@](C)(C#N)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260179670	947079743	/nfs/dbraw/zinc/07/97/43/947079743.db2.gz	SLKJWXPSPVTEJF-JTQLQIEISA-N	-1	0	314.758	0.748	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCO[C@@H]2C)n1CCOC	ZINC001602701135	971326126	/nfs/dbraw/zinc/32/61/26/971326126.db2.gz	XXQYDWMKSYOIMQ-VXGBXAGGSA-N	-1	0	322.365	0.341	20	30		DCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1c(C#N)cnc2ccnn21	ZINC001261023412	947166261	/nfs/dbraw/zinc/16/62/61/947166261.db2.gz	HUKGSQVENMTGKQ-UHFFFAOYSA-N	-1	0	317.334	0.742	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2cnn(CC(F)F)c2)c1=O	ZINC001324217717	947355612	/nfs/dbraw/zinc/35/56/12/947355612.db2.gz	SMLPZFZFQNPOMM-UHFFFAOYSA-N	-1	0	300.294	0.579	20	30		DCEDRM
C#CC[C@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)c1ccccc1	ZINC001324534230	947450872	/nfs/dbraw/zinc/45/08/72/947450872.db2.gz	XRVQNMWCBVVXDE-ZFWWWQNUSA-N	-1	0	316.357	0.952	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)[N-]OC2CCOCC2)cc1F	ZINC001324599144	947473193	/nfs/dbraw/zinc/47/31/93/947473193.db2.gz	PUDJWMAIYLMVMN-UHFFFAOYSA-N	-1	0	307.281	0.863	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001602723162	971394687	/nfs/dbraw/zinc/39/46/87/971394687.db2.gz	QBZGJMDBWWZHGL-LBPRGKRZSA-N	-1	0	319.317	0.522	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)CC(=O)[O-]	ZINC001325741477	947907127	/nfs/dbraw/zinc/90/71/27/947907127.db2.gz	DRRJAVPRNCNKJE-VIFPVBQESA-N	-1	0	322.292	0.756	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)[O-]	ZINC001327012414	948363633	/nfs/dbraw/zinc/36/36/33/948363633.db2.gz	BYYZHMSVYPQQAR-SSDOTTSWSA-N	-1	0	304.349	0.155	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N1CCc2ccc(C(=O)[O-])nc2C1	ZINC001263632765	948731818	/nfs/dbraw/zinc/73/18/18/948731818.db2.gz	WHQHKGMEQQIXTQ-HNNXBMFYSA-N	-1	0	313.357	0.762	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](c2nnc(N)o2)C1	ZINC001602778664	971512574	/nfs/dbraw/zinc/51/25/74/971512574.db2.gz	JRSJWRGCPGTLTH-AMIZOPFISA-N	-1	0	307.310	0.362	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCCCS(C)(=O)=O	ZINC001602781226	971522662	/nfs/dbraw/zinc/52/26/62/971522662.db2.gz	TZHCFSIFNJMLDJ-GFCCVEGCSA-N	-1	0	304.368	0.322	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CCC(F)(F)F)n1	ZINC001264580405	949004427	/nfs/dbraw/zinc/00/44/27/949004427.db2.gz	WGJJJMRKAJDEPH-UHFFFAOYSA-N	-1	0	316.283	0.864	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC001602786307	971533360	/nfs/dbraw/zinc/53/33/60/971533360.db2.gz	KHKUSMMTIGXUDV-QWRGUYRKSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C[N@H+](Cc1cc(=O)n2[n-]cc(C#N)c2n1)[C@H]1C[C@@H](C(N)=O)C1	ZINC001364482991	949398360	/nfs/dbraw/zinc/39/83/60/949398360.db2.gz	QSRYCMBLYCUSTN-DKTWLAJQSA-N	-1	0	300.322	0.002	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H]2CC(=O)N(C(C)(C)C)C2)c(C#N)c1=O	ZINC001364584800	949593270	/nfs/dbraw/zinc/59/32/70/949593270.db2.gz	SGODAWSHOTXCIL-SECBINFHSA-N	-1	0	319.365	0.004	20	30		DCEDRM
COCC[C@@H]1COCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364712709	949796006	/nfs/dbraw/zinc/79/60/06/949796006.db2.gz	GPMSJXLHFZAHMQ-CYBMUJFWSA-N	-1	0	317.349	0.544	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(=O)NCC(=O)[N-]OCC)c1ccccc1	ZINC001329811868	949889036	/nfs/dbraw/zinc/88/90/36/949889036.db2.gz	UFCKWIQZAYRLSD-CYBMUJFWSA-N	-1	0	317.345	0.051	20	30		DCEDRM
CC[C@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC(C)(C)C	ZINC001413910231	950126789	/nfs/dbraw/zinc/12/67/89/950126789.db2.gz	RGJCTWTUUTWXRS-SECBINFHSA-N	-1	0	322.365	0.725	20	30		DCEDRM
C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)c1nnnn1C	ZINC001364972790	950279167	/nfs/dbraw/zinc/27/91/67/950279167.db2.gz	TXQOGXFBLNUIPW-SSDOTTSWSA-N	-1	0	310.314	0.260	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCCN(CC#N)C1	ZINC001490457966	950759207	/nfs/dbraw/zinc/75/92/07/950759207.db2.gz	CNOPLMJPQYOJRR-VIFPVBQESA-N	-1	0	320.315	0.548	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c(C#N)c1=O	ZINC001365227047	950769700	/nfs/dbraw/zinc/76/97/00/950769700.db2.gz	ZWONLRLIBGVCQC-MNOVXSKESA-N	-1	0	306.366	0.179	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(C[NH2+]C1(CO)CCSCC1)cc2=O	ZINC001365309105	950934662	/nfs/dbraw/zinc/93/46/62/950934662.db2.gz	IDRYDNDZGBNOKZ-UHFFFAOYSA-N	-1	0	319.390	0.654	20	30		DCEDRM
CC(C)(F)CNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001365424115	951109366	/nfs/dbraw/zinc/10/93/66/951109366.db2.gz	YQKZWZCVHLDFME-UHFFFAOYSA-N	-1	0	309.301	0.135	20	30		DCEDRM
Cc1nc2c(c(=O)[nH]1)CN(S(=O)(=O)c1ccc(C#N)o1)C2	ZINC001365458882	951150736	/nfs/dbraw/zinc/15/07/36/951150736.db2.gz	ITRXSLNPNUVWIF-UHFFFAOYSA-N	-1	0	306.303	0.660	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-]	ZINC001331828830	951344930	/nfs/dbraw/zinc/34/49/30/951344930.db2.gz	ZTZRASQCSHOVSO-WDEREUQCSA-N	-1	0	315.391	0.737	20	30		DCEDRM
C#CCCCCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001332149522	951501797	/nfs/dbraw/zinc/50/17/97/951501797.db2.gz	SJIIGUNFBAYTBU-INIZCTEOSA-N	-1	0	308.378	0.568	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(=O)[O-]	ZINC001332613337	951722087	/nfs/dbraw/zinc/72/20/87/951722087.db2.gz	FNLRCHCUJZPLNJ-AGIUHOORSA-N	-1	0	312.366	0.012	20	30		DCEDRM
NC(=O)[C@H]1CCC2(CN(C(=O)CCC(=O)C3=CC=C[CH]3)C2)O1	ZINC001274660857	951773252	/nfs/dbraw/zinc/77/32/52/951773252.db2.gz	AJUJGQMWAJQTSF-CYBMUJFWSA-N	-1	0	303.338	0.281	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)C(=O)[O-]	ZINC001332946931	951860943	/nfs/dbraw/zinc/86/09/43/951860943.db2.gz	QSHWWLNBNGYJCM-SNVBAGLBSA-N	-1	0	321.337	0.208	20	30		DCEDRM
COC(=O)[C@@H]1CCN1C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001411561161	952271737	/nfs/dbraw/zinc/27/17/37/952271737.db2.gz	MRQHUMDEFTWQCG-VIFPVBQESA-N	-1	0	307.331	0.768	20	30		DCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1cccc(C#N)c1	ZINC001411692982	952389357	/nfs/dbraw/zinc/38/93/57/952389357.db2.gz	ZTBAEQTWNCRCMT-UHFFFAOYSA-N	-1	0	309.285	0.355	20	30		DCEDRM
N#C[C@H](CO)NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC001335284743	952511824	/nfs/dbraw/zinc/51/18/24/952511824.db2.gz	FWZMNGSFAGVLNU-ZCFIWIBFSA-N	-1	0	305.212	0.072	20	30		DCEDRM
C=CCCC(=O)N[C@@H](C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001335927901	952621845	/nfs/dbraw/zinc/62/18/45/952621845.db2.gz	NMDRXLZIABAQGR-VIFPVBQESA-N	-1	0	323.353	0.264	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C(=O)N(C)C)CC1	ZINC001412317228	952746132	/nfs/dbraw/zinc/74/61/32/952746132.db2.gz	PXPVPAFDQVACEZ-UHFFFAOYSA-N	-1	0	317.349	0.407	20	30		DCEDRM
CC(F)(F)CCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412372490	952765444	/nfs/dbraw/zinc/76/54/44/952765444.db2.gz	IUNCVXWUXYGQLU-UHFFFAOYSA-N	-1	0	300.265	0.372	20	30		DCEDRM
COc1cc(C=Nn2c(=O)c(C)n[n-]c2=S)cc(O)c1O	ZINC001337253424	952833987	/nfs/dbraw/zinc/83/39/87/952833987.db2.gz	UPNWEMDENFLMNB-UHFFFAOYSA-N	-1	0	308.319	0.537	20	30		DCEDRM
CC(C)(C)OCCCCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001602916544	971871368	/nfs/dbraw/zinc/87/13/68/971871368.db2.gz	AIRBISITLMPNAH-UHFFFAOYSA-N	-1	0	323.349	0.562	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C(F)=C3CCC3)C2)c(=O)[n-]c1=O	ZINC001337585220	952882516	/nfs/dbraw/zinc/88/25/16/952882516.db2.gz	SNCKOHKEEJCOCZ-UHFFFAOYSA-N	-1	0	304.281	0.611	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-]	ZINC001339861922	953125460	/nfs/dbraw/zinc/12/54/60/953125460.db2.gz	LNBFMEUSDULIBR-DTWKUNHWSA-N	-1	0	306.384	0.096	20	30		DCEDRM
CCOCCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1	ZINC001341851472	953254446	/nfs/dbraw/zinc/25/44/46/953254446.db2.gz	VDWVOENMAMTEKX-CYBMUJFWSA-N	-1	0	304.350	0.864	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)n(C)n1	ZINC001342039323	953265746	/nfs/dbraw/zinc/26/57/46/953265746.db2.gz	YBXLADNEOZPMLD-SSDOTTSWSA-N	-1	0	318.255	0.524	20	30		DCEDRM
C=CC[C@@H](NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)OCC	ZINC001342433884	953289762	/nfs/dbraw/zinc/28/97/62/953289762.db2.gz	GHXYUNIDGCVVCH-CYBMUJFWSA-N	-1	0	320.345	0.746	20	30		DCEDRM
C=C(C)Cn1c(-c2nn[nH]n2)nnc1N(C)CC1CCOCC1	ZINC001343299803	953336079	/nfs/dbraw/zinc/33/60/79/953336079.db2.gz	WVHFOZHGACHXMW-UHFFFAOYSA-N	-1	0	318.385	0.897	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)CSCC#N	ZINC001281917308	953410597	/nfs/dbraw/zinc/41/05/97/953410597.db2.gz	SCZOAHJNCRHYHI-JTQLQIEISA-N	-1	0	324.410	0.190	20	30		DCEDRM
Cc1oc(C([O-])=C(C#N)C(=O)NC2CC2)cc1S(C)(=O)=O	ZINC001346121720	953805664	/nfs/dbraw/zinc/80/56/64/953805664.db2.gz	HPIKDYVPLNDYAY-VIFPVBQESA-N	-1	0	310.331	0.593	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@H]2[C@@H](C1)C2(F)F	ZINC001346515913	953906636	/nfs/dbraw/zinc/90/66/36/953906636.db2.gz	OWYAPUCOQLMHHF-DTORHVGOSA-N	-1	0	322.319	0.780	20	30		DCEDRM
CN([C@@H]1CCC[C@H]1C#N)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001593716842	954229439	/nfs/dbraw/zinc/22/94/39/954229439.db2.gz	NCWDAVBQKHOZKU-NWDGAFQWSA-N	-1	0	315.395	0.652	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001284332556	955016705	/nfs/dbraw/zinc/01/67/05/955016705.db2.gz	UTRGUWNTBZROEH-IEBDPFPHSA-N	-1	0	322.365	0.249	20	30		DCEDRM
C=CC[C@H](NC(=O)N[C@@H]1CCN(c2ccccn2)C1)C(=O)[O-]	ZINC001350759785	955182654	/nfs/dbraw/zinc/18/26/54/955182654.db2.gz	UWEAPPHAPNHRTF-NEPJUHHUSA-N	-1	0	304.350	0.989	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)Cc1ccccc1C(=O)[O-]	ZINC001593836085	955313558	/nfs/dbraw/zinc/31/35/58/955313558.db2.gz	QGCPVQZNAAUBIV-UHFFFAOYSA-N	-1	0	304.302	0.843	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)COc1ccccc1C#N	ZINC001593838864	955333803	/nfs/dbraw/zinc/33/38/03/955333803.db2.gz	CERLZKFBQCYEDI-UHFFFAOYSA-N	-1	0	320.301	0.413	20	30		DCEDRM
Cn1c(N2CCC[C@@H](C(=O)[O-])C2)nnc1C1(C#N)CCOCC1	ZINC001594522068	955463378	/nfs/dbraw/zinc/46/33/78/955463378.db2.gz	PPARDYDZJKIHNC-LLVKDONJSA-N	-1	0	319.365	0.688	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001285428277	955645654	/nfs/dbraw/zinc/64/56/54/955645654.db2.gz	FEPRWVNPZDDXQP-WDEREUQCSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001285674781	955901830	/nfs/dbraw/zinc/90/18/30/955901830.db2.gz	PPBWMZLYBSKEOT-DTWKUNHWSA-N	-1	0	323.353	0.120	20	30		DCEDRM
N#CCc1ccc(C(=O)NCCOCCOCC(=O)[O-])cc1	ZINC001594611639	956218179	/nfs/dbraw/zinc/21/81/79/956218179.db2.gz	UZDNZBRKIXOEQM-UHFFFAOYSA-N	-1	0	306.318	0.600	20	30		DCEDRM
C=CCCc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1	ZINC001353980182	956242785	/nfs/dbraw/zinc/24/27/85/956242785.db2.gz	DHFBEMGXWMNIEE-UHFFFAOYSA-N	-1	0	313.375	0.873	20	30		DCEDRM
N#Cc1cc2c(n([C@H]3CCN(CC(=O)[O-])C3=O)c1=O)CCC2	ZINC001594617251	956247420	/nfs/dbraw/zinc/24/74/20/956247420.db2.gz	GLKXBARHFCURFM-LBPRGKRZSA-N	-1	0	301.302	0.067	20	30		DCEDRM
N#Cc1ccc(F)c(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c1	ZINC001594619848	956272274	/nfs/dbraw/zinc/27/22/74/956272274.db2.gz	SNUGQFYEOKRSKA-JTQLQIEISA-N	-1	0	319.292	0.959	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC001594620058	956273804	/nfs/dbraw/zinc/27/38/04/956273804.db2.gz	ZMCKLTMJMXRMSK-SNVBAGLBSA-N	-1	0	319.292	0.247	20	30		DCEDRM
N#Cc1ccc(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)s1	ZINC001594621032	956281928	/nfs/dbraw/zinc/28/19/28/956281928.db2.gz	ZAOPNMOLYCSJNB-LLVKDONJSA-N	-1	0	321.358	0.559	20	30		DCEDRM
N#Cc1cccnc1-n1cc(NC(=O)N2CC(C(=O)[O-])C2)cn1	ZINC001594632061	956347811	/nfs/dbraw/zinc/34/78/11/956347811.db2.gz	QCHXTVCCKYLKND-UHFFFAOYSA-N	-1	0	312.289	0.687	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(Cc2ccccc2F)c1=O	ZINC001594633137	956356902	/nfs/dbraw/zinc/35/69/02/956356902.db2.gz	PBQPIVGVYSAYEV-UHFFFAOYSA-N	-1	0	303.249	0.154	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001287593513	956402604	/nfs/dbraw/zinc/40/26/04/956402604.db2.gz	GQTKXRSFNMWUSV-MWLCHTKSSA-N	-1	0	324.381	0.592	20	30		DCEDRM
C[C@@H](OC(=O)c1cnc(C(=O)[O-])cn1)C(=O)NC1(C#N)CCC1	ZINC001589161124	956416369	/nfs/dbraw/zinc/41/63/69/956416369.db2.gz	RWVJNBQGWQPYRU-MRVPVSSYSA-N	-1	0	318.289	0.283	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001287839377	956494953	/nfs/dbraw/zinc/49/49/53/956494953.db2.gz	UNAVERXTUGLXMI-MEBBXXQBSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1	ZINC001589182582	956537877	/nfs/dbraw/zinc/53/78/77/956537877.db2.gz	MBYOCDMEVRTHEB-AWEZNQCLSA-N	-1	0	319.321	0.058	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)Nc2cccc(C#N)n2)CCO1	ZINC001593978205	956684358	/nfs/dbraw/zinc/68/43/58/956684358.db2.gz	RCGPZJCDHMJYJW-AWEZNQCLSA-N	-1	0	320.305	0.287	20	30		DCEDRM
C=CCO[C@H](C)C(=O)NC[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001357018769	957181439	/nfs/dbraw/zinc/18/14/39/957181439.db2.gz	VPRLKGLKRZVMBP-GXSJLCMTSA-N	-1	0	324.381	0.497	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001357415833	957278775	/nfs/dbraw/zinc/27/87/75/957278775.db2.gz	HTSNWZVARZQKRY-ONGXEEELSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C[C@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)[O-]	ZINC001603184532	972287756	/nfs/dbraw/zinc/28/77/56/972287756.db2.gz	DSFBMCSHWIAGIN-SECBINFHSA-N	-1	0	314.305	0.981	20	30		DCEDRM
C=CC[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000150147971	957825880	/nfs/dbraw/zinc/82/58/80/957825880.db2.gz	KWGLRNVEHFBPEX-BDAKNGLRSA-N	-1	0	307.393	0.052	20	30		DCEDRM
CN(C)C(=O)Cn1cnc(NC(=O)c2ccc(C#N)s2)n1	ZINC001361434038	957961762	/nfs/dbraw/zinc/96/17/62/957961762.db2.gz	NPTUEMTXVOWDEM-UHFFFAOYSA-N	-1	0	304.335	0.552	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)/C(=C/c1cccs1)NC(C)=O	ZINC001588394601	958034843	/nfs/dbraw/zinc/03/48/43/958034843.db2.gz	GDXGBMXAFVTPOL-WQLSENKSSA-N	-1	0	306.343	0.772	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1	ZINC001588395594	958041039	/nfs/dbraw/zinc/04/10/39/958041039.db2.gz	OJZPJZHNRATETH-UHFFFAOYSA-N	-1	0	319.273	0.388	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnn(CCCC)c1C	ZINC001588397838	958065384	/nfs/dbraw/zinc/06/53/84/958065384.db2.gz	WFDYQNUWLCPPCK-UHFFFAOYSA-N	-1	0	320.349	0.477	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCNC(=O)c1ccc(F)cc1	ZINC001588408432	958110197	/nfs/dbraw/zinc/11/01/97/958110197.db2.gz	MQTRATHQZIQQOH-UHFFFAOYSA-N	-1	0	321.308	0.285	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1	ZINC001588408716	958116187	/nfs/dbraw/zinc/11/61/87/958116187.db2.gz	AATLZTKJLXOQMJ-UHFFFAOYSA-N	-1	0	321.289	0.833	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc([C@@H]2CCCO2)nn1C	ZINC001588411348	958149515	/nfs/dbraw/zinc/14/95/15/958149515.db2.gz	WWXZKNMRJDPPQG-NSHDSACASA-N	-1	0	306.322	0.823	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC[C@H](Nc2ncccn2)CC1	ZINC001588417269	958168664	/nfs/dbraw/zinc/16/86/64/958168664.db2.gz	FTEYQGPGKLAZCQ-JOCQHMNTSA-N	-1	0	316.361	0.994	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(OC)cc1OCCOC	ZINC001588419130	958192542	/nfs/dbraw/zinc/19/25/42/958192542.db2.gz	SHAPSQCKICZROC-UHFFFAOYSA-N	-1	0	321.329	0.880	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NC(=O)Nc1ccc(OC)cc1	ZINC001588420265	958202022	/nfs/dbraw/zinc/20/20/22/958202022.db2.gz	SLLYATOQWPDXLD-UHFFFAOYSA-N	-1	0	319.317	0.363	20	30		DCEDRM
C#CCN(CC(=O)[O-])Cc1c(C)nn(CC(=O)OC(C)C)c1C	ZINC001588424279	958213425	/nfs/dbraw/zinc/21/34/25/958213425.db2.gz	NGEOEXHGFXSOSB-UHFFFAOYSA-N	-1	0	321.377	0.971	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc2c1OCCC2	ZINC001588426620	958230906	/nfs/dbraw/zinc/23/09/06/958230906.db2.gz	RVRAVQQILFUBAV-UHFFFAOYSA-N	-1	0	309.343	0.720	20	30		DCEDRM
C#CCNC(=S)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001588430361	958255632	/nfs/dbraw/zinc/25/56/32/958255632.db2.gz	BHNWODCOOBFUDA-OPASDULOSA-N	-1	0	310.375	0.080	20	30		DCEDRM
C#CCN1CCC[C@H]1c1nnc(N2CC[C@](C)(C(=O)[O-])C2)n1C	ZINC001588430835	958261825	/nfs/dbraw/zinc/26/18/25/958261825.db2.gz	PPBLIQQQOWJLLZ-LRDDRELGSA-N	-1	0	317.393	0.886	20	30		DCEDRM
COc1ccc([C@@H](CO)CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC001594080875	958265584	/nfs/dbraw/zinc/26/55/84/958265584.db2.gz	UUZGQDRDYZMSRL-MLGOLLRUSA-N	-1	0	320.345	0.892	20	30		DCEDRM
C#CCN(C(=O)c1cccn(CC(=O)[O-])c1=O)c1nccs1	ZINC001573317969	958457902	/nfs/dbraw/zinc/45/79/02/958457902.db2.gz	JEMNZHQCDZQRQF-UHFFFAOYSA-N	-1	0	317.326	0.669	20	30		DCEDRM
CCCN(Cc1ccc(C#N)cc1)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001361905999	958473302	/nfs/dbraw/zinc/47/33/02/958473302.db2.gz	JEKDYXKTFNZSJS-UHFFFAOYSA-N	-1	0	315.333	1.000	20	30		DCEDRM
CC(C)Oc1ccc(C#N)cc1NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001361918020	958485374	/nfs/dbraw/zinc/48/53/74/958485374.db2.gz	WCWVGDBFJXEPMP-UHFFFAOYSA-N	-1	0	317.305	0.987	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)C2(CC(=O)[O-])CCOCC2)C1=O	ZINC001588464371	958491725	/nfs/dbraw/zinc/49/17/25/958491725.db2.gz	NVEWOEWJENGXIJ-GFCCVEGCSA-N	-1	0	324.377	0.503	20	30		DCEDRM
CC(=NNCC(F)(F)C(F)(F)F)c1cn(CC(=O)[O-])nn1	ZINC001588485631	958603486	/nfs/dbraw/zinc/60/34/86/958603486.db2.gz	BAKNGTMGXGOTRC-UHFFFAOYSA-N	-1	0	315.202	0.874	20	30		DCEDRM
Cc1ccc(CO)cc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362129966	958788837	/nfs/dbraw/zinc/78/88/37/958788837.db2.gz	QAUKNFYDBIIILR-UHFFFAOYSA-N	-1	0	314.301	0.260	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(=O)Nc1cccnc1	ZINC001362199202	958916835	/nfs/dbraw/zinc/91/68/35/958916835.db2.gz	HZHZPEJYNMQEMJ-UHFFFAOYSA-N	-1	0	311.301	0.731	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(Cn2cncn2)CC1	ZINC001588536015	958932237	/nfs/dbraw/zinc/93/22/37/958932237.db2.gz	UIKFTAXZNUUZOF-CQSZACIVSA-N	-1	0	305.338	0.521	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nc(C(F)(F)F)n[nH]1	ZINC001588541569	958963534	/nfs/dbraw/zinc/96/35/34/958963534.db2.gz	GMTFIMKQHINFDM-SECBINFHSA-N	-1	0	305.216	0.444	20	30		DCEDRM
C[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)n1cnc(C#N)n1	ZINC001588549056	959008809	/nfs/dbraw/zinc/00/88/09/959008809.db2.gz	RBRASXARPRNLAO-GHMZBOCLSA-N	-1	0	305.338	0.814	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC001588557717	959072622	/nfs/dbraw/zinc/07/26/22/959072622.db2.gz	KMWFWYPZKZPHMJ-GWNMQOMSSA-N	-1	0	314.285	0.418	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCN=S1(=O)CCCC1	ZINC001588558422	959084979	/nfs/dbraw/zinc/08/49/79/959084979.db2.gz	UBODRYNELUPKRD-GFCCVEGCSA-N	-1	0	301.368	0.369	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)Cc1ccc(F)cc1	ZINC001588558504	959088296	/nfs/dbraw/zinc/08/82/96/959088296.db2.gz	XIOPESALQJGFOR-SWLSCSKDSA-N	-1	0	308.309	0.850	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001491758193	959191051	/nfs/dbraw/zinc/19/10/51/959191051.db2.gz	UIXNOJDGXJTQOX-VIFPVBQESA-N	-1	0	323.353	0.121	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC001362362562	959214653	/nfs/dbraw/zinc/21/46/53/959214653.db2.gz	MTTXAQJBRHFCFX-CYBMUJFWSA-N	-1	0	301.285	0.153	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CC(=O)c3ccccc32)c(=O)[n-]c1=O	ZINC001362372409	959233926	/nfs/dbraw/zinc/23/39/26/959233926.db2.gz	DRTWCRMICVTIDA-GFCCVEGCSA-N	-1	0	324.296	0.264	20	30		DCEDRM
C[C@H]1CC(NC(=O)c2nc[n-]c(=O)c2Br)=NO1	ZINC001362431521	959330325	/nfs/dbraw/zinc/33/03/25/959330325.db2.gz	WXPJGNIBAOPNMJ-BYPYZUCNSA-N	-1	0	301.100	0.797	20	30		DCEDRM
COC[C@@]1(CO)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362579727	959635011	/nfs/dbraw/zinc/63/50/11/959635011.db2.gz	CDQFLRNTXKPXAV-HNNXBMFYSA-N	-1	0	305.334	0.438	20	30		DCEDRM
CC(C)c1ocnc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362690538	959838816	/nfs/dbraw/zinc/83/88/16/959838816.db2.gz	UXWMMDZBLMNBRH-UHFFFAOYSA-N	-1	0	317.305	0.362	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCC(F)CC1	ZINC001362702325	959857611	/nfs/dbraw/zinc/85/76/11/959857611.db2.gz	XBSVRALOJXGICV-GRZMOONWSA-N	-1	0	322.340	0.854	20	30		DCEDRM
C[C@H]1CCC[C@H](Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)C1	ZINC001573716390	959874252	/nfs/dbraw/zinc/87/42/52/959874252.db2.gz	SYCOPUCMGYFELZ-QWRGUYRKSA-N	-1	0	305.334	0.793	20	30		DCEDRM
CN(CCCNC(=O)C#CC(C)(C)C)C(=O)c1cnc[nH]c1=O	ZINC001492347347	959914663	/nfs/dbraw/zinc/91/46/63/959914663.db2.gz	HNAYJZYHVZWQHD-UHFFFAOYSA-N	-1	0	318.377	0.810	20	30		DCEDRM
Cc1ncccc1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362747985	959925717	/nfs/dbraw/zinc/92/57/17/959925717.db2.gz	KXXWHUVPTYJKOX-UHFFFAOYSA-N	-1	0	313.317	0.231	20	30		DCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001603268752	972469448	/nfs/dbraw/zinc/46/94/48/972469448.db2.gz	OIWWPBZMEZUUIK-TVQRCGJNSA-N	-1	0	307.306	0.485	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@H](CCSC)c2nnn[n-]2)nn1	ZINC001301162088	959993910	/nfs/dbraw/zinc/99/39/10/959993910.db2.gz	RWCIGEWQDCOSFL-VIFPVBQESA-N	-1	0	322.398	0.592	20	30		DCEDRM
CC[C@H]1CCC[C@@H]1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362867098	960108911	/nfs/dbraw/zinc/10/89/11/960108911.db2.gz	GBDAAPMHGSTJCN-WDEREUQCSA-N	-1	0	304.350	0.763	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CCCn2c3ccccc3[nH]c2=O)c1=O	ZINC001307359911	960149766	/nfs/dbraw/zinc/14/97/66/960149766.db2.gz	YTECUXCUZWLRMD-UHFFFAOYSA-N	-1	0	311.301	0.554	20	30		DCEDRM
N#Cc1ccc2c(c1)N(Cc1cc(=O)n3[n-]c(N)nc3n1)CC2	ZINC001307652183	960157166	/nfs/dbraw/zinc/15/71/66/960157166.db2.gz	PQSKIKOKMCYBOX-UHFFFAOYSA-N	-1	0	307.317	0.434	20	30		DCEDRM
O=C([O-])CNN=Cc1c(Br)nc2n1CCOC2	ZINC001339320272	960165022	/nfs/dbraw/zinc/16/50/22/960165022.db2.gz	STIOKVDNQQOUDW-UHFFFAOYSA-N	-1	0	303.116	0.184	20	30		DCEDRM
Cc1cscc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363128955	960442269	/nfs/dbraw/zinc/44/22/69/960442269.db2.gz	OXZIIWQWSPBLSA-UHFFFAOYSA-N	-1	0	304.331	0.621	20	30		DCEDRM
CN(Cc1ccc2c(c1)OCO2)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363128597	960443552	/nfs/dbraw/zinc/44/35/52/960443552.db2.gz	RAVVYJPYOZZGLR-UHFFFAOYSA-N	-1	0	314.301	0.310	20	30		DCEDRM
N#CCc1cccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001363289542	960799258	/nfs/dbraw/zinc/79/92/58/960799258.db2.gz	ZLUDXGHXVPDMCF-UHFFFAOYSA-N	-1	0	323.312	0.317	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1CN1CC(=O)N(C)C[C@@H]1C(=O)[O-]	ZINC001571073896	960925130	/nfs/dbraw/zinc/92/51/30/960925130.db2.gz	AMFKUVKBMZZNTP-CQSZACIVSA-N	-1	0	301.346	0.902	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)NC[C@@]1(C(=O)[O-])CCOC1	ZINC001571085370	961051260	/nfs/dbraw/zinc/05/12/60/961051260.db2.gz	OGXZRLOSESGTRC-HNNXBMFYSA-N	-1	0	304.302	0.788	20	30		DCEDRM
CCCN1C[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1=O	ZINC001571096855	961179255	/nfs/dbraw/zinc/17/92/55/961179255.db2.gz	QLWPKXAOBJDFJG-LLVKDONJSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@@H](C#N)CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CC1	ZINC001447068439	1013234269	/nfs/dbraw/zinc/23/42/69/1013234269.db2.gz	IZSGVSCGLMWRQJ-JTQLQIEISA-N	-1	0	311.349	0.839	20	30		DCEDRM
CCOC(=O)[C@H](COC)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363493723	961275266	/nfs/dbraw/zinc/27/52/66/961275266.db2.gz	JAQZUCAQAFHVSI-JTQLQIEISA-N	-1	0	307.306	0.275	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC2CCC3(CC3)CC2)c(=O)[n-]c1=O	ZINC001363507712	961304300	/nfs/dbraw/zinc/30/43/00/961304300.db2.gz	JFGMGEJUPSSJQG-UHFFFAOYSA-N	-1	0	316.361	0.907	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2C[C@H]2c2ccsc2)c(=O)[n-]c1=O	ZINC001363514759	961330143	/nfs/dbraw/zinc/33/01/43/961330143.db2.gz	VNXFZDZIRULVIA-WDEREUQCSA-N	-1	0	316.342	0.554	20	30		DCEDRM
N#CC1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCCC1	ZINC001574481250	961671342	/nfs/dbraw/zinc/67/13/42/961671342.db2.gz	XOEOJHGZQJSFOM-NHYWBVRUSA-N	-1	0	307.350	0.813	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CC[C@@H]2C[C@H]2C2CC2)c1=O	ZINC001574492901	961714741	/nfs/dbraw/zinc/71/47/41/961714741.db2.gz	DSZLRGSZLDMUEC-PWSUYJOCSA-N	-1	0	303.318	0.402	20	30		DCEDRM
N#Cc1ccc(CCNS(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1	ZINC001571145620	961736524	/nfs/dbraw/zinc/73/65/24/961736524.db2.gz	DSBCAOIZOOUXGK-UHFFFAOYSA-N	-1	0	320.330	0.501	20	30		DCEDRM
CC(C)(C)n1cc(C#N)cc1NC(=O)NCC(=O)NCC(=O)[O-]	ZINC001571151218	961806675	/nfs/dbraw/zinc/80/66/75/961806675.db2.gz	SSDPKZWGSSBBFR-UHFFFAOYSA-N	-1	0	321.337	0.437	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CC(=O)N(CC2CC2)C1	ZINC001363751557	961812274	/nfs/dbraw/zinc/81/22/74/961812274.db2.gz	KZCLHVIZATZGPM-LBPRGKRZSA-N	-1	0	314.345	0.708	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001574007530	961902468	/nfs/dbraw/zinc/90/24/68/961902468.db2.gz	KSPZXKGSYQFQPB-WDEREUQCSA-N	-1	0	301.368	0.119	20	30		DCEDRM
COC[C@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@H](C)O1	ZINC001363797168	961906921	/nfs/dbraw/zinc/90/69/21/961906921.db2.gz	SOQVFMSOQKVAAG-GXFFZTMASA-N	-1	0	317.349	0.542	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](Cn2ccnn2)C1	ZINC001363931424	962147378	/nfs/dbraw/zinc/14/73/78/962147378.db2.gz	ZDYAPQTUHKXFIA-LLVKDONJSA-N	-1	0	312.333	0.721	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3cccc(O)c3)C2)c(=O)[n-]c1=O	ZINC001363946864	962175978	/nfs/dbraw/zinc/17/59/78/962175978.db2.gz	IDEXKRKUNYOQPE-UHFFFAOYSA-N	-1	0	312.285	0.223	20	30		DCEDRM
COC[C@H](NC(=O)C(F)(F)c1ccccc1C#N)c1nnn[n-]1	ZINC001364035697	962339315	/nfs/dbraw/zinc/33/93/15/962339315.db2.gz	RCFOYAIJZDECGH-JTQLQIEISA-N	-1	0	322.275	0.667	20	30		DCEDRM
Cc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cc1C#N	ZINC001364105306	962483160	/nfs/dbraw/zinc/48/31/60/962483160.db2.gz	APNAGLFBVYYYMZ-UHFFFAOYSA-N	-1	0	323.312	0.431	20	30		DCEDRM
C#CCCCCCC(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])C[C@H]1C	ZINC001573301831	962638354	/nfs/dbraw/zinc/63/83/54/962638354.db2.gz	KNOUKSXZUHLONU-CHWSQXEVSA-N	-1	0	323.393	0.801	20	30		DCEDRM
COC(=O)c1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)s1	ZINC001364208353	962675916	/nfs/dbraw/zinc/67/59/16/962675916.db2.gz	DECCPZBJQWCQKK-UHFFFAOYSA-N	-1	0	320.330	0.405	20	30		DCEDRM
O=C([O-])CCCCC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC001574699863	962678248	/nfs/dbraw/zinc/67/82/48/962678248.db2.gz	XOROULYINYKDCW-BUHFOSPRSA-N	-1	0	309.322	0.274	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H]1CCN(C(=O)CNC(=O)[O-])C[C@H]1C	ZINC001573304029	962685079	/nfs/dbraw/zinc/68/50/79/962685079.db2.gz	XFDSRMMIAWDZJD-OLZOCXBDSA-N	-1	0	323.393	0.658	20	30		DCEDRM
C#Cc1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)cc1	ZINC001573311615	962707573	/nfs/dbraw/zinc/70/75/73/962707573.db2.gz	CSTXKLOAPXEXQU-UHFFFAOYSA-N	-1	0	305.315	0.568	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)NC(=O)CNC(=O)[O-])cc1	ZINC001573311869	962715330	/nfs/dbraw/zinc/71/53/30/962715330.db2.gz	IRGCRJYKNRLUDL-GHMZBOCLSA-N	-1	0	317.345	0.559	20	30		DCEDRM
C=C(Br)CN(C)CCCN(C)C(=O)CNC(=O)[O-]	ZINC001573313164	962728919	/nfs/dbraw/zinc/72/89/19/962728919.db2.gz	CXDWYNQOGNALCT-UHFFFAOYSA-N	-1	0	322.203	0.943	20	30		DCEDRM
C=C(Br)CN(CC)CCNC(=O)CNC(=O)[O-]	ZINC001573314136	962743290	/nfs/dbraw/zinc/74/32/90/962743290.db2.gz	YLYVRPFFIYARLI-UHFFFAOYSA-N	-1	0	308.176	0.601	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573320696	962750722	/nfs/dbraw/zinc/75/07/22/962750722.db2.gz	DUHFMMWJUSCRLN-RYUDHWBXSA-N	-1	0	308.378	0.979	20	30		DCEDRM
C=C(C)CCC(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573324213	962781730	/nfs/dbraw/zinc/78/17/30/962781730.db2.gz	OYDKZLSFRCTDAL-NEPJUHHUSA-N	-1	0	324.377	0.143	20	30		DCEDRM
CC(C)[C@]1(C)C[C@@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364295804	962843834	/nfs/dbraw/zinc/84/38/34/962843834.db2.gz	NFCVXEFLMQLZIF-NHYWBVRUSA-N	-1	0	319.365	0.554	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001573346619	962942262	/nfs/dbraw/zinc/94/22/62/962942262.db2.gz	FCJOHCXJZZXPAA-OAHLLOKOSA-N	-1	0	320.349	0.151	20	30		DCEDRM
C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1C(=O)CNC(=O)[O-]	ZINC001573348703	962960592	/nfs/dbraw/zinc/96/05/92/962960592.db2.gz	ZRRYKLNUFJKHAE-LLVKDONJSA-N	-1	0	311.382	0.916	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001573369747	963101431	/nfs/dbraw/zinc/10/14/31/963101431.db2.gz	ZEKACEQBRRUKOE-GFCCVEGCSA-N	-1	0	320.349	0.462	20	30		DCEDRM
CC(C)(CC#N)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000315797966	963936247	/nfs/dbraw/zinc/93/62/47/963936247.db2.gz	PFEPMCGVIOSKRJ-UHFFFAOYSA-N	-1	0	300.340	0.186	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588435367	964021582	/nfs/dbraw/zinc/02/15/82/964021582.db2.gz	NKUXNGRNBXRNMY-SDDRHHMPSA-N	-1	0	303.380	0.324	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588435483	964023930	/nfs/dbraw/zinc/02/39/30/964023930.db2.gz	RWAOANCIUMWFHH-NSHDSACASA-N	-1	0	322.342	0.309	20	30		DCEDRM
C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2CC[C@H]2C(=O)[O-])c1	ZINC001588439462	964029648	/nfs/dbraw/zinc/02/96/48/964029648.db2.gz	WKARPJDBBZOBRY-UONOGXRCSA-N	-1	0	314.341	0.858	20	30		DCEDRM
C#CCCCCC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588440554	964039094	/nfs/dbraw/zinc/03/90/94/964039094.db2.gz	ZVVAZDJJRFEPBE-GFCCVEGCSA-N	-1	0	316.361	0.803	20	30		DCEDRM
C[C@@H]1CCCC[C@H]1OCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001515362573	1017117865	/nfs/dbraw/zinc/11/78/65/1017117865.db2.gz	QAAPVGVDZJZNEA-ZYHUDNBSSA-N	-1	0	306.366	0.952	20	30		DCEDRM
COCc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001448628436	1013971755	/nfs/dbraw/zinc/97/17/55/1013971755.db2.gz	HBNRYJVKHWZHST-UHFFFAOYSA-N	-1	0	314.301	0.606	20	30		DCEDRM
C#CC[C@]1(C(=O)NCC(=O)[O-])CCCN1C(=O)OC(C)(C)C	ZINC001609623898	970423583	/nfs/dbraw/zinc/42/35/83/970423583.db2.gz	LOPAZOYGYCTJGA-OAHLLOKOSA-N	-1	0	310.350	0.980	20	30		DCEDRM
C[C@H](C(=O)[O-])N(C(=O)C(=O)Nc1cccc(C#N)c1)C1CC1	ZINC001609706448	970482364	/nfs/dbraw/zinc/48/23/64/970482364.db2.gz	TYPIWEDRTXODTE-SECBINFHSA-N	-1	0	301.302	0.961	20	30		DCEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NCc1ccco1	ZINC001609972893	970624368	/nfs/dbraw/zinc/62/43/68/970624368.db2.gz	QQJVIQVNSLNKCZ-YMTOWFKASA-N	-1	0	308.290	0.832	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000320295664	970644123	/nfs/dbraw/zinc/64/41/23/970644123.db2.gz	RDAWQOWZNBEZGB-QMMMGPOBSA-N	-1	0	303.311	0.739	20	30		DCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCN1CC(C)(C)O	ZINC001610090557	970662322	/nfs/dbraw/zinc/66/23/22/970662322.db2.gz	JDTPBBVKHIKMLP-ABAIWWIYSA-N	-1	0	311.382	0.295	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1c(C)csc1C(=O)[O-]	ZINC000321099722	970743173	/nfs/dbraw/zinc/74/31/73/970743173.db2.gz	MBTNQYXTUJDJNT-QMMMGPOBSA-N	-1	0	305.377	0.970	20	30		DCEDRM
C[C@@]1(C#N)CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	ZINC001603290437	972544815	/nfs/dbraw/zinc/54/48/15/972544815.db2.gz	MKKFXGDDIYJKNI-JQWIXIFHSA-N	-1	0	301.368	0.406	20	30		DCEDRM
C[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)[O-]	ZINC001605042498	972658804	/nfs/dbraw/zinc/65/88/04/972658804.db2.gz	XCBXLPSUBNBDTB-QMMMGPOBSA-N	-1	0	300.278	0.734	20	30		DCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001603392425	973015874	/nfs/dbraw/zinc/01/58/74/973015874.db2.gz	RPJMIZBPNOOZQS-VHSXEESVSA-N	-1	0	315.333	0.992	20	30		DCEDRM
COC(=O)c1c(NC(=O)[C@](C)(C#N)CC(=O)[O-])nc2n1CCC2	ZINC001604365802	973060903	/nfs/dbraw/zinc/06/09/03/973060903.db2.gz	CBSXXXKFSPRDPW-AWEZNQCLSA-N	-1	0	320.305	0.559	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCc1ccc(C#N)cc1[N+](=O)[O-]	ZINC001604461312	973303108	/nfs/dbraw/zinc/30/31/08/973303108.db2.gz	HPVLBTSRFDDAJD-CYBMUJFWSA-N	-1	0	308.246	0.999	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@]2(CCO[C@@H]2C)C1	ZINC001448974005	1014113637	/nfs/dbraw/zinc/11/36/37/1014113637.db2.gz	VRHORIDPPJQSAV-BDJLRTHQSA-N	-1	0	317.345	0.987	20	30		DCEDRM
Cc1nnc(S[C@H]2CCN(CC(=O)[O-])C2=O)c(C#N)c1C	ZINC001605444790	973512027	/nfs/dbraw/zinc/51/20/27/973512027.db2.gz	VONRGYVIRYGCJW-JTQLQIEISA-N	-1	0	306.347	0.743	20	30		DCEDRM
Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)C#CC3CC3)C2)cn1	ZINC001605484068	973607751	/nfs/dbraw/zinc/60/77/51/973607751.db2.gz	SLGZYUMBKDQDPP-CHWSQXEVSA-N	-1	0	301.346	0.850	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(c2nnc(C)c(C)c2C#N)CCO1	ZINC001604565366	973631885	/nfs/dbraw/zinc/63/18/85/973631885.db2.gz	UERVMLAHLCXJJB-AWEZNQCLSA-N	-1	0	306.322	0.272	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)Nc1ccn(CCC#N)n1	ZINC001604600424	973705672	/nfs/dbraw/zinc/70/56/72/973705672.db2.gz	NDQUGPOQLPEJAV-UHFFFAOYSA-N	-1	0	309.326	0.752	20	30		DCEDRM
N#C[C@@H]1CCC[C@H](OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001605583032	973870304	/nfs/dbraw/zinc/87/03/04/973870304.db2.gz	JWPZSEVKABLMSC-WOPDTQHZSA-N	-1	0	308.334	0.935	20	30		DCEDRM
N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001605583029	973870745	/nfs/dbraw/zinc/87/07/45/973870745.db2.gz	JWPZSEVKABLMSC-GRYCIOLGSA-N	-1	0	308.334	0.935	20	30		DCEDRM
N#CCN1CCC(CNC(=O)C2(C(=O)[O-])CCOCC2)CC1	ZINC001605585847	973877391	/nfs/dbraw/zinc/87/73/91/973877391.db2.gz	KEBCXZQIIHKMFN-UHFFFAOYSA-N	-1	0	309.366	0.220	20	30		DCEDRM
N#CCc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1	ZINC001605601497	973903184	/nfs/dbraw/zinc/90/31/84/973903184.db2.gz	NSXPJFQEUHPXGS-LBPRGKRZSA-N	-1	0	322.342	0.076	20	30		DCEDRM
CC(C)[C@H](NC(=O)CN1C[C@@H](C)N(CC#N)[C@H](C)C1)C(=O)[O-]	ZINC001591868654	976193001	/nfs/dbraw/zinc/19/30/01/976193001.db2.gz	YNZVLWNOIZUMHG-BZPMIXESSA-N	-1	0	310.398	0.130	20	30		DCEDRM
C[C@H](CC#N)C(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-]	ZINC001592213173	977272640	/nfs/dbraw/zinc/27/26/40/977272640.db2.gz	WOAACGCJIBPDEE-KXUCPTDWSA-N	-1	0	313.379	0.417	20	30		DCEDRM
C[C@H](CC#N)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC001592222168	977406000	/nfs/dbraw/zinc/40/60/00/977406000.db2.gz	SFNOGACNCCMUMO-RISCZKNCSA-N	-1	0	301.346	0.916	20	30		DCEDRM
C[C@H](CC#N)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC001592222166	977406161	/nfs/dbraw/zinc/40/61/61/977406161.db2.gz	SFNOGACNCCMUMO-BXUZGUMPSA-N	-1	0	301.346	0.916	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000717436706	977900543	/nfs/dbraw/zinc/90/05/43/977900543.db2.gz	CRYHIRJPVSKBQI-ZCFIWIBFSA-N	-1	0	307.274	0.488	20	30		DCEDRM
CC[C@H](CNC(=O)C#CC1CC1)Nc1ncc(C(=O)[O-])cn1	ZINC001595131083	979547185	/nfs/dbraw/zinc/54/71/85/979547185.db2.gz	JLWFAXDGTVCIIV-GFCCVEGCSA-N	-1	0	302.334	0.895	20	30		DCEDRM
C[C@H](NC(=O)C(=O)NCCCCC#N)c1ncc(C(=O)[O-])s1	ZINC001592981661	980160522	/nfs/dbraw/zinc/16/05/22/980160522.db2.gz	XUUNLOWSEGKGMZ-QMMMGPOBSA-N	-1	0	324.362	0.829	20	30		DCEDRM
Cc1ccoc1C([O-])=C(C#N)C(=O)N1CCS(=O)(=O)CC1	ZINC001523842895	1014778654	/nfs/dbraw/zinc/77/86/54/1014778654.db2.gz	NYBUJGXBJDSQRK-JTQLQIEISA-N	-1	0	310.331	0.168	20	30		DCEDRM
CCCCCCCS(=O)(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-]	ZINC001595709002	982289202	/nfs/dbraw/zinc/28/92/02/982289202.db2.gz	QBWLRYWERJCPLV-NSHDSACASA-N	-1	0	320.411	0.514	20	30		DCEDRM
CCCCOCCNC(=O)CN1CCC(C#N)(C(=O)[O-])CC1	ZINC001595769858	982502681	/nfs/dbraw/zinc/50/26/81/982502681.db2.gz	GBGGAYAVKCMKQM-UHFFFAOYSA-N	-1	0	311.382	0.610	20	30		DCEDRM
CCCN(CCNC(=O)[C@H](C)C#N)c1ccnc(C(=O)[O-])n1	ZINC001595878375	982869785	/nfs/dbraw/zinc/86/97/85/982869785.db2.gz	ANVYRTYCBJVCGR-SNVBAGLBSA-N	-1	0	305.338	0.667	20	30		DCEDRM
CCCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1nccnc1C#N	ZINC001595882328	982894083	/nfs/dbraw/zinc/89/40/83/982894083.db2.gz	GOHAVNCENLLCFT-MNOVXSKESA-N	-1	0	317.349	0.402	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC001573534583	983055083	/nfs/dbraw/zinc/05/50/83/983055083.db2.gz	AOPINRGDDHTNKI-VWYCJHECSA-N	-1	0	319.383	0.077	20	30		DCEDRM
Cc1c(C(=O)Nc2nn(C)cc2C(=O)[O-])cnn1CCC#N	ZINC001574114604	983173131	/nfs/dbraw/zinc/17/31/31/983173131.db2.gz	WRWCHMAELKSIOO-UHFFFAOYSA-N	-1	0	302.294	0.789	20	30		DCEDRM
Cn1cc(S(=O)(=O)NCc2ccnc(C#N)c2)cc1C(=O)[O-]	ZINC001574224123	983198148	/nfs/dbraw/zinc/19/81/48/983198148.db2.gz	DJOQLDSLDHHZJI-UHFFFAOYSA-N	-1	0	320.330	0.468	20	30		DCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001588368924	983308949	/nfs/dbraw/zinc/30/89/49/983308949.db2.gz	VODMMQNETOCWAE-MRVPVSSYSA-N	-1	0	312.303	0.935	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1	ZINC001588376867	983354719	/nfs/dbraw/zinc/35/47/19/983354719.db2.gz	YUXGCJQGMRJYGO-UHFFFAOYSA-N	-1	0	308.240	0.646	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588382914	983375513	/nfs/dbraw/zinc/37/55/13/983375513.db2.gz	VXCYKEJWOBCVBK-SECBINFHSA-N	-1	0	304.306	0.071	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC001588383629	983382593	/nfs/dbraw/zinc/38/25/93/983382593.db2.gz	GGVLELISNHVVBU-CYBMUJFWSA-N	-1	0	318.329	0.694	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1scc(C)c1C(=O)[O-]	ZINC001588383685	983383070	/nfs/dbraw/zinc/38/30/70/983383070.db2.gz	HNXCBQICFXNKGC-SECBINFHSA-N	-1	0	322.342	0.554	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)NCCc1cccc(C(=O)[O-])c1	ZINC001588384218	983387514	/nfs/dbraw/zinc/38/75/14/983387514.db2.gz	ZHYOXTUVTPQIRK-CQSZACIVSA-N	-1	0	302.330	0.971	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588389881	983389573	/nfs/dbraw/zinc/38/95/73/983389573.db2.gz	DUXVJMIIZMZOJQ-LLVKDONJSA-N	-1	0	319.317	0.263	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588389936	983390249	/nfs/dbraw/zinc/39/02/49/983390249.db2.gz	GFKDXGNSTCWPCP-JHJVBQTASA-N	-1	0	324.377	0.100	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC001588393273	983396996	/nfs/dbraw/zinc/39/69/96/983396996.db2.gz	FCBVPFQFVDYQQJ-VIFPVBQESA-N	-1	0	324.358	0.848	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)C(=O)[O-]	ZINC001588406110	983424283	/nfs/dbraw/zinc/42/42/83/983424283.db2.gz	MBVHLJPRPHFHOW-RKDXNWHRSA-N	-1	0	309.347	0.440	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1c(Br)cnn1C)C(=O)[O-]	ZINC001588406237	983424666	/nfs/dbraw/zinc/42/46/66/983424666.db2.gz	ZSVMJFWZLVUFIZ-MRVPVSSYSA-N	-1	0	314.139	0.318	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C)C(=O)OC	ZINC001588414522	983434473	/nfs/dbraw/zinc/43/44/73/983434473.db2.gz	VHSZLWBBJBFJQE-SNVBAGLBSA-N	-1	0	306.318	0.878	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccccc1SCC(N)=O)C(=O)[O-]	ZINC001588417008	983438014	/nfs/dbraw/zinc/43/80/14/983438014.db2.gz	URTQEWYVXBICHT-JTQLQIEISA-N	-1	0	306.343	0.470	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1c(CC)nn(C)c1CC)C(=O)[O-]	ZINC001588424147	983455000	/nfs/dbraw/zinc/45/50/00/983455000.db2.gz	SMIDRWPLHOJWKA-JTQLQIEISA-N	-1	0	313.379	0.300	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1)C(=O)[O-]	ZINC001588424552	983456076	/nfs/dbraw/zinc/45/60/76/983456076.db2.gz	WVTOGSDBULMARS-SDDRHHMPSA-N	-1	0	301.364	0.340	20	30		DCEDRM
C#CCC1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CCC1	ZINC001588428175	983460090	/nfs/dbraw/zinc/46/00/90/983460090.db2.gz	DZSJVFLNHNQLGI-RNJOBUHISA-N	-1	0	318.373	0.664	20	30		DCEDRM
C#CCC1(O)CCN(C(=O)Nc2c(C(=O)[O-])cnn2C)CC1	ZINC001588431140	983464612	/nfs/dbraw/zinc/46/46/12/983464612.db2.gz	HZFKPPBKHNLRIQ-UHFFFAOYSA-N	-1	0	306.322	0.500	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1	ZINC001588431899	983466225	/nfs/dbraw/zinc/46/62/25/983466225.db2.gz	QHBYBDLEZHFBDL-CHWSQXEVSA-N	-1	0	306.362	0.572	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC001588461300	983489330	/nfs/dbraw/zinc/48/93/30/983489330.db2.gz	LCLKSSMSCOCWQF-UHFFFAOYSA-N	-1	0	304.302	0.489	20	30		DCEDRM
C#CCN(C1CSC1)S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001588464678	983493868	/nfs/dbraw/zinc/49/38/68/983493868.db2.gz	CPESSLNKOVFQKK-UHFFFAOYSA-N	-1	0	301.345	0.717	20	30		DCEDRM
C#CCN(CC(=O)NC1(CC(=O)[O-])CC1)C(=O)OC(C)(C)C	ZINC001588465967	983497544	/nfs/dbraw/zinc/49/75/44/983497544.db2.gz	PCJWEKPTVRBPLW-UHFFFAOYSA-N	-1	0	310.350	0.980	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	ZINC001588475255	983507883	/nfs/dbraw/zinc/50/78/83/983507883.db2.gz	AXRPPCWASHWWPQ-FOCJUVANSA-N	-1	0	305.378	0.637	20	30		DCEDRM
C#CCN1CCCC[C@@H]1c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C	ZINC001588477414	983516347	/nfs/dbraw/zinc/51/63/47/983516347.db2.gz	PSGUSDULPOIXSQ-QWHCGFSZSA-N	-1	0	317.393	0.886	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)NC2CC(CC(=O)[O-])C2)CC1	ZINC001588479374	983519083	/nfs/dbraw/zinc/51/90/83/983519083.db2.gz	LJWTZQCAXKNABW-UHFFFAOYSA-N	-1	0	321.377	0.411	20	30		DCEDRM
C#CCO[C@H](C)C(=O)O[C@H]1C[C@H](C(=O)[O-])N(c2cnccn2)C1	ZINC001588490613	983533467	/nfs/dbraw/zinc/53/34/67/983533467.db2.gz	RNCFHEIPWPSZRG-GRYCIOLGSA-N	-1	0	319.317	0.090	20	30		DCEDRM
C#CCOc1ccc(N2C(=O)N[C@H](CCC(=O)[O-])C2=O)cc1	ZINC001588498063	983542919	/nfs/dbraw/zinc/54/29/19/983542919.db2.gz	UFVWPQSSVFRBAK-GFCCVEGCSA-N	-1	0	302.286	0.988	20	30		DCEDRM
C#CCSCCNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588506016	983550668	/nfs/dbraw/zinc/55/06/68/983550668.db2.gz	DUDVLDUBJBYNPO-SNVBAGLBSA-N	-1	0	323.378	0.299	20	30		DCEDRM
C#CCSCCn1nnnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588509357	983552543	/nfs/dbraw/zinc/55/25/43/983552543.db2.gz	ACUPTXSIFPUPIX-GHMZBOCLSA-N	-1	0	309.395	0.587	20	30		DCEDRM
C#Cc1cc(F)c(NC(=O)C(=O)NC2(C(=O)[O-])CC2)c(F)c1	ZINC001588510792	983557269	/nfs/dbraw/zinc/55/72/69/983557269.db2.gz	LXDBFSULASGHAM-UHFFFAOYSA-N	-1	0	308.240	0.618	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N[C@H](COCC=C)C(=O)[O-])cc1	ZINC001588518270	983568886	/nfs/dbraw/zinc/56/88/86/983568886.db2.gz	ZCUKOJDCDUVDTG-CYBMUJFWSA-N	-1	0	309.343	0.602	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)c1	ZINC001588523583	983572835	/nfs/dbraw/zinc/57/28/35/983572835.db2.gz	PHARKPXVEAUSHR-GWCFXTLKSA-N	-1	0	316.313	0.307	20	30		DCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC001588537761	983601663	/nfs/dbraw/zinc/60/16/63/983601663.db2.gz	XQUNSQMDFHCOCK-VIFPVBQESA-N	-1	0	303.336	0.892	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1	ZINC001588546743	983616698	/nfs/dbraw/zinc/61/66/98/983616698.db2.gz	BTJVPBJSSGOENL-GFCCVEGCSA-N	-1	0	320.349	0.505	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1cccc(OCC(N)=O)c1)C(=O)[O-]	ZINC001588547642	983621253	/nfs/dbraw/zinc/62/12/53/983621253.db2.gz	FMQJUJQSZLEWDP-LBPRGKRZSA-N	-1	0	306.318	0.700	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cncc(C(=O)[O-])c1	ZINC001596230953	983625292	/nfs/dbraw/zinc/62/52/92/983625292.db2.gz	DLDMGUQUOMTONR-SNVBAGLBSA-N	-1	0	319.317	0.945	20	30		DCEDRM
C=C(C)Cn1c([C@@H](O)CC)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588591122	983671712	/nfs/dbraw/zinc/67/17/12/983671712.db2.gz	FUVLWPLYMTYXTR-WOPDTQHZSA-N	-1	0	324.381	0.976	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588599199	983688681	/nfs/dbraw/zinc/68/86/81/983688681.db2.gz	IJXVIRSKRFSKOW-USZNOCQGSA-N	-1	0	311.334	0.300	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	ZINC001588618876	983713377	/nfs/dbraw/zinc/71/33/77/983713377.db2.gz	DCPQSOCOVLFYKK-GXFFZTMASA-N	-1	0	301.364	0.301	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@]1(c2cnn(C)c2)CCCO1	ZINC001588624258	983730954	/nfs/dbraw/zinc/73/09/54/983730954.db2.gz	BYXLGTPLIRVBSA-OAHLLOKOSA-N	-1	0	307.350	0.963	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001588633328	983748648	/nfs/dbraw/zinc/74/86/48/983748648.db2.gz	LJZNOUXDCORAHC-CYBMUJFWSA-N	-1	0	320.345	0.951	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1c[nH]c(C#N)c1	ZINC001596332269	983769939	/nfs/dbraw/zinc/76/99/39/983769939.db2.gz	HAARGJWXGUASTH-VXGBXAGGSA-N	-1	0	318.333	0.185	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1nc(C)cc(C#N)n1	ZINC001596332905	983771247	/nfs/dbraw/zinc/77/12/47/983771247.db2.gz	MHJLEHISEUQTCC-NWDGAFQWSA-N	-1	0	317.349	0.320	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CC(S(=O)(=O)N2CCc3ccccc32)C1	ZINC001588664216	983798901	/nfs/dbraw/zinc/79/89/01/983798901.db2.gz	OHUJOTVBXMEAOJ-CYBMUJFWSA-N	-1	0	322.386	0.702	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1	ZINC001588673061	983828590	/nfs/dbraw/zinc/82/85/90/983828590.db2.gz	HLFBLWNFEFLZPA-NSHDSACASA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=CC(C)(C)CCNC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001588677150	983833541	/nfs/dbraw/zinc/83/35/41/983833541.db2.gz	UHFSLDKXGUDRJM-UHFFFAOYSA-N	-1	0	322.365	0.933	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O	ZINC001588683111	983846635	/nfs/dbraw/zinc/84/66/35/983846635.db2.gz	USHCNKBCDQEAEY-ZWKOPEQDSA-N	-1	0	303.380	0.593	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCCCN(C)c1ccnc(C(=O)[O-])n1	ZINC001588683647	983849396	/nfs/dbraw/zinc/84/93/96/983849396.db2.gz	BDCQXGRSRTZONU-HNNXBMFYSA-N	-1	0	322.365	0.444	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)NCc1ccc(C(=O)[O-])s1	ZINC001588693069	983889786	/nfs/dbraw/zinc/88/97/86/983889786.db2.gz	QPCISARRQNMFCV-MRVPVSSYSA-N	-1	0	312.347	0.380	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CCC(C(=O)[O-])CC2)n1CCOC	ZINC001588704548	983924080	/nfs/dbraw/zinc/92/40/80/983924080.db2.gz	GBQSUTCMXXVIJW-LLVKDONJSA-N	-1	0	310.354	0.445	20	30		DCEDRM
C=C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC001588711175	983936234	/nfs/dbraw/zinc/93/62/34/983936234.db2.gz	MJSMTVQBAKIDLD-NSHDSACASA-N	-1	0	313.331	0.490	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC001588744236	984041471	/nfs/dbraw/zinc/04/14/71/984041471.db2.gz	IWELAPFPDXNIIO-QMMMGPOBSA-N	-1	0	312.347	0.746	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588745104	984048980	/nfs/dbraw/zinc/04/89/80/984048980.db2.gz	VSRAJUBABUKTAF-HFXYEQLZSA-N	-1	0	312.366	0.635	20	30		DCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1	ZINC001588771127	984138030	/nfs/dbraw/zinc/13/80/30/984138030.db2.gz	OUESNXXLEMNKAK-AGIUHOORSA-N	-1	0	324.377	0.502	20	30		DCEDRM
C=CC[C@@H]1NC(=O)N([C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1=O	ZINC001588773997	984150354	/nfs/dbraw/zinc/15/03/54/984150354.db2.gz	OESQYDZFFRQQGN-WWALYXLFSA-N	-1	0	308.334	0.895	20	30		DCEDRM
C=CCCC[C@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-]	ZINC001588788878	984194583	/nfs/dbraw/zinc/19/45/83/984194583.db2.gz	QJDSERYQUBHXEV-WOPDTQHZSA-N	-1	0	312.366	0.725	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@]12CCC(=O)N1CCS2)C(=O)[O-]	ZINC001588789824	984201671	/nfs/dbraw/zinc/20/16/71/984201671.db2.gz	KMEPJNDDYDELHG-QMTHXVAHSA-N	-1	0	312.391	0.978	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CCc2nnnn2CC1)C(=O)[O-]	ZINC001588790194	984204458	/nfs/dbraw/zinc/20/44/58/984204458.db2.gz	SJKMHJNNYYWWQP-GHMZBOCLSA-N	-1	0	307.354	0.551	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1ccc(C(=O)NC)nc1)C(=O)[O-]	ZINC001588792529	984210202	/nfs/dbraw/zinc/21/02/02/984210202.db2.gz	JRNGIBRVZWMQEF-GFCCVEGCSA-N	-1	0	305.334	0.981	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C(=O)OC	ZINC001588797987	984232765	/nfs/dbraw/zinc/23/27/65/984232765.db2.gz	QHRRSOVGHLDCKR-ZJUUUORDSA-N	-1	0	307.368	0.524	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1cnc2n(c1=O)CCS2)C(=O)[O-]	ZINC001588798040	984232919	/nfs/dbraw/zinc/23/29/19/984232919.db2.gz	RUGOWOXYYRMVQI-JTQLQIEISA-N	-1	0	323.374	0.888	20	30		DCEDRM
C=CCCCNC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588801563	984246256	/nfs/dbraw/zinc/24/62/56/984246256.db2.gz	OMOMHWDLXJFUMU-XHDPSFHLSA-N	-1	0	310.350	0.019	20	30		DCEDRM
C=CCCn1cc(CN2C[C@H](C(=O)[O-])CC[C@H]2C(=O)OC)nn1	ZINC001588820128	984282273	/nfs/dbraw/zinc/28/22/73/984282273.db2.gz	RILQXNQEJFHJNP-YPMHNXCESA-N	-1	0	322.365	0.692	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1=O	ZINC001588836705	984328626	/nfs/dbraw/zinc/32/86/26/984328626.db2.gz	FNJYGMWXLHZANT-RWMBFGLXSA-N	-1	0	324.377	0.644	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(C(=O)[O-])n1	ZINC001588844084	984355696	/nfs/dbraw/zinc/35/56/96/984355696.db2.gz	PMJBLGWPSBQDHW-MRVPVSSYSA-N	-1	0	321.289	0.337	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C)nc2cc(C)nn21)C(=O)[O-]	ZINC001588859157	984403487	/nfs/dbraw/zinc/40/34/87/984403487.db2.gz	BHUAQTNKTBFXDQ-LLVKDONJSA-N	-1	0	318.333	0.732	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnn(-c2ccccc2)n1)C(=O)[O-]	ZINC001588860102	984410651	/nfs/dbraw/zinc/41/06/51/984410651.db2.gz	IXQJQWQHAWHRLP-ZDUSSCGKSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)C1(COC)CCC1)C(=O)[O-]	ZINC001588866025	984421731	/nfs/dbraw/zinc/42/17/31/984421731.db2.gz	HCEWHLOXYMLLSY-SNVBAGLBSA-N	-1	0	307.368	0.131	20	30		DCEDRM
C=CCOCCNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588869190	984438850	/nfs/dbraw/zinc/43/88/50/984438850.db2.gz	YKLGJITYSRGLKI-SNVBAGLBSA-N	-1	0	308.338	0.918	20	30		DCEDRM
C=CCOCCNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588869189	984438866	/nfs/dbraw/zinc/43/88/66/984438866.db2.gz	YKLGJITYSRGLKI-JTQLQIEISA-N	-1	0	308.338	0.918	20	30		DCEDRM
C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])cc1	ZINC001588875089	984451097	/nfs/dbraw/zinc/45/10/97/984451097.db2.gz	VIBKHOCCBXUZPB-JTQLQIEISA-N	-1	0	307.302	0.998	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)N1CC(O)(C(=O)[O-])C1	ZINC001588877277	984452280	/nfs/dbraw/zinc/45/22/80/984452280.db2.gz	GNUCLWPSQHCABF-UHFFFAOYSA-N	-1	0	306.318	0.592	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1ccc(C(=O)[O-])cc1F	ZINC001588878964	984456302	/nfs/dbraw/zinc/45/63/02/984456302.db2.gz	PKYVOIFENSMHDN-UHFFFAOYSA-N	-1	0	315.322	0.855	20	30		DCEDRM
C=CCSCCNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588879877	984460140	/nfs/dbraw/zinc/46/01/40/984460140.db2.gz	WPEMDOUOYQJDRQ-CYBMUJFWSA-N	-1	0	313.379	0.921	20	30		DCEDRM
C=CCn1c([C@H](CC)CO)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC001588895982	984497841	/nfs/dbraw/zinc/49/78/41/984497841.db2.gz	PEQFZNMQFCHAJD-IJLUTSLNSA-N	-1	0	324.381	0.628	20	30		DCEDRM
C=CCn1c(C)nnc1S[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588896375	984501369	/nfs/dbraw/zinc/50/13/69/984501369.db2.gz	IJVTUIJHJPAIKX-JTQLQIEISA-N	-1	0	310.379	0.940	20	30		DCEDRM
C=CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588898237	984516889	/nfs/dbraw/zinc/51/68/89/984516889.db2.gz	UIMFYNZUVRRLBB-WDEREUQCSA-N	-1	0	308.338	0.258	20	30		DCEDRM
C=CCn1c(CC(F)F)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588898256	984516962	/nfs/dbraw/zinc/51/69/62/984516962.db2.gz	UXFKAUJMGGMLCC-MRVPVSSYSA-N	-1	0	302.281	0.562	20	30		DCEDRM
C=CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588898235	984517129	/nfs/dbraw/zinc/51/71/29/984517129.db2.gz	UIMFYNZUVRRLBB-MNOVXSKESA-N	-1	0	308.338	0.258	20	30		DCEDRM
C=CCn1c(N2CC[C@](C)(C(=O)[O-])C2)nnc1[C@](C)(O)COC	ZINC001588904327	984528814	/nfs/dbraw/zinc/52/88/14/984528814.db2.gz	OKFAYSQTLZFRDA-LSDHHAIUSA-N	-1	0	324.381	0.619	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)nn1	ZINC001588909792	984545316	/nfs/dbraw/zinc/54/53/16/984545316.db2.gz	AJXCRUCDBHHLJS-LOIXOFCESA-N	-1	0	320.349	0.606	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1	ZINC001588916272	984559559	/nfs/dbraw/zinc/55/95/59/984559559.db2.gz	CFYIZJZEPHKUNK-STQMWFEESA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001588916850	984564040	/nfs/dbraw/zinc/56/40/40/984564040.db2.gz	HLJVTXDIYRGZRF-BDAKNGLRSA-N	-1	0	301.324	0.120	20	30		DCEDRM
CC#CCN(C)c1nnnn1Cc1ccc(Cl)c(C(=O)[O-])n1	ZINC001588931041	984600494	/nfs/dbraw/zinc/60/04/94/984600494.db2.gz	JTAFXBBENWLEEG-UHFFFAOYSA-N	-1	0	320.740	0.928	20	30		DCEDRM
CC#CCN1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)C1	ZINC001588931066	984601182	/nfs/dbraw/zinc/60/11/82/984601182.db2.gz	KGYZEBDYEXMXNX-UONOGXRCSA-N	-1	0	320.389	0.424	20	30		DCEDRM
CC#CCN1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)C1	ZINC001588931063	984601283	/nfs/dbraw/zinc/60/12/83/984601283.db2.gz	KGYZEBDYEXMXNX-KGLIPLIRSA-N	-1	0	320.389	0.424	20	30		DCEDRM
CC#CCn1nnnc1N1CCC(c2cc(C(=O)[O-])on2)CC1	ZINC001588931762	984603466	/nfs/dbraw/zinc/60/34/66/984603466.db2.gz	AIUHUEAZQSGEDC-UHFFFAOYSA-N	-1	0	316.321	0.767	20	30		DCEDRM
CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@@H]1c1cn(C2CCC2)nn1	ZINC001589027891	985050396	/nfs/dbraw/zinc/05/03/96/985050396.db2.gz	YACATVCQFWAGPN-SNVBAGLBSA-N	-1	0	321.362	0.450	20	30		DCEDRM
C[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599928055	985243583	/nfs/dbraw/zinc/24/35/83/985243583.db2.gz	ROASWRAUYOXYNM-GWCFXTLKSA-N	-1	0	303.318	0.671	20	30		DCEDRM
CC(=O)N1c2ccccc2C[C@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001589099295	985306340	/nfs/dbraw/zinc/30/63/40/985306340.db2.gz	WLFLKVXOPOEIBL-AWEZNQCLSA-N	-1	0	315.329	0.791	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCC2(CNC(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC001384661443	985723480	/nfs/dbraw/zinc/72/34/80/985723480.db2.gz	JGRWDKLSOGMXNF-SECBINFHSA-N	-1	0	319.365	0.600	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1(CC#N)CC1	ZINC001596884892	985778815	/nfs/dbraw/zinc/77/88/15/985778815.db2.gz	UHYFNTYCRYBZAC-JTQLQIEISA-N	-1	0	304.368	0.432	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@](C)(CNc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001589329016	986160183	/nfs/dbraw/zinc/16/01/83/986160183.db2.gz	HNOWYNKIALVZRY-PSLIRLAXSA-N	-1	0	317.349	0.453	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCC1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001589329796	986167185	/nfs/dbraw/zinc/16/71/85/986167185.db2.gz	SNZAOIGAWHLTLY-JTQLQIEISA-N	-1	0	317.349	0.667	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F	ZINC001589330536	986174547	/nfs/dbraw/zinc/17/45/47/986174547.db2.gz	JCYCZNGDSJZZSJ-LURJTMIESA-N	-1	0	311.244	0.877	20	30		DCEDRM
C[C@H](C(=O)N(CC#N)CCC(=O)[O-])N1CSCCSC1	ZINC001589341952	986259698	/nfs/dbraw/zinc/25/96/98/986259698.db2.gz	RJORJUJLSIVZDD-SNVBAGLBSA-N	-1	0	317.436	0.899	20	30		DCEDRM
C[C@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)n1cnc(C#N)n1	ZINC001589445612	986813654	/nfs/dbraw/zinc/81/36/54/986813654.db2.gz	TWNPLCMGMJYSLK-SECBINFHSA-N	-1	0	315.289	0.813	20	30		DCEDRM
CC(C)(C#N)CNC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001589554963	987305111	/nfs/dbraw/zinc/30/51/11/987305111.db2.gz	YQUPNCKSTVUVLJ-UHFFFAOYSA-N	-1	0	320.353	0.873	20	30		DCEDRM
CC(C)(C(=O)[O-])n1cc(NC(=O)N2CCO[C@@H](C#N)C2)cn1	ZINC001589672852	987677697	/nfs/dbraw/zinc/67/76/97/987677697.db2.gz	QTBXZECQANTNBT-JTQLQIEISA-N	-1	0	307.310	0.459	20	30		DCEDRM
CC(C)(C)C#CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001589684976	987724616	/nfs/dbraw/zinc/72/46/16/987724616.db2.gz	SLRIFCAZVKVLKU-SVPLCASGSA-N	-1	0	318.373	0.330	20	30		DCEDRM
CSC[C@](C)(C#N)NC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001599790184	987993963	/nfs/dbraw/zinc/99/39/63/987993963.db2.gz	UEJLXSGOSGBVAO-ZDUSSCGKSA-N	-1	0	309.347	0.308	20	30		DCEDRM
C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1c[nH]c(C#N)c1	ZINC001599836139	988745683	/nfs/dbraw/zinc/74/56/83/988745683.db2.gz	AUKCSZOUEDLVMB-QMMMGPOBSA-N	-1	0	314.305	0.027	20	30		DCEDRM
CCc1nn(CCn2cc(C(=O)[O-])nn2)c(=O)c(C#N)c1CC	ZINC001597723841	989013070	/nfs/dbraw/zinc/01/30/70/989013070.db2.gz	VGBBCEACQCJXPT-UHFFFAOYSA-N	-1	0	316.321	0.230	20	30		DCEDRM
C[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001599871683	989359662	/nfs/dbraw/zinc/35/96/62/989359662.db2.gz	KKMOBBHABPEFMT-SECBINFHSA-N	-1	0	310.331	0.666	20	30		DCEDRM
CC(C)C#CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001590927155	990930563	/nfs/dbraw/zinc/93/05/63/990930563.db2.gz	TXIJCNYIICJACZ-CHWSQXEVSA-N	-1	0	306.362	0.427	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1	ZINC001590948955	991003048	/nfs/dbraw/zinc/00/30/48/991003048.db2.gz	HLEIEKAIDQGATQ-XQQFMLRXSA-N	-1	0	309.366	0.311	20	30		DCEDRM
CN(CC(C)(C)CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)C#CC1CC1	ZINC001598424335	991772609	/nfs/dbraw/zinc/77/26/09/991772609.db2.gz	ZMMMFUIZQNGEMT-STQMWFEESA-N	-1	0	320.389	0.721	20	30		DCEDRM
CS(=O)(=O)c1cc(C(=O)N(CC#N)CC(=O)[O-])ccc1F	ZINC001599763324	992151815	/nfs/dbraw/zinc/15/18/15/992151815.db2.gz	CHSOWULXKFCEGX-UHFFFAOYSA-N	-1	0	314.294	0.280	20	30		DCEDRM
CN(CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)C#CC(C)(C)C	ZINC001598485952	992206880	/nfs/dbraw/zinc/20/68/80/992206880.db2.gz	HWGJZDNPLIFQHE-VXGBXAGGSA-N	-1	0	308.378	0.673	20	30		DCEDRM
CS(=O)(=O)c1nccn1Cc1cccc(C(=O)[O-])c1C#N	ZINC001599775067	992291792	/nfs/dbraw/zinc/29/17/92/992291792.db2.gz	GJDCPLICATXJND-UHFFFAOYSA-N	-1	0	305.315	0.905	20	30		DCEDRM
C[S@](=O)C1(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	ZINC001599776135	992304109	/nfs/dbraw/zinc/30/41/09/992304109.db2.gz	WEWRTBNYSVLSLH-NRFANRHFSA-N	-1	0	313.379	0.297	20	30		DCEDRM
CC(C)N(CCCNC(=O)C#CC1CC1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001591591433	992808480	/nfs/dbraw/zinc/80/84/80/992808480.db2.gz	VPKYQHBCXXDRQA-ZIAGYGMSSA-N	-1	0	320.389	0.864	20	30		DCEDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)Cc2ccccc2CC#N)CC1=O	ZINC001598565046	993133849	/nfs/dbraw/zinc/13/38/49/993133849.db2.gz	PJZBSYPABKEUPP-ZDUSSCGKSA-N	-1	0	315.329	0.049	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccccc1	ZINC001400076469	994136183	/nfs/dbraw/zinc/13/61/83/994136183.db2.gz	BHMLGMGZMXPMED-CMPLNLGQSA-N	-1	0	314.349	0.617	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCO[C@H](C#N)C1	ZINC001598712276	995361662	/nfs/dbraw/zinc/36/16/62/995361662.db2.gz	KOBJQHMYFZMBMA-CHWSQXEVSA-N	-1	0	304.302	0.823	20	30		DCEDRM
C[C@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)NCC(=O)[O-]	ZINC001593486273	995451345	/nfs/dbraw/zinc/45/13/45/995451345.db2.gz	YBZYFGFVUWMPEF-UWVGGRQHSA-N	-1	0	320.301	0.458	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)ccc1Cl	ZINC001464884862	1015961952	/nfs/dbraw/zinc/96/19/52/1015961952.db2.gz	PUBJAAIKGQOBRP-LLVKDONJSA-N	-1	0	318.724	0.938	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(C#N)n2C)C1	ZINC001598768955	995864855	/nfs/dbraw/zinc/86/48/55/995864855.db2.gz	COYJXASCFOLIJA-BXKDBHETSA-N	-1	0	319.317	0.375	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)cc2F)C[C@@H]1C(=O)[O-]	ZINC001598820326	996319287	/nfs/dbraw/zinc/31/92/87/996319287.db2.gz	WJIYRIADMKIXDR-QWRGUYRKSA-N	-1	0	320.276	0.643	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])C1	ZINC001593739619	996353690	/nfs/dbraw/zinc/35/36/90/996353690.db2.gz	JBZSZHMRBDJCJB-NHYWBVRUSA-N	-1	0	307.350	0.604	20	30		DCEDRM
C[C@]1(C#N)CN(C(=O)NCc2ncc(C(=O)[O-])s2)CCO1	ZINC001593743522	996369239	/nfs/dbraw/zinc/36/92/39/996369239.db2.gz	RQTQXKKLLOSHJM-LBPRGKRZSA-N	-1	0	310.335	0.665	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2cc(C#N)cc(Cl)n2)C[C@H]1C(=O)[O-]	ZINC001598827287	996396639	/nfs/dbraw/zinc/39/66/39/996396639.db2.gz	LXZQVCMXGAGCHR-RKDXNWHRSA-N	-1	0	309.709	0.917	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(C)c(C#N)cn1	ZINC001599190307	997110114	/nfs/dbraw/zinc/11/01/14/997110114.db2.gz	LEBUCDGMIJXYNV-HNNXBMFYSA-N	-1	0	303.318	0.968	20	30		DCEDRM
CON=CC(=O)N(CC(=O)[O-])Cc1cc(OC)cc(OC)c1	ZINC001599321046	997581328	/nfs/dbraw/zinc/58/13/28/997581328.db2.gz	ZAVMRWKDFGOLGS-UHFFFAOYSA-N	-1	0	310.306	0.749	20	30		DCEDRM
C[C@]1(CS(=O)(=O)N(CC#N)CC(=O)[O-])CC1(Cl)Cl	ZINC001594036177	997623799	/nfs/dbraw/zinc/62/37/99/997623799.db2.gz	DNNCBPQPGBCEPP-MRVPVSSYSA-N	-1	0	315.178	0.810	20	30		DCEDRM
O=C(CSc1n[nH]c(=O)[n-]1)NCc1ccc(C(=O)NO)cc1	ZINC001467528397	1016178809	/nfs/dbraw/zinc/17/88/09/1016178809.db2.gz	WNYWZPAFEMJXKT-UHFFFAOYSA-N	-1	0	323.334	0.038	20	30		DCEDRM
COCC#CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1	ZINC001599139735	998106505	/nfs/dbraw/zinc/10/65/05/998106505.db2.gz	XWYNFOIKVXDYFX-LBPRGKRZSA-N	-1	0	321.329	0.986	20	30		DCEDRM
COc1ccc(CN2[C@@H](C(=O)[O-])CCS2(=O)=O)cc1C#N	ZINC001599559527	998163514	/nfs/dbraw/zinc/16/35/14/998163514.db2.gz	FWPYBGZJWQPOJX-LLVKDONJSA-N	-1	0	310.331	0.556	20	30		DCEDRM
COCC(=O)NCCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001599143129	998166666	/nfs/dbraw/zinc/16/66/66/998166666.db2.gz	NDIQFMXQOPEWHQ-CQSZACIVSA-N	-1	0	320.301	0.380	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1c1ccc(S(N)(=O)=O)cc1C#N	ZINC001594170771	998655835	/nfs/dbraw/zinc/65/58/35/998655835.db2.gz	KNWZRKMPEVDNRE-KWQFWETISA-N	-1	0	309.347	0.505	20	30		DCEDRM
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C#N	ZINC001599018400	998957956	/nfs/dbraw/zinc/95/79/56/998957956.db2.gz	ICADRNMLORMIOF-YFKPBYRVSA-N	-1	0	318.332	0.423	20	30		DCEDRM
Cc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cc1O	ZINC001418528364	1000316073	/nfs/dbraw/zinc/31/60/73/1000316073.db2.gz	CYQXFAURJHGBPV-UHFFFAOYSA-N	-1	0	314.301	0.265	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](O)c1cncs1	ZINC001419580322	1001154064	/nfs/dbraw/zinc/15/40/64/1001154064.db2.gz	LNHAYBAGZJDSRN-SECBINFHSA-N	-1	0	304.331	0.887	20	30		DCEDRM
Cc1ccc([C@H](O)[C@H](C)Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001421164550	1003397927	/nfs/dbraw/zinc/39/79/27/1003397927.db2.gz	BNJWPNGORKZWSQ-GXFFZTMASA-N	-1	0	314.345	0.788	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1CCS(=O)(=O)C1	ZINC001417606255	1005849977	/nfs/dbraw/zinc/84/99/77/1005849977.db2.gz	FDICLRMNDLUSBN-SECBINFHSA-N	-1	0	309.347	0.132	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1CCS(=O)(=O)C1	ZINC001417606256	1005850149	/nfs/dbraw/zinc/85/01/49/1005850149.db2.gz	FDICLRMNDLUSBN-VIFPVBQESA-N	-1	0	309.347	0.132	20	30		DCEDRM
CCC[C@@H]1C(=O)NCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417703914	1005871639	/nfs/dbraw/zinc/87/16/39/1005871639.db2.gz	BDFFVHYUOMLXSR-LLVKDONJSA-N	-1	0	302.334	0.708	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)C1N=NC(=O)N1C	ZINC001452564187	1006916275	/nfs/dbraw/zinc/91/62/75/1006916275.db2.gz	UZKGYNMFCGTDIW-ZETCQYMHSA-N	-1	0	302.294	0.292	20	30		DCEDRM
C[C@H]1SCC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001452852846	1007115154	/nfs/dbraw/zinc/11/51/54/1007115154.db2.gz	IPJKJQLKADJLIU-PSASIEDQSA-N	-1	0	308.363	0.221	20	30		DCEDRM
Cc1nc(C)c(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001453842906	1008754067	/nfs/dbraw/zinc/75/40/67/1008754067.db2.gz	NDDSILBHRRUMBK-UHFFFAOYSA-N	-1	0	319.346	0.324	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c(=O)[n-]c1=O	ZINC001453844034	1008755392	/nfs/dbraw/zinc/75/53/92/1008755392.db2.gz	QPDPIAFNJAHDDG-JLLWLGSASA-N	-1	0	302.334	0.373	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCc3ccncc32)c(=O)[n-]c1=O	ZINC001433877399	1009295712	/nfs/dbraw/zinc/29/57/12/1009295712.db2.gz	XZCZZARBOYIFQY-UHFFFAOYSA-N	-1	0	311.301	0.195	20	30		DCEDRM
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001433880408	1009298049	/nfs/dbraw/zinc/29/80/49/1009298049.db2.gz	OVUYOPOREDEERD-MNOVXSKESA-N	-1	0	302.334	0.612	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC[C@@H]2CCSC2)c(=O)[n-]c1=O	ZINC001454777414	1009312482	/nfs/dbraw/zinc/31/24/82/1009312482.db2.gz	TYSVCQRXKLMIHZ-SECBINFHSA-N	-1	0	308.363	0.080	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](CO)[C@H]1CCOC1	ZINC001433941121	1009378029	/nfs/dbraw/zinc/37/80/29/1009378029.db2.gz	BYQWOKZUHXPFEA-JQWIXIFHSA-N	-1	0	305.334	0.342	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](C(=O)N(C)C)C1	ZINC001434085688	1009542113	/nfs/dbraw/zinc/54/21/13/1009542113.db2.gz	AFKOZTCRLGARKU-SNVBAGLBSA-N	-1	0	302.334	0.518	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@@H](OCC)C1	ZINC001520448822	1017278074	/nfs/dbraw/zinc/27/80/74/1017278074.db2.gz	XIDNZAHBYZJTHW-LLVKDONJSA-N	-1	0	318.381	0.693	20	30		DCEDRM
COC(=O)[C@](C)(CCF)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001434191055	1009647569	/nfs/dbraw/zinc/64/75/69/1009647569.db2.gz	RETDQAPWAIAAKZ-AWEZNQCLSA-N	-1	0	309.297	0.988	20	30		DCEDRM
CO[C@@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)[C@@](C)(CO)C1	ZINC001434283252	1009724662	/nfs/dbraw/zinc/72/46/62/1009724662.db2.gz	NLUYWLYOEUWMNK-XHDPSFHLSA-N	-1	0	305.334	0.579	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCCC[C@@H]1CNC(N)=O	ZINC001443040203	1010080854	/nfs/dbraw/zinc/08/08/54/1010080854.db2.gz	CRGUJOANQBUEKG-LLVKDONJSA-N	-1	0	317.349	0.630	20	30		DCEDRM
CSCc1n[nH]c(CNS(=O)(=O)c2cccnc2C#N)n1	ZINC001434623178	1010141915	/nfs/dbraw/zinc/14/19/15/1010141915.db2.gz	JJSRWTWWKFAILB-UHFFFAOYSA-N	-1	0	324.391	0.413	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)c1	ZINC001444759363	1011162780	/nfs/dbraw/zinc/16/27/80/1011162780.db2.gz	XBYMJGZXPDKIJX-UHFFFAOYSA-N	-1	0	319.296	0.797	20	30		DCEDRM
C=CCOCC(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001535210733	1011859787	/nfs/dbraw/zinc/85/97/87/1011859787.db2.gz	LZHIJSDSJHROEI-UHFFFAOYSA-N	-1	0	308.338	0.005	20	30		DCEDRM
COc1cccc(OC)c1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001458480424	1012189525	/nfs/dbraw/zinc/18/95/25/1012189525.db2.gz	QIHDRQKMUGVSSQ-UHFFFAOYSA-N	-1	0	316.317	0.575	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001506276630	1017168797	/nfs/dbraw/zinc/16/87/97/1017168797.db2.gz	IAIGJJUZKWSPSG-JTQLQIEISA-N	-1	0	322.365	0.298	20	30		DCEDRM
C#CCCCC(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001510529790	1017689653	/nfs/dbraw/zinc/68/96/53/1017689653.db2.gz	VLFKVCJADZNKKZ-SNVBAGLBSA-N	-1	0	306.366	0.804	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)OCC	ZINC001494709569	1017972174	/nfs/dbraw/zinc/97/21/74/1017972174.db2.gz	DONSWDPOGWYJBY-NWDGAFQWSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001502124113	1019742856	/nfs/dbraw/zinc/74/28/56/1019742856.db2.gz	KTXWCNMQCWLNCW-RYUDHWBXSA-N	-1	0	321.381	0.019	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001493843939	1019752960	/nfs/dbraw/zinc/75/29/60/1019752960.db2.gz	ATWWATIRAIAHRT-NSHDSACASA-N	-1	0	304.350	0.558	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001663295855	1174284508	/nfs/dbraw/zinc/28/45/08/1174284508.db2.gz	BSVJZWRQSOJKQI-JQWIXIFHSA-N	-1	0	309.370	0.040	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001609105074	1170810973	/nfs/dbraw/zinc/81/09/73/1170810973.db2.gz	IBVYQLDEIFNXFZ-LLVKDONJSA-N	-1	0	315.322	0.577	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC001609257445	1170899990	/nfs/dbraw/zinc/89/99/90/1170899990.db2.gz	DZVWGUWLGYIAFB-VHSXEESVSA-N	-1	0	305.352	0.231	20	30		DCEDRM
CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cccc(C#N)c2)C1=O	ZINC000298683679	529415411	/nfs/dbraw/zinc/41/54/11/529415411.db2.gz	XRFIRSJZLFRWLN-ZDUSSCGKSA-N	-1	0	322.346	0.472	20	30		DCEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)NCCOCC(=O)[O-])c1	ZINC000160701674	291239249	/nfs/dbraw/zinc/23/92/49/291239249.db2.gz	PZIYOKLLLJKVDV-UHFFFAOYSA-N	-1	0	318.738	0.591	20	30		DCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000267601519	238232246	/nfs/dbraw/zinc/23/22/46/238232246.db2.gz	AUOXGQPYKZRXFX-LURJTMIESA-N	-1	0	309.307	0.016	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCC[C@](COC)(C(=O)[O-])C2)nn1	ZINC000425262579	240325956	/nfs/dbraw/zinc/32/59/56/240325956.db2.gz	YRIDNAVDRDEQCY-HNNXBMFYSA-N	-1	0	322.365	0.808	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000275360103	212289959	/nfs/dbraw/zinc/28/99/59/212289959.db2.gz	UVKNRXUWCCFCLW-UHFFFAOYSA-N	-1	0	303.292	0.328	20	30		DCEDRM
Cc1nn(C)c(Cl)c1/C=C/C(=O)[N-]S(=O)(=O)CCC#N	ZINC000493811339	241161843	/nfs/dbraw/zinc/16/18/43/241161843.db2.gz	LJUNEXVVPMVXTJ-SNAWJCMRSA-N	-1	0	316.770	0.755	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000568001792	291396821	/nfs/dbraw/zinc/39/68/21/291396821.db2.gz	IEYJSVNMOPKEJM-LLVKDONJSA-N	-1	0	316.310	0.216	20	30		DCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C(=O)C1	ZINC000048491470	395816552	/nfs/dbraw/zinc/81/65/52/395816552.db2.gz	BWMYXNOWNWTNKF-VIFPVBQESA-N	-1	0	315.351	0.805	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000126094477	395909316	/nfs/dbraw/zinc/90/93/16/395909316.db2.gz	NZRIZHLHVASTDW-SNVBAGLBSA-N	-1	0	318.738	0.590	20	30		DCEDRM
CNC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)cn1C	ZINC000273494979	395925160	/nfs/dbraw/zinc/92/51/60/395925160.db2.gz	UCRNULWGCLLYPQ-UHFFFAOYSA-N	-1	0	322.350	0.089	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000262145260	396104454	/nfs/dbraw/zinc/10/44/54/396104454.db2.gz	IZZKPUIUQVZFDB-LLVKDONJSA-N	-1	0	304.302	0.879	20	30		DCEDRM
COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C#N)o1	ZINC000287557487	396408217	/nfs/dbraw/zinc/40/82/17/396408217.db2.gz	OJAWOYIUINSUEO-QMMMGPOBSA-N	-1	0	302.308	0.261	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000290737479	396471165	/nfs/dbraw/zinc/47/11/65/396471165.db2.gz	WTHBYKBAAVZJGK-NSHDSACASA-N	-1	0	311.319	0.054	20	30		DCEDRM
C[C@@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(=O)[O-]	ZINC000594528089	396483886	/nfs/dbraw/zinc/48/38/86/396483886.db2.gz	JUOXJTRDPXQODL-CMPLNLGQSA-N	-1	0	318.333	0.837	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)N[C@H](CCC#N)c1ccccc1)C(=O)[O-]	ZINC000594529476	396484620	/nfs/dbraw/zinc/48/46/20/396484620.db2.gz	JMGSFOQUVFOWNX-WCQYABFASA-N	-1	0	317.345	0.985	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)N(C)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000594543864	396485762	/nfs/dbraw/zinc/48/57/62/396485762.db2.gz	ISEJKLOAWQCWPG-SNVBAGLBSA-N	-1	0	303.318	0.354	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H](CCF)C(=O)[O-])c1	ZINC000594573243	396488105	/nfs/dbraw/zinc/48/81/05/396488105.db2.gz	LXAOVQPJOJKVHE-NSHDSACASA-N	-1	0	318.301	0.930	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)nc1	ZINC000595238971	396568426	/nfs/dbraw/zinc/56/84/26/396568426.db2.gz	JQSQQSHVUSDNFT-UHFFFAOYSA-N	-1	0	302.290	0.263	20	30		DCEDRM
CC(C)CO[C@@H](C)c1noc(Cn2c(=O)[n-]cc(C#N)c2=O)n1	ZINC000563128016	396705617	/nfs/dbraw/zinc/70/56/17/396705617.db2.gz	ZTZCITIRCMADEM-VIFPVBQESA-N	-1	0	319.321	0.573	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2COCCC2=O)c(F)c1	ZINC000625493328	396896071	/nfs/dbraw/zinc/89/60/71/396896071.db2.gz	RNPZKGYAFPKAEE-JTQLQIEISA-N	-1	0	316.285	0.473	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@]1(C)COc2ccccc2O1)C(=O)[O-]	ZINC000630185633	396955973	/nfs/dbraw/zinc/95/59/73/396955973.db2.gz	FCQRQSDSEISJDO-BDJLRTHQSA-N	-1	0	321.329	0.989	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CNC(=O)COc1ccccc1)C(=O)[O-]	ZINC000630320332	396984675	/nfs/dbraw/zinc/98/46/75/396984675.db2.gz	TXJYXYFUNPPYFZ-CYBMUJFWSA-N	-1	0	320.345	0.717	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)CCCCC1	ZINC000619708726	397179041	/nfs/dbraw/zinc/17/90/41/397179041.db2.gz	ARNNOFZPVOEUHS-ZDUSSCGKSA-N	-1	0	316.379	0.624	20	30		DCEDRM
C[C@@H](C1CC1)N(C(=O)Cn1c(=O)[n-]cc(C#N)c1=O)C1CC1	ZINC000592354936	397159213	/nfs/dbraw/zinc/15/92/13/397159213.db2.gz	AOBGAXFSUCJWTQ-VIFPVBQESA-N	-1	0	302.334	0.198	20	30		DCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)nn1	ZINC000619623327	397163186	/nfs/dbraw/zinc/16/31/86/397163186.db2.gz	MOQHAWWBSSIXIQ-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C[C@@H](CSCCNS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000592447516	397180924	/nfs/dbraw/zinc/18/09/24/397180924.db2.gz	DDOFKVLFIJTYOC-VIFPVBQESA-N	-1	0	309.413	0.120	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CC[C@](O)(CC#N)C2)c1	ZINC000592852638	397266188	/nfs/dbraw/zinc/26/61/88/397266188.db2.gz	DLSQDNJVLWPHMH-IVZQSRNASA-N	-1	0	322.386	0.680	20	30		DCEDRM
N#Cc1cccc(-c2cc(=O)n([C@H]3CCS(=O)(=O)C3)[n-]2)c1	ZINC000601931991	397271147	/nfs/dbraw/zinc/27/11/47/397271147.db2.gz	KQVWQXXDGCFZMN-LBPRGKRZSA-N	-1	0	303.343	0.682	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@H]2c2ccccc2)c(=O)[n-]c1=O	ZINC000602061904	397292334	/nfs/dbraw/zinc/29/23/34/397292334.db2.gz	SRPPKCRFDZLTPO-ZDUSSCGKSA-N	-1	0	310.313	0.794	20	30		DCEDRM
CC(C)C[C@H]1CCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602084782	397296125	/nfs/dbraw/zinc/29/61/25/397296125.db2.gz	DMQCNXJNMWSURZ-GFCCVEGCSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CCCN(CC(F)(F)F)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602085454	397297762	/nfs/dbraw/zinc/29/77/62/397297762.db2.gz	NFPZCQOVVOTQIV-UHFFFAOYSA-N	-1	0	318.255	0.621	20	30		DCEDRM
C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H](C)S1	ZINC000602107349	397303773	/nfs/dbraw/zinc/30/37/73/397303773.db2.gz	PBYWWFIEXFLVER-DTORHVGOSA-N	-1	0	308.363	0.173	20	30		DCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCSC1	ZINC000602124524	397309278	/nfs/dbraw/zinc/30/92/78/397309278.db2.gz	GNVXKCOMRVQKQI-SNVBAGLBSA-N	-1	0	308.363	0.175	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-]	ZINC000593271541	397346674	/nfs/dbraw/zinc/34/66/74/397346674.db2.gz	IHSCCAOHNYAQGH-ZJUUUORDSA-N	-1	0	319.383	0.029	20	30		DCEDRM
N#Cc1cc(N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)ccn1	ZINC000593328651	397352197	/nfs/dbraw/zinc/35/21/97/397352197.db2.gz	RYVQUDYHEDQYTI-LLVKDONJSA-N	-1	0	314.345	0.855	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC(Cc3ccccc3)C2)c(=O)[n-]c1=O	ZINC000602143527	397320013	/nfs/dbraw/zinc/32/00/13/397320013.db2.gz	LTXAMGWETSJQQN-UHFFFAOYSA-N	-1	0	324.340	0.522	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCSC[C@H]2C2CC2)c(=O)[n-]c1=O	ZINC000602161343	397329076	/nfs/dbraw/zinc/32/90/76/397329076.db2.gz	SXUHVLKZPXKSKJ-NSHDSACASA-N	-1	0	320.374	0.175	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC([C@H](C)C(=O)[O-])C1	ZINC000578446488	397437278	/nfs/dbraw/zinc/43/72/78/397437278.db2.gz	SPATXYVPAGHHRP-UWVGGRQHSA-N	-1	0	303.384	0.365	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC([C@@H](C)C(=O)[O-])C1	ZINC000578446487	397437796	/nfs/dbraw/zinc/43/77/96/397437796.db2.gz	SPATXYVPAGHHRP-NXEZZACHSA-N	-1	0	303.384	0.365	20	30		DCEDRM
C[C@@H](NS(=O)(=O)N(C)CCC#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000593945363	397485120	/nfs/dbraw/zinc/48/51/20/397485120.db2.gz	RUZHXMLTCHWJDD-OUAUKWLOSA-N	-1	0	317.411	0.802	20	30		DCEDRM
COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C(C)C	ZINC000495670775	397551696	/nfs/dbraw/zinc/55/16/96/397551696.db2.gz	LFCHSGCQBDXAJI-VIFPVBQESA-N	-1	0	317.367	0.117	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000496171126	397577089	/nfs/dbraw/zinc/57/70/89/397577089.db2.gz	QUOCWEMIGQHELT-AOOOYVTPSA-N	-1	0	318.395	0.922	20	30		DCEDRM
C=CCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1	ZINC000579693225	397588606	/nfs/dbraw/zinc/58/86/06/397588606.db2.gz	CGAVXTQYBJMHHI-NSHDSACASA-N	-1	0	324.358	0.595	20	30		DCEDRM
COCCN(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccccc1C#N	ZINC000262009040	158764047	/nfs/dbraw/zinc/76/40/47/158764047.db2.gz	WDQXUYBRQSGOOY-LLVKDONJSA-N	-1	0	306.318	0.885	20	30		DCEDRM
N#Cc1ccc(O[C@H]2CCN(C(=O)NCCCC(=O)[O-])C2)nc1	ZINC000263461016	158881256	/nfs/dbraw/zinc/88/12/56/158881256.db2.gz	ISWIBYWDDRAFDA-LBPRGKRZSA-N	-1	0	318.333	0.981	20	30		DCEDRM
CN1CC[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000342610399	415228256	/nfs/dbraw/zinc/22/82/56/415228256.db2.gz	WMOBKXQMYGCQJT-VIFPVBQESA-N	-1	0	301.318	0.819	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccn2)cn1	ZINC000352875086	415355676	/nfs/dbraw/zinc/35/56/76/415355676.db2.gz	GZUNGMIUAPDGOS-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000290748696	415822259	/nfs/dbraw/zinc/82/22/59/415822259.db2.gz	XYDIBHMXEQOULE-ZDUSSCGKSA-N	-1	0	309.347	0.829	20	30		DCEDRM
Cc1cc(C(=O)N(C)C[C@@H](C)C#N)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000344207998	415866900	/nfs/dbraw/zinc/86/69/00/415866900.db2.gz	BBTTXKQRVSKKFV-ZETCQYMHSA-N	-1	0	301.306	0.976	20	30		DCEDRM
CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000125709859	415868369	/nfs/dbraw/zinc/86/83/69/415868369.db2.gz	RUCYCGACOGTFDM-SSDOTTSWSA-N	-1	0	301.755	0.624	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C(N)=O	ZINC000180379126	416196159	/nfs/dbraw/zinc/19/61/59/416196159.db2.gz	ABQFHGFHEZSCMJ-UHFFFAOYSA-N	-1	0	305.319	0.490	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2ccnc(C#N)c2)C1=O	ZINC000416445872	416370048	/nfs/dbraw/zinc/37/00/48/416370048.db2.gz	NDEKKOHIBIYYOJ-OLZOCXBDSA-N	-1	0	302.334	0.497	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000422661344	416445981	/nfs/dbraw/zinc/44/59/81/416445981.db2.gz	LPHJAPFNYGUYTG-LLVKDONJSA-N	-1	0	305.265	0.711	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1	ZINC000491440378	416599153	/nfs/dbraw/zinc/59/91/53/416599153.db2.gz	OYOFQJURSNQLLD-KGLIPLIRSA-N	-1	0	314.341	0.405	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	ZINC000491741004	416622387	/nfs/dbraw/zinc/62/23/87/416622387.db2.gz	YXYLAKVTPSXYAF-UHFFFAOYSA-N	-1	0	323.393	0.658	20	30		DCEDRM
CC(=O)c1ccc(C#N)cc1N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424461795	416648776	/nfs/dbraw/zinc/64/87/76/416648776.db2.gz	AMKFTPSGXLWQIF-ZDUSSCGKSA-N	-1	0	322.342	0.449	20	30		DCEDRM
C=CCNC(=O)c1ccc(NCCCc2n[nH]c(=O)[n-]2)nc1	ZINC000427366988	416815003	/nfs/dbraw/zinc/81/50/03/416815003.db2.gz	QEWFASRZENHTRH-UHFFFAOYSA-N	-1	0	302.338	0.866	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000563572361	416884579	/nfs/dbraw/zinc/88/45/79/416884579.db2.gz	UGHXPJHTUOEEST-GHMZBOCLSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000564983770	416901376	/nfs/dbraw/zinc/90/13/76/416901376.db2.gz	FGRDGAJIVSFREX-MXWKQRLJSA-N	-1	0	303.384	0.365	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000643166771	417156322	/nfs/dbraw/zinc/15/63/22/417156322.db2.gz	DANHKGMUWYYWRG-GFCCVEGCSA-N	-1	0	312.366	0.409	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)C(=O)OC	ZINC000451509973	417354640	/nfs/dbraw/zinc/35/46/40/417354640.db2.gz	XOUSTCYIVRBMDG-LLVKDONJSA-N	-1	0	316.379	0.344	20	30		DCEDRM
CSCC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000574210509	417481006	/nfs/dbraw/zinc/48/10/06/417481006.db2.gz	LKIMVGCUMIXAMT-IUCAKERBSA-N	-1	0	309.413	0.119	20	30		DCEDRM
CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000576231456	417592979	/nfs/dbraw/zinc/59/29/79/417592979.db2.gz	IAEKRZKWVHUQOG-ZYHUDNBSSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000635516973	417686613	/nfs/dbraw/zinc/68/66/13/417686613.db2.gz	RWXUHROINSVNDO-XUJVJEKNSA-N	-1	0	312.366	0.853	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)N1CCCCCC1)C(=O)[O-]	ZINC000646046956	417862864	/nfs/dbraw/zinc/86/28/64/417862864.db2.gz	OPNZKXIOBXFJSX-LLVKDONJSA-N	-1	0	306.384	0.353	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000655997712	418313469	/nfs/dbraw/zinc/31/34/69/418313469.db2.gz	JIPSYTMUAVVFKE-TUAOUCFPSA-N	-1	0	312.366	0.167	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cccc2c1OCCO2	ZINC000358511252	261676416	/nfs/dbraw/zinc/67/64/16/261676416.db2.gz	HARLZNOSFLKGEL-UHFFFAOYSA-N	-1	0	306.303	0.853	20	30		DCEDRM
Cn1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)nn1	ZINC000359558470	267807322	/nfs/dbraw/zinc/80/73/22/267807322.db2.gz	FXOKRMHXOMFWAJ-UHFFFAOYSA-N	-1	0	308.279	0.396	20	30		DCEDRM
N#Cc1cc(Cl)ccc1N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424474379	268181473	/nfs/dbraw/zinc/18/14/73/268181473.db2.gz	RMEUNRYXIXAXGO-NSHDSACASA-N	-1	0	314.750	0.900	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)[C@@]34C[C@@H]3CCC4)C2)c(=O)[n-]c1=O	ZINC000530270962	268307167	/nfs/dbraw/zinc/30/71/67/268307167.db2.gz	BMWLAMNQYSBCOI-BONVTDFDSA-N	-1	0	300.318	0.394	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)NCCCc2ccccc2)c1=O	ZINC000515059303	272416375	/nfs/dbraw/zinc/41/63/75/272416375.db2.gz	IDFCFURHYCJQCR-UHFFFAOYSA-N	-1	0	312.329	0.157	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCOCC(=O)[O-])c(F)c1	ZINC000548593201	288158314	/nfs/dbraw/zinc/15/83/14/288158314.db2.gz	NNVOPBHDILRVOC-UHFFFAOYSA-N	-1	0	302.283	0.077	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000556260114	288373592	/nfs/dbraw/zinc/37/35/92/288373592.db2.gz	CKGAOBNCLUFMLJ-SNVBAGLBSA-N	-1	0	314.294	0.171	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCOC[C@H]2C#N)cc(C(=O)[O-])c1C	ZINC000273862833	301388646	/nfs/dbraw/zinc/38/86/46/301388646.db2.gz	ZKMPAMIHZGWVDP-LLVKDONJSA-N	-1	0	324.358	0.915	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000273828827	303163105	/nfs/dbraw/zinc/16/31/05/303163105.db2.gz	WDBVPEGYLMQTIS-MRVPVSSYSA-N	-1	0	302.333	0.359	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(C)(C)[C@@H]1C(=O)[O-]	ZINC000570805874	332819827	/nfs/dbraw/zinc/81/98/27/332819827.db2.gz	PWKUCQIEUILURO-ZJUUUORDSA-N	-1	0	303.384	0.650	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)CCCCC(=O)[O-]	ZINC000573854507	332284185	/nfs/dbraw/zinc/28/41/85/332284185.db2.gz	SRCWWJUZPDTQAC-MNOVXSKESA-N	-1	0	305.400	0.946	20	30		DCEDRM
C=CC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000519600088	335881381	/nfs/dbraw/zinc/88/13/81/335881381.db2.gz	OWVFWDYFCOMGAX-GFCCVEGCSA-N	-1	0	302.396	0.926	20	30		DCEDRM
Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H]1C#N	ZINC000583088042	337234655	/nfs/dbraw/zinc/23/46/55/337234655.db2.gz	RGUYJPMBPWSIGQ-QMMMGPOBSA-N	-1	0	316.360	0.668	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCOC(C)(C)C1)C(=O)[O-]	ZINC000514772777	337970613	/nfs/dbraw/zinc/97/06/13/337970613.db2.gz	JFIAKLPUPXFUQB-MNOVXSKESA-N	-1	0	300.355	0.899	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[C@H](C)CC(=O)[O-]	ZINC000515064139	337977928	/nfs/dbraw/zinc/97/79/28/337977928.db2.gz	JLWLSHUYNIRSIK-QWRGUYRKSA-N	-1	0	305.400	0.803	20	30		DCEDRM
COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cn1	ZINC000493470085	339926438	/nfs/dbraw/zinc/92/64/38/339926438.db2.gz	VGNNJCQCKHUBTM-NSCUHMNNSA-N	-1	0	322.346	0.248	20	30		DCEDRM
CC(C)(C)OC(=O)Nc1ccncc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000496691766	340010617	/nfs/dbraw/zinc/01/06/17/340010617.db2.gz	BFBGAVWVEZQGJI-UHFFFAOYSA-N	-1	0	320.309	0.735	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C	ZINC000496757827	340012188	/nfs/dbraw/zinc/01/21/88/340012188.db2.gz	WIFOHWJCJRAGGP-DTWKUNHWSA-N	-1	0	304.368	0.532	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCOC2=O)cc1	ZINC000496959365	340016999	/nfs/dbraw/zinc/01/69/99/340016999.db2.gz	DTGAOIBSRWLDJX-UHFFFAOYSA-N	-1	0	322.342	0.726	20	30		DCEDRM
C[C@H](C#N)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000547352170	341208135	/nfs/dbraw/zinc/20/81/35/341208135.db2.gz	FVNSYJKJOCAYMX-SECBINFHSA-N	-1	0	311.363	0.532	20	30		DCEDRM
Cc1nc(CNS(=O)(=O)N(C)CCC#N)ccc1C(=O)[O-]	ZINC000548544384	341265952	/nfs/dbraw/zinc/26/59/52/341265952.db2.gz	SCOXSISDANMHLB-UHFFFAOYSA-N	-1	0	312.351	0.268	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)cc1OC	ZINC000092464038	341448204	/nfs/dbraw/zinc/44/82/04/341448204.db2.gz	BDKNWKIPKMPRAV-UHFFFAOYSA-N	-1	0	315.347	0.965	20	30		DCEDRM
C#CCCN1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CC1	ZINC001602708224	1159784859	/nfs/dbraw/zinc/78/48/59/1159784859.db2.gz	JMBZLIZNYYSFJW-UHFFFAOYSA-N	-1	0	314.407	0.212	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(CC)C[C@@H](C)C#N	ZINC001610032159	1159832683	/nfs/dbraw/zinc/83/26/83/1159832683.db2.gz	AGVZMPFBQHEBSF-QWRGUYRKSA-N	-1	0	321.399	0.134	20	30		DCEDRM
C[C@@](O)(CNS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000160699188	525777141	/nfs/dbraw/zinc/77/71/41/525777141.db2.gz	UDBRCLQMKMEXFS-LLVKDONJSA-N	-1	0	318.738	0.326	20	30		DCEDRM
C#CCCS(=O)(=O)[N-][C@@H](CO)c1nc(-c2ccccc2)no1	ZINC000367450860	526750507	/nfs/dbraw/zinc/75/05/07/526750507.db2.gz	MUEYZDCASOIALN-LBPRGKRZSA-N	-1	0	321.358	0.713	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1n[nH]c2ccccc12)C(=O)[O-]	ZINC000262956924	526787422	/nfs/dbraw/zinc/78/74/22/526787422.db2.gz	IXPAVXSYRWGLIF-CYBMUJFWSA-N	-1	0	303.318	0.877	20	30		DCEDRM
C=CCC[C@H](NC(=O)CN1C(=O)COc2ccccc21)C(=O)[O-]	ZINC000262870760	527475279	/nfs/dbraw/zinc/47/52/79/527475279.db2.gz	JQAJEYLUSXMLDZ-NSHDSACASA-N	-1	0	318.329	0.948	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1	ZINC000372911292	527583201	/nfs/dbraw/zinc/58/32/01/527583201.db2.gz	VVVZVBCLHWRJDG-LBPRGKRZSA-N	-1	0	317.345	0.529	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1	ZINC000372911291	527583887	/nfs/dbraw/zinc/58/38/87/527583887.db2.gz	VVVZVBCLHWRJDG-GFCCVEGCSA-N	-1	0	317.345	0.529	20	30		DCEDRM
CCN(CC#N)S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC	ZINC000273730245	527891177	/nfs/dbraw/zinc/89/11/77/527891177.db2.gz	RQTXJBCAOHHAKQ-UHFFFAOYSA-N	-1	0	312.347	0.856	20	30		DCEDRM
Cc1[n-]n(CC(C)C)c(=O)c1C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000328981751	528145678	/nfs/dbraw/zinc/14/56/78/528145678.db2.gz	DTZTYMLWWYDMIK-MNOVXSKESA-N	-1	0	315.395	0.620	20	30		DCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)[O-]	ZINC000263550137	529257993	/nfs/dbraw/zinc/25/79/93/529257993.db2.gz	KDYZNCAZHOOSAX-DCAQKATOSA-N	-1	0	305.400	0.802	20	30		DCEDRM
CC(C)[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1CCCS1(=O)=O	ZINC000329101674	546043741	/nfs/dbraw/zinc/04/37/41/546043741.db2.gz	NDHZJRWHQIBZIU-SECBINFHSA-N	-1	0	317.371	0.027	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)CC1	ZINC000575445426	546299589	/nfs/dbraw/zinc/29/95/89/546299589.db2.gz	WJCKHOXRQHEMEK-GXFFZTMASA-N	-1	0	314.363	0.043	20	30		DCEDRM
C=CCCOCC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC000678979978	548019889	/nfs/dbraw/zinc/01/98/89/548019889.db2.gz	PRYXINXPSIZPSY-UHFFFAOYSA-N	-1	0	320.345	0.961	20	30		DCEDRM
C=CCN(C(=O)C1CC(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1	ZINC000682701045	548420648	/nfs/dbraw/zinc/42/06/48/548420648.db2.gz	BJGPYRMJQDGQOL-ILDUYXDCSA-N	-1	0	301.364	0.299	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@@H](CC(=O)[O-])C1	ZINC000819095623	597051796	/nfs/dbraw/zinc/05/17/96/597051796.db2.gz	DORVHLKIBHUNRB-JTQLQIEISA-N	-1	0	323.374	0.897	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1	ZINC000817685895	597517553	/nfs/dbraw/zinc/51/75/53/597517553.db2.gz	TVTKQMHHNDZLRS-VIFPVBQESA-N	-1	0	319.317	0.130	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](C(N)=O)c2ccccc21	ZINC000819811912	597603906	/nfs/dbraw/zinc/60/39/06/597603906.db2.gz	WYGXYJBDPIVRIO-ZBEGNZNMSA-N	-1	0	315.329	0.997	20	30		DCEDRM
CCc1nn(C)c(OC)c1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820498536	597607968	/nfs/dbraw/zinc/60/79/68/597607968.db2.gz	MWKZLUDEALHKJJ-CQSZACIVSA-N	-1	0	308.338	0.612	20	30		DCEDRM
Cc1nc([C@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2)no1	ZINC000821165525	597611113	/nfs/dbraw/zinc/61/11/13/597611113.db2.gz	RFURTMIUTBICEQ-NOZJJQNGSA-N	-1	0	308.294	0.283	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)C(=O)[O-]	ZINC000819874623	597611762	/nfs/dbraw/zinc/61/17/62/597611762.db2.gz	NOSBWHKQLNIRSV-DTWKUNHWSA-N	-1	0	305.290	0.505	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CCN(C(=O)C2CC2)CC1	ZINC000819822966	597631174	/nfs/dbraw/zinc/63/11/74/597631174.db2.gz	QTZRTFRHQMXZLV-HNNXBMFYSA-N	-1	0	307.350	0.508	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC000819841534	597637701	/nfs/dbraw/zinc/63/77/01/597637701.db2.gz	AGJHOQPPUAFKKW-AWEZNQCLSA-N	-1	0	301.306	0.486	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCCN1c1cccnn1	ZINC000819834859	597648117	/nfs/dbraw/zinc/64/81/17/597648117.db2.gz	POSZXKZPQJFPMK-XHDPSFHLSA-N	-1	0	317.349	0.566	20	30		DCEDRM
CC(=O)NCCN(C(=O)Cc1ccc(C#N)cc1)[C@@H](C)C(=O)[O-]	ZINC000819746086	597682902	/nfs/dbraw/zinc/68/29/02/597682902.db2.gz	WCNRUQRCYIPZCR-NSHDSACASA-N	-1	0	317.345	0.539	20	30		DCEDRM
N#Cc1c(F)cccc1N1CCN(CC(=O)NCC(=O)[O-])CC1	ZINC000821324350	597765203	/nfs/dbraw/zinc/76/52/03/597765203.db2.gz	BJTXOVXFEUVYQX-UHFFFAOYSA-N	-1	0	320.324	0.020	20	30		DCEDRM
COC[C@@H](C#N)OC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000820710579	597841773	/nfs/dbraw/zinc/84/17/73/597841773.db2.gz	PMZALJLPHCSAEY-YPMHNXCESA-N	-1	0	317.301	0.788	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)nn1CCC#N	ZINC000821009071	598094989	/nfs/dbraw/zinc/09/49/89/598094989.db2.gz	ULLOOTRRVKUUJS-LLVKDONJSA-N	-1	0	321.337	0.269	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-n2nccn2)nc1	ZINC000819849485	598223440	/nfs/dbraw/zinc/22/34/40/598223440.db2.gz	ZQQOHJFXDAFRDD-ZDUSSCGKSA-N	-1	0	300.278	0.605	20	30		DCEDRM
Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1-n1cnnn1	ZINC000821008801	598223559	/nfs/dbraw/zinc/22/35/59/598223559.db2.gz	MNWXDISAKNYQOH-AWEZNQCLSA-N	-1	0	314.305	0.914	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cc(=O)n2ccccc2n1	ZINC000819875501	598224435	/nfs/dbraw/zinc/22/44/35/598224435.db2.gz	XXIPWZXSFVRUPT-HNNXBMFYSA-N	-1	0	315.285	0.742	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1	ZINC000819824492	598228334	/nfs/dbraw/zinc/22/83/34/598228334.db2.gz	YMKCLPRYQUJNSW-GBIKHYSHSA-N	-1	0	316.379	0.463	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2	ZINC000819857196	598230686	/nfs/dbraw/zinc/23/06/86/598230686.db2.gz	UIJQQMCAXMKTJQ-CQSZACIVSA-N	-1	0	322.342	0.959	20	30		DCEDRM
C=CCNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)c2ccccc21	ZINC000735432835	598502262	/nfs/dbraw/zinc/50/22/62/598502262.db2.gz	WOJGGXKIBZYVGP-UHFFFAOYSA-N	-1	0	310.317	0.484	20	30		DCEDRM
N#CCN1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC000739086442	599779762	/nfs/dbraw/zinc/77/97/62/599779762.db2.gz	QUOCICZLYGOHEK-UHFFFAOYSA-N	-1	0	313.335	0.244	20	30		DCEDRM
N#CCN1CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1	ZINC000739085725	599797778	/nfs/dbraw/zinc/79/77/78/599797778.db2.gz	JVHLQJOHDCBHPX-UHFFFAOYSA-N	-1	0	323.374	0.356	20	30		DCEDRM
C#CCNC(=O)CN1CCN([C@H](C)c2ccc(C(=O)[O-])o2)CC1	ZINC000736076432	599964797	/nfs/dbraw/zinc/96/47/97/599964797.db2.gz	PAPHQDUCQGNCBR-GFCCVEGCSA-N	-1	0	319.361	0.406	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CCO1	ZINC000739065882	599998199	/nfs/dbraw/zinc/99/81/99/599998199.db2.gz	DIAACAAGJOBSIB-LBPRGKRZSA-N	-1	0	317.301	0.003	20	30		DCEDRM
N#Cc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nc1	ZINC000739122226	600092091	/nfs/dbraw/zinc/09/20/91/600092091.db2.gz	BTZPGTCFMDDMKF-CHWSQXEVSA-N	-1	0	314.345	0.759	20	30		DCEDRM
C#Cc1ccc(C(=O)OCC(=O)N[C@H](CC(C)C)C(=O)[O-])nc1	ZINC000736092766	600117994	/nfs/dbraw/zinc/11/79/94/600117994.db2.gz	JOTDBQDCDZMFDK-CYBMUJFWSA-N	-1	0	318.329	0.835	20	30		DCEDRM
C[C@H](CS(=O)(=O)CC(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000736614243	600194658	/nfs/dbraw/zinc/19/46/58/600194658.db2.gz	JFVRGQJAKYAWPF-SNVBAGLBSA-N	-1	0	324.358	0.310	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1	ZINC000736089416	600346454	/nfs/dbraw/zinc/34/64/54/600346454.db2.gz	KSLUFHJUFPXURB-SNVBAGLBSA-N	-1	0	304.302	0.474	20	30		DCEDRM
Cc1nn(C)c2nc(C)cc(C(=O)N(CC#N)CC(=O)[O-])c12	ZINC000738319286	600400478	/nfs/dbraw/zinc/40/04/78/600400478.db2.gz	HVVWKZHUNKJMFB-UHFFFAOYSA-N	-1	0	301.306	0.636	20	30		DCEDRM
C[C@@H]1Oc2c(cccc2C(=O)N(CC#N)CC(=O)[O-])NC1=O	ZINC000736834776	600400989	/nfs/dbraw/zinc/40/09/89/600400989.db2.gz	KBQVTPHAKMTZDM-QMMMGPOBSA-N	-1	0	303.274	0.456	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCc1nc(-c2ccco2)no1	ZINC000739077164	600405855	/nfs/dbraw/zinc/40/58/55/600405855.db2.gz	JMZPFITXYHTXPI-UHFFFAOYSA-N	-1	0	304.262	0.699	20	30		DCEDRM
CS(=O)(=O)Nc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000738164515	600406352	/nfs/dbraw/zinc/40/63/52/600406352.db2.gz	UDMUJDSYHRIGAC-UHFFFAOYSA-N	-1	0	311.319	0.108	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCNc1ccccc1[N+](=O)[O-]	ZINC000739078019	600408356	/nfs/dbraw/zinc/40/83/56/600408356.db2.gz	WVJJZCVXTLHXLC-UHFFFAOYSA-N	-1	0	306.278	0.834	20	30		DCEDRM
N#Cc1cccc(OCC(=O)Nc2cnn(CC(=O)[O-])c2)c1	ZINC000739140631	600525614	/nfs/dbraw/zinc/52/56/14/600525614.db2.gz	WASFTDHYUJVNAU-UHFFFAOYSA-N	-1	0	300.274	0.857	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)[C@@H]2CCS(=O)(=O)C2)C(=O)[O-])cc1	ZINC000739112339	600609104	/nfs/dbraw/zinc/60/91/04/600609104.db2.gz	YZDOIZVAIGDMAQ-VXGBXAGGSA-N	-1	0	323.326	0.662	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)COC(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000736413555	600649030	/nfs/dbraw/zinc/64/90/30/600649030.db2.gz	DHYCKTWUJNQCHV-GFCCVEGCSA-N	-1	0	319.317	0.726	20	30		DCEDRM
N#Cc1ccc(C(=O)OCc2noc(CCC(=O)[O-])n2)cn1	ZINC000739106536	600649430	/nfs/dbraw/zinc/64/94/30/600649430.db2.gz	SZSKIEUDETVSQY-UHFFFAOYSA-N	-1	0	302.246	0.710	20	30		DCEDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC000738304828	600764228	/nfs/dbraw/zinc/76/42/28/600764228.db2.gz	HAYNYPJSPGPXDG-UHFFFAOYSA-N	-1	0	313.291	0.502	20	30		DCEDRM
Cc1cc(S(=O)(=O)N(CC#N)CC(=O)[O-])cnc1Cl	ZINC000738474640	600796849	/nfs/dbraw/zinc/79/68/49/600796849.db2.gz	RCPRBMOXDMXEBL-UHFFFAOYSA-N	-1	0	303.727	0.642	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(CC(=O)[O-])CC1	ZINC000833071262	600811180	/nfs/dbraw/zinc/81/11/80/600811180.db2.gz	YXKJUJDJNZAQTN-UHFFFAOYSA-N	-1	0	323.374	0.897	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1ccnn1C1CCCC1	ZINC000833067004	601004660	/nfs/dbraw/zinc/00/46/60/601004660.db2.gz	NIQWVEPPXKKACX-UHFFFAOYSA-N	-1	0	305.338	0.847	20	30		DCEDRM
Cn1c(CC(=O)N(CC#N)CC(=O)[O-])nnc1-c1ccccc1	ZINC000739013028	601019906	/nfs/dbraw/zinc/01/99/06/601019906.db2.gz	UIZDGBAALABIKK-UHFFFAOYSA-N	-1	0	313.317	0.461	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1ccncc1	ZINC000825664535	601261942	/nfs/dbraw/zinc/26/19/42/601261942.db2.gz	CXAURMUCVODJBH-LBPRGKRZSA-N	-1	0	313.379	0.940	20	30		DCEDRM
CN(CCC#N)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC000830722488	601405314	/nfs/dbraw/zinc/40/53/14/601405314.db2.gz	DHYSGWXQBJQSDQ-UHFFFAOYSA-N	-1	0	318.333	0.807	20	30		DCEDRM
CCN(CCC(=O)[O-])C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000829697184	601437887	/nfs/dbraw/zinc/43/78/87/601437887.db2.gz	CLIYZLAVHGHSIB-UHFFFAOYSA-N	-1	0	303.318	0.611	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1C#N	ZINC000832971750	601482973	/nfs/dbraw/zinc/48/29/73/601482973.db2.gz	XKIOWPRJVJLYTL-HNNXBMFYSA-N	-1	0	319.292	0.830	20	30		DCEDRM
Cn1ncc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1N	ZINC000833062377	601590472	/nfs/dbraw/zinc/59/04/72/601590472.db2.gz	OGBOVLMVUYHKPV-LLVKDONJSA-N	-1	0	300.274	0.857	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000833067915	601610645	/nfs/dbraw/zinc/61/06/45/601610645.db2.gz	KCEXJHXXIURSRV-CYBMUJFWSA-N	-1	0	304.302	0.443	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1c(F)cc(C#N)cc1F	ZINC000831170550	601674366	/nfs/dbraw/zinc/67/43/66/601674366.db2.gz	PXNSMNPTEWUEBS-UHFFFAOYSA-N	-1	0	312.228	0.536	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2ccsc2C(=O)[O-])CC1	ZINC000825687430	601805796	/nfs/dbraw/zinc/80/57/96/601805796.db2.gz	JTLSEIHECDSWKQ-UHFFFAOYSA-N	-1	0	323.418	0.866	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCSC[C@@H]1CC(=O)[O-]	ZINC000829641854	601892832	/nfs/dbraw/zinc/89/28/32/601892832.db2.gz	BSEOCDHASLSHFF-NEPJUHHUSA-N	-1	0	313.423	0.887	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000827981020	602049988	/nfs/dbraw/zinc/04/99/88/602049988.db2.gz	RGEPTRMJVCXTBV-CQSZACIVSA-N	-1	0	319.321	0.058	20	30		DCEDRM
CN1CCC(C#N)(NC(=O)c2ccc(CNC(=O)[O-])o2)CC1	ZINC000828459701	602874197	/nfs/dbraw/zinc/87/41/97/602874197.db2.gz	LUONWWWYYKGRPZ-UHFFFAOYSA-N	-1	0	306.322	0.765	20	30		DCEDRM
COC(=O)[C@H](OC(=O)CN(C)C(=O)[O-])c1ccc(C#N)cc1	ZINC000737576773	603110909	/nfs/dbraw/zinc/11/09/09/603110909.db2.gz	HNMXSNAQFIDYFC-GFCCVEGCSA-N	-1	0	306.274	0.925	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1Cc2ccccc2O1	ZINC000831076305	603588966	/nfs/dbraw/zinc/58/89/66/603588966.db2.gz	JQPJMVFQUAMMAR-AAEUAGOBSA-N	-1	0	301.302	0.704	20	30		DCEDRM
COC(=O)c1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)s1	ZINC000828767163	603590838	/nfs/dbraw/zinc/59/08/38/603590838.db2.gz	VAOQXZVTHAAJTH-QMMMGPOBSA-N	-1	0	323.330	0.863	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2c(c1)OCO2	ZINC000831087509	603593479	/nfs/dbraw/zinc/59/34/79/603593479.db2.gz	MPLOPUCDINLKEV-JTQLQIEISA-N	-1	0	303.274	0.743	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCOC[C@@H]1CCCO1	ZINC000831082767	603593503	/nfs/dbraw/zinc/59/35/03/603593503.db2.gz	QTJXKHCZZUZJSS-NEPJUHHUSA-N	-1	0	311.338	0.286	20	30		DCEDRM
CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000823597916	603599163	/nfs/dbraw/zinc/59/91/63/603599163.db2.gz	NIFSXVNGSRVVOP-CYBMUJFWSA-N	-1	0	316.317	0.973	20	30		DCEDRM
CC(C)(C)CC(=O)NCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000823760189	603603329	/nfs/dbraw/zinc/60/33/29/603603329.db2.gz	QBNOFMRUEZNQRW-SNVBAGLBSA-N	-1	0	310.354	0.253	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)Nc1cccc(F)c1	ZINC000831092375	603726331	/nfs/dbraw/zinc/72/63/31/603726331.db2.gz	VDXUPKVOSWRXSO-GFCCVEGCSA-N	-1	0	306.297	0.952	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)NCc1ccccc1	ZINC000831091990	603729879	/nfs/dbraw/zinc/72/98/79/603729879.db2.gz	OMXPHUDSUGZGCT-CYBMUJFWSA-N	-1	0	302.334	0.491	20	30		DCEDRM
CN(C(=O)[O-])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1	ZINC000827829487	603768779	/nfs/dbraw/zinc/76/87/79/603768779.db2.gz	KOONUGABAASHDX-GFCCVEGCSA-N	-1	0	316.317	0.707	20	30		DCEDRM
O=C([O-])N1CC(=NNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000831837212	603808974	/nfs/dbraw/zinc/80/89/74/603808974.db2.gz	DOWARRBXVDXSIO-UHFFFAOYSA-N	-1	0	314.279	0.223	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1	ZINC000831102139	603915804	/nfs/dbraw/zinc/91/58/04/603915804.db2.gz	AFUPFTYELLTYMD-BXUZGUMPSA-N	-1	0	312.345	0.430	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1	ZINC000831102456	603920570	/nfs/dbraw/zinc/92/05/70/603920570.db2.gz	KGGSDYVSRFZHML-CHWSQXEVSA-N	-1	0	308.382	0.774	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H](CNC(=O)[O-])c1ccccc1	ZINC000823457131	603923743	/nfs/dbraw/zinc/92/37/43/603923743.db2.gz	VGWMZINNQIVMES-WCQYABFASA-N	-1	0	318.329	0.719	20	30		DCEDRM
C[C@H](CC(=O)OCC(=O)NCc1ccc(C#N)cc1)NC(=O)[O-]	ZINC000824727149	603961302	/nfs/dbraw/zinc/96/13/02/603961302.db2.gz	DRGPXNPIFXKDNG-SNVBAGLBSA-N	-1	0	319.317	0.764	20	30		DCEDRM
C[C@H](CC(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1)NC(=O)[O-]	ZINC000824709663	603964259	/nfs/dbraw/zinc/96/42/59/603964259.db2.gz	CKGLCHVHXBYNRT-PELKAZGASA-N	-1	0	305.290	0.674	20	30		DCEDRM
N#C[C@H](NC(=O)COC1CN(C(=O)[O-])C1)c1ccc(F)cc1	ZINC000831070729	603973572	/nfs/dbraw/zinc/97/35/72/603973572.db2.gz	QUPKPGFSHJGIMX-LBPRGKRZSA-N	-1	0	307.281	0.885	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CSc1cccc[n+]1[O-]	ZINC000831081920	604066600	/nfs/dbraw/zinc/06/66/00/604066600.db2.gz	DJIVWSUXJWQPHY-SNVBAGLBSA-N	-1	0	322.346	0.126	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCc2c[nH]nc2C1	ZINC000831077051	604067409	/nfs/dbraw/zinc/06/74/09/604067409.db2.gz	VZCBAQPBGOWQAK-MWLCHTKSSA-N	-1	0	303.322	0.229	20	30		DCEDRM
CC(C)c1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)nn1C	ZINC000824453428	604073595	/nfs/dbraw/zinc/07/35/95/604073595.db2.gz	JZFBKCOVJDIYBO-SNVBAGLBSA-N	-1	0	305.338	0.871	20	30		DCEDRM
Cc1nc(C)c(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c(=O)[nH]1	ZINC000830715852	604076272	/nfs/dbraw/zinc/07/62/72/604076272.db2.gz	KHNKHCHSDIRHDL-SNVBAGLBSA-N	-1	0	319.321	0.056	20	30		DCEDRM
Cc1ccn2cc(C(=O)N3CCN(C(=O)[O-])C[C@@H]3C#N)nc2c1	ZINC000830606904	604077679	/nfs/dbraw/zinc/07/76/79/604077679.db2.gz	GEGNBBGZRBZMON-NSHDSACASA-N	-1	0	313.317	0.971	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccc(C=O)cc1	ZINC000831083209	604087138	/nfs/dbraw/zinc/08/71/38/604087138.db2.gz	XRWAHNBKKQSNGB-LBPRGKRZSA-N	-1	0	317.301	0.592	20	30		DCEDRM
CN(C[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1)C(=O)[O-]	ZINC000828223671	604092812	/nfs/dbraw/zinc/09/28/12/604092812.db2.gz	OKBUKSJWXRMFON-SWLSCSKDSA-N	-1	0	308.382	0.869	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)CC1(NC(=O)[O-])CCC1)C1CC1	ZINC000823646473	604228973	/nfs/dbraw/zinc/22/89/73/604228973.db2.gz	CNDCKNQDZGLOEH-CQSZACIVSA-N	-1	0	323.349	0.918	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2ccc(OCC(=O)[O-])cc2)n1	ZINC000833079445	604283442	/nfs/dbraw/zinc/28/34/42/604283442.db2.gz	VTSMAKVSDIQAHP-UHFFFAOYSA-N	-1	0	301.262	0.252	20	30		DCEDRM
CC[C@@](NC(=O)Cn1cnc(C#N)n1)(C(=O)[O-])c1ccccc1	ZINC000828943251	604311208	/nfs/dbraw/zinc/31/12/08/604311208.db2.gz	JRZPZWOZCVPWIN-HNNXBMFYSA-N	-1	0	313.317	0.656	20	30		DCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@@](C)(C#N)C(C)C	ZINC000827016622	604401533	/nfs/dbraw/zinc/40/15/33/604401533.db2.gz	QOMLGNVEAUCCOW-WFASDCNBSA-N	-1	0	313.398	0.851	20	30		DCEDRM
O=C([O-])N1CCO[C@@H](CC(=O)NCC#Cc2ccccc2)C1	ZINC000831381109	604672119	/nfs/dbraw/zinc/67/21/19/604672119.db2.gz	ISXKNWFVHCEACP-AWEZNQCLSA-N	-1	0	302.330	0.923	20	30		DCEDRM
N#Cc1cccc(CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831146260	604694378	/nfs/dbraw/zinc/69/43/78/604694378.db2.gz	MWLOVGLLSLFGBR-ZDUSSCGKSA-N	-1	0	303.318	0.943	20	30		DCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC000262500246	604748172	/nfs/dbraw/zinc/74/81/72/604748172.db2.gz	NKSIHSWPLJIDTR-LLVKDONJSA-N	-1	0	318.329	0.764	20	30		DCEDRM
Cn1cnc2cc(S(=O)(=O)N(CC#N)CC(=O)[O-])ccc21	ZINC000833058940	604807495	/nfs/dbraw/zinc/80/74/95/604807495.db2.gz	RXDKNSJRGPNKOD-UHFFFAOYSA-N	-1	0	308.319	0.172	20	30		DCEDRM
N#CCCN(Cc1ccccn1)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000831097942	604833131	/nfs/dbraw/zinc/83/31/31/604833131.db2.gz	ZHDQOBWWTACGMW-CYBMUJFWSA-N	-1	0	318.333	0.703	20	30		DCEDRM
CN(C(=O)C#Cc1ccc2c(c1)OCO2)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827730071	604865675	/nfs/dbraw/zinc/86/56/75/604865675.db2.gz	CALSEGRTGKAWNB-GFCCVEGCSA-N	-1	0	316.313	0.978	20	30		DCEDRM
N#C[C@H]1CN(C(=O)Nc2nc(CCC(=O)[O-])cs2)CCO1	ZINC000833062281	604967504	/nfs/dbraw/zinc/96/75/04/604967504.db2.gz	KPXGLQJXJLGXEL-VIFPVBQESA-N	-1	0	310.335	0.917	20	30		DCEDRM
COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@H](C)NC(=O)[O-]	ZINC000833736432	604980807	/nfs/dbraw/zinc/98/08/07/604980807.db2.gz	JPSJTIZAIIQZGR-DTWKUNHWSA-N	-1	0	305.290	0.999	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000833370859	605060840	/nfs/dbraw/zinc/06/08/40/605060840.db2.gz	ODDOGOIRIFRUKI-VIFPVBQESA-N	-1	0	317.338	0.987	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000833371894	605061064	/nfs/dbraw/zinc/06/10/64/605061064.db2.gz	ZKZNYIGMCREMGO-GFCCVEGCSA-N	-1	0	313.375	0.777	20	30		DCEDRM
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)C(=O)[O-]	ZINC000833471962	605087197	/nfs/dbraw/zinc/08/71/97/605087197.db2.gz	QGGCLUQUVHWCSL-WCQYABFASA-N	-1	0	306.318	0.523	20	30		DCEDRM
COC(=O)c1cc(CN2CCO[C@H](C#N)C2)cc(C(=O)[O-])c1	ZINC000833712596	605204048	/nfs/dbraw/zinc/20/40/48/605204048.db2.gz	KBWHNNSSGIYXIN-CYBMUJFWSA-N	-1	0	304.302	0.896	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC000833376674	605210910	/nfs/dbraw/zinc/21/09/10/605210910.db2.gz	NVKBRKOXWYRHHC-UHFFFAOYSA-N	-1	0	312.347	0.274	20	30		DCEDRM
C=CCNC(=O)CNC(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000393823511	605237481	/nfs/dbraw/zinc/23/74/81/605237481.db2.gz	KZSSSMUYAOSYHB-UHFFFAOYSA-N	-1	0	307.306	0.574	20	30		DCEDRM
N#Cc1cccc(NC(=O)COC(=O)C=C2CN(C(=O)[O-])C2)c1	ZINC000833976821	605314206	/nfs/dbraw/zinc/31/42/06/605314206.db2.gz	RHSMHFNSUOHFDA-UHFFFAOYSA-N	-1	0	315.285	0.960	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)CCOC2CN(C(=O)[O-])C2)C1	ZINC000833968289	605334031	/nfs/dbraw/zinc/33/40/31/605334031.db2.gz	ZHBOEUBTNXRSTF-GFCCVEGCSA-N	-1	0	324.381	0.107	20	30		DCEDRM
N#CCCn1ccc(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)n1	ZINC000831097830	605347460	/nfs/dbraw/zinc/34/74/60/605347460.db2.gz	VPLNQPILKDKZBG-LLVKDONJSA-N	-1	0	321.337	0.894	20	30		DCEDRM
C=C(C)COCCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823480925	605404578	/nfs/dbraw/zinc/40/45/78/605404578.db2.gz	SJBGLSNAAQNVLO-GFCCVEGCSA-N	-1	0	300.355	0.854	20	30		DCEDRM
N#CCN1CCC(NC(=O)CC[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000833966784	605460763	/nfs/dbraw/zinc/46/07/63/605460763.db2.gz	LGQBKIKKOBMOSZ-LBPRGKRZSA-N	-1	0	308.382	0.871	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1c[nH]c(C#N)c1)C(=O)[O-]	ZINC000833490935	605471617	/nfs/dbraw/zinc/47/16/17/605471617.db2.gz	HKNLXBPUACWRKA-NSHDSACASA-N	-1	0	306.322	0.232	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2CC[C@H](NC(=O)[O-])C2)c1	ZINC000833968303	605581665	/nfs/dbraw/zinc/58/16/65/605581665.db2.gz	ZKEXRQGUYJQTCO-LBPRGKRZSA-N	-1	0	303.318	1.000	20	30		DCEDRM
CC1(C#N)CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1	ZINC000833551472	605610945	/nfs/dbraw/zinc/61/09/45/605610945.db2.gz	LRRMJWIJZDIUTL-UHFFFAOYSA-N	-1	0	312.351	0.282	20	30		DCEDRM
C=CCOCCCC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833376005	605663051	/nfs/dbraw/zinc/66/30/51/605663051.db2.gz	QJLNIXXXLYEHRK-RYUDHWBXSA-N	-1	0	313.350	0.834	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)Cn1cnc(C#N)n1	ZINC000825193479	605683071	/nfs/dbraw/zinc/68/30/71/605683071.db2.gz	IVDVDNUVXCIJBG-ZJUUUORDSA-N	-1	0	306.326	0.187	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000833968669	605685462	/nfs/dbraw/zinc/68/54/62/605685462.db2.gz	XELRCSQZMBRUSR-WXHSDQCUSA-N	-1	0	320.305	0.720	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)c1C#N	ZINC000833935645	605695577	/nfs/dbraw/zinc/69/55/77/605695577.db2.gz	HESOPDWMHPJWSC-JTQLQIEISA-N	-1	0	306.322	0.903	20	30		DCEDRM
Cc1onc(CC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])c1C#N	ZINC000833936593	605697857	/nfs/dbraw/zinc/69/78/57/605697857.db2.gz	NBXSDBIYTCMKQG-KOLCDFICSA-N	-1	0	306.322	0.950	20	30		DCEDRM
Cc1onc(CC(=O)N2CCN(C(=O)[O-])[C@H](C)[C@H]2C)c1C#N	ZINC000833936881	605700041	/nfs/dbraw/zinc/70/00/41/605700041.db2.gz	RIILYFYGJHJBOF-RKDXNWHRSA-N	-1	0	306.322	0.996	20	30		DCEDRM
C#CCN1CCN(C(=O)CN(C(=O)[O-])c2ccccc2)CC1	ZINC000823450469	605718820	/nfs/dbraw/zinc/71/88/20/605718820.db2.gz	BWKWLMUPHNIKJU-UHFFFAOYSA-N	-1	0	301.346	0.948	20	30		DCEDRM
N#CCN1CCN(C(=O)CN(C(=O)[O-])c2ccccc2)CC1	ZINC000831102474	605733917	/nfs/dbraw/zinc/73/39/17/605733917.db2.gz	KRPJFILWNOLUBH-UHFFFAOYSA-N	-1	0	302.334	0.839	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC[C@H](NC(=O)[O-])C2CC2)c1	ZINC000833976998	605803383	/nfs/dbraw/zinc/80/33/83/605803383.db2.gz	TXVBNAUXUDIIMZ-LBPRGKRZSA-N	-1	0	309.347	0.883	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)CNC(=O)[O-]	ZINC000833901706	605820477	/nfs/dbraw/zinc/82/04/77/605820477.db2.gz	NAOONERBGYVBOW-SECBINFHSA-N	-1	0	318.333	0.825	20	30		DCEDRM
C#CCN1CCN(C(=O)CN2CCCCC[C@@H]2C(=O)[O-])CC1	ZINC000833364151	605846787	/nfs/dbraw/zinc/84/67/87/605846787.db2.gz	FOUQILISAJUQFB-CQSZACIVSA-N	-1	0	307.394	0.093	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000819706320	605922044	/nfs/dbraw/zinc/92/20/44/605922044.db2.gz	WEZJTHZFOPIOHU-UHFFFAOYSA-N	-1	0	306.343	0.806	20	30		DCEDRM
N#CCCN(Cc1cccnc1)CN1C[C@H](NC(=O)[O-])CC1=O	ZINC000833965607	605991581	/nfs/dbraw/zinc/99/15/81/605991581.db2.gz	PDFXVFSICMRRHZ-CYBMUJFWSA-N	-1	0	317.349	0.623	20	30		DCEDRM
CC(=Nn1c(C)cc(C)c(-c2nnn[n-]2)c1=O)c1nccn1C	ZINC000823962913	607885053	/nfs/dbraw/zinc/88/50/53/607885053.db2.gz	RJLMZEBLLONQGZ-UHFFFAOYSA-N	-1	0	312.337	0.651	20	30		DCEDRM
C=CCCC[C@@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C	ZINC000823894924	608588235	/nfs/dbraw/zinc/58/82/35/608588235.db2.gz	ZSFGTKNBIGDPDM-SECBINFHSA-N	-1	0	319.369	0.421	20	30		DCEDRM
N#Cc1cc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)c[nH]1	ZINC001027836527	660816362	/nfs/dbraw/zinc/81/63/62/660816362.db2.gz	SMOUIYLVYGQKCH-NSHDSACASA-N	-1	0	315.337	0.104	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@H]2C[C@@H](NCC#N)C2)cc1=O	ZINC001022378154	657816265	/nfs/dbraw/zinc/81/62/65/657816265.db2.gz	BEPRUHVFYDNJNH-TXEJJXNPSA-N	-1	0	305.382	0.135	20	30		DCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)N(C)CCC(=O)OCC	ZINC000893423553	659127466	/nfs/dbraw/zinc/12/74/66/659127466.db2.gz	MIUCWYFKGDJICI-UHFFFAOYSA-N	-1	0	320.411	0.835	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCCn1ccccc1=O	ZINC000776114932	659403856	/nfs/dbraw/zinc/40/38/56/659403856.db2.gz	FFQVVUCZKDXSAO-UHFFFAOYSA-N	-1	0	311.363	0.378	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3nncn3CC2)CC1	ZINC000893035117	659692403	/nfs/dbraw/zinc/69/24/03/659692403.db2.gz	WRXVNGJVEASNNT-LLVKDONJSA-N	-1	0	324.406	0.785	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC000983217784	661791785	/nfs/dbraw/zinc/79/17/85/661791785.db2.gz	VFPLGWGNIYGJEI-WPRPVWTQSA-N	-1	0	305.338	0.162	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC000984587013	662238564	/nfs/dbraw/zinc/23/85/64/662238564.db2.gz	OZXIIZRWNHOVRH-ONGXEEELSA-N	-1	0	319.365	0.646	20	30		DCEDRM
C[C@H]1[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000986131648	662559826	/nfs/dbraw/zinc/55/98/26/662559826.db2.gz	IXDSXDKRNDOYIV-WPRPVWTQSA-N	-1	0	315.337	0.103	20	30		DCEDRM
CC#CCCNC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC000898823236	663109245	/nfs/dbraw/zinc/10/92/45/663109245.db2.gz	LWYFBALLCKXCNE-BGMSHATGSA-N	-1	0	322.361	0.695	20	30		DCEDRM
C=CCNC(=O)CN1CCN(c2nc(C)c(C(=O)[O-])s2)CC1	ZINC000900945374	663294000	/nfs/dbraw/zinc/29/40/00/663294000.db2.gz	KCLGZEJQNWOTMO-UHFFFAOYSA-N	-1	0	324.406	0.574	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000902482802	663417125	/nfs/dbraw/zinc/41/71/25/663417125.db2.gz	CHYVYCNBGHPPMY-ZDUSSCGKSA-N	-1	0	303.318	0.306	20	30		DCEDRM
C=CCOCCNC(=O)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC000905540807	663562290	/nfs/dbraw/zinc/56/22/90/663562290.db2.gz	YWSFFDBPYAPVFX-GFCCVEGCSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C#CCCOc1ccc(C(=O)N=c2nn[n-]n2CCOC)cc1	ZINC000906294212	663608451	/nfs/dbraw/zinc/60/84/51/663608451.db2.gz	LSRNBOWTEVQXMO-UHFFFAOYSA-N	-1	0	315.333	0.396	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1	ZINC000907126125	663669466	/nfs/dbraw/zinc/66/94/66/663669466.db2.gz	CBDZRRCKQCFBJG-UHFFFAOYSA-N	-1	0	315.734	0.407	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cn1	ZINC000907477913	663697504	/nfs/dbraw/zinc/69/75/04/663697504.db2.gz	VVIJUDVDPPRKJB-LLVKDONJSA-N	-1	0	300.347	0.506	20	30		DCEDRM
C#CCSCCNC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000909053241	663779835	/nfs/dbraw/zinc/77/98/35/663779835.db2.gz	WAFVXRHDVMXAER-GHMZBOCLSA-N	-1	0	300.380	0.674	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000909239175	663788747	/nfs/dbraw/zinc/78/87/47/663788747.db2.gz	SGHZPFIXVSDMKT-CYDGBPFRSA-N	-1	0	312.366	0.851	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)OCc1ccncc1)C(=O)[O-]	ZINC000909772967	663800849	/nfs/dbraw/zinc/80/08/49/663800849.db2.gz	ZCGYRDMCPDMAFQ-YPMHNXCESA-N	-1	0	308.334	0.759	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@](C)(O)Cc1ccccc1)C(=O)[O-]	ZINC000909772910	663800953	/nfs/dbraw/zinc/80/09/53/663800953.db2.gz	XZCCDHPKMVWZKL-CZUORRHYSA-N	-1	0	307.346	0.752	20	30		DCEDRM
C=C[C@@](C)(O)C(=O)N1CCC(n2ncc(C(=O)[O-])c2C)CC1	ZINC000909818010	663808354	/nfs/dbraw/zinc/80/83/54/663808354.db2.gz	DKBNSMXHCQUKEJ-OAHLLOKOSA-N	-1	0	307.350	0.990	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC000909986485	663827291	/nfs/dbraw/zinc/82/72/91/663827291.db2.gz	MQJXETRXRDESAL-SNVBAGLBSA-N	-1	0	306.322	0.178	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc2c(C)nn(C)c2nc1C)C(=O)[O-]	ZINC000910052421	663837326	/nfs/dbraw/zinc/83/73/26/663837326.db2.gz	XDKWKDRERYFYLJ-GFCCVEGCSA-N	-1	0	300.318	0.791	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1csc(N2CCOCC2)n1)C(=O)[O-]	ZINC000910050105	663840980	/nfs/dbraw/zinc/84/09/80/663840980.db2.gz	FLSFMIUILIATCA-LLVKDONJSA-N	-1	0	323.374	0.115	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccnc(N2CCCCC2)n1)C(=O)[O-]	ZINC000910050121	663841145	/nfs/dbraw/zinc/84/11/45/663841145.db2.gz	FQNRMTYJSWGLRY-GFCCVEGCSA-N	-1	0	302.334	0.673	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](Cc1cccc(OC)c1)C(=O)[O-]	ZINC000910210005	663857393	/nfs/dbraw/zinc/85/73/93/663857393.db2.gz	QYJMEGMYZXCGQQ-FZMZJTMJSA-N	-1	0	305.330	0.845	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1	ZINC000911395490	664047570	/nfs/dbraw/zinc/04/75/70/664047570.db2.gz	RIOKXTAEEXICLX-CYBMUJFWSA-N	-1	0	305.330	0.881	20	30		DCEDRM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccncc1C#N	ZINC000912562591	664186015	/nfs/dbraw/zinc/18/60/15/664186015.db2.gz	KLTYCFYEGPDMGX-UHFFFAOYSA-N	-1	0	321.318	0.076	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(N2CCNC2=O)cc1	ZINC000129469040	664229788	/nfs/dbraw/zinc/22/97/88/664229788.db2.gz	ZKGUOSMPXILBKO-ZDUSSCGKSA-N	-1	0	312.329	0.817	20	30		DCEDRM
C#CCOc1ccc(C([O-])=C(C#N)C(=O)NCCOC)cc1	ZINC000173957691	664633836	/nfs/dbraw/zinc/63/38/36/664633836.db2.gz	FVODEGAYWCINAX-AWEZNQCLSA-N	-1	0	300.314	0.784	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccn1)[C@@H]1CCCO1	ZINC000914390417	664776684	/nfs/dbraw/zinc/77/66/84/664776684.db2.gz	BSUZRLYWXAITEJ-NEPJUHHUSA-N	-1	0	324.358	0.327	20	30		DCEDRM
N#Cc1ccccc1COC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730658892	664799669	/nfs/dbraw/zinc/79/96/69/664799669.db2.gz	XJDQACDYIDINSK-UHFFFAOYSA-N	-1	0	309.285	0.686	20	30		DCEDRM
N#Cc1ccsc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000731959129	664894610	/nfs/dbraw/zinc/89/46/10/664894610.db2.gz	JPFVQZYALRXZFU-UHFFFAOYSA-N	-1	0	300.303	0.643	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-]	ZINC000863421478	667142226	/nfs/dbraw/zinc/14/22/26/667142226.db2.gz	YKFCMBKDZARRCQ-SNVBAGLBSA-N	-1	0	320.754	0.964	20	30		DCEDRM
Cc1nnc(NN=Cc2ccc(N(C)CCO)cc2)[n-]c1=O	ZINC000916284364	665066384	/nfs/dbraw/zinc/06/63/84/665066384.db2.gz	ZNENCHAGECBWKR-UHFFFAOYSA-N	-1	0	302.338	0.760	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(S(C)(=O)=O)cc1	ZINC000916891965	665099522	/nfs/dbraw/zinc/09/95/22/665099522.db2.gz	HOCPVMILYPJJBH-LBPRGKRZSA-N	-1	0	324.358	0.175	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(N2CCNC2=O)cc1	ZINC000916921860	665101274	/nfs/dbraw/zinc/10/12/74/665101274.db2.gz	XWXQFWAVUYQGKO-CYBMUJFWSA-N	-1	0	312.329	0.841	20	30		DCEDRM
C#CC1(O)CCN(S(=O)(=O)c2cc(OC)ccc2O)CC1	ZINC000917914488	665150480	/nfs/dbraw/zinc/15/04/80/665150480.db2.gz	QWXXIDKBALRRPG-UHFFFAOYSA-N	-1	0	311.359	0.550	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(OCCOC)c1	ZINC000920107919	665259003	/nfs/dbraw/zinc/25/90/03/665259003.db2.gz	JTTFMKDDGZAPRJ-CQSZACIVSA-N	-1	0	320.345	0.797	20	30		DCEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H]1CCN(C(=O)[C@H](C)C#N)C1	ZINC000942742340	666213341	/nfs/dbraw/zinc/21/33/41/666213341.db2.gz	FGQPVVPSAKAHTO-KOLCDFICSA-N	-1	0	319.365	0.646	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1	ZINC000862141153	667022395	/nfs/dbraw/zinc/02/23/95/667022395.db2.gz	HRISVQQEISVWIC-LLVKDONJSA-N	-1	0	307.375	0.939	20	30		DCEDRM
CCn1ncc(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)n1	ZINC000862386241	667040942	/nfs/dbraw/zinc/04/09/42/667040942.db2.gz	NAUQAPXGHQQZQS-UHFFFAOYSA-N	-1	0	318.362	0.922	20	30		DCEDRM
O=[N+]([O-])c1ccc(C=NN[C@H]2CCCS(=O)(=O)C2)cc1[O-]	ZINC000863131115	667113114	/nfs/dbraw/zinc/11/31/14/667113114.db2.gz	XSYIFYFDFKKZKD-JTQLQIEISA-N	-1	0	313.335	0.801	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)OC)OCC	ZINC000756558213	667155181	/nfs/dbraw/zinc/15/51/81/667155181.db2.gz	PAZYCUQINCGTAP-NSHDSACASA-N	-1	0	321.395	0.757	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccnc2c1nnn2C)C(=O)[O-]	ZINC000864188362	667222984	/nfs/dbraw/zinc/22/29/84/667222984.db2.gz	HLZZKGRDOISZHL-MRVPVSSYSA-N	-1	0	309.713	0.689	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-]	ZINC000864451674	667255522	/nfs/dbraw/zinc/25/55/22/667255522.db2.gz	IPLITARBLGTQRU-NSHDSACASA-N	-1	0	306.384	0.351	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)NC[C@H](OC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000864529374	667258699	/nfs/dbraw/zinc/25/86/99/667258699.db2.gz	YMTQRNNARMWAOW-VWYCJHECSA-N	-1	0	320.773	0.933	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)NC[C@H](OC)[C@H]1CCOC1)C(=O)[O-]	ZINC000864529367	667258784	/nfs/dbraw/zinc/25/87/84/667258784.db2.gz	YMTQRNNARMWAOW-DCAQKATOSA-N	-1	0	320.773	0.933	20	30		DCEDRM
CC1CCC(N2C[C@@H](C(=O)N(CC#N)CC(=O)[O-])CC2=O)CC1	ZINC000736761095	667283027	/nfs/dbraw/zinc/28/30/27/667283027.db2.gz	HVEFKGMKJBYRLP-CPCZMJQVSA-N	-1	0	321.377	0.850	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn(C(F)F)c1	ZINC000870133592	667712543	/nfs/dbraw/zinc/71/25/43/667712543.db2.gz	CJZUVQGXNXSFSM-VIFPVBQESA-N	-1	0	300.265	0.753	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@@H](C)CC2	ZINC000870137937	667713344	/nfs/dbraw/zinc/71/33/44/667713344.db2.gz	FLJWCKWRJXSJIH-QWRGUYRKSA-N	-1	0	304.350	0.550	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)ncc1C#N	ZINC000838853698	667714227	/nfs/dbraw/zinc/71/42/27/667714227.db2.gz	JLNKBIYQFSXIJM-LLVKDONJSA-N	-1	0	309.347	0.500	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)C(=O)OC	ZINC000841539726	667731131	/nfs/dbraw/zinc/73/11/31/667731131.db2.gz	FOKVTPFJBACXFZ-LBPRGKRZSA-N	-1	0	317.313	0.949	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C(F)(F)F)ncn1	ZINC000870329761	667731690	/nfs/dbraw/zinc/73/16/90/667731690.db2.gz	LJCQKEDITBJUJT-UHFFFAOYSA-N	-1	0	307.253	0.578	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cnn(CCOC)c2)CC1	ZINC000870369033	667734581	/nfs/dbraw/zinc/73/45/81/667734581.db2.gz	JADCDNNDGHREHD-UHFFFAOYSA-N	-1	0	313.379	0.698	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)cc1	ZINC000871771795	667848056	/nfs/dbraw/zinc/84/80/56/667848056.db2.gz	KJYIIHBPGFNNQB-FRRDWIJNSA-N	-1	0	306.343	0.899	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)C[C@H]1CCCOC1)C(=O)[O-]	ZINC000871996646	667864867	/nfs/dbraw/zinc/86/48/67/667864867.db2.gz	SETAMCBFHHXJEN-UWVGGRQHSA-N	-1	0	311.787	0.928	20	30		DCEDRM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC#N)c2)o1	ZINC000748641840	667934715	/nfs/dbraw/zinc/93/47/15/667934715.db2.gz	RYFSUYFXSBNCOX-UHFFFAOYSA-N	-1	0	324.318	0.977	20	30		DCEDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000752187299	668014082	/nfs/dbraw/zinc/01/40/82/668014082.db2.gz	WNJRJBJSKSVRDU-UHFFFAOYSA-N	-1	0	316.360	0.633	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cncc(N2CCOCC2)c1	ZINC000757409419	668130652	/nfs/dbraw/zinc/13/06/52/668130652.db2.gz	MMHUUTAHPWJBKV-AWEZNQCLSA-N	-1	0	316.361	0.765	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)NC)cs1	ZINC000762049407	668344961	/nfs/dbraw/zinc/34/49/61/668344961.db2.gz	CACNBUZIOWZNDH-UHFFFAOYSA-N	-1	0	318.376	0.369	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)NC)oc1C	ZINC000762067702	668345424	/nfs/dbraw/zinc/34/54/24/668345424.db2.gz	XPAMMBAWAGHHOT-UHFFFAOYSA-N	-1	0	316.335	0.209	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1)OCC	ZINC000762129918	668348154	/nfs/dbraw/zinc/34/81/54/668348154.db2.gz	GHMWKYCUBKNBCW-NWDGAFQWSA-N	-1	0	305.396	0.840	20	30		DCEDRM
N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000762141805	668348996	/nfs/dbraw/zinc/34/89/96/668348996.db2.gz	VIJATITUIIQMHP-NSHDSACASA-N	-1	0	324.358	0.685	20	30		DCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000764215058	668439905	/nfs/dbraw/zinc/43/99/05/668439905.db2.gz	CUSKGMOJBVPSHX-LLVKDONJSA-N	-1	0	310.375	0.972	20	30		DCEDRM
COCCCCS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000766967850	668554631	/nfs/dbraw/zinc/55/46/31/668554631.db2.gz	DBDIBXKSJADUEU-UHFFFAOYSA-N	-1	0	310.375	0.973	20	30		DCEDRM
CC(C)(C)C1N=NC(=S)N1N=Cc1cn(CC(=O)[O-])nn1	ZINC000768475726	668611248	/nfs/dbraw/zinc/61/12/48/668611248.db2.gz	ARUUWJHTNQITQP-UHFFFAOYSA-N	-1	0	309.355	0.423	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn2cc(Br)cnc12	ZINC000770108237	668679399	/nfs/dbraw/zinc/67/93/99/668679399.db2.gz	ZSMRZCQJVYLAIZ-SSDOTTSWSA-N	-1	0	322.122	0.560	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(S(N)(=O)=O)cn2)c1	ZINC000770555653	668700714	/nfs/dbraw/zinc/70/07/14/668700714.db2.gz	ULNVDNCHLUVWTG-UHFFFAOYSA-N	-1	0	318.314	0.559	20	30		DCEDRM
COC(=O)CSCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770868034	668720995	/nfs/dbraw/zinc/72/09/95/668720995.db2.gz	BRUZWWUDNBJFFS-VIFPVBQESA-N	-1	0	309.347	0.608	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)o2)CCC1	ZINC000771076208	668730059	/nfs/dbraw/zinc/73/00/59/668730059.db2.gz	FFBZYIGRWLKMKC-UHFFFAOYSA-N	-1	0	311.319	0.132	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(OC)ccc1[N+](=O)[O-]	ZINC000772718620	668782303	/nfs/dbraw/zinc/78/23/03/668782303.db2.gz	STEXWBYZKGKHRU-UHFFFAOYSA-N	-1	0	300.292	0.849	20	30		DCEDRM
COC(=O)c1coc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)c1	ZINC000774136551	668823883	/nfs/dbraw/zinc/82/38/83/668823883.db2.gz	QWMAQFRVSIRGCM-ARJAWSKDSA-N	-1	0	304.258	0.762	20	30		DCEDRM
CC(C)(C)OC(=O)CCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000774173035	668824867	/nfs/dbraw/zinc/82/48/67/668824867.db2.gz	GPJNGWFONTXCSX-UHFFFAOYSA-N	-1	0	304.368	0.858	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)nn1C	ZINC000774294671	668829397	/nfs/dbraw/zinc/82/93/97/668829397.db2.gz	WIQVEWGAQSTDKK-UHFFFAOYSA-N	-1	0	300.340	0.038	20	30		DCEDRM
C#C[C@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@H]1CCCO1	ZINC000775805161	668867994	/nfs/dbraw/zinc/86/79/94/668867994.db2.gz	DKCKEJIEEVLENM-WCQYABFASA-N	-1	0	319.386	0.779	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cccc2c1OCCO2	ZINC000776115979	668871039	/nfs/dbraw/zinc/87/10/39/668871039.db2.gz	COFJKPIPJNDJCM-UHFFFAOYSA-N	-1	0	310.331	0.821	20	30		DCEDRM
CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)cc1	ZINC000776114969	668871056	/nfs/dbraw/zinc/87/10/56/668871056.db2.gz	GCGQWCGSVIXSBK-UHFFFAOYSA-N	-1	0	323.374	0.686	20	30		DCEDRM
C[C@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122945	668871352	/nfs/dbraw/zinc/87/13/52/668871352.db2.gz	UYKVTPDZKMANBB-VIFPVBQESA-N	-1	0	313.335	0.148	20	30		DCEDRM
Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776143573	668871819	/nfs/dbraw/zinc/87/18/19/668871819.db2.gz	IBFPFWBMQUFBDS-UHFFFAOYSA-N	-1	0	321.362	0.647	20	30		DCEDRM
Cn1ncc2c1ncn(N=Cc1ccc(O)c(C(=O)[O-])c1)c2=O	ZINC000777432037	668887462	/nfs/dbraw/zinc/88/74/62/668887462.db2.gz	HVEHFLYZZACXBV-UHFFFAOYSA-N	-1	0	313.273	0.416	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1CSCCS1	ZINC000780475436	668988933	/nfs/dbraw/zinc/98/89/33/668988933.db2.gz	HOTBRYALLFKULN-QMMMGPOBSA-N	-1	0	308.450	0.831	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCOCC2)CCC1	ZINC000786493313	669316100	/nfs/dbraw/zinc/31/61/00/669316100.db2.gz	JGPAPFJRQVNTSM-LLVKDONJSA-N	-1	0	300.380	0.943	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)COCc1cccnc1	ZINC000805910557	669537064	/nfs/dbraw/zinc/53/70/64/669537064.db2.gz	TWCMRNWNEUTGBP-UHFFFAOYSA-N	-1	0	311.363	0.594	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cncc(Br)c1	ZINC000791111551	669594326	/nfs/dbraw/zinc/59/43/26/669594326.db2.gz	UFHLSNCPBVIMEV-UHFFFAOYSA-N	-1	0	317.164	0.927	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1CCN(c2cnccn2)CC1	ZINC000791110555	669594393	/nfs/dbraw/zinc/59/43/93/669594393.db2.gz	FQZZCLFJMSGGPQ-UHFFFAOYSA-N	-1	0	322.390	0.162	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1	ZINC000791110409	669594583	/nfs/dbraw/zinc/59/45/83/669594583.db2.gz	CXCJKXPNVIXYMK-GFCCVEGCSA-N	-1	0	312.391	0.104	20	30		DCEDRM
CC[C@H](NN=C(C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-]	ZINC000793070434	669700681	/nfs/dbraw/zinc/70/06/81/669700681.db2.gz	AZAYTKQCLNAQCN-VIFPVBQESA-N	-1	0	304.306	0.393	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)CC2OCCCO2)cc1	ZINC000793113069	669702090	/nfs/dbraw/zinc/70/20/90/669702090.db2.gz	REHYNXJXYWFOFL-UHFFFAOYSA-N	-1	0	310.331	0.516	20	30		DCEDRM
COc1ccc(CNC(=O)C(C#N)=C([O-])c2cnn(C)n2)cc1	ZINC000793122919	669702442	/nfs/dbraw/zinc/70/24/42/669702442.db2.gz	DCAYMXVENITREH-GFCCVEGCSA-N	-1	0	313.317	0.463	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(-c2nc[nH]n2)c1	ZINC000793127871	669702862	/nfs/dbraw/zinc/70/28/62/669702862.db2.gz	ZNNWWOGYXANDEW-LBPRGKRZSA-N	-1	0	313.317	0.557	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)CC1OCCCO1	ZINC000793148626	669703936	/nfs/dbraw/zinc/70/39/36/669703936.db2.gz	RFUBOHCOAFGJDM-UHFFFAOYSA-N	-1	0	324.358	0.825	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nc[nH]n2)cc1	ZINC000793191142	669706719	/nfs/dbraw/zinc/70/67/19/669706719.db2.gz	PSCUDVWWVNQVMI-UHFFFAOYSA-N	-1	0	319.346	0.835	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CCOCC1	ZINC000793204664	669707243	/nfs/dbraw/zinc/70/72/43/669707243.db2.gz	UCMNEXSEMLWCBB-JTQLQIEISA-N	-1	0	300.380	0.799	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnn2c1OCCC2	ZINC000796739989	669941824	/nfs/dbraw/zinc/94/18/24/669941824.db2.gz	IJRDSZFYVCZLDE-NSHDSACASA-N	-1	0	320.349	0.531	20	30		DCEDRM
N#Cc1ccc(C2(C(=O)[N-]S(=O)(=O)c3cc[nH]n3)CC2)cc1	ZINC000796875581	669945394	/nfs/dbraw/zinc/94/53/94/669945394.db2.gz	PJXRKZDQAXUHOK-UHFFFAOYSA-N	-1	0	316.342	0.818	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1occ2c1CCOC2	ZINC000797224983	669960052	/nfs/dbraw/zinc/96/00/52/669960052.db2.gz	IWKFWFXDCAUYIJ-UHFFFAOYSA-N	-1	0	312.347	0.962	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000797816142	669976690	/nfs/dbraw/zinc/97/66/90/669976690.db2.gz	IBBZBDNCDIRFGB-JOYOIKCWSA-N	-1	0	314.363	0.972	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(F)cc1)n1cnc(C#N)n1	ZINC000798811901	670025440	/nfs/dbraw/zinc/02/54/40/670025440.db2.gz	MRQUBPPKDRWWDS-QMMMGPOBSA-N	-1	0	323.309	0.355	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)COC(F)F	ZINC000802765540	670210960	/nfs/dbraw/zinc/21/09/60/670210960.db2.gz	XRVXTQCEEMCVQW-UHFFFAOYSA-N	-1	0	320.273	0.611	20	30		DCEDRM
Cn1cc(S(=O)(=O)NCc2ccc(C#N)cn2)cc1C(=O)[O-]	ZINC000806567392	670322043	/nfs/dbraw/zinc/32/20/43/670322043.db2.gz	WWSVYKGLKIAAEZ-UHFFFAOYSA-N	-1	0	320.330	0.468	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC(=O)N2)cc1	ZINC000808976637	670432761	/nfs/dbraw/zinc/43/27/61/670432761.db2.gz	VPRSVAGFBZQCCV-LLVKDONJSA-N	-1	0	321.358	0.422	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])ccc1C	ZINC000194588094	670442542	/nfs/dbraw/zinc/44/25/42/670442542.db2.gz	UGKCJZOMZLGXOB-GFCCVEGCSA-N	-1	0	305.290	0.988	20	30		DCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)n1	ZINC000810563704	670489767	/nfs/dbraw/zinc/48/97/67/670489767.db2.gz	QKMIEYRBSBJNAP-NSHDSACASA-N	-1	0	309.347	0.582	20	30		DCEDRM
N#CCOc1cccc(CC(=O)[N-]S(=O)(=O)CC2CC2)c1	ZINC000810582233	670490124	/nfs/dbraw/zinc/49/01/24/670490124.db2.gz	KSFQNFHPWOBMAP-UHFFFAOYSA-N	-1	0	308.359	0.987	20	30		DCEDRM
CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000195497141	670495620	/nfs/dbraw/zinc/49/56/20/670495620.db2.gz	PNFDSBHNSWOGOV-CHWSQXEVSA-N	-1	0	308.359	0.929	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1C(=O)C(C)C	ZINC000810772273	670496664	/nfs/dbraw/zinc/49/66/64/670496664.db2.gz	YAXGPVUPJHQSIO-LBPRGKRZSA-N	-1	0	314.407	0.493	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccsc1	ZINC000810774844	670496955	/nfs/dbraw/zinc/49/69/55/670496955.db2.gz	STTICUQMAIGMJA-UHFFFAOYSA-N	-1	0	314.388	0.337	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)OC)cc1	ZINC000810775605	670497206	/nfs/dbraw/zinc/49/72/06/670497206.db2.gz	MOEFVZODBWJBRR-UHFFFAOYSA-N	-1	0	323.370	0.875	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C1CCCC1	ZINC000810777585	670497217	/nfs/dbraw/zinc/49/72/17/670497217.db2.gz	FOCSHZZHUGXCGA-SNVBAGLBSA-N	-1	0	300.380	0.151	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)nc1	ZINC000810775682	670497245	/nfs/dbraw/zinc/49/72/45/670497245.db2.gz	PTDVRLAUBQVHFG-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1=NN(CC(C)C)C(=O)CC1	ZINC000810777308	670497259	/nfs/dbraw/zinc/49/72/59/670497259.db2.gz	ZEVUOPDJLLCWLV-UHFFFAOYSA-N	-1	0	313.379	0.090	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(C)c1Br	ZINC000810777917	670497316	/nfs/dbraw/zinc/49/73/16/670497316.db2.gz	QQNKMSVNXDLDRD-UHFFFAOYSA-N	-1	0	320.168	0.266	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(-c2nc[nH]n2)c1	ZINC000810778915	670497407	/nfs/dbraw/zinc/49/74/07/670497407.db2.gz	RBHAOEQUYMTOBL-UHFFFAOYSA-N	-1	0	304.331	0.555	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(=O)OC)C1	ZINC000810782903	670497710	/nfs/dbraw/zinc/49/77/10/670497710.db2.gz	WMBIPMJCTSWECD-MNOVXSKESA-N	-1	0	301.364	0.435	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1NC	ZINC000810781297	670497808	/nfs/dbraw/zinc/49/78/08/670497808.db2.gz	NGXUHUCGESKWFS-UHFFFAOYSA-N	-1	0	311.319	0.719	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(CC(F)(F)F)c1	ZINC000810785149	670498010	/nfs/dbraw/zinc/49/80/10/670498010.db2.gz	ZAJIVVSSRJDLFL-UHFFFAOYSA-N	-1	0	309.269	0.528	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccncc1	ZINC000810785512	670498078	/nfs/dbraw/zinc/49/80/78/670498078.db2.gz	KMRLDBDDHVZLQW-UHFFFAOYSA-N	-1	0	318.358	0.565	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(C(C)=O)C2)CC1	ZINC000810983661	670501865	/nfs/dbraw/zinc/50/18/65/670501865.db2.gz	WVRBUGPPCQEQQL-LBPRGKRZSA-N	-1	0	314.407	0.800	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000847174917	670523856	/nfs/dbraw/zinc/52/38/56/670523856.db2.gz	WLTMGEQUVJWVES-LBPRGKRZSA-N	-1	0	301.302	0.534	20	30		DCEDRM
C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(C)(C)C	ZINC000854480239	670575605	/nfs/dbraw/zinc/57/56/05/670575605.db2.gz	ULIQWUOSYFXXIG-GFCCVEGCSA-N	-1	0	310.375	0.817	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc(N(C)C)c(Cl)c1	ZINC000847699754	670592508	/nfs/dbraw/zinc/59/25/08/670592508.db2.gz	VEENPLOBVZHWDM-UHFFFAOYSA-N	-1	0	315.782	0.884	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cnn(C)c1C)OCC	ZINC000813951697	670665095	/nfs/dbraw/zinc/66/50/95/670665095.db2.gz	APOXKYMETXLQOR-NSHDSACASA-N	-1	0	315.395	0.905	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000813989356	670669850	/nfs/dbraw/zinc/66/98/50/670669850.db2.gz	CGTJNJDXILUXGI-UHFFFAOYSA-N	-1	0	308.319	0.620	20	30		DCEDRM
COC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000814232509	670681914	/nfs/dbraw/zinc/68/19/14/670681914.db2.gz	ZNHBOTIADDRFIB-MRVPVSSYSA-N	-1	0	306.278	0.512	20	30		DCEDRM
O=C([O-])COc1ccc(Br)cc1C=NNCCO	ZINC000814941540	670709155	/nfs/dbraw/zinc/70/91/55/670709155.db2.gz	KZWJJLPIZQZYGX-UHFFFAOYSA-N	-1	0	317.139	0.828	20	30		DCEDRM
CO[C@@H]1CS(=O)(=O)C[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000849170830	670762494	/nfs/dbraw/zinc/76/24/94/670762494.db2.gz	VHAMICFIWYFNKO-GYBBNCKOSA-N	-1	0	314.319	0.531	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H](C)COC1CCCC1	ZINC000849218366	670766006	/nfs/dbraw/zinc/76/60/06/670766006.db2.gz	ARFSEYXBKYMGMY-LBPRGKRZSA-N	-1	0	317.407	0.931	20	30		DCEDRM
CCn1nncc1C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000815895525	670770556	/nfs/dbraw/zinc/77/05/56/670770556.db2.gz	WCMONSVFANSXQW-UHFFFAOYSA-N	-1	0	319.346	0.429	20	30		DCEDRM
Cc1c(C([O-])=C(C#N)C(=O)NC(C)C)nnn1-c1ccn(C)n1	ZINC000815909798	670772506	/nfs/dbraw/zinc/77/25/06/670772506.db2.gz	IVDYCHIUQYVUMX-JTQLQIEISA-N	-1	0	315.337	0.156	20	30		DCEDRM
C#CC[C@H]1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC000849331683	670777783	/nfs/dbraw/zinc/77/77/83/670777783.db2.gz	ACXXOKWDWTZQPP-LBPRGKRZSA-N	-1	0	314.407	0.763	20	30		DCEDRM
C#CC[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	ZINC000849331964	670777937	/nfs/dbraw/zinc/77/79/37/670777937.db2.gz	GOKHQBLKDSYLCR-QWHCGFSZSA-N	-1	0	314.407	0.763	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1	ZINC000817114782	670896351	/nfs/dbraw/zinc/89/63/51/670896351.db2.gz	KBEJOWNKKDCADS-QGZVFWFLSA-N	-1	0	314.341	0.607	20	30		DCEDRM
C[C@H]1C(=O)N(N=Cc2ccc(OCC(=O)[O-])cc2)C(=O)N1C	ZINC000857216781	670897205	/nfs/dbraw/zinc/89/72/05/670897205.db2.gz	CQFAYPAMQOWOTI-VIFPVBQESA-N	-1	0	305.290	0.766	20	30		DCEDRM
COC[C@@H](OC)C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000850734773	670937596	/nfs/dbraw/zinc/93/75/96/670937596.db2.gz	DLKLBTLZBWJUFZ-GFCCVEGCSA-N	-1	0	312.347	0.166	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1	ZINC000850810541	670942778	/nfs/dbraw/zinc/94/27/78/670942778.db2.gz	LNJOUEGGHZDHST-NSHDSACASA-N	-1	0	307.375	0.955	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12	ZINC000850913752	670954234	/nfs/dbraw/zinc/95/42/34/670954234.db2.gz	VHEHSLMMHQGHKG-MXWKQRLJSA-N	-1	0	300.380	0.313	20	30		DCEDRM
COCn1nc(C)c(S(=O)(=O)[N-]c2cnn(CC#N)c2)c1C	ZINC000818047555	670964718	/nfs/dbraw/zinc/96/47/18/670964718.db2.gz	BLEWYAVHAXQTMR-UHFFFAOYSA-N	-1	0	324.366	0.625	20	30		DCEDRM
COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000851497991	670992314	/nfs/dbraw/zinc/99/23/14/670992314.db2.gz	KXIHNJDLNVKPNA-UHFFFAOYSA-N	-1	0	312.347	0.279	20	30		DCEDRM
CC1(C)CC[C@@H]1NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000858455988	671006189	/nfs/dbraw/zinc/00/61/89/671006189.db2.gz	AQULFKGZANYHIO-NSHDSACASA-N	-1	0	317.349	0.575	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)C[C@@H](OCC)C1CC1)C(=O)OC	ZINC000859187802	671080373	/nfs/dbraw/zinc/08/03/73/671080373.db2.gz	SZPOGCVQJVJZCS-VXGBXAGGSA-N	-1	0	303.380	0.286	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)s1	ZINC000819750274	671137749	/nfs/dbraw/zinc/13/77/49/671137749.db2.gz	BXTLYDHYPLAQKL-ZETCQYMHSA-N	-1	0	302.319	0.553	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCc1nnc2n1CCCC2	ZINC000819835524	671140837	/nfs/dbraw/zinc/14/08/37/671140837.db2.gz	WEFUVGSBMPNMER-OAHLLOKOSA-N	-1	0	319.365	0.668	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)[N-]S(C)(=O)=O	ZINC000819934092	671148097	/nfs/dbraw/zinc/14/80/97/671148097.db2.gz	CGKDMLJUUNGYMH-VIFPVBQESA-N	-1	0	319.383	0.649	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)[C@@H](C)COC)CCOCC1	ZINC000820068049	671162071	/nfs/dbraw/zinc/16/20/71/671162071.db2.gz	NFITWHWXUYUNMU-NSHDSACASA-N	-1	0	305.396	0.840	20	30		DCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1ccnc(Br)c1	ZINC000820149120	671172107	/nfs/dbraw/zinc/17/21/07/671172107.db2.gz	LUZAEADJDVWOLR-ZETCQYMHSA-N	-1	0	300.112	0.564	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)OCC	ZINC000853205985	671218743	/nfs/dbraw/zinc/21/87/43/671218743.db2.gz	JLASLPOQBAFEKD-NEPJUHHUSA-N	-1	0	323.411	0.465	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)OCC2(C#N)COC2)cn1	ZINC000860775315	671237063	/nfs/dbraw/zinc/23/70/63/671237063.db2.gz	VYDCKUDBQDRULK-UHFFFAOYSA-N	-1	0	311.319	0.150	20	30		DCEDRM
CCOCC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000861013245	671259651	/nfs/dbraw/zinc/25/96/51/671259651.db2.gz	UYSKKJDGLXZUGI-UHFFFAOYSA-N	-1	0	300.311	0.680	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1ccc2c(c1)COC2	ZINC000821775600	671292265	/nfs/dbraw/zinc/29/22/65/671292265.db2.gz	ZRSHVRVBPDOHDC-UHFFFAOYSA-N	-1	0	311.359	0.865	20	30		DCEDRM
CC(=O)Nc1cccc(Cn2cnc(C#N)c2-c2nn[nH]n2)c1	ZINC000824005147	671415477	/nfs/dbraw/zinc/41/54/77/671415477.db2.gz	LILFNPPSHLNNLO-UHFFFAOYSA-N	-1	0	308.305	0.942	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1c(C)nn(C)c1Cl	ZINC000828390043	671551524	/nfs/dbraw/zinc/55/15/24/671551524.db2.gz	SESIFAVAMXSVLP-SECBINFHSA-N	-1	0	305.787	0.435	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1	ZINC000835227524	671791174	/nfs/dbraw/zinc/79/11/74/671791174.db2.gz	JTFFJMDUBJPQDI-LBPRGKRZSA-N	-1	0	324.402	0.904	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1	ZINC000835275412	671792208	/nfs/dbraw/zinc/79/22/08/671792208.db2.gz	DIOLBLARGFYJIS-MRVPVSSYSA-N	-1	0	302.739	0.578	20	30		DCEDRM
C[C@@H](Oc1ccccn1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000835277136	671792396	/nfs/dbraw/zinc/79/23/96/671792396.db2.gz	XFUBWLDBWDZZIB-SNVBAGLBSA-N	-1	0	311.363	0.845	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C[C@@H]1COc2ccccc2O1	ZINC000835272693	671792400	/nfs/dbraw/zinc/79/24/00/671792400.db2.gz	CKGRCSPLZKOSNO-LLVKDONJSA-N	-1	0	324.358	0.966	20	30		DCEDRM
C=C[C@@H](O)C(=O)OCC(=O)C1([N-]C(=O)C(F)(F)F)CCCC1	ZINC000837748102	671875552	/nfs/dbraw/zinc/87/55/52/671875552.db2.gz	YJGYQXDZEFYCDX-MRVPVSSYSA-N	-1	0	323.267	0.637	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1	ZINC000842311280	672005200	/nfs/dbraw/zinc/00/52/00/672005200.db2.gz	TTXSYPZVAHYMEV-MELADBBJSA-N	-1	0	320.370	0.897	20	30		DCEDRM
CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000842365578	672009082	/nfs/dbraw/zinc/00/90/82/672009082.db2.gz	UBANVSFECNSWJQ-GFCCVEGCSA-N	-1	0	311.363	0.819	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)C2)c1	ZINC000842704143	672029918	/nfs/dbraw/zinc/02/99/18/672029918.db2.gz	CWVSDTIKVQMDSO-LBPRGKRZSA-N	-1	0	306.343	0.873	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1	ZINC000843052947	672056509	/nfs/dbraw/zinc/05/65/09/672056509.db2.gz	PWDQDSCKRNCCCN-YPMHNXCESA-N	-1	0	300.314	0.976	20	30		DCEDRM
CC[C@H](C)C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000844785979	672202598	/nfs/dbraw/zinc/20/25/98/672202598.db2.gz	FDBSTZJDTNTTMC-HBNTYKKESA-N	-1	0	305.400	0.802	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	ZINC000844786548	672202609	/nfs/dbraw/zinc/20/26/09/672202609.db2.gz	BDOPLBWEMCQYSM-MWLCHTKSSA-N	-1	0	303.384	0.556	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)[O-]	ZINC000844787807	672202649	/nfs/dbraw/zinc/20/26/49/672202649.db2.gz	ZWBAPJQQQKSNBT-MNOVXSKESA-N	-1	0	303.384	0.722	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(OCC(=O)[O-])CC1	ZINC000844790656	672202703	/nfs/dbraw/zinc/20/27/03/672202703.db2.gz	AIMGVOWWMUQXHX-JTQLQIEISA-N	-1	0	319.383	0.031	20	30		DCEDRM
C[C@H]1CCCN1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844817816	672204690	/nfs/dbraw/zinc/20/46/90/672204690.db2.gz	QFFOCIWVUCBWPZ-NSHDSACASA-N	-1	0	300.380	0.516	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc2n1[C@H](C)CCC2	ZINC000845439990	672248417	/nfs/dbraw/zinc/24/84/17/672248417.db2.gz	BSNQDRPQEHSQBH-MNOVXSKESA-N	-1	0	304.350	0.865	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000846002300	672287960	/nfs/dbraw/zinc/28/79/60/672287960.db2.gz	MOEXSHYQIKMKCP-UHFFFAOYSA-N	-1	0	317.754	0.558	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccnc1N1CCOCC1	ZINC000846148680	672297401	/nfs/dbraw/zinc/29/74/01/672297401.db2.gz	AEYWXIMAZKBLKQ-UHFFFAOYSA-N	-1	0	320.349	0.481	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1	ZINC000846147669	672297566	/nfs/dbraw/zinc/29/75/66/672297566.db2.gz	ZJFQMHNFHBKRMF-LBPRGKRZSA-N	-1	0	317.345	0.853	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(CC(=O)OC)c1	ZINC000846154830	672297833	/nfs/dbraw/zinc/29/78/33/672297833.db2.gz	QBCOQXUBNMZOAQ-JTQLQIEISA-N	-1	0	306.318	0.963	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1	ZINC000846536885	672326296	/nfs/dbraw/zinc/32/62/96/672326296.db2.gz	ACRUBBCBFVJFQR-CYBMUJFWSA-N	-1	0	320.324	0.870	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000846536758	672326506	/nfs/dbraw/zinc/32/65/06/672326506.db2.gz	YXVNJOUEDFKYOT-NSHDSACASA-N	-1	0	323.374	0.849	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)CNS(=O)(=O)c1c(C)noc1C	ZINC000846663273	672334470	/nfs/dbraw/zinc/33/44/70/672334470.db2.gz	QJIXXGQIDNXBCJ-SSDOTTSWSA-N	-1	0	303.340	0.192	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000739084979	685326768	/nfs/dbraw/zinc/32/67/68/685326768.db2.gz	AQQXTYOLVQXYJI-UHFFFAOYSA-N	-1	0	305.293	0.255	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COCCc2ccccc2)CC1	ZINC000793197280	685343730	/nfs/dbraw/zinc/34/37/30/685343730.db2.gz	NJNCPGLEXNIHES-UHFFFAOYSA-N	-1	0	322.386	0.995	20	30		DCEDRM
COCCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCC1	ZINC000793195516	685343795	/nfs/dbraw/zinc/34/37/95/685343795.db2.gz	MNFXGBKDVVQIGC-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000850928005	685370665	/nfs/dbraw/zinc/37/06/65/685370665.db2.gz	AIPVXFVQTRGLHX-NSHDSACASA-N	-1	0	315.395	0.453	20	30		DCEDRM
C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CC1	ZINC000961684426	688699780	/nfs/dbraw/zinc/69/97/80/688699780.db2.gz	DDIAMTSUFNGTLH-IMRBUKKESA-N	-1	0	317.393	0.803	20	30		DCEDRM
CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000962277114	688870051	/nfs/dbraw/zinc/87/00/51/688870051.db2.gz	FOOIVHLAGOFHFG-IWIIMEHWSA-N	-1	0	312.329	0.612	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001040127407	694494466	/nfs/dbraw/zinc/49/44/66/694494466.db2.gz	SEGDJQVTDOIWRX-XHDPSFHLSA-N	-1	0	318.381	0.484	20	30		DCEDRM
C=CCOCC(=O)N[C@@H](C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001571647461	1162876290	/nfs/dbraw/zinc/87/62/90/1162876290.db2.gz	HCHIMEDRKPZTAO-NSHDSACASA-N	-1	0	323.397	0.430	20	30		DCEDRM
C[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1CCNCC#N	ZINC001691725249	1158964721	/nfs/dbraw/zinc/96/47/21/1158964721.db2.gz	RGCGHMOCJTYDGO-ZJUUUORDSA-N	-1	0	320.353	0.027	20	30		DCEDRM
C[C@@H]1CCC[C@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001448311157	1159731220	/nfs/dbraw/zinc/73/12/20/1159731220.db2.gz	XUCQBUULPBTKQT-MNOVXSKESA-N	-1	0	304.350	0.763	20	30		DCEDRM
C=C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)[O-]	ZINC001609287436	1159814381	/nfs/dbraw/zinc/81/43/81/1159814381.db2.gz	QEQQKGJTZWLFNQ-YUMQZZPRSA-N	-1	0	318.376	0.778	20	30		DCEDRM
CCOCCN(CC)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001565646387	1159889057	/nfs/dbraw/zinc/88/90/57/1159889057.db2.gz	NCUAMICICAWOIT-UHFFFAOYSA-N	-1	0	308.338	0.096	20	30		DCEDRM
Cc1c(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])cnn1CCC#N	ZINC001574114634	1163639844	/nfs/dbraw/zinc/63/98/44/1163639844.db2.gz	XASKBWQARYDFMD-DGCLKSJQSA-N	-1	0	320.349	0.857	20	30		DCEDRM
Cc1c(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)cnn1CCC#N	ZINC001574112601	1163640034	/nfs/dbraw/zinc/64/00/34/1163640034.db2.gz	HZEVJIQQKXDNGX-KGYLQXTDSA-N	-1	0	302.334	0.898	20	30		DCEDRM
Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)Cn1cnc(C#N)n1	ZINC001574172631	1163651183	/nfs/dbraw/zinc/65/11/83/1163651183.db2.gz	IOGCVWSKIKQOOH-LBPRGKRZSA-N	-1	0	313.317	0.790	20	30		DCEDRM
Cn1cc(NC(=O)N2CCN(C(=O)CC#N)CC2)c(C(=O)[O-])c1	ZINC001574213891	1163667408	/nfs/dbraw/zinc/66/74/08/1163667408.db2.gz	XYUKWRYZYURSFR-UHFFFAOYSA-N	-1	0	319.321	0.313	20	30		DCEDRM
N#CCc1cccc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)n1	ZINC001574241051	1163672026	/nfs/dbraw/zinc/67/20/26/1163672026.db2.gz	GIKRPGFVZVZCOT-MWLCHTKSSA-N	-1	0	319.321	0.240	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)nc1	ZINC001574245613	1163673121	/nfs/dbraw/zinc/67/31/21/1163673121.db2.gz	SXFTZIIZWKNZBK-QWHCGFSZSA-N	-1	0	312.285	0.265	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)nc1	ZINC001574249384	1163674751	/nfs/dbraw/zinc/67/47/51/1163674751.db2.gz	HPTVQRMTGWEPJN-UHFFFAOYSA-N	-1	0	309.347	0.829	20	30		DCEDRM
C[C@H](O)C[C@H]1CCCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001575479337	1164029683	/nfs/dbraw/zinc/02/96/83/1164029683.db2.gz	ABOLESRMFGDDDV-VHSXEESVSA-N	-1	0	314.353	0.658	20	30		DCEDRM
CC[C@@]1(CO)CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001577113788	1164606899	/nfs/dbraw/zinc/60/68/99/1164606899.db2.gz	FKEPFWQUFUGXKC-CQSZACIVSA-N	-1	0	314.353	0.517	20	30		DCEDRM
CCc1nc(C)ncc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001578617460	1165069796	/nfs/dbraw/zinc/06/97/96/1165069796.db2.gz	XKLDYJSNKHMYOF-UHFFFAOYSA-N	-1	0	324.308	0.375	20	30		DCEDRM
Cc1ccccc1[C@H](O)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001581252806	1165807047	/nfs/dbraw/zinc/80/70/47/1165807047.db2.gz	AXBSTNFCKCYEQW-GFCCVEGCSA-N	-1	0	322.332	0.982	20	30		DCEDRM
Cn1ncc(Nc2cnc(C#N)c(-c3nnn[n-]3)n2)c1C1CC1	ZINC001581834270	1165885961	/nfs/dbraw/zinc/88/59/61/1165885961.db2.gz	ZTABPAXRVVYRFX-UHFFFAOYSA-N	-1	0	308.309	0.883	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ncc3n2CCCC3)[n-]c1-c1nn[nH]n1	ZINC001581860580	1165892900	/nfs/dbraw/zinc/89/29/00/1165892900.db2.gz	IDIVABGFHGRUQO-UHFFFAOYSA-N	-1	0	324.308	0.247	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2Cc3cccnc3C2)[n-]c1-c1nn[nH]n1	ZINC001581860088	1165893104	/nfs/dbraw/zinc/89/31/04/1165893104.db2.gz	KGBVTGHLLQTWJK-QMMMGPOBSA-N	-1	0	321.304	0.210	20	30		DCEDRM
N#Cc1cc(F)cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1	ZINC001581866802	1165894652	/nfs/dbraw/zinc/89/46/52/1165894652.db2.gz	VSDNDRGPZKEFBZ-UHFFFAOYSA-N	-1	0	313.256	0.108	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CCOCc1ccccc1	ZINC001581860796	1165895395	/nfs/dbraw/zinc/89/53/95/1165895395.db2.gz	TZEZCCGPMXJZPH-UHFFFAOYSA-N	-1	0	310.321	0.734	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCC[C@H]2CCO)nc1-c1nnn[n-]1	ZINC001581882516	1165901266	/nfs/dbraw/zinc/90/12/66/1165901266.db2.gz	BTBSKEQFVYQAAF-DTWKUNHWSA-N	-1	0	300.326	0.491	20	30		DCEDRM
N#Cc1ncc(NC[C@@H](CO)c2ccccc2)nc1-c1nnn[n-]1	ZINC001581883288	1165902252	/nfs/dbraw/zinc/90/22/52/1165902252.db2.gz	UYDPPBQXAVXJLE-NSHDSACASA-N	-1	0	322.332	0.716	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001582996165	1166164180	/nfs/dbraw/zinc/16/41/80/1166164180.db2.gz	HEYOPUKUSGTZLL-ZUZCIYMTSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C#CCOc1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001585979150	1166472752	/nfs/dbraw/zinc/47/27/52/1166472752.db2.gz	UFKOWDPTQBQUDT-UHFFFAOYSA-N	-1	0	324.296	0.471	20	30		DCEDRM
N#CCCN1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1	ZINC001587541796	1166508339	/nfs/dbraw/zinc/50/83/39/1166508339.db2.gz	JKVSTACJDJDAGA-UHFFFAOYSA-N	-1	0	304.306	0.972	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C)cc1S(C)(=O)=O	ZINC001588411090	1166552173	/nfs/dbraw/zinc/55/21/73/1166552173.db2.gz	JPUVPBSOQCFLKJ-UHFFFAOYSA-N	-1	0	324.358	0.950	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(-n2nnnc2C)cc1F)C(=O)[O-]	ZINC001588414634	1166552333	/nfs/dbraw/zinc/55/23/33/1166552333.db2.gz	OYXDAJVQUPNVQE-LBPRGKRZSA-N	-1	0	317.280	0.316	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1c[nH]c(C(F)(F)F)c1)C(=O)[O-]	ZINC001588423401	1166553854	/nfs/dbraw/zinc/55/38/54/1166553854.db2.gz	FOIHBJRQPMRZDF-ZETCQYMHSA-N	-1	0	310.253	0.788	20	30		DCEDRM
C=C(C)CN(CC)C(=O)Cn1cc(C)cc(-c2nnn[n-]2)c1=O	ZINC001588426518	1166554361	/nfs/dbraw/zinc/55/43/61/1166554361.db2.gz	XOECTYSXBPYHAL-UHFFFAOYSA-N	-1	0	316.365	0.761	20	30		DCEDRM
C=CCn1c(-c2ccc(-c3nn[nH]n3)[nH]2)nnc1N(C)OC	ZINC001588696845	1166580596	/nfs/dbraw/zinc/58/05/96/1166580596.db2.gz	QUCPHJKRBIYQFG-UHFFFAOYSA-N	-1	0	301.314	0.637	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1c(C)cccc1-c1nn[nH]n1	ZINC001588727783	1166581162	/nfs/dbraw/zinc/58/11/62/1166581162.db2.gz	IXKXSESEEQHJCD-SECBINFHSA-N	-1	0	309.351	0.000	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)cn1	ZINC001588725672	1166582701	/nfs/dbraw/zinc/58/27/01/1166582701.db2.gz	KPEDCQSLYWHUBG-CABZTGNLSA-N	-1	0	300.322	0.583	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001588728646	1166582726	/nfs/dbraw/zinc/58/27/26/1166582726.db2.gz	UHMAYBZTBKKVNI-PWSUYJOCSA-N	-1	0	301.306	0.646	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(C)c(-c2nn[nH]n2)cn1	ZINC001588727754	1166583032	/nfs/dbraw/zinc/58/30/32/1166583032.db2.gz	IAQFSWMOBJTNFZ-PWSUYJOCSA-N	-1	0	300.322	0.643	20	30		DCEDRM
C[C@H](C(=O)N(CCC#N)CC1CC1)n1cnc(-c2nnn[n-]2)n1	ZINC001588943678	1166622595	/nfs/dbraw/zinc/62/25/95/1166622595.db2.gz	YTXFPOBSQAKLLQ-SECBINFHSA-N	-1	0	315.341	0.171	20	30		DCEDRM
CC(C)(CC#N)CNS(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001589267194	1166642632	/nfs/dbraw/zinc/64/26/32/1166642632.db2.gz	KPUGHWPLBGTUJF-UHFFFAOYSA-N	-1	0	321.366	0.480	20	30		DCEDRM
C[C@H](CC#N)N(C)Cc1cc(=O)n2[n-]cc(-c3nn[nH]n3)c2n1	ZINC001589786703	1166687290	/nfs/dbraw/zinc/68/72/90/1166687290.db2.gz	BACPRHSKLMAMER-MRVPVSSYSA-N	-1	0	313.325	0.349	20	30		DCEDRM
C[C@@H](O)[C@@H]1CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001589995089	1166740172	/nfs/dbraw/zinc/74/01/72/1166740172.db2.gz	JIYAOAGZBDFPMT-RKDXNWHRSA-N	-1	0	300.326	0.126	20	30		DCEDRM
C[C@H](O)[C@H]1CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001589995088	1166740913	/nfs/dbraw/zinc/74/09/13/1166740913.db2.gz	JIYAOAGZBDFPMT-IUCAKERBSA-N	-1	0	300.326	0.126	20	30		DCEDRM
C[C@H]1CCC[C@@H](CNc2cnc(-c3nn[nH]n3)c(C#N)n2)O1	ZINC001590241932	1166823551	/nfs/dbraw/zinc/82/35/51/1166823551.db2.gz	IWDNITZRCKKWKA-IUCAKERBSA-N	-1	0	300.326	0.898	20	30		DCEDRM
COC1(CN=Nc2oc(C)nc2-c2nnn[n-]2)CCOCC1	ZINC001591340305	1167221661	/nfs/dbraw/zinc/22/16/61/1167221661.db2.gz	NJRPWEGQBFFYNL-UHFFFAOYSA-N	-1	0	307.314	0.756	20	30		DCEDRM
COc1ncc(NC(=O)NC[C@@H](C)C#N)cc1-c1nn[nH]n1	ZINC001591664521	1167343541	/nfs/dbraw/zinc/34/35/41/1167343541.db2.gz	LWJDCJLKTJKTEW-ZETCQYMHSA-N	-1	0	302.298	0.551	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)N1CCCC[C@H]1C	ZINC001592335400	1167490186	/nfs/dbraw/zinc/49/01/86/1167490186.db2.gz	QWKQVWUUWNEVLR-SECBINFHSA-N	-1	0	314.353	0.644	20	30		DCEDRM
Cc1ccc(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)cc1C#N	ZINC001600426939	1168182111	/nfs/dbraw/zinc/18/21/11/1168182111.db2.gz	JBVAFIAMFAGPEM-UHFFFAOYSA-N	-1	0	323.312	0.906	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)c1C#N	ZINC001600538695	1168196931	/nfs/dbraw/zinc/19/69/31/1168196931.db2.gz	PDUNNNYGILHEDU-UHFFFAOYSA-N	-1	0	301.302	0.929	20	30		DCEDRM
Cn1cc(C#N)c(=O)n(Cc2cccc(C(=O)[O-])c2Cl)c1=O	ZINC001600927642	1168511496	/nfs/dbraw/zinc/51/14/96/1168511496.db2.gz	XXXLXVCKGUVJBF-UHFFFAOYSA-N	-1	0	319.704	0.819	20	30		DCEDRM
Cn1nc(C(F)(F)F)cc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001601007176	1168560088	/nfs/dbraw/zinc/56/00/88/1168560088.db2.gz	QROXNKYIURAYHE-UHFFFAOYSA-N	-1	0	304.228	0.879	20	30		DCEDRM
Cn1ncc(CCCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001601026008	1168570053	/nfs/dbraw/zinc/57/00/53/1168570053.db2.gz	ATDACCBUSNGAIU-UHFFFAOYSA-N	-1	0	320.353	0.148	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001601033830	1168573289	/nfs/dbraw/zinc/57/32/89/1168573289.db2.gz	RZOXXLUVZGWSJB-AWEZNQCLSA-N	-1	0	313.313	0.320	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCCOc2cccnc2)CC1	ZINC001601052074	1168577638	/nfs/dbraw/zinc/57/76/38/1168577638.db2.gz	LKMCQMLCNMJWSB-UHFFFAOYSA-N	-1	0	318.333	0.860	20	30		DCEDRM
N#C[C@@H]1CCCN(S(=O)(=O)c2csnc2C(=O)[O-])C1	ZINC001601060721	1168578914	/nfs/dbraw/zinc/57/89/14/1168578914.db2.gz	IFKMOZYOPLTHGB-ZETCQYMHSA-N	-1	0	301.349	0.766	20	30		DCEDRM
N#CC[C@@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)C(F)(F)F	ZINC001601061863	1168579365	/nfs/dbraw/zinc/57/93/65/1168579365.db2.gz	IGDCLMSELSODQX-HTQZYQBOSA-N	-1	0	309.244	0.716	20	30		DCEDRM
N#CCCCOc1cccnc1NC(=O)NCCOCC(=O)[O-]	ZINC001601065544	1168579826	/nfs/dbraw/zinc/57/98/26/1168579826.db2.gz	NHRZHECCQNVPLZ-UHFFFAOYSA-N	-1	0	322.321	0.987	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001601063418	1168580045	/nfs/dbraw/zinc/58/00/45/1168580045.db2.gz	RIFLRSODSNJWQG-VIFPVBQESA-N	-1	0	314.294	0.437	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CNC(=O)Cc1ccccc1	ZINC001601069911	1168580987	/nfs/dbraw/zinc/58/09/87/1168580987.db2.gz	HCIJGXMSTNJUSS-UHFFFAOYSA-N	-1	0	303.318	0.172	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)C[C@@H]1NC(=O)c2ccccc21	ZINC001601069802	1168581066	/nfs/dbraw/zinc/58/10/66/1168581066.db2.gz	GSGOMDGYTWCTJC-LBPRGKRZSA-N	-1	0	301.302	0.688	20	30		DCEDRM
N#CCN1CCC(NC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	ZINC001601073508	1168581619	/nfs/dbraw/zinc/58/16/19/1168581619.db2.gz	YXHHRNSMXXHPPB-GMXABZIVSA-N	-1	0	306.366	0.527	20	30		DCEDRM
N#CCNCCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001601074837	1168582133	/nfs/dbraw/zinc/58/21/33/1168582133.db2.gz	SKDLAOYRZJDFAI-HUUCEWRRSA-N	-1	0	315.373	0.892	20	30		DCEDRM
N#C[C@]12CN(Cc3cccc(C(=O)[O-])n3)C[C@H]1CS(=O)(=O)C2	ZINC001601079397	1168582703	/nfs/dbraw/zinc/58/27/03/1168582703.db2.gz	BJFFWSTUFAQRGU-IINYFYTJSA-N	-1	0	321.358	0.150	20	30		DCEDRM
N#CCc1cccc2c1CCN(CN1C[C@@H](C(=O)[O-])OC1=O)C2	ZINC001601078020	1168583039	/nfs/dbraw/zinc/58/30/39/1168583039.db2.gz	NEPQVTLNMIUKRB-AWEZNQCLSA-N	-1	0	315.329	0.974	20	30		DCEDRM
N#CCc1cccc(NC(=O)NC[C@@]2(C(=O)[O-])CCOC2)n1	ZINC001601078305	1168583088	/nfs/dbraw/zinc/58/30/88/1168583088.db2.gz	SCBXZXQWBGEHBY-AWEZNQCLSA-N	-1	0	304.306	0.760	20	30		DCEDRM
N#Cc1c(NC(=O)c2ccoc2CC(=O)[O-])nc2n1CCOC2	ZINC001601084239	1168583332	/nfs/dbraw/zinc/58/33/32/1168583332.db2.gz	OULJHVMYWLNWQY-UHFFFAOYSA-N	-1	0	316.273	0.757	20	30		DCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1	ZINC001601088698	1168583453	/nfs/dbraw/zinc/58/34/53/1168583453.db2.gz	DMWUJRXYNVDQJG-WDEREUQCSA-N	-1	0	314.294	0.218	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)o1	ZINC001601092649	1168584050	/nfs/dbraw/zinc/58/40/50/1168584050.db2.gz	PZTJQJDPDUOYLT-OAHLLOKOSA-N	-1	0	319.317	0.153	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])c(F)c1	ZINC001601093968	1168584158	/nfs/dbraw/zinc/58/41/58/1168584158.db2.gz	KIZKRHHXXFSPNO-NSHDSACASA-N	-1	0	308.265	0.643	20	30		DCEDRM
N#Cc1ccc(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)nc1	ZINC001601094508	1168584494	/nfs/dbraw/zinc/58/44/94/1168584494.db2.gz	MLSWZEHKEWUKJN-GFCCVEGCSA-N	-1	0	317.301	0.576	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)CN2CCOCC2)C(=O)[O-])cc1	ZINC001601096012	1168584703	/nfs/dbraw/zinc/58/47/03/1168584703.db2.gz	KIGMNSYFBFEBFU-CQSZACIVSA-N	-1	0	304.302	0.559	20	30		DCEDRM
N#Cc1ccc(CCC(=O)NCCn2cc(C(=O)[O-])nn2)cc1	ZINC001601099364	1168584832	/nfs/dbraw/zinc/58/48/32/1168584832.db2.gz	LLBUAQCDFCXYPF-UHFFFAOYSA-N	-1	0	313.317	0.597	20	30		DCEDRM
N#Cc1ccc(F)cc1CNCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001601105677	1168585198	/nfs/dbraw/zinc/58/51/98/1168585198.db2.gz	CYPLWOOWJCQHNX-STQMWFEESA-N	-1	0	305.309	0.624	20	30		DCEDRM
N#Cc1ccc(F)cc1CNCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001601105675	1168585586	/nfs/dbraw/zinc/58/55/86/1168585586.db2.gz	CYPLWOOWJCQHNX-OLZOCXBDSA-N	-1	0	305.309	0.624	20	30		DCEDRM
N#Cc1ccc(N2CCN(Cn3cnc(C(=O)[O-])n3)CC2)cc1	ZINC001601106634	1168586517	/nfs/dbraw/zinc/58/65/17/1168586517.db2.gz	ZVRXBHCNQINICD-UHFFFAOYSA-N	-1	0	312.333	0.628	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)nc1	ZINC001601110580	1168586739	/nfs/dbraw/zinc/58/67/39/1168586739.db2.gz	FMHMYSUJEISXGN-UHFFFAOYSA-N	-1	0	307.331	0.724	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCCC2)nc1	ZINC001601111263	1168586938	/nfs/dbraw/zinc/58/69/38/1168586938.db2.gz	WBGFMMZUXKOGOQ-UHFFFAOYSA-N	-1	0	309.347	0.971	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)[C@H]2CCNC(=O)C2)C(=O)[O-])c1	ZINC001601119019	1168587008	/nfs/dbraw/zinc/58/70/08/1168587008.db2.gz	TUIIRHJPBVNWKE-AAEUAGOBSA-N	-1	0	302.286	0.753	20	30		DCEDRM
N#Cc1ccncc1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001601128468	1168589286	/nfs/dbraw/zinc/58/92/86/1168589286.db2.gz	NJJKWKIQACMIDU-XHDPSFHLSA-N	-1	0	301.302	0.517	20	30		DCEDRM
N#Cc1ccccc1/C=C/C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001601125991	1168589660	/nfs/dbraw/zinc/58/96/60/1168589660.db2.gz	MCPHSWNYOFRZPF-BUHQSOCUSA-N	-1	0	300.314	0.865	20	30		DCEDRM
N#Cc1ccnc(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)c1	ZINC001601127510	1168589673	/nfs/dbraw/zinc/58/96/73/1168589673.db2.gz	PWVHANKRXLJOGG-GFCCVEGCSA-N	-1	0	317.301	0.576	20	30		DCEDRM
N#Cc1cnc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c(F)c1	ZINC001601130424	1168590992	/nfs/dbraw/zinc/59/09/92/1168590992.db2.gz	OYUCFIZSRCBCRC-OAHLLOKOSA-N	-1	0	320.324	0.458	20	30		DCEDRM
N#Cc1cncc(NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1	ZINC001601130456	1168591277	/nfs/dbraw/zinc/59/12/77/1168591277.db2.gz	HPDQQTXQATUXJF-UWVGGRQHSA-N	-1	0	301.306	0.130	20	30		DCEDRM
N#Cc1cncc(CN2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)c1	ZINC001601131188	1168591463	/nfs/dbraw/zinc/59/14/63/1168591463.db2.gz	RWRCKUGGVVPERV-MRXNPFEDSA-N	-1	0	316.361	0.315	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCN(c2ccnnc2)CC1	ZINC001601132798	1168592494	/nfs/dbraw/zinc/59/24/94/1168592494.db2.gz	DNMKXHWSCZAGQI-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1ncn(CCCN2C(=O)CS/C2=C\C(=O)[O-])c1C#N	ZINC001601135278	1168593146	/nfs/dbraw/zinc/59/31/46/1168593146.db2.gz	NIJQHWIJWVDWAQ-QCDXTXTGSA-N	-1	0	317.330	0.518	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCN(c2cnccn2)CC1	ZINC001601133340	1168593359	/nfs/dbraw/zinc/59/33/59/1168593359.db2.gz	MZVKCTCOUMEUQQ-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1nn([C@@H]2CCCN(CCC(=O)[O-])C2=O)cc1[N+](=O)[O-]	ZINC001601136229	1168594833	/nfs/dbraw/zinc/59/48/33/1168594833.db2.gz	LTUWFMJKHSGNEM-SECBINFHSA-N	-1	0	307.266	0.301	20	30		DCEDRM
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001601279410	1168688746	/nfs/dbraw/zinc/68/87/46/1168688746.db2.gz	OIPGLYBPVKXVCI-HMMHSFKJSA-N	-1	0	321.333	0.272	20	30		DCEDRM
O=C([O-])CC1(NC(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC001601926773	1168937025	/nfs/dbraw/zinc/93/70/25/1168937025.db2.gz	KNAZOJQFFTVZPP-SEYXRHQNSA-N	-1	0	307.306	0.026	20	30		DCEDRM
O=C([O-])C[C@H]1CCCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001601949983	1168945141	/nfs/dbraw/zinc/94/51/41/1168945141.db2.gz	FDYHYIZSIVDNCG-KDGRRTAISA-N	-1	0	321.333	0.369	20	30		DCEDRM
O=C([O-])CNC(=O)Cc1ccc(NC(=O)C#CC2CC2)cc1	ZINC001602071622	1168987213	/nfs/dbraw/zinc/98/72/13/1168987213.db2.gz	QWUFBRIFARNOAH-UHFFFAOYSA-N	-1	0	300.314	0.782	20	30		DCEDRM
C#CC[C@H](COC)NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC001602683487	1169158268	/nfs/dbraw/zinc/15/82/68/1169158268.db2.gz	QJUHYDXKBQLSFS-SNVBAGLBSA-N	-1	0	315.347	0.911	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C(=O)[O-]	ZINC001602687265	1169158314	/nfs/dbraw/zinc/15/83/14/1169158314.db2.gz	LKCTXKQKZHXXCK-CYBMUJFWSA-N	-1	0	315.329	0.801	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCNC(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC001602687945	1169159702	/nfs/dbraw/zinc/15/97/02/1169159702.db2.gz	ZCZQODNYXYIZDW-GFCCVEGCSA-N	-1	0	306.293	0.538	20	30		DCEDRM
C#CC[C@@H](OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C	ZINC001602696577	1169162471	/nfs/dbraw/zinc/16/24/71/1169162471.db2.gz	CIPMUOUQACBWEY-NXEZZACHSA-N	-1	0	303.326	0.610	20	30		DCEDRM
C#CCC1(O)CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001602699619	1169164726	/nfs/dbraw/zinc/16/47/26/1169164726.db2.gz	FKQUJURHMLGSNB-PHIMTYICSA-N	-1	0	301.364	0.030	20	30		DCEDRM
C#CCCCC(=O)NCCN(C)c1ccc(-c2nn[nH]n2)nc1	ZINC001602703933	1169165672	/nfs/dbraw/zinc/16/56/72/1169165672.db2.gz	JZXFVKQSOHXEMX-UHFFFAOYSA-N	-1	0	313.365	0.618	20	30		DCEDRM
C#CCCCc1nnc(N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)n1C	ZINC001602711002	1169166036	/nfs/dbraw/zinc/16/60/36/1169166036.db2.gz	ZHVZADMUOZGMDP-HNNXBMFYSA-N	-1	0	317.349	0.581	20	30		DCEDRM
C#CCCNc1nc(NCCC#C)c([N+](=O)[O-])c(C(=O)[O-])n1	ZINC001602708101	1169166424	/nfs/dbraw/zinc/16/64/24/1169166424.db2.gz	FMCVCBAMHAOWOW-UHFFFAOYSA-N	-1	0	303.278	0.953	20	30		DCEDRM
C#CCN(CC(=O)N[C@H](CF)C(=O)[O-])C(=O)OC(C)(C)C	ZINC001602715496	1169168199	/nfs/dbraw/zinc/16/81/99/1169168199.db2.gz	JUWCUYPYWDBTKZ-SECBINFHSA-N	-1	0	302.302	0.396	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001602725783	1169171827	/nfs/dbraw/zinc/17/18/27/1169171827.db2.gz	HUMHTLBCGGXIER-QWRGUYRKSA-N	-1	0	320.349	0.472	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NCC[C@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001602725627	1169173457	/nfs/dbraw/zinc/17/34/57/1169173457.db2.gz	DHJNHRBFXQOUHE-QWRGUYRKSA-N	-1	0	320.349	0.520	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CCC[C@@]1(C)NC(=O)NC1=O)C(=O)[O-]	ZINC001602749199	1169178325	/nfs/dbraw/zinc/17/83/25/1169178325.db2.gz	DAQGPSOCMZAFIB-LKFCYVNXSA-N	-1	0	311.338	0.290	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001602764846	1169181687	/nfs/dbraw/zinc/18/16/87/1169181687.db2.gz	UFMHPBLWLJPEEK-NXEZZACHSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)[O-]	ZINC001602845761	1169192876	/nfs/dbraw/zinc/19/28/76/1169192876.db2.gz	WELHVJALWNJHTG-IUCAKERBSA-N	-1	0	311.256	0.822	20	30		DCEDRM
C=CCN(CC=C)C(=O)Cn1c(C)nc(-c2nnn[n-]2)c1C#N	ZINC001602850913	1169192931	/nfs/dbraw/zinc/19/29/31/1169192931.db2.gz	ZSFGBEKCHHZJQR-UHFFFAOYSA-N	-1	0	312.337	0.444	20	30		DCEDRM
C=CCCC(=O)N[C@@H]1[C@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@H]21	ZINC001602855798	1169193076	/nfs/dbraw/zinc/19/30/76/1169193076.db2.gz	CBSFEWFLKUGGMB-PJXYFTJBSA-N	-1	0	302.334	0.692	20	30		DCEDRM
C=CCNC(=O)COC(=O)c1cccc(-c2nn[nH]n2)c1C	ZINC001602862508	1169194084	/nfs/dbraw/zinc/19/40/84/1169194084.db2.gz	FYYFCHWWUAIVCX-UHFFFAOYSA-N	-1	0	301.306	0.634	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@]1(OC)CCS(=O)(=O)C1)C(=O)[O-]	ZINC001602863946	1169197029	/nfs/dbraw/zinc/19/70/29/1169197029.db2.gz	VODCUIJDVGELJC-ZWNOBZJWSA-N	-1	0	319.379	0.116	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001602887856	1169200801	/nfs/dbraw/zinc/20/08/01/1169200801.db2.gz	UVHQYVIEQZQSIS-OLZOCXBDSA-N	-1	0	324.377	0.525	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(C(=O)[O-])ccn1	ZINC001602902041	1169201330	/nfs/dbraw/zinc/20/13/30/1169201330.db2.gz	KXDVUNQGOUTKPE-MRVPVSSYSA-N	-1	0	321.289	0.337	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001602902052	1169201411	/nfs/dbraw/zinc/20/14/11/1169201411.db2.gz	MCTOFOVPHNEJKL-MRVPVSSYSA-N	-1	0	324.289	0.843	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001602915806	1169204489	/nfs/dbraw/zinc/20/44/89/1169204489.db2.gz	ZCPDGBUNKNPPTJ-LBPRGKRZSA-N	-1	0	324.358	0.687	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001602924682	1169209752	/nfs/dbraw/zinc/20/97/52/1169209752.db2.gz	AMRCVKCPUQAJLC-MNOVXSKESA-N	-1	0	314.407	0.781	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001602924899	1169209858	/nfs/dbraw/zinc/20/98/58/1169209858.db2.gz	KLASDILMOSZLPV-CYBMUJFWSA-N	-1	0	318.395	0.484	20	30		DCEDRM
C=CCn1c(N2CCO[C@H](CC(=O)[O-])C2)nnc1C(C)(C)C#N	ZINC001602937363	1169212833	/nfs/dbraw/zinc/21/28/33/1169212833.db2.gz	WYYWTRKXUJIQDY-LLVKDONJSA-N	-1	0	319.365	0.945	20	30		DCEDRM
C=CCn1nnnc1SCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC001602940958	1169215092	/nfs/dbraw/zinc/21/50/92/1169215092.db2.gz	UZPORLJKMAHJLJ-VIFPVBQESA-N	-1	0	313.383	0.567	20	30		DCEDRM
C=C[C@H](CO)NC(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1	ZINC001602944580	1169216158	/nfs/dbraw/zinc/21/61/58/1169216158.db2.gz	CBTZLOCHSVUYTM-SECBINFHSA-N	-1	0	317.305	0.634	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001602945245	1169216778	/nfs/dbraw/zinc/21/67/78/1169216778.db2.gz	DFOAERAXDOEKSB-LBPRGKRZSA-N	-1	0	318.329	0.522	20	30		DCEDRM
CC#CCNC(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC001602949463	1169217650	/nfs/dbraw/zinc/21/76/50/1169217650.db2.gz	LHFZKOHEUPJOCN-UHFFFAOYSA-N	-1	0	320.301	0.480	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)c1ccsc1-c1nnn[n-]1	ZINC001602984009	1169224230	/nfs/dbraw/zinc/22/42/30/1169224230.db2.gz	QPWINFHSITZWPK-ZETCQYMHSA-N	-1	0	312.380	0.708	20	30		DCEDRM
C[C@@H](C(=O)N1CCSC[C@H]1CC(=O)[O-])n1cnc(C#N)n1	ZINC001603148041	1169254642	/nfs/dbraw/zinc/25/46/42/1169254642.db2.gz	KITCUATVBLCECS-DTWKUNHWSA-N	-1	0	309.351	0.129	20	30		DCEDRM
C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1	ZINC001603442162	1169305108	/nfs/dbraw/zinc/30/51/08/1169305108.db2.gz	IURVLCPCQIMURG-SSDOTTSWSA-N	-1	0	317.284	0.363	20	30		DCEDRM
CC1(C)CO[C@@H](CNc2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001603790993	1169392062	/nfs/dbraw/zinc/39/20/62/1169392062.db2.gz	AFQGFFTWOMIVMW-MRVPVSSYSA-N	-1	0	300.326	0.755	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC001604062135	1169484468	/nfs/dbraw/zinc/48/44/68/1169484468.db2.gz	ZQYLAZPQIXQBQX-PSASIEDQSA-N	-1	0	307.397	0.015	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H](C)CCCNc1ccnc(C(=O)[O-])n1	ZINC001604132618	1169502187	/nfs/dbraw/zinc/50/21/87/1169502187.db2.gz	MYECUIBTEWMFRF-NXEZZACHSA-N	-1	0	305.338	0.453	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCO1	ZINC001604484499	1169601302	/nfs/dbraw/zinc/60/13/02/1169601302.db2.gz	IRIPHILLNROYTP-NSHDSACASA-N	-1	0	300.292	0.281	20	30		DCEDRM
CC1(C)C[C@@]1(C#N)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001604519019	1169609726	/nfs/dbraw/zinc/60/97/26/1169609726.db2.gz	NNOKBJWQDYZGFN-JTQLQIEISA-N	-1	0	301.349	0.812	20	30		DCEDRM
CC1(C)CCCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)[C@@H]1C#N	ZINC001604536338	1169611285	/nfs/dbraw/zinc/61/12/85/1169611285.db2.gz	WQTSAEATYQSUOZ-NWDGAFQWSA-N	-1	0	321.377	0.850	20	30		DCEDRM
CC1=NO[C@H](CNS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001604617297	1169632271	/nfs/dbraw/zinc/63/22/71/1169632271.db2.gz	CYZCWCNHWNWSQE-JTQLQIEISA-N	-1	0	323.330	0.700	20	30		DCEDRM
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CO1	ZINC001604677383	1169651219	/nfs/dbraw/zinc/65/12/19/1169651219.db2.gz	RAQHETYEJGUXPB-WCBMZHEXSA-N	-1	0	310.331	0.712	20	30		DCEDRM
C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001604696701	1169658869	/nfs/dbraw/zinc/65/88/69/1169658869.db2.gz	CGLLUBDUYANJFB-VXGBXAGGSA-N	-1	0	321.377	0.850	20	30		DCEDRM
COC1(CCNc2cnc(C#N)c(-c3nnn[n-]3)n2)CCC1	ZINC001605016752	1169781168	/nfs/dbraw/zinc/78/11/68/1169781168.db2.gz	YSLPLRNNZBVILS-UHFFFAOYSA-N	-1	0	300.326	0.899	20	30		DCEDRM
CCCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(C#N)nn1	ZINC001605316509	1169894048	/nfs/dbraw/zinc/89/40/48/1169894048.db2.gz	WCXLLXCCEPIICD-RYUDHWBXSA-N	-1	0	317.349	0.402	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001605438872	1169921960	/nfs/dbraw/zinc/92/19/60/1169921960.db2.gz	TVKXEHGANHSBTJ-MNOVXSKESA-N	-1	0	303.384	0.700	20	30		DCEDRM
Cc1c(C(=O)Nc2n[nH]cc2-c2nn[nH]n2)cnn1CCC#N	ZINC001605480937	1169934591	/nfs/dbraw/zinc/93/45/91/1169934591.db2.gz	XDPYTMDGWWKSLV-UHFFFAOYSA-N	-1	0	312.297	0.261	20	30		DCEDRM
CCc1ccc(C#CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	ZINC001605803747	1170005985	/nfs/dbraw/zinc/00/59/85/1170005985.db2.gz	ACXGZUSVNCMCAJ-AWEZNQCLSA-N	-1	0	314.341	0.402	20	30		DCEDRM
CN(C)S(=O)(=O)N(CC#N)Cc1ccc(C(=O)[O-])c(F)c1	ZINC001606039510	1170061423	/nfs/dbraw/zinc/06/14/23/1170061423.db2.gz	WNDSYOHRWLDBRA-UHFFFAOYSA-N	-1	0	315.326	0.656	20	30		DCEDRM
CN(CCCNc1ccc(C#N)cn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001606122311	1170085088	/nfs/dbraw/zinc/08/50/88/1170085088.db2.gz	GOIHZERLDWLHPP-VXGBXAGGSA-N	-1	0	302.334	0.934	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C#N)CCCC1	ZINC001606326413	1170159422	/nfs/dbraw/zinc/15/94/22/1170159422.db2.gz	WTCUZQYSIXFHIT-SECBINFHSA-N	-1	0	318.351	0.006	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001606344603	1170163576	/nfs/dbraw/zinc/16/35/76/1170163576.db2.gz	OIJUXWPAGPKVJL-CQSZACIVSA-N	-1	0	300.297	0.873	20	30		DCEDRM
N#Cc1nc(NC(=O)C[C@H]2CCCOC2)[n-]c1-c1nn[nH]n1	ZINC001606354479	1170167723	/nfs/dbraw/zinc/16/77/23/1170167723.db2.gz	JGSYVUGZQUGSHS-SSDOTTSWSA-N	-1	0	302.298	0.217	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)Nc1c[nH]nc1-c1nnn[n-]1	ZINC001606385417	1170176742	/nfs/dbraw/zinc/17/67/42/1170176742.db2.gz	WTDDSHTUAXYGRC-UHFFFAOYSA-N	-1	0	310.277	0.479	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)s2)C[C@@H]1C(=O)[O-]	ZINC001606419828	1170192813	/nfs/dbraw/zinc/19/28/13/1170192813.db2.gz	GBTARFFVHQGNKF-DTWKUNHWSA-N	-1	0	308.315	0.566	20	30		DCEDRM
COC(=O)c1coc(/C=C/C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001606629992	1170247613	/nfs/dbraw/zinc/24/76/13/1170247613.db2.gz	CPFVUSXLCDLFBH-NSCUHMNNSA-N	-1	0	306.274	0.906	20	30		DCEDRM
COc1c(NC(=O)C(=O)NCC2(C#N)CC2)cccc1C(=O)[O-]	ZINC001607027669	1170361039	/nfs/dbraw/zinc/36/10/39/1170361039.db2.gz	LMBIKQUDCGKTMJ-UHFFFAOYSA-N	-1	0	317.301	0.752	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001607065386	1170376847	/nfs/dbraw/zinc/37/68/47/1170376847.db2.gz	OZPZLPXPQRPCNT-RNCFNFMXSA-N	-1	0	304.302	0.881	20	30		DCEDRM
COc1cc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)ccc1C#N	ZINC001607068198	1170377946	/nfs/dbraw/zinc/37/79/46/1170377946.db2.gz	KTFARNZSSXNCCG-RYUDHWBXSA-N	-1	0	304.302	0.474	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)c1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC001607459491	1170459552	/nfs/dbraw/zinc/45/95/52/1170459552.db2.gz	BVVCWRLBXNTBHO-BQBZGAKWSA-N	-1	0	324.724	0.314	20	30		DCEDRM
Cc1c(C(=O)[O-])cc(C=Nn2cnc3c(cnn3C)c2=O)n1C	ZINC001607511536	1170470776	/nfs/dbraw/zinc/47/07/76/1170470776.db2.gz	SIWPWROCZRGYPO-UHFFFAOYSA-N	-1	0	314.305	0.357	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@](O)(CC#N)C1	ZINC001607746639	1170502313	/nfs/dbraw/zinc/50/23/13/1170502313.db2.gz	NWXDRDCDBWIPOS-CQSZACIVSA-N	-1	0	324.358	0.732	20	30		DCEDRM
Cc1nc(N(CCN2CCOCC2)CC(=O)[O-])ccc1C#N	ZINC001607961527	1170534181	/nfs/dbraw/zinc/53/41/81/1170534181.db2.gz	ULRGDKNUWCSBMG-UHFFFAOYSA-N	-1	0	304.350	0.485	20	30		DCEDRM
N#C[C@@]1(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])CCCOC1	ZINC001608172674	1170609216	/nfs/dbraw/zinc/60/92/16/1170609216.db2.gz	ZVLMYQIIIAZAST-MFKMUULPSA-N	-1	0	309.347	0.575	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCSC[C@H]2CC(=O)[O-])CC1	ZINC001608175584	1170609125	/nfs/dbraw/zinc/60/91/25/1170609125.db2.gz	JXRLGUYOYHWZSA-SECBINFHSA-N	-1	0	304.393	0.512	20	30		DCEDRM
N#CC1(CS(=O)(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)CC1	ZINC001608175714	1170609208	/nfs/dbraw/zinc/60/92/08/1170609208.db2.gz	MHVVLIGECHRRIG-LLVKDONJSA-N	-1	0	316.379	0.576	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)c2cc3n(n2)CCCO3)CC1	ZINC001608173543	1170609598	/nfs/dbraw/zinc/60/95/98/1170609598.db2.gz	YEMVMKTULUUUNF-UHFFFAOYSA-N	-1	0	304.306	0.496	20	30		DCEDRM
N#CC[C@H](C(=O)NCCC(=O)NCCC(=O)[O-])c1ccccc1	ZINC001608177828	1170610116	/nfs/dbraw/zinc/61/01/16/1170610116.db2.gz	FMRAQGURTQCDNM-ZDUSSCGKSA-N	-1	0	317.345	0.781	20	30		DCEDRM
N#CCCCCCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC001608180609	1170611037	/nfs/dbraw/zinc/61/10/37/1170611037.db2.gz	VJDZPSMFZUNGJQ-LLVKDONJSA-N	-1	0	316.379	0.561	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1nscc1Br	ZINC001608183121	1170611624	/nfs/dbraw/zinc/61/16/24/1170611624.db2.gz	BHRYDTAWOJTFJA-UHFFFAOYSA-N	-1	0	304.125	0.956	20	30		DCEDRM
N#Cc1c(F)cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1F	ZINC001608192539	1170613490	/nfs/dbraw/zinc/61/34/90/1170613490.db2.gz	RVCVIOFZQMZVRA-LBPRGKRZSA-N	-1	0	320.255	0.985	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001608198298	1170613812	/nfs/dbraw/zinc/61/38/12/1170613812.db2.gz	YNNQSTVNZADGKW-NSHDSACASA-N	-1	0	317.276	0.925	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)ccc1F	ZINC001608198173	1170614195	/nfs/dbraw/zinc/61/41/95/1170614195.db2.gz	RJYQDBKLEDCXIY-IAZYJMLFSA-N	-1	0	317.276	0.425	20	30		DCEDRM
N#Cc1ccc(F)c(CN2C(=O)N[C@H](CCC(=O)[O-])C2=O)c1	ZINC001608206034	1170614748	/nfs/dbraw/zinc/61/47/48/1170614748.db2.gz	AMNIEHDYQWMVPW-LLVKDONJSA-N	-1	0	305.265	0.983	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])c1	ZINC001608206227	1170614910	/nfs/dbraw/zinc/61/49/10/1170614910.db2.gz	CXDMHMSPXAFUKD-LLVKDONJSA-N	-1	0	308.265	0.643	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])cc1	ZINC001608200647	1170614994	/nfs/dbraw/zinc/61/49/94/1170614994.db2.gz	NKCBCXWPGZNFTC-GFCCVEGCSA-N	-1	0	304.302	0.894	20	30		DCEDRM
N#Cc1ccc(CNC(=O)Cn2cccc(C(=O)[O-])c2=O)s1	ZINC001608204424	1170615087	/nfs/dbraw/zinc/61/50/87/1170615087.db2.gz	BKLYXZZJATXHFE-UHFFFAOYSA-N	-1	0	317.326	0.796	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N(CCO)C2CC2)c(C(=O)[O-])c1	ZINC001608209857	1170615650	/nfs/dbraw/zinc/61/56/50/1170615650.db2.gz	SZRVQVJPKNBSIX-UHFFFAOYSA-N	-1	0	310.331	0.402	20	30		DCEDRM
N#Cc1ccc(N(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])C2CC2)cn1	ZINC001608208059	1170615684	/nfs/dbraw/zinc/61/56/84/1170615684.db2.gz	ZYBBYCAMXCHRCE-UONOGXRCSA-N	-1	0	314.345	0.759	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)o1	ZINC001608211850	1170616216	/nfs/dbraw/zinc/61/62/16/1170616216.db2.gz	LYNLGFTTYDOXCP-MKHNBGRSSA-N	-1	0	310.331	0.929	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)NCCOCC(=O)[O-])C2	ZINC001608213317	1170617329	/nfs/dbraw/zinc/61/73/29/1170617329.db2.gz	KZQXVDCAFLPAPJ-CYBMUJFWSA-N	-1	0	303.318	0.426	20	30		DCEDRM
N#Cc1cccc(CN2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1	ZINC001608217488	1170617557	/nfs/dbraw/zinc/61/75/57/1170617557.db2.gz	GBTNTDJULRQRRZ-LSDHHAIUSA-N	-1	0	313.357	0.827	20	30		DCEDRM
N#Cc1cccc(CN2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1	ZINC001608217485	1170617611	/nfs/dbraw/zinc/61/76/11/1170617611.db2.gz	GBTNTDJULRQRRZ-CABCVRRESA-N	-1	0	313.357	0.827	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NCCCn1ccc(=O)[nH]c1=O	ZINC001608223964	1170619267	/nfs/dbraw/zinc/61/92/67/1170619267.db2.gz	JPWWKOSPDYRBTJ-UHFFFAOYSA-N	-1	0	315.289	0.416	20	30		DCEDRM
O=C([O-])c1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)cn1	ZINC001608484753	1170687750	/nfs/dbraw/zinc/68/77/50/1170687750.db2.gz	QJTZWBHLVVOUNL-UHFFFAOYSA-N	-1	0	315.285	0.829	20	30		DCEDRM
O=C([O-])C[C@]1(NC(=O)C#Cc2ccc3c(c2)OCO3)CCOC1	ZINC001608681744	1170735387	/nfs/dbraw/zinc/73/53/87/1170735387.db2.gz	LGIIGZCFECLMMN-MRXNPFEDSA-N	-1	0	317.297	0.517	20	30		DCEDRM
O=C([O-])COc1cccc(NC(=O)N[C@@H]2CCCN(O)C2=O)c1	ZINC001608764798	1170752541	/nfs/dbraw/zinc/75/25/41/1170752541.db2.gz	RIBYIAMOHLNUHX-LLVKDONJSA-N	-1	0	323.305	0.652	20	30		DCEDRM
O=C([O-])c1nccc(NC2CCN(C(=O)C#CC3CC3)CC2)n1	ZINC001608999178	1170782987	/nfs/dbraw/zinc/78/29/87/1170782987.db2.gz	PCYAIYSERQWSIQ-UHFFFAOYSA-N	-1	0	314.345	0.413	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)C(=O)[O-]	ZINC001609076518	1170801217	/nfs/dbraw/zinc/80/12/17/1170801217.db2.gz	ORCXFVRYWNOSGK-UWVGGRQHSA-N	-1	0	312.391	0.527	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cnc(C(=O)OC(C)(C)C)cn1)C(=O)[O-]	ZINC001609089133	1170805271	/nfs/dbraw/zinc/80/52/71/1170805271.db2.gz	FTRRPELRXRFVIG-SECBINFHSA-N	-1	0	319.317	0.638	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cnc(C2CCCC2)nc1N)C(=O)[O-]	ZINC001609089873	1170807469	/nfs/dbraw/zinc/80/74/69/1170807469.db2.gz	VHJKANVUWCJQTM-LLVKDONJSA-N	-1	0	302.334	0.923	20	30		DCEDRM
C#CCO[C@H](C)C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1	ZINC001609162111	1170835079	/nfs/dbraw/zinc/83/50/79/1170835079.db2.gz	FNUWFSXZPXODOT-SNVBAGLBSA-N	-1	0	314.301	0.942	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001609267497	1170903544	/nfs/dbraw/zinc/90/35/44/1170903544.db2.gz	WTHZWOYBNNGHIV-SNVBAGLBSA-N	-1	0	322.317	0.406	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC001609264326	1170904379	/nfs/dbraw/zinc/90/43/79/1170904379.db2.gz	LKQPAYNAWMBKSM-QWRGUYRKSA-N	-1	0	300.355	0.851	20	30		DCEDRM
C=C[C@H](O)C(=O)OCc1c(C(=O)[O-])sc(N)c1C(=O)OC	ZINC001609287585	1170913447	/nfs/dbraw/zinc/91/34/47/1170913447.db2.gz	WCQAXRWCNRROBF-LURJTMIESA-N	-1	0	315.303	0.405	20	30		DCEDRM
CO[C@@H](C)c1noc(Cn2cnc(-c3nnn[n-]3)c2C#N)n1	ZINC001609309707	1170927684	/nfs/dbraw/zinc/92/76/84/1170927684.db2.gz	VSDDWTUEVSAQSP-LURJTMIESA-N	-1	0	301.270	0.074	20	30		DCEDRM
COCc1cc(CN=Nc2oc(C)nc2-c2nnn[n-]2)no1	ZINC001609330489	1170943209	/nfs/dbraw/zinc/94/32/09/1170943209.db2.gz	HVWWMCZFVAIQHV-UHFFFAOYSA-N	-1	0	304.270	0.744	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2csc(C(=O)[O-])c2)CC1	ZINC001609398780	1170968209	/nfs/dbraw/zinc/96/82/09/1170968209.db2.gz	HZUUWASKHNNXJN-UHFFFAOYSA-N	-1	0	323.418	0.866	20	30		DCEDRM
CC(C)(NC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C(=O)[O-]	ZINC001609678552	1171065326	/nfs/dbraw/zinc/06/53/26/1171065326.db2.gz	QPJFQKAFVTUDGP-UHFFFAOYSA-N	-1	0	323.280	0.646	20	30		DCEDRM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cnccc2C#N)CC1	ZINC001609734872	1171075885	/nfs/dbraw/zinc/07/58/85/1171075885.db2.gz	DADSHQPYAGROQH-NSHDSACASA-N	-1	0	302.334	0.574	20	30		DCEDRM
C[C@]1(CCC(=O)[O-])NC(=O)N(CN(CC#N)C2CCCC2)C1=O	ZINC001609821440	1171094531	/nfs/dbraw/zinc/09/45/31/1171094531.db2.gz	HAEGPQWDPZKZFR-OAHLLOKOSA-N	-1	0	322.365	0.887	20	30		DCEDRM
COC(=O)COCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001610185338	1171191707	/nfs/dbraw/zinc/19/17/07/1171191707.db2.gz	QTKKGJOVPKQMHW-CYBMUJFWSA-N	-1	0	307.258	0.417	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)c1	ZINC001610432590	1171235195	/nfs/dbraw/zinc/23/51/95/1171235195.db2.gz	JQCGWNJYFZBFAH-UHFFFAOYSA-N	-1	0	301.302	0.786	20	30		DCEDRM
Cc1oc(CN(C)C(=O)[C@@H](C)n2cnc(C#N)n2)cc1C(=O)[O-]	ZINC001610580013	1171259553	/nfs/dbraw/zinc/25/95/53/1171259553.db2.gz	HYVVATYJCMPCAJ-MRVPVSSYSA-N	-1	0	317.305	0.969	20	30		DCEDRM
N#CC1(C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)CCC1	ZINC001610618357	1171270336	/nfs/dbraw/zinc/27/03/36/1171270336.db2.gz	FGKPFKBYBPUOHG-UHFFFAOYSA-N	-1	0	303.322	0.834	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001610620527	1171270800	/nfs/dbraw/zinc/27/08/00/1171270800.db2.gz	IRKNGAFJIORQDB-NSHDSACASA-N	-1	0	316.379	0.576	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@H](C(=O)[O-])C2CC2)c(F)c1	ZINC001610627329	1171272198	/nfs/dbraw/zinc/27/21/98/1171272198.db2.gz	WJXSKMRQJQNNOI-LBPRGKRZSA-N	-1	0	312.322	0.980	20	30		DCEDRM
N#Cc1cc(O)cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1	ZINC001610626602	1171272854	/nfs/dbraw/zinc/27/28/54/1171272854.db2.gz	XDRIXBQVOHPISI-UHFFFAOYSA-N	-1	0	313.273	0.251	20	30		DCEDRM
N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H](CO)C(=O)[O-])C2)c(F)c1	ZINC001610628593	1171272922	/nfs/dbraw/zinc/27/29/22/1171272922.db2.gz	LEVBVBDVVUIDNI-ZYHUDNBSSA-N	-1	0	321.308	0.085	20	30		DCEDRM
O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)C#CC2CC2)c1	ZINC001610784913	1171324184	/nfs/dbraw/zinc/32/41/84/1171324184.db2.gz	XSBVCCIUTJTRAZ-UHFFFAOYSA-N	-1	0	322.342	0.401	20	30		DCEDRM
N#Cc1cccc(OCC(=O)NCCc2n[n-]c(=S)o2)c1	ZINC001617079346	1171383588	/nfs/dbraw/zinc/38/35/88/1171383588.db2.gz	GAKCZOYFXCFLDS-UHFFFAOYSA-N	-1	0	304.331	0.968	20	30		DCEDRM
C=CCCSCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001628761232	1171534708	/nfs/dbraw/zinc/53/47/08/1171534708.db2.gz	GWQXPRGEHXQILU-UHFFFAOYSA-N	-1	0	308.363	0.246	20	30		DCEDRM
CN(CCOCc1ccc(C#N)cc1)C(=O)CCc1nnn[n-]1	ZINC001628968650	1171539109	/nfs/dbraw/zinc/53/91/09/1171539109.db2.gz	QTNSSWJFDWRFDD-UHFFFAOYSA-N	-1	0	314.349	0.679	20	30		DCEDRM
CC(C)C[C@H](C#N)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001631922888	1171605436	/nfs/dbraw/zinc/60/54/36/1171605436.db2.gz	ZEESJDHIQAQLDQ-LLVKDONJSA-N	-1	0	315.333	0.934	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C=Cc2nccs2)c(=O)[n-]c1=O	ZINC001633550421	1171647060	/nfs/dbraw/zinc/64/70/60/1171647060.db2.gz	PXXOJMXZYKQLLA-OWOJBTEDSA-N	-1	0	317.330	0.107	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)n1ncc(C#N)c1N	ZINC001634230032	1171667915	/nfs/dbraw/zinc/66/79/15/1171667915.db2.gz	HEAXYEXJDCVTAD-UHFFFAOYSA-N	-1	0	305.319	0.397	20	30		DCEDRM
CCCC[C@H](ON=C(C)C)C(=O)N[C@H](COC)c1nnn[n-]1	ZINC001634621977	1171681544	/nfs/dbraw/zinc/68/15/44/1171681544.db2.gz	LIQZMVZODWNKOP-MNOVXSKESA-N	-1	0	312.374	0.975	20	30		DCEDRM
CN(CCCNc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccn1	ZINC001640329859	1171876218	/nfs/dbraw/zinc/87/62/18/1171876218.db2.gz	JXRGKBRRSSXXTL-UHFFFAOYSA-N	-1	0	314.349	0.279	20	30		DCEDRM
COC(=O)C[C@H](C)N(OC)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001640843573	1171895264	/nfs/dbraw/zinc/89/52/64/1171895264.db2.gz	SCYSJNQTYNFAHX-VIFPVBQESA-N	-1	0	307.306	0.923	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)c2cnc3n(c2=O)CCS3)c1	ZINC001642625762	1171952121	/nfs/dbraw/zinc/95/21/21/1171952121.db2.gz	XMICEGRYMZAULT-UHFFFAOYSA-N	-1	0	314.326	0.944	20	30		DCEDRM
C#CCO[N-]C(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC	ZINC001645286179	1172034618	/nfs/dbraw/zinc/03/46/18/1172034618.db2.gz	VYCDHXPRBLKMAW-UHFFFAOYSA-N	-1	0	308.246	0.476	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@]2(F)CCOC2)c1	ZINC001645775379	1172134935	/nfs/dbraw/zinc/13/49/35/1172134935.db2.gz	KQHDUCLFYQBGSN-ZDUSSCGKSA-N	-1	0	312.322	0.633	20	30		DCEDRM
N#Cc1cccc(C2(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)CC2)c1	ZINC001647112045	1172681025	/nfs/dbraw/zinc/68/10/25/1172681025.db2.gz	SBCBZRMRLIXHMW-CYBMUJFWSA-N	-1	0	320.370	0.825	20	30		DCEDRM
COC(=O)CCS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1C	ZINC001647228724	1172751510	/nfs/dbraw/zinc/75/15/10/1172751510.db2.gz	LESPTILAHVBPOP-UHFFFAOYSA-N	-1	0	310.331	0.489	20	30		DCEDRM
Cn1ccnc1[C@@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001650232290	1173527285	/nfs/dbraw/zinc/52/72/85/1173527285.db2.gz	COFRHAVAKNWVPK-SNVBAGLBSA-N	-1	0	314.349	0.063	20	30		DCEDRM
C#CCN(C(C)C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC001666303968	1174597036	/nfs/dbraw/zinc/59/70/36/1174597036.db2.gz	SNNRIYCKVCXBMP-UHFFFAOYSA-N	-1	0	322.346	0.468	20	30		DCEDRM
O=C(C#CC1CC1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001673375161	1175198085	/nfs/dbraw/zinc/19/80/85/1175198085.db2.gz	KROBTGFHNFLNDD-GFCCVEGCSA-N	-1	0	303.366	0.394	20	30		DCEDRM
CN(CC#N)C[C@H]1CCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001674491677	1175278340	/nfs/dbraw/zinc/27/83/40/1175278340.db2.gz	QZDVMSOFTYGKCR-SNVBAGLBSA-N	-1	0	315.333	0.988	20	30		DCEDRM
CC#CCCCC(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001689648141	1176990640	/nfs/dbraw/zinc/99/06/40/1176990640.db2.gz	QEGBVYKXIFWVLA-UHFFFAOYSA-N	-1	0	318.377	0.900	20	30		DCEDRM
C=CCCOCC(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001690826646	1177334407	/nfs/dbraw/zinc/33/44/07/1177334407.db2.gz	LOBXOZJQUJSPJC-GFCCVEGCSA-N	-1	0	323.397	0.526	20	30		DCEDRM
CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001692373429	1177499998	/nfs/dbraw/zinc/49/99/98/1177499998.db2.gz	WCEXWCPQKYBVAL-RYUDHWBXSA-N	-1	0	303.366	0.489	20	30		DCEDRM
C=CCCOCC(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001701201563	1178955010	/nfs/dbraw/zinc/95/50/10/1178955010.db2.gz	SDBZTOIVSFBUHF-JTQLQIEISA-N	-1	0	324.381	0.593	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001704232595	1179940625	/nfs/dbraw/zinc/94/06/25/1179940625.db2.gz	MXWKAYCKFJUUSL-VIFPVBQESA-N	-1	0	323.353	0.073	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001705199166	1180293775	/nfs/dbraw/zinc/29/37/75/1180293775.db2.gz	DNDCRYAUYNZEHS-GHMZBOCLSA-N	-1	0	322.365	0.346	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001714634799	1181454407	/nfs/dbraw/zinc/45/44/07/1181454407.db2.gz	VSIFNTQFPPOFBK-NSHDSACASA-N	-1	0	305.382	0.498	20	30		DCEDRM
CC#CCN1CCC[C@](CO)(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001724634302	1184483969	/nfs/dbraw/zinc/48/39/69/1184483969.db2.gz	CPABTMXUHJOPEI-HNNXBMFYSA-N	-1	0	306.366	0.004	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C	ZINC001725626799	1184918541	/nfs/dbraw/zinc/91/85/41/1184918541.db2.gz	QJEXZLNPAJPCFL-RYUDHWBXSA-N	-1	0	323.397	0.572	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001726097374	1185095107	/nfs/dbraw/zinc/09/51/07/1185095107.db2.gz	DRFHPOCPVLRASU-JTQLQIEISA-N	-1	0	318.377	0.660	20	30		DCEDRM
C=CCCC(=O)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001734193303	1186575650	/nfs/dbraw/zinc/57/56/50/1186575650.db2.gz	CCJDSSLSVHRMHI-UHFFFAOYSA-N	-1	0	305.382	0.901	20	30		DCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)nc1	ZINC000194412569	1188157427	/nfs/dbraw/zinc/15/74/27/1188157427.db2.gz	MTLZPRTUCZPYMP-LLVKDONJSA-N	-1	0	302.334	0.809	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001744444500	1188208572	/nfs/dbraw/zinc/20/85/72/1188208572.db2.gz	ZXVGVKBUGVEKQF-WMFXKJRFSA-N	-1	0	322.365	0.128	20	30		DCEDRM
C=C[C@H](CC)CC(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001744711792	1188229810	/nfs/dbraw/zinc/22/98/10/1188229810.db2.gz	VTUJWSSSWRQIFD-RKDXNWHRSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cc1	ZINC001754318553	1188819376	/nfs/dbraw/zinc/81/93/76/1188819376.db2.gz	HSEVTZMYAFFWCN-NSHDSACASA-N	-1	0	313.361	0.742	20	30		DCEDRM
C#CCN(C(=O)[C@H](F)CC)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001754639362	1188895741	/nfs/dbraw/zinc/89/57/41/1188895741.db2.gz	FNMHIEQYUMWOHE-GFCCVEGCSA-N	-1	0	323.372	0.685	20	30		DCEDRM
C=CCOCC(=O)NC1CC2(C1)CC(NC(=O)c1cn[nH]n1)C2	ZINC001757894047	1189576877	/nfs/dbraw/zinc/57/68/77/1189576877.db2.gz	XMNILQHOTPQUFV-UHFFFAOYSA-N	-1	0	319.365	0.165	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](NC(=O)c1cn[nH]n1)C1CC1	ZINC001758635166	1189944622	/nfs/dbraw/zinc/94/46/22/1189944622.db2.gz	ABAWWJJILNOPNT-WZRBSPASSA-N	-1	0	319.365	0.020	20	30		DCEDRM
Cn1cc(C(N)=O)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n1	ZINC001771715824	1190476737	/nfs/dbraw/zinc/47/67/37/1190476737.db2.gz	YDSKSKWMPHFRRD-UHFFFAOYSA-N	-1	0	323.309	0.331	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC(Cc3cccs3)C2)c(C#N)c1=O	ZINC001772120129	1190611700	/nfs/dbraw/zinc/61/17/00/1190611700.db2.gz	QECGRYGTPVQLPW-UHFFFAOYSA-N	-1	0	302.359	0.686	20	30		DCEDRM
CN1C[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)Cc2ccccc21	ZINC001772119567	1190611821	/nfs/dbraw/zinc/61/18/21/1190611821.db2.gz	KTZPUTRAIJXWET-LLVKDONJSA-N	-1	0	311.345	0.418	20	30		DCEDRM
N#CCC(=O)Nc1nc2ccccc2nc1N[C@@H]1CO[N-]C1=O	ZINC001167512615	747348905	/nfs/dbraw/zinc/34/89/05/747348905.db2.gz	ACMYRAVKJZXSIM-SNVBAGLBSA-N	-1	0	312.289	0.324	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CNc2ncccc2C#N)c1[O-]	ZINC001107688726	752222183	/nfs/dbraw/zinc/22/21/83/752222183.db2.gz	MBKZYGXKDCYACW-MRVPVSSYSA-N	-1	0	300.322	0.921	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CNc2cncc(C#N)n2)c1[O-]	ZINC001107688480	752222519	/nfs/dbraw/zinc/22/25/19/752222519.db2.gz	JZXQBWOJGJVOKR-SSDOTTSWSA-N	-1	0	301.310	0.316	20	30		DCEDRM
C=CC(=O)OC[C@@H](COC(=O)C(=C)C)OCCS(=O)(=O)[O-]	ZINC001224568583	750130819	/nfs/dbraw/zinc/13/08/19/750130819.db2.gz	LWBXPSKRVQBIAD-JTQLQIEISA-N	-1	0	322.335	0.108	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001060289622	750473550	/nfs/dbraw/zinc/47/35/50/750473550.db2.gz	QFHDNBWGKGUSSM-ONGXEEELSA-N	-1	0	319.365	0.552	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001071788188	762137726	/nfs/dbraw/zinc/13/77/26/762137726.db2.gz	VOFMRXPKJGVUJF-MWLCHTKSSA-N	-1	0	306.366	0.967	20	30		DCEDRM
C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001046247240	753585697	/nfs/dbraw/zinc/58/56/97/753585697.db2.gz	CNQOPMAQQUHEFV-CQSZACIVSA-N	-1	0	315.337	0.104	20	30		DCEDRM
C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O	ZINC001048510645	754783752	/nfs/dbraw/zinc/78/37/52/754783752.db2.gz	QPJHKCWHCHVIEI-QWRGUYRKSA-N	-1	0	322.365	0.034	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)c2ncccc2C#N)c1[O-]	ZINC001113551345	762380844	/nfs/dbraw/zinc/38/08/44/762380844.db2.gz	GRIZVEXZQRASMH-SECBINFHSA-N	-1	0	314.349	0.945	20	30		DCEDRM
C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])O2	ZINC001053589617	756107678	/nfs/dbraw/zinc/10/76/78/756107678.db2.gz	MRPQMMAFAYHEFR-GFCCVEGCSA-N	-1	0	320.393	0.963	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCCC[C@H]2CNC(=O)[C@@H](C)C#N)c1[O-]	ZINC001082006190	756897752	/nfs/dbraw/zinc/89/77/52/756897752.db2.gz	FODOYAPSROVZKB-ONGXEEELSA-N	-1	0	319.365	0.694	20	30		DCEDRM
C=CC(C)(C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001084578207	757917079	/nfs/dbraw/zinc/91/70/79/757917079.db2.gz	PLVGPRJNIQRYAQ-GHMZBOCLSA-N	-1	0	305.382	0.755	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)c1[O-]	ZINC001058327730	759893134	/nfs/dbraw/zinc/89/31/34/759893134.db2.gz	DNERCLROHQSKAQ-SNVBAGLBSA-N	-1	0	313.321	0.094	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001070620788	761356736	/nfs/dbraw/zinc/35/67/36/761356736.db2.gz	WDGORWRYUWIGDQ-GFCCVEGCSA-N	-1	0	318.377	0.948	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](C)O[C@]3(CCN(CC#N)C3)C2)c1[O-]	ZINC001071157191	761666410	/nfs/dbraw/zinc/66/64/10/761666410.db2.gz	UKEJPGYBLQLZQZ-BMIGLBTASA-N	-1	0	319.365	0.253	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001132529487	764500987	/nfs/dbraw/zinc/50/09/87/764500987.db2.gz	NJRPQESGIWRQCS-RYUDHWBXSA-N	-1	0	323.397	0.572	20	30		DCEDRM
CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1ccc(C#N)nn1	ZINC001103046343	764920638	/nfs/dbraw/zinc/92/06/38/764920638.db2.gz	RHJPRCWAMVKMJJ-SECBINFHSA-N	-1	0	315.337	0.706	20	30		DCEDRM
CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1cnc(C#N)cn1	ZINC001103046141	764920829	/nfs/dbraw/zinc/92/08/29/764920829.db2.gz	OAEFPZOPBRLWEE-SECBINFHSA-N	-1	0	315.337	0.706	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)c1	ZINC000813984422	765299433	/nfs/dbraw/zinc/29/94/33/765299433.db2.gz	UXSNGYUAEGMCHI-UHFFFAOYSA-N	-1	0	313.298	0.339	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	ZINC001118134511	766233490	/nfs/dbraw/zinc/23/34/90/766233490.db2.gz	SPTCUPXSFPLEJS-QWRGUYRKSA-N	-1	0	304.368	0.057	20	30		DCEDRM
C=C(C)Cn1nnnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC001120090723	766898640	/nfs/dbraw/zinc/89/86/40/766898640.db2.gz	UUZIMYRODONTHX-LLVKDONJSA-N	-1	0	318.303	0.897	20	30		DCEDRM
C[C@H](C[C@@H](C)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NCC#N	ZINC001146509416	767465970	/nfs/dbraw/zinc/46/59/70/767465970.db2.gz	CTJHNHXRMUFGOU-RKDXNWHRSA-N	-1	0	322.331	0.840	20	30		DCEDRM
C[C@H](C[C@H](C)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NCC#N	ZINC001146509412	767466376	/nfs/dbraw/zinc/46/63/76/767466376.db2.gz	CTJHNHXRMUFGOU-BDAKNGLRSA-N	-1	0	322.331	0.840	20	30		DCEDRM
COC(=O)[C@H]1CN(Cc2cc(C#N)ccc2[O-])CCN1C(C)=O	ZINC001232680440	769333006	/nfs/dbraw/zinc/33/30/06/769333006.db2.gz	DJNGPIHUASGETQ-CQSZACIVSA-N	-1	0	317.345	0.470	20	30		DCEDRM
COCC#CCN1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001233634548	769415353	/nfs/dbraw/zinc/41/53/53/769415353.db2.gz	MSCFITGBLUCSDD-GFCCVEGCSA-N	-1	0	306.366	0.220	20	30		DCEDRM
C#Cc1cnc(NC(=O)C(F)(F)C(F)(F)C(=O)[O-])c(C#C)n1	ZINC001180171217	771072850	/nfs/dbraw/zinc/07/28/50/771072850.db2.gz	SELIXDHZTDYNGH-UHFFFAOYSA-N	-1	0	315.182	0.733	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)NC1C(=O)N=CN=C1[O-]	ZINC001180777917	771180360	/nfs/dbraw/zinc/18/03/60/771180360.db2.gz	BLXFQQAKSHBYOX-ZETCQYMHSA-N	-1	0	323.309	0.633	20	30		DCEDRM
N#Cc1cc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c([O-])cc1F	ZINC001183660262	771687898	/nfs/dbraw/zinc/68/78/98/771687898.db2.gz	DDQPKOGEGOTWIM-UHFFFAOYSA-N	-1	0	322.227	0.443	20	30		DCEDRM
O=C(CCC(=O)N1CCN(c2ncncn2)CC1)C1=CC=C[CH]1	ZINC001184243505	771762590	/nfs/dbraw/zinc/76/25/90/771762590.db2.gz	KBZIFMBJQZKSIM-UHFFFAOYSA-N	-1	0	312.353	0.570	20	30		DCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NCCNC(=O)c1ccncc1	ZINC001184244761	771763225	/nfs/dbraw/zinc/76/32/25/771763225.db2.gz	UZOXCXJPPFDVOG-UHFFFAOYSA-N	-1	0	312.349	0.977	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001159587333	771930983	/nfs/dbraw/zinc/93/09/83/771930983.db2.gz	OGJPWASACPQEGS-JTQLQIEISA-N	-1	0	304.354	0.308	20	30		DCEDRM
CC[C@@H](CC#N)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001185623876	771942042	/nfs/dbraw/zinc/94/20/42/771942042.db2.gz	PGYGFXVSXAGHDZ-JTQLQIEISA-N	-1	0	306.351	0.837	20	30		DCEDRM
N#Cc1cc(C#N)c(Nc2c([S-])[nH]c(=O)[nH]c2=O)nc1Cl	ZINC001160848347	772122539	/nfs/dbraw/zinc/12/25/39/772122539.db2.gz	JQHRQVZDWGRFDO-LURJTMIESA-N	-1	0	320.721	0.426	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cc3ccccc3[nH]c2=O)c(C#N)c1=O	ZINC001187920993	772248927	/nfs/dbraw/zinc/24/89/27/772248927.db2.gz	NYZNJZHRNUSINB-UHFFFAOYSA-N	-1	0	323.312	0.811	20	30		DCEDRM
C=CCCCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001189007213	772401292	/nfs/dbraw/zinc/40/12/92/772401292.db2.gz	PTTYHTCTICBXTF-NWDGAFQWSA-N	-1	0	305.382	0.899	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]c2c(CC)n(C)nc2C(N)=O)CC1	ZINC001190776839	772677197	/nfs/dbraw/zinc/67/71/97/772677197.db2.gz	OQYLXAINQUSMBQ-UHFFFAOYSA-N	-1	0	312.395	0.932	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)n1[n-]c2ccnc(=O)c-2c1N	ZINC001192281053	772899574	/nfs/dbraw/zinc/89/95/74/772899574.db2.gz	LUAYCUOHFLUFDN-UHFFFAOYSA-N	-1	0	309.285	0.827	20	30		DCEDRM
COc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193149093	773018705	/nfs/dbraw/zinc/01/87/05/773018705.db2.gz	KXALFBRPHMCPOG-MRVPVSSYSA-N	-1	0	318.376	0.752	20	30		DCEDRM
CNC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193158093	773019299	/nfs/dbraw/zinc/01/92/99/773019299.db2.gz	LVKCPBRCWOTYTC-SECBINFHSA-N	-1	0	306.347	0.880	20	30		DCEDRM
N#CCCCCO[C@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001205665472	773196319	/nfs/dbraw/zinc/19/63/19/773196319.db2.gz	YXWLTQZSPPPNPU-GFCCVEGCSA-N	-1	0	306.384	0.285	20	30		DCEDRM
COc1ncnc([N-]S(=O)(=O)c2cc(C)ccn2)c1C#N	ZINC001197967237	773831089	/nfs/dbraw/zinc/83/10/89/773831089.db2.gz	JDVSDBSTTVDZRZ-UHFFFAOYSA-N	-1	0	305.319	0.861	20	30		DCEDRM
COC(=O)[C@H](CS)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198798508	773985305	/nfs/dbraw/zinc/98/53/05/773985305.db2.gz	DSWUXIDGAYZEHT-QMMMGPOBSA-N	-1	0	319.360	0.135	20	30		DCEDRM
COc1ccc(OC)c(/C(=N/[O-])OC[C@H]2OCCN(C)C2=O)c1	ZINC001223891798	775524198	/nfs/dbraw/zinc/52/41/98/775524198.db2.gz	ULUKQUCRGMODSS-XUVDNFPMSA-N	-1	0	324.333	0.713	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cncc(C)n1	ZINC001224031643	775533265	/nfs/dbraw/zinc/53/32/65/775533265.db2.gz	DSJCHSSSJFJHKP-GFCCVEGCSA-N	-1	0	302.352	0.761	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCC1(C)OCCO1	ZINC001224885148	775616800	/nfs/dbraw/zinc/61/68/00/775616800.db2.gz	IDJSDGPVAIGHOC-LLVKDONJSA-N	-1	0	310.368	0.615	20	30		DCEDRM
COC(=O)CC(CC(=O)OC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226222178	775784690	/nfs/dbraw/zinc/78/46/90/775784690.db2.gz	UTGSEZILZXSIJZ-UHFFFAOYSA-N	-1	0	308.290	0.841	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001226306405	775796291	/nfs/dbraw/zinc/79/62/91/775796291.db2.gz	XOQRPSAARHPDIS-SNVBAGLBSA-N	-1	0	307.258	0.476	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccccc1=O	ZINC001227421392	775973624	/nfs/dbraw/zinc/97/36/24/775973624.db2.gz	OTKOQJSRHHFNEE-LLVKDONJSA-N	-1	0	300.332	0.885	20	30		DCEDRM
CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1nc(=O)[n-]c(=O)[nH]1	ZINC001227569652	775985556	/nfs/dbraw/zinc/98/55/56/775985556.db2.gz	DSLCFWNFDZGCCI-QMMMGPOBSA-N	-1	0	311.370	0.474	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cnccc1[N+](=O)[O-]	ZINC001228881499	776133182	/nfs/dbraw/zinc/13/31/82/776133182.db2.gz	FIKIHPVSCLTCKC-VIFPVBQESA-N	-1	0	318.307	0.828	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccnc1C(N)=O	ZINC001229313671	776179380	/nfs/dbraw/zinc/17/93/80/776179380.db2.gz	MQHWETJICKFJFX-VIFPVBQESA-N	-1	0	316.335	0.018	20	30		DCEDRM
Cc1cc(S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-])ccc1C#N	ZINC001600296812	1168159404	/nfs/dbraw/zinc/15/94/04/1168159404.db2.gz	ICCPWRPWZMIZJK-LLVKDONJSA-N	-1	0	312.347	0.369	20	30		DCEDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@](O)(CC#N)C1	ZINC001600833700	1168479478	/nfs/dbraw/zinc/47/94/78/1168479478.db2.gz	GKPQORGYBPRMFZ-GFCCVEGCSA-N	-1	0	314.319	0.325	20	30		DCEDRM
C=CCN([C@H](C)COC)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001602887258	1169197493	/nfs/dbraw/zinc/19/74/93/1169197493.db2.gz	ODTZBRZOTOOGFY-SNVBAGLBSA-N	-1	0	314.363	0.991	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1	ZINC001602907037	1169202168	/nfs/dbraw/zinc/20/21/68/1169202168.db2.gz	UNOYBYNOBJOEGK-SECBINFHSA-N	-1	0	315.351	0.382	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CC[C@@H](CNCC#N)C2)cc1=O	ZINC001267048596	939323577	/nfs/dbraw/zinc/32/35/77/939323577.db2.gz	YONNBHLDNDYYOR-ZDUSSCGKSA-N	-1	0	319.409	0.337	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001278368498	945253226	/nfs/dbraw/zinc/25/32/26/945253226.db2.gz	BIUCGIMEUVNUDI-NHYWBVRUSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC/C=C\CNCc1nc(=O)n(C)[nH]1	ZINC001268588467	940271217	/nfs/dbraw/zinc/27/12/17/940271217.db2.gz	SBJWFRJRHWFBEC-LZNQSLFOSA-N	-1	0	307.398	0.473	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC/C=C/CNCc1nc(=O)n(C)[nH]1	ZINC001268588460	940271574	/nfs/dbraw/zinc/27/15/74/940271574.db2.gz	SBJWFRJRHWFBEC-KIUWMYQTSA-N	-1	0	307.398	0.473	20	30		DCEDRM
C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001268934302	940409497	/nfs/dbraw/zinc/40/94/97/940409497.db2.gz	BSEDNCQWYIAFJH-RYUDHWBXSA-N	-1	0	303.366	0.489	20	30		DCEDRM
C=CCOCCCC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001270567146	940925868	/nfs/dbraw/zinc/92/58/68/940925868.db2.gz	UDMYHFQQUWEONV-OAHLLOKOSA-N	-1	0	323.397	0.574	20	30		DCEDRM
CC#CCCCC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001270614830	940936343	/nfs/dbraw/zinc/93/63/43/940936343.db2.gz	IUTOANSGALKPJJ-HNNXBMFYSA-N	-1	0	305.382	0.785	20	30		DCEDRM
C=CCN1CCC2(CCN(C(=O)c3cnc[nH]c3=O)CC2)C1=O	ZINC001271629251	941413488	/nfs/dbraw/zinc/41/34/88/941413488.db2.gz	ABTFUPSBRZDMJZ-UHFFFAOYSA-N	-1	0	316.361	0.823	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cc(O)ccc2Cl)c(C#N)c1=O	ZINC001412905122	942132472	/nfs/dbraw/zinc/13/24/72/942132472.db2.gz	LVUIYUDDLALMIF-UHFFFAOYSA-N	-1	0	306.709	0.916	20	30		DCEDRM
C[C@@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC[S@@](=O)C1	ZINC001412971389	942163635	/nfs/dbraw/zinc/16/36/35/942163635.db2.gz	DBPNLYPOUAFFRO-ZQJOYCHOSA-N	-1	0	319.390	0.507	20	30		DCEDRM
C#CCN1CC2(CN(C(=O)c3ccc(F)cc3[O-])C2)OCC1=O	ZINC001272267880	942386118	/nfs/dbraw/zinc/38/61/18/942386118.db2.gz	CONNPUWQAORHOW-UHFFFAOYSA-N	-1	0	318.304	0.218	20	30		DCEDRM
C#CCCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC	ZINC001212146468	942476994	/nfs/dbraw/zinc/47/69/94/942476994.db2.gz	QJUDSHYCXAASMF-VXGBXAGGSA-N	-1	0	321.381	0.019	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCO[C@H]([C@H](C)O)C2)cc1C#N	ZINC001413101748	942503820	/nfs/dbraw/zinc/50/38/20/942503820.db2.gz	IVTNGZJRFSZMOH-KWQFWETISA-N	-1	0	323.374	0.603	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC(C)(C)c1cn(C)nn1	ZINC001413187441	942549146	/nfs/dbraw/zinc/54/91/46/942549146.db2.gz	JMCHAOZKECCXNO-UHFFFAOYSA-N	-1	0	300.322	0.761	20	30		DCEDRM
C#CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1cc(=O)[nH][n-]1	ZINC001272282376	942659116	/nfs/dbraw/zinc/65/91/16/942659116.db2.gz	CADWPQIBXJTHRU-OAHLLOKOSA-N	-1	0	302.334	0.346	20	30		DCEDRM
CCCC[C@H](Sc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC	ZINC001365227402	942701539	/nfs/dbraw/zinc/70/15/39/942701539.db2.gz	MRIALRRSRZBAEB-VIFPVBQESA-N	-1	0	311.363	0.769	20	30		DCEDRM
N#CCC1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])CC1	ZINC001611291399	970978696	/nfs/dbraw/zinc/97/86/96/970978696.db2.gz	UQDKZBWAYHRSJE-UHFFFAOYSA-N	-1	0	309.366	0.900	20	30		DCEDRM
N#Cc1ccc(CN2CC[C@@H](NC(=O)CCC(=O)[O-])C2=O)cc1	ZINC001611295930	970981420	/nfs/dbraw/zinc/98/14/20/970981420.db2.gz	YSBAXWFEQZWBCO-CYBMUJFWSA-N	-1	0	315.329	0.640	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001484714212	943531017	/nfs/dbraw/zinc/53/10/17/943531017.db2.gz	SJTUCLMGOCTYMU-GFCCVEGCSA-N	-1	0	305.382	0.785	20	30		DCEDRM
CN(CCCNCC#N)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001276400280	944139894	/nfs/dbraw/zinc/13/98/94/944139894.db2.gz	WFYPOXJKBFYZIG-UHFFFAOYSA-N	-1	0	308.304	0.405	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC3(C2)CC[C@@H](C(N)=O)O3)c([O-])c1	ZINC001276864609	944334596	/nfs/dbraw/zinc/33/45/96/944334596.db2.gz	CIHFDSDLWRSQNG-LBPRGKRZSA-N	-1	0	301.302	0.123	20	30		DCEDRM
C[C@](CO)(NS(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)[O-]	ZINC001604198576	1169521604	/nfs/dbraw/zinc/52/16/04/1169521604.db2.gz	JGAKKKXTPFGKOZ-CYBMUJFWSA-N	-1	0	312.347	0.008	20	30		DCEDRM
C#CC[S@@](=O)Cc1cn(Cc2ccc(C(=O)[O-])cc2)nn1	ZINC001254099050	946315923	/nfs/dbraw/zinc/31/59/23/946315923.db2.gz	RNELNMABXUZCRO-OAQYLSRUSA-N	-1	0	303.343	0.907	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1c(C)cccc1OC	ZINC001602679291	971259150	/nfs/dbraw/zinc/25/91/50/971259150.db2.gz	MTULDJGCZOACEM-UHFFFAOYSA-N	-1	0	304.302	0.489	20	30		DCEDRM
C#CCN(CC(=O)N(OC)[C@H](C)C(=O)[O-])C(=O)OC(C)(C)C	ZINC001602679640	971261111	/nfs/dbraw/zinc/26/11/11/971261111.db2.gz	VBLHYYWTKXUZEW-SNVBAGLBSA-N	-1	0	314.338	0.720	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(Cl)cc1OC	ZINC001602679709	971261371	/nfs/dbraw/zinc/26/13/71/971261371.db2.gz	WCKSVDILQADZRP-UHFFFAOYSA-N	-1	0	324.720	0.834	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC001602683960	971276305	/nfs/dbraw/zinc/27/63/05/971276305.db2.gz	MVGYYAXDEMQGOE-NWDGAFQWSA-N	-1	0	311.407	0.296	20	30		DCEDRM
COc1nc(NS(=O)(=O)c2ccccc2C#N)cc(=O)[n-]1	ZINC001258201871	946808991	/nfs/dbraw/zinc/80/89/91/946808991.db2.gz	ORALZNSJIPERNE-UHFFFAOYSA-N	-1	0	306.303	0.863	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1cnccc1C(N)=O	ZINC001258201589	946809066	/nfs/dbraw/zinc/80/90/66/946809066.db2.gz	IMUYDHRWZWCMGA-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)OC)C[C@H]21	ZINC001602688822	971292776	/nfs/dbraw/zinc/29/27/76/971292776.db2.gz	XDDVVEIXLGJWFD-KXNHARMFSA-N	-1	0	308.334	0.304	20	30		DCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1C(N)=O	ZINC001259411796	946955903	/nfs/dbraw/zinc/95/59/03/946955903.db2.gz	DHOFIFOHJWEXMG-UHFFFAOYSA-N	-1	0	323.309	0.331	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1ccccc1C(=O)OC	ZINC001602695519	971308584	/nfs/dbraw/zinc/30/85/84/971308584.db2.gz	IERAICGTRDVVFW-UHFFFAOYSA-N	-1	0	304.302	0.432	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2nnc(C(C)(C)C)o2)n1C	ZINC001602699152	971316146	/nfs/dbraw/zinc/31/61/46/971316146.db2.gz	LHMGLRCKRRULEA-UHFFFAOYSA-N	-1	0	318.337	0.687	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@]2(OC(C)C)CCOC2)n1C	ZINC001602700681	971320165	/nfs/dbraw/zinc/32/01/65/971320165.db2.gz	DSAKCOVWDIZEEQ-OAHLLOKOSA-N	-1	0	322.365	0.380	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)c2cc(C(=O)[O-])n[nH]2)c1	ZINC001602707280	971342431	/nfs/dbraw/zinc/34/24/31/971342431.db2.gz	OKUMRDTXTPTPDW-UHFFFAOYSA-N	-1	0	312.285	0.458	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)CCCC#N	ZINC001324717640	947511796	/nfs/dbraw/zinc/51/17/96/947511796.db2.gz	CHPFUNAPICSCOV-UHFFFAOYSA-N	-1	0	317.348	0.428	20	30		DCEDRM
CC#CCC[N@@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001602735083	971415629	/nfs/dbraw/zinc/41/56/29/971415629.db2.gz	NYCPROABMWWMRZ-UWVGGRQHSA-N	-1	0	306.284	0.996	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-]	ZINC001325144770	947680590	/nfs/dbraw/zinc/68/05/90/947680590.db2.gz	UXGLOWHPYMOIBL-KOLCDFICSA-N	-1	0	319.379	0.114	20	30		DCEDRM
CC(=Cc1cccnc1)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001573366329	947737142	/nfs/dbraw/zinc/73/71/42/947737142.db2.gz	PISMDIYTZQMLSF-VMPITWQZSA-N	-1	0	321.304	0.898	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@@H]1CCC[C@H]1C#N	ZINC001262969763	947791493	/nfs/dbraw/zinc/79/14/93/947791493.db2.gz	QFJYWQGEGFNKKA-CMPLNLGQSA-N	-1	0	313.365	0.817	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001273475651	947916533	/nfs/dbraw/zinc/91/65/33/947916533.db2.gz	SFPVILZTGRLBIQ-LBPRGKRZSA-N	-1	0	323.397	0.574	20	30		DCEDRM
N#CCOc1ccc(NC(=O)C(=O)[N-]OC2CCOCC2)cc1	ZINC001325762751	947918028	/nfs/dbraw/zinc/91/80/28/947918028.db2.gz	QMXUUTQMTQSLDV-UHFFFAOYSA-N	-1	0	319.317	0.754	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001487776977	948268308	/nfs/dbraw/zinc/26/83/08/948268308.db2.gz	LLOZDYAMQXKYJB-ONGXEEELSA-N	-1	0	322.365	0.039	20	30		DCEDRM
N#CCc1ccc(CNC(=O)C(=O)[N-]OC2CCOCC2)cc1	ZINC001326938085	948335761	/nfs/dbraw/zinc/33/57/61/948335761.db2.gz	OJCNBNXBRFQPNF-UHFFFAOYSA-N	-1	0	317.345	0.596	20	30		DCEDRM
CCn1c(C)nnc1Sc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001570919435	948587412	/nfs/dbraw/zinc/58/74/12/948587412.db2.gz	ULBKTQBMCOZUKX-UHFFFAOYSA-N	-1	0	314.338	0.599	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC(O)(c2ccc(F)cc2)C1	ZINC001602779445	971516173	/nfs/dbraw/zinc/51/61/73/971516173.db2.gz	ZBCDPHWWTLOEGJ-AWEZNQCLSA-N	-1	0	306.293	0.860	20	30		DCEDRM
Cc1c(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n[nH]c1C(C)C	ZINC001364510827	949456441	/nfs/dbraw/zinc/45/64/41/949456441.db2.gz	RESJMBVQLPQBPU-UHFFFAOYSA-N	-1	0	316.321	0.614	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[C@@H](CC)O2)n1	ZINC001489076452	949466944	/nfs/dbraw/zinc/46/69/44/949466944.db2.gz	LQUQHZQXTQUZQH-OLZOCXBDSA-N	-1	0	318.377	0.479	20	30		DCEDRM
COCCn1[n-]nnc1=NC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC001462865599	1013094504	/nfs/dbraw/zinc/09/45/04/1013094504.db2.gz	XUPBTRWSBWNDCY-UHFFFAOYSA-N	-1	0	312.333	0.549	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCCn2cncn2)cc1C#N	ZINC001329973444	950022947	/nfs/dbraw/zinc/02/29/47/950022947.db2.gz	BYLVNTDIXHPEQN-UHFFFAOYSA-N	-1	0	318.362	0.792	20	30		DCEDRM
CN(CCNc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC(C)(C)C	ZINC001365212866	950749241	/nfs/dbraw/zinc/74/92/41/950749241.db2.gz	IUTNAJHREIHFCW-UHFFFAOYSA-N	-1	0	323.353	0.224	20	30		DCEDRM
CC(=O)N(C)c1ccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001365217767	950757098	/nfs/dbraw/zinc/75/70/98/950757098.db2.gz	XXSZELAJROCAFQ-UHFFFAOYSA-N	-1	0	313.317	0.672	20	30		DCEDRM
C[C@H](C[C@H](O)c1cccs1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365222671	950763219	/nfs/dbraw/zinc/76/32/19/950763219.db2.gz	DCUQGYVQSBQYFR-SCZZXKLOSA-N	-1	0	320.374	0.931	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccn(C3CCCC3)n2)c(C#N)c1=O	ZINC001365225336	950770070	/nfs/dbraw/zinc/77/00/70/950770070.db2.gz	NLIQZQNSEUJECC-UHFFFAOYSA-N	-1	0	314.349	0.869	20	30		DCEDRM
COc1cccc([C@@H]2C[C@H]2Nc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001365226077	950770836	/nfs/dbraw/zinc/77/08/36/950770836.db2.gz	ATJATDXCTQCWGX-WCQYABFASA-N	-1	0	312.329	0.922	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)N[C@H]3C=CCCC3)C2)c(=O)[n-]c1=O	ZINC001331519338	951154741	/nfs/dbraw/zinc/15/47/41/951154741.db2.gz	HGKXBZMIEJLPTP-NSHDSACASA-N	-1	0	315.333	0.496	20	30		DCEDRM
C=C(C)CCC(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001280944569	951183107	/nfs/dbraw/zinc/18/31/07/951183107.db2.gz	METFTGPOQHCIKO-LLVKDONJSA-N	-1	0	321.381	0.326	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2C[C@@H]3COC[C@H](C2)C3=O)CC1	ZINC001332233103	951532480	/nfs/dbraw/zinc/53/24/80/951532480.db2.gz	PMWDPPBIOVRYGK-FGWVZKOKSA-N	-1	0	313.375	0.393	20	30		DCEDRM
C#CCC1(C(=O)NCC2CC(NC(=O)c3cn[nH]n3)C2)CCC1	ZINC001333724265	952141752	/nfs/dbraw/zinc/14/17/52/952141752.db2.gz	AVRRFEOMZFUWHE-UHFFFAOYSA-N	-1	0	315.377	0.623	20	30		DCEDRM
CC1(C)C(=O)NCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001413954545	952264562	/nfs/dbraw/zinc/26/45/62/952264562.db2.gz	FZFBEDRPKUODQG-UHFFFAOYSA-N	-1	0	300.322	0.017	20	30		DCEDRM
CC(C)CN(CCC#N)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001411694232	952389092	/nfs/dbraw/zinc/38/90/92/952389092.db2.gz	GOWZMBSSSPOEFN-UHFFFAOYSA-N	-1	0	303.322	0.219	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCSC[C@@H]1CCO	ZINC001411901716	952525988	/nfs/dbraw/zinc/52/59/88/952525988.db2.gz	MTNHBYVQDAVKQR-NSHDSACASA-N	-1	0	307.375	0.907	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC2Cc3ccccc3C2)c(=O)[n-]c1=O	ZINC001411998669	952591118	/nfs/dbraw/zinc/59/11/18/952591118.db2.gz	FBYRUTHRUZOGJS-UHFFFAOYSA-N	-1	0	324.340	0.494	20	30		DCEDRM
C[C@@H]1CC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@@H]1C	ZINC001412005049	952595048	/nfs/dbraw/zinc/59/50/48/952595048.db2.gz	NUVLWAYERFCVCK-SCVCMEIPSA-N	-1	0	304.350	0.761	20	30		DCEDRM
Cc1nnc(CCNC(=O)c2[n-]c(=O)c(C#N)cc2C)n1C	ZINC001412034099	952611694	/nfs/dbraw/zinc/61/16/94/952611694.db2.gz	NKMGWULSSARMTI-UHFFFAOYSA-N	-1	0	300.322	0.377	20	30		DCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@H](CO)CC(C)(C)C	ZINC001412146271	952666036	/nfs/dbraw/zinc/66/60/36/952666036.db2.gz	ZTYCJJMZIQFGLP-NSHDSACASA-N	-1	0	322.365	0.076	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2cccc(F)c2)c(=O)[n-]c1=O	ZINC001412406946	952782491	/nfs/dbraw/zinc/78/24/91/952782491.db2.gz	XJFFIMLDBPTMBA-UHFFFAOYSA-N	-1	0	302.265	0.276	20	30		DCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001412422342	952789566	/nfs/dbraw/zinc/78/95/66/952789566.db2.gz	SCAJFFRMSPOIAD-UHFFFAOYSA-N	-1	0	315.333	1.000	20	30		DCEDRM
N#CCCN1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC001412469392	952823920	/nfs/dbraw/zinc/82/39/20/952823920.db2.gz	LUSXZWZONIKZOX-UHFFFAOYSA-N	-1	0	301.306	0.600	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001337656358	952895575	/nfs/dbraw/zinc/89/55/75/952895575.db2.gz	NYDVEMMBZQVFAQ-JTQLQIEISA-N	-1	0	324.381	0.233	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C	ZINC001412579127	952910107	/nfs/dbraw/zinc/91/01/07/952910107.db2.gz	SHDVQJNWOFLYDV-UWVGGRQHSA-N	-1	0	323.374	0.615	20	30		DCEDRM
CC(C)(C)SCCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001602921500	971879666	/nfs/dbraw/zinc/87/96/66/971879666.db2.gz	WDAUIGVNPJMFRA-UHFFFAOYSA-N	-1	0	311.363	0.498	20	30		DCEDRM
CCc1onc(C)c1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412681468	952988064	/nfs/dbraw/zinc/98/80/64/952988064.db2.gz	ZHQRNNJYQPNNBM-UHFFFAOYSA-N	-1	0	303.278	0.318	20	30		DCEDRM
Cc1c([C@@H](NS(=O)(=O)CCCCC#N)C(=O)[O-])cnn1C	ZINC001338862233	953057898	/nfs/dbraw/zinc/05/78/98/953057898.db2.gz	SDGNRYJGCAWLSX-LLVKDONJSA-N	-1	0	314.367	0.468	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CCS[C@H](C)[C@@H]1C	ZINC001339210407	953080915	/nfs/dbraw/zinc/08/09/15/953080915.db2.gz	IJFDQZNBVIZMDW-DTWKUNHWSA-N	-1	0	306.399	0.974	20	30		DCEDRM
COC(=O)[C@]1(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CCSC1	ZINC001412774187	953084548	/nfs/dbraw/zinc/08/45/48/953084548.db2.gz	MYSIHSBGKVEMAO-AWEZNQCLSA-N	-1	0	321.358	0.746	20	30		DCEDRM
Cc1cnn(C)c1C([O-])=C(C#N)C(=O)NCCCOC(C)C	ZINC001342021726	953264089	/nfs/dbraw/zinc/26/40/89/953264089.db2.gz	PXSONIKEVJNDLI-GFCCVEGCSA-N	-1	0	306.366	0.982	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@H]1CCSC1	ZINC001342240908	953278462	/nfs/dbraw/zinc/27/84/62/953278462.db2.gz	HYHFRVXKCPNRLX-VIFPVBQESA-N	-1	0	306.395	0.630	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(Cc2ccccn2)nn1	ZINC001343446866	953347291	/nfs/dbraw/zinc/34/72/91/953347291.db2.gz	LKAZPHUNDXTYKD-LBPRGKRZSA-N	-1	0	312.333	0.568	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C2CCOCC2)nn1C	ZINC001343510709	953350610	/nfs/dbraw/zinc/35/06/10/953350610.db2.gz	UDEVXFUTHJMVGV-LBPRGKRZSA-N	-1	0	316.361	0.939	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CN1CCCC2(CC2)S1(=O)=O	ZINC001345108100	953592458	/nfs/dbraw/zinc/59/24/58/953592458.db2.gz	OMEJZOBAJMAPOY-UHFFFAOYSA-N	-1	0	316.379	0.044	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1c2ccccc2nn1C	ZINC001346065370	953796147	/nfs/dbraw/zinc/79/61/47/953796147.db2.gz	SDGBAGSFQRLSGE-LLVKDONJSA-N	-1	0	300.318	0.658	20	30		DCEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001589315145	953829282	/nfs/dbraw/zinc/82/92/82/953829282.db2.gz	YTUHPBOHRSPYTB-WQGACYEGSA-N	-1	0	321.377	0.898	20	30		DCEDRM
CN([C@H]1CCC[C@@H]1C#N)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001593716841	954229832	/nfs/dbraw/zinc/22/98/32/954229832.db2.gz	NCWDAVBQKHOZKU-NEPJUHHUSA-N	-1	0	315.395	0.652	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	ZINC001349110043	954605385	/nfs/dbraw/zinc/60/53/85/954605385.db2.gz	PZWWKDGNHRPLFW-NEPJUHHUSA-N	-1	0	318.395	0.305	20	30		DCEDRM
C=CCC1(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)CCCC1	ZINC001283841402	954649906	/nfs/dbraw/zinc/64/99/06/954649906.db2.gz	JOJYFCUJCKUMIQ-NSHDSACASA-N	-1	0	323.397	0.214	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC001593844149	955390163	/nfs/dbraw/zinc/39/01/63/955390163.db2.gz	PAVUZTNHYSADKP-NSHDSACASA-N	-1	0	305.290	0.018	20	30		DCEDRM
Cn1c(N2CCC(C(=O)[O-])CC2)nnc1C1(C#N)CCOCC1	ZINC001594521544	955460279	/nfs/dbraw/zinc/46/02/79/955460279.db2.gz	HDZYVAIKJSHDOH-UHFFFAOYSA-N	-1	0	319.365	0.688	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1	ZINC001593905255	955905341	/nfs/dbraw/zinc/90/53/41/955905341.db2.gz	OSYRROSTIPBSEI-WCQYABFASA-N	-1	0	318.333	0.456	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001285735805	955945730	/nfs/dbraw/zinc/94/57/30/955945730.db2.gz	PMATWQZRCPVKMD-QMMMGPOBSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)CN1C(=O)c2ccccc2S1(=O)=O	ZINC001300211216	955947500	/nfs/dbraw/zinc/94/75/00/955947500.db2.gz	RONVMGALQJJBJX-VIFPVBQESA-N	-1	0	310.331	0.453	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)N[C@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC001594588747	956025801	/nfs/dbraw/zinc/02/58/01/956025801.db2.gz	JRSNRJLIIIUXSO-SFYZADRCSA-N	-1	0	319.243	0.690	20	30		DCEDRM
Cn1nccc1[C@@H]1C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC001594593184	956067236	/nfs/dbraw/zinc/06/72/36/956067236.db2.gz	QITKGHDEPYZETO-ITDIGPHOSA-N	-1	0	320.349	0.761	20	30		DCEDRM
N#C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C1CCCCC1	ZINC001594602056	956141806	/nfs/dbraw/zinc/14/18/06/956141806.db2.gz	TXHXONIFUNSUFG-STQMWFEESA-N	-1	0	321.377	0.898	20	30		DCEDRM
C=CCO[N-]C(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F	ZINC001353700801	956150964	/nfs/dbraw/zinc/15/09/64/956150964.db2.gz	JOHWNRPNMLKOSQ-OCCSQVGLSA-N	-1	0	322.336	0.564	20	30		DCEDRM
N#CCC1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1	ZINC001594606093	956177607	/nfs/dbraw/zinc/17/76/07/956177607.db2.gz	OJEBUHBTTLTADR-CYBMUJFWSA-N	-1	0	321.377	0.852	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001594611971	956223226	/nfs/dbraw/zinc/22/32/26/956223226.db2.gz	PXOKQMWPWZPMRR-NSHDSACASA-N	-1	0	306.249	0.540	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)NCCOCCOCC(=O)[O-])c1	ZINC001594619840	956272234	/nfs/dbraw/zinc/27/22/34/956272234.db2.gz	RZADNCPWBRGIMG-UHFFFAOYSA-N	-1	0	310.281	0.545	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NC[C@@H](C(=O)[O-])C2CCC2)nc1	ZINC001594623151	956295869	/nfs/dbraw/zinc/29/58/69/956295869.db2.gz	WVCTVIVQPHLDBP-GFCCVEGCSA-N	-1	0	302.334	0.982	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCc2ccc(F)cc2)c(=O)[n-]c1=O	ZINC001463566241	1013145288	/nfs/dbraw/zinc/14/52/88/1013145288.db2.gz	HGGBBNJAJKRIGS-UHFFFAOYSA-N	-1	0	316.292	0.666	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H](C(=O)[O-])C2)nc1	ZINC001594625644	956311842	/nfs/dbraw/zinc/31/18/42/956311842.db2.gz	SOZQLUGEVBMSDN-LLVKDONJSA-N	-1	0	309.347	0.133	20	30		DCEDRM
C[C@@](O)(CNc1ncc(C#N)cc1Br)C(=O)[O-]	ZINC001589148491	956322621	/nfs/dbraw/zinc/32/26/21/956322621.db2.gz	UCXHBNSGSPUMBI-SNVBAGLBSA-N	-1	0	300.112	0.963	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)CCCC(=O)[O-])CC2)c1	ZINC001594632104	956349179	/nfs/dbraw/zinc/34/91/79/956349179.db2.gz	UDYJPHUUROOARM-UHFFFAOYSA-N	-1	0	302.334	0.857	20	30		DCEDRM
NC(=NOCCOc1ccccc1C(=O)[O-])c1ccncn1	ZINC001594636834	956380058	/nfs/dbraw/zinc/38/00/58/956380058.db2.gz	QDNOHSSHIVSLHY-UHFFFAOYSA-N	-1	0	302.290	0.891	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC001589181676	956526880	/nfs/dbraw/zinc/52/68/80/956526880.db2.gz	BICGHXBHBBBJHO-OAHLLOKOSA-N	-1	0	307.350	0.462	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)n(C)n1	ZINC001356220235	956801959	/nfs/dbraw/zinc/80/19/59/956801959.db2.gz	DCEZRZBNJJDNPK-SECBINFHSA-N	-1	0	312.757	0.939	20	30		DCEDRM
COCCN(CCC#N)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001594000193	956921715	/nfs/dbraw/zinc/92/17/15/956921715.db2.gz	GCAPJGZBTGLQFX-UHFFFAOYSA-N	-1	0	320.305	0.107	20	30		DCEDRM
COCCOc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])nn1	ZINC001594020112	957076412	/nfs/dbraw/zinc/07/64/12/957076412.db2.gz	NCLJIMCIRGEHRG-AWEZNQCLSA-N	-1	0	322.321	0.123	20	30		DCEDRM
C#CCC1(C(=O)NCCNC(=O)c2[nH]nc(C)c2[O-])CCC1	ZINC001292643374	957085504	/nfs/dbraw/zinc/08/55/04/957085504.db2.gz	IDRILSWMYJIPRU-UHFFFAOYSA-N	-1	0	304.350	0.463	20	30		DCEDRM
CS(=O)(=O)Cc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC001357544461	957315066	/nfs/dbraw/zinc/31/50/66/957315066.db2.gz	RKFZJECOYQBWHF-CYBMUJFWSA-N	-1	0	320.370	0.832	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNC(=O)C#CC2CC2)c1[O-]	ZINC001357732033	957369884	/nfs/dbraw/zinc/36/98/84/957369884.db2.gz	NILRWXNCHHEQQO-IHWYPQMZSA-N	-1	0	302.334	0.239	20	30		DCEDRM
N#CCc1ccnc(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)c1	ZINC001294625003	957553484	/nfs/dbraw/zinc/55/34/84/957553484.db2.gz	YQBVZOQVUOPGSA-UHFFFAOYSA-N	-1	0	320.316	0.788	20	30		DCEDRM
C=CC[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-]	ZINC000150130734	957827237	/nfs/dbraw/zinc/82/72/37/957827237.db2.gz	DJKXOTIVLUDUTN-LBPRGKRZSA-N	-1	0	311.359	0.990	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](C)CC(=O)[O-]	ZINC001594049096	957960678	/nfs/dbraw/zinc/96/06/78/957960678.db2.gz	DADXGOSMMAXCNI-MRVPVSSYSA-N	-1	0	305.290	0.485	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC001588388783	958000146	/nfs/dbraw/zinc/00/01/46/958000146.db2.gz	GFJGIOLQSBXTMN-YNEHKIRRSA-N	-1	0	324.377	0.100	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588389413	958009434	/nfs/dbraw/zinc/00/94/34/958009434.db2.gz	UVIJQYJLNLPRFH-WULFKBJJSA-N	-1	0	324.377	0.736	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(C(C)C)nc1	ZINC001588396099	958047178	/nfs/dbraw/zinc/04/71/78/958047178.db2.gz	UAKHCAASQGVORT-UHFFFAOYSA-N	-1	0	303.318	0.690	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(OC=C)cc1	ZINC001588396426	958049520	/nfs/dbraw/zinc/04/95/20/958049520.db2.gz	ZFZYDRMJGLSHSO-UHFFFAOYSA-N	-1	0	302.286	0.694	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCCN1Cc1cccnc1	ZINC001588399608	958074972	/nfs/dbraw/zinc/07/49/72/958074972.db2.gz	NCJPTYJLCYDEQD-HNNXBMFYSA-N	-1	0	315.373	0.983	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1	ZINC001588408505	958111436	/nfs/dbraw/zinc/11/14/36/958111436.db2.gz	PXCAULIKQSSECP-RSUWNVLCSA-N	-1	0	324.377	0.688	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCS(=O)(=O)c1ccccc1	ZINC001588408674	958115330	/nfs/dbraw/zinc/11/53/30/958115330.db2.gz	YNWYUHRUHVGINK-UHFFFAOYSA-N	-1	0	324.358	0.190	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc2c1CCNC2=O	ZINC001588413140	958156258	/nfs/dbraw/zinc/15/62/58/958156258.db2.gz	RYSJLXPVSKPTNR-UHFFFAOYSA-N	-1	0	301.302	0.524	20	30		DCEDRM
COCC[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000092130803	958160143	/nfs/dbraw/zinc/16/01/43/958160143.db2.gz	KTOADHXMJJROEP-LBPRGKRZSA-N	-1	0	312.347	0.521	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)cc(C)c1C	ZINC001588416113	958161137	/nfs/dbraw/zinc/16/11/37/958161137.db2.gz	GPHBMZQOOYQGKS-UHFFFAOYSA-N	-1	0	324.358	0.111	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1	ZINC001588417202	958167269	/nfs/dbraw/zinc/16/72/69/958167269.db2.gz	BDQAFIDSKNBDHG-PHIMTYICSA-N	-1	0	310.350	0.836	20	30		DCEDRM
C#CCN(CC(=O)[O-])C[C@@H](O)c1cc(Br)no1	ZINC001588424712	958218221	/nfs/dbraw/zinc/21/82/21/958218221.db2.gz	WMPYICPYRZWMGH-SSDOTTSWSA-N	-1	0	303.112	0.490	20	30		DCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NCC(F)(F)F	ZINC001603216073	972329731	/nfs/dbraw/zinc/32/97/31/972329731.db2.gz	NQKCGJGXRCWSGY-QUBYGPBYSA-N	-1	0	309.244	0.174	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2c[nH]c(C)n2)n1CCOC	ZINC001588426464	958229417	/nfs/dbraw/zinc/22/94/17/958229417.db2.gz	LTZZUXGVYIJXLW-UHFFFAOYSA-N	-1	0	318.337	0.147	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc2ccn(C)c21	ZINC001588426670	958230667	/nfs/dbraw/zinc/23/06/67/958230667.db2.gz	WQZRBTVGZQQKPB-UHFFFAOYSA-N	-1	0	306.343	0.887	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)cn1	ZINC001588426612	958231112	/nfs/dbraw/zinc/23/11/12/958231112.db2.gz	RFFVTKZJUMPFBM-UHFFFAOYSA-N	-1	0	322.264	0.809	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2[C@@H]3CCCO[C@@H]32)n1CC=C	ZINC001588426773	958233297	/nfs/dbraw/zinc/23/32/97/958233297.db2.gz	BKUPZTLCMCMMJI-YUTCNCBUSA-N	-1	0	316.361	0.881	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001588426980	958236927	/nfs/dbraw/zinc/23/69/27/958236927.db2.gz	IXBRPWVAJPKIDH-JTQLQIEISA-N	-1	0	310.306	0.019	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588427448	958245488	/nfs/dbraw/zinc/24/54/88/958245488.db2.gz	YFQPXISVUMSJOR-OAHLLOKOSA-N	-1	0	308.334	0.794	20	30		DCEDRM
C#CCOCCC(=O)NC[C@@H](CC)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001297402241	958250142	/nfs/dbraw/zinc/25/01/42/958250142.db2.gz	NXVDLIWCCSZTLX-LLVKDONJSA-N	-1	0	322.365	0.088	20	30		DCEDRM
C#CCN1CCC[C@H]1c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C	ZINC001588430862	958262243	/nfs/dbraw/zinc/26/22/43/958262243.db2.gz	PXPRNZWHPHRUEW-STQMWFEESA-N	-1	0	317.393	0.886	20	30		DCEDRM
C#CCOc1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1	ZINC001588433051	958291784	/nfs/dbraw/zinc/29/17/84/958291784.db2.gz	BMQIUVSTWNCUPS-AWEZNQCLSA-N	-1	0	323.370	0.382	20	30		DCEDRM
C#Cc1cccc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1	ZINC001588438820	958304555	/nfs/dbraw/zinc/30/45/55/958304555.db2.gz	CTJIXOZNTSFOHD-YOEHRIQHSA-N	-1	0	314.341	0.911	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@]2(C(=O)[O-])CCCO2)c1	ZINC001588439872	958324347	/nfs/dbraw/zinc/32/43/47/958324347.db2.gz	URLXUICRNVSMPH-INIZCTEOSA-N	-1	0	316.313	0.356	20	30		DCEDRM
N#C[C@@]1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC12CCCC2	ZINC001361785767	958330911	/nfs/dbraw/zinc/33/09/11/958330911.db2.gz	SGASUPYVMPEOQT-QMTHXVAHSA-N	-1	0	302.338	0.574	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)[C@H](C)N1CCOCC1	ZINC001361810920	958358653	/nfs/dbraw/zinc/35/86/53/958358653.db2.gz	UGDQRLYZDLKQNC-NEPJUHHUSA-N	-1	0	318.377	0.806	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001588444393	958360210	/nfs/dbraw/zinc/36/02/10/958360210.db2.gz	ADVCGJMCZXYVAP-GFCCVEGCSA-N	-1	0	306.318	0.703	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588451098	958404480	/nfs/dbraw/zinc/40/44/80/958404480.db2.gz	LWXVVXQKIJTCGL-LLVKDONJSA-N	-1	0	306.318	0.569	20	30		DCEDRM
C[C@H](Cc1ccsc1)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361895050	958460876	/nfs/dbraw/zinc/46/08/76/958460876.db2.gz	URDMWDVFBIXTQX-SECBINFHSA-N	-1	0	318.358	0.629	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC1CCS(=O)(=O)CC1	ZINC001361919879	958487928	/nfs/dbraw/zinc/48/79/28/958487928.db2.gz	GELWEKLWXMAWDD-UHFFFAOYSA-N	-1	0	309.347	0.274	20	30		DCEDRM
C=CCN(CCc1ccco1)CCS(=O)(=O)CC(=O)[O-]	ZINC001588464360	958491872	/nfs/dbraw/zinc/49/18/72/958491872.db2.gz	NRNPFCJEKVLZRR-UHFFFAOYSA-N	-1	0	301.364	0.810	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC001588465441	958503548	/nfs/dbraw/zinc/50/35/48/958503548.db2.gz	JYIPVKFTVNQYAU-CHWSQXEVSA-N	-1	0	317.345	0.901	20	30		DCEDRM
C=CCN1CC[C@@H](OC(=O)C2(C(=O)[O-])CCSCC2)C1=O	ZINC001588465498	958505593	/nfs/dbraw/zinc/50/55/93/958505593.db2.gz	NUWBHNGAZFOHKV-SNVBAGLBSA-N	-1	0	313.375	0.915	20	30		DCEDRM
CS[C@@H]1CC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362006404	958597059	/nfs/dbraw/zinc/59/70/59/958597059.db2.gz	BXIUTUWFHIBXPQ-NXEZZACHSA-N	-1	0	308.363	0.221	20	30		DCEDRM
COc1cccc([C@@H](C#N)NC(=O)[C@](C)(OC)C(=O)[O-])c1OC	ZINC001594121776	958602603	/nfs/dbraw/zinc/60/26/03/958602603.db2.gz	JFJQIBYHCSLDFL-BMIGLBTASA-N	-1	0	322.317	0.874	20	30		DCEDRM
CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H]2C1	ZINC001588492836	958657544	/nfs/dbraw/zinc/65/75/44/958657544.db2.gz	PZFTUMJUKZDQSG-WFGGJUAMSA-N	-1	0	321.377	0.754	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1	ZINC001362111638	958755535	/nfs/dbraw/zinc/75/55/35/958755535.db2.gz	SQKXUPWKYJSVON-LLVKDONJSA-N	-1	0	302.334	0.706	20	30		DCEDRM
COCCN(CCC(=O)OC)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362131310	958789707	/nfs/dbraw/zinc/78/97/07/958789707.db2.gz	LGESGUUFTWEYLI-UHFFFAOYSA-N	-1	0	321.333	0.619	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1	ZINC001588534554	958922734	/nfs/dbraw/zinc/92/27/34/958922734.db2.gz	KCSZIMKJLSXFCM-RTHLEPHNSA-N	-1	0	320.305	0.208	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1(CS(C)(=O)=O)CC1	ZINC001362205954	958928585	/nfs/dbraw/zinc/92/85/85/958928585.db2.gz	ACNBZUOYWSTDLV-UHFFFAOYSA-N	-1	0	323.374	0.522	20	30		DCEDRM
C[C@H](C#N)CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1	ZINC001588543682	958981491	/nfs/dbraw/zinc/98/14/91/958981491.db2.gz	QDRLXQMDNGTTBW-GRYCIOLGSA-N	-1	0	319.365	0.779	20	30		DCEDRM
N#Cc1cnc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c(Cl)c1	ZINC001362245802	958994987	/nfs/dbraw/zinc/99/49/87/958994987.db2.gz	OHPITEYGZJPXKC-SECBINFHSA-N	-1	0	319.712	0.333	20	30		DCEDRM
CC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccncc1	ZINC001362255603	959014087	/nfs/dbraw/zinc/01/40/87/959014087.db2.gz	KUNSYBBBHUCZOJ-LBPRGKRZSA-N	-1	0	313.317	0.483	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000159568918	959119451	/nfs/dbraw/zinc/11/94/51/959119451.db2.gz	WOFGSKVKESETHM-JTQLQIEISA-N	-1	0	312.734	0.966	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2CCC(F)(F)CC2)c(=O)[n-]c1=O	ZINC001362313385	959123509	/nfs/dbraw/zinc/12/35/09/959123509.db2.gz	VJZWGEXRMOHDQV-UHFFFAOYSA-N	-1	0	312.276	0.515	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)CCS(C)(=O)=O	ZINC001362466146	959408709	/nfs/dbraw/zinc/40/87/09/959408709.db2.gz	SPUHSASDQBFZBX-SECBINFHSA-N	-1	0	311.363	0.520	20	30		DCEDRM
Cc1nccc(N2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)n1	ZINC001594470819	959556659	/nfs/dbraw/zinc/55/66/59/959556659.db2.gz	JGKLNFBEPVJXIF-HNNXBMFYSA-N	-1	0	317.349	0.438	20	30		DCEDRM
COCC1CCC(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362549075	959578535	/nfs/dbraw/zinc/57/85/35/959578535.db2.gz	FBRRCIDLSIOOIQ-UHFFFAOYSA-N	-1	0	320.349	0.142	20	30		DCEDRM
Cc1nn(C)c(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c1C#N	ZINC001594483112	959640006	/nfs/dbraw/zinc/64/00/06/959640006.db2.gz	DDKIPANKZGMYQH-UWVGGRQHSA-N	-1	0	306.322	0.809	20	30		DCEDRM
CC1(C)CCC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362666004	959796006	/nfs/dbraw/zinc/79/60/06/959796006.db2.gz	LHIAKAVLDHHCJH-NSHDSACASA-N	-1	0	304.350	0.906	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001301815484	960009851	/nfs/dbraw/zinc/00/98/51/960009851.db2.gz	SRXZRSYPLKJFRW-GFCCVEGCSA-N	-1	0	314.349	0.233	20	30		DCEDRM
CS(=O)(=O)C1(C(=O)[N-]Oc2cccc(C#N)c2)CCOCC1	ZINC001302374385	960022648	/nfs/dbraw/zinc/02/26/48/960022648.db2.gz	WYQROIKZNRMOLV-UHFFFAOYSA-N	-1	0	324.358	0.562	20	30		DCEDRM
Cc1c(C(=O)NC2(c3nnn[n-]3)CCC2)cnn1CCC#N	ZINC001362835097	960064808	/nfs/dbraw/zinc/06/48/08/960064808.db2.gz	LDKCFZOIABXUDL-UHFFFAOYSA-N	-1	0	300.326	0.428	20	30		DCEDRM
N#Cc1cn(C2CN(c3cnc4ccccc4n3)C2)c(=O)[n-]c1=O	ZINC001307166616	960141990	/nfs/dbraw/zinc/14/19/90/960141990.db2.gz	DELOFXKLVVTYMD-UHFFFAOYSA-N	-1	0	320.312	0.825	20	30		DCEDRM
CC[C@@H](COCC1CC1)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362950018	960215406	/nfs/dbraw/zinc/21/54/06/960215406.db2.gz	UAEQFCQYCNDWSU-LBPRGKRZSA-N	-1	0	320.349	0.142	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2Cc3ccccc32)c(=O)[n-]c1=O	ZINC001363006750	960288852	/nfs/dbraw/zinc/28/88/52/960288852.db2.gz	ZCVRRTQVMWUQIV-CYBMUJFWSA-N	-1	0	310.313	0.277	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2CC3CCC2CC3)c(=O)[n-]c1=O	ZINC001363128875	960443812	/nfs/dbraw/zinc/44/38/12/960443812.db2.gz	NUPJCQLJQCPTID-GCZXYKMCSA-N	-1	0	316.361	0.763	20	30		DCEDRM
N#Cc1c(NC(=O)c2ccc(C(=O)[O-])cn2)nc2n1CCOC2	ZINC001574240904	960461811	/nfs/dbraw/zinc/46/18/11/960461811.db2.gz	DQPPDXWRWULOAC-UHFFFAOYSA-N	-1	0	313.273	0.630	20	30		DCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)Cc1cccc(OCC#N)c1	ZINC001363141697	960469282	/nfs/dbraw/zinc/46/92/82/960469282.db2.gz	OPAJZDDOFIEYJJ-UHFFFAOYSA-N	-1	0	302.290	0.466	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)c1cncn1C	ZINC001363145730	960477724	/nfs/dbraw/zinc/47/77/24/960477724.db2.gz	VIDAZADXEBILHA-JTQLQIEISA-N	-1	0	301.306	0.164	20	30		DCEDRM
CC(C)[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC(C)(C)C	ZINC001363148925	960484108	/nfs/dbraw/zinc/48/41/08/960484108.db2.gz	PBHHJRWWXWTUBP-JTQLQIEISA-N	-1	0	322.365	0.723	20	30		DCEDRM
CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588670340	960506119	/nfs/dbraw/zinc/50/61/19/960506119.db2.gz	SQUMOZVGUBFFMS-ZIAGYGMSSA-N	-1	0	314.338	0.200	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)Nc2cc(F)ccc2F)c1=O	ZINC001363183541	960551788	/nfs/dbraw/zinc/55/17/88/960551788.db2.gz	CXCOIBKAXDEIKE-UHFFFAOYSA-N	-1	0	306.228	0.325	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)C2(C(=O)[O-])CC2)C1	ZINC001588677768	960570107	/nfs/dbraw/zinc/57/01/07/960570107.db2.gz	MFSMCCYSONJWNP-NXEZZACHSA-N	-1	0	323.349	0.726	20	30		DCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccns1	ZINC001363196069	960576570	/nfs/dbraw/zinc/57/65/70/960576570.db2.gz	LPPCDAYNLVVIHR-ZETCQYMHSA-N	-1	0	305.319	0.154	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCSC[C@H]1CCO)cc2=O	ZINC001363203009	960593188	/nfs/dbraw/zinc/59/31/88/960593188.db2.gz	FFBHNCBRRKAMNA-GFCCVEGCSA-N	-1	0	319.390	0.606	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CC(F)(F)C[C@@H]1CO)cc2=O	ZINC001363228897	960651396	/nfs/dbraw/zinc/65/13/96/960651396.db2.gz	CHZGRTGXPJGKSI-SNVBAGLBSA-N	-1	0	309.276	0.508	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(O)(c2nccn2C)C1	ZINC001363247298	960690908	/nfs/dbraw/zinc/69/09/08/960690908.db2.gz	CYYHGUFFSASHQY-UHFFFAOYSA-N	-1	0	313.317	0.044	20	30		DCEDRM
C[C@H](O)CN(Cc1cc(=O)n2[n-]cc(C#N)c2n1)CC(F)F	ZINC001363247790	960694799	/nfs/dbraw/zinc/69/47/99/960694799.db2.gz	XJEAGBGMJBXHQB-QMMMGPOBSA-N	-1	0	311.292	0.754	20	30		DCEDRM
CC(C)(NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCCCO1	ZINC001363272130	960752224	/nfs/dbraw/zinc/75/22/24/960752224.db2.gz	UJSBJHZJPPCTTL-NSHDSACASA-N	-1	0	320.349	0.284	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2CC[C@H](c3nnn[n-]3)C2)c1	ZINC001363308073	960854154	/nfs/dbraw/zinc/85/41/54/960854154.db2.gz	LLWMBRRMKWCDLH-LBPRGKRZSA-N	-1	0	312.333	0.661	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2CC[C@@H](c3nnn[n-]3)C2)c1	ZINC001363308059	960854762	/nfs/dbraw/zinc/85/47/62/960854762.db2.gz	LLWMBRRMKWCDLH-GFCCVEGCSA-N	-1	0	312.333	0.661	20	30		DCEDRM
N#C[C@]1(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CCCOC1	ZINC001571085808	961059690	/nfs/dbraw/zinc/05/96/90/961059690.db2.gz	TZMWORRHISFWSJ-CQSZACIVSA-N	-1	0	304.306	0.354	20	30		DCEDRM
COC(=O)[C@H]1CSCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363438702	961155820	/nfs/dbraw/zinc/15/58/20/961155820.db2.gz	MZSJDPCWLMVEFL-SNVBAGLBSA-N	-1	0	321.358	0.698	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC001571105992	961268761	/nfs/dbraw/zinc/26/87/61/961268761.db2.gz	FQQIUHMOWZKMCD-ZYHUDNBSSA-N	-1	0	310.331	0.326	20	30		DCEDRM
N#CCc1ccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001363493130	961273643	/nfs/dbraw/zinc/27/36/43/961273643.db2.gz	VNMKTIDLPLHMBG-UHFFFAOYSA-N	-1	0	323.312	0.203	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC001571106563	961284450	/nfs/dbraw/zinc/28/44/50/961284450.db2.gz	RWEPQMNSALZDSJ-CYBMUJFWSA-N	-1	0	310.331	0.275	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571123046	961464095	/nfs/dbraw/zinc/46/40/95/961464095.db2.gz	LTEYLHHHIAZZBP-SNVBAGLBSA-N	-1	0	314.367	0.156	20	30		DCEDRM
C[C@H]1CN(C(=O)NCCc2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001571132637	961573013	/nfs/dbraw/zinc/57/30/13/961573013.db2.gz	FEEGEEIFGZEEBT-FZMZJTMJSA-N	-1	0	317.345	0.984	20	30		DCEDRM
Cn1nc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1C(=O)[O-]	ZINC001571139323	961648464	/nfs/dbraw/zinc/64/84/64/961648464.db2.gz	JJLSPIOLZNDMBI-SNVBAGLBSA-N	-1	0	318.337	0.322	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3ccc(F)s3)C2)c(=O)[n-]c1=O	ZINC001363683093	961693804	/nfs/dbraw/zinc/69/38/04/961693804.db2.gz	KZNAUIIFSYGGHZ-UHFFFAOYSA-N	-1	0	320.305	0.718	20	30		DCEDRM
CN(Cc1cc(=O)n2[n-]cc(C#N)c2n1)[C@@H]1CC(C)(C)OC1=O	ZINC001363796983	961907844	/nfs/dbraw/zinc/90/78/44/961907844.db2.gz	IGOMVDPUYPUASM-LLVKDONJSA-N	-1	0	315.333	0.832	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1	ZINC001336326035	961963851	/nfs/dbraw/zinc/96/38/51/961963851.db2.gz	HRJOVUNEHOPFGZ-JTQLQIEISA-N	-1	0	314.363	0.689	20	30		DCEDRM
C[C@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)c1nn(C)cc1[O-]	ZINC001363832898	961982888	/nfs/dbraw/zinc/98/28/88/961982888.db2.gz	POQLENDMYRNSDF-XPTSAGLGSA-N	-1	0	300.318	0.908	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1	ZINC001574046821	962120420	/nfs/dbraw/zinc/12/04/20/962120420.db2.gz	NDYNEDGZWZPCNB-UHFFFAOYSA-N	-1	0	318.289	0.094	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC001574047211	962127173	/nfs/dbraw/zinc/12/71/73/962127173.db2.gz	QUZRAHVEJLERDL-CYBMUJFWSA-N	-1	0	307.306	0.296	20	30		DCEDRM
N#CC[C@@]1(O)CCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1	ZINC001364006268	962279414	/nfs/dbraw/zinc/27/94/14/962279414.db2.gz	AMDVUOSLQTWURZ-GFCCVEGCSA-N	-1	0	300.311	0.570	20	30		DCEDRM
CCC[C@@H](OCC)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364105239	962477579	/nfs/dbraw/zinc/47/75/79/962477579.db2.gz	AITJJPZFRKXRCQ-LLVKDONJSA-N	-1	0	308.338	0.142	20	30		DCEDRM
C#CC[C@H](NC(=O)/C=C/c1cncc(C(=O)NC)c1)C(=O)[O-]	ZINC001573302716	962660775	/nfs/dbraw/zinc/66/07/75/962660775.db2.gz	PFEOILUJAAQMDE-FYJFLYSWSA-N	-1	0	301.302	0.047	20	30		DCEDRM
C#CCCCC(=O)N(C)C1CC(Nc2ccnc(C(=O)[O-])n2)C1	ZINC001573302985	962666242	/nfs/dbraw/zinc/66/62/42/962666242.db2.gz	ILIDRDUFSLRICM-UHFFFAOYSA-N	-1	0	316.361	0.802	20	30		DCEDRM
C=C(Br)CN1CC(N(C)C(=O)CNC(=O)[O-])C1	ZINC001573313152	962728164	/nfs/dbraw/zinc/72/81/64/962728164.db2.gz	CFKZSZSJAZUNFP-UHFFFAOYSA-N	-1	0	306.160	0.305	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1coc(S(C)(=O)=O)c1)C(=O)[O-]	ZINC001573323631	962774512	/nfs/dbraw/zinc/77/45/12/962774512.db2.gz	DUGBEQDCFCINHY-SECBINFHSA-N	-1	0	301.320	0.832	20	30		DCEDRM
C=C(C)CN1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])nn2)C1	ZINC001573324636	962789038	/nfs/dbraw/zinc/78/90/38/962789038.db2.gz	WFPVVVSBWVTURJ-QWHCGFSZSA-N	-1	0	319.365	0.048	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(C(=O)NCCOC)CC1	ZINC001573332212	962827867	/nfs/dbraw/zinc/82/78/67/962827867.db2.gz	KKXSHNIYCJSQCV-UHFFFAOYSA-N	-1	0	312.366	0.409	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(CC)CCNc1ccnc(C(=O)[O-])n1	ZINC001573347559	962948948	/nfs/dbraw/zinc/94/89/48/962948948.db2.gz	LQMQERNVROCOBN-OAHLLOKOSA-N	-1	0	322.365	0.184	20	30		DCEDRM
C=CCCC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)CNC(=O)[O-]	ZINC001573352883	962994455	/nfs/dbraw/zinc/99/44/55/962994455.db2.gz	LYRSPCGELYYTLV-VXGBXAGGSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=CCC(C)(C)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000312323476	963554253	/nfs/dbraw/zinc/55/42/53/963554253.db2.gz	CPWBMNMWOCIENV-UHFFFAOYSA-N	-1	0	301.368	0.848	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3[C@@H](CNC(=O)[C@@H](C)C#N)[C@@H]3C2)c1[O-]	ZINC001381353196	963993236	/nfs/dbraw/zinc/99/32/36/963993236.db2.gz	DPCCLAWWWZRUSO-DMLMCSCLSA-N	-1	0	317.349	0.018	20	30		DCEDRM
CCO[C@@H]1C[C@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)[C@@H]1OC	ZINC001448120930	1013765641	/nfs/dbraw/zinc/76/56/41/1013765641.db2.gz	QQVYJFPWRVSLHX-LOWVWBTDSA-N	-1	0	305.334	0.890	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC001608205174	970402178	/nfs/dbraw/zinc/40/21/78/970402178.db2.gz	WGZASAUOVPALTA-LBPRGKRZSA-N	-1	0	301.302	0.108	20	30		DCEDRM
CC1(C#N)CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	ZINC001603290615	972547994	/nfs/dbraw/zinc/54/79/94/972547994.db2.gz	RHKPANYEUSVEIF-JTQLQIEISA-N	-1	0	301.368	0.406	20	30		DCEDRM
Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001605224767	972976628	/nfs/dbraw/zinc/97/66/28/972976628.db2.gz	ZWJUGWBXHVBWTP-LLVKDONJSA-N	-1	0	313.273	0.911	20	30		DCEDRM
CC[C@@H](C#N)N(C)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001603488282	973417919	/nfs/dbraw/zinc/41/79/19/973417919.db2.gz	JTUTULJBRXFWOJ-VIFPVBQESA-N	-1	0	302.352	0.027	20	30		DCEDRM
Cc1nn(C)c(N2CCN(C(=O)C(C)(C)C(=O)[O-])CC2)c1C#N	ZINC001605434443	973480760	/nfs/dbraw/zinc/48/07/60/973480760.db2.gz	ZQVOCJFTISIEKU-UHFFFAOYSA-N	-1	0	319.365	0.360	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(c2nnc(CC(C)(C)C#N)n2C)C1	ZINC001604541289	973517897	/nfs/dbraw/zinc/51/78/97/973517897.db2.gz	MJPTXCDCIWWHPX-HNNXBMFYSA-N	-1	0	321.381	0.835	20	30		DCEDRM
CC[C@H](CNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001603549283	973610619	/nfs/dbraw/zinc/61/06/19/973610619.db2.gz	OQALTWXFRRLESC-CYBMUJFWSA-N	-1	0	317.345	0.744	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(c2nc(C)cc(C)c2C#N)CCO1	ZINC001604565891	973635499	/nfs/dbraw/zinc/63/54/99/973635499.db2.gz	ZVRKGSVXNVSQOO-HNNXBMFYSA-N	-1	0	305.334	0.877	20	30		DCEDRM
Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3ncncc3C#N)C2)cn1	ZINC001605489712	973635597	/nfs/dbraw/zinc/63/55/97/973635597.db2.gz	VHSNXNFCMJDANJ-WDEREUQCSA-N	-1	0	312.333	0.776	20	30		DCEDRM
N#CC1(C(=O)NCCOCCOCC(=O)[O-])CCSCC1	ZINC001605576722	973850745	/nfs/dbraw/zinc/85/07/45/973850745.db2.gz	SNVUPRNWLOLTEV-UHFFFAOYSA-N	-1	0	316.379	0.257	20	30		DCEDRM
N#CCC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001605581824	973862352	/nfs/dbraw/zinc/86/23/52/973862352.db2.gz	NIXYYPSCJLNWKB-WCQYABFASA-N	-1	0	301.302	0.443	20	30		DCEDRM
N#CCN1CCC(OC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CC1	ZINC001605586346	973880314	/nfs/dbraw/zinc/88/03/14/973880314.db2.gz	UFOCYBLPBNFGRV-YPMHNXCESA-N	-1	0	310.350	0.787	20	30		DCEDRM
N#Cc1ccc(F)c(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1	ZINC001605611139	973914770	/nfs/dbraw/zinc/91/47/70/973914770.db2.gz	HEVCLKBXIDBSRY-LBPRGKRZSA-N	-1	0	312.322	0.381	20	30		DCEDRM
CCOC(=O)c1c(NC(=O)NCC(=O)[O-])c(C#N)cn1CC	ZINC001603811045	974283443	/nfs/dbraw/zinc/28/34/43/974283443.db2.gz	SHDFKEPYJLUWIH-UHFFFAOYSA-N	-1	0	308.294	0.762	20	30		DCEDRM
CCOCc1nc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])no1	ZINC001603843498	974349009	/nfs/dbraw/zinc/34/90/09/974349009.db2.gz	SGZHFYWBUDAKPH-OQPBUACISA-N	-1	0	310.310	0.788	20	30		DCEDRM
C[C@@H](/C=C\C(=O)[O-])NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC001592200332	977195076	/nfs/dbraw/zinc/19/50/76/977195076.db2.gz	GTHUTMFPVXDBDR-ATRZURONSA-N	-1	0	301.302	0.434	20	30		DCEDRM
C#CC1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC000709596130	977460789	/nfs/dbraw/zinc/46/07/89/977460789.db2.gz	MZPRCJOFSCAUFF-UHFFFAOYSA-N	-1	0	300.380	0.373	20	30		DCEDRM
C#CC[C@H](COC)NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000716811182	977856219	/nfs/dbraw/zinc/85/62/19/977856219.db2.gz	LGCAWHQEFWYKIV-MRVPVSSYSA-N	-1	0	303.361	0.763	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001523014626	1014518346	/nfs/dbraw/zinc/51/83/46/1014518346.db2.gz	PTTMLLIAQFQCQH-MEBBXXQBSA-N	-1	0	322.365	0.082	20	30		DCEDRM
C[C@@](CO)(NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC001592750453	979312550	/nfs/dbraw/zinc/31/25/50/979312550.db2.gz	MYSZFGMMQLSYBP-NSHDSACASA-N	-1	0	304.368	0.215	20	30		DCEDRM
CC[C@@H](CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1)C(=O)[O-]	ZINC001595134608	979567983	/nfs/dbraw/zinc/56/79/83/979567983.db2.gz	YYIPGCUCGYUIBG-VIFPVBQESA-N	-1	0	304.306	0.427	20	30		DCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001592834544	979576390	/nfs/dbraw/zinc/57/63/90/979576390.db2.gz	RGFLYGCGUXNKQM-CYBMUJFWSA-N	-1	0	315.373	0.966	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001449746319	1014661209	/nfs/dbraw/zinc/66/12/09/1014661209.db2.gz	WGBKZGXKUTWMBJ-NEPJUHHUSA-N	-1	0	300.322	0.148	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)C1(C#N)CCSCC1)C(=O)[O-]	ZINC001573553265	983060653	/nfs/dbraw/zinc/06/06/53/983060653.db2.gz	KKNJTCIDIZHZLL-IUCAKERBSA-N	-1	0	313.379	0.117	20	30		DCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC	ZINC001588367688	983301187	/nfs/dbraw/zinc/30/11/87/983301187.db2.gz	AIGDOYLCFQLUIP-LURJTMIESA-N	-1	0	317.344	0.533	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1	ZINC001588375752	983347036	/nfs/dbraw/zinc/34/70/36/983347036.db2.gz	HONWBSAWMIOMAQ-UHFFFAOYSA-N	-1	0	308.240	0.646	20	30		DCEDRM
C#CC1(O)CCN(C(=O)NCc2ncc(C(=O)[O-])s2)CC1	ZINC001588379823	983366085	/nfs/dbraw/zinc/36/60/85/983366085.db2.gz	SPVJFCYKJPRIOK-UHFFFAOYSA-N	-1	0	309.347	0.511	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C1	ZINC001588382250	983369895	/nfs/dbraw/zinc/36/98/95/983369895.db2.gz	KZNNDCVUQKOMOR-UHFFFAOYSA-N	-1	0	315.734	0.407	20	30		DCEDRM
C#CCC(CC#C)C(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001588390302	983393078	/nfs/dbraw/zinc/39/30/78/983393078.db2.gz	QWGLFEVGKPATBS-CYBMUJFWSA-N	-1	0	305.330	0.658	20	30		DCEDRM
C#CCC(CC#C)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001588390538	983394634	/nfs/dbraw/zinc/39/46/34/983394634.db2.gz	XGIAJMJEAGIFQB-QGZVFWFLSA-N	-1	0	318.373	0.037	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001588393167	983396642	/nfs/dbraw/zinc/39/66/42/983396642.db2.gz	CLXIOUZQDJUZHI-JTQLQIEISA-N	-1	0	322.292	0.617	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)NCc1ccc(C(=O)[O-])s1	ZINC001588393493	983398058	/nfs/dbraw/zinc/39/80/58/983398058.db2.gz	GMEPEPGRMRCUDK-SECBINFHSA-N	-1	0	324.358	0.217	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)Nc1sc(C)cc1C(=O)[O-]	ZINC001588393482	983398317	/nfs/dbraw/zinc/39/83/17/983398317.db2.gz	GKRFKHSSWAIFLX-VIFPVBQESA-N	-1	0	324.358	0.848	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2	ZINC001588394006	983401198	/nfs/dbraw/zinc/40/11/98/983401198.db2.gz	LEBSKOMWSJLLNL-DTWKUNHWSA-N	-1	0	323.374	0.838	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)C(=O)[O-]	ZINC001588407059	983427259	/nfs/dbraw/zinc/42/72/59/983427259.db2.gz	VEZRSKFBTHAKDH-RYUDHWBXSA-N	-1	0	321.354	0.540	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1nccnc1NC(=O)C(C)(C)C)C(=O)[O-]	ZINC001588421290	983440086	/nfs/dbraw/zinc/44/00/86/983440086.db2.gz	FZYXGHZYNNCZMN-SECBINFHSA-N	-1	0	318.333	0.668	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cnn(CC(OCC)OCC)c1)C(=O)[O-]	ZINC001588422172	983444725	/nfs/dbraw/zinc/44/47/25/983444725.db2.gz	SKUMVLAQNBRDEJ-GFCCVEGCSA-N	-1	0	323.349	0.489	20	30		DCEDRM
C#CCC1(NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCOCC1	ZINC001588427957	983458979	/nfs/dbraw/zinc/45/89/79/983458979.db2.gz	SUKPBDQRUBICOJ-PHIMTYICSA-N	-1	0	301.364	0.342	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc2c1O[C@@H](C)C2)C(=O)[O-]	ZINC001588428541	983462562	/nfs/dbraw/zinc/46/25/62/983462562.db2.gz	RZDQJFQGZYGRPY-ONGXEEELSA-N	-1	0	309.343	0.765	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C	ZINC001588453683	983476833	/nfs/dbraw/zinc/47/68/33/983476833.db2.gz	MGQUBUSQOBETRF-UHFFFAOYSA-N	-1	0	303.318	0.529	20	30		DCEDRM
C#CCN(C(=O)C(=O)NCc1ccc(C(=O)[O-])s1)C(C)C	ZINC001588457854	983482302	/nfs/dbraw/zinc/48/23/02/983482302.db2.gz	HXSYEWQVWQILTJ-UHFFFAOYSA-N	-1	0	308.359	0.933	20	30		DCEDRM
C#CCN1CCC(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1	ZINC001588475883	983509519	/nfs/dbraw/zinc/50/95/19/983509519.db2.gz	IQNQYNLYHLXRNE-UHFFFAOYSA-N	-1	0	311.363	0.089	20	30		DCEDRM
C#CCOCCNC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC001588491413	983535883	/nfs/dbraw/zinc/53/58/83/983535883.db2.gz	MFDRBVVBVBCGMY-NSHDSACASA-N	-1	0	308.256	0.685	20	30		DCEDRM
C#CCOc1ccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cc1	ZINC001588497510	983539714	/nfs/dbraw/zinc/53/97/14/983539714.db2.gz	KNRILTAWNKGXPG-QWRGUYRKSA-N	-1	0	318.329	0.406	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c1	ZINC001588517920	983567038	/nfs/dbraw/zinc/56/70/38/983567038.db2.gz	JQFYDESVVOHKHF-OKILXGFUSA-N	-1	0	314.341	0.606	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CNC(=O)c1ncccc1O)C(=O)[O-]	ZINC001588542470	983608489	/nfs/dbraw/zinc/60/84/89/983608489.db2.gz	IAWCLJLKYJYXSE-SECBINFHSA-N	-1	0	307.306	0.053	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)[O-]	ZINC001588543086	983610591	/nfs/dbraw/zinc/61/05/91/983610591.db2.gz	WPJVSOKHLSNDII-ZUZCIYMTSA-N	-1	0	323.349	0.243	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001588546950	983617950	/nfs/dbraw/zinc/61/79/50/983617950.db2.gz	GARALKLNSYBBER-LBPRGKRZSA-N	-1	0	307.350	0.674	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-]	ZINC001588555811	983637362	/nfs/dbraw/zinc/63/73/62/983637362.db2.gz	SVRLIEJAZBPUKA-ZETCQYMHSA-N	-1	0	307.759	0.771	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1	ZINC001588599206	983688592	/nfs/dbraw/zinc/68/85/92/983688592.db2.gz	IMPHBAHACYRTSV-KWBADKCTSA-N	-1	0	309.322	0.948	20	30		DCEDRM
C=C(CC)CNC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC001588606198	983696430	/nfs/dbraw/zinc/69/64/30/983696430.db2.gz	YUZYMHWLUUFMFY-LBPRGKRZSA-N	-1	0	311.382	0.076	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@H](OCCOC)C[C@H](CO)C1	ZINC001588612576	983703402	/nfs/dbraw/zinc/70/34/02/983703402.db2.gz	SMATZVZXPVHCPV-QWHCGFSZSA-N	-1	0	315.366	0.280	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1c[nH]c(C#N)c1	ZINC001596332266	983769969	/nfs/dbraw/zinc/76/99/69/983769969.db2.gz	HAARGJWXGUASTH-RYUDHWBXSA-N	-1	0	318.333	0.185	20	30		DCEDRM
CCN(CCNC(=O)CSCC#N)c1ccnc(C(=O)[O-])n1	ZINC001596334834	983778720	/nfs/dbraw/zinc/77/87/20/983778720.db2.gz	UMZQSAIXPHHRLA-UHFFFAOYSA-N	-1	0	323.378	0.374	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001588683930	983853029	/nfs/dbraw/zinc/85/30/29/983853029.db2.gz	HMKFGIJVQKGBLN-NHYWBVRUSA-N	-1	0	320.349	0.515	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H](C)CCNc1ccnc(C(=O)[O-])n1	ZINC001588684245	983857025	/nfs/dbraw/zinc/85/70/25/983857025.db2.gz	NSVMNHOQHHXYTL-MEBBXXQBSA-N	-1	0	322.365	0.231	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588692658	983884608	/nfs/dbraw/zinc/88/46/08/983884608.db2.gz	GQGDKOJCOUQYCO-NSHDSACASA-N	-1	0	306.318	0.569	20	30		DCEDRM
C=C[C@H](OC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-]	ZINC001588705954	983929289	/nfs/dbraw/zinc/92/92/89/983929289.db2.gz	SQWOXLPSYBDRGY-SCZZXKLOSA-N	-1	0	306.336	0.151	20	30		DCEDRM
C=C[C@H](OC(=O)CCn1cnc2ccccc2c1=O)C(=O)[O-]	ZINC001588711387	983937372	/nfs/dbraw/zinc/93/73/72/983937372.db2.gz	OOPORJYGBJTIIG-LBPRGKRZSA-N	-1	0	302.286	0.969	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC001588744198	984041055	/nfs/dbraw/zinc/04/10/55/984041055.db2.gz	IKRKEWWGDSDUCK-ZETCQYMHSA-N	-1	0	321.301	0.878	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-]	ZINC001588753981	984090409	/nfs/dbraw/zinc/09/04/09/984090409.db2.gz	QQBQQEGSYRFEIF-SFYZADRCSA-N	-1	0	309.240	0.970	20	30		DCEDRM
C=CCCC(=O)N1CCOC2(CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)C1	ZINC001588774400	984152050	/nfs/dbraw/zinc/15/20/50/984152050.db2.gz	XWUSVEKEIUBSOF-NWDGAFQWSA-N	-1	0	322.361	0.113	20	30		DCEDRM
C=CCC[C@H](CO)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001588778490	984161045	/nfs/dbraw/zinc/16/10/45/984161045.db2.gz	BUCDEMSWXMMUJR-SSDOTTSWSA-N	-1	0	306.365	0.447	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OCC	ZINC001588778780	984163165	/nfs/dbraw/zinc/16/31/65/984163165.db2.gz	LTZLOTCHAUSVNL-OUAUKWLOSA-N	-1	0	319.379	0.667	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1cn(CC2(C)COC2)nn1)C(=O)[O-]	ZINC001588793692	984221076	/nfs/dbraw/zinc/22/10/76/984221076.db2.gz	XCFVDUPBOXDMCL-NSHDSACASA-N	-1	0	322.365	0.854	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588803804	984252330	/nfs/dbraw/zinc/25/23/30/984252330.db2.gz	LQIAKRFCTVQZKR-VHSXEESVSA-N	-1	0	305.352	0.088	20	30		DCEDRM
C=CCCn1cc(CN2CC[C@H](C(=O)[O-])C[C@@H]2C(=O)OC)nn1	ZINC001588820003	984280697	/nfs/dbraw/zinc/28/06/97/984280697.db2.gz	MEPIBAXXJBKLFA-WCQYABFASA-N	-1	0	322.365	0.692	20	30		DCEDRM
C=CCN([C@H](C)COC)S(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC001588820493	984284749	/nfs/dbraw/zinc/28/47/49/984284749.db2.gz	GNWVMWZFGCDATL-SNVBAGLBSA-N	-1	0	314.363	0.991	20	30		DCEDRM
C=CCN(CC=C)C(=O)COC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001588825446	984300892	/nfs/dbraw/zinc/30/08/92/984300892.db2.gz	QKZPTDMQOQLTCM-NQBHXWOUSA-N	-1	0	311.334	0.608	20	30		DCEDRM
C=CCN(CCOC)S(=O)(=O)c1csnc1C(=O)[O-]	ZINC001588828561	984307019	/nfs/dbraw/zinc/30/70/19/984307019.db2.gz	AWCAHZYOEYOGIJ-UHFFFAOYSA-N	-1	0	306.365	0.664	20	30		DCEDRM
C=CCNC(=O)CN1CCN([C@@H](C(=O)[O-])c2ccsc2)CC1	ZINC001588838854	984341731	/nfs/dbraw/zinc/34/17/31/984341731.db2.gz	KHPJMJACKWZJLT-CQSZACIVSA-N	-1	0	323.418	0.794	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(C(=O)[O-])n1	ZINC001588844087	984356155	/nfs/dbraw/zinc/35/61/55/984356155.db2.gz	PMJBLGWPSBQDHW-QMMMGPOBSA-N	-1	0	321.289	0.337	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C(C)(C)S(=O)(=O)C1CC1)C(=O)[O-]	ZINC001588850935	984381455	/nfs/dbraw/zinc/38/14/55/984381455.db2.gz	KSYYQZPBNNDOHC-SNVBAGLBSA-N	-1	0	319.379	0.114	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1)C(=O)[O-]	ZINC001588851082	984383015	/nfs/dbraw/zinc/38/30/15/984383015.db2.gz	TYLFUEYATQYDNU-GFCCVEGCSA-N	-1	0	306.318	0.706	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCCn1ccccc1=O)C(=O)[O-]	ZINC001588854203	984388666	/nfs/dbraw/zinc/38/86/66/984388666.db2.gz	QYCMEWRZYOUGSI-LBPRGKRZSA-N	-1	0	308.334	0.401	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001524656636	1015031711	/nfs/dbraw/zinc/03/17/11/1015031711.db2.gz	SFZSIGYIEVWVDX-LBPRGKRZSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1nnc2ccccc2c1O)C(=O)[O-]	ZINC001588860509	984413574	/nfs/dbraw/zinc/41/35/74/984413574.db2.gz	WMZKSJUINYTDLZ-LLVKDONJSA-N	-1	0	317.301	0.721	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cccnc1F)C(=O)[O-]	ZINC001588866590	984426234	/nfs/dbraw/zinc/42/62/34/984426234.db2.gz	MESYLYRPGKNYTD-QMMMGPOBSA-N	-1	0	304.299	0.155	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001588878992	984456153	/nfs/dbraw/zinc/45/61/53/984456153.db2.gz	QIHYCFXRGFJDHC-UHFFFAOYSA-N	-1	0	311.363	0.995	20	30		DCEDRM
C=CCn1c(-c2cc[nH]n2)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588889767	984481895	/nfs/dbraw/zinc/48/18/95/984481895.db2.gz	DBCNEIQAUBAKIL-JTQLQIEISA-N	-1	0	318.337	0.534	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588900154	984520060	/nfs/dbraw/zinc/52/00/60/984520060.db2.gz	BQQWSXYYVZTASL-YGRLFVJLSA-N	-1	0	310.354	0.067	20	30		DCEDRM
C=CCn1c(CCOCC)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588900419	984521108	/nfs/dbraw/zinc/52/11/08/984521108.db2.gz	GSDPHSCJIGBRAD-HNNXBMFYSA-N	-1	0	324.381	0.723	20	30		DCEDRM
C=CCn1c(N2CCO[C@H](CC(=O)[O-])C2)nnc1C1(O)CC1	ZINC001588904798	984532236	/nfs/dbraw/zinc/53/22/36/984532236.db2.gz	CQFOLRCXXUYNRY-SNVBAGLBSA-N	-1	0	308.338	0.125	20	30		DCEDRM
C=CCn1cc(CNC(=O)Nc2c(C(=O)[O-])cnn2C)nn1	ZINC001588909448	984544238	/nfs/dbraw/zinc/54/42/38/984544238.db2.gz	UUTXZXQBONSRQB-UHFFFAOYSA-N	-1	0	305.298	0.218	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)OCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC	ZINC001588916651	984562400	/nfs/dbraw/zinc/56/24/00/984562400.db2.gz	XRUBFZLOESMSFD-DCQANWLSSA-N	-1	0	313.350	0.736	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001588916728	984562969	/nfs/dbraw/zinc/56/29/69/984562969.db2.gz	AWQQIAJGBJJNKQ-MNOVXSKESA-N	-1	0	303.380	0.894	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588917894	984568154	/nfs/dbraw/zinc/56/81/54/984568154.db2.gz	HHTBYLNHUPBQBF-HHHUOAJASA-N	-1	0	305.338	0.031	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC001588925513	984587546	/nfs/dbraw/zinc/58/75/46/984587546.db2.gz	RXEWEYVEGRIOGW-VIFPVBQESA-N	-1	0	315.347	0.593	20	30		DCEDRM
C/C(=C\C(=O)[O-])Cn1cc(CN2CCOCC2)cc(C#N)c1=O	ZINC001588952328	984684994	/nfs/dbraw/zinc/68/49/94/984684994.db2.gz	NOTWEQHTADFLNX-WUXMJOGZSA-N	-1	0	317.345	0.583	20	30		DCEDRM
CCOCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC001596916835	985952509	/nfs/dbraw/zinc/95/25/09/985952509.db2.gz	MJASFOUHGBUHRD-GRYCIOLGSA-N	-1	0	310.350	0.739	20	30		DCEDRM
Cc1c(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cnn1CCC#N	ZINC001599981822	986173892	/nfs/dbraw/zinc/17/38/92/986173892.db2.gz	UGWSMGAMEFWRLC-ZYHUDNBSSA-N	-1	0	306.322	0.325	20	30		DCEDRM
Cc1c(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cnn1CCC#N	ZINC001599982726	986186194	/nfs/dbraw/zinc/18/61/94/986186194.db2.gz	UYLOQERLUNTAAB-GFCCVEGCSA-N	-1	0	316.321	0.254	20	30		DCEDRM
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001589340107	986247514	/nfs/dbraw/zinc/24/75/14/986247514.db2.gz	VQEGZNCHFUHARP-IINYFYTJSA-N	-1	0	308.338	0.052	20	30		DCEDRM
C[C@@H](C(=O)NCc1ccc(C(=O)[O-])s1)n1cnc(C#N)n1	ZINC001589414689	986637298	/nfs/dbraw/zinc/63/72/98/986637298.db2.gz	KWMGKLPKRRLQHF-ZETCQYMHSA-N	-1	0	305.319	0.787	20	30		DCEDRM
CC(C)(C#N)c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1CC1CC1	ZINC001589560386	987313062	/nfs/dbraw/zinc/31/30/62/987313062.db2.gz	BAXJYMVDCKDTRH-LLVKDONJSA-N	-1	0	319.365	0.779	20	30		DCEDRM
CC(C)(C)[C@](C)(C#N)NC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001589698310	987779901	/nfs/dbraw/zinc/77/99/01/987779901.db2.gz	AILIGEWRAHWCNI-HNNXBMFYSA-N	-1	0	305.334	0.991	20	30		DCEDRM
CSC[C@](C)(C#N)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC001599789514	987983898	/nfs/dbraw/zinc/98/38/98/987983898.db2.gz	IXJRRCVHHVFSIF-NSHDSACASA-N	-1	0	317.392	0.647	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H](CF)C(=O)[O-]	ZINC001589866399	988471332	/nfs/dbraw/zinc/47/13/32/988471332.db2.gz	FBYJTJDJZHMNQX-AMIZOPFISA-N	-1	0	302.302	0.787	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001599867964	989301508	/nfs/dbraw/zinc/30/15/08/989301508.db2.gz	JCFCONCVDNODIK-MFKMUULPSA-N	-1	0	324.358	0.562	20	30		DCEDRM
CCc1oc(C=NNC(=S)NCC(=O)NC)cc1C(=O)[O-]	ZINC001597792962	989337431	/nfs/dbraw/zinc/33/74/31/989337431.db2.gz	NZAZZDHINCNXLI-UHFFFAOYSA-N	-1	0	312.351	0.084	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC001590616452	990291590	/nfs/dbraw/zinc/29/15/90/990291590.db2.gz	AMYNGCMTWDBSCS-GFCCVEGCSA-N	-1	0	304.368	0.479	20	30		DCEDRM
CC(C)(CNC(=O)C(=O)NCC#Cc1ccccc1)CC(=O)[O-]	ZINC001590703221	990436201	/nfs/dbraw/zinc/43/62/01/990436201.db2.gz	XAEJEWRGUGZCON-UHFFFAOYSA-N	-1	0	316.357	0.771	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001590926986	990929051	/nfs/dbraw/zinc/92/90/51/990929051.db2.gz	NPUMCTJXHNZPFD-LBPRGKRZSA-N	-1	0	316.361	0.659	20	30		DCEDRM
CC(C)C#CC(=O)NCC1(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001590927913	990937883	/nfs/dbraw/zinc/93/78/83/990937883.db2.gz	NVCOHKDJKJKLDZ-OLZOCXBDSA-N	-1	0	320.389	0.769	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccnc(C(=O)[O-])c1	ZINC001590961218	991056788	/nfs/dbraw/zinc/05/67/88/991056788.db2.gz	OOCFVYTYMRYCPG-OAHLLOKOSA-N	-1	0	319.317	0.991	20	30		DCEDRM
CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccnc(C#N)n1	ZINC001598478934	992118460	/nfs/dbraw/zinc/11/84/60/992118460.db2.gz	DJFAURFDZZBXCS-UWVGGRQHSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(C#N)nn1	ZINC001598478988	992119467	/nfs/dbraw/zinc/11/94/67/992119467.db2.gz	FXWILGZXSQFODU-QWRGUYRKSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cncc(C#N)n1	ZINC001598479681	992129015	/nfs/dbraw/zinc/12/90/15/992129015.db2.gz	KTDVSIQJIXOBKY-QWRGUYRKSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CCCCCC#N)C(=O)[O-]	ZINC001599762917	992146523	/nfs/dbraw/zinc/14/65/23/992146523.db2.gz	MEIYOPFHVDWHJV-GXFFZTMASA-N	-1	0	316.379	0.465	20	30		DCEDRM
CN(CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)C#CC(C)(C)C	ZINC001598485950	992206810	/nfs/dbraw/zinc/20/68/10/992206810.db2.gz	HWGJZDNPLIFQHE-NWDGAFQWSA-N	-1	0	308.378	0.673	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](CNC(=O)[C@H](C)C#N)C(C)C)c1[O-]	ZINC001399613330	993609288	/nfs/dbraw/zinc/60/92/88/993609288.db2.gz	JBHCTYWXXKQROC-SCZZXKLOSA-N	-1	0	307.354	0.454	20	30		DCEDRM
COc1ccc(S(=O)(=O)N(CC#N)CCC(=O)[O-])cc1F	ZINC001599607821	993909833	/nfs/dbraw/zinc/90/98/33/993909833.db2.gz	LUQOUCZNFGPKOZ-UHFFFAOYSA-N	-1	0	316.310	0.823	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1ncc[n-]1)C(=O)OCC	ZINC001464257487	1015895187	/nfs/dbraw/zinc/89/51/87/1015895187.db2.gz	NDLIASPKZFJMKR-QMMMGPOBSA-N	-1	0	307.759	0.762	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1	ZINC001598716687	995418865	/nfs/dbraw/zinc/41/88/65/995418865.db2.gz	QSFRMRYBAQBXAE-LLVKDONJSA-N	-1	0	321.333	0.648	20	30		DCEDRM
COC(=O)C1=CC[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001598730097	995550129	/nfs/dbraw/zinc/55/01/29/995550129.db2.gz	SOCPVJIODLVUEK-LLVKDONJSA-N	-1	0	321.333	0.648	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1c[nH]c(C#N)c1	ZINC001598747128	995605782	/nfs/dbraw/zinc/60/57/82/995605782.db2.gz	WGRWADBPBAZIFE-KCJUWKMLSA-N	-1	0	305.290	0.365	20	30		DCEDRM
C[C@@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(=O)NC1(C#N)CCC1	ZINC001593547231	995622413	/nfs/dbraw/zinc/62/24/13/995622413.db2.gz	KUILSLSAXXQCPW-MXWKQRLJSA-N	-1	0	308.334	0.981	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1(C(=O)[O-])CC(CO)C1	ZINC001593611729	995809803	/nfs/dbraw/zinc/80/98/03/995809803.db2.gz	DZDAVGXMKOCZKH-LWOUBBNUSA-N	-1	0	318.329	0.667	20	30		DCEDRM
CO[C@@H](C)CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001465260322	1015991087	/nfs/dbraw/zinc/99/10/87/1015991087.db2.gz	SFBWUWBCVZRGAF-NSHDSACASA-N	-1	0	322.365	0.483	20	30		DCEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001465363387	1015997148	/nfs/dbraw/zinc/99/71/48/1015997148.db2.gz	JQRPPXQNASKXJF-MEBBXXQBSA-N	-1	0	315.333	0.409	20	30		DCEDRM
CC1(C)[C@@H](CS(=O)(=O)N(CC#N)CCC(=O)[O-])C1(F)F	ZINC001593832794	996579282	/nfs/dbraw/zinc/57/92/82/996579282.db2.gz	JLWCNBDKWRAQSJ-MRVPVSSYSA-N	-1	0	310.322	0.908	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)/C=C\C(=O)c1ccc(C)cc1	ZINC001598861168	996675731	/nfs/dbraw/zinc/67/57/31/996675731.db2.gz	YWJRVNNGTSMEDI-FPLPWBNLSA-N	-1	0	319.313	0.820	20	30		DCEDRM
COC(=O)Cc1ccc(NN=Cc2cn(CC(=O)[O-])nn2)cc1	ZINC001598871600	996739824	/nfs/dbraw/zinc/73/98/24/996739824.db2.gz	GJTNJIIDVNQSJP-UHFFFAOYSA-N	-1	0	317.305	0.524	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2cccc(C#N)c2)C1	ZINC001599076959	996892610	/nfs/dbraw/zinc/89/26/10/996892610.db2.gz	BTGOEGGFQWTYBL-HNNXBMFYSA-N	-1	0	303.318	0.672	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(Cn2cc3c(c(C#N)c2=O)CCC3)C1	ZINC001599078781	996944142	/nfs/dbraw/zinc/94/41/42/996944142.db2.gz	KTKSOLNKOCSQPN-MRXNPFEDSA-N	-1	0	317.345	0.342	20	30		DCEDRM
COCC1(C)CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001599195454	997207411	/nfs/dbraw/zinc/20/74/11/997207411.db2.gz	QSYVLZKUWOIMBN-UHFFFAOYSA-N	-1	0	324.358	0.913	20	30		DCEDRM
CON=Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)cc1	ZINC001599320236	997569298	/nfs/dbraw/zinc/56/92/98/997569298.db2.gz	FEJNHAMGBLJVOK-NSHDSACASA-N	-1	0	308.290	0.413	20	30		DCEDRM
CON=Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)cc1	ZINC001599320873	997579464	/nfs/dbraw/zinc/57/94/64/997579464.db2.gz	PMWSTQQNDATRAX-CYBMUJFWSA-N	-1	0	316.317	0.956	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001599235590	997938828	/nfs/dbraw/zinc/93/88/28/997938828.db2.gz	FFBSJOZVRVZAOG-VXGBXAGGSA-N	-1	0	318.395	0.822	20	30		DCEDRM
COc1ccc(CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)nc1	ZINC001599547664	997951019	/nfs/dbraw/zinc/95/10/19/997951019.db2.gz	WHBMASUEEWIQFO-UHFFFAOYSA-N	-1	0	303.318	0.850	20	30		DCEDRM
CCCCCCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001467626232	1016188326	/nfs/dbraw/zinc/18/83/26/1016188326.db2.gz	XRMUBJWJYWBDJL-UHFFFAOYSA-N	-1	0	307.354	0.700	20	30		DCEDRM
COCCn1c(CCCC#N)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001599268004	998501796	/nfs/dbraw/zinc/50/17/96/998501796.db2.gz	DNTWRLAVEVJDKM-NSHDSACASA-N	-1	0	307.354	0.682	20	30		DCEDRM
CO[C@H](CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C(F)(F)F	ZINC001599050481	999183810	/nfs/dbraw/zinc/18/38/10/999183810.db2.gz	BMXDYWCLGSEARY-MRVPVSSYSA-N	-1	0	323.271	0.964	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)NCC2(C#N)CCOCC2)C1	ZINC001599071128	999333454	/nfs/dbraw/zinc/33/34/54/999333454.db2.gz	BXEKYGXNMYWJEM-CQSZACIVSA-N	-1	0	311.338	0.192	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCCC2(O)CCC2)c(=O)[n-]c1=O	ZINC001469116865	1016311343	/nfs/dbraw/zinc/31/13/43/1016311343.db2.gz	LZOYJOMCODUARP-UHFFFAOYSA-N	-1	0	320.349	0.022	20	30		DCEDRM
CC1(C)C(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1(C)C	ZINC001418536226	1000323592	/nfs/dbraw/zinc/32/35/92/1000323592.db2.gz	JUVBWVNTPHNYMK-UHFFFAOYSA-N	-1	0	304.350	0.619	20	30		DCEDRM
CO[C@@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001418553106	1000340397	/nfs/dbraw/zinc/34/03/97/1000340397.db2.gz	AXIWXKCMNCGGAU-LBPRGKRZSA-N	-1	0	320.349	0.142	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCOC[C@H]2c2nnn[n-]2)c1	ZINC001470932240	1016503918	/nfs/dbraw/zinc/50/39/18/1016503918.db2.gz	HVLAWPQDSTWHLW-LBPRGKRZSA-N	-1	0	314.305	0.050	20	30		DCEDRM
N#Cc1cncc(CNS(=O)(=O)Cc2noc(C3CC3)n2)c1	ZINC001424696900	1001924434	/nfs/dbraw/zinc/92/44/34/1001924434.db2.gz	FLBDSIGYVGHZKG-UHFFFAOYSA-N	-1	0	319.346	0.833	20	30		DCEDRM
Cc1nc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)ccc1C#N	ZINC001471854382	1016676066	/nfs/dbraw/zinc/67/60/66/1016676066.db2.gz	UXTKYOARDROEQE-LLVKDONJSA-N	-1	0	311.349	0.870	20	30		DCEDRM
N#Cc1ccc(O[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]3)C2)nc1	ZINC001420965556	1003183257	/nfs/dbraw/zinc/18/32/57/1003183257.db2.gz	XHVFQUHDTIFXHJ-VIFPVBQESA-N	-1	0	300.278	0.070	20	30		DCEDRM
CC(=O)Nc1ccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1C	ZINC001421046818	1003264329	/nfs/dbraw/zinc/26/43/29/1003264329.db2.gz	PXYUOLOAEPAOEM-UHFFFAOYSA-N	-1	0	313.317	0.956	20	30		DCEDRM
C[C@H](O)C[C@H]1CCCCCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421123292	1003345184	/nfs/dbraw/zinc/34/51/84/1003345184.db2.gz	RVWAJPVTTMAYDF-WDEREUQCSA-N	-1	0	306.366	0.465	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2nccc(C(F)F)n2)c(C#N)c1=O	ZINC001421151006	1003383688	/nfs/dbraw/zinc/38/36/88/1003383688.db2.gz	AWHQSXZFEFKZPA-UHFFFAOYSA-N	-1	0	308.248	0.285	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NCc2ccsc2)c(=O)[n-]c1=O	ZINC001426511038	1003804388	/nfs/dbraw/zinc/80/43/88/1003804388.db2.gz	QPJNCSFZLPVEKM-UHFFFAOYSA-N	-1	0	319.346	0.381	20	30		DCEDRM
C[C@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@H](C(N)=O)C1	ZINC001473408928	1016928296	/nfs/dbraw/zinc/92/82/96/1016928296.db2.gz	JFVUHOSQKWMCCL-CABZTGNLSA-N	-1	0	314.349	0.392	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]2CN(C)C(=O)C#CC2CC2)c1[O-]	ZINC001514608317	1016989565	/nfs/dbraw/zinc/98/95/65/1016989565.db2.gz	YPJGSFPWIWLIPF-LBPRGKRZSA-N	-1	0	316.361	0.510	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2ccc(F)cc2F)c(=O)[n-]c1=O	ZINC001417607485	1005850423	/nfs/dbraw/zinc/85/04/23/1005850423.db2.gz	CXVBTIQSGJZEFC-UHFFFAOYSA-N	-1	0	320.255	0.415	20	30		DCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1cccc(C#N)c1	ZINC001417618625	1005852760	/nfs/dbraw/zinc/85/27/60/1005852760.db2.gz	XRJALVVKSVESPE-UHFFFAOYSA-N	-1	0	323.312	0.745	20	30		DCEDRM
Cc1cccc(CCNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001417629233	1005855217	/nfs/dbraw/zinc/85/52/17/1005855217.db2.gz	IBIGRLNGYFEJKV-UHFFFAOYSA-N	-1	0	312.329	0.488	20	30		DCEDRM
C#CC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC001545885760	1005983521	/nfs/dbraw/zinc/98/35/21/1005983521.db2.gz	HVBBJRMATDPWQT-AWEZNQCLSA-N	-1	0	322.324	0.701	20	30		DCEDRM
Cn1[n-]nnc1=NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	ZINC001520130115	1017252226	/nfs/dbraw/zinc/25/22/26/1017252226.db2.gz	ATMFGCYPLLIUCA-UHFFFAOYSA-N	-1	0	324.300	0.928	20	30		DCEDRM
Cc1ccccc1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001440435079	1007764484	/nfs/dbraw/zinc/76/44/84/1007764484.db2.gz	KYOZISYDLAEJPB-UHFFFAOYSA-N	-1	0	312.329	0.836	20	30		DCEDRM
C[C@@]1(C#N)CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CCO1	ZINC001434401696	1009908049	/nfs/dbraw/zinc/90/80/49/1009908049.db2.gz	ZQMMBOKFBQDEAQ-OAHLLOKOSA-N	-1	0	314.301	0.785	20	30		DCEDRM
COC[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)c1nnn[n-]1	ZINC001455728553	1009934972	/nfs/dbraw/zinc/93/49/72/1009934972.db2.gz	ILUAGPOLMFCYBQ-GFCCVEGCSA-N	-1	0	316.321	0.148	20	30		DCEDRM
CC1(C)C[S@@](=O)CCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001434483464	1010012102	/nfs/dbraw/zinc/01/21/02/1010012102.db2.gz	HRBNUWOBAZZKBS-QFIPXVFZSA-N	-1	0	319.390	0.649	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2ncc(Br)cc2[O-])CCO1	ZINC001443311508	1010309043	/nfs/dbraw/zinc/30/90/43/1010309043.db2.gz	KYGJOYGXOLXHRO-QMMMGPOBSA-N	-1	0	312.123	0.914	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cc(=O)c(O)co1	ZINC001456744251	1011431176	/nfs/dbraw/zinc/43/11/76/1011431176.db2.gz	AWAZJEPIERSEOV-UHFFFAOYSA-N	-1	0	301.258	0.556	20	30		DCEDRM
C=CCCC(=O)NC[C@@H](C)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001533729807	1011486187	/nfs/dbraw/zinc/48/61/87/1011486187.db2.gz	XTRLSDIDUMWKLM-SNVBAGLBSA-N	-1	0	317.349	0.223	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)n1	ZINC001557739650	1012299712	/nfs/dbraw/zinc/29/97/12/1012299712.db2.gz	QGMVWVGBGLFRHG-UHFFFAOYSA-N	-1	0	309.289	0.680	20	30		DCEDRM
N#CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1	ZINC001557981256	1012310695	/nfs/dbraw/zinc/31/06/95/1012310695.db2.gz	PGCWADVHSYAVPH-UHFFFAOYSA-N	-1	0	304.306	0.972	20	30		DCEDRM
C=CCOCCCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001565082702	1012543333	/nfs/dbraw/zinc/54/33/33/1012543333.db2.gz	XIVSYTSLXQISFQ-LLVKDONJSA-N	-1	0	309.370	0.992	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(CCNC(=O)[C@H](C)C#N)C2CC2)c1[O-]	ZINC001429944727	1012980749	/nfs/dbraw/zinc/98/07/49/1012980749.db2.gz	OKBZVASMEFEBEK-MRVPVSSYSA-N	-1	0	305.338	0.304	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1C[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001509848665	1017450263	/nfs/dbraw/zinc/45/02/63/1017450263.db2.gz	JNVORAMUEQHCGT-HAQNSBGRSA-N	-1	0	318.377	0.852	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@]2(C)C=CCC2)n1	ZINC001479607607	1017599546	/nfs/dbraw/zinc/59/95/46/1017599546.db2.gz	WOCPRGDWAZJVNJ-MRXNPFEDSA-N	-1	0	300.362	0.878	20	30		DCEDRM
C=CCOCC(=O)NC[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C(C)C	ZINC001500771006	1018648509	/nfs/dbraw/zinc/64/85/09/1018648509.db2.gz	HZTTYGKEEJLGSI-LLVKDONJSA-N	-1	0	324.381	0.497	20	30		DCEDRM
C=CCOCC(=O)NC[C@H](CC)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001498966622	1019589180	/nfs/dbraw/zinc/58/91/80/1019589180.db2.gz	NISWWPLXWAQOPO-JTQLQIEISA-N	-1	0	310.354	0.251	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)OCC	ZINC001498985539	1019616306	/nfs/dbraw/zinc/61/63/06/1019616306.db2.gz	JBUXXDQGNIADKR-NWDGAFQWSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001502124114	1019742443	/nfs/dbraw/zinc/74/24/43/1019742443.db2.gz	KTXWCNMQCWLNCW-VXGBXAGGSA-N	-1	0	321.381	0.019	20	30		DCEDRM
COC(=O)N[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001606496180	1170220494	/nfs/dbraw/zinc/22/04/94/1170220494.db2.gz	PGHVXPRGTSZBOW-KWQFWETISA-N	-1	0	306.274	0.972	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)n1	ZINC001608225448	1170619781	/nfs/dbraw/zinc/61/97/81/1170619781.db2.gz	PILRNZPSXAFFRT-JTQLQIEISA-N	-1	0	317.227	0.015	20	30		DCEDRM
O=C(Nc1nc2c(s1)COCC2)N[C@H]1CCCN(O)C1=O	ZINC001623131828	1171433360	/nfs/dbraw/zinc/43/33/60/1171433360.db2.gz	LEGOVDDEBIKHRD-QMMMGPOBSA-N	-1	0	312.351	0.718	20	30		DCEDRM
CN(CC#N)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000339253323	529823908	/nfs/dbraw/zinc/82/39/08/529823908.db2.gz	KRQUXHJLCVUGRL-UHFFFAOYSA-N	-1	0	303.290	0.225	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])ccc1C#N	ZINC000235840716	201921949	/nfs/dbraw/zinc/92/19/49/201921949.db2.gz	QTNWHPZWNIURJJ-PWSUYJOCSA-N	-1	0	310.331	0.075	20	30		DCEDRM
C=CCOCCCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000272677841	210083208	/nfs/dbraw/zinc/08/32/08/210083208.db2.gz	YCFODHMBBNGYQC-LLVKDONJSA-N	-1	0	300.355	0.407	20	30		DCEDRM
C[C@H](CN(C)C(=O)Cc1ccc(OCC#N)cc1)c1nnn[n-]1	ZINC000273456441	238289464	/nfs/dbraw/zinc/28/94/64/238289464.db2.gz	DSNLAFMOQABNGH-LLVKDONJSA-N	-1	0	314.349	0.907	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000273828766	238290528	/nfs/dbraw/zinc/29/05/28/238290528.db2.gz	WBNGUSQYJSSGGL-LBPRGKRZSA-N	-1	0	324.358	0.617	20	30		DCEDRM
Cc1cc(N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c(C#N)cn1	ZINC000424379318	240257621	/nfs/dbraw/zinc/25/76/21/240257621.db2.gz	VIUQHHBEZROUAT-OCCSQVGLSA-N	-1	0	316.361	0.806	20	30		DCEDRM
C#CCN(CC)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000490799648	241104074	/nfs/dbraw/zinc/10/40/74/241104074.db2.gz	IZLIZNTVTYFGJH-UHFFFAOYSA-N	-1	0	308.319	0.080	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1(NC(=O)OC(C)(C)C)CC1	ZINC000494588661	241205044	/nfs/dbraw/zinc/20/50/44/241205044.db2.gz	DSNSUGWAWWEOSB-UHFFFAOYSA-N	-1	0	304.368	0.676	20	30		DCEDRM
COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000494079483	241199432	/nfs/dbraw/zinc/19/94/32/241199432.db2.gz	UHHGNPJYFZILMS-QMMMGPOBSA-N	-1	0	311.319	0.108	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cc(OC)cc(OC)c1	ZINC000275199248	212190491	/nfs/dbraw/zinc/19/04/91/212190491.db2.gz	AVTAIJCAAHOMDS-UHFFFAOYSA-N	-1	0	315.347	0.965	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-]	ZINC000274984007	212058290	/nfs/dbraw/zinc/05/82/90/212058290.db2.gz	JXHIFQRVIHKCNK-ZDUSSCGKSA-N	-1	0	324.358	0.790	20	30		DCEDRM
C#C[C@H](C)NC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O	ZINC000274740965	211890230	/nfs/dbraw/zinc/89/02/30/211890230.db2.gz	JWWMEFNKARJPRC-VIFPVBQESA-N	-1	0	323.374	0.768	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2CC(=O)N(C)C2)cc1C#N	ZINC000338745530	252987578	/nfs/dbraw/zinc/98/75/78/252987578.db2.gz	MUMZWZIXDSXHGL-QMMMGPOBSA-N	-1	0	306.347	0.341	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](NC(=O)OCC)C(C)C	ZINC000496829075	533074840	/nfs/dbraw/zinc/07/48/40/533074840.db2.gz	QLIKEHCKNYTCNI-SNVBAGLBSA-N	-1	0	304.368	0.226	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2noc3c2CCCC3)cn1	ZINC000048676798	395821981	/nfs/dbraw/zinc/82/19/81/395821981.db2.gz	JUZRQEZALWRWCR-UHFFFAOYSA-N	-1	0	310.335	0.980	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[C@H]1C(=O)[O-]	ZINC000276128302	395989762	/nfs/dbraw/zinc/98/97/62/395989762.db2.gz	MPTHPMGTSKEADF-BXKDBHETSA-N	-1	0	309.347	0.685	20	30		DCEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]N2CCCNC2=O)c1	ZINC000276734224	396024545	/nfs/dbraw/zinc/02/45/45/396024545.db2.gz	RBXFITYJEDFZGR-UHFFFAOYSA-N	-1	0	314.754	0.820	20	30		DCEDRM
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@H](C(=O)[O-])C1	ZINC000159700144	396070672	/nfs/dbraw/zinc/07/06/72/396070672.db2.gz	YUFQXSIBKXMQEM-SKDRFNHKSA-N	-1	0	309.347	0.827	20	30		DCEDRM
COC[C@@](C)(NC(=O)COc1ccc(C#N)cc1OC)C(=O)[O-]	ZINC000262061976	396095342	/nfs/dbraw/zinc/09/53/42/396095342.db2.gz	HFLNTUKSEHGEBL-OAHLLOKOSA-N	-1	0	322.317	0.552	20	30		DCEDRM
COCCCOC1(Cn2c(=O)[n-]cc(C#N)c2=O)CCCC1	ZINC000580773726	396499356	/nfs/dbraw/zinc/49/93/56/396499356.db2.gz	IVYAJJWGNQRBOS-UHFFFAOYSA-N	-1	0	307.350	0.774	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594536845	396485098	/nfs/dbraw/zinc/48/50/98/396485098.db2.gz	HUDPLJORXJECOY-CYBMUJFWSA-N	-1	0	317.345	0.647	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000594538015	396485143	/nfs/dbraw/zinc/48/51/43/396485143.db2.gz	JGEIKSWVSGPZJP-ZJUUUORDSA-N	-1	0	303.318	0.572	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@](C)(C#N)C1)C(=O)[O-]	ZINC000594542628	396485722	/nfs/dbraw/zinc/48/57/22/396485722.db2.gz	FMPJZCWNHDMIKC-ABAIWWIYSA-N	-1	0	309.366	0.612	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000581194603	396534007	/nfs/dbraw/zinc/53/40/07/396534007.db2.gz	GFXHJLXQPREUKP-SRVKXCTJSA-N	-1	0	317.411	0.803	20	30		DCEDRM
CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)N(CCC#N)CCOC	ZINC000581610999	396569803	/nfs/dbraw/zinc/56/98/03/396569803.db2.gz	KICNSCZKJPWBCD-NSHDSACASA-N	-1	0	321.399	0.136	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000582363756	396605922	/nfs/dbraw/zinc/60/59/22/396605922.db2.gz	IDAPCNGCUKZRPL-GMTAPVOTSA-N	-1	0	303.384	0.365	20	30		DCEDRM
N#Cc1cc2c(nc1N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1O)CCOC2	ZINC000595977267	396701963	/nfs/dbraw/zinc/70/19/63/396701963.db2.gz	FRWRKILJVVGTQB-WQHBLYJGSA-N	-1	0	303.318	0.662	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000589974766	396733414	/nfs/dbraw/zinc/73/34/14/396733414.db2.gz	FZQHIVBCFNMCFJ-JTQLQIEISA-N	-1	0	302.283	0.075	20	30		DCEDRM
COC[C@](C)(O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000611023509	396808704	/nfs/dbraw/zinc/80/87/04/396808704.db2.gz	DNNNLOSYDFODBD-GFCCVEGCSA-N	-1	0	320.317	0.512	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000592440989	397179468	/nfs/dbraw/zinc/17/94/68/397179468.db2.gz	YIEBUOWOSUFSFU-ZJUUUORDSA-N	-1	0	300.380	0.391	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)NCc1ccc(CC#N)cc1)C(=O)[O-]	ZINC000592441007	397179550	/nfs/dbraw/zinc/17/95/50/397179550.db2.gz	YMGHPODWJRUHFW-LLVKDONJSA-N	-1	0	317.345	0.548	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])c1	ZINC000383633188	397278939	/nfs/dbraw/zinc/27/89/39/397278939.db2.gz	JLYSTASECMZVSA-SECBINFHSA-N	-1	0	304.274	0.945	20	30		DCEDRM
C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602051630	397291579	/nfs/dbraw/zinc/29/15/79/397291579.db2.gz	FQPORSWSWJYEFF-CMPLNLGQSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CC1(C)CN(S(=O)(=O)c2ccccc2C#N)[C@H](C(=O)[O-])CO1	ZINC000577264541	397316783	/nfs/dbraw/zinc/31/67/83/397316783.db2.gz	GGBVHSCBHQVVOE-NSHDSACASA-N	-1	0	324.358	0.811	20	30		DCEDRM
C[C@@H]1c2ccccc2CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602096541	397299405	/nfs/dbraw/zinc/29/94/05/397299405.db2.gz	LCFBMZOJZZVVJQ-LLVKDONJSA-N	-1	0	324.340	0.966	20	30		DCEDRM
C[C@H]1SCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C	ZINC000602104209	397302249	/nfs/dbraw/zinc/30/22/49/397302249.db2.gz	ZFSZUDINPGJEHA-RKDXNWHRSA-N	-1	0	308.363	0.173	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1[C@@H](C)SC[C@@H]1C(=O)[O-]	ZINC000593268896	397345599	/nfs/dbraw/zinc/34/55/99/397345599.db2.gz	VCJHNRQCWAUVMS-IWSPIJDZSA-N	-1	0	307.397	0.313	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000593269323	397345759	/nfs/dbraw/zinc/34/57/59/397345759.db2.gz	BBTZJAIMYIZOSI-GHMZBOCLSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000593269595	397346732	/nfs/dbraw/zinc/34/67/32/397346732.db2.gz	KHZOVOFBXFKIID-GHMZBOCLSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CSCCCN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602148867	397322357	/nfs/dbraw/zinc/32/23/57/397322357.db2.gz	CRRBOECHFCMAJF-UHFFFAOYSA-N	-1	0	310.379	0.422	20	30		DCEDRM
C[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCC1(F)F	ZINC000602152202	397324653	/nfs/dbraw/zinc/32/46/53/397324653.db2.gz	OJDYFAIYQVRYIY-QMMMGPOBSA-N	-1	0	312.276	0.324	20	30		DCEDRM
C[C@H]1CC(C)(C)CN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602159523	397327674	/nfs/dbraw/zinc/32/76/74/397327674.db2.gz	BYDFXRFJLILNNU-JTQLQIEISA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N(CCO)CCC(=O)[O-]	ZINC000614375935	397428754	/nfs/dbraw/zinc/42/87/54/397428754.db2.gz	IXEJFIQRAXPAFG-UHFFFAOYSA-N	-1	0	316.310	0.155	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)Cc1cccc(F)c1)C(=O)[O-]	ZINC000578503612	397444344	/nfs/dbraw/zinc/44/43/44/397444344.db2.gz	ANMJLYNLQCYSLZ-LBPRGKRZSA-N	-1	0	317.338	0.901	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2cncc(C#N)n2)C1=O	ZINC000579009351	397514868	/nfs/dbraw/zinc/51/48/68/397514868.db2.gz	VCKNVLXIAUGSGO-CMPLNLGQSA-N	-1	0	303.322	0.470	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)/C=C\c1cncc(OC)c1)C(=O)[O-]	ZINC000493029671	397525711	/nfs/dbraw/zinc/52/57/11/397525711.db2.gz	WOTGONQFNCJFCY-DSYXLKISSA-N	-1	0	306.318	0.875	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)CC1(C)CCC1)C(=O)OC	ZINC000603327251	397597603	/nfs/dbraw/zinc/59/76/03/397597603.db2.gz	QLDANFSGSSWAGW-NSHDSACASA-N	-1	0	305.396	0.840	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c1	ZINC000085855266	158090390	/nfs/dbraw/zinc/09/03/90/158090390.db2.gz	AHVHBKFEMUFWRV-ZDUSSCGKSA-N	-1	0	310.331	0.221	20	30		DCEDRM
C[C@](O)(CNc1ncc(Br)cc1C#N)C(=O)[O-]	ZINC000263548020	158886234	/nfs/dbraw/zinc/88/62/34/158886234.db2.gz	INULYBJRCQIJQD-JTQLQIEISA-N	-1	0	300.112	0.963	20	30		DCEDRM
Cn1nc(CN2CCN(Cc3ccc(C#N)cc3)CC2)[n-]c1=O	ZINC000329600192	159105929	/nfs/dbraw/zinc/10/59/29/159105929.db2.gz	PZBDMMLSADPZKR-UHFFFAOYSA-N	-1	0	312.377	0.298	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-]	ZINC000274947982	415368554	/nfs/dbraw/zinc/36/85/54/415368554.db2.gz	FXUFHFPUCFDQLA-QMMMGPOBSA-N	-1	0	315.303	0.211	20	30		DCEDRM
CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(C#N)c(O)c2)O1	ZINC000334090160	415803044	/nfs/dbraw/zinc/80/30/44/415803044.db2.gz	ACOPEKBIMQLWAD-TZMCWYRMSA-N	-1	0	317.345	0.629	20	30		DCEDRM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cnc(Cl)cc1C#N	ZINC000290514233	415816683	/nfs/dbraw/zinc/81/66/83/415816683.db2.gz	AXUPIWITQPZLDI-SSDOTTSWSA-N	-1	0	316.770	0.825	20	30		DCEDRM
CC[C@](C)(C#N)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O	ZINC000127460103	415887481	/nfs/dbraw/zinc/88/74/81/415887481.db2.gz	WJCOALOLBNIKDH-MRXNPFEDSA-N	-1	0	314.345	0.888	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2ccnc3ncnn32)c1	ZINC000357379938	416070808	/nfs/dbraw/zinc/07/08/08/416070808.db2.gz	BQMDUXCOVGVNDX-UHFFFAOYSA-N	-1	0	301.291	0.192	20	30		DCEDRM
CCN(CC#N)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000339254134	416155017	/nfs/dbraw/zinc/15/50/17/416155017.db2.gz	LMBDSCRZQWGDPM-UHFFFAOYSA-N	-1	0	317.317	0.615	20	30		DCEDRM
C[C@H](CN(C)C(=O)COc1ccccc1C#N)c1nnn[n-]1	ZINC000183447139	416241824	/nfs/dbraw/zinc/24/18/24/416241824.db2.gz	NHGWCDIWKUFKIH-SNVBAGLBSA-N	-1	0	300.322	0.712	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c(C)o1	ZINC000358532938	416252217	/nfs/dbraw/zinc/25/22/17/416252217.db2.gz	WUNLEDWZIRYBOD-UHFFFAOYSA-N	-1	0	310.291	0.770	20	30		DCEDRM
CSc1nc(=NC(=O)NC[C@H]2CCS(=O)(=O)C2)s[n-]1	ZINC000331039686	416254295	/nfs/dbraw/zinc/25/42/95/416254295.db2.gz	CXNMLOJDPNXNNN-ZCFIWIBFSA-N	-1	0	322.437	0.443	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000263174796	416337370	/nfs/dbraw/zinc/33/73/70/416337370.db2.gz	JRSPLKXHARZKSS-OUAUKWLOSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(C#N)cc1F	ZINC000534512113	416504386	/nfs/dbraw/zinc/50/43/86/416504386.db2.gz	NREPBHSBXAJIPA-MRVPVSSYSA-N	-1	0	320.367	0.409	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000491681511	416614867	/nfs/dbraw/zinc/61/48/67/416614867.db2.gz	NTYHTBDYFHIVEZ-GFCCVEGCSA-N	-1	0	316.313	0.113	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)C1CCCC1	ZINC000491417821	416600543	/nfs/dbraw/zinc/60/05/43/416600543.db2.gz	OUCHDHPAPQZXSA-OCCSQVGLSA-N	-1	0	320.389	0.960	20	30		DCEDRM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ncccc1C#N	ZINC000443146173	416735088	/nfs/dbraw/zinc/73/50/88/416735088.db2.gz	ZSEBNTQOKAITSL-UHFFFAOYSA-N	-1	0	321.318	0.654	20	30		DCEDRM
C[C@@](CO)(CNS(=O)(=O)CC1(CC#N)CC1)CC(=O)[O-]	ZINC000517377277	416802598	/nfs/dbraw/zinc/80/25/98/416802598.db2.gz	SFIRPJMPWWNXNE-NSHDSACASA-N	-1	0	304.368	0.073	20	30		DCEDRM
CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000565054791	416917083	/nfs/dbraw/zinc/91/70/83/416917083.db2.gz	DCRCGQKTFJTXHQ-GARJFASQSA-N	-1	0	303.384	0.650	20	30		DCEDRM
CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cnnn2C)c1	ZINC000616175518	416979599	/nfs/dbraw/zinc/97/95/99/416979599.db2.gz	OXVLRNWUKBYVFH-UHFFFAOYSA-N	-1	0	306.351	0.554	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)NCCC2=CCCCC2)c1=O	ZINC000565656901	417004928	/nfs/dbraw/zinc/00/49/28/417004928.db2.gz	MIIITJXGFJNAQT-UHFFFAOYSA-N	-1	0	302.334	0.415	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000627277877	417327194	/nfs/dbraw/zinc/32/71/94/417327194.db2.gz	BLMUZACGDREYFW-RVMXOQNASA-N	-1	0	324.377	0.263	20	30		DCEDRM
CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000451952537	417422456	/nfs/dbraw/zinc/42/24/56/417422456.db2.gz	GNPXCBHQJOWROL-SSDOTTSWSA-N	-1	0	317.317	0.639	20	30		DCEDRM
CSCC[C@@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000571288703	417440985	/nfs/dbraw/zinc/44/09/85/417440985.db2.gz	HHUDPNJJQFNGTL-SECBINFHSA-N	-1	0	306.409	0.806	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCn3cccc3[C@@H]2C(=O)[O-])CC1	ZINC000574150748	417481737	/nfs/dbraw/zinc/48/17/37/417481737.db2.gz	FYVMRMTYQSRBMG-LLVKDONJSA-N	-1	0	309.347	0.563	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCC1(COC)CCC1)C(=O)[O-]	ZINC000574161946	417482338	/nfs/dbraw/zinc/48/23/38/417482338.db2.gz	NFGXNSFZPJSGEW-LLVKDONJSA-N	-1	0	300.355	0.758	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)CC1	ZINC000576403108	417605819	/nfs/dbraw/zinc/60/58/19/417605819.db2.gz	QAQDVUMMFRRZMC-VHSXEESVSA-N	-1	0	302.352	0.089	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cn1nc(C)c(Cl)c1C)C(=O)[O-]	ZINC000455876591	417618452	/nfs/dbraw/zinc/61/84/52/417618452.db2.gz	LPQIDTMLEZUSRQ-JTQLQIEISA-N	-1	0	315.757	0.925	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)C)C(=O)[O-]	ZINC000455879367	417618556	/nfs/dbraw/zinc/61/85/56/417618556.db2.gz	QCMUYCLXWYKWFQ-NEPJUHHUSA-N	-1	0	312.366	0.405	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000635516972	417686652	/nfs/dbraw/zinc/68/66/52/417686652.db2.gz	RWXUHROINSVNDO-TYNCELHUSA-N	-1	0	312.366	0.853	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1cnn2c1OCCC2)C(=O)[O-]	ZINC000646044657	417858960	/nfs/dbraw/zinc/85/89/60/417858960.db2.gz	OTWXFADJEWSBTD-VIFPVBQESA-N	-1	0	315.351	0.363	20	30		DCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000662909223	417948052	/nfs/dbraw/zinc/94/80/52/417948052.db2.gz	JGXWXAYENASEQW-XHBSWPGZSA-N	-1	0	322.361	0.113	20	30		DCEDRM
C=C(CC)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000659061321	418051923	/nfs/dbraw/zinc/05/19/23/418051923.db2.gz	SLVVBZIFDSNLOM-UHFFFAOYSA-N	-1	0	308.338	0.724	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000659664697	418140194	/nfs/dbraw/zinc/14/01/94/418140194.db2.gz	OBYLRTVEOXGFAR-NWDGAFQWSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000656014322	418317695	/nfs/dbraw/zinc/31/76/95/418317695.db2.gz	SNKNTSONVIKVEO-NSHDSACASA-N	-1	0	300.355	0.120	20	30		DCEDRM
C=CCOCCCNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000656595396	418365661	/nfs/dbraw/zinc/36/56/61/418365661.db2.gz	IZMLOXGMFGZSPZ-VXGBXAGGSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=CC[C@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1	ZINC000656718889	418372631	/nfs/dbraw/zinc/37/26/31/418372631.db2.gz	VYBUCSDISGAQEO-NSHDSACASA-N	-1	0	313.379	0.945	20	30		DCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C(N)=O	ZINC000427772807	262569568	/nfs/dbraw/zinc/56/95/68/262569568.db2.gz	WWJFTLDJWWDJDI-UHFFFAOYSA-N	-1	0	323.309	0.331	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]c2ncccc2C#N)c([N+](=O)[O-])n1	ZINC000443149814	267252190	/nfs/dbraw/zinc/25/21/90/267252190.db2.gz	YZRQSWJSMRJWGA-UHFFFAOYSA-N	-1	0	322.306	0.879	20	30		DCEDRM
COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000494123620	272209959	/nfs/dbraw/zinc/20/99/59/272209959.db2.gz	JPCFMNZNJIUVKK-QMMMGPOBSA-N	-1	0	311.319	0.108	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000548228674	288122856	/nfs/dbraw/zinc/12/28/56/288122856.db2.gz	HYSQZNNNOPAJLY-SECBINFHSA-N	-1	0	302.283	0.075	20	30		DCEDRM
C[C@@]1([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCOC1=O	ZINC000289501064	289203408	/nfs/dbraw/zinc/20/34/08/289203408.db2.gz	JWZKCQPTSALHHA-GFCCVEGCSA-N	-1	0	316.285	0.820	20	30		DCEDRM
Cc1nn(C)c2ncc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cc12	ZINC000342935510	302791682	/nfs/dbraw/zinc/79/16/82/302791682.db2.gz	MBKOKSDQOMNGEJ-UHFFFAOYSA-N	-1	0	306.289	0.995	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000275080878	303183794	/nfs/dbraw/zinc/18/37/94/303183794.db2.gz	IRQXLGQUBLYATH-SNVBAGLBSA-N	-1	0	314.294	0.171	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)[n-]c1C#N	ZINC000128228767	303216405	/nfs/dbraw/zinc/21/64/05/303216405.db2.gz	HOQHOCALDLQDOO-LBPRGKRZSA-N	-1	0	307.269	0.873	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC000518383438	332022819	/nfs/dbraw/zinc/02/28/19/332022819.db2.gz	KSOYHPGPUZGFDI-ZYHUDNBSSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@H](C)Cn1cccn1)C(=O)[O-]	ZINC000566774933	332559827	/nfs/dbraw/zinc/55/98/27/332559827.db2.gz	HSTNVVBJYMBHTE-RYUDHWBXSA-N	-1	0	310.354	0.474	20	30		DCEDRM
C=CCc1ccccc1OC[C@@H](O)CN1CCOC[C@H]1C(=O)[O-]	ZINC000565103658	332593814	/nfs/dbraw/zinc/59/38/14/332593814.db2.gz	NZHCTGJAXSWOMT-GJZGRUSLSA-N	-1	0	321.373	0.940	20	30		DCEDRM
CC[C@@H](CCC(=O)[O-])NS(=O)(=O)N(CC)C[C@H](C)C#N	ZINC000569853596	332686179	/nfs/dbraw/zinc/68/61/79/332686179.db2.gz	VJIUICZNHMMDEJ-MNOVXSKESA-N	-1	0	305.400	0.946	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-]	ZINC000571527368	333814237	/nfs/dbraw/zinc/81/42/37/333814237.db2.gz	JINQRQWGXICSKB-HRDYMLBCSA-N	-1	0	307.397	0.171	20	30		DCEDRM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)N(CC)C[C@H](C)C#N	ZINC000417422083	334869587	/nfs/dbraw/zinc/86/95/87/334869587.db2.gz	NNIVDMDMCHUTHJ-MNOVXSKESA-N	-1	0	305.400	0.898	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)N(CC)CC1CC1)C(=O)[O-]	ZINC000583497910	335621272	/nfs/dbraw/zinc/62/12/72/335621272.db2.gz	OEWRLKBLGGZMOO-LLVKDONJSA-N	-1	0	306.384	0.209	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000519694683	335888434	/nfs/dbraw/zinc/88/84/34/335888434.db2.gz	XLVYHOXRCCUQOZ-QWHCGFSZSA-N	-1	0	323.374	0.979	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1cc(C(=O)[O-])co1	ZINC000582488327	337098005	/nfs/dbraw/zinc/09/80/05/337098005.db2.gz	BFAVYWPWWNTGJT-QMMMGPOBSA-N	-1	0	301.324	0.404	20	30		DCEDRM
C=C(CC)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000452045121	338751958	/nfs/dbraw/zinc/75/19/58/338751958.db2.gz	SRLNTRPEEOKJDX-UHFFFAOYSA-N	-1	0	310.335	0.681	20	30		DCEDRM
COc1cncc(/C=C\C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000492520609	339902903	/nfs/dbraw/zinc/90/29/03/339902903.db2.gz	JTZXLIMPSGKOMQ-PLNGDYQASA-N	-1	0	309.347	0.853	20	30		DCEDRM
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000496525288	340007214	/nfs/dbraw/zinc/00/72/14/340007214.db2.gz	IQRSPNGNFTVJQU-SECBINFHSA-N	-1	0	319.383	0.649	20	30		DCEDRM
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000496694317	340010679	/nfs/dbraw/zinc/01/06/79/340010679.db2.gz	LZYUMOVBJVVYHB-VIFPVBQESA-N	-1	0	319.383	0.507	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCCC[C@H](C)C(=O)[O-]	ZINC000516870842	340457709	/nfs/dbraw/zinc/45/77/09/340457709.db2.gz	PRXMIKIMHDSSMB-QWRGUYRKSA-N	-1	0	305.400	0.803	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H](CC(=O)[O-])CC(C)(C)C	ZINC000547905887	341239078	/nfs/dbraw/zinc/23/90/78/341239078.db2.gz	GMELCPYJICCAIQ-JTQLQIEISA-N	-1	0	305.400	0.946	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-]	ZINC000548570005	341266117	/nfs/dbraw/zinc/26/61/17/341266117.db2.gz	ATRWGOZHVULWEJ-UHFFFAOYSA-N	-1	0	318.311	0.073	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1sccc1C)C(=O)[O-]	ZINC000567164047	341583769	/nfs/dbraw/zinc/58/37/69/341583769.db2.gz	MOXKPZPLPJRVLE-SECBINFHSA-N	-1	0	305.377	0.991	20	30		DCEDRM
N#CCCCCS(=O)(=O)N[C@@H](Cc1cncs1)C(=O)[O-]	ZINC001601065592	1159780093	/nfs/dbraw/zinc/78/00/93/1159780093.db2.gz	KINYBIBAAIBUAO-JTQLQIEISA-N	-1	0	317.392	0.752	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001610258782	1159836241	/nfs/dbraw/zinc/83/62/41/1159836241.db2.gz	XYUMBCPBYTWABB-UHFFFAOYSA-N	-1	0	312.347	0.687	20	30		DCEDRM
COC[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000160918288	522801640	/nfs/dbraw/zinc/80/16/40/522801640.db2.gz	WZKMBTZQSDEVCE-MRVPVSSYSA-N	-1	0	306.290	0.122	20	30		DCEDRM
CC#CCNC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O	ZINC000270615152	526381876	/nfs/dbraw/zinc/38/18/76/526381876.db2.gz	GYUJFIIYGQTIIH-UHFFFAOYSA-N	-1	0	323.374	0.770	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)c1	ZINC000117740176	526732137	/nfs/dbraw/zinc/73/21/37/526732137.db2.gz	KBMUVUWNAQPMNX-UHFFFAOYSA-N	-1	0	319.346	0.431	20	30		DCEDRM
C=CCOC[C@H](NC(=O)COc1ccc(OC)cc1)C(=O)[O-]	ZINC000263025328	526803389	/nfs/dbraw/zinc/80/33/89/526803389.db2.gz	ODUUOCXWYHYOPJ-ZDUSSCGKSA-N	-1	0	309.318	0.846	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCO1)C(=O)[O-]	ZINC000263070031	526804759	/nfs/dbraw/zinc/80/47/59/526804759.db2.gz	RISAHMMVYNNPNS-WOPDTQHZSA-N	-1	0	301.339	0.343	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCN1C(=O)CCC)C(=O)[O-]	ZINC000262894759	526806275	/nfs/dbraw/zinc/80/62/75/526806275.db2.gz	DGTQXSYPAJQDAO-NWDGAFQWSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)c2cnc(C(=O)[O-])cn2)n1	ZINC000263418747	527193145	/nfs/dbraw/zinc/19/31/45/527193145.db2.gz	OTAZEYKZTFZUOD-UHFFFAOYSA-N	-1	0	315.333	0.658	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])c1	ZINC000262572325	527448933	/nfs/dbraw/zinc/44/89/33/527448933.db2.gz	CTMRGFXWHNVPSV-CHWSQXEVSA-N	-1	0	300.314	0.786	20	30		DCEDRM
CC(C)n1cc(C#N)c([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)n1	ZINC000331171229	528547728	/nfs/dbraw/zinc/54/77/28/528547728.db2.gz	JMSUCVFXNOSMSH-SECBINFHSA-N	-1	0	313.383	0.554	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C1(OCC)CCOCC1)C(=O)[O-]	ZINC000668290743	546722861	/nfs/dbraw/zinc/72/28/61/546722861.db2.gz	WPWNCAMZRVTSDE-LLVKDONJSA-N	-1	0	301.339	0.344	20	30		DCEDRM
C=CCCOCC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000679095592	548024842	/nfs/dbraw/zinc/02/48/42/548024842.db2.gz	CSNDHKGHCLVCLB-GFCCVEGCSA-N	-1	0	312.366	0.361	20	30		DCEDRM
C[C@@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1cccnc1	ZINC000735974258	599106053	/nfs/dbraw/zinc/10/60/53/599106053.db2.gz	BHRCNXYFTGIUSX-QMMMGPOBSA-N	-1	0	323.320	0.989	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(Cc2cccnc2)CC1	ZINC000819822030	597629470	/nfs/dbraw/zinc/62/94/70/597629470.db2.gz	LLFHCFMLGWCFRZ-MRXNPFEDSA-N	-1	0	316.361	0.730	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC(=O)OCc1ccccc1	ZINC000819835233	597630163	/nfs/dbraw/zinc/63/01/63/597630163.db2.gz	UINVEYCXFOMPMB-OAHLLOKOSA-N	-1	0	304.302	0.851	20	30		DCEDRM
CC(C)(C)C(=O)N1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819901480	597633337	/nfs/dbraw/zinc/63/33/37/597633337.db2.gz	GKRCXSQMUWMBLR-HNNXBMFYSA-N	-1	0	309.366	0.708	20	30		DCEDRM
COc1ccccc1[C@@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820876345	597635587	/nfs/dbraw/zinc/63/55/87/597635587.db2.gz	GCCPNOKWUUXDQV-XHDPSFHLSA-N	-1	0	306.318	0.849	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(Nc2cccnn2)CC1	ZINC000819811932	597644005	/nfs/dbraw/zinc/64/40/05/597644005.db2.gz	XQNUFDTYEVOEOV-OAHLLOKOSA-N	-1	0	317.349	0.884	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](Cn2cncn2)C1	ZINC000819810727	597647446	/nfs/dbraw/zinc/64/74/46/597647446.db2.gz	FYZCDWOVAPIOFK-RISCZKNCSA-N	-1	0	305.338	0.521	20	30		DCEDRM
CN(CC(=O)NCc1cccs1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820562693	597647460	/nfs/dbraw/zinc/64/74/60/597647460.db2.gz	REFOPYSDUGSYTG-CQSZACIVSA-N	-1	0	323.374	0.827	20	30		DCEDRM
CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000820061271	597655196	/nfs/dbraw/zinc/65/51/96/597655196.db2.gz	CFGCRAUQHWAOIL-MEBBXXQBSA-N	-1	0	319.365	0.837	20	30		DCEDRM
C#Cc1ccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])nc1	ZINC000819706068	597691924	/nfs/dbraw/zinc/69/19/24/597691924.db2.gz	LWVBAOFLENAVBE-SNVBAGLBSA-N	-1	0	303.318	0.114	20	30		DCEDRM
Cc1cc(C=NNCCC(=O)[O-])c(C)n1CCN1CCOCC1	ZINC000820972447	597739278	/nfs/dbraw/zinc/73/92/78/597739278.db2.gz	MTMXJEGSCNYEKK-UHFFFAOYSA-N	-1	0	322.409	0.835	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC(=O)[O-])c2ccc(Cl)cc2c1=O	ZINC000821340581	597756070	/nfs/dbraw/zinc/75/60/70/597756070.db2.gz	OIHVNLZKBJAYRI-UHFFFAOYSA-N	-1	0	319.704	0.727	20	30		DCEDRM
Cc1cc(NC(=O)CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])no1	ZINC000821013592	598222984	/nfs/dbraw/zinc/22/29/84/598222984.db2.gz	HEHHYDFQJVFFRL-CYBMUJFWSA-N	-1	0	308.294	0.385	20	30		DCEDRM
CNC(=O)c1ccc(OC)c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000820640447	598224289	/nfs/dbraw/zinc/22/42/89/598224289.db2.gz	ACWNLBHQHJVDLD-OAHLLOKOSA-N	-1	0	319.317	0.998	20	30		DCEDRM
CN(Cc1ccccc1)C(=O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820602274	598224856	/nfs/dbraw/zinc/22/48/56/598224856.db2.gz	VFGKQWRKEFFFFO-INIZCTEOSA-N	-1	0	317.345	0.766	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nnnn1-c1ccccc1	ZINC000819847697	598226898	/nfs/dbraw/zinc/22/68/98/598226898.db2.gz	OBHPNRTVHZJKJK-AWEZNQCLSA-N	-1	0	314.305	0.283	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000819823420	598227375	/nfs/dbraw/zinc/22/73/75/598227375.db2.gz	UQQKRXSWKGZWFC-CPCISQLKSA-N	-1	0	321.255	0.270	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])CC(=O)Nc1cccc(C#N)c1	ZINC000737615556	599756529	/nfs/dbraw/zinc/75/65/29/599756529.db2.gz	NKEFJXNPUOXZJQ-UHFFFAOYSA-N	-1	0	305.290	0.056	20	30		DCEDRM
COC[C@@H](C)NC(=S)NN=Cc1cc(C(=O)[O-])ccc1O	ZINC000737748865	599906510	/nfs/dbraw/zinc/90/65/10/599906510.db2.gz	ORWXRZXRFVLNAS-MRVPVSSYSA-N	-1	0	311.363	0.923	20	30		DCEDRM
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCO[C@@H](C(=O)[O-])C1	ZINC000736218282	599972263	/nfs/dbraw/zinc/97/22/63/599972263.db2.gz	MKOVDZWLJAWPHA-GXFFZTMASA-N	-1	0	303.318	0.671	20	30		DCEDRM
N#C[C@H]1CN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CCO1	ZINC000739069449	599993111	/nfs/dbraw/zinc/99/31/11/599993111.db2.gz	QIISRLWUAVDNMF-OCCSQVGLSA-N	-1	0	306.318	0.349	20	30		DCEDRM
CN(CCCC(=O)[O-])C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000737434112	599996432	/nfs/dbraw/zinc/99/64/32/599996432.db2.gz	SZXWFCTYHVOSAA-UHFFFAOYSA-N	-1	0	303.318	0.611	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])Cc1cn2ccccc2c1C#N	ZINC000737617201	600012896	/nfs/dbraw/zinc/01/28/96/600012896.db2.gz	AYEPOLVCOVFECB-UHFFFAOYSA-N	-1	0	301.302	0.871	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nc1	ZINC000739123044	600076224	/nfs/dbraw/zinc/07/62/24/600076224.db2.gz	LXZUAAIJQWZMLP-RYUDHWBXSA-N	-1	0	300.318	0.323	20	30		DCEDRM
N#CCN1CCC(NC(=O)c2cccc(OCC(=O)[O-])c2)CC1	ZINC000739086864	600149161	/nfs/dbraw/zinc/14/91/61/600149161.db2.gz	SBQFMNBDQMNAFS-UHFFFAOYSA-N	-1	0	317.345	0.868	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CNC(=O)NCc1ccc(F)cc1	ZINC000739078738	600401582	/nfs/dbraw/zinc/40/15/82/600401582.db2.gz	LVQJCBLKUYZXSA-UHFFFAOYSA-N	-1	0	322.296	0.062	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(N2CCNC2=O)cc1	ZINC000739087911	600402439	/nfs/dbraw/zinc/40/24/39/600402439.db2.gz	PVUNOTSMGVMGNG-UHFFFAOYSA-N	-1	0	302.290	0.267	20	30		DCEDRM
Cn1c2ccccc2n(CCC(=O)N(CC#N)CC(=O)[O-])c1=O	ZINC000739005099	600403271	/nfs/dbraw/zinc/40/32/71/600403271.db2.gz	QGYYOYBKYKGAFH-UHFFFAOYSA-N	-1	0	316.317	0.167	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O	ZINC000739077292	600405114	/nfs/dbraw/zinc/40/51/14/600405114.db2.gz	LDMMYFJFTWLVMY-GFCCVEGCSA-N	-1	0	319.292	0.615	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C1=NN(c2ccccc2)C(=O)CC1	ZINC000739075814	600405961	/nfs/dbraw/zinc/40/59/61/600405961.db2.gz	NQFAJHXIPAKBJN-UHFFFAOYSA-N	-1	0	314.301	0.606	20	30		DCEDRM
CC(C)S(=O)(=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000736499596	600406294	/nfs/dbraw/zinc/40/62/94/600406294.db2.gz	JBZZWSWWGLEBFA-UHFFFAOYSA-N	-1	0	324.358	0.919	20	30		DCEDRM
C=CCN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21	ZINC000736106675	600473677	/nfs/dbraw/zinc/47/36/77/600473677.db2.gz	HDRQWZJVRXKJJP-UHFFFAOYSA-N	-1	0	306.303	0.451	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)nc1Cl	ZINC000739087057	600763892	/nfs/dbraw/zinc/76/38/92/600763892.db2.gz	TXFKLKMOKDITEZ-UHFFFAOYSA-N	-1	0	324.145	0.987	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN(CC(=O)[O-])C1CCOCC1	ZINC000826677685	600856184	/nfs/dbraw/zinc/85/61/84/600856184.db2.gz	XJHHWOBWFRHAHP-HNNXBMFYSA-N	-1	0	311.382	0.606	20	30		DCEDRM
CC(C)(CCC(=O)[O-])NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000817828198	600948150	/nfs/dbraw/zinc/94/81/50/600948150.db2.gz	ZSWXXRJEMZEFIB-BUHFOSPRSA-N	-1	0	323.349	0.663	20	30		DCEDRM
N#C[C@H]1COCCN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1	ZINC000833061958	601041822	/nfs/dbraw/zinc/04/18/22/601041822.db2.gz	IATDXPLSGKDZCJ-QWHCGFSZSA-N	-1	0	306.318	0.349	20	30		DCEDRM
Cc1cccc(C)c1-n1nnnc1CN(CC#N)CC(=O)[O-]	ZINC000832965981	601226628	/nfs/dbraw/zinc/22/66/28/601226628.db2.gz	ZVCFSAHUCUMWSN-UHFFFAOYSA-N	-1	0	300.322	0.689	20	30		DCEDRM
C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)CCCC#N)CC1	ZINC000827385030	601257537	/nfs/dbraw/zinc/25/75/37/601257537.db2.gz	CZMOJMMJAYVOJW-NSHDSACASA-N	-1	0	303.384	0.101	20	30		DCEDRM
N#CCOc1cccc(NC(=O)Cn2cc(C(=O)[O-])nn2)c1	ZINC000833067975	601276938	/nfs/dbraw/zinc/27/69/38/601276938.db2.gz	LREUDYKUPKNLQU-UHFFFAOYSA-N	-1	0	301.262	0.517	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)c1	ZINC000091294159	601397421	/nfs/dbraw/zinc/39/74/21/601397421.db2.gz	YZKCBSVWYYGKDT-LLVKDONJSA-N	-1	0	310.331	0.422	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000833069852	601481760	/nfs/dbraw/zinc/48/17/60/601481760.db2.gz	VTJOQAMPKVKFAT-AWEZNQCLSA-N	-1	0	323.255	0.661	20	30		DCEDRM
COC(=O)C[C@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC000831147935	601573204	/nfs/dbraw/zinc/57/32/04/601573204.db2.gz	LTBSXJCMHXWGTN-ZFWWWQNUSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000827461305	601585060	/nfs/dbraw/zinc/58/50/60/601585060.db2.gz	SSEDKEYHLAHZCX-SSDOTTSWSA-N	-1	0	309.709	0.987	20	30		DCEDRM
C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000825653277	601763376	/nfs/dbraw/zinc/76/33/76/601763376.db2.gz	HYRLZPCLNTVKKA-SECBINFHSA-N	-1	0	319.317	0.130	20	30		DCEDRM
COc1cccc(-c2nc(C(=O)N(CC#N)CC(=O)[O-])no2)c1	ZINC000832515542	602169790	/nfs/dbraw/zinc/16/97/90/602169790.db2.gz	QYPOURSVVHYHFS-UHFFFAOYSA-N	-1	0	316.273	0.796	20	30		DCEDRM
C[C@H](CC(=O)[O-])C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000827263849	602204817	/nfs/dbraw/zinc/20/48/17/602204817.db2.gz	UXTBRCMUQAAVGS-MNOVXSKESA-N	-1	0	317.349	0.496	20	30		DCEDRM
C[C@@H](CC(=O)[O-])C(=O)OCC(=O)NCc1cccc(C#N)c1	ZINC000827333274	602277673	/nfs/dbraw/zinc/27/76/73/602277673.db2.gz	JKHWZCUDJZRYAY-JTQLQIEISA-N	-1	0	304.302	0.828	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)CN(CC(=O)[O-])C1CCCC1	ZINC000315125454	602335354	/nfs/dbraw/zinc/33/53/54/602335354.db2.gz	SYPABTQASKJCJI-UHFFFAOYSA-N	-1	0	306.366	0.972	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)[O-])c1	ZINC000831152687	603148103	/nfs/dbraw/zinc/14/81/03/603148103.db2.gz	JBKPLIUINQRFMD-NSHDSACASA-N	-1	0	309.347	0.979	20	30		DCEDRM
CC(C)(CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)NC(=O)[O-]	ZINC000823922581	603457606	/nfs/dbraw/zinc/45/76/06/603457606.db2.gz	BQCLUMNTTGBLKK-NSHDSACASA-N	-1	0	309.370	0.414	20	30		DCEDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNS(=O)(=O)CCCC#N	ZINC000826126020	603507932	/nfs/dbraw/zinc/50/79/32/603507932.db2.gz	MGDIMAIFQCUSLR-UWVGGRQHSA-N	-1	0	319.383	0.713	20	30		DCEDRM
CN1CCN(C(=O)c2ccc(C#N)cc2)[C@H](CNC(=O)[O-])C1	ZINC000828513633	603508141	/nfs/dbraw/zinc/50/81/41/603508141.db2.gz	NSMZKAOOMUGABB-CYBMUJFWSA-N	-1	0	302.334	0.582	20	30		DCEDRM
N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCNC(=O)[O-])c1	ZINC000831126513	603577172	/nfs/dbraw/zinc/57/71/72/603577172.db2.gz	IHHCEDRBGCXGQZ-UHFFFAOYSA-N	-1	0	310.697	0.534	20	30		DCEDRM
CC(C)NC(=O)CCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824367650	603597650	/nfs/dbraw/zinc/59/76/50/603597650.db2.gz	GSTSWBBDYZVSFL-LLVKDONJSA-N	-1	0	310.354	0.396	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)NC(C1CC1)C1CC1	ZINC000831092407	603726468	/nfs/dbraw/zinc/72/64/68/603726468.db2.gz	VNUVSVRTEWFEBP-LBPRGKRZSA-N	-1	0	306.366	0.479	20	30		DCEDRM
C=CCNC(=O)[C@H](C)OC(=O)C1(OC)CCN(C(=O)[O-])CC1	ZINC000823506798	603777528	/nfs/dbraw/zinc/77/75/28/603777528.db2.gz	NAPCAMWUAZRJFM-JTQLQIEISA-N	-1	0	314.338	0.379	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000823516651	603781718	/nfs/dbraw/zinc/78/17/18/603781718.db2.gz	QSYHWJAKXAUUKE-STQMWFEESA-N	-1	0	320.345	0.981	20	30		DCEDRM
Cc1cc(CS(=O)(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)on1	ZINC000830045357	603918313	/nfs/dbraw/zinc/91/83/13/603918313.db2.gz	OAVIYLNTUARCTI-SECBINFHSA-N	-1	0	314.323	0.001	20	30		DCEDRM
C[C@@H](CC(=O)OCC(=O)NCc1cccc(C#N)c1)NC(=O)[O-]	ZINC000824727964	603970975	/nfs/dbraw/zinc/97/09/75/603970975.db2.gz	KESZSAYUBGEFFA-JTQLQIEISA-N	-1	0	319.317	0.764	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCCCN1CCOCC1	ZINC000831083349	604068378	/nfs/dbraw/zinc/06/83/78/604068378.db2.gz	ZOZBHWAZYGNPQY-ZDUSSCGKSA-N	-1	0	324.381	0.203	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)/C=C\c1cncc(F)c1	ZINC000831076697	604071335	/nfs/dbraw/zinc/07/13/35/604071335.db2.gz	RBTSUTZZLWYYOT-UDSFMNFJSA-N	-1	0	304.281	0.948	20	30		DCEDRM
Cc1n[nH]c(C)c1CCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830673892	604074572	/nfs/dbraw/zinc/07/45/72/604074572.db2.gz	ZWBNQCIGRQLRHN-NSHDSACASA-N	-1	0	305.338	0.674	20	30		DCEDRM
CC(=NN[C@H]1CCS(=O)(=O)C1)[C@H]1CCCCN1C(=O)[O-]	ZINC000823531536	604085681	/nfs/dbraw/zinc/08/56/81/604085681.db2.gz	ANMWAHGNJKRMLQ-WDEREUQCSA-N	-1	0	303.384	0.672	20	30		DCEDRM
Cc1ccc(C(=O)C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000830176184	604086652	/nfs/dbraw/zinc/08/66/52/604086652.db2.gz	MUKBQGHTNIWAON-GFCCVEGCSA-N	-1	0	301.302	0.892	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(C(N)=O)cs1	ZINC000831087586	604089599	/nfs/dbraw/zinc/08/95/99/604089599.db2.gz	NOEKOLHGYRSCJE-QMMMGPOBSA-N	-1	0	308.319	0.175	20	30		DCEDRM
CCN(CC)C(=O)CCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827025082	604218911	/nfs/dbraw/zinc/21/89/11/604218911.db2.gz	NIISLRJKJXIHTP-NSHDSACASA-N	-1	0	310.354	0.349	20	30		DCEDRM
COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000828993034	604219327	/nfs/dbraw/zinc/21/93/27/604219327.db2.gz	VIWGVLXQXLDJFS-GARJFASQSA-N	-1	0	311.338	0.284	20	30		DCEDRM
N#C[C@@H](C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C(=O)N1CCCC1	ZINC000831066394	604220000	/nfs/dbraw/zinc/22/00/00/604220000.db2.gz	WOHPFXVKIOLVEY-RYUDHWBXSA-N	-1	0	323.349	0.477	20	30		DCEDRM
C[C@H](C(=O)[O-])[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1	ZINC000826039658	604330941	/nfs/dbraw/zinc/33/09/41/604330941.db2.gz	XBCJRPXQXZTMDM-IINYFYTJSA-N	-1	0	313.317	0.728	20	30		DCEDRM
C#CCNC(=O)CNc1cc(F)ccc1C(=O)N[C@H](C)C(=O)[O-]	ZINC000833365574	604536825	/nfs/dbraw/zinc/53/68/25/604536825.db2.gz	NCLMPJPCTHFQMQ-SECBINFHSA-N	-1	0	321.308	0.190	20	30		DCEDRM
C#CCSCCNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823466814	604554027	/nfs/dbraw/zinc/55/40/27/604554027.db2.gz	JDCBRAYMDGXCTP-MNOVXSKESA-N	-1	0	315.395	0.419	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000831118048	604568403	/nfs/dbraw/zinc/56/84/03/604568403.db2.gz	KGOBXTXTQBQKRE-SNVBAGLBSA-N	-1	0	320.280	0.504	20	30		DCEDRM
C=CCNc1ncc(C(=O)N[C@H](CC(=O)OC)C(=O)[O-])s1	ZINC000825692197	604741313	/nfs/dbraw/zinc/74/13/13/604741313.db2.gz	MSSUVWAZHYGUKJ-SSDOTTSWSA-N	-1	0	313.335	0.487	20	30		DCEDRM
C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCO[C@@H](C#N)C1	ZINC000826009505	604761896	/nfs/dbraw/zinc/76/18/96/604761896.db2.gz	YPGCTRQSYJTSSK-RISCZKNCSA-N	-1	0	317.345	0.614	20	30		DCEDRM
C#Cc1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)nc1	ZINC000825636141	604838185	/nfs/dbraw/zinc/83/81/85/604838185.db2.gz	DARYGIFQOZGVIK-UHFFFAOYSA-N	-1	0	300.274	0.139	20	30		DCEDRM
C=C(C)COCCNC(=O)NCCN1CCN(C(=O)[O-])CC1	ZINC000823480883	604840780	/nfs/dbraw/zinc/84/07/80/604840780.db2.gz	RCEMKEKOYADLPM-UHFFFAOYSA-N	-1	0	314.386	0.174	20	30		DCEDRM
C[C@H]1CN(C(=O)[O-])CCN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000826021800	604857234	/nfs/dbraw/zinc/85/72/34/604857234.db2.gz	WWCCXVLXCVCXIP-NSHDSACASA-N	-1	0	316.313	0.978	20	30		DCEDRM
O=C([O-])NC[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C1CC1	ZINC000832421874	604862208	/nfs/dbraw/zinc/86/22/08/604862208.db2.gz	OYIBSIFVBLYPBX-LBPRGKRZSA-N	-1	0	316.313	0.929	20	30		DCEDRM
CN(C(=O)[O-])[C@@H]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC000827830176	604867743	/nfs/dbraw/zinc/86/77/43/604867743.db2.gz	QWONTZDYJZLXTK-GFCCVEGCSA-N	-1	0	316.313	0.978	20	30		DCEDRM
C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1	ZINC000833531777	604956758	/nfs/dbraw/zinc/95/67/58/604956758.db2.gz	DBTCDNUAMLTRTP-UWVGGRQHSA-N	-1	0	311.338	0.917	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833465162	604977486	/nfs/dbraw/zinc/97/74/86/604977486.db2.gz	HPJKHXGSEYOXNE-ZFWWWQNUSA-N	-1	0	311.382	0.198	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833369319	605032232	/nfs/dbraw/zinc/03/22/32/605032232.db2.gz	RCZTZAPJXNUNNL-UHFFFAOYSA-N	-1	0	309.322	0.371	20	30		DCEDRM
CC[C@H](NC(=O)[O-])C(=O)OCC(=O)NCc1cccc(C#N)c1	ZINC000827539334	605073907	/nfs/dbraw/zinc/07/39/07/605073907.db2.gz	ROSYESXWAIOBHY-LBPRGKRZSA-N	-1	0	319.317	0.764	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000833371567	605093590	/nfs/dbraw/zinc/09/35/90/605093590.db2.gz	VHVAYUPPECGQCP-JTQLQIEISA-N	-1	0	306.318	0.624	20	30		DCEDRM
Cn1ncc2c1nc(N=NC1CCC[C@H]1CNC(=O)[O-])[n-]c2=O	ZINC000831054504	605172500	/nfs/dbraw/zinc/17/25/00/605172500.db2.gz	DKIKRMHAASIZDS-ZETCQYMHSA-N	-1	0	319.325	0.905	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N(C)CCCNC(=O)[O-]	ZINC000829839438	605208429	/nfs/dbraw/zinc/20/84/29/605208429.db2.gz	IUVJILKXPHFNTC-UHFFFAOYSA-N	-1	0	318.333	0.921	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000393799476	605211867	/nfs/dbraw/zinc/21/18/67/605211867.db2.gz	POTUWFDXXYMEFV-UHFFFAOYSA-N	-1	0	316.310	0.104	20	30		DCEDRM
C#CCCN1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000823445234	605278554	/nfs/dbraw/zinc/27/85/54/605278554.db2.gz	WHSKQECZRXJRPP-CQSZACIVSA-N	-1	0	323.393	0.313	20	30		DCEDRM
C=CCOc1ccc(/C=C\C(=O)N[C@@H](CO)C(=O)[O-])cc1OC	ZINC000736114276	605279850	/nfs/dbraw/zinc/27/98/50/605279850.db2.gz	RGQXVJSDYCOGCC-HWPRWLFBSA-N	-1	0	321.329	0.835	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])CC2	ZINC000833977159	605364858	/nfs/dbraw/zinc/36/48/58/605364858.db2.gz	OTPQQSNTTHQZHA-AAEUAGOBSA-N	-1	0	301.302	0.561	20	30		DCEDRM
C#CC[NH+]1CCC(C(=O)NCCN(CCOC)C(=O)[O-])CC1	ZINC000833786769	605453316	/nfs/dbraw/zinc/45/33/16/605453316.db2.gz	ABBSFMJUPMZRHM-UHFFFAOYSA-N	-1	0	311.382	0.074	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)C[C@@H]1CCCN1C(=O)[O-]	ZINC000828543781	605467314	/nfs/dbraw/zinc/46/73/14/605467314.db2.gz	XONSWCVAKAWHDD-VIFPVBQESA-N	-1	0	315.399	0.105	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000833366402	605499316	/nfs/dbraw/zinc/49/93/16/605499316.db2.gz	VLEPKSMGZVFBAM-UHFFFAOYSA-N	-1	0	304.302	0.398	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000833815164	605514603	/nfs/dbraw/zinc/51/46/03/605514603.db2.gz	FGZDHHISMZHXLC-VHSXEESVSA-N	-1	0	324.362	0.620	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000833966428	605579201	/nfs/dbraw/zinc/57/92/01/605579201.db2.gz	HGYTWWLDSDUZEQ-GFCCVEGCSA-N	-1	0	303.318	1.000	20	30		DCEDRM
C=CCOCCNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000833377769	605614487	/nfs/dbraw/zinc/61/44/87/605614487.db2.gz	MSPRYUHXSVDRCR-UHFFFAOYSA-N	-1	0	320.754	0.914	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000833974101	605632178	/nfs/dbraw/zinc/63/21/78/605632178.db2.gz	GBTVWUIXXCAQBZ-LLVKDONJSA-N	-1	0	316.317	0.613	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@@H](O)COc1ccc(F)cc1	ZINC000833966337	605685572	/nfs/dbraw/zinc/68/55/72/605685572.db2.gz	KKRGUPPVQBSMCK-QKCSRTOESA-N	-1	0	323.324	0.657	20	30		DCEDRM
Cc1onc(CC(=O)NCC2CCN(C(=O)[O-])CC2)c1C#N	ZINC000833935359	605695432	/nfs/dbraw/zinc/69/54/32/605695432.db2.gz	GFNMXIPAIRXFPL-UHFFFAOYSA-N	-1	0	306.322	0.903	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)c1C#N	ZINC000833936689	605695480	/nfs/dbraw/zinc/69/54/80/605695480.db2.gz	OYPNWSFLTDOGJK-SNVBAGLBSA-N	-1	0	306.322	0.998	20	30		DCEDRM
Cc1onc(CC(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1C#N	ZINC000833936185	605697842	/nfs/dbraw/zinc/69/78/42/605697842.db2.gz	LJKFDLAKALJPRS-KWQFWETISA-N	-1	0	306.322	0.902	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)cc1	ZINC000833973721	605835434	/nfs/dbraw/zinc/83/54/34/605835434.db2.gz	QPWXAUBSAIDGIP-DGCLKSJQSA-N	-1	0	303.318	0.708	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C[C@H]1CSCCS1	ZINC000833967093	605879957	/nfs/dbraw/zinc/87/99/57/605879957.db2.gz	PPTYEMDVHGMVCR-ZJUUUORDSA-N	-1	0	315.420	0.939	20	30		DCEDRM
C=CCNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC000833377461	605880094	/nfs/dbraw/zinc/88/00/94/605880094.db2.gz	YDVGOVMZUSHCBT-UHFFFAOYSA-N	-1	0	308.290	0.643	20	30		DCEDRM
C[C@H](OC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)C(=O)N(C)CCC#N	ZINC000825598314	605889449	/nfs/dbraw/zinc/88/94/49/605889449.db2.gz	JCYJRKBCBGIVRG-VHSXEESVSA-N	-1	0	313.354	0.972	20	30		DCEDRM
COCCN(CC(=O)NC1(C#N)CCSCC1)C(=O)[O-]	ZINC000833884611	606072016	/nfs/dbraw/zinc/07/20/16/606072016.db2.gz	PRVYHZUINOSKJI-UHFFFAOYSA-N	-1	0	301.368	0.518	20	30		DCEDRM
Cc1cc(C)n(N=Cc2cccnc2N)c(=O)c1-c1nnn[n-]1	ZINC000822198854	606989235	/nfs/dbraw/zinc/98/92/35/606989235.db2.gz	MFKIOGNWQNLIAW-UHFFFAOYSA-N	-1	0	310.321	0.505	20	30		DCEDRM
C#CCOc1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1	ZINC000819709805	607215115	/nfs/dbraw/zinc/21/51/15/607215115.db2.gz	PWOPDXWNGWCMQH-UHFFFAOYSA-N	-1	0	324.304	0.109	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCOC[C@@H]2CCCO2)CC1	ZINC000870831693	667764833	/nfs/dbraw/zinc/76/48/33/667764833.db2.gz	AWCNJRJIAGDTKL-NSHDSACASA-N	-1	0	303.380	0.737	20	30		DCEDRM
C#CC1(O)CN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C1	ZINC000890520914	657567547	/nfs/dbraw/zinc/56/75/47/657567547.db2.gz	QIUSJWQQCYONRL-UHFFFAOYSA-N	-1	0	312.322	0.017	20	30		DCEDRM
C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001021566412	658032518	/nfs/dbraw/zinc/03/25/18/658032518.db2.gz	JFBNOHXJNINPCD-STQMWFEESA-N	-1	0	302.378	0.983	20	30		DCEDRM
C#CCN(Cc1ccccc1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000804833970	658682502	/nfs/dbraw/zinc/68/25/02/658682502.db2.gz	RBYORZPSIVERGM-UHFFFAOYSA-N	-1	0	321.340	0.733	20	30		DCEDRM
CN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000737989412	658918979	/nfs/dbraw/zinc/91/89/79/658918979.db2.gz	UFJMQRASSYOBTD-UHFFFAOYSA-N	-1	0	324.358	0.921	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC000975218924	658960901	/nfs/dbraw/zinc/96/09/01/658960901.db2.gz	JISDTCXGGZJAML-ONGXEEELSA-N	-1	0	319.365	0.552	20	30		DCEDRM
COC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000776115941	659403511	/nfs/dbraw/zinc/40/35/11/659403511.db2.gz	ANYQEYAXEKXTDK-QWRGUYRKSA-N	-1	0	316.379	0.716	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)CC[C@@H]1CCCO1	ZINC000893708506	661349851	/nfs/dbraw/zinc/34/98/51/661349851.db2.gz	FRVCPMKKYKOCIN-TUAOUCFPSA-N	-1	0	303.380	0.593	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)NCCOC1CCOCC1)C(=O)[O-]	ZINC000929017420	662772651	/nfs/dbraw/zinc/77/26/51/662772651.db2.gz	SLEZBWQTMDXJTN-LBPRGKRZSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C[C@H]1C[C@H](NCC#N)CN1C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000989672952	662971202	/nfs/dbraw/zinc/97/12/02/662971202.db2.gz	RJATYGOMCPOHIJ-IUCAKERBSA-N	-1	0	301.306	0.645	20	30		DCEDRM
C#CCCCNC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC000898824643	663109857	/nfs/dbraw/zinc/10/98/57/663109857.db2.gz	RLUUGUOBPBIKRY-BGMSHATGSA-N	-1	0	322.361	0.695	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C[C@H]3CC=CCC3)C2)c(=O)[n-]c1=O	ZINC000899550820	663152379	/nfs/dbraw/zinc/15/23/79/663152379.db2.gz	FVHRSTMFTPLZBO-NSHDSACASA-N	-1	0	314.345	0.950	20	30		DCEDRM
C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899925675	663201069	/nfs/dbraw/zinc/20/10/69/663201069.db2.gz	GCRXAOISMBNWPM-SDDRHHMPSA-N	-1	0	301.364	0.294	20	30		DCEDRM
COCC[C@@H](C)S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899925442	663201104	/nfs/dbraw/zinc/20/11/04/663201104.db2.gz	DGAZFCZJTCCMFH-NEPJUHHUSA-N	-1	0	303.380	0.541	20	30		DCEDRM
Cc1ccncc1S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899925451	663201209	/nfs/dbraw/zinc/20/12/09/663201209.db2.gz	DHIGNVZVOAWYEJ-LBPRGKRZSA-N	-1	0	308.359	0.879	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC1CC2(C1)CO[C@H](C)C2)C(=O)[O-]	ZINC000900297031	663232901	/nfs/dbraw/zinc/23/29/01/663232901.db2.gz	DKXSMVKQARGKNT-AKUZOMFGSA-N	-1	0	312.366	0.899	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(-n2ccnn2)c1	ZINC000179381827	663341296	/nfs/dbraw/zinc/34/12/96/663341296.db2.gz	SIOJJYVFJVWCRF-ZDUSSCGKSA-N	-1	0	313.317	0.352	20	30		DCEDRM
N#CC1CCC(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])CC1	ZINC000903407737	663453952	/nfs/dbraw/zinc/45/39/52/663453952.db2.gz	KSHVYPIDSJXIKI-MCIGGMRASA-N	-1	0	300.380	0.500	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC000906934267	663652723	/nfs/dbraw/zinc/65/27/23/663652723.db2.gz	IYMHWUQROPHGEU-UWVGGRQHSA-N	-1	0	315.372	0.905	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)[C@H]1CCCO1	ZINC000906936152	663652748	/nfs/dbraw/zinc/65/27/48/663652748.db2.gz	WULYHIHQHCMBFB-ZYHUDNBSSA-N	-1	0	312.347	0.182	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCc1cnc(N(C)C)n1C)C(=O)[O-]	ZINC000908960896	663776517	/nfs/dbraw/zinc/77/65/17/663776517.db2.gz	LARIMERHEVSHPP-NSHDSACASA-N	-1	0	309.370	0.705	20	30		DCEDRM
C=CCCOCCNC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000909118187	663781574	/nfs/dbraw/zinc/78/15/74/663781574.db2.gz	ZWOGMLOIHNPNCE-FZMZJTMJSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(N2CCNC2=O)ccc1F)C(=O)[O-]	ZINC000910054038	663838020	/nfs/dbraw/zinc/83/80/20/663838020.db2.gz	HVMUTKAUIQZQSS-LBPRGKRZSA-N	-1	0	319.292	0.562	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC000910269295	663862511	/nfs/dbraw/zinc/86/25/11/663862511.db2.gz	AAPFEMHMORFFQL-UWVGGRQHSA-N	-1	0	301.730	0.820	20	30		DCEDRM
C=CCCSCCNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000912383759	664165797	/nfs/dbraw/zinc/16/57/97/664165797.db2.gz	QWABXWYXAUVMNC-UHFFFAOYSA-N	-1	0	300.384	0.895	20	30		DCEDRM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000912558323	664188352	/nfs/dbraw/zinc/18/83/52/664188352.db2.gz	KSISYRZEKDNMGX-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000541929806	664699199	/nfs/dbraw/zinc/69/91/99/664699199.db2.gz	YTTGIVFJUVVLJU-LLVKDONJSA-N	-1	0	310.306	0.842	20	30		DCEDRM
COCCS(=O)(=O)[N-]C(=O)c1cc2ccccc2n1CC#N	ZINC000732522433	664943274	/nfs/dbraw/zinc/94/32/74/664943274.db2.gz	DTMVXDABTGFVAD-UHFFFAOYSA-N	-1	0	321.358	0.871	20	30		DCEDRM
O=C([O-])COc1ccc(C=NN[C@H]2CCS(=O)(=O)C2)cc1	ZINC000916239862	665064559	/nfs/dbraw/zinc/06/45/59/665064559.db2.gz	OVTALOGSLCNVLG-NSHDSACASA-N	-1	0	312.347	0.261	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)nc1	ZINC000916890311	665099091	/nfs/dbraw/zinc/09/90/91/665099091.db2.gz	ISLYRWBOONMNSI-LBPRGKRZSA-N	-1	0	305.334	0.954	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(CNC(C)=O)cc1	ZINC000916891056	665099443	/nfs/dbraw/zinc/09/94/43/665099443.db2.gz	PFAYRRJTLDDFSI-AWEZNQCLSA-N	-1	0	317.345	0.408	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)OCC(=O)N2	ZINC000916891695	665099472	/nfs/dbraw/zinc/09/94/72/665099472.db2.gz	DPUZKKAKXBSEAX-SNVBAGLBSA-N	-1	0	317.301	0.103	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1nc(C)n(-c2ccc(F)cc2)n1	ZINC000917005166	665108429	/nfs/dbraw/zinc/10/84/29/665108429.db2.gz	LNMHBCSQOONHER-NSHDSACASA-N	-1	0	301.281	0.783	20	30		DCEDRM
CON=Cc1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)cc1	ZINC000919669875	665226590	/nfs/dbraw/zinc/22/65/90/665226590.db2.gz	DPLDTJRCBXKJJX-UHFFFAOYSA-N	-1	0	311.363	0.737	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)N=c2nn[n-]n2CC)cc1	ZINC000888324248	667178542	/nfs/dbraw/zinc/17/85/42/667178542.db2.gz	RRBOOWXNWWTZHW-UHFFFAOYSA-N	-1	0	300.322	0.449	20	30		DCEDRM
C#CCCCCCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863934154	667195205	/nfs/dbraw/zinc/19/52/05/667195205.db2.gz	FWHLRTSRXDWSCY-UHFFFAOYSA-N	-1	0	314.345	0.788	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000863944021	667196616	/nfs/dbraw/zinc/19/66/16/667196616.db2.gz	BATOEYDEKHHYAA-LBPRGKRZSA-N	-1	0	301.302	0.798	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2C[C@@H]3C[C@H]2CN3CC#N)cc1=O	ZINC001032503509	667332243	/nfs/dbraw/zinc/33/22/43/667332243.db2.gz	LIJVSHZUNOCJDO-KBPBESRZSA-N	-1	0	317.393	0.184	20	30		DCEDRM
C=CC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(O)C2=O)c1	ZINC000868562207	667581363	/nfs/dbraw/zinc/58/13/63/667581363.db2.gz	DPIRJJRBTIDPCJ-LBPRGKRZSA-N	-1	0	303.318	0.921	20	30		DCEDRM
Cc1nc(S(=O)(=O)[N-]C(=O)c2cc(C#N)[nH]c2C)cn1C	ZINC000839018927	667726935	/nfs/dbraw/zinc/72/69/35/667726935.db2.gz	OGMQTCZIZGNDDO-UHFFFAOYSA-N	-1	0	307.335	0.355	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1	ZINC000870280967	667727279	/nfs/dbraw/zinc/72/72/79/667727279.db2.gz	AZQOHJFODYEHML-NWDGAFQWSA-N	-1	0	312.391	0.799	20	30		DCEDRM
N#Cc1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1C#N	ZINC000740684402	667749866	/nfs/dbraw/zinc/74/98/66/667749866.db2.gz	MEQBFHLDFIRIIR-UHFFFAOYSA-N	-1	0	319.284	0.453	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(=O)CC)C2)CC1	ZINC000870833834	667764869	/nfs/dbraw/zinc/76/48/69/667764869.db2.gz	YPURBFPGALKOGW-LLVKDONJSA-N	-1	0	314.407	0.800	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2cn3c(n2)CCCC3)CC1	ZINC000870838767	667765537	/nfs/dbraw/zinc/76/55/37/667765537.db2.gz	LUJNPJCLDOUTOT-UHFFFAOYSA-N	-1	0	309.391	0.927	20	30		DCEDRM
N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)CC(F)(F)F)c1	ZINC000744263033	667824314	/nfs/dbraw/zinc/82/43/14/667824314.db2.gz	BBQBACCVHBODIW-UHFFFAOYSA-N	-1	0	322.264	0.945	20	30		DCEDRM
C#C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)[C@H]1CCCO1	ZINC000872477351	667901232	/nfs/dbraw/zinc/90/12/32/667901232.db2.gz	HBBVGAMCOSDCFS-QQKBFRNYSA-N	-1	0	322.452	0.898	20	30		DCEDRM
Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748410080	667927125	/nfs/dbraw/zinc/92/71/25/667927125.db2.gz	AMRSSNFWLZARAA-UHFFFAOYSA-N	-1	0	320.330	0.502	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1cnn(C)c1	ZINC000750678249	667984844	/nfs/dbraw/zinc/98/48/44/667984844.db2.gz	NCXAYLJGEDBQDL-SNVBAGLBSA-N	-1	0	318.358	0.900	20	30		DCEDRM
Cc1ncc(S(=O)(=O)[N-]C(=O)c2cc(C#N)cn2C)s1	ZINC000755873181	668068817	/nfs/dbraw/zinc/06/88/17/668068817.db2.gz	KOSYXQCWYQGBEJ-UHFFFAOYSA-N	-1	0	310.360	0.780	20	30		DCEDRM
COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000757332043	668126161	/nfs/dbraw/zinc/12/61/61/668126161.db2.gz	QHNRYIAHILZUSZ-UHFFFAOYSA-N	-1	0	303.365	0.173	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000839759413	668141056	/nfs/dbraw/zinc/14/10/56/668141056.db2.gz	ZCNAOWTXEZZKGH-NEPJUHHUSA-N	-1	0	303.366	0.314	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759122181	668207992	/nfs/dbraw/zinc/20/79/92/668207992.db2.gz	IBLBJBSURNCUQE-ZETCQYMHSA-N	-1	0	308.256	0.125	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cnc2nccnc2c1	ZINC000760256727	668265301	/nfs/dbraw/zinc/26/53/01/668265301.db2.gz	RXVGJAQJYMNPGL-UHFFFAOYSA-N	-1	0	305.319	0.388	20	30		DCEDRM
COC(=O)c1ccc(/C=C/C(=O)c2cnc([O-])n(C)c2=O)[nH]1	ZINC000761806337	668337100	/nfs/dbraw/zinc/33/71/00/668337100.db2.gz	YTKWMTOUWMNSSU-GQCTYLIASA-N	-1	0	303.274	0.497	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H]1Oc2ccccc2NC1=O	ZINC000762069948	668345726	/nfs/dbraw/zinc/34/57/26/668345726.db2.gz	ZPWHRTMAUKUQHY-LBPRGKRZSA-N	-1	0	304.302	0.875	20	30		DCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000765652992	668503718	/nfs/dbraw/zinc/50/37/18/668503718.db2.gz	TWUJLVZNWLRCEH-UHFFFAOYSA-N	-1	0	304.331	0.339	20	30		DCEDRM
COc1cc(C=NNc2nnc(C)c(=O)[n-]2)c([N+](=O)[O-])cc1O	ZINC000767045213	668557336	/nfs/dbraw/zinc/55/73/36/668557336.db2.gz	HOIXVLLXVKNTPD-UHFFFAOYSA-N	-1	0	320.265	0.954	20	30		DCEDRM
CN(CC(=O)NCCC#N)Cc1nc(=O)c2sccc2[n-]1	ZINC000767956529	668592922	/nfs/dbraw/zinc/59/29/22/668592922.db2.gz	YZTYOIMHBVTYJD-UHFFFAOYSA-N	-1	0	305.363	0.859	20	30		DCEDRM
O=C([O-])Cn1cc(C=NNc2nc3ccccc3c(=O)[nH]2)nn1	ZINC000768483721	668612084	/nfs/dbraw/zinc/61/20/84/668612084.db2.gz	BCNMIMBDXNZKKT-UHFFFAOYSA-N	-1	0	313.277	0.458	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn2cc(Br)cnc12	ZINC000770108238	668679518	/nfs/dbraw/zinc/67/95/18/668679518.db2.gz	ZSMRZCQJVYLAIZ-ZETCQYMHSA-N	-1	0	322.122	0.560	20	30		DCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2cccc(OCC#N)c2)c1[O-]	ZINC000771878893	668758546	/nfs/dbraw/zinc/75/85/46/668758546.db2.gz	AKKSIFULFQOAMA-NSHDSACASA-N	-1	0	303.274	0.577	20	30		DCEDRM
C#CC(C)(C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000773288765	668799023	/nfs/dbraw/zinc/79/90/23/668799023.db2.gz	GBXVISBETILFDG-UHFFFAOYSA-N	-1	0	308.319	0.126	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2	ZINC000776140685	668871593	/nfs/dbraw/zinc/87/15/93/668871593.db2.gz	HBASOMNMVPCBBX-UHFFFAOYSA-N	-1	0	310.379	0.829	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CN1CCSC1=O	ZINC000776143978	668871918	/nfs/dbraw/zinc/87/19/18/668871918.db2.gz	VMLVCIWIPNQXDL-UHFFFAOYSA-N	-1	0	305.381	0.151	20	30		DCEDRM
N#CCCCCS(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC000776601318	668879155	/nfs/dbraw/zinc/87/91/55/668879155.db2.gz	PDCJIELXTCPHNN-LBPRGKRZSA-N	-1	0	318.395	0.870	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000778711859	668903139	/nfs/dbraw/zinc/90/31/39/668903139.db2.gz	WXOPSBNBTWMWOL-SECBINFHSA-N	-1	0	312.322	0.936	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cc1	ZINC000780614775	669000179	/nfs/dbraw/zinc/00/01/79/669000179.db2.gz	FFUSTSXSFQXXBC-CYBMUJFWSA-N	-1	0	324.358	0.562	20	30		DCEDRM
C#CCN(C(=O)c1cccc(F)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000930472801	669025987	/nfs/dbraw/zinc/02/59/87/669025987.db2.gz	ZXVNMYUQRVIQDY-SNVBAGLBSA-N	-1	0	311.334	0.794	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)COCC1CC1	ZINC000781603123	669051629	/nfs/dbraw/zinc/05/16/29/669051629.db2.gz	PPMLZJUVQASSHR-UHFFFAOYSA-N	-1	0	312.322	0.929	20	30		DCEDRM
CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000781598260	669051691	/nfs/dbraw/zinc/05/16/91/669051691.db2.gz	RWFOYXBDMHMOST-ZETCQYMHSA-N	-1	0	313.310	0.027	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)C[C@@H]1CCOC1)cc2=O	ZINC000783763966	669172593	/nfs/dbraw/zinc/17/25/93/669172593.db2.gz	JLJIWIRPYQLBSF-VIFPVBQESA-N	-1	0	302.290	0.776	20	30		DCEDRM
N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1O	ZINC000785409551	669254510	/nfs/dbraw/zinc/25/45/10/669254510.db2.gz	GBPWUVACQJCFNJ-KGLIPLIRSA-N	-1	0	301.346	0.857	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1	ZINC000786972799	669345476	/nfs/dbraw/zinc/34/54/76/669345476.db2.gz	FSRIRZKMDBVCNP-NXEZZACHSA-N	-1	0	315.395	0.274	20	30		DCEDRM
C=CCn1c(=O)c2ccc(C(=O)NOCCO)cc2[n-]c1=S	ZINC000787284858	669363787	/nfs/dbraw/zinc/36/37/87/669363787.db2.gz	MLYLYLIATWDTGA-UHFFFAOYSA-N	-1	0	321.358	0.525	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)[N-]OC1CCOCC1)c1ccc(C#N)cc1	ZINC000787343919	669369356	/nfs/dbraw/zinc/36/93/56/669369356.db2.gz	INSDSXSTTLTQJZ-LLVKDONJSA-N	-1	0	317.345	0.962	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C)C(=O)[O-]	ZINC000787936612	669413866	/nfs/dbraw/zinc/41/38/66/669413866.db2.gz	TXFWRDWVQVRNGU-NSHDSACASA-N	-1	0	310.331	0.577	20	30		DCEDRM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000788845123	669459635	/nfs/dbraw/zinc/45/96/35/669459635.db2.gz	BJAYFUFNYVDRPL-UHFFFAOYSA-N	-1	0	321.318	0.572	20	30		DCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)c1	ZINC000789789922	669509596	/nfs/dbraw/zinc/50/95/96/669509596.db2.gz	WVYYTGXVVVKHMD-UHFFFAOYSA-N	-1	0	316.342	0.820	20	30		DCEDRM
COCCO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000789825256	669512326	/nfs/dbraw/zinc/51/23/26/669512326.db2.gz	DWZPCPZHLGXWGZ-UHFFFAOYSA-N	-1	0	321.333	0.978	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000790009141	669528735	/nfs/dbraw/zinc/52/87/35/669528735.db2.gz	BNONDIVZYQSSIM-UWVGGRQHSA-N	-1	0	310.316	0.990	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCN2C(C)=O	ZINC000791107275	669593528	/nfs/dbraw/zinc/59/35/28/669593528.db2.gz	KUUZTCMYEQAWDP-UHFFFAOYSA-N	-1	0	320.370	0.679	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)c1	ZINC000791110283	669594547	/nfs/dbraw/zinc/59/45/47/669594547.db2.gz	ASLCYURJXSIDON-UHFFFAOYSA-N	-1	0	303.343	0.955	20	30		DCEDRM
Cn1ncc(C([O-])=C(C#N)C(=O)NC2CC2)c1Br	ZINC000791770761	669629097	/nfs/dbraw/zinc/62/90/97/669629097.db2.gz	DZPHTKLGIXCTHK-ZETCQYMHSA-N	-1	0	311.139	0.784	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](CCSC)NC(=O)CC	ZINC000810774605	669666140	/nfs/dbraw/zinc/66/61/40/669666140.db2.gz	LAEODDDLQYTLPI-JTQLQIEISA-N	-1	0	320.436	0.104	20	30		DCEDRM
CC[C@H](NN=C(C)c1ccc(S(=O)(=O)NC)cc1)C(=O)[O-]	ZINC000793072860	669700792	/nfs/dbraw/zinc/70/07/92/669700792.db2.gz	QNFNWIULWSOSQD-LBPRGKRZSA-N	-1	0	313.379	0.772	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cnc(OCC2CC2)cn1	ZINC000793191291	669706769	/nfs/dbraw/zinc/70/67/69/669706769.db2.gz	REICJUULCGJOIE-UHFFFAOYSA-N	-1	0	324.362	0.629	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1c(C)nc2ncnn2c1C	ZINC000132775426	669746584	/nfs/dbraw/zinc/74/65/84/669746584.db2.gz	NRVUSLSHDUIELZ-UHFFFAOYSA-N	-1	0	323.378	0.306	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2ccsc2)cc1C(N)=O	ZINC000042345436	669827877	/nfs/dbraw/zinc/82/78/77/669827877.db2.gz	YHBDAYUQZPALKI-UHFFFAOYSA-N	-1	0	313.360	0.879	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnc(NC(=O)C2CC2)c1	ZINC000797182827	669958829	/nfs/dbraw/zinc/95/88/29/669958829.db2.gz	DBOUOCPUBMZBKQ-UHFFFAOYSA-N	-1	0	309.347	0.676	20	30		DCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797299511	669964481	/nfs/dbraw/zinc/96/44/81/669964481.db2.gz	NPHDEXRVHMMNJN-SSDOTTSWSA-N	-1	0	300.292	0.081	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(OC(F)F)n(C)n1	ZINC000798202973	669991915	/nfs/dbraw/zinc/99/19/15/669991915.db2.gz	PIPWXXKDZNYZRD-UHFFFAOYSA-N	-1	0	307.278	0.104	20	30		DCEDRM
C[C@@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)n1cnc(C#N)n1	ZINC000798742164	670020850	/nfs/dbraw/zinc/02/08/50/670020850.db2.gz	HRXPWJHZNQNAQJ-ZETCQYMHSA-N	-1	0	319.243	0.323	20	30		DCEDRM
C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)O1	ZINC000800406580	670089603	/nfs/dbraw/zinc/08/96/03/670089603.db2.gz	MLTBRNQYROYKIH-HBNTYKKESA-N	-1	0	300.380	0.940	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)s1	ZINC000802209423	670158466	/nfs/dbraw/zinc/15/84/66/670158466.db2.gz	XNFKLXJURVWCHX-UHFFFAOYSA-N	-1	0	322.371	0.881	20	30		DCEDRM
N#CCOc1cccc(CC(=O)[N-]S(=O)(=O)N2CCCC2)c1	ZINC000810547108	670488928	/nfs/dbraw/zinc/48/89/28/670488928.db2.gz	OWGSKQCQEVFORJ-UHFFFAOYSA-N	-1	0	323.374	0.588	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)SCC(=O)N2	ZINC000810642944	670492452	/nfs/dbraw/zinc/49/24/52/670492452.db2.gz	DJDKVQLBXPMWKP-UHFFFAOYSA-N	-1	0	312.372	0.976	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCCCC(N)=O)CCCC1	ZINC000810661635	670492918	/nfs/dbraw/zinc/49/29/18/670492918.db2.gz	LTJNHSNRKAJJAS-UHFFFAOYSA-N	-1	0	315.395	0.562	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)OC)C1	ZINC000810774548	670496872	/nfs/dbraw/zinc/49/68/72/670496872.db2.gz	JXGDMMOWWSWUKA-QWRGUYRKSA-N	-1	0	301.364	0.435	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCN(CC(F)(F)F)C1	ZINC000810773900	670496924	/nfs/dbraw/zinc/49/69/24/670496924.db2.gz	INGOHHRXCUGAJJ-VIFPVBQESA-N	-1	0	312.313	0.340	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](NC(N)=O)c1ccccc1	ZINC000810775487	670497200	/nfs/dbraw/zinc/49/72/00/670497200.db2.gz	IHANRSMJVGUZOE-GFCCVEGCSA-N	-1	0	323.374	0.255	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc2c(C)nn(C)c2nc1C	ZINC000810777878	670497224	/nfs/dbraw/zinc/49/72/24/670497224.db2.gz	JZJNJGMJXNRPBM-UHFFFAOYSA-N	-1	0	320.374	0.668	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(O[C@H]2CCOC2)c1	ZINC000810781683	670497674	/nfs/dbraw/zinc/49/76/74/670497674.db2.gz	IIFBSDCZANMTSI-LBPRGKRZSA-N	-1	0	324.358	0.332	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccccc1	ZINC000810783645	670498083	/nfs/dbraw/zinc/49/80/83/670498083.db2.gz	YGTKPNOWLQGLSV-UHFFFAOYSA-N	-1	0	322.386	0.666	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCCCNC(N)=O)CC1	ZINC000810981380	670501743	/nfs/dbraw/zinc/50/17/43/670501743.db2.gz	BDHMGOREDFCHFL-UHFFFAOYSA-N	-1	0	303.384	0.380	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)Cn2ccc(C)cc2=O)CC1	ZINC000810981984	670501813	/nfs/dbraw/zinc/50/18/13/670501813.db2.gz	WXRWIXALJSUPII-UHFFFAOYSA-N	-1	0	310.375	0.711	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccoc2CC(N)=O)CC1	ZINC000810984160	670501859	/nfs/dbraw/zinc/50/18/59/670501859.db2.gz	UCLPBPAIPFASTE-UHFFFAOYSA-N	-1	0	312.347	0.476	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCc3nnn(C)c3C2)CC1	ZINC000810983473	670501869	/nfs/dbraw/zinc/50/18/69/670501869.db2.gz	BOQXHEAYWIXQJY-JTQLQIEISA-N	-1	0	324.406	0.475	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1scc2c1OCCO2	ZINC000847623874	670583141	/nfs/dbraw/zinc/58/31/41/670583141.db2.gz	PAEHETUGKJVMMS-QMMMGPOBSA-N	-1	0	310.331	0.604	20	30		DCEDRM
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847685239	670590910	/nfs/dbraw/zinc/59/09/10/670590910.db2.gz	FJHRTGYGESOVAS-NXEZZACHSA-N	-1	0	304.368	0.714	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000812784602	670595853	/nfs/dbraw/zinc/59/58/53/670595853.db2.gz	YFGQXDWSSVSSRQ-LLVKDONJSA-N	-1	0	310.375	0.721	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000813955050	670665782	/nfs/dbraw/zinc/66/57/82/670665782.db2.gz	YJXRWLARZQREMS-ZDUSSCGKSA-N	-1	0	315.395	0.762	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@H]2CC2(Cl)Cl)c1	ZINC000813981575	670667622	/nfs/dbraw/zinc/66/76/22/670667622.db2.gz	REYUKHCHPPNRFI-MRVPVSSYSA-N	-1	0	320.157	0.952	20	30		DCEDRM
Cc1ccncc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983279	670667761	/nfs/dbraw/zinc/66/77/61/670667761.db2.gz	OMFSJOSENGZTOJ-UHFFFAOYSA-N	-1	0	302.315	0.775	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCOCC2CC2)c1	ZINC000813983316	670668275	/nfs/dbraw/zinc/66/82/75/670668275.db2.gz	PSFMNMWYOBLGRA-UHFFFAOYSA-N	-1	0	309.347	0.575	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1	ZINC000855027049	670671349	/nfs/dbraw/zinc/67/13/49/670671349.db2.gz	XDFBTGUXKUJHLS-KGLIPLIRSA-N	-1	0	305.334	0.604	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000848599062	670701078	/nfs/dbraw/zinc/70/10/78/670701078.db2.gz	BXIITKHHHBUEKM-JTQLQIEISA-N	-1	0	304.302	0.474	20	30		DCEDRM
C#CCCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000848612281	670705418	/nfs/dbraw/zinc/70/54/18/670705418.db2.gz	YTWTZZNSLBJGAE-GRYCIOLGSA-N	-1	0	308.378	0.768	20	30		DCEDRM
CNC(=O)CNC(=S)NN=Cc1cc(C(=O)[O-])c(C)cc1C	ZINC000814845528	670705427	/nfs/dbraw/zinc/70/54/27/670705427.db2.gz	ZJFHKAYIGKWGBH-UHFFFAOYSA-N	-1	0	322.390	0.546	20	30		DCEDRM
O=C([O-])CNN=Cc1c[nH]nc1-c1ccc2c(c1)OCCO2	ZINC000814959063	670710177	/nfs/dbraw/zinc/71/01/77/670710177.db2.gz	JVBJYMPVGURUEA-UHFFFAOYSA-N	-1	0	302.290	0.856	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@](C)(O)CN1c2ccccc2C(C)(C)C1=O	ZINC000855607038	670735002	/nfs/dbraw/zinc/73/50/02/670735002.db2.gz	VJIXTUKFWQPXPA-KRWDZBQOSA-N	-1	0	316.357	0.743	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000815899975	670771202	/nfs/dbraw/zinc/77/12/02/670771202.db2.gz	KIIBRGDMGTVPPQ-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CC1	ZINC000815974326	670776538	/nfs/dbraw/zinc/77/65/38/670776538.db2.gz	CQKRAHOWAITTFY-UHFFFAOYSA-N	-1	0	310.291	0.489	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)CCOCCOC	ZINC000815987080	670778136	/nfs/dbraw/zinc/77/81/36/670778136.db2.gz	SJZBNYCHIGFPLO-UHFFFAOYSA-N	-1	0	301.311	0.307	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000816010087	670779405	/nfs/dbraw/zinc/77/94/05/670779405.db2.gz	VUKNVOOPTAAYOC-LLVKDONJSA-N	-1	0	309.347	0.500	20	30		DCEDRM
C#C[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1CCOCC1	ZINC000856102379	670786463	/nfs/dbraw/zinc/78/64/63/670786463.db2.gz	CQIYKRQOXVBUFV-JTQLQIEISA-N	-1	0	320.311	0.988	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)s1	ZINC000850782110	670939879	/nfs/dbraw/zinc/93/98/79/670939879.db2.gz	HHJUWRRYKBHGPH-SSDOTTSWSA-N	-1	0	316.360	0.889	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000850873543	670951925	/nfs/dbraw/zinc/95/19/25/670951925.db2.gz	YBJJMCSVBAPCME-LLVKDONJSA-N	-1	0	315.351	0.092	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1	ZINC000850913430	670954407	/nfs/dbraw/zinc/95/44/07/670954407.db2.gz	QEBVOJBACINZLO-CHWSQXEVSA-N	-1	0	311.359	0.775	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)ccc1C#N	ZINC000850938296	670955843	/nfs/dbraw/zinc/95/58/43/670955843.db2.gz	YPBBSQPLPJGGAF-GFCCVEGCSA-N	-1	0	324.358	0.805	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C	ZINC000851017213	670961274	/nfs/dbraw/zinc/96/12/74/670961274.db2.gz	CEYGUBGLVJIWIR-VIFPVBQESA-N	-1	0	319.383	0.507	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@H]2CCOC2)CC1	ZINC000851032559	670962929	/nfs/dbraw/zinc/96/29/29/670962929.db2.gz	UIWCDRIHRBVQSQ-QWRGUYRKSA-N	-1	0	303.380	0.593	20	30		DCEDRM
COC(=O)c1oc(S(=O)(=O)[N-]C(=O)CCCC#N)cc1C	ZINC000851510642	670994939	/nfs/dbraw/zinc/99/49/39/670994939.db2.gz	AUMKVUFETBRMIZ-UHFFFAOYSA-N	-1	0	314.319	0.873	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000818315765	671002288	/nfs/dbraw/zinc/00/22/88/671002288.db2.gz	AIRUWZCTYGZVDW-GHMZBOCLSA-N	-1	0	308.338	0.731	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)N2CCOCC2)CCOCC1	ZINC000820123711	671167583	/nfs/dbraw/zinc/16/75/83/671167583.db2.gz	HOXQTXMZUBZAEW-UHFFFAOYSA-N	-1	0	318.395	0.053	20	30		DCEDRM
CC1(C)C(=O)Nc2ccc(C(=O)N[C@H]3CCN(O)C3=O)cc21	ZINC000820148082	671172322	/nfs/dbraw/zinc/17/23/22/671172322.db2.gz	CJZJBJZVUZCDDP-NSHDSACASA-N	-1	0	303.318	0.636	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)c2cnn(CC)c2)nn1	ZINC000820206840	671178554	/nfs/dbraw/zinc/17/85/54/671178554.db2.gz	BVIQVIRPEMOKLR-UHFFFAOYSA-N	-1	0	324.366	0.189	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2ccc(C(N)=O)o2)CC1	ZINC000853114954	671209671	/nfs/dbraw/zinc/20/96/71/671209671.db2.gz	BMXWODXGYZJDNT-DUXPYHPUSA-N	-1	0	323.330	0.141	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cncc(N2CCCC2=O)c1	ZINC000860470736	671211794	/nfs/dbraw/zinc/21/17/94/671211794.db2.gz	UWIKOWBRIMZAIG-CYBMUJFWSA-N	-1	0	312.329	0.833	20	30		DCEDRM
COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1)OC	ZINC000853200701	671217314	/nfs/dbraw/zinc/21/73/14/671217314.db2.gz	PJYDVNLVVWSKTQ-LBPRGKRZSA-N	-1	0	312.347	0.279	20	30		DCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000853206909	671219399	/nfs/dbraw/zinc/21/93/99/671219399.db2.gz	WLTLLCVGRANNLI-GFCCVEGCSA-N	-1	0	305.396	0.678	20	30		DCEDRM
CCO[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C(C)C	ZINC000860785195	671238278	/nfs/dbraw/zinc/23/82/78/671238278.db2.gz	OZIOJDGDULEHFR-GFCCVEGCSA-N	-1	0	311.363	0.819	20	30		DCEDRM
Cc1ccccc1/C=C/C(=O)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000821013251	671246261	/nfs/dbraw/zinc/24/62/61/671246261.db2.gz	XGQSNQWPIPSGBH-CMDGGOBGSA-N	-1	0	300.314	0.994	20	30		DCEDRM
CC(=O)N1CCc2cc(C(=O)[N-]S(=O)(=O)CCC#N)ccc21	ZINC000821583986	671284760	/nfs/dbraw/zinc/28/47/60/671284760.db2.gz	NMOBYNNHIRPCST-UHFFFAOYSA-N	-1	0	321.358	0.569	20	30		DCEDRM
Cc1nc(CCn2c(N)nc(-c3nnn[n-]3)c2C#N)cs1	ZINC000826325805	671483822	/nfs/dbraw/zinc/48/38/22/671483822.db2.gz	MKTLNNNHWCYJTE-UHFFFAOYSA-N	-1	0	301.339	0.525	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CCOc1cccc(C#N)c1	ZINC000826387248	671487145	/nfs/dbraw/zinc/48/71/45/671487145.db2.gz	MDHDNNNDCRXZLE-UHFFFAOYSA-N	-1	0	306.289	0.886	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)c1	ZINC000831271295	671662525	/nfs/dbraw/zinc/66/25/25/671662525.db2.gz	DSIUAODCDJWIFT-JTQLQIEISA-N	-1	0	324.362	0.118	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1noc2ccccc12	ZINC000835042611	671787052	/nfs/dbraw/zinc/78/70/52/671787052.db2.gz	WDFYBZRZJNGQNI-SNVBAGLBSA-N	-1	0	322.342	0.812	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OCC)nc1	ZINC000835286436	671792434	/nfs/dbraw/zinc/79/24/34/671792434.db2.gz	FIFPBHYXQQHYEB-SNVBAGLBSA-N	-1	0	312.347	0.324	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnc(C)s1	ZINC000835349271	671793874	/nfs/dbraw/zinc/79/38/74/671793874.db2.gz	GKXPQKUKTVIPKY-BDAKNGLRSA-N	-1	0	302.377	0.848	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(C(=O)OC)cc1	ZINC000835372828	671794653	/nfs/dbraw/zinc/79/46/53/671794653.db2.gz	ZDUFEZKNXTUPCV-UHFFFAOYSA-N	-1	0	309.343	0.485	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cn(CC3CC3)nn2)CC1	ZINC000835448475	671796730	/nfs/dbraw/zinc/79/67/30/671796730.db2.gz	HGFWTLYLCBFXHU-UHFFFAOYSA-N	-1	0	310.379	0.856	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC1(C(=O)[O-])CCCCC1	ZINC000841776257	671953612	/nfs/dbraw/zinc/95/36/12/671953612.db2.gz	GWGMLJJMLRIPHG-JTQLQIEISA-N	-1	0	303.384	0.700	20	30		DCEDRM
COCC1(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000842763994	672035210	/nfs/dbraw/zinc/03/52/10/672035210.db2.gz	QFPHCQNHAURGKL-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC000843045861	672055798	/nfs/dbraw/zinc/05/57/98/672055798.db2.gz	YCWFCDLGELERRP-STQMWFEESA-N	-1	0	316.313	0.620	20	30		DCEDRM
CC[C@H](NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)C(=O)[O-]	ZINC000843048291	672055872	/nfs/dbraw/zinc/05/58/72/672055872.db2.gz	XNVMPFFQXFHMHL-ZJUUUORDSA-N	-1	0	319.317	0.895	20	30		DCEDRM
COC/C(C)=C\C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000845516012	672254993	/nfs/dbraw/zinc/25/49/93/672254993.db2.gz	BXHYXZIFIOFPQD-POHAHGRESA-N	-1	0	324.358	0.964	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc([C@H]2CCCOC2)nn1C	ZINC000846147933	672297579	/nfs/dbraw/zinc/29/75/79/672297579.db2.gz	YISFJCSMRMDDKU-NSHDSACASA-N	-1	0	322.365	0.877	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1	ZINC000846155282	672297917	/nfs/dbraw/zinc/29/79/17/672297917.db2.gz	FRNVNZWSEHVKJJ-NOZJJQNGSA-N	-1	0	319.317	0.472	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C	ZINC000846158037	672298289	/nfs/dbraw/zinc/29/82/89/672298289.db2.gz	ZGYNPMDHPMOPFQ-VIFPVBQESA-N	-1	0	303.318	0.766	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(CC(=O)OC)cc1	ZINC000846156725	672298336	/nfs/dbraw/zinc/29/83/36/672298336.db2.gz	XVKXVGOXIVBQGH-JTQLQIEISA-N	-1	0	306.318	0.963	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000846493294	672318007	/nfs/dbraw/zinc/31/80/07/672318007.db2.gz	UNICURSZAMUUOV-CQSZACIVSA-N	-1	0	313.354	0.432	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000846542363	672326257	/nfs/dbraw/zinc/32/62/57/672326257.db2.gz	ADNOAGZDUQMNNF-SECBINFHSA-N	-1	0	321.289	0.943	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)CNS(=O)(=O)c1cccc(F)c1	ZINC000846542082	672326474	/nfs/dbraw/zinc/32/64/74/672326474.db2.gz	UEGVYHQNWGWEKE-VIFPVBQESA-N	-1	0	302.327	0.726	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000846546734	672326815	/nfs/dbraw/zinc/32/68/15/672326815.db2.gz	FHVHZINILQNGRB-QWRGUYRKSA-N	-1	0	323.374	0.847	20	30		DCEDRM
Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cn1	ZINC000771082721	685337241	/nfs/dbraw/zinc/33/72/41/685337241.db2.gz	VEVJYUQYRLRYHL-UHFFFAOYSA-N	-1	0	324.406	0.838	20	30		DCEDRM
Cn1cc(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cn1	ZINC000771079705	685336880	/nfs/dbraw/zinc/33/68/80/685336880.db2.gz	XGHZWYSJELUSKW-UHFFFAOYSA-N	-1	0	310.379	0.493	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCC2CCOCC2)c1	ZINC000813984910	685351598	/nfs/dbraw/zinc/35/15/98/685351598.db2.gz	GFJFHUXPQSICKA-UHFFFAOYSA-N	-1	0	323.374	0.965	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)C(=O)OC	ZINC000841540835	685365647	/nfs/dbraw/zinc/36/56/47/685365647.db2.gz	RIZJKKQDOUALDY-CYBMUJFWSA-N	-1	0	321.354	0.904	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@H](NC(C)=O)c1cccs1)C(=O)[O-]	ZINC000149884967	685131912	/nfs/dbraw/zinc/13/19/12/685131912.db2.gz	CMPMPIJLAIYULM-MNOVXSKESA-N	-1	0	308.359	0.908	20	30		DCEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(C(=O)C#CC2CC2)C1	ZINC000967885696	690111413	/nfs/dbraw/zinc/11/14/13/690111413.db2.gz	IXQSMASNARLRPU-UHFFFAOYSA-N	-1	0	316.361	0.510	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC=C(Br)C2)c(C#N)c1=O	ZINC001646633402	1159018697	/nfs/dbraw/zinc/01/86/97/1159018697.db2.gz	ACCOZYOCAPBUHC-UHFFFAOYSA-N	-1	0	311.139	0.434	20	30		DCEDRM
C#Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cc1	ZINC001570728177	1162602064	/nfs/dbraw/zinc/60/20/64/1162602064.db2.gz	KDYVQYOWKCVBAI-NSHDSACASA-N	-1	0	313.361	0.742	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001746133682	1158288459	/nfs/dbraw/zinc/28/84/59/1158288459.db2.gz	CYTLTLGVEHGKKE-QWRGUYRKSA-N	-1	0	322.365	0.087	20	30		DCEDRM
CCOC(=O)COCCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001569230824	1160987854	/nfs/dbraw/zinc/98/78/54/1160987854.db2.gz	SNYSSVZMLXPKEI-UHFFFAOYSA-N	-1	0	307.306	0.277	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1)C(=O)[O-]	ZINC001573307185	1163411483	/nfs/dbraw/zinc/41/14/83/1163411483.db2.gz	IIYCGVUSRVHUFB-SZEHBUNVSA-N	-1	0	314.729	0.300	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCc1nc(-c2ccncc2)no1)C(=O)[O-]	ZINC001573302040	1163412078	/nfs/dbraw/zinc/41/20/78/1163412078.db2.gz	IPDPBTXJIHUVRG-LLVKDONJSA-N	-1	0	314.301	0.657	20	30		DCEDRM
C#CC[C@H](NC(=O)CCc1nc(-c2ccncc2)no1)C(=O)[O-]	ZINC001573302041	1163412950	/nfs/dbraw/zinc/41/29/50/1163412950.db2.gz	IPDPBTXJIHUVRG-NSHDSACASA-N	-1	0	314.301	0.657	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC(C)(C)C)nc1	ZINC001573463814	1163442545	/nfs/dbraw/zinc/44/25/45/1163442545.db2.gz	DDBKGBXTBACVLI-LBPRGKRZSA-N	-1	0	318.329	0.978	20	30		DCEDRM
CC(C)(CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)C(=O)[O-]	ZINC001573476291	1163446297	/nfs/dbraw/zinc/44/62/97/1163446297.db2.gz	DPKGGVHIMMLIHV-UHFFFAOYSA-N	-1	0	321.337	0.557	20	30		DCEDRM
CC(C)(CCN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)CC(=O)[O-]	ZINC001573476324	1163446342	/nfs/dbraw/zinc/44/63/42/1163446342.db2.gz	HDRJGWDPOMVCGL-SMDDNHRTSA-N	-1	0	314.407	0.748	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	ZINC001573769299	1163548871	/nfs/dbraw/zinc/54/88/71/1163548871.db2.gz	KYNBCRSCJRWVCR-WISYIIOYSA-N	-1	0	315.395	0.365	20	30		DCEDRM
CCn1cc(C#N)c(NC(=O)N2CC[C@@H](CO)C2)c1C(=O)[O-]	ZINC001573844265	1163565532	/nfs/dbraw/zinc/56/55/32/1163565532.db2.gz	FFUYUZVCLHCMNW-SECBINFHSA-N	-1	0	306.322	0.924	20	30		DCEDRM
N#Cc1cc(N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)nc(C2CC2)n1	ZINC001574245221	1163671920	/nfs/dbraw/zinc/67/19/20/1163671920.db2.gz	ISMYQDDNAMDFEI-GXSJLCMTSA-N	-1	0	303.322	0.608	20	30		DCEDRM
N#C[C@H]1CN(C(=O)Nc2ccn3ncc(C(=O)[O-])c3c2)CCO1	ZINC001574241252	1163671951	/nfs/dbraw/zinc/67/19/51/1163671951.db2.gz	JTJBMLPMWRJFJB-JTQLQIEISA-N	-1	0	315.289	0.789	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)c(F)c1	ZINC001574245287	1163672021	/nfs/dbraw/zinc/67/20/21/1163672021.db2.gz	KKMQUYSMBJAWFV-BXKDBHETSA-N	-1	0	307.281	0.398	20	30		DCEDRM
N#Cc1ccnc(C(=O)N2CCC[C@@H]2c2n[nH]nc2C(=O)[O-])c1	ZINC001574248556	1163673853	/nfs/dbraw/zinc/67/38/53/1163673853.db2.gz	KRUAPBUMPQYTDA-SNVBAGLBSA-N	-1	0	312.289	0.747	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NCc2cc(C(=O)[O-])no2)nc1	ZINC001574249672	1163674315	/nfs/dbraw/zinc/67/43/15/1163674315.db2.gz	KIJFRUWPPXTVOA-UHFFFAOYSA-N	-1	0	301.262	0.368	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCC[C@@H]32)cn1	ZINC001574797158	1163753420	/nfs/dbraw/zinc/75/34/20/1163753420.db2.gz	QVLCPODPQDLTNT-XDTLVQLUSA-N	-1	0	321.358	0.970	20	30		DCEDRM
C[C@H](O)C[C@@H]1CCCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001575479336	1164030044	/nfs/dbraw/zinc/03/00/44/1164030044.db2.gz	ABOLESRMFGDDDV-UWVGGRQHSA-N	-1	0	314.353	0.658	20	30		DCEDRM
CCCN(CC(=O)OCC)c1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001577575875	1164726505	/nfs/dbraw/zinc/72/65/05/1164726505.db2.gz	DLLLDSXDUOXSAA-UHFFFAOYSA-N	-1	0	316.325	0.308	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)c1C#N)c1ccccc1	ZINC001580307228	1165565630	/nfs/dbraw/zinc/56/56/30/1165565630.db2.gz	MIHLWMMJCZZSPQ-SNVBAGLBSA-N	-1	0	322.332	0.812	20	30		DCEDRM
N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2	ZINC001581857517	1165890089	/nfs/dbraw/zinc/89/00/89/1165890089.db2.gz	BMFFRJKNCGFYQD-FOGDFJRCSA-N	-1	0	312.337	0.053	20	30		DCEDRM
N#Cc1ncc(NC[C@H](O)c2ccsc2)nc1-c1nnn[n-]1	ZINC001581883290	1165900689	/nfs/dbraw/zinc/90/06/89/1165900689.db2.gz	VAUHQHYVZUUBEZ-VIFPVBQESA-N	-1	0	314.334	0.735	20	30		DCEDRM
N#Cc1ncc(N2CCCC[C@@H]2c2cc[nH]n2)nc1-c1nnn[n-]1	ZINC001581882180	1165900767	/nfs/dbraw/zinc/90/07/67/1165900767.db2.gz	OIZFOADZYFNXCO-LLVKDONJSA-N	-1	0	322.336	0.983	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2c3ccccc3C[C@H]2O)nc1-c1nnn[n-]1	ZINC001581883164	1165900809	/nfs/dbraw/zinc/90/08/09/1165900809.db2.gz	QFXSIMIBZYJNCE-DGCLKSJQSA-N	-1	0	320.316	0.599	20	30		DCEDRM
N#Cc1ncc(NCc2nc(C(F)F)no2)nc1-c1nnn[n-]1	ZINC001581884332	1165903318	/nfs/dbraw/zinc/90/33/18/1165903318.db2.gz	VGIMXCRUUNMXBP-UHFFFAOYSA-N	-1	0	320.223	0.461	20	30		DCEDRM
N#Cc1ncc(NCc2cnn(CCF)c2)nc1-c1nnn[n-]1	ZINC001581884017	1165903525	/nfs/dbraw/zinc/90/35/25/1165903525.db2.gz	HFUWVWCPFVFVQN-UHFFFAOYSA-N	-1	0	314.288	0.306	20	30		DCEDRM
CC#CCCCC(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001582234404	1165987974	/nfs/dbraw/zinc/98/79/74/1165987974.db2.gz	ICMNBEADIZFXRZ-UHFFFAOYSA-N	-1	0	318.377	0.806	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCO[C@H]2CCOC2)cc1C#N	ZINC001585084510	1166399279	/nfs/dbraw/zinc/39/92/79/1166399279.db2.gz	NTLAUZNBNCPDCZ-JTQLQIEISA-N	-1	0	323.374	0.916	20	30		DCEDRM
C[C@@H]1CC/C(=C\C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001585295758	1166415277	/nfs/dbraw/zinc/41/52/77/1166415277.db2.gz	LLEBNVFHLLEPDR-UEUZTHOGSA-N	-1	0	302.334	0.683	20	30		DCEDRM
C#CCN(CC#CC)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC001586951677	1166500855	/nfs/dbraw/zinc/50/08/55/1166500855.db2.gz	UAOYVZVQZNFWHC-UHFFFAOYSA-N	-1	0	306.343	0.138	20	30		DCEDRM
C#C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)(C)C	ZINC001588327231	1166524183	/nfs/dbraw/zinc/52/41/83/1166524183.db2.gz	FFYKHKXGIKFWIT-DTWKUNHWSA-N	-1	0	302.342	0.183	20	30		DCEDRM
C#CCCCC(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1	ZINC001588340088	1166533921	/nfs/dbraw/zinc/53/39/21/1166533921.db2.gz	FGKIXRRDSPKVON-UHFFFAOYSA-N	-1	0	314.353	0.013	20	30		DCEDRM
C=C(Br)Cn1nc(C)c(C)c(-c2nnn[n-]2)c1=O	ZINC001588391058	1166549098	/nfs/dbraw/zinc/54/90/98/1166549098.db2.gz	CUISKQMWGNHAGP-UHFFFAOYSA-N	-1	0	311.143	0.949	20	30		DCEDRM
C#Cc1ccccc1CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001588376435	1166549274	/nfs/dbraw/zinc/54/92/74/1166549274.db2.gz	FWTPWMACEUSJRC-UHFFFAOYSA-N	-1	0	318.300	0.624	20	30		DCEDRM
C=C(C)CN(CC)C(=O)Cn1ccc(C)c(-c2nnn[n-]2)c1=O	ZINC001588426556	1166553600	/nfs/dbraw/zinc/55/36/00/1166553600.db2.gz	ZIBVKYBSHHXCQF-UHFFFAOYSA-N	-1	0	316.365	0.761	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)Cc1ccc(F)cc1F)C(=O)[O-]	ZINC001588423512	1166554067	/nfs/dbraw/zinc/55/40/67/1166554067.db2.gz	JNHHXOBDTMANIZ-NSHDSACASA-N	-1	0	303.286	0.861	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC001588728136	1166581459	/nfs/dbraw/zinc/58/14/59/1166581459.db2.gz	NEQUBTCELRNJCP-AGIUHOORSA-N	-1	0	315.333	0.360	20	30		DCEDRM
C=C[C@H](CO)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1	ZINC001588727407	1166581628	/nfs/dbraw/zinc/58/16/28/1166581628.db2.gz	AAJHLBFXLSQOTE-NXEZZACHSA-N	-1	0	303.322	0.297	20	30		DCEDRM
CC#CCCNC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC001588746193	1166585071	/nfs/dbraw/zinc/58/50/71/1166585071.db2.gz	NFNDXETVZIVAGV-UHFFFAOYSA-N	-1	0	318.362	0.832	20	30		DCEDRM
C[C@@H](C(=O)Nc1ccccc1C#N)n1cnc(-c2nnn[n-]2)n1	ZINC001589020084	1166628665	/nfs/dbraw/zinc/62/86/65/1166628665.db2.gz	CMRYJWPHLJWWEC-QMMMGPOBSA-N	-1	0	309.293	0.530	20	30		DCEDRM
CC(C)c1nnc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)s1	ZINC001589778409	1166686271	/nfs/dbraw/zinc/68/62/71/1166686271.db2.gz	GQRSYTQXUXPOJS-UHFFFAOYSA-N	-1	0	316.354	0.540	20	30		DCEDRM
CC(C)c1noc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)n1	ZINC001589779610	1166686700	/nfs/dbraw/zinc/68/67/00/1166686700.db2.gz	ODUBUODJCVYAJG-UHFFFAOYSA-N	-1	0	300.286	0.072	20	30		DCEDRM
C[C@@H](NCC#N)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001589959449	1166729894	/nfs/dbraw/zinc/72/98/94/1166729894.db2.gz	ZCPSOSPUBAYSHF-ZJUUUORDSA-N	-1	0	314.353	0.159	20	30		DCEDRM
CCc1c(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cnn1C	ZINC001590871995	1167043862	/nfs/dbraw/zinc/04/38/62/1167043862.db2.gz	GDNPVXQDXFCHJA-UHFFFAOYSA-N	-1	0	312.297	0.010	20	30		DCEDRM
Cc1n[nH]cc1CCCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001591794341	1167381611	/nfs/dbraw/zinc/38/16/11/1167381611.db2.gz	DJDHKVXPDRUWGK-UHFFFAOYSA-N	-1	0	310.325	0.605	20	30		DCEDRM
Cc1c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cccc1-c1nn[nH]n1	ZINC001591811950	1167384996	/nfs/dbraw/zinc/38/49/96/1167384996.db2.gz	RZWCCNYKGWJZPU-UHFFFAOYSA-N	-1	0	319.288	0.894	20	30		DCEDRM
Cn1cc(C[C@@H](CO)Nc2c(C#N)cccc2-c2nn[nH]n2)cn1	ZINC001592571516	1167565959	/nfs/dbraw/zinc/56/59/59/1167565959.db2.gz	ZYIXODLQHXENCX-LBPRGKRZSA-N	-1	0	324.348	0.487	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1ccc(C#N)cc1F	ZINC001592693646	1167603099	/nfs/dbraw/zinc/60/30/99/1167603099.db2.gz	SEWAIPLFDCTCBB-UHFFFAOYSA-N	-1	0	309.268	0.576	20	30		DCEDRM
N#Cc1cccc(OCCn2cnc(-c3nnn[n-]3)cc2=O)c1	ZINC001592700286	1167605109	/nfs/dbraw/zinc/60/51/09/1167605109.db2.gz	PVDNSIPYPMGRKZ-UHFFFAOYSA-N	-1	0	309.289	0.374	20	30		DCEDRM
N#Cc1nc(Sc2nc3c([nH]2)CCC3)cnc1-c1nnn[n-]1	ZINC001592708398	1167605996	/nfs/dbraw/zinc/60/59/96/1167605996.db2.gz	OUOWDJBGHJLUOR-UHFFFAOYSA-N	-1	0	311.334	0.891	20	30		DCEDRM
N#Cc1ncc(NC[C@@H]2C[C@H]3CCC[C@H]3O2)nc1-c1nnn[n-]1	ZINC001592710660	1167609255	/nfs/dbraw/zinc/60/92/55/1167609255.db2.gz	SSNSJOXARHDNTP-WCABBAIRSA-N	-1	0	312.337	0.898	20	30		DCEDRM
CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])[C@@H](C)O	ZINC001595311564	1167970159	/nfs/dbraw/zinc/97/01/59/1167970159.db2.gz	QLOCIMUXLPQRFC-KCJUWKMLSA-N	-1	0	312.347	0.694	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2ccc(C#N)o2)[C@@H](C(=O)[O-])C1	ZINC001598794741	1168036167	/nfs/dbraw/zinc/03/61/67/1168036167.db2.gz	CADBPRFFYYDJNS-WCBMZHEXSA-N	-1	0	306.274	0.630	20	30		DCEDRM
Cc1nc(C)c(CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(=O)[nH]1	ZINC001600690852	1168251875	/nfs/dbraw/zinc/25/18/75/1168251875.db2.gz	FWJKPXOBMRYASJ-UHFFFAOYSA-N	-1	0	318.333	0.559	20	30		DCEDRM
Cc1nc(N(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])ccc1C#N	ZINC001600709077	1168259618	/nfs/dbraw/zinc/25/96/18/1168259618.db2.gz	WOVPRVYODQVMIJ-RYUDHWBXSA-N	-1	0	302.334	0.535	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CCO[C@@H](C#N)C2)cc1C(=O)[O-]	ZINC001600745618	1168273902	/nfs/dbraw/zinc/27/39/02/1168273902.db2.gz	SHCUCDYWSUGILS-VIFPVBQESA-N	-1	0	311.319	0.001	20	30		DCEDRM
Cc1nn(C)c(-n2cccn2)c1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001600767560	1168284156	/nfs/dbraw/zinc/28/41/56/1168284156.db2.gz	QZJDNPRXCCGOID-UHFFFAOYSA-N	-1	0	316.321	0.355	20	30		DCEDRM
Cn1c(N2CC[C@H](C(=O)[O-])C2)nnc1C1(C#N)CCOCC1	ZINC001600920808	1168509521	/nfs/dbraw/zinc/50/95/21/1168509521.db2.gz	OAGXGHFLUMROLI-JTQLQIEISA-N	-1	0	305.338	0.298	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)Cc2ccc(C(N)=O)cc2)CC1	ZINC001601051118	1168577740	/nfs/dbraw/zinc/57/77/40/1168577740.db2.gz	COBNLGQMHICKDQ-UHFFFAOYSA-N	-1	0	315.329	0.545	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CC[C@@H]2CCOC2)CC1	ZINC001601052522	1168577795	/nfs/dbraw/zinc/57/77/95/1168577795.db2.gz	RNABIDDTXIMBPW-NSHDSACASA-N	-1	0	316.379	0.433	20	30		DCEDRM
N#CC[C@@H](NC(=O)N[C@]1(CC(=O)[O-])CCOC1)C(F)(F)F	ZINC001601062112	1168578905	/nfs/dbraw/zinc/57/89/05/1168578905.db2.gz	MROAKSHDHIQXEF-XCBNKYQSSA-N	-1	0	309.244	0.764	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)C1	ZINC001601062946	1168579946	/nfs/dbraw/zinc/57/99/46/1168579946.db2.gz	PEFARPCZFBINGH-NSHDSACASA-N	-1	0	300.292	0.017	20	30		DCEDRM
N#CCCc1ccc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])cc1	ZINC001601068851	1168580459	/nfs/dbraw/zinc/58/04/59/1168580459.db2.gz	UAPHVMWVDSSWNP-LLVKDONJSA-N	-1	0	312.347	0.257	20	30		DCEDRM
N#CCOc1ccc(CN2C(=O)N[C@H](CCC(=O)[O-])C2=O)cc1	ZINC001601073576	1168581502	/nfs/dbraw/zinc/58/15/02/1168581502.db2.gz	CRKDQOHTIOABTR-GFCCVEGCSA-N	-1	0	317.301	0.874	20	30		DCEDRM
N#CCN1CCC(N2C(=O)[C@H]3CC[C@@H](C(=O)[O-])CN3C2=O)CC1	ZINC001601073482	1168581674	/nfs/dbraw/zinc/58/16/74/1168581674.db2.gz	XJFRZLWVHCFJMJ-ZYHUDNBSSA-N	-1	0	320.349	0.102	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1cnn2ccccc12	ZINC001601073178	1168581794	/nfs/dbraw/zinc/58/17/94/1168581794.db2.gz	GMKJIEFFOYOUCY-UHFFFAOYSA-N	-1	0	308.319	0.323	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001601076011	1168582322	/nfs/dbraw/zinc/58/23/22/1168582322.db2.gz	USVYCOTWPZEXRV-MNOVXSKESA-N	-1	0	304.302	0.497	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCCCCC(=O)[O-])C1	ZINC001601079246	1168582715	/nfs/dbraw/zinc/58/27/15/1168582715.db2.gz	IJNCWBRWKUZAJQ-NWDGAFQWSA-N	-1	0	309.366	0.946	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001601082864	1168583142	/nfs/dbraw/zinc/58/31/42/1168583142.db2.gz	SIJUCWBLZXXAHW-ZDUSSCGKSA-N	-1	0	306.293	0.995	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(C[C@H](O)c2ccc(F)cn2)c1=O	ZINC001601086968	1168583402	/nfs/dbraw/zinc/58/34/02/1168583402.db2.gz	CJYXEOPTBCQOQY-LBPRGKRZSA-N	-1	0	303.249	0.686	20	30		DCEDRM
N#Cc1ccc(Cl)cc1NC(=O)CN1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC001601103339	1168585047	/nfs/dbraw/zinc/58/50/47/1168585047.db2.gz	DEVDIYYVDRALDV-ZYHUDNBSSA-N	-1	0	323.736	0.670	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N(CCO)CC2CC2)c(C(=O)[O-])c1	ZINC001601111275	1168586684	/nfs/dbraw/zinc/58/66/84/1168586684.db2.gz	WGTSDAXAMMZJEP-UHFFFAOYSA-N	-1	0	324.358	0.649	20	30		DCEDRM
N#Cc1ccccc1C(F)(F)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001601124803	1168588265	/nfs/dbraw/zinc/58/82/65/1168588265.db2.gz	ZVHYIMDLBMNIOF-GHMZBOCLSA-N	-1	0	324.283	0.944	20	30		DCEDRM
N#Cc1cccc(OCC(=O)OCC(=O)C2(C(=O)[O-])CC2)c1	ZINC001601121805	1168588341	/nfs/dbraw/zinc/58/83/41/1168588341.db2.gz	VLCHNRLHGGKAMH-UHFFFAOYSA-N	-1	0	303.270	0.914	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)c1	ZINC001601122368	1168588684	/nfs/dbraw/zinc/58/86/84/1168588684.db2.gz	JTXAFMGPWDHFEO-CYBMUJFWSA-N	-1	0	315.329	0.498	20	30		DCEDRM
N#Cc1ccccc1/C=C/C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001601126007	1168590279	/nfs/dbraw/zinc/59/02/79/1168590279.db2.gz	MCPHSWNYOFRZPF-QAMKJQMISA-N	-1	0	300.314	0.865	20	30		DCEDRM
N#Cc1cnc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c(Cl)c1	ZINC001601129216	1168590432	/nfs/dbraw/zinc/59/04/32/1168590432.db2.gz	RSGZEGNHGQSBAY-BDAKNGLRSA-N	-1	0	309.709	0.514	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)NCc2ccc(C(=O)[O-])cn2)c1	ZINC001601130380	1168590847	/nfs/dbraw/zinc/59/08/47/1168590847.db2.gz	FDRALXMJEDCMGQ-UHFFFAOYSA-N	-1	0	318.314	0.525	20	30		DCEDRM
N#Cc1ncc(N[C@@H](CC2CCOCC2)C(=O)[O-])nc1C#N	ZINC001601134057	1168593130	/nfs/dbraw/zinc/59/31/30/1168593130.db2.gz	GADXCSWLESUJKR-JTQLQIEISA-N	-1	0	301.306	0.902	20	30		DCEDRM
O=C([O-])c1cnc(N[C@@H]2C[C@H](CNC(=O)C#CC3CC3)C2)nc1	ZINC001601224105	1168666313	/nfs/dbraw/zinc/66/63/13/1168666313.db2.gz	QMDPIZRDBXNOKB-BJHJDKERSA-N	-1	0	314.345	0.895	20	30		DCEDRM
O=C(C#CC1CC1)NCCCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CC1	ZINC001601223559	1168666969	/nfs/dbraw/zinc/66/69/69/1168666969.db2.gz	JONLDFOXONGNSV-KBPBESRZSA-N	-1	0	318.373	0.618	20	30		DCEDRM
O=C([O-])c1cn(CC(=O)N[C@@H]2CCN(O)C2=O)c2ccccc12	ZINC001601378597	1168724667	/nfs/dbraw/zinc/72/46/67/1168724667.db2.gz	VVVTYKNTZDQORO-LLVKDONJSA-N	-1	0	317.301	0.446	20	30		DCEDRM
O=C([O-])CC1CC(N=Nc2nccc(N3CCOCC3)n2)C1	ZINC001601941936	1168943128	/nfs/dbraw/zinc/94/31/28/1168943128.db2.gz	WIXZPKAWTSPZAH-UHFFFAOYSA-N	-1	0	305.338	0.966	20	30		DCEDRM
O=C([O-])COc1ccc(NC(=O)N[C@@H]2CCCN(O)C2=O)cc1	ZINC001602088335	1168991895	/nfs/dbraw/zinc/99/18/95/1168991895.db2.gz	RFNWSIBHMYXUPF-LLVKDONJSA-N	-1	0	323.305	0.652	20	30		DCEDRM
O=C([O-])[C@@H]1CN(C(=O)NCC#CCO)C[C@H]1c1ccc(O)cc1	ZINC001602184639	1169020555	/nfs/dbraw/zinc/02/05/55/1169020555.db2.gz	NYPWMVGRGCUWGR-UONOGXRCSA-N	-1	0	318.329	0.198	20	30		DCEDRM
O=C([O-])c1cc(C2CCN(C(=O)NCC#CCO)CC2)no1	ZINC001602250796	1169043784	/nfs/dbraw/zinc/04/37/84/1169043784.db2.gz	LQDQIXPDBVFIPX-UHFFFAOYSA-N	-1	0	307.306	0.258	20	30		DCEDRM
C#CC1(O)CN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1	ZINC001602676944	1169157085	/nfs/dbraw/zinc/15/70/85/1169157085.db2.gz	MNXYOADJOWCNEV-NSHDSACASA-N	-1	0	302.330	0.069	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC001602682098	1169157517	/nfs/dbraw/zinc/15/75/17/1169157517.db2.gz	YGCXNKVTAPJQFQ-IUCAKERBSA-N	-1	0	309.347	0.946	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001602682820	1169158295	/nfs/dbraw/zinc/15/82/95/1169158295.db2.gz	GDDQZNIADXXRGP-VIFPVBQESA-N	-1	0	301.295	0.186	20	30		DCEDRM
C#CC[C@@H](COC)NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC001602683486	1169158391	/nfs/dbraw/zinc/15/83/91/1169158391.db2.gz	QJUHYDXKBQLSFS-JTQLQIEISA-N	-1	0	315.347	0.911	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C(=O)[O-]	ZINC001602698707	1169164759	/nfs/dbraw/zinc/16/47/59/1169164759.db2.gz	SCVKZOQBBTWJFN-CVJBHZAOSA-N	-1	0	310.397	0.194	20	30		DCEDRM
C#CCCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC001602711595	1169166589	/nfs/dbraw/zinc/16/65/89/1169166589.db2.gz	ZPNYALMXSPPQMY-UHFFFAOYSA-N	-1	0	309.326	0.698	20	30		DCEDRM
C#CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@@H](OC)C1	ZINC001602711778	1169168481	/nfs/dbraw/zinc/16/84/81/1169168481.db2.gz	TZHXNPTXGJVHDX-UTUOFQBUSA-N	-1	0	303.380	0.588	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)c2cc(C(=O)[O-])co2)CC1	ZINC001602720489	1169170352	/nfs/dbraw/zinc/17/03/52/1169170352.db2.gz	VLMKGLGGOOQEFL-UHFFFAOYSA-N	-1	0	304.302	0.579	20	30		DCEDRM
C#CCN1C(=O)C[C@@H](N2CCc3c(cccc3C(=O)[O-])C2)C1=O	ZINC001602720636	1169170689	/nfs/dbraw/zinc/17/06/89/1169170689.db2.gz	ADLODTXPLOAWND-CQSZACIVSA-N	-1	0	312.325	0.504	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)[O-]	ZINC001602749689	1169177243	/nfs/dbraw/zinc/17/72/43/1169177243.db2.gz	HGTLYWULDUJDCR-VOZQYIJBSA-N	-1	0	323.349	0.290	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1c(C)oc2ncn(C)c(=O)c21)C(=O)[O-]	ZINC001602749034	1169177665	/nfs/dbraw/zinc/17/76/65/1169177665.db2.gz	NJRWKHGWPYQWGP-SECBINFHSA-N	-1	0	319.317	0.984	20	30		DCEDRM
C=C(Br)CNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001602745019	1169177714	/nfs/dbraw/zinc/17/77/14/1169177714.db2.gz	XQIFLRUIVCRFHZ-SFYZADRCSA-N	-1	0	307.144	0.779	20	30		DCEDRM
C#Cc1cncc(C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)c1	ZINC001602744497	1169178268	/nfs/dbraw/zinc/17/82/68/1169178268.db2.gz	BAUMEDPPSPTDOG-SECBINFHSA-N	-1	0	300.274	0.657	20	30		DCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC001602750493	1169179106	/nfs/dbraw/zinc/17/91/06/1169179106.db2.gz	TUVJWEYTUKXEGG-JTQLQIEISA-N	-1	0	300.336	0.385	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)[O-]	ZINC001602750089	1169179642	/nfs/dbraw/zinc/17/96/42/1169179642.db2.gz	LVMGTOBPQMOUSZ-BHDSKKPTSA-N	-1	0	312.391	0.976	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@]1(COC)C(=O)[O-]	ZINC001602755647	1169179972	/nfs/dbraw/zinc/17/99/72/1169179972.db2.gz	ZDKWOJJXJLUDIG-IUODEOHRSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=C(C)Cn1c([C@@H](C)CO)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001602765535	1169181287	/nfs/dbraw/zinc/18/12/87/1169181287.db2.gz	BTTDYVSXJCXHCC-SRVKXCTJSA-N	-1	0	324.381	0.628	20	30		DCEDRM
C=C1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CC1	ZINC001602792152	1169184336	/nfs/dbraw/zinc/18/43/36/1169184336.db2.gz	OQHMVYQFDCOSGJ-CHWSQXEVSA-N	-1	0	306.362	0.781	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCCCN(C)c1ncc(C(=O)[O-])cn1	ZINC001602810208	1169186352	/nfs/dbraw/zinc/18/63/52/1169186352.db2.gz	VCRGJCBPNBSXGR-OAHLLOKOSA-N	-1	0	322.365	0.444	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC/C=C\CNc1ccnc(C(=O)[O-])n1	ZINC001602810437	1169187096	/nfs/dbraw/zinc/18/70/96/1169187096.db2.gz	YBFPNSBQHBFNKU-XVWMLYKFSA-N	-1	0	320.349	0.008	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001602880685	1169197589	/nfs/dbraw/zinc/19/75/89/1169197589.db2.gz	XLEAXVXNJKMNCG-WDEREUQCSA-N	-1	0	319.379	0.621	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(-c2nn[nH]n2)cs1	ZINC001602896575	1169200861	/nfs/dbraw/zinc/20/08/61/1169200861.db2.gz	HKJCJMVQAYWBEC-UHFFFAOYSA-N	-1	0	311.348	0.011	20	30		DCEDRM
C=CCOCC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001602906308	1169202073	/nfs/dbraw/zinc/20/20/73/1169202073.db2.gz	DGLHMQAABPDJTD-WDEREUQCSA-N	-1	0	310.350	0.065	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1	ZINC001602906438	1169202317	/nfs/dbraw/zinc/20/23/17/1169202317.db2.gz	GFTAPDQINMPTOA-OZVIIMIRSA-N	-1	0	324.377	0.359	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)C(=O)OC	ZINC001602913107	1169202661	/nfs/dbraw/zinc/20/26/61/1169202661.db2.gz	IHNFFMGDWFDPCN-LLVKDONJSA-N	-1	0	308.290	0.254	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc21)C(=O)[O-]	ZINC001602910485	1169202668	/nfs/dbraw/zinc/20/26/68/1169202668.db2.gz	ZDMYYTPATYDIMK-STQMWFEESA-N	-1	0	318.329	0.633	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc(C(=O)[O-])n1)C(=O)OC	ZINC001602913108	1169203556	/nfs/dbraw/zinc/20/35/56/1169203556.db2.gz	IHNFFMGDWFDPCN-NSHDSACASA-N	-1	0	308.290	0.254	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)C(=O)[O-]	ZINC001602913690	1169204034	/nfs/dbraw/zinc/20/40/34/1169204034.db2.gz	XKTKNJNLFFWIHB-GFCCVEGCSA-N	-1	0	321.333	0.241	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001602921624	1169205780	/nfs/dbraw/zinc/20/57/80/1169205780.db2.gz	GSLDILSKFDARTB-NSHDSACASA-N	-1	0	324.308	0.407	20	30		DCEDRM
C=CCn1c(-c2nc(CC)no2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602931582	1169210491	/nfs/dbraw/zinc/21/04/91/1169210491.db2.gz	ZCUQNIFWLKJMBK-SECBINFHSA-N	-1	0	318.337	0.987	20	30		DCEDRM
C=CCn1c([C@H]2CCOC2)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001602933253	1169210915	/nfs/dbraw/zinc/21/09/15/1169210915.db2.gz	XCSNKHRICAGMDD-NHYWBVRUSA-N	-1	0	322.365	0.648	20	30		DCEDRM
C=CCn1c(-c2cccn2C)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602930522	1169211017	/nfs/dbraw/zinc/21/10/17/1169211017.db2.gz	XDZZYTWPPIXONE-LBPRGKRZSA-N	-1	0	317.349	0.759	20	30		DCEDRM
CC#CCCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001602947204	1169218209	/nfs/dbraw/zinc/21/82/09/1169218209.db2.gz	RJXRQGNSRADCBO-VXGBXAGGSA-N	-1	0	306.362	0.666	20	30		DCEDRM
CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@@H]1c1cn(C)nc1Cl	ZINC001602995871	1169228007	/nfs/dbraw/zinc/22/80/07/1169228007.db2.gz	WGRMLZKNJHZCET-SSDOTTSWSA-N	-1	0	314.754	0.520	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NC1(CC(=O)[O-])CCCC1	ZINC001603130159	1169249947	/nfs/dbraw/zinc/24/99/47/1169249947.db2.gz	SCOIBGAVQVCRKU-SNVBAGLBSA-N	-1	0	303.384	0.700	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	ZINC001603129895	1169250801	/nfs/dbraw/zinc/25/08/01/1169250801.db2.gz	OHLMSRRQPXKPJG-SUIRZZFNSA-N	-1	0	314.363	0.073	20	30		DCEDRM
C[C@H](C(=O)N1CCC(CCC(=O)[O-])CC1)n1cnc(C#N)n1	ZINC001603140964	1169255102	/nfs/dbraw/zinc/25/51/02/1169255102.db2.gz	KVOUGYOYJBBTEY-SNVBAGLBSA-N	-1	0	305.338	0.814	20	30		DCEDRM
CC(C)(Cn1cnc(-c2nnn[n-]2)c1C#N)CS(C)(=O)=O	ZINC001603157182	1169260847	/nfs/dbraw/zinc/26/08/47/1169260847.db2.gz	BEXIZJVOIOKUES-UHFFFAOYSA-N	-1	0	309.355	0.006	20	30		DCEDRM
C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001603442383	1169306575	/nfs/dbraw/zinc/30/65/75/1169306575.db2.gz	KDRHQYVCFWCTLB-SSDOTTSWSA-N	-1	0	317.284	0.363	20	30		DCEDRM
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2(C(=O)[O-])CC2)n1	ZINC001603564797	1169322499	/nfs/dbraw/zinc/32/24/99/1169322499.db2.gz	URTOJPXYUFTLEB-UHFFFAOYSA-N	-1	0	319.321	0.182	20	30		DCEDRM
CC(C)(NS(=O)(=O)Cc1ccc(C#N)cc1)[C@H](O)C(=O)[O-]	ZINC001603686148	1169352130	/nfs/dbraw/zinc/35/21/30/1169352130.db2.gz	PRQZZIGXGYMGRN-LLVKDONJSA-N	-1	0	312.347	0.202	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@H](Nc1ccnc(C(=O)[O-])n1)C(C)C	ZINC001603700170	1169364602	/nfs/dbraw/zinc/36/46/02/1169364602.db2.gz	NPKDVGDKJUJPRF-LBPRGKRZSA-N	-1	0	318.377	0.809	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001603700428	1169365954	/nfs/dbraw/zinc/36/59/54/1169365954.db2.gz	WTVOYPYHVFKZQH-LBPRGKRZSA-N	-1	0	302.334	0.529	20	30		DCEDRM
CC(C)[C@H](NC(=O)COC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001603974426	1169461673	/nfs/dbraw/zinc/46/16/73/1169461673.db2.gz	WUTGKKFRKNLEKB-ZDUSSCGKSA-N	-1	0	304.302	0.940	20	30		DCEDRM
C[C@H](OC(=O)c1ccncc1C(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001604416928	1169588723	/nfs/dbraw/zinc/58/87/23/1169588723.db2.gz	XVZJYQRRHDAFNW-VIFPVBQESA-N	-1	0	317.301	0.888	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001604427609	1169592795	/nfs/dbraw/zinc/59/27/95/1169592795.db2.gz	PNSIBLILPDOXBM-ZKYQVNSYSA-N	-1	0	318.329	0.931	20	30		DCEDRM
CC1(C#N)CCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1	ZINC001604483368	1169600244	/nfs/dbraw/zinc/60/02/44/1169600244.db2.gz	QQRHKYLXYDOTOA-NSHDSACASA-N	-1	0	305.334	0.428	20	30		DCEDRM
CC1(C)CCCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)[C@H]1C#N	ZINC001604536339	1169610761	/nfs/dbraw/zinc/61/07/61/1169610761.db2.gz	WQTSAEATYQSUOZ-RYUDHWBXSA-N	-1	0	321.377	0.850	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)c2cnn(CCC#N)c2C)C1	ZINC001604536225	1169611041	/nfs/dbraw/zinc/61/10/41/1169611041.db2.gz	ZVNSKTFFLSMRKO-HNNXBMFYSA-N	-1	0	320.349	0.669	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCc1cccc(C#N)c1	ZINC001604626431	1169635444	/nfs/dbraw/zinc/63/54/44/1169635444.db2.gz	MGXFPSXEHGRLJF-MFKMUULPSA-N	-1	0	315.329	0.496	20	30		DCEDRM
CN(C[C@@H]1CCC[C@@H]1O)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001604729652	1169664575	/nfs/dbraw/zinc/66/45/75/1169664575.db2.gz	YCXSONZLXFPOPX-WPRPVWTQSA-N	-1	0	300.326	0.126	20	30		DCEDRM
CCC(=O)N1CCCC[C@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001604860287	1169716342	/nfs/dbraw/zinc/71/63/42/1169716342.db2.gz	PUEPVVIWZPPLBH-LBPRGKRZSA-N	-1	0	321.377	0.994	20	30		DCEDRM
CCC[C@H](CCCS(C)(=O)=O)C(=O)N(CC#N)CC(=O)[O-]	ZINC001605211843	1169874660	/nfs/dbraw/zinc/87/46/60/1169874660.db2.gz	OSLOEWNMJPWSJA-LLVKDONJSA-N	-1	0	318.395	0.664	20	30		DCEDRM
CCN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001605447821	1169925158	/nfs/dbraw/zinc/92/51/58/1169925158.db2.gz	KJLRNOYZSGXCDJ-MNOVXSKESA-N	-1	0	303.322	0.329	20	30		DCEDRM
Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](C)N(CC#N)[C@H](C)C2)n1	ZINC001605764455	1169997522	/nfs/dbraw/zinc/99/75/22/1169997522.db2.gz	RQEHUSUCYAZKMF-VXGBXAGGSA-N	-1	0	312.381	0.993	20	30		DCEDRM
CCc1n[nH]c(C(=O)N(CC#N)CC(=O)[O-])c1Br	ZINC001605842948	1170009607	/nfs/dbraw/zinc/00/96/07/1170009607.db2.gz	YPAYOEHESDILJQ-UHFFFAOYSA-N	-1	0	315.127	0.785	20	30		DCEDRM
CCc1nc(C#N)cc(NCCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1	ZINC001605844484	1170011485	/nfs/dbraw/zinc/01/14/85/1170011485.db2.gz	ISTVPQSZGKLOJZ-QWRGUYRKSA-N	-1	0	317.349	0.550	20	30		DCEDRM
Cc1nc(C#N)c(-c2nn[nH]n2)n1Cc1ccnc(N(C)C)c1	ZINC001606024175	1170053947	/nfs/dbraw/zinc/05/39/47/1170053947.db2.gz	VKXXHUYGWBEBRQ-UHFFFAOYSA-N	-1	0	309.337	0.753	20	30		DCEDRM
CN(C)S(=O)(=O)C1(CNc2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001606037201	1170063068	/nfs/dbraw/zinc/06/30/68/1170063068.db2.gz	DDVPWQHDTFSKEB-UHFFFAOYSA-N	-1	0	324.362	0.487	20	30		DCEDRM
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001606095495	1170074707	/nfs/dbraw/zinc/07/47/07/1170074707.db2.gz	LYVPVSJAEYFEGO-MCIONIFRSA-N	-1	0	317.345	0.954	20	30		DCEDRM
CN(CCCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001606121865	1170083192	/nfs/dbraw/zinc/08/31/92/1170083192.db2.gz	UJPGVFLUMGEMDG-QWRGUYRKSA-N	-1	0	317.349	0.354	20	30		DCEDRM
CNC(=O)Nc1cccc(C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001606280405	1170146833	/nfs/dbraw/zinc/14/68/33/1170146833.db2.gz	DCVLUNRFSRNPJX-UHFFFAOYSA-N	-1	0	304.306	0.878	20	30		DCEDRM
COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001606341551	1170163197	/nfs/dbraw/zinc/16/31/97/1170163197.db2.gz	JYTMFLPZKYARLA-MCIONIFRSA-N	-1	0	318.329	0.540	20	30		DCEDRM
N#Cc1ncc(N2CCC3(CCCC3=O)CC2)nc1-c1nnn[n-]1	ZINC001606397571	1170182998	/nfs/dbraw/zinc/18/29/98/1170182998.db2.gz	UVBJHPUWXBYDFT-UHFFFAOYSA-N	-1	0	324.348	0.868	20	30		DCEDRM
N#Cc1ncc(NCC2(O)CCCCC2)nc1-c1nnn[n-]1	ZINC001606398197	1170183677	/nfs/dbraw/zinc/18/36/77/1170183677.db2.gz	PZTKFBUPZLIIJG-UHFFFAOYSA-N	-1	0	300.326	0.635	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2cc(C#N)ccn2)[C@H](C(=O)[O-])C1	ZINC001606406398	1170187720	/nfs/dbraw/zinc/18/77/20/1170187720.db2.gz	FKNAPHIOKJPOIR-JQWIXIFHSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)s2)C[C@H]1C(=O)[O-]	ZINC001606419823	1170193213	/nfs/dbraw/zinc/19/32/13/1170193213.db2.gz	GBTARFFVHQGNKF-BDAKNGLRSA-N	-1	0	308.315	0.566	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2ccc(C#N)cc2)C1	ZINC001606703383	1170267333	/nfs/dbraw/zinc/26/73/33/1170267333.db2.gz	OSFRROSSEPTZIM-HNNXBMFYSA-N	-1	0	303.318	0.672	20	30		DCEDRM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC1(C#N)CC1	ZINC001607218156	1170416749	/nfs/dbraw/zinc/41/67/49/1170416749.db2.gz	WVXOXNJQANODOY-UHFFFAOYSA-N	-1	0	310.331	0.975	20	30		DCEDRM
COc1cccc(OC)c1OC[C@@H](O)CN(CC#N)CC(=O)[O-]	ZINC001607327879	1170428688	/nfs/dbraw/zinc/42/86/88/1170428688.db2.gz	APPHQODNNVIHIT-NSHDSACASA-N	-1	0	324.333	0.354	20	30		DCEDRM
C[C@@H]1CN(c2nnnn2CC#Cc2ccccc2)C[C@H]1C(=O)[O-]	ZINC001607441885	1170454452	/nfs/dbraw/zinc/45/44/52/1170454452.db2.gz	YVEWKPGVVADPTD-TZMCWYRMSA-N	-1	0	311.345	0.882	20	30		DCEDRM
Cc1cc(O)cc(=O)n1CCC(=O)N(CC#N)CCC(=O)[O-]	ZINC001607699909	1170497311	/nfs/dbraw/zinc/49/73/11/1170497311.db2.gz	ONSSGHOQEYOZLE-UHFFFAOYSA-N	-1	0	307.306	0.079	20	30		DCEDRM
Cc1ncc(CO)c(/C=N/C[C@H]2[C@@H](C(=O)[O-])C2(F)F)c1O	ZINC001607979692	1170537604	/nfs/dbraw/zinc/53/76/04/1170537604.db2.gz	GAWAOMIPJMTQPT-ZUIZGRAKSA-N	-1	0	300.261	0.973	20	30		DCEDRM
N#C[C@@H](C(=O)Nc1ccccc1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001608170124	1170608266	/nfs/dbraw/zinc/60/82/66/1170608266.db2.gz	JNDAMIWVDBPRSY-UTUOFQBUSA-N	-1	0	302.286	0.966	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CCC1	ZINC001608175575	1170609528	/nfs/dbraw/zinc/60/95/28/1170609528.db2.gz	JTJAMLCNKLUFGQ-LLVKDONJSA-N	-1	0	316.379	0.168	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC001608182321	1170611283	/nfs/dbraw/zinc/61/12/83/1170611283.db2.gz	YYLSMWJHQNAHFE-CQSZACIVSA-N	-1	0	319.273	0.784	20	30		DCEDRM
N#CCc1ccc(OS(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1	ZINC001608189720	1170613076	/nfs/dbraw/zinc/61/30/76/1170613076.db2.gz	IRLKNIXIBUFSBT-UHFFFAOYSA-N	-1	0	307.287	0.942	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)N2CCN(CC(=O)[O-])CC2)c(F)c1	ZINC001608197238	1170613825	/nfs/dbraw/zinc/61/38/25/1170613825.db2.gz	ULWVCFUPEIACRY-UHFFFAOYSA-N	-1	0	309.272	0.679	20	30		DCEDRM
N#Cc1c(F)cccc1CN1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001608194637	1170613887	/nfs/dbraw/zinc/61/38/87/1170613887.db2.gz	SWHKBWOFMYXLFD-ZDUSSCGKSA-N	-1	0	305.309	0.863	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001608198297	1170614044	/nfs/dbraw/zinc/61/40/44/1170614044.db2.gz	YNNQSTVNZADGKW-LLVKDONJSA-N	-1	0	317.276	0.925	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H](O)C3(CC3)C2)c(C(=O)[O-])c1	ZINC001608209814	1170616185	/nfs/dbraw/zinc/61/61/85/1170616185.db2.gz	QXQJJRVACOCJCO-GFCCVEGCSA-N	-1	0	322.342	0.402	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)c(F)c1	ZINC001608209346	1170616372	/nfs/dbraw/zinc/61/63/72/1170616372.db2.gz	DPLVSQKZPZKLRZ-GFCCVEGCSA-N	-1	0	316.285	0.885	20	30		DCEDRM
N#Cc1cccc(CN2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c1	ZINC001608217651	1170617260	/nfs/dbraw/zinc/61/72/60/1170617260.db2.gz	NAQVITJALMPPAE-HUUCEWRRSA-N	-1	0	313.357	0.923	20	30		DCEDRM
N#Cc1cccc(CC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1	ZINC001608217611	1170617456	/nfs/dbraw/zinc/61/74/56/1170617456.db2.gz	LTUIOGZHVMGSBF-UHFFFAOYSA-N	-1	0	311.301	0.474	20	30		DCEDRM
N#Cc1cccc(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)n1	ZINC001608214476	1170617523	/nfs/dbraw/zinc/61/75/23/1170617523.db2.gz	BEOOESDRUIJHHI-LBPRGKRZSA-N	-1	0	317.301	0.576	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)CCN2CC3CC2(C(=O)[O-])C3)c1	ZINC001608218422	1170617543	/nfs/dbraw/zinc/61/75/43/1170617543.db2.gz	NQXDRJPLHTXOOO-UHFFFAOYSA-N	-1	0	320.370	0.881	20	30		DCEDRM
N#Cc1cccnc1N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001608221144	1170618093	/nfs/dbraw/zinc/61/80/93/1170618093.db2.gz	COWICMKWDKPYAN-MGAJPHDKSA-N	-1	0	314.345	0.981	20	30		DCEDRM
N#Cc1cnccc1NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001608222168	1170618133	/nfs/dbraw/zinc/61/81/33/1170618133.db2.gz	ACHUAWNDSIURAP-QWRGUYRKSA-N	-1	0	300.318	0.157	20	30		DCEDRM
O=C([O-])c1cnc(N2CC[C@H](CNC(=O)C#CC3CC3)C2)nc1	ZINC001608277342	1170640808	/nfs/dbraw/zinc/64/08/08/1170640808.db2.gz	HVEREPHYHNGPER-GFCCVEGCSA-N	-1	0	314.345	0.531	20	30		DCEDRM
O=C([O-])c1cccn(CC(=O)NCC#C[C@H]2CCCCO2)c1=O	ZINC001608378923	1170664340	/nfs/dbraw/zinc/66/43/40/1170664340.db2.gz	DCTHDRXJDHDDFR-GFCCVEGCSA-N	-1	0	318.329	0.235	20	30		DCEDRM
O=C([O-])[C@H](O)C1CCN(C(=O)c2cccc(C#CCO)c2)CC1	ZINC001608557347	1170701874	/nfs/dbraw/zinc/70/18/74/1170701874.db2.gz	JQYZFCASXAEGLL-OAHLLOKOSA-N	-1	0	317.341	0.328	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001609057893	1170794172	/nfs/dbraw/zinc/79/41/72/1170794172.db2.gz	IWTITXVPAVWINI-JTQLQIEISA-N	-1	0	313.306	0.547	20	30		DCEDRM
C=CCn1cc(CN2CCOCC2)cc(-c2nnn[n-]2)c1=O	ZINC001609059511	1170795747	/nfs/dbraw/zinc/79/57/47/1170795747.db2.gz	RJMTXNMKNXBBIO-UHFFFAOYSA-N	-1	0	302.338	0.047	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCN2C)C(=O)[O-]	ZINC001609078978	1170801596	/nfs/dbraw/zinc/80/15/96/1170801596.db2.gz	RGVPWZWNTFGPCR-NSHDSACASA-N	-1	0	315.329	0.671	20	30		DCEDRM
CC(C)(C)c1nnc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)o1	ZINC001609081772	1170801999	/nfs/dbraw/zinc/80/19/99/1170801999.db2.gz	KXBFIHKWINXKLE-UHFFFAOYSA-N	-1	0	314.313	0.246	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cnc2onc(C)c2c1)C(=O)[O-]	ZINC001609105389	1170811887	/nfs/dbraw/zinc/81/18/87/1170811887.db2.gz	ZBXDMESNQPIJIP-SNVBAGLBSA-N	-1	0	309.303	0.286	20	30		DCEDRM
C#CCN(C(=O)c1cc(C(=O)[O-])co1)[C@H]1CCS(=O)(=O)C1	ZINC001609137508	1170825610	/nfs/dbraw/zinc/82/56/10/1170825610.db2.gz	ZZBJZTWKJOIZKG-JTQLQIEISA-N	-1	0	311.315	0.240	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-]	ZINC001609153012	1170830111	/nfs/dbraw/zinc/83/01/11/1170830111.db2.gz	SMVNJSUMFNNKAK-UHFFFAOYSA-N	-1	0	320.251	0.697	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1	ZINC001609174739	1170844409	/nfs/dbraw/zinc/84/44/09/1170844409.db2.gz	GFSQOCCUFGTCPN-UHFFFAOYSA-N	-1	0	312.391	0.182	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001609267496	1170904128	/nfs/dbraw/zinc/90/41/28/1170904128.db2.gz	WTHZWOYBNNGHIV-JTQLQIEISA-N	-1	0	322.317	0.406	20	30		DCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001609287699	1170912542	/nfs/dbraw/zinc/91/25/42/1170912542.db2.gz	ZZILGUPVUFHPOJ-VXGBXAGGSA-N	-1	0	310.350	0.256	20	30		DCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001609287696	1170913012	/nfs/dbraw/zinc/91/30/12/1170913012.db2.gz	ZZILGUPVUFHPOJ-NEPJUHHUSA-N	-1	0	310.350	0.256	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C(=O)Nc1ccc(OC)cc1)C(=O)[O-]	ZINC001609432521	1170976079	/nfs/dbraw/zinc/97/60/79/1170976079.db2.gz	XVTQYGKEKRHUHT-LBPRGKRZSA-N	-1	0	322.317	0.406	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC001609452821	1170984054	/nfs/dbraw/zinc/98/40/54/1170984054.db2.gz	ZPWVTPHTAZKDBC-CYBMUJFWSA-N	-1	0	324.358	0.687	20	30		DCEDRM
C=CCn1cc(C(=O)N2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)nn1	ZINC001609484992	1170995277	/nfs/dbraw/zinc/99/52/77/1170995277.db2.gz	AIHFBVWWDHIATH-FOUMNBMASA-N	-1	0	320.349	0.699	20	30		DCEDRM
C=CCn1cc(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)nn1	ZINC001609485246	1170996353	/nfs/dbraw/zinc/99/63/53/1170996353.db2.gz	IULOOCIJNLFUKR-UHFFFAOYSA-N	-1	0	319.321	0.300	20	30		DCEDRM
CC#CCNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1	ZINC001609495895	1170997742	/nfs/dbraw/zinc/99/77/42/1170997742.db2.gz	VISUABLCYKRGMZ-UHFFFAOYSA-N	-1	0	310.331	0.933	20	30		DCEDRM
CC1CC(C#N)(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1	ZINC001609839536	1171101297	/nfs/dbraw/zinc/10/12/97/1171101297.db2.gz	LFFRUVYFVXSMKG-OPASDULOSA-N	-1	0	303.322	0.690	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC001610154720	1171180879	/nfs/dbraw/zinc/18/08/79/1171180879.db2.gz	ZYZBZZCDRQHGHY-GFCCVEGCSA-N	-1	0	316.313	0.988	20	30		DCEDRM
COC(=O)c1cc(OCC(=O)NCCC#N)cc(C(=O)[O-])c1	ZINC001610203882	1171196367	/nfs/dbraw/zinc/19/63/67/1171196367.db2.gz	JRELPTJFIUDFSQ-UHFFFAOYSA-N	-1	0	306.274	0.580	20	30		DCEDRM
N#CC1(NC(=O)COC(=O)c2cccc(C(=O)[O-])n2)CCC1	ZINC001610619841	1171270636	/nfs/dbraw/zinc/27/06/36/1171270636.db2.gz	CETCSMKXTPCHMI-UHFFFAOYSA-N	-1	0	303.274	0.499	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)C1	ZINC001610621002	1171271592	/nfs/dbraw/zinc/27/15/92/1171271592.db2.gz	SOIYVCYXHQCRLH-UHFFFAOYSA-N	-1	0	310.331	0.684	20	30		DCEDRM
N#CCCCCNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001610621642	1171271771	/nfs/dbraw/zinc/27/17/71/1171271771.db2.gz	NVXXITFSBAVQGA-SNVBAGLBSA-N	-1	0	306.326	0.627	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(O[C@@H]2CCOC2)cc1	ZINC001610622425	1171271793	/nfs/dbraw/zinc/27/17/93/1171271793.db2.gz	IQQSTZSFNZLDRH-CYBMUJFWSA-N	-1	0	304.302	0.905	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1	ZINC001610630170	1171272758	/nfs/dbraw/zinc/27/27/58/1171272758.db2.gz	PDZDBSCZVITLBE-CYBMUJFWSA-N	-1	0	324.358	0.404	20	30		DCEDRM
N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001610632183	1171274059	/nfs/dbraw/zinc/27/40/59/1171274059.db2.gz	FUZFRQUUNCNXEV-STQMWFEESA-N	-1	0	305.290	0.876	20	30		DCEDRM
O=C([O-])Cn1cccc1C=NNC(=S)NCc1cccnc1	ZINC001610800694	1171329581	/nfs/dbraw/zinc/32/95/81/1171329581.db2.gz	AZAXHTDWIMTNAS-UHFFFAOYSA-N	-1	0	317.374	0.966	20	30		DCEDRM
Cc1cccn2cc(CNc3[n-]c(=O)n(C)c(=O)c3C#N)nc12	ZINC001612212004	1171360608	/nfs/dbraw/zinc/36/06/08/1171360608.db2.gz	XLSHZVAUMATJDO-UHFFFAOYSA-N	-1	0	310.317	0.514	20	30		DCEDRM
N#Cc1cn(C2CN(c3cccnc3[N+](=O)[O-])C2)c(=O)[n-]c1=O	ZINC001612619304	1171363289	/nfs/dbraw/zinc/36/32/89/1171363289.db2.gz	WFIPGUDHXWKBSR-UHFFFAOYSA-N	-1	0	314.261	0.185	20	30		DCEDRM
N#CCCn1ccc(NC(=O)NCc2cc(=O)[nH]c(=S)[nH]2)n1	ZINC001623120056	1171433030	/nfs/dbraw/zinc/43/30/30/1171433030.db2.gz	HPECWFQYIPZGAO-UHFFFAOYSA-N	-1	0	319.350	0.903	20	30		DCEDRM
C=CCO[N-]C(=O)CSc1ccc(S(N)(=O)=O)cc1	ZINC001624256557	1171453165	/nfs/dbraw/zinc/45/31/65/1171453165.db2.gz	ZJDZLHNTSRQPJZ-UHFFFAOYSA-N	-1	0	302.377	0.660	20	30		DCEDRM
C#C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC001627414748	1171504961	/nfs/dbraw/zinc/50/49/61/1171504961.db2.gz	SEBQFXJQXCUHKQ-CYBMUJFWSA-N	-1	0	308.297	0.311	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC#Cc2ccccc2)c(=O)[n-]c1=O	ZINC001629164429	1171541869	/nfs/dbraw/zinc/54/18/69/1171541869.db2.gz	YUIBUQXSNMQNOD-UHFFFAOYSA-N	-1	0	322.324	0.379	20	30		DCEDRM
Cc1cc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)ccc1O	ZINC001632217982	1171613420	/nfs/dbraw/zinc/61/34/20/1171613420.db2.gz	KOWGIEQVDUQMJW-UHFFFAOYSA-N	-1	0	314.301	0.863	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C=Cc2nccs2)c(=O)[n-]c1=O	ZINC001633550422	1171646938	/nfs/dbraw/zinc/64/69/38/1171646938.db2.gz	PXXOJMXZYKQLLA-UPHRSURJSA-N	-1	0	317.330	0.107	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN1C(=S)N=NC1C	ZINC001634060245	1171658346	/nfs/dbraw/zinc/65/83/46/1171658346.db2.gz	WHNDTDVSDYDFKF-UHFFFAOYSA-N	-1	0	318.362	0.586	20	30		DCEDRM
C=CCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC001635640958	1171709722	/nfs/dbraw/zinc/70/97/22/1171709722.db2.gz	STMRCCSIYXNHLM-SNVBAGLBSA-N	-1	0	309.347	0.459	20	30		DCEDRM
N#C[C@@H](CO)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-]	ZINC001636605388	1171743859	/nfs/dbraw/zinc/74/38/59/1171743859.db2.gz	RXVQEVCDWISIQX-VIFPVBQESA-N	-1	0	306.709	0.846	20	30		DCEDRM
C=CCO[N-]C(=O)CNS(=O)(=O)c1ccc(Cl)cc1	ZINC001636770537	1171749385	/nfs/dbraw/zinc/74/93/85/1171749385.db2.gz	KVXUSCNBMYZWRH-UHFFFAOYSA-N	-1	0	304.755	0.852	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001640588001	1171884838	/nfs/dbraw/zinc/88/48/38/1171884838.db2.gz	DFKUAUMZKISEGG-LLVKDONJSA-N	-1	0	302.338	0.132	20	30		DCEDRM
N#Cc1nn(CC(=O)CC[N-]C(=O)C(F)(F)F)cc1[N+](=O)[O-]	ZINC001641305300	1171912166	/nfs/dbraw/zinc/91/21/66/1171912166.db2.gz	NBXSRBVKRHKQKB-UHFFFAOYSA-N	-1	0	319.199	0.301	20	30		DCEDRM
C=CCNc1ncc(C(=O)NCc2nc([O-])cc(=O)[nH]2)s1	ZINC001641493410	1171917883	/nfs/dbraw/zinc/91/78/83/1171917883.db2.gz	PDEZGVGRPJHLKB-UHFFFAOYSA-N	-1	0	307.335	0.872	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)nn1	ZINC001641602429	1171922639	/nfs/dbraw/zinc/92/26/39/1171922639.db2.gz	VUXIYDSQHBUAQI-ZDUSSCGKSA-N	-1	0	324.348	0.887	20	30		DCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)C#Cc1ccc2c(c1)OCO2	ZINC001643705528	1171983025	/nfs/dbraw/zinc/98/30/25/1171983025.db2.gz	LEZGQNRFWDCHCC-UHFFFAOYSA-N	-1	0	301.258	0.102	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)CNC(=O)c1cnc2ccccc2c1O	ZINC001644295949	1172002796	/nfs/dbraw/zinc/00/27/96/1172002796.db2.gz	KJROYNIFCGJSRI-SNVBAGLBSA-N	-1	0	315.329	0.880	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCO1	ZINC001646053192	1172233582	/nfs/dbraw/zinc/23/35/82/1172233582.db2.gz	YANQKDKRMFPJGJ-UWVGGRQHSA-N	-1	0	318.333	0.019	20	30		DCEDRM
COCC[C@@H](CO)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001649790511	1173226237	/nfs/dbraw/zinc/22/62/37/1173226237.db2.gz	FGEZYVBCVUUOSB-VIFPVBQESA-N	-1	0	311.363	0.508	20	30		DCEDRM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CC(C#N)C1	ZINC001649820442	1173245401	/nfs/dbraw/zinc/24/54/01/1173245401.db2.gz	MPQYVEZICJUEEK-UHFFFAOYSA-N	-1	0	310.317	0.472	20	30		DCEDRM
N#CCC1(CS(=O)(=O)[N-][C@@H](CCO)C(F)(F)F)CC1	ZINC001649990614	1173362301	/nfs/dbraw/zinc/36/23/01/1173362301.db2.gz	XUWHASMSUMRMJP-QMMMGPOBSA-N	-1	0	300.302	0.913	20	30		DCEDRM
Cn1cc(CNC(=O)c2n[nH]c(=O)[n-]2)c(-c2ccc(C#N)cc2)n1	ZINC001650934236	1173736853	/nfs/dbraw/zinc/73/68/53/1173736853.db2.gz	KKBYLKSJBKSPQT-UHFFFAOYSA-N	-1	0	323.316	0.712	20	30		DCEDRM
Cn1cc(-c2cccc(Nc3[n-]c(=O)n(C)c(=O)c3C#N)c2)nn1	ZINC001652062293	1173761581	/nfs/dbraw/zinc/76/15/81/1173761581.db2.gz	GLYFURFOECVVCK-UHFFFAOYSA-N	-1	0	323.316	0.484	20	30		DCEDRM
Cc1cccc(C)c1-n1nnnc1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001652052886	1173761823	/nfs/dbraw/zinc/76/18/23/1173761823.db2.gz	BPXZCSOKLCQNNX-UHFFFAOYSA-N	-1	0	323.316	0.049	20	30		DCEDRM
O=S(=O)([N-]CC#CCO)c1c(F)c(F)c(F)c(F)c1F	ZINC001662825650	1174242695	/nfs/dbraw/zinc/24/26/95/1174242695.db2.gz	HJMZHDMPLQLMPJ-UHFFFAOYSA-N	-1	0	315.219	0.656	20	30		DCEDRM
C=CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001665433254	1174522142	/nfs/dbraw/zinc/52/21/42/1174522142.db2.gz	VWJMXESGCFRIRS-UWVGGRQHSA-N	-1	0	319.327	0.915	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H](NCC#N)C1CC1	ZINC001690180091	1177187911	/nfs/dbraw/zinc/18/79/11/1177187911.db2.gz	MSGSDHVSGMYMSV-VIFPVBQESA-N	-1	0	320.315	0.451	20	30		DCEDRM
C#CCN(C(=O)C1CC1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001699775873	1178284413	/nfs/dbraw/zinc/28/44/13/1178284413.db2.gz	QCXLOAVYRSDHIE-UHFFFAOYSA-N	-1	0	303.366	0.347	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001699816182	1178299663	/nfs/dbraw/zinc/29/96/63/1178299663.db2.gz	QUDXIBFKFXBIAX-HNNXBMFYSA-N	-1	0	305.382	0.640	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C)c1[O-]	ZINC001702690101	1179238371	/nfs/dbraw/zinc/23/83/71/1179238371.db2.gz	XNDBZTQFKLKTNW-NEPJUHHUSA-N	-1	0	318.377	0.802	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001705199167	1180294268	/nfs/dbraw/zinc/29/42/68/1180294268.db2.gz	DNDCRYAUYNZEHS-MNOVXSKESA-N	-1	0	322.365	0.346	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001721127153	1183840750	/nfs/dbraw/zinc/84/07/50/1183840750.db2.gz	XGYKBWWYKPNILR-MNOVXSKESA-N	-1	0	322.365	0.203	20	30		DCEDRM
C#CCCCCC(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001721336112	1183896674	/nfs/dbraw/zinc/89/66/74/1183896674.db2.gz	HVLOAJWHFMKKDF-UHFFFAOYSA-N	-1	0	304.350	0.558	20	30		DCEDRM
CC#CCCCC(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001722037914	1184148886	/nfs/dbraw/zinc/14/88/86/1184148886.db2.gz	KUQTWIWQJBJAGP-LBPRGKRZSA-N	-1	0	318.377	0.948	20	30		DCEDRM
CCCC[C@@H](CNCC#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001725235887	1184731698	/nfs/dbraw/zinc/73/16/98/1184731698.db2.gz	WLVFRCTYPNQMDR-NSHDSACASA-N	-1	0	316.365	0.424	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001725621329	1184915995	/nfs/dbraw/zinc/91/59/95/1184915995.db2.gz	JNTVGHKEAFRHTM-NEPJUHHUSA-N	-1	0	305.382	0.783	20	30		DCEDRM
C=CCNC(=O)[C@H](C)N(C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001733033610	1186110716	/nfs/dbraw/zinc/11/07/16/1186110716.db2.gz	NAKPBOKCFASVRG-KOLCDFICSA-N	-1	0	323.397	0.165	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001733056873	1186121460	/nfs/dbraw/zinc/12/14/60/1186121460.db2.gz	KUDFOVDVQVMGAD-MDZLAQPJSA-N	-1	0	323.397	0.428	20	30		DCEDRM
C#CCCCCC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001736636618	1187010255	/nfs/dbraw/zinc/01/02/55/1187010255.db2.gz	PHMMAVJUQMFOGQ-UHFFFAOYSA-N	-1	0	318.377	0.902	20	30		DCEDRM
C=CC(C)(C)C(=O)N(C)C[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001739051612	1187733926	/nfs/dbraw/zinc/73/39/26/1187733926.db2.gz	MOEAQPAOPHRMGD-SNVBAGLBSA-N	-1	0	324.381	0.185	20	30		DCEDRM
CC#CCN(C)CCN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001753874530	1188669678	/nfs/dbraw/zinc/66/96/78/1188669678.db2.gz	HEOPBHBOCRDHCK-UHFFFAOYSA-N	-1	0	302.334	0.956	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001754563861	1188880138	/nfs/dbraw/zinc/88/01/38/1188880138.db2.gz	QNQLEVWDYZWYDI-MRXNPFEDSA-N	-1	0	317.393	0.738	20	30		DCEDRM
C=C(C)CCC(=O)N[C@H](C)CNC(=O)c1cnc([O-])n(C)c1=O	ZINC001759759925	1190292465	/nfs/dbraw/zinc/29/24/65/1190292465.db2.gz	JOWYQNXANKMIKQ-SNVBAGLBSA-N	-1	0	322.365	0.077	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H](C)CNC(=O)c1cnc([O-])n(C)c1=O	ZINC001759770142	1190295645	/nfs/dbraw/zinc/29/56/45/1190295645.db2.gz	JOWYQNXANKMIKQ-JTQLQIEISA-N	-1	0	322.365	0.077	20	30		DCEDRM
C=CC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)C(=O)[O-]	ZINC000316748677	1190416939	/nfs/dbraw/zinc/41/69/39/1190416939.db2.gz	TUIWAVPKCSWDOS-JTQLQIEISA-N	-1	0	303.274	0.721	20	30		DCEDRM
C=CCn1cccc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001042931178	751989073	/nfs/dbraw/zinc/98/90/73/751989073.db2.gz	WOBQPMGIKAKPRM-UHFFFAOYSA-N	-1	0	316.365	0.454	20	30		DCEDRM
COC(=O)[C@H](CS)Nc1ccc(-n2[n-]c(C)cc2=O)nn1	ZINC001167622567	747432829	/nfs/dbraw/zinc/43/28/29/747432829.db2.gz	VVUZRJXWTRQSSZ-QMMMGPOBSA-N	-1	0	309.351	0.473	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2CC#N)c1[O-]	ZINC001087350604	747742795	/nfs/dbraw/zinc/74/27/95/747742795.db2.gz	DLBWXNDAPKYLJB-RVMXOQNASA-N	-1	0	315.377	0.730	20	30		DCEDRM
N=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1nccs1	ZINC001168280629	749851656	/nfs/dbraw/zinc/85/16/56/749851656.db2.gz	NPOLWFKXIYYJFW-UHFFFAOYSA-N	-1	0	308.344	0.612	20	30		DCEDRM
C=CCCC(=O)N1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](C)C1	ZINC001071788190	762138137	/nfs/dbraw/zinc/13/81/37/762138137.db2.gz	VOFMRXPKJGVUJF-ONGXEEELSA-N	-1	0	306.366	0.967	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CNC(=O)[C@H](C)C#N)c1[O-]	ZINC001062128528	754646940	/nfs/dbraw/zinc/64/69/40/754646940.db2.gz	FODOYAPSROVZKB-MWLCHTKSSA-N	-1	0	319.365	0.694	20	30		DCEDRM
C=CCN1CC2(C1)CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])O2	ZINC001053590493	756107687	/nfs/dbraw/zinc/10/76/87/756107687.db2.gz	IZKQJCWOUCQARZ-LLVKDONJSA-N	-1	0	306.366	0.573	20	30		DCEDRM
C=C(C)CN1CC2(C1)C[C@@H](NC(=O)c1[nH]nc(C)c1[O-])CO2	ZINC001053775384	756197277	/nfs/dbraw/zinc/19/72/77/756197277.db2.gz	WBWZBJFQEZMNJX-LLVKDONJSA-N	-1	0	306.366	0.573	20	30		DCEDRM
N#Cc1nccc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[nH]n2)C3)n1	ZINC001055253047	756765421	/nfs/dbraw/zinc/76/54/21/756765421.db2.gz	PNPRRQVAIROGID-YWVKMMECSA-N	-1	0	310.321	0.006	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1[O-]	ZINC001055775228	756913051	/nfs/dbraw/zinc/91/30/51/756913051.db2.gz	ACLSKAHXDNVETJ-UHFFFAOYSA-N	-1	0	312.333	0.653	20	30		DCEDRM
CCOC(=O)[C@H](C#N)Nc1ccc(-n2[n-]c(C)cc2=O)nn1	ZINC001170368692	762619588	/nfs/dbraw/zinc/61/95/88/762619588.db2.gz	OTCBYUFWHGGVAH-VIFPVBQESA-N	-1	0	302.294	0.456	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)Nc1ccc2[n-]c(C(=O)OC)nc2n1	ZINC001170371004	762621871	/nfs/dbraw/zinc/62/18/71/762621871.db2.gz	OHEKBPKWQPARRQ-MRVPVSSYSA-N	-1	0	303.278	0.612	20	30		DCEDRM
N#CC1(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)CCOCC1	ZINC001147892115	767864000	/nfs/dbraw/zinc/86/40/00/767864000.db2.gz	APVPIOYEHOCACP-UHFFFAOYSA-N	-1	0	312.329	0.968	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)c1[O-]	ZINC001058328914	759894772	/nfs/dbraw/zinc/89/47/72/759894772.db2.gz	ZSINSUOXMDLRPE-VIFPVBQESA-N	-1	0	313.321	0.094	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CN(C)c2cncc(C#N)n2)c1[O-]	ZINC001108901327	761128351	/nfs/dbraw/zinc/12/83/51/761128351.db2.gz	KDMXIYYGQAHKPT-MRVPVSSYSA-N	-1	0	315.337	0.340	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001099849824	763077855	/nfs/dbraw/zinc/07/78/55/763077855.db2.gz	JQGCHDHVNXGBQD-GHMZBOCLSA-N	-1	0	323.397	0.164	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCOC1CCOCC1	ZINC001116487698	765876117	/nfs/dbraw/zinc/87/61/17/765876117.db2.gz	JDUPUBRBRJAKOP-UHFFFAOYSA-N	-1	0	304.368	0.322	20	30		DCEDRM
CC(C)(CC(=O)NCCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001119070645	766526330	/nfs/dbraw/zinc/52/63/30/766526330.db2.gz	GLQXGDJCVJMPHX-VAWYXSNFSA-N	-1	0	309.322	0.130	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1	ZINC001119492394	766695946	/nfs/dbraw/zinc/69/59/46/766695946.db2.gz	SWMNRODSTLKYDC-UHFFFAOYSA-N	-1	0	315.420	0.715	20	30		DCEDRM
C#CCCN1CCN(C(=O)c2cc(C(=O)[O-])cnc2C)CC1	ZINC001119588186	766742743	/nfs/dbraw/zinc/74/27/43/766742743.db2.gz	WGCMCSSBBAFYKA-UHFFFAOYSA-N	-1	0	301.346	0.869	20	30		DCEDRM
N#Cc1cnn(C(=O)c2nc[n-]c(=O)c2Br)c1N	ZINC001149424327	768748326	/nfs/dbraw/zinc/74/83/26/768748326.db2.gz	BCRNOCLHGOUVTR-UHFFFAOYSA-N	-1	0	309.083	0.284	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)c1nc[n-]c(=O)c1Br	ZINC001149978672	768919350	/nfs/dbraw/zinc/91/93/50/768919350.db2.gz	CPANZTCDALKSDG-ZETCQYMHSA-N	-1	0	314.139	0.713	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001231094229	769169737	/nfs/dbraw/zinc/16/97/37/769169737.db2.gz	FQBSVGHCNVTZIE-VXGBXAGGSA-N	-1	0	323.397	0.524	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cccc3ocnc32)c(=O)[n-]c1=O	ZINC001151236853	769296919	/nfs/dbraw/zinc/29/69/19/769296919.db2.gz	NGVVTBQAAGPIMF-UHFFFAOYSA-N	-1	0	311.257	0.600	20	30		DCEDRM
C[C@H](CCCCNCC#N)NC(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001171650964	769339407	/nfs/dbraw/zinc/33/94/07/769339407.db2.gz	DNUFBYUHBDSOAS-SNVBAGLBSA-N	-1	0	322.369	0.004	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001233928031	769497416	/nfs/dbraw/zinc/49/74/16/769497416.db2.gz	MHDSFMLPGAUYLL-WDEREUQCSA-N	-1	0	307.354	0.438	20	30		DCEDRM
CC[C@H](C#CC(=O)OC)Oc1c(C(=O)OC)n[n-]c1C(=O)OC	ZINC001234193086	769578731	/nfs/dbraw/zinc/57/87/31/769578731.db2.gz	GTKQEMBNXONQQA-MRVPVSSYSA-N	-1	0	324.289	0.317	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccnc(OCC)n1	ZINC001234439812	769657020	/nfs/dbraw/zinc/65/70/20/769657020.db2.gz	UBDKDHHHWROVEJ-SNVBAGLBSA-N	-1	0	318.351	0.713	20	30		DCEDRM
COC(=O)[C@H](CS)NC(=O)c1c[n-]c2cccnc2c1=O	ZINC001153860938	769968170	/nfs/dbraw/zinc/96/81/70/769968170.db2.gz	SBDHZKYLUDZEOE-VIFPVBQESA-N	-1	0	307.331	0.124	20	30		DCEDRM
CC(=O)Nc1ccc(NC(=O)Cn2nn[n-]c2=S)cc1C#N	ZINC001177741046	770540551	/nfs/dbraw/zinc/54/05/51/770540551.db2.gz	QFFKXQGNOIPQSH-UHFFFAOYSA-N	-1	0	317.334	0.431	20	30		DCEDRM
C[C@H](C#N)C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1	ZINC001179894176	771029379	/nfs/dbraw/zinc/02/93/79/771029379.db2.gz	IVQHNLDPOJFUFD-SECBINFHSA-N	-1	0	309.347	0.403	20	30		DCEDRM
Cc1nc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ccc1CC#N	ZINC001157072422	771527869	/nfs/dbraw/zinc/52/78/69/771527869.db2.gz	DTZIRJMNIWRRRT-KWQFWETISA-N	-1	0	310.335	0.270	20	30		DCEDRM
N#C[C@H](CO)NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-]	ZINC001157964645	771703808	/nfs/dbraw/zinc/70/38/08/771703808.db2.gz	XBCGIAPMPQJPCQ-MRVPVSSYSA-N	-1	0	308.244	0.470	20	30		DCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21	ZINC001184245807	771763137	/nfs/dbraw/zinc/76/31/37/771763137.db2.gz	BVPJWTFBYHKHLY-UHFFFAOYSA-N	-1	0	314.281	0.704	20	30		DCEDRM
O=C(CCC(=O)N1CCN2C(=O)COC[C@@H]2C1)C1=CC=C[CH]1	ZINC001184244723	771763181	/nfs/dbraw/zinc/76/31/81/771763181.db2.gz	XYQRTWDDBQSXJS-ZDUSSCGKSA-N	-1	0	303.338	0.106	20	30		DCEDRM
N#CC1(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001185623525	771942428	/nfs/dbraw/zinc/94/24/28/771942428.db2.gz	IWYPCQFYFXXKRJ-UHFFFAOYSA-N	-1	0	304.335	0.449	20	30		DCEDRM
CC[C@@](C)(C#N)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001185623237	771942463	/nfs/dbraw/zinc/94/24/63/771942463.db2.gz	BSXWSEDWEMBCHC-LBPRGKRZSA-N	-1	0	306.351	0.837	20	30		DCEDRM
Cc1cc2c(c(NC(=N)c3ccc(C(N)=O)cc3)n1)C(=O)NC2=O	ZINC001160083277	771996282	/nfs/dbraw/zinc/99/62/82/771996282.db2.gz	YUXRTRQKNWRSLA-UHFFFAOYSA-N	-1	0	323.312	0.410	20	30		DCEDRM
N#C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(N)=O	ZINC001187084416	772134360	/nfs/dbraw/zinc/13/43/60/772134360.db2.gz	IESHRWRXIJVLKK-VIFPVBQESA-N	-1	0	322.173	0.790	20	30		DCEDRM
Cc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1[N+](=O)[O-]	ZINC001187362133	772175632	/nfs/dbraw/zinc/17/56/32/772175632.db2.gz	USBSMWARCJPZDY-UHFFFAOYSA-N	-1	0	315.289	0.774	20	30		DCEDRM
COC(=O)c1scc(C#N)c1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187731839	772210580	/nfs/dbraw/zinc/21/05/80/772210580.db2.gz	RPYLJHUFSWZPQO-UHFFFAOYSA-N	-1	0	312.332	0.930	20	30		DCEDRM
Cc1cccc([O-])c1C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1	ZINC001188638221	772338322	/nfs/dbraw/zinc/33/83/22/772338322.db2.gz	IQDWHOQVQLKAEC-UHFFFAOYSA-N	-1	0	324.344	0.685	20	30		DCEDRM
C#CCCCCC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001189743410	772523708	/nfs/dbraw/zinc/52/37/08/772523708.db2.gz	CIPUZBYAYSHIFJ-LBPRGKRZSA-N	-1	0	305.382	0.737	20	30		DCEDRM
N#Cc1nc(Br)cnc1N[C@H]1SC(=O)[N-]C1=O	ZINC001163667252	772556088	/nfs/dbraw/zinc/55/60/88/772556088.db2.gz	QUXYOXAREVARRV-ZETCQYMHSA-N	-1	0	314.124	0.832	20	30		DCEDRM
COc1nc(S(=O)(=O)[N-]c2nnccc2C#N)ccc1F	ZINC001190066828	772575879	/nfs/dbraw/zinc/57/58/79/772575879.db2.gz	UCQIDOIYAICJET-UHFFFAOYSA-N	-1	0	309.282	0.692	20	30		DCEDRM
C=CCN1CC[C@@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O	ZINC001190697979	772658540	/nfs/dbraw/zinc/65/85/40/772658540.db2.gz	CYOTWJCZSWFWQV-CQSZACIVSA-N	-1	0	324.406	0.599	20	30		DCEDRM
CC#CCCCC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001191860147	772830763	/nfs/dbraw/zinc/83/07/63/772830763.db2.gz	XGIATJOXZOHHAN-LBPRGKRZSA-N	-1	0	305.382	0.737	20	30		DCEDRM
COC(=O)c1cccc(C(=O)OC)c1[N-]S(=O)(=O)CC#N	ZINC001192980680	772992302	/nfs/dbraw/zinc/99/23/02/772992302.db2.gz	QMIQOMCQLGYARS-UHFFFAOYSA-N	-1	0	312.303	0.525	20	30		DCEDRM
CCOC(=O)C1([N-]S(=O)(=O)[C@@H](C)C#N)Cc2ccccc2C1	ZINC001193170567	773013253	/nfs/dbraw/zinc/01/32/53/773013253.db2.gz	ODIJHJNQTYMCRK-NSHDSACASA-N	-1	0	322.386	0.919	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc(S(=O)(=O)N(C)C)c1	ZINC001193147051	773017607	/nfs/dbraw/zinc/01/76/07/773017607.db2.gz	WGUFGYZNIGWKRF-SECBINFHSA-N	-1	0	317.392	0.591	20	30		DCEDRM
COc1ccc(C#N)c(S(=O)(=O)Nc2c([O-])nc[nH]c2=O)c1	ZINC001193653530	773098461	/nfs/dbraw/zinc/09/84/61/773098461.db2.gz	IBJNRLAYWLXDGQ-UHFFFAOYSA-N	-1	0	322.302	0.569	20	30		DCEDRM
COC(=O)[C@@H](NC(=O)c1ccc(C#N)cc1[O-])C1CCOCC1	ZINC001195764406	773470188	/nfs/dbraw/zinc/47/01/88/773470188.db2.gz	KQSZREFMWCPDOS-AWEZNQCLSA-N	-1	0	318.329	0.962	20	30		DCEDRM
N#Cc1cc(NC(=O)c2cc(=O)cc(C(N)=O)o2)c([O-])cc1F	ZINC001196200175	773555010	/nfs/dbraw/zinc/55/50/10/773555010.db2.gz	HUDWWQKBJKVRAR-UHFFFAOYSA-N	-1	0	317.232	0.707	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)Cc1cccc(OC)c1	ZINC001197398387	773738043	/nfs/dbraw/zinc/73/80/43/773738043.db2.gz	GRKCGIOGHIZZCJ-GFCCVEGCSA-N	-1	0	312.347	0.570	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1ccccc1C(=O)[O-])C(=O)OC	ZINC001198802304	773986228	/nfs/dbraw/zinc/98/62/28/773986228.db2.gz	WWIWNYYHVSVIJO-JTQLQIEISA-N	-1	0	313.331	0.781	20	30		DCEDRM
CN(C)c1nc(NC(=O)c2cnc(C#N)cn2)c(N=O)c(=O)[n-]1	ZINC001199665819	774169578	/nfs/dbraw/zinc/16/95/78/774169578.db2.gz	XGCYBXOORVEPDE-UHFFFAOYSA-N	-1	0	314.265	0.560	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2cnc(C#N)nc2)c1	ZINC001201844190	774565683	/nfs/dbraw/zinc/56/56/83/774565683.db2.gz	VBSZCRCBKALFKG-UHFFFAOYSA-N	-1	0	319.302	0.331	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cc(C#N)ccn1	ZINC001223369095	775485166	/nfs/dbraw/zinc/48/51/66/775485166.db2.gz	HGBOBLSAMBIZDD-CYBMUJFWSA-N	-1	0	312.347	0.929	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nc(C)cc(C)n1	ZINC001225644901	775701938	/nfs/dbraw/zinc/70/19/38/775701938.db2.gz	RRWUHXLYWBRKFF-NSHDSACASA-N	-1	0	302.352	0.931	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccccc1=O	ZINC001227421396	775973168	/nfs/dbraw/zinc/97/31/68/775973168.db2.gz	OTKOQJSRHHFNEE-NSHDSACASA-N	-1	0	300.332	0.885	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c(C)n(C)ccc1=O	ZINC001228435962	776082964	/nfs/dbraw/zinc/08/29/64/776082964.db2.gz	QQZPWUQMLZKDSH-NSHDSACASA-N	-1	0	317.363	0.532	20	30		DCEDRM
CC(=O)O[C@H]1CO[C@@H]2[C@H](Oc3[n-]c(=O)ccc3C#N)CO[C@@H]21	ZINC001228905186	776136945	/nfs/dbraw/zinc/13/69/45/776136945.db2.gz	KTMIJBQGWVZIEW-XKAARJIMSA-N	-1	0	306.274	0.136	20	30		DCEDRM
O=C([O-])C[C@H](O)C(=O)Oc1ccc(O)c2c1C(=O)C=CC2=O	ZINC001229407166	776188344	/nfs/dbraw/zinc/18/83/44/776188344.db2.gz	JYLSUGSXGFNNSE-VIFPVBQESA-N	-1	0	306.226	0.068	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001230407516	776296733	/nfs/dbraw/zinc/29/67/33/776296733.db2.gz	SMSCNNYGWNKHDO-JTQLQIEISA-N	-1	0	309.370	0.182	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC001602817442	1169187543	/nfs/dbraw/zinc/18/75/43/1169187543.db2.gz	XCWGPCQIXXQADK-SNVBAGLBSA-N	-1	0	306.318	0.949	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C1(C)COC(C)(C)OC1)C(=O)[O-]	ZINC001602909764	1169202473	/nfs/dbraw/zinc/20/24/73/1169202473.db2.gz	HDHHPMWMZGKYFW-SNVBAGLBSA-N	-1	0	301.339	0.548	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001318139165	945274497	/nfs/dbraw/zinc/27/44/97/945274497.db2.gz	YWVKQKWZJAFJRJ-HNNXBMFYSA-N	-1	0	323.397	0.287	20	30		DCEDRM
C=CCN1CC[C@]2(CCCN(C(=O)Cc3nnn[n-]3)CC2)C1=O	ZINC001269576568	940735287	/nfs/dbraw/zinc/73/52/87/940735287.db2.gz	PIFLDLUSTVKAFY-OAHLLOKOSA-N	-1	0	318.381	0.159	20	30		DCEDRM
CN1CC2(CN(C(=O)CCC(=O)C3=CC=C[CH]3)C2)OCC1=O	ZINC001271441473	941376114	/nfs/dbraw/zinc/37/61/14/941376114.db2.gz	CUUCVDUVGWYZOU-UHFFFAOYSA-N	-1	0	303.338	0.106	20	30		DCEDRM
CCO[C@@H]1C[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)[C@@]12CCCO2	ZINC001412878501	942118393	/nfs/dbraw/zinc/11/83/93/942118393.db2.gz	FPZSUBRKQHFXSD-RWSFTLGLSA-N	-1	0	320.349	0.084	20	30		DCEDRM
CN(CC(=O)N1CCCC1)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001413034876	942220416	/nfs/dbraw/zinc/22/04/16/942220416.db2.gz	JPXBVWFWTVNOMY-UHFFFAOYSA-N	-1	0	314.349	0.361	20	30		DCEDRM
COc1ccc(N)cc1S(=O)(=O)[N-]c1ccncc1C#N	ZINC001214015515	942261983	/nfs/dbraw/zinc/26/19/83/942261983.db2.gz	UUBHMHZHNQWUSM-UHFFFAOYSA-N	-1	0	304.331	0.767	20	30		DCEDRM
C=C(C)CN1CC[C@@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1=O	ZINC001272287611	942666251	/nfs/dbraw/zinc/66/62/51/942666251.db2.gz	YAZWIZRAZUFHLZ-HNNXBMFYSA-N	-1	0	304.350	0.756	20	30		DCEDRM
C=C(C)CN1CC[C@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1=O	ZINC001272287612	942666262	/nfs/dbraw/zinc/66/62/62/942666262.db2.gz	YAZWIZRAZUFHLZ-OAHLLOKOSA-N	-1	0	304.350	0.756	20	30		DCEDRM
CC#CCCCC(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001484753096	943558516	/nfs/dbraw/zinc/55/85/16/943558516.db2.gz	DWAMACKRYWFHJH-UHFFFAOYSA-N	-1	0	307.398	0.984	20	30		DCEDRM
C=CCOCC(=O)N[C@H](C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001486435575	944888814	/nfs/dbraw/zinc/88/88/14/944888814.db2.gz	HCHIMEDRKPZTAO-LLVKDONJSA-N	-1	0	323.397	0.430	20	30		DCEDRM
O=C([O-])COc1cccc(C=Nn2c(=O)cn[nH]c2=S)c1	ZINC001320926977	946068822	/nfs/dbraw/zinc/06/88/22/946068822.db2.gz	XEGNOGBWSSWACJ-UHFFFAOYSA-N	-1	0	306.303	0.273	20	30		DCEDRM
C=CC[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC001321657784	946417251	/nfs/dbraw/zinc/41/72/51/946417251.db2.gz	KETRUUHKGRDVAE-LLVKDONJSA-N	-1	0	312.347	0.022	20	30		DCEDRM
CC[C@@H](CC#N)N1CCN(CCCCS(=O)(=O)[O-])CC1	ZINC001255178184	946474638	/nfs/dbraw/zinc/47/46/38/946474638.db2.gz	BWPYRDFMRXXAST-ZDUSSCGKSA-N	-1	0	303.428	0.964	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC001602672337	971237108	/nfs/dbraw/zinc/23/71/08/971237108.db2.gz	KUFAYJYKSQTNFG-UPJWGTAASA-N	-1	0	306.362	0.570	20	30		DCEDRM
COC[C@@H](C)[N@H+](CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001255566721	946526113	/nfs/dbraw/zinc/52/61/13/946526113.db2.gz	NJCQLBNIEDQXGT-BDAKNGLRSA-N	-1	0	302.333	0.037	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2oc(C)nc2c1	ZINC001602679081	971258361	/nfs/dbraw/zinc/25/83/61/971258361.db2.gz	KGENLSWWTIOBTB-UHFFFAOYSA-N	-1	0	315.285	0.621	20	30		DCEDRM
C=C1CC(C)(C(=O)NCCN(CCOC)Cc2n[nH]c(=O)[n-]2)C1	ZINC001279049337	946771806	/nfs/dbraw/zinc/77/18/06/946771806.db2.gz	HZNLGCGNFCDABL-UHFFFAOYSA-N	-1	0	323.397	0.431	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cnn(C[C@H]2CCCO2)c1	ZINC001602688513	971290645	/nfs/dbraw/zinc/29/06/45/971290645.db2.gz	OAGGSEBUGCFKDJ-GFCCVEGCSA-N	-1	0	306.322	0.614	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC1CCN(C(=O)OC)CC1	ZINC001602686218	971286568	/nfs/dbraw/zinc/28/65/68/971286568.db2.gz	VVIVMAOLLXMIHI-UHFFFAOYSA-N	-1	0	311.338	0.194	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCC(=O)N1CCC[C@H](C)C1	ZINC001602686283	971287620	/nfs/dbraw/zinc/28/76/20/971287620.db2.gz	ZCORLEBNNYMERQ-LBPRGKRZSA-N	-1	0	309.366	0.364	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1c(OC)cccc1OC	ZINC001602686292	971287677	/nfs/dbraw/zinc/28/76/77/971287677.db2.gz	ZOWNBBCFLXPXQH-UHFFFAOYSA-N	-1	0	306.318	0.933	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O	ZINC001602691625	971296594	/nfs/dbraw/zinc/29/65/94/971296594.db2.gz	PVYDANRTCONEJR-OLZOCXBDSA-N	-1	0	306.362	0.714	20	30		DCEDRM
CCOC(=O)c1nonc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC001259117714	946915274	/nfs/dbraw/zinc/91/52/74/946915274.db2.gz	BDQHETIHIQUYQH-UHFFFAOYSA-N	-1	0	322.302	0.919	20	30		DCEDRM
Cc1nc([N-]S(=O)(=O)c2cnn(C)c2)c(C#N)cc1C#N	ZINC001259820942	946989133	/nfs/dbraw/zinc/98/91/33/946989133.db2.gz	YCOPZQJTVYXWCZ-UHFFFAOYSA-N	-1	0	302.319	0.668	20	30		DCEDRM
C=CCN1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC001260186910	947081293	/nfs/dbraw/zinc/08/12/93/947081293.db2.gz	KCTCGXLGEODXFB-UHFFFAOYSA-N	-1	0	310.375	0.877	20	30		DCEDRM
N#C[C@H](NS(=O)(=O)c1cc(F)c(F)cc1Cl)C(N)=O	ZINC001260289449	947090317	/nfs/dbraw/zinc/09/03/17/947090317.db2.gz	XZURKQIGEVTXSV-ZETCQYMHSA-N	-1	0	309.681	0.274	20	30		DCEDRM
COC(=O)c1scc(C#N)c1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260954121	947156631	/nfs/dbraw/zinc/15/66/31/947156631.db2.gz	FAFHNDVHJPMGFG-UHFFFAOYSA-N	-1	0	312.332	0.930	20	30		DCEDRM
N#C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CCCC1	ZINC001462455411	1013070895	/nfs/dbraw/zinc/07/08/95/1013070895.db2.gz	OZNFJQSTABUZKB-NSHDSACASA-N	-1	0	300.322	0.270	20	30		DCEDRM
Cn1ncc2cc(S(=O)(=O)[N-]C(=O)CCCC#N)cnc21	ZINC001324013021	947284920	/nfs/dbraw/zinc/28/49/20/947284920.db2.gz	RHSGFLOWAFMHFS-UHFFFAOYSA-N	-1	0	307.335	0.467	20	30		DCEDRM
Cn1ncc2cc(S(=O)(=O)[N-]c3cnn(CC#N)c3)cnc21	ZINC001324177797	947342656	/nfs/dbraw/zinc/34/26/56/947342656.db2.gz	CRKIWKSCAAOLEF-UHFFFAOYSA-N	-1	0	317.334	0.489	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001324612951	947479406	/nfs/dbraw/zinc/47/94/06/947479406.db2.gz	ZKHWBLHMXNQSTE-UHFFFAOYSA-N	-1	0	307.371	0.835	20	30		DCEDRM
C=CCOc1cccnc1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001602728858	971397610	/nfs/dbraw/zinc/39/76/10/971397610.db2.gz	KMVZXNIKFMLDIL-NSHDSACASA-N	-1	0	320.301	0.489	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001602729690	971400334	/nfs/dbraw/zinc/40/03/34/971400334.db2.gz	BEIAAJNNEQPXAT-QJPTWQEYSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C=CC[C@H](NC(=O)NCCc1cn2c(n1)SCC2)C(=O)[O-]	ZINC001262176159	947593278	/nfs/dbraw/zinc/59/32/78/947593278.db2.gz	CMRYGCANFSHJSP-JTQLQIEISA-N	-1	0	310.379	0.860	20	30		DCEDRM
C=CCN(Cc1cncc(C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC001262486483	947688779	/nfs/dbraw/zinc/68/87/79/947688779.db2.gz	UOCISMTXSVJMPA-ZDUSSCGKSA-N	-1	0	310.375	0.955	20	30		DCEDRM
CC#CCNCc1cn(CC2(O)CCC(C(=O)[O-])CC2)nn1	ZINC001602735295	971418171	/nfs/dbraw/zinc/41/81/71/971418171.db2.gz	XTRIZLHAQHBXLA-UHFFFAOYSA-N	-1	0	306.366	0.397	20	30		DCEDRM
CC#CCCNC(=O)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602735077	971415556	/nfs/dbraw/zinc/41/55/56/971415556.db2.gz	NLXBGNOFAFXSHH-BWBHSNQOSA-N	-1	0	322.361	0.045	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cn(C[C@@H]2CCOC2)nn1	ZINC001263296646	947828398	/nfs/dbraw/zinc/82/83/98/947828398.db2.gz	LVFZUXXTKPEJBL-RYUDHWBXSA-N	-1	0	317.349	0.259	20	30		DCEDRM
C=CCCCS(=O)(=O)NCc1c(C)nn(CC(=O)[O-])c1C	ZINC001326331362	948132060	/nfs/dbraw/zinc/13/20/60/948132060.db2.gz	WUOJNZHZZDJUKH-UHFFFAOYSA-N	-1	0	315.395	0.970	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1	ZINC001326798002	948282647	/nfs/dbraw/zinc/28/26/47/948282647.db2.gz	TVEMYBRIIGBWNZ-JTQLQIEISA-N	-1	0	312.347	0.745	20	30		DCEDRM
C=CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@@H]1CCOC1	ZINC001263551457	948728067	/nfs/dbraw/zinc/72/80/67/948728067.db2.gz	WWSZNTVFWGJROF-JTQLQIEISA-N	-1	0	304.354	0.161	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)C[C@H]2CCN2CC#N)cc1=O	ZINC001263803055	948750592	/nfs/dbraw/zinc/75/05/92/948750592.db2.gz	WUWYCTNFRHDMDS-CQSZACIVSA-N	-1	0	319.409	0.431	20	30		DCEDRM
C#CCOCCN(C)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC001264015746	948832851	/nfs/dbraw/zinc/83/28/51/948832851.db2.gz	DHUCUDGYWDQDQO-JTQLQIEISA-N	-1	0	308.300	0.798	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](CS(C)(=O)=O)C1	ZINC001602778432	971511402	/nfs/dbraw/zinc/51/14/02/971511402.db2.gz	IOEPLZDEJKSYCO-MFKMUULPSA-N	-1	0	316.379	0.274	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC1CCN(c2cccnn2)CC1	ZINC001602780207	971517194	/nfs/dbraw/zinc/51/71/94/971517194.db2.gz	BXFKADLGLGHIRE-OAHLLOKOSA-N	-1	0	317.349	0.566	20	30		DCEDRM
C[C@H](NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001364397047	949188088	/nfs/dbraw/zinc/18/80/88/949188088.db2.gz	DPFRNMYZYGLSGN-LURJTMIESA-N	-1	0	319.243	0.071	20	30		DCEDRM
Cc1ccc(CC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)o1	ZINC001364451525	949329684	/nfs/dbraw/zinc/32/96/84/949329684.db2.gz	ZURRSRYTCFEKAI-UHFFFAOYSA-N	-1	0	314.301	0.348	20	30		DCEDRM
C[C@@H]1[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CCN1CC#N	ZINC001489312244	949751601	/nfs/dbraw/zinc/75/16/01/949751601.db2.gz	XDLTXWGYOQDGKX-BDAKNGLRSA-N	-1	0	320.315	0.546	20	30		DCEDRM
C[C@H]1CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)[C@H]1CCO	ZINC001576180271	949947823	/nfs/dbraw/zinc/94/78/23/949947823.db2.gz	OLVLZDMRXGWYJU-ONGXEEELSA-N	-1	0	314.353	0.516	20	30		DCEDRM
CC(C)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001329933364	949990770	/nfs/dbraw/zinc/99/07/70/949990770.db2.gz	AJBMDQFAUDKWSW-DZOVYVGFSA-N	-1	0	323.349	0.376	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]N2Cc3ccccc3C2=O)nc1	ZINC001364886097	950136579	/nfs/dbraw/zinc/13/65/79/950136579.db2.gz	XYVBVBROYGEAGG-UHFFFAOYSA-N	-1	0	314.326	0.803	20	30		DCEDRM
CC(C)C[C@@H]1COCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001574168473	950512909	/nfs/dbraw/zinc/51/29/09/950512909.db2.gz	VTAFCRJWRZYNPO-SNVBAGLBSA-N	-1	0	314.353	0.780	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001280412676	950844515	/nfs/dbraw/zinc/84/45/15/950844515.db2.gz	RUWULFYTPKYEHA-NWDGAFQWSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(OC)c(OC)cc1OC	ZINC000317452674	950907833	/nfs/dbraw/zinc/90/78/33/950907833.db2.gz	NTKWROLYTMWWPE-UHFFFAOYSA-N	-1	0	307.302	0.872	20	30		DCEDRM
CC[C@H]1C(=O)NCCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001365332284	950978145	/nfs/dbraw/zinc/97/81/45/950978145.db2.gz	FEUIPIQWTJGGJI-LBPRGKRZSA-N	-1	0	314.349	0.407	20	30		DCEDRM
C=CCCSCCNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001331508497	951149431	/nfs/dbraw/zinc/14/94/31/951149431.db2.gz	CGOHHNRDNJWJFV-MGCOHNPYSA-N	-1	0	300.380	0.391	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)C2)c(=O)[n-]c1=O	ZINC001365583512	951293018	/nfs/dbraw/zinc/29/30/18/951293018.db2.gz	OKJQSKMIHJBKIB-GDNZZTSVSA-N	-1	0	315.333	0.185	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1	ZINC001281657177	951583229	/nfs/dbraw/zinc/58/32/29/951583229.db2.gz	BYIVKDMFTWLSPH-RYUDHWBXSA-N	-1	0	305.382	0.783	20	30		DCEDRM
C=CCCOCC(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001296041897	951742017	/nfs/dbraw/zinc/74/20/17/951742017.db2.gz	KUKYECGHTMQXIE-UHFFFAOYSA-N	-1	0	310.354	0.205	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001333346392	952017192	/nfs/dbraw/zinc/01/71/92/952017192.db2.gz	BBTZOESEWDRQDQ-INIZCTEOSA-N	-1	0	310.394	0.977	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC001333619777	952116589	/nfs/dbraw/zinc/11/65/89/952116589.db2.gz	SGZQXLLUYJPKFC-UHFFFAOYSA-N	-1	0	300.405	0.883	20	30		DCEDRM
Cc1cnc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001411664770	952368575	/nfs/dbraw/zinc/36/85/75/952368575.db2.gz	GUISOOUOQWWYMT-UHFFFAOYSA-N	-1	0	305.319	0.614	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC2(O)CCCCCC2)c(=O)[n-]c1=O	ZINC001411827347	952470087	/nfs/dbraw/zinc/47/00/87/952470087.db2.gz	PGWYQPJBHKDCBH-UHFFFAOYSA-N	-1	0	320.349	0.022	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)C[C@@H](C)c1nnn[n-]1	ZINC001411987780	952584797	/nfs/dbraw/zinc/58/47/97/952584797.db2.gz	BYVIFMKWXWBTQW-MRVPVSSYSA-N	-1	0	301.310	0.356	20	30		DCEDRM
CNC(=O)[C@@H]1CCN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C1	ZINC001412192999	952686677	/nfs/dbraw/zinc/68/66/77/952686677.db2.gz	CKEJFIAPYDRSHH-MRVPVSSYSA-N	-1	0	320.374	0.589	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001336574908	952727964	/nfs/dbraw/zinc/72/79/64/952727964.db2.gz	XTFWCWBWJPEVNZ-NWDGAFQWSA-N	-1	0	324.402	0.038	20	30		DCEDRM
N#Cc1nc(NC(=O)CN2CSCCSC2)[n-]c1C#N	ZINC001412286083	952734481	/nfs/dbraw/zinc/73/44/81/952734481.db2.gz	AJZXCTPBEVTGCR-UHFFFAOYSA-N	-1	0	308.392	0.789	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1nc(=O)o[n-]1	ZINC001412292760	952736679	/nfs/dbraw/zinc/73/66/79/952736679.db2.gz	QNLLBAFQOAXWAI-VIFPVBQESA-N	-1	0	302.290	0.660	20	30		DCEDRM
CO[C@H](CNC(=O)c1[n-]c(=O)c(C#N)cc1C)[C@@H]1CCOC1	ZINC001412329580	952752474	/nfs/dbraw/zinc/75/24/74/952752474.db2.gz	VJYJBXFUIXGYCW-ZYHUDNBSSA-N	-1	0	305.334	0.749	20	30		DCEDRM
N#Cc1sccc1N1CCN(C(=O)CCc2nnn[n-]2)CC1	ZINC001412332320	952753416	/nfs/dbraw/zinc/75/34/16/952753416.db2.gz	NFIIATALSUWDFH-UHFFFAOYSA-N	-1	0	317.378	0.414	20	30		DCEDRM
Cc1ccc(N(CCC#N)C(=O)Cn2c(=O)[n-][nH]c2=O)cc1	ZINC001412478866	952830388	/nfs/dbraw/zinc/83/03/88/952830388.db2.gz	QJKMMRURYKIOJZ-UHFFFAOYSA-N	-1	0	301.306	0.945	20	30		DCEDRM
COC(=O)C1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC1	ZINC001413959581	952865012	/nfs/dbraw/zinc/86/50/12/952865012.db2.gz	BTMVYVORGWHVGI-UHFFFAOYSA-N	-1	0	315.333	0.692	20	30		DCEDRM
C[C@H]1C[C@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC001412749003	953052332	/nfs/dbraw/zinc/05/23/32/953052332.db2.gz	LEAKHRBBPFIINY-GXSJLCMTSA-N	-1	0	322.390	0.611	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N(C)C[C@@H]1CCCCO1	ZINC001339209634	953080832	/nfs/dbraw/zinc/08/08/32/953080832.db2.gz	CEHLVEKFWHMPHY-JTQLQIEISA-N	-1	0	304.358	0.650	20	30		DCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCO[C@@H](C)C1	ZINC001339628108	953106916	/nfs/dbraw/zinc/10/69/16/953106916.db2.gz	PUMIWVKIICAJJG-JTQLQIEISA-N	-1	0	304.354	0.795	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@H]2COC[C@]2(C)C1	ZINC001340432001	953168802	/nfs/dbraw/zinc/16/88/02/953168802.db2.gz	WZVJHEMCOMDMBH-BONVTDFDSA-N	-1	0	316.365	0.161	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H]2COC[C@]2(C)C1	ZINC001340431996	953169012	/nfs/dbraw/zinc/16/90/12/953169012.db2.gz	WZVJHEMCOMDMBH-BMIGLBTASA-N	-1	0	316.365	0.161	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c(=O)n(C)c2c1	ZINC001341902395	953257493	/nfs/dbraw/zinc/25/74/93/953257493.db2.gz	HWBJPJGYUFOZMX-SNVBAGLBSA-N	-1	0	316.317	0.364	20	30		DCEDRM
C=C(C)Cn1c(CCc2nn[nH]n2)nnc1N(C)CCOCC	ZINC001342313370	953283090	/nfs/dbraw/zinc/28/30/90/953283090.db2.gz	FKVNKOSIHHDLIG-UHFFFAOYSA-N	-1	0	320.401	0.625	20	30		DCEDRM
Cc1c(C([O-])=C(C#N)c2ccncn2)nnn1-c1ccn(C)n1	ZINC001343369780	953341682	/nfs/dbraw/zinc/34/16/82/953341682.db2.gz	VWHVSRKTDYPWTO-JTQLQIEISA-N	-1	0	308.305	0.589	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCc2ncncc2C1	ZINC001343386966	953342613	/nfs/dbraw/zinc/34/26/13/953342613.db2.gz	OZUGVDDLGXNZOI-JQWIXIFHSA-N	-1	0	309.329	0.907	20	30		DCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)c2nccn2C)n1	ZINC001344005036	953405562	/nfs/dbraw/zinc/40/55/62/953405562.db2.gz	NBFKIWYSQSQLEY-VIFPVBQESA-N	-1	0	311.301	0.380	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(S(C)(=O)=O)oc1C	ZINC001346121749	953804161	/nfs/dbraw/zinc/80/41/61/953804161.db2.gz	ITSGRQTXKGYMOQ-JTQLQIEISA-N	-1	0	310.331	0.616	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C	ZINC001346208287	953821977	/nfs/dbraw/zinc/82/19/77/953821977.db2.gz	OUORLZWLOAJGIY-MWLCHTKSSA-N	-1	0	308.338	0.832	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnn1CC(F)(F)F	ZINC001346229827	953826689	/nfs/dbraw/zinc/82/66/89/953826689.db2.gz	YJQHNPPGQYGNIH-MRVPVSSYSA-N	-1	0	318.255	0.530	20	30		DCEDRM
CN(C)C(=O)O[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001593687050	953994714	/nfs/dbraw/zinc/99/47/14/953994714.db2.gz	QTJHVXSJNNBFNC-HZMBPMFUSA-N	-1	0	311.338	0.680	20	30		DCEDRM
COC(=O)[C@H](CC(F)(F)F)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001593808341	954919357	/nfs/dbraw/zinc/91/93/57/954919357.db2.gz	VKXRZCDJLZBJBJ-WKEGUHRASA-N	-1	0	310.228	0.601	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001589088490	955920168	/nfs/dbraw/zinc/92/01/68/955920168.db2.gz	XKDYYZLGQADVLH-XWLWVQCSSA-N	-1	0	319.365	0.962	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1	ZINC001594606551	956185190	/nfs/dbraw/zinc/18/51/90/956185190.db2.gz	ZVJLMSAZWZDUCA-UHFFFAOYSA-N	-1	0	315.329	0.512	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCCCC1	ZINC001593932224	956196242	/nfs/dbraw/zinc/19/62/42/956196242.db2.gz	ZOORLTDXDWDKCL-CYBMUJFWSA-N	-1	0	312.322	0.362	20	30		DCEDRM
N#Cc1c(F)cc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1F	ZINC001594611816	956220774	/nfs/dbraw/zinc/22/07/74/956220774.db2.gz	GPHCAYRURZEOEJ-UHFFFAOYSA-N	-1	0	323.255	0.205	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001594612002	956224611	/nfs/dbraw/zinc/22/46/11/956224611.db2.gz	SIDKRHJLKMYHTC-RFAUZJTJSA-N	-1	0	304.277	0.871	20	30		DCEDRM
C[C@@](O)(CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)[O-]	ZINC001589138817	956252384	/nfs/dbraw/zinc/25/23/84/956252384.db2.gz	UCFXIVFWARMRFD-CQSZACIVSA-N	-1	0	306.293	0.681	20	30		DCEDRM
C[C@](O)(CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC001589147477	956308391	/nfs/dbraw/zinc/30/83/91/956308391.db2.gz	SUTCIVFQOBFVAQ-NSHDSACASA-N	-1	0	317.223	0.537	20	30		DCEDRM
N#Cc1cccc([C@H]2CN(C(=O)COCC(=O)[O-])CCO2)c1	ZINC001594625496	956310112	/nfs/dbraw/zinc/31/01/12/956310112.db2.gz	JRPYMZDGTRGACC-CYBMUJFWSA-N	-1	0	304.302	0.559	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)N2CCC[C@H](CC(=O)[O-])C2)n1	ZINC001594635658	956371009	/nfs/dbraw/zinc/37/10/09/956371009.db2.gz	PSJSZGNHKMPSSL-SNVBAGLBSA-N	-1	0	306.326	0.046	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCC(=O)NC1CC1	ZINC001446967102	1013146359	/nfs/dbraw/zinc/14/63/59/1013146359.db2.gz	VLVKBIJCWRSJJU-UHFFFAOYSA-N	-1	0	302.334	0.756	20	30		DCEDRM
COCCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)c(C)n1	ZINC001356058495	956768818	/nfs/dbraw/zinc/76/88/18/956768818.db2.gz	CAARAYKBZZQUTK-GFCCVEGCSA-N	-1	0	304.350	0.783	20	30		DCEDRM
N#CCCCCS(=O)(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001325840540	957312721	/nfs/dbraw/zinc/31/27/21/957312721.db2.gz	XZSSDPNXSKTESR-UHFFFAOYSA-N	-1	0	304.368	0.481	20	30		DCEDRM
CC[C@H](NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001413898673	957495556	/nfs/dbraw/zinc/49/55/56/957495556.db2.gz	RHPOGLHDFRRFND-NSHDSACASA-N	-1	0	305.338	0.308	20	30		DCEDRM
CC(=O)Nc1ccc(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)cc1	ZINC001413931899	957803379	/nfs/dbraw/zinc/80/33/79/957803379.db2.gz	QZEYTXGSBMAKRO-UHFFFAOYSA-N	-1	0	312.285	0.250	20	30		DCEDRM
C#C[C@H](NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)C(C)C	ZINC001341255697	957959250	/nfs/dbraw/zinc/95/92/50/957959250.db2.gz	HWJXJFMHOADGQW-RYUDHWBXSA-N	-1	0	309.366	0.409	20	30		DCEDRM
C#CCC(C)(C)COC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588389537	958008957	/nfs/dbraw/zinc/00/89/57/958008957.db2.gz	WFMURDVAGYJKFR-UHFFFAOYSA-N	-1	0	316.375	0.859	20	30		DCEDRM
C#CCCOC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001588394953	958037100	/nfs/dbraw/zinc/03/71/00/958037100.db2.gz	AEVJGKCBDGTLGW-VTWZXRTESA-N	-1	0	309.318	0.732	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc2c(cc1C)OCO2	ZINC001588395642	958042679	/nfs/dbraw/zinc/04/26/79/958042679.db2.gz	PEMQJZIKJZIDKT-UHFFFAOYSA-N	-1	0	318.285	0.209	20	30		DCEDRM
C#CCCOC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001588396149	958048617	/nfs/dbraw/zinc/04/86/17/958048617.db2.gz	QIAOCLGBHBWLGI-NSHDSACASA-N	-1	0	308.334	0.544	20	30		DCEDRM
Cc1cc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)ncc1C#N	ZINC001594316292	958066246	/nfs/dbraw/zinc/06/62/46/958066246.db2.gz	PMGUSSUOQVOPAJ-LLVKDONJSA-N	-1	0	316.317	0.523	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1csc(NCCOC)n1	ZINC001588406627	958094859	/nfs/dbraw/zinc/09/48/59/958094859.db2.gz	BMIDDGKRKYSUTG-UHFFFAOYSA-N	-1	0	311.363	0.290	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)C2)O1	ZINC001588408623	958114268	/nfs/dbraw/zinc/11/42/68/958114268.db2.gz	VOSVHCXLIONONJ-XUJVJEKNSA-N	-1	0	310.350	0.442	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC[S@](=O)Cc1ccccc1	ZINC001588408626	958115020	/nfs/dbraw/zinc/11/50/20/958115020.db2.gz	VRQNNMXQJPZEJC-QFIPXVFZSA-N	-1	0	322.386	0.665	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc2c1NC(=O)CO2	ZINC001588413351	958159942	/nfs/dbraw/zinc/15/99/42/958159942.db2.gz	ZSPUHYJNEKFPTD-UHFFFAOYSA-N	-1	0	303.274	0.569	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2nc(CO)cs2)n1CC	ZINC001588426640	958230350	/nfs/dbraw/zinc/23/03/50/958230350.db2.gz	UEAVYHHOCLSSLW-UHFFFAOYSA-N	-1	0	321.362	0.438	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CC=NO2)n1CC(C)C	ZINC001588427250	958242631	/nfs/dbraw/zinc/24/26/31/958242631.db2.gz	RLMUVUOHLFDHDS-NSHDSACASA-N	-1	0	305.338	0.906	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2oc(CO)cc2C)n1C	ZINC001588427236	958243238	/nfs/dbraw/zinc/24/32/38/958243238.db2.gz	RBWYOGPPFMBRGW-UHFFFAOYSA-N	-1	0	304.306	0.400	20	30		DCEDRM
C#CCSCC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001588433848	958300523	/nfs/dbraw/zinc/30/05/23/958300523.db2.gz	WBCVBRNNYDBAGI-VXGBXAGGSA-N	-1	0	321.402	0.803	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@H](C)[C@H](C(=O)[O-])C2)n1CCOC	ZINC001588451823	958415049	/nfs/dbraw/zinc/41/50/49/958415049.db2.gz	CCDSGGNPAQHRLK-UTUOFQBUSA-N	-1	0	324.381	0.691	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2ccc(Cl)s2)c(=O)[n-]c1=O	ZINC001361880130	958443210	/nfs/dbraw/zinc/44/32/10/958443210.db2.gz	NLUMSTAFMOCONL-UHFFFAOYSA-N	-1	0	324.749	0.852	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCCCOc1ccccc1F	ZINC001573321572	958482337	/nfs/dbraw/zinc/48/23/37/958482337.db2.gz	ZCDHRMVJYBGZMY-UHFFFAOYSA-N	-1	0	322.336	0.731	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)NC[C@](C)(O)C(=O)[O-])cc1	ZINC001588465437	958503119	/nfs/dbraw/zinc/50/31/19/958503119.db2.gz	JVJDHDJIGIAPQZ-HNNXBMFYSA-N	-1	0	321.333	0.560	20	30		DCEDRM
C=CCn1c(-c2cn(C)nn2)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001588470735	958531434	/nfs/dbraw/zinc/53/14/34/958531434.db2.gz	TXUDSCWSZPLXKK-JTQLQIEISA-N	-1	0	317.353	0.561	20	30		DCEDRM
C=CCn1c([C@@H](O)COC)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588471993	958538507	/nfs/dbraw/zinc/53/85/07/958538507.db2.gz	HKNDKQQVZYGOPN-HZMBPMFUSA-N	-1	0	310.354	0.445	20	30		DCEDRM
C=CCn1c(C[S@](C)=O)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588473069	958549697	/nfs/dbraw/zinc/54/96/97/958549697.db2.gz	WSQUHPIDIZJMKC-ASSNKEHSSA-N	-1	0	312.395	0.644	20	30		DCEDRM
C=CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1[C@]1(C)CNC(=O)C1	ZINC001588473331	958550319	/nfs/dbraw/zinc/55/03/19/958550319.db2.gz	XZMFXJOFCRCSOF-BMIGLBTASA-N	-1	0	319.365	0.153	20	30		DCEDRM
CN(C)c1ccccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362041494	958642830	/nfs/dbraw/zinc/64/28/30/958642830.db2.gz	HYCHXVHHLGBARY-UHFFFAOYSA-N	-1	0	313.317	0.525	20	30		DCEDRM
C[C@@H](Cc1ccco1)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362089377	958718490	/nfs/dbraw/zinc/71/84/90/958718490.db2.gz	MFRPJBAPAJOBRF-VIFPVBQESA-N	-1	0	302.290	0.161	20	30		DCEDRM
COCCN(CCC#N)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001362223345	958955975	/nfs/dbraw/zinc/95/59/75/958955975.db2.gz	QUQONURDFPQDMF-UHFFFAOYSA-N	-1	0	315.337	0.077	20	30		DCEDRM
C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001588551979	959031470	/nfs/dbraw/zinc/03/14/70/959031470.db2.gz	NGCYATCLXVLOKJ-BONVTDFDSA-N	-1	0	313.317	0.827	20	30		DCEDRM
C[C@@H]1CC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H](C)C1	ZINC001362293876	959086828	/nfs/dbraw/zinc/08/68/28/959086828.db2.gz	PWIGOCGIZDVWNB-CKYFFXLPSA-N	-1	0	304.350	0.761	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@]1(C#N)CC12CCCC2	ZINC001362347160	959187853	/nfs/dbraw/zinc/18/78/53/959187853.db2.gz	MPNCNCQTUGPONF-CYBMUJFWSA-N	-1	0	313.379	0.043	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[S@@](=O)C[C@H](C)C1	ZINC001362349906	959190373	/nfs/dbraw/zinc/19/03/73/959190373.db2.gz	BXVCPPQENUDFMM-AOUSDQRYSA-N	-1	0	307.375	0.808	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC001588583340	959276469	/nfs/dbraw/zinc/27/64/69/959276469.db2.gz	AFYLZKVIZIFHHM-VXNVDRBHSA-N	-1	0	308.315	0.989	20	30		DCEDRM
C[C@](O)(CNC(=O)Nc1nc(Cl)c(C#N)s1)C(=O)[O-]	ZINC001573584044	959363156	/nfs/dbraw/zinc/36/31/56/959363156.db2.gz	ZIQNZIVYBPQJRC-VIFPVBQESA-N	-1	0	304.715	0.625	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@H]2CCSC2)c(=O)[n-]c1=O	ZINC001362492541	959459398	/nfs/dbraw/zinc/45/93/98/959459398.db2.gz	DTOXPHBUPORSMM-SECBINFHSA-N	-1	0	308.363	0.080	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CC1(O)CCOCC1	ZINC001362508823	959490228	/nfs/dbraw/zinc/49/02/28/959490228.db2.gz	RLFCONHXWBHLRO-UHFFFAOYSA-N	-1	0	305.334	0.581	20	30		DCEDRM
COC1CCC(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362689149	959834968	/nfs/dbraw/zinc/83/49/68/959834968.db2.gz	NZAVNBGZJNWGIL-UHFFFAOYSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCC(F)CC1	ZINC001362702318	959858572	/nfs/dbraw/zinc/85/85/72/959858572.db2.gz	XBSVRALOJXGICV-BMQDGWLCSA-N	-1	0	322.340	0.854	20	30		DCEDRM
CCC1(O)CCC(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362765228	959955894	/nfs/dbraw/zinc/95/58/94/959955894.db2.gz	BYBFUXUBWVJTMR-UHFFFAOYSA-N	-1	0	320.349	0.020	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC2(C1)CN(C)C(=O)O2	ZINC001362774479	959967782	/nfs/dbraw/zinc/96/77/82/959967782.db2.gz	FTPPEYIZJGFXND-UHFFFAOYSA-N	-1	0	302.290	0.244	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001362858124	960097983	/nfs/dbraw/zinc/09/79/83/960097983.db2.gz	AEAJFKUPLMZTDB-UHFFFAOYSA-N	-1	0	309.285	0.639	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)cc1C#N	ZINC001362894926	960143065	/nfs/dbraw/zinc/14/30/65/960143065.db2.gz	XFKMBNAJYISMKX-MWLCHTKSSA-N	-1	0	323.374	0.196	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2c[nH]c(=O)c3ccccc23)c(C#N)c1=O	ZINC001307212549	960144873	/nfs/dbraw/zinc/14/48/73/960144873.db2.gz	MRQIIJHPMXVVDQ-UHFFFAOYSA-N	-1	0	323.312	0.811	20	30		DCEDRM
CC(C)c1oncc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362909156	960165351	/nfs/dbraw/zinc/16/53/51/960165351.db2.gz	WFKQHWGGEYCVER-UHFFFAOYSA-N	-1	0	317.305	0.961	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)[C@H]1CCC[C@H]1OC)C(=O)OC	ZINC001309442225	960199047	/nfs/dbraw/zinc/19/90/47/960199047.db2.gz	BBGGFBQDUPWEQS-TUAOUCFPSA-N	-1	0	321.395	0.218	20	30		DCEDRM
C=CCCc1ccc(S(=O)(=O)NCc2nc(=O)o[n-]2)cc1	ZINC001309559689	960201675	/nfs/dbraw/zinc/20/16/75/960201675.db2.gz	ZCQNJCJXCMOXPW-UHFFFAOYSA-N	-1	0	309.347	0.960	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362949458	960215320	/nfs/dbraw/zinc/21/53/20/960215320.db2.gz	RIQIAMCTFXCSBD-NSHDSACASA-N	-1	0	315.333	0.363	20	30		DCEDRM
CCc1cnc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001363033723	960322829	/nfs/dbraw/zinc/32/28/29/960322829.db2.gz	XPYUFTWCXFFBKL-UHFFFAOYSA-N	-1	0	303.278	0.400	20	30		DCEDRM
CC(C)(C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001363129482	960442809	/nfs/dbraw/zinc/44/28/09/960442809.db2.gz	ROWOPHWCBHOFNK-UHFFFAOYSA-N	-1	0	318.255	0.525	20	30		DCEDRM
CCO[C@@H]1COCC[C@@H]1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363162630	960511349	/nfs/dbraw/zinc/51/13/49/960511349.db2.gz	XCHNTACASGZAJP-BXKDBHETSA-N	-1	0	303.322	0.923	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000236451001	960620880	/nfs/dbraw/zinc/62/08/80/960620880.db2.gz	UQGQIQMRDCIYLF-NSHDSACASA-N	-1	0	313.360	0.192	20	30		DCEDRM
CCC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCC1	ZINC001363279668	960771014	/nfs/dbraw/zinc/77/10/14/960771014.db2.gz	WLHPXOXXSSZDBS-LBPRGKRZSA-N	-1	0	304.350	0.906	20	30		DCEDRM
COC[C@H]1CCCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363329591	960910541	/nfs/dbraw/zinc/91/05/41/960910541.db2.gz	ZZFHJLNJKBCKKO-GFCCVEGCSA-N	-1	0	320.349	0.238	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1CN1CC(=O)N(C)C[C@H]1C(=O)[O-]	ZINC001571073888	960924964	/nfs/dbraw/zinc/92/49/64/960924964.db2.gz	AMFKUVKBMZZNTP-AWEZNQCLSA-N	-1	0	301.346	0.902	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(Cc2noc3c2COCC3)c1=O	ZINC001571074599	960938767	/nfs/dbraw/zinc/93/87/67/960938767.db2.gz	JHGXSWDHCCDZDZ-UHFFFAOYSA-N	-1	0	301.258	0.527	20	30		DCEDRM
N#Cc1ccc(O[C@H]2CCN(C(=O)c3c[n-]ncc3=O)C2)nc1	ZINC001363374892	961011408	/nfs/dbraw/zinc/01/14/08/961011408.db2.gz	NZMUHRQMJAOWAE-NSHDSACASA-N	-1	0	311.301	0.742	20	30		DCEDRM
N#Cc1cnc(C(=O)NC2(c3nnn[n-]3)CCC2)c(Cl)c1	ZINC001363375593	961015542	/nfs/dbraw/zinc/01/55/42/961015542.db2.gz	AXEIZBXFKUJCLD-UHFFFAOYSA-N	-1	0	303.713	0.929	20	30		DCEDRM
COC(=O)[C@H]1CN(c2nnc(C)c(C)c2C#N)C[C@H]1C(=O)[O-]	ZINC001571085676	961056744	/nfs/dbraw/zinc/05/67/44/961056744.db2.gz	SBVBNXOBRMMEOM-MNOVXSKESA-N	-1	0	304.306	0.275	20	30		DCEDRM
C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363535256	961387214	/nfs/dbraw/zinc/38/72/14/961387214.db2.gz	RXNDGPQBSQTVGZ-KXGXSXBTSA-N	-1	0	302.334	0.371	20	30		DCEDRM
Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c(C#N)cn1	ZINC001571124057	961481351	/nfs/dbraw/zinc/48/13/51/961481351.db2.gz	YFELRVLTYKNKBE-LPWJVIDDSA-N	-1	0	314.345	0.463	20	30		DCEDRM
Cn1cc([C@@]2(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCCO2)cn1	ZINC001574454848	961502050	/nfs/dbraw/zinc/50/20/50/961502050.db2.gz	SBOAWAAYFISLRB-CABCVRRESA-N	-1	0	320.349	0.547	20	30		DCEDRM
COc1ncc(NC(=O)NCc2nc(C(=O)[O-])co2)cc1C#N	ZINC001571130836	961540675	/nfs/dbraw/zinc/54/06/75/961540675.db2.gz	KUIGUYHQSNFDJF-UHFFFAOYSA-N	-1	0	317.261	0.970	20	30		DCEDRM
CO[C@H]1CCn2cc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)nc2C1	ZINC001363645550	961617964	/nfs/dbraw/zinc/61/79/64/961617964.db2.gz	RTNVSMKUSZGPAQ-QMMMGPOBSA-N	-1	0	311.305	0.563	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1	ZINC001574485086	961674501	/nfs/dbraw/zinc/67/45/01/961674501.db2.gz	BGJDWPSRMKTMJT-XEZPLFJOSA-N	-1	0	316.313	0.151	20	30		DCEDRM
COC(=O)c1cc(C#N)c(=O)n(CC2(C(=O)[O-])CCOCC2)c1	ZINC001571145160	961725767	/nfs/dbraw/zinc/72/57/67/961725767.db2.gz	MQYMLRWTTCFAFT-UHFFFAOYSA-N	-1	0	320.301	0.388	20	30		DCEDRM
N#Cc1cn(CC(=O)C2([N-]C(=O)C(F)(F)F)CCCC2)nn1	ZINC001363754863	961813527	/nfs/dbraw/zinc/81/35/27/961813527.db2.gz	LCLHNCHWSXFOKN-UHFFFAOYSA-N	-1	0	315.255	0.710	20	30		DCEDRM
C#C[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[C@@H]1CCCO1	ZINC001336084856	961946926	/nfs/dbraw/zinc/94/69/26/961946926.db2.gz	WYWRBSWRBURRNK-CRWXNKLISA-N	-1	0	306.362	0.919	20	30		DCEDRM
CC(C)C[C@H](NC(=O)C(=O)Nc1cccc(C#N)n1)C(=O)[O-]	ZINC001588898668	962238692	/nfs/dbraw/zinc/23/86/92/962238692.db2.gz	RPHRJWIFIGXTCW-JTQLQIEISA-N	-1	0	304.306	0.507	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCc1nc(=O)o[n-]1	ZINC001363998669	962265890	/nfs/dbraw/zinc/26/58/90/962265890.db2.gz	AHQOLQUOGSJJGB-UHFFFAOYSA-N	-1	0	322.346	0.471	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Nc2ccccc2F)c(=O)[n-]c1=O	ZINC001364176547	962615932	/nfs/dbraw/zinc/61/59/32/962615932.db2.gz	DSENOYZMJSAVHE-UHFFFAOYSA-N	-1	0	317.280	0.781	20	30		DCEDRM
C[C@H](CN(C)c1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC(C)(C)C	ZINC001364192743	962648927	/nfs/dbraw/zinc/64/89/27/962648927.db2.gz	UAODMBRTFADPTB-SECBINFHSA-N	-1	0	322.365	0.359	20	30		DCEDRM
C#CC[C@H](NC(=O)/C=C\c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC001573303454	962677291	/nfs/dbraw/zinc/67/72/91/962677291.db2.gz	XPZHSLMNNLNRPL-XOIDGJRKSA-N	-1	0	314.297	0.623	20	30		DCEDRM
O=C([O-])CCCCC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC001574699865	962678386	/nfs/dbraw/zinc/67/83/86/962678386.db2.gz	XOROULYINYKDCW-YPKPFQOOSA-N	-1	0	309.322	0.274	20	30		DCEDRM
C#CCCCC(=O)NC[C@H](Nc1ccnc(C(=O)[O-])n1)C(C)C	ZINC001573303978	962682998	/nfs/dbraw/zinc/68/29/98/962682998.db2.gz	VFQQQOWYQHZQCT-LBPRGKRZSA-N	-1	0	318.377	0.953	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)CCCNC(=O)[O-])n1	ZINC001573311693	962709456	/nfs/dbraw/zinc/70/94/56/962709456.db2.gz	FAVJSBDVFKDWGP-UHFFFAOYSA-N	-1	0	322.365	0.539	20	30		DCEDRM
C=C(Br)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CNC(=O)[O-])C1	ZINC001573313193	962728332	/nfs/dbraw/zinc/72/83/32/962728332.db2.gz	FNHHLEHALYDCJM-RKDXNWHRSA-N	-1	0	320.187	0.742	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C[C@H]21	ZINC001573321708	962761972	/nfs/dbraw/zinc/76/19/72/962761972.db2.gz	QFWKJMHMHFKYTL-KVSVUVNWSA-N	-1	0	320.389	0.882	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573322224	962767743	/nfs/dbraw/zinc/76/77/43/962767743.db2.gz	WAVLAQBYPBCQDQ-GHMZBOCLSA-N	-1	0	311.382	0.819	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2cncc(Br)c2)c1=O	ZINC001364290538	962834844	/nfs/dbraw/zinc/83/48/44/962834844.db2.gz	SZVOGLPFRDNIIV-UHFFFAOYSA-N	-1	0	307.107	0.614	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C[C@H]1CCCOC1)C(=O)OC	ZINC001573332660	962839393	/nfs/dbraw/zinc/83/93/93/962839393.db2.gz	MPKJRTSEHQCTNF-VXGBXAGGSA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)CNC(=O)[O-])C1	ZINC001573338469	962874753	/nfs/dbraw/zinc/87/47/53/962874753.db2.gz	BPKQSROEIDIWLF-SECBINFHSA-N	-1	0	317.773	0.750	20	30		DCEDRM
C=C(Cl)CN1CC(CCO)(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573338749	962879793	/nfs/dbraw/zinc/87/97/93/962879793.db2.gz	HNHOZDIJWJZVBR-UWVGGRQHSA-N	-1	0	302.758	0.013	20	30		DCEDRM
C=C(Cl)CN1CC[C@]2(CCN(C(=O)CNC(=O)[O-])C2)C1	ZINC001573339007	962885807	/nfs/dbraw/zinc/88/58/07/962885807.db2.gz	MNDRPFWUTFDXGZ-ZDUSSCGKSA-N	-1	0	301.774	0.931	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)NC[C@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573339634	962893383	/nfs/dbraw/zinc/89/33/83/962893383.db2.gz	UNDVJCXNWISJMG-MRVPVSSYSA-N	-1	0	319.789	0.901	20	30		DCEDRM
C=C1CCC(C(=O)N[C@H]2CN(C(=O)CNC(=O)[O-])C[C@H]2C)CC1	ZINC001573344053	962911479	/nfs/dbraw/zinc/91/14/79/962911479.db2.gz	MWOHNJITCQNPKG-YPMHNXCESA-N	-1	0	323.393	0.964	20	30		DCEDRM
C=CC(C)(C)CC(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])[C@H]1C	ZINC001573347212	962947059	/nfs/dbraw/zinc/94/70/59/962947059.db2.gz	JVMLILOFVUGQSE-MNOVXSKESA-N	-1	0	311.382	0.962	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(CC)CCNc1ccnc(C(=O)[O-])n1	ZINC001573347558	962949149	/nfs/dbraw/zinc/94/91/49/962949149.db2.gz	LQMQERNVROCOBN-HNNXBMFYSA-N	-1	0	322.365	0.184	20	30		DCEDRM
C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CNC(=O)[O-])C1	ZINC001573350630	962972065	/nfs/dbraw/zinc/97/20/65/962972065.db2.gz	KUHVJOFSRKFEBO-LBPRGKRZSA-N	-1	0	323.393	0.987	20	30		DCEDRM
C=CCC(C)(C)C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573351930	962982878	/nfs/dbraw/zinc/98/28/78/962982878.db2.gz	YWQVMJXPJLNWFD-VXGBXAGGSA-N	-1	0	308.378	0.979	20	30		DCEDRM
C=CCCC[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001573356514	963007675	/nfs/dbraw/zinc/00/76/75/963007675.db2.gz	DBLYINMXOVDESZ-JTQLQIEISA-N	-1	0	323.305	0.682	20	30		DCEDRM
C=CCCC1(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CC1	ZINC001573357441	963017625	/nfs/dbraw/zinc/01/76/25/963017625.db2.gz	NZSLYDHLTJSCNW-VXGBXAGGSA-N	-1	0	306.362	0.781	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C(=O)OC	ZINC001573369405	963096747	/nfs/dbraw/zinc/09/67/47/963096747.db2.gz	SHLLYOSGOIECTJ-TUAOUCFPSA-N	-1	0	313.350	0.738	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)OC)C(=O)[O-]	ZINC001573369755	963101658	/nfs/dbraw/zinc/10/16/58/963101658.db2.gz	ZKQCTNSBMPJUSH-QJPTWQEYSA-N	-1	0	313.350	0.738	20	30		DCEDRM
CCO[C@@H]1C[C@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)[C@H]1OC	ZINC001448120924	1013766642	/nfs/dbraw/zinc/76/66/42/1013766642.db2.gz	QQVYJFPWRVSLHX-DMDPSCGWSA-N	-1	0	305.334	0.890	20	30		DCEDRM
N#CC1(c2ccccn2)CCN(C(=O)CCc2nnn[n-]2)CC1	ZINC001448429359	1013909083	/nfs/dbraw/zinc/90/90/83/1013909083.db2.gz	LYLQQSNRDUYVKI-UHFFFAOYSA-N	-1	0	311.349	0.611	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2coc(NC)n2)n1CC=C	ZINC001588426291	969881441	/nfs/dbraw/zinc/88/14/41/969881441.db2.gz	GELYULFQGWVVOC-UHFFFAOYSA-N	-1	0	316.321	0.685	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc(OCC#N)cc1	ZINC001604133693	972539025	/nfs/dbraw/zinc/53/90/25/972539025.db2.gz	GEZVWHJMBXBUTB-UHFFFAOYSA-N	-1	0	305.290	0.461	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC000393819316	972644901	/nfs/dbraw/zinc/64/49/01/972644901.db2.gz	QXANPIASGOJBGX-UHFFFAOYSA-N	-1	0	317.345	0.755	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(c1ncncc1C#N)C[C@H]2C(=O)[O-]	ZINC001604289369	972883451	/nfs/dbraw/zinc/88/34/51/972883451.db2.gz	GPJZQFQIYWCHJK-UQACVICXSA-N	-1	0	316.317	0.438	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1cc(C#N)ccc1C	ZINC001604306430	972961452	/nfs/dbraw/zinc/96/14/52/972961452.db2.gz	PCLATGBLNRNFPQ-UHFFFAOYSA-N	-1	0	304.302	0.957	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])c1ccc(C#N)cc1[N+](=O)[O-]	ZINC001604317355	972977227	/nfs/dbraw/zinc/97/72/27/972977227.db2.gz	OKMBMCCIPAVDDC-UHFFFAOYSA-N	-1	0	307.262	0.921	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC001604420707	973183950	/nfs/dbraw/zinc/18/39/50/973183950.db2.gz	BJILSRNEBFSFMQ-CYBMUJFWSA-N	-1	0	303.318	0.306	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C	ZINC001604462158	973309631	/nfs/dbraw/zinc/30/96/31/973309631.db2.gz	OGOPQHBIGHUFQN-BIGNPOOSSA-N	-1	0	314.338	0.462	20	30		DCEDRM
CCC(CC)(CNC(=O)C(=O)Nc1cccc(C#N)n1)C(=O)[O-]	ZINC001603531830	973576562	/nfs/dbraw/zinc/57/65/62/973576562.db2.gz	JJDACWPVZATGTH-UHFFFAOYSA-N	-1	0	318.333	0.899	20	30		DCEDRM
Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3ncncc3C#N)C2)cn1	ZINC001605489710	973635849	/nfs/dbraw/zinc/63/58/49/973635849.db2.gz	VHSNXNFCMJDANJ-QWRGUYRKSA-N	-1	0	312.333	0.776	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)NCc1nc(C#N)cs1	ZINC001604600960	973710021	/nfs/dbraw/zinc/71/00/21/973710021.db2.gz	XHMCZLFGGUEVCK-UHFFFAOYSA-N	-1	0	312.351	0.647	20	30		DCEDRM
COCCn1c([C@H]2C[C@H]2C#N)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001604630155	973763600	/nfs/dbraw/zinc/76/36/00/973763600.db2.gz	YXKBDJMPLFGRDY-SRVKXCTJSA-N	-1	0	319.365	0.853	20	30		DCEDRM
N#C[C@H](C(=O)COCC(=O)[O-])C(=O)NCc1cccc(Cl)c1	ZINC001605576656	973849254	/nfs/dbraw/zinc/84/92/54/973849254.db2.gz	PZWFZDQCBGICFD-LLVKDONJSA-N	-1	0	324.720	0.766	20	30		DCEDRM
N#CCC1(CNC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1	ZINC001605581608	973858716	/nfs/dbraw/zinc/85/87/16/973858716.db2.gz	DHQKNIZRIIKDSN-NSHDSACASA-N	-1	0	307.350	0.510	20	30		DCEDRM
N#CC[C@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)c1ccccc1	ZINC001605581978	973864428	/nfs/dbraw/zinc/86/44/28/973864428.db2.gz	QRUAKVLAJMNLIP-ZDUSSCGKSA-N	-1	0	315.329	0.439	20	30		DCEDRM
N#Cc1cc(F)cc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c1	ZINC001605592047	973893156	/nfs/dbraw/zinc/89/31/56/973893156.db2.gz	PYBCFQFGSUUTEJ-GFCCVEGCSA-N	-1	0	319.292	0.959	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC001603736770	974176601	/nfs/dbraw/zinc/17/66/01/974176601.db2.gz	RFDSIKXHFAJULF-MNOVXSKESA-N	-1	0	303.384	0.509	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1c(C)csc1C(=O)[O-]	ZINC000717785460	977919102	/nfs/dbraw/zinc/91/91/02/977919102.db2.gz	XQHJSCLGWLSPGD-SECBINFHSA-N	-1	0	317.388	0.807	20	30		DCEDRM
C[C@@H](CC(=O)[O-])CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N	ZINC001592391899	977940299	/nfs/dbraw/zinc/94/02/99/977940299.db2.gz	SNRZKSVYTXXJFZ-SECBINFHSA-N	-1	0	321.337	0.557	20	30		DCEDRM
C=C(CC(C)C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001529196001	1014519125	/nfs/dbraw/zinc/51/91/25/1014519125.db2.gz	PVYFKQMBEBQJDB-UHFFFAOYSA-N	-1	0	302.334	0.806	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)o1	ZINC001523862018	1014785050	/nfs/dbraw/zinc/78/50/50/1014785050.db2.gz	OGCPKXHPZXQIKN-VIFPVBQESA-N	-1	0	308.290	0.541	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1	ZINC001588370524	983319951	/nfs/dbraw/zinc/31/99/51/983319951.db2.gz	GEGJJLCGTXVALZ-LLVKDONJSA-N	-1	0	311.359	0.321	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1	ZINC001588375883	983348122	/nfs/dbraw/zinc/34/81/22/983348122.db2.gz	LOQFFSBZDQEBBU-UHFFFAOYSA-N	-1	0	322.267	0.575	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1	ZINC001588382163	983369326	/nfs/dbraw/zinc/36/93/26/983369326.db2.gz	IESIQUVTIDDTOS-OZVIIMIRSA-N	-1	0	306.362	0.427	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC001588394226	983402346	/nfs/dbraw/zinc/40/23/46/983402346.db2.gz	NFJRVLNYCOYDHK-JTQLQIEISA-N	-1	0	322.317	0.908	20	30		DCEDRM
C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC001588395889	983406898	/nfs/dbraw/zinc/40/68/98/983406898.db2.gz	VFWZDOPRJISCPY-JTQLQIEISA-N	-1	0	315.347	0.993	20	30		DCEDRM
C#CC[C@@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC001588399183	983415209	/nfs/dbraw/zinc/41/52/09/983415209.db2.gz	RJQJIYCVNGHDFK-SNVBAGLBSA-N	-1	0	310.350	0.884	20	30		DCEDRM
C#CC[C@H](NC(=O)OC1CN(C(=O)OC(C)(C)C)C1)C(=O)[O-]	ZINC001588407229	983427548	/nfs/dbraw/zinc/42/75/48/983427548.db2.gz	FFSRFWGGZJXSEN-JTQLQIEISA-N	-1	0	312.322	0.808	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1c(C)nn(C)c1Br)C(=O)[O-]	ZINC001588413562	983431389	/nfs/dbraw/zinc/43/13/89/983431389.db2.gz	BDSBTJCHLIWGBJ-SSDOTTSWSA-N	-1	0	314.139	0.697	20	30		DCEDRM
C#CC[C@H](NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C)C(=O)OC	ZINC001588414521	983434544	/nfs/dbraw/zinc/43/45/44/983434544.db2.gz	VHSZLWBBJBFJQE-JTQLQIEISA-N	-1	0	306.318	0.878	20	30		DCEDRM
C#CC[C@H](NC(=O)c1[nH]c(CC)c(C(=O)OC)c1C)C(=O)[O-]	ZINC001588414586	983434565	/nfs/dbraw/zinc/43/45/65/983434565.db2.gz	WJROYAWJOVTADI-JTQLQIEISA-N	-1	0	306.318	0.878	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccccc1CCC(=O)OC)C(=O)[O-]	ZINC001588417079	983438313	/nfs/dbraw/zinc/43/83/13/983438313.db2.gz	XBLMACZRTHPMJN-ZDUSSCGKSA-N	-1	0	303.314	0.999	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C1	ZINC001588431508	983465172	/nfs/dbraw/zinc/46/51/72/983465172.db2.gz	KBWJISZMKHJKQW-JHJVBQTASA-N	-1	0	306.362	0.427	20	30		DCEDRM
C#CCN(C)C(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001588461572	983490503	/nfs/dbraw/zinc/49/05/03/983490503.db2.gz	UADFSGSCJOCMQD-SNVBAGLBSA-N	-1	0	321.358	0.826	20	30		DCEDRM
C#CCN(C1CSC1)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588464984	983495850	/nfs/dbraw/zinc/49/58/50/983495850.db2.gz	ZMFNOKGDBJAFCU-UHFFFAOYSA-N	-1	0	312.372	0.519	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@@H](CC)Nc1ncc(C(=O)[O-])cn1	ZINC001588489934	983529829	/nfs/dbraw/zinc/52/98/29/983529829.db2.gz	DZBVFBHXRSZIPH-CMPLNLGQSA-N	-1	0	320.349	0.520	20	30		DCEDRM
C#Cc1ccc(NC(=O)CCN2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC001588517344	983564436	/nfs/dbraw/zinc/56/44/36/983564436.db2.gz	QOLFMHOZCXPUTE-CQSZACIVSA-N	-1	0	302.330	0.782	20	30		DCEDRM
C#Cc1ccc(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001588517332	983564483	/nfs/dbraw/zinc/56/44/83/983564483.db2.gz	QGAKGKQYWVTHIZ-UONOGXRCSA-N	-1	0	302.330	0.645	20	30		DCEDRM
C#Cc1cccc(NC(=S)NCCC(=O)NCCC(=O)[O-])c1	ZINC001588524308	983574493	/nfs/dbraw/zinc/57/44/93/983574493.db2.gz	FPPUFDREGBIOJZ-UHFFFAOYSA-N	-1	0	319.386	0.935	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588535427	983589108	/nfs/dbraw/zinc/58/91/08/983589108.db2.gz	HMZSMDDMVQOWAU-WISYIIOYSA-N	-1	0	303.380	0.750	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC001588535821	983591131	/nfs/dbraw/zinc/59/11/31/983591131.db2.gz	RDZQVHZVSNNYAO-NDBYEHHHSA-N	-1	0	324.377	0.405	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001596230286	983624884	/nfs/dbraw/zinc/62/48/84/983624884.db2.gz	ZYCGKEILYSNFJL-SECBINFHSA-N	-1	0	321.337	0.223	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC001596231342	983626425	/nfs/dbraw/zinc/62/64/25/983626425.db2.gz	MJNOONDLHYCGGE-UTLUCORTSA-N	-1	0	307.347	0.210	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC)C(C)(C)C(=O)[O-]	ZINC001596231502	983626873	/nfs/dbraw/zinc/62/68/73/983626873.db2.gz	OPTFYIBDFPLZSL-JTQLQIEISA-N	-1	0	305.400	0.898	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC001588553752	983628521	/nfs/dbraw/zinc/62/85/21/983628521.db2.gz	RGDWQYAUKLJADG-MNOVXSKESA-N	-1	0	316.379	0.089	20	30		DCEDRM
C=C(C)Cn1c([C@@H](O)CC)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588591088	983671726	/nfs/dbraw/zinc/67/17/26/983671726.db2.gz	DXINNGPWATYCCN-WDEREUQCSA-N	-1	0	310.354	0.587	20	30		DCEDRM
C=C(C)Cn1c([C@@H](C)O)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588599561	983690529	/nfs/dbraw/zinc/69/05/29/983690529.db2.gz	WYBBBRXMPMKUDO-QMTHXVAHSA-N	-1	0	310.354	0.587	20	30		DCEDRM
C=C(C)Cn1c([C@H](C)O)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588599559	983690562	/nfs/dbraw/zinc/69/05/62/983690562.db2.gz	WYBBBRXMPMKUDO-HZMBPMFUSA-N	-1	0	310.354	0.587	20	30		DCEDRM
C=C(CC)Cn1nnnc1N1CC[NH+](C(C)(C)C(=O)[O-])CC1	ZINC001588606977	983699365	/nfs/dbraw/zinc/69/93/65/983699365.db2.gz	NLAHNUSTRAQHHD-UHFFFAOYSA-N	-1	0	308.386	0.625	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCC1(S(C)(=O)=O)CCCC1	ZINC001588623410	983728134	/nfs/dbraw/zinc/72/81/34/983728134.db2.gz	PIYOYCQVEUSOKI-UHFFFAOYSA-N	-1	0	303.380	0.881	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O	ZINC001588623590	983728901	/nfs/dbraw/zinc/72/89/01/983728901.db2.gz	TXMPCEFQRBRYMF-LLVKDONJSA-N	-1	0	306.322	0.063	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC001596300289	983729091	/nfs/dbraw/zinc/72/90/91/983729091.db2.gz	STJVMQQMSFPBKE-ZETCQYMHSA-N	-1	0	317.289	0.462	20	30		DCEDRM
CCN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cnc(C#N)cn1	ZINC001596326098	983759413	/nfs/dbraw/zinc/75/94/13/983759413.db2.gz	CKPFMAVZJKMZTO-VXGBXAGGSA-N	-1	0	317.349	0.402	20	30		DCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001588644210	983768654	/nfs/dbraw/zinc/76/86/54/983768654.db2.gz	HKQXGNXNRSOSQX-PHIMTYICSA-N	-1	0	305.338	0.869	20	30		DCEDRM
CCN(CCNc1cc(C)ncc1C#N)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001596339421	983784061	/nfs/dbraw/zinc/78/40/61/983784061.db2.gz	KKLFTRFWXKXJSJ-CHWSQXEVSA-N	-1	0	316.361	0.665	20	30		DCEDRM
C=CC(C)(C)CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC001588672924	983827866	/nfs/dbraw/zinc/82/78/66/983827866.db2.gz	DYHBPWUWGLKXTK-JTQLQIEISA-N	-1	0	303.380	0.689	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@](OC)(C(=O)[O-])C2)n1CC1CC1	ZINC001588706261	983930329	/nfs/dbraw/zinc/93/03/29/983930329.db2.gz	XFQSPZGWVTWATE-NHYWBVRUSA-N	-1	0	322.365	0.587	20	30		DCEDRM
C=CCC(CC=C)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC001588737604	984030057	/nfs/dbraw/zinc/03/00/57/984030057.db2.gz	NGRFRCBZVJOGGS-GFCCVEGCSA-N	-1	0	315.391	0.855	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1	ZINC001588769175	984132849	/nfs/dbraw/zinc/13/28/49/984132849.db2.gz	ONTFKCUABNPNRN-LBPRGKRZSA-N	-1	0	324.377	0.239	20	30		DCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C)cc2C(=O)[O-])C1	ZINC001588770764	984136308	/nfs/dbraw/zinc/13/63/08/984136308.db2.gz	GGQFXFXQFQSZFD-SNVBAGLBSA-N	-1	0	320.349	0.872	20	30		DCEDRM
C=CCC[C@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588778060	984158792	/nfs/dbraw/zinc/15/87/92/984158792.db2.gz	SCXIJMJZIHAIPX-LLVKDONJSA-N	-1	0	305.396	0.878	20	30		DCEDRM
C=CCCC(C)(C)Cn1nnnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588778027	984159012	/nfs/dbraw/zinc/15/90/12/984159012.db2.gz	QBZVLLWBFPIYND-NSHDSACASA-N	-1	0	309.370	0.955	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@]12CCC(=O)N1CCS2)C(=O)[O-]	ZINC001588789825	984201616	/nfs/dbraw/zinc/20/16/16/984201616.db2.gz	KMEPJNDDYDELHG-YGRLFVJLSA-N	-1	0	312.391	0.978	20	30		DCEDRM
C=CCCS(=O)(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001588812829	984268706	/nfs/dbraw/zinc/26/87/06/984268706.db2.gz	ARXJDWGRDJGZFY-UHFFFAOYSA-N	-1	0	314.367	0.519	20	30		DCEDRM
C=CCCn1cc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)OC)nn1	ZINC001588820125	984282363	/nfs/dbraw/zinc/28/23/63/984282363.db2.gz	RILQXNQEJFHJNP-AAEUAGOBSA-N	-1	0	322.365	0.692	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1	ZINC001588822777	984291350	/nfs/dbraw/zinc/29/13/50/984291350.db2.gz	PAYYXTUHIQXBLH-VIFPVBQESA-N	-1	0	323.374	0.802	20	30		DCEDRM
C=CCN(CCOC)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588828602	984307745	/nfs/dbraw/zinc/30/77/45/984307745.db2.gz	DDOGNQGEKRVPKW-UHFFFAOYSA-N	-1	0	300.336	0.603	20	30		DCEDRM
C=CCN1CC[C@H](n2nnc(-c3ccc(C(=O)[O-])cc3)n2)C1=O	ZINC001588839787	984349832	/nfs/dbraw/zinc/34/98/32/984349832.db2.gz	VOLSOYFJDXHKIQ-LBPRGKRZSA-N	-1	0	313.317	0.998	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)c1cscc1C(=O)[O-]	ZINC001588844354	984357408	/nfs/dbraw/zinc/35/74/08/984357408.db2.gz	UOLWLPQAQRQSAK-UHFFFAOYSA-N	-1	0	312.303	0.615	20	30		DCEDRM
C=CCNC(=O)CNC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588844476	984358014	/nfs/dbraw/zinc/35/80/14/984358014.db2.gz	INXGGIAFEVVDIO-UHFFFAOYSA-N	-1	0	309.326	0.127	20	30		DCEDRM
C=CCOCC(=O)N(C)[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001588850122	984379499	/nfs/dbraw/zinc/37/94/99/984379499.db2.gz	YBFUNHFNFJECEU-LBPRGKRZSA-N	-1	0	320.349	0.415	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C(=O)[O-]	ZINC001588850758	984379670	/nfs/dbraw/zinc/37/96/70/984379670.db2.gz	CXJVZZGNLOIVAR-QWRGUYRKSA-N	-1	0	314.382	0.699	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C(=O)[O-]	ZINC001588850970	984381920	/nfs/dbraw/zinc/38/19/20/984381920.db2.gz	MHWCYUSGYVKBJV-ONGXEEELSA-N	-1	0	310.306	0.170	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1C[C@H](CNc2ncc(C(=O)[O-])cn2)C1	ZINC001588851184	984383779	/nfs/dbraw/zinc/38/37/79/984383779.db2.gz	XSFPFJQRQOLECY-UMSPYCQHSA-N	-1	0	320.349	0.684	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)C(=O)OC	ZINC001588853850	984386900	/nfs/dbraw/zinc/38/69/00/984386900.db2.gz	JPYCHWADTBWVKR-JPVGGKMYSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(=O)[O-]	ZINC001588855162	984391092	/nfs/dbraw/zinc/39/10/92/984391092.db2.gz	AIGCSPBOQRNXDA-OLZOCXBDSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C1(C(=O)OCC)CCCC1)C(=O)[O-]	ZINC001588855693	984394601	/nfs/dbraw/zinc/39/46/01/984394601.db2.gz	PKNGSWOZEAXGEU-NSHDSACASA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccsc1C(=O)OC)C(=O)[O-]	ZINC001588860122	984410710	/nfs/dbraw/zinc/41/07/10/984410710.db2.gz	JSBZWJAVXZZCON-VIFPVBQESA-N	-1	0	313.331	0.920	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cn(CCC(C)C)nn1)C(=O)[O-]	ZINC001588860288	984412289	/nfs/dbraw/zinc/41/22/89/984412289.db2.gz	PICJHGWVZINGDV-LBPRGKRZSA-N	-1	0	310.354	0.710	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c[nH]cc(Cl)c1=O)C(=O)[O-]	ZINC001588860598	984414156	/nfs/dbraw/zinc/41/41/56/984414156.db2.gz	ZWMHLJKLPCXSGF-VIFPVBQESA-N	-1	0	300.698	0.414	20	30		DCEDRM
C=CCOC[C@@H](NCc1cn(Cc2cccnc2)nn1)C(=O)[O-]	ZINC001588866269	984424044	/nfs/dbraw/zinc/42/40/44/984424044.db2.gz	KXQOKFZWMHPKFW-CQSZACIVSA-N	-1	0	317.349	0.467	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cc(C#N)ccc1C)C(=O)[O-]	ZINC001588866453	984425028	/nfs/dbraw/zinc/42/50/28/984425028.db2.gz	MUSVUBFCYJISIH-LBPRGKRZSA-N	-1	0	324.358	0.801	20	30		DCEDRM
C=CCOCc1nnc(N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)n1C	ZINC001588868831	984435915	/nfs/dbraw/zinc/43/59/15/984435915.db2.gz	XTYQFOIKWXLSLN-AWEZNQCLSA-N	-1	0	321.337	0.328	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC001588869019	984436911	/nfs/dbraw/zinc/43/69/11/984436911.db2.gz	LMZKLJNFNGRDPJ-UHFFFAOYSA-N	-1	0	320.345	0.662	20	30		DCEDRM
C=CCOc1ccc(C(=O)NC[C@@H](O)CC(=O)[O-])cc1OC	ZINC001588869635	984440356	/nfs/dbraw/zinc/44/03/56/984440356.db2.gz	RQGFZNCGQBJPIZ-NSHDSACASA-N	-1	0	309.318	0.825	20	30		DCEDRM
C=CCn1c(-c2cnsn2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588890047	984483534	/nfs/dbraw/zinc/48/35/34/984483534.db2.gz	MNYQGZRWZNWQPM-QMMMGPOBSA-N	-1	0	306.351	0.894	20	30		DCEDRM
C=CCn1c(-c2ncccn2)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588891873	984490271	/nfs/dbraw/zinc/49/02/71/984490271.db2.gz	VVHRUJHABQIUCK-AWEZNQCLSA-N	-1	0	318.312	0.924	20	30		DCEDRM
C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588897852	984514072	/nfs/dbraw/zinc/51/40/72/984514072.db2.gz	VWEGROLBQRHEAI-OTYXRUKQSA-N	-1	0	323.328	0.418	20	30		DCEDRM
COCCCn1cc(C([O-])=C(C#N)C(=O)c2nccn2C)cn1	ZINC001524761305	1015047446	/nfs/dbraw/zinc/04/74/46/1015047446.db2.gz	FKJNOVDBJMGYHM-GFCCVEGCSA-N	-1	0	315.333	0.858	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])nn1	ZINC001588909858	984545875	/nfs/dbraw/zinc/54/58/75/984545875.db2.gz	CAMBAUPQQQOYMC-SECBINFHSA-N	-1	0	307.335	0.346	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001588917321	984566514	/nfs/dbraw/zinc/56/65/14/984566514.db2.gz	WCGNPBFZHDHQLG-WYUUTHIRSA-N	-1	0	311.334	0.442	20	30		DCEDRM
CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC#N)CC(=O)[O-]	ZINC001588925864	984589361	/nfs/dbraw/zinc/58/93/61/984589361.db2.gz	YHNZXNBKWBRDRQ-NSHDSACASA-N	-1	0	323.349	0.730	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCc2nnn(C)c2C1	ZINC001524740777	1015048116	/nfs/dbraw/zinc/04/81/16/1015048116.db2.gz	QDDCHMUYRVKHNZ-NXEZZACHSA-N	-1	0	312.333	0.245	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC001588926179	984591980	/nfs/dbraw/zinc/59/19/80/984591980.db2.gz	MCMAMZVRZLCGFU-LBPRGKRZSA-N	-1	0	318.329	0.522	20	30		DCEDRM
CC#CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C	ZINC001588930945	984599892	/nfs/dbraw/zinc/59/98/92/984599892.db2.gz	GIATWDJIOMTQRA-UHFFFAOYSA-N	-1	0	303.318	0.529	20	30		DCEDRM
C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)c1ccc(C#N)[nH]1	ZINC001599890994	984693655	/nfs/dbraw/zinc/69/36/55/984693655.db2.gz	GHBSMKLCIVPWJR-MRVPVSSYSA-N	-1	0	314.305	0.605	20	30		DCEDRM
C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)c1c[nH]c(C#N)c1	ZINC001599891166	984695860	/nfs/dbraw/zinc/69/58/60/984695860.db2.gz	JXAPNXLRZOKWKZ-MRVPVSSYSA-N	-1	0	314.305	0.605	20	30		DCEDRM
CC(=O)N/C(=C\c1ccccc1)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001589099315	985306131	/nfs/dbraw/zinc/30/61/31/985306131.db2.gz	WYHGVLVXLZDEMH-KAMYIIQDSA-N	-1	0	315.329	0.990	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001599942489	985472117	/nfs/dbraw/zinc/47/21/17/985472117.db2.gz	MKJLOPOZLQNTEK-ZUZCIYMTSA-N	-1	0	303.318	0.758	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2cc(C#N)ccn2)CCN1CCC(=O)[O-]	ZINC001594489561	985593812	/nfs/dbraw/zinc/59/38/12/985593812.db2.gz	QUMXWLPTBPEJSM-LLVKDONJSA-N	-1	0	302.334	0.574	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)c1ncc(C(=O)[O-])cn1	ZINC001589328666	986159075	/nfs/dbraw/zinc/15/90/75/986159075.db2.gz	FZWZSQNOCRSFOM-PWSUYJOCSA-N	-1	0	317.349	0.762	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)[C@H](C)C#N)Nc1ccnc(C(=O)[O-])n1	ZINC001589329969	986168895	/nfs/dbraw/zinc/16/88/95/986168895.db2.gz	XDHQSLGSINLVLQ-NXEZZACHSA-N	-1	0	305.338	0.309	20	30		DCEDRM
C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21)n1cnc(C#N)n1	ZINC001589346139	986285314	/nfs/dbraw/zinc/28/53/14/986285314.db2.gz	LXNUNXDAQXHLCG-WYUUTHIRSA-N	-1	0	317.349	0.813	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001589558037	987308455	/nfs/dbraw/zinc/30/84/55/987308455.db2.gz	KXTNKVJIFPWRKU-YTWAJWBKSA-N	-1	0	300.380	0.955	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001387221814	987715568	/nfs/dbraw/zinc/71/55/68/987715568.db2.gz	AIELIWWIJCOJRT-SCZZXKLOSA-N	-1	0	305.338	0.162	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2CCCC2(F)F)c(=O)[n-]c1=O	ZINC001450815998	1015373774	/nfs/dbraw/zinc/37/37/74/1015373774.db2.gz	VECJDSGLSCLSQM-SECBINFHSA-N	-1	0	312.276	0.515	20	30		DCEDRM
CCc1nc(C#N)cc(N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)n1	ZINC001597645578	988665243	/nfs/dbraw/zinc/66/52/43/988665243.db2.gz	VDVZYVNUTZPACD-UWVGGRQHSA-N	-1	0	304.306	0.221	20	30		DCEDRM
C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(CCC#N)cc1)C(=O)[O-]	ZINC001599845036	988916800	/nfs/dbraw/zinc/91/68/00/988916800.db2.gz	IBOREUDXTBTWJZ-SKDRFNHKSA-N	-1	0	312.347	0.255	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccccc2CC#N)C[C@@H](C(=O)[O-])O1	ZINC001599868248	989306358	/nfs/dbraw/zinc/30/63/58/989306358.db2.gz	RCEPOLSJTSWPIN-PWSUYJOCSA-N	-1	0	324.358	0.615	20	30		DCEDRM
C[C@@H]1CN(c2nnc(-c3ccc(C#N)n3C)n2C)C[C@H]1C(=O)[O-]	ZINC001599868785	989314572	/nfs/dbraw/zinc/31/45/72/989314572.db2.gz	CLVSMCLONNGNHW-MWLCHTKSSA-N	-1	0	314.349	0.849	20	30		DCEDRM
CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1C1(C#N)CCOCC1	ZINC001597858420	989619590	/nfs/dbraw/zinc/61/95/90/989619590.db2.gz	FJXAKWGGPBOUPX-NSHDSACASA-N	-1	0	319.365	0.781	20	30		DCEDRM
CCn1cc(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001597897995	989764045	/nfs/dbraw/zinc/76/40/45/989764045.db2.gz	ABOHTKMOTTVPJO-UHFFFAOYSA-N	-1	0	312.351	0.282	20	30		DCEDRM
CN(C(=O)Cn1c(N)nc(C#N)c1C#N)c1ccccc1C(=O)[O-]	ZINC001598039706	990267145	/nfs/dbraw/zinc/26/71/45/990267145.db2.gz	BGDHSNSBGUVZBL-UHFFFAOYSA-N	-1	0	324.300	0.570	20	30		DCEDRM
CN(C(=O)Cn1cnc(C(=O)[O-])cc1=O)C1(C#N)CCCCC1	ZINC001598041997	990280163	/nfs/dbraw/zinc/28/01/63/990280163.db2.gz	LRZNGYYSJZEEEV-UHFFFAOYSA-N	-1	0	318.333	0.626	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC001590616457	990291734	/nfs/dbraw/zinc/29/17/34/990291734.db2.gz	AMYNGCMTWDBSCS-LBPRGKRZSA-N	-1	0	304.368	0.479	20	30		DCEDRM
CC(C)(CCN=Nc1ccc(S(N)(=O)=O)cn1)C(=O)[O-]	ZINC001590654033	990345336	/nfs/dbraw/zinc/34/53/36/990345336.db2.gz	IVWFGRAQAMMHBY-UHFFFAOYSA-N	-1	0	300.340	0.628	20	30		DCEDRM
CN([C@@H](COC1CCC1)C(=O)[O-])S(=O)(=O)CCCC#N	ZINC001598110106	990501183	/nfs/dbraw/zinc/50/11/83/990501183.db2.gz	ODMJJUNYTZRMQB-NSHDSACASA-N	-1	0	304.368	0.574	20	30		DCEDRM
CC(C)C[C@](C)(C#N)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001591124667	991817324	/nfs/dbraw/zinc/81/73/24/991817324.db2.gz	XRPRRAVUKHZVIU-XHDPSFHLSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)C(=O)[O-]	ZINC001591144732	991880532	/nfs/dbraw/zinc/88/05/32/991880532.db2.gz	XGGWDGFILCYQDF-SNVBAGLBSA-N	-1	0	318.333	0.755	20	30		DCEDRM
CN(CCC#N)C(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl	ZINC001598467923	991979547	/nfs/dbraw/zinc/97/95/47/991979547.db2.gz	DICGHHZQOGSCBJ-UHFFFAOYSA-N	-1	0	310.697	0.744	20	30		DCEDRM
CC(C)C[C@H](NCC(F)(F)F)C(=O)N(CC#N)CC(=O)[O-]	ZINC001591471512	992584526	/nfs/dbraw/zinc/58/45/26/992584526.db2.gz	QDBZOPQUVVJSTE-VIFPVBQESA-N	-1	0	309.288	0.990	20	30		DCEDRM
CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)C#N	ZINC001598645684	994369453	/nfs/dbraw/zinc/36/94/53/994369453.db2.gz	JKQCAMLUUUQQQO-QMMMGPOBSA-N	-1	0	305.290	0.608	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C[C@@H]2CC(C(=O)[O-])=C(C)O2)CC1	ZINC001598716307	995414376	/nfs/dbraw/zinc/41/43/76/995414376.db2.gz	IBAOMWQJCDZZOK-NSHDSACASA-N	-1	0	308.334	0.913	20	30		DCEDRM
C[C@@H](OC(=O)CNc1ccc(C#N)cc1)C(=O)NCC(=O)[O-]	ZINC001593534055	995583369	/nfs/dbraw/zinc/58/33/69/995583369.db2.gz	NPDKHEHTPKLUME-SECBINFHSA-N	-1	0	305.290	0.103	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CCCSCC#N	ZINC001598748633	995622148	/nfs/dbraw/zinc/62/21/48/995622148.db2.gz	BXZFUEKNSFZQPT-GHMZBOCLSA-N	-1	0	300.380	0.971	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(C#N)ccn2)C1	ZINC001598771382	995886238	/nfs/dbraw/zinc/88/62/38/995886238.db2.gz	IVNSNPZSDOBKMV-JQWIXIFHSA-N	-1	0	317.301	0.432	20	30		DCEDRM
C[C@H](SCCS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001593661959	996040461	/nfs/dbraw/zinc/04/04/61/996040461.db2.gz	UFDPSHOURMDIIA-QMMMGPOBSA-N	-1	0	300.361	0.933	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])C1	ZINC001593739611	996353480	/nfs/dbraw/zinc/35/34/80/996353480.db2.gz	JBZSZHMRBDJCJB-ABAIWWIYSA-N	-1	0	307.350	0.604	20	30		DCEDRM
COC(=O)[C@H]1CN(c2ccc(Cl)c(C#N)n2)C[C@@H]1C(=O)[O-]	ZINC001598826278	996386170	/nfs/dbraw/zinc/38/61/70/996386170.db2.gz	HWTSKGXHUUNYQU-YUMQZZPRSA-N	-1	0	309.709	0.917	20	30		DCEDRM
COc1cc(C(=O)[O-])sc1S(=O)(=O)N1CC(C)(C#N)C1	ZINC001599384886	996926137	/nfs/dbraw/zinc/92/61/37/996926137.db2.gz	XVZQMKHUPDLDMC-UHFFFAOYSA-N	-1	0	316.360	0.989	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(C#N)cc1F	ZINC001598892288	997015103	/nfs/dbraw/zinc/01/51/03/997015103.db2.gz	MIMXZJXYAOUGFB-LLVKDONJSA-N	-1	0	308.265	0.834	20	30		DCEDRM
CC(C)CSCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001466649899	1016097815	/nfs/dbraw/zinc/09/78/15/1016097815.db2.gz	BAPDSOJJRUZKDT-UHFFFAOYSA-N	-1	0	324.406	0.716	20	30		DCEDRM
COCC[C@](C)(C#N)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001599207444	997436232	/nfs/dbraw/zinc/43/62/32/997436232.db2.gz	MTJWUKLJIDJPPA-LLVKDONJSA-N	-1	0	301.324	0.310	20	30		DCEDRM
CO[C@@H]1CN(C(=O)c2cc(O)cc(C#N)c2)[C@@](C)(C(=O)[O-])C1	ZINC001599130686	997936971	/nfs/dbraw/zinc/93/69/71/997936971.db2.gz	POVIETUJXMCBAH-SWLSCSKDSA-N	-1	0	304.302	0.968	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001599350418	998083914	/nfs/dbraw/zinc/08/39/14/998083914.db2.gz	QDSJDQSCSCORJJ-UHFFFAOYSA-N	-1	0	309.303	0.166	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@H]1C	ZINC001511159268	1016195435	/nfs/dbraw/zinc/19/54/35/1016195435.db2.gz	JSVVUQJYVCKUTF-NWDGAFQWSA-N	-1	0	318.377	0.946	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NS(=O)(=O)CC1(C#N)CCCC1	ZINC001599150550	998289218	/nfs/dbraw/zinc/28/92/18/998289218.db2.gz	RFQCRALJYLVUQT-LBPRGKRZSA-N	-1	0	318.395	0.870	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N[C@@H](C)CC#N	ZINC001599367465	998358523	/nfs/dbraw/zinc/35/85/23/998358523.db2.gz	GKGZCYKLBVCLFQ-QMMMGPOBSA-N	-1	0	305.290	0.750	20	30		DCEDRM
COC[C@](C)(NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC001599155392	998362919	/nfs/dbraw/zinc/36/29/19/998362919.db2.gz	TWGUNYCXWZUZFF-ZDUSSCGKSA-N	-1	0	312.347	0.521	20	30		DCEDRM
COC[C@@H](C)NC(=S)NN=Cc1cc(C(=O)[O-])c(C)n1C	ZINC001599160440	998448484	/nfs/dbraw/zinc/44/84/84/998448484.db2.gz	PBIFRDNSAMKVAL-MRVPVSSYSA-N	-1	0	312.395	0.865	20	30		DCEDRM
COC(CN(CCC(=O)[O-])S(=O)(=O)CC1(C#N)CC1)OC	ZINC001599048348	999168325	/nfs/dbraw/zinc/16/83/25/999168325.db2.gz	QCTVPTOBGMIZSY-UHFFFAOYSA-N	-1	0	320.367	0.016	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)NCc2nc(C#N)cs2)C1	ZINC001599069524	999322096	/nfs/dbraw/zinc/32/20/96/999322096.db2.gz	CQZRCUIDHQDPHS-GFCCVEGCSA-N	-1	0	310.335	0.400	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)CSCC#N)c1[O-]	ZINC001505617306	1016360897	/nfs/dbraw/zinc/36/08/97/1016360897.db2.gz	VCDJEHGNCJGETG-VIFPVBQESA-N	-1	0	323.378	0.011	20	30		DCEDRM
CCN1C[C@H](S(=O)(=O)[N-]c2cccc(CC#N)n2)CC1=O	ZINC001424742298	1001968908	/nfs/dbraw/zinc/96/89/08/1001968908.db2.gz	IHLNZFQZGXMVRR-LLVKDONJSA-N	-1	0	308.363	0.510	20	30		DCEDRM
CC(C)(C)[C@@H](CNCC#N)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001507963643	1016605559	/nfs/dbraw/zinc/60/55/59/1016605559.db2.gz	OHPLIHVRNFNJFR-SNVBAGLBSA-N	-1	0	324.385	0.114	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)Nn2ccccc2=O)cc1C#N	ZINC001420919866	1003131577	/nfs/dbraw/zinc/13/15/77/1003131577.db2.gz	KVJCXTZYFODQGJ-UHFFFAOYSA-N	-1	0	302.315	0.926	20	30		DCEDRM
Cc1ccccc1[C@@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421081683	1003301411	/nfs/dbraw/zinc/30/14/11/1003301411.db2.gz	LPZKKTSQZCCPGM-LBPRGKRZSA-N	-1	0	300.318	0.399	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](CCC(C)(C)C)C(N)=O)c(C#N)c1=O	ZINC001421122133	1003345014	/nfs/dbraw/zinc/34/50/14/1003345014.db2.gz	NZODLVYKMXCTDV-VIFPVBQESA-N	-1	0	307.354	0.037	20	30		DCEDRM
Cc1ccc(F)c(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001417600105	1005849069	/nfs/dbraw/zinc/84/90/69/1005849069.db2.gz	VGXWSWWPDNHTCV-UHFFFAOYSA-N	-1	0	302.265	0.907	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](CC(C)C)NC(=O)[C@H](C)C#N)c1[O-]	ZINC001451761232	1006395546	/nfs/dbraw/zinc/39/55/46/1006395546.db2.gz	VOVOSDUHMBSSIX-KOLCDFICSA-N	-1	0	321.381	0.844	20	30		DCEDRM
C[C@@H](C#N)N(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001418390322	1006460162	/nfs/dbraw/zinc/46/01/62/1006460162.db2.gz	VPZONDIXDPHKEO-VIFPVBQESA-N	-1	0	301.306	0.114	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1nnn(C(C)(C)C)n1	ZINC001452625371	1006946712	/nfs/dbraw/zinc/94/67/12/1006946712.db2.gz	MTLDUZKSEKCVQH-UHFFFAOYSA-N	-1	0	315.337	0.639	20	30		DCEDRM
C=CCCSCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001452990565	1007184570	/nfs/dbraw/zinc/18/45/70/1007184570.db2.gz	WVHMUIMSSBDWRH-UHFFFAOYSA-N	-1	0	322.390	0.636	20	30		DCEDRM
N#CCc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001453839558	1008752741	/nfs/dbraw/zinc/75/27/41/1008752741.db2.gz	AFVQNCQCMPKINE-UHFFFAOYSA-N	-1	0	323.312	0.317	20	30		DCEDRM
COC(=O)C[C@@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CCO1	ZINC001433756043	1009149035	/nfs/dbraw/zinc/14/90/35/1009149035.db2.gz	ONFSBHAWLDBYQA-LLVKDONJSA-N	-1	0	319.317	0.371	20	30		DCEDRM
Cc1noc(C2CC2)c1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001433848257	1009254975	/nfs/dbraw/zinc/25/49/75/1009254975.db2.gz	ANOHJWAIKFPTLH-UHFFFAOYSA-N	-1	0	315.289	0.633	20	30		DCEDRM
C[C@H](c1ccncc1)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001442610197	1009519316	/nfs/dbraw/zinc/51/93/16/1009519316.db2.gz	LDKTYZHXGSAIIE-SNVBAGLBSA-N	-1	0	313.317	0.435	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN1C[C@H](C)OC[C@H]1C	ZINC001434171184	1009632023	/nfs/dbraw/zinc/63/20/23/1009632023.db2.gz	SVJBJYZDIQIMHP-NEPJUHHUSA-N	-1	0	318.377	0.806	20	30		DCEDRM
C[C@H](CC1CCC1)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434253979	1009699586	/nfs/dbraw/zinc/69/95/86/1009699586.db2.gz	YEWUDNFDRNOXNW-SNVBAGLBSA-N	-1	0	304.350	0.906	20	30		DCEDRM
CCS(=O)(CC)=NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434373578	1009851584	/nfs/dbraw/zinc/85/15/84/1009851584.db2.gz	CBHPRNNYDKANSH-UHFFFAOYSA-N	-1	0	312.351	0.245	20	30		DCEDRM
N#CCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001444325122	1010965356	/nfs/dbraw/zinc/96/53/56/1010965356.db2.gz	ADMRZCSUSPYQHU-UHFFFAOYSA-N	-1	0	301.306	0.115	20	30		DCEDRM
Cc1noc(C)c1N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001444714948	1011144226	/nfs/dbraw/zinc/14/42/26/1011144226.db2.gz	IUTHZUYUOUQOIU-UHFFFAOYSA-N	-1	0	303.278	0.088	20	30		DCEDRM
CC(C)[C@@]1(CO)CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001458393397	1012166634	/nfs/dbraw/zinc/16/66/34/1012166634.db2.gz	VHTWOVRXIDWJKF-HNNXBMFYSA-N	-1	0	306.366	0.180	20	30		DCEDRM
O=C(C=Cc1ccc(F)cc1)C(=O)NCCc1nc(=O)o[n-]1	ZINC001556410306	1012202815	/nfs/dbraw/zinc/20/28/15/1012202815.db2.gz	HNDBPKCIIZNWBZ-UTCJRWHESA-N	-1	0	305.265	0.443	20	30		DCEDRM
C/C(=C/C(C)(C)C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001557601625	1012284766	/nfs/dbraw/zinc/28/47/66/1012284766.db2.gz	WUSNNTHGODIPKF-YFHOEESVSA-N	-1	0	304.350	0.929	20	30		DCEDRM
C[C@H](C[C@H]1CCOC1)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001445987219	1012489523	/nfs/dbraw/zinc/48/95/23/1012489523.db2.gz	DCHWTMAECJCRLY-GHMZBOCLSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C=CCCC[C@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001564430770	1012520366	/nfs/dbraw/zinc/52/03/66/1012520366.db2.gz	UDUNEFUQJSHQTH-NSHDSACASA-N	-1	0	319.365	0.865	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(C(C)=O)CC1	ZINC001520454116	1017276097	/nfs/dbraw/zinc/27/60/97/1017276097.db2.gz	XURZDBLAWAMEHW-UHFFFAOYSA-N	-1	0	316.365	0.494	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)NCC2(CC#N)CC2)C[C@@H]1C(=O)[O-]	ZINC001606418497	1170193302	/nfs/dbraw/zinc/19/33/02/1170193302.db2.gz	MTEKADSKWUXGCR-UWVGGRQHSA-N	-1	0	309.322	0.195	20	30		DCEDRM
COC[C@](C)(NS(=O)(=O)c1ccc(C)cc1C#N)C(=O)[O-]	ZINC001606791683	1170290409	/nfs/dbraw/zinc/29/04/09/1170290409.db2.gz	OFUYLRPPGPSHCI-ZDUSSCGKSA-N	-1	0	312.347	0.635	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1sccc1C#N	ZINC001609834599	1171100140	/nfs/dbraw/zinc/10/01/40/1171100140.db2.gz	NFYZQNXLAPRCRS-IONNQARKSA-N	-1	0	307.331	0.880	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@H](CO)C(=O)[O-])cnc1C(F)(F)F	ZINC001610625135	1171271124	/nfs/dbraw/zinc/27/11/24/1171271124.db2.gz	IWBUEAFCQQJARH-SSDOTTSWSA-N	-1	0	303.196	0.147	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-]	ZINC001636622335	1171744060	/nfs/dbraw/zinc/74/40/60/1171744060.db2.gz	HRUHHIMZJJSOOD-JTQLQIEISA-N	-1	0	305.721	0.955	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cn1	ZINC000164951024	237113772	/nfs/dbraw/zinc/11/37/72/237113772.db2.gz	ARHNXODWWUHHHW-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
N#C[C@H]1CN(C(=O)CSc2n[n-]c(=S)s2)CCO1	ZINC000267066892	238218565	/nfs/dbraw/zinc/21/85/65/238218565.db2.gz	YIQGFZGIMHWFGN-LURJTMIESA-N	-1	0	302.406	0.670	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000420525373	240040748	/nfs/dbraw/zinc/04/07/48/240040748.db2.gz	FGKJKVXKYKMCEY-QWRGUYRKSA-N	-1	0	317.345	0.915	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000422685296	240177394	/nfs/dbraw/zinc/17/73/94/240177394.db2.gz	HYBTTXKKYUOPPE-HNNXBMFYSA-N	-1	0	319.292	0.959	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)NCCOCC(=O)[O-]	ZINC000568003079	291396622	/nfs/dbraw/zinc/39/66/22/291396622.db2.gz	WEPBLAVVPLGSDO-UHFFFAOYSA-N	-1	0	316.310	0.218	20	30		DCEDRM
COC[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000568001793	291396867	/nfs/dbraw/zinc/39/68/67/291396867.db2.gz	IEYJSVNMOPKEJM-NSHDSACASA-N	-1	0	316.310	0.216	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)cc1	ZINC000573578266	291641880	/nfs/dbraw/zinc/64/18/80/291641880.db2.gz	LLFYRSOHVJHODU-AAEUAGOBSA-N	-1	0	324.358	0.404	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000263556871	285003006	/nfs/dbraw/zinc/00/30/06/285003006.db2.gz	OWAZAFSWMHWDEE-QWRGUYRKSA-N	-1	0	305.400	0.802	20	30		DCEDRM
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)[N-]S(C)(=O)=O)C2=O	ZINC000048479508	395815643	/nfs/dbraw/zinc/81/56/43/395815643.db2.gz	RMXIDGLXSAIXMF-PELKAZGASA-N	-1	0	317.367	0.403	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)c1	ZINC000120443210	395882168	/nfs/dbraw/zinc/88/21/68/395882168.db2.gz	JSXNDMQBDNXRPX-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1c(C)nn(CC)c1C)C(=O)[O-]	ZINC000274874148	395983299	/nfs/dbraw/zinc/98/32/99/395983299.db2.gz	BHCGGCZGVJAYKC-SNVBAGLBSA-N	-1	0	301.368	0.827	20	30		DCEDRM
COCC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000261988276	396087466	/nfs/dbraw/zinc/08/74/66/396087466.db2.gz	SONGYDXWRINOTF-PWSUYJOCSA-N	-1	0	306.318	0.931	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(CCSC)CC(=O)[O-]	ZINC000594683823	396496552	/nfs/dbraw/zinc/49/65/52/396496552.db2.gz	ZAJZJSLFWXEPBA-SNVBAGLBSA-N	-1	0	323.440	0.462	20	30		DCEDRM
C=CCCSCCNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000594718696	396501213	/nfs/dbraw/zinc/50/12/13/396501213.db2.gz	AMYBJRJFOXXWHY-NSHDSACASA-N	-1	0	322.452	0.927	20	30		DCEDRM
C=CCCSCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000594718783	396501268	/nfs/dbraw/zinc/50/12/68/396501268.db2.gz	COXKCPLIFPQRTL-UHFFFAOYSA-N	-1	0	322.452	0.927	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000290737477	396471234	/nfs/dbraw/zinc/47/12/34/396471234.db2.gz	WTHBYKBAAVZJGK-LLVKDONJSA-N	-1	0	311.319	0.054	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)c1	ZINC000290763253	396471950	/nfs/dbraw/zinc/47/19/50/396471950.db2.gz	ZOQMFBJBANIPGS-UHFFFAOYSA-N	-1	0	309.347	0.829	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000291880124	396517825	/nfs/dbraw/zinc/51/78/25/396517825.db2.gz	MWDWNECZONABAM-UHFFFAOYSA-N	-1	0	316.310	0.419	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H](C)c1cnn(C)c1C)C(=O)[O-]	ZINC000581407130	396551679	/nfs/dbraw/zinc/55/16/79/396551679.db2.gz	XIOIZKPSIJEISC-JOYOIKCWSA-N	-1	0	310.354	0.745	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000581432601	396554724	/nfs/dbraw/zinc/55/47/24/396554724.db2.gz	DIZIRXAEFGFRMU-JGVFFNPUSA-N	-1	0	313.326	0.411	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC000595276066	396576895	/nfs/dbraw/zinc/57/68/95/396576895.db2.gz	KVKFQSKWESTLHW-AWEZNQCLSA-N	-1	0	307.350	0.510	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)NCCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000595275482	396576924	/nfs/dbraw/zinc/57/69/24/396576924.db2.gz	DZINPLHWAICSAK-JTQLQIEISA-N	-1	0	303.318	0.054	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000540999977	396610305	/nfs/dbraw/zinc/61/03/05/396610305.db2.gz	QQUNSPPRTZCYPH-SRVKXCTJSA-N	-1	0	302.396	0.665	20	30		DCEDRM
N#Cc1cc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)cc(N)c1[N+](=O)[O-]	ZINC000595977572	396702235	/nfs/dbraw/zinc/70/22/35/396702235.db2.gz	GZTWLXZWWFKZMC-DIMCTHFVSA-N	-1	0	306.278	0.685	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC000596025799	396709438	/nfs/dbraw/zinc/70/94/38/396709438.db2.gz	ADYCFSBFVWXPOJ-CYBMUJFWSA-N	-1	0	323.374	0.761	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)[O-]	ZINC000634654573	396893523	/nfs/dbraw/zinc/89/35/23/396893523.db2.gz	MPUNVSLBZGWQQW-LLVKDONJSA-N	-1	0	313.379	0.845	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-][C@H]2COCCC2=O)CCCCC1	ZINC000625493731	396895804	/nfs/dbraw/zinc/89/58/04/396895804.db2.gz	VUGYNJKZGOILRR-NSHDSACASA-N	-1	0	300.380	0.738	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1	ZINC000591568458	396930856	/nfs/dbraw/zinc/93/08/56/396930856.db2.gz	GTGHPOQXYCLFKR-MLGOLLRUSA-N	-1	0	321.377	0.852	20	30		DCEDRM
N#CCC1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1	ZINC000597497407	396990868	/nfs/dbraw/zinc/99/08/68/396990868.db2.gz	DYUWPTBIUUSMLA-UHFFFAOYSA-N	-1	0	323.374	0.805	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(CCC#N)CC2)C1	ZINC000592427920	397174151	/nfs/dbraw/zinc/17/41/51/397174151.db2.gz	YTKKOYZEURIGOD-INIZCTEOSA-N	-1	0	321.377	0.852	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCC[C@@H]2C2CC2)c(=O)[n-]c1=O	ZINC000602090427	397298561	/nfs/dbraw/zinc/29/85/61/397298561.db2.gz	AFZYZGKLSDUDQI-GFCCVEGCSA-N	-1	0	302.334	0.612	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC3(CC3)c3ccccc32)c(=O)[n-]c1=O	ZINC000602113228	397306314	/nfs/dbraw/zinc/30/63/14/397306314.db2.gz	VIECSHLRTSJZQZ-UHFFFAOYSA-N	-1	0	322.324	0.899	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)NCC(C)(C)CC(=O)[O-]	ZINC000593257155	397342484	/nfs/dbraw/zinc/34/24/84/397342484.db2.gz	SEXGBHDJOBYMNM-UHFFFAOYSA-N	-1	0	321.399	0.184	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-]	ZINC000577615418	397345640	/nfs/dbraw/zinc/34/56/40/397345640.db2.gz	MLQQGXVKLKJOTC-QWRGUYRKSA-N	-1	0	305.400	0.896	20	30		DCEDRM
CC(C)(C)OC[C@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000593271857	397346758	/nfs/dbraw/zinc/34/67/58/397346758.db2.gz	GVLYXZHDJZSXRT-JTQLQIEISA-N	-1	0	318.395	0.868	20	30		DCEDRM
CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1	ZINC000578446117	397437879	/nfs/dbraw/zinc/43/78/79/397437879.db2.gz	GFMLSLCPDODIBP-NSHDSACASA-N	-1	0	317.411	0.899	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)CSc1n[n-]c(=S)s1	ZINC000491691870	397503219	/nfs/dbraw/zinc/50/32/19/397503219.db2.gz	HNKPKOPAEHNIMH-SSDOTTSWSA-N	-1	0	301.418	0.780	20	30		DCEDRM
CC(C)(C)OC(=O)NCC1(C=NNCC(=O)[O-])CCOCC1	ZINC000495652236	397551399	/nfs/dbraw/zinc/55/13/99/397551399.db2.gz	OTHKLLOCHXPBHE-UHFFFAOYSA-N	-1	0	315.370	0.968	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)CCc1cccs1)C(=O)[O-]	ZINC000579227259	397536415	/nfs/dbraw/zinc/53/64/15/397536415.db2.gz	XZZBKJQAWTWTEQ-LLVKDONJSA-N	-1	0	319.404	0.866	20	30		DCEDRM
N#Cc1nc(NC(=O)Cn2ncc(=O)c3ccccc32)[n-]c1C#N	ZINC000075555265	158062302	/nfs/dbraw/zinc/06/23/02/158062302.db2.gz	ZPELYRICVFZDAT-UHFFFAOYSA-N	-1	0	319.284	0.502	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1	ZINC000114673528	158156254	/nfs/dbraw/zinc/15/62/54/158156254.db2.gz	CWPFHLIAKOMPTI-UHFFFAOYSA-N	-1	0	319.346	0.349	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2ncc(C#N)s2)cc1C(N)=O	ZINC000610725641	412471449	/nfs/dbraw/zinc/47/14/49/412471449.db2.gz	XZEWTAKPKNGHCO-UHFFFAOYSA-N	-1	0	311.348	0.253	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000037838200	415192554	/nfs/dbraw/zinc/19/25/54/415192554.db2.gz	SSUCOAARSBBGDM-QWRGUYRKSA-N	-1	0	303.384	0.509	20	30		DCEDRM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccn2)cn1C	ZINC000352858162	415347465	/nfs/dbraw/zinc/34/74/65/415347465.db2.gz	LWMQKPBQRKDBFW-UHFFFAOYSA-N	-1	0	319.346	0.452	20	30		DCEDRM
CCc1ccc(C#CC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1	ZINC000295026598	415875861	/nfs/dbraw/zinc/87/58/61/415875861.db2.gz	XAMMNKOVQLRDFW-UHFFFAOYSA-N	-1	0	322.386	0.183	20	30		DCEDRM
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@H]1C#N	ZINC000355453942	415861672	/nfs/dbraw/zinc/86/16/72/415861672.db2.gz	IXUJICCUXNJISJ-GFCCVEGCSA-N	-1	0	324.358	0.860	20	30		DCEDRM
CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000357377688	416069101	/nfs/dbraw/zinc/06/91/01/416069101.db2.gz	ZBSYUKKKNFIKAH-UHFFFAOYSA-N	-1	0	317.330	0.529	20	30		DCEDRM
Cn1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)c(=O)n(C)c1=O	ZINC000357570329	416099112	/nfs/dbraw/zinc/09/91/12/416099112.db2.gz	SSIDYHQBPDEVOT-SNAWJCMRSA-N	-1	0	312.285	0.219	20	30		DCEDRM
Cn1nc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1OC(F)F	ZINC000340977927	416200138	/nfs/dbraw/zinc/20/01/38/416200138.db2.gz	NMGUWNUYCXAAII-UHFFFAOYSA-N	-1	0	318.261	1.287	20	30		DCEDRM
COC(=O)[C@@H]1CN(C([O-])=Nc2c(C)ccn(C)c2=O)CCO1	ZINC000330983239	416251129	/nfs/dbraw/zinc/25/11/29/416251129.db2.gz	JYNRPXZEZJVSNE-JTQLQIEISA-N	-1	0	309.322	0.113	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000342163603	416288957	/nfs/dbraw/zinc/28/89/57/416288957.db2.gz	OAPNVTDCWADJCN-VIFPVBQESA-N	-1	0	318.333	0.659	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000263450016	416338251	/nfs/dbraw/zinc/33/82/51/416338251.db2.gz	AFCVZPHQGGUAPS-WCQYABFASA-N	-1	0	315.395	0.653	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cn1	ZINC000195438443	416326371	/nfs/dbraw/zinc/32/63/71/416326371.db2.gz	CQIKTDGEJDCTCA-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2ccc(C#N)cn2)C1=O	ZINC000416445664	416369808	/nfs/dbraw/zinc/36/98/08/416369808.db2.gz	MIJRZYDLZLNOAX-DGCLKSJQSA-N	-1	0	302.334	1.075	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422707649	416448301	/nfs/dbraw/zinc/44/83/01/416448301.db2.gz	WVAIPBDDGHAIIM-GHMZBOCLSA-N	-1	0	309.366	0.612	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000361999152	416542957	/nfs/dbraw/zinc/54/29/57/416542957.db2.gz	HYAAVNMOVUMLHG-QMMMGPOBSA-N	-1	0	300.311	0.980	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000491556898	416605653	/nfs/dbraw/zinc/60/56/53/416605653.db2.gz	ZMDKTYGGFOCUOC-SNVBAGLBSA-N	-1	0	302.286	0.184	20	30		DCEDRM
CC(C)Oc1cncc([N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000594578600	416566538	/nfs/dbraw/zinc/56/65/38/416566538.db2.gz	HKZQJAFSRFVLGE-UHFFFAOYSA-N	-1	0	308.319	1.529	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000490923308	416579901	/nfs/dbraw/zinc/57/99/01/416579901.db2.gz	KAEBRZUOCJIELU-UHFFFAOYSA-N	-1	0	323.286	0.440	20	30		DCEDRM
C=CCCCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424456738	416648802	/nfs/dbraw/zinc/64/88/02/416648802.db2.gz	XDBPEDVAOSLDGP-SNVBAGLBSA-N	-1	0	304.368	0.236	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000516475459	416724315	/nfs/dbraw/zinc/72/43/15/416724315.db2.gz	IMFSIKRTUKUYSL-OTCDBFHCSA-N	-1	0	312.322	0.980	20	30		DCEDRM
CCOC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000558642885	416782970	/nfs/dbraw/zinc/78/29/70/416782970.db2.gz	RQIMCBYLUDHLOP-SNVBAGLBSA-N	-1	0	316.310	0.465	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000563624538	416884095	/nfs/dbraw/zinc/88/40/95/416884095.db2.gz	INGDVTVYGAVTQZ-WDEREUQCSA-N	-1	0	315.395	0.652	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCC[C@]1(C)C(=O)[O-]	ZINC000565058478	416917618	/nfs/dbraw/zinc/91/76/18/416917618.db2.gz	XSNGPHUEMOWAOK-MDZLAQPJSA-N	-1	0	317.411	0.946	20	30		DCEDRM
C[C@@H]([C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-])C1CC1	ZINC000568889875	417190532	/nfs/dbraw/zinc/19/05/32/417190532.db2.gz	YCQVMUVYBONRNI-IQJOONFLSA-N	-1	0	303.384	0.554	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000569811478	417295627	/nfs/dbraw/zinc/29/56/27/417295627.db2.gz	ZMQYSEDCIVNUTJ-SNVBAGLBSA-N	-1	0	303.384	0.652	20	30		DCEDRM
COC(=O)C[C@]1(NS(=O)(=O)CC(C)(C)CC#N)CCOC1	ZINC000451396717	417341840	/nfs/dbraw/zinc/34/18/40/417341840.db2.gz	BILCCRCIIYBUPE-CYBMUJFWSA-N	-1	0	318.395	0.568	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000627679052	417485591	/nfs/dbraw/zinc/48/55/91/417485591.db2.gz	GALYWQYCYXGARE-NSHDSACASA-N	-1	0	313.379	0.510	20	30		DCEDRM
CC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000576807535	417637448	/nfs/dbraw/zinc/63/74/48/417637448.db2.gz	KXEDGAHUIJJCDB-LLVKDONJSA-N	-1	0	300.311	0.980	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)CCc1scnc1C)C(=O)[O-]	ZINC000646041053	417859241	/nfs/dbraw/zinc/85/92/41/417859241.db2.gz	LNUJMQRAKDTTJM-VIFPVBQESA-N	-1	0	304.393	0.943	20	30		DCEDRM
C=CCCCS(=O)(=O)N1Cc2nnc(C)n2C[C@@H]1C(=O)[O-]	ZINC000663253249	418005031	/nfs/dbraw/zinc/00/50/31/418005031.db2.gz	RORWNFMECPHCCB-SNVBAGLBSA-N	-1	0	314.367	0.151	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC000653532577	418085718	/nfs/dbraw/zinc/08/57/18/418085718.db2.gz	WIHFSZKKQXVSMN-VIFPVBQESA-N	-1	0	310.358	0.647	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)c1ccccc1[N-]S(=O)(=O)CC	ZINC000649189067	418207042	/nfs/dbraw/zinc/20/70/42/418207042.db2.gz	XYCKYJAYVUZJMW-GFCCVEGCSA-N	-1	0	324.402	0.952	20	30		DCEDRM
C=CCn1cc(C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)nn1	ZINC000649244242	418213749	/nfs/dbraw/zinc/21/37/49/418213749.db2.gz	UUXKDXGMOXKNEW-UHFFFAOYSA-N	-1	0	312.329	0.816	20	30		DCEDRM
C=CCOCCCNS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC000656724040	418373082	/nfs/dbraw/zinc/37/30/82/418373082.db2.gz	OAHZJBGQWUKNLC-UHFFFAOYSA-N	-1	0	300.336	0.651	20	30		DCEDRM
COc1ccccc1C(=O)NCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000354575813	261239856	/nfs/dbraw/zinc/23/98/56/261239856.db2.gz	VALCYBOXLVRSMQ-UHFFFAOYSA-N	-1	0	324.300	0.530	20	30		DCEDRM
CCOC(=O)CN(CCOC)C(=O)c1ccc(C#N)c(O)c1	ZINC000442645888	267116541	/nfs/dbraw/zinc/11/65/41/267116541.db2.gz	JQZHIOMIMNBBMQ-UHFFFAOYSA-N	-1	0	306.318	0.916	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)[N-]O[C@H]2CCCCO2)cc1	ZINC000263722745	268032773	/nfs/dbraw/zinc/03/27/73/268032773.db2.gz	FXCOXYMIVMSFCT-AWEZNQCLSA-N	-1	0	303.318	0.862	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)c1cccc(C)c1C#N)CC(=O)[O-]	ZINC000530540794	272745526	/nfs/dbraw/zinc/74/55/26/272745526.db2.gz	CJLWPQTVGLXKMS-JTQLQIEISA-N	-1	0	312.347	0.635	20	30		DCEDRM
N#Cc1cccc(CN(CC(=O)[O-])S(=O)(=O)[C@@H]2CCOC2)c1	ZINC000548243688	288124695	/nfs/dbraw/zinc/12/46/95/288124695.db2.gz	AXZIXPHWXUXVIS-CYBMUJFWSA-N	-1	0	324.358	0.564	20	30		DCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCOC[C@@H]1C#N	ZINC000194204294	280291709	/nfs/dbraw/zinc/29/17/09/280291709.db2.gz	HRZTTYGBLCRQTJ-IUCAKERBSA-N	-1	0	307.272	0.440	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C	ZINC000263106321	297955103	/nfs/dbraw/zinc/95/51/03/297955103.db2.gz	KOVGAUWOJWGMGO-OUAUKWLOSA-N	-1	0	303.384	0.508	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000422665236	301487548	/nfs/dbraw/zinc/48/75/48/301487548.db2.gz	VVFHRTVEOLFEOH-GFCCVEGCSA-N	-1	0	301.302	0.881	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])s1	ZINC000230326058	303197851	/nfs/dbraw/zinc/19/78/51/303197851.db2.gz	QJPSKPBDAFYVAV-MRVPVSSYSA-N	-1	0	316.360	0.484	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])s1	ZINC000230325548	303197860	/nfs/dbraw/zinc/19/78/60/303197860.db2.gz	NMSWNSBEDCQFEM-MRVPVSSYSA-N	-1	0	302.333	0.094	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)N(CCC)CCC)C(=O)[O-]	ZINC000570799189	332817334	/nfs/dbraw/zinc/81/73/34/332817334.db2.gz	SMSNKIJIUJWCCZ-LLVKDONJSA-N	-1	0	308.400	0.599	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(C)(C)[C@H]1C(=O)[O-]	ZINC000570805871	332819821	/nfs/dbraw/zinc/81/98/21/332819821.db2.gz	PWKUCQIEUILURO-NXEZZACHSA-N	-1	0	303.384	0.650	20	30		DCEDRM
C=CCSCCNS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC000518527899	332074420	/nfs/dbraw/zinc/07/44/20/332074420.db2.gz	LNDVSUDUFUUEDZ-UHFFFAOYSA-N	-1	0	302.377	0.977	20	30		DCEDRM
C=CCCS(=O)(=O)N1CC[C@H]([C@@H]2CCCO2)[C@H]1C(=O)[O-]	ZINC000560480043	332344231	/nfs/dbraw/zinc/34/42/31/332344231.db2.gz	LXRNTPUUOWXDFO-WOPDTQHZSA-N	-1	0	303.380	0.846	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000562554590	332603643	/nfs/dbraw/zinc/60/36/43/332603643.db2.gz	OFYIUMDSTBZIET-PWSUYJOCSA-N	-1	0	307.375	0.942	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cc1C(N)=O	ZINC000531906915	334282599	/nfs/dbraw/zinc/28/25/99/334282599.db2.gz	CWEWLLXWLCTSAI-UHFFFAOYSA-N	-1	0	319.346	0.386	20	30		DCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000048518853	334287296	/nfs/dbraw/zinc/28/72/96/334287296.db2.gz	WPWVWHKINRLNFR-UHFFFAOYSA-N	-1	0	304.299	0.968	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(C)(C)[C@@H]1C(=O)[O-]	ZINC000582364209	336943699	/nfs/dbraw/zinc/94/36/99/336943699.db2.gz	YCXGXZQPCNPSJB-MNOVXSKESA-N	-1	0	317.411	0.898	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1	ZINC000582941191	337220164	/nfs/dbraw/zinc/22/01/64/337220164.db2.gz	RFEIIFPALCOQOO-AAEUAGOBSA-N	-1	0	303.380	0.706	20	30		DCEDRM
CCn1cc([N-]S(=O)(=O)CCC(C)(C)C#N)c(C(N)=O)n1	ZINC000572247638	337598672	/nfs/dbraw/zinc/59/86/72/337598672.db2.gz	IAEMGKIMWBQTKT-UHFFFAOYSA-N	-1	0	313.383	0.683	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000422940665	337692680	/nfs/dbraw/zinc/69/26/80/337692680.db2.gz	TXSLIDMQJADBQW-MEDUHNTESA-N	-1	0	321.377	0.708	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000424364875	337827191	/nfs/dbraw/zinc/82/71/91/337827191.db2.gz	FKCHVAZUHMAIHJ-MXWKQRLJSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000424480145	337837570	/nfs/dbraw/zinc/83/75/70/337837570.db2.gz	FZAPEYZKFOIBDS-SRVKXCTJSA-N	-1	0	310.350	0.017	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)OC)cc1	ZINC000490651420	339836619	/nfs/dbraw/zinc/83/66/19/339836619.db2.gz	KJVLKDNFHPPMAV-LBPRGKRZSA-N	-1	0	319.317	0.950	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(C(=O)NC)cc1	ZINC000493316610	339922926	/nfs/dbraw/zinc/92/29/26/339922926.db2.gz	HUNLINLMNQHTNW-JXMROGBWSA-N	-1	0	320.370	0.529	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)c1[nH]c(=O)[nH]c(=O)c1N	ZINC000073559452	341118221	/nfs/dbraw/zinc/11/82/21/341118221.db2.gz	BVWCCSFUZWZHKK-UHFFFAOYSA-N	-1	0	316.317	0.140	20	30		DCEDRM
CCOCCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)N(C)CCC#N	ZINC000548565613	341266062	/nfs/dbraw/zinc/26/60/62/341266062.db2.gz	QLPMNCKPGMLGKU-LLVKDONJSA-N	-1	0	321.399	0.136	20	30		DCEDRM
Cc1ccc(-n2[n-]c(C(=O)N3CC(O)(CC#N)C3)cc2=O)cc1	ZINC000548658904	341268977	/nfs/dbraw/zinc/26/89/77/341268977.db2.gz	HIJOFPBAAONIPC-UHFFFAOYSA-N	-1	0	312.329	0.575	20	30		DCEDRM
CN(C1(C(=O)[O-])CCOCC1)S(=O)(=O)CC1(CC#N)CC1	ZINC000568002314	341645015	/nfs/dbraw/zinc/64/50/15/341645015.db2.gz	YVGGDABGMRCTPJ-UHFFFAOYSA-N	-1	0	316.379	0.576	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1C	ZINC000574503521	341760514	/nfs/dbraw/zinc/76/05/14/341760514.db2.gz	KZZYZGCKFNVQCM-NSHDSACASA-N	-1	0	301.368	0.740	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)N1CCC(O)(c2nnn[n-]2)CC1)OCC	ZINC001568081642	1160574909	/nfs/dbraw/zinc/57/49/09/1160574909.db2.gz	LQPWJOXPUBFQAO-LLVKDONJSA-N	-1	0	309.370	0.381	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](CCC)S(N)(=O)=O)C(=O)[O-]	ZINC001573308519	1161556205	/nfs/dbraw/zinc/55/62/05/1161556205.db2.gz	YMLPWXWUNJQOBI-YUMQZZPRSA-N	-1	0	312.775	0.156	20	30		DCEDRM
CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000228698888	523547403	/nfs/dbraw/zinc/54/74/03/523547403.db2.gz	MLLIZPUBDXSNTC-CYBMUJFWSA-N	-1	0	309.347	0.971	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)NC(=O)C1CCCC1)C(=O)[O-]	ZINC000263040877	526806692	/nfs/dbraw/zinc/80/66/92/526806692.db2.gz	PGJJZGRNVKHMHB-JQWIXIFHSA-N	-1	0	312.366	0.453	20	30		DCEDRM
C=CCOc1cccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000355976867	526910042	/nfs/dbraw/zinc/91/00/42/526910042.db2.gz	IKXFPUPUKLAXMK-UHFFFAOYSA-N	-1	0	317.305	0.330	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000281290382	527377173	/nfs/dbraw/zinc/37/71/73/527377173.db2.gz	FIXCIEGHBBMAIR-RYUDHWBXSA-N	-1	0	314.382	0.699	20	30		DCEDRM
C=CCC[C@@H](NC(=O)Cn1cnc2sccc2c1=O)C(=O)[O-]	ZINC000262978949	527438548	/nfs/dbraw/zinc/43/85/48/527438548.db2.gz	UEOZHOZIANUCHW-SNVBAGLBSA-N	-1	0	321.358	0.994	20	30		DCEDRM
C=CCN(C(=O)C(=O)[O-])[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000360408977	527531874	/nfs/dbraw/zinc/53/18/74/527531874.db2.gz	SPGDDZWXAIQZPW-JTQLQIEISA-N	-1	0	301.306	0.823	20	30		DCEDRM
N#Cc1ccc(-c2nnc(Cn3cnc(-c4nnn[n-]4)n3)o2)cc1	ZINC000737709962	599163412	/nfs/dbraw/zinc/16/34/12/599163412.db2.gz	OZCRWIOIZWQGIO-UHFFFAOYSA-N	-1	0	320.276	0.428	20	30		DCEDRM
CN(CC(=O)[O-])CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1	ZINC000737988313	596902941	/nfs/dbraw/zinc/90/29/41/596902941.db2.gz	NHMBADDMQSDXKL-SNVBAGLBSA-N	-1	0	314.301	0.528	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(Cc2ccncc2)CC1	ZINC000819824260	597629367	/nfs/dbraw/zinc/62/93/67/597629367.db2.gz	XZDCJSSGROLGKQ-INIZCTEOSA-N	-1	0	316.361	0.730	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC(=O)N1CCCCCC1	ZINC000819832683	597641238	/nfs/dbraw/zinc/64/12/38/597641238.db2.gz	CLASANJVVDJUJZ-HNNXBMFYSA-N	-1	0	309.366	0.900	20	30		DCEDRM
CCOC(=O)N1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820369075	597641743	/nfs/dbraw/zinc/64/17/43/597641743.db2.gz	MYQXDFMDQOJORX-AWEZNQCLSA-N	-1	0	311.338	0.682	20	30		DCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)N1CCCC[C@H]1C	ZINC000820114550	597643246	/nfs/dbraw/zinc/64/32/46/597643246.db2.gz	PGAFQAFETNGICY-JRPNMDOOSA-N	-1	0	309.366	0.897	20	30		DCEDRM
Cc1nc([C@@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2)n[nH]1	ZINC000821152514	597652252	/nfs/dbraw/zinc/65/22/52/597652252.db2.gz	DGZFYMBRKDRNDG-TVQRCGJNSA-N	-1	0	307.310	0.018	20	30		DCEDRM
Cn1cc([C@@]2(C)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2)cn1	ZINC000821287119	597657881	/nfs/dbraw/zinc/65/78/81/597657881.db2.gz	FCRZEVQRPGMFDK-HUUCEWRRSA-N	-1	0	320.349	0.499	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CN(c2ccc(F)cc2)C1=O	ZINC000819834817	597725809	/nfs/dbraw/zinc/72/58/09/597725809.db2.gz	PIGTXOXYJCXADB-IAQYHMDHSA-N	-1	0	319.292	0.662	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2cccnn2)CC1	ZINC000819823061	598225949	/nfs/dbraw/zinc/22/59/49/598225949.db2.gz	RNMJLAWCUIBZPV-AWEZNQCLSA-N	-1	0	303.322	0.130	20	30		DCEDRM
CCc1nnc2n1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000820503970	598226116	/nfs/dbraw/zinc/22/61/16/598226116.db2.gz	MKTMPQVWUBAEIU-OTYXRUKQSA-N	-1	0	305.338	0.276	20	30		DCEDRM
CO[C@H](C)c1noc(CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000820696301	598229554	/nfs/dbraw/zinc/22/95/54/598229554.db2.gz	BOAAJAXYBTZIDM-OQPBUACISA-N	-1	0	310.310	0.740	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CC(=O)OCc1ccccc1	ZINC000737705022	598492576	/nfs/dbraw/zinc/49/25/76/598492576.db2.gz	JMWFFEXYRAOPAI-UHFFFAOYSA-N	-1	0	324.304	0.260	20	30		DCEDRM
N#Cc1ccc(OCCn2cccc(-c3nnn[n-]3)c2=O)cc1	ZINC000737722512	598677924	/nfs/dbraw/zinc/67/79/24/598677924.db2.gz	VTIOQIBLHPAHSP-UHFFFAOYSA-N	-1	0	308.301	0.979	20	30		DCEDRM
N#Cc1nc(NC(=O)CC[C@H]2CCCCO2)[n-]c1-c1nn[nH]n1	ZINC000737705230	598718760	/nfs/dbraw/zinc/71/87/60/598718760.db2.gz	MBGXYOYYXDBDMJ-MRVPVSSYSA-N	-1	0	316.325	0.749	20	30		DCEDRM
CC(C)(NC(=O)[O-])C(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000736327017	599727384	/nfs/dbraw/zinc/72/73/84/599727384.db2.gz	YZVWFDYGXIQVLP-UHFFFAOYSA-N	-1	0	317.349	0.648	20	30		DCEDRM
C#CCCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC000736077153	599774612	/nfs/dbraw/zinc/77/46/12/599774612.db2.gz	NFYGIPMVWZQICZ-UHFFFAOYSA-N	-1	0	312.347	0.307	20	30		DCEDRM
CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@@H]1c1cnn2ccccc12	ZINC000736125630	599849257	/nfs/dbraw/zinc/84/92/57/599849257.db2.gz	JPVQMEWGWHECDD-LLVKDONJSA-N	-1	0	316.342	0.781	20	30		DCEDRM
N#C[C@@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000739069847	599955917	/nfs/dbraw/zinc/95/59/17/599955917.db2.gz	ULFYRCUNTSMEQT-MRVPVSSYSA-N	-1	0	322.233	0.930	20	30		DCEDRM
C[C@H](C(=O)Nc1ccccc1C#N)N1CCO[C@@H](C(=O)[O-])C1	ZINC000736218284	599972278	/nfs/dbraw/zinc/97/22/78/599972278.db2.gz	MKOVDZWLJAWPHA-ZWNOBZJWSA-N	-1	0	303.318	0.671	20	30		DCEDRM
C#CCNC(=O)COC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC000736075755	599986080	/nfs/dbraw/zinc/98/60/80/599986080.db2.gz	GHHQFCIHJHLYQO-UHFFFAOYSA-N	-1	0	320.301	0.059	20	30		DCEDRM
COC(=O)CN(CCC(=O)Nc1ccccc1C#N)CC(=O)[O-]	ZINC000737620282	600013682	/nfs/dbraw/zinc/01/36/82/600013682.db2.gz	UIOWPGUOQUKTGX-UHFFFAOYSA-N	-1	0	319.317	0.446	20	30		DCEDRM
N#Cc1ccc(CN2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cc1	ZINC000739119307	600105070	/nfs/dbraw/zinc/10/50/70/600105070.db2.gz	YSNGJEVFIAODRV-GJZGRUSLSA-N	-1	0	313.357	0.923	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN[C@](CC)(C(=O)[O-])c1ccccc1	ZINC000736106007	600127873	/nfs/dbraw/zinc/12/78/73/600127873.db2.gz	QGULACFIQTZXLG-INIZCTEOSA-N	-1	0	319.361	0.978	20	30		DCEDRM
C=CCN1C(=O)C(=O)N(CC(=O)c2cc(C(=O)[O-])co2)C1=O	ZINC000736107544	600146346	/nfs/dbraw/zinc/14/63/46/600146346.db2.gz	XZJMOKVDVWIPQC-UHFFFAOYSA-N	-1	0	306.230	0.137	20	30		DCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C(C)C	ZINC000736380562	600211660	/nfs/dbraw/zinc/21/16/60/600211660.db2.gz	HGDJSIBHZRKAAU-BXUZGUMPSA-N	-1	0	313.354	0.876	20	30		DCEDRM
CCO[C@H](C)c1noc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)n1	ZINC000737157901	600245794	/nfs/dbraw/zinc/24/57/94/600245794.db2.gz	OWDUCLPTNMYPTI-MRVPVSSYSA-N	-1	0	318.289	0.947	20	30		DCEDRM
C=CC[C@@H](C)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC000736096471	600271827	/nfs/dbraw/zinc/27/18/27/600271827.db2.gz	NKNAMXHXXXSCGI-MFKMUULPSA-N	-1	0	318.329	0.946	20	30		DCEDRM
CCC[C@@](C)(NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000736955037	600387972	/nfs/dbraw/zinc/38/79/72/600387972.db2.gz	XNAQSPSZYKFBHX-WIDZWVOGSA-N	-1	0	323.349	0.663	20	30		DCEDRM
Cc1ccc(N2C[C@H](C(=O)N(CC#N)CC(=O)[O-])CC2=O)cc1	ZINC000738608421	600403245	/nfs/dbraw/zinc/40/32/45/600403245.db2.gz	OAYLVUQPKXFGRJ-GFCCVEGCSA-N	-1	0	315.329	0.785	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCNC(=O)Cc1ccccc1	ZINC000739077080	600404604	/nfs/dbraw/zinc/40/46/04/600404604.db2.gz	HIBFWMSPKQISJU-UHFFFAOYSA-N	-1	0	303.318	0.172	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CN1C(=O)CCc2ccccc21	ZINC000739077179	600408202	/nfs/dbraw/zinc/40/82/02/600408202.db2.gz	JWLWPZYJZVDVFC-UHFFFAOYSA-N	-1	0	301.302	0.403	20	30		DCEDRM
COc1cc(C)c(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1C	ZINC000737866488	600764410	/nfs/dbraw/zinc/76/44/10/600764410.db2.gz	BXYREZYHUBWZOG-UHFFFAOYSA-N	-1	0	312.347	0.911	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(F)c1F	ZINC000739085759	600764795	/nfs/dbraw/zinc/76/47/95/600764795.db2.gz	KJXQHPKEROFYRE-UHFFFAOYSA-N	-1	0	308.237	0.703	20	30		DCEDRM
COc1cc(Cl)ccc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC000737888733	600796002	/nfs/dbraw/zinc/79/60/02/600796002.db2.gz	HJSFFWHTKVCYDL-UHFFFAOYSA-N	-1	0	318.738	0.947	20	30		DCEDRM
CN(CC(=O)N(CC#N)CC(=O)[O-])c1ccccc1[N+](=O)[O-]	ZINC000830660909	600891050	/nfs/dbraw/zinc/89/10/50/600891050.db2.gz	IQKMZLSSAFKPGG-UHFFFAOYSA-N	-1	0	306.278	0.468	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC000825620296	600893946	/nfs/dbraw/zinc/89/39/46/600893946.db2.gz	ZULWISKICYKMMN-SECBINFHSA-N	-1	0	306.318	0.952	20	30		DCEDRM
Cc1nc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])n(-c2ccc(C#N)cc2)n1	ZINC000738865106	601021298	/nfs/dbraw/zinc/02/12/98/601021298.db2.gz	UYEUPWPORIRBDA-VXGBXAGGSA-N	-1	0	311.301	0.529	20	30		DCEDRM
COCc1ccc(CNC(=O)CN(CC#N)CC(=O)[O-])cc1	ZINC000831813292	601226673	/nfs/dbraw/zinc/22/66/73/601226673.db2.gz	YHWNHMDLHJABTE-UHFFFAOYSA-N	-1	0	305.334	0.359	20	30		DCEDRM
COC(=O)CN(CC#N)CC(=O)N(C)c1ccccc1C(=O)[O-]	ZINC000831164394	601242111	/nfs/dbraw/zinc/24/21/11/601242111.db2.gz	NAMAJTHGQNHSGT-UHFFFAOYSA-N	-1	0	319.317	0.346	20	30		DCEDRM
C#CCN(CC)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC000825614083	601242706	/nfs/dbraw/zinc/24/27/06/601242706.db2.gz	DHEAIEWIFRBJII-UHFFFAOYSA-N	-1	0	317.345	0.917	20	30		DCEDRM
N#CCCCCS(=O)(=O)NC1(CC(=O)[O-])CCOCC1	ZINC000833065866	601270140	/nfs/dbraw/zinc/27/01/40/601270140.db2.gz	OELXPOCRPWWQSN-UHFFFAOYSA-N	-1	0	304.368	0.624	20	30		DCEDRM
COCCCNC(=O)CN(C)[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000831696569	601312784	/nfs/dbraw/zinc/31/27/84/601312784.db2.gz	AGRSXIVYOSXEKA-OAHLLOKOSA-N	-1	0	319.361	0.768	20	30		DCEDRM
C[C@H](OC(=O)c1cc(C#N)c[nH]1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000827843101	601430674	/nfs/dbraw/zinc/43/06/74/601430674.db2.gz	CZFXWGHWANQTED-VIFPVBQESA-N	-1	0	319.317	0.755	20	30		DCEDRM
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@H](CC(=O)[O-])C1	ZINC000825996121	601456533	/nfs/dbraw/zinc/45/65/33/601456533.db2.gz	VWTUZENTQMVSKH-CHWSQXEVSA-N	-1	0	323.393	0.893	20	30		DCEDRM
C#CCOc1ccccc1CNS(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC000825631724	601791126	/nfs/dbraw/zinc/79/11/26/601791126.db2.gz	KSDSEUPVTPSBAM-NSHDSACASA-N	-1	0	311.359	0.839	20	30		DCEDRM
CNC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000831000425	601843857	/nfs/dbraw/zinc/84/38/57/601843857.db2.gz	FYSKETCGCZBKKS-CYBMUJFWSA-N	-1	0	302.334	0.641	20	30		DCEDRM
Cc1cc(F)c(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1F	ZINC000832887261	601882999	/nfs/dbraw/zinc/88/29/99/601882999.db2.gz	LTLYBJLEQSSTCO-UHFFFAOYSA-N	-1	0	304.274	0.872	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CCO1	ZINC000738421071	602127215	/nfs/dbraw/zinc/12/72/15/602127215.db2.gz	APMAXMLQUWUDII-LBPRGKRZSA-N	-1	0	317.301	0.003	20	30		DCEDRM
C[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H]1C(=O)[O-]	ZINC000828310372	602396145	/nfs/dbraw/zinc/39/61/45/602396145.db2.gz	LLCMMNNPEKBTJR-JQWIXIFHSA-N	-1	0	301.298	0.946	20	30		DCEDRM
C[C@H](CC(=O)N(CCC#N)CCN1CCOCC1)NC(=O)[O-]	ZINC000824558537	602779006	/nfs/dbraw/zinc/77/90/06/602779006.db2.gz	RPGIJUFFMIVGEA-GFCCVEGCSA-N	-1	0	312.370	0.107	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@H](CNC(=O)[O-])c2ccccc2)CCO1	ZINC000831076178	602872820	/nfs/dbraw/zinc/87/28/20/602872820.db2.gz	HKFKKDGDXVGIAV-CHWSQXEVSA-N	-1	0	303.318	0.789	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)CN(CC2CC2)C(=O)[O-])CCN1C1CC1	ZINC000831075806	602919401	/nfs/dbraw/zinc/91/94/01/602919401.db2.gz	DCQLAERRGDZZMD-CYBMUJFWSA-N	-1	0	306.366	0.575	20	30		DCEDRM
COC(=O)[C@@H](OC(=O)CCNC(=O)[O-])c1ccc(C#N)cc1	ZINC000737575979	603110927	/nfs/dbraw/zinc/11/09/27/603110927.db2.gz	CZQOUCNMLQLXON-LBPRGKRZSA-N	-1	0	306.274	0.973	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)[O-]	ZINC000826075188	603123117	/nfs/dbraw/zinc/12/31/17/603123117.db2.gz	VOUQLNPGWHRKDI-SNVBAGLBSA-N	-1	0	309.347	0.931	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccc(F)cc1	ZINC000831082191	603590803	/nfs/dbraw/zinc/59/08/03/603590803.db2.gz	IQKGCECTPYVOEG-LLVKDONJSA-N	-1	0	307.281	0.919	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CN1CCCCCCC1=O	ZINC000831082783	603593145	/nfs/dbraw/zinc/59/31/45/603593145.db2.gz	RAMPFRWAQVUAEP-GFCCVEGCSA-N	-1	0	322.365	0.493	20	30		DCEDRM
CCN(CC)C(=O)CCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827025531	603598967	/nfs/dbraw/zinc/59/89/67/603598967.db2.gz	TYIIAMPOUOWNQY-LBPRGKRZSA-N	-1	0	324.381	0.739	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(NC2CC2)nc1	ZINC000831087038	603604287	/nfs/dbraw/zinc/60/42/87/603604287.db2.gz	IQYIWNCEBYZEGE-LBPRGKRZSA-N	-1	0	315.333	0.984	20	30		DCEDRM
N#CCCN(Cc1cccnc1)C(=O)COC1CN(C(=O)[O-])C1	ZINC000831097498	603765345	/nfs/dbraw/zinc/76/53/45/603765345.db2.gz	KAPKBLNRFYZHRM-UHFFFAOYSA-N	-1	0	318.333	0.703	20	30		DCEDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000824961103	603778853	/nfs/dbraw/zinc/77/88/53/603778853.db2.gz	YCUYVZCIYNFYEO-MMZVIXLHSA-N	-1	0	324.337	0.017	20	30		DCEDRM
CN(CCCNC(=O)[O-])C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000828297914	603816794	/nfs/dbraw/zinc/81/67/94/603816794.db2.gz	JHGXOZSSUFHVKS-OUKQBFOZSA-N	-1	0	324.337	0.019	20	30		DCEDRM
C[C@H](CNC(=O)[O-])N(C)c1ncnc2c1cnn2CCC#N	ZINC000824974311	603891986	/nfs/dbraw/zinc/89/19/86/603891986.db2.gz	WBKKAPOQPRYOHD-SECBINFHSA-N	-1	0	303.326	0.832	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)s1	ZINC000830411245	603918330	/nfs/dbraw/zinc/91/83/30/603918330.db2.gz	VZDMCWHEUNISNL-VIFPVBQESA-N	-1	0	315.376	0.933	20	30		DCEDRM
CCCC[C@@H](CNC(=O)[O-])NS(=O)(=O)N(C)CCC#N	ZINC000826816312	603922761	/nfs/dbraw/zinc/92/27/61/603922761.db2.gz	ZEYZRRBADIRYIN-JTQLQIEISA-N	-1	0	306.388	0.493	20	30		DCEDRM
C#CCNC(=O)COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-]	ZINC000823456894	603930302	/nfs/dbraw/zinc/93/03/02/603930302.db2.gz	RTLUMRTZOWIAHE-VXGBXAGGSA-N	-1	0	310.350	0.886	20	30		DCEDRM
CC1CC(C#N)(C(=O)N(C)CCN2CCN(C(=O)[O-])CC2)C1	ZINC000825778026	603981243	/nfs/dbraw/zinc/98/12/43/603981243.db2.gz	HCJWBJFKTGCOLD-UHFFFAOYSA-N	-1	0	308.382	0.680	20	30		DCEDRM
COc1cccc(OCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000829576776	604077818	/nfs/dbraw/zinc/07/78/18/604077818.db2.gz	UIHCJGSLQRQSIP-LLVKDONJSA-N	-1	0	319.317	0.788	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccccc1C=O	ZINC000831083323	604084080	/nfs/dbraw/zinc/08/40/80/604084080.db2.gz	ZEVSEDHEUIDAGV-GFCCVEGCSA-N	-1	0	317.301	0.592	20	30		DCEDRM
CC(=NN[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN1C(=O)[O-]	ZINC000823531535	604085652	/nfs/dbraw/zinc/08/56/52/604085652.db2.gz	ANMWAHGNJKRMLQ-QWRGUYRKSA-N	-1	0	303.384	0.672	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)n1	ZINC000830984902	604154716	/nfs/dbraw/zinc/15/47/16/604154716.db2.gz	JVHPLXWWIGAFSC-VIFPVBQESA-N	-1	0	306.326	0.803	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])CCO1	ZINC000831075621	604200245	/nfs/dbraw/zinc/20/02/45/604200245.db2.gz	BBTLNKRSJHAJQV-UTUOFQBUSA-N	-1	0	310.354	0.747	20	30		DCEDRM
N#CCc1ccnc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831109554	604309169	/nfs/dbraw/zinc/30/91/69/604309169.db2.gz	MQOUNIDXOIMNBF-LLVKDONJSA-N	-1	0	304.306	0.855	20	30		DCEDRM
N#C[C@H](C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCCC1	ZINC000831064555	604385864	/nfs/dbraw/zinc/38/58/64/604385864.db2.gz	JJCPQBJAYLAWAI-GHMZBOCLSA-N	-1	0	309.322	0.087	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CCO1	ZINC000825371188	604450391	/nfs/dbraw/zinc/45/03/91/604450391.db2.gz	DIRQOODKOZFKBF-WCBMZHEXSA-N	-1	0	321.293	0.723	20	30		DCEDRM
C=CCSCCNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823516863	604543549	/nfs/dbraw/zinc/54/35/49/604543549.db2.gz	WYYNOTSBPYKHGL-QWRGUYRKSA-N	-1	0	317.411	0.972	20	30		DCEDRM
C=C(C)CN(CC)C(=O)CN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823474543	604594183	/nfs/dbraw/zinc/59/41/83/604594183.db2.gz	PUAQVAMWCHTFKU-CHWSQXEVSA-N	-1	0	313.398	0.768	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1ccccc1	ZINC000829302402	604637519	/nfs/dbraw/zinc/63/75/19/604637519.db2.gz	HNQCIAUYWLXWRL-ZDUSSCGKSA-N	-1	0	310.375	0.992	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)nc1	ZINC000823467037	604723922	/nfs/dbraw/zinc/72/39/22/604723922.db2.gz	OVVZPXDUIKAFHE-GWCFXTLKSA-N	-1	0	303.318	0.560	20	30		DCEDRM
N#Cc1ccsc1NC(=O)COC(=O)C1(NC(=O)[O-])CC1	ZINC000831156688	604754343	/nfs/dbraw/zinc/75/43/43/604754343.db2.gz	GYVFBQVWJBYCFN-UHFFFAOYSA-N	-1	0	309.303	0.902	20	30		DCEDRM
N#C[C@@H]1CN(CCCN2C(=O)CS/C2=C\C(=O)[O-])CCO1	ZINC000833063205	604762608	/nfs/dbraw/zinc/76/26/08/604762608.db2.gz	UJXPZCFEGCHIDV-GWHHBTOMSA-N	-1	0	311.363	0.102	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000829268361	604791414	/nfs/dbraw/zinc/79/14/14/604791414.db2.gz	GNVQOTRRRIBSNL-LBPRGKRZSA-N	-1	0	305.290	0.884	20	30		DCEDRM
CN(C(=O)[O-])[C@H]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC000827830177	604867786	/nfs/dbraw/zinc/86/77/86/604867786.db2.gz	QWONTZDYJZLXTK-LBPRGKRZSA-N	-1	0	316.313	0.978	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1	ZINC000823481104	604919970	/nfs/dbraw/zinc/91/99/70/604919970.db2.gz	YIMNGWSKMBQULF-UHFFFAOYSA-N	-1	0	322.321	0.819	20	30		DCEDRM
C[C@H](NC(=O)[O-])C(=O)OCC(=O)N(CC#N)c1ccccc1	ZINC000833740170	604960856	/nfs/dbraw/zinc/96/08/56/604960856.db2.gz	FISBCNPUOJQTKK-JTQLQIEISA-N	-1	0	305.290	0.742	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)cc1	ZINC000833366743	605034213	/nfs/dbraw/zinc/03/42/13/605034213.db2.gz	HKGKISNOURNGMA-UHFFFAOYSA-N	-1	0	317.301	0.116	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000833370502	605060768	/nfs/dbraw/zinc/06/07/68/605060768.db2.gz	KXLAZLPMRRQVLO-SECBINFHSA-N	-1	0	317.338	0.987	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000833371548	605060893	/nfs/dbraw/zinc/06/08/93/605060893.db2.gz	UTCBGDKQNPYHGD-SECBINFHSA-N	-1	0	303.336	0.749	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000833370503	605061048	/nfs/dbraw/zinc/06/10/48/605061048.db2.gz	KXLAZLPMRRQVLO-VIFPVBQESA-N	-1	0	317.338	0.987	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000831118047	605113407	/nfs/dbraw/zinc/11/34/07/605113407.db2.gz	KGOBXTXTQBQKRE-JTQLQIEISA-N	-1	0	320.280	0.504	20	30		DCEDRM
C=CCN(CC=C)C(=O)Cn1nc(C(=O)OC)cc1C(=O)[O-]	ZINC000833375405	605184893	/nfs/dbraw/zinc/18/48/93/605184893.db2.gz	VZFMZNRNOBSOPL-UHFFFAOYSA-N	-1	0	307.306	0.569	20	30		DCEDRM
C#CCCN1CCN(CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)CC1	ZINC000833362340	605192483	/nfs/dbraw/zinc/19/24/83/605192483.db2.gz	MZYNOYOANHMENT-DZGCQCFKSA-N	-1	0	309.410	0.243	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000819966724	605249872	/nfs/dbraw/zinc/24/98/72/605249872.db2.gz	AOLXDCVFOMDARG-ZDUSSCGKSA-N	-1	0	317.345	0.904	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000833378919	605272346	/nfs/dbraw/zinc/27/23/46/605272346.db2.gz	XLWWKJAWCWASEK-SNVBAGLBSA-N	-1	0	304.368	0.236	20	30		DCEDRM
N#CCCNC(=O)COC(=O)CCC1CCN(C(=O)[O-])CC1	ZINC000833966006	605326610	/nfs/dbraw/zinc/32/66/10/605326610.db2.gz	YMIBRWGDSFWNTK-UHFFFAOYSA-N	-1	0	311.338	0.730	20	30		DCEDRM
CC(=NNCCC(=O)OC(C)(C)C)c1cn(CC(=O)[O-])nn1	ZINC000833386828	605332927	/nfs/dbraw/zinc/33/29/27/605332927.db2.gz	XUKZTPFGRZGESN-UHFFFAOYSA-N	-1	0	311.342	0.408	20	30		DCEDRM
C=CCNC(=O)[C@H](C)OC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823506950	605338433	/nfs/dbraw/zinc/33/84/33/605338433.db2.gz	PLWBGOBOIMPHRT-WDEREUQCSA-N	-1	0	314.338	0.379	20	30		DCEDRM
C#CCOCCNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000833366094	605383232	/nfs/dbraw/zinc/38/32/32/605383232.db2.gz	GHJXJGVULFIXHV-UHFFFAOYSA-N	-1	0	321.289	0.471	20	30		DCEDRM
N#C[C@H]1CN(C(=O)CC[C@H]2CCN(C(=O)[O-])C2)CCN1C1CC1	ZINC000833965630	605467059	/nfs/dbraw/zinc/46/70/59/605467059.db2.gz	CIGXNKXTUVFLRW-JSGCOSHPSA-N	-1	0	320.393	0.965	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000833976214	605635706	/nfs/dbraw/zinc/63/57/06/605635706.db2.gz	KDNWMUPIGREFKO-LLVKDONJSA-N	-1	0	316.317	0.613	20	30		DCEDRM
Cc1onc(CC(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1C#N	ZINC000833936183	605697854	/nfs/dbraw/zinc/69/78/54/605697854.db2.gz	LJKFDLAKALJPRS-GZMMTYOYSA-N	-1	0	306.322	0.902	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1NCC1CN(C(=O)[O-])C1	ZINC000833975306	605730592	/nfs/dbraw/zinc/73/05/92/605730592.db2.gz	VJLKIJHDWZNLBP-UHFFFAOYSA-N	-1	0	310.335	0.227	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)cc1	ZINC000833973312	605768309	/nfs/dbraw/zinc/76/83/09/605768309.db2.gz	NBVAEYMCTIHKJZ-CHWSQXEVSA-N	-1	0	318.285	0.456	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823506752	605817091	/nfs/dbraw/zinc/81/70/91/605817091.db2.gz	LJJJUODHADAYLH-NXEZZACHSA-N	-1	0	316.379	0.706	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N2CCCC[C@H]2CNC(=O)[O-])n1	ZINC000833945953	605961164	/nfs/dbraw/zinc/96/11/64/605961164.db2.gz	WEMOPPGMHVJNCW-JTQLQIEISA-N	-1	0	306.326	0.946	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H](O)CCc1ccccc1	ZINC000833966558	605966810	/nfs/dbraw/zinc/96/68/10/605966810.db2.gz	LVQIXANRHMAHDP-ZIAGYGMSSA-N	-1	0	317.345	0.694	20	30		DCEDRM
C=CCN(CC(=O)OCC)C(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833787902	606020899	/nfs/dbraw/zinc/02/08/99/606020899.db2.gz	HGKVKVCJAIVRSG-UHFFFAOYSA-N	-1	0	308.294	0.758	20	30		DCEDRM
O=C([O-])NC1CCC(=NNC2CCS(=O)(=O)CC2)CC1	ZINC000834162474	606079669	/nfs/dbraw/zinc/07/96/69/606079669.db2.gz	DVEUGOHZNOOXMC-UHFFFAOYSA-N	-1	0	303.384	0.719	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)s1	ZINC000820132410	606176699	/nfs/dbraw/zinc/17/66/99/606176699.db2.gz	JRGCIRFABRIKGT-SSDOTTSWSA-N	-1	0	304.335	0.775	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cccc(C#N)c1	ZINC000820334993	607220464	/nfs/dbraw/zinc/22/04/64/607220464.db2.gz	SGEPNJZFXAUGPT-SECBINFHSA-N	-1	0	323.320	0.207	20	30		DCEDRM
C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000824866878	608116989	/nfs/dbraw/zinc/11/69/89/608116989.db2.gz	NWGBHRSZSMSFRM-SVRRBLITSA-N	-1	0	314.309	0.405	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CCCCCn1cccn1	ZINC000826382505	609174550	/nfs/dbraw/zinc/17/45/50/609174550.db2.gz	HRBUDYUORXCFSA-UHFFFAOYSA-N	-1	0	312.341	0.584	20	30		DCEDRM
CS(C)(=O)=NS(=O)(=O)[N-]Cc1ccc(C#N)cc1F	ZINC000866741713	667392994	/nfs/dbraw/zinc/39/29/94/667392994.db2.gz	HRXQWYNZKIEWIX-UHFFFAOYSA-N	-1	0	305.356	0.759	20	30		DCEDRM
C=C[C@@](C)(O)C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)[O-]	ZINC000909381875	660453366	/nfs/dbraw/zinc/45/33/66/660453366.db2.gz	ASHRXGJWCKQVSR-MLGOLLRUSA-N	-1	0	307.346	0.992	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000085855299	660786814	/nfs/dbraw/zinc/78/68/14/660786814.db2.gz	XHHXMYZDLQXMBZ-GFCCVEGCSA-N	-1	0	314.294	0.219	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732623547	664949124	/nfs/dbraw/zinc/94/91/24/664949124.db2.gz	WUXGEUMVBQOOEE-UHFFFAOYSA-N	-1	0	321.361	0.718	20	30		DCEDRM
COc1ccc(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c([O-])c1	ZINC000176954179	658430159	/nfs/dbraw/zinc/43/01/59/658430159.db2.gz	KBEPGWHODSGNQE-QPJJXVBHSA-N	-1	0	316.313	0.694	20	30		DCEDRM
Cn1cc(/C=C/C(=O)c2ccc(F)cc2[O-])c(=O)n(C)c1=O	ZINC000176956823	658435109	/nfs/dbraw/zinc/43/51/09/658435109.db2.gz	KNQWCIWUUKEJSG-ZZXKWVIFSA-N	-1	0	304.277	0.825	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)c(F)c1	ZINC000092479679	658632289	/nfs/dbraw/zinc/63/22/89/658632289.db2.gz	WQSSKLBCCHSCEZ-UHFFFAOYSA-N	-1	0	301.295	0.543	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1cn2ccccc2n1	ZINC000181281873	659030757	/nfs/dbraw/zinc/03/07/57/659030757.db2.gz	KJNDWQCFBBUJCG-UHFFFAOYSA-N	-1	0	306.347	0.627	20	30		DCEDRM
C[C@H]1CO[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)C1	ZINC000892664287	659103751	/nfs/dbraw/zinc/10/37/51/659103751.db2.gz	NPGSXNFNPXVLQP-MFKMUULPSA-N	-1	0	308.359	0.929	20	30		DCEDRM
C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001032729652	665748550	/nfs/dbraw/zinc/74/85/50/665748550.db2.gz	HPLXSFBCTYPVLD-QWRGUYRKSA-N	-1	0	312.329	0.850	20	30		DCEDRM
C#Cc1ccc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)cc1	ZINC001031892285	665782068	/nfs/dbraw/zinc/78/20/68/665782068.db2.gz	VIBYFMGLYFDWNV-UHFFFAOYSA-N	-1	0	311.345	0.353	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1c(C)nn2cccnc12	ZINC000727952408	662324361	/nfs/dbraw/zinc/32/43/61/662324361.db2.gz	HEZFBDQKSRVYCU-LLVKDONJSA-N	-1	0	315.333	0.513	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)c1	ZINC001007028395	662601826	/nfs/dbraw/zinc/60/18/26/662601826.db2.gz	IHPFUTOANYHTCA-SNVBAGLBSA-N	-1	0	315.337	0.104	20	30		DCEDRM
C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1cnc(C2CC2)[nH]c1=O	ZINC000987135527	662647337	/nfs/dbraw/zinc/64/73/37/662647337.db2.gz	HTQVDQMWOKQTEQ-CABZTGNLSA-N	-1	0	301.350	0.776	20	30		DCEDRM
CCOC[C@H](C)CS(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899926421	663201132	/nfs/dbraw/zinc/20/11/32/663201132.db2.gz	LIBFTABNDCPDQJ-STQMWFEESA-N	-1	0	317.407	0.789	20	30		DCEDRM
C[C@@H]1C[C@@H](S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)CCO1	ZINC000899927234	663201428	/nfs/dbraw/zinc/20/14/28/663201428.db2.gz	UFLAMRZUGBHFIH-AGIUHOORSA-N	-1	0	315.391	0.684	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1	ZINC000899938610	663202668	/nfs/dbraw/zinc/20/26/68/663202668.db2.gz	SPNLYKHTVYGJPR-ITGUQSILSA-N	-1	0	306.343	0.650	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1C#N	ZINC000899938380	663202742	/nfs/dbraw/zinc/20/27/42/663202742.db2.gz	IBQSMAKWQHAJDA-PJXYFTJBSA-N	-1	0	306.343	0.818	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000902047871	663380741	/nfs/dbraw/zinc/38/07/41/663380741.db2.gz	KWGRGTKNOCUTRA-LLVKDONJSA-N	-1	0	309.347	0.368	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)COCC(=O)[O-])CC2)cc1	ZINC000902485109	663417145	/nfs/dbraw/zinc/41/71/45/663417145.db2.gz	PTEMPZKNOOJSGA-UHFFFAOYSA-N	-1	0	303.318	0.308	20	30		DCEDRM
N#Cc1ccc(C2CCN(CC(=O)NCC(=O)[O-])CC2)cc1	ZINC000903706887	663474265	/nfs/dbraw/zinc/47/42/65/663474265.db2.gz	HNTKCWWJBGATPC-UHFFFAOYSA-N	-1	0	301.346	0.938	20	30		DCEDRM
C#CCCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC000906827520	663645043	/nfs/dbraw/zinc/64/50/43/663645043.db2.gz	AHYUPHNSBYUEKS-UHFFFAOYSA-N	-1	0	322.386	0.714	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000906932400	663652517	/nfs/dbraw/zinc/65/25/17/663652517.db2.gz	CFZWEYMBPLPBGS-UHFFFAOYSA-N	-1	0	311.359	0.632	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)[C@@H]1CCCO1	ZINC000906936151	663652728	/nfs/dbraw/zinc/65/27/28/663652728.db2.gz	WULYHIHQHCMBFB-PWSUYJOCSA-N	-1	0	312.347	0.182	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000907016374	663660612	/nfs/dbraw/zinc/66/06/12/663660612.db2.gz	ZOOBVZKTUGNFAG-LBPRGKRZSA-N	-1	0	309.343	0.716	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)NCCN1CCOC(C)(C)C1)C(=O)[O-]	ZINC000908914313	663773993	/nfs/dbraw/zinc/77/39/93/663773993.db2.gz	NXPFQPZIFHNZJI-GFCCVEGCSA-N	-1	0	313.398	0.816	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CCC[C@@H]1OC)C(=O)[O-]	ZINC000908919407	663774553	/nfs/dbraw/zinc/77/45/53/663774553.db2.gz	DRGQJSQGNOHNCO-WOPDTQHZSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCCOC[C@@H]1CCOC1)C(=O)[O-]	ZINC000908947602	663775941	/nfs/dbraw/zinc/77/59/41/663775941.db2.gz	DWHFYXVFIVVTTI-VXGBXAGGSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCc1cnc(N(C)C)n1C)C(=O)[O-]	ZINC000908960894	663776509	/nfs/dbraw/zinc/77/65/09/663776509.db2.gz	LARIMERHEVSHPP-LLVKDONJSA-N	-1	0	309.370	0.705	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)NCCc1cn(C)cn1)C(=O)[O-]	ZINC000909024782	663779671	/nfs/dbraw/zinc/77/96/71/663779671.db2.gz	JNNJLHSMWUUUDZ-JTQLQIEISA-N	-1	0	300.746	0.858	20	30		DCEDRM
C#CCSCCNC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000909051877	663779871	/nfs/dbraw/zinc/77/98/71/663779871.db2.gz	GWRSRZOBGXLJEB-MNOVXSKESA-N	-1	0	300.380	0.626	20	30		DCEDRM
C=CCC[C@H](NC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1OC)C(=O)[O-]	ZINC000909196384	663786549	/nfs/dbraw/zinc/78/65/49/663786549.db2.gz	RCDGELXBXOSWPN-QCNOEVLYSA-N	-1	0	300.355	0.897	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NCCc1ccc(OCC(=O)[O-])cc1	ZINC000909301788	663793258	/nfs/dbraw/zinc/79/32/58/663793258.db2.gz	FQBSIHBJCUYVCH-GFCCVEGCSA-N	-1	0	305.330	0.847	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cn2c(n1)CC[C@@H](C)C2)C(=O)[O-]	ZINC000909772779	663800943	/nfs/dbraw/zinc/80/09/43/663800943.db2.gz	VFEPRUGZJGIXOB-ZYHUDNBSSA-N	-1	0	307.350	0.851	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1nnc(-c2ccccc2)n1C)C(=O)[O-]	ZINC000910051500	663836972	/nfs/dbraw/zinc/83/69/72/663836972.db2.gz	WOXRETJEZJXTLJ-LBPRGKRZSA-N	-1	0	312.329	0.617	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1)C(=O)[O-]	ZINC000910053738	663837260	/nfs/dbraw/zinc/83/72/60/663837260.db2.gz	CURVEVBPHMHVLG-OLZOCXBDSA-N	-1	0	323.393	0.657	20	30		DCEDRM
C#CC[C@H](NC(=O)CN1c2ccccc2O[C@H](C)C1=O)C(=O)[O-]	ZINC000910052355	663837367	/nfs/dbraw/zinc/83/73/67/663837367.db2.gz	VEZVSLHFMBYKJN-MNOVXSKESA-N	-1	0	316.313	0.393	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1COc2cc(OC)ccc2C1)C(=O)[O-]	ZINC000910054022	663837836	/nfs/dbraw/zinc/83/78/36/663837836.db2.gz	HPNXMOMQLDGAHQ-YPMHNXCESA-N	-1	0	303.314	0.839	20	30		DCEDRM
C#CC[C@@H](NC(=O)CC1CN(C(=O)OC(C)(C)C)C1)C(=O)[O-]	ZINC000910054282	663838011	/nfs/dbraw/zinc/83/80/11/663838011.db2.gz	MFXQXVMYYASHAF-LLVKDONJSA-N	-1	0	310.350	0.836	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1ccc(OCCOC)cc1)C(=O)[O-]	ZINC000910045805	663839682	/nfs/dbraw/zinc/83/96/82/663839682.db2.gz	HGZROSQLWSPBGS-AWEZNQCLSA-N	-1	0	305.330	0.847	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2C)C(=O)[O-]	ZINC000910047110	663840149	/nfs/dbraw/zinc/84/01/49/663840149.db2.gz	YKAJEODENOXRTR-GFCCVEGCSA-N	-1	0	300.314	0.802	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(C)n(C2CCOCC2)n1)C(=O)[O-]	ZINC000910046434	663840277	/nfs/dbraw/zinc/84/02/77/663840277.db2.gz	PARYLLIPIAEYPG-LBPRGKRZSA-N	-1	0	305.334	0.749	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F	ZINC000912450588	664177078	/nfs/dbraw/zinc/17/70/78/664177078.db2.gz	YRBHTJJGBPIWFZ-ZYHUDNBSSA-N	-1	0	303.236	0.478	20	30		DCEDRM
C=CCCOCCCCC(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC000913495903	664330281	/nfs/dbraw/zinc/33/02/81/664330281.db2.gz	PLLKDZWTTXZMQX-LBPRGKRZSA-N	-1	0	309.370	0.863	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000541929807	664699182	/nfs/dbraw/zinc/69/91/82/664699182.db2.gz	YTTGIVFJUVVLJU-NSHDSACASA-N	-1	0	310.306	0.842	20	30		DCEDRM
O=C1[N-]C(=O)C(=NNc2ccc([N+](=O)[O-])cc2Cl)C(=O)N1	ZINC000916625556	665074498	/nfs/dbraw/zinc/07/44/98/665074498.db2.gz	LPJZDRIABYRUCH-UHFFFAOYSA-N	-1	0	311.641	0.382	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C(=O)OC)c1	ZINC000916889632	665099099	/nfs/dbraw/zinc/09/90/99/665099099.db2.gz	ANSYKUGJFWEBRQ-LBPRGKRZSA-N	-1	0	304.302	0.558	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2c(c1)C(=O)N(C)C2=O	ZINC000916945378	665103946	/nfs/dbraw/zinc/10/39/46/665103946.db2.gz	QXCTUDANMDOFMB-GFCCVEGCSA-N	-1	0	313.313	0.759	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC000917002698	665108035	/nfs/dbraw/zinc/10/80/35/665108035.db2.gz	OQWOUPQGRXUOSU-QWHCGFSZSA-N	-1	0	315.329	0.873	20	30		DCEDRM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1c[nH]c(C(N)=O)c1	ZINC000917424099	665132413	/nfs/dbraw/zinc/13/24/13/665132413.db2.gz	BUWCNRSTXMAMPU-NSHDSACASA-N	-1	0	302.334	0.885	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2CCNC2=O)c(C)c1	ZINC000920113560	665258251	/nfs/dbraw/zinc/25/82/51/665258251.db2.gz	HUSAGGPLNLTWIZ-NSHDSACASA-N	-1	0	300.318	0.593	20	30		DCEDRM
O=C([N-]S(=O)(=O)c1cccnc1)c1ccc2nncn2c1	ZINC000073087136	666560660	/nfs/dbraw/zinc/56/06/60/666560660.db2.gz	IDZHBIAZKDKUKY-UHFFFAOYSA-N	-1	0	303.303	0.818	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnc(OC)nc1	ZINC000734079354	666843755	/nfs/dbraw/zinc/84/37/55/666843755.db2.gz	OMQMBIBHPFFHEU-NSHDSACASA-N	-1	0	306.322	0.350	20	30		DCEDRM
COc1ncc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cn1	ZINC000734078949	666843879	/nfs/dbraw/zinc/84/38/79/666843879.db2.gz	GRCBNGSFOSUARN-LBPRGKRZSA-N	-1	0	320.349	0.739	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000861456472	666929786	/nfs/dbraw/zinc/92/97/86/666929786.db2.gz	YGVBIHHLJRFATN-WDEREUQCSA-N	-1	0	318.395	0.339	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1	ZINC000862132682	667020970	/nfs/dbraw/zinc/02/09/70/667020970.db2.gz	JNGVAUWQDMAFKB-GFCCVEGCSA-N	-1	0	320.345	0.992	20	30		DCEDRM
CCC(=O)N1CCC[C@@H](C(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC000119501686	667152753	/nfs/dbraw/zinc/15/27/53/667152753.db2.gz	GFDKEXVOXNXUIY-NEPJUHHUSA-N	-1	0	316.361	0.960	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)c1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC000864186188	667222948	/nfs/dbraw/zinc/22/29/48/667222948.db2.gz	KJNQKHUVVXWOCO-ZETCQYMHSA-N	-1	0	301.734	0.754	20	30		DCEDRM
CCc1csc(N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)n1	ZINC000865966310	667357971	/nfs/dbraw/zinc/35/79/71/667357971.db2.gz	WAGTUBJLQVVJJW-UHFFFAOYSA-N	-1	0	303.347	0.901	20	30		DCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cc(C(F)(F)F)ncn1	ZINC000868562177	667581224	/nfs/dbraw/zinc/58/12/24/667581224.db2.gz	DAOFYPVDIWNDHV-LURJTMIESA-N	-1	0	304.228	0.605	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	ZINC000838782153	667710252	/nfs/dbraw/zinc/71/02/52/667710252.db2.gz	YQUADNNXCHCION-UHTWSYAYSA-N	-1	0	318.354	0.978	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](CCC)C(=O)OCC	ZINC000838896764	667719173	/nfs/dbraw/zinc/71/91/73/667719173.db2.gz	ZQYPNZSUCMFWJJ-WDEREUQCSA-N	-1	0	319.379	0.203	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](CCC)C(=O)OCC	ZINC000838896761	667719618	/nfs/dbraw/zinc/71/96/18/667719618.db2.gz	ZQYPNZSUCMFWJJ-GHMZBOCLSA-N	-1	0	319.379	0.203	20	30		DCEDRM
CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870693785	667752585	/nfs/dbraw/zinc/75/25/85/667752585.db2.gz	ULYFBEGIJUAAIT-ZDUSSCGKSA-N	-1	0	323.374	0.782	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1	ZINC000870832164	667764978	/nfs/dbraw/zinc/76/49/78/667764978.db2.gz	VTKZQYZDAATUAN-LLVKDONJSA-N	-1	0	314.407	0.656	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CNC(=O)c3ccccc32)CC1	ZINC000870839016	667765455	/nfs/dbraw/zinc/76/54/55/667765455.db2.gz	CNGBXNGGKTWLOW-GFCCVEGCSA-N	-1	0	320.370	0.678	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCc3nnn(C)c3C2)CC1	ZINC000870838125	667765550	/nfs/dbraw/zinc/76/55/50/667765550.db2.gz	MHYGSNRFTDAMGQ-VIFPVBQESA-N	-1	0	310.379	0.085	20	30		DCEDRM
CC(=O)N1CC(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)C1	ZINC000788161875	667775241	/nfs/dbraw/zinc/77/52/41/667775241.db2.gz	KMFWZQUYXPBRGW-LLVKDONJSA-N	-1	0	321.358	0.649	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@H]1CC(C)(C)CO1)C(=O)[O-]	ZINC000871647267	667841354	/nfs/dbraw/zinc/84/13/54/667841354.db2.gz	DETFKOJJJBIMTE-WDEREUQCSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1)C(=O)[O-]	ZINC000871649803	667841534	/nfs/dbraw/zinc/84/15/34/667841534.db2.gz	QGODVMBDNTZZTE-ZDEQEGDKSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1	ZINC000871940280	667858479	/nfs/dbraw/zinc/85/84/79/667858479.db2.gz	PGZXEXQODLTSSD-UHFFFAOYSA-N	-1	0	315.322	0.760	20	30		DCEDRM
CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000750418907	667978483	/nfs/dbraw/zinc/97/84/83/667978483.db2.gz	VVSHLVFQXLPORY-VIFPVBQESA-N	-1	0	309.347	0.029	20	30		DCEDRM
Cc1nonc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000751454637	668002509	/nfs/dbraw/zinc/00/25/09/668002509.db2.gz	UFKBPDYQWBUZGO-UHFFFAOYSA-N	-1	0	323.290	0.636	20	30		DCEDRM
CCc1nn(C)c(CC)c1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC000755508103	668061699	/nfs/dbraw/zinc/06/16/99/668061699.db2.gz	JBYSSORGZCNDRJ-UHFFFAOYSA-N	-1	0	306.395	0.976	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccnc(O[C@@H]2CCOC2)c1	ZINC000755604162	668062605	/nfs/dbraw/zinc/06/26/05/668062605.db2.gz	OWPZRPUZXRUISI-CHWSQXEVSA-N	-1	0	315.329	0.850	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnc(O[C@H]2CCOC2)c1	ZINC000755605026	668062646	/nfs/dbraw/zinc/06/26/46/668062646.db2.gz	XEHCEKNLJOJUDE-QWHCGFSZSA-N	-1	0	315.329	0.874	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)OCC	ZINC000756567469	668093711	/nfs/dbraw/zinc/09/37/11/668093711.db2.gz	LGAFYQVFZKEEIJ-NSHDSACASA-N	-1	0	306.384	0.051	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccc1	ZINC000757612385	668143970	/nfs/dbraw/zinc/14/39/70/668143970.db2.gz	BGPIBOKZUYAJNE-CQSZACIVSA-N	-1	0	321.340	0.952	20	30		DCEDRM
COc1ccc2c(c1)O/C(=C/c1cn(CC(=O)[O-])nn1)C2=O	ZINC000759082634	668205592	/nfs/dbraw/zinc/20/55/92/668205592.db2.gz	GHGVSPOCCNZWEI-UUILKARUSA-N	-1	0	301.258	0.988	20	30		DCEDRM
N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000761165296	668309837	/nfs/dbraw/zinc/30/98/37/668309837.db2.gz	HAUNBXIFKKZARK-AWEZNQCLSA-N	-1	0	322.386	0.920	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CNC(=O)c1ccccc1OCC	ZINC000762049714	668344645	/nfs/dbraw/zinc/34/46/45/668344645.db2.gz	DTEPTNYLQMNMSL-UHFFFAOYSA-N	-1	0	320.345	0.914	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1)OCC	ZINC000762129915	668348121	/nfs/dbraw/zinc/34/81/21/668348121.db2.gz	GHMWKYCUBKNBCW-NEPJUHHUSA-N	-1	0	305.396	0.840	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCc3n[nH]cc3C2)CCC1	ZINC000764073999	668433601	/nfs/dbraw/zinc/43/36/01/668433601.db2.gz	GFHOBTIAOMWUSZ-JTQLQIEISA-N	-1	0	322.390	0.654	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@@]23CCOC3)c1	ZINC000764759402	668461598	/nfs/dbraw/zinc/46/15/98/668461598.db2.gz	DLKKVCGQXDIIQE-UKRRQHHQSA-N	-1	0	320.370	0.931	20	30		DCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000765652322	668503903	/nfs/dbraw/zinc/50/39/03/668503903.db2.gz	SYEYSNKSQCMGLR-UHFFFAOYSA-N	-1	0	320.330	0.176	20	30		DCEDRM
C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1cn(CC(=O)[O-])nn1	ZINC000768477639	668611378	/nfs/dbraw/zinc/61/13/78/668611378.db2.gz	WYAJNDRAAHORJC-KOLCDFICSA-N	-1	0	324.410	0.739	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](C)[C@@H]1CCCOC1)C(=O)[O-]	ZINC000929052654	668648188	/nfs/dbraw/zinc/64/81/88/668648188.db2.gz	PRJVIULKTIOCPN-TUAOUCFPSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)CC	ZINC000772713747	668781833	/nfs/dbraw/zinc/78/18/33/668781833.db2.gz	WHNMPTDJISBRTO-UWVGGRQHSA-N	-1	0	320.436	0.566	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)[N-]OCCOCC	ZINC000773618890	668809635	/nfs/dbraw/zinc/80/96/35/668809635.db2.gz	JMEFYFXZLPMRNC-UHFFFAOYSA-N	-1	0	324.308	0.861	20	30		DCEDRM
C#C[C@@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@@H]1CCCO1	ZINC000775805162	668868108	/nfs/dbraw/zinc/86/81/08/668868108.db2.gz	DKCKEJIEEVLENM-YPMHNXCESA-N	-1	0	319.386	0.779	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(CNC(N)=O)cc1	ZINC000776121389	668871202	/nfs/dbraw/zinc/87/12/02/668871202.db2.gz	FIGZKKFIJAJTFH-UHFFFAOYSA-N	-1	0	324.362	0.218	20	30		DCEDRM
Cn1c(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)ccc1[N+](=O)[O-]	ZINC000776138412	668871611	/nfs/dbraw/zinc/87/16/11/668871611.db2.gz	ZWYKBKUWZUBRNO-UHFFFAOYSA-N	-1	0	314.323	0.543	20	30		DCEDRM
C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776136925	668871630	/nfs/dbraw/zinc/87/16/30/668871630.db2.gz	PLWYEYISPVPIFN-MNOVXSKESA-N	-1	0	318.395	0.566	20	30		DCEDRM
COCc1nc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cs1	ZINC000776145682	668871923	/nfs/dbraw/zinc/87/19/23/668871923.db2.gz	GCYHYBWOMSPXLF-UHFFFAOYSA-N	-1	0	317.392	0.899	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCOC2)CCCC1	ZINC000779314165	668909416	/nfs/dbraw/zinc/90/94/16/668909416.db2.gz	ASFCAWWHUWBWCQ-LLVKDONJSA-N	-1	0	300.380	0.943	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cc1	ZINC000780611812	668999416	/nfs/dbraw/zinc/99/94/16/668999416.db2.gz	HNYUGERZMRTXBN-CQSZACIVSA-N	-1	0	323.370	0.937	20	30		DCEDRM
N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)c1	ZINC000781501493	669046909	/nfs/dbraw/zinc/04/69/09/669046909.db2.gz	UUXVYSIALRIGGY-ZDUSSCGKSA-N	-1	0	324.358	0.562	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)N(C)CCOC	ZINC000783105084	669143301	/nfs/dbraw/zinc/14/33/01/669143301.db2.gz	HKZUBPJHMGCWJL-GFCCVEGCSA-N	-1	0	308.400	0.154	20	30		DCEDRM
COC(=O)C[C@@H](C)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000784118577	669190759	/nfs/dbraw/zinc/19/07/59/669190759.db2.gz	MFXNKBINUMKLSW-MRVPVSSYSA-N	-1	0	318.289	0.549	20	30		DCEDRM
CC[C@@H](C(=O)OC)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000784940543	669231533	/nfs/dbraw/zinc/23/15/33/669231533.db2.gz	ZNCSNWNUNXZXGL-JTQLQIEISA-N	-1	0	318.289	0.549	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(CC(F)(F)F)c1	ZINC000786929014	669341216	/nfs/dbraw/zinc/34/12/16/669341216.db2.gz	HTNZICGUKWEFOY-SECBINFHSA-N	-1	0	318.255	0.530	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000129126743	669360612	/nfs/dbraw/zinc/36/06/12/669360612.db2.gz	GJOTYFKPBVMWAT-UHFFFAOYSA-N	-1	0	305.269	0.571	20	30		DCEDRM
C#CCN1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CC1	ZINC000932709940	669406456	/nfs/dbraw/zinc/40/64/56/669406456.db2.gz	NBOUJYSXIXLXKL-UHFFFAOYSA-N	-1	0	304.394	0.152	20	30		DCEDRM
CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cc(C#N)ccc2C)C1	ZINC000788361960	669433848	/nfs/dbraw/zinc/43/38/48/669433848.db2.gz	FBUMGSBPDWTRQN-UHFFFAOYSA-N	-1	0	321.358	0.150	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)[N-]OCCOC	ZINC000789825540	669511820	/nfs/dbraw/zinc/51/18/20/669511820.db2.gz	OXYWHBUSNRYASV-UHFFFAOYSA-N	-1	0	310.281	0.470	20	30		DCEDRM
CCOC(=O)C(C)(C)CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000805910178	669533811	/nfs/dbraw/zinc/53/38/11/669533811.db2.gz	NUDDRYGCRBAQKI-UHFFFAOYSA-N	-1	0	318.395	0.962	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(NC(C)=O)ccc1F	ZINC000791111783	669594226	/nfs/dbraw/zinc/59/42/26/669594226.db2.gz	ZEHTVNRMWBAXAC-UHFFFAOYSA-N	-1	0	312.322	0.867	20	30		DCEDRM
COc1cncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)n1	ZINC000791879764	669636336	/nfs/dbraw/zinc/63/63/36/669636336.db2.gz	GCXJMPBCYLXNGQ-UHFFFAOYSA-N	-1	0	310.335	0.239	20	30		DCEDRM
CC[C@@H](NN=C1C(=O)Nc2cc(OC)c(OC)cc21)C(=O)[O-]	ZINC000793056520	669700048	/nfs/dbraw/zinc/70/00/48/669700048.db2.gz	UTNIUHGZORAYCQ-MRVPVSSYSA-N	-1	0	307.306	0.813	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc3c2OCO3)CC1	ZINC000793193755	669706796	/nfs/dbraw/zinc/70/67/96/669706796.db2.gz	CKCCORMKLNYOKU-UHFFFAOYSA-N	-1	0	308.315	0.779	20	30		DCEDRM
CCOC1CC(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)C1	ZINC000793198689	669707415	/nfs/dbraw/zinc/70/74/15/669707415.db2.gz	ZZPZVNOGNJWLJA-UHFFFAOYSA-N	-1	0	300.380	0.941	20	30		DCEDRM
N#CC[C@@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1	ZINC000796825795	669943966	/nfs/dbraw/zinc/94/39/66/669943966.db2.gz	BGHVFNCMJQLWRQ-NSHDSACASA-N	-1	0	309.347	0.005	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@H]2CCCOC2)CCC1	ZINC000796850464	669944330	/nfs/dbraw/zinc/94/43/30/669944330.db2.gz	KYWNCQKACKFHPI-LLVKDONJSA-N	-1	0	300.380	0.943	20	30		DCEDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000797275463	669962213	/nfs/dbraw/zinc/96/22/13/669962213.db2.gz	NBYZUFNEAMAQEE-UHFFFAOYSA-N	-1	0	314.319	0.410	20	30		DCEDRM
COCCC1N=NC(=S)N1N=Cc1cc(C(=O)[O-])c(C)[nH]1	ZINC000800813644	670101515	/nfs/dbraw/zinc/10/15/15/670101515.db2.gz	FDINKEIBPSVPIV-UHFFFAOYSA-N	-1	0	309.351	0.973	20	30		DCEDRM
N#CCn1cc([N-]S(=O)(=O)c2cccc3c2OCO3)cn1	ZINC000800835376	670102020	/nfs/dbraw/zinc/10/20/20/670102020.db2.gz	FYOTUEQKOKYVHQ-UHFFFAOYSA-N	-1	0	306.303	0.936	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000804160446	670287318	/nfs/dbraw/zinc/28/73/18/670287318.db2.gz	WDIVAOHWPBOCAT-UHFFFAOYSA-N	-1	0	309.297	0.398	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cnn(CC)c1	ZINC000810609494	670491741	/nfs/dbraw/zinc/49/17/41/670491741.db2.gz	ADGKUIPQBSVAOB-UHFFFAOYSA-N	-1	0	317.370	0.932	20	30		DCEDRM
Cn1cnc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)n1	ZINC000810708840	670494660	/nfs/dbraw/zinc/49/46/60/670494660.db2.gz	ZVWDDJHXXZYMGE-SNVBAGLBSA-N	-1	0	319.271	0.732	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CNC(=O)CC1CCCCC1	ZINC000810774968	670496917	/nfs/dbraw/zinc/49/69/17/670496917.db2.gz	RNSVISGAQJLRDM-UHFFFAOYSA-N	-1	0	314.407	0.542	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC1CCC2(CC1)OCCO2	ZINC000810775563	670497136	/nfs/dbraw/zinc/49/71/36/670497136.db2.gz	KQYHIPGYHSZWNZ-UHFFFAOYSA-N	-1	0	315.391	0.779	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(CNC(C)=O)cc1	ZINC000810777031	670497225	/nfs/dbraw/zinc/49/72/25/670497225.db2.gz	SDDGJUNYRZEKRA-UHFFFAOYSA-N	-1	0	308.359	0.406	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1COc2ccc(OC)cc2C1	ZINC000810779857	670497583	/nfs/dbraw/zinc/49/75/83/670497583.db2.gz	DJDCFKUEPZSNQA-GFCCVEGCSA-N	-1	0	323.370	0.716	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000810781567	670497695	/nfs/dbraw/zinc/49/76/95/670497695.db2.gz	TVXWMRMXOJILEO-LBPRGKRZSA-N	-1	0	320.370	0.509	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C12CCC(C(=O)OC)(CC1)C2	ZINC000810781687	670497786	/nfs/dbraw/zinc/49/77/86/670497786.db2.gz	IJHSXVFWGVOFBT-UHFFFAOYSA-N	-1	0	313.375	0.579	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(CNC(C)=O)cc1	ZINC000810785687	670498102	/nfs/dbraw/zinc/49/81/02/670498102.db2.gz	NQPSFTKPWXEDHZ-UHFFFAOYSA-N	-1	0	308.359	0.406	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2coc(COC)n2)CC1	ZINC000810983856	670501897	/nfs/dbraw/zinc/50/18/97/670501897.db2.gz	JFWVAZUPINIXAA-UHFFFAOYSA-N	-1	0	300.336	0.989	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc3n[nH]c(=O)n3c2)CC1	ZINC000810985806	670502268	/nfs/dbraw/zinc/50/22/68/670502268.db2.gz	HSQCAVLEDVRAHP-UHFFFAOYSA-N	-1	0	322.346	0.603	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)COCc2ccnn2C)CC1	ZINC000810985880	670502393	/nfs/dbraw/zinc/50/23/93/670502393.db2.gz	UMQBZMMMWJUIMX-UHFFFAOYSA-N	-1	0	313.379	0.491	20	30		DCEDRM
COCCS(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000847645940	670585428	/nfs/dbraw/zinc/58/54/28/670585428.db2.gz	YVQHYEGFEFHSSF-LLVKDONJSA-N	-1	0	310.375	0.829	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000812784603	670595532	/nfs/dbraw/zinc/59/55/32/670595532.db2.gz	YFGQXDWSSVSSRQ-NSHDSACASA-N	-1	0	310.375	0.721	20	30		DCEDRM
C#CCO[N-]C(=O)CN(C)C(=O)c1ccc(Br)o1	ZINC000812782066	670596006	/nfs/dbraw/zinc/59/60/06/670596006.db2.gz	KKQPJTSAUNFJGU-UHFFFAOYSA-N	-1	0	315.123	0.795	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2ncccn2)CCC1	ZINC000813086944	670609682	/nfs/dbraw/zinc/60/96/82/670609682.db2.gz	QWRIUUPYFXJPCA-UHFFFAOYSA-N	-1	0	308.363	0.549	20	30		DCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1	ZINC000847998456	670619415	/nfs/dbraw/zinc/61/94/15/670619415.db2.gz	WQYNLVGEKOSPCX-UHFFFAOYSA-N	-1	0	301.324	0.181	20	30		DCEDRM
COC1CCC(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000813979564	670666518	/nfs/dbraw/zinc/66/65/18/670666518.db2.gz	UJPMKEQFEQMKIU-UHFFFAOYSA-N	-1	0	323.374	0.963	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000813991449	670670294	/nfs/dbraw/zinc/67/02/94/670670294.db2.gz	ILENAUROORLTNV-UHFFFAOYSA-N	-1	0	318.358	0.648	20	30		DCEDRM
CN(C)S(=O)(=O)c1ccccc1[N-][NH+]=Cc1cn(C)[nH]c1=O	ZINC000814229070	670681824	/nfs/dbraw/zinc/68/18/24/670681824.db2.gz	QLGCPIHDHOYXLQ-UHFFFAOYSA-N	-1	0	323.378	0.822	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](C)C(=O)[O-])n1	ZINC000848586728	670698636	/nfs/dbraw/zinc/69/86/36/670698636.db2.gz	CQUFIOGKBFSUJK-LBPRGKRZSA-N	-1	0	322.365	0.395	20	30		DCEDRM
NC(=O)CNC(=S)NN=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814844280	670704532	/nfs/dbraw/zinc/70/45/32/670704532.db2.gz	FFACFTZSSDSQFB-UHFFFAOYSA-N	-1	0	314.754	0.322	20	30		DCEDRM
C=CC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1ccncc1	ZINC000848608034	670704136	/nfs/dbraw/zinc/70/41/36/670704136.db2.gz	ONODSCYNKKAPLG-JQWIXIFHSA-N	-1	0	305.334	0.652	20	30		DCEDRM
CCNC(=O)COc1ccc(C=NNCC(=O)[O-])cc1OC	ZINC000814958222	670709171	/nfs/dbraw/zinc/70/91/71/670709171.db2.gz	FWYZRTMGDFTUHB-UHFFFAOYSA-N	-1	0	309.322	0.218	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(OC)c1	ZINC000849218907	670766052	/nfs/dbraw/zinc/76/60/52/670766052.db2.gz	BJAJRJHVJDQWDM-UHFFFAOYSA-N	-1	0	301.295	0.543	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCc2cncs2)c1	ZINC000816095002	670786551	/nfs/dbraw/zinc/78/65/51/670786551.db2.gz	MHJFDJPFKCOIDG-UHFFFAOYSA-N	-1	0	322.371	0.847	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CN1CCN(C2CC2)C1=O	ZINC000850898477	670953659	/nfs/dbraw/zinc/95/36/59/670953659.db2.gz	HKRVUPQRGCKRIB-NSHDSACASA-N	-1	0	315.333	0.212	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N	ZINC000850951531	670957511	/nfs/dbraw/zinc/95/75/11/670957511.db2.gz	GXDMMKKHWRUEMN-VIFPVBQESA-N	-1	0	307.331	0.922	20	30		DCEDRM
COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000850970231	670958642	/nfs/dbraw/zinc/95/86/42/670958642.db2.gz	ULPSFBIEQWCJFR-SNVBAGLBSA-N	-1	0	316.310	0.164	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C	ZINC000851000685	670960869	/nfs/dbraw/zinc/96/08/69/670960869.db2.gz	YFXFHKGCVMJOJL-CYBMUJFWSA-N	-1	0	319.379	0.203	20	30		DCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851500583	670993353	/nfs/dbraw/zinc/99/33/53/670993353.db2.gz	ARIMWFVTOOYGMC-UHFFFAOYSA-N	-1	0	305.396	0.862	20	30		DCEDRM
C[C@H]1CC[C@H](NC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1	ZINC000858379165	670998684	/nfs/dbraw/zinc/99/86/84/670998684.db2.gz	WPZDKKFVZDFRNS-ONGXEEELSA-N	-1	0	317.349	0.575	20	30		DCEDRM
COC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000819100898	671095631	/nfs/dbraw/zinc/09/56/31/671095631.db2.gz	VEOHAWULNGEHRV-UHFFFAOYSA-N	-1	0	314.319	0.406	20	30		DCEDRM
C#CCSCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000859522021	671122172	/nfs/dbraw/zinc/12/21/72/671122172.db2.gz	FBDFHHHMTGHZER-UHFFFAOYSA-N	-1	0	313.404	0.549	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)COCC(F)F)c1	ZINC000860451045	671209896	/nfs/dbraw/zinc/20/98/96/671209896.db2.gz	LNYXVNGJQVPTMJ-UHFFFAOYSA-N	-1	0	304.274	0.645	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)COCC(F)F	ZINC000860448702	671209913	/nfs/dbraw/zinc/20/99/13/671209913.db2.gz	XHMYJCVUAMJGQD-UHFFFAOYSA-N	-1	0	318.301	0.786	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)c(C(=O)OC)o1	ZINC000860467467	671211654	/nfs/dbraw/zinc/21/16/54/671211654.db2.gz	BLCMLNFUNJXZTB-VIFPVBQESA-N	-1	0	308.290	0.460	20	30		DCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)n1cccn1	ZINC000820652013	671216701	/nfs/dbraw/zinc/21/67/01/671216701.db2.gz	KRQQQLIYMXFZHV-NSHDSACASA-N	-1	0	310.379	0.974	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)oc1C	ZINC000860631464	671225327	/nfs/dbraw/zinc/22/53/27/671225327.db2.gz	VDCKXYPRCFOMER-UHFFFAOYSA-N	-1	0	307.349	0.237	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cn1cc(C)c(C(F)(F)F)n1	ZINC000860631659	671225498	/nfs/dbraw/zinc/22/54/98/671225498.db2.gz	ZMKDDPDRPWXWIK-UHFFFAOYSA-N	-1	0	311.285	0.842	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@]1(C2CCCC2)CCNC1=O	ZINC000860720948	671232952	/nfs/dbraw/zinc/23/29/52/671232952.db2.gz	SNYYXQCRXDMLIS-CQSZACIVSA-N	-1	0	312.391	0.152	20	30		DCEDRM
Cc1cccc(/C=C\C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)c1	ZINC000821012805	671245896	/nfs/dbraw/zinc/24/58/96/671245896.db2.gz	ONFMTZSWBFKYAS-FPLPWBNLSA-N	-1	0	300.314	0.994	20	30		DCEDRM
C[C@@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821584335	671284818	/nfs/dbraw/zinc/28/48/18/671284818.db2.gz	YZBHDPGHRGWTFO-GHMZBOCLSA-N	-1	0	304.368	0.320	20	30		DCEDRM
C[C@@]1(F)CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000823223302	671379336	/nfs/dbraw/zinc/37/93/36/671379336.db2.gz	QHGPFWZBAQWQLY-CQSZACIVSA-N	-1	0	308.313	0.561	20	30		DCEDRM
C=CCCOCCNC(=O)Cc1noc(C)c1-c1nn[nH]n1	ZINC000823899232	671412166	/nfs/dbraw/zinc/41/21/66/671412166.db2.gz	RBHNTKDIKLGMLL-UHFFFAOYSA-N	-1	0	306.326	0.415	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F	ZINC000824232955	671424100	/nfs/dbraw/zinc/42/41/00/671424100.db2.gz	NXKQZOILJLCASF-HTQZYQBOSA-N	-1	0	301.286	0.833	20	30		DCEDRM
C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000824937450	671444591	/nfs/dbraw/zinc/44/45/91/671444591.db2.gz	PSUSMNJHFKLPJH-ZJUUUORDSA-N	-1	0	314.353	0.630	20	30		DCEDRM
N#Cc1cn(CC(=O)N2C[C@@H]3CC=CC[C@@H]3C2)c(=O)[n-]c1=O	ZINC000825392441	671459327	/nfs/dbraw/zinc/45/93/27/671459327.db2.gz	PFJDUFSGRPMVNF-PHIMTYICSA-N	-1	0	300.318	0.245	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1cccc(C#N)c1F	ZINC000826386462	671487231	/nfs/dbraw/zinc/48/72/31/671487231.db2.gz	GKGVYSVEPQDEMH-UHFFFAOYSA-N	-1	0	309.268	0.576	20	30		DCEDRM
C#CCO[C@H](C)C(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000830245792	671620596	/nfs/dbraw/zinc/62/05/96/671620596.db2.gz	UTCOZWPIUZPCPE-SECBINFHSA-N	-1	0	312.347	0.277	20	30		DCEDRM
COC(=O)c1cccc(NC(=O)CN(CC#N)CC(=O)[O-])c1	ZINC000831453693	671669610	/nfs/dbraw/zinc/66/96/10/671669610.db2.gz	YDGLJUSYSLFJKV-UHFFFAOYSA-N	-1	0	305.290	0.322	20	30		DCEDRM
COC[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CCOC1	ZINC000835032140	671786683	/nfs/dbraw/zinc/78/66/83/671786683.db2.gz	QZFWERCSZFJVSG-AWEZNQCLSA-N	-1	0	324.358	0.416	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1	ZINC000835124563	671788073	/nfs/dbraw/zinc/78/80/73/671788073.db2.gz	SBJLNGQPKWNOCZ-GFCCVEGCSA-N	-1	0	322.386	0.444	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1	ZINC000836139669	671818329	/nfs/dbraw/zinc/81/83/29/671818329.db2.gz	IHLZLWJYHOCXDV-JTQLQIEISA-N	-1	0	313.379	0.387	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc(OC)ccn1	ZINC000842681325	672028093	/nfs/dbraw/zinc/02/80/93/672028093.db2.gz	LNYOINMAVZYREF-GFCCVEGCSA-N	-1	0	305.334	0.955	20	30		DCEDRM
C[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2C#N)C[C@@H]1C(=O)[O-]	ZINC000843034909	672055102	/nfs/dbraw/zinc/05/51/02/672055102.db2.gz	DXQNJNTYHQIGCX-KOLCDFICSA-N	-1	0	323.374	0.753	20	30		DCEDRM
N#CCc1ccc(CNC(=O)C(=O)NCCCCC(=O)[O-])cc1	ZINC000843259712	672075985	/nfs/dbraw/zinc/07/59/85/672075985.db2.gz	RBFNWPDBGYCADV-UHFFFAOYSA-N	-1	0	317.345	0.740	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc2c1OCCCO2	ZINC000845441192	672248438	/nfs/dbraw/zinc/24/84/38/672248438.db2.gz	PMLJXVGXCIWWAZ-LBPRGKRZSA-N	-1	0	318.329	0.933	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21	ZINC000845535468	672256825	/nfs/dbraw/zinc/25/68/25/672256825.db2.gz	LWBZNURXTSJZSM-CYBMUJFWSA-N	-1	0	302.334	0.912	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H]1c1ccncc1	ZINC000845544775	672259084	/nfs/dbraw/zinc/25/90/84/672259084.db2.gz	MZDJRTRHXKZVDF-OLZOCXBDSA-N	-1	0	308.359	0.629	20	30		DCEDRM
COC(=O)c1coc(S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)c1	ZINC000845884905	672280422	/nfs/dbraw/zinc/28/04/22/672280422.db2.gz	ATQCJPNSOGAYQH-UHFFFAOYSA-N	-1	0	312.303	0.565	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C(=O)OCC)n(C)c1	ZINC000846152666	672297811	/nfs/dbraw/zinc/29/78/11/672297811.db2.gz	CARPFIUDGAQXAS-SECBINFHSA-N	-1	0	309.322	0.763	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(NC(=O)COC)cc1	ZINC000846152978	672297884	/nfs/dbraw/zinc/29/78/84/672297884.db2.gz	WGTGFATXTUBZSG-JTQLQIEISA-N	-1	0	321.333	0.832	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1nn(C)cc1C(=O)OCC	ZINC000846154187	672297909	/nfs/dbraw/zinc/29/79/09/672297909.db2.gz	PAMHJOCBZLMFTO-QMMMGPOBSA-N	-1	0	310.310	0.158	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2	ZINC000846156146	672298166	/nfs/dbraw/zinc/29/81/66/672298166.db2.gz	YOYNOUBIZAUUBP-SECBINFHSA-N	-1	0	319.317	0.603	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccccc1OCCC(N)=O	ZINC000846156534	672298291	/nfs/dbraw/zinc/29/82/91/672298291.db2.gz	WICLKRHDFPZHJM-JTQLQIEISA-N	-1	0	321.333	0.502	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CCSC)NS(=O)(=O)CC	ZINC000846546489	672326727	/nfs/dbraw/zinc/32/67/27/672326727.db2.gz	VXRLQLYEPXVNKB-VHSXEESVSA-N	-1	0	310.441	0.670	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000846546735	672326770	/nfs/dbraw/zinc/32/67/70/672326770.db2.gz	FHVHZINILQNGRB-WDEREUQCSA-N	-1	0	323.374	0.847	20	30		DCEDRM
Cc1cccnc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984962	685351613	/nfs/dbraw/zinc/35/16/13/685351613.db2.gz	IEMNQSGYJXTMMR-UHFFFAOYSA-N	-1	0	302.315	0.775	20	30		DCEDRM
CC[C@@H](C)[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813985613	685351702	/nfs/dbraw/zinc/35/17/02/685351702.db2.gz	ICILTMCPWCLSFV-BXKDBHETSA-N	-1	0	311.363	0.819	20	30		DCEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000798812606	685346329	/nfs/dbraw/zinc/34/63/29/685346329.db2.gz	VFZZEHSVIFGONX-JTQLQIEISA-N	-1	0	319.346	0.524	20	30		DCEDRM
Cn1ncc2c1C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC2	ZINC000798849060	685347682	/nfs/dbraw/zinc/34/76/82/685347682.db2.gz	QAURLNLIRAYDKH-JTQLQIEISA-N	-1	0	324.406	0.521	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)C(=O)OC	ZINC000841540340	685365328	/nfs/dbraw/zinc/36/53/28/685365328.db2.gz	OMPFHWICNVJGML-VHSXEESVSA-N	-1	0	309.334	0.906	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)[C@@H]1CCOC1	ZINC000850930891	685370840	/nfs/dbraw/zinc/37/08/40/685370840.db2.gz	ZJLNXXLGBIPJEL-NXEZZACHSA-N	-1	0	304.368	0.034	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CCN(CC#N)C2)cc1=O	ZINC001015138556	692206355	/nfs/dbraw/zinc/20/63/55/692206355.db2.gz	YRJYFOCPZZSVAW-GFCCVEGCSA-N	-1	0	305.382	0.089	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001073972757	694808268	/nfs/dbraw/zinc/80/82/68/694808268.db2.gz	DALAZEULPVMEEC-WDEREUQCSA-N	-1	0	306.370	0.483	20	30		DCEDRM
C=CCN1CCO[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21	ZINC001074218691	694842479	/nfs/dbraw/zinc/84/24/79/694842479.db2.gz	CWOBFWBXWKLIKV-NEPJUHHUSA-N	-1	0	306.366	0.525	20	30		DCEDRM
C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3c[n-]n4c3nccc4=O)[C@@H]2C1	ZINC001076334706	695015116	/nfs/dbraw/zinc/01/51/16/695015116.db2.gz	FEKLDPFQKOYZBV-WCQYABFASA-N	-1	0	313.361	0.355	20	30		DCEDRM
C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001076504235	695025449	/nfs/dbraw/zinc/02/54/49/695025449.db2.gz	ROXDJIVHCUWNME-JTQLQIEISA-N	-1	0	322.365	0.088	20	30		DCEDRM
CCOC(=O)c1csc(C(C#N)=C([O-])c2cnnn2C)n1	ZINC001649152170	1158821126	/nfs/dbraw/zinc/82/11/26/1158821126.db2.gz	RBCUTGWWZLYEDB-SSDOTTSWSA-N	-1	0	305.319	0.938	20	30		DCEDRM
N#C[C@]1(F)CCN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1	ZINC001608177014	1159801693	/nfs/dbraw/zinc/80/16/93/1159801693.db2.gz	IXWXAXQYMSGHEA-JFGNBEQYSA-N	-1	0	304.343	0.897	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001572249543	1163077828	/nfs/dbraw/zinc/07/78/28/1163077828.db2.gz	REIXQOHDKQHXSQ-RFAUZJTJSA-N	-1	0	324.381	0.328	20	30		DCEDRM
C#CCCCC(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC001567790454	1160480726	/nfs/dbraw/zinc/48/07/26/1160480726.db2.gz	QKWQJJNRMDYTSO-UHFFFAOYSA-N	-1	0	313.361	0.127	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)Cn1cc(C(C)=O)nn1)C(=O)[O-]	ZINC001573307433	1163412562	/nfs/dbraw/zinc/41/25/62/1163412562.db2.gz	JILRQEAZULOMLU-MRVPVSSYSA-N	-1	0	300.702	0.193	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccc2[nH]c(=O)[nH]c2n1)C(=O)[O-]	ZINC001573308262	1163412654	/nfs/dbraw/zinc/41/26/54/1163412654.db2.gz	QVOIUPYOGGLCLE-MRVPVSSYSA-N	-1	0	310.697	0.989	20	30		DCEDRM
C[C@@H](NS(=O)(=O)CC(C)(C)C#N)C1(C(=O)[O-])CCOCC1	ZINC001573579223	1163509035	/nfs/dbraw/zinc/50/90/35/1163509035.db2.gz	RYVJRIUHUPRJQH-SNVBAGLBSA-N	-1	0	318.395	0.725	20	30		DCEDRM
CC[C@H]1CN(S(=O)(=O)N(CC)CCC#N)C[C@]1(F)C(=O)[O-]	ZINC001573826089	1163560809	/nfs/dbraw/zinc/56/08/09/1163560809.db2.gz	LBLGBJABHOUDLW-CMPLNLGQSA-N	-1	0	321.374	0.601	20	30		DCEDRM
C#CCCCC(=O)N(C)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001576279916	1164289044	/nfs/dbraw/zinc/28/90/44/1164289044.db2.gz	JZTINMNAOLIBBU-LBPRGKRZSA-N	-1	0	318.377	0.900	20	30		DCEDRM
CCn1cc([C@H](C)Nc2cnc(C#N)c(-c3nnn[n-]3)n2)cn1	ZINC001578753901	1165096531	/nfs/dbraw/zinc/09/65/31/1165096531.db2.gz	VZWBPTNNBCQRJX-QMMMGPOBSA-N	-1	0	310.325	0.918	20	30		DCEDRM
CN(C[C@@H](O)c1cccc(C#N)c1)c1ccnc(-c2nnn[n-]2)n1	ZINC001579064203	1165197059	/nfs/dbraw/zinc/19/70/59/1165197059.db2.gz	VNHIPAMWFFOWOB-GFCCVEGCSA-N	-1	0	322.332	0.698	20	30		DCEDRM
CN(c1cnc(-c2nn[nH]n2)c(C#N)n1)[C@@H]1CCCC[C@H]1O	ZINC001579283811	1165259769	/nfs/dbraw/zinc/25/97/69/1165259769.db2.gz	DGFPPHWKEYAJMM-NXEZZACHSA-N	-1	0	300.326	0.268	20	30		DCEDRM
COCC1(C)CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001579741010	1165385238	/nfs/dbraw/zinc/38/52/38/1165385238.db2.gz	XWINQKMQJOUEKC-UHFFFAOYSA-N	-1	0	314.353	0.781	20	30		DCEDRM
Cn1ncc2c1CCC[C@@H]2Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001581834273	1165886248	/nfs/dbraw/zinc/88/62/48/1165886248.db2.gz	ZYMQREBNYBAKCI-VIFPVBQESA-N	-1	0	322.336	0.751	20	30		DCEDRM
N#CCCn1ccc(NC(=O)Cc2ccc(-c3nn[nH]n3)nc2)n1	ZINC001581857464	1165890414	/nfs/dbraw/zinc/89/04/14/1165890414.db2.gz	AVSHQRWJXUTTEP-UHFFFAOYSA-N	-1	0	323.320	0.553	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)Cc1ccc(C#N)cc1	ZINC001581869140	1165895008	/nfs/dbraw/zinc/89/50/08/1165895008.db2.gz	KCDIUFSQKVPTCN-UHFFFAOYSA-N	-1	0	318.300	0.618	20	30		DCEDRM
N#Cc1ncc(Nc2ccc(OCCO)cc2)nc1-c1nnn[n-]1	ZINC001581885022	1165903240	/nfs/dbraw/zinc/90/32/40/1165903240.db2.gz	KVVACDSYXZQMDJ-UHFFFAOYSA-N	-1	0	324.304	0.643	20	30		DCEDRM
N#Cc1ncc(NC[C@@H]2CCC[C@@H](O)C2)nc1-c1nnn[n-]1	ZINC001581884195	1165905109	/nfs/dbraw/zinc/90/51/09/1165905109.db2.gz	ONPNEMFVMXMMEF-RKDXNWHRSA-N	-1	0	300.326	0.491	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)C[C@H](C)COC1CCCC1)C(=O)[O-]	ZINC001588423492	1166553869	/nfs/dbraw/zinc/55/38/69/1166553869.db2.gz	IXNWQHHMRHUJKC-DGCLKSJQSA-N	-1	0	317.407	0.978	20	30		DCEDRM
C=CC[C@H](CC)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001588541567	1166559563	/nfs/dbraw/zinc/55/95/63/1166559563.db2.gz	OHGKPTRXUIPYGL-VIFPVBQESA-N	-1	0	305.346	0.112	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccc(-c2nn[nH]n2)cc1OC	ZINC001588518482	1166561199	/nfs/dbraw/zinc/56/11/99/1166561199.db2.gz	DKRVPQRRFMZZMZ-VIFPVBQESA-N	-1	0	319.321	0.876	20	30		DCEDRM
C=CCCNC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC001588609329	1166569391	/nfs/dbraw/zinc/56/93/91/1166569391.db2.gz	MKSNKTJPJADELU-UHFFFAOYSA-N	-1	0	306.351	0.995	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)c(C)n1	ZINC001588728548	1166582879	/nfs/dbraw/zinc/58/28/79/1166582879.db2.gz	SAAVBJWCQAJSHQ-PWSUYJOCSA-N	-1	0	300.322	0.643	20	30		DCEDRM
CC(C)CO[C@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001589640683	1166671511	/nfs/dbraw/zinc/67/15/11/1166671511.db2.gz	ULTWBPQQKFWXMM-JTQLQIEISA-N	-1	0	314.353	0.780	20	30		DCEDRM
CCCCCCCn1c(=O)c(-c2nnn[n-]2)cn(CCO)c1=O	ZINC001590594848	1166946993	/nfs/dbraw/zinc/94/69/93/1166946993.db2.gz	UVWIWUKTSAJRMJ-UHFFFAOYSA-N	-1	0	322.369	0.153	20	30		DCEDRM
COC1(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)CCCC1	ZINC001591343424	1167225783	/nfs/dbraw/zinc/22/57/83/1167225783.db2.gz	UEOVYJMNDYOXNY-UHFFFAOYSA-N	-1	0	300.326	0.899	20	30		DCEDRM
CSC[C@@H]1CCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001591697999	1167358182	/nfs/dbraw/zinc/35/81/82/1167358182.db2.gz	FICWOOLSHBXCQK-QMMMGPOBSA-N	-1	0	302.367	0.860	20	30		DCEDRM
Cc1cc(-c2nn[nH]n2)cnc1C([O-])=C(C#N)c1ccncn1	ZINC001591873072	1167403292	/nfs/dbraw/zinc/40/32/92/1167403292.db2.gz	CJEIENXMXGFOAE-SNVBAGLBSA-N	-1	0	306.289	0.850	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(-c2nn[nH]n2)c1	ZINC001592666331	1167592940	/nfs/dbraw/zinc/59/29/40/1167592940.db2.gz	YKCIKCDJTCZIRY-GFCCVEGCSA-N	-1	0	310.317	0.812	20	30		DCEDRM
N#Cc1nc(NC(=O)c2nccnc2Cl)[n-]c1-c1nn[nH]n1	ZINC001592682298	1167600680	/nfs/dbraw/zinc/60/06/80/1167600680.db2.gz	VYHBBLPMBVTFAW-UHFFFAOYSA-N	-1	0	316.672	0.157	20	30		DCEDRM
N#Cc1nc(NC(=O)c2nc(Cl)cs2)[n-]c1-c1nn[nH]n1	ZINC001592682120	1167600750	/nfs/dbraw/zinc/60/07/50/1167600750.db2.gz	PZNPEUAVWYFBQJ-UHFFFAOYSA-N	-1	0	321.713	0.824	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@@H]2[C@H]2CCCO2)nc1-c1nnn[n-]1	ZINC001592708450	1167607163	/nfs/dbraw/zinc/60/71/63/1167607163.db2.gz	RPTLNNXDXCAERM-GHMZBOCLSA-N	-1	0	312.337	0.676	20	30		DCEDRM
C#CCOCCNC(=O)c1nc[n-]c(=O)c1Br	ZINC001597462618	1168008777	/nfs/dbraw/zinc/00/87/77/1168008777.db2.gz	NEZAQHJNBACVHC-UHFFFAOYSA-N	-1	0	300.112	0.324	20	30		DCEDRM
Cc1c(NC(=O)[C@H](O)c2ccc(C#N)cc2)cnn1CC(=O)[O-]	ZINC001600031627	1168104991	/nfs/dbraw/zinc/10/49/91/1168104991.db2.gz	ZJXMHFYHFPPLTK-CQSZACIVSA-N	-1	0	314.301	0.820	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c(C#N)c1	ZINC001600474841	1168190031	/nfs/dbraw/zinc/19/00/31/1168190031.db2.gz	BVMBYNJFCXBABR-NEPJUHHUSA-N	-1	0	324.358	0.323	20	30		DCEDRM
Cc1nc(NCCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])ccc1C#N	ZINC001600715837	1168261843	/nfs/dbraw/zinc/26/18/43/1168261843.db2.gz	HFTFWAZEHDSKML-NWDGAFQWSA-N	-1	0	302.334	0.901	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)OCCCc1cn(CC(=O)[O-])nn1	ZINC001600822297	1168476747	/nfs/dbraw/zinc/47/67/47/1168476747.db2.gz	RCEBDZMNEUIBLD-UHFFFAOYSA-N	-1	0	318.289	0.925	20	30		DCEDRM
Cn1c(-c2cnn(CCC#N)c2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001600892939	1168496309	/nfs/dbraw/zinc/49/63/09/1168496309.db2.gz	CLRBHIBHAMVDOX-JTQLQIEISA-N	-1	0	315.337	0.503	20	30		DCEDRM
Cn1c(C(=O)N(CC#N)CCC(=O)[O-])cc2ccccc2c1=O	ZINC001600899033	1168499375	/nfs/dbraw/zinc/49/93/75/1168499375.db2.gz	DNCFRHDZVPBQCZ-UHFFFAOYSA-N	-1	0	313.313	0.979	20	30		DCEDRM
N#C[C@@]1(C(=O)NCCC(=O)NCCC(=O)[O-])CC2CCC1CC2	ZINC001601050048	1168577511	/nfs/dbraw/zinc/57/75/11/1168577511.db2.gz	BZWUQQYUNCNCTQ-PPUFBPAQSA-N	-1	0	321.377	0.804	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CO[C@H](C3CC3)C2)CC1	ZINC001601051288	1168577730	/nfs/dbraw/zinc/57/77/30/1168577730.db2.gz	JRFSOPJYJQIABM-NEPJUHHUSA-N	-1	0	307.350	0.954	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN(C3CC3)C2=O)CC1	ZINC001601049671	1168577819	/nfs/dbraw/zinc/57/78/19/1168577819.db2.gz	UGKAQGRCUOXBKB-LBPRGKRZSA-N	-1	0	319.361	0.604	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)Nc2cncc(C(=O)[O-])c2)CCN1C1CC1	ZINC001601061267	1168579301	/nfs/dbraw/zinc/57/93/01/1168579301.db2.gz	WBXPMPKBMKASOR-CYBMUJFWSA-N	-1	0	315.333	0.984	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1	ZINC001601063930	1168579587	/nfs/dbraw/zinc/57/95/87/1168579587.db2.gz	DXISSASEJACEFP-SNVBAGLBSA-N	-1	0	306.326	0.312	20	30		DCEDRM
N#CC[C@@]1(O)CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1	ZINC001601062619	1168579662	/nfs/dbraw/zinc/57/96/62/1168579662.db2.gz	LDGPISLXHRISBS-LLVKDONJSA-N	-1	0	300.292	0.017	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1	ZINC001601063562	1168580049	/nfs/dbraw/zinc/58/00/49/1168580049.db2.gz	SYEYRLKPFBDYEJ-UHFFFAOYSA-N	-1	0	311.275	0.437	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)NCc2ncc(C(=O)[O-])s2)C1	ZINC001601062300	1168580052	/nfs/dbraw/zinc/58/00/52/1168580052.db2.gz	HRLSEISRZFPYCM-GFCCVEGCSA-N	-1	0	310.335	0.401	20	30		DCEDRM
N#CCCNC(=O)CN1CCOc2ccccc2[C@@H]1C(=O)[O-]	ZINC001601068330	1168580497	/nfs/dbraw/zinc/58/04/97/1168580497.db2.gz	SXTQHIOXOSMWPH-CQSZACIVSA-N	-1	0	303.318	0.537	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N(C2CCCC2)C1	ZINC001601071084	1168580938	/nfs/dbraw/zinc/58/09/38/1168580938.db2.gz	RFYPUISMXHJKMZ-NSHDSACASA-N	-1	0	307.350	0.604	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1	ZINC001601070857	1168581178	/nfs/dbraw/zinc/58/11/78/1168581178.db2.gz	XRQZRHFQQICMDL-HUUCEWRRSA-N	-1	0	318.329	0.970	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1COCCN1CC(F)(F)F	ZINC001601071286	1168581212	/nfs/dbraw/zinc/58/12/12/1168581212.db2.gz	YPJRHBDREVIHAO-VIFPVBQESA-N	-1	0	323.271	0.076	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)C1Cc2ccccc2C1	ZINC001601072831	1168581601	/nfs/dbraw/zinc/58/16/01/1168581601.db2.gz	OMOJUXWZINQIFZ-UHFFFAOYSA-N	-1	0	308.359	0.784	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cncc(-n2ccnn2)c1	ZINC001601072411	1168581760	/nfs/dbraw/zinc/58/17/60/1168581760.db2.gz	TWXTVRRCMXKXAU-UHFFFAOYSA-N	-1	0	300.278	0.103	20	30		DCEDRM
N#CCN1CCC(CNC(=O)CCc2ocnc2C(=O)[O-])CC1	ZINC001601073216	1168581912	/nfs/dbraw/zinc/58/19/12/1168581912.db2.gz	ILJGHVVYPFOREB-UHFFFAOYSA-N	-1	0	320.349	0.657	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)CC[C@@H]1CC1(Cl)Cl	ZINC001601072769	1168581973	/nfs/dbraw/zinc/58/19/73/1168581973.db2.gz	WUBLKTZMAGXXEE-SSDOTTSWSA-N	-1	0	315.178	0.810	20	30		DCEDRM
N#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001601074490	1168582089	/nfs/dbraw/zinc/58/20/89/1168582089.db2.gz	AVARPNOBGGXCCJ-KGLIPLIRSA-N	-1	0	301.346	0.849	20	30		DCEDRM
N#CCN1CCC(NS(=O)(=O)c2cccnc2C(=O)[O-])CC1	ZINC001601074751	1168582182	/nfs/dbraw/zinc/58/21/82/1168582182.db2.gz	PFZQGUVMOHOQBM-UHFFFAOYSA-N	-1	0	324.362	0.046	20	30		DCEDRM
N#CCOc1cccc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)c1	ZINC001601075633	1168582416	/nfs/dbraw/zinc/58/24/16/1168582416.db2.gz	MADKNWRPKIEIMD-CQSZACIVSA-N	-1	0	305.290	0.642	20	30		DCEDRM
N#CCc1ccsc1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001601078964	1168582962	/nfs/dbraw/zinc/58/29/62/1168582962.db2.gz	KYAPLUQDVBVKFD-VIFPVBQESA-N	-1	0	310.331	0.760	20	30		DCEDRM
N#CCc1ccnc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1	ZINC001601078769	1168583098	/nfs/dbraw/zinc/58/30/98/1168583098.db2.gz	ZSACOLMOKRCOLD-NSHDSACASA-N	-1	0	304.306	0.855	20	30		DCEDRM
N#CCc1cccc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1	ZINC001601078015	1168583105	/nfs/dbraw/zinc/58/31/05/1168583105.db2.gz	NCPZTNHANFCWSY-MWLCHTKSSA-N	-1	0	304.306	0.447	20	30		DCEDRM
N#Cc1c(N)c(NC(=O)Cn2cc(C(=O)[O-])cn2)ccc1F	ZINC001601082869	1168583178	/nfs/dbraw/zinc/58/31/78/1168583178.db2.gz	SVPNWLHUUDMSTR-UHFFFAOYSA-N	-1	0	303.253	0.813	20	30		DCEDRM
N#Cc1cc(C(=O)OCc2noc(CCC(=O)[O-])n2)ccn1	ZINC001601088303	1168583432	/nfs/dbraw/zinc/58/34/32/1168583432.db2.gz	YTZGUCJQTPCYAY-UHFFFAOYSA-N	-1	0	302.246	0.710	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)c1	ZINC001601085095	1168583435	/nfs/dbraw/zinc/58/34/35/1168583435.db2.gz	MXLGCMYDTABUKY-LLVKDONJSA-N	-1	0	305.290	0.509	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)nc1	ZINC001601101802	1168585344	/nfs/dbraw/zinc/58/53/44/1168585344.db2.gz	KTPJGDMMLVNRMZ-UHFFFAOYSA-N	-1	0	307.287	0.723	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)NC2CC(C(=O)[O-])C2)c1	ZINC001601102497	1168585370	/nfs/dbraw/zinc/58/53/70/1168585370.db2.gz	FESLUXRVPBRFSY-UHFFFAOYSA-N	-1	0	312.322	0.980	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)c2ccc(C(=O)[O-])cn2)nc1	ZINC001601107847	1168586210	/nfs/dbraw/zinc/58/62/10/1168586210.db2.gz	NNZHFYVKXPUCQM-UHFFFAOYSA-N	-1	0	311.301	0.888	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1	ZINC001601121823	1168588536	/nfs/dbraw/zinc/58/85/36/1168588536.db2.gz	YWARTGZMRHLKBN-RYUDHWBXSA-N	-1	0	310.331	0.157	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1	ZINC001601122564	1168588714	/nfs/dbraw/zinc/58/87/14/1168588714.db2.gz	AKRFBMPRULALGT-STQMWFEESA-N	-1	0	324.358	0.298	20	30		DCEDRM
N#Cc1cnc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(Cl)c1	ZINC001601129219	1168589375	/nfs/dbraw/zinc/58/93/75/1168589375.db2.gz	RSGZEGNHGQSBAY-RKDXNWHRSA-N	-1	0	309.709	0.514	20	30		DCEDRM
N#Cc1ccncc1C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001601128097	1168589414	/nfs/dbraw/zinc/58/94/14/1168589414.db2.gz	AFWKAEFJQJVSIJ-NSHDSACASA-N	-1	0	305.290	0.289	20	30		DCEDRM
N#Cc1cnn2cc(C[NH2+][C@@]3(CC(=O)[O-])CCCOC3)cnc12	ZINC001601131335	1168590672	/nfs/dbraw/zinc/59/06/72/1168590672.db2.gz	WJWCKYFGTLNHDN-OAHLLOKOSA-N	-1	0	315.333	0.714	20	30		DCEDRM
N#Cc1cncc(N(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C2CC2)n1	ZINC001601130217	1168591217	/nfs/dbraw/zinc/59/12/17/1168591217.db2.gz	BGYGBBNHFZXRMX-VXGBXAGGSA-N	-1	0	315.333	0.154	20	30		DCEDRM
N#Cc1ccsc1NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001601129917	1168591932	/nfs/dbraw/zinc/59/19/32/1168591932.db2.gz	ZGUFPCNMJFHZLN-VIFPVBQESA-N	-1	0	323.330	0.260	20	30		DCEDRM
N#Cc1cnn(-c2ccccc2NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1N	ZINC001601131844	1168593244	/nfs/dbraw/zinc/59/32/44/1168593244.db2.gz	UESVPSNXYOHDLK-VHSXEESVSA-N	-1	0	311.301	0.985	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCO[C@H](C(=O)C2CC2)C1	ZINC001601132680	1168593390	/nfs/dbraw/zinc/59/33/90/1168593390.db2.gz	ATSLWOAGBDJWEN-ZDUSSCGKSA-N	-1	0	301.302	0.836	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC001601135140	1168593459	/nfs/dbraw/zinc/59/34/59/1168593459.db2.gz	ITZAUIHYPVSBQX-RGOKHQFPSA-N	-1	0	307.331	0.341	20	30		DCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)N[C@@]1(C(=O)[O-])CCSC1	ZINC001601223745	1168666211	/nfs/dbraw/zinc/66/62/11/1168666211.db2.gz	KULAVYHRKKSXPQ-HNNXBMFYSA-N	-1	0	319.338	0.843	20	30		DCEDRM
O=C([O-])[C@@H]1COCCN1C(=O)C(=O)/C=C/c1ccc(F)cc1	ZINC001601238979	1168672747	/nfs/dbraw/zinc/67/27/47/1168672747.db2.gz	PYXNWPRFOILURA-UXONFWTHSA-N	-1	0	307.277	0.720	20	30		DCEDRM
O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCCN(O)C1=O	ZINC001601292163	1168692882	/nfs/dbraw/zinc/69/28/82/1168692882.db2.gz	LIERLSLWQVTGEH-LBPRGKRZSA-N	-1	0	306.318	0.814	20	30		DCEDRM
O=C([O-])[C@@H]1CCCN(CC(=O)OCC#Cc2ccccc2)C1=O	ZINC001601310402	1168701054	/nfs/dbraw/zinc/70/10/54/1168701054.db2.gz	NLVTUORKTLSJPS-CQSZACIVSA-N	-1	0	315.325	0.905	20	30		DCEDRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1	ZINC001601776054	1168874833	/nfs/dbraw/zinc/87/48/33/1168874833.db2.gz	RHVDNJADFSFHER-RFQIPJPRSA-N	-1	0	316.357	0.322	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)[C@H]1CCCO1	ZINC001602678726	1169156936	/nfs/dbraw/zinc/15/69/36/1169156936.db2.gz	PNGDZEKATVMIDE-GHMZBOCLSA-N	-1	0	301.364	0.342	20	30		DCEDRM
C#CC1(O)CN(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)C1	ZINC001602676764	1169157353	/nfs/dbraw/zinc/15/73/53/1169157353.db2.gz	HKNOKXIJDWWJIQ-UHFFFAOYSA-N	-1	0	309.347	0.717	20	30		DCEDRM
C#CC[C@H](NC(=O)C12CC(C1)CN2C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001602685095	1169158219	/nfs/dbraw/zinc/15/82/19/1169158219.db2.gz	MCWQWURPSDZNII-CSJGVYOVSA-N	-1	0	322.361	0.979	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001602682909	1169158733	/nfs/dbraw/zinc/15/87/33/1169158733.db2.gz	GZOQUIBBKUEDRX-QWRGUYRKSA-N	-1	0	320.349	0.754	20	30		DCEDRM
C#CC[C@H](NC(=O)C1(c2cc(C)no2)CCOCC1)C(=O)[O-]	ZINC001602684921	1169158827	/nfs/dbraw/zinc/15/88/27/1169158827.db2.gz	JYDZCDATNXDBLE-NSHDSACASA-N	-1	0	306.318	0.624	20	30		DCEDRM
C#CC[C@H](NC(=O)CCc1nc(-c2ccco2)no1)C(=O)[O-]	ZINC001602687794	1169160996	/nfs/dbraw/zinc/16/09/96/1169160996.db2.gz	VZWKPDPLYAGAJN-VIFPVBQESA-N	-1	0	303.274	0.855	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1	ZINC001602689322	1169161230	/nfs/dbraw/zinc/16/12/30/1169161230.db2.gz	QVPYCXYLWDGNCG-BYPYZUCNSA-N	-1	0	313.730	0.092	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)C1	ZINC001602699957	1169164553	/nfs/dbraw/zinc/16/45/53/1169164553.db2.gz	NHDWCTVFOCVZLS-YNEHKIRRSA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1sc(CC)cc1C(=O)[O-]	ZINC001602728236	1169174305	/nfs/dbraw/zinc/17/43/05/1169174305.db2.gz	OYFVBILFNLEHGD-UHFFFAOYSA-N	-1	0	324.358	0.713	20	30		DCEDRM
C#CCO[C@H](C)C(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1	ZINC001602728458	1169175006	/nfs/dbraw/zinc/17/50/06/1169175006.db2.gz	ZFKLMHLHQMVSFV-RXMQYKEDSA-N	-1	0	312.742	0.953	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cc1	ZINC001602738883	1169175967	/nfs/dbraw/zinc/17/59/67/1169175967.db2.gz	QKIJSRAWQAJCFZ-JQWIXIFHSA-N	-1	0	304.277	0.630	20	30		DCEDRM
C#Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1	ZINC001602738434	1169176125	/nfs/dbraw/zinc/17/61/25/1169176125.db2.gz	APNOCOJYTQNHOU-CYBMUJFWSA-N	-1	0	315.329	0.865	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c1	ZINC001602742169	1169176572	/nfs/dbraw/zinc/17/65/72/1169176572.db2.gz	GVINBLOTNAXFSR-BXUZGUMPSA-N	-1	0	314.341	0.606	20	30		DCEDRM
C=C(Br)Cn1nnnc1N1CCC(C(=O)[O-])CC1	ZINC001602744721	1169178389	/nfs/dbraw/zinc/17/83/89/1169178389.db2.gz	MAPPFGJNZMNLHT-UHFFFAOYSA-N	-1	0	316.159	0.883	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1	ZINC001602757028	1169179920	/nfs/dbraw/zinc/17/99/20/1169179920.db2.gz	DMKVJBAZXDZYNY-NSHDSACASA-N	-1	0	308.338	0.420	20	30		DCEDRM
C=C(C)COCCn1nnnc1N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001602764735	1169180617	/nfs/dbraw/zinc/18/06/17/1169180617.db2.gz	NZHQSAHZQFRCQX-CQSZACIVSA-N	-1	0	309.370	0.957	20	30		DCEDRM
C=C(C)Cn1c(CC(C)(C)O)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602768895	1169181918	/nfs/dbraw/zinc/18/19/18/1169181918.db2.gz	PNHNJOKNPAMTNM-LLVKDONJSA-N	-1	0	324.381	0.457	20	30		DCEDRM
C=C1CCC(CNC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1	ZINC001602791887	1169184171	/nfs/dbraw/zinc/18/41/71/1169184171.db2.gz	DFKGQKCURRPTIK-CHWSQXEVSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=C[C@H](OC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)C(=O)[O-]	ZINC001602819951	1169187684	/nfs/dbraw/zinc/18/76/84/1169187684.db2.gz	ATYCLVUZDIDTPE-UPJWGTAASA-N	-1	0	323.345	0.610	20	30		DCEDRM
C=C[C@H](O)C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001602820942	1169187726	/nfs/dbraw/zinc/18/77/26/1169187726.db2.gz	QTWURUODDBBYQP-IUCAKERBSA-N	-1	0	310.331	0.215	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CCO[C@H](CC(=O)[O-])C2)n1CC(=C)C	ZINC001602820444	1169187861	/nfs/dbraw/zinc/18/78/61/1169187861.db2.gz	HMUXCRUUTFIETJ-VXGBXAGGSA-N	-1	0	322.365	0.754	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@](F)(C(=O)[O-])C2)n1CC1CC1	ZINC001602821175	1169188574	/nfs/dbraw/zinc/18/85/74/1169188574.db2.gz	WPQPGEHLIFIZJW-IINYFYTJSA-N	-1	0	310.329	0.911	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001602842964	1169192781	/nfs/dbraw/zinc/19/27/81/1169192781.db2.gz	SVUDMVMVXIHGDD-GFCCVEGCSA-N	-1	0	306.318	0.305	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)[O-]	ZINC001602862398	1169194457	/nfs/dbraw/zinc/19/44/57/1169194457.db2.gz	DMQJJWGUZDKEMU-MLGOLLRUSA-N	-1	0	322.361	0.525	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC001602880346	1169197879	/nfs/dbraw/zinc/19/78/79/1169197879.db2.gz	LGLOPGAUGPTCGJ-GHMZBOCLSA-N	-1	0	319.379	0.621	20	30		DCEDRM
C=CCCn1cc(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)nn1	ZINC001602884945	1169198095	/nfs/dbraw/zinc/19/80/95/1169198095.db2.gz	YOTZNSJCUIBTTR-JGZJWPJOSA-N	-1	0	314.367	0.137	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001602887858	1169200326	/nfs/dbraw/zinc/20/03/26/1169200326.db2.gz	UVHQYVIEQZQSIS-STQMWFEESA-N	-1	0	324.377	0.525	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001602887855	1169200462	/nfs/dbraw/zinc/20/04/62/1169200462.db2.gz	UVHQYVIEQZQSIS-CHWSQXEVSA-N	-1	0	324.377	0.525	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(OCC(=O)[O-])cc1	ZINC001602902212	1169201946	/nfs/dbraw/zinc/20/19/46/1169201946.db2.gz	UCIOIPXDZXKGGX-SNVBAGLBSA-N	-1	0	321.333	0.962	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cn(C2CC2)c(C)cc1=O)C(=O)[O-]	ZINC001602913185	1169203348	/nfs/dbraw/zinc/20/33/48/1169203348.db2.gz	LIFMBKGIYLNSRX-CYBMUJFWSA-N	-1	0	320.345	0.877	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1nnn(C)c1C(F)(F)F)C(=O)[O-]	ZINC001602914988	1169204182	/nfs/dbraw/zinc/20/41/82/1169204182.db2.gz	NITHXPBFEDVBIF-ZCFIWIBFSA-N	-1	0	322.243	0.220	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001602915773	1169204385	/nfs/dbraw/zinc/20/43/85/1169204385.db2.gz	XICZWSVNZWOHPV-UHFFFAOYSA-N	-1	0	322.317	0.651	20	30		DCEDRM
C=CCOC[C@H](NCc1nc(Br)nn1C)C(=O)[O-]	ZINC001602914864	1169205078	/nfs/dbraw/zinc/20/50/78/1169205078.db2.gz	ISBJBWRDDAJNDZ-ZETCQYMHSA-N	-1	0	319.159	0.323	20	30		DCEDRM
C=CCn1c([C@H](O)/C=C\CC)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602931730	1169210672	/nfs/dbraw/zinc/21/06/72/1169210672.db2.gz	AGXAWLITZQABMP-GKKDLHFNSA-N	-1	0	322.365	0.754	20	30		DCEDRM
C=CCn1cc(C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)nn1	ZINC001602937852	1169212996	/nfs/dbraw/zinc/21/29/96/1169212996.db2.gz	KZOVUYPXSPERRC-MRVPVSSYSA-N	-1	0	306.282	0.058	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001602942193	1169214964	/nfs/dbraw/zinc/21/49/64/1169214964.db2.gz	UELQVOWIYCMGPV-NEPJUHHUSA-N	-1	0	322.292	0.922	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O	ZINC001602942274	1169215021	/nfs/dbraw/zinc/21/50/21/1169215021.db2.gz	YMHSAHGLFHKZFK-KXNHARMFSA-N	-1	0	308.334	0.705	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCCCNc1ncc(-c2nn[nH]n2)cc1F	ZINC001602983419	1169223744	/nfs/dbraw/zinc/22/37/44/1169223744.db2.gz	IGUFRTLFZYDLOA-QMMMGPOBSA-N	-1	0	318.316	0.479	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@H]21	ZINC001603130082	1169249960	/nfs/dbraw/zinc/24/99/60/1169249960.db2.gz	QVZGLRQLSPRZAB-JBLDHEPKSA-N	-1	0	315.333	0.372	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1c1ncc(C(=O)[O-])cn1	ZINC001603129384	1169250402	/nfs/dbraw/zinc/25/04/02/1169250402.db2.gz	FJRVALYOIBRFEG-JQWIXIFHSA-N	-1	0	317.349	0.810	20	30		DCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC001603130661	1169250707	/nfs/dbraw/zinc/25/07/07/1169250707.db2.gz	ZGBUBNNJGWVZAA-SNVBAGLBSA-N	-1	0	319.317	0.754	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1c1ncc(C(=O)[O-])cn1	ZINC001603129385	1169250980	/nfs/dbraw/zinc/25/09/80/1169250980.db2.gz	FJRVALYOIBRFEG-PWSUYJOCSA-N	-1	0	317.349	0.810	20	30		DCEDRM
C[C@H](Cc1ccco1)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001603585223	1169328957	/nfs/dbraw/zinc/32/89/57/1169328957.db2.gz	SLERYZCNVXFRIG-SSDOTTSWSA-N	-1	0	312.293	0.872	20	30		DCEDRM
CC(C)S(=O)(=O)CC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001603957378	1169453360	/nfs/dbraw/zinc/45/33/60/1169453360.db2.gz	JOYZYXJIXKKEDO-UHFFFAOYSA-N	-1	0	302.352	0.027	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N([C@@H](C)C(=O)[O-])C1CCC1	ZINC001604061322	1169484536	/nfs/dbraw/zinc/48/45/36/1169484536.db2.gz	RYZAAMMFTRZOPN-UWVGGRQHSA-N	-1	0	303.384	0.793	20	30		DCEDRM
C[C@@H](O)[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001604387242	1169579885	/nfs/dbraw/zinc/57/98/85/1169579885.db2.gz	MIZGWDQMCNSRHE-BXKDBHETSA-N	-1	0	324.358	0.790	20	30		DCEDRM
CCc1cccnc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001604536428	1169610542	/nfs/dbraw/zinc/61/05/42/1169610542.db2.gz	BJRWEBDLNHVIOE-UHFFFAOYSA-N	-1	0	309.293	0.671	20	30		DCEDRM
CCc1nnsc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001604585746	1169624066	/nfs/dbraw/zinc/62/40/66/1169624066.db2.gz	ZWXDPFAXJMKZQQ-UHFFFAOYSA-N	-1	0	316.310	0.128	20	30		DCEDRM
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CO1	ZINC001604677381	1169651956	/nfs/dbraw/zinc/65/19/56/1169651956.db2.gz	RAQHETYEJGUXPB-SCZZXKLOSA-N	-1	0	310.331	0.712	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C[C@@H]1C	ZINC001604740373	1169667676	/nfs/dbraw/zinc/66/76/76/1169667676.db2.gz	PVFCOUWRFLHHKL-NEPJUHHUSA-N	-1	0	321.377	0.708	20	30		DCEDRM
CCCC[C@H](C(=O)[O-])N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC001605236428	1169880356	/nfs/dbraw/zinc/88/03/56/1169880356.db2.gz	ZVIOXLOTAXEQKN-DMDPSCGWSA-N	-1	0	300.380	0.500	20	30		DCEDRM
CCCC[C@@H](NC(N)=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001605245556	1169881975	/nfs/dbraw/zinc/88/19/75/1169881975.db2.gz	DBEANJQNPBIGMF-SNVBAGLBSA-N	-1	0	310.354	0.430	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(C#N)nn1	ZINC001605448501	1169924573	/nfs/dbraw/zinc/92/45/73/1169924573.db2.gz	DEJUWYMMPYFWRK-MNOVXSKESA-N	-1	0	303.322	0.011	20	30		DCEDRM
Cc1cc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)ccc1N(C)C	ZINC001605671356	1169984456	/nfs/dbraw/zinc/98/44/56/1169984456.db2.gz	MVYZSHODTPWFJY-UHFFFAOYSA-N	-1	0	323.364	0.940	20	30		DCEDRM
CCc1cc(C(=O)[O-])ccc1NC(=O)NCC(=O)NCC#N	ZINC001605793803	1170002130	/nfs/dbraw/zinc/00/21/30/1170002130.db2.gz	BCKYGCQTRLYBDO-UHFFFAOYSA-N	-1	0	304.306	0.708	20	30		DCEDRM
Cc1ccc(OCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cc1	ZINC001605878576	1170019263	/nfs/dbraw/zinc/01/92/63/1170019263.db2.gz	NHPHWDRSPBETIS-UHFFFAOYSA-N	-1	0	324.304	0.787	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(CC(=O)c2ccc(C(=O)[O-])o2)c1=O	ZINC001605915267	1170025930	/nfs/dbraw/zinc/02/59/30/1170025930.db2.gz	IOSWFIXRNSQINH-UHFFFAOYSA-N	-1	0	317.257	0.076	20	30		DCEDRM
CNC(=O)N1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1	ZINC001606278421	1170147004	/nfs/dbraw/zinc/14/70/04/1170147004.db2.gz	VJKMQHFGRXTKBM-UHFFFAOYSA-N	-1	0	302.334	0.713	20	30		DCEDRM
N#Cc1ncc(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)nc1-c1nnn[n-]1	ZINC001606398069	1170184329	/nfs/dbraw/zinc/18/43/29/1170184329.db2.gz	KJQLWZXNSZKIQM-UJLBONMZSA-N	-1	0	310.321	0.364	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])/N=C/c1c(CO)cnc(C)c1O	ZINC001606501715	1170220685	/nfs/dbraw/zinc/22/06/85/1170220685.db2.gz	KETKNSDZSCRQRE-OHUUDMDPSA-N	-1	0	310.306	0.413	20	30		DCEDRM
COCCCNC(=O)[C@@H](C#N)C(=O)Cc1ccccc1C(=O)[O-]	ZINC001606869456	1170319247	/nfs/dbraw/zinc/31/92/47/1170319247.db2.gz	JZYVNJZXYIPTBG-ZDUSSCGKSA-N	-1	0	318.329	0.789	20	30		DCEDRM
Cc1c(C#N)c(NC(=O)CCc2ocnc2C(=O)[O-])nn1C	ZINC001607504167	1170469472	/nfs/dbraw/zinc/46/94/72/1170469472.db2.gz	FYOXEVPBYUNPRT-UHFFFAOYSA-N	-1	0	303.278	0.858	20	30		DCEDRM
Cc1cc(C(=O)N(CC#N)CCC(=O)[O-])c2cnn(C)c2n1	ZINC001607570413	1170477558	/nfs/dbraw/zinc/47/75/58/1170477558.db2.gz	WCOLTCOPXDTTBR-UHFFFAOYSA-N	-1	0	301.306	0.717	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])n(CCC#N)n1	ZINC001607672428	1170493810	/nfs/dbraw/zinc/49/38/10/1170493810.db2.gz	NWRKNKZKUJOAGN-UHFFFAOYSA-N	-1	0	321.337	0.271	20	30		DCEDRM
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)C(=O)[O-])CC2)o1	ZINC001607943481	1170530834	/nfs/dbraw/zinc/53/08/34/1170530834.db2.gz	NAWYLRXTPGKFNG-QMMMGPOBSA-N	-1	0	306.322	0.660	20	30		DCEDRM
Cc1oc(C=NN[C@@H]2CCCS(=O)(=O)C2)cc1C(=O)[O-]	ZINC001608043664	1170557087	/nfs/dbraw/zinc/55/70/87/1170557087.db2.gz	XTSOSIMIEBJVCO-SECBINFHSA-N	-1	0	300.336	0.787	20	30		DCEDRM
Cc1onc(CC(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)c1C#N	ZINC001608058634	1170564002	/nfs/dbraw/zinc/56/40/02/1170564002.db2.gz	KWMZAPNDUSVNAW-GFCCVEGCSA-N	-1	0	303.278	0.073	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C2C[C@@H]3COC[C@H](C2)C3=O)CC1	ZINC001608170982	1170608537	/nfs/dbraw/zinc/60/85/37/1170608537.db2.gz	DHZAEKYANVWCMR-YOGCLGLASA-N	-1	0	320.345	0.445	20	30		DCEDRM
N#C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1	ZINC001608178387	1170610995	/nfs/dbraw/zinc/61/09/95/1170610995.db2.gz	JYYKGRZLHYEWCE-OFTGVCEQSA-N	-1	0	319.361	0.364	20	30		DCEDRM
N#CCC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC001608178819	1170611020	/nfs/dbraw/zinc/61/10/20/1170611020.db2.gz	CDJYPWMIOXBIGN-OAHLLOKOSA-N	-1	0	312.329	0.742	20	30		DCEDRM
N#CCCn1ccc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1	ZINC001608183499	1170611842	/nfs/dbraw/zinc/61/18/42/1170611842.db2.gz	OJLJCEIYQZNVKW-NXEZZACHSA-N	-1	0	307.310	0.096	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1	ZINC001608186340	1170612991	/nfs/dbraw/zinc/61/29/91/1170612991.db2.gz	LBWARUBZPGKXSG-RYUDHWBXSA-N	-1	0	316.379	0.574	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CC(=O)NCc2cccs2)c1=O	ZINC001608195495	1170613793	/nfs/dbraw/zinc/61/37/93/1170613793.db2.gz	AXIOFNYKJVOOES-UHFFFAOYSA-N	-1	0	317.326	0.796	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c1	ZINC001608195232	1170613808	/nfs/dbraw/zinc/61/38/08/1170613808.db2.gz	JGPPIGDBAFIVIJ-VIFPVBQESA-N	-1	0	300.278	0.263	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@@H](C(=O)[O-])c2cccnc2)cc1	ZINC001608201962	1170614704	/nfs/dbraw/zinc/61/47/04/1170614704.db2.gz	JUNUKSVLQSUOLM-ZIAGYGMSSA-N	-1	0	311.297	0.929	20	30		DCEDRM
N#Cc1cccc(OCC(=O)NCc2nc(C(=O)[O-])co2)c1	ZINC001608218154	1170617511	/nfs/dbraw/zinc/61/75/11/1170617511.db2.gz	IFSHNCCFUXICPZ-UHFFFAOYSA-N	-1	0	301.258	0.940	20	30		DCEDRM
N#Cc1ncn(CC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)n1	ZINC001608225054	1170619689	/nfs/dbraw/zinc/61/96/89/1170619689.db2.gz	DCLOMENPWXITQL-LLVKDONJSA-N	-1	0	305.338	0.547	20	30		DCEDRM
C[C@@H](C(=O)OCc1cccc(C#N)c1)n1cnc(-c2nnn[n-]2)n1	ZINC001609072602	1170800592	/nfs/dbraw/zinc/80/05/92/1170800592.db2.gz	XMUNPCIPXUQRHO-VIFPVBQESA-N	-1	0	324.304	0.634	20	30		DCEDRM
C#CC[C@H](NC(=O)CN1CCc2ccccc2C1=O)C(=O)[O-]	ZINC001609079000	1170802449	/nfs/dbraw/zinc/80/24/49/1170802449.db2.gz	RZEASYQNRHWDNC-ZDUSSCGKSA-N	-1	0	300.314	0.278	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC001609137372	1170824487	/nfs/dbraw/zinc/82/44/87/1170824487.db2.gz	PVOJOBYHDSXGAR-UHFFFAOYSA-N	-1	0	320.301	0.432	20	30		DCEDRM
C#CCN1CCN(CN2Cc3ccc(C(=O)[O-])cc3C2=O)CC1	ZINC001609158742	1170831079	/nfs/dbraw/zinc/83/10/79/1170831079.db2.gz	FWSPTIAGJUUVHZ-UHFFFAOYSA-N	-1	0	313.357	0.549	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC001609266885	1170903717	/nfs/dbraw/zinc/90/37/17/1170903717.db2.gz	FJVKEHUEBRGRBY-ZDUSSCGKSA-N	-1	0	318.329	0.544	20	30		DCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001609329205	1170939257	/nfs/dbraw/zinc/93/92/57/1170939257.db2.gz	JRFJZTCLLTXYJD-TUAOUCFPSA-N	-1	0	312.366	0.141	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C(=O)OC)cc1)C(=O)[O-]	ZINC001609443212	1170979079	/nfs/dbraw/zinc/97/90/79/1170979079.db2.gz	VDPJJCLUYLMBQK-LBPRGKRZSA-N	-1	0	307.302	0.859	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cc(F)ccc1F)C(=O)[O-]	ZINC001609452418	1170983880	/nfs/dbraw/zinc/98/38/80/1170983880.db2.gz	JYBIVRJTKSZHHA-JTQLQIEISA-N	-1	0	321.301	0.899	20	30		DCEDRM
N#CC1(CS(=O)(=O)Oc2ccc(F)nc2-c2nnn[n-]2)CC1	ZINC001609493091	1170997933	/nfs/dbraw/zinc/99/79/33/1170997933.db2.gz	AKBPMEBMBFMKEW-UHFFFAOYSA-N	-1	0	324.297	0.413	20	30		DCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001609631156	1171055558	/nfs/dbraw/zinc/05/55/58/1171055558.db2.gz	QVSWIKJFVBMHJC-SSDOTTSWSA-N	-1	0	313.291	0.731	20	30		DCEDRM
C[C@H](C(=O)N(C)c1ncc(C(=O)[O-])s1)n1cnc(C#N)n1	ZINC001609632501	1171055646	/nfs/dbraw/zinc/05/56/46/1171055646.db2.gz	SRPCVVJBQSIRQL-ZCFIWIBFSA-N	-1	0	306.307	0.528	20	30		DCEDRM
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC001609687258	1171067885	/nfs/dbraw/zinc/06/78/85/1171067885.db2.gz	CJTPYHHLWAWUHJ-BBRMVZONSA-N	-1	0	320.345	0.913	20	30		DCEDRM
C[C@H](OC(=O)c1ccc(C(=O)[O-])n1C)C(=O)N(C)CCC#N	ZINC001609797068	1171088727	/nfs/dbraw/zinc/08/87/27/1171088727.db2.gz	CENXNTVZJUFSKG-VIFPVBQESA-N	-1	0	307.306	0.641	20	30		DCEDRM
CCC(CC)(C(=O)[O-])C(=O)COC(=O)[C@H](C)n1cnc(C#N)n1	ZINC001609914812	1171120349	/nfs/dbraw/zinc/12/03/49/1171120349.db2.gz	WRKVKWYHNHPWAE-VIFPVBQESA-N	-1	0	322.321	0.714	20	30		DCEDRM
CC[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001609920579	1171121791	/nfs/dbraw/zinc/12/17/91/1171121791.db2.gz	FEJCBHMXOSOVEG-XRNDOFNESA-N	-1	0	309.322	0.130	20	30		DCEDRM
CCN(CCC#N)C(=O)Cn1nc(C(=O)[O-])cc1C(=O)OC	ZINC001610000121	1171134550	/nfs/dbraw/zinc/13/45/50/1171134550.db2.gz	JMFCGNUGORGCEB-UHFFFAOYSA-N	-1	0	308.294	0.130	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC001610000102	1171135538	/nfs/dbraw/zinc/13/55/38/1171135538.db2.gz	IWDSXUWDJYKBQK-LBPRGKRZSA-N	-1	0	319.383	0.080	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2ccc(C#N)nc2)[C@@H](C(=O)[O-])C1	ZINC001610172174	1171186311	/nfs/dbraw/zinc/18/63/11/1171186311.db2.gz	SCTVRJIZVDMUGL-JOYOIKCWSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)s1	ZINC001610243366	1171205399	/nfs/dbraw/zinc/20/53/99/1171205399.db2.gz	JOCSGAACSYFCQA-NSHDSACASA-N	-1	0	318.376	0.778	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001610407212	1171232219	/nfs/dbraw/zinc/23/22/19/1171232219.db2.gz	SHIXIRJDMYVDLO-BXKDBHETSA-N	-1	0	315.329	0.984	20	30		DCEDRM
N#Cc1ccc(-c2nnc(CN3C[C@@H](O)C[C@H]3C(=O)[O-])o2)cc1	ZINC001610626189	1171271373	/nfs/dbraw/zinc/27/13/73/1171271373.db2.gz	NBDZSBVPVDSNGP-RYUDHWBXSA-N	-1	0	314.301	0.628	20	30		DCEDRM
N#CCOc1cccc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1	ZINC001610623220	1171271559	/nfs/dbraw/zinc/27/15/59/1171271559.db2.gz	KSVOYIFTWMYKMH-JQWIXIFHSA-N	-1	0	319.317	0.888	20	30		DCEDRM
N#Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](C(=O)[O-])CCN3C2=O)nc1	ZINC001610628194	1171272273	/nfs/dbraw/zinc/27/22/73/1171272273.db2.gz	QZVFPZZGNRLISF-JQWIXIFHSA-N	-1	0	314.301	0.581	20	30		DCEDRM
N#Cc1ccc(N2CCN(Cn3cnc(C(=O)[O-])n3)CC2)nc1	ZINC001610629358	1171272397	/nfs/dbraw/zinc/27/23/97/1171272397.db2.gz	ZKYSHHOUWAOJGI-UHFFFAOYSA-N	-1	0	313.321	0.023	20	30		DCEDRM
N#Cc1cccc(N2CCN(C(=O)CCCC(=O)[O-])CC2)n1	ZINC001610631376	1171272485	/nfs/dbraw/zinc/27/24/85/1171272485.db2.gz	XLSJOUUCVITSLY-UHFFFAOYSA-N	-1	0	302.334	0.857	20	30		DCEDRM
N#Cc1ccccc1OCCN1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC001610633026	1171274168	/nfs/dbraw/zinc/27/41/68/1171274168.db2.gz	SGGWDWRSMKBVDO-GFCCVEGCSA-N	-1	0	303.318	0.212	20	30		DCEDRM
CC(C)CSCCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001630737043	1171579352	/nfs/dbraw/zinc/57/93/52/1171579352.db2.gz	UHERSNMAXVNPRS-UHFFFAOYSA-N	-1	0	324.406	0.716	20	30		DCEDRM
CNc1ccc(C(=O)[N-]S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	ZINC000048868960	1171675028	/nfs/dbraw/zinc/67/50/28/1171675028.db2.gz	OOLULXSCGQKJBW-UHFFFAOYSA-N	-1	0	302.312	0.748	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001635398291	1171702281	/nfs/dbraw/zinc/70/22/81/1171702281.db2.gz	VMFUQIQMJYQMET-LLVKDONJSA-N	-1	0	317.349	0.239	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC001635640411	1171709928	/nfs/dbraw/zinc/70/99/28/1171709928.db2.gz	JPZZEISYWRRLBL-JTQLQIEISA-N	-1	0	309.347	0.459	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC001637990234	1171784112	/nfs/dbraw/zinc/78/41/12/1171784112.db2.gz	PUCJPHXXDXGCFB-LLVKDONJSA-N	-1	0	303.293	0.831	20	30		DCEDRM
C#CCO[N-]C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC001645286074	1172034625	/nfs/dbraw/zinc/03/46/25/1172034625.db2.gz	UQQWXZMAGZOTFQ-UHFFFAOYSA-N	-1	0	306.278	0.075	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCC(=O)NC2)n1	ZINC001647074135	1172658542	/nfs/dbraw/zinc/65/85/42/1172658542.db2.gz	HVUYSMUUCJVSDP-NXEZZACHSA-N	-1	0	321.358	0.697	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CCC(O)(c3nnn[n-]3)CC2)cc1	ZINC001649786389	1173223939	/nfs/dbraw/zinc/22/39/39/1173223939.db2.gz	HDVNJZYZNKHSHE-UHFFFAOYSA-N	-1	0	312.333	0.124	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C(=O)OCC	ZINC001651052927	1173739451	/nfs/dbraw/zinc/73/94/51/1173739451.db2.gz	XTZSBAHQZMSORQ-NSHDSACASA-N	-1	0	318.333	0.650	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCO[C@@H]2CCCCO2)o1	ZINC001655485296	1173820861	/nfs/dbraw/zinc/82/08/61/1173820861.db2.gz	ZZTXGJASASLMTM-LLVKDONJSA-N	-1	0	300.336	0.973	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1cc(Br)ccc1F	ZINC001655461779	1173820890	/nfs/dbraw/zinc/82/08/90/1173820890.db2.gz	KLSRZGPFHPEGSX-QMMMGPOBSA-N	-1	0	322.155	0.861	20	30		DCEDRM
C=CCCOCC(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001661752230	1174154358	/nfs/dbraw/zinc/15/43/58/1174154358.db2.gz	GOGDQMTUDJGDGT-GFCCVEGCSA-N	-1	0	323.397	0.431	20	30		DCEDRM
C=CCCCC(=O)N(C)C[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001680844903	1175862693	/nfs/dbraw/zinc/86/26/93/1175862693.db2.gz	CODLHUJHCBZLNO-LLVKDONJSA-N	-1	0	324.381	0.329	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)[C@H]1CCCO1	ZINC001681592712	1175906206	/nfs/dbraw/zinc/90/62/06/1175906206.db2.gz	IHAVRTYTHMLTSL-SDDRHHMPSA-N	-1	0	319.365	0.580	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)NCc1ccc(SC)c(C#N)c1	ZINC001685180374	1176016595	/nfs/dbraw/zinc/01/65/95/1176016595.db2.gz	JTVPBTJMOBTCJO-UHFFFAOYSA-N	-1	0	308.363	0.757	20	30		DCEDRM
CC(C)C#CC(=O)NCC1(NC(=O)c2cn[nH]n2)CCCC1	ZINC001688794236	1176621326	/nfs/dbraw/zinc/62/13/26/1176621326.db2.gz	CJFFFJOLQZEBHO-UHFFFAOYSA-N	-1	0	303.366	0.623	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-]	ZINC001704598675	1180085461	/nfs/dbraw/zinc/08/54/61/1180085461.db2.gz	CWOJGBXRBWBZNS-QWRGUYRKSA-N	-1	0	304.350	0.815	20	30		DCEDRM
CC#CCN1CC(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	ZINC001714953973	1181615745	/nfs/dbraw/zinc/61/57/45/1181615745.db2.gz	QXTNMNHOILRRRO-UHFFFAOYSA-N	-1	0	305.300	0.267	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001717577475	1182906790	/nfs/dbraw/zinc/90/67/90/1182906790.db2.gz	GYMUUTDDFJMOAU-SNVBAGLBSA-N	-1	0	309.370	0.040	20	30		DCEDRM
COCC#CCN1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H]1C	ZINC001725641261	1184924654	/nfs/dbraw/zinc/92/46/54/1184924654.db2.gz	ZTOPVGDXVNIPCL-QWHCGFSZSA-N	-1	0	320.393	0.656	20	30		DCEDRM
C=CCCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001734722510	1186731752	/nfs/dbraw/zinc/73/17/52/1186731752.db2.gz	ZMCGLNVNSPNZNK-DTWKUNHWSA-N	-1	0	323.353	0.262	20	30		DCEDRM
C#CCCCCC(=O)NC[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1	ZINC001734996029	1186776255	/nfs/dbraw/zinc/77/62/55/1186776255.db2.gz	FQVVZEHELZBXSS-HAQNSBGRSA-N	-1	0	303.366	0.623	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)C#CC(C)(C)C)C2)c1[O-]	ZINC001737449805	1187337925	/nfs/dbraw/zinc/33/79/25/1187337925.db2.gz	QISMCNRYQFIRBP-XYPYZODXSA-N	-1	0	318.377	0.850	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001739780968	1187842580	/nfs/dbraw/zinc/84/25/80/1187842580.db2.gz	JETQEBDWCCSNTO-GFCCVEGCSA-N	-1	0	318.377	0.900	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001755139371	1189033445	/nfs/dbraw/zinc/03/34/45/1189033445.db2.gz	WCYUSCCVDXAGQI-GFCCVEGCSA-N	-1	0	319.409	0.886	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1	ZINC001755165015	1189041859	/nfs/dbraw/zinc/04/18/59/1189041859.db2.gz	CWMBXHMUYUMTCQ-NWDGAFQWSA-N	-1	0	323.397	0.572	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)C#CC2CC2)c1[O-]	ZINC001756446125	1189354026	/nfs/dbraw/zinc/35/40/26/1189354026.db2.gz	ZSDIORNFPWIDIS-VIFPVBQESA-N	-1	0	304.350	0.414	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](CNC(=O)C#CC(C)C)C(C)C)c1[O-]	ZINC001759511462	1190198840	/nfs/dbraw/zinc/19/88/40/1190198840.db2.gz	SAACORWAWQXJPC-GFCCVEGCSA-N	-1	0	320.393	0.954	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CC3(C2)CC(F)(F)C3)c(=O)[n-]c1=O	ZINC001771846833	1190525094	/nfs/dbraw/zinc/52/50/94/1190525094.db2.gz	VZJFPZLDCMSNFS-UHFFFAOYSA-N	-1	0	324.287	0.468	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c(C#N)c1=O	ZINC001772114936	1190610683	/nfs/dbraw/zinc/61/06/83/1190610683.db2.gz	RUMIHOSQTUNREX-GDPRMGEGSA-N	-1	0	304.350	0.561	20	30		DCEDRM
COc1ccccc1CCN(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001772114042	1190610693	/nfs/dbraw/zinc/61/06/93/1190610693.db2.gz	JWIRPPFZQQFOSC-UHFFFAOYSA-N	-1	0	314.345	0.633	20	30		DCEDRM
N#Cc1nc(NC(=O)c2n[nH]cc2Br)[n-]c1C#N	ZINC001772463605	1190691242	/nfs/dbraw/zinc/69/12/42/1190691242.db2.gz	XCNHKQCZCKAPTM-UHFFFAOYSA-N	-1	0	306.083	0.891	20	30		DCEDRM
CC1(C)C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(CC#N)C1	ZINC001089431032	751384752	/nfs/dbraw/zinc/38/47/52/751384752.db2.gz	XIFKAJJBDRMEQN-VIFPVBQESA-N	-1	0	320.353	0.027	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H](C)CNc2nccnc2C#N)c1[O-]	ZINC001104532142	747691902	/nfs/dbraw/zinc/69/19/02/747691902.db2.gz	UYMSDONAMMOKNA-MRVPVSSYSA-N	-1	0	315.337	0.658	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](CCNC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001059478537	749226588	/nfs/dbraw/zinc/22/65/88/749226588.db2.gz	SOACGTWXFUCGNU-KOLCDFICSA-N	-1	0	319.365	0.552	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)Nc2ccnc(C#N)n2)c1[O-]	ZINC001112990495	762073885	/nfs/dbraw/zinc/07/38/85/762073885.db2.gz	GOQQCHUZMPNDPV-YUMQZZPRSA-N	-1	0	315.337	0.126	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C[S@@](C)=O)c1	ZINC001122625257	751116037	/nfs/dbraw/zinc/11/60/37/751116037.db2.gz	NSDVDKAAXDEJJB-WHEQGISXSA-N	-1	0	322.386	0.650	20	30		DCEDRM
CCN(CCNc1cnc(C#N)cn1)C(=O)c1n[nH]c(C)c1[O-]	ZINC001106725922	751248875	/nfs/dbraw/zinc/24/88/75/751248875.db2.gz	VEJLEUSPXJWMDZ-UHFFFAOYSA-N	-1	0	315.337	0.660	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2cnc(C#N)cn2)c1[O-]	ZINC001097805878	755750087	/nfs/dbraw/zinc/75/00/87/755750087.db2.gz	XCLAIEPUBVOLSK-SSDOTTSWSA-N	-1	0	301.310	0.316	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2nc(C)cc(C#N)n2)c1[O-]	ZINC001097804903	755750355	/nfs/dbraw/zinc/75/03/55/755750355.db2.gz	RUKNZUBWQFMTGZ-MRVPVSSYSA-N	-1	0	315.337	0.624	20	30		DCEDRM
C#CCCN1CC2(C1)CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])O2	ZINC001053589210	756106613	/nfs/dbraw/zinc/10/66/13/756106613.db2.gz	CHXCYEBSFSOBKS-LBPRGKRZSA-N	-1	0	318.377	0.410	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2C[C@H](NCC#N)[C@@H](C)C2)cc1=O	ZINC001054873122	756661859	/nfs/dbraw/zinc/66/18/59/756661859.db2.gz	UVGXXYNUEPDDDP-JSGCOSHPSA-N	-1	0	319.409	0.335	20	30		DCEDRM
C=CCN1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@H](OC)C1	ZINC001082324754	757046415	/nfs/dbraw/zinc/04/64/15/757046415.db2.gz	ZHWAIEFKKUTIFE-ZYHUDNBSSA-N	-1	0	318.333	0.543	20	30		DCEDRM
C=CC[C@@H](NC(=O)NC[C@]1(OC(C)C)CCOC1)C(=O)[O-]	ZINC001119559680	757999198	/nfs/dbraw/zinc/99/91/98/757999198.db2.gz	MYDMYLPHUUBLFX-BXUZGUMPSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=C(C)CCN1CCOC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001050874257	758197743	/nfs/dbraw/zinc/19/77/43/758197743.db2.gz	BHFQIXJSMVKUTC-GFCCVEGCSA-N	-1	0	308.382	0.821	20	30		DCEDRM
C=CCNc1ncc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)s1	ZINC001170382187	762630936	/nfs/dbraw/zinc/63/09/36/762630936.db2.gz	FEGREMFRNYQVEA-MRVPVSSYSA-N	-1	0	321.366	0.468	20	30		DCEDRM
C=CCN1CCN([C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C2)CC1	ZINC001052013883	759113491	/nfs/dbraw/zinc/11/34/91/759113491.db2.gz	ARNPGWBYQKZCAD-ZDUSSCGKSA-N	-1	0	319.409	0.442	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(OCC(N)=O)cc1	ZINC001122707068	767860506	/nfs/dbraw/zinc/86/05/06/767860506.db2.gz	GUIQMWFZJWGBDC-LBPRGKRZSA-N	-1	0	301.302	0.175	20	30		DCEDRM
C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001109169144	761275477	/nfs/dbraw/zinc/27/54/77/761275477.db2.gz	BZEFVBLKTVZCDR-AGIUHOORSA-N	-1	0	317.393	0.925	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001109208317	761302955	/nfs/dbraw/zinc/30/29/55/761302955.db2.gz	JFCBGABUKPGEQY-WOPDTQHZSA-N	-1	0	303.366	0.535	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001070620833	761356543	/nfs/dbraw/zinc/35/65/43/761356543.db2.gz	XLXLIRYGGKWLFQ-GFCCVEGCSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C=CCCC(=O)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1	ZINC001112687852	761793866	/nfs/dbraw/zinc/79/38/66/761793866.db2.gz	VXGQKIFXLVGEFI-UHFFFAOYSA-N	-1	0	315.377	0.633	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@@H](C)Nc2cncc(C#N)n2)c1[O-]	ZINC001098984626	762772400	/nfs/dbraw/zinc/77/24/00/762772400.db2.gz	NVCIPQCDXDSJAH-MRVPVSSYSA-N	-1	0	315.337	0.706	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001099849825	763077417	/nfs/dbraw/zinc/07/74/17/763077417.db2.gz	JQGCHDHVNXGBQD-MNOVXSKESA-N	-1	0	323.397	0.164	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001131945755	764142999	/nfs/dbraw/zinc/14/29/99/764142999.db2.gz	ACGUMUFOLCPQEI-QWRGUYRKSA-N	-1	0	309.370	0.182	20	30		DCEDRM
O=C([O-])C(F)(F)C(F)(F)C(=O)N(CCO)CC(F)(F)F	ZINC001180174488	771067816	/nfs/dbraw/zinc/06/78/16/771067816.db2.gz	QEQAZAJBKUEWGR-UHFFFAOYSA-N	-1	0	315.141	0.725	20	30		DCEDRM
N#Cc1cccc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)c1	ZINC001117012759	765952869	/nfs/dbraw/zinc/95/28/69/765952869.db2.gz	RHJNTZLVLMTAMR-ZDUSSCGKSA-N	-1	0	303.318	0.259	20	30		DCEDRM
CC(C)(C)/C=C\C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001120754162	767183842	/nfs/dbraw/zinc/18/38/42/767183842.db2.gz	OVFJCMFLOPSCHR-PLNGDYQASA-N	-1	0	302.334	0.806	20	30		DCEDRM
C=CCN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@@H](C)COC	ZINC001147131936	767664787	/nfs/dbraw/zinc/66/47/87/767664787.db2.gz	KSBCPIVYMLKLSG-NSHDSACASA-N	-1	0	320.349	0.260	20	30		DCEDRM
CS(=O)(=O)c1cc(C([O-])=C(C#N)C(=O)N2CCCC2)co1	ZINC001122422185	767798516	/nfs/dbraw/zinc/79/85/16/767798516.db2.gz	CBZXJTRBUWLFKH-JTQLQIEISA-N	-1	0	310.331	0.628	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(C)=O)CCN1Cc1cc(C#N)ccc1[O-]	ZINC001232677821	769330379	/nfs/dbraw/zinc/33/03/79/769330379.db2.gz	KOMQETGTISMTSV-AWEZNQCLSA-N	-1	0	317.345	0.470	20	30		DCEDRM
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)[N-]Oc1cccc(C#N)c1	ZINC001151437807	769342241	/nfs/dbraw/zinc/34/22/41/769342241.db2.gz	RODLLLSUZSIHNQ-UHFFFAOYSA-N	-1	0	300.274	0.721	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCC(N)=O	ZINC001152779455	769639631	/nfs/dbraw/zinc/63/96/31/769639631.db2.gz	VCNXYMASYWLPCI-QMMMGPOBSA-N	-1	0	321.761	0.555	20	30		DCEDRM
C#C[C@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)[C@@H](CC)CCCC	ZINC001234377030	769640609	/nfs/dbraw/zinc/64/06/09/769640609.db2.gz	WYJVWBKWKOTESU-UWVGGRQHSA-N	-1	0	306.314	0.306	20	30		DCEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1	ZINC001234375073	769640861	/nfs/dbraw/zinc/64/08/61/769640861.db2.gz	IAYULHKUSHDELZ-VHSXEESVSA-N	-1	0	304.298	0.388	20	30		DCEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1c([O-])c(=O)c(=O)c(=O)c1=O	ZINC001234378020	769642261	/nfs/dbraw/zinc/64/22/61/769642261.db2.gz	HGVDFXLIFKYPNQ-KXUCPTDWSA-N	-1	0	306.314	0.468	20	30		DCEDRM
C=C(Cl)CN(CC)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001154178019	770102044	/nfs/dbraw/zinc/10/20/44/770102044.db2.gz	CGRQOIINCBFYJK-MRVPVSSYSA-N	-1	0	315.761	0.476	20	30		DCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccnc(C#N)c2)nc1	ZINC001241188539	770263221	/nfs/dbraw/zinc/26/32/21/770263221.db2.gz	OEWVBIPBBBCDCR-UHFFFAOYSA-N	-1	0	302.315	0.840	20	30		DCEDRM
CC(=O)c1cc(F)c([O-])c(NC(=O)Cn2cnc(C#N)n2)c1	ZINC001156200367	770746694	/nfs/dbraw/zinc/74/66/94/770746694.db2.gz	DBQUHNCGLMTUDS-UHFFFAOYSA-N	-1	0	303.253	0.836	20	30		DCEDRM
CN(CC(=O)Nc1cc(C#N)c(F)cc1[O-])S(C)(=O)=O	ZINC001182877703	771568513	/nfs/dbraw/zinc/56/85/13/771568513.db2.gz	NXWAXUCCTYEFIJ-UHFFFAOYSA-N	-1	0	301.299	0.233	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC001161393352	772216531	/nfs/dbraw/zinc/21/65/31/772216531.db2.gz	PXADMRONWLUVIK-VIFPVBQESA-N	-1	0	314.301	0.219	20	30		DCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]cn2)c(C#N)c1	ZINC001187772061	772216922	/nfs/dbraw/zinc/21/69/22/772216922.db2.gz	PUFRSJRTKGXJGC-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(F)c(F)c1	ZINC001189336395	772456555	/nfs/dbraw/zinc/45/65/55/772456555.db2.gz	GNJKOEXWVNOAAD-LLVKDONJSA-N	-1	0	318.301	0.839	20	30		DCEDRM
Cn1c(C(=O)Nc2cc(C#N)c(F)cc2[O-])cc(=O)n(C)c1=O	ZINC001189431032	772475157	/nfs/dbraw/zinc/47/51/57/772475157.db2.gz	UBUABRLLRYRADQ-UHFFFAOYSA-N	-1	0	318.264	0.053	20	30		DCEDRM
COc1ccc(Cn2c(=O)[n-]cc(C#N)c2=O)cc1[N+](=O)[O-]	ZINC001189566864	772499519	/nfs/dbraw/zinc/49/95/19/772499519.db2.gz	IYXOUJUANPOEDJ-UHFFFAOYSA-N	-1	0	302.246	0.373	20	30		DCEDRM
N#Cc1cnn(C2CCOCC2)c1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190690899	772665442	/nfs/dbraw/zinc/66/54/42/772665442.db2.gz	QFKUHJNSEYKUAF-UHFFFAOYSA-N	-1	0	322.350	0.630	20	30		DCEDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2oncc2C#N)cc1	ZINC001191579586	772785347	/nfs/dbraw/zinc/78/53/47/772785347.db2.gz	RWKWCHQAXMJNRH-UHFFFAOYSA-N	-1	0	306.303	0.707	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1nc[nH]c(=O)c1Br	ZINC001193106680	773005850	/nfs/dbraw/zinc/00/58/50/773005850.db2.gz	IXNDKXMBLKYFCB-SCSAIBSYSA-N	-1	0	307.129	0.598	20	30		DCEDRM
COc1cc([N-]S(=O)(=O)[C@H](C)C#N)c(C(N)=O)c(OC)c1	ZINC001193148747	773018586	/nfs/dbraw/zinc/01/85/86/773018586.db2.gz	DGQDVWAGEUOLHW-SSDOTTSWSA-N	-1	0	313.335	0.456	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC001193288609	773040175	/nfs/dbraw/zinc/04/01/75/773040175.db2.gz	NHOARICAWAXXTH-SECBINFHSA-N	-1	0	314.323	0.290	20	30		DCEDRM
COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1ccc([O-])c(C#N)c1)C2	ZINC001193505123	773076226	/nfs/dbraw/zinc/07/62/26/773076226.db2.gz	DGIDYHXCORSAML-LRDDRELGSA-N	-1	0	316.313	0.525	20	30		DCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)c1nccn1C	ZINC001193561961	773085171	/nfs/dbraw/zinc/08/51/71/773085171.db2.gz	VFRQJXLYVXJZCK-UHFFFAOYSA-N	-1	0	319.350	0.547	20	30		DCEDRM
COC(=O)C[C@H]1CN(C(=O)c2cccc(C#N)c2[O-])CCO1	ZINC001193643903	773094068	/nfs/dbraw/zinc/09/40/68/773094068.db2.gz	GYMZVXDZTBOSIW-NSHDSACASA-N	-1	0	304.302	0.668	20	30		DCEDRM
COc1ccc(C#N)c(S(=O)(=O)[N-]c2oncc2C(N)=O)c1	ZINC001193653560	773098576	/nfs/dbraw/zinc/09/85/76/773098576.db2.gz	JALFSDYDOFTZKS-UHFFFAOYSA-N	-1	0	322.302	0.455	20	30		DCEDRM
C=CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc(=O)n(C)[n-]2)C1	ZINC001194201537	773162991	/nfs/dbraw/zinc/16/29/91/773162991.db2.gz	MDUGJEJWTNXCSK-SNVBAGLBSA-N	-1	0	308.338	0.643	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001194397530	773186404	/nfs/dbraw/zinc/18/64/04/773186404.db2.gz	WQEIZMHUZQQTQV-MNOVXSKESA-N	-1	0	309.370	0.134	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]C(=O)c1nccnc1OC	ZINC001195095394	773324792	/nfs/dbraw/zinc/32/47/92/773324792.db2.gz	KMJXRQJQWFIUCF-UHFFFAOYSA-N	-1	0	302.250	0.420	20	30		DCEDRM
COC(=O)CCCCS(=O)(=O)[N-]c1c(C#N)cnn1C	ZINC001196915411	773662605	/nfs/dbraw/zinc/66/26/05/773662605.db2.gz	XTBMPUVIQOJBGO-UHFFFAOYSA-N	-1	0	300.340	0.377	20	30		DCEDRM
COc1ncnc([N-]S(=O)(=O)Cc2cccnc2)c1C#N	ZINC001197430130	773746677	/nfs/dbraw/zinc/74/66/77/773746677.db2.gz	IQCHMUJCWROSFH-UHFFFAOYSA-N	-1	0	305.319	0.694	20	30		DCEDRM
CCOC(=O)C(C#N)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198800786	773985353	/nfs/dbraw/zinc/98/53/53/773985353.db2.gz	CURHVLBUOXOXSK-VIFPVBQESA-N	-1	0	312.303	0.118	20	30		DCEDRM
C=CCNC(=S)Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001200295082	774318669	/nfs/dbraw/zinc/31/86/69/774318669.db2.gz	FMWCSPJIIHUBLQ-UHFFFAOYSA-N	-1	0	314.392	0.516	20	30		DCEDRM
CC(C)C[C@H](NC(=O)C[NH3+])C(=O)Nc1ccc(C#N)cc1O	ZINC001218993405	774343250	/nfs/dbraw/zinc/34/32/50/774343250.db2.gz	YMVOTMJKIRDMOE-LBPRGKRZSA-N	-1	0	304.350	0.692	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC000316658578	774973682	/nfs/dbraw/zinc/97/36/82/774973682.db2.gz	QNCABZBZIKBQKH-LLVKDONJSA-N	-1	0	312.347	0.483	20	30		DCEDRM
N#Cc1ccc2nc(COC(=O)[C@H](O)CCC(=O)[O-])cn2c1	ZINC001224036622	775534941	/nfs/dbraw/zinc/53/49/41/775534941.db2.gz	GZSIECJHIGOGPI-LLVKDONJSA-N	-1	0	303.274	0.475	20	30		DCEDRM
CC(=O)O[C@H]1CO[C@@H]2[C@H](Oc3[n-]c(=O)c(F)cc3C#N)CO[C@@H]21	ZINC001226016274	775755796	/nfs/dbraw/zinc/75/57/96/775755796.db2.gz	RKHGIYFFPIBBBJ-IRCOFANPSA-N	-1	0	324.264	0.275	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncc([N+](=O)[O-])cn1	ZINC001226733487	775871083	/nfs/dbraw/zinc/87/10/83/775871083.db2.gz	PQJHXIGQHUXELF-VIFPVBQESA-N	-1	0	319.295	0.223	20	30		DCEDRM
C#CCN(CC1CC1)S(=O)(=O)c1ccsc1-c1nnn[n-]1	ZINC001588350662	1166540248	/nfs/dbraw/zinc/54/02/48/1166540248.db2.gz	KEJKIVXXKWFKJK-UHFFFAOYSA-N	-1	0	323.403	0.962	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N(CC#N)CCC(=O)[O-])c(C#N)c1	ZINC001600475140	1168189337	/nfs/dbraw/zinc/18/93/37/1168189337.db2.gz	CFPPEIMZCLHDHF-UHFFFAOYSA-N	-1	0	307.331	0.856	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001600821966	1168476000	/nfs/dbraw/zinc/47/60/00/1168476000.db2.gz	MESLEHRWVOOAMT-NSHDSACASA-N	-1	0	306.274	0.692	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@H]1COCCN1CC(F)(F)F	ZINC001601071285	1168581304	/nfs/dbraw/zinc/58/13/04/1168581304.db2.gz	YPJRHBDREVIHAO-SECBINFHSA-N	-1	0	323.271	0.076	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC1CCN(C(=O)CCOC)CC1	ZINC001602782870	1169183053	/nfs/dbraw/zinc/18/30/53/1169183053.db2.gz	RZCIUGHAFJLMFE-UHFFFAOYSA-N	-1	0	312.366	0.551	20	30		DCEDRM
COCC#CCN1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001481036583	939534083	/nfs/dbraw/zinc/53/40/83/939534083.db2.gz	RKSJCOMJGLQIQV-LBPRGKRZSA-N	-1	0	306.366	0.268	20	30		DCEDRM
C=CCN1CC[C@@]2(CCN(C(=O)c3cnc[nH]c3=O)C2)C1=O	ZINC001271630396	941413367	/nfs/dbraw/zinc/41/33/67/941413367.db2.gz	MTHQPOITILUJLJ-HNNXBMFYSA-N	-1	0	302.334	0.433	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1nnc2n1CCOC2	ZINC001412914782	942136898	/nfs/dbraw/zinc/13/68/98/942136898.db2.gz	BJNAOMSHXFSAAO-UHFFFAOYSA-N	-1	0	314.305	0.019	20	30		DCEDRM
CCOC[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001413074105	942474039	/nfs/dbraw/zinc/47/40/39/942474039.db2.gz	XDEOYSVKFWFCAD-LBPRGKRZSA-N	-1	0	320.349	0.238	20	30		DCEDRM
N#Cc1nccnc1NC[C@H](O)CNC(=O)c1ccccc1O	ZINC001105756514	942538021	/nfs/dbraw/zinc/53/80/21/942538021.db2.gz	VTLZKWJZWBTNFG-JTQLQIEISA-N	-1	0	313.317	0.257	20	30		DCEDRM
CSCC[C@H](NC(=O)c1cnccc1C#N)c1nnn[n-]1	ZINC001413301831	942613690	/nfs/dbraw/zinc/61/36/90/942613690.db2.gz	TVFHMCCWLWNWOO-JTQLQIEISA-N	-1	0	303.351	0.691	20	30		DCEDRM
N#Cc1cnc(C(=O)NCc2nc([O-])cc(=O)[nH]2)c(Cl)c1	ZINC001413343555	942910516	/nfs/dbraw/zinc/91/05/16/942910516.db2.gz	OJRFEVYHRIVSMG-UHFFFAOYSA-N	-1	0	305.681	0.738	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC001413386279	942942021	/nfs/dbraw/zinc/94/20/21/942942021.db2.gz	KZYNNZCNMZNNMM-LLVKDONJSA-N	-1	0	314.305	0.294	20	30		DCEDRM
N#C[C@@H]1CCCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1	ZINC001413544202	943059583	/nfs/dbraw/zinc/05/95/83/943059583.db2.gz	SJFIPCYDGMSRBH-JTQLQIEISA-N	-1	0	313.317	0.642	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001484238723	943240251	/nfs/dbraw/zinc/24/02/51/943240251.db2.gz	LESVHQQMIXGDAC-LSDHHAIUSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001486951344	945423047	/nfs/dbraw/zinc/42/30/47/945423047.db2.gz	JIEWQWJFQSFZDZ-MRVPVSSYSA-N	-1	0	323.353	0.072	20	30		DCEDRM
CCOC(=O)c1n[nH]cc1C=CC([O-])=C1C(=O)C=C(C)OC1=O	ZINC001319240360	945528476	/nfs/dbraw/zinc/52/84/76/945528476.db2.gz	XYLXRNRMONFMFS-RXNFCKPNSA-N	-1	0	318.285	0.815	20	30		DCEDRM
C[C@]1(CNC(=O)C#CC2CC2)CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001278658116	945884245	/nfs/dbraw/zinc/88/42/45/945884245.db2.gz	BDDLVOJCOVRLEO-MRXNPFEDSA-N	-1	0	317.393	0.642	20	30		DCEDRM
C[C@@]1(CNC(=O)C#CC2CC2)CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001278658115	945885718	/nfs/dbraw/zinc/88/57/18/945885718.db2.gz	BDDLVOJCOVRLEO-INIZCTEOSA-N	-1	0	317.393	0.642	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1n[nH]c(=O)[n-]1	ZINC001320551864	945924239	/nfs/dbraw/zinc/92/42/39/945924239.db2.gz	APMPUQQTOXKWKM-MXWKQRLJSA-N	-1	0	309.370	0.086	20	30		DCEDRM
C=CCOC[C@@H](O)CNc1ccc(OC)cc1S(=O)(=O)[O-]	ZINC001252477957	945947380	/nfs/dbraw/zinc/94/73/80/945947380.db2.gz	FIODXZSLVCGSFP-JTQLQIEISA-N	-1	0	317.363	0.917	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1	ZINC001321462885	946338841	/nfs/dbraw/zinc/33/88/41/946338841.db2.gz	AJDCQFBOUCCUJA-UHFFFAOYSA-N	-1	0	324.362	0.366	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)c1ccc(C#N)cc1	ZINC001321491408	946349361	/nfs/dbraw/zinc/34/93/61/946349361.db2.gz	BHXRTEQVJSWMPM-YPMHNXCESA-N	-1	0	317.345	0.820	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CNC(=O)c1cc2ccccc2[nH]1	ZINC001602681844	971263110	/nfs/dbraw/zinc/26/31/10/971263110.db2.gz	BAUMAUOMACYEBS-UHFFFAOYSA-N	-1	0	313.313	0.444	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCNC(=O)Cc1ccccc1	ZINC001602683109	971271921	/nfs/dbraw/zinc/27/19/21/971271921.db2.gz	YZOLAFSMTPRKGG-UHFFFAOYSA-N	-1	0	302.330	0.282	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F	ZINC001602683779	971275603	/nfs/dbraw/zinc/27/56/03/971275603.db2.gz	JOLYGRLKVDYGBC-UHFFFAOYSA-N	-1	0	312.228	0.962	20	30		DCEDRM
COC(=O)c1ccnnc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC001258208132	946811183	/nfs/dbraw/zinc/81/11/83/946811183.db2.gz	IWCOBHCRWPEXJO-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
Cn1cnc(S(=O)(=O)[N-]c2c(C#N)cnc3ccnn32)c1	ZINC001258993246	946879323	/nfs/dbraw/zinc/87/93/23/946879323.db2.gz	NMGUYBIQXUDGDK-UHFFFAOYSA-N	-1	0	303.307	0.135	20	30		DCEDRM
Cn1ncc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C(N)=O	ZINC001259117991	946915882	/nfs/dbraw/zinc/91/58/82/946915882.db2.gz	UIRYICDLUKZXDI-UHFFFAOYSA-N	-1	0	305.319	0.191	20	30		DCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1	ZINC001259378366	946952186	/nfs/dbraw/zinc/95/21/86/946952186.db2.gz	XHHMXVPUGOYTDO-UHFFFAOYSA-N	-1	0	319.302	0.939	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)N[C@H]1CCOc2ccccc21	ZINC001602695474	971307722	/nfs/dbraw/zinc/30/77/22/971307722.db2.gz	HBNNQUFVHKJDFA-ZDUSSCGKSA-N	-1	0	302.330	0.646	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)N(C)Cc1ccc(OC)c(F)c1	ZINC001602695436	971307852	/nfs/dbraw/zinc/30/78/52/971307852.db2.gz	FWAXTKRBMKOARP-UHFFFAOYSA-N	-1	0	322.336	0.813	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1cnn(C)c1	ZINC001259826599	946990948	/nfs/dbraw/zinc/99/09/48/946990948.db2.gz	BXQFNNGAEMCBFO-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
COC(=O)[C@H](Cc1ccc(C#N)cc1)[N-]S(=O)(=O)C(F)F	ZINC001259964826	947039478	/nfs/dbraw/zinc/03/94/78/947039478.db2.gz	JSUDBOFEGOWKDS-JTQLQIEISA-N	-1	0	318.301	0.784	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnc(COC)s2)n1C	ZINC001602699224	971316701	/nfs/dbraw/zinc/31/67/01/971316701.db2.gz	OIANRONMQOZRDD-UHFFFAOYSA-N	-1	0	321.362	0.609	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC001260047451	947053983	/nfs/dbraw/zinc/05/39/83/947053983.db2.gz	FYRPLMQJXPKTCW-GFCCVEGCSA-N	-1	0	307.331	0.433	20	30		DCEDRM
CCOC(=O)C([N-]S(=O)(=O)Cc1ccc(C#N)cc1)=C(C)O	ZINC001260046509	947054727	/nfs/dbraw/zinc/05/47/27/947054727.db2.gz	SMSIZHIMSYNCOJ-CYBMUJFWSA-N	-1	0	324.358	0.498	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C[S@](C)=O)n1CC(C)C	ZINC001602700687	971320222	/nfs/dbraw/zinc/32/02/22/971320222.db2.gz	DYAOXNDRBCLTKK-NRFANRHFSA-N	-1	0	312.395	0.337	20	30		DCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2cccc3nonc32)n1	ZINC001260435839	947102520	/nfs/dbraw/zinc/10/25/20/947102520.db2.gz	WRQBCFHPSIUGHT-UHFFFAOYSA-N	-1	0	302.275	0.685	20	30		DCEDRM
Cc1cc(=O)n2nc(NC(=O)c3cc(C#N)cs3)[n-]c2n1	ZINC001324027689	947289925	/nfs/dbraw/zinc/28/99/25/947289925.db2.gz	SZKILOKIJZKNII-UHFFFAOYSA-N	-1	0	300.303	0.912	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C[C@H]1CCOC1	ZINC001602717266	971365608	/nfs/dbraw/zinc/36/56/08/971365608.db2.gz	GLZAVUPZQYWTQX-UTUOFQBUSA-N	-1	0	322.365	0.445	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)NCc1ccc(-c2nn[nH]n2)s1	ZINC001573326540	947375193	/nfs/dbraw/zinc/37/51/93/947375193.db2.gz	QGVBDEKWERLHOV-SECBINFHSA-N	-1	0	322.394	0.912	20	30		DCEDRM
C=C(Cl)CN(C)C[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001411157835	947410995	/nfs/dbraw/zinc/41/09/95/947410995.db2.gz	GCMQGQBYWRDCEZ-SNVBAGLBSA-N	-1	0	316.789	0.541	20	30		DCEDRM
C=CCNC(=O)Cn1cc(CN2CCCC[C@H]2C(=O)[O-])nn1	ZINC001602723276	971395491	/nfs/dbraw/zinc/39/54/91/971395491.db2.gz	YMUJBPFCJNFLFT-LBPRGKRZSA-N	-1	0	307.354	0.019	20	30		DCEDRM
C=CCn1c(Cc2nccn2C)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602729777	971401602	/nfs/dbraw/zinc/40/16/02/971401602.db2.gz	GDJGVTWYUOTOCG-LLVKDONJSA-N	-1	0	316.365	0.699	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001602730942	971410190	/nfs/dbraw/zinc/41/01/90/971410190.db2.gz	LOWLHXGYHHATGR-NEPJUHHUSA-N	-1	0	306.318	0.396	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](COC)C1	ZINC001262969583	947791660	/nfs/dbraw/zinc/79/16/60/947791660.db2.gz	MEDZZPIGTDVXMK-SNVBAGLBSA-N	-1	0	304.354	0.161	20	30		DCEDRM
C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCOCC1	ZINC001262983463	947791956	/nfs/dbraw/zinc/79/19/56/947791956.db2.gz	MOSDMYQOPYSIDJ-UHFFFAOYSA-N	-1	0	312.333	0.940	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)c2c[n-]n3c2nccc3=O)nc1	ZINC001094160425	947795845	/nfs/dbraw/zinc/79/58/45/947795845.db2.gz	MYRFDYXLJOXKTC-UHFFFAOYSA-N	-1	0	323.316	0.131	20	30		DCEDRM
COCCO[N-]C(=O)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC001325701288	947885894	/nfs/dbraw/zinc/88/58/94/947885894.db2.gz	CABGYOJOMAGDGZ-CQSZACIVSA-N	-1	0	317.345	0.746	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C1	ZINC001326222858	948100730	/nfs/dbraw/zinc/10/07/30/948100730.db2.gz	SSGAUUSEUJZEAJ-YNEHKIRRSA-N	-1	0	324.377	0.359	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1	ZINC001327324460	948466211	/nfs/dbraw/zinc/46/62/11/948466211.db2.gz	MVXPLQDEVSZTQE-QMMMGPOBSA-N	-1	0	313.335	0.046	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)c1	ZINC001263626330	948732371	/nfs/dbraw/zinc/73/23/71/948732371.db2.gz	SSGZXWXKKWIGDG-TXEJJXNPSA-N	-1	0	300.314	0.833	20	30		DCEDRM
C=CCCSCCNC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC001328226563	948758325	/nfs/dbraw/zinc/75/83/25/948758325.db2.gz	HCJGYWKWMVEEBF-NSHDSACASA-N	-1	0	302.396	0.496	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@@H]1CCCS(=O)(=O)C1	ZINC001602781727	971525266	/nfs/dbraw/zinc/52/52/66/971525266.db2.gz	GGWOQPJVQFVALF-JOYOIKCWSA-N	-1	0	303.336	0.359	20	30		DCEDRM
CC(C)(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C1(O)CCOCC1	ZINC001602780836	971520884	/nfs/dbraw/zinc/52/08/84/971520884.db2.gz	OKZUEURULIRCBK-CQSZACIVSA-N	-1	0	312.366	0.675	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCN3C(=O)CC[C@H]3C1)cc2=O	ZINC001364366266	949130649	/nfs/dbraw/zinc/13/06/49/949130649.db2.gz	RJWRPSJCLREIPE-LBPRGKRZSA-N	-1	0	312.333	0.113	20	30		DCEDRM
CCN(CC#N)CCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001265147925	949369358	/nfs/dbraw/zinc/36/93/58/949369358.db2.gz	OTXUKQUYXXTPDC-UHFFFAOYSA-N	-1	0	322.331	0.795	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H](C)[S@]1=O	ZINC001589624880	949463625	/nfs/dbraw/zinc/46/36/25/949463625.db2.gz	OFEHUQVZUUNDOZ-MZVRPHHGSA-N	-1	0	300.380	0.749	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@]2(CCOC2)O1	ZINC001589625130	949468217	/nfs/dbraw/zinc/46/82/17/949468217.db2.gz	VTJIOMZOEMDCKO-BYCMXARLSA-N	-1	0	310.350	0.787	20	30		DCEDRM
C[C@H](C(=O)[O-])N(C(=O)CNC(=O)c1ccc(C#N)cc1)C1CC1	ZINC001602814564	971608537	/nfs/dbraw/zinc/60/85/37/971608537.db2.gz	OIFMTLKJHFAIBO-SNVBAGLBSA-N	-1	0	315.329	0.752	20	30		DCEDRM
CS(=O)(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C1	ZINC001364720360	949811168	/nfs/dbraw/zinc/81/11/68/949811168.db2.gz	YYKVSIWVULYNAE-JTQLQIEISA-N	-1	0	323.374	0.275	20	30		DCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@@](C)(O)c1ccccc1	ZINC001365230772	950777141	/nfs/dbraw/zinc/77/71/41/950777141.db2.gz	XKROPHASMHPBTG-MGPLVRAMSA-N	-1	0	314.345	0.653	20	30		DCEDRM
CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1nc(C#N)cs1	ZINC001365464554	951155755	/nfs/dbraw/zinc/15/57/55/951155755.db2.gz	YOEFYCRHPUYWPQ-UHFFFAOYSA-N	-1	0	322.437	0.857	20	30		DCEDRM
C#CCCCC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@@H]1C	ZINC001281162394	951340589	/nfs/dbraw/zinc/34/05/89/951340589.db2.gz	AIKJODXDWOJONI-JQWIXIFHSA-N	-1	0	318.377	0.946	20	30		DCEDRM
C=CCCCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O	ZINC001281710497	951606842	/nfs/dbraw/zinc/60/68/42/951606842.db2.gz	XCTJZIWJCQIPMI-GHMZBOCLSA-N	-1	0	322.365	0.082	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)[O-]	ZINC001332507513	951673817	/nfs/dbraw/zinc/67/38/17/951673817.db2.gz	QJISRRSUHRCKBM-RKDXNWHRSA-N	-1	0	310.272	0.395	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)N(C)CC(=O)OCC)CCC1	ZINC001332675151	951757381	/nfs/dbraw/zinc/75/73/81/951757381.db2.gz	HJZORLPFQDMBNJ-UHFFFAOYSA-N	-1	0	318.395	0.589	20	30		DCEDRM
C#CCCCC(=O)N[C@@H](C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001335003695	952434930	/nfs/dbraw/zinc/43/49/30/952434930.db2.gz	KEUKCIXKAJESQX-JTQLQIEISA-N	-1	0	318.377	0.804	20	30		DCEDRM
C=CC[C@H]1N(C(=O)C(=O)NCC(=O)[N-]OC)CCCC1(C)C	ZINC001335144931	952470537	/nfs/dbraw/zinc/47/05/37/952470537.db2.gz	OEXIKTMRIZKHKN-LLVKDONJSA-N	-1	0	311.382	0.374	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1	ZINC001411854421	952485852	/nfs/dbraw/zinc/48/58/52/952485852.db2.gz	YGPAQZGMQBMJCO-AXTRIDKLSA-N	-1	0	314.345	0.706	20	30		DCEDRM
COc1cccc(C)c1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412081282	952638027	/nfs/dbraw/zinc/63/80/27/952638027.db2.gz	GNJWZZJDLYBIES-UHFFFAOYSA-N	-1	0	314.301	0.776	20	30		DCEDRM
C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)CS2	ZINC001412294185	952736692	/nfs/dbraw/zinc/73/66/92/952736692.db2.gz	UBAPENWVCKWPGW-TVQRCGJNSA-N	-1	0	316.346	0.546	20	30		DCEDRM
CC(C)c1[nH]ccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412376286	952768592	/nfs/dbraw/zinc/76/85/92/952768592.db2.gz	VYJLWFQUEBUCNO-UHFFFAOYSA-N	-1	0	315.333	0.702	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CCC[C@]23CCCO3)c(=O)[n-]c1=O	ZINC001412504076	952853082	/nfs/dbraw/zinc/85/30/82/952853082.db2.gz	PDBZCSGYTDNBDJ-ABAIWWIYSA-N	-1	0	318.333	0.038	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(=O)N1CCCCC1	ZINC001412509094	952856806	/nfs/dbraw/zinc/85/68/06/952856806.db2.gz	XBHBLOZMKGKDMS-UHFFFAOYSA-N	-1	0	302.334	0.710	20	30		DCEDRM
COC[C@H](NC(=O)c1ccc(C#N)cc1OC)c1nnn[n-]1	ZINC001412608305	952934547	/nfs/dbraw/zinc/93/45/47/952934547.db2.gz	ONWQKNZFFLQAGT-JTQLQIEISA-N	-1	0	302.294	0.197	20	30		DCEDRM
C=CCC1(O)CCN(c2nnc(-c3cc(=O)n(C)[n-]3)n2C)CC1	ZINC001339113735	953073912	/nfs/dbraw/zinc/07/39/12/953073912.db2.gz	FLSZGIKIKNKDMM-UHFFFAOYSA-N	-1	0	318.381	0.829	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CC(C)(C)OC[C@@H]1C	ZINC001340588785	953180265	/nfs/dbraw/zinc/18/02/65/953180265.db2.gz	QYQINHMRNSPRAW-VIFPVBQESA-N	-1	0	304.358	0.648	20	30		DCEDRM
C[C@@H](Sc1nncn1C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC001342557395	953295129	/nfs/dbraw/zinc/29/51/29/953295129.db2.gz	GIOSGBASWKVYOS-BDAKNGLRSA-N	-1	0	318.362	0.621	20	30		DCEDRM
CN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1cc(C#N)ccn1	ZINC001593674886	953909543	/nfs/dbraw/zinc/90/95/43/953909543.db2.gz	DHZHVIAAMFGZIE-LLVKDONJSA-N	-1	0	316.317	0.239	20	30		DCEDRM
C#C[C@H](C)N(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CCCOCC	ZINC001346857514	953970291	/nfs/dbraw/zinc/97/02/91/953970291.db2.gz	ABYDDHJETYZCTL-NSHDSACASA-N	-1	0	318.381	0.387	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(C(=O)[C@H](C)CC#N)C[C@@H]2C(=O)[O-]	ZINC001593821470	955042349	/nfs/dbraw/zinc/04/23/49/955042349.db2.gz	RXLABXVMQLVEPM-GPZIFOQPSA-N	-1	0	308.334	0.649	20	30		DCEDRM
Cc1oc(NC(=O)CN[C@]2(C(=O)[O-])CCOC2)c(C#N)c1C	ZINC001594505785	955354846	/nfs/dbraw/zinc/35/48/46/955354846.db2.gz	DIRMMRRVQAJYRF-CQSZACIVSA-N	-1	0	307.306	0.540	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001352803153	955772916	/nfs/dbraw/zinc/77/29/16/955772916.db2.gz	PNTOFJMFSYSUNK-MNOVXSKESA-N	-1	0	322.365	0.346	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001285851779	956014821	/nfs/dbraw/zinc/01/48/21/956014821.db2.gz	PIYJGDCUDMBPAK-BMIGLBTASA-N	-1	0	322.365	0.082	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC001594588745	956024844	/nfs/dbraw/zinc/02/48/44/956024844.db2.gz	JRSNRJLIIIUXSO-JGVFFNPUSA-N	-1	0	319.243	0.690	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001285918050	956067383	/nfs/dbraw/zinc/06/73/83/956067383.db2.gz	CHDRZOLXWCRBJU-JTQLQIEISA-N	-1	0	322.365	0.393	20	30		DCEDRM
N#CC1(CC(=O)NCC2(C(=O)[O-])CCOCC2)CCOCC1	ZINC001594603360	956155050	/nfs/dbraw/zinc/15/50/50/956155050.db2.gz	BBODXCNOKOJBPJ-UHFFFAOYSA-N	-1	0	310.350	0.694	20	30		DCEDRM
N#CCCCCCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001594608997	956188800	/nfs/dbraw/zinc/18/88/00/956188800.db2.gz	HDEMLFMXBIHFMT-JTQLQIEISA-N	-1	0	302.352	0.171	20	30		DCEDRM
N#Cc1cc(O)cc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)c1	ZINC001594617141	956246278	/nfs/dbraw/zinc/24/62/78/956246278.db2.gz	DOKAJDDQZSBNOK-LLVKDONJSA-N	-1	0	304.258	0.106	20	30		DCEDRM
C=CC[C@@H](NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1)C(=O)[O-]	ZINC001354039568	956257909	/nfs/dbraw/zinc/25/79/09/956257909.db2.gz	QZPIGOBKVPMCLP-RKDXNWHRSA-N	-1	0	309.288	0.952	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(F)c1	ZINC001594620024	956273489	/nfs/dbraw/zinc/27/34/89/956273489.db2.gz	XJEKZNXIYKJHCU-PHIMTYICSA-N	-1	0	312.322	0.980	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)nc1	ZINC001594621397	956284790	/nfs/dbraw/zinc/28/47/90/956284790.db2.gz	KLJUTVWCPKUOQU-JTQLQIEISA-N	-1	0	316.317	0.605	20	30		DCEDRM
N#Cc1cccc(N2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)n1	ZINC001594628327	956329856	/nfs/dbraw/zinc/32/98/56/956329856.db2.gz	KJXMLDNXAGCHBF-QWHCGFSZSA-N	-1	0	314.345	0.713	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc(C)c(C#N)cn2)CCO1	ZINC001593980020	956707802	/nfs/dbraw/zinc/70/78/02/956707802.db2.gz	LXXDGKDZQLMGFL-OAHLLOKOSA-N	-1	0	319.317	0.204	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2cccc(C#N)c2C)CCO1	ZINC001593980012	956708215	/nfs/dbraw/zinc/70/82/15/956708215.db2.gz	LVRDCGYURVHHOC-MRXNPFEDSA-N	-1	0	318.329	0.809	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(c2ccc(C#N)cc2CO)CCO1	ZINC001593983692	956735251	/nfs/dbraw/zinc/73/52/51/956735251.db2.gz	BDENJDFJLFRUAU-OAHLLOKOSA-N	-1	0	306.318	0.357	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(Cc2cccc(C#N)c2F)CCO1	ZINC001593985290	956764773	/nfs/dbraw/zinc/76/47/73/956764773.db2.gz	WCFJVPLJRWBMAX-OAHLLOKOSA-N	-1	0	308.309	0.999	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(c2snc(Cl)c2C#N)CCO1	ZINC001593985506	956770109	/nfs/dbraw/zinc/77/01/09/956770109.db2.gz	RALCUVOFXOKNJL-LLVKDONJSA-N	-1	0	317.754	0.975	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nn(C)c2c1CCCC2	ZINC001356252313	956807059	/nfs/dbraw/zinc/80/70/59/956807059.db2.gz	HEHHUAWDFSEZJC-LLVKDONJSA-N	-1	0	304.350	0.384	20	30		DCEDRM
CC#CCCCC(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001358123242	957427912	/nfs/dbraw/zinc/42/79/12/957427912.db2.gz	ORJLNQVJPDJSBN-SNVBAGLBSA-N	-1	0	306.366	0.852	20	30		DCEDRM
CCOC(=O)C1CCC(Nc2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001413883951	957509355	/nfs/dbraw/zinc/50/93/55/957509355.db2.gz	DRSMHCKTRPQOFO-UHFFFAOYSA-N	-1	0	320.349	0.479	20	30		DCEDRM
C=CCCC(=O)N1CC[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001295687294	957787222	/nfs/dbraw/zinc/78/72/22/957787222.db2.gz	JDNZBWICPHDMFQ-NSHDSACASA-N	-1	0	306.366	0.968	20	30		DCEDRM
Cc1nsc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1C#N	ZINC001361421547	957950831	/nfs/dbraw/zinc/95/08/31/957950831.db2.gz	GVNQFYRTLPGVFM-UHFFFAOYSA-N	-1	0	315.318	0.347	20	30		DCEDRM
C=CCOCC(=O)NC[C@H]1CCCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001296405885	957974616	/nfs/dbraw/zinc/97/46/16/957974616.db2.gz	OGBJKRNGKYMZRI-LLVKDONJSA-N	-1	0	322.365	0.347	20	30		DCEDRM
COc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c(O)c1	ZINC001296514951	958004376	/nfs/dbraw/zinc/00/43/76/958004376.db2.gz	IEEPEOFLKFLUTN-UHFFFAOYSA-N	-1	0	316.273	0.173	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(CC(C)C)nn1C	ZINC001588395697	958042634	/nfs/dbraw/zinc/04/26/34/958042634.db2.gz	QABHMYDYGBMHST-UHFFFAOYSA-N	-1	0	320.349	0.104	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CC[C@H]1CC[C@@H](C2OCCO2)O1	ZINC001588402485	958092895	/nfs/dbraw/zinc/09/28/95/958092895.db2.gz	VREVNJSXPXKBOS-NEPJUHHUSA-N	-1	0	311.334	0.234	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cn(-c2ccccc2)nn1	ZINC001588408737	958116542	/nfs/dbraw/zinc/11/65/42/958116542.db2.gz	BFOAMNVOYWCMCO-UHFFFAOYSA-N	-1	0	313.317	0.497	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CN(C)Cc2ccccc21	ZINC001588408969	958120637	/nfs/dbraw/zinc/12/06/37/958120637.db2.gz	AEICTLLQWUMCRS-CQSZACIVSA-N	-1	0	301.346	0.903	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1nnc(CCCC)s1	ZINC001588420059	958197937	/nfs/dbraw/zinc/19/79/37/958197937.db2.gz	KQKQBFFVVWRWNB-UHFFFAOYSA-N	-1	0	310.379	0.839	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H](OC)C1CCCC1	ZINC001588425200	958223475	/nfs/dbraw/zinc/22/34/75/958223475.db2.gz	JCLDWNUFLMEKFA-GFCCVEGCSA-N	-1	0	303.380	0.541	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cn[nH]c2)n1CC1CC1	ZINC001588426213	958227417	/nfs/dbraw/zinc/22/74/17/958227417.db2.gz	BZWGVJBLJVYDJX-UHFFFAOYSA-N	-1	0	300.322	0.602	20	30		DCEDRM
C[C@@H]1CCC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC001361701852	958231516	/nfs/dbraw/zinc/23/15/16/958231516.db2.gz	QIIWBFISMSTASP-SCVCMEIPSA-N	-1	0	304.350	0.761	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@]2(O)CCSC2)n1CC=C	ZINC001588427252	958242541	/nfs/dbraw/zinc/24/25/41/958242541.db2.gz	RLUVJGBSZVCYDB-AWEZNQCLSA-N	-1	0	322.390	0.313	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H](CC)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001297449853	958261006	/nfs/dbraw/zinc/26/10/06/958261006.db2.gz	PKRZWAVDZPSIRB-VIFPVBQESA-N	-1	0	323.353	0.264	20	30		DCEDRM
Cc1csc([C@@H](C)NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001361733731	958265559	/nfs/dbraw/zinc/26/55/59/958265559.db2.gz	YMJKRYRURRSPNI-MRVPVSSYSA-N	-1	0	319.346	0.463	20	30		DCEDRM
C[C@@H]1CCCC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361740123	958277412	/nfs/dbraw/zinc/27/74/12/958277412.db2.gz	DFANNSMBCXNJTR-ZYHUDNBSSA-N	-1	0	304.350	0.906	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)cc1	ZINC001588433595	958298739	/nfs/dbraw/zinc/29/87/39/958298739.db2.gz	PTQADBGAFGHHOK-MRXNPFEDSA-N	-1	0	303.314	0.949	20	30		DCEDRM
C=CCO[N-]C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC001297984839	958375455	/nfs/dbraw/zinc/37/54/55/958375455.db2.gz	HXGCIPLKFXEPSL-UHFFFAOYSA-N	-1	0	307.262	0.554	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001361829020	958379660	/nfs/dbraw/zinc/37/96/60/958379660.db2.gz	SXPHQJGPIVCOOO-JTQLQIEISA-N	-1	0	315.333	0.888	20	30		DCEDRM
C=CCn1c([C@H](C)CO)nnc1N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588470751	958530850	/nfs/dbraw/zinc/53/08/50/958530850.db2.gz	URHCRBFHNWYKRJ-IAQYHMDHSA-N	-1	0	324.381	0.487	20	30		DCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC001588472080	958540361	/nfs/dbraw/zinc/54/03/61/958540361.db2.gz	JGNIZZRQZLFQHK-SRVKXCTJSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](n1cncn1)C(F)(F)F	ZINC001573364221	958612778	/nfs/dbraw/zinc/61/27/78/958612778.db2.gz	OEARMMDEURUQEC-XVKPBYJWSA-N	-1	0	319.243	0.502	20	30		DCEDRM
CC[C@H]1CCCC[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362046935	958648529	/nfs/dbraw/zinc/64/85/29/958648529.db2.gz	ZBLRTFCOLQOMOP-JQWIXIFHSA-N	-1	0	304.350	0.906	20	30		DCEDRM
N#CCCN(CC1CC1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362055709	958664522	/nfs/dbraw/zinc/66/45/22/958664522.db2.gz	CCPHAOMFARFHRX-UHFFFAOYSA-N	-1	0	315.333	0.363	20	30		DCEDRM
C[C@H]1CCCC[C@@H]1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362197014	958912509	/nfs/dbraw/zinc/91/25/09/958912509.db2.gz	MKJTXDRUSBTKBL-WDEREUQCSA-N	-1	0	304.350	0.763	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC([C@]2(C)COC(=O)N2)CC1	ZINC001588535047	958926873	/nfs/dbraw/zinc/92/68/73/958926873.db2.gz	LZOOCZHDZFTGQC-GJZGRUSLSA-N	-1	0	323.349	0.728	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1noc(C(F)(F)F)n1	ZINC001588542331	958970644	/nfs/dbraw/zinc/97/06/44/958970644.db2.gz	XLYNZGBXPHWHIG-VIFPVBQESA-N	-1	0	306.200	0.709	20	30		DCEDRM
CC(C)C[C@](C)(C#N)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001573502150	959069145	/nfs/dbraw/zinc/06/91/45/959069145.db2.gz	NJWDAOVUFNKPIA-OAHLLOKOSA-N	-1	0	305.334	0.991	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCOCC1CCOCC1	ZINC001588558412	959086432	/nfs/dbraw/zinc/08/64/32/959086432.db2.gz	TUGOKHMEEIBMMY-HNNXBMFYSA-N	-1	0	312.366	0.940	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CCO)C1CCOCC1	ZINC001362313178	959121754	/nfs/dbraw/zinc/12/17/54/959121754.db2.gz	MFWSQIGTNYGGLI-CYBMUJFWSA-N	-1	0	319.361	0.875	20	30		DCEDRM
CSCC[C@@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362316186	959129224	/nfs/dbraw/zinc/12/92/24/959129224.db2.gz	YHDHRGTZMGQDRT-SECBINFHSA-N	-1	0	310.379	0.468	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001491758085	959189590	/nfs/dbraw/zinc/18/95/90/959189590.db2.gz	POQIMWJTGFGMLL-CQSZACIVSA-N	-1	0	323.353	0.121	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O	ZINC001362363274	959215316	/nfs/dbraw/zinc/21/53/16/959215316.db2.gz	XKHSADQXZCYRCA-UFGOTCBOSA-N	-1	0	314.345	0.693	20	30		DCEDRM
Cc1nc(C#N)c(N2CCC(C(=O)NCCC(=O)[O-])CC2)o1	ZINC001594445396	959325577	/nfs/dbraw/zinc/32/55/77/959325577.db2.gz	YLXUUTQOSKFWKM-UHFFFAOYSA-N	-1	0	306.322	0.662	20	30		DCEDRM
CC[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCCO1	ZINC001362463072	959404744	/nfs/dbraw/zinc/40/47/44/959404744.db2.gz	JOQQBJLORQZRKP-RYUDHWBXSA-N	-1	0	320.349	0.284	20	30		DCEDRM
CC(C)(C(=O)[O-])C(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC001588611249	959510369	/nfs/dbraw/zinc/51/03/69/959510369.db2.gz	KQUJSOYYQPVOLZ-UHFFFAOYSA-N	-1	0	302.334	0.713	20	30		DCEDRM
CSC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001362589619	959656314	/nfs/dbraw/zinc/65/63/14/959656314.db2.gz	YPWYSPSYRGPKNG-UHFFFAOYSA-N	-1	0	308.363	0.222	20	30		DCEDRM
CC(=O)[C@@H]1CCCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362591878	959658797	/nfs/dbraw/zinc/65/87/97/959658797.db2.gz	NDZMOJINQZSPTM-LBPRGKRZSA-N	-1	0	318.333	0.181	20	30		DCEDRM
COC(=O)C1=CC[C@@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362668942	959799076	/nfs/dbraw/zinc/79/90/76/959799076.db2.gz	INRZHHDDZLYOPH-LLVKDONJSA-N	-1	0	301.302	0.959	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@H](CCSC)c2nnn[n-]2)nn1	ZINC001301162126	959993544	/nfs/dbraw/zinc/99/35/44/959993544.db2.gz	UCMAGBQGRWEHNC-QMMMGPOBSA-N	-1	0	308.371	0.201	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001303597461	960058889	/nfs/dbraw/zinc/05/88/89/960058889.db2.gz	XCJJCXYZRZPIDC-DYEKYZERSA-N	-1	0	305.382	0.962	20	30		DCEDRM
CN1C(=O)COc2ccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cc21	ZINC001362867828	960110551	/nfs/dbraw/zinc/11/05/51/960110551.db2.gz	VLNUSUVIEMMCDM-UHFFFAOYSA-N	-1	0	322.284	0.761	20	30		DCEDRM
Cc1ccoc1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362961928	960231697	/nfs/dbraw/zinc/23/16/97/960231697.db2.gz	CSYPASKLZKPAIQ-UHFFFAOYSA-N	-1	0	302.290	0.429	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCc2c(nnn2C)C1	ZINC001362963274	960233111	/nfs/dbraw/zinc/23/31/11/960233111.db2.gz	FSHYFMPQCCSRQQ-JTQLQIEISA-N	-1	0	312.333	0.383	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCS(=O)(=O)[C@H](C)C1	ZINC001362973204	960244751	/nfs/dbraw/zinc/24/47/51/960244751.db2.gz	PRAJLUNADFYHHN-KOLCDFICSA-N	-1	0	323.374	0.663	20	30		DCEDRM
N#CC1(CC(=O)N2CCC(O)(c3nnn[n-]3)CC2)CCCCC1	ZINC001363025501	960314126	/nfs/dbraw/zinc/31/41/26/960314126.db2.gz	BOWMAIYKQVBJLH-UHFFFAOYSA-N	-1	0	318.381	0.874	20	30		DCEDRM
Cc1cscc1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363107651	960408007	/nfs/dbraw/zinc/40/80/07/960408007.db2.gz	FMMTYBKUEYRYLD-UHFFFAOYSA-N	-1	0	318.358	0.897	20	30		DCEDRM
N#Cc1ccc(N[C@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]3)C2)nc1	ZINC001363122083	960433398	/nfs/dbraw/zinc/43/33/98/960433398.db2.gz	DQLIIBSBRPLTSA-JTQLQIEISA-N	-1	0	313.321	0.494	20	30		DCEDRM
CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CCC[C@@H]1C#N	ZINC001363128596	960443093	/nfs/dbraw/zinc/44/30/93/960443093.db2.gz	IBKSTYCABIJMGD-MWLCHTKSSA-N	-1	0	300.322	0.222	20	30		DCEDRM
CN(C)c1ncccc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571077013	960965312	/nfs/dbraw/zinc/96/53/12/960965312.db2.gz	RRAMYGLLAOFWKN-UHFFFAOYSA-N	-1	0	302.334	0.978	20	30		DCEDRM
CC(C)[C@]1(C)C[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363395879	961066292	/nfs/dbraw/zinc/06/62/92/961066292.db2.gz	WKHNZXGSXXEGIS-NHYWBVRUSA-N	-1	0	304.350	0.761	20	30		DCEDRM
CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001447062135	1013231238	/nfs/dbraw/zinc/23/12/38/1013231238.db2.gz	JTUJPSCSWQJIKD-LBPRGKRZSA-N	-1	0	311.363	0.776	20	30		DCEDRM
N#C[C@@]1(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)CCCOC1	ZINC001363429351	961131425	/nfs/dbraw/zinc/13/14/25/961131425.db2.gz	CTOIVGRHASOHQA-FZMZJTMJSA-N	-1	0	304.354	0.301	20	30		DCEDRM
N#C[C@]1(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)CCCOC1	ZINC001363429342	961132382	/nfs/dbraw/zinc/13/23/82/961132382.db2.gz	CTOIVGRHASOHQA-BXUZGUMPSA-N	-1	0	304.354	0.301	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)[C@H]1CCCOC1	ZINC001363445188	961171051	/nfs/dbraw/zinc/17/10/51/961171051.db2.gz	PKUVZAAHXIHGKS-JQWIXIFHSA-N	-1	0	305.334	0.485	20	30		DCEDRM
N#Cc1cccc2c1CCN2C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001363448992	961176311	/nfs/dbraw/zinc/17/63/11/961176311.db2.gz	OKPACTHSVZUZOX-UHFFFAOYSA-N	-1	0	321.296	0.282	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CCc3ccccc32)c(=O)[n-]c1=O	ZINC001363473680	961228907	/nfs/dbraw/zinc/22/89/07/961228907.db2.gz	MBPJFIYPPNDSEL-CYBMUJFWSA-N	-1	0	310.313	0.624	20	30		DCEDRM
CC1(C)CCC[C@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363481542	961247663	/nfs/dbraw/zinc/24/76/63/961247663.db2.gz	GZWMVVBVTOUDMD-NSHDSACASA-N	-1	0	304.350	0.763	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC001571106567	961283437	/nfs/dbraw/zinc/28/34/37/961283437.db2.gz	RWEPQMNSALZDSJ-ZDUSSCGKSA-N	-1	0	310.331	0.275	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])c1	ZINC001571111579	961334609	/nfs/dbraw/zinc/33/46/09/961334609.db2.gz	BHULRRYFQJLBFY-PWSUYJOCSA-N	-1	0	312.322	0.980	20	30		DCEDRM
C#CC[C@H](NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC001333827861	961726812	/nfs/dbraw/zinc/72/68/12/961726812.db2.gz	AHHBKLYDRUZTAE-MJBXVCDLSA-N	-1	0	314.341	0.847	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC001571150751	961801000	/nfs/dbraw/zinc/80/10/00/961801000.db2.gz	MBTPHJRPAOFDBH-RNCFNFMXSA-N	-1	0	321.333	0.159	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](CO)CCc2ccccc2)c(C#N)c1=O	ZINC001363747695	961804026	/nfs/dbraw/zinc/80/40/26/961804026.db2.gz	DEBQTEQGWICKCI-LBPRGKRZSA-N	-1	0	314.345	0.351	20	30		DCEDRM
COC(=O)c1ccc(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)cc1	ZINC001363758867	961820901	/nfs/dbraw/zinc/82/09/01/961820901.db2.gz	GOSZSDDOHBFSLH-UHFFFAOYSA-N	-1	0	313.269	0.078	20	30		DCEDRM
C[C@@H](O)C[C@@H]1COCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001363798068	961909273	/nfs/dbraw/zinc/90/92/73/961909273.db2.gz	GNLFGYZRUNBLJM-ZWNOBZJWSA-N	-1	0	317.349	0.278	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)n1)C(=O)[O-]	ZINC001588881177	962150145	/nfs/dbraw/zinc/15/01/45/962150145.db2.gz	RPHRJWIFIGXTCW-SNVBAGLBSA-N	-1	0	304.306	0.507	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)CNc1ccc(C#N)cc1	ZINC001574056898	962197098	/nfs/dbraw/zinc/19/70/98/962197098.db2.gz	VQFQDUXOMLQLII-UHFFFAOYSA-N	-1	0	319.317	0.446	20	30		DCEDRM
CCOC(=O)c1n[nH]c(CNC(=O)c2ccc(C#N)nc2)n1	ZINC001364059607	962389732	/nfs/dbraw/zinc/38/97/32/962389732.db2.gz	FVZPUBJOILTQDK-UHFFFAOYSA-N	-1	0	300.278	0.178	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cccc(Cl)c2)c(=O)[n-]c1=O	ZINC001364110217	962490865	/nfs/dbraw/zinc/49/08/65/962490865.db2.gz	WTYCKOSJYFXUJV-UHFFFAOYSA-N	-1	0	318.720	0.904	20	30		DCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@H](O)c1ccccc1	ZINC001364195627	962650484	/nfs/dbraw/zinc/65/04/84/962650484.db2.gz	RJAYAVNSGZUMFG-SKDRFNHKSA-N	-1	0	300.318	0.479	20	30		DCEDRM
C[C@H]1CCC[C@@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364221817	962700095	/nfs/dbraw/zinc/70/00/95/962700095.db2.gz	WHTKLEKAZQOBEX-ONGXEEELSA-N	-1	0	305.338	0.308	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1	ZINC001573326608	962807571	/nfs/dbraw/zinc/80/75/71/962807571.db2.gz	ZDSZWEOFZDDEGD-LLVKDONJSA-N	-1	0	301.364	0.586	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C)C(=O)[O-]	ZINC000275068543	962821742	/nfs/dbraw/zinc/82/17/42/962821742.db2.gz	WAIWLCVUSHYKHE-LLVKDONJSA-N	-1	0	322.346	0.032	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC001588997968	962867967	/nfs/dbraw/zinc/86/79/67/962867967.db2.gz	GQHGWSVWUKKQFQ-NSHDSACASA-N	-1	0	317.349	0.648	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4C(=O)[O-])C[C@H]32)C1	ZINC001573344104	962912548	/nfs/dbraw/zinc/91/25/48/962912548.db2.gz	OFPQXZNXHVWDIN-KVSVUVNWSA-N	-1	0	318.373	0.636	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCSC[C@H]1CO)cc2=O	ZINC001364361440	962958712	/nfs/dbraw/zinc/95/87/12/962958712.db2.gz	ZUEVICFZEKIUQN-LLVKDONJSA-N	-1	0	305.363	0.216	20	30		DCEDRM
C=CCCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C2	ZINC001573353381	963000665	/nfs/dbraw/zinc/00/06/65/963000665.db2.gz	UEYGDVFNCIFCEE-VXGBXAGGSA-N	-1	0	306.362	0.734	20	30		DCEDRM
C=CCOCC(=O)Nc1ccc(S(C)(=O)=O)cc1C(=O)[O-]	ZINC001573368595	963083483	/nfs/dbraw/zinc/08/34/83/963083483.db2.gz	GZEJWDUSGCQTLT-UHFFFAOYSA-N	-1	0	313.331	0.929	20	30		DCEDRM
C#CCCCCNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001588442487	964057998	/nfs/dbraw/zinc/05/79/98/964057998.db2.gz	SIUWZDLZSOERQS-GFCCVEGCSA-N	-1	0	306.362	0.619	20	30		DCEDRM
CCn1nc(C([O-])=C(C#N)C(=O)NCCOC)cc1C1CC1	ZINC001515342338	1017117571	/nfs/dbraw/zinc/11/75/71/1017117571.db2.gz	CTURYLQRGDXVIT-NSHDSACASA-N	-1	0	304.350	0.865	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2n[nH]cc2C)n1CC=C	ZINC001588426441	969881420	/nfs/dbraw/zinc/88/14/20/969881420.db2.gz	JQXKALOYCAMFLD-UHFFFAOYSA-N	-1	0	300.322	0.687	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2nccn2C)n1CC1CC1	ZINC001588426354	969881749	/nfs/dbraw/zinc/88/17/49/969881749.db2.gz	HFQLKUWTDBBGQQ-UHFFFAOYSA-N	-1	0	314.349	0.613	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-]	ZINC000317062638	970323861	/nfs/dbraw/zinc/32/38/61/970323861.db2.gz	FJDVNOQJDUPLSX-UHFFFAOYSA-N	-1	0	322.342	0.470	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001604188789	972620489	/nfs/dbraw/zinc/62/04/89/972620489.db2.gz	SRURCCGURGHRSJ-BETUJISGSA-N	-1	0	315.329	0.496	20	30		DCEDRM
Cc1cc(NC(=O)NCCOCCOCC(=O)[O-])ncc1C#N	ZINC001605202013	972938410	/nfs/dbraw/zinc/93/84/10/972938410.db2.gz	KFKWZOQNLAUSRC-UHFFFAOYSA-N	-1	0	322.321	0.501	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])c1c(C#N)cccc1[N+](=O)[O-]	ZINC001604317259	972975401	/nfs/dbraw/zinc/97/54/01/972975401.db2.gz	IHAKWDWXXSNXQY-UHFFFAOYSA-N	-1	0	307.262	0.921	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC001604322097	973002039	/nfs/dbraw/zinc/00/20/39/973002039.db2.gz	LIDCPJUKRLSPQB-NSHDSACASA-N	-1	0	308.265	0.834	20	30		DCEDRM
C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCOCC2)C[C@H](C)N1CC#N	ZINC001603438697	973208377	/nfs/dbraw/zinc/20/83/77/973208377.db2.gz	DQZWXAVFDOEZSN-TXEJJXNPSA-N	-1	0	309.366	0.313	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC001604455668	973299136	/nfs/dbraw/zinc/29/91/36/973299136.db2.gz	YRENQELVPMKPEX-CJNGLKHVSA-N	-1	0	318.329	0.948	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(c2cc(C#N)ccc2[N+](=O)[O-])CCO1	ZINC001604563793	973619956	/nfs/dbraw/zinc/61/99/56/973619956.db2.gz	CINJNLRZKRARTN-CQSZACIVSA-N	-1	0	321.289	0.773	20	30		DCEDRM
N#C[C@]1(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC12CCCC2	ZINC001605576801	973851287	/nfs/dbraw/zinc/85/12/87/973851287.db2.gz	UBDDGHZUKBIRRU-HNNXBMFYSA-N	-1	0	305.334	0.216	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCN1C1CC1	ZINC001605582837	973867180	/nfs/dbraw/zinc/86/71/80/973867180.db2.gz	FQOMZSHWMVFJFZ-NTZNESFSSA-N	-1	0	306.366	0.621	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1	ZINC001605590392	973883241	/nfs/dbraw/zinc/88/32/41/973883241.db2.gz	CVODTVGNXKNIIQ-VHSXEESVSA-N	-1	0	314.363	0.074	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)CC(=O)[O-]	ZINC001603861794	974366449	/nfs/dbraw/zinc/36/64/49/974366449.db2.gz	AYCTYBPSZAJPGI-VIFPVBQESA-N	-1	0	319.317	0.875	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001592221781	977403179	/nfs/dbraw/zinc/40/31/79/977403179.db2.gz	NUXBRASRCJZPHX-GVXVVHGQSA-N	-1	0	315.395	0.652	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC001592222542	977408481	/nfs/dbraw/zinc/40/84/81/977408481.db2.gz	YDWZOZQMNIEDEU-MNOVXSKESA-N	-1	0	303.384	0.794	20	30		DCEDRM
C[C@@](CC(=O)[O-])(NS(=O)(=O)c1cccnc1C#N)C1CC1	ZINC001592334434	977778800	/nfs/dbraw/zinc/77/88/00/977778800.db2.gz	QCIAVSWNMTXEOR-ZDUSSCGKSA-N	-1	0	309.347	0.875	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000717921059	977925353	/nfs/dbraw/zinc/92/53/53/977925353.db2.gz	SKLVRVBDLJGUDC-MRVPVSSYSA-N	-1	0	303.361	0.499	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2cc3ccccc3[nH]2)c(=O)[n-]c1=O	ZINC001449455826	1014486395	/nfs/dbraw/zinc/48/63/95/1014486395.db2.gz	QKQBYGAJJSUNMI-UHFFFAOYSA-N	-1	0	323.312	0.618	20	30		DCEDRM
C[C@@H](CNC(=O)C#CC1CC1)N(C)c1ccnc(C(=O)[O-])n1	ZINC001592624453	978598313	/nfs/dbraw/zinc/59/83/13/978598313.db2.gz	JCRQRRFJHAEOLT-JTQLQIEISA-N	-1	0	302.334	0.529	20	30		DCEDRM
CC[C@@H]1CCCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001595453452	981119611	/nfs/dbraw/zinc/11/96/11/981119611.db2.gz	SEHLEUGTCONADA-GFCCVEGCSA-N	-1	0	321.377	0.852	20	30		DCEDRM
CCCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@@H](C)C(=O)[O-]	ZINC001595817405	982680409	/nfs/dbraw/zinc/68/04/09/982680409.db2.gz	WCRDUPUXJCIZCR-DZOVYVGFSA-N	-1	0	323.349	0.615	20	30		DCEDRM
CC[C@H](C)N(CC)C(=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001594982670	982781199	/nfs/dbraw/zinc/78/11/99/982781199.db2.gz	PBYWIFANUQIOJJ-NSHDSACASA-N	-1	0	309.366	0.850	20	30		DCEDRM
N#CC1(CNC(=O)Nc2ccn(CC(=O)[O-])n2)CCOCC1	ZINC001574241388	983200729	/nfs/dbraw/zinc/20/07/29/983200729.db2.gz	LHVDYOOOBLHBPJ-UHFFFAOYSA-N	-1	0	307.310	0.410	20	30		DCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)[O-]	ZINC001588368928	983309000	/nfs/dbraw/zinc/30/90/00/983309000.db2.gz	VSAIUEREAHXNDT-MRVPVSSYSA-N	-1	0	311.315	0.471	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCSC[C@@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC001588372505	983331627	/nfs/dbraw/zinc/33/16/27/983331627.db2.gz	MCQBGQGEPAOSCN-SDDRHHMPSA-N	-1	0	312.391	0.626	20	30		DCEDRM
C#C[C@H](NC(=O)COCc1ocnc1C(=O)[O-])C1CCOCC1	ZINC001588372798	983334151	/nfs/dbraw/zinc/33/41/51/983334151.db2.gz	SWSUHTRRWNNGFN-NSHDSACASA-N	-1	0	322.317	0.434	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cccnc1C(=O)[O-])[C@H]1CCCO1	ZINC001588375877	983348155	/nfs/dbraw/zinc/34/81/55/983348155.db2.gz	LMEFQEWXVRNAJQ-NXEZZACHSA-N	-1	0	310.331	0.239	20	30		DCEDRM
C#CC1(O)CCN(C(=O)NCc2cc(C(=O)[O-])c(C)n2C)CC1	ZINC001588379800	983365744	/nfs/dbraw/zinc/36/57/44/983365744.db2.gz	RYJBULPYSYGYRU-UHFFFAOYSA-N	-1	0	319.361	0.701	20	30		DCEDRM
C#CC1(O)CN(C(=O)Nc2nnc(CCCC(=O)[O-])s2)C1	ZINC001588379935	983366578	/nfs/dbraw/zinc/36/65/78/983366578.db2.gz	VYAAQGCVALIMQG-UHFFFAOYSA-N	-1	0	310.335	0.157	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-]	ZINC001588424562	983455894	/nfs/dbraw/zinc/45/58/94/983455894.db2.gz	XBYOURPJCYZGRY-MRVPVSSYSA-N	-1	0	322.264	0.855	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC001588428545	983462531	/nfs/dbraw/zinc/46/25/31/983462531.db2.gz	SAZPSRIWSVMAAB-JTQLQIEISA-N	-1	0	312.734	0.966	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)CCO2)C(=O)[O-]	ZINC001588428628	983463105	/nfs/dbraw/zinc/46/31/05/983463105.db2.gz	VNFVHAAVNQKAFV-NSHDSACASA-N	-1	0	323.326	0.407	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC001588434632	983471293	/nfs/dbraw/zinc/47/12/93/983471293.db2.gz	PDNCDKTWESXHFT-VIFPVBQESA-N	-1	0	324.358	0.584	20	30		DCEDRM
C#CC[C@H]1CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1	ZINC001588434656	983471475	/nfs/dbraw/zinc/47/14/75/983471475.db2.gz	PMQBSZHZFCQXMZ-QMMMGPOBSA-N	-1	0	300.361	0.875	20	30		DCEDRM
C#CCCCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001588435266	983475418	/nfs/dbraw/zinc/47/54/18/983475418.db2.gz	IVBXFUWJJSCWII-VXGBXAGGSA-N	-1	0	306.362	0.666	20	30		DCEDRM
C#CCN1CCN(C(=O)COc2ccc(C)c(C(=O)[O-])c2)CC1	ZINC001588476655	983512503	/nfs/dbraw/zinc/51/25/03/983512503.db2.gz	GFCCYBJVDSAZDD-UHFFFAOYSA-N	-1	0	316.357	0.849	20	30		DCEDRM
C#CCNC(=O)[C@H](C)N(C)Cc1ccc(OCC(=O)[O-])cc1	ZINC001588479440	983519792	/nfs/dbraw/zinc/51/97/92/983519792.db2.gz	OGGXHLBFCYDUBK-LBPRGKRZSA-N	-1	0	304.346	0.720	20	30		DCEDRM
C#CCNC(=S)N(CCC(=O)[O-])CC(=O)OC(C)(C)C	ZINC001588485150	983524131	/nfs/dbraw/zinc/52/41/31/983524131.db2.gz	DTMUAVPSIVPUEU-UHFFFAOYSA-N	-1	0	300.380	0.613	20	30		DCEDRM
C#CCOCCn1nnnc1N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001588499082	983544973	/nfs/dbraw/zinc/54/49/73/983544973.db2.gz	MRLKTOAJSKBANR-LLVKDONJSA-N	-1	0	305.338	0.014	20	30		DCEDRM
C#CCSCCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001588506220	983550876	/nfs/dbraw/zinc/55/08/76/983550876.db2.gz	KDOIFKDSSZXNNJ-UHFFFAOYSA-N	-1	0	303.365	0.061	20	30		DCEDRM
C#Cc1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1	ZINC001588510359	983555470	/nfs/dbraw/zinc/55/54/70/983555470.db2.gz	BEKDTXJYJUYFMJ-OLZOCXBDSA-N	-1	0	300.314	0.235	20	30		DCEDRM
C#Cc1cccc(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1	ZINC001588518148	983568070	/nfs/dbraw/zinc/56/80/70/983568070.db2.gz	SFPIQGRGKIYSGS-ZIAGYGMSSA-N	-1	0	302.330	0.645	20	30		DCEDRM
C#Cc1cccc(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1	ZINC001588518147	983568088	/nfs/dbraw/zinc/56/80/88/983568088.db2.gz	SFPIQGRGKIYSGS-UONOGXRCSA-N	-1	0	302.330	0.645	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC(CC(=O)[O-])C1	ZINC001588535051	983587801	/nfs/dbraw/zinc/58/78/01/983587801.db2.gz	JWNVOONSVGHYTN-YFTKGUKSSA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588535430	983589010	/nfs/dbraw/zinc/58/90/10/983589010.db2.gz	HMZSMDDMVQOWAU-WYUUTHIRSA-N	-1	0	303.380	0.750	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C(=O)OC	ZINC001588540646	983604434	/nfs/dbraw/zinc/60/44/34/983604434.db2.gz	JPOOIHXCMQSAJR-QJPTWQEYSA-N	-1	0	313.350	0.880	20	30		DCEDRM
CCN(CC(=O)[O-])CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC001596222079	983612901	/nfs/dbraw/zinc/61/29/01/983612901.db2.gz	DWPMLISZCBJBDX-CYBMUJFWSA-N	-1	0	310.398	0.085	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001588546991	983617817	/nfs/dbraw/zinc/61/78/17/983617817.db2.gz	GQYKPXBHWSCHCH-LLVKDONJSA-N	-1	0	308.338	0.686	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@](CC)(COC)C(=O)[O-]	ZINC001596231052	983625746	/nfs/dbraw/zinc/62/57/46/983625746.db2.gz	GMALUDGIKIGPKM-PWSUYJOCSA-N	-1	0	321.399	0.182	20	30		DCEDRM
C=C(C)Cn1c(C2CC(O)C2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588591995	983675182	/nfs/dbraw/zinc/67/51/82/983675182.db2.gz	PJQZKKNNGUUYML-HTAVTVPLSA-N	-1	0	322.365	0.382	20	30		DCEDRM
C=C(C)Cn1c(C[C@@H](C)O)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588597168	983678555	/nfs/dbraw/zinc/67/85/55/983678555.db2.gz	AZHLUJQIUITJSQ-IAQYHMDHSA-N	-1	0	324.381	0.457	20	30		DCEDRM
C=C(C)Cn1c(COCC)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588598178	983681886	/nfs/dbraw/zinc/68/18/86/983681886.db2.gz	UMDLKBHISOHMJR-NSHDSACASA-N	-1	0	310.354	0.681	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588599198	983688658	/nfs/dbraw/zinc/68/86/58/983688658.db2.gz	IJXVIRSKRFSKOW-QCNOEVLYSA-N	-1	0	311.334	0.300	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1	ZINC001588613671	983704757	/nfs/dbraw/zinc/70/47/57/983704757.db2.gz	BVGGJARPUUOYOZ-LLVKDONJSA-N	-1	0	318.395	0.195	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O	ZINC001588614818	983709130	/nfs/dbraw/zinc/70/91/30/983709130.db2.gz	CRIOXYRAKYDDMK-BONVTDFDSA-N	-1	0	323.349	0.387	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCN(CC(=O)OCC)CC1	ZINC001588615089	983710298	/nfs/dbraw/zinc/71/02/98/983710298.db2.gz	JPNUQOWQWAKJCL-UHFFFAOYSA-N	-1	0	312.366	0.505	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001596300344	983729150	/nfs/dbraw/zinc/72/91/50/983729150.db2.gz	WBNAYVUUOSDUJY-WDEREUQCSA-N	-1	0	303.384	0.700	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC001588624228	983730460	/nfs/dbraw/zinc/73/04/60/983730460.db2.gz	BAXGNTQXVLTECL-UHFFFAOYSA-N	-1	0	317.285	0.501	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCN1C[C@@H]2CCCCN2C1=O	ZINC001588624309	983731033	/nfs/dbraw/zinc/73/10/33/983731033.db2.gz	DSTGKIUJIACRSQ-LBPRGKRZSA-N	-1	0	309.366	0.814	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1ccnc(-n2cncn2)c1	ZINC001588629597	983738263	/nfs/dbraw/zinc/73/82/63/983738263.db2.gz	FWLUSTAMIJHDBT-UHFFFAOYSA-N	-1	0	301.306	0.700	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cncc(C#N)n1	ZINC001596333179	983771817	/nfs/dbraw/zinc/77/18/17/983771817.db2.gz	NSIBFEBGHKJKNJ-WDEREUQCSA-N	-1	0	303.322	0.011	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1	ZINC001588669681	983813213	/nfs/dbraw/zinc/81/32/13/983813213.db2.gz	MPRKBHZSBLPCNV-LBPRGKRZSA-N	-1	0	318.329	0.812	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1	ZINC001588672858	983827158	/nfs/dbraw/zinc/82/71/58/983827158.db2.gz	AOBKRMJBNCNCKC-NSHDSACASA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC001588683717	983850546	/nfs/dbraw/zinc/85/05/46/983850546.db2.gz	CQMNJTZPKXBXBC-IINYFYTJSA-N	-1	0	300.355	0.045	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@@](OC)(C(=O)[O-])C2)n1CC(=C)C	ZINC001588706397	983930682	/nfs/dbraw/zinc/93/06/82/983930682.db2.gz	YWTHXHDLKDTEMR-ABAIWWIYSA-N	-1	0	322.365	0.754	20	30		DCEDRM
C=C[C@@H](OC(=O)CN1c2ccccc2OCCC1=O)C(=O)[O-]	ZINC001588710588	983933108	/nfs/dbraw/zinc/93/31/08/983933108.db2.gz	FPVWBLLCCNEAIJ-LLVKDONJSA-N	-1	0	305.286	0.985	20	30		DCEDRM
C=CC[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-])c1ccncc1	ZINC001588742549	984033513	/nfs/dbraw/zinc/03/35/13/984033513.db2.gz	GGGOLJUIPAMLLF-JHJVBQTASA-N	-1	0	317.345	0.652	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001588754332	984093704	/nfs/dbraw/zinc/09/37/04/984093704.db2.gz	YDUJQBMYMPIURV-JQWIXIFHSA-N	-1	0	321.333	0.736	20	30		DCEDRM
C=CCC1(O)CCN(Cn2nc(C(=O)OC)cc2C(=O)[O-])CC1	ZINC001588769548	984133967	/nfs/dbraw/zinc/13/39/67/984133967.db2.gz	YFIYHEQIUUCTMX-UHFFFAOYSA-N	-1	0	323.349	0.728	20	30		DCEDRM
C=CCCC(=O)N1C[C@H](Nc2ccnc(C(=O)[O-])n2)C[C@H]1C	ZINC001588774032	984150277	/nfs/dbraw/zinc/15/02/77/984150277.db2.gz	PEXQUEXCJIOOAQ-GHMZBOCLSA-N	-1	0	304.350	0.964	20	30		DCEDRM
C=CC[C@H]1NC(=O)N([C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1=O	ZINC001588773998	984150395	/nfs/dbraw/zinc/15/03/95/984150395.db2.gz	OESQYDZFFRQQGN-YJVGMPMCSA-N	-1	0	308.334	0.895	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1cc2n(n1)C[C@@H](C)NC2)C(=O)[O-]	ZINC001588793287	984217733	/nfs/dbraw/zinc/21/77/33/984217733.db2.gz	VOYMJEKIVWNQDV-PWSUYJOCSA-N	-1	0	306.366	0.914	20	30		DCEDRM
C=CCCCN(CC)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001588801691	984247136	/nfs/dbraw/zinc/24/71/36/984247136.db2.gz	UONCOBJRHHSMJU-NWDGAFQWSA-N	-1	0	312.366	0.095	20	30		DCEDRM
C=CCCCn1nnnc1N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588805662	984255296	/nfs/dbraw/zinc/25/52/96/984255296.db2.gz	KEKUSNUKYUDVDD-CYBMUJFWSA-N	-1	0	306.326	0.449	20	30		DCEDRM
C=CCCOC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001588808524	984262429	/nfs/dbraw/zinc/26/24/29/984262429.db2.gz	FWEZXRVMDBGYEG-LMLFDSFASA-N	-1	0	300.307	0.916	20	30		DCEDRM
C=CCCS(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588813350	984269650	/nfs/dbraw/zinc/26/96/50/984269650.db2.gz	PCVYZVMHFHQRLZ-VIFPVBQESA-N	-1	0	300.340	0.129	20	30		DCEDRM
C=CCCn1cc(C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])nn1	ZINC001588817185	984274710	/nfs/dbraw/zinc/27/47/10/984274710.db2.gz	CPOPAMSHMINKBN-LBPRGKRZSA-N	-1	0	310.354	0.804	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1	ZINC001588822342	984289742	/nfs/dbraw/zinc/28/97/42/984289742.db2.gz	HZQKIUYVZHBUBR-ZIAGYGMSSA-N	-1	0	316.357	0.958	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2ccc(C(=O)[O-])n2C)C1=O	ZINC001588837289	984333769	/nfs/dbraw/zinc/33/37/69/984333769.db2.gz	XPBBBWUFMRKAIE-NSHDSACASA-N	-1	0	305.334	0.582	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC001588843609	984352803	/nfs/dbraw/zinc/35/28/03/984352803.db2.gz	ATJIUDNYDZDSON-UHFFFAOYSA-N	-1	0	324.333	0.577	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C[C@@H](C)CC(=O)[O-]	ZINC001588843819	984354394	/nfs/dbraw/zinc/35/43/94/984354394.db2.gz	HRUOMLPDXQJGKH-DTWKUNHWSA-N	-1	0	300.311	0.431	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588844540	984358403	/nfs/dbraw/zinc/35/84/03/984358403.db2.gz	LMNCQAWGINAGJR-VIFPVBQESA-N	-1	0	323.353	0.515	20	30		DCEDRM
C=CCNC(=O)CN[C@@H](C(=O)[O-])c1ccc(OC)cc1OC	ZINC001588844881	984360568	/nfs/dbraw/zinc/36/05/68/984360568.db2.gz	YGULCFWLAGHGCF-CQSZACIVSA-N	-1	0	308.334	0.721	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1	ZINC001588849809	984375061	/nfs/dbraw/zinc/37/50/61/984375061.db2.gz	KAKADHDQJALFDA-MRVPVSSYSA-N	-1	0	302.308	0.338	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21)C(=O)[O-]	ZINC001588855937	984395823	/nfs/dbraw/zinc/39/58/23/984395823.db2.gz	RSJTULJOCUEAOW-LPWJVIDDSA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC)C(=O)[O-]	ZINC001588856105	984396941	/nfs/dbraw/zinc/39/69/41/984396941.db2.gz	CNMFUGQPIBYRRO-WDEREUQCSA-N	-1	0	316.354	0.529	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccnc(N2CCCC2)n1)C(=O)[O-]	ZINC001588860269	984411739	/nfs/dbraw/zinc/41/17/39/984411739.db2.gz	OVPLSHITPZXWSK-GFCCVEGCSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001588860338	984412281	/nfs/dbraw/zinc/41/22/81/984412281.db2.gz	QQGIZYWDSZEFNH-QMMMGPOBSA-N	-1	0	312.282	0.197	20	30		DCEDRM
C=CCOC[C@H]1NC(=O)N(Cc2cc(C(=O)[O-])c(C)o2)C1=O	ZINC001588867071	984429805	/nfs/dbraw/zinc/42/98/05/984429805.db2.gz	VXRBFDSYPCTHTG-LLVKDONJSA-N	-1	0	308.290	0.909	20	30		DCEDRM
C=CCOC[C@H]1NC(=O)N([C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1=O	ZINC001588867066	984430076	/nfs/dbraw/zinc/43/00/76/984430076.db2.gz	VUTNNEUXRNSLMV-ROHXPCBUSA-N	-1	0	308.334	0.609	20	30		DCEDRM
C=CCOc1cccc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])c1	ZINC001588872703	984441428	/nfs/dbraw/zinc/44/14/28/984441428.db2.gz	CTCAFBOCRBFKFK-LLVKDONJSA-N	-1	0	322.317	0.142	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC001588878945	984456215	/nfs/dbraw/zinc/45/62/15/984456215.db2.gz	OSBIRLNBAFZFID-SNVBAGLBSA-N	-1	0	300.380	0.488	20	30		DCEDRM
C=CCn1c(-c2cn[nH]c2)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001588890365	984485977	/nfs/dbraw/zinc/48/59/77/984485977.db2.gz	ZVNZECXBCUZJTD-LLVKDONJSA-N	-1	0	318.337	0.534	20	30		DCEDRM
C=CCn1c([C@@H](O)CC)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588896146	984499161	/nfs/dbraw/zinc/49/91/61/984499161.db2.gz	QCTSOXWCPPUMPY-HZMBPMFUSA-N	-1	0	310.354	0.587	20	30		DCEDRM
C=CCn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1C1(CO)CCC1	ZINC001588905180	984536116	/nfs/dbraw/zinc/53/61/16/984536116.db2.gz	SCFVJEHMOHNSTC-NSHDSACASA-N	-1	0	322.365	0.168	20	30		DCEDRM
C=CCn1cc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)nn1	ZINC001588908992	984541150	/nfs/dbraw/zinc/54/11/50/984541150.db2.gz	DBCARCVDMPCKBS-UHFFFAOYSA-N	-1	0	322.350	0.975	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)nn1	ZINC001588909793	984545285	/nfs/dbraw/zinc/54/52/85/984545285.db2.gz	AJXCRUCDBHHLJS-VTWZXRTESA-N	-1	0	320.349	0.606	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588919485	984572138	/nfs/dbraw/zinc/57/21/38/984572138.db2.gz	BEGNROBWEGUAHX-OLUVUFQESA-N	-1	0	309.322	0.345	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1ccc(OC)cc1CC(=O)[O-]	ZINC001588919837	984574679	/nfs/dbraw/zinc/57/46/79/984574679.db2.gz	RKKUXROACSGAAO-SNVBAGLBSA-N	-1	0	315.347	0.148	20	30		DCEDRM
CC#CCCCC(=O)NC[C@@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001588924942	984584735	/nfs/dbraw/zinc/58/47/35/984584735.db2.gz	ISIFNMOSMMYVHX-LBPRGKRZSA-N	-1	0	318.377	0.955	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001588925815	984588796	/nfs/dbraw/zinc/58/87/96/984588796.db2.gz	XDIXRDYYZTVOFU-GFCCVEGCSA-N	-1	0	317.407	0.715	20	30		DCEDRM
C/C(=C/C(=O)[O-])Cn1cc(CN2CCOCC2)cc(C#N)c1=O	ZINC001588952327	984685210	/nfs/dbraw/zinc/68/52/10/984685210.db2.gz	NOTWEQHTADFLNX-SDQBBNPISA-N	-1	0	317.345	0.583	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001524985230	1015084946	/nfs/dbraw/zinc/08/49/46/1015084946.db2.gz	NPDURJOVZNVHMT-KZWBYHQPSA-N	-1	0	303.318	0.363	20	30		DCEDRM
C[C@@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC001594524811	986027568	/nfs/dbraw/zinc/02/75/68/986027568.db2.gz	DZECNXKYOHYMRN-LLVKDONJSA-N	-1	0	303.384	0.101	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001599974770	986071024	/nfs/dbraw/zinc/07/10/24/986071024.db2.gz	IFIGTAXAPLHDSB-UHFFFAOYSA-N	-1	0	314.305	0.978	20	30		DCEDRM
C[C@@H](C#N)C(=O)N(C)[C@@H](CNc1ncc(C(=O)[O-])cn1)C1CC1	ZINC001589323924	986152396	/nfs/dbraw/zinc/15/23/96/986152396.db2.gz	RHFCBYWOVYRQMB-CABZTGNLSA-N	-1	0	317.349	0.983	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1CN(c2ccnc(C(=O)[O-])n2)CC1(C)C	ZINC001589328317	986156831	/nfs/dbraw/zinc/15/68/31/986156831.db2.gz	ADYXOMYSCLSTTP-UWVGGRQHSA-N	-1	0	317.349	0.665	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001589328991	986159755	/nfs/dbraw/zinc/15/97/55/986159755.db2.gz	HGATWGLSDYSBPO-KOLCDFICSA-N	-1	0	303.322	0.737	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001589329079	986160931	/nfs/dbraw/zinc/16/09/31/986160931.db2.gz	IGJDSXBZOICQJY-SNVBAGLBSA-N	-1	0	303.318	0.870	20	30		DCEDRM
CC(C)[C@@H](CCNC(=O)[C@@H](C)C#N)Nc1ccnc(C(=O)[O-])n1	ZINC001589329885	986168108	/nfs/dbraw/zinc/16/81/08/986168108.db2.gz	VODRNQUOELALOX-WDEREUQCSA-N	-1	0	319.365	0.699	20	30		DCEDRM
C[C@H](C(=O)N(CC(=O)[O-])c1cccc(F)c1)n1cnc(C#N)n1	ZINC001589342040	986261576	/nfs/dbraw/zinc/26/15/76/986261576.db2.gz	UBIBBSMSCFRDNB-SECBINFHSA-N	-1	0	317.280	0.968	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC[C@@H]1O	ZINC001594553544	986267136	/nfs/dbraw/zinc/26/71/36/986267136.db2.gz	BULCLWRSAVBAGZ-SKDRFNHKSA-N	-1	0	324.358	0.648	20	30		DCEDRM
C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001589444145	986793947	/nfs/dbraw/zinc/79/39/47/986793947.db2.gz	DPSKIKSPAYAWAD-KGYLQXTDSA-N	-1	0	317.345	0.653	20	30		DCEDRM
CC[C@H](C#N)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001594722129	987209423	/nfs/dbraw/zinc/20/94/23/987209423.db2.gz	JLYUPLKCYPQCDJ-LLVKDONJSA-N	-1	0	303.318	0.918	20	30		DCEDRM
C[C@@H](C(=O)OCc1cccc(C(=O)[O-])n1)n1cnc(C#N)n1	ZINC001589547968	987272976	/nfs/dbraw/zinc/27/29/76/987272976.db2.gz	VXJPFLFSDNTFIU-QMMMGPOBSA-N	-1	0	301.262	0.547	20	30		DCEDRM
CCc1ccc(C#CC(=O)NCCn2cc(C(=O)[O-])nn2)cc1	ZINC001597495591	988043724	/nfs/dbraw/zinc/04/37/24/988043724.db2.gz	XOQCGUPXVKGZPC-UHFFFAOYSA-N	-1	0	312.329	0.707	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)NCCOc2ccc(C#N)cc2)O[C@H]1C(=O)[O-]	ZINC001599875264	989409967	/nfs/dbraw/zinc/40/99/67/989409967.db2.gz	QWUHLJZGDHUKRL-LERXQTSPSA-N	-1	0	318.329	0.931	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001599879019	989458084	/nfs/dbraw/zinc/45/80/84/989458084.db2.gz	YEWRFGHESHKPJS-NXEZZACHSA-N	-1	0	315.333	0.992	20	30		DCEDRM
CN(C)[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cncn1C	ZINC001598163451	990670447	/nfs/dbraw/zinc/67/04/47/990670447.db2.gz	UEYUPLLPZKPGTI-LBPRGKRZSA-N	-1	0	319.365	0.240	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](CNC(=O)[C@H](C)C#N)CC(C)C)c1[O-]	ZINC001391400400	990805834	/nfs/dbraw/zinc/80/58/34/990805834.db2.gz	ROYCWFNWSAFGIO-MWLCHTKSSA-N	-1	0	321.381	0.844	20	30		DCEDRM
COc1ncc(NC(=O)NC[C@@]2(C(=O)[O-])CCOC2)cc1C#N	ZINC001599734965	991761124	/nfs/dbraw/zinc/76/11/24/991761124.db2.gz	YJPMCESKZJJNMN-AWEZNQCLSA-N	-1	0	320.305	0.575	20	30		DCEDRM
CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ncc(C#N)cc1F	ZINC001598480483	992141768	/nfs/dbraw/zinc/14/17/68/992141768.db2.gz	VMOJVRDJZVKKKQ-GHMZBOCLSA-N	-1	0	320.324	0.756	20	30		DCEDRM
CN(CCCNc1cnc(C#N)cn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001598483633	992187140	/nfs/dbraw/zinc/18/71/40/992187140.db2.gz	XDFOIIHOKOBEQF-QWRGUYRKSA-N	-1	0	303.322	0.329	20	30		DCEDRM
CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1ccc(C#N)[nH]1	ZINC001598496101	992363164	/nfs/dbraw/zinc/36/31/64/992363164.db2.gz	VVZZCSAYMYBZNX-UHFFFAOYSA-N	-1	0	314.305	0.559	20	30		DCEDRM
CC(C)c1nnc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001464388190	1015903317	/nfs/dbraw/zinc/90/33/17/1015903317.db2.gz	NFIVNEPSBHTDCV-UHFFFAOYSA-N	-1	0	320.334	0.434	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@@H]2CC=CCC2)c(=O)[n-]c1=O	ZINC001464531558	1015918398	/nfs/dbraw/zinc/91/83/98/1015918398.db2.gz	NZDOCNRJYCDSHL-LLVKDONJSA-N	-1	0	302.334	0.683	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CCCSCC#N	ZINC001598748636	995622031	/nfs/dbraw/zinc/62/20/31/995622031.db2.gz	BXZFUEKNSFZQPT-WDEREUQCSA-N	-1	0	300.380	0.971	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](NC(=O)[C@H](C)C#N)C2CC2)c1[O-]	ZINC001396985783	995725639	/nfs/dbraw/zinc/72/56/39/995725639.db2.gz	XZJWNGGQHQSDQI-XCBNKYQSSA-N	-1	0	305.338	0.208	20	30		DCEDRM
N#Cc1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)c(F)c1	ZINC001464930285	1015972420	/nfs/dbraw/zinc/97/24/20/1015972420.db2.gz	ZMYVCHWLJVHTOS-UHFFFAOYSA-N	-1	0	311.276	0.963	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)Cc2cccc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC001598805429	996181208	/nfs/dbraw/zinc/18/12/08/996181208.db2.gz	CDSGMCIPTPJCBU-OLZOCXBDSA-N	-1	0	316.313	0.433	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2C#N)C[C@H]1C(=O)[O-]	ZINC001598820804	996324107	/nfs/dbraw/zinc/32/41/07/996324107.db2.gz	IEXLCWLPFNUPDN-GHMZBOCLSA-N	-1	0	320.276	0.643	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)C1	ZINC001593783238	996493312	/nfs/dbraw/zinc/49/33/12/996493312.db2.gz	HRJHBCTZUXEJAJ-HNNXBMFYSA-N	-1	0	319.292	0.959	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)c1c(C)cc(F)cc1C#N)C(=O)[O-]	ZINC001599176829	996862665	/nfs/dbraw/zinc/86/26/65/996862665.db2.gz	DXGHLONDCQAXGS-SNVBAGLBSA-N	-1	0	316.310	0.384	20	30		DCEDRM
COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N[C@@H](C)CC#N)c1	ZINC001599487128	996870054	/nfs/dbraw/zinc/87/00/54/996870054.db2.gz	LZLCTJSAUNXOHN-QMMMGPOBSA-N	-1	0	305.290	0.750	20	30		DCEDRM
COCc1cc(NC(=O)C(=O)NC[C@H](C)C#N)cc(C(=O)[O-])c1	ZINC001599285029	996960546	/nfs/dbraw/zinc/96/05/46/996960546.db2.gz	SFNIYHIYDKVLLQ-SECBINFHSA-N	-1	0	319.317	0.746	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC(C)(C)C#N	ZINC001599194889	997197393	/nfs/dbraw/zinc/19/73/93/997197393.db2.gz	MLBZVXBSDSWUAA-GFCCVEGCSA-N	-1	0	304.368	0.432	20	30		DCEDRM
CON=CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1	ZINC001599320637	997574888	/nfs/dbraw/zinc/57/48/88/997574888.db2.gz	RMSGXEDDALGDPK-SNVBAGLBSA-N	-1	0	310.306	0.968	20	30		DCEDRM
CO[C@@H]1CCC[C@H]([C@@H](NS(=O)(=O)CCCC#N)C(=O)[O-])C1	ZINC001599112648	997596866	/nfs/dbraw/zinc/59/68/66/997596866.db2.gz	NGRJSQIBZIRXMN-QJPTWQEYSA-N	-1	0	318.395	0.868	20	30		DCEDRM
CCOC(=O)N1CC[C@@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001467266710	1016149743	/nfs/dbraw/zinc/14/97/43/1016149743.db2.gz	RLIVOYGTGNZWRV-LLVKDONJSA-N	-1	0	318.333	0.928	20	30		DCEDRM
COc1c(NC(=O)C(=O)NCC(C)(C)C#N)cccc1C(=O)[O-]	ZINC001599335533	997828479	/nfs/dbraw/zinc/82/84/79/997828479.db2.gz	BHVYLMMONWFHAT-UHFFFAOYSA-N	-1	0	319.317	0.998	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC001599233705	997909246	/nfs/dbraw/zinc/90/92/46/997909246.db2.gz	VKAUGKGZRUANDA-UHFFFAOYSA-N	-1	0	302.308	0.447	20	30		DCEDRM
COCCNC(=O)[C@H](C#N)C(=O)Cc1cccc(C(=O)[O-])c1	ZINC001599241400	998049095	/nfs/dbraw/zinc/04/90/95/998049095.db2.gz	FPANORYJLYMCEL-GFCCVEGCSA-N	-1	0	304.302	0.399	20	30		DCEDRM
COCC#CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])CC2	ZINC001599138845	998091729	/nfs/dbraw/zinc/09/17/29/998091729.db2.gz	QFUGPTPYJRYCNV-UONOGXRCSA-N	-1	0	320.389	0.281	20	30		DCEDRM
COc1ccc(CN(C)C(=O)CN(CC#N)CCC(=O)[O-])cc1	ZINC001599557138	998113891	/nfs/dbraw/zinc/11/38/91/998113891.db2.gz	RIDSAUOEAVDERK-UHFFFAOYSA-N	-1	0	319.361	0.954	20	30		DCEDRM
COC(=O)c1ccc(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(C#N)n1	ZINC001598982524	998670670	/nfs/dbraw/zinc/67/06/70/998670670.db2.gz	MHGVGCSOGSGNLQ-RKDXNWHRSA-N	-1	0	305.290	0.012	20	30		DCEDRM
CC1CC(C#N)(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)C1	ZINC001594200300	998772840	/nfs/dbraw/zinc/77/28/40/998772840.db2.gz	FDRONOLRHKZQTB-MOQPWLNLSA-N	-1	0	321.377	0.314	20	30		DCEDRM
C=CCOCC(=O)N1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@H]1C	ZINC001511287152	1016247207	/nfs/dbraw/zinc/24/72/07/1016247207.db2.gz	VLJUNMCJYHKLDG-MWLCHTKSSA-N	-1	0	322.365	0.346	20	30		DCEDRM
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C(=O)O1	ZINC001594265083	999025254	/nfs/dbraw/zinc/02/52/54/999025254.db2.gz	ZDTVVWSKWXYCPH-XCBNKYQSSA-N	-1	0	324.314	0.239	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c(=O)[n-]c1=O	ZINC001418535796	1000324203	/nfs/dbraw/zinc/32/42/03/1000324203.db2.gz	AMVVHYBMBVYZOV-WCFLWFBJSA-N	-1	0	316.361	0.763	20	30		DCEDRM
CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001470361885	1016425017	/nfs/dbraw/zinc/42/50/17/1016425017.db2.gz	ZRVFLSINSFSJHW-IAQYHMDHSA-N	-1	0	304.350	0.619	20	30		DCEDRM
Cc1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c(C)o1	ZINC001470361653	1016426038	/nfs/dbraw/zinc/42/60/38/1016426038.db2.gz	RYVHBGRAMHZJLC-UHFFFAOYSA-N	-1	0	302.290	0.460	20	30		DCEDRM
CCN(C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1)[C@H](C)C#N	ZINC001470471857	1016437792	/nfs/dbraw/zinc/43/77/92/1016437792.db2.gz	CVENQMKBYVLCSC-LLVKDONJSA-N	-1	0	314.349	0.947	20	30		DCEDRM
C[C@@H](O)C[C@@H]1CCCCCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421123286	1003345130	/nfs/dbraw/zinc/34/51/30/1003345130.db2.gz	RVWAJPVTTMAYDF-MNOVXSKESA-N	-1	0	306.366	0.465	20	30		DCEDRM
N#Cc1cccc(CC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1	ZINC001472252685	1016771042	/nfs/dbraw/zinc/77/10/42/1016771042.db2.gz	AJFAFYIDUMAJQK-CQSZACIVSA-N	-1	0	323.356	0.991	20	30		DCEDRM
C#CCOCCN(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC001472438158	1016805469	/nfs/dbraw/zinc/80/54/69/1016805469.db2.gz	MNCLOXGLRAQAGZ-UHFFFAOYSA-N	-1	0	316.317	0.466	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)n[n-]1	ZINC001472498343	1016812899	/nfs/dbraw/zinc/81/28/99/1016812899.db2.gz	NWUIYUWEWYCDDD-KJHLLKJSSA-N	-1	0	323.378	0.867	20	30		DCEDRM
COc1ccc(C)cc1NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001473047660	1016903689	/nfs/dbraw/zinc/90/36/89/1016903689.db2.gz	FPMIGLQKUBWDCB-UHFFFAOYSA-N	-1	0	314.301	0.364	20	30		DCEDRM
COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[C@@H](c2nn[nH]n2)C1	ZINC001473753261	1016964229	/nfs/dbraw/zinc/96/42/29/1016964229.db2.gz	VFIGPEZJTCNFEC-OLZOCXBDSA-N	-1	0	312.333	0.775	20	30		DCEDRM
N#CCCN(Cc1ccccn1)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001417639057	1005857921	/nfs/dbraw/zinc/85/79/21/1005857921.db2.gz	RUFMZDQQDCGWSO-UHFFFAOYSA-N	-1	0	302.294	0.027	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC2(C(F)(F)F)CC2)c(=O)[n-]c1=O	ZINC001417793265	1005892206	/nfs/dbraw/zinc/89/22/06/1005892206.db2.gz	KNNPCNFBYOYVKP-UHFFFAOYSA-N	-1	0	316.239	0.279	20	30		DCEDRM
C[C@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001453845472	1008758154	/nfs/dbraw/zinc/75/81/54/1008758154.db2.gz	SWMIEGKLMNNWOL-ZCFIWIBFSA-N	-1	0	304.228	0.135	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cc(F)cc(F)c2)c(=O)[n-]c1=O	ZINC001433594858	1008979813	/nfs/dbraw/zinc/97/98/13/1008979813.db2.gz	YYFUMXVBYFTOOC-UHFFFAOYSA-N	-1	0	306.228	0.737	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN[C@@H](c2cn[nH]c2)C1	ZINC001454518209	1009168973	/nfs/dbraw/zinc/16/89/73/1009168973.db2.gz	DMFVSXHUOKCPRF-GFCCVEGCSA-N	-1	0	312.333	0.477	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1	ZINC001454684359	1009264720	/nfs/dbraw/zinc/26/47/20/1009264720.db2.gz	WMPOXXPDUIJPTI-UHFFFAOYSA-N	-1	0	314.257	0.738	20	30		DCEDRM
N#C[C@@]1(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CCCOC1	ZINC001433907821	1009335043	/nfs/dbraw/zinc/33/50/43/1009335043.db2.gz	XYZCASWKSHAYCG-AWEZNQCLSA-N	-1	0	314.305	0.627	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@H]2CCCC2(F)F)c(=O)[n-]c1=O	ZINC001433988803	1009435355	/nfs/dbraw/zinc/43/53/55/1009435355.db2.gz	BDLOLMJWUOHWJJ-SECBINFHSA-N	-1	0	312.276	0.372	20	30		DCEDRM
COc1cc(C)ccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001442639148	1009559670	/nfs/dbraw/zinc/55/96/70/1009559670.db2.gz	SERIFOGVKVMXLG-UHFFFAOYSA-N	-1	0	314.301	0.776	20	30		DCEDRM
CC(C)C[C@@H](C(N)=O)N(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001422175828	1009607016	/nfs/dbraw/zinc/60/70/16/1009607016.db2.gz	PCNDDHDOQOVSDG-LBPRGKRZSA-N	-1	0	316.365	0.638	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C2	ZINC001434307937	1009742854	/nfs/dbraw/zinc/74/28/54/1009742854.db2.gz	HIMQHTVGZXSCPR-NSHDSACASA-N	-1	0	315.358	0.758	20	30		DCEDRM
CC(C)(CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)CC(F)F	ZINC001434327724	1009772388	/nfs/dbraw/zinc/77/23/88/1009772388.db2.gz	RMDCVSNWRLCIPP-UHFFFAOYSA-N	-1	0	314.292	0.618	20	30		DCEDRM
COC(=O)CC[C@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001434446003	1009965146	/nfs/dbraw/zinc/96/51/46/1009965146.db2.gz	JXTHUNFLOOPKBI-SNVBAGLBSA-N	-1	0	320.349	0.115	20	30		DCEDRM
COC(=O)C(F)(F)C[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC001434650194	1010156803	/nfs/dbraw/zinc/15/68/03/1010156803.db2.gz	BJORNAZFMCBOFV-UHFFFAOYSA-N	-1	0	318.301	0.786	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)C2(C#N)CCSCC2)n[n-]1	ZINC001457589382	1011760530	/nfs/dbraw/zinc/76/05/30/1011760530.db2.gz	IBPRCMOHGPTZMA-UHFFFAOYSA-N	-1	0	315.380	0.184	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2ccc(-c3nnco3)cc2)c(C#N)c1=O	ZINC001458056395	1012061505	/nfs/dbraw/zinc/06/15/05/1012061505.db2.gz	WJMRUJAJIKEOSW-UHFFFAOYSA-N	-1	0	311.257	0.788	20	30		DCEDRM
C#CCCCC(=O)N[C@]1(C)CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001536804098	1012228086	/nfs/dbraw/zinc/22/80/86/1012228086.db2.gz	VERSITDTUSLXRP-MRXNPFEDSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C#C[C@H](CO)NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-]	ZINC001556795646	1012230027	/nfs/dbraw/zinc/23/00/27/1012230027.db2.gz	FKIPAIHHSGVFMZ-LLVKDONJSA-N	-1	0	303.293	0.749	20	30		DCEDRM
C=C(C)C[C@H](CO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC001558111366	1012322284	/nfs/dbraw/zinc/32/22/84/1012322284.db2.gz	YQKITVRRSWCNSI-SECBINFHSA-N	-1	0	304.306	0.493	20	30		DCEDRM
Cc1ccc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c(O)c1	ZINC001538907633	1012428049	/nfs/dbraw/zinc/42/80/49/1012428049.db2.gz	TZKDTFMROYUWTF-UHFFFAOYSA-N	-1	0	314.301	0.863	20	30		DCEDRM
CCCC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001446063877	1012575718	/nfs/dbraw/zinc/57/57/18/1012575718.db2.gz	ZOKMECCPFZWRJH-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1C[C@H](CNCC#N)C1	ZINC001506905817	1017658136	/nfs/dbraw/zinc/65/81/36/1017658136.db2.gz	BVPJSCUKXWOMMQ-KYZUINATSA-N	-1	0	320.315	0.451	20	30		DCEDRM
C=CCOCCCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001479901553	1017950072	/nfs/dbraw/zinc/95/00/72/1017950072.db2.gz	LQEYABLRUAILHQ-LBPRGKRZSA-N	-1	0	323.397	0.574	20	30		DCEDRM
C#CCCN1CC(N(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	ZINC001499794950	1018080936	/nfs/dbraw/zinc/08/09/36/1018080936.db2.gz	HDOFGQHQGAMWAN-UHFFFAOYSA-N	-1	0	319.327	0.609	20	30		DCEDRM
C=CCCCC(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001501943706	1019577850	/nfs/dbraw/zinc/57/78/50/1019577850.db2.gz	XAOCROYPAGXHCC-AATRIKPKSA-N	-1	0	321.337	0.041	20	30		DCEDRM
Cc1cc(S(=O)(=O)N(CC#N)CCC(=O)[O-])ccc1C#N	ZINC001607703677	1170498026	/nfs/dbraw/zinc/49/80/26/1170498026.db2.gz	ZZJSSSJCTIVTAU-UHFFFAOYSA-N	-1	0	307.331	0.856	20	30		DCEDRM
COC[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)OC	ZINC000272669877	210075205	/nfs/dbraw/zinc/07/52/05/210075205.db2.gz	KFDYMUUMTFSDKC-VIFPVBQESA-N	-1	0	320.317	0.776	20	30		DCEDRM
C=CCCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000279945696	215259593	/nfs/dbraw/zinc/25/95/93/215259593.db2.gz	XLHAXVZGOJYSBA-UHFFFAOYSA-N	-1	0	310.335	0.681	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000263174795	238185631	/nfs/dbraw/zinc/18/56/31/238185631.db2.gz	JRSPLKXHARZKSS-MXWKQRLJSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C=CCN(Cc1ccccc1F)C(=O)C(=O)NCCC(=O)[O-]	ZINC000420603736	240048885	/nfs/dbraw/zinc/04/88/85/240048885.db2.gz	VSUZUPYDOPIERK-UHFFFAOYSA-N	-1	0	308.309	0.931	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1scnc1C(=O)OC	ZINC000275208319	212196700	/nfs/dbraw/zinc/19/67/00/212196700.db2.gz	BZCJGHQQVLQWMX-UHFFFAOYSA-N	-1	0	320.348	0.191	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NCCSCC(=O)[O-]	ZINC000275052043	212095739	/nfs/dbraw/zinc/09/57/39/212095739.db2.gz	SMLHJBOBCNWUJA-UHFFFAOYSA-N	-1	0	314.388	0.963	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1F	ZINC000569766497	291494915	/nfs/dbraw/zinc/49/49/15/291494915.db2.gz	PWTICXOTGKTDHZ-UHFFFAOYSA-N	-1	0	302.283	0.077	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000263474973	285000986	/nfs/dbraw/zinc/00/09/86/285000986.db2.gz	IYCKKLQEVRGVKX-CMPLNLGQSA-N	-1	0	303.384	0.509	20	30		DCEDRM
COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000340948027	253326051	/nfs/dbraw/zinc/32/60/51/253326051.db2.gz	HJDAGQIRURVFCW-UHFFFAOYSA-N	-1	0	310.291	0.322	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)o1	ZINC000340970351	253329644	/nfs/dbraw/zinc/32/96/44/253329644.db2.gz	VYYZWVDWYXFNDC-UHFFFAOYSA-N	-1	0	309.307	0.024	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(C(=O)OC)cc1	ZINC000493835568	533073388	/nfs/dbraw/zinc/07/33/88/533073388.db2.gz	JPFRUWLFSPSRJK-YFHOEESVSA-N	-1	0	321.354	0.956	20	30		DCEDRM
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)[C@@H]1C(=O)[O-]	ZINC000235344688	296397803	/nfs/dbraw/zinc/39/78/03/296397803.db2.gz	FKFOYRQBOVGQGB-SKDRFNHKSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000352856278	254433878	/nfs/dbraw/zinc/43/38/78/254433878.db2.gz	DBBXUQAQIWSQKB-UHFFFAOYSA-N	-1	0	321.318	0.654	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)c1ccc(C#N)s1)CC(=O)[O-]	ZINC000230327125	395880607	/nfs/dbraw/zinc/88/06/07/395880607.db2.gz	YYBIPXCYXOUCQS-ZETCQYMHSA-N	-1	0	304.349	0.388	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000274841920	395980827	/nfs/dbraw/zinc/98/08/27/395980827.db2.gz	PSJKKOAVBNXMMK-UHFFFAOYSA-N	-1	0	314.319	0.631	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000070430347	396101019	/nfs/dbraw/zinc/10/10/19/396101019.db2.gz	WEJFXPALOGNAJC-MNOVXSKESA-N	-1	0	310.331	0.075	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C	ZINC000594675947	396496902	/nfs/dbraw/zinc/49/69/02/396496902.db2.gz	WYQPLBKTUWZNHX-SNVBAGLBSA-N	-1	0	305.400	0.755	20	30		DCEDRM
N#Cc1ccc(CCNC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000594690368	396497461	/nfs/dbraw/zinc/49/74/61/396497461.db2.gz	HKMNWEFUGWLSTP-OAHLLOKOSA-N	-1	0	303.318	0.644	20	30		DCEDRM
CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C#N)o2)C1=O	ZINC000289120704	396455088	/nfs/dbraw/zinc/45/50/88/396455088.db2.gz	INKBVXWKANETJV-LLVKDONJSA-N	-1	0	312.307	0.065	20	30		DCEDRM
CN(C)c1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cn1	ZINC000291000445	396477216	/nfs/dbraw/zinc/47/72/16/396477216.db2.gz	VAFVUMNKIVDKSJ-UHFFFAOYSA-N	-1	0	306.351	0.554	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1)C(=O)[O-]	ZINC000594529469	396484310	/nfs/dbraw/zinc/48/43/10/396484310.db2.gz	JMGSFOQUVFOWNX-AAEUAGOBSA-N	-1	0	317.345	0.985	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000594539670	396485719	/nfs/dbraw/zinc/48/57/19/396485719.db2.gz	QXRLWONNCVVNTJ-JTQLQIEISA-N	-1	0	302.396	0.495	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000594572019	396487110	/nfs/dbraw/zinc/48/71/10/396487110.db2.gz	MDCHQDVVOHGBLS-TUAOUCFPSA-N	-1	0	317.411	0.898	20	30		DCEDRM
CO[C@@H](C[C@@H](NS(=O)(=O)CCCCC#N)C(=O)[O-])C1CC1	ZINC000594574314	396488152	/nfs/dbraw/zinc/48/81/52/396488152.db2.gz	XMBQBFGQCMSRMZ-NEPJUHHUSA-N	-1	0	318.395	0.868	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-]	ZINC000581946813	396595959	/nfs/dbraw/zinc/59/59/59/396595959.db2.gz	DDTGQCDKKHPAES-ONGXEEELSA-N	-1	0	315.351	0.344	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NCCc1cccc(C(=O)[O-])n1	ZINC000541002547	396610274	/nfs/dbraw/zinc/61/02/74/396610274.db2.gz	XTZIRBSDRXAGLO-UHFFFAOYSA-N	-1	0	312.351	0.002	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(N)=O)c1)C(=O)[O-]	ZINC000541003042	396610356	/nfs/dbraw/zinc/61/03/56/396610356.db2.gz	AUWTYYFUGKKFTJ-GFCCVEGCSA-N	-1	0	324.358	0.239	20	30		DCEDRM
CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C#N)o2)c[nH]1	ZINC000588945019	396700440	/nfs/dbraw/zinc/70/04/40/396700440.db2.gz	KIRDHXXEOISRKD-UHFFFAOYSA-N	-1	0	310.291	0.852	20	30		DCEDRM
Cn1cccc(N/C([O-])=N/C[C@H]2CCCCS2(=O)=O)c1=O	ZINC000329501605	396845859	/nfs/dbraw/zinc/84/58/59/396845859.db2.gz	GIIZQACWSAUBDI-SNVBAGLBSA-N	-1	0	313.379	0.679	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-][C@@H]2COCCC2=O)CCCCC1	ZINC000625493730	396895902	/nfs/dbraw/zinc/89/59/02/396895902.db2.gz	VUGYNJKZGOILRR-LLVKDONJSA-N	-1	0	300.380	0.738	20	30		DCEDRM
CO[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)[C@](C)(C(=O)[O-])C1	ZINC000600655846	396907349	/nfs/dbraw/zinc/90/73/49/396907349.db2.gz	ANBZPDDIIBZSKX-NHCYSSNCSA-N	-1	0	319.383	0.029	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-]	ZINC000600659689	396908648	/nfs/dbraw/zinc/90/86/48/396908648.db2.gz	PLCHOLUWDMHGHB-WDEREUQCSA-N	-1	0	303.384	0.700	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)N[C@H](C)c1cccc(C#N)c1)C(=O)[O-]	ZINC000591459143	396923931	/nfs/dbraw/zinc/92/39/31/396923931.db2.gz	NOCVVGUREGPRMK-GHMZBOCLSA-N	-1	0	317.345	0.915	20	30		DCEDRM
N#CC1(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CCOCC1	ZINC000597255191	396924020	/nfs/dbraw/zinc/92/40/20/396924020.db2.gz	SRDRSSNOJWKMKR-UHFFFAOYSA-N	-1	0	314.301	0.832	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1	ZINC000591569767	396930871	/nfs/dbraw/zinc/93/08/71/396930871.db2.gz	FGZZSWJZOAYLOK-ISTVAULSSA-N	-1	0	311.313	0.020	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C#N)CC[C@@H]1C(=O)[O-]	ZINC000600798034	396944122	/nfs/dbraw/zinc/94/41/22/396944122.db2.gz	PGLNWPQREWHICK-QWRGUYRKSA-N	-1	0	309.366	0.564	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1	ZINC000619461746	397135576	/nfs/dbraw/zinc/13/55/76/397135576.db2.gz	AHJALSAZYBXJOU-UHFFFAOYSA-N	-1	0	319.346	0.235	20	30		DCEDRM
CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1	ZINC000592427885	397173830	/nfs/dbraw/zinc/17/38/30/397173830.db2.gz	STXRLRLDKRKGPB-AWEZNQCLSA-N	-1	0	311.313	0.164	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000613252078	397228113	/nfs/dbraw/zinc/22/81/13/397228113.db2.gz	AHJMEZLIZXXAIU-JTQLQIEISA-N	-1	0	303.318	0.944	20	30		DCEDRM
C=CCn1cc(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)nn1	ZINC000626767608	397234681	/nfs/dbraw/zinc/23/46/81/397234681.db2.gz	AGWIVRGSOUAHKV-ZYHUDNBSSA-N	-1	0	307.354	0.716	20	30		DCEDRM
CC1(C)C[C@H]1NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000598967252	397316442	/nfs/dbraw/zinc/31/64/42/397316442.db2.gz	BXWNWLVSFORRLC-SNVBAGLBSA-N	-1	0	303.322	0.185	20	30		DCEDRM
CN(Cc1cccs1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602036935	397288607	/nfs/dbraw/zinc/28/86/07/397288607.db2.gz	OQOPIKXDQJLCKI-UHFFFAOYSA-N	-1	0	318.358	0.931	20	30		DCEDRM
CC(C)CN(CC(C)C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602101132	397300776	/nfs/dbraw/zinc/30/07/76/397300776.db2.gz	WBJWICUGJQZTCV-UHFFFAOYSA-N	-1	0	306.366	0.961	20	30		DCEDRM
C[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC000602108238	397303852	/nfs/dbraw/zinc/30/38/52/397303852.db2.gz	FWAZRXYAOSSVRH-MNOVXSKESA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC[C@H]3CCC[C@H]32)c(=O)[n-]c1=O	ZINC000602111911	397306085	/nfs/dbraw/zinc/30/60/85/397306085.db2.gz	WIIFHFUOYIREST-ZYHUDNBSSA-N	-1	0	302.334	0.612	20	30		DCEDRM
C[C@H](N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1(C)CC1	ZINC000602114698	397306899	/nfs/dbraw/zinc/30/68/99/397306899.db2.gz	XLUHOGTZZSISFX-JTQLQIEISA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCC3(CCC3)C2)c(=O)[n-]c1=O	ZINC000602120848	397308234	/nfs/dbraw/zinc/30/82/34/397308234.db2.gz	SAAVXSVIOOKTRU-UHFFFAOYSA-N	-1	0	302.334	0.613	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@@H](C3CCCC3)C2)c(=O)[n-]c1=O	ZINC000602170069	397331603	/nfs/dbraw/zinc/33/16/03/397331603.db2.gz	ZQSKNTWEBOIBNN-GFCCVEGCSA-N	-1	0	316.361	0.859	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000593269596	397346404	/nfs/dbraw/zinc/34/64/04/397346404.db2.gz	KHZOVOFBXFKIID-MNOVXSKESA-N	-1	0	303.384	0.652	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)C1CC1	ZINC000593271404	397346547	/nfs/dbraw/zinc/34/65/47/397346547.db2.gz	UCMSKBOIGMNVRJ-YWVKMMECSA-N	-1	0	303.384	0.412	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-]	ZINC000593273113	397347565	/nfs/dbraw/zinc/34/75/65/397347565.db2.gz	PNMMDMVYBAJQKP-PWSUYJOCSA-N	-1	0	317.411	0.803	20	30		DCEDRM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599323424	397406302	/nfs/dbraw/zinc/40/63/02/397406302.db2.gz	YPJOXJSESBYDBA-QMMMGPOBSA-N	-1	0	304.324	0.067	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)C(=O)[O-]	ZINC000578208059	397407173	/nfs/dbraw/zinc/40/71/73/397407173.db2.gz	QTYRHCZJVMUBHF-AGIUHOORSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cn(C)c(C(C)C)n1	ZINC000578611848	397458501	/nfs/dbraw/zinc/45/85/01/397458501.db2.gz	XTWXEYSANHMVAV-UHFFFAOYSA-N	-1	0	301.368	0.805	20	30		DCEDRM
COC(=O)N(C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000495644113	397551475	/nfs/dbraw/zinc/55/14/75/397551475.db2.gz	IHHXPTSNAPTQRB-UHFFFAOYSA-N	-1	0	317.367	0.215	20	30		DCEDRM
CC1(C)C[C@]1(C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599955589	397552323	/nfs/dbraw/zinc/55/23/23/397552323.db2.gz	QLBVBFYOPGKSDN-CYBMUJFWSA-N	-1	0	308.363	0.875	20	30		DCEDRM
CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000594463450	397557422	/nfs/dbraw/zinc/55/74/22/397557422.db2.gz	ZIYUHGNFJGIDKT-UHFFFAOYSA-N	-1	0	324.318	0.712	20	30		DCEDRM
COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cn1	ZINC000492731490	397524384	/nfs/dbraw/zinc/52/43/84/397524384.db2.gz	DOZGKODPZUWVOS-SNAWJCMRSA-N	-1	0	324.362	0.494	20	30		DCEDRM
N#CCOc1ccc(C=CC(=O)NC2(c3nnn[n-]3)CC2)cc1	ZINC000493111050	397525604	/nfs/dbraw/zinc/52/56/04/397525604.db2.gz	BFAXNSPNXPGUQE-UTCJRWHESA-N	-1	0	310.317	0.921	20	30		DCEDRM
CCOC(=O)NCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000495469065	397540296	/nfs/dbraw/zinc/54/02/96/397540296.db2.gz	ZNBMEKLJQBLIQJ-UHFFFAOYSA-N	-1	0	317.367	0.262	20	30		DCEDRM
N#C[C@@]1(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCSC1	ZINC000603886983	397625621	/nfs/dbraw/zinc/62/56/21/397625621.db2.gz	VWQAHRSIQFBBGQ-ZDUSSCGKSA-N	-1	0	317.330	0.565	20	30		DCEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(S(=O)(=O)NC)cc1	ZINC000610254537	397809927	/nfs/dbraw/zinc/80/99/27/397809927.db2.gz	HLMKQEUGGZYBSJ-SNVBAGLBSA-N	-1	0	317.392	0.639	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1Cl	ZINC000126047143	158262518	/nfs/dbraw/zinc/26/25/18/158262518.db2.gz	NBQOLWIQKVCSHJ-SNVBAGLBSA-N	-1	0	318.738	0.326	20	30		DCEDRM
Cc1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)ccc1C#N	ZINC000235885369	158632200	/nfs/dbraw/zinc/63/22/00/158632200.db2.gz	KZLVSUPYPDDWFN-CYBMUJFWSA-N	-1	0	310.331	0.389	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N[C@@]2(CC(=O)[O-])CCOC2)cc1	ZINC000263104351	158856235	/nfs/dbraw/zinc/85/62/35/158856235.db2.gz	WELQNWMBYAMIAX-OAHLLOKOSA-N	-1	0	304.302	0.687	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1	ZINC000317063014	159003909	/nfs/dbraw/zinc/00/39/09/159003909.db2.gz	MIHAFCLDHXNZEQ-CYBMUJFWSA-N	-1	0	324.358	0.564	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1C#N	ZINC000372260000	159610990	/nfs/dbraw/zinc/61/09/90/159610990.db2.gz	FIKBWWDAYWNENF-KOLCDFICSA-N	-1	0	310.331	0.075	20	30		DCEDRM
N#Cc1nc(NC(=O)CCn2cc([N+](=O)[O-])cn2)[n-]c1C#N	ZINC000066044677	286904482	/nfs/dbraw/zinc/90/44/82/286904482.db2.gz	RTCYVWKGNCEZDU-UHFFFAOYSA-N	-1	0	300.238	0.287	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-]	ZINC000274945568	415368001	/nfs/dbraw/zinc/36/80/01/415368001.db2.gz	RTIVRIZWYBYKGD-JTQLQIEISA-N	-1	0	301.368	0.847	20	30		DCEDRM
Cc1cc(C(=O)N(C)C[C@H](C)C#N)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000344207997	415866287	/nfs/dbraw/zinc/86/62/87/415866287.db2.gz	BBTTXKQRVSKKFV-SSDOTTSWSA-N	-1	0	301.306	0.976	20	30		DCEDRM
O=C(NCCN1C(=O)CCC1=O)c1s[n-]c(=O)c1Cl	ZINC000328792418	416131996	/nfs/dbraw/zinc/13/19/96/416131996.db2.gz	RIXONDGOQWRVNF-UHFFFAOYSA-N	-1	0	303.727	0.956	20	30		DCEDRM
CS(=O)(=O)N1CCC(NC(=O)N=c2cn[n-]s2)CC1	ZINC000330271610	416199592	/nfs/dbraw/zinc/19/95/92/416199592.db2.gz	WEDUICSETYLTTD-UHFFFAOYSA-N	-1	0	305.385	0.288	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000185039972	416252560	/nfs/dbraw/zinc/25/25/60/416252560.db2.gz	BSKDLZHTBGJCSE-UHFFFAOYSA-N	-1	0	313.281	0.920	20	30		DCEDRM
N#CCC1(O)CN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1	ZINC000352197558	416305129	/nfs/dbraw/zinc/30/51/29/416305129.db2.gz	UNYUTOHZEOZLBF-UHFFFAOYSA-N	-1	0	316.292	0.818	20	30		DCEDRM
CCS(=O)(=O)C[C@H](C)N(C)C([O-])=Nc1cccn(C)c1=O	ZINC000331252859	416295753	/nfs/dbraw/zinc/29/57/53/416295753.db2.gz	QTUADAOXSYULBB-JTQLQIEISA-N	-1	0	315.395	0.686	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000422655056	416445257	/nfs/dbraw/zinc/44/52/57/416445257.db2.gz	QFXVCPAZBZKWSG-NSHDSACASA-N	-1	0	301.302	0.738	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(COC)cc1)C(=O)[O-]	ZINC000541929214	416618727	/nfs/dbraw/zinc/61/87/27/416618727.db2.gz	NWGDFLTVXPIMER-ZDUSSCGKSA-N	-1	0	311.359	0.978	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)/C=C\c1ccccc1	ZINC000492322197	416635692	/nfs/dbraw/zinc/63/56/92/416635692.db2.gz	LBSBGARDBBTQOA-ZWLSGLHFSA-N	-1	0	322.386	0.837	20	30		DCEDRM
N#Cc1c(F)cccc1-n1ccc(NC(=O)c2n[nH]c(=O)[n-]2)n1	ZINC000543759504	416648710	/nfs/dbraw/zinc/64/87/10/416648710.db2.gz	HSBNLXXZMJEMST-UHFFFAOYSA-N	-1	0	313.252	0.959	20	30		DCEDRM
CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H](C)C#N	ZINC000571493658	417446312	/nfs/dbraw/zinc/44/63/12/417446312.db2.gz	HAFBQIFBAIVZKZ-YUMQZZPRSA-N	-1	0	316.301	0.950	20	30		DCEDRM
C=CCCn1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)nn1	ZINC000572753834	417463347	/nfs/dbraw/zinc/46/33/47/417463347.db2.gz	UNBWXBCBEQJOME-UHFFFAOYSA-N	-1	0	308.338	0.560	20	30		DCEDRM
CCC[C@@H](C#N)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000574015933	417479173	/nfs/dbraw/zinc/47/91/73/417479173.db2.gz	QVABIKSULCNPRE-ZETCQYMHSA-N	-1	0	303.365	0.900	20	30		DCEDRM
C=CCn1cc(CNC(=O)C[C@]2(C(=O)[O-])CCSC2)nn1	ZINC000644538304	417615974	/nfs/dbraw/zinc/61/59/74/417615974.db2.gz	QLOBDJYTRZLLEW-CYBMUJFWSA-N	-1	0	310.379	0.678	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000647589114	418028580	/nfs/dbraw/zinc/02/85/80/418028580.db2.gz	YBVHTNPOFMKVAV-RVMXOQNASA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000659665294	418140685	/nfs/dbraw/zinc/14/06/85/418140685.db2.gz	QCKARMABDGVCFM-VXGBXAGGSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C=CCN(C(=O)C(=O)NCC1(C(=O)[O-])CCC1)[C@@H](C)COC	ZINC000659671386	418140852	/nfs/dbraw/zinc/14/08/52/418140852.db2.gz	YWDAYQZWEFFHAJ-NSHDSACASA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000655989251	418312227	/nfs/dbraw/zinc/31/22/27/418312227.db2.gz	YMJOCTTXEVXQSU-LLVKDONJSA-N	-1	0	320.345	0.705	20	30		DCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000491439661	267379397	/nfs/dbraw/zinc/37/93/97/267379397.db2.gz	IEHGNJXNPYQLQE-UHFFFAOYSA-N	-1	0	311.319	0.028	20	30		DCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cccc2c1OCCO2	ZINC000438231242	268131202	/nfs/dbraw/zinc/13/12/02/268131202.db2.gz	AEDCCXXKSQRQRS-UHFFFAOYSA-N	-1	0	320.330	0.864	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCc2cc(C(=O)[O-])co2)cn1	ZINC000525958498	268257368	/nfs/dbraw/zinc/25/73/68/268257368.db2.gz	UUOCUPVQHPSKGL-UHFFFAOYSA-N	-1	0	307.287	0.723	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)/C=C/c2cscn2)c1	ZINC000493454893	272189616	/nfs/dbraw/zinc/18/96/16/272189616.db2.gz	NCQGSBNCRXARNV-OWOJBTEDSA-N	-1	0	320.355	0.928	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C/c1ccc(C#N)cc1	ZINC000493634940	272200918	/nfs/dbraw/zinc/20/09/18/272200918.db2.gz	UGAOFKLIPSSPQP-VOTSOKGWSA-N	-1	0	321.358	0.154	20	30		DCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cc1F	ZINC000548233848	288123455	/nfs/dbraw/zinc/12/34/55/288123455.db2.gz	BIAJXUDFFGAIKR-SNVBAGLBSA-N	-1	0	316.310	0.417	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])c(F)c1	ZINC000564851465	288777491	/nfs/dbraw/zinc/77/74/91/288777491.db2.gz	DVOSVIWVTYIESH-SECBINFHSA-N	-1	0	316.335	0.846	20	30		DCEDRM
CCOC[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000565055960	288812407	/nfs/dbraw/zinc/81/24/07/288812407.db2.gz	SISXHTHWMFMLAF-LBPRGKRZSA-N	-1	0	312.347	0.467	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cc1	ZINC000129490133	303197855	/nfs/dbraw/zinc/19/78/55/303197855.db2.gz	KDBLIUHOXNITRP-LLVKDONJSA-N	-1	0	310.331	0.422	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1	ZINC000290755421	303214150	/nfs/dbraw/zinc/21/41/50/303214150.db2.gz	YSXADMMJEBPTLJ-WCFLWFBJSA-N	-1	0	321.358	0.827	20	30		DCEDRM
CCCSC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000569609671	332201036	/nfs/dbraw/zinc/20/10/36/332201036.db2.gz	XAVMNEZZOIPISH-ZJUUUORDSA-N	-1	0	323.440	0.651	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCCCCCC(=O)[O-]	ZINC000417428171	334875253	/nfs/dbraw/zinc/87/52/53/334875253.db2.gz	KIQMBNVBYDOUNB-LLVKDONJSA-N	-1	0	305.400	0.947	20	30		DCEDRM
CC1CC(C#N)(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)C1	ZINC000532319544	336239577	/nfs/dbraw/zinc/23/95/77/336239577.db2.gz	AAYFOEPHBKTOKK-UHFFFAOYSA-N	-1	0	315.380	0.788	20	30		DCEDRM
COC(=O)[C@@H](CCn1c(=O)[n-]cc(C#N)c1=O)c1ccccc1	ZINC000582605492	337112815	/nfs/dbraw/zinc/11/28/15/337112815.db2.gz	BBIVRYPCDUHORT-ZDUSSCGKSA-N	-1	0	313.313	0.755	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1	ZINC000571926843	337582115	/nfs/dbraw/zinc/58/21/15/337582115.db2.gz	HAASTDFOOVBYJQ-STQMWFEESA-N	-1	0	313.375	0.539	20	30		DCEDRM
C=CCCc1ccccc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000422679205	337683347	/nfs/dbraw/zinc/68/33/47/337683347.db2.gz	SFVOXSHWXOSPSH-INIZCTEOSA-N	-1	0	320.345	0.696	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCC2(CC#N)CC2)C1	ZINC000422706925	337683602	/nfs/dbraw/zinc/68/36/02/337683602.db2.gz	VFHFOOQFLZAYNS-GHMZBOCLSA-N	-1	0	307.350	0.366	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1	ZINC000424513440	337845353	/nfs/dbraw/zinc/84/53/53/337845353.db2.gz	XJIOYXQTGFHOKB-WRWGMCAJSA-N	-1	0	307.350	0.364	20	30		DCEDRM
COc1cncc(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000492915143	339912359	/nfs/dbraw/zinc/91/23/59/339912359.db2.gz	VGRMSPGHPSRURW-IHWYPQMZSA-N	-1	0	321.358	0.853	20	30		DCEDRM
COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C(C)C	ZINC000494709377	339958276	/nfs/dbraw/zinc/95/82/76/339958276.db2.gz	GHOIILOCWZJXQO-VIFPVBQESA-N	-1	0	305.356	0.117	20	30		DCEDRM
C[C@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1	ZINC000547917839	341239251	/nfs/dbraw/zinc/23/92/51/341239251.db2.gz	YAJFLBVPWXCRJI-VXGBXAGGSA-N	-1	0	317.411	0.899	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000548533967	341265892	/nfs/dbraw/zinc/26/58/92/341265892.db2.gz	QAHASXBGBVPOKP-CYBMUJFWSA-N	-1	0	323.374	0.588	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1cc(C(=O)[O-])co1	ZINC000566312446	341553727	/nfs/dbraw/zinc/55/37/27/341553727.db2.gz	ROMUJVSCRYNNHA-VIFPVBQESA-N	-1	0	315.351	0.794	20	30		DCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N(CCC#N)CCOC	ZINC000566311308	341553822	/nfs/dbraw/zinc/55/38/22/341553822.db2.gz	FZJXLFJMDKRSLX-LLVKDONJSA-N	-1	0	319.383	0.102	20	30		DCEDRM
C#CCOCCNC(=O)Nc1nnc(CCCC(=O)[O-])s1	ZINC001602728583	1159785151	/nfs/dbraw/zinc/78/51/51/1159785151.db2.gz	WTLKBVZMCNJUNJ-UHFFFAOYSA-N	-1	0	312.351	0.717	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)OC	ZINC000360723754	526790042	/nfs/dbraw/zinc/79/00/42/526790042.db2.gz	WHXMHSQSKPBANX-GFCCVEGCSA-N	-1	0	324.289	0.774	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)C(=O)[O-]	ZINC000262979472	526791550	/nfs/dbraw/zinc/79/15/50/526791550.db2.gz	KNVOPXANLLFROT-LLVKDONJSA-N	-1	0	319.317	0.252	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCCN1C(=O)CC)C(=O)[O-]	ZINC000262859197	526806853	/nfs/dbraw/zinc/80/68/53/526806853.db2.gz	AOAZKHRBMGOSON-NWDGAFQWSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)OC	ZINC000360737855	526808784	/nfs/dbraw/zinc/80/87/84/526808784.db2.gz	NNUCVZTXEKLGFX-JTQLQIEISA-N	-1	0	324.289	0.774	20	30		DCEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)CC(=O)[O-])c1	ZINC000263167123	527058947	/nfs/dbraw/zinc/05/89/47/527058947.db2.gz	QGORUZKIKWSBAX-SNVBAGLBSA-N	-1	0	324.358	0.191	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1	ZINC000291250512	527070072	/nfs/dbraw/zinc/07/00/72/527070072.db2.gz	LZQRJFNCVMXEEG-CQSZACIVSA-N	-1	0	304.302	0.878	20	30		DCEDRM
C=CCN(C(=O)c1cc(C(=O)[O-])co1)[C@H]1CCS(=O)(=O)C1	ZINC000262371037	527547745	/nfs/dbraw/zinc/54/77/45/527547745.db2.gz	LSTQIPNXEINLJW-JTQLQIEISA-N	-1	0	313.331	0.793	20	30		DCEDRM
C=CCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@@H]1CCS(=O)(=O)C1	ZINC000262242346	527549981	/nfs/dbraw/zinc/54/99/81/527549981.db2.gz	BRJYEBSHNTWNOQ-LLVKDONJSA-N	-1	0	324.358	0.595	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnc2onc(C)c2c1	ZINC000681586786	548268128	/nfs/dbraw/zinc/26/81/28/548268128.db2.gz	GXGWWCMMWSRDHC-UHFFFAOYSA-N	-1	0	311.319	0.793	20	30		DCEDRM
N#Cc1nc(NC(=O)c2c[nH]c3ncccc23)[n-]c1-c1nn[nH]n1	ZINC000737705854	599055607	/nfs/dbraw/zinc/05/56/07/599055607.db2.gz	RFAIBWFCWAZZIZ-UHFFFAOYSA-N	-1	0	320.276	0.590	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)NCCC(=O)[O-])CC2)c1	ZINC000819111155	597225633	/nfs/dbraw/zinc/22/56/33/597225633.db2.gz	MWXHINSEFAZTRW-UHFFFAOYSA-N	-1	0	303.322	0.260	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000821329904	597458137	/nfs/dbraw/zinc/45/81/37/597458137.db2.gz	OASNWYIBMVIUOS-CYBMUJFWSA-N	-1	0	315.329	0.754	20	30		DCEDRM
Cc1nc([C@@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2)no1	ZINC000821165529	597611136	/nfs/dbraw/zinc/61/11/36/597611136.db2.gz	RFURTMIUTBICEQ-TVQRCGJNSA-N	-1	0	308.294	0.283	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC1(CS(C)(=O)=O)CC1	ZINC000819866783	597615500	/nfs/dbraw/zinc/61/55/00/597615500.db2.gz	ZVOCCLXWBJQBHT-LLVKDONJSA-N	-1	0	303.336	0.359	20	30		DCEDRM
CC(C)(C)NC(=O)NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819908458	597617141	/nfs/dbraw/zinc/61/71/41/597617141.db2.gz	DSPTYAWQQNLTAF-CYBMUJFWSA-N	-1	0	313.310	0.158	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)N1CCOC[C@H]1C1CC1	ZINC000819864738	597622970	/nfs/dbraw/zinc/62/29/70/597622970.db2.gz	CUSAXSTXXBWXSK-NHYWBVRUSA-N	-1	0	324.333	0.172	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)N1CCOC[C@@H]1C1CC1	ZINC000819864737	597623004	/nfs/dbraw/zinc/62/30/04/597623004.db2.gz	CUSAXSTXXBWXSK-IAQYHMDHSA-N	-1	0	324.333	0.172	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2nccs2)CC1	ZINC000819821509	597629441	/nfs/dbraw/zinc/62/94/41/597629441.db2.gz	HWDLCTVXIVTTDY-ZDUSSCGKSA-N	-1	0	308.363	0.796	20	30		DCEDRM
CCN(CC)C(=O)N1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820338635	597633400	/nfs/dbraw/zinc/63/34/00/597633400.db2.gz	IBCOHWNGHVZCMQ-HNNXBMFYSA-N	-1	0	324.381	0.597	20	30		DCEDRM
COc1ccccc1[C@@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820876344	597635560	/nfs/dbraw/zinc/63/55/60/597635560.db2.gz	GCCPNOKWUUXDQV-NHYWBVRUSA-N	-1	0	306.318	0.849	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](N2CCCC2=O)C1	ZINC000819811193	597646234	/nfs/dbraw/zinc/64/62/34/597646234.db2.gz	LMGZKDGLMCMOMR-NHYWBVRUSA-N	-1	0	307.350	0.604	20	30		DCEDRM
Cc1cnn(C[C@@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2)c1	ZINC000821147056	597647763	/nfs/dbraw/zinc/64/77/63/597647763.db2.gz	UODPJVSWAQQAMU-SWLSCSKDSA-N	-1	0	320.349	0.424	20	30		DCEDRM
CCc1nc2n(n1)C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000820498577	597647765	/nfs/dbraw/zinc/64/77/65/597647765.db2.gz	QJHSMVJKKRXATF-YMTOWFKASA-N	-1	0	305.338	0.276	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCN1C[C@H](C)O	ZINC000820296918	597663524	/nfs/dbraw/zinc/66/35/24/597663524.db2.gz	FSWZNAKYCRENMT-ZOWXZIJZSA-N	-1	0	311.382	0.295	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)cc1	ZINC000822693793	607323710	/nfs/dbraw/zinc/32/37/10/607323710.db2.gz	KGNOAEFAFRGFTR-NSHDSACASA-N	-1	0	321.300	0.806	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(NC(=O)C2CC2)CC1	ZINC000819810632	598224003	/nfs/dbraw/zinc/22/40/03/598224003.db2.gz	DNJAEFABEIHQOO-HNNXBMFYSA-N	-1	0	307.350	0.508	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1cccc(C(N)=O)c1	ZINC000819842128	598226273	/nfs/dbraw/zinc/22/62/73/598226273.db2.gz	JRDMTABICUISQI-HNNXBMFYSA-N	-1	0	303.318	0.449	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cnn(-c2ncccn2)c1	ZINC000819856862	598228099	/nfs/dbraw/zinc/22/80/99/598228099.db2.gz	OMFURDFEXBCOFB-ZDUSSCGKSA-N	-1	0	300.278	0.605	20	30		DCEDRM
CN(C(=O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C1CCCCC1	ZINC000820517984	598229575	/nfs/dbraw/zinc/22/95/75/598229575.db2.gz	YKBXGYWSWYRAGI-OAHLLOKOSA-N	-1	0	309.366	0.898	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)CCNC(=O)[O-])CC2)c1	ZINC000739142332	599743642	/nfs/dbraw/zinc/74/36/42/599743642.db2.gz	KPEUZEAZRQPLEC-UHFFFAOYSA-N	-1	0	303.322	0.260	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccccc1C#N	ZINC000737605118	599750857	/nfs/dbraw/zinc/75/08/57/599750857.db2.gz	OHPWRIDYJNNVLV-JTQLQIEISA-N	-1	0	320.301	0.412	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1F	ZINC000739098281	599888641	/nfs/dbraw/zinc/88/86/41/599888641.db2.gz	BGBNPUMLXSTDDK-MRVPVSSYSA-N	-1	0	305.265	0.569	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO1	ZINC000738422464	599954000	/nfs/dbraw/zinc/95/40/00/599954000.db2.gz	KGLWGBNJRLXTAO-LLVKDONJSA-N	-1	0	305.246	0.658	20	30		DCEDRM
Cc1oc(NC(=O)[C@@H](C)N2CCO[C@@H](C(=O)[O-])C2)c(C#N)c1C	ZINC000738388965	599971047	/nfs/dbraw/zinc/97/10/47/599971047.db2.gz	RWSJISOOTUTROB-BXKDBHETSA-N	-1	0	321.333	0.881	20	30		DCEDRM
Cc1oc(NC(=O)[C@H](C)N2CCO[C@H](C(=O)[O-])C2)c(C#N)c1C	ZINC000738388968	599971257	/nfs/dbraw/zinc/97/12/57/599971257.db2.gz	RWSJISOOTUTROB-CABZTGNLSA-N	-1	0	321.333	0.881	20	30		DCEDRM
COc1ccc(CNC(=O)N2CCO[C@@H](C#N)C2)cc1C(=O)[O-]	ZINC000738002739	599996139	/nfs/dbraw/zinc/99/61/39/599996139.db2.gz	XYTMZHORKMDFGN-NSHDSACASA-N	-1	0	319.317	0.827	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)CCc1ccc(C#N)cc1	ZINC000737603643	600008679	/nfs/dbraw/zinc/00/86/79/600008679.db2.gz	KVNCFJJOJPUIFR-UHFFFAOYSA-N	-1	0	304.302	0.577	20	30		DCEDRM
N#Cc1ccc(N2CCC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nc1	ZINC000739122228	600092274	/nfs/dbraw/zinc/09/22/74/600092274.db2.gz	BTZPGTCFMDDMKF-QWHCGFSZSA-N	-1	0	314.345	0.759	20	30		DCEDRM
N#CCc1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000739091090	600174301	/nfs/dbraw/zinc/17/43/01/600174301.db2.gz	FNNHXLGOSYCZIC-NWDGAFQWSA-N	-1	0	302.286	0.955	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000737078447	600208173	/nfs/dbraw/zinc/20/81/73/600208173.db2.gz	MEDJTTMVCSZRAH-PWSUYJOCSA-N	-1	0	313.354	0.830	20	30		DCEDRM
N#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000739075889	600342578	/nfs/dbraw/zinc/34/25/78/600342578.db2.gz	PEXXVEJKTCFVLD-UHFFFAOYSA-N	-1	0	315.257	0.701	20	30		DCEDRM
C#CCNC(=O)[C@H](C)SCc1noc(CCCC(=O)[O-])n1	ZINC000736080737	600353443	/nfs/dbraw/zinc/35/34/43/600353443.db2.gz	XGSGUAUDVHMGDS-VIFPVBQESA-N	-1	0	311.363	0.848	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCN1C(=O)CCc2ccccc21	ZINC000739077360	600403849	/nfs/dbraw/zinc/40/38/49/600403849.db2.gz	MRIMIQCNLNIVIF-UHFFFAOYSA-N	-1	0	315.329	0.793	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)Cn1cccc(C(F)(F)F)c1=O	ZINC000739078299	600408240	/nfs/dbraw/zinc/40/82/40/600408240.db2.gz	DPWWLXDPIPDIDP-UHFFFAOYSA-N	-1	0	317.223	0.304	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000736701480	600536049	/nfs/dbraw/zinc/53/60/49/600536049.db2.gz	VTDFGEMMPBSQAQ-MRVPVSSYSA-N	-1	0	315.289	0.709	20	30		DCEDRM
COCC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000737736524	600564951	/nfs/dbraw/zinc/56/49/51/600564951.db2.gz	WXXVOWLISNGJKG-OAHLLOKOSA-N	-1	0	317.345	0.475	20	30		DCEDRM
CN(CC(=O)N1CCOCC1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737388222	600571382	/nfs/dbraw/zinc/57/13/82/600571382.db2.gz	FKVJHISMWBKRIU-OAHLLOKOSA-N	-1	0	317.345	0.475	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)CNc1ccc(C#N)cc1	ZINC000737785753	600633274	/nfs/dbraw/zinc/63/32/74/600633274.db2.gz	FXIDGZMJSGPEJN-UHFFFAOYSA-N	-1	0	305.334	0.920	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000736087130	600656805	/nfs/dbraw/zinc/65/68/05/600656805.db2.gz	CEJUIPBGPGIKEQ-UHFFFAOYSA-N	-1	0	324.333	0.945	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)[O-])c(O)c1	ZINC000825618478	600729565	/nfs/dbraw/zinc/72/95/65/600729565.db2.gz	CHMCYDGXXFOKIM-QMMMGPOBSA-N	-1	0	306.274	0.777	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CCO1	ZINC000833061704	600741343	/nfs/dbraw/zinc/74/13/43/600741343.db2.gz	FWSQLOGLBQLVQT-NSHDSACASA-N	-1	0	310.331	0.439	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000739085282	600764006	/nfs/dbraw/zinc/76/40/06/600764006.db2.gz	DQFKZTYOKFLXIZ-UHFFFAOYSA-N	-1	0	317.254	0.333	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000825618887	600916883	/nfs/dbraw/zinc/91/68/83/600916883.db2.gz	GUXLUSHSZXRMJT-KGLIPLIRSA-N	-1	0	320.389	0.865	20	30		DCEDRM
N#CCN(CCCN1C(=O)c2ccccc2C1=O)CC(=O)[O-]	ZINC000833067164	601005386	/nfs/dbraw/zinc/00/53/86/601005386.db2.gz	RCYCKVVCBCZOGW-UHFFFAOYSA-N	-1	0	301.302	0.583	20	30		DCEDRM
CN(CC(=O)[O-])C(=O)CCN(CCC#N)Cc1ccccn1	ZINC000830691965	601040980	/nfs/dbraw/zinc/04/09/80/601040980.db2.gz	HDQHDKNVJVHQSK-UHFFFAOYSA-N	-1	0	304.350	0.730	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)CCO1	ZINC000316014602	601238330	/nfs/dbraw/zinc/23/83/30/601238330.db2.gz	BEFMRACEIJDQSL-MJRJWQSSSA-N	-1	0	322.342	0.697	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cc1	ZINC000740317914	601341153	/nfs/dbraw/zinc/34/11/53/601341153.db2.gz	UBOZJFIBYOJEIS-UHFFFAOYSA-N	-1	0	301.302	0.820	20	30		DCEDRM
C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)S(C)(=O)=O	ZINC000826061168	601349123	/nfs/dbraw/zinc/34/91/23/601349123.db2.gz	CFEGPOXWLXRSFG-GZMMTYOYSA-N	-1	0	311.315	0.660	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)c2cc(C(N)=O)c[nH]2)C(=O)[O-])c1	ZINC000833077221	601356104	/nfs/dbraw/zinc/35/61/04/601356104.db2.gz	NLLOKHYXAJPLIR-LBPRGKRZSA-N	-1	0	313.269	0.968	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000831084455	601573260	/nfs/dbraw/zinc/57/32/60/601573260.db2.gz	LFEJTPQGGNEHAB-DZGCQCFKSA-N	-1	0	318.329	0.948	20	30		DCEDRM
N#CCN1CCC(CNC(=O)c2ccc(C(=O)[O-])nc2)CC1	ZINC000833066907	601677032	/nfs/dbraw/zinc/67/70/32/601677032.db2.gz	KYUFKGWMMBEPOV-UHFFFAOYSA-N	-1	0	302.334	0.745	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N[C@@H](C(=O)[O-])C2CC2)cc1	ZINC000833072772	601757974	/nfs/dbraw/zinc/75/79/74/601757974.db2.gz	YWIYRRCIIXCQEI-CYBMUJFWSA-N	-1	0	301.302	0.267	20	30		DCEDRM
CN(CC#N)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O	ZINC000830661264	601877038	/nfs/dbraw/zinc/87/70/38/601877038.db2.gz	XLOFKKYADCANPL-UHFFFAOYSA-N	-1	0	302.290	0.566	20	30		DCEDRM
C#CCOCCOC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC000825625430	601900413	/nfs/dbraw/zinc/90/04/13/601900413.db2.gz	AWGFVAZRINIFDX-UHFFFAOYSA-N	-1	0	307.302	0.959	20	30		DCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)CCCCC#N	ZINC000827021716	602230050	/nfs/dbraw/zinc/23/00/50/602230050.db2.gz	IBOGOLRREMDMIJ-LLVKDONJSA-N	-1	0	306.384	0.820	20	30		DCEDRM
C#CCN(C(=O)CCCN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000736077688	602462814	/nfs/dbraw/zinc/46/28/14/602462814.db2.gz	VTSISLQPUQMTKT-NSHDSACASA-N	-1	0	316.379	0.025	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cnn3c2CCCC3)[n-]c1-c1nn[nH]n1	ZINC000826382795	607570049	/nfs/dbraw/zinc/57/00/49/607570049.db2.gz	VJKMTGPDCBGPRX-UHFFFAOYSA-N	-1	0	324.308	0.247	20	30		DCEDRM
N#C[C@H]1CN(C(=O)CN(CC2CC2)C(=O)[O-])CCN1C1CC1	ZINC000831075810	602919579	/nfs/dbraw/zinc/91/95/79/602919579.db2.gz	DCQLAERRGDZZMD-ZDUSSCGKSA-N	-1	0	306.366	0.575	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)CCNC(=O)[O-])CCN1Cc1ccccc1	ZINC000738422105	603104218	/nfs/dbraw/zinc/10/42/18/603104218.db2.gz	HOOSAYRAEIUWQZ-CQSZACIVSA-N	-1	0	316.361	0.881	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)[O-]	ZINC000826074983	603122011	/nfs/dbraw/zinc/12/20/11/603122011.db2.gz	SPBOSPVPMLOSSX-SNVBAGLBSA-N	-1	0	309.347	0.931	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c1N	ZINC000831161900	603436196	/nfs/dbraw/zinc/43/61/96/603436196.db2.gz	PMMVEOUPGSDMKH-GXSJLCMTSA-N	-1	0	321.337	0.707	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000831156609	603518715	/nfs/dbraw/zinc/51/87/15/603518715.db2.gz	DVCJFWITNFJSSX-ZYHUDNBSSA-N	-1	0	317.349	0.918	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O	ZINC000831156764	603612318	/nfs/dbraw/zinc/61/23/18/603612318.db2.gz	JZJFUGOOKQVJIU-CYBMUJFWSA-N	-1	0	318.285	0.802	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CCN1C1CC1	ZINC000831075842	603613454	/nfs/dbraw/zinc/61/34/54/603613454.db2.gz	DFGXSPRYFLTNQA-DMDPSCGWSA-N	-1	0	306.366	0.621	20	30		DCEDRM
N#CCN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)[O-])CC1	ZINC000831102229	603627041	/nfs/dbraw/zinc/62/70/41/603627041.db2.gz	CVEKQCAVQLXAPY-MCIONIFRSA-N	-1	0	320.393	0.965	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN1CCC[C@@H](C)[C@H]1CNC(=O)[O-]	ZINC000823511168	603719966	/nfs/dbraw/zinc/71/99/66/603719966.db2.gz	QKSSIRCERWCCRU-GHMZBOCLSA-N	-1	0	312.370	0.366	20	30		DCEDRM
C[C@H](OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000825545204	603792367	/nfs/dbraw/zinc/79/23/67/603792367.db2.gz	QSPYWUWOJIAXJA-TVQRCGJNSA-N	-1	0	315.301	0.382	20	30		DCEDRM
C[C@@H](OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000825545192	603792424	/nfs/dbraw/zinc/79/24/24/603792424.db2.gz	QSPYWUWOJIAXJA-NOZJJQNGSA-N	-1	0	315.301	0.382	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000823467471	603800534	/nfs/dbraw/zinc/80/05/34/603800534.db2.gz	XFMJJCYGFQSBAK-STQMWFEESA-N	-1	0	318.329	0.428	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCN(C(=O)[O-])CC1(C)C	ZINC000828274118	603894225	/nfs/dbraw/zinc/89/42/25/603894225.db2.gz	RWXZSLQFBMUHQP-UHFFFAOYSA-N	-1	0	304.372	0.151	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)CC1CCN(C(=O)[O-])CC1	ZINC000831097233	603914055	/nfs/dbraw/zinc/91/40/55/603914055.db2.gz	GBCGIMIQBKGXCP-UHFFFAOYSA-N	-1	0	324.425	0.924	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)COC1CN(C(=O)[O-])C1	ZINC000828365681	603975515	/nfs/dbraw/zinc/97/55/15/603975515.db2.gz	CBARSOPBIWPAAA-UHFFFAOYSA-N	-1	0	303.318	0.895	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823510593	603985248	/nfs/dbraw/zinc/98/52/48/603985248.db2.gz	DAMUNKGSFGMKJG-MNOVXSKESA-N	-1	0	310.354	0.215	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)COC2CN(C(=O)[O-])C2)cc1	ZINC000831102183	603998127	/nfs/dbraw/zinc/99/81/27/603998127.db2.gz	BLIAHIWEKQUODI-UHFFFAOYSA-N	-1	0	319.317	0.584	20	30		DCEDRM
C[C@@]1(C(=O)NC[C@H]2CCCN(CC#N)C2)CCN(C(=O)[O-])C1	ZINC000825662780	604064828	/nfs/dbraw/zinc/06/48/28/604064828.db2.gz	HTPISSPFYUMERP-IUODEOHRSA-N	-1	0	308.382	0.728	20	30		DCEDRM
C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825093462	604068521	/nfs/dbraw/zinc/06/85/21/604068521.db2.gz	NJUWLCDATUUARL-PWSUYJOCSA-N	-1	0	322.365	0.396	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cn1cnc2ccccc21	ZINC000831086590	604073717	/nfs/dbraw/zinc/07/37/17/604073717.db2.gz	FTBIPWXGSJCRFV-NSHDSACASA-N	-1	0	313.317	0.751	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000831087802	604076672	/nfs/dbraw/zinc/07/66/72/604076672.db2.gz	QODIKZOHPOTKDG-VIFPVBQESA-N	-1	0	316.273	0.861	20	30		DCEDRM
C[C@@H](OC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000825535774	604112926	/nfs/dbraw/zinc/11/29/26/604112926.db2.gz	NQHIMQUOPFFMDP-YGRLFVJLSA-N	-1	0	311.338	0.680	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccccc1[N+](=O)[O-]	ZINC000831091303	604129361	/nfs/dbraw/zinc/12/93/61/604129361.db2.gz	BANLLDDDEMFSSY-VIFPVBQESA-N	-1	0	304.262	0.923	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)NCCCN(C(=O)[O-])C2CC2)n1	ZINC000830985786	604155537	/nfs/dbraw/zinc/15/55/37/604155537.db2.gz	XAGILJORTFLECV-UHFFFAOYSA-N	-1	0	306.326	0.946	20	30		DCEDRM
CN(C(=O)[O-])[C@@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C1	ZINC000827895684	604233480	/nfs/dbraw/zinc/23/34/80/604233480.db2.gz	PXBPJYXONPUYJA-LLVKDONJSA-N	-1	0	309.347	0.931	20	30		DCEDRM
Cn1nc2c(c1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N)CCCC2	ZINC000831049868	604275611	/nfs/dbraw/zinc/27/56/11/604275611.db2.gz	BNRDYIDUNHOWBA-JTQLQIEISA-N	-1	0	317.349	0.627	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000823510722	604385236	/nfs/dbraw/zinc/38/52/36/604385236.db2.gz	HYSGOAWWFFNVHU-BDAKNGLRSA-N	-1	0	315.326	0.222	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(c2ncc([N+](=O)[O-])cc2C#N)CCO1	ZINC000825372757	604450662	/nfs/dbraw/zinc/45/06/62/604450662.db2.gz	QZTIJIIKNQMDSN-LDYMZIIASA-N	-1	0	321.293	0.723	20	30		DCEDRM
Cc1nnc(N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)c(C#N)c1C	ZINC000830887961	604452718	/nfs/dbraw/zinc/45/27/18/604452718.db2.gz	YBBQAPLCHTYFPT-CMPLNLGQSA-N	-1	0	305.338	0.826	20	30		DCEDRM
C[C@H](C(=O)N(C)CCC#N)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000825343523	604619310	/nfs/dbraw/zinc/61/93/10/604619310.db2.gz	IQHJNJXOIWTFTK-TUAOUCFPSA-N	-1	0	312.370	0.104	20	30		DCEDRM
Cc1nc(C)c(C(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)o1	ZINC000832994426	604710802	/nfs/dbraw/zinc/71/08/02/604710802.db2.gz	IJXDROJPCWITIZ-UHFFFAOYSA-N	-1	0	301.258	0.906	20	30		DCEDRM
C=CCCOCC(=O)NC1(C(=O)OC)CCC(C(=O)[O-])CC1	ZINC000833374126	604740903	/nfs/dbraw/zinc/74/09/03/604740903.db2.gz	SJSXMIYGXMLKDN-UHFFFAOYSA-N	-1	0	313.350	0.882	20	30		DCEDRM
Cc1cc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)n(CCC#N)n1	ZINC000830096319	604742314	/nfs/dbraw/zinc/74/23/14/604742314.db2.gz	IXKBKMVTZLWJLL-JTQLQIEISA-N	-1	0	307.310	0.423	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000829268260	604791368	/nfs/dbraw/zinc/79/13/68/604791368.db2.gz	GNVQOTRRRIBSNL-GFCCVEGCSA-N	-1	0	305.290	0.884	20	30		DCEDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000824952023	604856649	/nfs/dbraw/zinc/85/66/49/604856649.db2.gz	HKEXHWBFHHKXDA-SNVBAGLBSA-N	-1	0	304.302	0.881	20	30		DCEDRM
C[C@@H](OC(=O)Cc1cccc(OCC#N)c1)C(=O)NCC(=O)[O-]	ZINC000833533607	604913880	/nfs/dbraw/zinc/91/38/80/604913880.db2.gz	YMJXCSOSTZEKIZ-SNVBAGLBSA-N	-1	0	320.301	0.264	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CN1CCN(CCC#N)CC1)C(=O)[O-]	ZINC000833478497	604926737	/nfs/dbraw/zinc/92/67/37/604926737.db2.gz	QWIYHACJOFBCOJ-ZDUSSCGKSA-N	-1	0	310.398	0.133	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000833370797	605057188	/nfs/dbraw/zinc/05/71/88/605057188.db2.gz	NFZWJJNOZPLVQL-SECBINFHSA-N	-1	0	324.308	0.763	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000833371466	605059752	/nfs/dbraw/zinc/05/97/52/605059752.db2.gz	SHPONACOPAJGRC-VIFPVBQESA-N	-1	0	317.338	0.987	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000833371464	605093584	/nfs/dbraw/zinc/09/35/84/605093584.db2.gz	SHPDQSCFMAIBQO-NSHDSACASA-N	-1	0	320.345	0.933	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)Cc1ccc(C(=O)[O-])[nH]1	ZINC000833760022	605100365	/nfs/dbraw/zinc/10/03/65/605100365.db2.gz	FBHPUEBIHWBXDC-UHFFFAOYSA-N	-1	0	306.366	0.761	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)CC(C)(C)CC(=O)[O-])CC1	ZINC000833365549	605257475	/nfs/dbraw/zinc/25/74/75/605257475.db2.gz	MHGSCAXSKNYTQJ-UHFFFAOYSA-N	-1	0	308.378	0.865	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)CN(C(=O)[O-])c1ccccc1	ZINC000823456111	605310471	/nfs/dbraw/zinc/31/04/71/605310471.db2.gz	KFAWWQOTURJQFU-NSHDSACASA-N	-1	0	304.302	0.852	20	30		DCEDRM
C=C(C)COCCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823480926	605404379	/nfs/dbraw/zinc/40/43/79/605404379.db2.gz	SJBGLSNAAQNVLO-LBPRGKRZSA-N	-1	0	300.355	0.854	20	30		DCEDRM
CC(C[C@@H]1CCCN1C(=O)[O-])=NN[C@H]1CCS(=O)(=O)C1	ZINC000824759178	605457362	/nfs/dbraw/zinc/45/73/62/605457362.db2.gz	JEKMKFDNIHHJNO-QWRGUYRKSA-N	-1	0	303.384	0.672	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)C[C@H]1CCCN1C(=O)[O-]	ZINC000828543780	605467143	/nfs/dbraw/zinc/46/71/43/605467143.db2.gz	XONSWCVAKAWHDD-SECBINFHSA-N	-1	0	315.399	0.105	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CCN(S(=O)(=O)N(C)CCC#N)C1	ZINC000833816231	605515969	/nfs/dbraw/zinc/51/59/69/605515969.db2.gz	INLZNLJVDMKLSK-ZJUUUORDSA-N	-1	0	304.372	0.055	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833373863	605650029	/nfs/dbraw/zinc/65/00/29/605650029.db2.gz	GXIXASIKYULDJW-IJLUTSLNSA-N	-1	0	313.350	0.832	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc2c(cc1O)OCO2	ZINC000833968096	605654877	/nfs/dbraw/zinc/65/48/77/605654877.db2.gz	UIBCXKXICWHKTH-QMMMGPOBSA-N	-1	0	319.273	0.449	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC(CNC(=O)[O-])CC2)c1C#N	ZINC000833935439	605680025	/nfs/dbraw/zinc/68/00/25/605680025.db2.gz	GUGNVIODXDJLFC-UHFFFAOYSA-N	-1	0	306.322	0.903	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC1CN(C(=O)[O-])C1	ZINC000833433611	605716740	/nfs/dbraw/zinc/71/67/40/605716740.db2.gz	YAZZNYVJWVUCFC-CQSZACIVSA-N	-1	0	311.338	0.726	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(C(=O)[O-])no1	ZINC000833534088	605824187	/nfs/dbraw/zinc/82/41/87/605824187.db2.gz	SEOAIENRQBNZAW-CLAHSXSESA-N	-1	0	323.305	0.973	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cc1	ZINC000833973716	605835478	/nfs/dbraw/zinc/83/54/78/605835478.db2.gz	QPWXAUBSAIDGIP-AAEUAGOBSA-N	-1	0	303.318	0.708	20	30		DCEDRM
N#C[C@H]1CSCCN1C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000833966845	605973287	/nfs/dbraw/zinc/97/32/87/605973287.db2.gz	OSLJSKNGYMBQKR-WDEREUQCSA-N	-1	0	313.379	0.613	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCC(=O)NC1CCCC1	ZINC000833967867	606067149	/nfs/dbraw/zinc/06/71/49/606067149.db2.gz	SNPYPPWUATZBKG-LBPRGKRZSA-N	-1	0	322.365	0.540	20	30		DCEDRM
C#CCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000819698095	606891205	/nfs/dbraw/zinc/89/12/05/606891205.db2.gz	SOGRPKQWSWIQGP-UHFFFAOYSA-N	-1	0	313.289	0.447	20	30		DCEDRM
CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cnc(N)nc2)o1	ZINC000824352348	609372505	/nfs/dbraw/zinc/37/25/05/609372505.db2.gz	APHORPGYPBKKHL-UHFFFAOYSA-N	-1	0	314.313	0.796	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)CC[C@H]2CCOC2)C1	ZINC000906007074	663595266	/nfs/dbraw/zinc/59/52/66/663595266.db2.gz	UBLMDVHLWBICDX-LLVKDONJSA-N	-1	0	303.380	0.706	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)c[nH]1	ZINC000981001247	661060456	/nfs/dbraw/zinc/06/04/56/661060456.db2.gz	AHBPNXWZYKGGDO-UHFFFAOYSA-N	-1	0	315.337	0.058	20	30		DCEDRM
C=CCN1CCOC2(CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)C1	ZINC000949343736	657667827	/nfs/dbraw/zinc/66/78/27/657667827.db2.gz	PEFQIHPPGSSNKN-UHFFFAOYSA-N	-1	0	320.393	0.917	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cccc(-n2ccnn2)c1	ZINC000181256559	665513400	/nfs/dbraw/zinc/51/34/00/665513400.db2.gz	MTKYQQLIEOXAJQ-UHFFFAOYSA-N	-1	0	319.346	0.631	20	30		DCEDRM
C[C@]12CSC[C@H]1CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C2	ZINC000891179478	657879669	/nfs/dbraw/zinc/87/96/69/657879669.db2.gz	XBLGXRIXMSYFOX-YGRLFVJLSA-N	-1	0	320.374	0.032	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)[C@@H]1CCCO1	ZINC000926544055	657908778	/nfs/dbraw/zinc/90/87/78/657908778.db2.gz	YYIOHHGQEMOMFD-KBPBESRZSA-N	-1	0	323.370	0.773	20	30		DCEDRM
O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1O	ZINC000976178922	659218557	/nfs/dbraw/zinc/21/85/57/659218557.db2.gz	QWRPJFBVFGCLJE-HALDLXJZSA-N	-1	0	310.353	0.992	20	30		DCEDRM
CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000776123105	659404037	/nfs/dbraw/zinc/40/40/37/659404037.db2.gz	LLAGJHLSRKUWKN-NSHDSACASA-N	-1	0	315.395	0.385	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc([C@H]2CCC(=O)N2)cc1	ZINC000892882946	659498263	/nfs/dbraw/zinc/49/82/63/659498263.db2.gz	RIUWAMIMKAYATJ-GFCCVEGCSA-N	-1	0	308.359	0.883	20	30		DCEDRM
N#CCN1CC[C@@H](CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001028927029	661892889	/nfs/dbraw/zinc/89/28/89/661892889.db2.gz	VAEBPGARHHWUSF-VIFPVBQESA-N	-1	0	301.306	0.504	20	30		DCEDRM
CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)OCC#N)c1	ZINC000728105616	662346245	/nfs/dbraw/zinc/34/62/45/662346245.db2.gz	IPSMLRNCZSYRDW-UHFFFAOYSA-N	-1	0	311.319	0.697	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C(=O)N(C)C)c1	ZINC000728766945	662416251	/nfs/dbraw/zinc/41/62/51/662416251.db2.gz	PXTGLFMDEIWRHP-CYBMUJFWSA-N	-1	0	317.345	0.473	20	30		DCEDRM
COc1ccc(/C=C/C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)cc1	ZINC000143751960	662480627	/nfs/dbraw/zinc/48/06/27/662480627.db2.gz	WRAQIAOARWFECD-RMKNXTFCSA-N	-1	0	316.313	0.694	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000729884184	662911723	/nfs/dbraw/zinc/91/17/23/662911723.db2.gz	QAPAOWQNQKRZRG-UHFFFAOYSA-N	-1	0	313.331	0.465	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1	ZINC000899938353	663202840	/nfs/dbraw/zinc/20/28/40/663202840.db2.gz	HFFQUTMPFXIDFU-PJXYFTJBSA-N	-1	0	324.333	0.790	20	30		DCEDRM
O=C([O-])c1ccc(C=NNCCCN2CCOCC2)cc1O	ZINC000901234101	663332204	/nfs/dbraw/zinc/33/22/04/663332204.db2.gz	CWAQNUAFXGFFDJ-UHFFFAOYSA-N	-1	0	307.350	0.736	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1C=NNC[C@H]1COc2ccccc2O1	ZINC000901268773	663336225	/nfs/dbraw/zinc/33/62/25/663336225.db2.gz	ATWXJBJLIZBSSE-NSHDSACASA-N	-1	0	316.317	0.882	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CCC[C@@H](C(F)(F)F)O2)c1=O	ZINC000901567075	663351556	/nfs/dbraw/zinc/35/15/56/663351556.db2.gz	YLCTVDAFVYXIEC-BDAKNGLRSA-N	-1	0	303.240	0.908	20	30		DCEDRM
C=CCCS(=O)(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC000903031633	663444852	/nfs/dbraw/zinc/44/48/52/663444852.db2.gz	CIEWPAFPXUTWMT-AKJDGMEZSA-N	-1	0	303.380	0.894	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1F	ZINC000907015359	663660821	/nfs/dbraw/zinc/66/08/21/663660821.db2.gz	PYCAGZJPKJNOKE-VIFPVBQESA-N	-1	0	313.306	0.547	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1ccn(CC(F)(F)F)n1)C(=O)[O-]	ZINC000907719896	663714238	/nfs/dbraw/zinc/71/42/38/663714238.db2.gz	WGMIBULMGIEGMQ-SECBINFHSA-N	-1	0	303.240	0.581	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1	ZINC000908240314	663745749	/nfs/dbraw/zinc/74/57/49/663745749.db2.gz	GOIVCYSKIREWRG-LLVKDONJSA-N	-1	0	312.395	0.647	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NC[C@@H](C)CN1CCOCC1)C(=O)[O-]	ZINC000908913041	663774073	/nfs/dbraw/zinc/77/40/73/663774073.db2.gz	DMDYWVRHUWPDBK-CHWSQXEVSA-N	-1	0	313.398	0.673	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CCC[C@@H]1OC)C(=O)[O-]	ZINC000908919406	663774481	/nfs/dbraw/zinc/77/44/81/663774481.db2.gz	DRGQJSQGNOHNCO-SRVKXCTJSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCCOCCNC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000909117837	663781577	/nfs/dbraw/zinc/78/15/77/663781577.db2.gz	SXPQBLSHDPMSKR-NWDGAFQWSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1c(CC)nn(C)c1CC)C(=O)[O-]	ZINC000909771827	663800309	/nfs/dbraw/zinc/80/03/09/663800309.db2.gz	QYKITHQVRAXMBD-ZDUSSCGKSA-N	-1	0	323.393	0.859	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(C)nc2c1c(C)nn2C)C(=O)[O-]	ZINC000910052030	663837030	/nfs/dbraw/zinc/83/70/30/663837030.db2.gz	LIRCITGEKIGVLG-NSHDSACASA-N	-1	0	300.318	0.791	20	30		DCEDRM
C#CC[C@@H](NC(=O)CN1c2ccccc2O[C@@H](C)C1=O)C(=O)[O-]	ZINC000910052357	663837323	/nfs/dbraw/zinc/83/73/23/663837323.db2.gz	VEZVSLHFMBYKJN-WDEREUQCSA-N	-1	0	316.313	0.393	20	30		DCEDRM
C=CCOc1ccc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1OC	ZINC000910532533	663901473	/nfs/dbraw/zinc/90/14/73/663901473.db2.gz	GVVGGGQHOCLVMA-INIZCTEOSA-N	-1	0	321.329	0.922	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])OCC	ZINC000910760012	663934548	/nfs/dbraw/zinc/93/45/48/663934548.db2.gz	NXZIQDXGLHRGHL-RYUDHWBXSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=C[C@@](C)(O)C(=O)N1CCN(c2ccc(C(=O)[O-])cn2)CC1	ZINC000911168243	664000264	/nfs/dbraw/zinc/00/02/64/664000264.db2.gz	NGNCLJYWXFHURQ-OAHLLOKOSA-N	-1	0	305.334	0.365	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1	ZINC000165308035	664408265	/nfs/dbraw/zinc/40/82/65/664408265.db2.gz	TTWLOPRECCGQAD-UHFFFAOYSA-N	-1	0	310.375	0.519	20	30		DCEDRM
C=C1CCC(C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)CC1	ZINC001030900981	664698774	/nfs/dbraw/zinc/69/87/74/664698774.db2.gz	YWOFJXHNXBRYBX-UHFFFAOYSA-N	-1	0	305.382	0.155	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(-n2cnnn2)c(C)c1	ZINC000916920551	665100864	/nfs/dbraw/zinc/10/08/64/665100864.db2.gz	LUCITMLDXBABNX-LBPRGKRZSA-N	-1	0	310.317	0.595	20	30		DCEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)ccc1-n1cnnn1	ZINC000916931509	665101835	/nfs/dbraw/zinc/10/18/35/665101835.db2.gz	QVOVMGBXZAKEOT-LBPRGKRZSA-N	-1	0	310.317	0.572	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1sc(-c2ncccn2)nc1C	ZINC000917430889	665132979	/nfs/dbraw/zinc/13/29/79/665132979.db2.gz	HOXNKLIRMOSXFU-MRVPVSSYSA-N	-1	0	301.331	0.977	20	30		DCEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1	ZINC000942742337	666213547	/nfs/dbraw/zinc/21/35/47/666213547.db2.gz	FGQPVVPSAKAHTO-GXSJLCMTSA-N	-1	0	319.365	0.646	20	30		DCEDRM
C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000944136929	666396582	/nfs/dbraw/zinc/39/65/82/666396582.db2.gz	XOTPLTGOHZUSRP-ZJUUUORDSA-N	-1	0	315.333	0.892	20	30		DCEDRM
CN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@@H]1CCN(CC#N)C1	ZINC001033579595	666761492	/nfs/dbraw/zinc/76/14/92/666761492.db2.gz	AEZWTZHLSCDUQP-SECBINFHSA-N	-1	0	301.306	0.598	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)c1	ZINC000733679548	666797330	/nfs/dbraw/zinc/79/73/30/666797330.db2.gz	ACVOUXGMFGIOPN-GFCCVEGCSA-N	-1	0	324.358	0.559	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)nn1	ZINC000861159069	666906041	/nfs/dbraw/zinc/90/60/41/666906041.db2.gz	DWTKHXHNRULTMM-UHFFFAOYSA-N	-1	0	306.294	0.321	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1	ZINC000862133152	667021363	/nfs/dbraw/zinc/02/13/63/667021363.db2.gz	ULMDVMTXFLTJJX-UHFFFAOYSA-N	-1	0	320.345	0.994	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C	ZINC000862217589	667031163	/nfs/dbraw/zinc/03/11/63/667031163.db2.gz	JWNVBTHRCOWNFE-STQMWFEESA-N	-1	0	322.365	0.332	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)n1C	ZINC000863409619	667140694	/nfs/dbraw/zinc/14/06/94/667140694.db2.gz	HHWMZJUGKJKQBP-UHFFFAOYSA-N	-1	0	311.363	0.217	20	30		DCEDRM
CSC(C)(C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863935525	667195204	/nfs/dbraw/zinc/19/52/04/667195204.db2.gz	ZHOVJINTJDXADR-UHFFFAOYSA-N	-1	0	308.363	0.345	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](OCC)C1CCOCC1)C(=O)[O-]	ZINC000864146804	667219771	/nfs/dbraw/zinc/21/97/71/667219771.db2.gz	YMVOREUYALDUQO-QWHCGFSZSA-N	-1	0	315.366	0.590	20	30		DCEDRM
CCOc1nc2cc(C(=O)[N-]S(=O)(=O)CCC#N)ccc2[nH]1	ZINC000838888875	667718155	/nfs/dbraw/zinc/71/81/55/667718155.db2.gz	AFBAQJJNYUSCPD-UHFFFAOYSA-N	-1	0	322.346	0.935	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000839019519	667727085	/nfs/dbraw/zinc/72/70/85/667727085.db2.gz	KDRAFTLGZPIKIP-ZDUSSCGKSA-N	-1	0	315.395	0.762	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccnc(N3CCCC3)n2)[n-]c1C#N	ZINC000740084990	667732477	/nfs/dbraw/zinc/73/24/77/667732477.db2.gz	CSUUWHKXGWCIPG-UHFFFAOYSA-N	-1	0	308.305	0.796	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cnc3nccn3c2)CC1	ZINC000870370264	667734683	/nfs/dbraw/zinc/73/46/83/667734683.db2.gz	SWWHVXWJEVWRCW-UHFFFAOYSA-N	-1	0	306.347	0.898	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1CN(C)C	ZINC000870642142	667749549	/nfs/dbraw/zinc/74/95/49/667749549.db2.gz	OMWHVFLVBGSDIO-GFCCVEGCSA-N	-1	0	324.402	0.591	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2C(=O)CCC)CC1	ZINC000870832940	667765003	/nfs/dbraw/zinc/76/50/03/667765003.db2.gz	ILADKDUGOSKBIP-LLVKDONJSA-N	-1	0	314.407	0.942	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCC(=O)N(CC)CC)CC1	ZINC000870833344	667765034	/nfs/dbraw/zinc/76/50/34/667765034.db2.gz	AZZFXCBRNFNBCG-UHFFFAOYSA-N	-1	0	302.396	0.800	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC(F)F)CC1	ZINC000870836815	667765431	/nfs/dbraw/zinc/76/54/31/667765431.db2.gz	NPDUNNRUCSNGJO-SECBINFHSA-N	-1	0	324.349	0.117	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000871973442	667860942	/nfs/dbraw/zinc/86/09/42/667860942.db2.gz	XBLBDTRTHIRDPT-VIFPVBQESA-N	-1	0	315.372	0.777	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000871973445	667861116	/nfs/dbraw/zinc/86/11/16/667861116.db2.gz	XERNZRFPAJWMRS-LLVKDONJSA-N	-1	0	313.306	0.547	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)o1	ZINC000747204774	667897260	/nfs/dbraw/zinc/89/72/60/667897260.db2.gz	MOLGKDGVYHXDDJ-SECBINFHSA-N	-1	0	307.306	0.244	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1CCN(CC#N)CC1	ZINC000758302571	668166395	/nfs/dbraw/zinc/16/63/95/668166395.db2.gz	NDAJRSZGVTVXHJ-UHFFFAOYSA-N	-1	0	320.315	0.548	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cnccn2)cc1	ZINC000758577585	668185268	/nfs/dbraw/zinc/18/52/68/668185268.db2.gz	MFBBHUBIBDDNIC-UHFFFAOYSA-N	-1	0	317.326	0.607	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cncc(C(=O)OC)c1	ZINC000760198005	668262291	/nfs/dbraw/zinc/26/22/91/668262291.db2.gz	OJWDKGINOHAYPG-GFCCVEGCSA-N	-1	0	319.317	0.343	20	30		DCEDRM
Cn1cc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)cn1	ZINC000760405144	668271047	/nfs/dbraw/zinc/27/10/47/668271047.db2.gz	YCGUNWSOKJAZRZ-UHFFFAOYSA-N	-1	0	324.406	0.883	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)CN2CCCC2=O)n1	ZINC000925276390	668288638	/nfs/dbraw/zinc/28/86/38/668288638.db2.gz	PBSJZSBMGQWMRA-JTQLQIEISA-N	-1	0	321.358	0.793	20	30		DCEDRM
N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000761106450	668305898	/nfs/dbraw/zinc/30/58/98/668305898.db2.gz	IQMOJLCRZHTHIR-ZDUSSCGKSA-N	-1	0	308.359	0.530	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(OC)c(-n2cnnn2)c1	ZINC000762023705	668343865	/nfs/dbraw/zinc/34/38/65/668343865.db2.gz	YWYKCCLLOLHBQX-UHFFFAOYSA-N	-1	0	317.305	0.384	20	30		DCEDRM
Cc1cn2ccnc(C([O-])=C(C#N)C(=O)c3nccn3C)c2n1	ZINC000764044501	668432190	/nfs/dbraw/zinc/43/21/90/668432190.db2.gz	QPIFEDJLWAGFLK-SNVBAGLBSA-N	-1	0	308.301	0.977	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(S(N)(=O)=O)nc2)c1	ZINC000764484433	668449685	/nfs/dbraw/zinc/44/96/85/668449685.db2.gz	LKNSACMAAFBXQM-UHFFFAOYSA-N	-1	0	318.314	0.559	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@@]23CCOC3)cc1	ZINC000764754128	668461019	/nfs/dbraw/zinc/46/10/19/668461019.db2.gz	QFRZUAXHMBTJKQ-UKRRQHHQSA-N	-1	0	320.370	0.931	20	30		DCEDRM
N#CCn1cc([N-]S(=O)(=O)c2cccc3nonc32)cn1	ZINC000765066876	668474799	/nfs/dbraw/zinc/47/47/99/668474799.db2.gz	GRWMCGDGJBYJIJ-UHFFFAOYSA-N	-1	0	304.291	0.744	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1	ZINC000765109555	668476231	/nfs/dbraw/zinc/47/62/31/668476231.db2.gz	LJNBVRCELPGBHX-LBPRGKRZSA-N	-1	0	312.333	0.856	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000765651156	668503508	/nfs/dbraw/zinc/50/35/08/668503508.db2.gz	UKPCFMPQDCJCGW-UHFFFAOYSA-N	-1	0	322.346	0.499	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)c1cc(=O)[n-]c(OC)n1	ZINC000770515835	668698080	/nfs/dbraw/zinc/69/80/80/668698080.db2.gz	DXIVUMAQSIGXMA-UHFFFAOYSA-N	-1	0	308.294	0.110	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(c1)OCC(=O)N2	ZINC000770862510	668720401	/nfs/dbraw/zinc/72/04/01/668720401.db2.gz	NTHPQAGRDHATRE-JTQLQIEISA-N	-1	0	324.296	0.956	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC000770868419	668721010	/nfs/dbraw/zinc/72/10/10/668721010.db2.gz	JJZPZSUYDMTZAZ-WDEREUQCSA-N	-1	0	316.361	0.959	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)CCC1	ZINC000771077696	668730267	/nfs/dbraw/zinc/73/02/67/668730267.db2.gz	GODAJNSFGGUPCO-UHFFFAOYSA-N	-1	0	319.346	0.483	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1nn(C)c(=O)c2ccccc12	ZINC000772709933	668781848	/nfs/dbraw/zinc/78/18/48/668781848.db2.gz	IFTVOMUCPRZQAY-UHFFFAOYSA-N	-1	0	321.358	0.108	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](CCSC)NC(=O)CC	ZINC000772718012	668782286	/nfs/dbraw/zinc/78/22/86/668782286.db2.gz	KQMYLFCKQUUQIJ-SECBINFHSA-N	-1	0	308.425	0.266	20	30		DCEDRM
Cc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776116272	668871052	/nfs/dbraw/zinc/87/10/52/668871052.db2.gz	NLHRCKHAPPPOFJ-UHFFFAOYSA-N	-1	0	304.759	0.745	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1	ZINC000776119284	668871201	/nfs/dbraw/zinc/87/12/01/668871201.db2.gz	IWFLZPXVKDSIOR-UHFFFAOYSA-N	-1	0	320.334	0.026	20	30		DCEDRM
C[C@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122640	668871392	/nfs/dbraw/zinc/87/13/92/668871392.db2.gz	SNMLHXSLINYYSQ-NWDGAFQWSA-N	-1	0	318.395	0.710	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCOCC(F)(F)F	ZINC000776143668	668871896	/nfs/dbraw/zinc/87/18/96/668871896.db2.gz	JHQBIQUYXJTBQJ-UHFFFAOYSA-N	-1	0	316.301	0.951	20	30		DCEDRM
Cn1ncc2cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cnc21	ZINC000776145577	668871921	/nfs/dbraw/zinc/87/19/21/668871921.db2.gz	DJSJALXPUOJFLC-UHFFFAOYSA-N	-1	0	321.362	0.578	20	30		DCEDRM
C[C@@](O)(C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1	ZINC000805576669	668882323	/nfs/dbraw/zinc/88/23/23/668882323.db2.gz	DVIGZPWGVWLDMW-AWEZNQCLSA-N	-1	0	302.290	0.511	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)ncn2C	ZINC000777302521	668886182	/nfs/dbraw/zinc/88/61/82/668886182.db2.gz	ODOIJEXTBPHXJX-NSHDSACASA-N	-1	0	300.318	0.658	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)s1	ZINC000781513162	669047914	/nfs/dbraw/zinc/04/79/14/669047914.db2.gz	OTERQKCUDVWMGK-QMMMGPOBSA-N	-1	0	300.361	0.858	20	30		DCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)nnn1C	ZINC000781602979	669051501	/nfs/dbraw/zinc/05/15/01/669051501.db2.gz	NQIZAGVLQQHMSJ-UHFFFAOYSA-N	-1	0	323.309	0.253	20	30		DCEDRM
COCCOCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000782983721	669136263	/nfs/dbraw/zinc/13/62/63/669136263.db2.gz	ASHURZQDFAOPJD-UHFFFAOYSA-N	-1	0	306.278	0.013	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@H]1C[C@]13CCOC3)cc2=O	ZINC000784734755	669218814	/nfs/dbraw/zinc/21/88/14/669218814.db2.gz	OBYVDCDEAVYHIB-ABAIWWIYSA-N	-1	0	314.301	0.776	20	30		DCEDRM
C#CCC(CC#C)C(=O)N1CC(CNC(=O)C(F)(F)F)C1	ZINC000881448226	669344313	/nfs/dbraw/zinc/34/43/13/669344313.db2.gz	KJJGGLMAIYVRGP-UHFFFAOYSA-N	-1	0	300.280	0.786	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(N)=O)C1	ZINC000786975492	669345155	/nfs/dbraw/zinc/34/51/55/669345155.db2.gz	QGQMZBPSLGXIQC-UWVGGRQHSA-N	-1	0	301.368	0.028	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)c1	ZINC000787206650	669356611	/nfs/dbraw/zinc/35/66/11/669356611.db2.gz	TXZVILKYAVZSFH-CHWSQXEVSA-N	-1	0	316.313	0.355	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]N1CCCNC1=O	ZINC000788913950	669462346	/nfs/dbraw/zinc/46/23/46/669462346.db2.gz	RPZKOTTZFDFVFP-UHFFFAOYSA-N	-1	0	310.335	0.175	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)[C@@H](CCC)C(=O)OCC)C(=O)OC	ZINC000882252554	669487587	/nfs/dbraw/zinc/48/75/87/669487587.db2.gz	RHCWZAJSARIGDQ-QWRGUYRKSA-N	-1	0	319.379	0.203	20	30		DCEDRM
C#C[C@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[C@@H]1CCCO1	ZINC000790036038	669532190	/nfs/dbraw/zinc/53/21/90/669532190.db2.gz	NYCAKTGJEWGZPB-DCAQKATOSA-N	-1	0	320.311	0.987	20	30		DCEDRM
C#C[C@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)[C@H]1CCCO1	ZINC000935459433	669725841	/nfs/dbraw/zinc/72/58/41/669725841.db2.gz	NKHCEDYMSYJEAE-UONOGXRCSA-N	-1	0	305.378	0.672	20	30		DCEDRM
CNC(=O)NCCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000795618934	669903514	/nfs/dbraw/zinc/90/35/14/669903514.db2.gz	RJMNSRPOUWNNBM-SECBINFHSA-N	-1	0	324.362	0.490	20	30		DCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000796697392	669939379	/nfs/dbraw/zinc/93/93/79/669939379.db2.gz	POYZTXFOLCFWAM-UHFFFAOYSA-N	-1	0	313.379	0.531	20	30		DCEDRM
Cn1cc(C(=O)CCC(=O)C(C#N)=C([O-])c2nccn2C)cn1	ZINC000796774312	669942497	/nfs/dbraw/zinc/94/24/97/669942497.db2.gz	KIVXYUNYVHQOHL-NSHDSACASA-N	-1	0	313.317	0.708	20	30		DCEDRM
CC(C)OCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000049135162	669945835	/nfs/dbraw/zinc/94/58/35/669945835.db2.gz	CMSQELFJKUEHMT-UHFFFAOYSA-N	-1	0	303.340	0.194	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCn2cnccc2=O)CC1	ZINC000797271296	669961230	/nfs/dbraw/zinc/96/12/30/669961230.db2.gz	AGFWECGGDQJOAR-UHFFFAOYSA-N	-1	0	311.363	0.188	20	30		DCEDRM
COCCCCS(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797960307	669981929	/nfs/dbraw/zinc/98/19/29/669981929.db2.gz	OMRLWTJAJSKYPV-UHFFFAOYSA-N	-1	0	300.336	0.946	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000798036005	669984587	/nfs/dbraw/zinc/98/45/87/669984587.db2.gz	CZQAWJDWZTUPHK-GXFFZTMASA-N	-1	0	317.349	0.169	20	30		DCEDRM
O=C([O-])COc1cccc(C=NNCCCN2CCOCC2)c1	ZINC000799490840	670061777	/nfs/dbraw/zinc/06/17/77/670061777.db2.gz	VUCMHGDAFIGOPU-UHFFFAOYSA-N	-1	0	321.377	0.796	20	30		DCEDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000799611415	670066570	/nfs/dbraw/zinc/06/65/70/670066570.db2.gz	UFACLOJLKLUPJQ-UHFFFAOYSA-N	-1	0	324.358	0.880	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)CCc1ccccc1	ZINC000799622106	670066864	/nfs/dbraw/zinc/06/68/64/670066864.db2.gz	VNHHWGBIFDCKLW-GFCCVEGCSA-N	-1	0	324.402	0.756	20	30		DCEDRM
CS(=O)(=O)N1CC(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000189353293	670114419	/nfs/dbraw/zinc/11/44/19/670114419.db2.gz	UHDMFIFVJXNNEI-AWNIVKPZSA-N	-1	0	313.335	0.611	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC	ZINC000802157471	670153757	/nfs/dbraw/zinc/15/37/57/670153757.db2.gz	FXNIMYVPPRIZEZ-MNOVXSKESA-N	-1	0	303.380	0.824	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000803001684	670232845	/nfs/dbraw/zinc/23/28/45/670232845.db2.gz	MLPPYHKYFVFJKG-JTQLQIEISA-N	-1	0	311.363	0.383	20	30		DCEDRM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C(=O)O1	ZINC000809382789	670450488	/nfs/dbraw/zinc/45/04/88/670450488.db2.gz	MJIHHZNDJYPMAO-WKEGUHRASA-N	-1	0	316.285	0.819	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)c1	ZINC000810771465	670496541	/nfs/dbraw/zinc/49/65/41/670496541.db2.gz	KXUNTWNNPSITDV-UHFFFAOYSA-N	-1	0	317.370	0.884	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)cn1	ZINC000810772752	670496751	/nfs/dbraw/zinc/49/67/51/670496751.db2.gz	DHJSOEDFMKZODI-UHFFFAOYSA-N	-1	0	304.274	0.766	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC000810776860	670497172	/nfs/dbraw/zinc/49/71/72/670497172.db2.gz	LFIALIDDIGNNNB-NSHDSACASA-N	-1	0	306.343	0.795	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](NC(C)=O)c1ccccc1	ZINC000810775530	670497261	/nfs/dbraw/zinc/49/72/61/670497261.db2.gz	JPNUKXSMHKFCKP-CQSZACIVSA-N	-1	0	322.386	0.723	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CN(C)C(=O)c1cccs1	ZINC000810778548	670497584	/nfs/dbraw/zinc/49/75/84/670497584.db2.gz	CTUDVVJGXMJQDX-UHFFFAOYSA-N	-1	0	314.388	0.289	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(-c2ccc(C)cc2)nn1	ZINC000810779189	670497597	/nfs/dbraw/zinc/49/75/97/670497597.db2.gz	CDECKXHHYVNKKX-UHFFFAOYSA-N	-1	0	318.358	0.659	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(F)cc2nccnc21	ZINC000810781449	670497670	/nfs/dbraw/zinc/49/76/70/670497670.db2.gz	QSJIMFYXXWFZHN-UHFFFAOYSA-N	-1	0	307.306	0.852	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(OC)cc1	ZINC000810786630	670498303	/nfs/dbraw/zinc/49/83/03/670498303.db2.gz	QLKRNHRVWZEJGA-NSHDSACASA-N	-1	0	311.359	0.932	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC	ZINC000811136836	670508750	/nfs/dbraw/zinc/50/87/50/670508750.db2.gz	LBNCLHCLERXKTC-UHFFFAOYSA-N	-1	0	321.395	0.614	20	30		DCEDRM
CC[C@@H](O)CNN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000811654683	670541030	/nfs/dbraw/zinc/54/10/30/670541030.db2.gz	UFUKQXMLAKYNLD-SNVBAGLBSA-N	-1	0	311.294	0.753	20	30		DCEDRM
C#CCONC(=O)CCn1c(=O)c2ccccc2[n-]c1=S	ZINC000812784841	670595599	/nfs/dbraw/zinc/59/55/99/670595599.db2.gz	KQKYNTWABSAKDS-UHFFFAOYSA-N	-1	0	303.343	0.756	20	30		DCEDRM
C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980176	670667650	/nfs/dbraw/zinc/66/76/50/670667650.db2.gz	UFBTYLWMPHABHD-SECBINFHSA-N	-1	0	309.347	0.573	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)nn1C	ZINC000813983473	670668213	/nfs/dbraw/zinc/66/82/13/670668213.db2.gz	WKUGYKXJVHZUFJ-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1c(C)cnn1C)OCC	ZINC000813986518	670668886	/nfs/dbraw/zinc/66/88/86/670668886.db2.gz	CPBMGWJZFBKYSH-LLVKDONJSA-N	-1	0	315.395	0.905	20	30		DCEDRM
COc1ccc2[nH]cc(C=Nn3c(=O)[n-][nH]c3=O)c2c1[N+](=O)[O-]	ZINC000814232627	670681682	/nfs/dbraw/zinc/68/16/82/670681682.db2.gz	FZOHUWNEZUQISY-UHFFFAOYSA-N	-1	0	318.249	0.970	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000814231541	670682086	/nfs/dbraw/zinc/68/20/86/670682086.db2.gz	IESKXOARUVPGSY-UHFFFAOYSA-N	-1	0	307.222	0.251	20	30		DCEDRM
CCn1ncn(N=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)c1=O	ZINC000814234443	670682468	/nfs/dbraw/zinc/68/24/68/670682468.db2.gz	MBQLDXWAQHPSIF-JTQLQIEISA-N	-1	0	304.306	0.799	20	30		DCEDRM
CCn1ncn(N=Cc2cccc(O[C@H](C)C(=O)[O-])c2)c1=O	ZINC000814234460	670682927	/nfs/dbraw/zinc/68/29/27/670682927.db2.gz	MBQLDXWAQHPSIF-SNVBAGLBSA-N	-1	0	304.306	0.799	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)oc1C	ZINC000849219334	670765778	/nfs/dbraw/zinc/76/57/78/670765778.db2.gz	PYYMGYGSLNTSNI-UHFFFAOYSA-N	-1	0	315.303	0.083	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C	ZINC000849219618	670766782	/nfs/dbraw/zinc/76/67/82/670766782.db2.gz	RAZFXLPZDMVBHR-JTQLQIEISA-N	-1	0	311.363	0.489	20	30		DCEDRM
Cn1ncc(C2CC2)c1/C=C/C(=O)c1cnc([O-])n(C)c1=O	ZINC000849247024	670768716	/nfs/dbraw/zinc/76/87/16/670768716.db2.gz	NRNUWDWDFBZMLF-AATRIKPKSA-N	-1	0	300.318	0.993	20	30		DCEDRM
CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000815895288	670770386	/nfs/dbraw/zinc/77/03/86/670770386.db2.gz	MEWHVOJMOFGUFN-UHFFFAOYSA-N	-1	0	319.346	0.597	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OCC)cn1	ZINC000815908530	670771248	/nfs/dbraw/zinc/77/12/48/670771248.db2.gz	DKKVNCNOZZVPST-LLVKDONJSA-N	-1	0	301.302	0.883	20	30		DCEDRM
CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCCOC)nc1	ZINC000815906854	670771283	/nfs/dbraw/zinc/77/12/83/670771283.db2.gz	KZSNSQBETDXNJM-LLVKDONJSA-N	-1	0	319.317	0.343	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1c[nH]c(C(=O)OC)c1	ZINC000815905095	670771404	/nfs/dbraw/zinc/77/14/04/670771404.db2.gz	ZMMZMJINRAZQON-LLVKDONJSA-N	-1	0	321.333	0.667	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)CC1	ZINC000816032796	670781304	/nfs/dbraw/zinc/78/13/04/670781304.db2.gz	OELYFEXXPSLTJB-UHFFFAOYSA-N	-1	0	318.305	0.647	20	30		DCEDRM
C#CCCN(CCOC)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000856386682	670811145	/nfs/dbraw/zinc/81/11/45/670811145.db2.gz	PMQOFPMKGSLGTB-UHFFFAOYSA-N	-1	0	316.317	0.548	20	30		DCEDRM
COC[C@@H](C#N)OC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000857065306	670878999	/nfs/dbraw/zinc/87/89/99/670878999.db2.gz	MARJVIUXPVUYCP-SECBINFHSA-N	-1	0	319.342	0.918	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC000817116455	670897235	/nfs/dbraw/zinc/89/72/35/670897235.db2.gz	URHQTCIVXYMCNC-UHFFFAOYSA-N	-1	0	312.391	0.229	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@H]1[C@@H]3COC[C@@H]31)cc2=O	ZINC000850261451	670901835	/nfs/dbraw/zinc/90/18/35/670901835.db2.gz	ZBEDLRJWYSVMIH-IAZYJMLFSA-N	-1	0	300.274	0.242	20	30		DCEDRM
C=CCCO[N-]C(=O)CNS(=O)(=O)c1c(C)noc1C	ZINC000857330783	670910583	/nfs/dbraw/zinc/91/05/83/670910583.db2.gz	NZBXPCLOJFKACI-UHFFFAOYSA-N	-1	0	303.340	0.194	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1nn(C)c2ccccc12	ZINC000817733078	670934722	/nfs/dbraw/zinc/93/47/22/670934722.db2.gz	UVIIITRQRXBHLK-UHFFFAOYSA-N	-1	0	305.359	0.585	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCOC1	ZINC000850732545	670936911	/nfs/dbraw/zinc/93/69/11/670936911.db2.gz	ASFMLRWMXMIWSL-AAEUAGOBSA-N	-1	0	324.358	0.415	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1c(Cl)cnn1C	ZINC000850751410	670938126	/nfs/dbraw/zinc/93/81/26/670938126.db2.gz	BOXUPMHQWJCCFC-SECBINFHSA-N	-1	0	312.757	0.939	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C=CC(=O)OC)o1	ZINC000850758017	670938783	/nfs/dbraw/zinc/93/87/83/670938783.db2.gz	WPCGAZPXGPAAMA-QZPNVGJNSA-N	-1	0	320.301	0.551	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])[C@@H]1CCCO1	ZINC000850786744	670940292	/nfs/dbraw/zinc/94/02/92/670940292.db2.gz	PHMDKGZRMTYLPJ-KOLCDFICSA-N	-1	0	317.301	0.015	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)ccc1C#N	ZINC000850991241	670959717	/nfs/dbraw/zinc/95/97/17/670959717.db2.gz	RTNDIPPJPLGNGX-VIFPVBQESA-N	-1	0	312.347	0.661	20	30		DCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000850989023	670959825	/nfs/dbraw/zinc/95/98/25/670959825.db2.gz	YFWUVEMJVSRYIZ-SNVBAGLBSA-N	-1	0	304.368	0.178	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CCc1ccc(F)cc1	ZINC000851199450	670973427	/nfs/dbraw/zinc/97/34/27/670973427.db2.gz	MJWYDULMAUCWBT-UHFFFAOYSA-N	-1	0	313.350	0.854	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C(C)C	ZINC000858422455	671003333	/nfs/dbraw/zinc/00/33/33/671003333.db2.gz	KPWXTUCFENPAPQ-GFCCVEGCSA-N	-1	0	315.333	0.045	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)N[C@@H]3C=CCC3)C2)c(=O)[n-]c1=O	ZINC000858607305	671020366	/nfs/dbraw/zinc/02/03/66/671020366.db2.gz	CGUVWAVVJIHYSK-SNVBAGLBSA-N	-1	0	301.306	0.105	20	30		DCEDRM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000859424273	671112720	/nfs/dbraw/zinc/11/27/20/671112720.db2.gz	FAROHEFZFQJXJD-SECBINFHSA-N	-1	0	316.339	0.035	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC(=O)NCc1ccccc1	ZINC000819833544	671141327	/nfs/dbraw/zinc/14/13/27/671141327.db2.gz	HSDIDTMZNMQEFX-OAHLLOKOSA-N	-1	0	303.318	0.424	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc2c(cn1)OCCO2	ZINC000819941278	671148569	/nfs/dbraw/zinc/14/85/69/671148569.db2.gz	JDDSGFRACKWSTJ-SNVBAGLBSA-N	-1	0	319.317	0.328	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(OC)c(Br)c1	ZINC000819945015	671149445	/nfs/dbraw/zinc/14/94/45/671149445.db2.gz	CVWKGAWTXGSGMD-ZETCQYMHSA-N	-1	0	312.123	0.921	20	30		DCEDRM
CN1C(=O)CCc2cc(C(=O)N[C@@H]3CCN(O)C3=O)ccc21	ZINC000820149441	671171706	/nfs/dbraw/zinc/17/17/06/671171706.db2.gz	OZZSDOKRJGOWDX-LLVKDONJSA-N	-1	0	303.318	0.316	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1	ZINC000853112989	671209646	/nfs/dbraw/zinc/20/96/46/671209646.db2.gz	QUOCWEMIGQHELT-MGCOHNPYSA-N	-1	0	318.395	0.922	20	30		DCEDRM
COCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(C#N)nc2)CC1	ZINC000860777192	671237708	/nfs/dbraw/zinc/23/77/08/671237708.db2.gz	PPRZAOUOVYXGRK-UHFFFAOYSA-N	-1	0	309.347	0.121	20	30		DCEDRM
CC(=O)[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)CCC#N)C1(C)C	ZINC000821583757	671284396	/nfs/dbraw/zinc/28/43/96/671284396.db2.gz	GQMXNRVSLQAJPY-MNOVXSKESA-N	-1	0	300.380	0.987	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccccc1Cn1cncn1	ZINC000821582267	671284500	/nfs/dbraw/zinc/28/45/00/671284500.db2.gz	ILKUKUSKXJQVHG-UHFFFAOYSA-N	-1	0	319.346	0.300	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000824020977	671416655	/nfs/dbraw/zinc/41/66/55/671416655.db2.gz	FAYXNRARFTVQBV-LLVKDONJSA-N	-1	0	300.318	0.082	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000824021120	671416774	/nfs/dbraw/zinc/41/67/74/671416774.db2.gz	INQRPMJRRHZVIG-GFCCVEGCSA-N	-1	0	314.345	0.473	20	30		DCEDRM
C[C@H]1C[C@H](C)CN(C(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)C1	ZINC000824874038	671442751	/nfs/dbraw/zinc/44/27/51/671442751.db2.gz	AZEYBGQZRUTCPA-UWVGGRQHSA-N	-1	0	314.353	0.439	20	30		DCEDRM
C[C@H]1CCC[C@H](C)N1C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000824925663	671443948	/nfs/dbraw/zinc/44/39/48/671443948.db2.gz	FTZIQZXZUNYOAM-UWVGGRQHSA-N	-1	0	314.353	0.724	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CCOc1ccccc1C#N	ZINC000826387264	671486991	/nfs/dbraw/zinc/48/69/91/671486991.db2.gz	MTHRQGYWVARACF-UHFFFAOYSA-N	-1	0	306.289	0.886	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CC[C@@H]1CCCO1	ZINC000831091972	671652804	/nfs/dbraw/zinc/65/28/04/671652804.db2.gz	OJBCXJATZGVVGZ-QWRGUYRKSA-N	-1	0	317.367	0.073	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000835036875	671786964	/nfs/dbraw/zinc/78/69/64/671786964.db2.gz	GHSBNDZQKPMSNY-OLZOCXBDSA-N	-1	0	306.343	0.954	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000835165250	671789954	/nfs/dbraw/zinc/78/99/54/671789954.db2.gz	OMEIUOSJRLYAIY-NSHDSACASA-N	-1	0	306.343	0.710	20	30		DCEDRM
Cn1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)n1	ZINC000835302038	671793270	/nfs/dbraw/zinc/79/32/70/671793270.db2.gz	APJSHSIUBFSJDW-UHFFFAOYSA-N	-1	0	310.379	0.954	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CNC(=O)CCC1CCCC1	ZINC000835413219	671796020	/nfs/dbraw/zinc/79/60/20/671796020.db2.gz	ZKXTWBIXQOHSKQ-UHFFFAOYSA-N	-1	0	315.395	0.433	20	30		DCEDRM
CCOc1ccccc1OCC(=O)[N-]S(=O)(=O)CCC#N	ZINC000835410990	671796043	/nfs/dbraw/zinc/79/60/43/671796043.db2.gz	CBNNVGRCONYFOX-UHFFFAOYSA-N	-1	0	312.347	0.824	20	30		DCEDRM
Cc1ccc(-c2cc(C(=O)[N-]S(=O)(=O)CCC#N)[nH]n2)o1	ZINC000835411455	671796064	/nfs/dbraw/zinc/79/60/64/671796064.db2.gz	MXHOEYCUMNRTCA-UHFFFAOYSA-N	-1	0	308.319	0.951	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@](O)(CC#N)C1	ZINC000844020133	672138620	/nfs/dbraw/zinc/13/86/20/672138620.db2.gz	WYLOAWIGQQVHBY-NSHDSACASA-N	-1	0	307.272	0.321	20	30		DCEDRM
C#C[C@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F	ZINC000867342815	672142369	/nfs/dbraw/zinc/14/23/69/672142369.db2.gz	DNMZEWNIWWLVKS-HOGDKLEQSA-N	-1	0	320.367	0.111	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000844782521	672202351	/nfs/dbraw/zinc/20/23/51/672202351.db2.gz	AYHMAYIEHGDCOM-MRVPVSSYSA-N	-1	0	313.335	0.981	20	30		DCEDRM
COC1(C(=O)[O-])CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1	ZINC000844799353	672203720	/nfs/dbraw/zinc/20/37/20/672203720.db2.gz	BNKWCWXXGSQZLE-SNVBAGLBSA-N	-1	0	319.383	0.031	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000844802098	672204246	/nfs/dbraw/zinc/20/42/46/672204246.db2.gz	VDWNGLFAYSCKLJ-JTQLQIEISA-N	-1	0	302.333	0.142	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)cn1	ZINC000844819094	672204685	/nfs/dbraw/zinc/20/46/85/672204685.db2.gz	XSZIMRDSUVJBNT-UHFFFAOYSA-N	-1	0	308.359	0.879	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccccc1C(=O)N(C)C	ZINC000846152068	672297869	/nfs/dbraw/zinc/29/78/69/672297869.db2.gz	MSPSYSBANANHSO-JTQLQIEISA-N	-1	0	305.334	0.949	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1	ZINC000846155285	672297946	/nfs/dbraw/zinc/29/79/46/672297946.db2.gz	FRNVNZWSEHVKJJ-RNCFNFMXSA-N	-1	0	319.317	0.472	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCCOC)nc1	ZINC000846152373	672297952	/nfs/dbraw/zinc/29/79/52/672297952.db2.gz	SQQYCCAWZLAMMC-JTQLQIEISA-N	-1	0	309.322	0.668	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(C(=O)NC)c1C	ZINC000846152188	672297964	/nfs/dbraw/zinc/29/79/64/672297964.db2.gz	PZGYGXMERDLQNR-VIFPVBQESA-N	-1	0	305.334	0.915	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)c3cccn32)CC1	ZINC000793196793	685343611	/nfs/dbraw/zinc/34/36/11/685343611.db2.gz	ZLXIPRKIRMQDAT-LLVKDONJSA-N	-1	0	321.358	0.755	20	30		DCEDRM
CO[C@@](C)(C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CC1	ZINC000813985618	685351633	/nfs/dbraw/zinc/35/16/33/685351633.db2.gz	IHYXLASLCAGUAK-CYBMUJFWSA-N	-1	0	309.347	0.573	20	30		DCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)N[C@@]1(C(=O)[O-])CCOC1	ZINC000833092088	685359875	/nfs/dbraw/zinc/35/98/75/685359875.db2.gz	NYVZZZKIUFOFET-HNNXBMFYSA-N	-1	0	303.270	0.127	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)[C@H]1CCOC1	ZINC000850930892	685370957	/nfs/dbraw/zinc/37/09/57/685370957.db2.gz	ZJLNXXLGBIPJEL-UWVGGRQHSA-N	-1	0	304.368	0.034	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cnc2n1CCOC2	ZINC000850930216	685370693	/nfs/dbraw/zinc/37/06/93/685370693.db2.gz	SCINIKBGHYRBAG-UHFFFAOYSA-N	-1	0	312.351	0.023	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)c1[O-]	ZINC001011738311	691616374	/nfs/dbraw/zinc/61/63/74/691616374.db2.gz	FRGOYBCJSSWQIZ-JQWIXIFHSA-N	-1	0	316.361	0.556	20	30		DCEDRM
C=C(Cl)CN1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001015809904	692452199	/nfs/dbraw/zinc/45/21/99/692452199.db2.gz	WSCJVBCOTMNXOH-JTQLQIEISA-N	-1	0	321.768	0.579	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1	ZINC001570816693	1162624997	/nfs/dbraw/zinc/62/49/97/1162624997.db2.gz	FJUWMDYWJWXFKN-NSHDSACASA-N	-1	0	312.329	0.752	20	30		DCEDRM
N#Cc1nc(NC(=O)C#Cc2ccc3c(c2)OCO3)[n-]c1C#N	ZINC001570861222	1162635758	/nfs/dbraw/zinc/63/57/58/1162635758.db2.gz	RSZGTJRAPISVAY-UHFFFAOYSA-N	-1	0	305.253	0.872	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@@H]1C	ZINC001572369007	1163147971	/nfs/dbraw/zinc/14/79/71/1163147971.db2.gz	XPIUODAWNCSKED-GHMZBOCLSA-N	-1	0	322.365	0.346	20	30		DCEDRM
C=CCONC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC001569150857	1160960535	/nfs/dbraw/zinc/96/05/35/1160960535.db2.gz	PBRRSLIBCIJRAT-UHFFFAOYSA-N	-1	0	301.306	0.724	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2ccc(C#N)o2)CCO1	ZINC001573606854	1163516105	/nfs/dbraw/zinc/51/61/05/1163516105.db2.gz	ZBHYEWBIELZCMN-NSHDSACASA-N	-1	0	300.292	0.015	20	30		DCEDRM
CCn1cc(C#N)c(NC(=O)N[C@H](C(N)=O)C(C)C)c1C(=O)[O-]	ZINC001573844994	1163565106	/nfs/dbraw/zinc/56/51/06/1163565106.db2.gz	SGEOVEJPLQKKGJ-VIFPVBQESA-N	-1	0	321.337	0.709	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO	ZINC001574149015	1163648525	/nfs/dbraw/zinc/64/85/25/1163648525.db2.gz	GZZRKOIKQJROPO-YPMHNXCESA-N	-1	0	303.318	0.567	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2C3CCC(CC3)[C@H]2C(=O)[O-])c1	ZINC001574249637	1163674388	/nfs/dbraw/zinc/67/43/88/1163674388.db2.gz	YVKAMCWDCNPHOJ-XIVSLSHWSA-N	-1	0	321.358	0.970	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)NCc1[nH]cnc1C(=O)[O-]	ZINC001574249566	1163674793	/nfs/dbraw/zinc/67/47/93/1163674793.db2.gz	XPVPOBLAMPYTDX-UHFFFAOYSA-N	-1	0	312.332	0.520	20	30		DCEDRM
C[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1nnc2n1CCC2	ZINC001575445964	1164019010	/nfs/dbraw/zinc/01/90/10/1164019010.db2.gz	SKXGEIWLEIQRII-ZETCQYMHSA-N	-1	0	323.324	0.239	20	30		DCEDRM
CN(c1cnc(C#N)c(-c2nnn[n-]2)n1)[C@@H]1CCCC[C@H]1O	ZINC001579286524	1165260702	/nfs/dbraw/zinc/26/07/02/1165260702.db2.gz	KKYUZJBUKWJHSV-NXEZZACHSA-N	-1	0	300.326	0.268	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@H](C)NC(=O)c1c(C)nc[nH]c1=O	ZINC001579857510	1165413025	/nfs/dbraw/zinc/41/30/25/1165413025.db2.gz	SVZRLDBIKBAGEV-VIFPVBQESA-N	-1	0	306.366	0.937	20	30		DCEDRM
Cc1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cc1O	ZINC001581174615	1165793726	/nfs/dbraw/zinc/79/37/26/1165793726.db2.gz	ZFBJPTIJHSPQAY-UHFFFAOYSA-N	-1	0	310.277	0.728	20	30		DCEDRM
Cc1nsc(N(C)CCNC(=O)[C@@H](C)C#N)c1-c1nn[nH]n1	ZINC001581664265	1165856377	/nfs/dbraw/zinc/85/63/77/1165856377.db2.gz	QZSFGGDMNRAJRE-ZETCQYMHSA-N	-1	0	320.382	0.344	20	30		DCEDRM
N#CCC1(O)CN(CCOc2cccc(-c3nn[nH]n3)c2)C1	ZINC001581858106	1165888881	/nfs/dbraw/zinc/88/88/81/1165888881.db2.gz	QOLUMJFAXOQNNQ-UHFFFAOYSA-N	-1	0	300.322	0.206	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCC3(C2)OCCO3)nc1-c1nnn[n-]1	ZINC001581882473	1165902203	/nfs/dbraw/zinc/90/22/03/1165902203.db2.gz	ABKANCZQNJQGIK-MRVPVSSYSA-N	-1	0	314.309	0.236	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@H](c3ncc[nH]3)C2)nc1-c1nnn[n-]1	ZINC001581882378	1165902274	/nfs/dbraw/zinc/90/22/74/1165902274.db2.gz	WDORQUROROQYJB-VIFPVBQESA-N	-1	0	322.336	0.635	20	30		DCEDRM
N#Cc1ncc(Nc2ccc3c(c2)CC(=O)N3)nc1-c1nnn[n-]1	ZINC001581884794	1165904638	/nfs/dbraw/zinc/90/46/38/1165904638.db2.gz	BDJSNTSVFHTGSE-UHFFFAOYSA-N	-1	0	319.288	0.767	20	30		DCEDRM
C#C[C@@H]1CCCC[C@@H]1OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588332804	1166529411	/nfs/dbraw/zinc/52/94/11/1166529411.db2.gz	SKLUSBWDIDPTQD-MXWKQRLJSA-N	-1	0	315.337	0.754	20	30		DCEDRM
C=CC(C)(C)CCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001588486902	1166557129	/nfs/dbraw/zinc/55/71/29/1166557129.db2.gz	MAQKLBWHNURGQK-UHFFFAOYSA-N	-1	0	319.373	0.360	20	30		DCEDRM
C=CCNC(=S)N1CCc2[nH]c(=O)c(-c3nnn[n-]3)cc2C1	ZINC001588663902	1166578797	/nfs/dbraw/zinc/57/87/97/1166578797.db2.gz	QEWOERZMEVEHFE-UHFFFAOYSA-N	-1	0	317.378	0.386	20	30		DCEDRM
C[C@@H](C(=O)NCC(C)(C)CCC#N)n1cnc(-c2nnn[n-]2)n1	ZINC001588980326	1166624896	/nfs/dbraw/zinc/62/48/96/1166624896.db2.gz	XSCBARLDCNGCAO-VIFPVBQESA-N	-1	0	317.357	0.465	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1	ZINC001589412782	1166657305	/nfs/dbraw/zinc/65/73/05/1166657305.db2.gz	RPSHKURQDIVCSD-LLVKDONJSA-N	-1	0	313.369	0.327	20	30		DCEDRM
CC(C)OCCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001589749081	1166681266	/nfs/dbraw/zinc/68/12/66/1166681266.db2.gz	WOSUWBZDOIXBFP-UHFFFAOYSA-N	-1	0	304.314	0.605	20	30		DCEDRM
COC[C@@H](C#N)OC(=O)c1ccc(-c2nn[nH]n2)c(OC)c1	ZINC001591367726	1167239373	/nfs/dbraw/zinc/23/93/73/1167239373.db2.gz	KSSDLUJQADQEGV-SECBINFHSA-N	-1	0	303.278	0.571	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)c1ncc(-c2nn[nH]n2)cc1C	ZINC001591367746	1167240540	/nfs/dbraw/zinc/24/05/40/1167240540.db2.gz	MNIBRHOSBGZAGJ-ZDUSSCGKSA-N	-1	0	301.310	0.229	20	30		DCEDRM
CO[C@@H]1CCCC[C@H]1Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001591467189	1167300042	/nfs/dbraw/zinc/30/00/42/1167300042.db2.gz	AQBRBGCCUAABDA-PSASIEDQSA-N	-1	0	300.326	0.898	20	30		DCEDRM
Cc1cc(C)n(N=Cc2ccc(N)nc2)c(=O)c1-c1nnn[n-]1	ZINC001591956975	1167425945	/nfs/dbraw/zinc/42/59/45/1167425945.db2.gz	NRYLIOCNXAEQCE-UHFFFAOYSA-N	-1	0	310.321	0.505	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2c(C)nn(C)c2N)o1	ZINC001592339209	1167493407	/nfs/dbraw/zinc/49/34/07/1167493407.db2.gz	YUQCOFPFIAFJOE-UHFFFAOYSA-N	-1	0	302.302	0.233	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1C[C@@H]1C[C@@H]2CCC[C@@H]2O1	ZINC001592682062	1167600765	/nfs/dbraw/zinc/60/07/65/1167600765.db2.gz	OHFBLUNBNUVTKQ-NRPADANISA-N	-1	0	300.326	0.475	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@@H](c3cc[nH]n3)C2)nc1-c1nnn[n-]1	ZINC001592708440	1167607444	/nfs/dbraw/zinc/60/74/44/1167607444.db2.gz	RHWRYORWOYPJNF-SECBINFHSA-N	-1	0	322.336	0.635	20	30		DCEDRM
Cc1cc(NC(=O)N2CC[C@](O)(CC#N)C2)ncc1C(=O)[O-]	ZINC001600260111	1168150831	/nfs/dbraw/zinc/15/08/31/1168150831.db2.gz	HMSHQBMNJBHBLT-CQSZACIVSA-N	-1	0	304.306	0.971	20	30		DCEDRM
Cc1ccccc1CCNC(=O)CN(CC#N)CCC(=O)[O-]	ZINC001600579762	1168202033	/nfs/dbraw/zinc/20/20/33/1168202033.db2.gz	KZXGPCIJLIYMPX-UHFFFAOYSA-N	-1	0	303.362	0.954	20	30		DCEDRM
Cc1ccnc2nc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)nn21	ZINC001600601588	1168209948	/nfs/dbraw/zinc/20/99/48/1168209948.db2.gz	JITYUCFOOGZCHL-UHFFFAOYSA-N	-1	0	314.305	0.263	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001600927400	1168510764	/nfs/dbraw/zinc/51/07/64/1168510764.db2.gz	IBWDPXVKFCMKRB-XHDPSFHLSA-N	-1	0	303.318	0.460	20	30		DCEDRM
Cn1cc(C(=O)[O-])cc1S(=O)(=O)N(CCC#N)CCC#N	ZINC001600941123	1168522272	/nfs/dbraw/zinc/52/22/72/1168522272.db2.gz	RWQJEYBRUBEVHO-UHFFFAOYSA-N	-1	0	310.335	0.541	20	30		DCEDRM
Cn1ncc(C(=O)[O-])c1NC(=O)NCC1(C#N)CCOCC1	ZINC001601025646	1168569922	/nfs/dbraw/zinc/56/99/22/1168569922.db2.gz	YOASWSWMKYFYGU-UHFFFAOYSA-N	-1	0	307.310	0.560	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CC1	ZINC001601051757	1168577501	/nfs/dbraw/zinc/57/75/01/1168577501.db2.gz	SQYUARPOSCUOTR-NWBUJAPZSA-N	-1	0	319.361	0.810	20	30		DCEDRM
N#C[C@@]1(C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])CCCOC1	ZINC001601050501	1168577627	/nfs/dbraw/zinc/57/76/27/1168577627.db2.gz	RJQHWVGBUNBSLW-CJNGLKHVSA-N	-1	0	318.329	0.955	20	30		DCEDRM
N#CC1(CC(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)CCOCC1	ZINC001601055358	1168578130	/nfs/dbraw/zinc/57/81/30/1168578130.db2.gz	WNEOKTIJZXVPKB-LLVKDONJSA-N	-1	0	324.333	0.316	20	30		DCEDRM
N#C[C@]1(F)CCN(S(=O)(=O)C2CCC(C(=O)[O-])CC2)C1	ZINC001601056926	1168578269	/nfs/dbraw/zinc/57/82/69/1168578269.db2.gz	FJLBQDIJLYMPNM-RTYFJBAXSA-N	-1	0	304.343	0.897	20	30		DCEDRM
N#CC1(NC(=O)CN2CCC([C@@H](O)C(=O)[O-])CC2)CCCCC1	ZINC001601056779	1168578583	/nfs/dbraw/zinc/57/85/83/1168578583.db2.gz	AHHYGAWYKHYQCZ-CQSZACIVSA-N	-1	0	323.393	0.487	20	30		DCEDRM
N#CC1CCC(CN2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CC1	ZINC001601057902	1168579234	/nfs/dbraw/zinc/57/92/34/1168579234.db2.gz	FNXZVCHEJOJVGV-WLBBICOFSA-N	-1	0	305.334	0.957	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])C1	ZINC001601063582	1168579871	/nfs/dbraw/zinc/57/98/71/1168579871.db2.gz	ZMCLPMJYDGORNZ-UHFFFAOYSA-N	-1	0	310.331	0.175	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1	ZINC001601064488	1168580084	/nfs/dbraw/zinc/58/00/84/1168580084.db2.gz	YWFPEALUMIHJTC-DGCLKSJQSA-N	-1	0	321.377	0.756	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@@H](n1cccn1)C(F)(F)F	ZINC001601069025	1168580348	/nfs/dbraw/zinc/58/03/48/1168580348.db2.gz	AEDGLHPMROZAOQ-MRVPVSSYSA-N	-1	0	304.228	0.813	20	30		DCEDRM
N#CCCc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC001601068709	1168580647	/nfs/dbraw/zinc/58/06/47/1168580647.db2.gz	NDJHYPUGTTWYBC-ZDUSSCGKSA-N	-1	0	324.358	0.617	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1	ZINC001601074105	1168581911	/nfs/dbraw/zinc/58/19/11/1168581911.db2.gz	XZBOJPKMDDAXQL-HNNXBMFYSA-N	-1	0	304.302	0.179	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001601078579	1168583063	/nfs/dbraw/zinc/58/30/63/1168583063.db2.gz	QGLDTJUCNVTEOC-LLVKDONJSA-N	-1	0	310.331	0.227	20	30		DCEDRM
N#CCc1ccnc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c1	ZINC001601077900	1168583128	/nfs/dbraw/zinc/58/31/28/1168583128.db2.gz	DYVLTBJVGCEVCS-NSHDSACASA-N	-1	0	316.317	0.409	20	30		DCEDRM
N#Cc1c(N)c(NC(=O)Cn2ccc(C(=O)[O-])n2)ccc1F	ZINC001601082987	1168583145	/nfs/dbraw/zinc/58/31/45/1168583145.db2.gz	VKBWUUJMNGXCIZ-UHFFFAOYSA-N	-1	0	303.253	0.813	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CC(=O)NCc2ccco2)c1=O	ZINC001601086394	1168583538	/nfs/dbraw/zinc/58/35/38/1168583538.db2.gz	NYWFJVKXTPPMOG-UHFFFAOYSA-N	-1	0	301.258	0.328	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CC(c2cc(C(=O)[O-])n[nH]2)C1	ZINC001601091052	1168583887	/nfs/dbraw/zinc/58/38/87/1168583887.db2.gz	JKRFIJROKVJBSW-UHFFFAOYSA-N	-1	0	314.261	0.887	20	30		DCEDRM
N#Cc1ccc(-c2nnc(CN[C@H]3CCO[C@H]3C(=O)[O-])o2)cc1	ZINC001601092708	1168583946	/nfs/dbraw/zinc/58/39/46/1168583946.db2.gz	KAFYBHQUXYWSNZ-WCQYABFASA-N	-1	0	314.301	0.940	20	30		DCEDRM
N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H](CO)C(=O)[O-])C2)c(F)c1	ZINC001601104571	1168585712	/nfs/dbraw/zinc/58/57/12/1168585712.db2.gz	LEVBVBDVVUIDNI-JQWIXIFHSA-N	-1	0	321.308	0.085	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)[C@@H]2CC[C@H](C(N)=O)O2)C(=O)[O-])c1	ZINC001601117217	1168587547	/nfs/dbraw/zinc/58/75/47/1168587547.db2.gz	ICPGPQUDBIOEER-WOPDTQHZSA-N	-1	0	318.285	0.260	20	30		DCEDRM
N#Cc1cccc2[nH]cc(C(=O)N[C@H](Cn3cncn3)C(=O)[O-])c21	ZINC001601124634	1168588153	/nfs/dbraw/zinc/58/81/53/1168588153.db2.gz	PLFWNFGKUPPFQC-GFCCVEGCSA-N	-1	0	324.300	0.514	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c1	ZINC001601121790	1168588673	/nfs/dbraw/zinc/58/86/73/1168588673.db2.gz	UZESXLHHYYHMPJ-HNNXBMFYSA-N	-1	0	318.329	0.621	20	30		DCEDRM
N#Cc1ccccc1CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001601126372	1168589690	/nfs/dbraw/zinc/58/96/90/1168589690.db2.gz	WCDKGJFPXCTACR-HUUCEWRRSA-N	-1	0	313.357	0.923	20	30		DCEDRM
N#Cc1ccncc1N1CCN(c2cc(C(=O)[O-])ncn2)CC1	ZINC001601128669	1168590359	/nfs/dbraw/zinc/59/03/59/1168590359.db2.gz	RXHZUMAQNVIRTA-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1cnc(NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c(F)c1	ZINC001601129957	1168590886	/nfs/dbraw/zinc/59/08/86/1168590886.db2.gz	BPRRAWYDTABAAK-ZJUUUORDSA-N	-1	0	318.308	0.874	20	30		DCEDRM
N#Cc1csc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1	ZINC001601131341	1168591002	/nfs/dbraw/zinc/59/10/02/1168591002.db2.gz	WSBMHSKHAMUFGB-VIFPVBQESA-N	-1	0	307.331	0.425	20	30		DCEDRM
N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1	ZINC001601130100	1168591063	/nfs/dbraw/zinc/59/10/63/1168591063.db2.gz	JWFYXFRYUKXPFK-UUTMEEIUSA-N	-1	0	301.306	0.128	20	30		DCEDRM
N#Cc1csc(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)n1	ZINC001601132015	1168593367	/nfs/dbraw/zinc/59/33/67/1168593367.db2.gz	BFUXFNVPYRDHHU-UHFFFAOYSA-N	-1	0	315.376	0.689	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001601135569	1168594443	/nfs/dbraw/zinc/59/44/43/1168594443.db2.gz	DLJCFWLUWQZISV-YUMQZZPRSA-N	-1	0	316.360	0.076	20	30		DCEDRM
O=C([O-])[C@]1(O)CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)C1	ZINC001601238869	1168672560	/nfs/dbraw/zinc/67/25/60/1168672560.db2.gz	PPTSKHVFCWLXRW-VFQAQYNWSA-N	-1	0	307.277	0.456	20	30		DCEDRM
O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC001601760427	1168859016	/nfs/dbraw/zinc/85/90/16/1168859016.db2.gz	MIPIFPMHYJDQCE-VXGBXAGGSA-N	-1	0	317.297	0.061	20	30		DCEDRM
O=C([O-])Cc1ccc(S(=O)(=O)O[C@H]2CNOC2)cc1F	ZINC001602132313	1169000275	/nfs/dbraw/zinc/00/02/75/1169000275.db2.gz	TYCVEGIJLICMKV-QMMMGPOBSA-N	-1	0	305.283	0.062	20	30		DCEDRM
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1cccc(C#CCO)c1	ZINC001602211141	1169032904	/nfs/dbraw/zinc/03/29/04/1169032904.db2.gz	GFYQKPTVWCCKHE-GFCCVEGCSA-N	-1	0	309.268	0.965	20	30		DCEDRM
O=C([O-])c1cc(C=NNC(=S)NCCc2ccccn2)on1	ZINC001602254601	1169044042	/nfs/dbraw/zinc/04/40/42/1169044042.db2.gz	DKLOEZNRHZEWDV-UHFFFAOYSA-N	-1	0	319.346	0.809	20	30		DCEDRM
O=C([O-])c1cnc(N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)nc1	ZINC001602535726	1169110350	/nfs/dbraw/zinc/11/03/50/1169110350.db2.gz	JZDDTJSARBKXJT-CYBMUJFWSA-N	-1	0	314.345	0.991	20	30		DCEDRM
O=C([O-])c1nccc(NC[C@@H]2CCCN2C(=O)C#CC2CC2)n1	ZINC001602575474	1169123642	/nfs/dbraw/zinc/12/36/42/1169123642.db2.gz	YNFGYDBTTFZPSH-LBPRGKRZSA-N	-1	0	314.345	0.413	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)[O-]	ZINC001602685343	1169158363	/nfs/dbraw/zinc/15/83/63/1169158363.db2.gz	RUHPCCJYOHNHBN-KGLIPLIRSA-N	-1	0	314.341	0.884	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)[O-]	ZINC001602692489	1169162487	/nfs/dbraw/zinc/16/24/87/1169162487.db2.gz	NUGWLXJEZSETKM-QMMMGPOBSA-N	-1	0	306.230	0.530	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)[O-]	ZINC001602691983	1169163100	/nfs/dbraw/zinc/16/31/00/1169163100.db2.gz	GDSIFKCHZZNFLT-NSHDSACASA-N	-1	0	305.290	0.867	20	30		DCEDRM
C#C[C@H]1CCCCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001602696238	1169162990	/nfs/dbraw/zinc/16/29/90/1169162990.db2.gz	GEDTURQBOMQWAP-JTQLQIEISA-N	-1	0	318.362	0.438	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001602701178	1169163965	/nfs/dbraw/zinc/16/39/65/1169163965.db2.gz	AFTMMUHBEQXROM-VIFPVBQESA-N	-1	0	306.322	0.423	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)CCCCCC(=O)OC)C(=O)[O-]	ZINC001602698615	1169164245	/nfs/dbraw/zinc/16/42/45/1169164245.db2.gz	NSHNFZKTLMZYDI-SNVBAGLBSA-N	-1	0	305.352	0.116	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl	ZINC001602702345	1169166375	/nfs/dbraw/zinc/16/63/75/1169166375.db2.gz	FZSKFOXOQZSWMZ-SECBINFHSA-N	-1	0	320.740	0.419	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC001602701649	1169166507	/nfs/dbraw/zinc/16/65/07/1169166507.db2.gz	RMTCOCZDJDDLTQ-SECBINFHSA-N	-1	0	315.347	0.593	20	30		DCEDRM
C#CCN(CC#N)C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001602715842	1169168712	/nfs/dbraw/zinc/16/87/12/1169168712.db2.gz	UZJHDZHXJLRYGV-LLVKDONJSA-N	-1	0	323.349	0.730	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)Nc2cccc(C(=O)[O-])n2)C1	ZINC001602721129	1169172537	/nfs/dbraw/zinc/17/25/37/1169172537.db2.gz	WZPRQKHBRVYTBH-NSHDSACASA-N	-1	0	302.334	0.999	20	30		DCEDRM
C#CCOCCC(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1	ZINC001602727609	1169174579	/nfs/dbraw/zinc/17/45/79/1169174579.db2.gz	BIPWJYXPLQKXLS-UHFFFAOYSA-N	-1	0	301.302	0.917	20	30		DCEDRM
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c(F)c1	ZINC001602739505	1169175885	/nfs/dbraw/zinc/17/58/85/1169175885.db2.gz	GVRGQWGDVLZKFS-ZETCQYMHSA-N	-1	0	310.256	0.722	20	30		DCEDRM
C#Cc1ccc(C(=O)NC[C@@H](C)Nc2ccnc(C(=O)[O-])n2)cc1	ZINC001602739338	1169176054	/nfs/dbraw/zinc/17/60/54/1169176054.db2.gz	CQKUVYKQHWDXNZ-LLVKDONJSA-N	-1	0	324.340	0.808	20	30		DCEDRM
C#Cc1cncc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)OC)c1	ZINC001602743252	1169176648	/nfs/dbraw/zinc/17/66/48/1169176648.db2.gz	KCBHRZUNOZAVFZ-AAEUAGOBSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)[O-]	ZINC001602749349	1169177325	/nfs/dbraw/zinc/17/73/25/1169177325.db2.gz	STACUZGCJATTAO-SECBINFHSA-N	-1	0	306.384	0.240	20	30		DCEDRM
C#Cc1cncc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1	ZINC001602744987	1169177458	/nfs/dbraw/zinc/17/74/58/1169177458.db2.gz	VRNCRDUNRZQKIX-ZDUSSCGKSA-N	-1	0	317.345	0.408	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1occc1C(=O)[O-])C(=O)OC	ZINC001602757222	1169179824	/nfs/dbraw/zinc/17/98/24/1169179824.db2.gz	IHLHDGOHSSHZKH-VIFPVBQESA-N	-1	0	317.319	0.764	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(CCOCCOC)CC1	ZINC001602777847	1169182781	/nfs/dbraw/zinc/18/27/81/1169182781.db2.gz	GMWCFCFABJOURD-UHFFFAOYSA-N	-1	0	314.382	0.215	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCC(=O)N1CCOc2ccccc21	ZINC001602781634	1169183562	/nfs/dbraw/zinc/18/35/62/1169183562.db2.gz	ANSHYWAWXITXEF-UHFFFAOYSA-N	-1	0	318.329	0.949	20	30		DCEDRM
C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C[C@H]2C1	ZINC001602805822	1169186897	/nfs/dbraw/zinc/18/68/97/1169186897.db2.gz	KRZAXHOSXNJFHJ-QNWHQSFQSA-N	-1	0	320.389	0.836	20	30		DCEDRM
C=CCCC[C@@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001602834386	1169191314	/nfs/dbraw/zinc/19/13/14/1169191314.db2.gz	RNSMAADKWHUXOW-NXEZZACHSA-N	-1	0	304.358	0.880	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O)C(=O)[O-]	ZINC001602864214	1169197155	/nfs/dbraw/zinc/19/71/55/1169197155.db2.gz	ZAQCTUSXFGFDLU-DLOVCJGASA-N	-1	0	312.366	0.188	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-]	ZINC001602913052	1169202774	/nfs/dbraw/zinc/20/27/74/1169202774.db2.gz	HKDMDAKRIDAQKR-JTQLQIEISA-N	-1	0	306.274	0.919	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cn(C2CC2)c(C)cc1=O)C(=O)[O-]	ZINC001602913186	1169203067	/nfs/dbraw/zinc/20/30/67/1169203067.db2.gz	LIFMBKGIYLNSRX-ZDUSSCGKSA-N	-1	0	320.345	0.877	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnc2cc(OC)ccn21)C(=O)[O-]	ZINC001602913054	1169203376	/nfs/dbraw/zinc/20/33/76/1169203376.db2.gz	HLNHTOJPWOZKPQ-LLVKDONJSA-N	-1	0	319.317	0.729	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-]	ZINC001602913053	1169203644	/nfs/dbraw/zinc/20/36/44/1169203644.db2.gz	HKDMDAKRIDAQKR-SNVBAGLBSA-N	-1	0	306.274	0.919	20	30		DCEDRM
C=CCOCCNC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001602915300	1169204976	/nfs/dbraw/zinc/20/49/76/1169204976.db2.gz	JNCITPDJQLTWQN-UHFFFAOYSA-N	-1	0	323.353	0.525	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc2c(c1)nc[nH]c2=O)C(=O)[O-]	ZINC001602913273	1169204983	/nfs/dbraw/zinc/20/49/83/1169204983.db2.gz	MOQDBRFYYCBJLK-LBPRGKRZSA-N	-1	0	317.301	0.721	20	30		DCEDRM
C=CCc1cc(C(=O)N[C@@H](CO)C(=O)[O-])cc(OC)c1OC	ZINC001602926233	1169208579	/nfs/dbraw/zinc/20/85/79/1169208579.db2.gz	WUWYBUGZAZTETD-NSHDSACASA-N	-1	0	309.318	0.608	20	30		DCEDRM
C=CCS(=O)(=O)C[C@H](O)COc1ccc(C(=O)[O-])cc1	ZINC001602924835	1169209950	/nfs/dbraw/zinc/20/99/50/1169209950.db2.gz	HNHIVXLIJSGWOW-LLVKDONJSA-N	-1	0	300.332	0.725	20	30		DCEDRM
C=CCn1c(-c2c[nH]cn2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602931177	1169210409	/nfs/dbraw/zinc/21/04/09/1169210409.db2.gz	OBHGCOVITHNGBD-SNVBAGLBSA-N	-1	0	304.310	0.144	20	30		DCEDRM
C=CCn1c([C@H]2CC=NO2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602932277	1169210562	/nfs/dbraw/zinc/21/05/62/1169210562.db2.gz	NHFMKMYKWXMEGR-NXEZZACHSA-N	-1	0	307.310	0.201	20	30		DCEDRM
C=CCn1c([C@H](O)CC)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001602932098	1169210929	/nfs/dbraw/zinc/21/09/29/1169210929.db2.gz	JRECUZQAKYYWLK-GHMZBOCLSA-N	-1	0	310.354	0.587	20	30		DCEDRM
C=CCn1c(=O)[nH]nc1S[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001602936971	1169211739	/nfs/dbraw/zinc/21/17/39/1169211739.db2.gz	LJJQSFLOXNMAKI-ZETCQYMHSA-N	-1	0	301.324	0.668	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC001602947166	1169218737	/nfs/dbraw/zinc/21/87/37/1169218737.db2.gz	PGORUTBRPFYSST-UHFFFAOYSA-N	-1	0	302.330	0.825	20	30		DCEDRM
CC(=O)N[C@@H](C[S@](=O)Cc1ccc(C)c(C#N)c1)C(=O)[O-]	ZINC001603055388	1169241164	/nfs/dbraw/zinc/24/11/64/1169241164.db2.gz	NCOCKRRVKRXFDO-YEJXKQKISA-N	-1	0	308.359	0.705	20	30		DCEDRM
C[C@@H](C#N)C(=O)N(C)C1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001603130075	1169249873	/nfs/dbraw/zinc/24/98/73/1169249873.db2.gz	QOHBNLMCULQEEH-JTQLQIEISA-N	-1	0	317.349	0.762	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@H]2C1	ZINC001603129890	1169250449	/nfs/dbraw/zinc/25/04/49/1169250449.db2.gz	ODNAYIOYIUBRMN-ZMLRMANQSA-N	-1	0	315.333	0.229	20	30		DCEDRM
C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccn1)n1cnc(C#N)n1	ZINC001603153042	1169258174	/nfs/dbraw/zinc/25/81/74/1169258174.db2.gz	GMCITAOWUZUUCY-LDYMZIIASA-N	-1	0	300.278	0.048	20	30		DCEDRM
C[C@@](CO)(NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC001604198115	1169522184	/nfs/dbraw/zinc/52/21/84/1169522184.db2.gz	BCAHACOHERTATL-NSHDSACASA-N	-1	0	318.738	0.326	20	30		DCEDRM
CCOC(=O)CCCCn1c(C)nc(-c2nnn[n-]2)c1C#N	ZINC001604373820	1169574906	/nfs/dbraw/zinc/57/49/06/1169574906.db2.gz	ICIOKAJHBQWDOO-UHFFFAOYSA-N	-1	0	303.326	0.977	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2ccoc2CC(=O)[O-])C[C@@H](C)N1CC#N	ZINC001604784203	1169680774	/nfs/dbraw/zinc/68/07/74/1169680774.db2.gz	WBXXLTHYXWQWRN-GHMZBOCLSA-N	-1	0	305.334	0.965	20	30		DCEDRM
COC(=O)CC1CC(Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001604933982	1169753249	/nfs/dbraw/zinc/75/32/49/1169753249.db2.gz	MKXZYBWUSSREIW-UHFFFAOYSA-N	-1	0	314.309	0.282	20	30		DCEDRM
CCCN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H](C)C(=O)[O-]	ZINC001605298139	1169890498	/nfs/dbraw/zinc/89/04/98/1169890498.db2.gz	MDCWMCWVXMZBCU-NSHDSACASA-N	-1	0	317.345	1.000	20	30		DCEDRM
CN(C(=O)C(=O)N1CCC[C@H](CC#N)C1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001605952629	1170034791	/nfs/dbraw/zinc/03/47/91/1170034791.db2.gz	ZZAFOYCIQPUYDE-UTUOFQBUSA-N	-1	0	307.350	0.460	20	30		DCEDRM
Cc1cncc(C=CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC001605982678	1170040759	/nfs/dbraw/zinc/04/07/59/1170040759.db2.gz	DJGNKIIEWCZQEZ-NSCUHMNNSA-N	-1	0	321.304	0.817	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)NCC1(C#N)CCCCC1	ZINC001606105400	1170077335	/nfs/dbraw/zinc/07/73/35/1170077335.db2.gz	IYDXQQCTPJECKO-UHFFFAOYSA-N	-1	0	303.384	0.701	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1cn2ccccc2n1	ZINC001606017412	1170050900	/nfs/dbraw/zinc/05/09/00/1170050900.db2.gz	HKZMMHXNPQTLCD-UHFFFAOYSA-N	-1	0	305.305	0.939	20	30		DCEDRM
Cc1nc(C#N)c(-c2nn[nH]n2)n1Cc1cccnc1[N+](=O)[O-]	ZINC001606023940	1170054065	/nfs/dbraw/zinc/05/40/65/1170054065.db2.gz	OGZUNYGGIYRHFJ-UHFFFAOYSA-N	-1	0	311.265	0.595	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)c1cncc(C(=O)[O-])n1	ZINC001606125702	1170085456	/nfs/dbraw/zinc/08/54/56/1170085456.db2.gz	NOCJFZPAVFIRRS-UHFFFAOYSA-N	-1	0	301.310	0.421	20	30		DCEDRM
Cn1c(=O)[nH]c(NCC(C)(C)CCC#N)c(-c2nnn[n-]2)c1=O	ZINC001606205408	1170112705	/nfs/dbraw/zinc/11/27/05/1170112705.db2.gz	CQJPVMHNFHUDDM-UHFFFAOYSA-N	-1	0	318.341	0.408	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)cn1	ZINC001606367054	1170171920	/nfs/dbraw/zinc/17/19/20/1170171920.db2.gz	CCFFPWONEBWSBJ-UHFFFAOYSA-N	-1	0	321.300	0.786	20	30		DCEDRM
N#Cc1ncc(N2CC[C@H](c3ccccn3)C2)nc1-c1nnn[n-]1	ZINC001606397427	1170182856	/nfs/dbraw/zinc/18/28/56/1170182856.db2.gz	PWDMFFQQAFGBAP-JTQLQIEISA-N	-1	0	319.332	0.917	20	30		DCEDRM
COCCN(CCC#N)C(=O)COCc1ocnc1C(=O)[O-]	ZINC001606884687	1170322982	/nfs/dbraw/zinc/32/29/82/1170322982.db2.gz	KTHXFXWTRQZMQJ-UHFFFAOYSA-N	-1	0	311.294	0.278	20	30		DCEDRM
O=c1[nH]cc2c(c1-c1nnn[n-]1)CCCC2=NN1CCOCC1	ZINC001607088940	1170385961	/nfs/dbraw/zinc/38/59/61/1170385961.db2.gz	VHXXPCDHKLCQNT-UHFFFAOYSA-N	-1	0	315.337	0.340	20	30		DCEDRM
COc1ccc(OC)c(NC(=O)CN(CC#N)CCC(=O)[O-])c1	ZINC001607279627	1170422276	/nfs/dbraw/zinc/42/22/76/1170422276.db2.gz	HHYXFAINRBLQKR-UHFFFAOYSA-N	-1	0	321.333	0.943	20	30		DCEDRM
CSC1([C@H](C#N)N(C)C(=O)Cn2cc(C(=O)[O-])cn2)CC1	ZINC001607389466	1170443992	/nfs/dbraw/zinc/44/39/92/1170443992.db2.gz	HDTBXIFEJVNSBY-JTQLQIEISA-N	-1	0	308.363	0.827	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)Nc2nc3n(c2C#N)CCOC3)O[C@H]1C(=O)[O-]	ZINC001607444996	1170454561	/nfs/dbraw/zinc/45/45/61/1170454561.db2.gz	ZFZBVQUDHMCYPM-BCMRRPTOSA-N	-1	0	320.305	0.102	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001607459268	1170459248	/nfs/dbraw/zinc/45/92/48/1170459248.db2.gz	XQVIPTVNTZRBHK-UWVGGRQHSA-N	-1	0	303.318	0.195	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N2CCC(CC#N)CC2)C[C@]1(C)C(=O)[O-]	ZINC001607466742	1170460705	/nfs/dbraw/zinc/46/07/05/1170460705.db2.gz	LRERURQZLXBJLC-ZBEGNZNMSA-N	-1	0	321.377	0.708	20	30		DCEDRM
Cc1c(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cnn1CCC#N	ZINC001607505652	1170469725	/nfs/dbraw/zinc/46/97/25/1170469725.db2.gz	PRVWDIOKAKDUQX-NEPJUHHUSA-N	-1	0	306.322	0.155	20	30		DCEDRM
Cc1cc(CNC(=O)NCCn2cnc(C#N)n2)oc1C(=O)[O-]	ZINC001607643118	1170488499	/nfs/dbraw/zinc/48/84/99/1170488499.db2.gz	JXKICFSHSYOPDN-UHFFFAOYSA-N	-1	0	318.293	0.249	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)ncc1C#N	ZINC001607671038	1170492415	/nfs/dbraw/zinc/49/24/15/1170492415.db2.gz	JSTKPUHMROLSLI-ONGXEEELSA-N	-1	0	316.317	0.522	20	30		DCEDRM
Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NC[C@H](C)C#N	ZINC001607701376	1170497004	/nfs/dbraw/zinc/49/70/04/1170497004.db2.gz	FTBRLUROHQYQDM-SECBINFHSA-N	-1	0	319.317	0.673	20	30		DCEDRM
Cc1cc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)oc1C(=O)[O-]	ZINC001607703297	1170498384	/nfs/dbraw/zinc/49/83/84/1170498384.db2.gz	HZCOSMACMGTEJF-GFCCVEGCSA-N	-1	0	314.319	0.589	20	30		DCEDRM
Cc1nc(C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)ccc1C#N	ZINC001607949448	1170531855	/nfs/dbraw/zinc/53/18/55/1170531855.db2.gz	PGEMVPGMJSNEHL-SECBINFHSA-N	-1	0	315.289	0.856	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](O)CC(=O)[O-]	ZINC001608006257	1170546945	/nfs/dbraw/zinc/54/69/45/1170546945.db2.gz	RHWZIRNSOOKOGI-GFCCVEGCSA-N	-1	0	322.365	0.298	20	30		DCEDRM
Cc1nsc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c1C#N	ZINC001608030792	1170553939	/nfs/dbraw/zinc/55/39/39/1170553939.db2.gz	ZNWKYHJWCLCWFK-VHSXEESVSA-N	-1	0	320.374	0.693	20	30		DCEDRM
Cc1oc(C=NN[C@H]2CCCS(=O)(=O)C2)cc1C(=O)[O-]	ZINC001608043666	1170558022	/nfs/dbraw/zinc/55/80/22/1170558022.db2.gz	XTSOSIMIEBJVCO-VIFPVBQESA-N	-1	0	300.336	0.787	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)CCCn2ccc(C(=O)[O-])n2)n1	ZINC001608093394	1170569078	/nfs/dbraw/zinc/56/90/78/1170569078.db2.gz	FETMTKQLHLAUTK-UHFFFAOYSA-N	-1	0	302.294	0.605	20	30		DCEDRM
N#CC1(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CCOCC1	ZINC001608171683	1170608381	/nfs/dbraw/zinc/60/83/81/1170608381.db2.gz	FXHIVFODDWMELJ-JTQLQIEISA-N	-1	0	319.321	0.070	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1	ZINC001608176123	1170609034	/nfs/dbraw/zinc/60/90/34/1170609034.db2.gz	ULVSXFSVZBHTGM-JAPZVGMSSA-N	-1	0	323.324	0.066	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1	ZINC001608178934	1170610491	/nfs/dbraw/zinc/61/04/91/1170610491.db2.gz	TVBVTJXPNZHUDA-SNVBAGLBSA-N	-1	0	302.352	0.186	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cc(-n2ccnn2)ccc1F	ZINC001608185071	1170611725	/nfs/dbraw/zinc/61/17/25/1170611725.db2.gz	AUJLOZIQVNTDMI-UHFFFAOYSA-N	-1	0	317.280	0.847	20	30		DCEDRM
N#CCCNC(=O)CN1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21	ZINC001608184157	1170611746	/nfs/dbraw/zinc/61/17/46/1170611746.db2.gz	LTEWIHVYXFBNIA-LBPRGKRZSA-N	-1	0	307.281	0.508	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)Cc1ccc(Cl)nc1	ZINC001608186595	1170612349	/nfs/dbraw/zinc/61/23/49/1170612349.db2.gz	RUTDGDCIGQOJGN-UHFFFAOYSA-N	-1	0	317.754	0.865	20	30		DCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC001608197322	1170613574	/nfs/dbraw/zinc/61/35/74/1170613574.db2.gz	XUJCZSXMROLQHN-LLVKDONJSA-N	-1	0	314.294	0.171	20	30		DCEDRM
N#Cc1cc(CNS(=O)(=O)c2cc(C(=O)[O-])co2)ccn1	ZINC001608197309	1170613593	/nfs/dbraw/zinc/61/35/93/1170613593.db2.gz	VGMVAJNIBNQUTE-UHFFFAOYSA-N	-1	0	307.287	0.723	20	30		DCEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@@H](CC(N)=O)C2)cc1	ZINC001608199696	1170614226	/nfs/dbraw/zinc/61/42/26/1170614226.db2.gz	NUXPDNAJFFJLJM-GXTWGEPZSA-N	-1	0	303.318	0.260	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@H](O)CC(=O)[O-])cc1	ZINC001608205563	1170614968	/nfs/dbraw/zinc/61/49/68/1170614968.db2.gz	HTFVBPSJZCHCMP-KGLIPLIRSA-N	-1	0	317.345	0.479	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)c2cncc(C(=O)[O-])c2)nc1	ZINC001608208536	1170616115	/nfs/dbraw/zinc/61/61/15/1170616115.db2.gz	DSPRQZNSURSEGO-UHFFFAOYSA-N	-1	0	311.301	0.888	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](C(=O)[O-])C2)nc1	ZINC001608209884	1170616334	/nfs/dbraw/zinc/61/63/34/1170616334.db2.gz	UXYLVEUYSOEURA-LBPRGKRZSA-N	-1	0	323.374	0.524	20	30		DCEDRM
N#Cc1nccc(N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)n1	ZINC001608225084	1170619328	/nfs/dbraw/zinc/61/93/28/1170619328.db2.gz	DZKWMQJYAXVFKE-OAHLLOKOSA-N	-1	0	302.334	0.934	20	30		DCEDRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(CC#Cc2ccc(F)cc2)C1	ZINC001608610622	1170719293	/nfs/dbraw/zinc/71/92/93/1170719293.db2.gz	JEWDOMUSLDIPAO-LSDHHAIUSA-N	-1	0	316.332	0.698	20	30		DCEDRM
O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(CC#Cc2ccc(F)cc2)C1	ZINC001608610620	1170719418	/nfs/dbraw/zinc/71/94/18/1170719418.db2.gz	JEWDOMUSLDIPAO-GJZGRUSLSA-N	-1	0	316.332	0.698	20	30		DCEDRM
O=C([O-])C[C@H]1COCCN1C(=O)c1cccc(C#CCO)c1	ZINC001608700901	1170740146	/nfs/dbraw/zinc/74/01/46/1170740146.db2.gz	ALHGFFXEAXMWSZ-AWEZNQCLSA-N	-1	0	303.314	0.346	20	30		DCEDRM
O=C([O-])c1cc(C(=O)N[C@H]2CCCN(O)C2=O)cc([N+](=O)[O-])c1	ZINC001608836630	1170764266	/nfs/dbraw/zinc/76/42/66/1170764266.db2.gz	LOYXDPXZBBDZGG-JTQLQIEISA-N	-1	0	323.261	0.403	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1	ZINC001609019329	1170785045	/nfs/dbraw/zinc/78/50/45/1170785045.db2.gz	RIWZTCOQIQJFDO-QMMMGPOBSA-N	-1	0	316.296	0.424	20	30		DCEDRM
O=C([O-])[C@]1(C(=O)N[C@@H]2CCCN(O)C2=O)C[C@H]1c1ccccc1	ZINC001609030904	1170788175	/nfs/dbraw/zinc/78/81/75/1170788175.db2.gz	HKVYYHAZAUHTAY-HWWQOWPSSA-N	-1	0	318.329	0.741	20	30		DCEDRM
C#CC1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1	ZINC001609058000	1170794812	/nfs/dbraw/zinc/79/48/12/1170794812.db2.gz	MKRBHFGOIRLTLI-UHFFFAOYSA-N	-1	0	303.318	0.534	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)[C@H]1CCCO1	ZINC001609058416	1170794959	/nfs/dbraw/zinc/79/49/59/1170794959.db2.gz	YZBCTGPTCFAOJA-NWDGAFQWSA-N	-1	0	310.331	0.239	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CCN2C)C(=O)[O-]	ZINC001609078977	1170802753	/nfs/dbraw/zinc/80/27/53/1170802753.db2.gz	RGVPWZWNTFGPCR-LLVKDONJSA-N	-1	0	315.329	0.671	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC001609105282	1170812536	/nfs/dbraw/zinc/81/25/36/1170812536.db2.gz	RZFNLBVZPGQHQN-GFCCVEGCSA-N	-1	0	311.359	0.746	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC001609341117	1170944352	/nfs/dbraw/zinc/94/43/52/1170944352.db2.gz	XVVPTXCFZDFGAX-HNNXBMFYSA-N	-1	0	312.366	0.409	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])C1	ZINC001609407236	1170969488	/nfs/dbraw/zinc/96/94/88/1170969488.db2.gz	UOTDWDKLKDKLSX-RYUDHWBXSA-N	-1	0	310.350	0.256	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cn(C(C)C)nn2)o1	ZINC001609445935	1170980468	/nfs/dbraw/zinc/98/04/68/1170980468.db2.gz	BLJUIZXAGJEWDP-UHFFFAOYSA-N	-1	0	302.302	0.782	20	30		DCEDRM
Cn1cc(-c2nnn[n-]2)c(=O)n(CCCCC(C)(C)C#N)c1=O	ZINC001609477359	1170991777	/nfs/dbraw/zinc/99/17/77/1170991777.db2.gz	QYMXPMNSVUPMDE-UHFFFAOYSA-N	-1	0	317.353	0.447	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1cc(F)cc(F)c1	ZINC001609496335	1170996902	/nfs/dbraw/zinc/99/69/02/1170996902.db2.gz	FUYMQHXYAUTVPR-UHFFFAOYSA-N	-1	0	302.248	0.844	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CCN1CCc2ccccc21	ZINC001609496272	1170998217	/nfs/dbraw/zinc/99/82/17/1170998217.db2.gz	BHXCHQKGOMERDJ-UHFFFAOYSA-N	-1	0	321.348	0.580	20	30		DCEDRM
N#Cc1nc(NC(=O)Cc2ccc(C#N)cc2)[n-]c1-c1nn[nH]n1	ZINC001609498928	1171000074	/nfs/dbraw/zinc/00/00/74/1171000074.db2.gz	YBEXJHNJRCBNDQ-UHFFFAOYSA-N	-1	0	319.288	0.514	20	30		DCEDRM
C[C@@H](C(=O)NC(C)(C)c1nocc1C(=O)[O-])n1cnc(C#N)n1	ZINC001609634193	1171055639	/nfs/dbraw/zinc/05/56/39/1171055639.db2.gz	BONIHTXOJJCQLQ-ZETCQYMHSA-N	-1	0	318.293	0.448	20	30		DCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001609631250	1171056469	/nfs/dbraw/zinc/05/64/69/1171056469.db2.gz	VLHYYVMEZFJSCV-SECBINFHSA-N	-1	0	305.290	0.364	20	30		DCEDRM
C[C@@H](CC#N)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC001609725464	1171075234	/nfs/dbraw/zinc/07/52/34/1171075234.db2.gz	FBPJRPCLLOZZMF-CABZTGNLSA-N	-1	0	317.301	0.284	20	30		DCEDRM
C[C@](O)(CN1CCN(c2oc(C3CC3)nc2C#N)CC1)C(=O)[O-]	ZINC001609783901	1171084206	/nfs/dbraw/zinc/08/42/06/1171084206.db2.gz	HPZRRZZJZWLFNC-HNNXBMFYSA-N	-1	0	320.349	0.381	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)COC(=O)c1ccc(C#N)[nH]1)C(=O)[O-]	ZINC001609902371	1171119044	/nfs/dbraw/zinc/11/90/44/1171119044.db2.gz	LTYSOFMAYMDXEH-UFBFGSQYSA-N	-1	0	307.306	0.659	20	30		DCEDRM
CCO[C@@H]1C[C@](NCC(=O)NC2(C#N)CCC2)(C(=O)[O-])C1(C)C	ZINC001610031921	1171143504	/nfs/dbraw/zinc/14/35/04/1171143504.db2.gz	MREYTXVNVBOYOE-BZNIZROVSA-N	-1	0	323.393	0.797	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1Cc1ccncc1C#N	ZINC001610166598	1171183619	/nfs/dbraw/zinc/18/36/19/1171183619.db2.gz	SBRLAURXLRCPBU-GXFFZTMASA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1Cc1ccncc1C#N	ZINC001610166602	1171183630	/nfs/dbraw/zinc/18/36/30/1171183630.db2.gz	SBRLAURXLRCPBU-ZWNOBZJWSA-N	-1	0	303.318	0.791	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)[C@H](C(=O)[O-])C1	ZINC001610238849	1171203983	/nfs/dbraw/zinc/20/39/83/1171203983.db2.gz	ISOYRPXLWXQFSV-HZSPNIEDSA-N	-1	0	318.329	0.682	20	30		DCEDRM
COCc1cc(NC(=O)C(=O)N[C@H](C)CC#N)cc(C(=O)[O-])c1	ZINC001610268493	1171214149	/nfs/dbraw/zinc/21/41/49/1171214149.db2.gz	XVRYDGBFRHWVCE-SECBINFHSA-N	-1	0	319.317	0.888	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC001610398419	1171230949	/nfs/dbraw/zinc/23/09/49/1171230949.db2.gz	WPOAWBILGQDVLP-LBPRGKRZSA-N	-1	0	320.349	0.540	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1	ZINC001610432833	1171234881	/nfs/dbraw/zinc/23/48/81/1171234881.db2.gz	NJJASPNKQFPLHB-HNNXBMFYSA-N	-1	0	319.292	0.830	20	30		DCEDRM
Cc1onc(CC(=O)NC2(C(=O)[O-])CCSCC2)c1C#N	ZINC001610588788	1171261180	/nfs/dbraw/zinc/26/11/80/1171261180.db2.gz	IMYQWBHZWCKMTR-UHFFFAOYSA-N	-1	0	309.347	0.864	20	30		DCEDRM
Cn1ccc([C@@H](NC(=O)CNc2ccc(C#N)cn2)C(=O)[O-])n1	ZINC001610607992	1171266187	/nfs/dbraw/zinc/26/61/87/1171266187.db2.gz	NVCYDUIAFHVTPL-CYBMUJFWSA-N	-1	0	314.305	0.041	20	30		DCEDRM
Cn1nccc1[C@@H](NCC(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC001610615693	1171269120	/nfs/dbraw/zinc/26/91/20/1171269120.db2.gz	FFBPEJTYZPEFAS-LLVKDONJSA-N	-1	0	319.346	0.707	20	30		DCEDRM
N#C[C@@H]1CSCCN1S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001610620367	1171270534	/nfs/dbraw/zinc/27/05/34/1171270534.db2.gz	DZYYLGBRPUYHGZ-MRVPVSSYSA-N	-1	0	302.333	0.607	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001610625827	1171271816	/nfs/dbraw/zinc/27/18/16/1171271816.db2.gz	DQAVNGISOXVUEE-IAZYJMLFSA-N	-1	0	317.276	0.425	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1	ZINC001610624604	1171271844	/nfs/dbraw/zinc/27/18/44/1171271844.db2.gz	VUUIXLLDMFDCAH-RYUDHWBXSA-N	-1	0	324.358	0.209	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])nc1	ZINC001610628560	1171272829	/nfs/dbraw/zinc/27/28/29/1171272829.db2.gz	JZBDALJDRCXLSV-NXEZZACHSA-N	-1	0	302.290	0.261	20	30		DCEDRM
N#Cc1ccncc1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001610633555	1171273731	/nfs/dbraw/zinc/27/37/31/1171273731.db2.gz	PUXBRFDTRVUAKF-UHFFFAOYSA-N	-1	0	314.301	0.789	20	30		DCEDRM
Cc1cc(C)n(CCCNc2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001611721042	1171358354	/nfs/dbraw/zinc/35/83/54/1171358354.db2.gz	AYWFSNVAZVGDPI-UHFFFAOYSA-N	-1	0	302.338	0.261	20	30		DCEDRM
C#CC[C@H]1CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1	ZINC001630401801	1171570362	/nfs/dbraw/zinc/57/03/62/1171570362.db2.gz	TVTPWVCULKFWNE-NSHDSACASA-N	-1	0	312.329	0.752	20	30		DCEDRM
C=CC[C@@H](Cc1ccccc1)NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001637847790	1171779977	/nfs/dbraw/zinc/77/99/77/1171779977.db2.gz	AOZHYRJXAMYBCC-LBPRGKRZSA-N	-1	0	302.334	0.993	20	30		DCEDRM
COC[C@H](NC(=O)C=CC(=O)c1ccc(C)cc1)c1nnn[n-]1	ZINC001638139542	1171787742	/nfs/dbraw/zinc/78/77/42/1171787742.db2.gz	GWZTVNGZICCFOF-GUOLPTJISA-N	-1	0	315.333	0.751	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2cnc3[nH]ccc3c2)c(=O)[n-]c1=O	ZINC001645103436	1172028782	/nfs/dbraw/zinc/02/87/82/1172028782.db2.gz	GEVIRACWKSZYNL-UHFFFAOYSA-N	-1	0	324.300	0.677	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cnc(C3OCCO3)s2)[n-]c1C#N	ZINC001645777959	1172136318	/nfs/dbraw/zinc/13/63/18/1172136318.db2.gz	XPGBHZIARIWADM-UHFFFAOYSA-N	-1	0	316.302	0.907	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCO1	ZINC001646053193	1172234059	/nfs/dbraw/zinc/23/40/59/1172234059.db2.gz	YANQKDKRMFPJGJ-VHSXEESVSA-N	-1	0	318.333	0.019	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001646148402	1172272436	/nfs/dbraw/zinc/27/24/36/1172272436.db2.gz	RYKLGDDZJZIPNF-HNNXBMFYSA-N	-1	0	320.349	0.166	20	30		DCEDRM
CC1(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CC(F)(F)C1	ZINC001646624971	1172446134	/nfs/dbraw/zinc/44/61/34/1172446134.db2.gz	MUZMGBBLHCBLNL-UHFFFAOYSA-N	-1	0	324.287	0.639	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCn2ccnn2)cc1C#N	ZINC001647362090	1172840001	/nfs/dbraw/zinc/84/00/01/1172840001.db2.gz	IRWPPQYCQXTPSU-UHFFFAOYSA-N	-1	0	304.335	0.402	20	30		DCEDRM
CO[N-]C(=O)CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1	ZINC001665890794	1174572620	/nfs/dbraw/zinc/57/26/20/1174572620.db2.gz	IQMYSYSVGHIWRJ-UHFFFAOYSA-N	-1	0	311.363	0.444	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001675453827	1175357540	/nfs/dbraw/zinc/35/75/40/1175357540.db2.gz	JAOIJCDTGFRNFS-NSHDSACASA-N	-1	0	305.382	0.496	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001680524024	1175830245	/nfs/dbraw/zinc/83/02/45/1175830245.db2.gz	RNLXOLSDSUHKHA-GXSJLCMTSA-N	-1	0	322.365	0.346	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001688046832	1176344071	/nfs/dbraw/zinc/34/40/71/1176344071.db2.gz	MRUPGUHIFOPGBW-TXEJJXNPSA-N	-1	0	318.377	0.994	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H](NCC#N)C1CC1	ZINC001690180090	1177188689	/nfs/dbraw/zinc/18/86/89/1177188689.db2.gz	MSGSDHVSGMYMSV-SECBINFHSA-N	-1	0	320.315	0.451	20	30		DCEDRM
C[C@@H]1C[C@H](NC(=O)CSCC#N)CCN1Cc1n[nH]c(=O)[n-]1	ZINC001700310727	1178577204	/nfs/dbraw/zinc/57/72/04/1178577204.db2.gz	JMDYTGXDGMLMGN-NXEZZACHSA-N	-1	0	324.410	0.236	20	30		DCEDRM
C=CCCCN1CC(CCO)(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001700490437	1178633923	/nfs/dbraw/zinc/63/39/23/1178633923.db2.gz	XESHYAVDIIHLDA-UHFFFAOYSA-N	-1	0	308.382	0.557	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1	ZINC001700495015	1178638345	/nfs/dbraw/zinc/63/83/45/1178638345.db2.gz	PHDUMOCGTARDEA-GVXVVHGQSA-N	-1	0	323.397	0.428	20	30		DCEDRM
C=CCO[C@H](C)C(=O)NCCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001703349760	1179491795	/nfs/dbraw/zinc/49/17/95/1179491795.db2.gz	WRCGFHNZEBFCDW-SNVBAGLBSA-N	-1	0	310.354	0.251	20	30		DCEDRM
CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@@H]1CCN(CC#N)C1	ZINC001715033644	1181664262	/nfs/dbraw/zinc/66/42/62/1181664262.db2.gz	XTVGUMGLRJEBDU-SECBINFHSA-N	-1	0	320.315	0.500	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001723405000	1184296401	/nfs/dbraw/zinc/29/64/01/1184296401.db2.gz	ASBZXANCPDZJCC-QWRGUYRKSA-N	-1	0	309.370	0.182	20	30		DCEDRM
O=C(C#CC1CC1)N[C@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001725586935	1184898986	/nfs/dbraw/zinc/89/89/86/1184898986.db2.gz	ASIROAUVKLZODY-LRDDRELGSA-N	-1	0	315.377	0.537	20	30		DCEDRM
C#CCCCCC(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001747654252	1185185366	/nfs/dbraw/zinc/18/53/66/1185185366.db2.gz	ILVKLDIPZZTWEZ-GFCCVEGCSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001733801243	1186454268	/nfs/dbraw/zinc/45/42/68/1186454268.db2.gz	GMSBXIRDBJTVCQ-SNVBAGLBSA-N	-1	0	321.381	0.182	20	30		DCEDRM
C=C(C)CCC(=O)N(C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001735203302	1186822940	/nfs/dbraw/zinc/82/29/40/1186822940.db2.gz	ZSBZKFWDZAGKND-SECBINFHSA-N	-1	0	323.353	0.216	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](NC(=O)C#CC3CC3)C[C@H]2C)c1[O-]	ZINC001735327351	1186868271	/nfs/dbraw/zinc/86/82/71/1186868271.db2.gz	WGGQZKXUPCQHLK-BXKDBHETSA-N	-1	0	316.361	0.556	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@H](CC)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001738120174	1187479362	/nfs/dbraw/zinc/47/93/62/1187479362.db2.gz	OOAVGJGEFNNNOE-ZUZCIYMTSA-N	-1	0	324.381	0.375	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CC(N(C)C(=O)C#CC3CC3)C2)c1[O-]	ZINC001756739715	1189444080	/nfs/dbraw/zinc/44/40/80/1189444080.db2.gz	JZCCUYFZWGBHFR-UHFFFAOYSA-N	-1	0	316.361	0.556	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCC[C@H](C)NC(=O)[C@@H](C)C#N)c1[O-]	ZINC001756928777	1189478579	/nfs/dbraw/zinc/47/85/79/1189478579.db2.gz	ODJHAPJLCHRDSC-UWVGGRQHSA-N	-1	0	321.381	0.988	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1nc(=O)o[n-]1	ZINC001771646585	1190399294	/nfs/dbraw/zinc/39/92/94/1190399294.db2.gz	OZIPNNZFCYWZHX-ZDUSSCGKSA-N	-1	0	310.310	0.241	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N=c2nc(C)[nH]n2C)cc1C#N	ZINC001771652365	1190407042	/nfs/dbraw/zinc/40/70/42/1190407042.db2.gz	UKRXSTPEALYZDW-UHFFFAOYSA-N	-1	0	304.335	0.492	20	30		DCEDRM
COCCc1ccc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001772111238	1190610281	/nfs/dbraw/zinc/61/02/81/1190610281.db2.gz	FSUUEABHQMCBCQ-UHFFFAOYSA-N	-1	0	301.302	0.926	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cnc(C)cn1	ZINC001223360533	748429503	/nfs/dbraw/zinc/42/95/03/748429503.db2.gz	MXOOFGDPOFHPHR-LBPRGKRZSA-N	-1	0	302.352	0.761	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)c1[O-]	ZINC001059189053	748818635	/nfs/dbraw/zinc/81/86/35/748818635.db2.gz	UXVPXMLQODHVKC-MGCOHNPYSA-N	-1	0	313.321	0.458	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](Nc3ccncc3C#N)C2)c1[O-]	ZINC001059604201	749373510	/nfs/dbraw/zinc/37/35/10/749373510.db2.gz	WWHWTLWVGHCLJM-PHIMTYICSA-N	-1	0	312.333	0.485	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001108119513	754333897	/nfs/dbraw/zinc/33/38/97/754333897.db2.gz	OJOVIADZQJQNSP-HNNXBMFYSA-N	-1	0	323.397	0.430	20	30		DCEDRM
CC#CCN1CC2(C1)C[C@@H](NC(=O)c1[nH]nc(C)c1[O-])CO2	ZINC001053774586	756196382	/nfs/dbraw/zinc/19/63/82/756196382.db2.gz	GJCKAUYFLMPDGZ-LLVKDONJSA-N	-1	0	304.350	0.020	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001050000254	757263327	/nfs/dbraw/zinc/26/33/27/757263327.db2.gz	SVQQRZPBBREYBV-GARJFASQSA-N	-1	0	304.354	0.093	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)c1[O-]	ZINC001058327967	759894073	/nfs/dbraw/zinc/89/40/73/759894073.db2.gz	IOFYBIRFTCIWEX-SECBINFHSA-N	-1	0	313.321	0.094	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H](NC(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC001066475428	759975299	/nfs/dbraw/zinc/97/52/99/759975299.db2.gz	OPSNWDDVNCEKIG-ONGXEEELSA-N	-1	0	319.365	0.694	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CNc2ccc(C#N)cn2)c1[O-]	ZINC001108313770	760374698	/nfs/dbraw/zinc/37/46/98/760374698.db2.gz	NUDMRCXCYBIFID-QMMMGPOBSA-N	-1	0	300.322	0.921	20	30		DCEDRM
COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C2	ZINC001109151114	761267377	/nfs/dbraw/zinc/26/73/77/761267377.db2.gz	SKGLHNVGEDUULZ-AGIUHOORSA-N	-1	0	318.377	0.409	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001132001956	764182758	/nfs/dbraw/zinc/18/27/58/764182758.db2.gz	FYYKXHULXCHCJL-NWDGAFQWSA-N	-1	0	305.382	0.783	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H](C)Nc2ccncc2C#N)c1[O-]	ZINC001115671925	765787258	/nfs/dbraw/zinc/78/72/58/765787258.db2.gz	XXSMLNBPDKRXRD-SECBINFHSA-N	-1	0	314.349	0.685	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001116385440	765866071	/nfs/dbraw/zinc/86/60/71/765866071.db2.gz	XLGSXGZGVDCPLT-UHFFFAOYSA-N	-1	0	312.303	0.440	20	30		DCEDRM
N#CCC1(O)CN(C(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)C1	ZINC001116735483	765903875	/nfs/dbraw/zinc/90/38/75/765903875.db2.gz	ATMMWFNCWHDOFO-UHFFFAOYSA-N	-1	0	316.342	0.725	20	30		DCEDRM
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CCCC#N	ZINC001117700754	766130840	/nfs/dbraw/zinc/13/08/40/766130840.db2.gz	LVKGEMVOVKHWHB-UHFFFAOYSA-N	-1	0	324.362	0.282	20	30		DCEDRM
C/C=C(\C)C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001143951945	766751617	/nfs/dbraw/zinc/75/16/17/766751617.db2.gz	YUOLVKKWCHMJSI-IPQKIJNHSA-N	-1	0	312.328	0.495	20	30		DCEDRM
C=CCO[N-]C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1	ZINC001119638768	766758468	/nfs/dbraw/zinc/75/84/68/766758468.db2.gz	WHRJINBPIOEAOW-VIFPVBQESA-N	-1	0	316.404	0.822	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@H](OC)CC2	ZINC001122428066	767800495	/nfs/dbraw/zinc/80/04/95/767800495.db2.gz	SDPDXXNBCNRSRW-GHMZBOCLSA-N	-1	0	302.334	0.469	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C12CCC2	ZINC001202845781	768428824	/nfs/dbraw/zinc/42/88/24/768428824.db2.gz	FDFPARJPWHQNGV-VXGBXAGGSA-N	-1	0	317.393	0.831	20	30		DCEDRM
CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC001149297189	768727682	/nfs/dbraw/zinc/72/76/82/768727682.db2.gz	IWIXRAPQBLBTEQ-SECBINFHSA-N	-1	0	323.353	0.433	20	30		DCEDRM
C=CCCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1	ZINC001149362756	768739725	/nfs/dbraw/zinc/73/97/25/768739725.db2.gz	SQDFTIHFGXLBSP-LLVKDONJSA-N	-1	0	309.370	0.184	20	30		DCEDRM
Cc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)ccc1O	ZINC001151606575	769378346	/nfs/dbraw/zinc/37/83/46/769378346.db2.gz	OFPXRZOQAVXUDP-UHFFFAOYSA-N	-1	0	300.274	0.473	20	30		DCEDRM
N#Cc1c(N)nn(C(=O)c2cc(=O)c3cccc(O)c3[n-]2)c1N	ZINC001152672083	769621281	/nfs/dbraw/zinc/62/12/81/769621281.db2.gz	WFNPFIUILKOOJF-UHFFFAOYSA-N	-1	0	310.273	0.567	20	30		DCEDRM
C#C[C@H](Oc1[n-]c(=O)nc2ccc(C(N)=O)cc21)C(=O)OCC	ZINC001234515708	769680798	/nfs/dbraw/zinc/68/07/98/769680798.db2.gz	MCEFDHYPJMXXBC-NSHDSACASA-N	-1	0	315.285	0.378	20	30		DCEDRM
CC(C)C[C@H](NC(=O)c1ccn(C)c1CC(=O)[O-])C(=O)NO	ZINC001177370928	770418446	/nfs/dbraw/zinc/41/84/46/770418446.db2.gz	JRWSUUHDMHHSNJ-JTQLQIEISA-N	-1	0	311.338	0.302	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2cccnc2Br)c(C#N)c1=O	ZINC001185018225	771852477	/nfs/dbraw/zinc/85/24/77/771852477.db2.gz	ZUDNUKDUMGJZBB-UHFFFAOYSA-N	-1	0	323.106	0.895	20	30		DCEDRM
CC(=O)Oc1cccc(C(=O)N(O)C(=N)c2nonc2N)c1C	ZINC001189387338	772462288	/nfs/dbraw/zinc/46/22/88/772462288.db2.gz	HNWNHFMVGPNDMR-UHFFFAOYSA-N	-1	0	319.277	0.742	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)Cc1cc(F)ccc1F	ZINC001189710480	772521152	/nfs/dbraw/zinc/52/11/52/772521152.db2.gz	SGEZLMZYBZRLCA-LLVKDONJSA-N	-1	0	318.301	0.839	20	30		DCEDRM
COC(OC)c1c(C#N)ccnc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001163661910	772555063	/nfs/dbraw/zinc/55/50/63/772555063.db2.gz	HLUJSGYPGINSFR-SNVBAGLBSA-N	-1	0	308.319	0.966	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C/N=C1/NS(=O)(=O)c2ccccc21	ZINC001164414854	772655776	/nfs/dbraw/zinc/65/57/76/772655776.db2.gz	VNEAXHWGHNCGDJ-SECBINFHSA-N	-1	0	309.347	0.347	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1c(C#N)cnn1C1CCOCC1	ZINC001193107402	773006836	/nfs/dbraw/zinc/00/68/36/773006836.db2.gz	VJJVNJFHHOQZGB-VIFPVBQESA-N	-1	0	309.351	0.760	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ncc(Br)[nH]c1=O	ZINC001193173804	773014026	/nfs/dbraw/zinc/01/40/26/773014026.db2.gz	UPTSLUFOKVZVSB-BYPYZUCNSA-N	-1	0	307.129	0.186	20	30		DCEDRM
COc1ccc(C#N)c(S(=O)(=O)[N-]c2ncn(C)c2C#N)c1	ZINC001193654275	773098385	/nfs/dbraw/zinc/09/83/85/773098385.db2.gz	WBOHPFJIZQIWQG-UHFFFAOYSA-N	-1	0	317.330	0.973	20	30		DCEDRM
CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1cc(=O)n(C)[n-]1	ZINC001194202267	773163001	/nfs/dbraw/zinc/16/30/01/773163001.db2.gz	DXMOZKJVWVMYBO-UHFFFAOYSA-N	-1	0	313.317	0.918	20	30		DCEDRM
N#Cc1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])ccn1	ZINC001198738914	773969362	/nfs/dbraw/zinc/96/93/62/773969362.db2.gz	HECPAOAFQKZBQC-UHFFFAOYSA-N	-1	0	303.299	0.874	20	30		DCEDRM
[NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)C1=CC=CC1	ZINC001199702037	774185821	/nfs/dbraw/zinc/18/58/21/774185821.db2.gz	YIWCPNVMWSIFRG-JTQLQIEISA-N	-1	0	322.323	0.415	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2cn(C)nc2C#N)c1	ZINC001201843742	774564957	/nfs/dbraw/zinc/56/49/57/774564957.db2.gz	LJUZOXPRABSUHY-UHFFFAOYSA-N	-1	0	321.318	0.274	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCCC1OCCO1	ZINC001224937140	775622595	/nfs/dbraw/zinc/62/25/95/775622595.db2.gz	YXUUYLHHMKRMEQ-NSHDSACASA-N	-1	0	310.368	0.615	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(C(N)=O)cc1	ZINC001225298085	775662953	/nfs/dbraw/zinc/66/29/53/775662953.db2.gz	FVJMVQKQOWWPJN-GFCCVEGCSA-N	-1	0	315.347	0.623	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C)n(C)c(=O)c1	ZINC001225530218	775690778	/nfs/dbraw/zinc/69/07/78/775690778.db2.gz	DHAYUOXPCJGHDE-GFCCVEGCSA-N	-1	0	317.363	0.532	20	30		DCEDRM
C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1c([O-])c(=O)c1=O	ZINC001226602983	775844283	/nfs/dbraw/zinc/84/42/83/775844283.db2.gz	QAHPDJZEYHEWGJ-VIFPVBQESA-N	-1	0	309.318	0.933	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Oc2nc(=O)[n-]c(=O)[nH]2)C1	ZINC001227568973	775985898	/nfs/dbraw/zinc/98/58/98/775985898.db2.gz	RLBNPMLZHQPQEO-JGVFFNPUSA-N	-1	0	323.309	0.421	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C)nc(C)n1	ZINC001228141608	776051858	/nfs/dbraw/zinc/05/18/58/776051858.db2.gz	QWWSYFVMMCOGRB-NSHDSACASA-N	-1	0	302.352	0.931	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)C[C@H](C)COC1CCCC1)C(=O)[O-]	ZINC001588423494	1166552601	/nfs/dbraw/zinc/55/26/01/1166552601.db2.gz	IXNWQHHMRHUJKC-YPMHNXCESA-N	-1	0	317.407	0.978	20	30		DCEDRM
C#CCOC1CCN(S(=O)(=O)[C@H]2CCC[C@@H]2C(=O)[O-])CC1	ZINC001465107518	804090148	/nfs/dbraw/zinc/09/01/48/804090148.db2.gz	RQEWIPNJOYFSTB-STQMWFEESA-N	-1	0	315.391	0.684	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001602683287	1169158455	/nfs/dbraw/zinc/15/84/55/1169158455.db2.gz	NOOFACPSEHDOGV-SNVBAGLBSA-N	-1	0	308.338	0.863	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC001602757317	1169179843	/nfs/dbraw/zinc/17/98/43/1169179843.db2.gz	LCBCDFLFBZCNFY-SNVBAGLBSA-N	-1	0	313.379	0.917	20	30		DCEDRM
C=CCOCC(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001266743037	939226631	/nfs/dbraw/zinc/22/66/31/939226631.db2.gz	JCMNXIJKSQLIKG-LLVKDONJSA-N	-1	0	309.370	0.041	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCCN(C(=O)C#CC(C)C)CC2)c1[O-]	ZINC001283405883	939349033	/nfs/dbraw/zinc/34/90/33/939349033.db2.gz	AWFYRHKZXMIQQI-UHFFFAOYSA-N	-1	0	318.377	0.758	20	30		DCEDRM
C#CCCCCC(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001481089727	939555872	/nfs/dbraw/zinc/55/58/72/939555872.db2.gz	UGXGSFKJCUVCSH-LBPRGKRZSA-N	-1	0	305.382	0.642	20	30		DCEDRM
C=CCCN1CC(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	ZINC001267668839	939618890	/nfs/dbraw/zinc/61/88/90/939618890.db2.gz	BNWLSDZFLQFBKQ-UHFFFAOYSA-N	-1	0	307.316	0.820	20	30		DCEDRM
C#CCC1(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CCCCC1	ZINC001267672347	939620336	/nfs/dbraw/zinc/62/03/36/939620336.db2.gz	WPZNYNVCUXFRBA-UHFFFAOYSA-N	-1	0	317.393	0.785	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC/C=C/CNCC#N	ZINC001268628577	940307511	/nfs/dbraw/zinc/30/75/11/940307511.db2.gz	OGVAAEBZLDVPGP-ONEGZZNKSA-N	-1	0	306.288	0.229	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H](CCO)C(F)(F)F	ZINC001414344868	941736966	/nfs/dbraw/zinc/73/69/66/941736966.db2.gz	IRUPGPRTZKFJSI-VIFPVBQESA-N	-1	0	309.269	0.545	20	30		DCEDRM
Cc1ccc(C[C@@H](CO)Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001412882457	942122399	/nfs/dbraw/zinc/12/23/99/942122399.db2.gz	KVYGXZBDDUHHOG-LBPRGKRZSA-N	-1	0	314.345	0.269	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2c(F)cc(F)cc2F)c(C#N)c1=O	ZINC001412913775	942135655	/nfs/dbraw/zinc/13/56/55/942135655.db2.gz	ZAVXUZUIMKEYEH-UHFFFAOYSA-N	-1	0	310.235	0.975	20	30		DCEDRM
C[C@H]1CSC[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412931363	942144997	/nfs/dbraw/zinc/14/49/97/942144997.db2.gz	RWQRVLAWAXNGPY-WPRPVWTQSA-N	-1	0	308.363	0.078	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001484220692	943228307	/nfs/dbraw/zinc/22/83/07/943228307.db2.gz	ZNRFVDZFLLHRDE-OAHLLOKOSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001484220691	943229218	/nfs/dbraw/zinc/22/92/18/943229218.db2.gz	ZNRFVDZFLLHRDE-HNNXBMFYSA-N	-1	0	323.397	0.166	20	30		DCEDRM
N#Cc1ccc(CN2CC[C@H](NC(=O)CCC(=O)[O-])C2=O)cc1	ZINC001611295931	970981169	/nfs/dbraw/zinc/98/11/69/970981169.db2.gz	YSBAXWFEQZWBCO-ZDUSSCGKSA-N	-1	0	315.329	0.640	20	30		DCEDRM
CCOC(=O)[C@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CCO1	ZINC001413764443	943671970	/nfs/dbraw/zinc/67/19/70/943671970.db2.gz	IMYPPBZSYMOOQV-LLVKDONJSA-N	-1	0	319.317	0.371	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001485414611	943930342	/nfs/dbraw/zinc/93/03/42/943930342.db2.gz	UTABZDXDLNQYFO-NSHDSACASA-N	-1	0	323.397	0.166	20	30		DCEDRM
C#CCN1C[C@@]2(F)CN(Cc3ccc(C(=O)[O-])o3)C[C@@]2(F)C1=O	ZINC001272758991	944212931	/nfs/dbraw/zinc/21/29/31/944212931.db2.gz	ZKFXVTUMHAUKNY-LSDHHAIUSA-N	-1	0	324.283	0.685	20	30		DCEDRM
N#Cc1ccc(C(=O)N2C[C@H]3C[C@H](CC(N)=O)O[C@H]3C2)c([O-])c1	ZINC001276865060	944334147	/nfs/dbraw/zinc/33/41/47/944334147.db2.gz	PMVHFRHJFHKDPF-GYSYKLTISA-N	-1	0	315.329	0.369	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001319319507	945555777	/nfs/dbraw/zinc/55/57/77/945555777.db2.gz	RPBZSMJSLCPWJU-ABAIWWIYSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(=O)n(C)c2ccccc12	ZINC001319770563	945661467	/nfs/dbraw/zinc/66/14/67/945661467.db2.gz	BQTCNZJOEJNVDW-UHFFFAOYSA-N	-1	0	306.343	0.784	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1C[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001487410449	945718074	/nfs/dbraw/zinc/71/80/74/945718074.db2.gz	ATSMVBZTWROMMR-XYPYZODXSA-N	-1	0	322.365	0.251	20	30		DCEDRM
N#Cc1cnn(-c2ncccn2)c1[N-]S(=O)(=O)C(F)(F)F	ZINC001252282402	945882988	/nfs/dbraw/zinc/88/29/88/945882988.db2.gz	OUZYGWJQEVTJAE-UHFFFAOYSA-N	-1	0	318.240	0.795	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cn1ncc2ccccc2c1=O	ZINC001320571554	945931017	/nfs/dbraw/zinc/93/10/17/945931017.db2.gz	NTOBPSXWNVDTGK-UHFFFAOYSA-N	-1	0	307.331	0.029	20	30		DCEDRM
COC(=O)c1ccccc1S(=O)(=O)[N-]c1c(C#N)cnn1C	ZINC001253949645	946206672	/nfs/dbraw/zinc/20/66/72/946206672.db2.gz	PWFAPDDDPXYLRC-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C=C[C@@H]1C[C@]1(N[C@@H](CC)CC#N)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001255156159	946474770	/nfs/dbraw/zinc/47/47/70/946474770.db2.gz	FRJFMKJMCBZWJX-UHIISALHSA-N	-1	0	311.407	0.821	20	30		DCEDRM
C#C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ccccc1	ZINC001602673496	971240381	/nfs/dbraw/zinc/24/03/81/971240381.db2.gz	VDBXGKUPEUUPEL-UONOGXRCSA-N	-1	0	314.341	0.800	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001602675007	971244580	/nfs/dbraw/zinc/24/45/80/971244580.db2.gz	IUVGVWMIBGPMLJ-SNVBAGLBSA-N	-1	0	322.292	0.617	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c(F)c1	ZINC001322171412	946598441	/nfs/dbraw/zinc/59/84/41/946598441.db2.gz	FGZRNQCVLFPZHC-LLVKDONJSA-N	-1	0	321.308	0.398	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(Cl)cc1F	ZINC001602679633	971261057	/nfs/dbraw/zinc/26/10/57/971261057.db2.gz	URAXHLRWGSRXFC-UHFFFAOYSA-N	-1	0	312.684	0.964	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(C)cc1OC	ZINC001602679616	971261080	/nfs/dbraw/zinc/26/10/80/971261080.db2.gz	UFQIMJJRMYAMKF-UHFFFAOYSA-N	-1	0	304.302	0.489	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCOc1ccc(C(N)=O)cc1	ZINC001602682889	971270785	/nfs/dbraw/zinc/27/07/85/971270785.db2.gz	WFRNXTXGTPUIAH-UHFFFAOYSA-N	-1	0	304.302	0.101	20	30		DCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2)c2ncnc1-2	ZINC001258026606	946792225	/nfs/dbraw/zinc/79/22/25/946792225.db2.gz	JXJACOJJYHQQRR-UHFFFAOYSA-N	-1	0	314.330	0.987	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2C(N)=O)cc1	ZINC001258039407	946793389	/nfs/dbraw/zinc/79/33/89/946793389.db2.gz	SLUDXGHHHMFFMV-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
COC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC001258039635	946793728	/nfs/dbraw/zinc/79/37/28/946793728.db2.gz	WJVNMATWKKMFQL-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]([C@H]1CCOC1)C(F)(F)F	ZINC001602684091	971278988	/nfs/dbraw/zinc/27/89/88/971278988.db2.gz	QCMJHJALNVQTLI-WPRPVWTQSA-N	-1	0	308.256	0.683	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ncsc1NC(=O)OCC	ZINC001602692305	971301769	/nfs/dbraw/zinc/30/17/69/971301769.db2.gz	KUIAJDPQHGWDDX-UHFFFAOYSA-N	-1	0	311.319	0.872	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1c(C#N)cnn1-c1ccccn1	ZINC001259019131	946895821	/nfs/dbraw/zinc/89/58/21/946895821.db2.gz	UQVOCCQHWXHGNX-UHFFFAOYSA-N	-1	0	321.318	0.054	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(N2CCOCC2)ccn1	ZINC001602691769	971298969	/nfs/dbraw/zinc/29/89/69/971298969.db2.gz	YFRCZJPPSOMBCZ-UHFFFAOYSA-N	-1	0	303.318	0.078	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)NC(=O)CCN2C	ZINC001602692034	971300048	/nfs/dbraw/zinc/30/00/48/971300048.db2.gz	BUFGPPWHMRWLDT-UHFFFAOYSA-N	-1	0	315.329	0.625	20	30		DCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC001259340152	946945970	/nfs/dbraw/zinc/94/59/70/946945970.db2.gz	GODWDOMDDLZNDP-UHFFFAOYSA-N	-1	0	320.330	0.864	20	30		DCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1	ZINC001259378341	946951922	/nfs/dbraw/zinc/95/19/22/946951922.db2.gz	WLAIJJXDSXDHTC-UHFFFAOYSA-N	-1	0	317.286	0.996	20	30		DCEDRM
C=CCS(=O)(=O)[N-]c1ncc(Br)nc1C(N)=O	ZINC001259923042	947021382	/nfs/dbraw/zinc/02/13/82/947021382.db2.gz	PGVDRQIRIBAVIL-UHFFFAOYSA-N	-1	0	321.156	0.266	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NC(=O)NCc1cccs1	ZINC001602695973	971313905	/nfs/dbraw/zinc/31/39/05/971313905.db2.gz	ZTJIZTXRSYORPJ-UHFFFAOYSA-N	-1	0	309.347	0.094	20	30		DCEDRM
CC[C@@H](C#N)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260181090	947078890	/nfs/dbraw/zinc/07/88/90/947078890.db2.gz	KRYUTTOHJWRBMD-LURJTMIESA-N	-1	0	300.731	0.358	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)OC	ZINC001260231238	947088393	/nfs/dbraw/zinc/08/83/93/947088393.db2.gz	HAPVONNECRSUEP-NSHDSACASA-N	-1	0	313.331	0.781	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C#N)ncn2C)cc1	ZINC001260234582	947088750	/nfs/dbraw/zinc/08/87/50/947088750.db2.gz	ZCBYTEZMOZSCOV-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C#Cc1ccc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)cc1	ZINC001602707226	971342939	/nfs/dbraw/zinc/34/29/39/971342939.db2.gz	MQZGJOWWACDLGI-ZDUSSCGKSA-N	-1	0	300.314	0.930	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C(=O)OCC	ZINC001602711914	971352446	/nfs/dbraw/zinc/35/24/46/971352446.db2.gz	AEZMYPJCSMKGMY-VIFPVBQESA-N	-1	0	315.713	0.912	20	30		DCEDRM
CN1CCN(c2ccc(C=Nn3c(=O)[n-][nH]c3=O)cc2F)CC1	ZINC001324163511	947336231	/nfs/dbraw/zinc/33/62/31/947336231.db2.gz	MRBLTPPAFPAKTB-UHFFFAOYSA-N	-1	0	320.328	0.462	20	30		DCEDRM
N#CCCn1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1	ZINC001261630810	947379168	/nfs/dbraw/zinc/37/91/68/947379168.db2.gz	YUOWJVRICWJGMC-UHFFFAOYSA-N	-1	0	319.321	0.106	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C(=O)[O-])C(C)C	ZINC001602722953	971390840	/nfs/dbraw/zinc/39/08/40/971390840.db2.gz	CJXKEZODOUYTIT-DTWKUNHWSA-N	-1	0	300.311	0.287	20	30		DCEDRM
C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001602730018	971404758	/nfs/dbraw/zinc/40/47/58/971404758.db2.gz	PVDLIVWIUZMKSP-MNOVXSKESA-N	-1	0	319.365	0.369	20	30		DCEDRM
C[C@H](O)CCN(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001604384172	1169578559	/nfs/dbraw/zinc/57/85/59/1169578559.db2.gz	NBAZCFNVTNPPCL-VIFPVBQESA-N	-1	0	312.347	0.648	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](CF)C1	ZINC001263330271	947833027	/nfs/dbraw/zinc/83/30/27/947833027.db2.gz	GFJHABLXFLCSJG-JTQLQIEISA-N	-1	0	306.345	0.874	20	30		DCEDRM
COCCn1cc(C([O-])=C(C#N)C(=O)c2nccn2C)c(C)n1	ZINC001263380568	947836451	/nfs/dbraw/zinc/83/64/51/947836451.db2.gz	UYNVPSCAPFWHMY-LLVKDONJSA-N	-1	0	315.333	0.777	20	30		DCEDRM
COc1c(S(=O)(=O)[N-]C(=O)CCCCC#N)c(C)nn1C	ZINC001326794129	948279524	/nfs/dbraw/zinc/27/95/24/948279524.db2.gz	WXJXFCFXBHCMGS-UHFFFAOYSA-N	-1	0	314.367	0.626	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001487979214	948401747	/nfs/dbraw/zinc/40/17/47/948401747.db2.gz	VGCBDKCNNZAULY-QWRGUYRKSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-n2cncn2)cn1	ZINC001602782195	971528729	/nfs/dbraw/zinc/52/87/29/971528729.db2.gz	QJBKCHYAJCOVPK-CYBMUJFWSA-N	-1	0	300.278	0.605	20	30		DCEDRM
C[C@]1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCCCO1	ZINC001364366352	949128510	/nfs/dbraw/zinc/12/85/10/949128510.db2.gz	MFPMIDPXZOXVQX-OAHLLOKOSA-N	-1	0	320.349	0.286	20	30		DCEDRM
CC1(C)C(C)(C)C1(C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001364395281	949184387	/nfs/dbraw/zinc/18/43/87/949184387.db2.gz	BUWIMORSAMMCPT-UHFFFAOYSA-N	-1	0	304.350	0.761	20	30		DCEDRM
COC(=O)[C@H](NCc1cc(=O)n2[n-]cc(C#N)c2n1)C(C)C	ZINC001364519135	949474460	/nfs/dbraw/zinc/47/44/60/949474460.db2.gz	QKMHIXSNDLSVQC-GFCCVEGCSA-N	-1	0	303.322	0.594	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2(CCO)CCCCC2)c(=O)[n-]c1=O	ZINC001364712421	949793184	/nfs/dbraw/zinc/79/31/84/949793184.db2.gz	KUPWDWXSPFKVQE-UHFFFAOYSA-N	-1	0	320.349	0.022	20	30		DCEDRM
CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1F	ZINC001364972499	950281333	/nfs/dbraw/zinc/28/13/33/950281333.db2.gz	QOYNYUVVPMEESA-VIFPVBQESA-N	-1	0	313.354	0.890	20	30		DCEDRM
C#CCN(CC1CC1)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC001330770697	950646253	/nfs/dbraw/zinc/64/62/53/950646253.db2.gz	QBESRJIRYNWJPE-UHFFFAOYSA-N	-1	0	308.359	0.525	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@@H](C(=O)OC(C)(C)C)C2)c(C#N)c1=O	ZINC001365213803	950748642	/nfs/dbraw/zinc/74/86/42/950748642.db2.gz	COQYNXAZHLFYKH-SECBINFHSA-N	-1	0	320.349	0.113	20	30		DCEDRM
CCC[C@@H](C)CCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365253347	950818169	/nfs/dbraw/zinc/81/81/69/950818169.db2.gz	XAEKMCYCUVUVPP-LLVKDONJSA-N	-1	0	321.381	0.946	20	30		DCEDRM
CCOC(=O)[C@H](CSC)NS(=O)(=O)c1ccc(C#N)o1	ZINC001365459413	951151909	/nfs/dbraw/zinc/15/19/09/951151909.db2.gz	YUTLQMLHTGFVKI-VIFPVBQESA-N	-1	0	318.376	0.724	20	30		DCEDRM
CC[C@@H](C)CCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365653113	951390830	/nfs/dbraw/zinc/39/08/30/951390830.db2.gz	VNBDARMEQFOSGC-SNVBAGLBSA-N	-1	0	307.354	0.556	20	30		DCEDRM
C[C@@H](CO[C@H]1CCOC1)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001575177772	952403994	/nfs/dbraw/zinc/40/39/94/952403994.db2.gz	MRBDPSFWZDSLRD-IUCAKERBSA-N	-1	0	316.325	0.134	20	30		DCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cc(C2CCOCC2)nn1C	ZINC001335285066	952511995	/nfs/dbraw/zinc/51/19/95/952511995.db2.gz	KUKCHNBDRPZQHS-UHFFFAOYSA-N	-1	0	308.338	0.486	20	30		DCEDRM
N#CC1(NC(=O)[C@H]2CC23CN(C(=O)c2cc(=O)[nH][n-]2)C3)CCC1	ZINC001276022162	952626845	/nfs/dbraw/zinc/62/68/45/952626845.db2.gz	DCTPALMVJAKJFA-SECBINFHSA-N	-1	0	315.333	0.140	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F	ZINC001335981271	952627845	/nfs/dbraw/zinc/62/78/45/952627845.db2.gz	JKSQUMOMSBRSLN-TZMCWYRMSA-N	-1	0	320.320	0.011	20	30		DCEDRM
Cc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)ccc1F	ZINC001412503391	952851442	/nfs/dbraw/zinc/85/14/42/952851442.db2.gz	LRRNKKNWKVNRJC-UHFFFAOYSA-N	-1	0	302.265	0.907	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC2CCSCC2)c(=O)[n-]c1=O	ZINC001412548931	952890033	/nfs/dbraw/zinc/89/00/33/952890033.db2.gz	XCAUTGCQTBXGSO-UHFFFAOYSA-N	-1	0	308.363	0.080	20	30		DCEDRM
CC[C@H]1CO[C@@H](C)CN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412584585	952913328	/nfs/dbraw/zinc/91/33/28/952913328.db2.gz	MPUSMWHDALKFOB-JQWIXIFHSA-N	-1	0	320.349	0.237	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@H](CCF)C1	ZINC001339053822	953070468	/nfs/dbraw/zinc/07/04/68/953070468.db2.gz	ALIPDRTZNZFBFX-SNVBAGLBSA-N	-1	0	322.344	0.253	20	30		DCEDRM
C=CCOCCCC(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1	ZINC001339538209	953101003	/nfs/dbraw/zinc/10/10/03/953101003.db2.gz	APDXJUFTMXKXHE-NRFANRHFSA-N	-1	0	317.407	0.794	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)[C@]1(C(=O)[O-])C[NH2+]CCO1	ZINC001340065805	953141949	/nfs/dbraw/zinc/14/19/49/953141949.db2.gz	SPVSBOYAEROYIE-INIZCTEOSA-N	-1	0	320.345	0.311	20	30		DCEDRM
CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1	ZINC001341882384	953256071	/nfs/dbraw/zinc/25/60/71/953256071.db2.gz	CPMODVURQHDPJA-LLVKDONJSA-N	-1	0	300.318	0.386	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)C1	ZINC001589266741	953375611	/nfs/dbraw/zinc/37/56/11/953375611.db2.gz	VMCLAQOASADCBA-UPJWGTAASA-N	-1	0	321.377	0.708	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C[C@@H]1O	ZINC001604804892	1169690742	/nfs/dbraw/zinc/69/07/42/1169690742.db2.gz	BURYTIQMPCZIPB-KCJUWKMLSA-N	-1	0	310.331	0.258	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H]2CN(C)C(=O)C#CC(C)C)c1[O-]	ZINC001282039272	953463222	/nfs/dbraw/zinc/46/32/22/953463222.db2.gz	YNQNCPVUIPRBDT-GFCCVEGCSA-N	-1	0	318.377	0.756	20	30		DCEDRM
Cc1nnc(COCC(=O)[N-]S(=O)(=O)CCCC#N)s1	ZINC001345427445	953657667	/nfs/dbraw/zinc/65/76/67/953657667.db2.gz	QMTKXCSSFAOGOH-UHFFFAOYSA-N	-1	0	318.380	0.113	20	30		DCEDRM
C=CCCC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1	ZINC001345772161	953726424	/nfs/dbraw/zinc/72/64/24/953726424.db2.gz	HZZOTUHRMYCISH-WDEREUQCSA-N	-1	0	322.365	0.082	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(S(C)(=O)=O)oc1C	ZINC001346121750	953804378	/nfs/dbraw/zinc/80/43/78/953804378.db2.gz	ITSGRQTXKGYMOQ-SNVBAGLBSA-N	-1	0	310.331	0.616	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccnc2c1ncn2C	ZINC001347205415	954043177	/nfs/dbraw/zinc/04/31/77/954043177.db2.gz	VUSMKNIZPAZSPQ-JTQLQIEISA-N	-1	0	308.301	0.907	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1COc2ccc(F)cc2C1	ZINC001347362690	954076814	/nfs/dbraw/zinc/07/68/14/954076814.db2.gz	STUVZJPZIDOKTC-NSHDSACASA-N	-1	0	311.334	0.846	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC[C@H]1C(=O)[O-]	ZINC001589365124	954183484	/nfs/dbraw/zinc/18/34/84/954183484.db2.gz	GYIJVAKLCZBDEO-IJLUTSLNSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)CC[C@H]1C(=O)[O-]	ZINC001589367817	954208663	/nfs/dbraw/zinc/20/86/63/954208663.db2.gz	ZYOJLKXZJONEOH-GXSJLCMTSA-N	-1	0	316.317	0.461	20	30		DCEDRM
C#CCCCCC(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001284229972	954945568	/nfs/dbraw/zinc/94/55/68/954945568.db2.gz	VVABBNMCKQOYOG-SNVBAGLBSA-N	-1	0	306.366	0.852	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1NC(=O)c2ccccc21	ZINC001350251457	955034590	/nfs/dbraw/zinc/03/45/90/955034590.db2.gz	IRHCCSOUFBNDCI-LBPRGKRZSA-N	-1	0	306.343	0.331	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1nc(C)c(C)s1	ZINC001350257103	955037409	/nfs/dbraw/zinc/03/74/09/955037409.db2.gz	ZMOIEMZYXSAXMA-UHFFFAOYSA-N	-1	0	304.418	0.931	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001350314536	955055623	/nfs/dbraw/zinc/05/56/23/955055623.db2.gz	YYEOPLDGBGLCJK-LBPRGKRZSA-N	-1	0	318.395	0.082	20	30		DCEDRM
CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)C#CC1CC1	ZINC001284533322	955158943	/nfs/dbraw/zinc/15/89/43/955158943.db2.gz	IZZMYCOQIZTQGL-UHFFFAOYSA-N	-1	0	305.382	0.593	20	30		DCEDRM
C=CCCCC(=O)N(C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001351762090	955404285	/nfs/dbraw/zinc/40/42/85/955404285.db2.gz	VHPAZSRXTRYSOM-UHFFFAOYSA-N	-1	0	323.353	0.217	20	30		DCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1(S(C)(=O)=O)CC1	ZINC001589088481	955920105	/nfs/dbraw/zinc/92/01/05/955920105.db2.gz	XDQQODGUKSAZPF-GZMMTYOYSA-N	-1	0	302.352	0.073	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC001593915820	956021916	/nfs/dbraw/zinc/02/19/16/956021916.db2.gz	SANMQYMOLYDCDS-SNVBAGLBSA-N	-1	0	301.262	0.177	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1	ZINC001593916520	956027151	/nfs/dbraw/zinc/02/71/51/956027151.db2.gz	WONXEJGTJVKTST-VIFPVBQESA-N	-1	0	301.262	0.381	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1	ZINC001353498298	956083859	/nfs/dbraw/zinc/08/38/59/956083859.db2.gz	KWYKKCFLYYRWTG-UHFFFAOYSA-N	-1	0	324.427	0.772	20	30		DCEDRM
N#C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C1CCCCC1	ZINC001594602055	956142026	/nfs/dbraw/zinc/14/20/26/956142026.db2.gz	TXHXONIFUNSUFG-QWHCGFSZSA-N	-1	0	321.377	0.898	20	30		DCEDRM
N#CCc1ccnc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1	ZINC001594611318	956213093	/nfs/dbraw/zinc/21/30/93/956213093.db2.gz	RQLUHLBXGJLJBH-NHYWBVRUSA-N	-1	0	316.317	0.713	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CCSC(F)(F)F)c1=O	ZINC001594633880	956359949	/nfs/dbraw/zinc/35/99/49/956359949.db2.gz	YLJZBSADRQNYGO-UHFFFAOYSA-N	-1	0	323.252	0.219	20	30		DCEDRM
C=C(C)CCC(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001287671638	956422109	/nfs/dbraw/zinc/42/21/09/956422109.db2.gz	XFUPSKLBJKDLHC-SECBINFHSA-N	-1	0	323.353	0.216	20	30		DCEDRM
C[C@H](CC#N)N(C)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001603118554	972197674	/nfs/dbraw/zinc/19/76/74/972197674.db2.gz	CYHXLBXSVVBCKD-SECBINFHSA-N	-1	0	302.352	0.027	20	30		DCEDRM
CC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC001589200557	956630547	/nfs/dbraw/zinc/63/05/47/956630547.db2.gz	RFILBHDAISMZOI-UHFFFAOYSA-N	-1	0	309.347	0.829	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2cc(C#N)ccc2C)CCO1	ZINC001593977322	956676312	/nfs/dbraw/zinc/67/63/12/956676312.db2.gz	IQBAVXASQHSRMW-INIZCTEOSA-N	-1	0	318.329	0.809	20	30		DCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N(C)C[C@H]1CCCO1	ZINC001355900006	956741421	/nfs/dbraw/zinc/74/14/21/956741421.db2.gz	GMRZJCSHNCEZOJ-LLVKDONJSA-N	-1	0	318.385	0.378	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2csc(C#N)c2)CCO1	ZINC001593984251	956745020	/nfs/dbraw/zinc/74/50/20/956745020.db2.gz	VPWKVGPKQUKHSX-ZDUSSCGKSA-N	-1	0	310.331	0.562	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC001289430685	956747814	/nfs/dbraw/zinc/74/78/14/956747814.db2.gz	JHYNZLQZZKDQBL-UHFFFAOYSA-N	-1	0	302.212	0.379	20	30		DCEDRM
Cc1nn2cccnc2c1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC001357579932	957323649	/nfs/dbraw/zinc/32/36/49/957323649.db2.gz	FHFNMYKRDZUAMC-JTQLQIEISA-N	-1	0	308.301	0.977	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC001327681317	957349229	/nfs/dbraw/zinc/34/92/29/957349229.db2.gz	YCASIQABIPBGJH-SECBINFHSA-N	-1	0	305.290	0.364	20	30		DCEDRM
Cc1nnc(COCC(=O)C(C#N)=C([O-])c2nccn2C)s1	ZINC001357662719	957349404	/nfs/dbraw/zinc/34/94/04/957349404.db2.gz	MKZJHAHOOJDHNO-VIFPVBQESA-N	-1	0	319.346	0.688	20	30		DCEDRM
N#Cc1ccc2c(c1)CCN2C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001361403896	957935992	/nfs/dbraw/zinc/93/59/92/957935992.db2.gz	GXNFDQBMUNVQQF-UHFFFAOYSA-N	-1	0	320.312	0.532	20	30		DCEDRM
C#C[C@H](C)NC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001588386520	957979331	/nfs/dbraw/zinc/97/93/31/957979331.db2.gz	BLODGZJMJWOWIU-QWRGUYRKSA-N	-1	0	307.350	0.115	20	30		DCEDRM
C#CC[C@@H]1NC(=O)N(C[C@@](C)(C(=O)[O-])c2ccccc2)C1=O	ZINC001588392162	958030734	/nfs/dbraw/zinc/03/07/34/958030734.db2.gz	URRGTGGDVOWESJ-BLLLJJGKSA-N	-1	0	300.314	0.973	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(F)c(F)c1F	ZINC001588394987	958037141	/nfs/dbraw/zinc/03/71/41/958037141.db2.gz	HTPDRTRBIZOWDW-UHFFFAOYSA-N	-1	0	314.219	0.589	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])nn1CCC#N	ZINC001594313546	958050166	/nfs/dbraw/zinc/05/01/66/958050166.db2.gz	KJHLQVPQALJTLL-JTQLQIEISA-N	-1	0	319.321	0.119	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnc(C(C)(C)C)nc1	ZINC001588397400	958055431	/nfs/dbraw/zinc/05/54/31/958055431.db2.gz	HAKGTCYVQFEOQM-UHFFFAOYSA-N	-1	0	318.333	0.259	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@]1(c2ccccc2)CCC(=O)NC1	ZINC001588400152	958077442	/nfs/dbraw/zinc/07/74/42/958077442.db2.gz	RYOQAFNUKILFGP-QGZVFWFLSA-N	-1	0	314.341	0.381	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(C(=O)[C@H](C)CC)C1	ZINC001588400501	958083592	/nfs/dbraw/zinc/08/35/92/958083592.db2.gz	ZPDBZMRTDYXMKH-CHWSQXEVSA-N	-1	0	308.378	0.818	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CSC(c2ccccc2O)=N1	ZINC001588400512	958084283	/nfs/dbraw/zinc/08/42/83/958084283.db2.gz	ZSSGMGLEDKVIDA-LLVKDONJSA-N	-1	0	318.354	0.801	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1csc(N2CCOCC2)n1	ZINC001588407876	958104542	/nfs/dbraw/zinc/10/45/42/958104542.db2.gz	XWFAVXAPZOMOPQ-UHFFFAOYSA-N	-1	0	323.374	0.069	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1	ZINC001588408506	958111662	/nfs/dbraw/zinc/11/16/62/958111662.db2.gz	PXCAULIKQSSECP-WFGGJUAMSA-N	-1	0	324.377	0.688	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001297137411	958152193	/nfs/dbraw/zinc/15/21/93/958152193.db2.gz	KHUGLLXXDRGXIH-PWSUYJOCSA-N	-1	0	310.354	0.567	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(N2CCCC2=O)cc1	ZINC001588416019	958161838	/nfs/dbraw/zinc/16/18/38/958161838.db2.gz	FJCKLWDGOSHNMP-UHFFFAOYSA-N	-1	0	300.314	0.973	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(N2CCOC2=O)ccc1F	ZINC001588416929	958166344	/nfs/dbraw/zinc/16/63/44/958166344.db2.gz	XAWTZHWUBZSFKU-UHFFFAOYSA-N	-1	0	320.276	0.942	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1nn(CC)cc1C(=O)OCC	ZINC001588417381	958170998	/nfs/dbraw/zinc/17/09/98/958170998.db2.gz	LNZDUYQDXQUMLQ-UHFFFAOYSA-N	-1	0	322.321	0.631	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nc(C)ncc1Br	ZINC001588418452	958179414	/nfs/dbraw/zinc/17/94/14/958179414.db2.gz	GXPBVCIEJSWGPL-UHFFFAOYSA-N	-1	0	312.123	0.708	20	30		DCEDRM
C#CCN(CC(=O)[O-])Cc1nc(-c2cc(OC)ncn2)no1	ZINC001588425227	958224815	/nfs/dbraw/zinc/22/48/15/958224815.db2.gz	KDSZUHREVOWATF-UHFFFAOYSA-N	-1	0	303.278	0.055	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(=O)N2CCCC2)n1CC	ZINC001588427031	958237801	/nfs/dbraw/zinc/23/78/01/958237801.db2.gz	KKQCWTOBSDXEMJ-UHFFFAOYSA-N	-1	0	305.338	0.058	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(COC)n1Cc1ccccc1	ZINC001588427233	958241732	/nfs/dbraw/zinc/24/17/32/958241732.db2.gz	RASNGUIANYNYDU-UHFFFAOYSA-N	-1	0	314.345	0.997	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(COC)n1C[C@@H]1CCCO1	ZINC001588427427	958245555	/nfs/dbraw/zinc/24/55/55/958245555.db2.gz	XPPYNMBSSMNQFO-NSHDSACASA-N	-1	0	308.338	0.128	20	30		DCEDRM
C[C@@H](Cc1cccs1)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361766094	958302895	/nfs/dbraw/zinc/30/28/95/958302895.db2.gz	IXSLACKQFRXGCW-VIFPVBQESA-N	-1	0	318.358	0.629	20	30		DCEDRM
C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588441604	958338226	/nfs/dbraw/zinc/33/82/26/958338226.db2.gz	DQNGSALFTWMPLV-WDEREUQCSA-N	-1	0	319.365	0.716	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001588442597	958345927	/nfs/dbraw/zinc/34/59/27/958345927.db2.gz	TVESHPMXRPWCHN-HUBLWGQQSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C(C)C)N1C[C@H](C)O[C@@H](C)C1	ZINC001573317572	958452926	/nfs/dbraw/zinc/45/29/26/958452926.db2.gz	DDFXRXFBYXKQBZ-YDHLFZDLSA-N	-1	0	310.394	0.667	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC001588472495	958543686	/nfs/dbraw/zinc/54/36/86/958543686.db2.gz	NPXRFPIXHVINTC-QJPTWQEYSA-N	-1	0	308.382	0.934	20	30		DCEDRM
Cc1ccsc1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361975916	958562926	/nfs/dbraw/zinc/56/29/26/958562926.db2.gz	SDPCDWLRLZLJTC-UHFFFAOYSA-N	-1	0	304.331	0.507	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588478552	958568262	/nfs/dbraw/zinc/56/82/62/958568262.db2.gz	OCGFBXPIWWNBJO-TUAOUCFPSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C[C@@H](CNC(=O)CC#Cc1ccccc1)NC(=O)c1cn[nH]n1	ZINC001298820224	958723933	/nfs/dbraw/zinc/72/39/33/958723933.db2.gz	GIJCMXHTFQYJEG-LBPRGKRZSA-N	-1	0	311.345	0.481	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)CN1CCCC1=O	ZINC001362097026	958729299	/nfs/dbraw/zinc/72/92/99/958729299.db2.gz	DDCYLRKHUDBEGD-JTQLQIEISA-N	-1	0	302.334	0.708	20	30		DCEDRM
CC1(C)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCCO1	ZINC001362198936	958912212	/nfs/dbraw/zinc/91/22/12/958912212.db2.gz	KTUQSJMHDRBYBU-UHFFFAOYSA-N	-1	0	320.349	0.238	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(N2CCOC2=O)CC1	ZINC001588534414	958921548	/nfs/dbraw/zinc/92/15/48/958921548.db2.gz	GCNCSYQPIIYPLD-AWEZNQCLSA-N	-1	0	309.322	0.434	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(N2CCOC2=O)CC1	ZINC001588534416	958921679	/nfs/dbraw/zinc/92/16/79/958921679.db2.gz	GCNCSYQPIIYPLD-CQSZACIVSA-N	-1	0	309.322	0.434	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N(C)[C@@H](C)CC#N)cc2=O)n1	ZINC001362251909	959006189	/nfs/dbraw/zinc/00/61/89/959006189.db2.gz	FYSOOXABENEEQU-NSHDSACASA-N	-1	0	314.349	0.947	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1)C(=O)[O-]	ZINC000159574528	959119554	/nfs/dbraw/zinc/11/95/54/959119554.db2.gz	PJGGXPHDJSGYGE-NSHDSACASA-N	-1	0	311.315	0.228	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c(=O)[n-]c1=O	ZINC001362335697	959166976	/nfs/dbraw/zinc/16/69/76/959166976.db2.gz	NZIWUJQRPFNQQP-QWHCGFSZSA-N	-1	0	316.361	0.906	20	30		DCEDRM
CO[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H](C)C1	ZINC001362376434	959242541	/nfs/dbraw/zinc/24/25/41/959242541.db2.gz	QZQQGTULFIJMRS-PWSUYJOCSA-N	-1	0	320.349	0.237	20	30		DCEDRM
C=C(Cl)CN(C)CCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001377009466	959308029	/nfs/dbraw/zinc/30/80/29/959308029.db2.gz	IXWPZARQFNVLNR-UHFFFAOYSA-N	-1	0	317.777	0.222	20	30		DCEDRM
COC(=O)[C@]1(F)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362419652	959319914	/nfs/dbraw/zinc/31/99/14/959319914.db2.gz	OMQVDOSHGRUMLG-AWEZNQCLSA-N	-1	0	307.281	0.695	20	30		DCEDRM
C[C@H](CN(C)C(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001573587389	959373981	/nfs/dbraw/zinc/37/39/81/959373981.db2.gz	VODAQFGPYTVJLM-MMZVIXLHSA-N	-1	0	309.322	0.082	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)CCS(C)(=O)=O	ZINC001362466155	959410308	/nfs/dbraw/zinc/41/03/08/959410308.db2.gz	SPUHSASDQBFZBX-VIFPVBQESA-N	-1	0	311.363	0.520	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@H](CO)[C@H](O)C2)cc1C#N	ZINC001362471926	959420366	/nfs/dbraw/zinc/42/03/66/959420366.db2.gz	ZWERPRSCIWANLO-LDYMZIIASA-N	-1	0	323.374	0.196	20	30		DCEDRM
N#Cc1ccc(O[C@H]2CCN(C(=O)CCc3nnn[n-]3)C2)nc1	ZINC001362774136	959968909	/nfs/dbraw/zinc/96/89/09/959968909.db2.gz	KGGGGMBYYSSYBX-NSHDSACASA-N	-1	0	313.321	0.079	20	30		DCEDRM
C#CCC1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CC1	ZINC001303027168	960038558	/nfs/dbraw/zinc/03/85/58/960038558.db2.gz	WGWIKUKNMCWGNF-UHFFFAOYSA-N	-1	0	312.333	0.252	20	30		DCEDRM
COC[C@H]1CCCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362825765	960048959	/nfs/dbraw/zinc/04/89/59/960048959.db2.gz	QDDYQWJEVYDCSB-NSHDSACASA-N	-1	0	320.349	0.096	20	30		DCEDRM
C[C@@H]1CC=CC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001305146475	960099797	/nfs/dbraw/zinc/09/97/97/960099797.db2.gz	IBGFBGUFRCJROO-ZYHUDNBSSA-N	-1	0	302.334	0.682	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](c2nc[nH]n2)c2ccccc2)c(C#N)c1=O	ZINC001307090843	960138992	/nfs/dbraw/zinc/13/89/92/960138992.db2.gz	XOYGUUKZJAZKAD-NSHDSACASA-N	-1	0	323.316	0.265	20	30		DCEDRM
C[C@H](OC(=O)COCC(=O)[O-])C(=O)NC1(C#N)CCCCC1	ZINC001603272399	972484515	/nfs/dbraw/zinc/48/45/15/972484515.db2.gz	OWPNSHULZWWXBK-JTQLQIEISA-N	-1	0	312.322	0.362	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1nc(N(C)C)no1	ZINC001362991691	960269126	/nfs/dbraw/zinc/26/91/26/960269126.db2.gz	AXKBAKLZYNWGNF-UHFFFAOYSA-N	-1	0	302.294	0.346	20	30		DCEDRM
CC(C)(C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(F)F	ZINC001362997793	960276065	/nfs/dbraw/zinc/27/60/65/960276065.db2.gz	ADTVYMZLXLTJRJ-UHFFFAOYSA-N	-1	0	300.265	0.228	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)[C@@H](C)O1	ZINC001363074654	960374808	/nfs/dbraw/zinc/37/48/08/960374808.db2.gz	HQRVAMBXGUCUSS-KBVBSXBZSA-N	-1	0	318.333	0.017	20	30		DCEDRM
Cc1cc(F)cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001363128879	960442446	/nfs/dbraw/zinc/44/24/46/960442446.db2.gz	NWLRHVQSUADUMI-UHFFFAOYSA-N	-1	0	316.292	0.698	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC001363218101	960624718	/nfs/dbraw/zinc/62/47/18/960624718.db2.gz	JSVMRWKTYRWFHH-CYBMUJFWSA-N	-1	0	316.361	0.514	20	30		DCEDRM
C[C@@H](CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccco1	ZINC001363284142	960787695	/nfs/dbraw/zinc/78/76/95/960787695.db2.gz	AZVWLWBXLYDLLO-JTQLQIEISA-N	-1	0	316.317	0.724	20	30		DCEDRM
CCc1nocc1CN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001363303496	960843309	/nfs/dbraw/zinc/84/33/09/960843309.db2.gz	IUCZHTYMMBZIHF-UHFFFAOYSA-N	-1	0	317.305	0.030	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC2(C3CC3)CCC2)c(=O)[n-]c1=O	ZINC001363357789	960972618	/nfs/dbraw/zinc/97/26/18/960972618.db2.gz	NYGBSIYWHZFJBB-UHFFFAOYSA-N	-1	0	302.334	0.660	20	30		DCEDRM
N#Cc1cscc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001571095632	961155232	/nfs/dbraw/zinc/15/52/32/961155232.db2.gz	BCRZIWDIUFMEPU-JTQLQIEISA-N	-1	0	307.331	0.425	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1	ZINC001571096246	961167030	/nfs/dbraw/zinc/16/70/30/961167030.db2.gz	JVQJVVZOQMJEFS-CYRTVHNOSA-N	-1	0	307.350	0.546	20	30		DCEDRM
C[C@@H](CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001363484653	961251992	/nfs/dbraw/zinc/25/19/92/961251992.db2.gz	SDWTYZROHJRAQR-ZETCQYMHSA-N	-1	0	318.255	0.525	20	30		DCEDRM
N#Cc1ccc(NC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)nc1	ZINC001571118321	961413771	/nfs/dbraw/zinc/41/37/71/961413771.db2.gz	DGAGFIRWSPPTTJ-UHFFFAOYSA-N	-1	0	313.277	0.332	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN([S@](C)(=N)=O)CC1	ZINC001363552913	961426184	/nfs/dbraw/zinc/42/61/84/961426184.db2.gz	GSMBXIBQDKDZFG-QFIPXVFZSA-N	-1	0	323.378	0.317	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)CSCCC(=O)[O-])CC1	ZINC001588801981	961428330	/nfs/dbraw/zinc/42/83/30/961428330.db2.gz	OHNNINPTCPGFIA-LBPRGKRZSA-N	-1	0	313.423	0.887	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)Nc1nc2n(c1C(=O)[O-])CCOC2	ZINC001574450164	961474157	/nfs/dbraw/zinc/47/41/57/961474157.db2.gz	YSFKSAHRJYTHGN-UHFFFAOYSA-N	-1	0	315.289	0.574	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)C[C@H]1CCCO1	ZINC001363591180	961506777	/nfs/dbraw/zinc/50/67/77/961506777.db2.gz	LSWSBYRTOPRPOO-VXGBXAGGSA-N	-1	0	305.334	0.627	20	30		DCEDRM
CO[C@@H]1CC[C@H](C)N(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001363593956	961515729	/nfs/dbraw/zinc/51/57/29/961515729.db2.gz	LFBKQZGQLKBZOL-CMPLNLGQSA-N	-1	0	320.349	0.237	20	30		DCEDRM
N#CCc1ccnc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c1	ZINC001574479123	961647166	/nfs/dbraw/zinc/64/71/66/961647166.db2.gz	DJJQMEVOPXVUBA-LLVKDONJSA-N	-1	0	316.317	0.409	20	30		DCEDRM
CC(C)[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)[O-]	ZINC001588823439	961648842	/nfs/dbraw/zinc/64/88/42/961648842.db2.gz	WWKLFGZWADMVEE-OLZOCXBDSA-N	-1	0	308.382	0.725	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)c2ccoc2CC(=O)[O-])CC1	ZINC001571144899	961717940	/nfs/dbraw/zinc/71/79/40/961717940.db2.gz	AWISYJOPADEMTK-UHFFFAOYSA-N	-1	0	320.301	0.826	20	30		DCEDRM
COC(=O)C1(Cn2cc(C(=O)[O-])cc(C#N)c2=O)CCOCC1	ZINC001571145483	961732836	/nfs/dbraw/zinc/73/28/36/961732836.db2.gz	YDHAFUDPIMFLRL-UHFFFAOYSA-N	-1	0	320.301	0.388	20	30		DCEDRM
CC(=O)N1C[C@@H]2CN(C(=O)c3[n-]c(=O)c(C#N)cc3C)C[C@@H]2C1	ZINC001363748609	961807066	/nfs/dbraw/zinc/80/70/66/961807066.db2.gz	BRTNWCHPIXIXFV-BETUJISGSA-N	-1	0	314.345	0.518	20	30		DCEDRM
COC[C@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@@H](C)O1	ZINC001363797175	961905340	/nfs/dbraw/zinc/90/53/40/961905340.db2.gz	SOQVFMSOQKVAAG-ZWNOBZJWSA-N	-1	0	317.349	0.542	20	30		DCEDRM
CN(C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001364030085	962328818	/nfs/dbraw/zinc/32/88/18/962328818.db2.gz	CPIWFUKBLSIBDW-UHFFFAOYSA-N	-1	0	305.338	0.405	20	30		DCEDRM
Cc1[nH]nc(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)c1C#N	ZINC001364043037	962358918	/nfs/dbraw/zinc/35/89/18/962358918.db2.gz	PUNTXXOJYADBBK-UHFFFAOYSA-N	-1	0	302.338	0.917	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c(=O)[n-]c1=O	ZINC001364134850	962535713	/nfs/dbraw/zinc/53/57/13/962535713.db2.gz	MIZRQRJBIGBIRD-NWANDNLSSA-N	-1	0	322.324	0.275	20	30		DCEDRM
Cn1c(=O)[n-]c(Sc2ccc3c(c2)OCCO3)c(C#N)c1=O	ZINC001364138098	962537484	/nfs/dbraw/zinc/53/74/84/962537484.db2.gz	ZLEMTSUZXMDROP-UHFFFAOYSA-N	-1	0	317.326	0.868	20	30		DCEDRM
COCCN(CC(=O)[O-])C(=O)C(=O)/C=C\c1ccc(F)cc1	ZINC001574149657	962643638	/nfs/dbraw/zinc/64/36/38/962643638.db2.gz	IWXAKNWOAOUEKL-DAXSKMNVSA-N	-1	0	309.293	0.968	20	30		DCEDRM
C=C(Br)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CNC(=O)[O-])C1	ZINC001573313191	962729026	/nfs/dbraw/zinc/72/90/26/962729026.db2.gz	FNHHLEHALYDCJM-DTWKUNHWSA-N	-1	0	320.187	0.742	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)[O-]	ZINC001573319816	962746713	/nfs/dbraw/zinc/74/67/13/962746713.db2.gz	BACONJVBXKIYFA-WOPDTQHZSA-N	-1	0	309.366	0.668	20	30		DCEDRM
CN(CCCC(=O)OC(C)(C)C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364260700	962768832	/nfs/dbraw/zinc/76/88/32/962768832.db2.gz	VBWSNMVNXGFPCJ-UHFFFAOYSA-N	-1	0	322.365	0.503	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C[C@H]21	ZINC001573324546	962787360	/nfs/dbraw/zinc/78/73/60/962787360.db2.gz	UVQWHCLUPYMZFF-SSKLVLDBSA-N	-1	0	306.362	0.636	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1	ZINC001588992747	962802306	/nfs/dbraw/zinc/80/23/06/962802306.db2.gz	APGZHGDVTSWQGH-CMPLNLGQSA-N	-1	0	315.329	0.891	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1	ZINC001573333287	962854311	/nfs/dbraw/zinc/85/43/11/962854311.db2.gz	XWQUSPGCCOSFER-ZDUSSCGKSA-N	-1	0	311.426	0.797	20	30		DCEDRM
C=C[C@H](CC)CC(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])C[C@H]1C	ZINC001573347110	962945951	/nfs/dbraw/zinc/94/59/51/962945951.db2.gz	JESUFXWJJBJTFR-IJLUTSLNSA-N	-1	0	311.382	0.819	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001573369686	963100553	/nfs/dbraw/zinc/10/05/53/963100553.db2.gz	XGYRLVWEKMVTJO-UWVGGRQHSA-N	-1	0	301.339	0.736	20	30		DCEDRM
C[C@](CO)(NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000313503820	963650364	/nfs/dbraw/zinc/65/03/64/963650364.db2.gz	JLBZRLGYHWSKFO-LLVKDONJSA-N	-1	0	318.738	0.326	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588435333	964020017	/nfs/dbraw/zinc/02/00/17/964020017.db2.gz	LTCAGKZUUCNZJN-VIFPVBQESA-N	-1	0	301.320	0.339	20	30		DCEDRM
C#CCCCC(=O)N1CCC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588435494	964023900	/nfs/dbraw/zinc/02/39/00/964023900.db2.gz	SIGPUSWRPWPXQR-KBPBESRZSA-N	-1	0	320.389	0.960	20	30		DCEDRM
C#CCCCC(=O)N1CCC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588435496	964024080	/nfs/dbraw/zinc/02/40/80/964024080.db2.gz	SIGPUSWRPWPXQR-UONOGXRCSA-N	-1	0	320.389	0.960	20	30		DCEDRM
C#CCCCCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588439861	964032358	/nfs/dbraw/zinc/03/23/58/964032358.db2.gz	HRZKBVQNOQDWBY-XJFOESAGSA-N	-1	0	320.389	0.912	20	30		DCEDRM
O=C(NCC#CCO)c1nn(-c2ccc(F)cc2F)cc1[O-]	ZINC001448433838	1013911241	/nfs/dbraw/zinc/91/12/41/1013911241.db2.gz	GNMKONMKVJHMSW-UHFFFAOYSA-N	-1	0	307.256	0.582	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCO2)C(=O)[O-]	ZINC000274928552	970313219	/nfs/dbraw/zinc/31/32/19/970313219.db2.gz	BZQRBLBSDHMAEW-GFCCVEGCSA-N	-1	0	309.343	0.766	20	30		DCEDRM
CC(=O)NCCN(C(=O)C#Cc1cccs1)[C@H](C)C(=O)[O-]	ZINC001609662863	970436555	/nfs/dbraw/zinc/43/65/55/970436555.db2.gz	JEWSVIDNKQPVNV-SNVBAGLBSA-N	-1	0	308.359	0.537	20	30		DCEDRM
COC[C@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)[C@H]1CCCO1	ZINC001448686594	1013995726	/nfs/dbraw/zinc/99/57/26/1013995726.db2.gz	XTRBBWCEISUSCO-NWDGAFQWSA-N	-1	0	305.334	0.891	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)N(C)CCc1cccc(C#N)c1	ZINC001604134335	972547378	/nfs/dbraw/zinc/54/73/78/972547378.db2.gz	XOGLTBFYPMGRRI-UHFFFAOYSA-N	-1	0	317.345	0.492	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC(C)(C#N)CC2)C1	ZINC001603355070	972795238	/nfs/dbraw/zinc/79/52/38/972795238.db2.gz	MVTNJKWRQRNKDC-VXGBXAGGSA-N	-1	0	321.377	0.708	20	30		DCEDRM
Cc1noc([C@@H]2OCC[C@@H]2NC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001605449775	973532782	/nfs/dbraw/zinc/53/27/82/973532782.db2.gz	LCDZJNQCZWCOMG-PLMOITTCSA-N	-1	0	308.294	0.329	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2ccc(C#N)cc2C)CCO1	ZINC001604556399	973585285	/nfs/dbraw/zinc/58/52/85/973585285.db2.gz	FQZVQKFMWPOXSB-INIZCTEOSA-N	-1	0	318.329	0.809	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC001603736766	974176481	/nfs/dbraw/zinc/17/64/81/974176481.db2.gz	RFDSIKXHFAJULF-GHMZBOCLSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000717437917	977900036	/nfs/dbraw/zinc/90/00/36/977900036.db2.gz	RZLVNTFKKQMDGR-MRVPVSSYSA-N	-1	0	305.739	0.863	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000718151835	977960376	/nfs/dbraw/zinc/96/03/76/977960376.db2.gz	UNLSJAYMQXBTPH-MRVPVSSYSA-N	-1	0	303.723	0.311	20	30		DCEDRM
C[C@@H](CN1CCOCC1)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001592623396	978594233	/nfs/dbraw/zinc/59/42/33/978594233.db2.gz	HVYICFURPVRCOF-NSHDSACASA-N	-1	0	305.334	0.386	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001523013609	1014517055	/nfs/dbraw/zinc/51/70/55/1014517055.db2.gz	CDIRDFVMYUWQSW-GHMZBOCLSA-N	-1	0	322.365	0.346	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCN(C)C(=O)C#CC2CC2)c1[O-]	ZINC001523381710	1014680286	/nfs/dbraw/zinc/68/02/86/1014680286.db2.gz	DSAFYTUHNVSIKZ-UHFFFAOYSA-N	-1	0	304.350	0.415	20	30		DCEDRM
CCC[C@H](C)N1C[C@@H](C(=O)N(CC#N)CCC(=O)[O-])CC1=O	ZINC001595578044	981498151	/nfs/dbraw/zinc/49/81/51/981498151.db2.gz	FMANMVOSQGREDG-RYUDHWBXSA-N	-1	0	309.366	0.850	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1scnc1C(=O)[O-])[C@@H]1CCCO1	ZINC001588376535	983352091	/nfs/dbraw/zinc/35/20/91/983352091.db2.gz	UZOHAXXAWQRYMD-SFYZADRCSA-N	-1	0	316.360	0.300	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588383529	983381855	/nfs/dbraw/zinc/38/18/55/983381855.db2.gz	CLQOJUPNRFNXIR-NSHDSACASA-N	-1	0	320.326	0.279	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001588383896	983385210	/nfs/dbraw/zinc/38/52/10/983385210.db2.gz	ODOMSWVMZLMSCS-SECBINFHSA-N	-1	0	320.276	0.323	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001588384045	983386556	/nfs/dbraw/zinc/38/65/56/983386556.db2.gz	SXSVLVFVFXDHRO-ZDUSSCGKSA-N	-1	0	316.313	0.113	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588390173	983391951	/nfs/dbraw/zinc/39/19/51/983391951.db2.gz	NCBOMJWOJIDMES-SNVBAGLBSA-N	-1	0	319.317	0.263	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](C(=O)OCC)c1ccccc1)C(=O)[O-]	ZINC001588393431	983398337	/nfs/dbraw/zinc/39/83/37/983398337.db2.gz	BOMIXAKPWOZKSQ-STQMWFEESA-N	-1	0	303.314	0.926	20	30		DCEDRM
C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC001588395826	983406938	/nfs/dbraw/zinc/40/69/38/983406938.db2.gz	UPPQWIHHSJCBIO-JTQLQIEISA-N	-1	0	314.363	0.430	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001588396785	983409331	/nfs/dbraw/zinc/40/93/31/983409331.db2.gz	ZCGGELWAHTWSEJ-LBPRGKRZSA-N	-1	0	312.366	0.595	20	30		DCEDRM
C#CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(=O)[O-]	ZINC001588405958	983423419	/nfs/dbraw/zinc/42/34/19/983423419.db2.gz	VVLXFPFAWQRVAY-JTQLQIEISA-N	-1	0	310.237	0.705	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)C(=O)[O-]	ZINC001588406073	983423677	/nfs/dbraw/zinc/42/36/77/983423677.db2.gz	MBVHLJPRPHFHOW-DTWKUNHWSA-N	-1	0	309.347	0.440	20	30		DCEDRM
C#CC[C@H](NC(=O)CCn1c2ccccc2n(C)c1=O)C(=O)[O-]	ZINC001588406084	983423772	/nfs/dbraw/zinc/42/37/72/983423772.db2.gz	XEUTZPMSLCNSFM-NSHDSACASA-N	-1	0	315.329	0.323	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1)C(=O)[O-]	ZINC001588406394	983425154	/nfs/dbraw/zinc/42/51/54/983425154.db2.gz	PGMOFVAOCAYQEV-UONOGXRCSA-N	-1	0	314.341	0.741	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1csc(-c2nc[nH]n2)n1)C(=O)[O-]	ZINC001588407499	983428393	/nfs/dbraw/zinc/42/83/93/983428393.db2.gz	IXEJFEWGQIDUCN-MRVPVSSYSA-N	-1	0	305.319	0.063	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1nnn(Cc2cc(C)on2)c1C)C(=O)[O-]	ZINC001588421456	983440935	/nfs/dbraw/zinc/44/09/35/983440935.db2.gz	JREXHQIEVFLGAB-LLVKDONJSA-N	-1	0	317.305	0.138	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(OC2CC2)cc1)C(=O)[O-]	ZINC001588428503	983462168	/nfs/dbraw/zinc/46/21/68/983462168.db2.gz	QTKNNBPFUPBUGL-CYBMUJFWSA-N	-1	0	309.343	0.983	20	30		DCEDRM
C#CCC1(O)CCN(C(=O)Nc2cc(C(=O)[O-])nn2C)CC1	ZINC001588431972	983466930	/nfs/dbraw/zinc/46/69/30/983466930.db2.gz	SZXHQOQJKIOGBN-UHFFFAOYSA-N	-1	0	306.322	0.500	20	30		DCEDRM
C#CCCCC(=O)N[C@@H](C)CN(C)c1ccnc(C(=O)[O-])n1	ZINC001588435145	983474756	/nfs/dbraw/zinc/47/47/56/983474756.db2.gz	DRHKEKAQUOWOFV-NSHDSACASA-N	-1	0	304.350	0.919	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)NCc1ccc(C(=O)[O-])c(OC)c1	ZINC001588435203	983475279	/nfs/dbraw/zinc/47/52/79/983475279.db2.gz	GXJYFQFQEFFRAX-LBPRGKRZSA-N	-1	0	320.345	0.967	20	30		DCEDRM
C#CCCCC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001588435264	983475466	/nfs/dbraw/zinc/47/54/66/983475466.db2.gz	IVBXFUWJJSCWII-NWDGAFQWSA-N	-1	0	306.362	0.666	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC001588461452	983490061	/nfs/dbraw/zinc/49/00/61/983490061.db2.gz	PYCNVGGSJMJQCF-NSHDSACASA-N	-1	0	302.330	0.980	20	30		DCEDRM
C#CCN(CC#C)C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001588464757	983494272	/nfs/dbraw/zinc/49/42/72/983494272.db2.gz	IYEJEOFEWGYEHL-GFCCVEGCSA-N	-1	0	322.361	0.840	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001588464868	983494956	/nfs/dbraw/zinc/49/49/56/983494956.db2.gz	QQNRHJPTRQDODP-UHFFFAOYSA-N	-1	0	320.251	0.697	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001588464901	983495063	/nfs/dbraw/zinc/49/50/63/983495063.db2.gz	SUEQFGFTJFCDOK-UHFFFAOYSA-N	-1	0	316.288	0.948	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001588465749	983496137	/nfs/dbraw/zinc/49/61/37/983496137.db2.gz	FUTKNXDZOGRFOG-MNOVXSKESA-N	-1	0	311.334	0.422	20	30		DCEDRM
C#CCO[C@H](C)C(=O)O[C@@H]1C[C@@H](C(=O)[O-])N(c2cnccn2)C1	ZINC001588490615	983533475	/nfs/dbraw/zinc/53/34/75/983533475.db2.gz	RNCFHEIPWPSZRG-UTUOFQBUSA-N	-1	0	319.317	0.090	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1c(C)sc(C)c1C(=O)[O-]	ZINC001588490975	983534974	/nfs/dbraw/zinc/53/49/74/983534974.db2.gz	AXIRBKDSAKIZND-UHFFFAOYSA-N	-1	0	324.358	0.768	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1	ZINC001588497483	983539261	/nfs/dbraw/zinc/53/92/61/983539261.db2.gz	JIBBTTPJXAINFJ-UHFFFAOYSA-N	-1	0	314.301	0.305	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)NCC(=O)NCC(=O)[O-]	ZINC001588504843	983548903	/nfs/dbraw/zinc/54/89/03/983548903.db2.gz	NKWQKWYNOMFXLU-UHFFFAOYSA-N	-1	0	305.290	0.021	20	30		DCEDRM
C#Cc1ccc(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)nc1	ZINC001588516438	983561083	/nfs/dbraw/zinc/56/10/83/983561083.db2.gz	MZAOXQKBQNBRGF-ZDUSSCGKSA-N	-1	0	316.313	0.685	20	30		DCEDRM
C#Cc1ccc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1	ZINC001588517330	983564376	/nfs/dbraw/zinc/56/43/76/983564376.db2.gz	QGAKGKQYWVTHIZ-KGLIPLIRSA-N	-1	0	302.330	0.645	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cc1	ZINC001588517599	983565668	/nfs/dbraw/zinc/56/56/68/983565668.db2.gz	WTLLQSGMHVNNIG-STQMWFEESA-N	-1	0	316.313	0.043	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])cc1	ZINC001588517654	983566134	/nfs/dbraw/zinc/56/61/34/983566134.db2.gz	DLWDCRQRJIORGE-TZMCWYRMSA-N	-1	0	323.370	0.969	20	30		DCEDRM
C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)c1	ZINC001588522383	983571153	/nfs/dbraw/zinc/57/11/53/983571153.db2.gz	UYHUUSXABLOWRH-BETUJISGSA-N	-1	0	314.341	0.858	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588529892	983582738	/nfs/dbraw/zinc/58/27/38/983582738.db2.gz	KMDJOYYLSHVWOA-NWDGAFQWSA-N	-1	0	308.378	0.884	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-]	ZINC001588546214	983614354	/nfs/dbraw/zinc/61/43/54/983614354.db2.gz	ASXYMOHLSUVMMP-NSHDSACASA-N	-1	0	317.301	0.366	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(C[C@@H](C)C(=O)[O-])C1CC1	ZINC001596231170	983625859	/nfs/dbraw/zinc/62/58/59/983625859.db2.gz	HTZRIOPTCAKHJK-GHMZBOCLSA-N	-1	0	317.411	0.898	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)Cn1cc([N+](=O)[O-])c(C(=O)[O-])n1	ZINC001596231505	983626827	/nfs/dbraw/zinc/62/68/27/983626827.db2.gz	ORBJPJFDFBSBID-MRVPVSSYSA-N	-1	0	309.282	0.498	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001596231676	983627197	/nfs/dbraw/zinc/62/71/97/983627197.db2.gz	RXXDZVPSCMNTRV-UTUOFQBUSA-N	-1	0	317.411	0.946	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-]	ZINC001588555693	983636717	/nfs/dbraw/zinc/63/67/17/983636717.db2.gz	PJMKEVPLBSSUHI-VIFPVBQESA-N	-1	0	317.319	0.764	20	30		DCEDRM
C=C(C)CCN1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])CCO2	ZINC001588558949	983639131	/nfs/dbraw/zinc/63/91/31/983639131.db2.gz	FXHXMBNOCRBYCJ-QWHCGFSZSA-N	-1	0	308.378	0.587	20	30		DCEDRM
C=C(C)Cn1c(N2CCO[C@@H](CC(=O)[O-])C2)nnc1C(C)(C)O	ZINC001588598670	983685432	/nfs/dbraw/zinc/68/54/32/983685432.db2.gz	KNBLPYRJEGTTII-NSHDSACASA-N	-1	0	324.381	0.762	20	30		DCEDRM
C=C(C)Cn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1[C@@]1(O)CCOC1	ZINC001588598909	983686920	/nfs/dbraw/zinc/68/69/20/983686920.db2.gz	RWRQORMZMKKYJZ-IAQYHMDHSA-N	-1	0	322.365	0.373	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(O)(c2ccnn2C)CC1	ZINC001588613677	983704710	/nfs/dbraw/zinc/70/47/10/983704710.db2.gz	BWDPSLZCZAJTLJ-UHFFFAOYSA-N	-1	0	307.350	0.651	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001596299752	983726270	/nfs/dbraw/zinc/72/62/70/983726270.db2.gz	AFCVZPHQGGUAPS-AAEUAGOBSA-N	-1	0	315.395	0.653	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1	ZINC001588629307	983736560	/nfs/dbraw/zinc/73/65/60/983736560.db2.gz	FXUUEUBHHVDZEX-UHFFFAOYSA-N	-1	0	316.317	0.931	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN(C(=O)COc2ccc(F)cc2)CC1	ZINC001588663569	983795530	/nfs/dbraw/zinc/79/55/30/983795530.db2.gz	NXXJZKIKXXTHBR-CQSZACIVSA-N	-1	0	322.336	0.988	20	30		DCEDRM
C=CC(C)(C)CC(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588673444	983830951	/nfs/dbraw/zinc/83/09/51/983830951.db2.gz	YKVBCPRFONVZFK-NEPJUHHUSA-N	-1	0	308.378	0.884	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588683837	983852190	/nfs/dbraw/zinc/85/21/90/983852190.db2.gz	FTGUKUMZDVEKRV-GOEBONIOSA-N	-1	0	311.378	0.922	20	30		DCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588735926	984021620	/nfs/dbraw/zinc/02/16/20/984021620.db2.gz	PCYZEYHRGNPPPN-MEBBXXQBSA-N	-1	0	323.349	0.289	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC001588745023	984047759	/nfs/dbraw/zinc/04/77/59/984047759.db2.gz	UATYPKZHIWLBQG-CYBMUJFWSA-N	-1	0	320.345	0.696	20	30		DCEDRM
C=CC[C@H](OC(=O)c1cnc2c(c1)NC(=O)CN2C)C(=O)[O-]	ZINC001588758232	984105446	/nfs/dbraw/zinc/10/54/46/984105446.db2.gz	FGDHTGHECPPXQR-JTQLQIEISA-N	-1	0	305.290	0.656	20	30		DCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1	ZINC001588772240	984141888	/nfs/dbraw/zinc/14/18/88/984141888.db2.gz	AZUOOVCPRVXESB-VIFPVBQESA-N	-1	0	306.322	0.481	20	30		DCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1	ZINC001588773239	984147670	/nfs/dbraw/zinc/14/76/70/984147670.db2.gz	XZGKYTUZNPZNDH-QJPTWQEYSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=CCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)C1	ZINC001588774399	984152140	/nfs/dbraw/zinc/15/21/40/984152140.db2.gz	XWUSVEKEIUBSOF-NEPJUHHUSA-N	-1	0	322.361	0.113	20	30		DCEDRM
C=CCC[C@H](NC(=O)Cn1ccc(C(=O)[O-])n1)C(=O)OCC	ZINC001588779394	984165620	/nfs/dbraw/zinc/16/56/20/984165620.db2.gz	XJQJZNKPPMWFKS-NSHDSACASA-N	-1	0	309.322	0.595	20	30		DCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588782614	984173458	/nfs/dbraw/zinc/17/34/58/984173458.db2.gz	KRHDKBBVVHMXSR-IAQYHMDHSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)[C@@H]1CC(=O)N(CC)C1)C(=O)[O-]	ZINC001588797882	984231753	/nfs/dbraw/zinc/23/17/53/984231753.db2.gz	MYMDKALIWJTEAM-GHMZBOCLSA-N	-1	0	318.395	0.336	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)nn1	ZINC001588817380	984276050	/nfs/dbraw/zinc/27/60/50/984276050.db2.gz	JJONAGPTWSYWBK-GFCCVEGCSA-N	-1	0	321.381	0.475	20	30		DCEDRM
C=CCCn1cc(CN2CC[C@H](C(=O)[O-])C[C@H]2C(=O)OC)nn1	ZINC001588820001	984280550	/nfs/dbraw/zinc/28/05/50/984280550.db2.gz	MEPIBAXXJBKLFA-AAEUAGOBSA-N	-1	0	322.365	0.692	20	30		DCEDRM
C=CCN(C[C@@H]1[C@H](C(=O)[O-])C1(F)F)[C@H]1CCS(=O)(=O)C1	ZINC001588823900	984294632	/nfs/dbraw/zinc/29/46/32/984294632.db2.gz	BOLDZBXZFXXMNB-IVZWLZJFSA-N	-1	0	309.334	0.627	20	30		DCEDRM
C=CCNC(=O)CN1CCN(c2ccc(C(=O)[O-])s2)CC1	ZINC001588844196	984356816	/nfs/dbraw/zinc/35/68/16/984356816.db2.gz	FACHHCYIZWDGIT-UHFFFAOYSA-N	-1	0	309.391	0.871	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2occc2C(=O)[O-])CC1	ZINC001588844462	984358062	/nfs/dbraw/zinc/35/80/62/984358062.db2.gz	HRBAPSSPAGRAGS-UHFFFAOYSA-N	-1	0	307.350	0.398	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1	ZINC001588849644	984373878	/nfs/dbraw/zinc/37/38/78/984373878.db2.gz	CQDLPXCPFSPJLD-NWDGAFQWSA-N	-1	0	308.334	0.080	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C1CCN(C(=O)OC)CC1)C(=O)[O-]	ZINC001588855212	984391597	/nfs/dbraw/zinc/39/15/97/984391597.db2.gz	DBZMTKDFKDHYRG-NSHDSACASA-N	-1	0	314.338	0.237	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C(F)(F)C1(O)CCCC1)C(=O)[O-]	ZINC001588856018	984396666	/nfs/dbraw/zinc/39/66/66/984396666.db2.gz	UJQHPWXQTPULMR-SECBINFHSA-N	-1	0	307.293	0.699	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cn1cnc2c1CCCC2)C(=O)[O-]	ZINC001588856913	984402530	/nfs/dbraw/zinc/40/25/30/984402530.db2.gz	RYRRUTQUZCVGAK-LBPRGKRZSA-N	-1	0	307.350	0.534	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cn1)C(=O)[O-]	ZINC001588859847	984408753	/nfs/dbraw/zinc/40/87/53/984408753.db2.gz	YUNWZTBJWPXKJS-CYBMUJFWSA-N	-1	0	316.317	0.857	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)Cc1nocc1C)C(=O)[O-]	ZINC001588866897	984428869	/nfs/dbraw/zinc/42/88/69/984428869.db2.gz	RYNGVNDNKYWAAK-SECBINFHSA-N	-1	0	304.324	0.058	20	30		DCEDRM
C=CCOCc1nnc(N2CCO[C@H](C(=O)[O-])C2)n1CC=C	ZINC001588868363	984432137	/nfs/dbraw/zinc/43/21/37/984432137.db2.gz	ASDUIQQAVOEQBD-NSHDSACASA-N	-1	0	308.338	0.457	20	30		DCEDRM
C=CCOCCNS(=O)(=O)c1ccc(OC)cc1C(=O)[O-]	ZINC001588868481	984433129	/nfs/dbraw/zinc/43/31/29/984433129.db2.gz	HBZLMVINXDXFAC-UHFFFAOYSA-N	-1	0	315.347	0.874	20	30		DCEDRM
C=CCn1c(-c2ncnn2C)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588891615	984488745	/nfs/dbraw/zinc/48/87/45/984488745.db2.gz	OLBMLDAWBOYPHN-NXEZZACHSA-N	-1	0	317.353	0.417	20	30		DCEDRM
C=CCn1c(C)nnc1S(=O)(=O)Cc1ccc(C(=O)[O-])cn1	ZINC001588896078	984498493	/nfs/dbraw/zinc/49/84/93/984498493.db2.gz	FQQLXEFSGFQWLR-UHFFFAOYSA-N	-1	0	322.346	0.840	20	30		DCEDRM
C=CCn1c([C@@H](O)C(C)C)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588896919	984505625	/nfs/dbraw/zinc/50/56/25/984505625.db2.gz	VPEWIZZROLLXSO-XHDPSFHLSA-N	-1	0	324.381	0.833	20	30		DCEDRM
C=CCn1c(CC)nnc1N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588897516	984511133	/nfs/dbraw/zinc/51/11/33/984511133.db2.gz	LDZXMNCIZJRXBO-VHSXEESVSA-N	-1	0	308.338	0.337	20	30		DCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588900152	984520120	/nfs/dbraw/zinc/52/01/20/984520120.db2.gz	BQQWSXYYVZTASL-IINYFYTJSA-N	-1	0	310.354	0.067	20	30		DCEDRM
C=CCn1c(Cc2cc[nH]n2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588904286	984528404	/nfs/dbraw/zinc/52/84/04/984528404.db2.gz	NQBTUMJWENIXBO-LLVKDONJSA-N	-1	0	318.337	0.068	20	30		DCEDRM
C=CCn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1C1(CO)CCC1	ZINC001588905178	984536151	/nfs/dbraw/zinc/53/61/51/984536151.db2.gz	SCFVJEHMOHNSTC-LLVKDONJSA-N	-1	0	322.365	0.168	20	30		DCEDRM
C=CCn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1C1(O)CCC1	ZINC001588905635	984537544	/nfs/dbraw/zinc/53/75/44/984537544.db2.gz	ZJRVATAKXXMACI-JTQLQIEISA-N	-1	0	308.338	0.125	20	30		DCEDRM
C=CCn1cc(CNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)nn1	ZINC001588909631	984545205	/nfs/dbraw/zinc/54/52/05/984545205.db2.gz	ZMISMDCBRYJYCV-WFFHOREQSA-N	-1	0	319.365	0.763	20	30		DCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)c2nccn2C)on1	ZINC001524716592	1015044440	/nfs/dbraw/zinc/04/44/40/1015044440.db2.gz	CWNFWGBPWNJYHH-SSDOTTSWSA-N	-1	0	302.246	0.400	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1	ZINC001588917964	984568592	/nfs/dbraw/zinc/56/85/92/984568592.db2.gz	MUPMUWQTMNERHP-SKDRFNHKSA-N	-1	0	306.322	0.560	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588925649	984588109	/nfs/dbraw/zinc/58/81/09/984588109.db2.gz	UIYXNBXOCJHZAE-UTUOFQBUSA-N	-1	0	303.380	0.324	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC001588926054	984590932	/nfs/dbraw/zinc/59/09/32/984590932.db2.gz	HEIYNGSGSPFRLG-SECBINFHSA-N	-1	0	324.358	0.584	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CC(N(C)C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001384460303	985600394	/nfs/dbraw/zinc/60/03/94/985600394.db2.gz	LUKFYOMJRRDCKP-WFRXLMHJSA-N	-1	0	305.338	0.303	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1CN(C(=O)c2cnc[nH]c2=O)CC1(C)C	ZINC001450451415	1015145501	/nfs/dbraw/zinc/14/55/01/1015145501.db2.gz	PFOHUAQGKWXHFX-KOLCDFICSA-N	-1	0	317.349	0.309	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001384549119	985655337	/nfs/dbraw/zinc/65/53/37/985655337.db2.gz	QLBLJGHECOJRFV-UJNFCWOMSA-N	-1	0	305.338	0.208	20	30		DCEDRM
CC(=O)Nc1cnccc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001589223730	985739924	/nfs/dbraw/zinc/73/99/24/985739924.db2.gz	XGHULGOJALFHGL-UHFFFAOYSA-N	-1	0	316.317	0.871	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC(CNc2ccnc(C(=O)[O-])n2)CC1	ZINC001589323804	986150153	/nfs/dbraw/zinc/15/01/53/986150153.db2.gz	NQEBWNKZCRZJQQ-SNVBAGLBSA-N	-1	0	317.349	0.407	20	30		DCEDRM
C[C@H](C#N)C(=O)N(C)C1CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001589323848	986151331	/nfs/dbraw/zinc/15/13/31/986151331.db2.gz	PAJOYTCXIFDIPG-SNVBAGLBSA-N	-1	0	317.349	0.762	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNc1ccnc(C(=O)[O-])n1	ZINC001589328541	986156685	/nfs/dbraw/zinc/15/66/85/986156685.db2.gz	BQULATUDRLPQDS-WDEREUQCSA-N	-1	0	317.349	0.549	20	30		DCEDRM
C[C@H](C(=O)[O-])N(C1CCC1)S(=O)(=O)N(C)C[C@H](C)C#N	ZINC001589330664	986175838	/nfs/dbraw/zinc/17/58/38/986175838.db2.gz	MSFOCKJKHMIRLB-NXEZZACHSA-N	-1	0	303.384	0.650	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C	ZINC001589330608	986175940	/nfs/dbraw/zinc/17/59/40/986175940.db2.gz	KXOMUABJCGZTON-VIFPVBQESA-N	-1	0	318.333	0.665	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001589330614	986176034	/nfs/dbraw/zinc/17/60/34/986176034.db2.gz	KZNKSRDNDBKCRC-ZJUUUORDSA-N	-1	0	321.424	0.072	20	30		DCEDRM
C[C@H](C(=O)N[C@@H](C(=O)[O-])c1cccs1)n1cnc(C#N)n1	ZINC001589378863	986450551	/nfs/dbraw/zinc/45/05/51/986450551.db2.gz	UMHBBIFPEWMFJV-GMSGAONNSA-N	-1	0	305.319	0.714	20	30		DCEDRM
C[C@H](C(=O)NCC(=O)[O-])N1CCc2c(C#N)c(N)sc2C1	ZINC001589401952	986575476	/nfs/dbraw/zinc/57/54/76/986575476.db2.gz	ZGJFQYYHDDVYPC-SSDOTTSWSA-N	-1	0	308.363	0.149	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](CNC(=O)[C@H](C)C#N)C2CC2)c1[O-]	ZINC001385776770	986588255	/nfs/dbraw/zinc/58/82/55/986588255.db2.gz	FNTRAPFZLNFFAN-XCBNKYQSSA-N	-1	0	305.338	0.208	20	30		DCEDRM
C[C@@H](C(=O)NCC1(CC(=O)[O-])CCOCC1)n1cnc(C#N)n1	ZINC001589405833	986589592	/nfs/dbraw/zinc/58/95/92/986589592.db2.gz	AFUIDLIEWOAFID-JTQLQIEISA-N	-1	0	321.337	0.098	20	30		DCEDRM
C[C@H](C(=O)[O-])N(C1CCC1)S(=O)(=O)c1ccc(C#N)nc1	ZINC001589480127	987015994	/nfs/dbraw/zinc/01/59/94/987015994.db2.gz	XYSQUTVLXIWZDH-SECBINFHSA-N	-1	0	309.347	0.970	20	30		DCEDRM
CNC(=O)[C@H](CCSC)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001450645778	1015271448	/nfs/dbraw/zinc/27/14/48/1015271448.db2.gz	JTPRWMVDPZHDQX-JTQLQIEISA-N	-1	0	322.390	0.565	20	30		DCEDRM
CCc1ccc(C#CC(=O)N(CC(=O)[O-])CC(=O)OC)cc1	ZINC001597495607	988044326	/nfs/dbraw/zinc/04/43/26/988044326.db2.gz	XULUQAGMQJEYFG-UHFFFAOYSA-N	-1	0	303.314	0.687	20	30		DCEDRM
CC(C)(C)N1C[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1=O	ZINC001589796494	988195848	/nfs/dbraw/zinc/19/58/48/988195848.db2.gz	ROEXLTOOFWIORT-LLVKDONJSA-N	-1	0	321.377	0.850	20	30		DCEDRM
CCc1n[nH]c(=O)c(C(=O)N(CC#N)CCC(=O)[O-])c1CC	ZINC001597641800	988641150	/nfs/dbraw/zinc/64/11/50/988641150.db2.gz	KFDARHRHDJZYEE-UHFFFAOYSA-N	-1	0	306.322	0.747	20	30		DCEDRM
CCc1nn(C[C@@H]2CC(C(=O)[O-])=NO2)c(=O)c(C#N)c1CC	ZINC001597723603	989010376	/nfs/dbraw/zinc/01/03/76/989010376.db2.gz	NYURQMYHKFKMFX-QMMMGPOBSA-N	-1	0	304.306	0.469	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC001590298041	989727430	/nfs/dbraw/zinc/72/74/30/989727430.db2.gz	YMNPQIQIQMJFCW-MGCOHNPYSA-N	-1	0	311.338	0.726	20	30		DCEDRM
CN(C(=O)Cn1cccc(C(=O)[O-])c1=O)[C@H]1CCC[C@H]1C#N	ZINC001598041694	990276710	/nfs/dbraw/zinc/27/67/10/990276710.db2.gz	UTSCVMJIMBGTAX-JQWIXIFHSA-N	-1	0	303.318	0.697	20	30		DCEDRM
CC(C)(CNC(=O)C(=O)N1CCC(C)(C#N)CC1)CC(=O)[O-]	ZINC001590702143	990422124	/nfs/dbraw/zinc/42/21/24/990422124.db2.gz	AGNJMWOPGZEXAS-UHFFFAOYSA-N	-1	0	309.366	0.756	20	30		DCEDRM
C[S@](=N)(=O)N1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC001599742346	991877715	/nfs/dbraw/zinc/87/77/15/991877715.db2.gz	HCXQXHCTBWYWCZ-WHEQGISXSA-N	-1	0	322.390	0.893	20	30		DCEDRM
CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc(C#N)nn1	ZINC001598478986	992119272	/nfs/dbraw/zinc/11/92/72/992119272.db2.gz	FXWILGZXSQFODU-GHMZBOCLSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001598485205	992195881	/nfs/dbraw/zinc/19/58/81/992195881.db2.gz	PKOMMJZESVFZNT-RYUDHWBXSA-N	-1	0	302.334	0.569	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1ccc(C#N)n1C)C(=O)[O-]	ZINC001591463085	992577338	/nfs/dbraw/zinc/57/73/38/992577338.db2.gz	BYRHYMVERBXHDO-NSHDSACASA-N	-1	0	320.349	0.242	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001598525264	992712015	/nfs/dbraw/zinc/71/20/15/992712015.db2.gz	DCASRDLLCLVGLI-ZDUSSCGKSA-N	-1	0	315.329	0.450	20	30		DCEDRM
CC(C)N(CCC#N)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001591574651	992784684	/nfs/dbraw/zinc/78/46/84/992784684.db2.gz	PQCZHVMYXWICBF-UHFFFAOYSA-N	-1	0	307.310	0.207	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@H](NCc1n[nH]c(=O)[n-]1)c1ccccc1	ZINC001400076501	994136611	/nfs/dbraw/zinc/13/66/11/994136611.db2.gz	BHMLGMGZMXPMED-JQWIXIFHSA-N	-1	0	314.349	0.617	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@](OC)(C(=O)[O-])C1	ZINC001598714520	995388984	/nfs/dbraw/zinc/38/89/84/995388984.db2.gz	WAFBRGOXFJRWNQ-XJKSGUPXSA-N	-1	0	318.329	0.948	20	30		DCEDRM
COC(=O)[C@H]1[C@H](O)CCCN1Cc1cccc(C(=O)[O-])c1C#N	ZINC001598740840	995561551	/nfs/dbraw/zinc/56/15/51/995561551.db2.gz	GOHYPZDBGCOJFP-ZIAGYGMSSA-N	-1	0	318.329	0.755	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)COCC(=O)[O-]	ZINC001593533222	995578943	/nfs/dbraw/zinc/57/89/43/995578943.db2.gz	AUHIFVKKUDUJAL-ZANVPECISA-N	-1	0	300.311	0.074	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1Cc1ccnc(C#N)c1	ZINC001598762140	995788523	/nfs/dbraw/zinc/78/85/23/995788523.db2.gz	ULUJQMITCNFNLV-WCQYABFASA-N	-1	0	303.318	0.791	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001593610632	995803757	/nfs/dbraw/zinc/80/37/57/995803757.db2.gz	GAXIMVSEQWUBRE-LEWSCRJBSA-N	-1	0	318.329	0.762	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(C#N)n2C)C1	ZINC001598769025	995865548	/nfs/dbraw/zinc/86/55/48/995865548.db2.gz	COYJXASCFOLIJA-JOYOIKCWSA-N	-1	0	319.317	0.375	20	30		DCEDRM
COC(C)(C)C[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001465477027	1016002948	/nfs/dbraw/zinc/00/29/48/1016002948.db2.gz	UOXPZLLLLYGAFM-VIFPVBQESA-N	-1	0	308.338	0.140	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)C[C@@H]1C(=O)[O-]	ZINC001598805430	996181150	/nfs/dbraw/zinc/18/11/50/996181150.db2.gz	CDSGMCIPTPJCBU-QWHCGFSZSA-N	-1	0	316.313	0.433	20	30		DCEDRM
Cc1nc(C)c(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001465685003	1016015806	/nfs/dbraw/zinc/01/58/06/1016015806.db2.gz	HECRYTXFXZSBDP-UHFFFAOYSA-N	-1	0	319.346	0.923	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)CCO1	ZINC001593743123	996365600	/nfs/dbraw/zinc/36/56/00/996365600.db2.gz	KDTGGXCTIOSNCK-LBPRGKRZSA-N	-1	0	316.379	0.576	20	30		DCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CCO1	ZINC001593743567	996368837	/nfs/dbraw/zinc/36/88/37/996368837.db2.gz	ULOFDAOGPCEMPI-LLVKDONJSA-N	-1	0	316.360	0.749	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)CCO1	ZINC001593743590	996369689	/nfs/dbraw/zinc/36/96/89/996369689.db2.gz	VGQQDHFZDBOTMW-LBPRGKRZSA-N	-1	0	311.319	0.083	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2nc3ccccn3c2C#N)C[C@H]1C(=O)[O-]	ZINC001598827371	996397392	/nfs/dbraw/zinc/39/73/92/996397392.db2.gz	MYWDWCJHNXYRBX-NXEZZACHSA-N	-1	0	314.301	0.516	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC001599193500	997172428	/nfs/dbraw/zinc/17/24/28/997172428.db2.gz	PCJNSFPKZUFBIX-GJZGRUSLSA-N	-1	0	309.366	0.360	20	30		DCEDRM
CON=Cc1ccc(C(=O)NC2(C(=O)[O-])CC(CO)C2)cc1	ZINC001599320602	997574159	/nfs/dbraw/zinc/57/41/59/997574159.db2.gz	LBKJUQMUCLESIF-UHFFFAOYSA-N	-1	0	306.318	0.622	20	30		DCEDRM
COc1c(C(=O)[O-])ncnc1N1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC001599330995	997748321	/nfs/dbraw/zinc/74/83/21/997748321.db2.gz	ARQUCGYMDCTSSY-AOOOYVTPSA-N	-1	0	305.338	0.606	20	30		DCEDRM
CO[C@@H]1CN(C(=O)c2cnn(CCC#N)c2C)[C@@](C)(C(=O)[O-])C1	ZINC001599133141	997988110	/nfs/dbraw/zinc/98/81/10/997988110.db2.gz	KSSWNXZXLSWOHK-XHDPSFHLSA-N	-1	0	320.349	0.809	20	30		DCEDRM
COC[C@](C)(NS(=O)(=O)c1c(C)cccc1C#N)C(=O)[O-]	ZINC001599155142	998360175	/nfs/dbraw/zinc/36/01/75/998360175.db2.gz	LEQAFUNBINTNFB-ZDUSSCGKSA-N	-1	0	312.347	0.635	20	30		DCEDRM
C[C@@H]1C[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c2ncnn21	ZINC001594253624	998976394	/nfs/dbraw/zinc/97/63/94/998976394.db2.gz	RJEWIFUJTJTVCJ-ZJUUUORDSA-N	-1	0	318.337	0.684	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c(=O)[n-]c1=O	ZINC001469183125	1016317627	/nfs/dbraw/zinc/31/76/27/1016317627.db2.gz	BPRDXMOSXFHIEP-WCQYABFASA-N	-1	0	316.361	0.906	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F	ZINC001469733858	1016361393	/nfs/dbraw/zinc/36/13/93/1016361393.db2.gz	VVWRAMPBTUVLKV-JOYOIKCWSA-N	-1	0	323.324	0.422	20	30		DCEDRM
COc1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1C	ZINC001470124743	1016389131	/nfs/dbraw/zinc/38/91/31/1016389131.db2.gz	VUIJQHOJXSHXEZ-UHFFFAOYSA-N	-1	0	314.301	0.776	20	30		DCEDRM
CSCC[C@H](NC(=O)c1cc(C#N)ccn1)c1nnn[n-]1	ZINC001418526987	1000314748	/nfs/dbraw/zinc/31/47/48/1000314748.db2.gz	LMVCEEVJYXJWRF-VIFPVBQESA-N	-1	0	303.351	0.691	20	30		DCEDRM
Cc1cc(C)c(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)[nH]1	ZINC001470359974	1016424199	/nfs/dbraw/zinc/42/41/99/1016424199.db2.gz	ABPUGOVOTNPCER-UHFFFAOYSA-N	-1	0	301.306	0.196	20	30		DCEDRM
COC(=O)c1ncoc1CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001471488784	1016589354	/nfs/dbraw/zinc/58/93/54/1016589354.db2.gz	XVIZHXBSTGMJNI-UHFFFAOYSA-N	-1	0	316.273	0.672	20	30		DCEDRM
Cc1ccc([C@@H](O)[C@@H](C)Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001421164558	1003397044	/nfs/dbraw/zinc/39/70/44/1003397044.db2.gz	BNJWPNGORKZWSQ-MFKMUULPSA-N	-1	0	314.345	0.788	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H](CNC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001428372765	1003896442	/nfs/dbraw/zinc/89/64/42/1003896442.db2.gz	YFGZIFYDBHUKHA-MWLCHTKSSA-N	-1	0	319.365	0.552	20	30		DCEDRM
COC(=O)c1[nH]cnc1NC(=O)c1cnn(CCC#N)c1C	ZINC001436231920	1006102500	/nfs/dbraw/zinc/10/25/00/1006102500.db2.gz	ZQRQVCMXTFPHIO-UHFFFAOYSA-N	-1	0	302.294	0.867	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@@](O)(CC#N)C2)cc1C#N	ZINC001418179036	1006135276	/nfs/dbraw/zinc/13/52/76/1006135276.db2.gz	HQQJMHCHPMQWKD-AWEZNQCLSA-N	-1	0	318.358	0.871	20	30		DCEDRM
CCc1cc(=O)n2nc(NC(=O)c3cc(C#N)ccn3)[n-]c2n1	ZINC001438066990	1007615089	/nfs/dbraw/zinc/61/50/89/1007615089.db2.gz	RYBBPHHEBFMYDX-UHFFFAOYSA-N	-1	0	309.289	0.499	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C[C@H]2CC=CCC2)c(=O)[n-]c1=O	ZINC001453838692	1008749555	/nfs/dbraw/zinc/74/95/55/1008749555.db2.gz	CLALOBRHDOHPRU-NSHDSACASA-N	-1	0	302.334	0.683	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CSc2n[nH]c(=O)[n-]2)c(F)c1	ZINC001433667978	1009048693	/nfs/dbraw/zinc/04/86/93/1009048693.db2.gz	DIWKCJQUVUEHJD-UHFFFAOYSA-N	-1	0	307.310	0.930	20	30		DCEDRM
COC(=O)C[C@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CCO1	ZINC001433756047	1009148818	/nfs/dbraw/zinc/14/88/18/1009148818.db2.gz	ONFSBHAWLDBYQA-NSHDSACASA-N	-1	0	319.317	0.371	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)c2sccc2S(N)(=O)=O)c1	ZINC001454683575	1009261911	/nfs/dbraw/zinc/26/19/11/1009261911.db2.gz	QYRQNBVOVRZQOW-UHFFFAOYSA-N	-1	0	323.355	0.991	20	30		DCEDRM
N#C[C@]1(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CCCOC1	ZINC001433907822	1009336011	/nfs/dbraw/zinc/33/60/11/1009336011.db2.gz	XYZCASWKSHAYCG-CQSZACIVSA-N	-1	0	314.305	0.627	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cc(C3CC3)ccn2)c(=O)[n-]c1=O	ZINC001434033099	1009476572	/nfs/dbraw/zinc/47/65/72/1009476572.db2.gz	ZOPVAEYEBIGUEA-UHFFFAOYSA-N	-1	0	311.301	0.732	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1	ZINC001455559543	1009816502	/nfs/dbraw/zinc/81/65/02/1009816502.db2.gz	NDDOXKSXYXQZKE-UTUOFQBUSA-N	-1	0	303.318	0.501	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2ccc3c(c2)CCC(=O)N3)c(C#N)c1=O	ZINC001434434922	1009948972	/nfs/dbraw/zinc/94/89/72/1009948972.db2.gz	MEMQXDUWINTYFS-UHFFFAOYSA-N	-1	0	312.285	0.622	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2COC3(CCCC3)O2)c(C#N)c1=O	ZINC001434442364	1009959304	/nfs/dbraw/zinc/95/93/04/1009959304.db2.gz	FXCBQLIPAFZOKL-SECBINFHSA-N	-1	0	306.322	0.043	20	30		DCEDRM
CC1(C)C[S@](=O)CCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001434483462	1010015717	/nfs/dbraw/zinc/01/57/17/1010015717.db2.gz	HRBNUWOBAZZKBS-JOCHJYFZSA-N	-1	0	319.390	0.649	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H](C(=O)N(C)C)C1	ZINC001456154389	1010108648	/nfs/dbraw/zinc/10/86/48/1010108648.db2.gz	SAXBJWLDCCECSO-NSHDSACASA-N	-1	0	316.361	0.908	20	30		DCEDRM
CCCC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@@H](C)C#N	ZINC001443144456	1010172754	/nfs/dbraw/zinc/17/27/54/1010172754.db2.gz	UEYNWFBXDDRUAX-ONGXEEELSA-N	-1	0	321.381	0.988	20	30		DCEDRM
CCCC[C@@H](COC)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001444326410	1010965375	/nfs/dbraw/zinc/96/53/75/1010965375.db2.gz	XCLSIXUEHKHQMY-NSHDSACASA-N	-1	0	308.338	0.142	20	30		DCEDRM
C#CC1(O)CN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1	ZINC001456808820	1011471321	/nfs/dbraw/zinc/47/13/21/1011471321.db2.gz	JDVARDVVYMBNTG-UHFFFAOYSA-N	-1	0	301.277	0.537	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)[N-]N1Cc2ccccc2C1=O	ZINC001475376635	1017102160	/nfs/dbraw/zinc/10/21/60/1017102160.db2.gz	AXPJEKQDQLOCIE-UHFFFAOYSA-N	-1	0	314.326	0.803	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1noc2c1COCC2	ZINC001515188869	1017106345	/nfs/dbraw/zinc/10/63/45/1017106345.db2.gz	NDFMCBGSWRJENU-SNVBAGLBSA-N	-1	0	321.333	0.613	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2ccc(N3CCC3=O)cc2)c(C#N)c1=O	ZINC001458348027	1012147053	/nfs/dbraw/zinc/14/70/53/1012147053.db2.gz	XJKOZZZHUNICGO-UHFFFAOYSA-N	-1	0	311.301	0.426	20	30		DCEDRM
Cn1c(=O)[n-]c(N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c(C#N)c1=O	ZINC001458665109	1012276039	/nfs/dbraw/zinc/27/60/39/1012276039.db2.gz	QAOMOHICSZOBGC-AXPHHGHSSA-N	-1	0	300.362	0.818	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(NC(=O)[C@@H](C)C#N)CCCC2)c1[O-]	ZINC001432845915	1012952852	/nfs/dbraw/zinc/95/28/52/1012952852.db2.gz	HQYAENDPPFDDOZ-VIFPVBQESA-N	-1	0	319.365	0.742	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@](C)(CNC(=O)[C@@H](C)C#N)C2CC2)c1[O-]	ZINC001432857306	1012962013	/nfs/dbraw/zinc/96/20/13/1012962013.db2.gz	CZTDHLJDDWTRLE-AYVTZFPOSA-N	-1	0	319.365	0.598	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(F)F)n(C)n1	ZINC001515345475	1017117995	/nfs/dbraw/zinc/11/79/95/1017117995.db2.gz	YGHCYPFAUSTZFT-ZETCQYMHSA-N	-1	0	300.265	0.443	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(CO)CC1	ZINC001515804463	1017132707	/nfs/dbraw/zinc/13/27/07/1017132707.db2.gz	PCKHYCUCPJXNNX-UHFFFAOYSA-N	-1	0	318.381	0.287	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001494682952	1017942442	/nfs/dbraw/zinc/94/24/42/1017942442.db2.gz	ZQGXPHOFOFFDRU-ONGXEEELSA-N	-1	0	324.381	0.639	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001480251395	1018362044	/nfs/dbraw/zinc/36/20/44/1018362044.db2.gz	PXOBXJVRGFLSEN-XHDPSFHLSA-N	-1	0	323.397	0.166	20	30		DCEDRM
N#Cc1ccc(CN(C(=O)C(=O)NCCC(=O)[O-])C2CC2)cc1	ZINC000420602636	240048798	/nfs/dbraw/zinc/04/87/98/240048798.db2.gz	SJEKCWFMRFTWJJ-UHFFFAOYSA-N	-1	0	315.329	0.640	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cn1	ZINC000275296053	212254880	/nfs/dbraw/zinc/25/48/80/212254880.db2.gz	PXIXTPOBGRFBDQ-MRVPVSSYSA-N	-1	0	323.252	0.637	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)OC)s1	ZINC000275269541	212237445	/nfs/dbraw/zinc/23/74/45/212237445.db2.gz	JVSLKZDJWUXPFS-UHFFFAOYSA-N	-1	0	319.360	0.796	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-]	ZINC000275049716	212094773	/nfs/dbraw/zinc/09/47/73/212094773.db2.gz	SEULGTNVRZAOGH-SECBINFHSA-N	-1	0	315.303	0.211	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000274992010	212061979	/nfs/dbraw/zinc/06/19/79/212061979.db2.gz	KVPWMKDDSIITST-GFCCVEGCSA-N	-1	0	310.331	0.659	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC2CN(C(C)=O)C2)cc1C#N	ZINC000349752473	254295835	/nfs/dbraw/zinc/29/58/35/254295835.db2.gz	AZPNEKTYVLMUFL-UHFFFAOYSA-N	-1	0	306.347	0.341	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)CCCC#N	ZINC000275193096	533347199	/nfs/dbraw/zinc/34/71/99/533347199.db2.gz	ZXNVPKRMOJWZCM-NSHDSACASA-N	-1	0	311.363	0.990	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C#N)cnn1C	ZINC000187729552	533507140	/nfs/dbraw/zinc/50/71/40/533507140.db2.gz	BHCDYBTZMCBHHN-UHFFFAOYSA-N	-1	0	317.330	0.973	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000043703072	395754146	/nfs/dbraw/zinc/75/41/46/395754146.db2.gz	XVXQRPOFNPIONU-GFCCVEGCSA-N	-1	0	310.331	0.173	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000114942714	395837748	/nfs/dbraw/zinc/83/77/48/395837748.db2.gz	HONWYDFLYJJHSA-QMMMGPOBSA-N	-1	0	300.292	0.902	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])s1	ZINC000230323261	395880052	/nfs/dbraw/zinc/88/00/52/395880052.db2.gz	SVJSXORWMARADQ-ZETCQYMHSA-N	-1	0	304.374	0.768	20	30		DCEDRM
N#Cc1nc(NC(=O)COc2ccc(C(N)=O)cc2)[n-]c1C#N	ZINC000066044683	396000134	/nfs/dbraw/zinc/00/01/34/396000134.db2.gz	PVWVLBRIEZKQNP-UHFFFAOYSA-N	-1	0	310.273	0.269	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1	ZINC000155630934	396055748	/nfs/dbraw/zinc/05/57/48/396055748.db2.gz	DGZFQPYGBTXQJQ-GFCCVEGCSA-N	-1	0	311.349	0.889	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000262144867	396104436	/nfs/dbraw/zinc/10/44/36/396104436.db2.gz	MMWIKIUXHZTCEH-AWEZNQCLSA-N	-1	0	304.302	0.925	20	30		DCEDRM
C=CCCSCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000595276030	396576855	/nfs/dbraw/zinc/57/68/55/396576855.db2.gz	JWNFYHVMEULNHL-JTQLQIEISA-N	-1	0	300.380	0.345	20	30		DCEDRM
CCN([C@H](C)C#N)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000595357844	396594863	/nfs/dbraw/zinc/59/48/63/396594863.db2.gz	PLSQDZAEQJQVLS-SSDOTTSWSA-N	-1	0	323.334	0.359	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)c1	ZINC000563430222	396732986	/nfs/dbraw/zinc/73/29/86/396732986.db2.gz	DJHKTJVZSVATOO-WCQYABFASA-N	-1	0	324.358	0.404	20	30		DCEDRM
Cn1[n-]c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1=O	ZINC000596705222	396820364	/nfs/dbraw/zinc/82/03/64/396820364.db2.gz	JHXKZMMYELXVIO-UHFFFAOYSA-N	-1	0	312.333	0.355	20	30		DCEDRM
CC1(C)CN(S(=O)(=O)CC2(C#N)CC2)[C@H](C(=O)[O-])CO1	ZINC000590899021	396853410	/nfs/dbraw/zinc/85/34/10/396853410.db2.gz	FEBOYICNYORTJH-VIFPVBQESA-N	-1	0	302.352	0.184	20	30		DCEDRM
N#CCCN(CC1CC1)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597142230	396898483	/nfs/dbraw/zinc/89/84/83/396898483.db2.gz	NWUVPROCDJFMTF-UHFFFAOYSA-N	-1	0	323.374	0.805	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC000600661721	396908811	/nfs/dbraw/zinc/90/88/11/396908811.db2.gz	YWETWOXFSOBLRC-YUMQZZPRSA-N	-1	0	311.310	0.117	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)NCc2cccc(C(=O)[O-])c2)C1	ZINC000591457572	396924319	/nfs/dbraw/zinc/92/43/19/396924319.db2.gz	YZUVJGMIOMKOAZ-OAHLLOKOSA-N	-1	0	319.292	0.465	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)[O-]	ZINC000630318627	396984766	/nfs/dbraw/zinc/98/47/66/396984766.db2.gz	KODKTZAIAKKOKB-MRVPVSSYSA-N	-1	0	318.376	0.545	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1	ZINC000619470386	397135332	/nfs/dbraw/zinc/13/53/32/397135332.db2.gz	MHWAOIDAUOPBCF-DGCLKSJQSA-N	-1	0	324.358	0.521	20	30		DCEDRM
CSCC[C@H](C)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602102715	397300613	/nfs/dbraw/zinc/30/06/13/397300613.db2.gz	LPCMBNJEIUUVFF-JTQLQIEISA-N	-1	0	324.406	0.811	20	30		DCEDRM
C[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@@H](C)C1	ZINC000602130840	397312470	/nfs/dbraw/zinc/31/24/70/397312470.db2.gz	XZQZQCGPLOVMJE-QWRGUYRKSA-N	-1	0	304.350	0.715	20	30		DCEDRM
C[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1C	ZINC000602133475	397313693	/nfs/dbraw/zinc/31/36/93/397313693.db2.gz	PFOJMBVBSWKDTL-WDEREUQCSA-N	-1	0	304.350	0.715	20	30		DCEDRM
C=CCCOCC[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599265916	397382603	/nfs/dbraw/zinc/38/26/03/397382603.db2.gz	LXTAXMGQFPLIKQ-UHFFFAOYSA-N	-1	0	304.324	0.332	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599322890	397406014	/nfs/dbraw/zinc/40/60/14/397406014.db2.gz	XAGVDDPDHLVIOT-SCZZXKLOSA-N	-1	0	316.335	0.473	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-]	ZINC000578320447	397419402	/nfs/dbraw/zinc/41/94/02/397419402.db2.gz	UTAIHEANYUALST-NSHDSACASA-N	-1	0	316.335	0.024	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000594526534	397564812	/nfs/dbraw/zinc/56/48/12/397564812.db2.gz	AJWHUDHOZITLMC-QMMMGPOBSA-N	-1	0	305.290	0.342	20	30		DCEDRM
N#CCOc1ccc(C=CC(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000493403285	397527282	/nfs/dbraw/zinc/52/72/82/397527282.db2.gz	SNKPNUCZRDCYMC-ZZXKWVIFSA-N	-1	0	314.301	0.637	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(CNC(N)=O)cc2)[n-]c1C#N	ZINC000603550622	397616048	/nfs/dbraw/zinc/61/60/48/397616048.db2.gz	DIWXLMDIROBCHS-UHFFFAOYSA-N	-1	0	309.289	0.574	20	30		DCEDRM
C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000168600926	158372692	/nfs/dbraw/zinc/37/26/92/158372692.db2.gz	UICPHHHNLLXSPS-QUBYGPBYSA-N	-1	0	318.738	0.324	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1	ZINC000317063017	159003633	/nfs/dbraw/zinc/00/36/33/159003633.db2.gz	MIHAFCLDHXNZEQ-ZDUSSCGKSA-N	-1	0	324.358	0.564	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)c1cc(C#N)ccc1C)CC(=O)[O-]	ZINC000232107775	287064217	/nfs/dbraw/zinc/06/42/17/287064217.db2.gz	VXNRIXOSNKAVKW-NSHDSACASA-N	-1	0	312.347	0.635	20	30		DCEDRM
N#C[C@H]1COCCN1C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1	ZINC000267082685	415140752	/nfs/dbraw/zinc/14/07/52/415140752.db2.gz	KMRQTLZUINCMNK-VIFPVBQESA-N	-1	0	316.342	0.989	20	30		DCEDRM
Cc1nn(C)c2nc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)ccc12	ZINC000342339460	415141462	/nfs/dbraw/zinc/14/14/62/415141462.db2.gz	XOYCYCUEFNRQRH-UHFFFAOYSA-N	-1	0	306.289	0.995	20	30		DCEDRM
CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000342558507	415211964	/nfs/dbraw/zinc/21/19/64/415211964.db2.gz	PGYTZWQLBMEHHE-UHFFFAOYSA-N	-1	0	306.303	0.727	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C2(C#N)CCCC2)C1=O	ZINC000353132187	415450090	/nfs/dbraw/zinc/45/00/90/415450090.db2.gz	XFLOCPACXDAKAC-RYUDHWBXSA-N	-1	0	321.377	0.897	20	30		DCEDRM
CSCC[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287351916	415660843	/nfs/dbraw/zinc/66/08/43/415660843.db2.gz	XNVKUSAIKSMZGS-MRVPVSSYSA-N	-1	0	304.349	0.636	20	30		DCEDRM
C#C[C@H](C)[N-]S(=O)(=O)[C@@H](CC(=O)OCC)C(F)(F)F	ZINC000289121926	415700665	/nfs/dbraw/zinc/70/06/65/415700665.db2.gz	KQCCMDWOGUOSPN-YUMQZZPRSA-N	-1	0	301.286	0.812	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2c(C#N)cnn2C)c[nH]1	ZINC000354105310	415754978	/nfs/dbraw/zinc/75/49/78/415754978.db2.gz	ZDHDGBZZGXOLEP-UHFFFAOYSA-N	-1	0	309.307	0.207	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CC(c2cc(OC)ccc2OC)=NO1	ZINC000291250510	415829582	/nfs/dbraw/zinc/82/95/82/415829582.db2.gz	LZQRJFNCVMXEEG-AWEZNQCLSA-N	-1	0	304.302	0.878	20	30		DCEDRM
CC#CCN(C)C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC000294728386	415874173	/nfs/dbraw/zinc/87/41/73/415874173.db2.gz	ZGDZHSBHPTVNQD-UHFFFAOYSA-N	-1	0	311.345	0.972	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H](C(N)=O)C(C)C)cc1C#N	ZINC000337380920	415953889	/nfs/dbraw/zinc/95/38/89/415953889.db2.gz	AQZJNWHMWBBEQV-SECBINFHSA-N	-1	0	308.363	0.620	20	30		DCEDRM
Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)nn1-c1cccc(C#N)c1	ZINC000356621593	415964278	/nfs/dbraw/zinc/96/42/78/415964278.db2.gz	PDQCNVNSYRNMCG-UHFFFAOYSA-N	-1	0	323.316	0.806	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2ncc(C(N)=O)s2)c1	ZINC000357399968	416074743	/nfs/dbraw/zinc/07/47/43/416074743.db2.gz	LEKBIUSIFJYGJS-UHFFFAOYSA-N	-1	0	309.332	0.309	20	30		DCEDRM
CC#CCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000339346800	416156914	/nfs/dbraw/zinc/15/69/14/416156914.db2.gz	QIQSRVNPQNUJCL-UHFFFAOYSA-N	-1	0	302.302	0.383	20	30		DCEDRM
CCCN(CC(=O)NC)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000357871062	416144374	/nfs/dbraw/zinc/14/43/74/416144374.db2.gz	ZNHXYWGZLJYOIE-UHFFFAOYSA-N	-1	0	322.390	0.979	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1)OCC	ZINC000339608965	416161979	/nfs/dbraw/zinc/16/19/79/416161979.db2.gz	TVJSEVOVXUSVLC-MRVPVSSYSA-N	-1	0	302.356	0.518	20	30		DCEDRM
CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cn1	ZINC000194197848	416323084	/nfs/dbraw/zinc/32/30/84/416323084.db2.gz	HRLCOBRMBYNODR-UHFFFAOYSA-N	-1	0	319.346	0.302	20	30		DCEDRM
C=CCCS(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000417443885	416383230	/nfs/dbraw/zinc/38/32/30/416383230.db2.gz	BCCOISBOPFHNGK-QWRGUYRKSA-N	-1	0	318.395	0.192	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000420538459	416418997	/nfs/dbraw/zinc/41/89/97/416418997.db2.gz	IWNVUOKAUPIPLQ-CYBMUJFWSA-N	-1	0	300.380	0.345	20	30		DCEDRM
CC(C)[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000422658022	416445556	/nfs/dbraw/zinc/44/55/56/416445556.db2.gz	OQKLIBQTOPXHGZ-NSHDSACASA-N	-1	0	307.281	0.861	20	30		DCEDRM
CC(C)C[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)[O-]	ZINC000424373605	416638953	/nfs/dbraw/zinc/63/89/53/416638953.db2.gz	JURQUWZSJDNRFQ-VIFPVBQESA-N	-1	0	308.338	0.114	20	30		DCEDRM
N#Cc1ccnc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1Cl	ZINC000424462395	416647804	/nfs/dbraw/zinc/64/78/04/416647804.db2.gz	AOJJIGIJCQZYPD-QMMMGPOBSA-N	-1	0	315.738	0.295	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)[N-]OCCO	ZINC000496922996	416658806	/nfs/dbraw/zinc/65/88/06/416658806.db2.gz	FWGHVIXXXCIOGX-SNVBAGLBSA-N	-1	0	301.343	0.614	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)c1	ZINC000443413927	416756830	/nfs/dbraw/zinc/75/68/30/416756830.db2.gz	BFEAHHVJLUYEIP-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCC1(C(=O)[O-])CCCC1	ZINC000563227359	416876559	/nfs/dbraw/zinc/87/65/59/416876559.db2.gz	SXVMRYSYBZOIHR-LLVKDONJSA-N	-1	0	317.411	0.947	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCC[C@]1(C)C(=O)[O-]	ZINC000565058483	416916886	/nfs/dbraw/zinc/91/68/86/416916886.db2.gz	XSNGPHUEMOWAOK-WZRBSPASSA-N	-1	0	317.411	0.946	20	30		DCEDRM
N#Cc1nc(NC(=O)CN2CCc3ccccc3C2=O)[n-]c1C#N	ZINC000519800939	416941414	/nfs/dbraw/zinc/94/14/14/416941414.db2.gz	JQLUFDAZENHZGY-UHFFFAOYSA-N	-1	0	320.312	0.790	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N=c1nc(CCC)[n-]s1	ZINC000411247474	417186010	/nfs/dbraw/zinc/18/60/10/417186010.db2.gz	QKAOAKROIMIEGS-UHFFFAOYSA-N	-1	0	314.436	0.886	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000643463254	417215262	/nfs/dbraw/zinc/21/52/62/417215262.db2.gz	OBMVLAMHRUONCU-LBPRGKRZSA-N	-1	0	312.366	0.361	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(CC(=O)[O-])CC1	ZINC000574280783	417481067	/nfs/dbraw/zinc/48/10/67/417481067.db2.gz	AECJIMWKTQKGFX-JTQLQIEISA-N	-1	0	303.384	0.652	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccccc1OC)C(=O)[O-]	ZINC000576396838	417604457	/nfs/dbraw/zinc/60/44/57/417604457.db2.gz	MLROXTAHENRTQT-SNVBAGLBSA-N	-1	0	315.347	0.629	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cccc(OC)c1)C(=O)[O-]	ZINC000646046910	417861602	/nfs/dbraw/zinc/86/16/02/417861602.db2.gz	FWPAXSQNKPJNJZ-GFCCVEGCSA-N	-1	0	315.347	0.629	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)N1CCCCCC1)C(=O)[O-]	ZINC000646046957	417861883	/nfs/dbraw/zinc/86/18/83/417861883.db2.gz	OPNZKXIOBXFJSX-NSHDSACASA-N	-1	0	306.384	0.353	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000663622204	418038930	/nfs/dbraw/zinc/03/89/30/418038930.db2.gz	DSNIHZVNCQMQLW-GFCCVEGCSA-N	-1	0	312.366	0.312	20	30		DCEDRM
C=CCn1c(SC[C@H]2CCN(S(C)(=O)=O)C2)n[n-]c1=N	ZINC000647116469	417991313	/nfs/dbraw/zinc/99/13/13/417991313.db2.gz	JCENAQXWZQHZNH-VIFPVBQESA-N	-1	0	317.440	0.250	20	30		DCEDRM
C=CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])[C@H](C)COC	ZINC000659661285	418138417	/nfs/dbraw/zinc/13/84/17/418138417.db2.gz	ZODSFFOVGYLBGX-LLVKDONJSA-N	-1	0	314.382	0.653	20	30		DCEDRM
N#Cc1cc2c(nc1N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)CCC2	ZINC000424474444	268193997	/nfs/dbraw/zinc/19/39/97/268193997.db2.gz	RRFODYBKLJROGU-GFCCVEGCSA-N	-1	0	321.358	0.130	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2cccnc2)cn1	ZINC000492663679	268255094	/nfs/dbraw/zinc/25/50/94/268255094.db2.gz	QJYOZOSKOJRREY-UTCJRWHESA-N	-1	0	314.326	0.867	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1	ZINC000548531204	288150859	/nfs/dbraw/zinc/15/08/59/288150859.db2.gz	XUMWCSUMANSRBZ-CMPLNLGQSA-N	-1	0	310.331	0.326	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCOC[C@H]2C#N)ccc1C(=O)[O-]	ZINC000284934159	301388624	/nfs/dbraw/zinc/38/86/24/301388624.db2.gz	CSQSOGUKMHUXIP-SNVBAGLBSA-N	-1	0	310.331	0.606	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCSC[C@H]2C(=O)[O-])s1	ZINC000230326727	303198113	/nfs/dbraw/zinc/19/81/13/303198113.db2.gz	IVSYFTPXSZNUKU-QMMMGPOBSA-N	-1	0	318.401	0.810	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)N(CCC)CC1CC1)C(=O)[O-]	ZINC000569966582	332697650	/nfs/dbraw/zinc/69/76/50/332697650.db2.gz	FZYNJFHNDYZFQM-GFCCVEGCSA-N	-1	0	320.411	0.599	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000563624537	333639947	/nfs/dbraw/zinc/63/99/47/333639947.db2.gz	INGDVTVYGAVTQZ-QWRGUYRKSA-N	-1	0	315.395	0.652	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)CCC(F)(F)F)C(=O)OC	ZINC000341062644	334406512	/nfs/dbraw/zinc/40/65/12/334406512.db2.gz	ATZQNALVVKVDHZ-QMMMGPOBSA-N	-1	0	319.301	0.602	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)OC)cc1	ZINC000490651417	339836607	/nfs/dbraw/zinc/83/66/07/339836607.db2.gz	KJVLKDNFHPPMAV-GFCCVEGCSA-N	-1	0	319.317	0.950	20	30		DCEDRM
C#C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)c1ccc(F)cc1	ZINC000491774099	339880459	/nfs/dbraw/zinc/88/04/59/339880459.db2.gz	BVZOTMJBOUBRMU-LBPRGKRZSA-N	-1	0	301.277	0.729	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1	ZINC000496700274	340010831	/nfs/dbraw/zinc/01/08/31/340010831.db2.gz	IZLYYAOXHRIYQL-LBPRGKRZSA-N	-1	0	321.333	0.391	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000517481669	340470451	/nfs/dbraw/zinc/47/04/51/340470451.db2.gz	CBCYBGMMKFXMGW-GFCCVEGCSA-N	-1	0	311.363	0.535	20	30		DCEDRM
C[C@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1	ZINC000547917836	341239059	/nfs/dbraw/zinc/23/90/59/341239059.db2.gz	YAJFLBVPWXCRJI-NEPJUHHUSA-N	-1	0	317.411	0.899	20	30		DCEDRM
C[C@@H]1CC[C@](CNS(=O)(=O)N(C)CCC#N)(CC(=O)[O-])C1	ZINC000548212163	341252738	/nfs/dbraw/zinc/25/27/38/341252738.db2.gz	KCDWDWQUBJDLSM-DGCLKSJQSA-N	-1	0	317.411	0.947	20	30		DCEDRM
COCCN(CCC(=O)[O-])S(=O)(=O)CC1(CC#N)CC1	ZINC000566013700	341545465	/nfs/dbraw/zinc/54/54/65/341545465.db2.gz	YMOFWTLSEBZFTB-UHFFFAOYSA-N	-1	0	304.368	0.433	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-]	ZINC000567808663	341634457	/nfs/dbraw/zinc/63/44/57/341634457.db2.gz	YMVLNYVPLQUFBX-JTQLQIEISA-N	-1	0	317.367	0.146	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000575923533	341814837	/nfs/dbraw/zinc/81/48/37/341814837.db2.gz	VIIFBJZTHRIQPS-MNOVXSKESA-N	-1	0	303.384	0.509	20	30		DCEDRM
N#CCCCS(=O)(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC001601066324	1159780614	/nfs/dbraw/zinc/78/06/14/1159780614.db2.gz	ABBMLHNIKIOSDO-GHMZBOCLSA-N	-1	0	304.368	0.479	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)[O-]	ZINC000263175998	526806652	/nfs/dbraw/zinc/80/66/52/526806652.db2.gz	ZFIMZRHASCIZOI-GXFFZTMASA-N	-1	0	307.302	0.598	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc2c1OCCO2)C(=O)[O-]	ZINC000263163861	526808532	/nfs/dbraw/zinc/80/85/32/526808532.db2.gz	YEFYIBFKRYEAIT-NSHDSACASA-N	-1	0	307.302	0.843	20	30		DCEDRM
C=CCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC000262622135	527550818	/nfs/dbraw/zinc/55/08/18/527550818.db2.gz	MZZZUUJODNNNNE-LLVKDONJSA-N	-1	0	324.358	0.595	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000284341090	527928185	/nfs/dbraw/zinc/92/81/85/527928185.db2.gz	RETGBWCDNZCPBT-ABAIWWIYSA-N	-1	0	321.381	0.597	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CCOC[C@@H]2C#N)c1	ZINC000424699596	536917183	/nfs/dbraw/zinc/91/71/83/536917183.db2.gz	VUQMPGACRBEMSV-MQJDWESPSA-N	-1	0	308.359	0.554	20	30		DCEDRM
C=CCOCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000313756789	546023749	/nfs/dbraw/zinc/02/37/49/546023749.db2.gz	JVXQBJCGFQAFDG-UHFFFAOYSA-N	-1	0	315.347	0.874	20	30		DCEDRM
CN(CC(=O)[O-])CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000739631048	596904080	/nfs/dbraw/zinc/90/40/80/596904080.db2.gz	BEVRVNWFARAUGV-UHFFFAOYSA-N	-1	0	313.317	0.699	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1C(F)(F)F	ZINC000819100160	597251251	/nfs/dbraw/zinc/25/12/51/597251251.db2.gz	AHYWOSZCMULOQG-UHFFFAOYSA-N	-1	0	315.207	0.716	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](C(N)=O)c2ccccc21	ZINC000819811910	597603951	/nfs/dbraw/zinc/60/39/51/597603951.db2.gz	WYGXYJBDPIVRIO-BZNIZROVSA-N	-1	0	315.329	0.997	20	30		DCEDRM
Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])on1	ZINC000821008887	597613764	/nfs/dbraw/zinc/61/37/64/597613764.db2.gz	QYQKBQMTVMCZPI-AMIZOPFISA-N	-1	0	309.278	0.858	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCn1nc2ccccn2c1=O	ZINC000819874676	597618506	/nfs/dbraw/zinc/61/85/06/597618506.db2.gz	OSRSFWBMUMRLOG-CQSZACIVSA-N	-1	0	318.289	0.044	20	30		DCEDRM
Cc1ccnc(NC(=O)CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000821130403	597644022	/nfs/dbraw/zinc/64/40/22/597644022.db2.gz	FTKQWXAOLIGSRG-HNNXBMFYSA-N	-1	0	318.333	0.792	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O	ZINC000819834821	597725759	/nfs/dbraw/zinc/72/57/59/597725759.db2.gz	PIGTXOXYJCXADB-XHDPSFHLSA-N	-1	0	319.292	0.662	20	30		DCEDRM
CCOC(=O)N1CCC(NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820369229	598224785	/nfs/dbraw/zinc/22/47/85/598224785.db2.gz	VUULFKOZLYSEEO-AWEZNQCLSA-N	-1	0	311.338	0.728	20	30		DCEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NCc1ccco1	ZINC000820114977	598225534	/nfs/dbraw/zinc/22/55/34/598225534.db2.gz	RYUJRBJLXJBVBV-YMTOWFKASA-N	-1	0	307.306	0.405	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC(=O)NCc1ccccc1	ZINC000819832749	598225736	/nfs/dbraw/zinc/22/57/36/598225736.db2.gz	CUYCCTXGICFTHG-INIZCTEOSA-N	-1	0	317.345	0.814	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000819823422	598227368	/nfs/dbraw/zinc/22/73/68/598227368.db2.gz	UQQKRXSWKGZWFC-RDDDGLTNSA-N	-1	0	321.255	0.270	20	30		DCEDRM
N#Cc1nc(NC(=O)CCc2cscn2)[n-]c1-c1nn[nH]n1	ZINC000737705484	598285678	/nfs/dbraw/zinc/28/56/78/598285678.db2.gz	PFVRKBLHGGFFIZ-UHFFFAOYSA-N	-1	0	315.322	0.489	20	30		DCEDRM
C#Cc1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cn1	ZINC000735390226	598776681	/nfs/dbraw/zinc/77/66/81/598776681.db2.gz	UAMYFVWFAAGJFR-UHFFFAOYSA-N	-1	0	305.261	0.090	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)CCCNC(=O)[O-])CC2)nc1	ZINC000739123745	599725567	/nfs/dbraw/zinc/72/55/67/599725567.db2.gz	UJAKZYROPGLGGQ-UHFFFAOYSA-N	-1	0	317.349	0.650	20	30		DCEDRM
C=CCN(C(=O)CCCN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000736108149	599737121	/nfs/dbraw/zinc/73/71/21/599737121.db2.gz	LUFZSHJHNBDAOK-LLVKDONJSA-N	-1	0	318.395	0.578	20	30		DCEDRM
C#CCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1	ZINC000736077029	599738250	/nfs/dbraw/zinc/73/82/50/599738250.db2.gz	LNZTZAITNMTWKH-NSHDSACASA-N	-1	0	322.342	0.042	20	30		DCEDRM
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCO[C@H](C(=O)[O-])C1	ZINC000736219128	599978133	/nfs/dbraw/zinc/97/81/33/599978133.db2.gz	WMKSKSMCBBGSKM-MFKMUULPSA-N	-1	0	303.318	0.671	20	30		DCEDRM
N#CCc1ccc(OC[C@H](O)CN2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000738425133	600005261	/nfs/dbraw/zinc/00/52/61/600005261.db2.gz	BARIFMAVMSMTOX-UKRRQHHQSA-N	-1	0	320.345	0.278	20	30		DCEDRM
C[C@H](OC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)NC1(C#N)CCCCC1	ZINC000736686177	600173796	/nfs/dbraw/zinc/17/37/96/600173796.db2.gz	RBAXDFWASNSRQS-HBNTYKKESA-N	-1	0	308.334	0.981	20	30		DCEDRM
C[C@@H](CS(=O)(=O)CC(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000736614241	600194709	/nfs/dbraw/zinc/19/47/09/600194709.db2.gz	JFVRGQJAKYAWPF-JTQLQIEISA-N	-1	0	324.358	0.310	20	30		DCEDRM
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736653307	600400785	/nfs/dbraw/zinc/40/07/85/600400785.db2.gz	YRGSICBMESZEPD-SECBINFHSA-N	-1	0	323.736	0.895	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cn(-c2ccccc2Cl)nn1	ZINC000739087536	600400930	/nfs/dbraw/zinc/40/09/30/600400930.db2.gz	NWFHMRVZDKJFKN-UHFFFAOYSA-N	-1	0	319.708	0.971	20	30		DCEDRM
Cc1nc(C(=O)N(CC#N)CC(=O)[O-])nn1-c1ccc(F)cc1	ZINC000738839781	600405820	/nfs/dbraw/zinc/40/58/20/600405820.db2.gz	XRQUXISNJZMPAE-UHFFFAOYSA-N	-1	0	317.280	0.765	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)COc1ccc2c(c1)CCC(=O)N2	ZINC000739078782	600406705	/nfs/dbraw/zinc/40/67/05/600406705.db2.gz	MRYFLTPVTSYCRX-UHFFFAOYSA-N	-1	0	317.301	0.387	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cn2)CCN1C1CC1	ZINC000739069250	600461686	/nfs/dbraw/zinc/46/16/86/600461686.db2.gz	OIAZWHPZSSTPSB-GFCCVEGCSA-N	-1	0	300.318	0.592	20	30		DCEDRM
C#CCN1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1	ZINC000736079366	600592353	/nfs/dbraw/zinc/59/23/53/600592353.db2.gz	LLNOIBVGPKUCNX-UHFFFAOYSA-N	-1	0	302.330	0.541	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)CN2C(=O)CCC2=O)C(=O)[O-])cc1	ZINC000739107268	600604298	/nfs/dbraw/zinc/60/42/98/600604298.db2.gz	ADRYUYOHNCPUEM-AWEZNQCLSA-N	-1	0	316.269	0.376	20	30		DCEDRM
C[C@@H](OC(=O)C1(C#N)CCC1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000827810356	600678326	/nfs/dbraw/zinc/67/83/26/600678326.db2.gz	NDGUEZCMNQZJQH-SNVBAGLBSA-N	-1	0	308.334	0.935	20	30		DCEDRM
C#CCOc1ccc(C(=O)OCC(=O)NCCC(=O)[O-])cc1	ZINC000825631819	600691778	/nfs/dbraw/zinc/69/17/78/600691778.db2.gz	NFRNAGMOYYNORG-UHFFFAOYSA-N	-1	0	305.286	0.446	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000739085436	600764315	/nfs/dbraw/zinc/76/43/15/600764315.db2.gz	GMBQOINBODTRNA-UHFFFAOYSA-N	-1	0	312.303	0.057	20	30		DCEDRM
COC(=O)CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)o2)NC(=S)N1	ZINC000831143498	600782890	/nfs/dbraw/zinc/78/28/90/600782890.db2.gz	CLVGTNDQWSTLBF-NSHDSACASA-N	-1	0	321.314	0.572	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000738653150	600796647	/nfs/dbraw/zinc/79/66/47/600796647.db2.gz	PPZISIFLPDZWIR-UHFFFAOYSA-N	-1	0	313.291	0.502	20	30		DCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC000054156525	600989722	/nfs/dbraw/zinc/98/97/22/600989722.db2.gz	KODFIUYTDDQAJL-SNVBAGLBSA-N	-1	0	312.347	0.978	20	30		DCEDRM
COC(=O)c1ccccc1N(C)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000831457346	601242004	/nfs/dbraw/zinc/24/20/04/601242004.db2.gz	DQWUOKYNSRZYDD-UHFFFAOYSA-N	-1	0	319.317	0.346	20	30		DCEDRM
CC(=O)c1cccc(OC[C@H](O)CN(CC#N)CC(=O)[O-])c1	ZINC000825964390	601242102	/nfs/dbraw/zinc/24/21/02/601242102.db2.gz	POYRHUCDTIHYGN-CYBMUJFWSA-N	-1	0	306.318	0.539	20	30		DCEDRM
CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC000828714481	601357084	/nfs/dbraw/zinc/35/70/84/601357084.db2.gz	ATXFWHVXPBOOIC-NOZJJQNGSA-N	-1	0	321.333	0.669	20	30		DCEDRM
C[C@H]1C(=O)Nc2cc(C(=O)N(CC#N)CC(=O)[O-])ccc2N1C	ZINC000828144129	601408172	/nfs/dbraw/zinc/40/81/72/601408172.db2.gz	UOAMEPCLCNEQEI-VIFPVBQESA-N	-1	0	316.317	0.514	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000831084458	601573288	/nfs/dbraw/zinc/57/32/88/601573288.db2.gz	LFEJTPQGGNEHAB-ZFWWWQNUSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C/C(=C\CN1CCN(c2nccnc2C#N)C[C@@H]1C)C(=O)[O-]	ZINC000825746995	601664563	/nfs/dbraw/zinc/66/45/63/601664563.db2.gz	NSBFHSBYCNKYBU-JPOQUURFSA-N	-1	0	301.350	0.890	20	30		DCEDRM
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000828500607	601724827	/nfs/dbraw/zinc/72/48/27/601724827.db2.gz	VIVHHNIYKMUAQA-OUAUKWLOSA-N	-1	0	315.333	0.106	20	30		DCEDRM
CC[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)[O-]	ZINC000818303058	601754764	/nfs/dbraw/zinc/75/47/64/601754764.db2.gz	ZPIQQXAPDLBJJE-GFCCVEGCSA-N	-1	0	313.317	0.919	20	30		DCEDRM
O=C([O-])c1cc(C=NN=C2NS(=O)(=O)c3ccccc32)c[nH]1	ZINC000814798497	601797096	/nfs/dbraw/zinc/79/70/96/601797096.db2.gz	HFDAJHFCNXABFO-UHFFFAOYSA-N	-1	0	318.314	0.786	20	30		DCEDRM
C[C@H]1CN(C(=O)NCCNc2ncccc2C#N)C[C@@H]1C(=O)[O-]	ZINC000828363640	601825414	/nfs/dbraw/zinc/82/54/14/601825414.db2.gz	XNMVFZPKVWYCKC-JQWIXIFHSA-N	-1	0	317.349	0.727	20	30		DCEDRM
C[C@@H]1CN(C(=O)NCCNc2ncccc2C#N)C[C@H]1C(=O)[O-]	ZINC000828363642	601825487	/nfs/dbraw/zinc/82/54/87/601825487.db2.gz	XNMVFZPKVWYCKC-ZYHUDNBSSA-N	-1	0	317.349	0.727	20	30		DCEDRM
COC[C@@](C)(C#N)NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC000831540932	602296370	/nfs/dbraw/zinc/29/63/70/602296370.db2.gz	IBARBFGICRRKBS-OAHLLOKOSA-N	-1	0	321.333	0.811	20	30		DCEDRM
CN(CCCNC(=O)[O-])S(=O)(=O)c1cccc(F)c1C#N	ZINC000828301866	603120381	/nfs/dbraw/zinc/12/03/81/603120381.db2.gz	HUMFRKAXPZSXCH-UHFFFAOYSA-N	-1	0	315.326	0.976	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N1CCCN(C(=O)[O-])CC1	ZINC000831118418	603181596	/nfs/dbraw/zinc/18/15/96/603181596.db2.gz	YIAKFBSIRILNEI-UHFFFAOYSA-N	-1	0	324.362	0.396	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)CC1CN(C(=O)[O-])C1	ZINC000831156777	603567752	/nfs/dbraw/zinc/56/77/52/603567752.db2.gz	KETBUTAOTPNFDH-UHFFFAOYSA-N	-1	0	303.322	0.481	20	30		DCEDRM
CC(=O)NCCCCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000823579534	603588156	/nfs/dbraw/zinc/58/81/56/603588156.db2.gz	JQIMDEZYHCGLGB-LBPRGKRZSA-N	-1	0	310.354	0.397	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1Cc2ccccc2O1	ZINC000831076306	603589072	/nfs/dbraw/zinc/58/90/72/603589072.db2.gz	JQPJMVFQUAMMAR-DGCLKSJQSA-N	-1	0	301.302	0.704	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(C(N)=O)cc1	ZINC000831086764	603600954	/nfs/dbraw/zinc/60/09/54/603600954.db2.gz	HGNMBOATWVKHOD-NSHDSACASA-N	-1	0	302.290	0.113	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)C(C)(C)CNC(=O)[O-])CC1	ZINC000823455927	603647254	/nfs/dbraw/zinc/64/72/54/603647254.db2.gz	ICFFPWLBHXVPKP-UHFFFAOYSA-N	-1	0	309.366	0.268	20	30		DCEDRM
C[C@@H](CCNC(=O)C(=O)Nc1ccc(F)cc1C#N)NC(=O)[O-]	ZINC000824777241	603671852	/nfs/dbraw/zinc/67/18/52/603671852.db2.gz	QIXDAQQVFMKFIL-QMMMGPOBSA-N	-1	0	322.296	0.798	20	30		DCEDRM
N#Cc1ccc(CC(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)cc1	ZINC000831122549	603799291	/nfs/dbraw/zinc/79/92/91/603799291.db2.gz	KXNKOCGSJNMGGA-ZDUSSCGKSA-N	-1	0	302.286	0.965	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000823467469	603800458	/nfs/dbraw/zinc/80/04/58/603800458.db2.gz	XFMJJCYGFQSBAK-OLZOCXBDSA-N	-1	0	318.329	0.428	20	30		DCEDRM
CC(C)(CNC(=O)CCNC(=O)C1N=CC=CC1=O)NC(=O)[O-]	ZINC000823911931	603870219	/nfs/dbraw/zinc/87/02/19/603870219.db2.gz	ALPAGAPXANEEFT-VAWYXSNFSA-N	-1	0	324.337	0.065	20	30		DCEDRM
CCC(CC)CS(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826571166	603916124	/nfs/dbraw/zinc/91/61/24/603916124.db2.gz	CNIFLLZFJBDPHS-LLVKDONJSA-N	-1	0	303.384	0.940	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1	ZINC000831102459	603920392	/nfs/dbraw/zinc/92/03/92/603920392.db2.gz	KGGSDYVSRFZHML-STQMWFEESA-N	-1	0	308.382	0.774	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CNC(=O)[O-])c1ccccc1	ZINC000823457129	603923673	/nfs/dbraw/zinc/92/36/73/603923673.db2.gz	VGWMZINNQIVMES-DGCLKSJQSA-N	-1	0	318.329	0.719	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CCCN(S(=O)(=O)CCCC#N)C1	ZINC000825270300	604042931	/nfs/dbraw/zinc/04/29/31/604042931.db2.gz	ADSQOJRZZOFXHY-QWRGUYRKSA-N	-1	0	303.384	0.988	20	30		DCEDRM
C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825464708	604064904	/nfs/dbraw/zinc/06/49/04/604064904.db2.gz	FPAFKRPHSJIHCO-NXEZZACHSA-N	-1	0	320.305	0.112	20	30		DCEDRM
C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825093460	604068081	/nfs/dbraw/zinc/06/80/81/604068081.db2.gz	NJUWLCDATUUARL-CMPLNLGQSA-N	-1	0	322.365	0.396	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000829061347	604072190	/nfs/dbraw/zinc/07/21/90/604072190.db2.gz	LWLJDFCPIPJBHR-ZDUSSCGKSA-N	-1	0	316.317	0.995	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1COc2ccccc2O1	ZINC000831076683	604072893	/nfs/dbraw/zinc/07/28/93/604072893.db2.gz	RANDNAJGUPFLNJ-GWCFXTLKSA-N	-1	0	317.301	0.541	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2nccnc2c1	ZINC000831087833	604082553	/nfs/dbraw/zinc/08/25/53/604082553.db2.gz	ROIXURCENKCYNO-LLVKDONJSA-N	-1	0	311.301	0.958	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(N)nc(Cl)c1	ZINC000831087571	604082750	/nfs/dbraw/zinc/08/27/50/604082750.db2.gz	NESRTSYPQLHRQV-MRVPVSSYSA-N	-1	0	309.713	0.645	20	30		DCEDRM
C[C@H](OC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000825535762	604113060	/nfs/dbraw/zinc/11/30/60/604113060.db2.gz	NQHIMQUOPFFMDP-HZMBPMFUSA-N	-1	0	311.338	0.680	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccccc1[N+](=O)[O-]	ZINC000831091302	604129668	/nfs/dbraw/zinc/12/96/68/604129668.db2.gz	BANLLDDDEMFSSY-SECBINFHSA-N	-1	0	304.262	0.923	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)NC2CCN(C(=O)[O-])CC2)c1	ZINC000823475529	604169961	/nfs/dbraw/zinc/16/99/61/604169961.db2.gz	YUVUCXXAJLOSNK-UHFFFAOYSA-N	-1	0	315.329	0.865	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)CCO1	ZINC000831077226	604219523	/nfs/dbraw/zinc/21/95/23/604219523.db2.gz	XQEQZIUXKRZXDB-CHWSQXEVSA-N	-1	0	318.333	0.929	20	30		DCEDRM
CN(C(=O)[O-])[C@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000827894521	604236181	/nfs/dbraw/zinc/23/61/81/604236181.db2.gz	ISTLCQCUMSYZTE-JTQLQIEISA-N	-1	0	310.335	0.326	20	30		DCEDRM
N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000831066284	604388411	/nfs/dbraw/zinc/38/84/11/604388411.db2.gz	VXNUYEWPBODUMF-UWVGGRQHSA-N	-1	0	318.289	0.108	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)CCCCC#N)CCO1	ZINC000825359467	604492773	/nfs/dbraw/zinc/49/27/73/604492773.db2.gz	LREZQVUXFCFMMC-GHMZBOCLSA-N	-1	0	319.383	0.367	20	30		DCEDRM
C#CCOCCC(=O)OCC(=O)N(C)c1ccccc1C(=O)[O-]	ZINC000833366333	604589764	/nfs/dbraw/zinc/58/97/64/604589764.db2.gz	RIRYHVIDOBPAQO-UHFFFAOYSA-N	-1	0	319.313	0.931	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)c2cnc(C(=O)[O-])cn2)c1	ZINC000799244202	604782612	/nfs/dbraw/zinc/78/26/12/604782612.db2.gz	YHIBJILGVBZXFP-UHFFFAOYSA-N	-1	0	324.296	0.525	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c(F)c1	ZINC000819100457	604818465	/nfs/dbraw/zinc/81/84/65/604818465.db2.gz	HXJUEEVWJDHLRH-VIFPVBQESA-N	-1	0	305.265	0.569	20	30		DCEDRM
Cc1ccn(CC(=O)N2CCC(C(=O)[O-])CC2)c(=O)c1C#N	ZINC000832982402	604838312	/nfs/dbraw/zinc/83/83/12/604838312.db2.gz	HHXVVHCSIGMWFC-UHFFFAOYSA-N	-1	0	303.318	0.352	20	30		DCEDRM
O=C([O-])N1CCC(N=Nc2nccc(N3CCOCC3)n2)CC1	ZINC000831863393	604935522	/nfs/dbraw/zinc/93/55/22/604935522.db2.gz	IDVPVCQGEWFXBE-UHFFFAOYSA-N	-1	0	320.353	0.855	20	30		DCEDRM
CCc1csc(-n2cc(C(=O)N(CC#N)CC(=O)[O-])cn2)n1	ZINC000833675703	605006352	/nfs/dbraw/zinc/00/63/52/605006352.db2.gz	ZYADJWOLDJNAPS-UHFFFAOYSA-N	-1	0	319.346	0.942	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000833370820	605057329	/nfs/dbraw/zinc/05/73/29/605057329.db2.gz	NSZGPHXWPYXIEV-NSHDSACASA-N	-1	0	320.345	0.933	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC000833370478	605093373	/nfs/dbraw/zinc/09/33/73/605093373.db2.gz	KSQANWQDZUNDKX-QMMMGPOBSA-N	-1	0	312.347	0.686	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)N2CC[C@H](NC(=O)[O-])C2)cc1	ZINC000831141267	605106383	/nfs/dbraw/zinc/10/63/83/605106383.db2.gz	FVUFZYBJVFDKCN-LBPRGKRZSA-N	-1	0	318.333	0.989	20	30		DCEDRM
CC(C)(NS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000833460324	605183504	/nfs/dbraw/zinc/18/35/04/605183504.db2.gz	BONDYLSACDVVLN-UHFFFAOYSA-N	-1	0	300.311	0.980	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000833377057	605212946	/nfs/dbraw/zinc/21/29/46/605212946.db2.gz	ZOWQFGGXAGKQCR-UHFFFAOYSA-N	-1	0	316.310	0.104	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000833370252	605212975	/nfs/dbraw/zinc/21/29/75/605212975.db2.gz	KHFUSZZSYWUUKM-SECBINFHSA-N	-1	0	317.338	0.987	20	30		DCEDRM
C=C(C)CN(CC)C(=O)COC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000823474454	605215349	/nfs/dbraw/zinc/21/53/49/605215349.db2.gz	PHJZEHCHIWEHMZ-LLVKDONJSA-N	-1	0	314.338	0.333	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000833493399	605250428	/nfs/dbraw/zinc/25/04/28/605250428.db2.gz	ZMRVAOFJADICRA-ZDUSSCGKSA-N	-1	0	317.345	0.904	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)NCc1ccc(C(=O)[O-])o1	ZINC000833378860	605269609	/nfs/dbraw/zinc/26/96/09/605269609.db2.gz	WNGPUHYCHGYBJF-UHFFFAOYSA-N	-1	0	316.335	0.378	20	30		DCEDRM
N#CCN1CCC(OC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000831102281	605269789	/nfs/dbraw/zinc/26/97/89/605269789.db2.gz	FIEJJQXMIWHJMI-LBPRGKRZSA-N	-1	0	311.338	0.286	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000833378041	605312224	/nfs/dbraw/zinc/31/22/24/605312224.db2.gz	HCVFGTKILNUNBV-UHFFFAOYSA-N	-1	0	314.363	0.660	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)c(F)c1	ZINC000831131885	605362192	/nfs/dbraw/zinc/36/21/92/605362192.db2.gz	FDVNGEHGLRURGP-SECBINFHSA-N	-1	0	320.280	0.504	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000833815161	605514901	/nfs/dbraw/zinc/51/49/01/605514901.db2.gz	FGZDHHISMZHXLC-UWVGGRQHSA-N	-1	0	324.362	0.620	20	30		DCEDRM
C[C@@H]1C[C@@H](NC(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000825846227	605536899	/nfs/dbraw/zinc/53/68/99/605536899.db2.gz	UGLDYIFJCQVIKG-ZJUUUORDSA-N	-1	0	324.362	0.762	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1	ZINC000739139021	605631198	/nfs/dbraw/zinc/63/11/98/605631198.db2.gz	BUTXIBHXTOOSJZ-NSHDSACASA-N	-1	0	309.347	0.979	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@@H](CC(=O)[O-])C2CC2)c1	ZINC000833368327	605667120	/nfs/dbraw/zinc/66/71/20/605667120.db2.gz	LJBVBBFVWKTADG-ZDUSSCGKSA-N	-1	0	300.314	0.976	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NCCS(=O)(=O)c1ccccc1	ZINC000833966285	605685526	/nfs/dbraw/zinc/68/55/26/605685526.db2.gz	JGYJOSIXTZPEAB-DGCLKSJQSA-N	-1	0	323.374	0.552	20	30		DCEDRM
COc1ccc(NC(=O)[O-])c(NC(=O)Cn2cnc(C#N)n2)c1	ZINC000829469624	605697352	/nfs/dbraw/zinc/69/73/52/605697352.db2.gz	STEZDPBCRNPUQU-UHFFFAOYSA-N	-1	0	316.277	0.887	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)n1	ZINC000831161764	605715297	/nfs/dbraw/zinc/71/52/97/605715297.db2.gz	LCOJNQIZWYTFEO-NSHDSACASA-N	-1	0	320.353	0.482	20	30		DCEDRM
N#Cc1cccc(C(=O)COC(=O)[C@H]2COCCN2C(=O)[O-])c1	ZINC000833977717	605723518	/nfs/dbraw/zinc/72/35/18/605723518.db2.gz	WLFGBDYBVSLYJI-GFCCVEGCSA-N	-1	0	318.285	0.663	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)/C=C\c1cncc(O)c1	ZINC000833967245	605734822	/nfs/dbraw/zinc/73/48/22/605734822.db2.gz	QKWVBZUSBOMJOE-RFMOXSJOSA-N	-1	0	302.290	0.515	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C[C@@H](O)c1cccc(F)c1	ZINC000833966794	605830904	/nfs/dbraw/zinc/83/09/04/605830904.db2.gz	NSUPGLZSURPYQC-QWHCGFSZSA-N	-1	0	321.308	0.964	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000833970790	605845537	/nfs/dbraw/zinc/84/55/37/605845537.db2.gz	ZPYRPPCBNAYZRB-QMMMGPOBSA-N	-1	0	313.310	0.728	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NC[C@H](NC(=O)[O-])C2CC2)CCN1C1CC1	ZINC000833968023	605849950	/nfs/dbraw/zinc/84/99/50/605849950.db2.gz	TZIDOBQTDKMTKA-STQMWFEESA-N	-1	0	321.381	0.414	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN2CC[C@H](NC(=O)[O-])C2)cc1	ZINC000831141298	605914936	/nfs/dbraw/zinc/91/49/36/605914936.db2.gz	GEKASEGBFXXVGL-LBPRGKRZSA-N	-1	0	323.374	0.674	20	30		DCEDRM
N#Cc1ccc(CON=C(N)[C@H]2COCCN2C(=O)[O-])cc1	ZINC000833972595	605924402	/nfs/dbraw/zinc/92/44/02/605924402.db2.gz	CDBPTMXMIKRMRZ-GFCCVEGCSA-N	-1	0	304.306	0.936	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H](O)CCc1ccccc1	ZINC000833966557	605966869	/nfs/dbraw/zinc/96/68/69/605966869.db2.gz	LVQIXANRHMAHDP-UONOGXRCSA-N	-1	0	317.345	0.694	20	30		DCEDRM
Cn1cnc2cc(C(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)ccc21	ZINC000833959904	605976431	/nfs/dbraw/zinc/97/64/31/605976431.db2.gz	XZDZNVRFLKVVQC-LLVKDONJSA-N	-1	0	313.317	0.901	20	30		DCEDRM
N#CCN1CCC(NC(=O)c2cnc(NC(=O)[O-])cn2)CC1	ZINC000833967154	606003125	/nfs/dbraw/zinc/00/31/25/606003125.db2.gz	OXHGYGVLPBGNLN-UHFFFAOYSA-N	-1	0	304.310	0.284	20	30		DCEDRM
N#C[C@@H](C(=O)CCOC1CN(C(=O)[O-])C1)C(=O)N1CCCC1	ZINC000833960608	606109704	/nfs/dbraw/zinc/10/97/04/606109704.db2.gz	JXYZIYRQRSQMPL-NSHDSACASA-N	-1	0	309.322	0.087	20	30		DCEDRM
C#CCN(CC)C(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC000819697692	606434804	/nfs/dbraw/zinc/43/48/04/606434804.db2.gz	JLNVSQBVNNVGHN-UHFFFAOYSA-N	-1	0	318.362	0.785	20	30		DCEDRM
N#Cc1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)ccc1F	ZINC000822823083	607213715	/nfs/dbraw/zinc/21/37/15/607213715.db2.gz	KIRGROJMTYWZMZ-UHFFFAOYSA-N	-1	0	313.256	0.108	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cnn3cccnc23)o1	ZINC000826323014	607887039	/nfs/dbraw/zinc/88/70/39/607887039.db2.gz	MDQOAKJWAVKOKY-UHFFFAOYSA-N	-1	0	310.281	0.652	20	30		DCEDRM
C#CCNC(=S)NNc1oc(C(C)(C)C)nc1-c1nnn[n-]1	ZINC000823850552	607966980	/nfs/dbraw/zinc/96/69/80/607966980.db2.gz	RHHCMZIDTDSNFU-UHFFFAOYSA-N	-1	0	320.382	0.576	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cc3occc3[nH]2)[n-]c1-c1nn[nH]n1	ZINC000826382543	608116887	/nfs/dbraw/zinc/11/68/87/608116887.db2.gz	JDNKCOLEUADVFI-UHFFFAOYSA-N	-1	0	309.249	0.788	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1cccc(Cl)n1	ZINC000826382910	609176505	/nfs/dbraw/zinc/17/65/05/609176505.db2.gz	AGFPODLSBKZFLR-UHFFFAOYSA-N	-1	0	301.701	0.614	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC000909386106	660498850	/nfs/dbraw/zinc/49/88/50/660498850.db2.gz	CUAMGMMBRCKWHO-ZWNOBZJWSA-N	-1	0	309.293	0.812	20	30		DCEDRM
CN(CC#N)[C@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001027606996	660518324	/nfs/dbraw/zinc/51/83/24/660518324.db2.gz	PZUUMBFCCRPPJR-NSHDSACASA-N	-1	0	314.349	0.083	20	30		DCEDRM
Cc1nc(C)c(CC(=O)N2CC[C@H](N(C)CC#N)C2)c(=O)[nH]1	ZINC000980383114	660927219	/nfs/dbraw/zinc/92/72/19/660927219.db2.gz	PXKNDQOWGPUBNC-LBPRGKRZSA-N	-1	0	303.366	0.398	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)[nH]1	ZINC000980990999	661057140	/nfs/dbraw/zinc/05/71/40/661057140.db2.gz	FXGMLQGUHIVYBZ-UHFFFAOYSA-N	-1	0	315.337	0.058	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)[C@H](C)C(=O)N2	ZINC000317737813	661125674	/nfs/dbraw/zinc/12/56/74/661125674.db2.gz	WVOFVNJSEUZGFV-VIFPVBQESA-N	-1	0	322.342	0.451	20	30		DCEDRM
N#Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-]	ZINC000040699524	657681720	/nfs/dbraw/zinc/68/17/20/657681720.db2.gz	YTUFZKORGCPZFK-VIFPVBQESA-N	-1	0	318.738	0.326	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(CN2CCOCC2)o1	ZINC000892496347	658726535	/nfs/dbraw/zinc/72/65/35/658726535.db2.gz	LWPSEKYHNSPNHR-CYBMUJFWSA-N	-1	0	317.345	0.713	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(CN2CCOCC2)o1	ZINC000892498155	658731692	/nfs/dbraw/zinc/73/16/92/658731692.db2.gz	FGRLLNAXHDTQAS-ZDUSSCGKSA-N	-1	0	319.361	0.959	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000153349909	658752972	/nfs/dbraw/zinc/75/29/72/658752972.db2.gz	OEMGDUKTHJFLMO-UHFFFAOYSA-N	-1	0	311.319	0.887	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000783126069	659075898	/nfs/dbraw/zinc/07/58/98/659075898.db2.gz	MPKZTAZCRLKORJ-AAEUAGOBSA-N	-1	0	305.396	0.698	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)COC2CC2)c(F)c1	ZINC000893253332	659189552	/nfs/dbraw/zinc/18/95/52/659189552.db2.gz	QAFNPQPWKMWFRB-UHFFFAOYSA-N	-1	0	312.322	0.822	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC000892932519	659512855	/nfs/dbraw/zinc/51/28/55/659512855.db2.gz	IXSXCNIHMZUUAB-GARJFASQSA-N	-1	0	300.380	0.797	20	30		DCEDRM
N#CC1(NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CC1	ZINC000194783048	659516185	/nfs/dbraw/zinc/51/61/85/659516185.db2.gz	BHFXGWFXSDTUAF-UHFFFAOYSA-N	-1	0	300.343	0.858	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2(C3CCN(CC#N)CC3)CC2)c1[O-]	ZINC001000123628	665749576	/nfs/dbraw/zinc/74/95/76/665749576.db2.gz	OVAXFANBWGBGMS-UHFFFAOYSA-N	-1	0	303.366	0.922	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1C#N	ZINC000261771848	661640944	/nfs/dbraw/zinc/64/09/44/661640944.db2.gz	WAGYJYLATKTTMF-ZDUSSCGKSA-N	-1	0	309.347	0.747	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C)cn1	ZINC000048520026	661926075	/nfs/dbraw/zinc/92/60/75/661926075.db2.gz	UFCFTYZAJUSJRM-UHFFFAOYSA-N	-1	0	302.356	0.228	20	30		DCEDRM
C#C[C@@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1	ZINC000882234357	662110685	/nfs/dbraw/zinc/11/06/85/662110685.db2.gz	ZFJFACHPSAFMSS-YPMLDQLKSA-N	-1	0	308.425	0.245	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnc2c(cnn2C)c1OC	ZINC000909516676	662171726	/nfs/dbraw/zinc/17/17/26/662171726.db2.gz	MYVXICUQYQSCGB-UHFFFAOYSA-N	-1	0	304.306	0.690	20	30		DCEDRM
CCn1nccc1S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899925253	663201160	/nfs/dbraw/zinc/20/11/60/663201160.db2.gz	AXRFYKYGVUGEMW-LLVKDONJSA-N	-1	0	311.363	0.392	20	30		DCEDRM
CCCCN(C)S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899929808	663201803	/nfs/dbraw/zinc/20/18/03/663201803.db2.gz	JTPJZAQOFAXQFB-LBPRGKRZSA-N	-1	0	302.396	0.763	20	30		DCEDRM
CCn1cc(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)cn1	ZINC000899930223	663201812	/nfs/dbraw/zinc/20/18/12/663201812.db2.gz	PNAIBLWGRQXFJO-NSHDSACASA-N	-1	0	311.363	0.392	20	30		DCEDRM
C#CCNCC(=O)[N-]S(=O)(=O)[C@@H]1CCCc2ccccc21	ZINC000901033047	663305768	/nfs/dbraw/zinc/30/57/68/663305768.db2.gz	PQYOVBXJZVWHLP-CQSZACIVSA-N	-1	0	306.387	0.733	20	30		DCEDRM
CCn1cc(C=NNS(=O)(=O)CCc2ccccc2)nn1	ZINC000901195292	663329563	/nfs/dbraw/zinc/32/95/63/663329563.db2.gz	VTJYGXKFJGRRHE-UHFFFAOYSA-N	-1	0	307.379	0.794	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H]1CCCC(C)(C)O1	ZINC000905996622	663594764	/nfs/dbraw/zinc/59/47/64/663594764.db2.gz	INIUHPLYVFHCMR-LLVKDONJSA-N	-1	0	303.380	0.684	20	30		DCEDRM
N#Cc1cccc(CC(=O)N2CCSC[C@H]2c2nnn[n-]2)c1	ZINC000907478720	663696861	/nfs/dbraw/zinc/69/68/61/663696861.db2.gz	YNONZQZCQLLIIY-LBPRGKRZSA-N	-1	0	314.374	0.931	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000909245341	663787771	/nfs/dbraw/zinc/78/77/71/663787771.db2.gz	CNTSMUWGGCMARM-RNJOBUHISA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@](C)(O)Cc1ccccc1)C(=O)[O-]	ZINC000909772909	663800896	/nfs/dbraw/zinc/80/08/96/663800896.db2.gz	XZCCDHPKMVWZKL-CJNGLKHVSA-N	-1	0	307.346	0.752	20	30		DCEDRM
C[C@@H](CC(=O)N1CC=CC1)/N=C1/NS(=O)(=O)c2ccccc21	ZINC000910008769	663834799	/nfs/dbraw/zinc/83/47/99/663834799.db2.gz	COSOLPDGGIFWBD-NSHDSACASA-N	-1	0	319.386	0.902	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-]	ZINC000910051770	663836954	/nfs/dbraw/zinc/83/69/54/663836954.db2.gz	GTRNZIJNQCBCLH-YPMHNXCESA-N	-1	0	315.329	0.023	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCCNC(=O)c1ccccc1)C(=O)[O-]	ZINC000910052942	663837297	/nfs/dbraw/zinc/83/72/97/663837297.db2.gz	KQNUNOLIEMBLHH-CYBMUJFWSA-N	-1	0	302.330	0.789	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1COc2cc(OC)ccc2C1)C(=O)[O-]	ZINC000910054021	663837863	/nfs/dbraw/zinc/83/78/63/663837863.db2.gz	HPNXMOMQLDGAHQ-WCQYABFASA-N	-1	0	303.314	0.839	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000910053741	663837975	/nfs/dbraw/zinc/83/79/75/663837975.db2.gz	IQMBCXUUZRIKFX-CQSZACIVSA-N	-1	0	302.330	0.730	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccnc(N2CCCCC2)n1)C(=O)[O-]	ZINC000910050122	663840882	/nfs/dbraw/zinc/84/08/82/663840882.db2.gz	FQNRMTYJSWGLRY-LBPRGKRZSA-N	-1	0	302.334	0.673	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](Cc1cccc(OC)c1)C(=O)[O-]	ZINC000910210008	663857305	/nfs/dbraw/zinc/85/73/05/663857305.db2.gz	QYJMEGMYZXCGQQ-SMDDNHRTSA-N	-1	0	305.330	0.845	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)[O-]	ZINC000910913804	663956085	/nfs/dbraw/zinc/95/60/85/663956085.db2.gz	DBPZRMJUCFDRNX-QWRGUYRKSA-N	-1	0	300.380	0.834	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC000910924869	663956399	/nfs/dbraw/zinc/95/63/99/663956399.db2.gz	FXPGCRPFTFTTTL-CMPLNLGQSA-N	-1	0	306.366	0.846	20	30		DCEDRM
C=C[C@@H](O)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C	ZINC000911316466	664032283	/nfs/dbraw/zinc/03/22/83/664032283.db2.gz	YKBNPNXTWHGWKI-SMDDNHRTSA-N	-1	0	304.346	0.969	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC000911368701	664044156	/nfs/dbraw/zinc/04/41/56/664044156.db2.gz	NUSNGOGYOQVALE-CYBMUJFWSA-N	-1	0	314.382	0.213	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CC(=O)N(C)C2)n1	ZINC000914920698	664839634	/nfs/dbraw/zinc/83/96/34/664839634.db2.gz	CQHMMWSJGIKXJH-VHSXEESVSA-N	-1	0	321.358	0.649	20	30		DCEDRM
N#Cc1nc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2)[n-]c1C#N	ZINC000915067811	664858183	/nfs/dbraw/zinc/85/81/83/664858183.db2.gz	VYADZNPRHKYSOH-SNVBAGLBSA-N	-1	0	323.316	0.891	20	30		DCEDRM
CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000916809129	665093724	/nfs/dbraw/zinc/09/37/24/665093724.db2.gz	BBQDJYDGHTVSDQ-VIFPVBQESA-N	-1	0	309.347	0.278	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(S(C)(=O)=O)cc1	ZINC000916891959	665099420	/nfs/dbraw/zinc/09/94/20/665099420.db2.gz	HOCPVMILYPJJBH-GFCCVEGCSA-N	-1	0	324.358	0.175	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc([S@@](C)=O)cc1	ZINC000916893107	665099891	/nfs/dbraw/zinc/09/98/91/665099891.db2.gz	WJJYOXAYFVACRM-LAJNKCICSA-N	-1	0	308.359	0.509	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)cc1	ZINC000917416713	665131613	/nfs/dbraw/zinc/13/16/13/665131613.db2.gz	MSFFGSBGDIEZDC-UHFFFAOYSA-N	-1	0	318.314	0.104	20	30		DCEDRM
C#CC1(F)CN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C1	ZINC000919882571	665241840	/nfs/dbraw/zinc/24/18/40/665241840.db2.gz	KIWVSQAPXDBVLY-UHFFFAOYSA-N	-1	0	314.313	0.995	20	30		DCEDRM
N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000920123368	665259274	/nfs/dbraw/zinc/25/92/74/665259274.db2.gz	ZIGUKYGTHGBDAQ-UHFFFAOYSA-N	-1	0	309.347	0.659	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H]2CCCN2C(=O)[C@H](C)C#N)c1[O-]	ZINC001002925634	666246134	/nfs/dbraw/zinc/24/61/34/666246134.db2.gz	UFQRVSRDSDAFHR-MWLCHTKSSA-N	-1	0	319.365	0.646	20	30		DCEDRM
COc1cc(C=NNCCS(C)(=O)=O)cc([N+](=O)[O-])c1[O-]	ZINC000733205782	666347377	/nfs/dbraw/zinc/34/73/77/666347377.db2.gz	LOXVVQOSXGDDCT-UHFFFAOYSA-N	-1	0	317.323	0.277	20	30		DCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000733717485	666803922	/nfs/dbraw/zinc/80/39/22/666803922.db2.gz	NSYBAMCWAPBNKA-JTQLQIEISA-N	-1	0	312.347	0.418	20	30		DCEDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000734089253	666847953	/nfs/dbraw/zinc/84/79/53/666847953.db2.gz	MSZCCCCYCVYWRR-UHFFFAOYSA-N	-1	0	324.358	0.500	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000734734964	666905871	/nfs/dbraw/zinc/90/58/71/666905871.db2.gz	KOTWASGIWWHKIH-UHFFFAOYSA-N	-1	0	314.319	0.911	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)cn1	ZINC000861162972	666906596	/nfs/dbraw/zinc/90/65/96/666906596.db2.gz	FWCOQVSUYYDTJS-UHFFFAOYSA-N	-1	0	301.274	0.811	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000863407681	667140016	/nfs/dbraw/zinc/14/00/16/667140016.db2.gz	KKZWYTZDURCPBP-GFCCVEGCSA-N	-1	0	310.331	0.410	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000863408357	667140159	/nfs/dbraw/zinc/14/01/59/667140159.db2.gz	OCLPBMXWESUXDL-ZETCQYMHSA-N	-1	0	302.333	0.330	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)[O-]	ZINC000863420852	667142149	/nfs/dbraw/zinc/14/21/49/667142149.db2.gz	SPNFBLXDZCXURW-MRVPVSSYSA-N	-1	0	307.759	0.603	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)[O-]	ZINC000863421608	667142203	/nfs/dbraw/zinc/14/22/03/667142203.db2.gz	YUPYQGQEHUNFEP-QMMMGPOBSA-N	-1	0	307.759	0.603	20	30		DCEDRM
CC(Cl)(Cl)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863935001	667195110	/nfs/dbraw/zinc/19/51/10/667195110.db2.gz	QAEJHSKJEWSWNU-UHFFFAOYSA-N	-1	0	317.132	0.398	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000864182845	667222434	/nfs/dbraw/zinc/22/24/34/667222434.db2.gz	ACDUQNASBDGBMS-VIFPVBQESA-N	-1	0	316.701	0.893	20	30		DCEDRM
N#Cc1ccc(OCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC000864212095	667224996	/nfs/dbraw/zinc/22/49/96/667224996.db2.gz	UFZDHCJMBDZCJM-BXUZGUMPSA-N	-1	0	304.302	0.543	20	30		DCEDRM
C#CCSCCN=c1nn[n-]n1Cc1ccc(OC)cc1	ZINC000865551129	667331633	/nfs/dbraw/zinc/33/16/33/667331633.db2.gz	VZQDVHFZLCORLG-UHFFFAOYSA-N	-1	0	303.391	0.930	20	30		DCEDRM
CCO[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)[C@@H]1CCOC1	ZINC000870244438	667725253	/nfs/dbraw/zinc/72/52/53/667725253.db2.gz	YTGBTKURNXDSCH-SUNKGSAMSA-N	-1	0	305.334	0.753	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C	ZINC000870256849	667725835	/nfs/dbraw/zinc/72/58/35/667725835.db2.gz	OBFRYIWPQMDISU-RNCFNFMXSA-N	-1	0	303.380	0.986	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@]2(CC)CCNC2=O)CC1	ZINC000870369823	667734558	/nfs/dbraw/zinc/73/45/58/667734558.db2.gz	PHDBVKPOYICTBK-ZDUSSCGKSA-N	-1	0	300.380	0.457	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CN2CCCCCCC2=O)CC1	ZINC000870833837	667765058	/nfs/dbraw/zinc/76/50/58/667765058.db2.gz	YRENTSWZSHOVCB-UHFFFAOYSA-N	-1	0	314.407	0.944	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)C(C)C)CC1	ZINC000870833334	667765088	/nfs/dbraw/zinc/76/50/88/667765088.db2.gz	RJXNHSHJEMOWAV-NSHDSACASA-N	-1	0	314.407	0.798	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CC(C)(C)CO1)C(=O)[O-]	ZINC000871647266	667841169	/nfs/dbraw/zinc/84/11/69/667841169.db2.gz	DETFKOJJJBIMTE-QWRGUYRKSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)[C@@H]1CCCO1	ZINC000871943987	667858457	/nfs/dbraw/zinc/85/84/57/667858457.db2.gz	XBDVCQMMGOIBJR-KBPBESRZSA-N	-1	0	323.370	0.773	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C	ZINC000871940305	667858623	/nfs/dbraw/zinc/85/86/23/667858623.db2.gz	QAKHTORKNHBRJB-UHFFFAOYSA-N	-1	0	311.359	0.930	20	30		DCEDRM
CC#CCN(C)S(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1	ZINC000871969761	667860308	/nfs/dbraw/zinc/86/03/08/667860308.db2.gz	QGUHBJJVYJMGLX-UHFFFAOYSA-N	-1	0	311.359	0.966	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccon2)cc1	ZINC000747179036	667896355	/nfs/dbraw/zinc/89/63/55/667896355.db2.gz	MLMZKIXSLQBURV-UHFFFAOYSA-N	-1	0	305.315	0.735	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000747183414	667896607	/nfs/dbraw/zinc/89/66/07/667896607.db2.gz	YEINTWXYIFJVCQ-UHFFFAOYSA-N	-1	0	321.314	0.571	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnc2c(cnn2C)c1	ZINC000747479292	667904645	/nfs/dbraw/zinc/90/46/45/667904645.db2.gz	LMMYWFQAOSCYBF-GFCCVEGCSA-N	-1	0	315.333	0.443	20	30		DCEDRM
CC(C)NC(=O)CN(C)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748410277	667927050	/nfs/dbraw/zinc/92/70/50/667927050.db2.gz	GSYPSCWAYUVWHN-UHFFFAOYSA-N	-1	0	304.350	0.659	20	30		DCEDRM
N#C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CCCCC1	ZINC000748719731	667935450	/nfs/dbraw/zinc/93/54/50/667935450.db2.gz	DAQOQTJDZVZGDX-GFCCVEGCSA-N	-1	0	314.349	0.660	20	30		DCEDRM
COC(=O)c1c(C)n[n-]c1S(=O)(=O)OCC(F)(F)F	ZINC000750944515	667991943	/nfs/dbraw/zinc/99/19/43/667991943.db2.gz	WKYKDUSJIHFYSX-UHFFFAOYSA-N	-1	0	302.230	0.772	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc3c(c2)OCO3)CC1	ZINC000753945340	668038528	/nfs/dbraw/zinc/03/85/28/668038528.db2.gz	ONFXOJZCWSRHIY-UHFFFAOYSA-N	-1	0	308.315	0.779	20	30		DCEDRM
NC(=O)c1ccc([N-]N=C2C(=O)Nc3cccc(Cl)c32)nn1	ZINC000756845266	668102834	/nfs/dbraw/zinc/10/28/34/668102834.db2.gz	XAFAKFJIHLXKIR-UHFFFAOYSA-N	-1	0	316.708	0.997	20	30		DCEDRM
N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000761114099	668306615	/nfs/dbraw/zinc/30/66/15/668306615.db2.gz	CTMGDDDXYTWXAA-UHFFFAOYSA-N	-1	0	319.342	0.929	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(CNS(C)(=O)=O)o1	ZINC000762065705	668345717	/nfs/dbraw/zinc/34/57/17/668345717.db2.gz	AXJSWVJVUXCALZ-UHFFFAOYSA-N	-1	0	316.335	0.042	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(OC(F)F)n(C)n1	ZINC000767961697	668593583	/nfs/dbraw/zinc/59/35/83/668593583.db2.gz	ZBCUTKOXQGHBEF-ZETCQYMHSA-N	-1	0	316.264	0.107	20	30		DCEDRM
C[C@H]1CCCC[C@@H]1NC(=S)NN=Cc1cn(CC(=O)[O-])nn1	ZINC000768477642	668611079	/nfs/dbraw/zinc/61/10/79/668611079.db2.gz	WYAJNDRAAHORJC-ONGXEEELSA-N	-1	0	324.410	0.739	20	30		DCEDRM
CCCCC1N=NC(=S)N1N=Cc1cn(CC(=O)[O-])nn1	ZINC000768476576	668611342	/nfs/dbraw/zinc/61/13/42/668611342.db2.gz	QMORCSJUJKABQM-UHFFFAOYSA-N	-1	0	309.355	0.468	20	30		DCEDRM
Cc1ccn2ncc(C([O-])=C(C#N)C(=O)c3nccn3C)c2n1	ZINC000770866920	668721000	/nfs/dbraw/zinc/72/10/00/668721000.db2.gz	ZMGLHGCNIXVRER-JTQLQIEISA-N	-1	0	308.301	0.977	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CN1C(=O)c2ccc(C)cc2C1=O	ZINC000772718238	668782254	/nfs/dbraw/zinc/78/22/54/668782254.db2.gz	PODCYNGYXPKMLB-UHFFFAOYSA-N	-1	0	322.342	0.223	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nn(C)c(=O)c2ccccc21	ZINC000772721198	668782624	/nfs/dbraw/zinc/78/26/24/668782624.db2.gz	GUFDKNLOFVGEGV-UHFFFAOYSA-N	-1	0	307.331	0.179	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CSc1nncn1C(C)C	ZINC000772723669	668782679	/nfs/dbraw/zinc/78/26/79/668782679.db2.gz	PIRKVOSQFGWTLJ-UHFFFAOYSA-N	-1	0	304.397	0.583	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nnnn1C1CC1	ZINC000772720834	668782703	/nfs/dbraw/zinc/78/27/03/668782703.db2.gz	WTUQVMFCDFFZKP-SSDOTTSWSA-N	-1	0	317.396	0.121	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCn1cc(Br)cn1	ZINC000772721822	668782724	/nfs/dbraw/zinc/78/27/24/668782724.db2.gz	YOFLBKSYPVWBFR-UHFFFAOYSA-N	-1	0	322.184	0.668	20	30		DCEDRM
C[C@@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000774207388	668826773	/nfs/dbraw/zinc/82/67/73/668826773.db2.gz	JNAIFVFSTJPCIQ-GHMZBOCLSA-N	-1	0	300.380	0.799	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000776116812	668871032	/nfs/dbraw/zinc/87/10/32/668871032.db2.gz	ZSFPHFXUEXPLMH-UHFFFAOYSA-N	-1	0	321.358	0.935	20	30		DCEDRM
Cc1nn(C)c(C)c1[C@H](C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776119141	668871203	/nfs/dbraw/zinc/87/12/03/668871203.db2.gz	FNYZVZQQJIMNNR-VIFPVBQESA-N	-1	0	312.395	0.890	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1	ZINC000776123277	668871365	/nfs/dbraw/zinc/87/13/65/668871365.db2.gz	NJFMJUUEPIWARG-UHFFFAOYSA-N	-1	0	320.334	0.026	20	30		DCEDRM
COCCOc1cc(C([O-])=C(C#N)C(=O)NC2CC2)ccn1	ZINC000777304542	668886179	/nfs/dbraw/zinc/88/61/79/668886179.db2.gz	RKDHOOPOERPDAV-LBPRGKRZSA-N	-1	0	303.318	0.708	20	30		DCEDRM
C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000779543859	668912837	/nfs/dbraw/zinc/91/28/37/668912837.db2.gz	YPGJNUOFSKHOII-SDBXPKJASA-N	-1	0	303.318	0.478	20	30		DCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)on1	ZINC000781447748	669044011	/nfs/dbraw/zinc/04/40/11/669044011.db2.gz	KVZDNTBGVPFLMY-SECBINFHSA-N	-1	0	305.290	0.842	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)CO1	ZINC000784555420	669210762	/nfs/dbraw/zinc/21/07/62/669210762.db2.gz	MOYYKVOHCABKQN-IUCAKERBSA-N	-1	0	312.322	0.927	20	30		DCEDRM
Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cn1	ZINC000784920483	669230651	/nfs/dbraw/zinc/23/06/51/669230651.db2.gz	GLINITQQQKSDCN-UHFFFAOYSA-N	-1	0	312.395	0.693	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1cccc(OC)c1	ZINC000785121090	669237477	/nfs/dbraw/zinc/23/74/77/669237477.db2.gz	MBLDKADAVGUILA-UHFFFAOYSA-N	-1	0	311.359	0.681	20	30		DCEDRM
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000880830392	669272447	/nfs/dbraw/zinc/27/24/47/669272447.db2.gz	LQKYZQHTSSYWEH-YJRXYDGGSA-N	-1	0	314.345	0.496	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cc1	ZINC000788342231	669431988	/nfs/dbraw/zinc/43/19/88/669431988.db2.gz	FPCMEVPNBAICSF-LBPRGKRZSA-N	-1	0	318.329	0.721	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F)C(=O)OC	ZINC000882253632	669487314	/nfs/dbraw/zinc/48/73/14/669487314.db2.gz	YNERTVIZSGXWQB-DTWKUNHWSA-N	-1	0	309.334	0.762	20	30		DCEDRM
C#CC[C@@H](CO)[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F	ZINC000882340585	669504275	/nfs/dbraw/zinc/50/42/75/669504275.db2.gz	AZNDWMODOWUGMX-LURJTMIESA-N	-1	0	311.256	0.906	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2ccc(F)cn2)CCC1	ZINC000805918916	669543686	/nfs/dbraw/zinc/54/36/86/669543686.db2.gz	CPESWHZEIKTLCK-UHFFFAOYSA-N	-1	0	311.338	0.903	20	30		DCEDRM
COC(=O)c1cn(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])nn1	ZINC000790574829	669560688	/nfs/dbraw/zinc/56/06/88/669560688.db2.gz	OOPOAPUKSDADCK-VGOFMYFVSA-N	-1	0	319.277	0.798	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCCO1	ZINC000791109594	669594208	/nfs/dbraw/zinc/59/42/08/669594208.db2.gz	SIPRKFSKKTUFPL-RYUDHWBXSA-N	-1	0	303.380	0.430	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CS2	ZINC000791110388	669594554	/nfs/dbraw/zinc/59/45/54/669594554.db2.gz	CJJYQJPBGJYGDF-UHFFFAOYSA-N	-1	0	324.383	0.814	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1Cn1cncn1	ZINC000791109405	669594615	/nfs/dbraw/zinc/59/46/15/669594615.db2.gz	QFMUFCJTVDSMCF-UHFFFAOYSA-N	-1	0	318.358	0.409	20	30		DCEDRM
CN(CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)[C@@H]1CCSC1	ZINC000793201177	669707288	/nfs/dbraw/zinc/70/72/88/669707288.db2.gz	ISZHAGQVFFARBL-SNVBAGLBSA-N	-1	0	317.436	0.173	20	30		DCEDRM
Cn1ncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1C(F)F	ZINC000793202863	669707689	/nfs/dbraw/zinc/70/76/89/669707689.db2.gz	CCOLNCUPONSJCG-UHFFFAOYSA-N	-1	0	318.305	0.721	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000158586183	669927502	/nfs/dbraw/zinc/92/75/02/669927502.db2.gz	ZJBCEQWNZPBACN-SECBINFHSA-N	-1	0	318.738	0.590	20	30		DCEDRM
O=C(Cn1cnc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1cccs1	ZINC000048863765	669942890	/nfs/dbraw/zinc/94/28/90/669942890.db2.gz	KFYASBAWWBGZKK-UHFFFAOYSA-N	-1	0	317.308	0.593	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCN(CC(F)(F)F)C1	ZINC000796794083	669943105	/nfs/dbraw/zinc/94/31/05/669943105.db2.gz	WZHUBRZTPYILDK-QMMMGPOBSA-N	-1	0	300.302	0.503	20	30		DCEDRM
Cc1ncc(S(=O)(=O)[N-]C(=O)c2ccnc(C#N)c2)s1	ZINC000796903205	669947648	/nfs/dbraw/zinc/94/76/48/669947648.db2.gz	BUHXAQJVRAHXLK-UHFFFAOYSA-N	-1	0	308.344	0.837	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2	ZINC000797032259	669953883	/nfs/dbraw/zinc/95/38/83/669953883.db2.gz	PMCMYFIORIMWRG-UHFFFAOYSA-N	-1	0	312.351	0.275	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc2ccccc2c(=O)n1C	ZINC000797185822	669958656	/nfs/dbraw/zinc/95/86/56/669958656.db2.gz	WCCXHXNANPJIFK-UHFFFAOYSA-N	-1	0	306.343	0.784	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cncc(-n2ccnn2)c1	ZINC000802115258	670150932	/nfs/dbraw/zinc/15/09/32/670150932.db2.gz	VPZLBAAPGDEBRN-LBPRGKRZSA-N	-1	0	321.300	0.601	20	30		DCEDRM
N#Cc1csc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)c1	ZINC000802207446	670157804	/nfs/dbraw/zinc/15/78/04/670157804.db2.gz	XCWVHOWNJDKORH-UHFFFAOYSA-N	-1	0	322.371	0.881	20	30		DCEDRM
C=CCn1cccc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000948772783	670178342	/nfs/dbraw/zinc/17/83/42/670178342.db2.gz	JCIMMXJDSJUFNB-UHFFFAOYSA-N	-1	0	316.365	0.456	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)cn1	ZINC000803000762	670232666	/nfs/dbraw/zinc/23/26/66/670232666.db2.gz	DZZQYLPIUBRGIK-SNVBAGLBSA-N	-1	0	309.347	0.439	20	30		DCEDRM
C=C(Cl)CN1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC000951550528	670299763	/nfs/dbraw/zinc/29/97/63/670299763.db2.gz	QBXMDHMMTDDJEG-UHFFFAOYSA-N	-1	0	321.768	0.533	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2CCN(C(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC000949390374	670330786	/nfs/dbraw/zinc/33/07/86/670330786.db2.gz	DMZHJMAASOWSAY-SECBINFHSA-N	-1	0	319.365	0.552	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1	ZINC000810580397	670490376	/nfs/dbraw/zinc/49/03/76/670490376.db2.gz	FSOHSYBEXQQLOE-UHFFFAOYSA-N	-1	0	322.386	0.948	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)cn1	ZINC000810610776	670491864	/nfs/dbraw/zinc/49/18/64/670491864.db2.gz	KNZLZDMGWWOOCF-UHFFFAOYSA-N	-1	0	305.319	0.288	20	30		DCEDRM
N#CCOc1cccc(CC(=O)[N-]S(=O)(=O)c2cc[nH]n2)c1	ZINC000810707758	670494745	/nfs/dbraw/zinc/49/47/45/670494745.db2.gz	YWNWLAKJVPBJKA-UHFFFAOYSA-N	-1	0	320.330	0.360	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H](NC(N)=O)c1ccccc1	ZINC000810775488	670497228	/nfs/dbraw/zinc/49/72/28/670497228.db2.gz	IHANRSMJVGUZOE-LBPRGKRZSA-N	-1	0	323.374	0.255	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc([S@](C)=O)cc1	ZINC000810780619	670497489	/nfs/dbraw/zinc/49/74/89/670497489.db2.gz	KDXJWKGAHLOFSI-IBGZPJMESA-N	-1	0	313.400	0.436	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ncn(-c2ccccc2)n1	ZINC000810782391	670497744	/nfs/dbraw/zinc/49/77/44/670497744.db2.gz	OQXGZFKZEBGUGL-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1OC	ZINC000810781949	670497755	/nfs/dbraw/zinc/49/77/55/670497755.db2.gz	IYMVRPGRZFEOIK-UHFFFAOYSA-N	-1	0	312.303	0.686	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H]1Oc2ccccc2NC1=O	ZINC000810784112	670498036	/nfs/dbraw/zinc/49/80/36/670498036.db2.gz	SAFIMFSGJGEUIQ-GFCCVEGCSA-N	-1	0	322.342	0.246	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000810831062	670498873	/nfs/dbraw/zinc/49/88/73/670498873.db2.gz	LOJYUEPMBNRDGV-UHFFFAOYSA-N	-1	0	310.291	0.457	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)CC1	ZINC000810983305	670501942	/nfs/dbraw/zinc/50/19/42/670501942.db2.gz	PLGRYSWMWNCXLF-GHMZBOCLSA-N	-1	0	314.407	0.833	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)CC1	ZINC000810987349	670502237	/nfs/dbraw/zinc/50/22/37/670502237.db2.gz	ISECKZYXWOLURE-UHFFFAOYSA-N	-1	0	306.347	0.898	20	30		DCEDRM
COCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(C#N)cc2)CC1	ZINC000811152277	670510881	/nfs/dbraw/zinc/51/08/81/670510881.db2.gz	UJNWFYFJRRQXSW-UHFFFAOYSA-N	-1	0	308.359	0.726	20	30		DCEDRM
CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2nnn[n-]2)CC1	ZINC000847505270	670566158	/nfs/dbraw/zinc/56/61/58/670566158.db2.gz	NSAYEAHVIYDXGU-UHFFFAOYSA-N	-1	0	320.353	0.789	20	30		DCEDRM
COC(=O)CCCO[N-]C(=O)C(=O)Nc1cc(C)c(C#N)cn1	ZINC000847522897	670569134	/nfs/dbraw/zinc/56/91/34/670569134.db2.gz	AVKNUCMFICUDOF-UHFFFAOYSA-N	-1	0	320.305	0.201	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)CCN2C(=O)CCNC2=S)c1	ZINC000847615513	670581980	/nfs/dbraw/zinc/58/19/80/670581980.db2.gz	FXJCBHSMFQOXBP-UHFFFAOYSA-N	-1	0	318.358	0.699	20	30		DCEDRM
CN(C)c1cnc(C([O-])=C(C#N)C(=O)NC2CCCC2)cn1	ZINC000847625679	670583054	/nfs/dbraw/zinc/58/30/54/670583054.db2.gz	RJLDJLDHLMOGIT-LLVKDONJSA-N	-1	0	301.350	0.924	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847848863	670607059	/nfs/dbraw/zinc/60/70/59/670607059.db2.gz	NAOIAZAPDJGQEI-CYBMUJFWSA-N	-1	0	315.395	0.595	20	30		DCEDRM
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1ccccc1	ZINC000112495007	670607615	/nfs/dbraw/zinc/60/76/15/670607615.db2.gz	VSZWPOIZZRIHPI-LBPRGKRZSA-N	-1	0	306.343	0.266	20	30		DCEDRM
CC(C)(C)n1cnc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n1	ZINC000813084389	670609574	/nfs/dbraw/zinc/60/95/74/670609574.db2.gz	OUMKGKRZBVEULO-UHFFFAOYSA-N	-1	0	311.367	0.396	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CCC1	ZINC000847998203	670618437	/nfs/dbraw/zinc/61/84/37/670618437.db2.gz	OTFVFORIFMMOTO-UHFFFAOYSA-N	-1	0	313.335	0.325	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000813957354	670666786	/nfs/dbraw/zinc/66/67/86/670666786.db2.gz	ZMVFXLCJWPAHDR-UHFFFAOYSA-N	-1	0	317.370	0.757	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCCn2cccn2)c1	ZINC000813982067	670667810	/nfs/dbraw/zinc/66/78/10/670667810.db2.gz	BHPCECOIEJNYSS-UHFFFAOYSA-N	-1	0	319.346	0.435	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)[N-]OCCSC	ZINC000814181218	670678942	/nfs/dbraw/zinc/67/89/42/670678942.db2.gz	WGWHXWDTQFHYJX-GHMZBOCLSA-N	-1	0	302.396	0.495	20	30		DCEDRM
Cc1nn(CC(=O)OC(C)C)c(C)c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814233027	670681908	/nfs/dbraw/zinc/68/19/08/670681908.db2.gz	XZRPVUHKPULKIB-UHFFFAOYSA-N	-1	0	322.325	0.336	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1ccccc1	ZINC000848607992	670704150	/nfs/dbraw/zinc/70/41/50/670704150.db2.gz	NNIPHTALNNTGKN-WCQYABFASA-N	-1	0	302.330	0.704	20	30		DCEDRM
O=C([O-])COc1ccc(C=NNCCO)cc1Br	ZINC000814943788	670708840	/nfs/dbraw/zinc/70/88/40/670708840.db2.gz	UTQIBDSIJUXSLJ-UHFFFAOYSA-N	-1	0	317.139	0.828	20	30		DCEDRM
C#CCO[N-]C(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1	ZINC000855606705	670734980	/nfs/dbraw/zinc/73/49/80/670734980.db2.gz	OETMVKZJXGPSGZ-INIZCTEOSA-N	-1	0	318.329	0.753	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc2nncn2c1	ZINC000113651609	670755504	/nfs/dbraw/zinc/75/55/04/670755504.db2.gz	ZUYZPOLWJLJLOJ-LBPRGKRZSA-N	-1	0	315.333	0.595	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-]	ZINC000849218038	670765395	/nfs/dbraw/zinc/76/53/95/670765395.db2.gz	MXKXEVXLBYWNKV-LLVKDONJSA-N	-1	0	306.384	0.351	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ncc(C#N)cc1C	ZINC000816086182	670785510	/nfs/dbraw/zinc/78/55/10/670785510.db2.gz	BVITZNQKVTWTNT-UHFFFAOYSA-N	-1	0	319.346	0.422	20	30		DCEDRM
CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000816095076	670786441	/nfs/dbraw/zinc/78/64/41/670786441.db2.gz	PAASNCYZMQFBJP-QWHCGFSZSA-N	-1	0	323.374	0.963	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000817110467	670894891	/nfs/dbraw/zinc/89/48/91/670894891.db2.gz	FRXBJBAHYAVEMD-UHFFFAOYSA-N	-1	0	318.329	0.248	20	30		DCEDRM
CON(C)C(=O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000817148816	670901943	/nfs/dbraw/zinc/90/19/43/670901943.db2.gz	OYPJMBRZRSHYPK-UHFFFAOYSA-N	-1	0	319.289	0.135	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)CCN(C)C2=O	ZINC000850476122	670916623	/nfs/dbraw/zinc/91/66/23/670916623.db2.gz	HUAJBKCSPYFCDC-UHFFFAOYSA-N	-1	0	317.345	0.877	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000850733964	670936741	/nfs/dbraw/zinc/93/67/41/670936741.db2.gz	BAFFXLPRJPXHDJ-SECBINFHSA-N	-1	0	320.334	0.017	20	30		DCEDRM
CCOCCS(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000850832620	670945879	/nfs/dbraw/zinc/94/58/79/670945879.db2.gz	BBUSUGTWWLNXPQ-UHFFFAOYSA-N	-1	0	304.368	0.179	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000850926003	670955379	/nfs/dbraw/zinc/95/53/79/670955379.db2.gz	GSXKJCXKOVESCG-NSHDSACASA-N	-1	0	301.368	0.207	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1COC[C@@H]1c1ccccc1	ZINC000850999487	670960217	/nfs/dbraw/zinc/96/02/17/670960217.db2.gz	GMFBKISIUVXPAE-ZIAGYGMSSA-N	-1	0	307.371	0.886	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12	ZINC000850999927	670960349	/nfs/dbraw/zinc/96/03/49/670960349.db2.gz	MSILMOBLNVLWJR-UTUOFQBUSA-N	-1	0	312.391	0.151	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1COC[C@@H]1c1ccccc1	ZINC000851015265	670961528	/nfs/dbraw/zinc/96/15/28/670961528.db2.gz	BWMUTQOUMLJNIC-CHWSQXEVSA-N	-1	0	308.359	0.776	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21	ZINC000851016615	670961545	/nfs/dbraw/zinc/96/15/45/670961545.db2.gz	YXVVYYUOQFQGGO-GMTAPVOTSA-N	-1	0	313.379	0.041	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12	ZINC000851016617	670961566	/nfs/dbraw/zinc/96/15/66/670961566.db2.gz	YXVVYYUOQFQGGO-MXWKQRLJSA-N	-1	0	313.379	0.041	20	30		DCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)[C@H]1CCCO1	ZINC000851040379	670963544	/nfs/dbraw/zinc/96/35/44/670963544.db2.gz	IXJLTRAJOJRSMV-GXFFZTMASA-N	-1	0	323.374	0.963	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851328410	670978154	/nfs/dbraw/zinc/97/81/54/670978154.db2.gz	GUAKZDLEBMRPRI-UHFFFAOYSA-N	-1	0	311.319	0.988	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)CCc1ccccc1F	ZINC000851326638	670978215	/nfs/dbraw/zinc/97/82/15/670978215.db2.gz	SCUPHAAOUMMXSA-LLVKDONJSA-N	-1	0	313.350	0.853	20	30		DCEDRM
C#C[C@@H](CCC)NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000858390189	670999227	/nfs/dbraw/zinc/99/92/27/670999227.db2.gz	BQTLWVMDBXDSQV-NSHDSACASA-N	-1	0	315.333	0.189	20	30		DCEDRM
COc1ccc2c(c1)OC[C@H]2CC(=O)N[C@H]1CCN(O)C1=O	ZINC000820147888	671171799	/nfs/dbraw/zinc/17/17/99/671171799.db2.gz	ABNHGAXGZIXJKQ-SKDRFNHKSA-N	-1	0	306.318	0.668	20	30		DCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1ccc(Br)nc1	ZINC000820147982	671171819	/nfs/dbraw/zinc/17/18/19/671171819.db2.gz	BRUZXNPYTKQHHT-SSDOTTSWSA-N	-1	0	300.112	0.564	20	30		DCEDRM
O=C(Cc1ccn(-c2ccccc2)n1)N[C@H]1CCN(O)C1=O	ZINC000820147890	671172218	/nfs/dbraw/zinc/17/22/18/671172218.db2.gz	ADRVKGGJCLRGDM-ZDUSSCGKSA-N	-1	0	300.318	0.521	20	30		DCEDRM
CC(C)(C)[C@H](C(=O)[O-])C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000852952153	671199221	/nfs/dbraw/zinc/19/92/21/671199221.db2.gz	VULGWNPFHGMYSM-GYXQTMOZSA-N	-1	0	323.349	0.376	20	30		DCEDRM
N#Cc1cccc(C2(NC(=O)COCC(=O)[O-])CCOCC2)c1	ZINC000852957653	671200215	/nfs/dbraw/zinc/20/02/15/671200215.db2.gz	QYETYLJAKMRTMV-UHFFFAOYSA-N	-1	0	318.329	0.781	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)cn2ccnc12	ZINC000860469227	671211595	/nfs/dbraw/zinc/21/15/95/671211595.db2.gz	PVCRIURUIUKHIG-LBPRGKRZSA-N	-1	0	300.318	0.728	20	30		DCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)n1cccn1	ZINC000820652012	671216958	/nfs/dbraw/zinc/21/69/58/671216958.db2.gz	KRQQQLIYMXFZHV-LLVKDONJSA-N	-1	0	310.379	0.974	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000853344590	671228341	/nfs/dbraw/zinc/22/83/41/671228341.db2.gz	DLXMXQLTBKKIHD-NSHDSACASA-N	-1	0	312.391	0.086	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1COc2cc(F)ccc2C1	ZINC000860722533	671233405	/nfs/dbraw/zinc/23/34/05/671233405.db2.gz	YULPXEPNKRMEAZ-NSHDSACASA-N	-1	0	311.334	0.846	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@]1(C2CCCC2)CCNC1=O	ZINC000860721303	671233693	/nfs/dbraw/zinc/23/36/93/671233693.db2.gz	CKNGDWWZEFLNAR-AWEZNQCLSA-N	-1	0	312.391	0.152	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1	ZINC000860752013	671235207	/nfs/dbraw/zinc/23/52/07/671235207.db2.gz	JUVZRMZQHMYKEW-UHFFFAOYSA-N	-1	0	322.346	0.182	20	30		DCEDRM
Cc1cn(CC(=O)[N-]S(=O)(=O)CCC#N)nc1C(F)(F)F	ZINC000860752370	671235400	/nfs/dbraw/zinc/23/54/00/671235400.db2.gz	MNWADBZKPBIKQY-UHFFFAOYSA-N	-1	0	324.284	0.570	20	30		DCEDRM
C#CCOCCC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000830816931	671642350	/nfs/dbraw/zinc/64/23/50/671642350.db2.gz	VSEJPXDRDYCBTK-LBPRGKRZSA-N	-1	0	306.284	0.696	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000832752932	671739457	/nfs/dbraw/zinc/73/94/57/671739457.db2.gz	FNZXTPQQIWXDCV-LLVKDONJSA-N	-1	0	320.324	0.317	20	30		DCEDRM
C#CCOCC[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1	ZINC000867094572	671747879	/nfs/dbraw/zinc/74/78/79/671747879.db2.gz	PLUXVHDFMBRMKW-LJQANCHMSA-N	-1	0	316.404	0.628	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1OCC	ZINC000835272253	671792399	/nfs/dbraw/zinc/79/23/99/671792399.db2.gz	MKODEHFAKOFOAQ-NSHDSACASA-N	-1	0	311.359	0.929	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC	ZINC000835315152	671793157	/nfs/dbraw/zinc/79/31/57/671793157.db2.gz	OXTRJEVSKZSSPD-MMWGEVLESA-N	-1	0	319.379	0.221	20	30		DCEDRM
Cc1nc2ccccc2n1CC(=O)[N-]S(=O)(=O)CCC#N	ZINC000835408688	671795552	/nfs/dbraw/zinc/79/55/52/671795552.db2.gz	MVGKVTUGECRJEX-UHFFFAOYSA-N	-1	0	306.347	0.704	20	30		DCEDRM
COc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835408646	671795646	/nfs/dbraw/zinc/79/56/46/671795646.db2.gz	LVHVRFCWFWIXRM-UHFFFAOYSA-N	-1	0	313.291	0.577	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000835410913	671795796	/nfs/dbraw/zinc/79/57/96/671795796.db2.gz	BDGSIWPIQKSVBF-NSHDSACASA-N	-1	0	321.358	0.399	20	30		DCEDRM
CNc1cc(C(=O)[N-]S(=O)(=O)CCC#N)cc(Cl)n1	ZINC000835412155	671796004	/nfs/dbraw/zinc/79/60/04/671796004.db2.gz	YFNDANPBWHXTGE-UHFFFAOYSA-N	-1	0	302.743	0.750	20	30		DCEDRM
C[C@H](NC(=O)C1CCCCC1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835413052	671796067	/nfs/dbraw/zinc/79/60/67/671796067.db2.gz	YCACXLGWULUROF-JTQLQIEISA-N	-1	0	315.395	0.431	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCOC[C@@H]2OC)CC1	ZINC000835449612	671796629	/nfs/dbraw/zinc/79/66/29/671796629.db2.gz	QAIYZQFABNOTMA-NEPJUHHUSA-N	-1	0	317.407	0.983	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)OC	ZINC000837949494	671889013	/nfs/dbraw/zinc/88/90/13/671889013.db2.gz	WYECKCOKGLLIAP-SSDOTTSWSA-N	-1	0	308.256	0.125	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCCCCCCC(=O)[O-]	ZINC000841775207	671953404	/nfs/dbraw/zinc/95/34/04/671953404.db2.gz	ZFQXKUSCXOTRSE-NSHDSACASA-N	-1	0	305.400	0.947	20	30		DCEDRM
COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000842356672	672007957	/nfs/dbraw/zinc/00/79/57/672007957.db2.gz	XOZMPKORRRSHTQ-UHFFFAOYSA-N	-1	0	310.331	0.489	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)CSc1n[n-]c(=S)s1	ZINC000844112204	672149245	/nfs/dbraw/zinc/14/92/45/672149245.db2.gz	IPAIKOSGFDROFC-ZETCQYMHSA-N	-1	0	303.434	0.809	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000844782528	672202295	/nfs/dbraw/zinc/20/22/95/672202295.db2.gz	BFGZVKBYYPOGAU-QMMMGPOBSA-N	-1	0	313.335	0.839	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000844794325	672203020	/nfs/dbraw/zinc/20/30/20/672203020.db2.gz	HCTZYNRXLJEJBF-NWDGAFQWSA-N	-1	0	317.411	0.899	20	30		DCEDRM
COC(C)(C)CS(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844812538	672204732	/nfs/dbraw/zinc/20/47/32/672204732.db2.gz	AXNPZXZJWSDLAN-UHFFFAOYSA-N	-1	0	303.380	0.541	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(C(=O)NCC)c1	ZINC000846152198	672297871	/nfs/dbraw/zinc/29/78/71/672297871.db2.gz	QDKOIDLKOVCNSR-SNVBAGLBSA-N	-1	0	305.334	0.997	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(C(=O)OCC)cnn1C	ZINC000846153950	672297963	/nfs/dbraw/zinc/29/79/63/672297963.db2.gz	MZFXZPOJNOTFBL-QMMMGPOBSA-N	-1	0	310.310	0.158	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCC(=O)OC)cc1	ZINC000846153346	672297968	/nfs/dbraw/zinc/29/79/68/672297968.db2.gz	XDUVDOQORYROEI-SNVBAGLBSA-N	-1	0	322.317	0.799	20	30		DCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000846712978	672339927	/nfs/dbraw/zinc/33/99/27/672339927.db2.gz	LVPRZKQGEOKYFM-ZSNFEOKMSA-N	-1	0	321.333	0.367	20	30		DCEDRM
COc1ncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cn1	ZINC000771080775	685337039	/nfs/dbraw/zinc/33/70/39/685337039.db2.gz	RKRSQEBPEAXCLA-UHFFFAOYSA-N	-1	0	310.335	0.239	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@@H]2CSCCS2)CC1	ZINC000793197183	685343586	/nfs/dbraw/zinc/34/35/86/685343586.db2.gz	PIVAKXLLWGSLOV-SECBINFHSA-N	-1	0	320.461	0.975	20	30		DCEDRM
CC(C)n1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)nn1	ZINC000813984538	685351519	/nfs/dbraw/zinc/35/15/19/685351519.db2.gz	VAWPTEKIVXQPGL-UHFFFAOYSA-N	-1	0	320.334	0.244	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cccc(F)c1C#N	ZINC000813985462	685351592	/nfs/dbraw/zinc/35/15/92/685351592.db2.gz	AWPQGNINNPFCSS-UHFFFAOYSA-N	-1	0	322.321	0.858	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)cn1	ZINC000850928189	685370733	/nfs/dbraw/zinc/37/07/33/685370733.db2.gz	BYRLYQVTZKGXEP-UHFFFAOYSA-N	-1	0	310.379	0.756	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(S(=O)(=O)C(F)F)cc1	ZINC000133263307	685120383	/nfs/dbraw/zinc/12/03/83/685120383.db2.gz	ZKTWXWKCSONWGE-SECBINFHSA-N	-1	0	316.285	0.751	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001038809154	694198302	/nfs/dbraw/zinc/19/83/02/694198302.db2.gz	XRKHOOOPQUHQHY-MDZLAQPJSA-N	-1	0	321.381	0.182	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)c1[O-]	ZINC000961388175	688607356	/nfs/dbraw/zinc/60/73/56/688607356.db2.gz	XFWLPQBEWJDZTQ-IEBDPFPHSA-N	-1	0	317.349	0.114	20	30		DCEDRM
C=C1CC(C)(C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)C1	ZINC001072964242	694688868	/nfs/dbraw/zinc/68/88/68/694688868.db2.gz	OXMJSJOKXSPBBX-UHFFFAOYSA-N	-1	0	317.393	0.901	20	30		DCEDRM
C=C(C)CCC(=O)NCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001076794573	695055470	/nfs/dbraw/zinc/05/54/70/695055470.db2.gz	IQJUQWNFMHEEPY-VIFPVBQESA-N	-1	0	323.353	0.264	20	30		DCEDRM
C#CCCCC(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001571686460	1162901301	/nfs/dbraw/zinc/90/13/01/1162901301.db2.gz	XKTWWZGOOIHHSZ-UHFFFAOYSA-N	-1	0	303.366	0.562	20	30		DCEDRM
CCSCCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001626041926	1158617546	/nfs/dbraw/zinc/61/75/46/1158617546.db2.gz	MUXDUIKVYDPXEV-UHFFFAOYSA-N	-1	0	310.379	0.470	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N[C@@]2(CC(=O)[O-])CCCOC2)CC1	ZINC001610620186	1159838672	/nfs/dbraw/zinc/83/86/72/1159838672.db2.gz	CFNYUVSVAARODQ-CYBMUJFWSA-N	-1	0	316.379	0.624	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001572248929	1163078383	/nfs/dbraw/zinc/07/83/83/1163078383.db2.gz	FEAIFZFZJIZQJX-JTQLQIEISA-N	-1	0	322.365	0.040	20	30		DCEDRM
CC(C)[C@H](CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NCC#N	ZINC001568470290	1160653477	/nfs/dbraw/zinc/65/34/77/1160653477.db2.gz	LEWRRHAHGHVKCH-VIFPVBQESA-N	-1	0	322.331	0.697	20	30		DCEDRM
C=CCO[N-]C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC001569151067	1160961134	/nfs/dbraw/zinc/96/11/34/1160961134.db2.gz	XLRHVMNPSDKBHU-UHFFFAOYSA-N	-1	0	309.278	0.567	20	30		DCEDRM
C#CCN(C(=O)C(C)C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001569582385	1161154829	/nfs/dbraw/zinc/15/48/29/1161154829.db2.gz	GJCFUZUETAZPJJ-UHFFFAOYSA-N	-1	0	305.382	0.593	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)Cn1cc([C@H](C)O)nn1)C(=O)[O-]	ZINC001573308112	1163412681	/nfs/dbraw/zinc/41/26/81/1163412681.db2.gz	PXVDVMCDEJFWSY-YUMQZZPRSA-N	-1	0	302.718	0.043	20	30		DCEDRM
C[C@@H](NS(=O)(=O)CC(C)(C)CC#N)c1nc(C(=O)[O-])n[nH]1	ZINC001573578824	1163508882	/nfs/dbraw/zinc/50/88/82/1163508882.db2.gz	NYZKWERBCIJNIR-SSDOTTSWSA-N	-1	0	315.355	0.423	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001573769353	1163548068	/nfs/dbraw/zinc/54/80/68/1163548068.db2.gz	OWIJWFMVEQMPPO-UTUOFQBUSA-N	-1	0	317.411	0.946	20	30		DCEDRM
CCOC(=O)[C@H](CC(=O)[O-])S[C@H](C)C(=O)N(C)CCC#N	ZINC001573780977	1163551981	/nfs/dbraw/zinc/55/19/81/1163551981.db2.gz	BKJIRFLPWRLAQQ-ZJUUUORDSA-N	-1	0	316.379	0.887	20	30		DCEDRM
CCn1cc(C#N)c(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1C(=O)[O-]	ZINC001573844891	1163565382	/nfs/dbraw/zinc/56/53/82/1163565382.db2.gz	QFHPSFKBQTUBCP-BDAKNGLRSA-N	-1	0	318.333	0.918	20	30		DCEDRM
Cc1cnn(C)c1C(=O)Nc1c(C(=O)[O-])cnn1CCC#N	ZINC001574180793	1163654026	/nfs/dbraw/zinc/65/40/26/1163654026.db2.gz	VVTGJZPHFJWDAL-UHFFFAOYSA-N	-1	0	302.294	0.789	20	30		DCEDRM
Cn1cc(C(=O)Nc2ccc(NC(=O)[O-])c(C#N)c2)n(C)c1=O	ZINC001574212206	1163665909	/nfs/dbraw/zinc/66/59/09/1163665909.db2.gz	RPYLEVCSNKAZMD-UHFFFAOYSA-N	-1	0	315.289	0.938	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)co1	ZINC001574240824	1163672401	/nfs/dbraw/zinc/67/24/01/1163672401.db2.gz	BTJBFBSCOOXNFE-VXGBXAGGSA-N	-1	0	301.258	0.463	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)NCc2cc(C(=O)[O-])no2)cc1	ZINC001574245735	1163673102	/nfs/dbraw/zinc/67/31/02/1163673102.db2.gz	ZTLYFIMUZRKURB-UHFFFAOYSA-N	-1	0	321.314	0.864	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)nc1	ZINC001574250329	1163674642	/nfs/dbraw/zinc/67/46/42/1163674642.db2.gz	YIFDBJMLVIJAKB-UHIISALHSA-N	-1	0	300.318	0.544	20	30		DCEDRM
CC[C@@H](Nc1cnc(-c2nn[nH]n2)c(C#N)n1)c1noc(C)n1	ZINC001576998310	1164578538	/nfs/dbraw/zinc/57/85/38/1164578538.db2.gz	BTMVUWRRFUNQNW-SSDOTTSWSA-N	-1	0	312.297	0.783	20	30		DCEDRM
CCCc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)no1	ZINC001577732822	1164775288	/nfs/dbraw/zinc/77/52/88/1164775288.db2.gz	CSGYATPWNLXYKQ-UHFFFAOYSA-N	-1	0	313.281	0.654	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001577874583	1164821752	/nfs/dbraw/zinc/82/17/52/1164821752.db2.gz	YPGIRKSWTKPALG-MRVPVSSYSA-N	-1	0	315.337	0.898	20	30		DCEDRM
CNc1nc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)cs1	ZINC001579431567	1165306947	/nfs/dbraw/zinc/30/69/47/1165306947.db2.gz	URINDWIGFIVGQI-UHFFFAOYSA-N	-1	0	314.338	0.639	20	30		DCEDRM
CON(CC1CCOCC1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579847581	1165410142	/nfs/dbraw/zinc/41/01/42/1165410142.db2.gz	HRJQHRRJGUYAEK-UHFFFAOYSA-N	-1	0	316.325	0.323	20	30		DCEDRM
C[C@H](CC(F)(F)F)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001580395670	1165591901	/nfs/dbraw/zinc/59/19/01/1165591901.db2.gz	JSPVYFRLGYIHBO-SCSAIBSYSA-N	-1	0	314.231	0.988	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1	ZINC001580768581	1165714422	/nfs/dbraw/zinc/71/44/22/1165714422.db2.gz	CLAPVBWVCAAUIK-QMMMGPOBSA-N	-1	0	324.308	0.233	20	30		DCEDRM
C#CCCCC(=O)NCCN(C(=O)c1n[nH]c(C)c1[O-])C1CC1	ZINC001581461022	1165829894	/nfs/dbraw/zinc/82/98/94/1165829894.db2.gz	APPPNFCFHAIGCI-UHFFFAOYSA-N	-1	0	318.377	0.948	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cnc(C3CC3)o2)[n-]c1-c1nn[nH]n1	ZINC001581860763	1165894252	/nfs/dbraw/zinc/89/42/52/1165894252.db2.gz	RUICJIJHBMONTD-UHFFFAOYSA-N	-1	0	311.265	0.579	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1C[C@H]1COc2ccccc2O1	ZINC001581860906	1165894566	/nfs/dbraw/zinc/89/45/66/1165894566.db2.gz	ZFJLGDQSLIJSDY-QMMMGPOBSA-N	-1	0	324.304	0.357	20	30		DCEDRM
N#Cc1cc(Cl)cc(Cn2cncc(-c3nnn[n-]3)c2=O)c1	ZINC001581866863	1165894966	/nfs/dbraw/zinc/89/49/66/1165894966.db2.gz	YHPXRYHMXLCDDX-UHFFFAOYSA-N	-1	0	313.708	0.997	20	30		DCEDRM
N#Cc1ncc(N[C@H]2CCC3(C2)OCCO3)nc1-c1nnn[n-]1	ZINC001581882474	1165902112	/nfs/dbraw/zinc/90/21/12/1165902112.db2.gz	ABKANCZQNJQGIK-QMMMGPOBSA-N	-1	0	314.309	0.236	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cccc3[nH]cnc32)c(=O)[n-]c1=O	ZINC001585295576	1166414940	/nfs/dbraw/zinc/41/49/40/1166414940.db2.gz	HLYKSMKQFJCVIO-UHFFFAOYSA-N	-1	0	324.300	0.127	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)C(C)(C)C	ZINC001588328595	1166523547	/nfs/dbraw/zinc/52/35/47/1166523547.db2.gz	LPFNZZZZYKLBDD-JTQLQIEISA-N	-1	0	320.378	0.588	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C)C(=O)[O-]	ZINC001588414287	1166551862	/nfs/dbraw/zinc/55/18/62/1166551862.db2.gz	KJSBOKWTPUIANF-MWLCHTKSSA-N	-1	0	315.329	0.670	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-]	ZINC001588413956	1166552296	/nfs/dbraw/zinc/55/22/96/1166552296.db2.gz	GDGVYBCYZFVVNA-LLVKDONJSA-N	-1	0	300.270	0.119	20	30		DCEDRM
C=CC[C@H]1CCCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1	ZINC001588560668	1166562569	/nfs/dbraw/zinc/56/25/69/1166562569.db2.gz	UBNNORWUBLLCRP-QWRGUYRKSA-N	-1	0	316.369	0.834	20	30		DCEDRM
C=CCNC(=O)Cn1cc(-c2nnn[n-]2)c2ccccc2c1=O	ZINC001588658203	1166576412	/nfs/dbraw/zinc/57/64/12/1166576412.db2.gz	BOLKIRCICWNVQE-UHFFFAOYSA-N	-1	0	310.317	0.484	20	30		DCEDRM
C=CCNC(=O)Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCCC2	ZINC001588658865	1166576472	/nfs/dbraw/zinc/57/64/72/1166576472.db2.gz	WFPSBNKLQLJMPX-UHFFFAOYSA-N	-1	0	314.349	0.209	20	30		DCEDRM
C=CCn1cc(CNCc2cc(-c3nn[nH]n3)cs2)nn1	ZINC001588716370	1166581027	/nfs/dbraw/zinc/58/10/27/1166581027.db2.gz	DIIXACLGYUMQBS-UHFFFAOYSA-N	-1	0	302.367	0.996	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(CNC(C)=O)cc1)C(=O)[O-]	ZINC001588861609	1166611787	/nfs/dbraw/zinc/61/17/87/1166611787.db2.gz	IOIDIVHIOMEAPX-CQSZACIVSA-N	-1	0	320.345	0.708	20	30		DCEDRM
CC(C)(C)C[C@H](O)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589119143	1166635740	/nfs/dbraw/zinc/63/57/40/1166635740.db2.gz	NSJQOFXKSCAVPX-QMMMGPOBSA-N	-1	0	302.342	0.737	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001589787326	1166688410	/nfs/dbraw/zinc/68/84/10/1166688410.db2.gz	JPMOLABCGJSKAY-MRVPVSSYSA-N	-1	0	307.339	0.184	20	30		DCEDRM
C[C@H](Cc1ccncc1)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589901673	1166712963	/nfs/dbraw/zinc/71/29/63/1166712963.db2.gz	CCNVQRJZYJVDNA-SECBINFHSA-N	-1	0	307.321	0.966	20	30		DCEDRM
CCCCCCCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C	ZINC001590594847	1166946415	/nfs/dbraw/zinc/94/64/15/1166946415.db2.gz	UUIBASWAWYJAON-UHFFFAOYSA-N	-1	0	321.385	0.646	20	30		DCEDRM
CCc1cncc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC001590900897	1167042440	/nfs/dbraw/zinc/04/24/40/1167042440.db2.gz	CXDMPJAGOOSJAH-UHFFFAOYSA-N	-1	0	309.293	0.671	20	30		DCEDRM
COCC1(Nc2cnc(C#N)c(-c3nnn[n-]3)n2)CCCC1	ZINC001591391251	1167261864	/nfs/dbraw/zinc/26/18/64/1167261864.db2.gz	YZMCPAWSTOLVRP-UHFFFAOYSA-N	-1	0	300.326	0.899	20	30		DCEDRM
COCc1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)o1	ZINC001591455909	1167293929	/nfs/dbraw/zinc/29/39/29/1167293929.db2.gz	ATKTWRAYAFPIEP-UHFFFAOYSA-N	-1	0	314.265	0.453	20	30		DCEDRM
Cc1ccncc1CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001592278925	1167482680	/nfs/dbraw/zinc/48/26/80/1167482680.db2.gz	PKVRDHOZSFAQAL-UHFFFAOYSA-N	-1	0	309.293	0.346	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1cc(Cl)n(C)n1	ZINC001592335709	1167492548	/nfs/dbraw/zinc/49/25/48/1167492548.db2.gz	WYBKCHUWQKLXOB-UHFFFAOYSA-N	-1	0	303.717	0.679	20	30		DCEDRM
Cc1cc(C)n(N=Cc2ccnc(C)n2)c(=O)c1-c1nnn[n-]1	ZINC001592415874	1167517233	/nfs/dbraw/zinc/51/72/33/1167517233.db2.gz	PULJTKZYHBWQIX-UHFFFAOYSA-N	-1	0	310.321	0.626	20	30		DCEDRM
Cn1ncc(Cl)c1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001592601169	1167577667	/nfs/dbraw/zinc/57/76/67/1167577667.db2.gz	SASXBZHUKYBHFX-UHFFFAOYSA-N	-1	0	318.688	0.101	20	30		DCEDRM
N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1	ZINC001592681553	1167599245	/nfs/dbraw/zinc/59/92/45/1167599245.db2.gz	DKDRALGBOUADPO-IUCAKERBSA-N	-1	0	322.350	0.820	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)Nc1ccc(C#N)cc1	ZINC001592695451	1167602637	/nfs/dbraw/zinc/60/26/37/1167602637.db2.gz	VCIKCSPXANZQJK-UHFFFAOYSA-N	-1	0	319.288	0.445	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CCc1ccc(C#N)cc1	ZINC001592692839	1167603120	/nfs/dbraw/zinc/60/31/20/1167603120.db2.gz	JQUITKQUMJOYSI-UHFFFAOYSA-N	-1	0	305.305	0.631	20	30		DCEDRM
N#Cc1ncc(N2C[C@H]3CCC[C@@H](C2)C3O)nc1-c1nnn[n-]1	ZINC001592708507	1167606094	/nfs/dbraw/zinc/60/60/94/1167606094.db2.gz	WEKMPLCTTFUHQS-PHXKMMTBSA-N	-1	0	312.337	0.126	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCO[C@@H]1CCOC1	ZINC001595921103	1167983564	/nfs/dbraw/zinc/98/35/64/1167983564.db2.gz	KQCJKBJXBURDKF-GFCCVEGCSA-N	-1	0	305.334	0.893	20	30		DCEDRM
Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(C)[C@]1(C#N)CCOC1	ZINC001599996738	1168084337	/nfs/dbraw/zinc/08/43/37/1168084337.db2.gz	GCHGNHKGEINLBQ-AWEZNQCLSA-N	-1	0	324.358	0.996	20	30		DCEDRM
Cc1cc(N2CCC(C#N)(C(=O)[O-])CC2)nc(S(C)(=O)=O)n1	ZINC001600238849	1168144161	/nfs/dbraw/zinc/14/41/61/1168144161.db2.gz	OGNIAJJQHIOMCB-UHFFFAOYSA-N	-1	0	324.362	0.383	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)ncc1C#N	ZINC001600244185	1168145241	/nfs/dbraw/zinc/14/52/41/1168145241.db2.gz	PJPLDWOHWJBHIK-VIFPVBQESA-N	-1	0	302.290	0.133	20	30		DCEDRM
Cc1cc(NC(=O)N2CC[C@@](O)(CC#N)C2)ncc1C(=O)[O-]	ZINC001600260110	1168151816	/nfs/dbraw/zinc/15/18/16/1168151816.db2.gz	HMSHQBMNJBHBLT-AWEZNQCLSA-N	-1	0	304.306	0.971	20	30		DCEDRM
Cc1cc(NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)ncc1C#N	ZINC001600264608	1168153119	/nfs/dbraw/zinc/15/31/19/1168153119.db2.gz	LAFLBHVIZHHIJY-KOLCDFICSA-N	-1	0	304.306	0.968	20	30		DCEDRM
Cn1cc(NC(=O)C(=O)N2CC[C@@](C)(C#N)C2)cc1C(=O)[O-]	ZINC001600958351	1168531627	/nfs/dbraw/zinc/53/16/27/1168531627.db2.gz	CJQNNUSCWQVAGY-AWEZNQCLSA-N	-1	0	304.306	0.424	20	30		DCEDRM
Cn1nc2c(c1/C=C\C(=O)c1cn(CC(=O)[O-])nn1)CCC2	ZINC001601017963	1168565855	/nfs/dbraw/zinc/56/58/55/1168565855.db2.gz	UCINZZRNIURNBG-WAYWQWQTSA-N	-1	0	301.306	0.481	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)NC[C@H](F)C(=O)[O-])ccc1Cl	ZINC001601091150	1168584281	/nfs/dbraw/zinc/58/42/81/1168584281.db2.gz	QXOTWXKKXXTMQR-VIFPVBQESA-N	-1	0	306.702	0.913	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)c2ccnn2CC(F)F)CC1	ZINC001601052385	1168577810	/nfs/dbraw/zinc/57/78/10/1168577810.db2.gz	BQLFPHQNPHWQHD-UHFFFAOYSA-N	-1	0	312.276	0.979	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(CC[C@H]2CCS(=O)(=O)C2)CC1	ZINC001601053323	1168578589	/nfs/dbraw/zinc/57/85/89/1168578589.db2.gz	UQFMALRMMMFLIR-NSHDSACASA-N	-1	0	300.380	0.502	20	30		DCEDRM
N#CC[C@@H](CC(=O)OCC(=O)NCC(=O)[O-])c1ccccc1	ZINC001601061855	1168579267	/nfs/dbraw/zinc/57/92/67/1168579267.db2.gz	IDARSNMPRKOTEE-LBPRGKRZSA-N	-1	0	304.302	0.818	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1	ZINC001601057683	1168579416	/nfs/dbraw/zinc/57/94/16/1168579416.db2.gz	DZUROKFOFGPFBT-ZUZCIYMTSA-N	-1	0	323.324	0.164	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)c2ccc(C(=O)[O-])s2)C1	ZINC001601062189	1168579969	/nfs/dbraw/zinc/57/99/69/1168579969.db2.gz	FDGWGQKIMBIWTF-UHFFFAOYSA-N	-1	0	302.333	0.095	20	30		DCEDRM
N#CC[C@@]1(O)CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1	ZINC001601062791	1168580025	/nfs/dbraw/zinc/58/00/25/1168580025.db2.gz	MPJAVXXQPGYGBA-OAHLLOKOSA-N	-1	0	303.318	0.674	20	30		DCEDRM
N#CCCNC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC001601068335	1168580332	/nfs/dbraw/zinc/58/03/32/1168580332.db2.gz	TUYIZGORRNXIKP-UHFFFAOYSA-N	-1	0	305.290	0.508	20	30		DCEDRM
N#CCC[C@H](C#N)Cn1cnc2c(cnn2CC(=O)[O-])c1=O	ZINC001601066637	1168580675	/nfs/dbraw/zinc/58/06/75/1168580675.db2.gz	OPAAQXGBAXSGQI-SECBINFHSA-N	-1	0	300.278	0.121	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCn1sc2ccccc2c1=O	ZINC001601069519	1168580762	/nfs/dbraw/zinc/58/07/62/1168580762.db2.gz	MMDHMELSPWNBAW-UHFFFAOYSA-N	-1	0	319.342	0.890	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CN1CCc2ccccc2C1=O	ZINC001601070997	1168581103	/nfs/dbraw/zinc/58/11/03/1168581103.db2.gz	OKKZMEJCUBEXHX-UHFFFAOYSA-N	-1	0	315.329	0.512	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)CCc1ccccc1F	ZINC001601072602	1168581517	/nfs/dbraw/zinc/58/15/17/1168581517.db2.gz	UMZSPPLUCGCXHA-UHFFFAOYSA-N	-1	0	300.311	0.608	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccnc(N2CCCC2)n1	ZINC001601072502	1168581624	/nfs/dbraw/zinc/58/16/24/1168581624.db2.gz	VVYSVEPKBZHOMG-UHFFFAOYSA-N	-1	0	303.322	0.517	20	30		DCEDRM
N#CCN1CCc2c(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])cccc2C1	ZINC001601074899	1168582530	/nfs/dbraw/zinc/58/25/30/1168582530.db2.gz	WAKWNBGVULVMAF-HUUCEWRRSA-N	-1	0	313.357	0.905	20	30		DCEDRM
N#CCNCCc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC001601074723	1168582598	/nfs/dbraw/zinc/58/25/98/1168582598.db2.gz	OGJAISSOMJPKNW-UONOGXRCSA-N	-1	0	301.346	0.679	20	30		DCEDRM
N#Cc1c(CN2CCCN(C(N)=O)CC2)cccc1C(=O)[O-]	ZINC001601081824	1168582862	/nfs/dbraw/zinc/58/28/62/1168582862.db2.gz	MOHJVYPOUMONII-UHFFFAOYSA-N	-1	0	302.334	0.843	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(C[C@H](O)COCc2ccco2)c1=O	ZINC001601087520	1168583531	/nfs/dbraw/zinc/58/35/31/1168583531.db2.gz	KPRXRNNMWMDKOQ-LBPRGKRZSA-N	-1	0	318.285	0.589	20	30		DCEDRM
N#Cc1cc(Cl)cc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1	ZINC001601086838	1168583565	/nfs/dbraw/zinc/58/35/65/1168583565.db2.gz	LFJNWYXTJXFRDS-LBPRGKRZSA-N	-1	0	307.737	0.987	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(C[C@@H](O)c2ccc(F)cn2)c1=O	ZINC001601086967	1168583726	/nfs/dbraw/zinc/58/37/26/1168583726.db2.gz	CJYXEOPTBCQOQY-GFCCVEGCSA-N	-1	0	303.249	0.686	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)c[nH]1	ZINC001601085325	1168583729	/nfs/dbraw/zinc/58/37/29/1168583729.db2.gz	ZTENZXBTEAHKGC-UHFFFAOYSA-N	-1	0	302.290	0.722	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)s1	ZINC001601101248	1168585475	/nfs/dbraw/zinc/58/54/75/1168585475.db2.gz	FJMNKSSDZBYTPS-LBPRGKRZSA-N	-1	0	323.374	0.987	20	30		DCEDRM
N#Cc1ccc(NC(=O)CN2CCC(O)(C(=O)[O-])CC2)cc1	ZINC001601107037	1168586106	/nfs/dbraw/zinc/58/61/06/1168586106.db2.gz	OWFCEMCCBOWDNC-UHFFFAOYSA-N	-1	0	303.318	0.408	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2C3CCC2(C(=O)[O-])CC3)nc1	ZINC001601108196	1168586438	/nfs/dbraw/zinc/58/64/38/1168586438.db2.gz	FZMFJTXDSMTHSG-UHFFFAOYSA-N	-1	0	300.318	0.973	20	30		DCEDRM
N#Cc1ccc(OCCOC(=O)Cn2cc(C(=O)[O-])nn2)cc1	ZINC001601109664	1168586491	/nfs/dbraw/zinc/58/64/91/1168586491.db2.gz	HELMOWNCPGUFHA-UHFFFAOYSA-N	-1	0	316.273	0.470	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])nc1	ZINC001601110564	1168586747	/nfs/dbraw/zinc/58/67/47/1168586747.db2.gz	DYIKUGDDMJEZJK-QMMMGPOBSA-N	-1	0	317.273	0.436	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)c2ccc3nnnn3c2)C(=O)[O-])c1	ZINC001601117703	1168587329	/nfs/dbraw/zinc/58/73/29/1168587329.db2.gz	OHPUMZWATPFQPC-ZDUSSCGKSA-N	-1	0	323.268	0.979	20	30		DCEDRM
N#Cc1cnc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])c(Cl)c1	ZINC001601130739	1168591096	/nfs/dbraw/zinc/59/10/96/1168591096.db2.gz	UQWUSOVWLUHMJE-SNVBAGLBSA-N	-1	0	308.725	0.776	20	30		DCEDRM
N#Cc1nccnc1NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001601135263	1168592506	/nfs/dbraw/zinc/59/25/06/1168592506.db2.gz	MPMOISFUHNOHPA-UWVGGRQHSA-N	-1	0	315.333	0.520	20	30		DCEDRM
O=C(C#CC1CC1)NC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001601224019	1168666676	/nfs/dbraw/zinc/66/66/76/1168666676.db2.gz	PCHWSWDBFFCCBP-OLZOCXBDSA-N	-1	0	304.346	0.228	20	30		DCEDRM
O=C([O-])c1ncoc1COCC(=O)NCC#C[C@@H]1CCCCO1	ZINC001601340920	1168714881	/nfs/dbraw/zinc/71/48/81/1168714881.db2.gz	LZBXZZZFZZGUGX-NSHDSACASA-N	-1	0	322.317	0.578	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC	ZINC001602671130	1169155360	/nfs/dbraw/zinc/15/53/60/1169155360.db2.gz	NMQHVYHUJZEXSN-VIFPVBQESA-N	-1	0	304.302	0.860	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C	ZINC001602670928	1169156205	/nfs/dbraw/zinc/15/62/05/1169156205.db2.gz	LVWMLTGKHJDQJJ-LLVKDONJSA-N	-1	0	317.345	0.917	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001602681541	1169157356	/nfs/dbraw/zinc/15/73/56/1169157356.db2.gz	NLXGALXHIDWSDA-ZDUSSCGKSA-N	-1	0	316.313	0.492	20	30		DCEDRM
C#CC[C@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)C(=O)[O-]	ZINC001602687755	1169158384	/nfs/dbraw/zinc/15/83/84/1169158384.db2.gz	VMDRHZXORAPQLG-ZDUSSCGKSA-N	-1	0	316.313	0.543	20	30		DCEDRM
C#CC[C@H](NC(=O)CNc1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC001602687069	1169158491	/nfs/dbraw/zinc/15/84/91/1169158491.db2.gz	GYFGXWQHGYFXOZ-LBPRGKRZSA-N	-1	0	324.358	0.095	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(=O)[O-]	ZINC001602693312	1169161950	/nfs/dbraw/zinc/16/19/50/1169161950.db2.gz	PEFXPKQWEZNWQE-SNVBAGLBSA-N	-1	0	302.246	0.677	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(=O)[O-]	ZINC001602693600	1169162177	/nfs/dbraw/zinc/16/21/77/1169162177.db2.gz	ZBDNCZQUHHGZBN-VIFPVBQESA-N	-1	0	306.322	0.100	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)C(=O)[O-]	ZINC001602691980	1169162945	/nfs/dbraw/zinc/16/29/45/1169162945.db2.gz	GCJWNMCUBNVQIU-KXNHARMFSA-N	-1	0	322.361	0.692	20	30		DCEDRM
C#CC1CCN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)CC1	ZINC001602696515	1169163055	/nfs/dbraw/zinc/16/30/55/1169163055.db2.gz	JYYAAWRXNBVJOD-UHFFFAOYSA-N	-1	0	323.403	0.962	20	30		DCEDRM
C#CC[C@H](OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C	ZINC001602696586	1169163065	/nfs/dbraw/zinc/16/30/65/1169163065.db2.gz	CIPMUOUQACBWEY-ZJUUUORDSA-N	-1	0	303.326	0.610	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C1	ZINC001602700399	1169164385	/nfs/dbraw/zinc/16/43/85/1169164385.db2.gz	XQVWLBRMCPTEEO-HIFPTAJRSA-N	-1	0	306.362	0.618	20	30		DCEDRM
C#CCC1(O)CCN(CC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)CC1	ZINC001602699320	1169164663	/nfs/dbraw/zinc/16/46/63/1169164663.db2.gz	AVWUGQJPVBDHGA-TZMCWYRMSA-N	-1	0	310.394	0.452	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001602701177	1169165006	/nfs/dbraw/zinc/16/50/06/1169165006.db2.gz	AFTMMUHBEQXROM-SECBINFHSA-N	-1	0	306.322	0.423	20	30		DCEDRM
C#CCN(C(=O)c1cc(C(=O)[O-])ccn1)[C@H]1CCS(=O)(=O)C1	ZINC001602713680	1169168167	/nfs/dbraw/zinc/16/81/67/1169168167.db2.gz	OPONWZCGKPYMBF-NSHDSACASA-N	-1	0	322.342	0.042	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=S)NCCCC(=O)[O-])CC1	ZINC001602719720	1169169886	/nfs/dbraw/zinc/16/98/86/1169169886.db2.gz	BXTLIBKMRXYRKK-UHFFFAOYSA-N	-1	0	311.407	0.187	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001602725747	1169172808	/nfs/dbraw/zinc/17/28/08/1169172808.db2.gz	GSGFOKGTDNAKOF-JQWIXIFHSA-N	-1	0	318.333	0.226	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001602749134	1169177742	/nfs/dbraw/zinc/17/77/42/1169177742.db2.gz	PBDPLCWZILIAPF-UWVGGRQHSA-N	-1	0	316.354	0.408	20	30		DCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC001602750755	1169178958	/nfs/dbraw/zinc/17/89/58/1169178958.db2.gz	XDSPWBOTPABISX-LBPRGKRZSA-N	-1	0	313.375	0.919	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C(=O)[O-]	ZINC001602750095	1169179186	/nfs/dbraw/zinc/17/91/86/1169179186.db2.gz	LVMGTOBPQMOUSZ-PKFCDNJMSA-N	-1	0	312.391	0.976	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCOC)C[C@@H](O)C(F)(F)F	ZINC001602774823	1169182754	/nfs/dbraw/zinc/18/27/54/1169182754.db2.gz	YIFXPLBBONUARA-SECBINFHSA-N	-1	0	313.272	0.806	20	30		DCEDRM
C=C1CN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nnn[n-]3)c2C)C1	ZINC001602776606	1169183512	/nfs/dbraw/zinc/18/35/12/1169183512.db2.gz	DVGXGTOGPUUUJE-UHFFFAOYSA-N	-1	0	314.349	0.915	20	30		DCEDRM
C=C1CCC(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1	ZINC001602791889	1169184608	/nfs/dbraw/zinc/18/46/08/1169184608.db2.gz	DFKGQKCURRPTIK-OLZOCXBDSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)C1	ZINC001602805652	1169185814	/nfs/dbraw/zinc/18/58/14/1169185814.db2.gz	FCFSENDSKVYWTD-VXGBXAGGSA-N	-1	0	320.389	0.980	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@](F)(C(=O)[O-])C2)n1CCOC	ZINC001602821309	1169188204	/nfs/dbraw/zinc/18/82/04/1169188204.db2.gz	ZIBQKVZPDYFHLA-ZANVPECISA-N	-1	0	314.317	0.147	20	30		DCEDRM
C=CCC1(O)CN(C(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)C1	ZINC001602824473	1169188386	/nfs/dbraw/zinc/18/83/86/1169188386.db2.gz	QUYAOZLSANWIDT-UHFFFAOYSA-N	-1	0	316.321	0.039	20	30		DCEDRM
C=CC[C@@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)C(=O)OCC	ZINC001602842191	1169190751	/nfs/dbraw/zinc/19/07/51/1169190751.db2.gz	FZCPGMMNWHFESN-GFCCVEGCSA-N	-1	0	306.318	0.946	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)C1	ZINC001602855622	1169192203	/nfs/dbraw/zinc/19/22/03/1169192203.db2.gz	VUOBVXFNDMRVCR-IAQYHMDHSA-N	-1	0	310.350	0.113	20	30		DCEDRM
C=CCN(CC=C)C(=O)COc1cnc(-c2nnn[n-]2)nc1	ZINC001602850576	1169192982	/nfs/dbraw/zinc/19/29/82/1169192982.db2.gz	QDEDQCFHCKKQNP-UHFFFAOYSA-N	-1	0	301.310	0.236	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC001602857256	1169194691	/nfs/dbraw/zinc/19/46/91/1169194691.db2.gz	OSZAINMSIXECNB-JTQLQIEISA-N	-1	0	324.308	0.906	20	30		DCEDRM
C=CCN(C(=O)C(=O)Nc1cccc(C(=O)[O-])n1)[C@H](C)COC	ZINC001602887174	1169198121	/nfs/dbraw/zinc/19/81/21/1169198121.db2.gz	KIUDYDIVXDIQIB-SNVBAGLBSA-N	-1	0	321.333	0.768	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(C(=O)[O-])ccn1	ZINC001602902042	1169201534	/nfs/dbraw/zinc/20/15/34/1169201534.db2.gz	KXDVUNQGOUTKPE-QMMMGPOBSA-N	-1	0	321.289	0.337	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C(=O)[O-])n1	ZINC001602906864	1169201711	/nfs/dbraw/zinc/20/17/11/1169201711.db2.gz	PXQIRQZWVGHONB-QWRGUYRKSA-N	-1	0	318.333	0.167	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)NCC(C)(C)CC(=O)[O-])C1	ZINC001602906908	1169201992	/nfs/dbraw/zinc/20/19/92/1169201992.db2.gz	RNMJOAQJGVJGQI-NSHDSACASA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=CCN1CCC(NS(=O)(=O)CC(C)(C)C(=O)[O-])CC1	ZINC001602901853	1169202194	/nfs/dbraw/zinc/20/21/94/1169202194.db2.gz	ZHPUPFFSPZSOOT-UHFFFAOYSA-N	-1	0	304.412	0.667	20	30		DCEDRM
C=CCOCC(=O)NC[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001602906673	1169202265	/nfs/dbraw/zinc/20/22/65/1169202265.db2.gz	KHWVPZWNBFIKSS-NSHDSACASA-N	-1	0	320.349	0.320	20	30		DCEDRM
C=CCOCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001602906301	1169202304	/nfs/dbraw/zinc/20/23/04/1169202304.db2.gz	DGLHMQAABPDJTD-GHMZBOCLSA-N	-1	0	310.350	0.065	20	30		DCEDRM
C=CCOCCNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001602920668	1169206537	/nfs/dbraw/zinc/20/65/37/1169206537.db2.gz	QMTLVNNIMNSNEK-JTQLQIEISA-N	-1	0	316.354	0.673	20	30		DCEDRM
C=CCn1c(-c2cccnn2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602929748	1169210397	/nfs/dbraw/zinc/21/03/97/1169210397.db2.gz	BJHGTWIUEAVUSI-SNVBAGLBSA-N	-1	0	300.322	0.832	20	30		DCEDRM
C=CCn1c(-c2nc[nH]c2C)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602930492	1169210583	/nfs/dbraw/zinc/21/05/83/1169210583.db2.gz	VXWZSERJJKLOMY-SNVBAGLBSA-N	-1	0	318.337	0.452	20	30		DCEDRM
C=CCn1c(C)cc(C(=O)CN2CC[C@](O)(C(=O)[O-])C2)c1C	ZINC001602931859	1169211092	/nfs/dbraw/zinc/21/10/92/1169211092.db2.gz	DEYHYXSMPARISC-MRXNPFEDSA-N	-1	0	306.362	0.995	20	30		DCEDRM
C[C@H](C#N)C(=O)N(C)CCCNc1ccc(-c2nn[nH]n2)nc1	ZINC001602981465	1169224854	/nfs/dbraw/zinc/22/48/54/1169224854.db2.gz	FHHADXCVNKKZKM-SNVBAGLBSA-N	-1	0	314.353	0.682	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[nH]n2)C1	ZINC001602983926	1169224933	/nfs/dbraw/zinc/22/49/33/1169224933.db2.gz	OKYNLYJXZVRCFZ-LPEHRKFASA-N	-1	0	312.337	0.480	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC1CC(CNc2ncc(C(=O)[O-])cn2)C1	ZINC001603130340	1169250456	/nfs/dbraw/zinc/25/04/56/1169250456.db2.gz	VCWGTMNWOUHWEJ-SILCLGDVSA-N	-1	0	303.322	0.641	20	30		DCEDRM
C[C@@](C#N)(NC(=O)CN[C@H](C(=O)[O-])c1cccc(O)c1)C1CC1	ZINC001603126879	1169251255	/nfs/dbraw/zinc/25/12/55/1169251255.db2.gz	RGHNKQNOYFSIRP-HOCLYGCPSA-N	-1	0	317.345	0.916	20	30		DCEDRM
C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(C#N)cc1	ZINC001603618408	1169334091	/nfs/dbraw/zinc/33/40/91/1169334091.db2.gz	ZWHDGMGJKOETBB-VIFPVBQESA-N	-1	0	323.320	0.207	20	30		DCEDRM
C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001603831024	1169406478	/nfs/dbraw/zinc/40/64/78/1169406478.db2.gz	SQQLBNIZDHXACL-BQBZGAKWSA-N	-1	0	314.309	0.405	20	30		DCEDRM
CC(C)Cn1cccc(C(=O)N(CC#N)CCC(=O)[O-])c1=O	ZINC001603858772	1169415602	/nfs/dbraw/zinc/41/56/02/1169415602.db2.gz	FJSTYXIJYRVTPV-UHFFFAOYSA-N	-1	0	305.334	0.945	20	30		DCEDRM
C[C@H](CC#N)NC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001604059778	1169482512	/nfs/dbraw/zinc/48/25/12/1169482512.db2.gz	IWSGRAARBCTGSI-SECBINFHSA-N	-1	0	304.306	0.925	20	30		DCEDRM
CCCCC[C@H](O)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001604171697	1169512589	/nfs/dbraw/zinc/51/25/89/1169512589.db2.gz	KPFKWSWZHPMRQI-QMMMGPOBSA-N	-1	0	304.314	0.341	20	30		DCEDRM
C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)C(=O)[O-]	ZINC001604192236	1169520304	/nfs/dbraw/zinc/52/03/04/1169520304.db2.gz	XCMPSGFOFZBDEQ-SSDOTTSWSA-N	-1	0	313.291	0.465	20	30		DCEDRM
C[C@](CO)(NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC001604193172	1169520847	/nfs/dbraw/zinc/52/08/47/1169520847.db2.gz	GDUKBEWQVUVRRC-LLVKDONJSA-N	-1	0	317.223	0.537	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC001604498328	1169604730	/nfs/dbraw/zinc/60/47/30/1169604730.db2.gz	SPFLWHCJRUOMTN-LLNWESEBSA-N	-1	0	321.333	0.226	20	30		DCEDRM
CC1(C)[C@@H](O)CCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001604509063	1169607824	/nfs/dbraw/zinc/60/78/24/1169607824.db2.gz	PAMLPPFBFQRAOC-LBPRGKRZSA-N	-1	0	324.358	0.790	20	30		DCEDRM
COC[C@H](C)[C@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001605049861	1169795676	/nfs/dbraw/zinc/79/56/76/1169795676.db2.gz	XGRDDXLTSAVDKJ-BQBZGAKWSA-N	-1	0	304.314	0.319	20	30		DCEDRM
CC[C@@]1(C)CC(=O)N(CN2CCC(C#N)(C(=O)[O-])CC2)C1=O	ZINC001605134731	1169838446	/nfs/dbraw/zinc/83/84/46/1169838446.db2.gz	CXRJAORRFRZAMP-AWEZNQCLSA-N	-1	0	307.350	0.809	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NC1=NO[C@@H](C)C1	ZINC001605506691	1169941546	/nfs/dbraw/zinc/94/15/46/1169941546.db2.gz	LWHIIYZFMRLSHP-LURJTMIESA-N	-1	0	303.282	0.128	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cnn(C)c2Cl)o1	ZINC001606019887	1170052666	/nfs/dbraw/zinc/05/26/66/1170052666.db2.gz	NNAVILPAJYZQQW-UHFFFAOYSA-N	-1	0	307.705	0.996	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1	ZINC001606044082	1170063775	/nfs/dbraw/zinc/06/37/75/1170063775.db2.gz	ZDTJJXLLCADUCG-OLZOCXBDSA-N	-1	0	303.318	0.284	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(C#N)c(Cl)c1	ZINC001606323032	1170158710	/nfs/dbraw/zinc/15/87/10/1170158710.db2.gz	FAOPEOQRFMQVRJ-JTQLQIEISA-N	-1	0	310.693	0.958	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)nc1-c1nnn[n-]1	ZINC001606398067	1170183641	/nfs/dbraw/zinc/18/36/41/1170183641.db2.gz	KJQLWZXNSZKIQM-FQHRDTEGSA-N	-1	0	310.321	0.364	20	30		DCEDRM
N#Cc1ncc(N[C@H](CO)c2ccccc2)nc1-c1nnn[n-]1	ZINC001606398193	1170184141	/nfs/dbraw/zinc/18/41/41/1170184141.db2.gz	PXLAUXPHFHOTLO-LLVKDONJSA-N	-1	0	308.305	0.674	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2cc(C#N)[nH]c2C)C[C@@H]1C(=O)[O-]	ZINC001606418969	1170192940	/nfs/dbraw/zinc/19/29/40/1170192940.db2.gz	CLKWNMAPZPUXON-QWRGUYRKSA-N	-1	0	305.290	0.141	20	30		DCEDRM
COC(=O)CC[C@@H](NC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC001606457988	1170213589	/nfs/dbraw/zinc/21/35/89/1170213589.db2.gz	CYSSZSRBCWJUMW-GFCCVEGCSA-N	-1	0	320.301	0.460	20	30		DCEDRM
COCCOCCCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001606903248	1170327199	/nfs/dbraw/zinc/32/71/99/1170327199.db2.gz	GHEBFNHEEWYXKX-UHFFFAOYSA-N	-1	0	313.354	0.439	20	30		DCEDRM
Cc1ccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1C#N	ZINC001607781320	1170505996	/nfs/dbraw/zinc/50/59/96/1170505996.db2.gz	OWVKJAPOOVINKL-LBPRGKRZSA-N	-1	0	315.329	0.416	20	30		DCEDRM
Cc1ncc(CO)c(/C=N\C[C@H]2[C@@H](C(=O)[O-])C2(F)F)c1O	ZINC001607979691	1170537338	/nfs/dbraw/zinc/53/73/38/1170537338.db2.gz	GAWAOMIPJMTQPT-KFSKNZGMSA-N	-1	0	300.261	0.973	20	30		DCEDRM
Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1cccc(C#N)n1	ZINC001608004402	1170545247	/nfs/dbraw/zinc/54/52/47/1170545247.db2.gz	KIYIDHPNGDOBKK-UHFFFAOYSA-N	-1	0	313.317	0.781	20	30		DCEDRM
Cn1cc(C#N)c(=O)n(Cc2cccc(C(=O)[O-])c2C#N)c1=O	ZINC001608093722	1170569678	/nfs/dbraw/zinc/56/96/78/1170569678.db2.gz	REQUULMIKPNXCZ-UHFFFAOYSA-N	-1	0	310.269	0.037	20	30		DCEDRM
N#CCCCCNC(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001608180390	1170610398	/nfs/dbraw/zinc/61/03/98/1170610398.db2.gz	MTUXKTVXWPXQIL-LBPRGKRZSA-N	-1	0	309.366	0.900	20	30		DCEDRM
N#CC1(CC(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])CCOCC1	ZINC001608176488	1170610415	/nfs/dbraw/zinc/61/04/15/1170610415.db2.gz	ZNTSGZQULFQBTP-RYUDHWBXSA-N	-1	0	310.350	0.835	20	30		DCEDRM
N#C[C@@]1(c2ccccn2)CCCN(CCC(=O)NCC(=O)[O-])C1	ZINC001608177361	1170610775	/nfs/dbraw/zinc/61/07/75/1170610775.db2.gz	UYYPIFWXFSCEQX-INIZCTEOSA-N	-1	0	316.361	0.530	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC001608183688	1170611428	/nfs/dbraw/zinc/61/14/28/1170611428.db2.gz	JQDBXNNRFGZYFL-UHFFFAOYSA-N	-1	0	311.294	0.437	20	30		DCEDRM
N#CCNC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1	ZINC001608187979	1170612690	/nfs/dbraw/zinc/61/26/90/1170612690.db2.gz	IAQJIVNJMBALDK-UHFFFAOYSA-N	-1	0	300.274	0.046	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1	ZINC001608199975	1170613587	/nfs/dbraw/zinc/61/35/87/1170613587.db2.gz	ALADXRNQYXMQKH-IMRBUKKESA-N	-1	0	313.313	0.077	20	30		DCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])c1	ZINC001608196534	1170613757	/nfs/dbraw/zinc/61/37/57/1170613757.db2.gz	AJCNDGLDLBJKMA-JTQLQIEISA-N	-1	0	304.274	0.788	20	30		DCEDRM
N#Cc1c(NC(=O)c2ccc(C(=O)[O-])o2)nc2n1CCOC2	ZINC001608195079	1170613774	/nfs/dbraw/zinc/61/37/74/1170613774.db2.gz	FWTNSPIMYWDEEF-UHFFFAOYSA-N	-1	0	302.246	0.828	20	30		DCEDRM
N#Cc1cccc(CNC(=O)Cn2nc(C(=O)[O-])nc2Cl)c1	ZINC001608217353	1170617151	/nfs/dbraw/zinc/61/71/51/1170617151.db2.gz	AALJIXKHVHWALF-UHFFFAOYSA-N	-1	0	319.708	0.818	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@H](CC2CCOCC2)C(=O)[O-])n1	ZINC001608214497	1170617286	/nfs/dbraw/zinc/61/72/86/1170617286.db2.gz	BLRFXPBUNCMESC-CYBMUJFWSA-N	-1	0	303.318	0.953	20	30		DCEDRM
N#Cc1ccnc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c1	ZINC001608220583	1170618146	/nfs/dbraw/zinc/61/81/46/1170618146.db2.gz	FURIRUKXEQGCSM-GFCCVEGCSA-N	-1	0	309.347	0.027	20	30		DCEDRM
N#Cc1cnc(N(CCN2CCOCC2)CC(=O)[O-])c(Cl)c1	ZINC001608222680	1170618234	/nfs/dbraw/zinc/61/82/34/1170618234.db2.gz	HMNLJWDKQHYHRI-UHFFFAOYSA-N	-1	0	324.768	0.830	20	30		DCEDRM
O=C([O-])[C@H]1CCC(=NN=C2NS(=O)(=O)c3ccccc32)C1	ZINC001608617068	1170722941	/nfs/dbraw/zinc/72/29/41/1170722941.db2.gz	VBZQHHMOJAKBTH-QMMMGPOBSA-N	-1	0	307.331	0.966	20	30		DCEDRM
C#C[C@@H](C)NC(=O)COc1ccc(-c2nn[nH]n2)cc1OC	ZINC001609018775	1170785633	/nfs/dbraw/zinc/78/56/33/1170785633.db2.gz	GBXLTBRDHMQEKH-SECBINFHSA-N	-1	0	301.306	0.392	20	30		DCEDRM
C#CC1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])CC1	ZINC001609058112	1170794444	/nfs/dbraw/zinc/79/44/44/1170794444.db2.gz	PLEFNSSMBCSPFP-UHFFFAOYSA-N	-1	0	308.359	0.882	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001609057885	1170794829	/nfs/dbraw/zinc/79/48/29/1170794829.db2.gz	IQILHMHVSLCSSJ-WOPDTQHZSA-N	-1	0	301.364	0.294	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)C(=O)[O-]	ZINC001609076209	1170800793	/nfs/dbraw/zinc/80/07/93/1170800793.db2.gz	FNVCBTPOWORCDL-SFYZADRCSA-N	-1	0	306.240	0.132	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cn(-c2ccc(F)cc2C)nn1)C(=O)[O-]	ZINC001609089260	1170803840	/nfs/dbraw/zinc/80/38/40/1170803840.db2.gz	JLYFTMAAGLERIY-NSHDSACASA-N	-1	0	316.292	0.921	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC001609104979	1170809922	/nfs/dbraw/zinc/80/99/22/1170809922.db2.gz	BARJLPYCNWHBOF-CYBMUJFWSA-N	-1	0	320.345	0.724	20	30		DCEDRM
C#CC[C@H]1NC(=O)N(CCOc2ccc(C(=O)[O-])cc2)C1=O	ZINC001609105219	1170811276	/nfs/dbraw/zinc/81/12/76/1170811276.db2.gz	OWTJTGXQXRQMJJ-GFCCVEGCSA-N	-1	0	302.286	0.707	20	30		DCEDRM
C[C@@]1(C#N)CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1	ZINC001609141992	1170824689	/nfs/dbraw/zinc/82/46/89/1170824689.db2.gz	IRMWJUCHEQWRDO-LBPRGKRZSA-N	-1	0	322.350	0.774	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001609225975	1170877943	/nfs/dbraw/zinc/87/79/43/1170877943.db2.gz	DJAFRNFORDKLQC-DYEKYZERSA-N	-1	0	312.366	0.853	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001609257416	1170901310	/nfs/dbraw/zinc/90/13/10/1170901310.db2.gz	CBIJTHOVUSSISA-SECBINFHSA-N	-1	0	300.340	0.129	20	30		DCEDRM
C=C[C@@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)C(=O)OC	ZINC001609272016	1170905938	/nfs/dbraw/zinc/90/59/38/1170905938.db2.gz	GLPYEOIMVBXKCD-NXEZZACHSA-N	-1	0	324.358	0.869	20	30		DCEDRM
COC(=O)c1cccc(Cn2cnc(-c3nnn[n-]3)n2)c1C#N	ZINC001609306201	1170924478	/nfs/dbraw/zinc/92/44/78/1170924478.db2.gz	YNIGYORHBHQHBB-UHFFFAOYSA-N	-1	0	310.277	0.165	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN[C@@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC001609398971	1170967554	/nfs/dbraw/zinc/96/75/54/1170967554.db2.gz	ULZQVZMLUCLAON-CYBMUJFWSA-N	-1	0	323.324	0.861	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(=O)OC	ZINC001609443092	1170978233	/nfs/dbraw/zinc/97/82/33/1170978233.db2.gz	RFQBTBQHXZCCNW-LBPRGKRZSA-N	-1	0	307.302	0.859	20	30		DCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001609631041	1171055791	/nfs/dbraw/zinc/05/57/91/1171055791.db2.gz	NFRUXAFVTCLJGO-ZETCQYMHSA-N	-1	0	313.291	0.731	20	30		DCEDRM
C[C@H](C#N)Oc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	ZINC001609631933	1171056502	/nfs/dbraw/zinc/05/65/02/1171056502.db2.gz	VMSGKXJNDRNGIF-RISCZKNCSA-N	-1	0	317.345	0.753	20	30		DCEDRM
C[C@H](OC(=O)C1(c2cccc(C#N)c2)CC1)C(=O)NCC(=O)[O-]	ZINC001609789111	1171086547	/nfs/dbraw/zinc/08/65/47/1171086547.db2.gz	GGMYXQMQCTUIPU-JTQLQIEISA-N	-1	0	316.313	0.722	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC001609811499	1171092023	/nfs/dbraw/zinc/09/20/23/1171092023.db2.gz	IZMKBVXBMMINEK-AWEZNQCLSA-N	-1	0	302.290	0.215	20	30		DCEDRM
C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[C@H](F)C(=O)[O-])C1=O	ZINC001609826331	1171095793	/nfs/dbraw/zinc/09/57/93/1171095793.db2.gz	HVMVLMFSHJKMCJ-IINYFYTJSA-N	-1	0	305.265	0.748	20	30		DCEDRM
CCC(CC)(C(=O)[O-])C(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1	ZINC001609914811	1171120581	/nfs/dbraw/zinc/12/05/81/1171120581.db2.gz	WRKVKWYHNHPWAE-SECBINFHSA-N	-1	0	322.321	0.714	20	30		DCEDRM
CCc1ccc(C#CC(=O)N[C@@H](CC(=O)[O-])C(=O)OC)cc1	ZINC001610060133	1171148011	/nfs/dbraw/zinc/14/80/11/1171148011.db2.gz	BNKSHVQUONJCNI-ZDUSSCGKSA-N	-1	0	303.314	0.733	20	30		DCEDRM
COC(=O)[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCO1	ZINC001610178676	1171188343	/nfs/dbraw/zinc/18/83/43/1171188343.db2.gz	NCWGSXKVNQEPDB-ZDUSSCGKSA-N	-1	0	304.302	0.630	20	30		DCEDRM
Cc1cc(C#N)c(=O)n(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c1	ZINC001610433491	1171235644	/nfs/dbraw/zinc/23/56/44/1171235644.db2.gz	XXHCJGABOCRDDE-GFCCVEGCSA-N	-1	0	305.334	0.644	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)nn1CCC#N	ZINC001610471078	1171240381	/nfs/dbraw/zinc/24/03/81/1171240381.db2.gz	MCMAQGDJUCLYIL-UHFFFAOYSA-N	-1	0	319.321	0.025	20	30		DCEDRM
N#Cc1cnn2cc(CN3CCC([C@@H](O)C(=O)[O-])CC3)cnc12	ZINC001610634302	1171273523	/nfs/dbraw/zinc/27/35/23/1171273523.db2.gz	VVURVTKMJQYZTA-CYBMUJFWSA-N	-1	0	315.333	0.258	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)c2cncc(C(=O)[O-])c2)c1N	ZINC001610634329	1171273636	/nfs/dbraw/zinc/27/36/36/1171273636.db2.gz	XAQABMHCZLAIPE-UHFFFAOYSA-N	-1	0	301.262	0.287	20	30		DCEDRM
N#Cc1nc(F)ccc1OCC(=O)N1CCC(C(=O)[O-])CC1	ZINC001610634123	1171273690	/nfs/dbraw/zinc/27/36/90/1171273690.db2.gz	LMELRXBDONVMBD-UHFFFAOYSA-N	-1	0	307.281	0.794	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001610634021	1171273848	/nfs/dbraw/zinc/27/38/48/1171273848.db2.gz	ZYGHSNTVDUXADX-GFCCVEGCSA-N	-1	0	323.374	0.716	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cccc3[nH]ccc32)c(=O)[n-]c1=O	ZINC001611163441	1171352156	/nfs/dbraw/zinc/35/21/56/1171352156.db2.gz	HVBIFQWUGJYDHD-UHFFFAOYSA-N	-1	0	309.285	0.941	20	30		DCEDRM
C=CCO[N-]C(=O)CNC(=O)c1cnc2ccccc2c1O	ZINC001627703962	1171510647	/nfs/dbraw/zinc/51/06/47/1171510647.db2.gz	YAXRTXUZTZEDHA-UHFFFAOYSA-N	-1	0	301.302	0.492	20	30		DCEDRM
C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1noc(C)n1)C(=O)OCC	ZINC001671199905	1171926136	/nfs/dbraw/zinc/92/61/36/1171926136.db2.gz	XIQFLNASIUCAIM-SNVBAGLBSA-N	-1	0	317.367	0.695	20	30		DCEDRM
CN(CC1(C)COC1)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C	ZINC001646669789	1172462495	/nfs/dbraw/zinc/46/24/95/1172462495.db2.gz	CJEPHRRRCPZUHN-UHFFFAOYSA-N	-1	0	314.349	0.927	20	30		DCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1	ZINC001647150720	1172703932	/nfs/dbraw/zinc/70/39/32/1172703932.db2.gz	HIQPMQODRFWNNR-JTQLQIEISA-N	-1	0	322.350	0.250	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC(OC(C)(C)C)CC2)c(C#N)c1=O	ZINC001647631444	1173007199	/nfs/dbraw/zinc/00/71/99/1173007199.db2.gz	QODRSRKFHADSEQ-UHFFFAOYSA-N	-1	0	306.366	0.729	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@H](CCO)C(F)(F)F	ZINC001649986007	1173360502	/nfs/dbraw/zinc/36/05/02/1173360502.db2.gz	FPDDKIVPWDWNMW-RKDXNWHRSA-N	-1	0	317.333	0.616	20	30		DCEDRM
CC1(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCCC1	ZINC001650221265	1173521892	/nfs/dbraw/zinc/52/18/92/1173521892.db2.gz	BPDTXUCMAJWPQS-UHFFFAOYSA-N	-1	0	302.334	0.784	20	30		DCEDRM
COc1cc(C)cc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001650230329	1173526055	/nfs/dbraw/zinc/52/60/55/1173526055.db2.gz	ZCGOPYVQRMJYPV-UHFFFAOYSA-N	-1	0	300.318	0.874	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001684298543	1175996991	/nfs/dbraw/zinc/99/69/91/1175996991.db2.gz	AZKXAZZDZYLYKG-VXGBXAGGSA-N	-1	0	321.381	0.828	20	30		DCEDRM
C=C/C=C/CCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001685038771	1176010097	/nfs/dbraw/zinc/01/00/97/1176010097.db2.gz	KQQYFCVURSXCGQ-ONEGZZNKSA-N	-1	0	303.322	0.252	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@@H](CC)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001688765209	1176614367	/nfs/dbraw/zinc/61/43/67/1176614367.db2.gz	BDIVGGOUMGYOQG-MRVPVSSYSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001689521829	1176927031	/nfs/dbraw/zinc/92/70/31/1176927031.db2.gz	UKVFFBBXNYNRIE-LLVKDONJSA-N	-1	0	304.350	0.558	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCN(C(=O)C#CC(C)C)CC2)c1[O-]	ZINC001703070295	1179269531	/nfs/dbraw/zinc/26/95/31/1179269531.db2.gz	VEQWIDWCIYBGDV-UHFFFAOYSA-N	-1	0	304.350	0.368	20	30		DCEDRM
C=CCCC(=O)N1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001704539328	1180050070	/nfs/dbraw/zinc/05/00/70/1180050070.db2.gz	UKKUHWUVSCDTCL-UHFFFAOYSA-N	-1	0	316.317	0.835	20	30		DCEDRM
C#CCCCCC(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001705259103	1180324078	/nfs/dbraw/zinc/32/40/78/1180324078.db2.gz	XFZLGMXMAIXLAN-UHFFFAOYSA-N	-1	0	318.377	0.996	20	30		DCEDRM
C=CCCCN1CC2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])CCO2	ZINC001717218827	1182735425	/nfs/dbraw/zinc/73/54/25/1182735425.db2.gz	XGOCYHKTQVTSLP-UHFFFAOYSA-N	-1	0	320.393	0.917	20	30		DCEDRM
C#CCN(C(=O)[C@@H](C)CC)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001724038344	1184372150	/nfs/dbraw/zinc/37/21/50/1184372150.db2.gz	WCOPWMQQLWMXHT-LBPRGKRZSA-N	-1	0	319.409	0.983	20	30		DCEDRM
C[C@H](NC(=O)C#CC(C)(C)C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001734113854	1186549926	/nfs/dbraw/zinc/54/99/26/1186549926.db2.gz	FLJZDGVXJMINHK-JTQLQIEISA-N	-1	0	305.382	0.496	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C	ZINC001736258818	1186988039	/nfs/dbraw/zinc/98/80/39/1186988039.db2.gz	IYUAQAZBRCTMLT-MNOVXSKESA-N	-1	0	322.365	0.346	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)C#CC(C)(C)C)C1	ZINC001752990262	1188473249	/nfs/dbraw/zinc/47/32/49/1188473249.db2.gz	DLROFQPPYSTEON-GFCCVEGCSA-N	-1	0	319.409	0.983	20	30		DCEDRM
CN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@@H](CNCC#N)C1CC1	ZINC001755569564	1189149940	/nfs/dbraw/zinc/14/99/40/1189149940.db2.gz	XPBFUAYAACRDEL-NSHDSACASA-N	-1	0	315.333	0.892	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001758671578	1189954422	/nfs/dbraw/zinc/95/44/22/1189954422.db2.gz	PEZHZTCQCWZLEG-XYPYZODXSA-N	-1	0	304.350	0.604	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC([C@@H]3CCCO3)CC2)c(C#N)c1=O	ZINC001772116947	1190611286	/nfs/dbraw/zinc/61/12/86/1190611286.db2.gz	FWVOCQFMNCFVBZ-LBPRGKRZSA-N	-1	0	304.350	0.341	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNc2ccc(C#N)nn2)c1[O-]	ZINC001107125870	751876767	/nfs/dbraw/zinc/87/67/67/751876767.db2.gz	DZJDBGMDOYNICP-IHWYPQMZSA-N	-1	0	313.321	0.484	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCN(C)c2cncc(C#N)n2)c1[O-]	ZINC001105369361	748570545	/nfs/dbraw/zinc/57/05/45/748570545.db2.gz	ZGUWVRWNLXULMN-UHFFFAOYSA-N	-1	0	315.337	0.294	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)c1[O-]	ZINC001059603703	749373784	/nfs/dbraw/zinc/37/37/84/749373784.db2.gz	ABBGARFYHHGNQN-DTORHVGOSA-N	-1	0	313.321	0.458	20	30		DCEDRM
C=CC1(CC(=O)N(C)c2nnn[n-]2)CN(C(=O)OC(C)(C)C)C1	ZINC001168359060	749973724	/nfs/dbraw/zinc/97/37/24/749973724.db2.gz	NKSAKBYIYXLLFA-UHFFFAOYSA-N	-1	0	322.369	0.976	20	30		DCEDRM
C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001061502889	753985845	/nfs/dbraw/zinc/98/58/45/753985845.db2.gz	IDHCYLRXNMZZGE-NSHDSACASA-N	-1	0	322.365	0.347	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)c1[O-]	ZINC001072035837	762311951	/nfs/dbraw/zinc/31/19/51/762311951.db2.gz	QLZBGKRVLWLREI-PWSUYJOCSA-N	-1	0	318.377	0.660	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)c2ccc(C#N)cn2)c1[O-]	ZINC001113552980	762377520	/nfs/dbraw/zinc/37/75/20/762377520.db2.gz	CGJIVUZUTROOTC-SECBINFHSA-N	-1	0	314.349	0.945	20	30		DCEDRM
C#CCCN1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CC1	ZINC000820357899	758138062	/nfs/dbraw/zinc/13/80/62/758138062.db2.gz	JTIXZGBMQRDVGU-UHFFFAOYSA-N	-1	0	318.421	0.542	20	30		DCEDRM
CCOC(=O)[C@H](C#N)Nc1ccc2[n-]c(C(=O)OC)nc2n1	ZINC001170371005	762621423	/nfs/dbraw/zinc/62/14/23/762621423.db2.gz	OHEKBPKWQPARRQ-QMMMGPOBSA-N	-1	0	303.278	0.612	20	30		DCEDRM
CC#CCN1CC[C@@H]1CN(C)C(=O)c1c[n-]n2c1nccc2=O	ZINC001085860964	759399129	/nfs/dbraw/zinc/39/91/29/759399129.db2.gz	MDXVSGHMICHGEX-GFCCVEGCSA-N	-1	0	313.361	0.192	20	30		DCEDRM
N#CC(=C([O-])c1ccnc(N2CCOCC2)n1)c1ccncn1	ZINC001122737211	767865602	/nfs/dbraw/zinc/86/56/02/767865602.db2.gz	YUPCFQNIGCMQCC-NSHDSACASA-N	-1	0	310.317	0.593	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001070620458	761355255	/nfs/dbraw/zinc/35/52/55/761355255.db2.gz	MQXXDEJGSUJLJG-WCBMZHEXSA-N	-1	0	305.338	0.304	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C)c2ccc(C#N)c(C)n2)c1[O-]	ZINC001100014783	763218241	/nfs/dbraw/zinc/21/82/41/763218241.db2.gz	XUYIWFLVAYPQAQ-UHFFFAOYSA-N	-1	0	314.349	0.865	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C)c2ccc(C#N)cn2)c1[O-]	ZINC001100014537	763218683	/nfs/dbraw/zinc/21/86/83/763218683.db2.gz	OMXYQBYDPGXITH-UHFFFAOYSA-N	-1	0	300.322	0.557	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCNc2cnc(C#N)cn2)c1[O-]	ZINC001101555453	764152891	/nfs/dbraw/zinc/15/28/91/764152891.db2.gz	SPORHZWPSPLRCE-UHFFFAOYSA-N	-1	0	301.310	0.270	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C1	ZINC001118134512	766233402	/nfs/dbraw/zinc/23/34/02/766233402.db2.gz	SPTCUPXSFPLEJS-WDEREUQCSA-N	-1	0	304.368	0.057	20	30		DCEDRM
CC(C)(CCNC(=O)C(=O)Nc1ccn(CCC#N)n1)C(=O)[O-]	ZINC001118147202	766236107	/nfs/dbraw/zinc/23/61/07/766236107.db2.gz	DTLOAHYOEAHTHC-UHFFFAOYSA-N	-1	0	321.337	0.352	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1	ZINC001118482733	766328579	/nfs/dbraw/zinc/32/85/79/766328579.db2.gz	JUZOJVLVJCDHSR-UHFFFAOYSA-N	-1	0	300.380	0.247	20	30		DCEDRM
C=CCOC(=O)[C@@H](N)CCCCNc1cncc(C(=O)[O-])n1	ZINC001171067491	766606349	/nfs/dbraw/zinc/60/63/49/766606349.db2.gz	HGESYWXEKFLPEC-JTQLQIEISA-N	-1	0	308.338	0.814	20	30		DCEDRM
C[C@@H](CN(C)C(=O)c1cnc[nH]c1=O)Nc1cncc(C#N)n1	ZINC001120252321	766948528	/nfs/dbraw/zinc/94/85/28/766948528.db2.gz	MBUFZDWDBJIVHR-VIFPVBQESA-N	-1	0	313.321	0.416	20	30		DCEDRM
N#Cc1c(Br)nccc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001234420863	769650639	/nfs/dbraw/zinc/65/06/39/769650639.db2.gz	CNKXYBIXQIVMNR-LURJTMIESA-N	-1	0	315.079	0.457	20	30		DCEDRM
C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)[N-]Oc1cccc(C#N)c1	ZINC001171255217	767302145	/nfs/dbraw/zinc/30/21/45/767302145.db2.gz	CKGMBMYKEQFSJW-RNCFNFMXSA-N	-1	0	303.318	0.244	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])C1	ZINC001121921476	767669372	/nfs/dbraw/zinc/66/93/72/767669372.db2.gz	RGWAVGYHRSLKBN-GFCCVEGCSA-N	-1	0	300.355	0.712	20	30		DCEDRM
COCC#CC(=O)N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1	ZINC001138098499	768397322	/nfs/dbraw/zinc/39/73/22/768397322.db2.gz	SYNYCBWHOFVUEY-LBPRGKRZSA-N	-1	0	323.715	0.848	20	30		DCEDRM
COC(=O)c1ccc(OC(=O)[C@H](O)CCC(=O)[O-])c(C#N)c1	ZINC001233629317	769414189	/nfs/dbraw/zinc/41/41/89/769414189.db2.gz	XPGYMNATAUMTOO-SNVBAGLBSA-N	-1	0	307.258	0.476	20	30		DCEDRM
N#C[C@H]1COCCN1C(=O)c1sc(C(=O)[O-])c2c1OCCO2	ZINC001152705099	769625581	/nfs/dbraw/zinc/62/55/81/769625581.db2.gz	XIZXYBQCAGNNCM-ZETCQYMHSA-N	-1	0	324.314	0.582	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1	ZINC001153032763	769700088	/nfs/dbraw/zinc/70/00/88/769700088.db2.gz	LPHYUZVKYKKEIF-NSHDSACASA-N	-1	0	323.374	0.076	20	30		DCEDRM
C=CCOC(=O)[C@@H](N)CCCC[N-]S(=O)(=O)C(F)(F)F	ZINC001238668179	770125031	/nfs/dbraw/zinc/12/50/31/770125031.db2.gz	TXEHBLMNTPJNFN-QMMMGPOBSA-N	-1	0	318.317	0.652	20	30		DCEDRM
N#Cc1csc(CNC(=O)c2c[n-]n3c2nccc3=O)n1	ZINC001179371249	771000047	/nfs/dbraw/zinc/00/00/47/771000047.db2.gz	HZQRCINFBDWFRQ-UHFFFAOYSA-N	-1	0	300.303	0.281	20	30		DCEDRM
COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)C#N)cc1	ZINC001179894235	771028944	/nfs/dbraw/zinc/02/89/44/771028944.db2.gz	KBKYLJHVFLZYMK-QMMMGPOBSA-N	-1	0	311.319	0.829	20	30		DCEDRM
N#Cc1ccccc1N1CCC(C(=O)NCS(=O)(=O)[O-])CC1	ZINC001180506672	771130091	/nfs/dbraw/zinc/13/00/91/771130091.db2.gz	WZYHDHVKIXXAKF-UHFFFAOYSA-N	-1	0	323.374	0.736	20	30		DCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)Cc1ccc(F)c(C#N)c1	ZINC001181195281	771246651	/nfs/dbraw/zinc/24/66/51/771246651.db2.gz	CUMGIQOCBMONJM-LBPRGKRZSA-N	-1	0	322.292	0.762	20	30		DCEDRM
C#CC(C)(C)C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1	ZINC001182638528	771519852	/nfs/dbraw/zinc/51/98/52/771519852.db2.gz	YATNCVZVIAYANQ-UHFFFAOYSA-N	-1	0	322.386	0.903	20	30		DCEDRM
COC(=O)[C@H](CS)[N-]C(=O)C(F)(F)OCC(F)(F)F	ZINC001183195455	771618116	/nfs/dbraw/zinc/61/81/16/771618116.db2.gz	YGKQNZNIHROLHN-BYPYZUCNSA-N	-1	0	311.228	0.746	20	30		DCEDRM
N#CC1(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCCC1	ZINC001185621494	771942408	/nfs/dbraw/zinc/94/24/08/771942408.db2.gz	YSHQXXQESRLQQT-UHFFFAOYSA-N	-1	0	318.362	0.981	20	30		DCEDRM
Cn1c(NCc2cccc(Cl)c2[O-])c(C#N)c(=O)n(C)c1=O	ZINC001187861636	772236700	/nfs/dbraw/zinc/23/67/00/772236700.db2.gz	NGATUBYKDHDUQU-UHFFFAOYSA-N	-1	0	320.736	0.927	20	30		DCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1ccc(F)c(OC)n1	ZINC001190064078	772580592	/nfs/dbraw/zinc/58/05/92/772580592.db2.gz	YZOZGHVMIHEODY-UHFFFAOYSA-N	-1	0	308.294	0.801	20	30		DCEDRM
Cc1ccccc1-c1nc(Cn2c(=O)[n-]cc(C#N)c2=O)no1	ZINC001166382988	772806329	/nfs/dbraw/zinc/80/63/29/772806329.db2.gz	ICFCSOBZJQUQIF-UHFFFAOYSA-N	-1	0	309.285	0.815	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1	ZINC001191868684	772836865	/nfs/dbraw/zinc/83/68/65/772836865.db2.gz	XXYDOBDGGHJRFR-CHWSQXEVSA-N	-1	0	321.425	0.743	20	30		DCEDRM
CCOC(=O)[C@H](C#N)NC(=O)c1cc(C(=O)OC)ccc1[O-]	ZINC001192399618	772918916	/nfs/dbraw/zinc/91/89/16/772918916.db2.gz	CRTWYQVWBMFHKM-JTQLQIEISA-N	-1	0	306.274	0.364	20	30		DCEDRM
CCOc1ccc(S(=O)(=O)N2CC(C#N)C2)cc1C(=O)[O-]	ZINC001192607549	772941069	/nfs/dbraw/zinc/94/10/69/772941069.db2.gz	KCCPXZFVMITTJT-UHFFFAOYSA-N	-1	0	310.331	0.928	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1ncnn2cc(Br)cc12	ZINC001192950934	772977253	/nfs/dbraw/zinc/97/72/53/772977253.db2.gz	FJABBMCADBGTDU-UHFFFAOYSA-N	-1	0	316.140	0.179	20	30		DCEDRM
CCS(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)CC#N)c1	ZINC001192972025	772989515	/nfs/dbraw/zinc/98/95/15/772989515.db2.gz	FVXMVDPJVVYDBL-UHFFFAOYSA-N	-1	0	318.376	0.754	20	30		DCEDRM
COC(=O)c1cc(O)c(OC)cc1[N-]S(=O)(=O)CC#N	ZINC001192978944	772991633	/nfs/dbraw/zinc/99/16/33/772991633.db2.gz	PWKLAHNQHVIUHP-UHFFFAOYSA-N	-1	0	300.292	0.453	20	30		DCEDRM
COC(=O)[C@H]([N-]S(=O)(=O)[C@H](C)C#N)c1ccccc1OC	ZINC001193193838	773022355	/nfs/dbraw/zinc/02/23/55/773022355.db2.gz	OUOLQPXGBWSAMT-BXKDBHETSA-N	-1	0	312.347	0.741	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001194397531	773186185	/nfs/dbraw/zinc/18/61/85/773186185.db2.gz	WQEIZMHUZQQTQV-QWRGUYRKSA-N	-1	0	309.370	0.134	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001198343401	773904095	/nfs/dbraw/zinc/90/40/95/773904095.db2.gz	JQRPYJAEOLTGJL-NSHDSACASA-N	-1	0	309.370	0.136	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2ccccc2C(=O)[O-])CCC1=O	ZINC001198762286	773977007	/nfs/dbraw/zinc/97/70/07/773977007.db2.gz	DHWUWOOQRGMICD-VIFPVBQESA-N	-1	0	308.315	0.488	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)[nH]1	ZINC001199680348	774174196	/nfs/dbraw/zinc/17/41/96/774174196.db2.gz	HLDDTPCGDCXEBF-UHFFFAOYSA-N	-1	0	316.298	0.571	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)cc1C#N	ZINC001201324477	774487538	/nfs/dbraw/zinc/48/75/38/774487538.db2.gz	CGMCALMFZFESIY-JTQLQIEISA-N	-1	0	311.344	0.454	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCC1OCCCO1	ZINC001224727329	775600053	/nfs/dbraw/zinc/60/00/53/775600053.db2.gz	AQUKCUFNLBMWMO-NSHDSACASA-N	-1	0	310.368	0.615	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@H]1CCN(C(C)=O)C1	ZINC001225016330	775631537	/nfs/dbraw/zinc/63/15/37/775631537.db2.gz	YBIZDTVUDWXMFS-STQMWFEESA-N	-1	0	321.395	0.330	20	30		DCEDRM
C#C[C@@H](Oc1n[n-]c(=O)cc1Br)C(=O)OCC	ZINC001226849497	775884889	/nfs/dbraw/zinc/88/48/89/775884889.db2.gz	NKUZQGJYOMHCSF-SSDOTTSWSA-N	-1	0	301.096	0.888	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])c(OC(=O)[C@H](O)CCC(=O)[O-])cc1F	ZINC001227874505	776018324	/nfs/dbraw/zinc/01/83/24/776018324.db2.gz	GXHZSTCANVKPCS-SECBINFHSA-N	-1	0	312.209	0.737	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nc(OC)ncc1F	ZINC001228465321	776086448	/nfs/dbraw/zinc/08/64/48/776086448.db2.gz	PNUSAZJBMBGJEG-QMMMGPOBSA-N	-1	0	322.314	0.462	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncncc1[N+](=O)[O-]	ZINC001228655870	776109199	/nfs/dbraw/zinc/10/91/99/776109199.db2.gz	WYFWKDUFKRJPRO-MRVPVSSYSA-N	-1	0	319.295	0.223	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccnc(Cl)n1	ZINC001228950774	776140589	/nfs/dbraw/zinc/14/05/89/776140589.db2.gz	ASQKVRDMTVLBME-QMMMGPOBSA-N	-1	0	308.743	0.968	20	30		DCEDRM
C#CCC1(O)CCN(CC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)CC1	ZINC001602699319	1169163621	/nfs/dbraw/zinc/16/36/21/1169163621.db2.gz	AVWUGQJPVBDHGA-OCCSQVGLSA-N	-1	0	310.394	0.452	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C(=O)[O-]	ZINC001602748630	1169178088	/nfs/dbraw/zinc/17/80/88/1169178088.db2.gz	DLOVNIIBLHTHMV-WISYIIOYSA-N	-1	0	315.391	0.878	20	30		DCEDRM
C=C[C@@H](OC(=O)Cc1csc(N2CCCC2=O)n1)C(=O)[O-]	ZINC001602826741	1169190424	/nfs/dbraw/zinc/19/04/24/1169190424.db2.gz	GHXGPVQRZJGPGV-SECBINFHSA-N	-1	0	310.331	0.995	20	30		DCEDRM
CC(C)(C)OC(=O)CN(CCC(=O)[O-])c1ncncc1C#N	ZINC001603373900	1169300614	/nfs/dbraw/zinc/30/06/14/1169300614.db2.gz	RDAWHVSCIOTNBK-UHFFFAOYSA-N	-1	0	306.322	0.971	20	30		DCEDRM
CC(C)(C)OC(=O)CN(CCC(=O)[O-])c1nccnc1C#N	ZINC001603373761	1169300722	/nfs/dbraw/zinc/30/07/22/1169300722.db2.gz	LFFITYWRAIVMIA-UHFFFAOYSA-N	-1	0	306.322	0.971	20	30		DCEDRM
COc1cc(C=NN2CCN(C)CC2)ccc1OCC(=O)[O-]	ZINC001317711556	945172423	/nfs/dbraw/zinc/17/24/23/945172423.db2.gz	ASDVGSBRNDKWHC-UHFFFAOYSA-N	-1	0	307.350	0.740	20	30		DCEDRM
COc1cc2cc(C#N)c(N[C@@H]3CO[N-]C3=O)nc2cc1OC	ZINC001167510963	939330479	/nfs/dbraw/zinc/33/04/79/939330479.db2.gz	KIVOGQCMBZJWBV-LLVKDONJSA-N	-1	0	314.301	0.966	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001318139166	945275287	/nfs/dbraw/zinc/27/52/87/945275287.db2.gz	YWVKQKWZJAFJRJ-OAHLLOKOSA-N	-1	0	323.397	0.287	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001268352598	940075585	/nfs/dbraw/zinc/07/55/85/940075585.db2.gz	ZABKGORIJJNGIF-AWEZNQCLSA-N	-1	0	309.370	0.040	20	30		DCEDRM
C#CCN1CC[C@@]2(CCN(C(=O)c3cc([O-])[nH]c(=O)c3)C2)C1=O	ZINC001269381111	940695760	/nfs/dbraw/zinc/69/57/60/940695760.db2.gz	GHJGZEPZKQPEPV-INIZCTEOSA-N	-1	0	315.329	0.191	20	30		DCEDRM
C=C(C)CN1CC[C@]2(CCCN2C(=O)c2cnc[nH]c2=O)C1=O	ZINC001271630409	941413542	/nfs/dbraw/zinc/41/35/42/941413542.db2.gz	MXCMUAHHBXVHQL-MRXNPFEDSA-N	-1	0	316.361	0.965	20	30		DCEDRM
CN1C[C@@]2(F)CN(C(=O)c3ccc([O-])c(C#N)c3)C[C@@]2(F)C1=O	ZINC001272218526	941819543	/nfs/dbraw/zinc/81/95/43/941819543.db2.gz	CEZLVDBJTVOFAF-HUUCEWRRSA-N	-1	0	321.283	0.608	20	30		DCEDRM
COc1cc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)ccc1C#N	ZINC001412880033	942121586	/nfs/dbraw/zinc/12/15/86/942121586.db2.gz	CFBNMHFBWJHNNF-UHFFFAOYSA-N	-1	0	311.301	0.438	20	30		DCEDRM
CC(C)[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H](CO)C(C)C	ZINC001412894695	942128132	/nfs/dbraw/zinc/12/81/32/942128132.db2.gz	JWWKNNPKHQDMSX-NWDGAFQWSA-N	-1	0	308.382	0.646	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]2C(N)=O)cc1C#N	ZINC001412940113	942145037	/nfs/dbraw/zinc/14/50/37/942145037.db2.gz	JQLCETJBFVODTI-SECBINFHSA-N	-1	0	306.347	0.471	20	30		DCEDRM
CO[C@H]([C@@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001412970048	942162393	/nfs/dbraw/zinc/16/23/93/942162393.db2.gz	TZCHIAAWXZOORU-NOZJJQNGSA-N	-1	0	320.349	0.140	20	30		DCEDRM
CCCCc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n[nH]1	ZINC001413194048	942552603	/nfs/dbraw/zinc/55/26/03/942552603.db2.gz	NGXIRMZOLIFKML-UHFFFAOYSA-N	-1	0	316.321	0.525	20	30		DCEDRM
C[C@@H]1CC[C@H](CCC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)O1	ZINC001413310403	942621290	/nfs/dbraw/zinc/62/12/90/942621290.db2.gz	PIBJVKQCPIUYEK-ZYHUDNBSSA-N	-1	0	320.349	0.284	20	30		DCEDRM
C=C(C)CN1CC[C@@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)C1=O	ZINC001272356028	942712509	/nfs/dbraw/zinc/71/25/09/942712509.db2.gz	QDPRHUUAAXBPMB-INIZCTEOSA-N	-1	0	318.377	0.766	20	30		DCEDRM
COC[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1nnn[n-]1	ZINC001413556200	943073419	/nfs/dbraw/zinc/07/34/19/943073419.db2.gz	RQFKGQKAUIGVDQ-JTQLQIEISA-N	-1	0	306.713	0.842	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)c(=O)[n-]c1=O	ZINC001413779686	944085867	/nfs/dbraw/zinc/08/58/67/944085867.db2.gz	YXDUKFQXZKZODH-ZMLRMANQSA-N	-1	0	302.334	0.515	20	30		DCEDRM
C#CCCCC(=O)N[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001486152497	944608445	/nfs/dbraw/zinc/60/84/45/944608445.db2.gz	SYSOLLDGNOGMGY-WBMJQRKESA-N	-1	0	317.393	0.927	20	30		DCEDRM
Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)CCCC#N)c(=O)[nH]1	ZINC001319838148	945676598	/nfs/dbraw/zinc/67/65/98/945676598.db2.gz	ZHPKFTGWBYBJPP-UHFFFAOYSA-N	-1	0	312.351	0.091	20	30		DCEDRM
COC(=O)CC[C@@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC001320741873	945999304	/nfs/dbraw/zinc/99/93/04/945999304.db2.gz	MBSFNFOQTJDEGR-SECBINFHSA-N	-1	0	306.340	0.006	20	30		DCEDRM
C=C[C@@H]1C[C@]1([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001254645614	946418647	/nfs/dbraw/zinc/41/86/47/946418647.db2.gz	FDRAIDIBOIHTTJ-FUTJPDQTSA-N	-1	0	323.418	0.821	20	30		DCEDRM
C=C[C@@H](COC)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC001255008429	946458203	/nfs/dbraw/zinc/45/82/03/946458203.db2.gz	RIVRIHGYFKPUDH-ZETCQYMHSA-N	-1	0	306.365	0.409	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	ZINC001602682318	971267515	/nfs/dbraw/zinc/26/75/15/971267515.db2.gz	MTKVYNFEZNOMMI-LLVKDONJSA-N	-1	0	318.304	0.725	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F	ZINC001602679554	971261484	/nfs/dbraw/zinc/26/14/84/971261484.db2.gz	STSLGVAGFXXROD-VHSXEESVSA-N	-1	0	323.267	0.517	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCCN1C(=O)c1ccco1	ZINC001602681922	971264381	/nfs/dbraw/zinc/26/43/81/971264381.db2.gz	BYBGZHJACIWRHI-LBPRGKRZSA-N	-1	0	318.329	0.821	20	30		DCEDRM
C=CC[C@@H](NC(=O)/C=C\c1cncc(C(=O)NC)c1)C(=O)[O-]	ZINC001322598686	946740096	/nfs/dbraw/zinc/74/00/96/946740096.db2.gz	FIGMLQFWFXBCMB-FOQNGQEVSA-N	-1	0	303.318	0.600	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)n(CCO)n1	ZINC001258036438	946792536	/nfs/dbraw/zinc/79/25/36/946792536.db2.gz	YJYITESEQUPDLT-UHFFFAOYSA-N	-1	0	306.347	0.856	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1cccnc1C(N)=O	ZINC001258201846	946810340	/nfs/dbraw/zinc/81/03/40/946810340.db2.gz	NBFHRXRRYNYAIS-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1cn2cccc(C)c2n1	ZINC001602686286	971287538	/nfs/dbraw/zinc/28/75/38/971287538.db2.gz	ZGNWSZWCZVQNQC-UHFFFAOYSA-N	-1	0	314.345	0.915	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)Nc2c([O-])nc[nH]c2=O)ccc1F	ZINC001259412775	946956038	/nfs/dbraw/zinc/95/60/38/946956038.db2.gz	INXRHOPQTKKQTN-UHFFFAOYSA-N	-1	0	310.266	0.699	20	30		DCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC001259843855	946999936	/nfs/dbraw/zinc/99/99/36/946999936.db2.gz	IXADZZPKIAMXKA-UHFFFAOYSA-N	-1	0	303.299	0.987	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnccn2)n1CC1CC1	ZINC001602699654	971317942	/nfs/dbraw/zinc/31/79/42/971317942.db2.gz	XXUGLZXDOHBUPE-UHFFFAOYSA-N	-1	0	312.333	0.669	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2ccncc2Cl)n1C	ZINC001602700693	971320173	/nfs/dbraw/zinc/32/01/73/971320173.db2.gz	FFPDARIQRPEMDL-UHFFFAOYSA-N	-1	0	319.752	0.979	20	30		DCEDRM
CC[C@H](CC#N)N=c1ccc(C(=O)NC2CCOCC2)n[n-]1	ZINC000358338585	947069118	/nfs/dbraw/zinc/06/91/18/947069118.db2.gz	CFSCGXZPVGSUJD-LLVKDONJSA-N	-1	0	303.366	0.911	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N2CC[C@](COC)(C(=O)[O-])C2)cc1	ZINC001602707317	971343750	/nfs/dbraw/zinc/34/37/50/971343750.db2.gz	PVCGNAVKGBMUBZ-HNNXBMFYSA-N	-1	0	323.370	0.780	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1	ZINC001602717421	971367188	/nfs/dbraw/zinc/36/71/88/971367188.db2.gz	MGMANRLYQCAZQP-OZVIIMIRSA-N	-1	0	321.377	0.764	20	30		DCEDRM
COCC#CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O	ZINC001261736702	947423270	/nfs/dbraw/zinc/42/32/70/947423270.db2.gz	RYJVLTMHSATRIZ-UHFFFAOYSA-N	-1	0	300.311	0.786	20	30		DCEDRM
C=CCNC(=O)C[N@H+]1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1	ZINC001602723241	971395518	/nfs/dbraw/zinc/39/55/18/971395518.db2.gz	XFASJIOGBGYCDZ-NWDGAFQWSA-N	-1	0	306.366	0.212	20	30		DCEDRM
C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001602730020	971404810	/nfs/dbraw/zinc/40/48/10/971404810.db2.gz	PVDLIVWIUZMKSP-WDEREUQCSA-N	-1	0	319.365	0.369	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N(C)CCOCCO)cc1C#N	ZINC001325203516	947708599	/nfs/dbraw/zinc/70/85/99/947708599.db2.gz	LCUCVZQQNHPXTF-UHFFFAOYSA-N	-1	0	311.363	0.462	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccoc1CC(N)=O	ZINC001263293822	947828305	/nfs/dbraw/zinc/82/83/05/947828305.db2.gz	BIPUEPBRNHQBBB-LLVKDONJSA-N	-1	0	321.333	0.173	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc2cccn2cn1	ZINC001263302710	947828468	/nfs/dbraw/zinc/82/84/68/947828468.db2.gz	AMRONQVDYJLJRR-GFCCVEGCSA-N	-1	0	300.318	0.809	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1	ZINC001326535219	948191965	/nfs/dbraw/zinc/19/19/65/948191965.db2.gz	SEVIROCFAGRCEP-GHMZBOCLSA-N	-1	0	308.338	0.480	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn2c1nc(C)cc2C	ZINC001327560553	948550653	/nfs/dbraw/zinc/55/06/53/948550653.db2.gz	WPBSTPMYEOOTEA-UHFFFAOYSA-N	-1	0	306.347	0.429	20	30		DCEDRM
N#Cc1ncc(N2C[C@]3(CCCO3)[C@H]2C2CC2)nc1-c1nnn[n-]1	ZINC001570923204	948656154	/nfs/dbraw/zinc/65/61/54/948656154.db2.gz	VOMWVIRDRBFBHQ-UKRRQHHQSA-N	-1	0	324.348	0.676	20	30		DCEDRM
Cc1nnc2n1CCN(c1cnc(C#N)c(-c3nnn[n-]3)n1)[C@@H]2C	ZINC001570932368	948858020	/nfs/dbraw/zinc/85/80/20/948858020.db2.gz	RZNCQPSMHSLNGE-SSDOTTSWSA-N	-1	0	323.324	0.010	20	30		DCEDRM
CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1	ZINC001589583680	949019531	/nfs/dbraw/zinc/01/95/31/949019531.db2.gz	CFEIFVNQPUKDRS-HWWQOWPSSA-N	-1	0	321.377	0.898	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)c1	ZINC001364449709	949323693	/nfs/dbraw/zinc/32/36/93/949323693.db2.gz	QKKGXDTWRJUZKG-UHFFFAOYSA-N	-1	0	321.296	0.389	20	30		DCEDRM
Cn1nc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1C1CC1	ZINC001364586206	949595472	/nfs/dbraw/zinc/59/54/72/949595472.db2.gz	BLGGVTBDPJPQDV-UHFFFAOYSA-N	-1	0	300.322	0.168	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(=O)[n-]c1=O	ZINC001364692709	949765253	/nfs/dbraw/zinc/76/52/53/949765253.db2.gz	DNKNSFSQHFMYSB-CKYFFXLPSA-N	-1	0	317.349	0.308	20	30		DCEDRM
C#CC[C@H](NC(=O)C(=O)NCC(=O)[N-]OCC)c1ccccc1	ZINC001329811870	949888669	/nfs/dbraw/zinc/88/86/69/949888669.db2.gz	UFCKWIQZAYRLSD-ZDUSSCGKSA-N	-1	0	317.345	0.051	20	30		DCEDRM
C#Cc1ccc(C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)nc1	ZINC001329835299	949906585	/nfs/dbraw/zinc/90/65/85/949906585.db2.gz	NBLHJCBJKMDXLO-UHFFFAOYSA-N	-1	0	310.313	0.561	20	30		DCEDRM
CCN(C(=O)C(=O)Nc1cc(C)n(CCC#N)n1)[C@@H](C)C(=O)[O-]	ZINC001589696793	950170099	/nfs/dbraw/zinc/17/00/99/950170099.db2.gz	BBDVTVDFWBHYPH-JTQLQIEISA-N	-1	0	321.337	0.365	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)[N-]OCCC(F)(F)F	ZINC001330428444	950387487	/nfs/dbraw/zinc/38/74/87/950387487.db2.gz	BNWFEXFRGFBABB-VIFPVBQESA-N	-1	0	310.272	0.531	20	30		DCEDRM
Cc1ncc2c(n1)CCC[C@H]2Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365215957	950752956	/nfs/dbraw/zinc/75/29/56/950752956.db2.gz	RLCQIOOOLMYHGK-GFCCVEGCSA-N	-1	0	312.333	0.533	20	30		DCEDRM
C#C[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C1CCOCC1	ZINC001330967083	950793276	/nfs/dbraw/zinc/79/32/76/950793276.db2.gz	XDGVGIOUIRHAEF-LBPRGKRZSA-N	-1	0	300.318	0.181	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC001331509760	951149513	/nfs/dbraw/zinc/14/95/13/951149513.db2.gz	XTQCZUFEPUPOMH-FRRDWIJNSA-N	-1	0	324.377	0.407	20	30		DCEDRM
CCO[C@@H]1C[C@@](O)(CNC(=O)[C@](C)(C#N)CC(=O)[O-])C1(C)C	ZINC001591761418	951202880	/nfs/dbraw/zinc/20/28/80/951202880.db2.gz	FLFCRARURYTOLE-WKPIXPDZSA-N	-1	0	312.366	0.673	20	30		DCEDRM
C=CCN1CC[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O	ZINC001275461981	952166106	/nfs/dbraw/zinc/16/61/06/952166106.db2.gz	QXDCZBCHJDRFDC-CYBMUJFWSA-N	-1	0	310.379	0.209	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2nc[n-]c(=O)c2Br)CCO1	ZINC001411755459	952430759	/nfs/dbraw/zinc/43/07/59/952430759.db2.gz	VYOGCCDOUXBISI-ZCFIWIBFSA-N	-1	0	313.111	0.309	20	30		DCEDRM
COC(=O)[C@@H](CC(F)F)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001411937509	952550753	/nfs/dbraw/zinc/55/07/53/952550753.db2.gz	PJQWKBDMBBLJIJ-MRVPVSSYSA-N	-1	0	313.260	0.894	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC([C@@H](C)NC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001411996461	952590600	/nfs/dbraw/zinc/59/06/00/952590600.db2.gz	QZXTWCMFUJUWKD-HTQZYQBOSA-N	-1	0	305.338	0.160	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC001412038982	952613997	/nfs/dbraw/zinc/61/39/97/952613997.db2.gz	AMZRTGQLSSDVJK-JTQLQIEISA-N	-1	0	315.362	0.705	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F	ZINC001335981267	952628101	/nfs/dbraw/zinc/62/81/01/952628101.db2.gz	JKSQUMOMSBRSLN-JSGCOSHPSA-N	-1	0	320.320	0.011	20	30		DCEDRM
CC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CC1(C)C	ZINC001412257947	952722312	/nfs/dbraw/zinc/72/23/12/952722312.db2.gz	MJYGGBDXEKBDDF-QWRGUYRKSA-N	-1	0	304.350	0.761	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnn1[C@H]1CCCOC1	ZINC001336832488	952773016	/nfs/dbraw/zinc/77/30/16/952773016.db2.gz	CTVSPXGOMVDULK-QWRGUYRKSA-N	-1	0	308.338	0.795	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCc3cc(C(N)=O)[nH]c3C2)ccc1[O-]	ZINC001276156584	952951940	/nfs/dbraw/zinc/95/19/40/952951940.db2.gz	VENKIXLBBLDALF-UHFFFAOYSA-N	-1	0	310.313	0.889	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CC[C@H](COCC)C1	ZINC001339210741	953080874	/nfs/dbraw/zinc/08/08/74/953080874.db2.gz	KWOBCVFMTZSRPJ-JTQLQIEISA-N	-1	0	304.358	0.507	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CCO[C@H](CCF)C1	ZINC001339210002	953081118	/nfs/dbraw/zinc/08/11/18/953081118.db2.gz	GUAUBGVLFCHPSX-SECBINFHSA-N	-1	0	308.321	0.209	20	30		DCEDRM
C[C@@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1nccs1	ZINC001412799264	953099099	/nfs/dbraw/zinc/09/90/99/953099099.db2.gz	AOJGPJQPQMUBHN-QMMMGPOBSA-N	-1	0	319.346	0.197	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001339617245	953106870	/nfs/dbraw/zinc/10/68/70/953106870.db2.gz	PPJYNPAFBVQFBD-KBPBESRZSA-N	-1	0	301.346	0.291	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(CC)C[C@@H]1CCCO1	ZINC001339710353	953114597	/nfs/dbraw/zinc/11/45/97/953114597.db2.gz	PSNKLSZJBUCCCF-NSHDSACASA-N	-1	0	318.381	0.693	20	30		DCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N1C[C@@H](C)O[C@@H](C)C1	ZINC001340358325	953163776	/nfs/dbraw/zinc/16/37/76/953163776.db2.gz	HBMHSHNJZAHFSS-PHIMTYICSA-N	-1	0	318.385	0.376	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(C2CCOCC2)nn1	ZINC001342612064	953298305	/nfs/dbraw/zinc/29/83/05/953298305.db2.gz	RIPLKOMIFFLKJL-LLVKDONJSA-N	-1	0	303.322	0.254	20	30		DCEDRM
Cn1c(=O)[nH]c(=O)c2cc(C([O-])=C(C#N)c3ccncn3)cnc21	ZINC001342675036	953301414	/nfs/dbraw/zinc/30/14/14/953301414.db2.gz	NPOUAQZKQDWXCC-SNVBAGLBSA-N	-1	0	322.284	0.314	20	30		DCEDRM
C=CCCC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1	ZINC001345772160	953726024	/nfs/dbraw/zinc/72/60/24/953726024.db2.gz	HZZOTUHRMYCISH-QWRGUYRKSA-N	-1	0	322.365	0.082	20	30		DCEDRM
C=CCn1cc(C(=O)NCc2c(C)nn(CC(=O)[O-])c2C)nn1	ZINC001346104484	953802889	/nfs/dbraw/zinc/80/28/89/953802889.db2.gz	VWWOWAOWQCTGNA-UHFFFAOYSA-N	-1	0	318.337	0.292	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2cn[nH]n2)C1	ZINC001284141264	954873295	/nfs/dbraw/zinc/87/32/95/954873295.db2.gz	MMCOVIGKGOOFLF-OLZOCXBDSA-N	-1	0	317.393	0.965	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)NCc1ccccc1C(=O)[O-]	ZINC001349937009	954936760	/nfs/dbraw/zinc/93/67/60/954936760.db2.gz	GUONFMBSJBEALW-UHFFFAOYSA-N	-1	0	320.370	0.484	20	30		DCEDRM
C#CCCCCC(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001284226745	954942176	/nfs/dbraw/zinc/94/21/76/954942176.db2.gz	YJUUBOYMIHUMDI-JTQLQIEISA-N	-1	0	306.366	0.852	20	30		DCEDRM
C=CC[C@@H](NC(=O)N[C@@H](COC)C1CCOCC1)C(=O)[O-]	ZINC001351010201	955234533	/nfs/dbraw/zinc/23/45/33/955234533.db2.gz	GSKLYVVFKVYXBJ-NEPJUHHUSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCC(C)(C)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001284895237	955298352	/nfs/dbraw/zinc/29/83/52/955298352.db2.gz	HMFQCHWLVKGAFV-UHFFFAOYSA-N	-1	0	306.366	0.967	20	30		DCEDRM
Cn1cc([C@@H]2C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CCO2)cn1	ZINC001594537852	955592948	/nfs/dbraw/zinc/59/29/48/955592948.db2.gz	MDCKHIBWKAZSII-XUJVJEKNSA-N	-1	0	320.349	0.761	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001594587525	956013539	/nfs/dbraw/zinc/01/35/39/956013539.db2.gz	ITNXAAJZIPAURT-OLZOCXBDSA-N	-1	0	314.301	0.267	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)Nc2ccccc2C(=O)[O-])CC1	ZINC001594605524	956168082	/nfs/dbraw/zinc/16/80/82/956168082.db2.gz	GGMYXPBJTNNEGJ-UHFFFAOYSA-N	-1	0	316.317	0.975	20	30		DCEDRM
N#CCC1(CNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CC1	ZINC001594606611	956185163	/nfs/dbraw/zinc/18/51/63/956185163.db2.gz	XHRZUWLBGOSHRP-UHFFFAOYSA-N	-1	0	302.290	0.528	20	30		DCEDRM
N#CCN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ccccn1	ZINC001594609883	956195945	/nfs/dbraw/zinc/19/59/45/956195945.db2.gz	COMJRVNKCJOOIA-NSHDSACASA-N	-1	0	316.317	0.261	20	30		DCEDRM
N#CCCN1CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC1	ZINC001594610361	956203080	/nfs/dbraw/zinc/20/30/80/956203080.db2.gz	PFEWJQLTLGMQQK-UHFFFAOYSA-N	-1	0	303.322	0.843	20	30		DCEDRM
N#CCc1ccsc1C(=O)NCCOCCOCC(=O)[O-]	ZINC001594610777	956206343	/nfs/dbraw/zinc/20/63/43/956206343.db2.gz	DRMUMDZZLWLMMA-UHFFFAOYSA-N	-1	0	312.347	0.662	20	30		DCEDRM
N#C[C@@]12CN(Cc3ccc(C(=O)[O-])cc3)C[C@H]1CS(=O)(=O)C2	ZINC001594611083	956210564	/nfs/dbraw/zinc/21/05/64/956210564.db2.gz	MUWPDGSLSXRIPJ-ZFWWWQNUSA-N	-1	0	320.370	0.755	20	30		DCEDRM
N#Cc1c(N2CCC(C(=O)[O-])CC2)cccc1S(N)(=O)=O	ZINC001594614507	956232422	/nfs/dbraw/zinc/23/24/22/956232422.db2.gz	XFSHUASGQCLSAO-UHFFFAOYSA-N	-1	0	309.347	0.507	20	30		DCEDRM
N#Cc1ccc(Cn2cc(CN3CCC[C@@H]3C(=O)[O-])nn2)o1	ZINC001594619595	956270075	/nfs/dbraw/zinc/27/00/75/956270075.db2.gz	JVGCGSFESLETOI-CYBMUJFWSA-N	-1	0	301.306	0.840	20	30		DCEDRM
N#Cc1ccc(N2C[C@H](C(=O)OCC(=O)C(=O)[O-])CC2=O)cc1	ZINC001594621304	956283564	/nfs/dbraw/zinc/28/35/64/956283564.db2.gz	GZXYKEOELMVFPM-SNVBAGLBSA-N	-1	0	316.269	0.108	20	30		DCEDRM
N#Cc1cccc([C@@H]2CN(C(=O)COCC(=O)[O-])CCO2)c1	ZINC001594625497	956310133	/nfs/dbraw/zinc/31/01/33/956310133.db2.gz	JRPYMZDGTRGACC-ZDUSSCGKSA-N	-1	0	304.302	0.559	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1	ZINC001594628690	956334477	/nfs/dbraw/zinc/33/44/77/956334477.db2.gz	KSOXZONPRIGTNA-FZMZJTMJSA-N	-1	0	322.342	0.280	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O	ZINC001354454100	956395864	/nfs/dbraw/zinc/39/58/64/956395864.db2.gz	DZVDCOJLQKABAQ-SNVBAGLBSA-N	-1	0	322.365	0.077	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc(C#N)oc2C)CCO1	ZINC001593971244	956619463	/nfs/dbraw/zinc/61/94/63/956619463.db2.gz	BJGVWXHWHBFCSG-CQSZACIVSA-N	-1	0	308.290	0.402	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC001603126161	972214600	/nfs/dbraw/zinc/21/46/00/972214600.db2.gz	LXVRGSJVBUETGB-NSHDSACASA-N	-1	0	317.349	0.648	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1	ZINC000043511539	957434139	/nfs/dbraw/zinc/43/41/39/957434139.db2.gz	CXARCYVZJLJTNN-LBPRGKRZSA-N	-1	0	312.372	0.797	20	30		DCEDRM
COCc1ncc2c(n1)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2	ZINC001594033811	957787788	/nfs/dbraw/zinc/78/77/88/957787788.db2.gz	YMYORHAPMYFLLL-OAHLLOKOSA-N	-1	0	318.333	0.512	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)[O-]	ZINC000150008619	957824550	/nfs/dbraw/zinc/82/45/50/957824550.db2.gz	NGLBHDGEXVPTLP-MRVPVSSYSA-N	-1	0	316.335	0.289	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588389075	958004020	/nfs/dbraw/zinc/00/40/20/958004020.db2.gz	LWWIWZZICGTVJS-YNEHKIRRSA-N	-1	0	324.377	0.100	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001588389178	958006340	/nfs/dbraw/zinc/00/63/40/958006340.db2.gz	OUMAFZXGHHUKPF-CYBMUJFWSA-N	-1	0	318.329	0.156	20	30		DCEDRM
C#CCC1(O)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	ZINC001588391103	958019408	/nfs/dbraw/zinc/01/94/08/958019408.db2.gz	AOEJRASDVAZWAU-UHFFFAOYSA-N	-1	0	324.377	0.428	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(C)n(C(C)C)n1	ZINC001588395666	958043933	/nfs/dbraw/zinc/04/39/33/958043933.db2.gz	PLDMPVJVWBSNGF-UHFFFAOYSA-N	-1	0	306.322	0.257	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2cnccc2c1	ZINC001588396299	958047573	/nfs/dbraw/zinc/04/75/73/958047573.db2.gz	XZBWPSARVYBDKW-UHFFFAOYSA-N	-1	0	311.297	0.720	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@]1(C(=O)OC)C[C@H]1c1ccccc1	ZINC001588397555	958059417	/nfs/dbraw/zinc/05/94/17/958059417.db2.gz	LXAKJZXOXZZVJA-GUYCJALGSA-N	-1	0	315.325	0.880	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C1=C(C)N(C)c2ncnn2[C@H]1C	ZINC001588399775	958075954	/nfs/dbraw/zinc/07/59/54/958075954.db2.gz	OWWNJQRHLFMVCE-JTQLQIEISA-N	-1	0	303.322	0.109	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCN1C(=O)c2ccccc2C1=O	ZINC001588402306	958090559	/nfs/dbraw/zinc/09/05/59/958090559.db2.gz	QNVJDZHRMNJIPX-UHFFFAOYSA-N	-1	0	314.297	0.219	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1	ZINC001588408621	958115050	/nfs/dbraw/zinc/11/50/50/958115050.db2.gz	VOSVHCXLIONONJ-SLEUVZQESA-N	-1	0	310.350	0.442	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1c(CC)nn(C)c1OC	ZINC001588408872	958119049	/nfs/dbraw/zinc/11/90/49/958119049.db2.gz	JKSKOGGDRUCPER-UHFFFAOYSA-N	-1	0	308.338	0.221	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1c(C2CCC2)cnn1C	ZINC001588409104	958123096	/nfs/dbraw/zinc/12/30/96/958123096.db2.gz	RFCVZTORBBMCEM-UHFFFAOYSA-N	-1	0	304.350	0.917	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1	ZINC001588409831	958132239	/nfs/dbraw/zinc/13/22/39/958132239.db2.gz	LGHRBRJXFGXSRE-FZMZJTMJSA-N	-1	0	312.391	0.771	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000092130790	958159772	/nfs/dbraw/zinc/15/97/72/958159772.db2.gz	UAXWANMOPSXZPP-LBPRGKRZSA-N	-1	0	310.331	0.227	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001361637110	958163251	/nfs/dbraw/zinc/16/32/51/958163251.db2.gz	KVBTWZFPPZFBNG-UHFFFAOYSA-N	-1	0	323.312	0.399	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H](OC)C1CCCC1	ZINC001588425201	958223738	/nfs/dbraw/zinc/22/37/38/958223738.db2.gz	JCLDWNUFLMEKFA-LBPRGKRZSA-N	-1	0	303.380	0.541	20	30		DCEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NCC(F)(F)F	ZINC001603216071	972329868	/nfs/dbraw/zinc/32/98/68/972329868.db2.gz	NQKCGJGXRCWSGY-LDWIPMOCSA-N	-1	0	309.244	0.174	20	30		DCEDRM
COc1ccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001361706595	958238184	/nfs/dbraw/zinc/23/81/84/958238184.db2.gz	PHQKKVFHGPUGBG-UHFFFAOYSA-N	-1	0	314.301	0.146	20	30		DCEDRM
C#CCn1cc(CNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cn1	ZINC001588433322	958294024	/nfs/dbraw/zinc/29/40/24/958294024.db2.gz	OZPAWHQNTJOKKJ-OLZOCXBDSA-N	-1	0	305.334	0.402	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1	ZINC001588434180	958303100	/nfs/dbraw/zinc/30/31/00/958303100.db2.gz	ZMOPIOWXMPLOPY-XDQVBPFNSA-N	-1	0	320.389	0.864	20	30		DCEDRM
C[C@H](Cc1cccs1)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361766081	958303300	/nfs/dbraw/zinc/30/33/00/958303300.db2.gz	IXSLACKQFRXGCW-SECBINFHSA-N	-1	0	318.358	0.629	20	30		DCEDRM
C=C(C)Cn1c([C@@H](O)COC)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588441373	958336580	/nfs/dbraw/zinc/33/65/80/958336580.db2.gz	BQNWBPHCVLTPDA-XHDPSFHLSA-N	-1	0	324.381	0.835	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](CNC(=O)C#CC2CC2)C(C)C)c1[O-]	ZINC001297968405	958372947	/nfs/dbraw/zinc/37/29/47/958372947.db2.gz	WVQILTGIGNOBAK-GFCCVEGCSA-N	-1	0	318.377	0.708	20	30		DCEDRM
CN(Cc1ccco1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361847954	958401798	/nfs/dbraw/zinc/40/17/98/958401798.db2.gz	OFIYXVAXHUTHSB-UHFFFAOYSA-N	-1	0	302.290	0.462	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@H](C)[C@H](C(=O)[O-])C2)n1CCOC	ZINC001588451822	958415512	/nfs/dbraw/zinc/41/55/12/958415512.db2.gz	CCDSGGNPAQHRLK-TUAOUCFPSA-N	-1	0	324.381	0.691	20	30		DCEDRM
COc1ccc(NC(=O)[C@H](C#N)C(=O)COCC(=O)[O-])cc1	ZINC001594101521	958438148	/nfs/dbraw/zinc/43/81/48/958438148.db2.gz	DXEGALHUVQJHDR-LLVKDONJSA-N	-1	0	306.274	0.444	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(C(=O)N2CCCC2)n1	ZINC001573319639	958475521	/nfs/dbraw/zinc/47/55/21/958475521.db2.gz	FAHJRSJNZBUGBN-UHFFFAOYSA-N	-1	0	315.329	0.478	20	30		DCEDRM
COC(C)(C)C[C@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361954578	958532964	/nfs/dbraw/zinc/53/29/64/958532964.db2.gz	YNYCGCMBSROWNP-JTQLQIEISA-N	-1	0	322.365	0.530	20	30		DCEDRM
C=CCn1c(C[S@](C)=O)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001588472528	958542929	/nfs/dbraw/zinc/54/29/29/958542929.db2.gz	OIOYQPOOKCSDTC-CWKPULSASA-N	-1	0	312.395	0.644	20	30		DCEDRM
C[C@H](Cc1ccco1)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362089363	958718536	/nfs/dbraw/zinc/71/85/36/958718536.db2.gz	MFRPJBAPAJOBRF-SECBINFHSA-N	-1	0	302.290	0.161	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1cc(C#N)ccc1F)[C@H](C)C(=O)[O-]	ZINC001588507676	958741769	/nfs/dbraw/zinc/74/17/69/958741769.db2.gz	NSYQQEGUEZTVTD-SECBINFHSA-N	-1	0	321.308	0.749	20	30		DCEDRM
CC(=O)NCc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC001588514574	958778602	/nfs/dbraw/zinc/77/86/02/958778602.db2.gz	JNAJYDISDJQEGO-INIZCTEOSA-N	-1	0	317.345	0.943	20	30		DCEDRM
CNC(=O)[C@@H]1CCCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362144195	958818022	/nfs/dbraw/zinc/81/80/22/958818022.db2.gz	CYERSKYCYNTFNJ-SNVBAGLBSA-N	-1	0	302.334	0.566	20	30		DCEDRM
C[C@@H]1CCCC[C@@H]1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362196996	958913094	/nfs/dbraw/zinc/91/30/94/958913094.db2.gz	MKJTXDRUSBTKBL-GHMZBOCLSA-N	-1	0	304.350	0.763	20	30		DCEDRM
COC(=O)N1CCC[C@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362199514	958918389	/nfs/dbraw/zinc/91/83/89/958918389.db2.gz	JCMHNGKQQBQWAV-NSHDSACASA-N	-1	0	318.333	0.928	20	30		DCEDRM
CCCCN(CCOC)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362239670	958983190	/nfs/dbraw/zinc/98/31/90/958983190.db2.gz	ZSYWTJVNYWRLSO-UHFFFAOYSA-N	-1	0	322.365	0.486	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC001588557716	959071420	/nfs/dbraw/zinc/07/14/20/959071420.db2.gz	KMWFWYPZKZPHMJ-GSDQLPOLSA-N	-1	0	314.285	0.418	20	30		DCEDRM
Cc1c(F)cccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362287686	959076819	/nfs/dbraw/zinc/07/68/19/959076819.db2.gz	RUYYTTVYTSSQNI-UHFFFAOYSA-N	-1	0	302.265	0.907	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC001588566101	959149173	/nfs/dbraw/zinc/14/91/73/959149173.db2.gz	TWACVUKSUGFFBF-GXTWGEPZSA-N	-1	0	301.346	0.944	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCC(F)(F)F)c(=O)[n-]c1=O	ZINC001362337253	959169306	/nfs/dbraw/zinc/16/93/06/959169306.db2.gz	IFOJIPYBVCPZAD-UHFFFAOYSA-N	-1	0	304.228	0.279	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC001588585791	959308866	/nfs/dbraw/zinc/30/88/66/959308866.db2.gz	PGVAFFXGHBJAKP-JOYOIKCWSA-N	-1	0	302.286	0.927	20	30		DCEDRM
COC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCCCC1	ZINC001362519145	959510954	/nfs/dbraw/zinc/51/09/54/959510954.db2.gz	NDDLDZPUCTZHOX-UHFFFAOYSA-N	-1	0	320.349	0.286	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1nnnn1CC1CC1	ZINC001362541237	959557428	/nfs/dbraw/zinc/55/74/28/959557428.db2.gz	KRFKHIMTZRSHBM-UHFFFAOYSA-N	-1	0	313.321	0.294	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)CO[C@H]1CCOC1	ZINC001362547460	959574001	/nfs/dbraw/zinc/57/40/01/959574001.db2.gz	NTRMLQNLGFQNTE-PWSUYJOCSA-N	-1	0	305.334	0.891	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(=O)N(CC2CC2)C1	ZINC001362584562	959645727	/nfs/dbraw/zinc/64/57/27/959645727.db2.gz	QLOLTNYFQQHVLL-UHFFFAOYSA-N	-1	0	300.318	0.619	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)[C@@H]1C	ZINC001362605009	959682454	/nfs/dbraw/zinc/68/24/54/959682454.db2.gz	NOCSTWWIWVJJJO-MWLCHTKSSA-N	-1	0	303.318	0.991	20	30		DCEDRM
COC(=O)C1=CC[C@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362668946	959798617	/nfs/dbraw/zinc/79/86/17/959798617.db2.gz	INRZHHDDZLYOPH-NSHDSACASA-N	-1	0	301.302	0.959	20	30		DCEDRM
Cc1cc(O)cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001362734330	959908349	/nfs/dbraw/zinc/90/83/49/959908349.db2.gz	AQNGVTSIPFBJBO-UHFFFAOYSA-N	-1	0	300.274	0.473	20	30		DCEDRM
C[C@H](OC(=O)[C@]1(C(=O)[O-])CC1(C)C)C(=O)NC1(C#N)CCC1	ZINC001603268429	972466387	/nfs/dbraw/zinc/46/63/87/972466387.db2.gz	JGZDCRZOAMSLQQ-BJOHPYRUSA-N	-1	0	308.334	0.981	20	30		DCEDRM
COCC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001362875145	960119752	/nfs/dbraw/zinc/11/97/52/960119752.db2.gz	OAIHKDRAACSIEV-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC2(C3CCC3)CC2)c(=O)[n-]c1=O	ZINC001362901363	960153967	/nfs/dbraw/zinc/15/39/67/960153967.db2.gz	WYFZTHCVBPGAOU-UHFFFAOYSA-N	-1	0	302.334	0.660	20	30		DCEDRM
Cc1[nH]nc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1Cl	ZINC001362982446	960254948	/nfs/dbraw/zinc/25/49/48/960254948.db2.gz	YNUSJFMOJRGFHL-UHFFFAOYSA-N	-1	0	322.712	0.534	20	30		DCEDRM
CC#CCCCC(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001317534495	960278962	/nfs/dbraw/zinc/27/89/62/960278962.db2.gz	DDZAWYSKYTVFKW-LBPRGKRZSA-N	-1	0	305.382	0.642	20	30		DCEDRM
N#Cc1ccc2c(c1)CCN2C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001363017115	960303355	/nfs/dbraw/zinc/30/33/55/960303355.db2.gz	FWTJFIUSUGAWBV-UHFFFAOYSA-N	-1	0	313.317	0.930	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001363026650	960315785	/nfs/dbraw/zinc/31/57/85/960315785.db2.gz	FVFHFGHSKJTPAT-UHFFFAOYSA-N	-1	0	312.333	0.504	20	30		DCEDRM
CCOC(=O)N(C)CCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363159945	960508476	/nfs/dbraw/zinc/50/84/76/960508476.db2.gz	QGNKCDBHQXXJPE-UHFFFAOYSA-N	-1	0	304.310	0.960	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2c(O)cccc2F)c(=O)[n-]c1=O	ZINC001363288761	960800283	/nfs/dbraw/zinc/80/02/83/960800283.db2.gz	UYEBEGVKQLVNHF-UHFFFAOYSA-N	-1	0	318.264	0.095	20	30		DCEDRM
CNC(=O)N[C@@H]1CCCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001363368112	960995269	/nfs/dbraw/zinc/99/52/69/960995269.db2.gz	XPLRQSYLMFFKQM-LLVKDONJSA-N	-1	0	317.349	0.501	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001571081057	961008548	/nfs/dbraw/zinc/00/85/48/961008548.db2.gz	BKOIMNAIVKVICC-WDEREUQCSA-N	-1	0	303.384	0.700	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC=Cc2cccnc2)c(=O)[n-]c1=O	ZINC001363376371	961016042	/nfs/dbraw/zinc/01/60/42/961016042.db2.gz	KZXPFIOTEXNZIQ-RQOWECAXSA-N	-1	0	311.301	0.045	20	30		DCEDRM
C[C@H](CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001363484650	961250272	/nfs/dbraw/zinc/25/02/72/961250272.db2.gz	SDWTYZROHJRAQR-SSDOTTSWSA-N	-1	0	318.255	0.525	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC001331263170	961371797	/nfs/dbraw/zinc/37/17/97/961371797.db2.gz	RIGPWXFIXLBFTN-UHFFFAOYSA-N	-1	0	324.377	0.239	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC001332125486	961466961	/nfs/dbraw/zinc/46/69/61/961466961.db2.gz	QLLUHQULUYUUSZ-LBPRGKRZSA-N	-1	0	318.395	0.305	20	30		DCEDRM
Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c(C#N)cn1	ZINC001571124058	961481200	/nfs/dbraw/zinc/48/12/00/961481200.db2.gz	YFELRVLTYKNKBE-ZDEQEGDKSA-N	-1	0	314.345	0.463	20	30		DCEDRM
N#Cc1csc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])n1	ZINC001571126138	961499802	/nfs/dbraw/zinc/49/98/02/961499802.db2.gz	NXYZGOJBDZHENY-SECBINFHSA-N	-1	0	315.376	0.088	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)Nc2ccc(C#N)cn2)C[C@@H]1C(=O)[O-]	ZINC001571138184	961633913	/nfs/dbraw/zinc/63/39/13/961633913.db2.gz	RMJMDJCPIJIRCW-UWVGGRQHSA-N	-1	0	318.289	0.291	20	30		DCEDRM
C[C@H]1CCCCN1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363696856	961713930	/nfs/dbraw/zinc/71/39/30/961713930.db2.gz	MFWBTDBKLUAFLW-JTQLQIEISA-N	-1	0	305.338	0.116	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@](C)(O)c2ccc(F)cc2)c(C#N)c1=O	ZINC001363729961	961776239	/nfs/dbraw/zinc/77/62/39/961776239.db2.gz	UQRXYBIVOTZTAB-HNNXBMFYSA-N	-1	0	318.308	0.404	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H]2COc3cc(F)cc(F)c32)c(C#N)c1=O	ZINC001363730350	961778237	/nfs/dbraw/zinc/77/82/37/961778237.db2.gz	IQZRXBVOHNXPPD-SECBINFHSA-N	-1	0	320.255	0.769	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cccc(N2CCNC2=O)c1)C(=O)[O-]	ZINC001339538654	962040063	/nfs/dbraw/zinc/04/00/63/962040063.db2.gz	FXJNZYXIEAFMFU-LBPRGKRZSA-N	-1	0	301.302	0.423	20	30		DCEDRM
CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)C(=O)[O-]	ZINC001588898681	962239049	/nfs/dbraw/zinc/23/90/49/962239049.db2.gz	UNJMNSJKLDXAES-JTQLQIEISA-N	-1	0	304.306	0.507	20	30		DCEDRM
N#CCc1ccccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364106760	962483049	/nfs/dbraw/zinc/48/30/49/962483049.db2.gz	HAJYXQFSGYBYNK-UHFFFAOYSA-N	-1	0	323.312	0.317	20	30		DCEDRM
Cn1c(=O)[n-]c(NC2CCC3(CC2)OCCO3)c(C#N)c1=O	ZINC001364136132	962536462	/nfs/dbraw/zinc/53/64/62/962536462.db2.gz	SPFUCVSBTAZPEX-UHFFFAOYSA-N	-1	0	306.322	0.043	20	30		DCEDRM
COc1c(C)cnc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1C	ZINC001364163822	962594162	/nfs/dbraw/zinc/59/41/62/962594162.db2.gz	MBWFHVQCPUCTCH-UHFFFAOYSA-N	-1	0	315.333	0.578	20	30		DCEDRM
C#CCC1(C(=O)NC[C@H](C)CNC(=O)CNC(=O)[O-])CCC1	ZINC001573303191	962672100	/nfs/dbraw/zinc/67/21/00/962672100.db2.gz	LGLZYQPZQLHOEZ-LLVKDONJSA-N	-1	0	309.366	0.316	20	30		DCEDRM
C#CCC1(C(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCCCC1	ZINC001573303223	962673946	/nfs/dbraw/zinc/67/39/46/962673946.db2.gz	MHPAGIGGXQRFEG-QWHCGFSZSA-N	-1	0	320.389	0.913	20	30		DCEDRM
C#CCC1(C(=O)N2CC[C@@H](NC(=O)CNC(=O)[O-])C2)CCC1	ZINC001573304200	962686315	/nfs/dbraw/zinc/68/63/15/962686315.db2.gz	ZOLSSOCYEFTJGV-LLVKDONJSA-N	-1	0	307.350	0.165	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)/C=C(\C)CN1CCOCC1)C(=O)[O-]	ZINC001354052864	962705130	/nfs/dbraw/zinc/70/51/30/962705130.db2.gz	WFTBYCOKQOZYOI-CNELAYHGSA-N	-1	0	312.366	0.037	20	30		DCEDRM
C=C(Br)CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573313659	962735381	/nfs/dbraw/zinc/73/53/81/962735381.db2.gz	OHJXWGNHVBESMG-ZJUUUORDSA-N	-1	0	317.183	0.760	20	30		DCEDRM
C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)[O-]	ZINC001573323472	962773123	/nfs/dbraw/zinc/77/31/23/962773123.db2.gz	BXQZIFIJJNPDQT-TXEJJXNPSA-N	-1	0	309.366	0.812	20	30		DCEDRM
C=C(C)CCC(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])[C@H](C)C1	ZINC001573324205	962781368	/nfs/dbraw/zinc/78/13/68/962781368.db2.gz	OVJBWKUWTNSXED-NEPJUHHUSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=C(C)CCC(=O)NC1(CCO)CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573324214	962781502	/nfs/dbraw/zinc/78/15/02/962781502.db2.gz	OYDKZLSFRCTDAL-NWDGAFQWSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C[C@H]21	ZINC001573324548	962786608	/nfs/dbraw/zinc/78/66/08/962786608.db2.gz	UVQWHCLUPYMZFF-SVPLCASGSA-N	-1	0	306.362	0.636	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	ZINC001573332706	962841204	/nfs/dbraw/zinc/84/12/04/962841204.db2.gz	QNUYSLFLLPHMPY-OKILXGFUSA-N	-1	0	315.391	0.691	20	30		DCEDRM
C=C(Cl)CN1C[C@@H]2CN(C(=O)CNC(=O)[O-])C[C@]2(C)C1	ZINC001573344084	962912795	/nfs/dbraw/zinc/91/27/95/962912795.db2.gz	NMHXZTJEPPTRJG-MFKMUULPSA-N	-1	0	301.774	0.787	20	30		DCEDRM
C=C[C@H](C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)[O-]	ZINC001573348024	962953935	/nfs/dbraw/zinc/95/39/35/962953935.db2.gz	ROJBFOUCMYGBAQ-QNWHQSFQSA-N	-1	0	323.393	0.914	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc2[nH]c(CO)nc21)C(=O)[O-]	ZINC001573368416	963078827	/nfs/dbraw/zinc/07/88/27/963078827.db2.gz	DKUFPSUTKIRCQU-LLVKDONJSA-N	-1	0	319.317	0.441	20	30		DCEDRM
C=CCOCC(=O)NC1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573368440	963079984	/nfs/dbraw/zinc/07/99/84/963079984.db2.gz	FARLFPOEMNBGND-NWDGAFQWSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C#CCCCS(=O)(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-]	ZINC001588446445	964073670	/nfs/dbraw/zinc/07/36/70/964073670.db2.gz	HCBGGDROKXEKDN-CYBMUJFWSA-N	-1	0	311.359	0.851	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(OC)c(OC)c1	ZINC000317602476	967987022	/nfs/dbraw/zinc/98/70/22/967987022.db2.gz	FFBHGGFFIOHEEV-UHFFFAOYSA-N	-1	0	306.318	0.933	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cc(C)[nH]n2)n1CCOC	ZINC001588426409	969881489	/nfs/dbraw/zinc/88/14/89/969881489.db2.gz	JCDKESOMALPELZ-UHFFFAOYSA-N	-1	0	318.337	0.147	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1ccc(O)c(O)c1	ZINC001609693149	970454961	/nfs/dbraw/zinc/45/49/61/970454961.db2.gz	XUXUUQABPQSQFM-AWEZNQCLSA-N	-1	0	307.258	0.828	20	30		DCEDRM
C=CCOc1ccc(C(=O)NCCn2cc(C(=O)[O-])nn2)cc1	ZINC000321250651	970755476	/nfs/dbraw/zinc/75/54/76/970755476.db2.gz	OJPMZTXIICABTB-UHFFFAOYSA-N	-1	0	316.317	0.971	20	30		DCEDRM
Cc1cc(C#N)ccc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001600075136	970755543	/nfs/dbraw/zinc/75/55/43/970755543.db2.gz	JLXXUPLNNGJGIP-ZDUSSCGKSA-N	-1	0	308.359	0.550	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(C(=O)C(C)(C)C#N)C[C@H]2C(=O)[O-]	ZINC001604280069	972853753	/nfs/dbraw/zinc/85/37/53/972853753.db2.gz	JVUJZCPOKSSQPA-VOZQYIJBSA-N	-1	0	308.334	0.649	20	30		DCEDRM
CC[C@@H](C#N)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001603487833	973415352	/nfs/dbraw/zinc/41/53/52/973415352.db2.gz	DERFMKBBVGOGCI-WDEREUQCSA-N	-1	0	307.350	0.460	20	30		DCEDRM
COCCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001604629837	973760392	/nfs/dbraw/zinc/76/03/92/973760392.db2.gz	LNKNYSKHJIHETD-HFAKWTLXSA-N	-1	0	319.365	0.853	20	30		DCEDRM
COCCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001604629836	973760668	/nfs/dbraw/zinc/76/06/68/973760668.db2.gz	LNKNYSKHJIHETD-FIXISWKDSA-N	-1	0	319.365	0.853	20	30		DCEDRM
N#CCCN1CCN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CC1	ZINC001605585608	973877701	/nfs/dbraw/zinc/87/77/01/973877701.db2.gz	HADYXZGIRQRTMT-CHWSQXEVSA-N	-1	0	309.366	0.314	20	30		DCEDRM
N#Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1F	ZINC001605591887	973890160	/nfs/dbraw/zinc/89/01/60/973890160.db2.gz	GWHGEWBSPHRRRP-IAQYHMDHSA-N	-1	0	304.277	0.871	20	30		DCEDRM
N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1	ZINC001605601239	973901857	/nfs/dbraw/zinc/90/18/57/973901857.db2.gz	DFEIBKUUBCHQAJ-CZUORRHYSA-N	-1	0	300.314	0.926	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)s1	ZINC001605601761	973907252	/nfs/dbraw/zinc/90/72/52/973907252.db2.gz	BJUJOEHCHHBAGA-XPTSAGLGSA-N	-1	0	321.358	0.862	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)c2ccc(C(=O)[O-])nc2)nc1	ZINC001605612412	973926392	/nfs/dbraw/zinc/92/63/92/973926392.db2.gz	KYWKDIILLMBHMX-UHFFFAOYSA-N	-1	0	311.301	0.888	20	30		DCEDRM
N#Cc1cccc(CN[C@H]2CCCCN(CC(=O)[O-])C2=O)n1	ZINC001605617604	973935890	/nfs/dbraw/zinc/93/58/90/973935890.db2.gz	PTNHCLLFJIRTJE-ZDUSSCGKSA-N	-1	0	302.334	0.509	20	30		DCEDRM
COc1ccc(C#N)cc1Cn1cc(CN(C)CC(=O)[O-])nn1	ZINC001604756530	973968878	/nfs/dbraw/zinc/96/88/78/973968878.db2.gz	PWMGYDMQRZJZGO-UHFFFAOYSA-N	-1	0	315.333	0.723	20	30		DCEDRM
CN(C(=O)COC(=O)c1cnc(C(=O)[O-])cn1)C(C)(C)C#N	ZINC001604028553	974552679	/nfs/dbraw/zinc/55/26/79/974552679.db2.gz	IRCCZOHWYAVTCV-UHFFFAOYSA-N	-1	0	306.278	0.092	20	30		DCEDRM
C=CCOCCCNS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000700818559	976980892	/nfs/dbraw/zinc/98/08/92/976980892.db2.gz	YNVHEXDGVYVPPM-UHFFFAOYSA-N	-1	0	300.336	0.651	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC001592222541	977408569	/nfs/dbraw/zinc/40/85/69/977408569.db2.gz	YDWZOZQMNIEDEU-GHMZBOCLSA-N	-1	0	303.384	0.794	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000717438420	977900009	/nfs/dbraw/zinc/90/00/09/977900009.db2.gz	YVMVDPWPDSXCJY-SSDOTTSWSA-N	-1	0	305.739	0.863	20	30		DCEDRM
C[C@H](CS(=O)(=O)NCc1cc(F)c(C#N)c(F)c1)C(=O)[O-]	ZINC001592815845	979511310	/nfs/dbraw/zinc/51/13/10/979511310.db2.gz	KMWNDKFYIUMDCG-SSDOTTSWSA-N	-1	0	318.301	0.977	20	30		DCEDRM
CCCCCCCNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001595704343	982274498	/nfs/dbraw/zinc/27/44/98/982274498.db2.gz	GGYFACAGCOFHJQ-NWDGAFQWSA-N	-1	0	314.382	0.367	20	30		DCEDRM
CCCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)C#CC1CC1	ZINC001595880267	982888099	/nfs/dbraw/zinc/88/80/99/982888099.db2.gz	VZDVZYCJHZLNNJ-OLZOCXBDSA-N	-1	0	306.362	0.475	20	30		DCEDRM
N#C[C@@]12CN(Cc3cccc(C(=O)[O-])n3)C[C@H]1CS(=O)(=O)C2	ZINC001574240812	983199341	/nfs/dbraw/zinc/19/93/41/983199341.db2.gz	BJFFWSTUFAQRGU-HZMBPMFUSA-N	-1	0	321.358	0.150	20	30		DCEDRM
N#Cc1csc(CNC(=O)Nc2ccn(CC(=O)[O-])n2)n1	ZINC001574248773	983202546	/nfs/dbraw/zinc/20/25/46/983202546.db2.gz	NWUHDZPKYXJAPT-UHFFFAOYSA-N	-1	0	306.307	0.618	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC001588369386	983313345	/nfs/dbraw/zinc/31/33/45/983313345.db2.gz	KEBJTUFPPPTOPU-VIFPVBQESA-N	-1	0	304.302	0.860	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C	ZINC001588371183	983325864	/nfs/dbraw/zinc/32/58/64/983325864.db2.gz	YDUJAKGJGYSKFV-QMMMGPOBSA-N	-1	0	301.295	0.105	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C	ZINC001588371182	983325899	/nfs/dbraw/zinc/32/58/99/983325899.db2.gz	YDUJAKGJGYSKFV-MRVPVSSYSA-N	-1	0	301.295	0.105	20	30		DCEDRM
C#CC1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	ZINC001588383382	983380650	/nfs/dbraw/zinc/38/06/50/983380650.db2.gz	XXIZCNUSCBDJJC-WQGACYEGSA-N	-1	0	304.346	0.228	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001588383801	983384333	/nfs/dbraw/zinc/38/43/33/983384333.db2.gz	LAOOAOBCMSQBTR-ZETCQYMHSA-N	-1	0	319.722	0.654	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001588390386	983393776	/nfs/dbraw/zinc/39/37/76/983393776.db2.gz	UBLOQQZAACGUAG-JTQLQIEISA-N	-1	0	321.333	0.504	20	30		DCEDRM
C#CCC(CC#C)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001588390459	983394474	/nfs/dbraw/zinc/39/44/74/983394474.db2.gz	VLGZNERTEKDVLO-STQMWFEESA-N	-1	0	305.330	0.514	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588394567	983402737	/nfs/dbraw/zinc/40/27/37/983402737.db2.gz	NTFVIVQFEVGOAU-LBPRGKRZSA-N	-1	0	318.329	0.407	20	30		DCEDRM
C#CC[C@H](NC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C)C(=O)[O-]	ZINC001588399831	983417052	/nfs/dbraw/zinc/41/70/52/983417052.db2.gz	XPOXIYFNQBQTEX-ZJUUUORDSA-N	-1	0	303.322	0.156	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cccc2c1O[C@H](C)C(=O)N2)C(=O)[O-]	ZINC001588416539	983437208	/nfs/dbraw/zinc/43/72/08/983437208.db2.gz	PAPHVDQGOSYKGJ-KCJUWKMLSA-N	-1	0	302.286	0.612	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)C1	ZINC001588432015	983466770	/nfs/dbraw/zinc/46/67/70/983466770.db2.gz	UXDJDJUGXJJZAM-GUYCJALGSA-N	-1	0	320.389	0.962	20	30		DCEDRM
C#CC[C@@H]1CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1	ZINC001588434655	983471517	/nfs/dbraw/zinc/47/15/17/983471517.db2.gz	PMQBSZHZFCQXMZ-MRVPVSSYSA-N	-1	0	300.361	0.875	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)NCc1ccccc1CC(=O)[O-]	ZINC001588435235	983475219	/nfs/dbraw/zinc/47/52/19/983475219.db2.gz	HMUCKHPMKMKMKW-CQSZACIVSA-N	-1	0	304.346	0.887	20	30		DCEDRM
C#CCCS(=O)(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1	ZINC001588458818	983484077	/nfs/dbraw/zinc/48/40/77/983484077.db2.gz	UNSAXXPNOMCMJI-SECBINFHSA-N	-1	0	314.388	0.984	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)NCc2ncc(C(=O)[O-])s2)C1	ZINC001588475411	983508353	/nfs/dbraw/zinc/50/83/53/983508353.db2.gz	DKLQBDOIBMVGTG-JTQLQIEISA-N	-1	0	322.390	0.738	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NCCCN(C)c1ncc(C(=O)[O-])cn1	ZINC001588489933	983529884	/nfs/dbraw/zinc/52/98/84/983529884.db2.gz	DWMNVBFTQQHHNO-NSHDSACASA-N	-1	0	320.349	0.156	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N(CCC(=O)[O-])CC(=O)OC(C)(C)C	ZINC001588490449	983532680	/nfs/dbraw/zinc/53/26/80/983532680.db2.gz	MZNGBIIWPGZRRK-NSHDSACASA-N	-1	0	313.350	0.670	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)c1ccnc(C(=O)[O-])n1	ZINC001588490761	983534116	/nfs/dbraw/zinc/53/41/16/983534116.db2.gz	XYOSKCYTMNYDJU-MNOVXSKESA-N	-1	0	320.349	0.154	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)CC1	ZINC001588511512	983559933	/nfs/dbraw/zinc/55/99/33/983559933.db2.gz	YYGCYXTZEOLTIU-CYDGBPFRSA-N	-1	0	306.362	0.616	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588535961	983591664	/nfs/dbraw/zinc/59/16/64/983591664.db2.gz	MXWCYBWUHLSAQD-GHMZBOCLSA-N	-1	0	305.396	0.998	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588535962	983591737	/nfs/dbraw/zinc/59/17/37/983591737.db2.gz	MXWCYBWUHLSAQD-MNOVXSKESA-N	-1	0	305.396	0.998	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1ccc(-n2cnnn2)cn1)C(=O)[O-]	ZINC001588546527	983615885	/nfs/dbraw/zinc/61/58/85/983615885.db2.gz	MVQXYFDUOHQFSO-NSHDSACASA-N	-1	0	302.294	0.207	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC001596231243	983626176	/nfs/dbraw/zinc/62/61/76/983626176.db2.gz	JEGDNSZYUPLZED-MXWKQRLJSA-N	-1	0	312.322	0.170	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(CCC(=O)OC)[C@@H](C)C1	ZINC001588615452	983712152	/nfs/dbraw/zinc/71/21/52/983712152.db2.gz	UTIKEWHLEJNUGC-LBPRGKRZSA-N	-1	0	312.366	0.503	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCOC[C@@H]1OCCOC	ZINC001588623625	983728902	/nfs/dbraw/zinc/72/89/02/983728902.db2.gz	UGSTUVZMWMFNGC-NEPJUHHUSA-N	-1	0	301.339	0.344	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cc(=O)n2ccccc2n1	ZINC001588630167	983741654	/nfs/dbraw/zinc/74/16/54/983741654.db2.gz	SFOSWPVDQMNFOG-UHFFFAOYSA-N	-1	0	301.302	0.732	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@@H](O)CNc2ncc(C(=O)[O-])cn2)C1	ZINC001588643815	983767187	/nfs/dbraw/zinc/76/71/87/983767187.db2.gz	UJPSMPNAWQATHV-LLVKDONJSA-N	-1	0	320.349	0.420	20	30		DCEDRM
C=C1CCC(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CC1	ZINC001588644345	983769424	/nfs/dbraw/zinc/76/94/24/983769424.db2.gz	QNLMEYJUOTYBRQ-NSHDSACASA-N	-1	0	301.364	0.443	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ncc(C#N)cc1F	ZINC001596332360	983770002	/nfs/dbraw/zinc/77/00/02/983770002.db2.gz	HVCWTQPNJRGCCZ-MNOVXSKESA-N	-1	0	320.324	0.756	20	30		DCEDRM
CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001596341022	983790899	/nfs/dbraw/zinc/79/08/99/983790899.db2.gz	NYQOYGPJOONWSD-RYUDHWBXSA-N	-1	0	317.349	0.638	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])[NH+]1CCC(c2n[n-]c(C(=O)OCC)n2)CC1	ZINC001588664681	983802846	/nfs/dbraw/zinc/80/28/46/983802846.db2.gz	YXZYQBPXTRYZAE-JTQLQIEISA-N	-1	0	308.338	0.800	20	30		DCEDRM
C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588672315	983824825	/nfs/dbraw/zinc/82/48/25/983824825.db2.gz	REVWVXRIKDYGGE-KKJSVHSVSA-N	-1	0	306.362	0.492	20	30		DCEDRM
C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588672318	983824876	/nfs/dbraw/zinc/82/48/76/983824876.db2.gz	REVWVXRIKDYGGE-RNWYCLNJSA-N	-1	0	306.362	0.492	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])n1cc(CN2CCCC[C@@H]2C(=O)OC)nn1	ZINC001588672543	983825979	/nfs/dbraw/zinc/82/59/79/983825979.db2.gz	VUJXPNQAUPAWMO-NWDGAFQWSA-N	-1	0	308.338	0.617	20	30		DCEDRM
C=C[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC001588703856	983922572	/nfs/dbraw/zinc/92/25/72/983922572.db2.gz	ANHXUEBQJUYQEE-YUMQZZPRSA-N	-1	0	319.360	0.597	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@](OC)(C(=O)[O-])C2)n1CC(=C)C	ZINC001588706398	983930878	/nfs/dbraw/zinc/93/08/78/983930878.db2.gz	YWTHXHDLKDTEMR-IAQYHMDHSA-N	-1	0	322.365	0.754	20	30		DCEDRM
C=C[C@@H](OC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C)C(=O)[O-]	ZINC001588711541	983938767	/nfs/dbraw/zinc/93/87/67/983938767.db2.gz	AXDVUNKRBDLCEN-NXEZZACHSA-N	-1	0	305.352	0.275	20	30		DCEDRM
C=C[C@@H](OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)[O-]	ZINC001588711751	983940020	/nfs/dbraw/zinc/94/00/20/983940020.db2.gz	QXWLEMSQTCQDMH-ZJUUUORDSA-N	-1	0	315.322	0.805	20	30		DCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588735927	984021300	/nfs/dbraw/zinc/02/13/00/984021300.db2.gz	PCYZEYHRGNPPPN-ZUZCIYMTSA-N	-1	0	323.349	0.289	20	30		DCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588736236	984023240	/nfs/dbraw/zinc/02/32/40/984023240.db2.gz	UXSLRNMZTGUFPB-HWWQOWPSSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588737580	984029941	/nfs/dbraw/zinc/02/99/41/984029941.db2.gz	MOVGKVGNOJNOOH-NSHDSACASA-N	-1	0	305.396	0.735	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001588737607	984030183	/nfs/dbraw/zinc/03/01/83/984030183.db2.gz	NNEHKWRSECGYRF-JTQLQIEISA-N	-1	0	314.363	0.551	20	30		DCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588782304	984170943	/nfs/dbraw/zinc/17/09/43/984170943.db2.gz	BVBZMOBCICEADK-VXGBXAGGSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588810316	984266359	/nfs/dbraw/zinc/26/63/59/984266359.db2.gz	ISRWGPASULPZMX-ZETOZRRWSA-N	-1	0	310.350	0.065	20	30		DCEDRM
C=CCCOCC(=O)O[C@@H]1C[C@@H](C(=O)[O-])N(c2cnccn2)C1	ZINC001588810534	984267936	/nfs/dbraw/zinc/26/79/36/984267936.db2.gz	WROKRRFXIWOFKM-NEPJUHHUSA-N	-1	0	321.333	0.644	20	30		DCEDRM
C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-]	ZINC001588814897	984273990	/nfs/dbraw/zinc/27/39/90/984273990.db2.gz	XQDYFMSZCSEPQS-GFCCVEGCSA-N	-1	0	320.345	0.696	20	30		DCEDRM
C=CCN(CC=C)C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588825760	984302151	/nfs/dbraw/zinc/30/21/51/984302151.db2.gz	WXIWSKMEXIXCSR-UHFFFAOYSA-N	-1	0	320.349	0.842	20	30		DCEDRM
C=CCN1CC[C@H](N(C)S(=O)(=O)CC(C)(C)C(=O)[O-])C1=O	ZINC001588839573	984348548	/nfs/dbraw/zinc/34/85/48/984348548.db2.gz	SHZLMGKGCICPBL-JTQLQIEISA-N	-1	0	318.395	0.146	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001588844199	984356531	/nfs/dbraw/zinc/35/65/31/984356531.db2.gz	FAQVEIMYWMSHBQ-UHFFFAOYSA-N	-1	0	318.395	0.243	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2cc(C(=O)[O-])cs2)CC1	ZINC001588844549	984358461	/nfs/dbraw/zinc/35/84/61/984358461.db2.gz	MLXGOFGABZFWTN-UHFFFAOYSA-N	-1	0	323.418	0.866	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2ccc(C(=O)[O-])n2C)CC1	ZINC001588844747	984360234	/nfs/dbraw/zinc/36/02/34/984360234.db2.gz	RUABCUKQSVHTIG-UHFFFAOYSA-N	-1	0	320.393	0.143	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@]1(C2CCCC2)CCNC1=O)C(=O)[O-]	ZINC001588856337	984399088	/nfs/dbraw/zinc/39/90/88/984399088.db2.gz	YETUHAGMHLBAJW-BLLLJJGKSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)[O-]	ZINC001588857374	984402873	/nfs/dbraw/zinc/40/28/73/984402873.db2.gz	XICWDUISDMBHIK-DLOVCJGASA-N	-1	0	300.355	0.309	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-]	ZINC001588860467	984413159	/nfs/dbraw/zinc/41/31/59/984413159.db2.gz	VNAYIOZSROKDSO-MRVPVSSYSA-N	-1	0	321.255	0.825	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccccc1OCC#N)C(=O)[O-]	ZINC001588862213	984417544	/nfs/dbraw/zinc/41/75/44/984417544.db2.gz	RVURUMAJCBFOBB-GFCCVEGCSA-N	-1	0	304.302	0.975	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(NC(=O)NC)c1)C(=O)[O-]	ZINC001588862548	984419031	/nfs/dbraw/zinc/41/90/31/984419031.db2.gz	ZQGPGVPLGDESDT-GFCCVEGCSA-N	-1	0	321.333	0.824	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccc(N)cc1F)C(=O)[O-]	ZINC001588865860	984420543	/nfs/dbraw/zinc/42/05/43/984420543.db2.gz	DRYDFRIPLGPDQH-JTQLQIEISA-N	-1	0	318.326	0.342	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccccc1C=O)C(=O)[O-]	ZINC001588866613	984426881	/nfs/dbraw/zinc/42/68/81/984426881.db2.gz	NNVMYZALWQFHKP-LLVKDONJSA-N	-1	0	313.331	0.433	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588867117	984430462	/nfs/dbraw/zinc/43/04/62/984430462.db2.gz	YYULYCDDCHMPSS-UHFFFAOYSA-N	-1	0	307.306	0.427	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)NC(=O)CO2	ZINC001524677649	1015037945	/nfs/dbraw/zinc/03/79/45/1015037945.db2.gz	LGNOFNBDOWDGET-JTQLQIEISA-N	-1	0	317.301	0.103	20	30		DCEDRM
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588890178	984484734	/nfs/dbraw/zinc/48/47/34/984484734.db2.gz	RMDQRGFCWHAVBL-CYBMUJFWSA-N	-1	0	321.316	0.263	20	30		DCEDRM
C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588897853	984513905	/nfs/dbraw/zinc/51/39/05/984513905.db2.gz	VWEGROLBQRHEAI-XPTSAGLGSA-N	-1	0	323.328	0.418	20	30		DCEDRM
C=CCn1c(C[C@@H](O)C2CC2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588898346	984517931	/nfs/dbraw/zinc/51/79/31/984517931.db2.gz	WFPHWHHSHIZLKK-NWDGAFQWSA-N	-1	0	306.366	0.688	20	30		DCEDRM
C=CCn1c(COCC2CC2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588901518	984524647	/nfs/dbraw/zinc/52/46/47/984524647.db2.gz	WTFZRTLZRPEMNO-LBPRGKRZSA-N	-1	0	322.365	0.681	20	30		DCEDRM
C=CCn1c(N2CC[C@@](OC)(C(=O)[O-])C2)nnc1[C@](C)(O)CC	ZINC001588904068	984526644	/nfs/dbraw/zinc/52/66/44/984526644.db2.gz	GDJHMFQWYAWHKD-CABCVRRESA-N	-1	0	324.381	0.762	20	30		DCEDRM
C=CCn1c(N2CC[C@](F)(C(=O)[O-])C2)nnc1C1(CO)CCC1	ZINC001588904373	984528722	/nfs/dbraw/zinc/52/87/22/984528722.db2.gz	PTSXECILRZXOLJ-OAHLLOKOSA-N	-1	0	324.356	0.881	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001588917907	984568049	/nfs/dbraw/zinc/56/80/49/984568049.db2.gz	IDNODSAKDGKOAD-RYUDHWBXSA-N	-1	0	307.350	0.977	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001588925090	984585285	/nfs/dbraw/zinc/58/52/85/984585285.db2.gz	KVWNVNOCLOCNIN-SNVBAGLBSA-N	-1	0	315.322	0.577	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588927051	984596585	/nfs/dbraw/zinc/59/65/85/984596585.db2.gz	KEBRVQKNKBIQED-XJFOESAGSA-N	-1	0	320.389	0.912	20	30		DCEDRM
CC#CCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC001588930973	984600566	/nfs/dbraw/zinc/60/05/66/984600566.db2.gz	HNIWOLXZHXUARX-UHFFFAOYSA-N	-1	0	318.285	0.249	20	30		DCEDRM
CC(=O)N1CC(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)C1	ZINC001589056846	985167096	/nfs/dbraw/zinc/16/70/96/985167096.db2.gz	JEFXMNUVFARRAC-UHFFFAOYSA-N	-1	0	301.298	0.758	20	30		DCEDRM
C[C@@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)CCCCC#N	ZINC001594525746	986040062	/nfs/dbraw/zinc/04/00/62/986040062.db2.gz	OGETWGGQUDKMPK-GFCCVEGCSA-N	-1	0	317.411	0.491	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCCN(c1ncc(C(=O)[O-])cn1)C1CC1	ZINC001589329605	986164789	/nfs/dbraw/zinc/16/47/89/986164789.db2.gz	QRGJAJVDDBADLG-VIFPVBQESA-N	-1	0	303.322	0.419	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H](CNc1ncc(C(=O)[O-])cn1)C1CC1	ZINC001589329901	986168127	/nfs/dbraw/zinc/16/81/27/986168127.db2.gz	VQQKNZQZMITIAV-KCJUWKMLSA-N	-1	0	303.322	0.641	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001589330099	986170352	/nfs/dbraw/zinc/17/03/52/986170352.db2.gz	YFZQEHNDWLDVAA-QWRGUYRKSA-N	-1	0	317.349	0.667	20	30		DCEDRM
C[C@H](C#N)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001589331783	986191488	/nfs/dbraw/zinc/19/14/88/986191488.db2.gz	OTEXXYRZOQAJMJ-SSDOTTSWSA-N	-1	0	313.291	0.826	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC001589558468	987310145	/nfs/dbraw/zinc/31/01/45/987310145.db2.gz	QHUYADXLCRCSEW-NSHDSACASA-N	-1	0	318.395	0.725	20	30		DCEDRM
CC(C)(C)[C@@](C)(C#N)NC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001589698313	987779876	/nfs/dbraw/zinc/77/98/76/987779876.db2.gz	AILIGEWRAHWCNI-OAHLLOKOSA-N	-1	0	305.334	0.991	20	30		DCEDRM
CC(C)(C)[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001589712636	987847934	/nfs/dbraw/zinc/84/79/34/987847934.db2.gz	CXQUWEIPXKWOIO-KLDSGFLGSA-N	-1	0	323.349	0.518	20	30		DCEDRM
CC(C)(C)[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001589712641	987847960	/nfs/dbraw/zinc/84/79/60/987847960.db2.gz	CXQUWEIPXKWOIO-RVROTUBLSA-N	-1	0	323.349	0.518	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(C#N)CC2)C[C@H]1C(=O)[O-]	ZINC001599849563	988990663	/nfs/dbraw/zinc/99/06/63/988990663.db2.gz	ORFNWNBAIZIUIJ-GHMZBOCLSA-N	-1	0	307.350	0.318	20	30		DCEDRM
CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(CC#Cc2ccccc2)C1	ZINC001597998620	990127290	/nfs/dbraw/zinc/12/72/90/990127290.db2.gz	QUAUFTBBVLQKSS-HOTGVXAUSA-N	-1	0	312.369	0.901	20	30		DCEDRM
CC(C)(NS(=O)(=O)CC1(C#N)CCCCC1)[C@@H](O)C(=O)[O-]	ZINC001590874655	990784932	/nfs/dbraw/zinc/78/49/32/990784932.db2.gz	KUENUYITTPZIPT-JTQLQIEISA-N	-1	0	318.395	0.604	20	30		DCEDRM
COc1ncc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1C#N	ZINC001599733838	991745143	/nfs/dbraw/zinc/74/51/43/991745143.db2.gz	HDJNCWSFQSOJHK-ONGXEEELSA-N	-1	0	320.305	0.261	20	30		DCEDRM
CN(CC(C)(C)S(C)(=O)=O)c1ccc(C(=O)[O-])nc1C#N	ZINC001598426855	991783858	/nfs/dbraw/zinc/78/38/58/991783858.db2.gz	XRFBOCLVFRUEMF-UHFFFAOYSA-N	-1	0	311.363	0.911	20	30		DCEDRM
CN(CCC#N)C(=O)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001598468825	991992403	/nfs/dbraw/zinc/99/24/03/991992403.db2.gz	RQRXYSURZHJINT-UHFFFAOYSA-N	-1	0	311.244	0.974	20	30		DCEDRM
CN(CCc1cccc(C#N)c1)CN1C[C@H](C(=O)[O-])CC1=O	ZINC001598500070	992423181	/nfs/dbraw/zinc/42/31/81/992423181.db2.gz	CKOOMRGHWNTWSP-CQSZACIVSA-N	-1	0	301.346	0.923	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1ccsc1C#N)C(=O)[O-]	ZINC001591463498	992580480	/nfs/dbraw/zinc/58/04/80/992580480.db2.gz	PBEPJIFBCKWYCL-JTQLQIEISA-N	-1	0	323.374	0.965	20	30		DCEDRM
CC(C)N(CCC#N)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001591574971	992785583	/nfs/dbraw/zinc/78/55/83/992785583.db2.gz	WYHTXJNJYUGBCY-UHFFFAOYSA-N	-1	0	304.306	0.869	20	30		DCEDRM
CC(C)NC(=O)OC1CN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001591657136	992987571	/nfs/dbraw/zinc/98/75/71/992987571.db2.gz	IGTXBPBPJZJDOV-UHFFFAOYSA-N	-1	0	304.306	0.975	20	30		DCEDRM
CN1CCCC[C@@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1=O	ZINC001598599110	993549590	/nfs/dbraw/zinc/54/95/90/993549590.db2.gz	RRSYTTGNIJVIIC-LLVKDONJSA-N	-1	0	307.350	0.462	20	30		DCEDRM
COC(=O)[C@]1(O)CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001598723719	995505095	/nfs/dbraw/zinc/50/50/95/995505095.db2.gz	BCXJLDIVLBYFEV-DOMZBBRYSA-N	-1	0	304.302	0.294	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1Cc1cncc(C#N)c1	ZINC001598761305	995780109	/nfs/dbraw/zinc/78/01/09/995780109.db2.gz	QZBKSRRLHZMJTQ-STQMWFEESA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccnc(C#N)c1	ZINC001598776299	995933729	/nfs/dbraw/zinc/93/37/29/995933729.db2.gz	JSLCMFKRYVGLFM-AAEUAGOBSA-N	-1	0	303.318	0.791	20	30		DCEDRM
CCCN(CC(C)(C)O)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001465725090	1016021665	/nfs/dbraw/zinc/02/16/65/1016021665.db2.gz	IZIMUCBJQITDDM-UHFFFAOYSA-N	-1	0	322.365	0.220	20	30		DCEDRM
C[C@]1(CCC(=O)[O-])NC(=O)N(CN2CCC[C@@](C)(C#N)C2)C1=O	ZINC001593742852	996363426	/nfs/dbraw/zinc/36/34/26/996363426.db2.gz	HDUOYJDMTYDEFU-LSDHHAIUSA-N	-1	0	322.365	0.745	20	30		DCEDRM
CC1(C#N)CN(S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])C1	ZINC001593743483	996368688	/nfs/dbraw/zinc/36/86/88/996368688.db2.gz	QRVQFQLOEASDGE-UHFFFAOYSA-N	-1	0	315.738	0.967	20	30		DCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CCO1	ZINC001593743559	996368852	/nfs/dbraw/zinc/36/88/52/996368852.db2.gz	UENSDKJXUCSGAT-LLVKDONJSA-N	-1	0	302.352	0.186	20	30		DCEDRM
CCOCCC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001466296019	1016066757	/nfs/dbraw/zinc/06/67/57/1016066757.db2.gz	QXPAOZHKQPGJAM-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001466522879	1016086417	/nfs/dbraw/zinc/08/64/17/1016086417.db2.gz	ZIXAZQHQBSMPLG-SNVBAGLBSA-N	-1	0	318.333	0.181	20	30		DCEDRM
C[C@@]1(NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCOC1	ZINC001594061948	997857032	/nfs/dbraw/zinc/85/70/32/997857032.db2.gz	QETOMXQSFPVNKG-CYBMUJFWSA-N	-1	0	310.331	0.714	20	30		DCEDRM
CO[C@@H]1CN(C(=O)c2cc(C)c(C#N)cn2)[C@](C)(C(=O)[O-])C1	ZINC001599129231	997910059	/nfs/dbraw/zinc/91/00/59/997910059.db2.gz	FGTVZJRAYAEJKL-NHYWBVRUSA-N	-1	0	303.318	0.966	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1c1ccc(S(N)(=O)=O)cc1C#N	ZINC001594170769	998656043	/nfs/dbraw/zinc/65/60/43/998656043.db2.gz	KNWZRKMPEVDNRE-KCJUWKMLSA-N	-1	0	309.347	0.505	20	30		DCEDRM
COC(=O)c1cccc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1C#N	ZINC001598996545	998785081	/nfs/dbraw/zinc/78/50/81/998785081.db2.gz	UYXGSFYNPYEMPE-VXGBXAGGSA-N	-1	0	318.329	0.612	20	30		DCEDRM
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])[C@@H]1CO	ZINC001594431554	999605979	/nfs/dbraw/zinc/60/59/79/999605979.db2.gz	ATPUUBZUOVGWGW-BXKDBHETSA-N	-1	0	324.358	0.648	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F	ZINC001469733855	1016361370	/nfs/dbraw/zinc/36/13/70/1016361370.db2.gz	VVWRAMPBTUVLKV-BXKDBHETSA-N	-1	0	323.324	0.422	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccnc(OCCO)c1	ZINC001470448708	1016438423	/nfs/dbraw/zinc/43/84/23/1016438423.db2.gz	SPIOJMOCSRCSHU-UHFFFAOYSA-N	-1	0	314.301	0.986	20	30		DCEDRM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]c1cccc(CC#N)n1	ZINC001424747855	1001973723	/nfs/dbraw/zinc/97/37/23/1001973723.db2.gz	WJKRFLBFOYWIQA-LJQANCHMSA-N	-1	0	317.396	0.379	20	30		DCEDRM
Cc1nc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)ccc1C#N	ZINC001471854384	1016673570	/nfs/dbraw/zinc/67/35/70/1016673570.db2.gz	UXTKYOARDROEQE-NSHDSACASA-N	-1	0	311.349	0.870	20	30		DCEDRM
C[C@@H](O)[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccc1F	ZINC001421168365	1003399501	/nfs/dbraw/zinc/39/95/01/1003399501.db2.gz	QGPIQZSDUANENO-PRHODGIISA-N	-1	0	318.308	0.618	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@](C)(O)c2ccccc2)c(C#N)c1=O	ZINC001472695989	1016847356	/nfs/dbraw/zinc/84/73/56/1016847356.db2.gz	BPOHUVIDIUUPCG-HNNXBMFYSA-N	-1	0	300.318	0.265	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@](C)(O)c2cccc(F)c2)c(C#N)c1=O	ZINC001472882657	1016866720	/nfs/dbraw/zinc/86/67/20/1016866720.db2.gz	UBEJLFTYUADJEP-OAHLLOKOSA-N	-1	0	318.308	0.404	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](CNC(=O)[C@@H](C)C#N)C(C)(C)C)c1[O-]	ZINC001407451405	1004659024	/nfs/dbraw/zinc/65/90/24/1004659024.db2.gz	FATWYUOIXXYZRI-WPRPVWTQSA-N	-1	0	321.381	0.844	20	30		DCEDRM
N#CCCN(Cc1ccccn1)Cc1cc(=O)n2[n-]c(N)nc2n1	ZINC001473196916	1016912357	/nfs/dbraw/zinc/91/23/57/1016912357.db2.gz	ODWGIPSLFIQDCN-UHFFFAOYSA-N	-1	0	324.348	0.311	20	30		DCEDRM
C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001473428843	1016931193	/nfs/dbraw/zinc/93/11/93/1016931193.db2.gz	GNBMRYONOUTUGW-FQOARCPFSA-N	-1	0	319.390	0.648	20	30		DCEDRM
CN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1nnn[n-]1	ZINC001417565848	1005844737	/nfs/dbraw/zinc/84/47/37/1005844737.db2.gz	CSEZOLNPPBJLIO-JTQLQIEISA-N	-1	0	311.305	0.087	20	30		DCEDRM
N#C[C@@H]1COCCN1C(=O)c1nc[n-]c(=O)c1Br	ZINC001417643040	1005859015	/nfs/dbraw/zinc/85/90/15/1005859015.db2.gz	RJHAAAYYTHDLOP-ZCFIWIBFSA-N	-1	0	313.111	0.309	20	30		DCEDRM
Cc1cc(=NC(=O)[C@@H]2C[C@@H]2C#N)nc2nc(C(F)(F)F)[n-]n21	ZINC001434848469	1006039211	/nfs/dbraw/zinc/03/92/11/1006039211.db2.gz	GJMVWHFICPCLJB-RNFRBKRXSA-N	-1	0	310.239	0.972	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCCN(C(=O)[O-])CC2)nc1	ZINC001574250251	1163674930	/nfs/dbraw/zinc/67/49/30/1163674930.db2.gz	WCBRYAKNIUQXPA-UHFFFAOYSA-N	-1	0	310.335	0.328	20	30		DCEDRM
Cc1nnc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001441977688	1008746914	/nfs/dbraw/zinc/74/69/14/1008746914.db2.gz	MOQINCRFKVWRCH-UHFFFAOYSA-N	-1	0	306.307	0.009	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CC2CC(F)(F)C2)c(=O)[n-]c1=O	ZINC001453846415	1008758253	/nfs/dbraw/zinc/75/82/53/1008758253.db2.gz	UVLXMIANSZMULY-UHFFFAOYSA-N	-1	0	312.276	0.372	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c(F)c1	ZINC001433665609	1009044030	/nfs/dbraw/zinc/04/40/30/1009044030.db2.gz	RVEDDSCBQNKDEJ-LLVKDONJSA-N	-1	0	302.269	0.424	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCCS(=O)(=O)C1	ZINC001433709607	1009103857	/nfs/dbraw/zinc/10/38/57/1009103857.db2.gz	QADMCTTWUAJNRY-JTQLQIEISA-N	-1	0	309.347	0.274	20	30		DCEDRM
C[C@@H](c1ccncc1)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001442610151	1009521445	/nfs/dbraw/zinc/52/14/45/1009521445.db2.gz	LDKTYZHXGSAIIE-JTQLQIEISA-N	-1	0	313.317	0.435	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN1C[C@@H](C)OC[C@@H]1C	ZINC001434171191	1009632793	/nfs/dbraw/zinc/63/27/93/1009632793.db2.gz	SVJBJYZDIQIMHP-NWDGAFQWSA-N	-1	0	318.377	0.806	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)cc1O	ZINC001434279112	1009718243	/nfs/dbraw/zinc/71/82/43/1009718243.db2.gz	RWDGTHFRZSFHPG-ZFWWWQNUSA-N	-1	0	313.313	0.483	20	30		DCEDRM
COC(=O)N[C@H]1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001434373285	1009852354	/nfs/dbraw/zinc/85/23/54/1009852354.db2.gz	VQTKZSVQBIBIOH-JTQLQIEISA-N	-1	0	304.306	0.538	20	30		DCEDRM
C[C@@H]1CCCC[C@@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434762726	1010248522	/nfs/dbraw/zinc/24/85/22/1010248522.db2.gz	TYKIQPCWENUYSA-PWSUYJOCSA-N	-1	0	319.365	0.698	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2ccc3c(c2)OCCO3)c(C#N)c1=O	ZINC001458086267	1012071830	/nfs/dbraw/zinc/07/18/30/1012071830.db2.gz	WICHPLSYHUUZBW-UHFFFAOYSA-N	-1	0	300.274	0.460	20	30		DCEDRM
N#Cc1cn(C2CN(c3cc(Cl)n[nH]c3=O)C2)c(=O)[n-]c1=O	ZINC001458487724	1012194252	/nfs/dbraw/zinc/19/42/52/1012194252.db2.gz	HUCYNSIILVQUJP-UHFFFAOYSA-N	-1	0	320.696	0.031	20	30		DCEDRM
N#CCc1cccc(NC(=O)c2ccc(-c3nn[nH]n3)cn2)n1	ZINC001558101526	1012321440	/nfs/dbraw/zinc/32/14/40/1012321440.db2.gz	XSPNPUSPROPSAF-UHFFFAOYSA-N	-1	0	306.289	0.975	20	30		DCEDRM
C=C1CCC(C(=O)N(C)CCNCc2nc(=O)n(C)[nH]2)CC1	ZINC001493682408	1019625803	/nfs/dbraw/zinc/62/58/03/1019625803.db2.gz	WMNBNAKYUPKLKJ-UHFFFAOYSA-N	-1	0	307.398	0.403	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c1C#N	ZINC001610588977	1171261150	/nfs/dbraw/zinc/26/11/50/1171261150.db2.gz	URPRTSQLWRPXBA-ZDUSSCGKSA-N	-1	0	307.306	0.081	20	30		DCEDRM
C=C(Br)CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001646047080	1172231212	/nfs/dbraw/zinc/23/12/12/1172231212.db2.gz	HBIXDPDCHXUZCC-LBPRGKRZSA-N	-1	0	319.199	0.756	20	30		DCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1c(C)nn(C)c1C	ZINC000187761384	237356287	/nfs/dbraw/zinc/35/62/87/237356287.db2.gz	JZZYDEWGBQBHRU-UHFFFAOYSA-N	-1	0	308.367	0.926	20	30		DCEDRM
COC[C@@](C)(C#N)NC(=O)CSc1n[n-]c(=S)s1	ZINC000269590740	238261752	/nfs/dbraw/zinc/26/17/52/238261752.db2.gz	MSIFOGLLMMZBDL-SECBINFHSA-N	-1	0	304.422	0.964	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2cn(C)nc2C)nn1CCC#N	ZINC000288539672	238438280	/nfs/dbraw/zinc/43/82/80/238438280.db2.gz	OTYWCDXHTXXRJX-UHFFFAOYSA-N	-1	0	308.367	0.948	20	30		DCEDRM
COCCCO[N-]C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000287993071	219887216	/nfs/dbraw/zinc/88/72/16/219887216.db2.gz	KBZCHUVIQKBWIC-UHFFFAOYSA-N	-1	0	303.318	0.532	20	30		DCEDRM
Cc1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)ccc1C#N	ZINC000566657169	291316900	/nfs/dbraw/zinc/31/69/00/291316900.db2.gz	ZROKAZNTEQGJCZ-AAEUAGOBSA-N	-1	0	324.358	0.635	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000422682120	240178073	/nfs/dbraw/zinc/17/80/73/240178073.db2.gz	BIPAYAZAZVKCQH-OAHLLOKOSA-N	-1	0	301.302	0.820	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000275362990	212291714	/nfs/dbraw/zinc/29/17/14/212291714.db2.gz	XTLWPUKHLWHRSJ-QMMMGPOBSA-N	-1	0	304.274	0.945	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)c1cccc(C)c1C#N)C(=O)[O-]	ZINC000274917694	212032149	/nfs/dbraw/zinc/03/21/49/212032149.db2.gz	AHZZPTPIMQDRFK-GFCCVEGCSA-N	-1	0	324.358	0.967	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C)C(=O)[O-]	ZINC000274887401	212010529	/nfs/dbraw/zinc/01/05/29/212010529.db2.gz	FDAGECXXXZRTOA-NSHDSACASA-N	-1	0	324.362	0.584	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000420588753	533540298	/nfs/dbraw/zinc/54/02/98/533540298.db2.gz	SPUOWGADZWWDLS-WQGACYEGSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=CCNC(=O)Nc1ccc(NC(=O)c2nc(=O)[nH][n-]2)cc1	ZINC000129231935	395919781	/nfs/dbraw/zinc/91/97/81/395919781.db2.gz	POJZLNXIVXFYHI-UHFFFAOYSA-N	-1	0	302.294	0.658	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC(C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000273533525	395928167	/nfs/dbraw/zinc/92/81/67/395928167.db2.gz	RYJARLJLUAVSGR-UHFFFAOYSA-N	-1	0	316.321	0.958	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H]1C#N	ZINC000273741213	395937743	/nfs/dbraw/zinc/93/77/43/395937743.db2.gz	ORSBHKDARXLAIN-NSHDSACASA-N	-1	0	310.331	0.606	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)c1C#N	ZINC000276384374	395990948	/nfs/dbraw/zinc/99/09/48/395990948.db2.gz	XACWBDYEDLFONP-NSHDSACASA-N	-1	0	303.318	0.890	20	30		DCEDRM
CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000159703666	396070482	/nfs/dbraw/zinc/07/04/82/396070482.db2.gz	XTDBEGDRBVUUCS-ZDUSSCGKSA-N	-1	0	309.347	0.829	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000279175342	396156846	/nfs/dbraw/zinc/15/68/46/396156846.db2.gz	HMSQKIOZNBSZPV-SECBINFHSA-N	-1	0	306.369	0.175	20	30		DCEDRM
N#CCCCCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000594682671	396496929	/nfs/dbraw/zinc/49/69/29/396496929.db2.gz	BQLRJEQBJUIWIR-ZYHUDNBSSA-N	-1	0	302.352	0.043	20	30		DCEDRM
CCOC[C@H](NS(=O)(=O)c1ccc(C#N)c(C)c1)C(=O)[O-]	ZINC000290658286	396468955	/nfs/dbraw/zinc/46/89/55/396468955.db2.gz	NOWMZSKIBOPZAX-LBPRGKRZSA-N	-1	0	312.347	0.635	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC[C@H]1C(=O)[O-]	ZINC000290678694	396469633	/nfs/dbraw/zinc/46/96/33/396469633.db2.gz	PVCWJFARVCZWLU-JOYOIKCWSA-N	-1	0	309.347	0.685	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000582420952	396610030	/nfs/dbraw/zinc/61/00/30/396610030.db2.gz	PNVWXFUCICMWLU-VWYCJHECSA-N	-1	0	303.384	0.508	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000560481120	396617105	/nfs/dbraw/zinc/61/71/05/396617105.db2.gz	IYDWZXWRGUVHTL-LLVKDONJSA-N	-1	0	317.411	0.899	20	30		DCEDRM
N#Cc1cc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)cc(N)c1[N+](=O)[O-]	ZINC000595977575	396702228	/nfs/dbraw/zinc/70/22/28/396702228.db2.gz	GZTWLXZWWFKZMC-PFZYVWIYSA-N	-1	0	306.278	0.685	20	30		DCEDRM
C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1	ZINC000595992399	396704621	/nfs/dbraw/zinc/70/46/21/396704621.db2.gz	SEXAZFGHCUSIRC-WBMJQRKESA-N	-1	0	321.377	0.852	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C	ZINC000596027595	396709912	/nfs/dbraw/zinc/70/99/12/396709912.db2.gz	SJLBBLMZWLDIST-UHFFFAOYSA-N	-1	0	305.400	0.899	20	30		DCEDRM
N#CC1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCCCC1	ZINC000597034916	396877152	/nfs/dbraw/zinc/87/71/52/396877152.db2.gz	ULKLXNVNGYVYTR-UHFFFAOYSA-N	-1	0	323.374	0.996	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	ZINC000630437974	397021090	/nfs/dbraw/zinc/02/10/90/397021090.db2.gz	KDQGLEHROJWCQI-SNVBAGLBSA-N	-1	0	306.384	0.351	20	30		DCEDRM
Cn1[n-]c(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1=O	ZINC000597683351	397062318	/nfs/dbraw/zinc/06/23/18/397062318.db2.gz	CWZUTDVXKNLKGL-NSHDSACASA-N	-1	0	313.317	0.686	20	30		DCEDRM
COCC[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000619470330	397135565	/nfs/dbraw/zinc/13/55/65/397135565.db2.gz	JBOVNUFMMPNNBK-GFCCVEGCSA-N	-1	0	312.347	0.521	20	30		DCEDRM
C=CCn1cc(CNC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)nn1	ZINC000626767606	397234942	/nfs/dbraw/zinc/23/49/42/397234942.db2.gz	AGWIVRGSOUAHKV-JQWIXIFHSA-N	-1	0	307.354	0.716	20	30		DCEDRM
CC(C)[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602137995	397316143	/nfs/dbraw/zinc/31/61/43/397316143.db2.gz	HJBWKDMWKZKOEZ-LLVKDONJSA-N	-1	0	304.350	0.715	20	30		DCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCc2ccccc21	ZINC000602056196	397291201	/nfs/dbraw/zinc/29/12/01/397291201.db2.gz	ZGMATYDHDWECGI-AWEZNQCLSA-N	-1	0	324.340	0.966	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])c(Cl)c1	ZINC000388549965	397297216	/nfs/dbraw/zinc/29/72/16/397297216.db2.gz	HVDDGBOWWTUJCK-UHFFFAOYSA-N	-1	0	318.738	0.279	20	30		DCEDRM
C[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC[C@@H]1C	ZINC000602133474	397314009	/nfs/dbraw/zinc/31/40/09/397314009.db2.gz	PFOJMBVBSWKDTL-QWRGUYRKSA-N	-1	0	304.350	0.715	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@H](C3CCCC3)C2)c(=O)[n-]c1=O	ZINC000602170070	397331537	/nfs/dbraw/zinc/33/15/37/397331537.db2.gz	ZQSKNTWEBOIBNN-LBPRGKRZSA-N	-1	0	316.361	0.859	20	30		DCEDRM
C[C@@H]1CC(F)(F)CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602192141	397339804	/nfs/dbraw/zinc/33/98/04/397339804.db2.gz	WUHHEFJIYXKKFD-MRVPVSSYSA-N	-1	0	312.276	0.467	20	30		DCEDRM
CSC1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602200032	397342465	/nfs/dbraw/zinc/34/24/65/397342465.db2.gz	XOZSZJZWAXKKMQ-UHFFFAOYSA-N	-1	0	322.390	0.565	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000593269329	397345191	/nfs/dbraw/zinc/34/51/91/397345191.db2.gz	BBTZJAIMYIZOSI-MNOVXSKESA-N	-1	0	303.384	0.652	20	30		DCEDRM
C[C@@H](CSCCNS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000593273746	397347434	/nfs/dbraw/zinc/34/74/34/397347434.db2.gz	NCVRVHDEMNFMKH-ZJUUUORDSA-N	-1	0	323.440	0.366	20	30		DCEDRM
C=CCN(CCOC)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000613934538	397349449	/nfs/dbraw/zinc/34/94/49/397349449.db2.gz	WSMUVTULIQTJDI-UHFFFAOYSA-N	-1	0	314.363	0.314	20	30		DCEDRM
N#Cc1ccc(N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)nc1	ZINC000593327030	397352760	/nfs/dbraw/zinc/35/27/60/397352760.db2.gz	MZTUJHTUIJHTFI-LBPRGKRZSA-N	-1	0	314.345	0.855	20	30		DCEDRM
N#Cc1cn(CC(=O)N(CC2CC2)CC2CCC2)c(=O)[n-]c1=O	ZINC000602141469	397318865	/nfs/dbraw/zinc/31/88/65/397318865.db2.gz	JZRGWIHJDPJIAZ-UHFFFAOYSA-N	-1	0	316.361	0.859	20	30		DCEDRM
N#Cc1cccc2c1CN(C(=O)C(=O)NCCCC(=O)[O-])C2	ZINC000593776825	397440244	/nfs/dbraw/zinc/44/02/44/397440244.db2.gz	KDLVDLPYEJQMRH-UHFFFAOYSA-N	-1	0	301.302	0.381	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC[C@H]1C(=O)[O-]	ZINC000599616018	397486606	/nfs/dbraw/zinc/48/66/06/397486606.db2.gz	CZOFTPCLXPTDKH-MWLCHTKSSA-N	-1	0	316.317	0.461	20	30		DCEDRM
CCOC(=O)Cn1ccc([N-]S(=O)(=O)[C@H](C#N)CC)n1	ZINC000594462120	397556339	/nfs/dbraw/zinc/55/63/39/397556339.db2.gz	KRFVKCASWZUBTP-VIFPVBQESA-N	-1	0	300.340	0.490	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](CC)NC(=O)OC(C)(C)C	ZINC000495467260	397540186	/nfs/dbraw/zinc/54/01/86/397540186.db2.gz	DNICCRUENIVMPG-SECBINFHSA-N	-1	0	306.384	0.922	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)nc1	ZINC000609354431	397772566	/nfs/dbraw/zinc/77/25/66/397772566.db2.gz	JTYMMUHOXMLLET-CYBMUJFWSA-N	-1	0	305.301	0.986	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])o1	ZINC000367481571	159340890	/nfs/dbraw/zinc/34/08/90/159340890.db2.gz	VRUINVTWAAWDHF-QMMMGPOBSA-N	-1	0	300.292	0.015	20	30		DCEDRM
CCc1nnc(CNS(=O)(=O)N(CC)C[C@H](C)C#N)s1	ZINC000352564734	415227464	/nfs/dbraw/zinc/22/74/64/415227464.db2.gz	HVLWPLGATSXKSQ-SECBINFHSA-N	-1	0	317.440	0.916	20	30		DCEDRM
C#CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000072700218	415414610	/nfs/dbraw/zinc/41/46/10/415414610.db2.gz	ZYVRYTBCEFTJFK-UHFFFAOYSA-N	-1	0	308.359	0.540	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OC)cc1	ZINC000291147777	415830835	/nfs/dbraw/zinc/83/08/35/415830835.db2.gz	ZBCYGJZPUPBJJU-OFFHKIPUSA-N	-1	0	302.330	0.894	20	30		DCEDRM
CSCC[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000290424147	415803694	/nfs/dbraw/zinc/80/36/94/415803694.db2.gz	AJIBLXGDSZIPLA-JTQLQIEISA-N	-1	0	315.376	0.438	20	30		DCEDRM
C=C[C@H](CO)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S	ZINC000290472569	415808751	/nfs/dbraw/zinc/80/87/51/415808751.db2.gz	DDROWXGGQBJKRV-SNVBAGLBSA-N	-1	0	319.386	0.738	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@H]1CNC(=O)C1	ZINC000330734128	416234100	/nfs/dbraw/zinc/23/41/00/416234100.db2.gz	LFZDSRMISGRRHM-MRVPVSSYSA-N	-1	0	315.326	0.390	20	30		DCEDRM
C#CCN(Cc1ccc(F)cc1)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000187036591	416258704	/nfs/dbraw/zinc/25/87/04/416258704.db2.gz	FHLMATMCFVUBQN-UHFFFAOYSA-N	-1	0	320.349	0.991	20	30		DCEDRM
COC(=O)c1coc(S(=O)(=O)[N-]c2c(C#N)cnn2C)c1	ZINC000438247530	416596486	/nfs/dbraw/zinc/59/64/86/416596486.db2.gz	KUPYVBBUKXYANT-UHFFFAOYSA-N	-1	0	310.291	0.472	20	30		DCEDRM
C#CCNC(=O)CN1CCN(C(=O)c2c([O-])cccc2F)CC1	ZINC000491818261	416632809	/nfs/dbraw/zinc/63/28/09/416632809.db2.gz	PWNUXKYTQMHBLR-UHFFFAOYSA-N	-1	0	319.336	0.039	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-]	ZINC000424367454	416638304	/nfs/dbraw/zinc/63/83/04/416638304.db2.gz	MDCHQDVVOHGBLS-GRYCIOLGSA-N	-1	0	317.411	0.898	20	30		DCEDRM
N#Cc1cc(F)c(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(F)c1	ZINC000424472135	416652581	/nfs/dbraw/zinc/65/25/81/416652581.db2.gz	OHUCYGCXKIWUFG-JTQLQIEISA-N	-1	0	316.285	0.524	20	30		DCEDRM
CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(C#N)cc2C)C1	ZINC000368533824	416666715	/nfs/dbraw/zinc/66/67/15/416666715.db2.gz	HJALIYFSZSNQOI-NEPJUHHUSA-N	-1	0	324.358	0.729	20	30		DCEDRM
Cc1cccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1C#N	ZINC000441330308	416667932	/nfs/dbraw/zinc/66/79/32/416667932.db2.gz	FTKXVLRPNSLTKN-UHFFFAOYSA-N	-1	0	319.346	0.349	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC	ZINC000517736012	416820730	/nfs/dbraw/zinc/82/07/30/416820730.db2.gz	DOTVVGAYQPCPIE-UHFFFAOYSA-N	-1	0	301.320	0.866	20	30		DCEDRM
Cc1c([C@@H](NS(=O)(=O)CC2(C#N)CC2)C(=O)[O-])cnn1C	ZINC000518859129	416878899	/nfs/dbraw/zinc/87/88/99/416878899.db2.gz	OTEVVRGQERNXDX-SNVBAGLBSA-N	-1	0	312.351	0.077	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000563572368	416884894	/nfs/dbraw/zinc/88/48/94/416884894.db2.gz	UGHXPJHTUOEEST-QWRGUYRKSA-N	-1	0	303.384	0.509	20	30		DCEDRM
CC[C@H](CCC(=O)[O-])NS(=O)(=O)N(CCC#N)CCOC	ZINC000567740173	417068148	/nfs/dbraw/zinc/06/81/48/417068148.db2.gz	OXHLKCAJYSDEQJ-LLVKDONJSA-N	-1	0	321.399	0.326	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1ccc(C#N)nc1	ZINC000399480115	417110095	/nfs/dbraw/zinc/11/00/95/417110095.db2.gz	XKWXJQIBXBOXCU-SKDRFNHKSA-N	-1	0	311.363	0.977	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CCN(CC(F)(F)F)C2)[n-]c1C#N	ZINC000525943619	417162510	/nfs/dbraw/zinc/16/25/10/417162510.db2.gz	PQOAPQQVKFFVOY-ZETCQYMHSA-N	-1	0	312.255	0.976	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000643167143	417155603	/nfs/dbraw/zinc/15/56/03/417155603.db2.gz	DWTLVKGYVFURNI-UHFFFAOYSA-N	-1	0	320.345	0.710	20	30		DCEDRM
CCOC(=O)[C@@](C)(O)CNS(=O)(=O)CC(C)(C)CC#N	ZINC000451400073	417342322	/nfs/dbraw/zinc/34/23/22/417342322.db2.gz	XQFDLRKEFPRZNM-LBPRGKRZSA-N	-1	0	306.384	0.160	20	30		DCEDRM
CN1C(=O)COc2ccc(C([O-])=C(C#N)C(=O)NC3CC3)cc21	ZINC000528917118	417399263	/nfs/dbraw/zinc/39/92/63/417399263.db2.gz	GUCHNGMSRHXYFL-LLVKDONJSA-N	-1	0	313.313	0.643	20	30		DCEDRM
CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000451952538	417423132	/nfs/dbraw/zinc/42/31/32/417423132.db2.gz	GNPXCBHQJOWROL-ZETCQYMHSA-N	-1	0	317.317	0.639	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1(C(=O)[O-])CCOCC1	ZINC000576204753	417589081	/nfs/dbraw/zinc/58/90/81/417589081.db2.gz	TUDAXONQGMVOES-VXGBXAGGSA-N	-1	0	312.366	0.901	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1	ZINC000576979515	417652981	/nfs/dbraw/zinc/65/29/81/417652981.db2.gz	FESLUXRVPBRFSY-HOMQSWHASA-N	-1	0	312.322	0.980	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000580571366	417713714	/nfs/dbraw/zinc/71/37/14/417713714.db2.gz	HOIOBLTUQSQTQD-GRYCIOLGSA-N	-1	0	317.411	0.755	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)C(=O)[O-]	ZINC000646046759	417862894	/nfs/dbraw/zinc/86/28/94/417862894.db2.gz	WYNHIUOGQGCJQQ-WDEREUQCSA-N	-1	0	307.368	0.131	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)Cc1cc(C)no1)C(=O)[O-]	ZINC000646046725	417863008	/nfs/dbraw/zinc/86/30/08/417863008.db2.gz	RDGHXYUFJFDCCC-JTQLQIEISA-N	-1	0	304.324	0.058	20	30		DCEDRM
C=CCNC(=O)c1ccc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)nc1	ZINC000662896822	417941619	/nfs/dbraw/zinc/94/16/19/417941619.db2.gz	PTXUJOXZWWIYOI-TUAOUCFPSA-N	-1	0	305.334	0.633	20	30		DCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1	ZINC000662905124	417946027	/nfs/dbraw/zinc/94/60/27/417946027.db2.gz	CTEHBBDVWKEOTF-VXGBXAGGSA-N	-1	0	310.350	0.113	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000647505269	418017382	/nfs/dbraw/zinc/01/73/82/418017382.db2.gz	OBOOABNVAHXOSL-VXGBXAGGSA-N	-1	0	312.366	0.217	20	30		DCEDRM
Cc1c(C#N)c(=NC(=O)C(=O)c2cnn(C(C)(C)C)c2)[n-]n1C	ZINC000648433890	418137473	/nfs/dbraw/zinc/13/74/73/418137473.db2.gz	SPPJNUWGDMCEBX-UHFFFAOYSA-N	-1	0	314.349	0.795	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659655187	418138111	/nfs/dbraw/zinc/13/81/11/418138111.db2.gz	FJPWNNWVCDEKFI-VXGBXAGGSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000659662748	418139657	/nfs/dbraw/zinc/13/96/57/418139657.db2.gz	BQEYCZGCTCNRTC-LBPRGKRZSA-N	-1	0	312.366	0.409	20	30		DCEDRM
CC(C)n1cnc(=NC(=O)C(=O)NCC#Cc2ccccc2)[n-]1	ZINC000651600902	418396381	/nfs/dbraw/zinc/39/63/81/418396381.db2.gz	MMQCNQOSXITAGS-UHFFFAOYSA-N	-1	0	311.345	0.387	20	30		DCEDRM
CC(C)C[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)[O-]	ZINC000424373603	262491769	/nfs/dbraw/zinc/49/17/69/262491769.db2.gz	JURQUWZSJDNRFQ-SECBINFHSA-N	-1	0	308.338	0.114	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCNC(=O)[C@H]2C)cc1C#N	ZINC000355650750	271018964	/nfs/dbraw/zinc/01/89/64/271018964.db2.gz	KIJZCBMRZRCRGZ-SSDOTTSWSA-N	-1	0	306.347	0.341	20	30		DCEDRM
C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(C#N)cc1	ZINC000548243329	288124378	/nfs/dbraw/zinc/12/43/78/288124378.db2.gz	RAVPOJFJGPHCGC-SNVBAGLBSA-N	-1	0	312.347	0.404	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C2(C#N)CCCC2)C1=O	ZINC000353132182	279799852	/nfs/dbraw/zinc/79/98/52/279799852.db2.gz	XFLOCPACXDAKAC-NEPJUHHUSA-N	-1	0	321.377	0.897	20	30		DCEDRM
Cc1c([C@H](NS(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])cnn1C	ZINC000554532362	288326609	/nfs/dbraw/zinc/32/66/09/288326609.db2.gz	GSAOPVJKTWFBRM-NSHDSACASA-N	-1	0	324.318	0.297	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C#N)ccc1C(=O)[O-]	ZINC000284934153	301387550	/nfs/dbraw/zinc/38/75/50/301387550.db2.gz	CSQSOGUKMHUXIP-JTQLQIEISA-N	-1	0	310.331	0.606	20	30		DCEDRM
C#CC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1	ZINC001655955801	1173832237	/nfs/dbraw/zinc/83/22/37/1173832237.db2.gz	ATIBNSXKHYESQE-ZETCQYMHSA-N	-1	0	321.738	0.382	20	30		DCEDRM
C[C@H](CC(C)(C)NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000583938370	331476382	/nfs/dbraw/zinc/47/63/82/331476382.db2.gz	UUGFXDXXNNFDOB-ZJUUUORDSA-N	-1	0	305.400	0.944	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCNC(=O)OC(C)(C)C	ZINC000497138272	331678160	/nfs/dbraw/zinc/67/81/60/331678160.db2.gz	TUJGWOZKHWQVAQ-UHFFFAOYSA-N	-1	0	318.395	0.761	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-]	ZINC000566312297	332335593	/nfs/dbraw/zinc/33/55/93/332335593.db2.gz	MDTKSYGFMAJFKE-GXSJLCMTSA-N	-1	0	315.351	0.201	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(C)(C)[C@@H]1C(=O)[O-]	ZINC000574576732	332395040	/nfs/dbraw/zinc/39/50/40/332395040.db2.gz	QMNKAJSYRZSRNG-ZJUUUORDSA-N	-1	0	303.384	0.508	20	30		DCEDRM
CSc1nc(=NC(=O)NCCNC(=O)N(C)C)s[n-]1	ZINC000330716325	334805827	/nfs/dbraw/zinc/80/58/27/334805827.db2.gz	UDGWXMYYFXQVEM-UHFFFAOYSA-N	-1	0	304.401	0.483	20	30		DCEDRM
CCCc1nc(=NC(=O)NC2CCS(=O)(=O)CC2)s[n-]1	ZINC000330853598	334819156	/nfs/dbraw/zinc/81/91/56/334819156.db2.gz	OJBGDGXYIGLVHH-UHFFFAOYSA-N	-1	0	318.424	0.816	20	30		DCEDRM
CSc1nc(=NC(=O)N[C@@H]2CCCS(=O)(=O)C2)s[n-]1	ZINC000330021008	336106547	/nfs/dbraw/zinc/10/65/47/336106547.db2.gz	XCNOSBMSICPVMI-ZCFIWIBFSA-N	-1	0	322.437	0.585	20	30		DCEDRM
CN(C)c1noc(C/N=C(/[O-])c2cnc3n(c2=O)CCS3)n1	ZINC000330131035	336116477	/nfs/dbraw/zinc/11/64/77/336116477.db2.gz	PKKLKEXVCWWEOH-UHFFFAOYSA-N	-1	0	322.350	0.303	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000582540587	337106897	/nfs/dbraw/zinc/10/68/97/337106897.db2.gz	FPUUXIFFYVUZKK-GFCCVEGCSA-N	-1	0	319.317	0.731	20	30		DCEDRM
C=CC[C@@H](CC)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424449788	337833686	/nfs/dbraw/zinc/83/36/86/337833686.db2.gz	MCMIDZDFZRZTPJ-ZJUUUORDSA-N	-1	0	304.368	0.234	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000491475516	339863551	/nfs/dbraw/zinc/86/35/51/339863551.db2.gz	XPSXAMZEDUCXGD-LBPRGKRZSA-N	-1	0	316.313	0.492	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000496595871	340008526	/nfs/dbraw/zinc/00/85/26/340008526.db2.gz	MTYSQGYPHZUXIG-VIFPVBQESA-N	-1	0	302.327	0.283	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)N(C)C(=O)OC(C)(C)C	ZINC000496890730	340015542	/nfs/dbraw/zinc/01/55/42/340015542.db2.gz	FQBXOCFSCFUCCS-JTQLQIEISA-N	-1	0	318.395	0.711	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000540999978	340955347	/nfs/dbraw/zinc/95/53/47/340955347.db2.gz	QQUNSPPRTZCYPH-TUAOUCFPSA-N	-1	0	302.396	0.665	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N(CC(=O)[O-])Cc1ccccc1	ZINC000548541174	341265985	/nfs/dbraw/zinc/26/59/85/341265985.db2.gz	AKVDQROXJKOKIF-UHFFFAOYSA-N	-1	0	311.363	0.663	20	30		DCEDRM
N#CCCCS(=O)(=O)NC[C@H](Oc1ccccc1)C(=O)[O-]	ZINC000549552007	341297558	/nfs/dbraw/zinc/29/75/58/341297558.db2.gz	ZKADBMCUUZNDGH-LBPRGKRZSA-N	-1	0	312.347	0.742	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-]	ZINC000568001142	341644995	/nfs/dbraw/zinc/64/49/95/341644995.db2.gz	OLORHXJBVVKQPZ-ONGXEEELSA-N	-1	0	303.384	0.556	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000577460739	341910782	/nfs/dbraw/zinc/91/07/82/341910782.db2.gz	QWXTYMLDTHAIFT-VIFPVBQESA-N	-1	0	316.360	0.720	20	30		DCEDRM
COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000361821256	534245150	/nfs/dbraw/zinc/24/51/50/534245150.db2.gz	OJZJDDPUYOIBIN-SSDOTTSWSA-N	-1	0	314.285	0.704	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2C#N)oc1C	ZINC000268011485	521916317	/nfs/dbraw/zinc/91/63/17/521916317.db2.gz	RGZQDJWUERPTMA-UHFFFAOYSA-N	-1	0	324.318	0.781	20	30		DCEDRM
N#CCCCS(=O)(=O)NC[C@H](Cc1cccnc1)C(=O)[O-]	ZINC000275338030	534625469	/nfs/dbraw/zinc/62/54/69/534625469.db2.gz	UYEXJKCERMKFKZ-LBPRGKRZSA-N	-1	0	311.363	0.548	20	30		DCEDRM
C=CCNC(=O)CNC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000347889291	526567349	/nfs/dbraw/zinc/56/73/49/526567349.db2.gz	MTWMXXLZGZGJMU-UHFFFAOYSA-N	-1	0	311.363	0.090	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](NC(C)=O)C1CCCC1)C(=O)[O-]	ZINC000263055474	526788187	/nfs/dbraw/zinc/78/81/87/526788187.db2.gz	QEKQEXJURUKFNX-CHWSQXEVSA-N	-1	0	312.366	0.453	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCN1C(=O)CCC)C(=O)[O-]	ZINC000262894764	526789489	/nfs/dbraw/zinc/78/94/89/526789489.db2.gz	DGTQXSYPAJQDAO-VXGBXAGGSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc2c1OCCO2)C(=O)[O-]	ZINC000263163857	526792303	/nfs/dbraw/zinc/79/23/03/526792303.db2.gz	YEFYIBFKRYEAIT-LLVKDONJSA-N	-1	0	307.302	0.843	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(C)c1-n1cccc1)C(=O)[O-]	ZINC000262978302	526792690	/nfs/dbraw/zinc/79/26/90/526792690.db2.gz	KMNTVHRCFVDRJC-GFCCVEGCSA-N	-1	0	318.333	0.596	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)Cc1ccccc1)C(=O)OC	ZINC000360587939	526793456	/nfs/dbraw/zinc/79/34/56/526793456.db2.gz	FUYIDZUEXBMYBN-CYBMUJFWSA-N	-1	0	313.375	0.850	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccsc1C(=O)OC)C(=O)[O-]	ZINC000159573202	527164740	/nfs/dbraw/zinc/16/47/40/527164740.db2.gz	AVILYCMDUGTVAS-SSDOTTSWSA-N	-1	0	317.344	0.290	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000159568210	527165425	/nfs/dbraw/zinc/16/54/25/527165425.db2.gz	WGADNTKNNJXKAV-SNVBAGLBSA-N	-1	0	312.303	0.491	20	30		DCEDRM
C#C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(C)C	ZINC000281456587	527413069	/nfs/dbraw/zinc/41/30/69/527413069.db2.gz	IEMWMOPCQIJJHH-QMMMGPOBSA-N	-1	0	302.377	0.866	20	30		DCEDRM
COCCn1cc([C@@H]2[C@@H](C(=O)NO)CC(=O)N2C(C)(C)C)cn1	ZINC000671995864	547310100	/nfs/dbraw/zinc/31/01/00/547310100.db2.gz	LAXNQFSFDDTGQS-WCQYABFASA-N	-1	0	324.381	0.723	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)CCOC(F)(F)F)C(=O)[O-]	ZINC000685898269	548744011	/nfs/dbraw/zinc/74/40/11/548744011.db2.gz	MFBDXLFOHPHPIS-ZETCQYMHSA-N	-1	0	303.258	0.309	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000818423341	597011157	/nfs/dbraw/zinc/01/11/57/597011157.db2.gz	MJMPBXDLJYHRKS-UHFFFAOYSA-N	-1	0	324.358	0.406	20	30		DCEDRM
CCOC(=O)CCCCCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000736592699	599245093	/nfs/dbraw/zinc/24/50/93/599245093.db2.gz	UCHPEZAKOUBLEX-UHFFFAOYSA-N	-1	0	318.341	0.641	20	30		DCEDRM
COc1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C#N	ZINC000820836649	597347905	/nfs/dbraw/zinc/34/79/05/597347905.db2.gz	BJLYZYQHYNKDPM-ZDUSSCGKSA-N	-1	0	319.317	0.562	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000819111221	597509764	/nfs/dbraw/zinc/50/97/64/597509764.db2.gz	OOYBFAPKBXMGBA-NSHDSACASA-N	-1	0	303.322	0.481	20	30		DCEDRM
CCc1nn(C)c(OC)c1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820498535	597607860	/nfs/dbraw/zinc/60/78/60/597607860.db2.gz	MWKZLUDEALHKJJ-AWEZNQCLSA-N	-1	0	308.338	0.612	20	30		DCEDRM
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC(=O)[O-]	ZINC000819874056	597610947	/nfs/dbraw/zinc/61/09/47/597610947.db2.gz	GQPRZXKPTPTNID-SECBINFHSA-N	-1	0	305.290	0.507	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nnc2n1CCCCC2	ZINC000819847507	597630103	/nfs/dbraw/zinc/63/01/03/597630103.db2.gz	NHXFIHNOVGTMJI-AWEZNQCLSA-N	-1	0	305.338	0.625	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cccnc1-n1ccnc1	ZINC000819841777	597631523	/nfs/dbraw/zinc/63/15/23/597631523.db2.gz	DBOZNLRIIATYLU-OAHLLOKOSA-N	-1	0	313.317	0.888	20	30		DCEDRM
CCCNC(=O)[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820321330	597640575	/nfs/dbraw/zinc/64/05/75/597640575.db2.gz	XDRCPOTUPRAZPV-ABAIWWIYSA-N	-1	0	309.366	0.756	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cccc(OCC(N)=O)c1	ZINC000819842765	597651566	/nfs/dbraw/zinc/65/15/66/597651566.db2.gz	SKAVKBDTVIWQLN-HNNXBMFYSA-N	-1	0	319.317	0.171	20	30		DCEDRM
Cc1nc([C@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2)n[nH]1	ZINC000821152512	597652248	/nfs/dbraw/zinc/65/22/48/597652248.db2.gz	DGZFYMBRKDRNDG-NOZJJQNGSA-N	-1	0	307.310	0.018	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCCCS1(=O)=O	ZINC000819833260	597765363	/nfs/dbraw/zinc/76/53/63/597765363.db2.gz	FQSVCTZWDXVQDO-SKDRFNHKSA-N	-1	0	302.352	0.074	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCNC(=O)c1cccs1	ZINC000819842385	598224175	/nfs/dbraw/zinc/22/41/75/598224175.db2.gz	OQIHXOLUVZBWSU-ZDUSSCGKSA-N	-1	0	309.347	0.599	20	30		DCEDRM
Cc1ccoc1C(=O)NCCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821130201	598228298	/nfs/dbraw/zinc/22/82/98/598228298.db2.gz	BHHYTWUYXCHOLG-HNNXBMFYSA-N	-1	0	321.333	0.829	20	30		DCEDRM
CN1C(=O)COc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc21	ZINC000820614304	598229231	/nfs/dbraw/zinc/22/92/31/598229231.db2.gz	FSOVCZWOAULHML-OAHLLOKOSA-N	-1	0	317.301	0.985	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC000736089661	599882403	/nfs/dbraw/zinc/88/24/03/599882403.db2.gz	ODVHWCRHMZQBSO-LLVKDONJSA-N	-1	0	316.313	0.570	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)NCCSCC(=O)[O-]	ZINC000739142609	599897172	/nfs/dbraw/zinc/89/71/72/599897172.db2.gz	QIAVPOLVJOXOEP-UHFFFAOYSA-N	-1	0	323.378	0.482	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC000739102481	599997329	/nfs/dbraw/zinc/99/73/29/599997329.db2.gz	XVCJIHZUWGJPKC-GFCCVEGCSA-N	-1	0	301.302	0.221	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)COc1cccc(C#N)c1	ZINC000737605571	600008118	/nfs/dbraw/zinc/00/81/18/600008118.db2.gz	OGWFHOQBSLQSSA-UHFFFAOYSA-N	-1	0	306.274	0.023	20	30		DCEDRM
Cn1c(Oc2cccc(CC(=O)[O-])c2)c(C#N)c(=O)n(C)c1=O	ZINC000739014591	600012343	/nfs/dbraw/zinc/01/23/43/600012343.db2.gz	QPSDVFLJOUQPLC-UHFFFAOYSA-N	-1	0	315.285	0.375	20	30		DCEDRM
N#CCc1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000739091095	600174376	/nfs/dbraw/zinc/17/43/76/600174376.db2.gz	FNNHXLGOSYCZIC-VXGBXAGGSA-N	-1	0	302.286	0.955	20	30		DCEDRM
N#Cc1cccc(CNC(=O)COC(=O)CCCNC(=O)[O-])c1	ZINC000739133118	600198258	/nfs/dbraw/zinc/19/82/58/600198258.db2.gz	BSMLUBLUVZIMGH-UHFFFAOYSA-N	-1	0	319.317	0.765	20	30		DCEDRM
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000736868558	600400765	/nfs/dbraw/zinc/40/07/65/600400765.db2.gz	LIOSLVKNBVNOGJ-NEPJUHHUSA-N	-1	0	309.366	0.708	20	30		DCEDRM
CCOC(=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])nc1C	ZINC000737154342	600404180	/nfs/dbraw/zinc/40/41/80/600404180.db2.gz	QMPTWHWJGICEQR-UHFFFAOYSA-N	-1	0	305.290	0.617	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000739076401	600404220	/nfs/dbraw/zinc/40/42/20/600404220.db2.gz	WFBBSQIXVWGVDE-SNVBAGLBSA-N	-1	0	305.290	0.065	20	30		DCEDRM
CC(C)C(=O)Nc1nc(CC(=O)N(CC#N)CC(=O)[O-])cs1	ZINC000736347822	600406513	/nfs/dbraw/zinc/40/65/13/600406513.db2.gz	NUVACWWWHVXGPS-UHFFFAOYSA-N	-1	0	324.362	0.717	20	30		DCEDRM
CCOC(=O)c1c(C)[nH]c(C(=O)N(CC#N)CC(=O)[O-])c1C	ZINC000737148404	600407654	/nfs/dbraw/zinc/40/76/54/600407654.db2.gz	LYEVXLHFFCSYHA-UHFFFAOYSA-N	-1	0	307.306	0.859	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCc1nc(-c2ccncc2)no1	ZINC000739077148	600409181	/nfs/dbraw/zinc/40/91/81/600409181.db2.gz	JAOOAHXRFDUMCB-UHFFFAOYSA-N	-1	0	315.289	0.501	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2cccc(C(=O)[O-])n2)CCN1C1CC1	ZINC000739068226	600461171	/nfs/dbraw/zinc/46/11/71/600461171.db2.gz	CLKPYIOSULVITA-NSHDSACASA-N	-1	0	300.318	0.592	20	30		DCEDRM
N#CCOc1ccc(CNS(=O)(=O)CCCC(=O)[O-])cc1	ZINC000738425604	600498467	/nfs/dbraw/zinc/49/84/67/600498467.db2.gz	HTMTWOOHZSUTJM-UHFFFAOYSA-N	-1	0	312.347	0.873	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)[C@@H]2CCC(=O)NC2)C(=O)[O-])cc1	ZINC000739109707	600613017	/nfs/dbraw/zinc/61/30/17/600613017.db2.gz	MODZVQBHUWTYCX-YPMHNXCESA-N	-1	0	302.286	0.753	20	30		DCEDRM
CCOc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c(C)c1	ZINC000737210100	600763979	/nfs/dbraw/zinc/76/39/79/600763979.db2.gz	JNLQVOJWYUWNCB-UHFFFAOYSA-N	-1	0	312.347	0.993	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccc2cccnc21	ZINC000739085084	600796471	/nfs/dbraw/zinc/79/64/71/600796471.db2.gz	CAOWRCQAURMBAX-UHFFFAOYSA-N	-1	0	305.315	0.834	20	30		DCEDRM
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832905144	601004933	/nfs/dbraw/zinc/00/49/33/601004933.db2.gz	DOEYTSOPIKQSQS-UHFFFAOYSA-N	-1	0	306.278	0.752	20	30		DCEDRM
Cc1oc(S(=O)(=O)N2CCO[C@H](C#N)C2)cc1C(=O)[O-]	ZINC000833028155	601220825	/nfs/dbraw/zinc/22/08/25/601220825.db2.gz	IHVMPOSGCJGGOP-MRVPVSSYSA-N	-1	0	300.292	0.199	20	30		DCEDRM
C#CCN(CC)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000825614224	601242046	/nfs/dbraw/zinc/24/20/46/601242046.db2.gz	JIDVFCBMZYRFKS-OAHLLOKOSA-N	-1	0	300.358	0.980	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)COc1ccccc1C#N	ZINC000831553920	601296639	/nfs/dbraw/zinc/29/66/39/601296639.db2.gz	KFPANACRSSNPEN-OAHLLOKOSA-N	-1	0	306.318	0.933	20	30		DCEDRM
COC(=O)NCCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000831207043	601353772	/nfs/dbraw/zinc/35/37/72/601353772.db2.gz	SXOHVMVIOCYVMS-LBPRGKRZSA-N	-1	0	306.274	0.973	20	30		DCEDRM
CC[C@](C)(CC(=O)[O-])NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000828623204	601470566	/nfs/dbraw/zinc/47/05/66/601470566.db2.gz	KIGHOWRUDGZSTG-SZGUKTLCSA-N	-1	0	323.349	0.663	20	30		DCEDRM
COc1cc(C#N)ccc1OCCN1CCOC[C@H]1C(=O)[O-]	ZINC000831861291	601558630	/nfs/dbraw/zinc/55/86/30/601558630.db2.gz	TVGBDJOMBKHBHY-LBPRGKRZSA-N	-1	0	306.318	0.731	20	30		DCEDRM
N#Cc1ccc([C@H](C(N)=O)N2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000833071257	601569418	/nfs/dbraw/zinc/56/94/18/601569418.db2.gz	DVYZNQUTHBFXTH-TZMCWYRMSA-N	-1	0	303.318	0.260	20	30		DCEDRM
COC(=O)C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC000831147933	601573486	/nfs/dbraw/zinc/57/34/86/601573486.db2.gz	LTBSXJCMHXWGTN-HIFRSBDPSA-N	-1	0	318.329	0.948	20	30		DCEDRM
N#C[C@@H]1COCCN1CCCN1C(=O)CS/C1=C\C(=O)[O-]	ZINC000833062153	601644500	/nfs/dbraw/zinc/64/45/00/601644500.db2.gz	JRYHLZHKUAFCNU-GWHHBTOMSA-N	-1	0	311.363	0.102	20	30		DCEDRM
C[C@@H](CS(=O)(=O)N(CCC#N)Cc1cccnc1)C(=O)[O-]	ZINC000827532090	601771990	/nfs/dbraw/zinc/77/19/90/601771990.db2.gz	GHMIZNZYEBNAQH-NSHDSACASA-N	-1	0	311.363	0.848	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2ccsc2C(=O)[O-])c1=O	ZINC000830419885	601808934	/nfs/dbraw/zinc/80/89/34/601808934.db2.gz	DKTLRXDWQXNCJK-UHFFFAOYSA-N	-1	0	305.315	0.710	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000833066546	601983271	/nfs/dbraw/zinc/98/32/71/601983271.db2.gz	ASRJCSIACHTQKC-UHFFFAOYSA-N	-1	0	315.257	0.435	20	30		DCEDRM
COc1cc([C@H](C#N)NC(=O)CNC(=O)[O-])cc(OC)c1OC	ZINC000737864829	602097664	/nfs/dbraw/zinc/09/76/64/602097664.db2.gz	VTUKHACRZCWFPH-VIFPVBQESA-N	-1	0	323.305	0.661	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)c2ccc(CNC(=O)[O-])o2)c1N	ZINC000831161817	603437784	/nfs/dbraw/zinc/43/77/84/603437784.db2.gz	MYVCSBHBXGOZFS-UHFFFAOYSA-N	-1	0	319.277	0.555	20	30		DCEDRM
C#CCN1CCN(C(=O)COc2cccc(NC(=O)[O-])c2)CC1	ZINC000823456996	603509913	/nfs/dbraw/zinc/50/99/13/603509913.db2.gz	TZBXWTNZRKOAIY-UHFFFAOYSA-N	-1	0	317.345	0.933	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000831156606	603518793	/nfs/dbraw/zinc/51/87/93/603518793.db2.gz	DVCJFWITNFJSSX-CMPLNLGQSA-N	-1	0	317.349	0.918	20	30		DCEDRM
CN(CC#N)CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O	ZINC000828085998	603597297	/nfs/dbraw/zinc/59/72/97/603597297.db2.gz	NBMOGONHUAJDAH-IINYFYTJSA-N	-1	0	323.353	0.148	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(NC2CC2)nc1	ZINC000831087029	603604143	/nfs/dbraw/zinc/60/41/43/603604143.db2.gz	IQYIWNCEBYZEGE-GFCCVEGCSA-N	-1	0	315.333	0.984	20	30		DCEDRM
N#CCN1CCN(C(=O)c2ccc(CNC(=O)[O-])cc2)CC1	ZINC000831102287	603626277	/nfs/dbraw/zinc/62/62/77/603626277.db2.gz	FOSDQJJUSOSSTC-UHFFFAOYSA-N	-1	0	302.334	0.736	20	30		DCEDRM
CC(C)(C(=O)Nc1cnn(CC#N)c1)N1CCN(C(=O)[O-])CC1	ZINC000823744045	603707782	/nfs/dbraw/zinc/70/77/82/603707782.db2.gz	UPAUAWKNMDXSAP-UHFFFAOYSA-N	-1	0	320.353	0.419	20	30		DCEDRM
N#Cc1cccc(OCC(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)c1	ZINC000831153154	603778789	/nfs/dbraw/zinc/77/87/89/603778789.db2.gz	ZDSGHIIDTLZZNS-CYBMUJFWSA-N	-1	0	318.285	0.802	20	30		DCEDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000824961105	603779216	/nfs/dbraw/zinc/77/92/16/603779216.db2.gz	YCUYVZCIYNFYEO-TWLKNAOBSA-N	-1	0	324.337	0.017	20	30		DCEDRM
C#CCN1CCN(C(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1	ZINC000823450852	603789580	/nfs/dbraw/zinc/78/95/80/603789580.db2.gz	JWVGXXVKFZNFNM-NWDGAFQWSA-N	-1	0	309.366	0.267	20	30		DCEDRM
C[C@@H](OC(=O)C1(NC(=O)[O-])CCCC1)C(=O)N(C)CCC#N	ZINC000825543220	603806666	/nfs/dbraw/zinc/80/66/66/603806666.db2.gz	ASROCCPBAIKSFB-SNVBAGLBSA-N	-1	0	311.338	0.871	20	30		DCEDRM
CN(C(=O)[O-])[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1	ZINC000827881919	603841403	/nfs/dbraw/zinc/84/14/03/603841403.db2.gz	IZOUBTSDVBNDGF-LBPRGKRZSA-N	-1	0	307.354	0.326	20	30		DCEDRM
COC[C@@H](C)NC(=S)NN=CC1CCN(C(=O)[O-])CC1	ZINC000828902789	603855670	/nfs/dbraw/zinc/85/56/70/603855670.db2.gz	HOBUFCMKTKYGEB-SECBINFHSA-N	-1	0	302.400	0.861	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)C1CC1	ZINC000825684886	604107148	/nfs/dbraw/zinc/10/71/48/604107148.db2.gz	MERYHXIJNMLONS-GJZGRUSLSA-N	-1	0	323.349	0.728	20	30		DCEDRM
C[C@@H](OC(=O)[C@]1(C)CCN(C(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000825535771	604112868	/nfs/dbraw/zinc/11/28/68/604112868.db2.gz	NQHIMQUOPFFMDP-QMTHXVAHSA-N	-1	0	311.338	0.680	20	30		DCEDRM
COc1ccc(O)c(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000829483528	604155045	/nfs/dbraw/zinc/15/50/45/604155045.db2.gz	IVMBBPUZNBLWAO-SECBINFHSA-N	-1	0	305.290	0.729	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NC[C@H](NC(=O)[O-])c2ccccc2)CCO1	ZINC000831077228	604219861	/nfs/dbraw/zinc/21/98/61/604219861.db2.gz	XQEQZIUXKRZXDB-OLZOCXBDSA-N	-1	0	318.333	0.929	20	30		DCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)[C@@H](C#N)C(=O)Nc1ccccn1	ZINC000824824677	604252647	/nfs/dbraw/zinc/25/26/47/604252647.db2.gz	NILFPDPIYKMBBL-VHSXEESVSA-N	-1	0	304.306	0.975	20	30		DCEDRM
Cn1nc2c(c1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)CCCC2	ZINC000831049869	604275807	/nfs/dbraw/zinc/27/58/07/604275807.db2.gz	BNRDYIDUNHOWBA-SNVBAGLBSA-N	-1	0	317.349	0.627	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)C3(NC(=O)[O-])CC3)CC2)c1	ZINC000831157156	604425521	/nfs/dbraw/zinc/42/55/21/604425521.db2.gz	QZMKTFIFUKWYHG-UHFFFAOYSA-N	-1	0	315.333	0.402	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1	ZINC000386834129	604464651	/nfs/dbraw/zinc/46/46/51/604464651.db2.gz	UWVSTFYSGKELAM-UHFFFAOYSA-N	-1	0	322.386	0.253	20	30		DCEDRM
C=C(C)CN(CC)C(=O)CN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823474547	604594190	/nfs/dbraw/zinc/59/41/90/604594190.db2.gz	PUAQVAMWCHTFKU-QWHCGFSZSA-N	-1	0	313.398	0.768	20	30		DCEDRM
C[C@@H](OC(=O)c1ccc(C#N)nc1)c1cn(CC(=O)[O-])nn1	ZINC000827853913	604703902	/nfs/dbraw/zinc/70/39/02/604703902.db2.gz	PHXUDVVVKCCZRW-MRVPVSSYSA-N	-1	0	301.262	0.547	20	30		DCEDRM
CC(N=Nc1ccc([N+](=O)[O-])cn1)c1cn(CC(=O)[O-])nn1	ZINC000825808904	604785050	/nfs/dbraw/zinc/78/50/50/604785050.db2.gz	IXJPNGDRYJQHTK-UHFFFAOYSA-N	-1	0	305.254	0.502	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)cc1Cl	ZINC000740318322	604949829	/nfs/dbraw/zinc/94/98/29/604949829.db2.gz	XQXVKNVBDMVQND-UHFFFAOYSA-N	-1	0	322.708	0.629	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000833370154	605061015	/nfs/dbraw/zinc/06/10/15/605061015.db2.gz	ITFMRRNIKNTALX-QMMMGPOBSA-N	-1	0	305.377	0.909	20	30		DCEDRM
C=CCOc1ccc(/C=C\C(=O)NC[C@H](O)C(=O)[O-])cc1OC	ZINC000833377877	605094833	/nfs/dbraw/zinc/09/48/33/605094833.db2.gz	PZMJQTVMVRHBJL-HWPRWLFBSA-N	-1	0	321.329	0.835	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)c1C#N	ZINC000830511652	605116545	/nfs/dbraw/zinc/11/65/45/605116545.db2.gz	KVINOFSKOLQDIZ-JTQLQIEISA-N	-1	0	316.317	0.674	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)NCCN(C)C(=O)[O-]	ZINC000829838970	605208402	/nfs/dbraw/zinc/20/84/02/605208402.db2.gz	AEHMBPQYQYRFQM-UHFFFAOYSA-N	-1	0	304.306	0.531	20	30		DCEDRM
C=CCNC(=O)CNC(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC000833377415	605212657	/nfs/dbraw/zinc/21/26/57/605212657.db2.gz	WAGBXEJILYKJQS-UHFFFAOYSA-N	-1	0	321.333	0.251	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000833378014	605288048	/nfs/dbraw/zinc/28/80/48/605288048.db2.gz	GAIVLCNDEXEEFG-SNVBAGLBSA-N	-1	0	304.368	0.093	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1	ZINC000831102357	605361117	/nfs/dbraw/zinc/36/11/17/605361117.db2.gz	HPMDBQKBGKBJBP-STQMWFEESA-N	-1	0	324.381	0.107	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC000833366143	605418064	/nfs/dbraw/zinc/41/80/64/605418064.db2.gz	IFBGGRZOASESQG-UHFFFAOYSA-N	-1	0	301.320	0.468	20	30		DCEDRM
CC(C[C@@H]1CCCN1C(=O)[O-])=NN[C@@H]1CCS(=O)(=O)C1	ZINC000824759177	605457039	/nfs/dbraw/zinc/45/70/39/605457039.db2.gz	JEKMKFDNIHHJNO-MNOVXSKESA-N	-1	0	303.384	0.672	20	30		DCEDRM
C=CCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833374883	605610073	/nfs/dbraw/zinc/61/00/73/605610073.db2.gz	LHARSDBWLSWTEN-VHSXEESVSA-N	-1	0	305.352	0.231	20	30		DCEDRM
COC[C@H](C#N)OC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000833882433	605640277	/nfs/dbraw/zinc/64/02/77/605640277.db2.gz	NWPINNRBMZSEPW-JTQLQIEISA-N	-1	0	323.309	0.288	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833374411	605649975	/nfs/dbraw/zinc/64/99/75/605649975.db2.gz	ZQTSAKBNEQDBEJ-UTUOFQBUSA-N	-1	0	313.350	0.832	20	30		DCEDRM
C=CCOCCCC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833375520	605662610	/nfs/dbraw/zinc/66/26/10/605662610.db2.gz	CPHAOLHRSXIUGK-NWDGAFQWSA-N	-1	0	313.350	0.834	20	30		DCEDRM
Cc1onc(CC(=O)N2C[C@H](CNC(=O)[O-])C[C@@H]2C)c1C#N	ZINC000833937652	605697798	/nfs/dbraw/zinc/69/77/98/605697798.db2.gz	YOJVKPFZTDLKQU-WPRPVWTQSA-N	-1	0	306.322	0.902	20	30		DCEDRM
N#Cc1ncn(CC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)n1	ZINC000831161628	605752835	/nfs/dbraw/zinc/75/28/35/605752835.db2.gz	HDERSICLWZRZEZ-LLVKDONJSA-N	-1	0	314.305	0.275	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)CNC(=O)[O-]	ZINC000833901707	605820619	/nfs/dbraw/zinc/82/06/19/605820619.db2.gz	NAOONERBGYVBOW-VIFPVBQESA-N	-1	0	318.333	0.825	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(C(=O)[O-])no1	ZINC000833534091	605824387	/nfs/dbraw/zinc/82/43/87/605824387.db2.gz	SEOAIENRQBNZAW-XLKFXECMSA-N	-1	0	323.305	0.973	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCC[C@@H](NC(=O)[O-])C2)cc1	ZINC000833972882	605835798	/nfs/dbraw/zinc/83/57/98/605835798.db2.gz	IFJISHARLYVNGP-OLZOCXBDSA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#Cc1ccc(CON=C(N)[C@@H]2COCCN2C(=O)[O-])cc1	ZINC000833972599	605924348	/nfs/dbraw/zinc/92/43/48/605924348.db2.gz	CDBPTMXMIKRMRZ-LBPRGKRZSA-N	-1	0	304.306	0.936	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c(Cl)c1	ZINC000833973630	605940628	/nfs/dbraw/zinc/94/06/28/605940628.db2.gz	AXGLQCUWYCXOMV-UHFFFAOYSA-N	-1	0	322.708	0.629	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000831117697	605946433	/nfs/dbraw/zinc/94/64/33/605946433.db2.gz	CZIZAQRISPAQNZ-JTQLQIEISA-N	-1	0	313.310	0.728	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2CCCN2C(=O)[O-])cc1	ZINC000833972522	605981350	/nfs/dbraw/zinc/98/13/50/605981350.db2.gz	DNOMWRYKFCXKMA-UHFFFAOYSA-N	-1	0	302.290	0.415	20	30		DCEDRM
N#CCN1CCC(OC(=O)c2cnc(NC(=O)[O-])cn2)CC1	ZINC000833967935	606016376	/nfs/dbraw/zinc/01/63/76/606016376.db2.gz	VTSFUEVGLYWPBR-UHFFFAOYSA-N	-1	0	305.294	0.711	20	30		DCEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1	ZINC000820691803	607217145	/nfs/dbraw/zinc/21/71/45/607217145.db2.gz	ZOFQHBUXNBICPC-NOZJJQNGSA-N	-1	0	315.341	0.047	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)n1ccc(C(F)(F)F)n1	ZINC000870329626	667731721	/nfs/dbraw/zinc/73/17/21/667731721.db2.gz	JJSQAEAMXYNIAH-QMMMGPOBSA-N	-1	0	323.296	0.932	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2O)C1	ZINC000939394946	665570064	/nfs/dbraw/zinc/57/00/64/665570064.db2.gz	AZKTXSCAFDKOEN-MNOVXSKESA-N	-1	0	302.334	0.620	20	30		DCEDRM
C[C@H]1CO[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)C1	ZINC000892412434	658355404	/nfs/dbraw/zinc/35/54/04/658355404.db2.gz	ZGJCRUFMMYFLNC-MFKMUULPSA-N	-1	0	308.359	0.929	20	30		DCEDRM
C=C(Cl)CN1CC([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000970060858	658410150	/nfs/dbraw/zinc/41/01/50/658410150.db2.gz	SFPRFPNIVVEKPD-ZETCQYMHSA-N	-1	0	313.745	0.085	20	30		DCEDRM
C=C(C)CN1CCO[C@]2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)C1	ZINC000972343553	658597451	/nfs/dbraw/zinc/59/74/51/658597451.db2.gz	PDSHRLBXMBGKMJ-MRXNPFEDSA-N	-1	0	320.393	0.917	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(CS(C)(=O)=O)cc1	ZINC000092461992	658633560	/nfs/dbraw/zinc/63/35/60/658633560.db2.gz	LXLSMUPUAXRNQI-UHFFFAOYSA-N	-1	0	311.359	0.944	20	30		DCEDRM
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000328267253	659532863	/nfs/dbraw/zinc/53/28/63/659532863.db2.gz	MWGSUDJPEHLBTE-UHFFFAOYSA-N	-1	0	324.402	0.927	20	30		DCEDRM
CS(C)(=O)=NS(=O)(=O)[N-]Cc1cc(C#N)ccc1F	ZINC000866883259	659744813	/nfs/dbraw/zinc/74/48/13/659744813.db2.gz	NTAYLSOKDYUAED-UHFFFAOYSA-N	-1	0	305.356	0.759	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC000983217782	661791779	/nfs/dbraw/zinc/79/17/79/661791779.db2.gz	VFPLGWGNIYGJEI-SCZZXKLOSA-N	-1	0	305.338	0.162	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)c1[O-]	ZINC000940767684	665844489	/nfs/dbraw/zinc/84/44/89/665844489.db2.gz	KIAWVEXIIRPXNT-UHFFFAOYSA-N	-1	0	316.361	0.512	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1c(C)nn2cccnc12	ZINC000727953745	662324529	/nfs/dbraw/zinc/32/45/29/662324529.db2.gz	NNXHHTMCZWXGBW-SNVBAGLBSA-N	-1	0	301.306	0.123	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000022366954	662493235	/nfs/dbraw/zinc/49/32/35/662493235.db2.gz	FWGSXAUKKVQKJW-JTQLQIEISA-N	-1	0	324.358	0.353	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CC[C@@H](NCC#N)[C@@H]2C)cc1=O	ZINC000986503104	662594757	/nfs/dbraw/zinc/59/47/57/662594757.db2.gz	QFFDXFHSKCJCSP-GXTWGEPZSA-N	-1	0	319.409	0.477	20	30		DCEDRM
CCCC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21	ZINC000738579360	662643471	/nfs/dbraw/zinc/64/34/71/662643471.db2.gz	MMEBGJAOQTVTHW-UHFFFAOYSA-N	-1	0	324.358	0.638	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000926530667	668411262	/nfs/dbraw/zinc/41/12/62/668411262.db2.gz	BSUXVCAKYZVHDO-UHFFFAOYSA-N	-1	0	301.295	0.452	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000729886998	662911951	/nfs/dbraw/zinc/91/19/51/662911951.db2.gz	PHMIJQWGNVTTNJ-UHFFFAOYSA-N	-1	0	315.347	0.711	20	30		DCEDRM
COC1(C(=O)N(O)Cc2ccccc2Cl)CS(=O)(=O)C1	ZINC000900679600	663271189	/nfs/dbraw/zinc/27/11/89/663271189.db2.gz	SFLAUZMXJVBXPC-UHFFFAOYSA-N	-1	0	319.766	0.871	20	30		DCEDRM
CC(C)n1cncc1/C=C/C(=O)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000901511174	663348980	/nfs/dbraw/zinc/34/89/80/663348980.db2.gz	RBXYJVGUWGKFFI-AATRIKPKSA-N	-1	0	318.333	0.463	20	30		DCEDRM
N#Cc1cc(F)ccc1N1CCN(C(=O)COCC(=O)[O-])CC1	ZINC000902485166	663417018	/nfs/dbraw/zinc/41/70/18/663417018.db2.gz	QEWAIUVCSDAXCC-UHFFFAOYSA-N	-1	0	321.308	0.447	20	30		DCEDRM
C=CCC1(C(=O)N(CCC(=O)OC)CC(=O)[O-])CCOCC1	ZINC000902716695	663429629	/nfs/dbraw/zinc/42/96/29/663429629.db2.gz	VAPDWRSYKGPKIS-UHFFFAOYSA-N	-1	0	313.350	0.836	20	30		DCEDRM
N#Cc1cncc(Cn2cc(C[N-]C(=O)C(F)(F)F)nn2)c1	ZINC000905837525	663582997	/nfs/dbraw/zinc/58/29/97/663582997.db2.gz	LYHIGUNBWFWOEK-UHFFFAOYSA-N	-1	0	310.239	0.772	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2ccc(OC)nc2)C1	ZINC000906006855	663595214	/nfs/dbraw/zinc/59/52/14/663595214.db2.gz	KRNKDVRQXHETHA-UHFFFAOYSA-N	-1	0	312.347	0.742	20	30		DCEDRM
C=CCN([C@H](C)COC)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000907039425	663662670	/nfs/dbraw/zinc/66/26/70/663662670.db2.gz	PVQOIHJWNRUZDP-SNVBAGLBSA-N	-1	0	316.379	0.935	20	30		DCEDRM
C=CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000908751023	663768268	/nfs/dbraw/zinc/76/82/68/663768268.db2.gz	MGFHVMCKDHYIMK-MNOVXSKESA-N	-1	0	303.380	0.545	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000908768688	663768868	/nfs/dbraw/zinc/76/88/68/663768868.db2.gz	MRDUKUBVUSWCHX-STQMWFEESA-N	-1	0	313.398	0.768	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)NCCN1CCOC(C)(C)C1)C(=O)[O-]	ZINC000908914315	663774127	/nfs/dbraw/zinc/77/41/27/663774127.db2.gz	NXPFQPZIFHNZJI-LBPRGKRZSA-N	-1	0	313.398	0.816	20	30		DCEDRM
C#CCSCCNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909051969	663779805	/nfs/dbraw/zinc/77/98/05/663779805.db2.gz	JTGITXXTYYLPPS-GHMZBOCLSA-N	-1	0	300.380	0.532	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000909239185	663788723	/nfs/dbraw/zinc/78/87/23/663788723.db2.gz	SPAZBEZWAKGTBA-KWBADKCTSA-N	-1	0	300.380	0.837	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCc2cnn(C)c2C1)C(=O)[O-]	ZINC000909772682	663801018	/nfs/dbraw/zinc/80/10/18/663801018.db2.gz	UVTAGOKZQWXWRV-JQWIXIFHSA-N	-1	0	307.350	0.297	20	30		DCEDRM
C#CC[C@H](NC(=O)CCCn1c(C)cc(=O)cc1C)C(=O)[O-]	ZINC000910051718	663836976	/nfs/dbraw/zinc/83/69/76/663836976.db2.gz	ZGVAYDLAICSGSN-AWEZNQCLSA-N	-1	0	304.346	0.838	20	30		DCEDRM
C#CC[C@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)[O-]	ZINC000910053054	663837356	/nfs/dbraw/zinc/83/73/56/663837356.db2.gz	NPHQISGBMJXHOV-LBPRGKRZSA-N	-1	0	306.293	0.077	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccccc1N1CCOCC1)C(=O)[O-]	ZINC000910053829	663837812	/nfs/dbraw/zinc/83/78/12/663837812.db2.gz	KBAYMDUSGRAHLE-ZDUSSCGKSA-N	-1	0	302.330	0.730	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(N2CCNC2=O)ccc1F)C(=O)[O-]	ZINC000910054037	663837866	/nfs/dbraw/zinc/83/78/66/663837866.db2.gz	HVMUTKAUIQZQSS-GFCCVEGCSA-N	-1	0	319.292	0.562	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1)C(=O)[O-]	ZINC000910054460	663838018	/nfs/dbraw/zinc/83/80/18/663838018.db2.gz	OQSJNEHMQUDCLU-XQQFMLRXSA-N	-1	0	308.378	0.864	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@]1(c2ccc(OC)cc2)C[C@H](O)C1)C(=O)[O-]	ZINC000910050346	663840919	/nfs/dbraw/zinc/84/09/19/663840919.db2.gz	IJKYQZLNOJXKLV-JDFRZJQESA-N	-1	0	317.341	0.680	20	30		DCEDRM
C=C[C@H](O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-]	ZINC000911148750	663993371	/nfs/dbraw/zinc/99/33/71/663993371.db2.gz	ITCSAQXBFQSDMF-ZDUSSCGKSA-N	-1	0	306.318	0.707	20	30		DCEDRM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(C#N)ccc1O	ZINC000912525733	664183937	/nfs/dbraw/zinc/18/39/37/664183937.db2.gz	DIHKZHGOYWGDRU-UHFFFAOYSA-N	-1	0	322.302	0.574	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]N1C(=O)[C@H](C)N(C)C1=O	ZINC000912824425	664233455	/nfs/dbraw/zinc/23/34/55/664233455.db2.gz	OYAGNSYERXBVFM-VIFPVBQESA-N	-1	0	304.306	0.574	20	30		DCEDRM
N#CCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000350831629	664711024	/nfs/dbraw/zinc/71/10/24/664711024.db2.gz	MUSDREFEHXKRSE-UHFFFAOYSA-N	-1	0	303.290	0.273	20	30		DCEDRM
CS(=O)(=O)CCSCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000730465860	664761325	/nfs/dbraw/zinc/76/13/25/664761325.db2.gz	CEFYPADABRFVNG-UHFFFAOYSA-N	-1	0	312.376	0.584	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(N)c([N+](=O)[O-])c1	ZINC000916870229	665098090	/nfs/dbraw/zinc/09/80/90/665098090.db2.gz	GTNDGEWJYCDDBT-SNVBAGLBSA-N	-1	0	320.305	0.652	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC000917002700	665108105	/nfs/dbraw/zinc/10/81/05/665108105.db2.gz	OQWOUPQGRXUOSU-STQMWFEESA-N	-1	0	315.329	0.873	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccnc(-n3ccnc3)c2)[n-]c1C#N	ZINC000918782904	665183290	/nfs/dbraw/zinc/18/32/90/665183290.db2.gz	XDUPVWDCDCCGOS-UHFFFAOYSA-N	-1	0	304.273	0.986	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C	ZINC000733677287	666796518	/nfs/dbraw/zinc/79/65/18/666796518.db2.gz	NKQIUMSKKYQVFE-UHFFFAOYSA-N	-1	0	311.363	0.555	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc2nnc(C)n2c1	ZINC000733678232	666797142	/nfs/dbraw/zinc/79/71/42/666797142.db2.gz	VYJSGZPBCSBQLC-GFCCVEGCSA-N	-1	0	315.333	0.513	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000861715182	666964536	/nfs/dbraw/zinc/96/45/36/666964536.db2.gz	JZVHYNNXUJCOCF-MNOVXSKESA-N	-1	0	312.391	0.038	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1	ZINC000788070714	666991304	/nfs/dbraw/zinc/99/13/04/666991304.db2.gz	UYEJGNXXYBKZRD-UHFFFAOYSA-N	-1	0	303.365	0.873	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)[O-]	ZINC000863419912	667141699	/nfs/dbraw/zinc/14/16/99/667141699.db2.gz	HRENEJHEILNWIE-ZJUUUORDSA-N	-1	0	311.787	0.928	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000863421254	667142463	/nfs/dbraw/zinc/14/24/63/667142463.db2.gz	QARQPNOASGNABU-QMMMGPOBSA-N	-1	0	307.759	0.603	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccccc2C#N)C1	ZINC000863429541	667143055	/nfs/dbraw/zinc/14/30/55/667143055.db2.gz	FPAUWTMDYNRBGO-ZDUSSCGKSA-N	-1	0	310.331	0.422	20	30		DCEDRM
C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)CC[C@H]1C(=O)[O-]	ZINC000863735065	667173732	/nfs/dbraw/zinc/17/37/32/667173732.db2.gz	YSRYDNGGVBTXNJ-JOYOIKCWSA-N	-1	0	323.374	0.753	20	30		DCEDRM
CCCCSCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863934054	667195080	/nfs/dbraw/zinc/19/50/80/667195080.db2.gz	CPTGFZWOEHHALX-UHFFFAOYSA-N	-1	0	322.390	0.737	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C(F)(F)F)ncn1)C(=O)[O-]	ZINC000864145065	667219322	/nfs/dbraw/zinc/21/93/22/667219322.db2.gz	FLZVUQRJEMFFCR-MRVPVSSYSA-N	-1	0	319.239	0.881	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)[O-]	ZINC000864184356	667222700	/nfs/dbraw/zinc/22/27/00/667222700.db2.gz	QAIVOLWLHCYBEG-IUCAKERBSA-N	-1	0	306.771	0.620	20	30		DCEDRM
CCN(CC)C(=O)CCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122494714	667643231	/nfs/dbraw/zinc/64/32/31/667643231.db2.gz	SJUOQFNJZIAGII-LLVKDONJSA-N	-1	0	304.350	0.960	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2(F)CCOCC2)cc1	ZINC000870111272	667711461	/nfs/dbraw/zinc/71/14/61/667711461.db2.gz	QMFLPRMANPCCGE-UHFFFAOYSA-N	-1	0	312.322	0.882	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000838848513	667713569	/nfs/dbraw/zinc/71/35/69/667713569.db2.gz	WDOKQZJLHPACMZ-UHFFFAOYSA-N	-1	0	302.333	0.242	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)ncc1C#N	ZINC000838853699	667714179	/nfs/dbraw/zinc/71/41/79/667714179.db2.gz	JLNKBIYQFSXIJM-NSHDSACASA-N	-1	0	309.347	0.500	20	30		DCEDRM
CCO[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)[C@H]1CCOC1	ZINC000870244437	667725139	/nfs/dbraw/zinc/72/51/39/667725139.db2.gz	YTGBTKURNXDSCH-MJVIPROJSA-N	-1	0	305.334	0.753	20	30		DCEDRM
COC(=O)[C@@H]1O[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)C[C@H]1C	ZINC000870690489	667752060	/nfs/dbraw/zinc/75/20/60/667752060.db2.gz	GWRLICSKDFKLGQ-OASPWFOLSA-N	-1	0	304.302	0.935	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C(C)(C)C)CC1	ZINC000870831020	667764872	/nfs/dbraw/zinc/76/48/72/667764872.db2.gz	MCNHJEWDKQUINN-VIFPVBQESA-N	-1	0	302.396	0.702	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cc(OC(F)F)n(C)n2)CC1	ZINC000870835939	667765352	/nfs/dbraw/zinc/76/53/52/667765352.db2.gz	ODGWIBHFELPPKH-UHFFFAOYSA-N	-1	0	321.305	0.800	20	30		DCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)NCCOC)c1	ZINC000744027469	667819124	/nfs/dbraw/zinc/81/91/24/667819124.db2.gz	VSNRBNAMZIHANG-GFCCVEGCSA-N	-1	0	303.318	0.131	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000871989475	667863410	/nfs/dbraw/zinc/86/34/10/667863410.db2.gz	KZZYUEJCYKQSIZ-UHFFFAOYSA-N	-1	0	315.347	0.947	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)Cc2ccc(C#N)cc2)cn1	ZINC000749215430	667948793	/nfs/dbraw/zinc/94/87/93/667948793.db2.gz	AQPOTTROCOCDTB-UHFFFAOYSA-N	-1	0	318.358	0.822	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1	ZINC000750648248	667983879	/nfs/dbraw/zinc/98/38/79/667983879.db2.gz	NAUUAIFPAKYYST-UHFFFAOYSA-N	-1	0	324.402	0.998	20	30		DCEDRM
Cc1cc(C)c(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)o1	ZINC000750707468	667985171	/nfs/dbraw/zinc/98/51/71/667985171.db2.gz	DXZDMUDMLIFMMV-LLVKDONJSA-N	-1	0	324.358	0.476	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cc1C(N)=O	ZINC000751215738	667997988	/nfs/dbraw/zinc/99/79/88/667997988.db2.gz	TZTSAKNAQYNVGK-UHFFFAOYSA-N	-1	0	320.330	0.502	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000751293282	667999149	/nfs/dbraw/zinc/99/91/49/667999149.db2.gz	ACEALIYPNOBJPO-UHFFFAOYSA-N	-1	0	312.264	0.721	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)c1cnc([O-])n(C)c1=O	ZINC000751591651	668004808	/nfs/dbraw/zinc/00/48/08/668004808.db2.gz	VHVXCJGEWDCIIV-UHFFFAOYSA-N	-1	0	317.276	0.889	20	30		DCEDRM
C=CCONC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1	ZINC000874403217	668181152	/nfs/dbraw/zinc/18/11/52/668181152.db2.gz	QIKYXBDOWDTMJW-QWRGUYRKSA-N	-1	0	308.338	0.737	20	30		DCEDRM
O=C([O-])c1ccc(N=NC2CCC3(CC2)NC(=O)NC3=O)nc1	ZINC000763368263	668407413	/nfs/dbraw/zinc/40/74/13/668407413.db2.gz	KPGAOPWUIROVCT-UHFFFAOYSA-N	-1	0	317.305	0.700	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1nccn2cc(C)nc12	ZINC000763934175	668426910	/nfs/dbraw/zinc/42/69/10/668426910.db2.gz	XXZDGNULVSUCAH-LLVKDONJSA-N	-1	0	315.333	0.513	20	30		DCEDRM
C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(=O)[N-]OC	ZINC000927209180	668453966	/nfs/dbraw/zinc/45/39/66/668453966.db2.gz	YGQWMCUNUCKXMB-UHFFFAOYSA-N	-1	0	302.334	0.933	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2cccc3nonc32)n1	ZINC000765095124	668475590	/nfs/dbraw/zinc/47/55/90/668475590.db2.gz	JOJITYMPYUDPCW-UHFFFAOYSA-N	-1	0	304.291	0.629	20	30		DCEDRM
COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000768209814	668602059	/nfs/dbraw/zinc/60/20/59/668602059.db2.gz	JXASXBAEXYOQMG-UHFFFAOYSA-N	-1	0	312.347	0.281	20	30		DCEDRM
O=C([O-])Cn1cc(CN=Nc2ncnc3sccc32)nn1	ZINC000768484179	668611847	/nfs/dbraw/zinc/61/18/47/668611847.db2.gz	XSTHSJCSFQIOCN-UHFFFAOYSA-N	-1	0	303.307	0.813	20	30		DCEDRM
COc1nc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc(=O)[n-]1	ZINC000770516053	668698197	/nfs/dbraw/zinc/69/81/97/668698197.db2.gz	GNNDTHSEYLSWQH-AWEZNQCLSA-N	-1	0	322.321	0.402	20	30		DCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000770603994	668702201	/nfs/dbraw/zinc/70/22/01/668702201.db2.gz	NWCWTCZMFJACME-UHFFFAOYSA-N	-1	0	311.363	0.905	20	30		DCEDRM
C[S@@](=O)c1cccc(C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000770910028	668722427	/nfs/dbraw/zinc/72/24/27/668722427.db2.gz	XYXGQFOCHOLWJH-LJQANCHMSA-N	-1	0	314.388	0.787	20	30		DCEDRM
COC(=O)Cn1cc(C(C)=NNc2cccc(C(=O)[O-])c2)nn1	ZINC000772830772	668786414	/nfs/dbraw/zinc/78/64/14/668786414.db2.gz	MQUYWNAMKWSODA-UHFFFAOYSA-N	-1	0	317.305	0.985	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC000773795182	668813454	/nfs/dbraw/zinc/81/34/54/668813454.db2.gz	NYTIUKIVSQKAAZ-UHFFFAOYSA-N	-1	0	314.388	0.846	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2	ZINC000773905116	668816363	/nfs/dbraw/zinc/81/63/63/668816363.db2.gz	ZKXKCSNOJMALEX-UHFFFAOYSA-N	-1	0	323.370	0.856	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000776122167	668871205	/nfs/dbraw/zinc/87/12/05/668871205.db2.gz	LYLSBTAUKAJKNJ-UHFFFAOYSA-N	-1	0	307.331	0.687	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])CCCC1	ZINC000776690131	668879989	/nfs/dbraw/zinc/87/99/89/668879989.db2.gz	MXOPZOOMDPJIKQ-LLVKDONJSA-N	-1	0	316.379	0.576	20	30		DCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)Cc1ccccc1C#N	ZINC000776702197	668880134	/nfs/dbraw/zinc/88/01/34/668880134.db2.gz	XAPXUKNGZCSJQN-GFCCVEGCSA-N	-1	0	312.347	0.419	20	30		DCEDRM
C=CCCS(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC000776717255	668880282	/nfs/dbraw/zinc/88/02/82/668880282.db2.gz	UNSWSKPYKLFSRI-UHFFFAOYSA-N	-1	0	302.352	0.588	20	30		DCEDRM
C[C@@H](NC(=O)CC(C)(C)C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000778705803	668903032	/nfs/dbraw/zinc/90/30/32/668903032.db2.gz	GTSDPNVGLJLCFW-SNVBAGLBSA-N	-1	0	317.411	0.677	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC	ZINC000778845046	668904779	/nfs/dbraw/zinc/90/47/79/668904779.db2.gz	VARRVDOQBABCOX-UHFFFAOYSA-N	-1	0	313.379	0.736	20	30		DCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)on1	ZINC000781449537	669044145	/nfs/dbraw/zinc/04/41/45/669044145.db2.gz	UYHCFGSQNJZUEH-QMMMGPOBSA-N	-1	0	314.257	0.817	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)no1	ZINC000781449854	669044451	/nfs/dbraw/zinc/04/44/51/669044451.db2.gz	WHYUCZPAMVANOP-VIFPVBQESA-N	-1	0	323.305	0.326	20	30		DCEDRM
CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000781591908	669052178	/nfs/dbraw/zinc/05/21/78/669052178.db2.gz	HVAISNBGUXKGKJ-KWQFWETISA-N	-1	0	312.322	0.927	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnc2n[nH]nc2c1	ZINC000783068568	669142115	/nfs/dbraw/zinc/14/21/15/669142115.db2.gz	CDRSJSMRAIDWRR-JTQLQIEISA-N	-1	0	316.321	0.218	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1nccs1	ZINC000783125625	669144840	/nfs/dbraw/zinc/14/48/40/669144840.db2.gz	MKYJWJIRKABWIW-VIFPVBQESA-N	-1	0	301.393	0.744	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)C[C@H]1CCOC1)cc2=O	ZINC000783763962	669172517	/nfs/dbraw/zinc/17/25/17/669172517.db2.gz	JLJIWIRPYQLBSF-SECBINFHSA-N	-1	0	302.290	0.776	20	30		DCEDRM
C=CC[C@@H](NC(=O)C(=O)[N-]OCCOCC)c1ccncc1	ZINC000805808187	669316104	/nfs/dbraw/zinc/31/61/04/669316104.db2.gz	CDNBCDCBDAATJW-CYBMUJFWSA-N	-1	0	307.350	0.899	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCC[C@H](C(N)=O)C1	ZINC000786961339	669344699	/nfs/dbraw/zinc/34/46/99/669344699.db2.gz	MHDOJMNWFVCUFG-GARJFASQSA-N	-1	0	302.334	0.603	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cnn(CC(F)(F)F)c1	ZINC000786972429	669345171	/nfs/dbraw/zinc/34/51/71/669345171.db2.gz	CPTNTYBKMDWAEZ-UHFFFAOYSA-N	-1	0	324.284	0.809	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(N)=O)cc1	ZINC000788181463	669420617	/nfs/dbraw/zinc/42/06/17/669420617.db2.gz	YLNNUPMRRXICNC-UHFFFAOYSA-N	-1	0	309.347	0.409	20	30		DCEDRM
CCOC(=O)C1(CC(=O)[N-]S(=O)(=O)CCCC#N)CCC1	ZINC000789411365	669491699	/nfs/dbraw/zinc/49/16/99/669491699.db2.gz	PQAVBAQQEYNHRD-UHFFFAOYSA-N	-1	0	316.379	0.860	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(-c2cc(C)cc(F)c2)nn1	ZINC000789406264	669492002	/nfs/dbraw/zinc/49/20/02/669492002.db2.gz	SRHSJGAGJOEAIF-NSHDSACASA-N	-1	0	301.281	0.783	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1	ZINC000791111015	669594549	/nfs/dbraw/zinc/59/45/49/669594549.db2.gz	KZDOVVLWWDBHDW-UHFFFAOYSA-N	-1	0	321.420	0.203	20	30		DCEDRM
COc1cncc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC000791767809	669628206	/nfs/dbraw/zinc/62/82/06/669628206.db2.gz	VMKBIZGVLBBBLL-UHFFFAOYSA-N	-1	0	318.314	0.476	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(C)c1Br	ZINC000791851405	669634308	/nfs/dbraw/zinc/63/43/08/669634308.db2.gz	DNJFCAHMFNLMPL-UHFFFAOYSA-N	-1	0	308.157	0.428	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(NC(N)=O)cc2)CC1	ZINC000793205846	669707142	/nfs/dbraw/zinc/70/71/42/669707142.db2.gz	QYMPGUQNGAYOMY-UHFFFAOYSA-N	-1	0	322.346	0.541	20	30		DCEDRM
C#Cc1ccc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)cn1	ZINC000793948873	669758529	/nfs/dbraw/zinc/75/85/29/669758529.db2.gz	FJJDLFWBTYESCR-UHFFFAOYSA-N	-1	0	306.285	0.997	20	30		DCEDRM
C[C@@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000796811530	669943239	/nfs/dbraw/zinc/94/32/39/669943239.db2.gz	JTDQULPRWDKHNQ-UWVGGRQHSA-N	-1	0	300.380	0.987	20	30		DCEDRM
C=CCCOCCCCC(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796874399	669944962	/nfs/dbraw/zinc/94/49/62/669944962.db2.gz	PNSXNXWJSNQPOB-UHFFFAOYSA-N	-1	0	301.368	0.978	20	30		DCEDRM
CCn1nc(C)c(CC(=O)[N-]S(=O)(=O)CCCC#N)c1C	ZINC000797030615	669953421	/nfs/dbraw/zinc/95/34/21/669953421.db2.gz	FMNLNXSJXYLIQX-UHFFFAOYSA-N	-1	0	312.395	0.812	20	30		DCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(F)c1C#N	ZINC000797303734	669965156	/nfs/dbraw/zinc/96/51/56/669965156.db2.gz	YKPHLISKGOJGIO-ZETCQYMHSA-N	-1	0	314.294	0.318	20	30		DCEDRM
Cn1ncc(Cl)c1S(=O)(=O)[N-]c1cnn(CC#N)c1	ZINC000797430038	669968405	/nfs/dbraw/zinc/96/84/05/669968405.db2.gz	KVZDWDRGVJBDQC-UHFFFAOYSA-N	-1	0	300.731	0.594	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCc1nc(C2CC2)no1)C(=O)[O-]	ZINC000797714288	669973710	/nfs/dbraw/zinc/97/37/10/669973710.db2.gz	GHASQEPLMLSQLJ-VIFPVBQESA-N	-1	0	310.310	0.402	20	30		DCEDRM
C#CCC[C@@H](O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000798488798	670007561	/nfs/dbraw/zinc/00/75/61/670007561.db2.gz	ZLFHOOULAINKAV-SNVBAGLBSA-N	-1	0	314.313	0.889	20	30		DCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccnn2C)cc1C#N	ZINC000799624514	670066834	/nfs/dbraw/zinc/06/68/34/670066834.db2.gz	GIOIGPCGJCGJKG-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)c1[O-]	ZINC000950758049	670122266	/nfs/dbraw/zinc/12/22/66/670122266.db2.gz	DGYAMKXWRTUMQY-LBPRGKRZSA-N	-1	0	316.361	0.558	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cncc(-n2ccnn2)c1	ZINC000802037786	670148877	/nfs/dbraw/zinc/14/88/77/670148877.db2.gz	SWSVARBKGVXFCJ-ZDUSSCGKSA-N	-1	0	310.317	0.607	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)cc1	ZINC000802208902	670157772	/nfs/dbraw/zinc/15/77/72/670157772.db2.gz	CGTQQBHONKRHLG-UHFFFAOYSA-N	-1	0	316.342	0.820	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000804402845	670293286	/nfs/dbraw/zinc/29/32/86/670293286.db2.gz	PESIHPSYUVVBKT-LLVKDONJSA-N	-1	0	305.334	0.820	20	30		DCEDRM
Cn1cc(C=NNc2ccc(C(=O)[O-])cc2)c(=O)n(C)c1=O	ZINC000807184812	670351751	/nfs/dbraw/zinc/35/17/51/670351751.db2.gz	XABGKEAYWJFLJS-UHFFFAOYSA-N	-1	0	302.290	0.228	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nn(C)c(=O)c2ccccc21	ZINC000810771224	670496590	/nfs/dbraw/zinc/49/65/90/670496590.db2.gz	IFMUNVUTMFYIMR-UHFFFAOYSA-N	-1	0	319.342	0.016	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccccc1	ZINC000810772229	670496610	/nfs/dbraw/zinc/49/66/10/670496610.db2.gz	WTWLPHWTVCMYHG-NSHDSACASA-N	-1	0	308.359	0.274	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1	ZINC000810773061	670496697	/nfs/dbraw/zinc/49/66/97/670496697.db2.gz	PWTUAVFWYSSDRD-UHFFFAOYSA-N	-1	0	323.374	0.061	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CN(C)C(=O)c2ccccc21	ZINC000810773044	670496709	/nfs/dbraw/zinc/49/67/09/670496709.db2.gz	PMKYXHKQOCFBLQ-ZDUSSCGKSA-N	-1	0	320.370	0.325	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCn1c(C)c(C)sc1=O	ZINC000810770845	670496750	/nfs/dbraw/zinc/49/67/50/670496750.db2.gz	CBBJTMUJBTXAEY-UHFFFAOYSA-N	-1	0	316.404	0.386	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCNC(=O)C(C)(C)C	ZINC000810774666	670497001	/nfs/dbraw/zinc/49/70/01/670497001.db2.gz	LYFWWAGFTDWCEB-UHFFFAOYSA-N	-1	0	302.396	0.398	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccnc1OCC(F)F	ZINC000810774436	670497034	/nfs/dbraw/zinc/49/70/34/670497034.db2.gz	ZISZFRWYEIAWDX-UHFFFAOYSA-N	-1	0	318.301	0.808	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cncc(OCCOC)c1	ZINC000810777521	670497160	/nfs/dbraw/zinc/49/71/60/670497160.db2.gz	IDUSXXDPTWPECA-UHFFFAOYSA-N	-1	0	312.347	0.190	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc2c(cnn2C)c1OC	ZINC000810776584	670497197	/nfs/dbraw/zinc/49/71/97/670497197.db2.gz	ZEGLBDVMDQLUCX-UHFFFAOYSA-N	-1	0	322.346	0.060	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H](C)NC(=O)OC(C)(C)C	ZINC000810778866	670497392	/nfs/dbraw/zinc/49/73/92/670497392.db2.gz	PRFDVVFMMNZNBQ-JTQLQIEISA-N	-1	0	318.395	0.759	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-]	ZINC000810779787	670497465	/nfs/dbraw/zinc/49/74/65/670497465.db2.gz	ATCIDZPOMZYFRM-UHFFFAOYSA-N	-1	0	312.303	0.686	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1OC	ZINC000810780550	670497599	/nfs/dbraw/zinc/49/75/99/670497599.db2.gz	HMICUGFFZPSCND-UHFFFAOYSA-N	-1	0	312.303	0.686	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)n1	ZINC000810781992	670497762	/nfs/dbraw/zinc/49/77/62/670497762.db2.gz	DWSKXFUBYXWFBY-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccn2)c1C	ZINC000810782625	670497819	/nfs/dbraw/zinc/49/78/19/670497819.db2.gz	QEAFLRMRPSADTG-UHFFFAOYSA-N	-1	0	318.358	0.659	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CN(C)C(=O)c1cccs1	ZINC000810786445	670497950	/nfs/dbraw/zinc/49/79/50/670497950.db2.gz	JHHJHCOJVIDYBT-UHFFFAOYSA-N	-1	0	314.388	0.289	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc2c(C)nn(C)c2nc1C	ZINC000810784363	670497968	/nfs/dbraw/zinc/49/79/68/670497968.db2.gz	BTXZJCVFNAHMBP-UHFFFAOYSA-N	-1	0	320.374	0.668	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)n1nnnc1C(C)(C)C	ZINC000810784551	670498029	/nfs/dbraw/zinc/49/80/29/670498029.db2.gz	JMZCPENTMDRLPV-VIFPVBQESA-N	-1	0	313.383	0.001	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccn(CCOC)n2)CC1	ZINC000810979759	670501688	/nfs/dbraw/zinc/50/16/88/670501688.db2.gz	IUGCAWIPUYIQEP-UHFFFAOYSA-N	-1	0	313.379	0.698	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)NC)nc2)CC1	ZINC000810985250	670502320	/nfs/dbraw/zinc/50/23/20/670502320.db2.gz	FHXGDUPUOXDNRP-UHFFFAOYSA-N	-1	0	323.374	0.610	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN(C(C)=O)C2)CC1	ZINC000810988588	670502480	/nfs/dbraw/zinc/50/24/80/670502480.db2.gz	SKSTZZLKSWTYMC-ZDUSSCGKSA-N	-1	0	314.407	0.800	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)CC1	ZINC000810984531	670502539	/nfs/dbraw/zinc/50/25/39/670502539.db2.gz	DWTPAXRYCSBUHC-GFCCVEGCSA-N	-1	0	300.380	0.457	20	30		DCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccc(Br)s1	ZINC000812781918	670595903	/nfs/dbraw/zinc/59/59/03/670595903.db2.gz	IRMQZNGSHMKETD-UHFFFAOYSA-N	-1	0	317.164	0.921	20	30		DCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1COC[C@@H]1c1ccccc1	ZINC000854648237	670603620	/nfs/dbraw/zinc/60/36/20/670603620.db2.gz	AUQFDLQWULDKFX-MGPQQGTHSA-N	-1	0	304.346	0.913	20	30		DCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000813088185	670610082	/nfs/dbraw/zinc/61/00/82/670610082.db2.gz	MLQNSTRNQAJBBH-UHFFFAOYSA-N	-1	0	306.294	0.647	20	30		DCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000847895328	670610820	/nfs/dbraw/zinc/61/08/20/670610820.db2.gz	OTBYZUVUSUGFJU-UHFFFAOYSA-N	-1	0	312.307	0.879	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)c1ccccc1[N-]S(=O)(=O)CCC	ZINC000854769048	670627746	/nfs/dbraw/zinc/62/77/46/670627746.db2.gz	FHCUZDWZQMJGRL-NSHDSACASA-N	-1	0	310.375	0.562	20	30		DCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1	ZINC000813947667	670664792	/nfs/dbraw/zinc/66/47/92/670664792.db2.gz	SPDQOLUMBTYUNH-UHFFFAOYSA-N	-1	0	317.411	0.114	20	30		DCEDRM
C[C@@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981086	670667488	/nfs/dbraw/zinc/66/74/88/670667488.db2.gz	SPBQEAHVGAJGPV-SKDRFNHKSA-N	-1	0	309.347	0.431	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCn2cccn2)c1	ZINC000813981237	670667504	/nfs/dbraw/zinc/66/75/04/670667504.db2.gz	VSMMOXDIMCJCHV-UHFFFAOYSA-N	-1	0	305.319	0.045	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000813986023	670668695	/nfs/dbraw/zinc/66/86/95/670668695.db2.gz	YLZZGXBUSSKSKN-SNVBAGLBSA-N	-1	0	301.368	0.515	20	30		DCEDRM
Cc1nn(C)c2nc(Cl)c(C=Nn3c(=O)[n-][nH]c3=O)cc12	ZINC000814233481	670681833	/nfs/dbraw/zinc/68/18/33/670681833.db2.gz	RSARZNUZKZUNOF-UHFFFAOYSA-N	-1	0	307.701	0.815	20	30		DCEDRM
O=C1[N-]C(=O)C(=NNc2ccccc2OC(F)(F)F)C(=O)N1	ZINC000814226801	670682018	/nfs/dbraw/zinc/68/20/18/670682018.db2.gz	JYUJQNVIDIEGNX-UHFFFAOYSA-N	-1	0	316.195	0.719	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1nc2ccccn2c1Br	ZINC000814233997	670683021	/nfs/dbraw/zinc/68/30/21/670683021.db2.gz	OAQINCADLIMUSX-UHFFFAOYSA-N	-1	0	323.110	0.982	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000814842481	670705019	/nfs/dbraw/zinc/70/50/19/670705019.db2.gz	ACTAEPBFWUSIOV-RNFRBKRXSA-N	-1	0	304.310	0.721	20	30		DCEDRM
CCC(=NNCC(=O)[O-])c1ccccc1OCC(=O)N(C)C	ZINC000814959879	670710131	/nfs/dbraw/zinc/71/01/31/670710131.db2.gz	CJFULJSYLQCXOV-UHFFFAOYSA-N	-1	0	307.350	0.942	20	30		DCEDRM
Cc1nn(C)cc1C([O-])=C(C#N)C(=O)NCCCOC(C)C	ZINC000113651830	670755586	/nfs/dbraw/zinc/75/55/86/670755586.db2.gz	UHRRXFVZJXDYRR-GFCCVEGCSA-N	-1	0	306.366	0.982	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCc1scnc1C	ZINC000849219260	670766020	/nfs/dbraw/zinc/76/60/20/670766020.db2.gz	OONCEHTUCQJZCL-UHFFFAOYSA-N	-1	0	302.377	0.344	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1c[nH]c(C(=O)OC)c1	ZINC000815904364	670771224	/nfs/dbraw/zinc/77/12/24/670771224.db2.gz	DAZZLOWXHJKIFX-SNVBAGLBSA-N	-1	0	307.306	0.276	20	30		DCEDRM
C#CCSCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000849378914	670783912	/nfs/dbraw/zinc/78/39/12/670783912.db2.gz	NTYOESDAYYMOCF-UHFFFAOYSA-N	-1	0	301.349	0.635	20	30		DCEDRM
CO[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000816095367	670786223	/nfs/dbraw/zinc/78/62/23/670786223.db2.gz	ZMRLKXBVYIXZJO-RYUDHWBXSA-N	-1	0	323.374	0.963	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C	ZINC000816201339	670791821	/nfs/dbraw/zinc/79/18/21/670791821.db2.gz	YUUOBVRFUPSQNZ-UHFFFAOYSA-N	-1	0	320.374	0.885	20	30		DCEDRM
CCOCCn1cc(C([O-])=C(C#N)C(=O)c2nccn2C)cn1	ZINC000857013250	670874141	/nfs/dbraw/zinc/87/41/41/670874141.db2.gz	KUWPIGURJLVPPN-LBPRGKRZSA-N	-1	0	315.333	0.858	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnc3n2CCCCC3)CC1	ZINC000857017360	670874618	/nfs/dbraw/zinc/87/46/18/670874618.db2.gz	KDNXNDKQQNPAGL-UHFFFAOYSA-N	-1	0	322.390	0.973	20	30		DCEDRM
O=C([O-])COc1ccc(C=NN[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-]	ZINC000817333705	670912315	/nfs/dbraw/zinc/91/23/15/670912315.db2.gz	UOZLSDRVUVZSFC-ZYHUDNBSSA-N	-1	0	323.305	0.895	20	30		DCEDRM
CC(C)(C)n1nnc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC000850768864	670939704	/nfs/dbraw/zinc/93/97/04/670939704.db2.gz	ZVWNAOGFGWNUQY-JTQLQIEISA-N	-1	0	304.354	0.809	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C(C)(C)C	ZINC000850788551	670940716	/nfs/dbraw/zinc/94/07/16/670940716.db2.gz	YVXAHRMXURVPHS-JTQLQIEISA-N	-1	0	303.318	0.882	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)C(C)C	ZINC000850788117	670940997	/nfs/dbraw/zinc/94/09/97/670940997.db2.gz	MLIHHISUQKAXRI-JTQLQIEISA-N	-1	0	320.349	0.415	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)c1	ZINC000850800131	670941414	/nfs/dbraw/zinc/94/14/14/670941414.db2.gz	WDXITNZJADYMKT-SECBINFHSA-N	-1	0	310.331	0.828	20	30		DCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000850843948	670948383	/nfs/dbraw/zinc/94/83/83/670948383.db2.gz	SJILAQUCFBSSMJ-JTQLQIEISA-N	-1	0	304.368	0.178	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000817891836	670951402	/nfs/dbraw/zinc/95/14/02/670951402.db2.gz	OGLVXONHEFIGII-WDEREUQCSA-N	-1	0	312.391	0.038	20	30		DCEDRM
CC(C)(C)OC(=O)C1(C(=O)[N-]S(=O)(=O)CCC#N)CCC1	ZINC000851016618	670961105	/nfs/dbraw/zinc/96/11/05/670961105.db2.gz	YZGMISXFVACBPB-UHFFFAOYSA-N	-1	0	316.379	0.858	20	30		DCEDRM
COC(=O)c1oc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)cc1C	ZINC000851512575	670995777	/nfs/dbraw/zinc/99/57/77/670995777.db2.gz	UGDRVZMUKJBYLD-SSDOTTSWSA-N	-1	0	314.319	0.729	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]N2C(=O)N[C@](C)(CC)C2=O)nn1	ZINC000819517488	671123794	/nfs/dbraw/zinc/12/37/94/671123794.db2.gz	AVSQCUUNKUUXOI-CYBMUJFWSA-N	-1	0	306.326	0.220	20	30		DCEDRM
CCn1nc(C)c(CNS(=O)(=O)c2cncc(C#N)c2)n1	ZINC000819890126	671143675	/nfs/dbraw/zinc/14/36/75/671143675.db2.gz	BKSYHFGBDFHXEA-UHFFFAOYSA-N	-1	0	306.351	0.352	20	30		DCEDRM
Cc1nn(CC(F)(F)F)cc1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820147928	671171650	/nfs/dbraw/zinc/17/16/50/671171650.db2.gz	AUZIIFBMJINREM-QMMMGPOBSA-N	-1	0	306.244	0.474	20	30		DCEDRM
C=CCN(C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)[C@H](C)COC	ZINC000852915235	671193749	/nfs/dbraw/zinc/19/37/49/671193749.db2.gz	BTLDXIHHHNXLSY-IAQYHMDHSA-N	-1	0	312.366	0.359	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@@H]2Cc2ccccc2)c(=O)[n-]c1=O	ZINC000820545150	671209622	/nfs/dbraw/zinc/20/96/22/671209622.db2.gz	SAGLAUFMQQZAKW-CQSZACIVSA-N	-1	0	324.340	0.664	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)CCCCOC)nn1	ZINC000820632249	671215406	/nfs/dbraw/zinc/21/54/06/671215406.db2.gz	HEEFUBBGVGXNJO-UHFFFAOYSA-N	-1	0	316.383	0.340	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C1CC(OC)C1	ZINC000860662547	671228346	/nfs/dbraw/zinc/22/83/46/671228346.db2.gz	HWBALTOXXYETIR-UHFFFAOYSA-N	-1	0	324.358	0.797	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C/c2ccc(F)cc2F)c(=O)n(C)c1=O	ZINC000821013313	671245939	/nfs/dbraw/zinc/24/59/39/671245939.db2.gz	YRVDWLVUSYOBEE-GQCTYLIASA-N	-1	0	322.267	0.964	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C\c2cc(F)ccc2F)c(=O)n(C)c1=O	ZINC000821012918	671245985	/nfs/dbraw/zinc/24/59/85/671245985.db2.gz	QJDKCXALQAPCHO-UTCJRWHESA-N	-1	0	322.267	0.964	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C2(COC)CC2)CCOCC1	ZINC000821161316	671257742	/nfs/dbraw/zinc/25/77/42/671257742.db2.gz	AFULQTVNRMTNSE-UHFFFAOYSA-N	-1	0	317.407	0.984	20	30		DCEDRM
C[C@]1(F)CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000823223301	671379432	/nfs/dbraw/zinc/37/94/32/671379432.db2.gz	QHGPFWZBAQWQLY-AWEZNQCLSA-N	-1	0	308.313	0.561	20	30		DCEDRM
C=C(C)CN(CC)C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000823877878	671411746	/nfs/dbraw/zinc/41/17/46/671411746.db2.gz	JLGDRBLCUNLFQV-UHFFFAOYSA-N	-1	0	300.326	0.359	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC[C@]3(CC3(F)F)C2)c(=O)[n-]c1=O	ZINC000824238835	671424243	/nfs/dbraw/zinc/42/42/43/671424243.db2.gz	ITRXSEAXDKXYLL-ZDUSSCGKSA-N	-1	0	324.287	0.468	20	30		DCEDRM
C#CCN(C(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C1CSC1	ZINC000824894853	671443219	/nfs/dbraw/zinc/44/32/19/671443219.db2.gz	MPZNDIYSPZTUGM-UHFFFAOYSA-N	-1	0	307.419	0.952	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnn3c2CCC3)CCCC1	ZINC000835280128	671792464	/nfs/dbraw/zinc/79/24/64/671792464.db2.gz	FQJLWYCIHHAZGU-UHFFFAOYSA-N	-1	0	322.390	0.973	20	30		DCEDRM
C[C@@H](OCCc1ccccc1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835409788	671795365	/nfs/dbraw/zinc/79/53/65/671795365.db2.gz	MIMTZLAWHIKGBP-GFCCVEGCSA-N	-1	0	310.375	0.994	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1CC(F)(F)F	ZINC000835410264	671795502	/nfs/dbraw/zinc/79/55/02/671795502.db2.gz	QTNAOVQCEXGLBE-QMMMGPOBSA-N	-1	0	313.301	0.373	20	30		DCEDRM
CNc1c(C(=O)[N-]S(=O)(=O)CCC#N)cccc1[N+](=O)[O-]	ZINC000835409478	671795599	/nfs/dbraw/zinc/79/55/99/671795599.db2.gz	YHDYHYNVBZEBEI-UHFFFAOYSA-N	-1	0	312.307	0.610	20	30		DCEDRM
CC(C)(C)OCCS(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1	ZINC000835917342	671809130	/nfs/dbraw/zinc/80/91/30/671809130.db2.gz	KVKSVNPEYRCIET-UHFFFAOYSA-N	-1	0	311.363	0.828	20	30		DCEDRM
COc1cc(C=NN2CCC[C@H]2CO)ccc1OCC(=O)[O-]	ZINC000841660225	671946871	/nfs/dbraw/zinc/94/68/71/671946871.db2.gz	BETZJDHZPOVDOT-LBPRGKRZSA-N	-1	0	308.334	0.949	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000844111443	672148789	/nfs/dbraw/zinc/14/87/89/672148789.db2.gz	BKIRDLJVTVMVAL-UWVGGRQHSA-N	-1	0	308.300	0.580	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000844782527	672202273	/nfs/dbraw/zinc/20/22/73/672202273.db2.gz	BFGZVKBYYPOGAU-MRVPVSSYSA-N	-1	0	313.335	0.839	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccnc1OCCOC	ZINC000846152878	672297805	/nfs/dbraw/zinc/29/78/05/672297805.db2.gz	CCHHOUSELFYAQL-JTQLQIEISA-N	-1	0	309.322	0.668	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCCOC)nc1	ZINC000846152376	672297841	/nfs/dbraw/zinc/29/78/41/672297841.db2.gz	SQQYCCAWZLAMMC-SNVBAGLBSA-N	-1	0	309.322	0.668	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1	ZINC000846152378	672297865	/nfs/dbraw/zinc/29/78/65/672297865.db2.gz	AYABNZDUIHXAAW-CMPLNLGQSA-N	-1	0	308.338	0.623	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2	ZINC000846152257	672297931	/nfs/dbraw/zinc/29/79/31/672297931.db2.gz	RBTIYQKEFJPNKW-DTWKUNHWSA-N	-1	0	319.317	0.967	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1	ZINC000846155710	672297954	/nfs/dbraw/zinc/29/79/54/672297954.db2.gz	XTTJKQSEAHYVGG-CMPLNLGQSA-N	-1	0	317.345	0.851	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(OCC(=O)OC)c1	ZINC000846151726	672297967	/nfs/dbraw/zinc/29/79/67/672297967.db2.gz	FUYFBIKEMLRTBX-SNVBAGLBSA-N	-1	0	322.317	0.799	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1	ZINC000846556099	672327391	/nfs/dbraw/zinc/32/73/91/672327391.db2.gz	YOGQVEKWLNRAIW-MFKMUULPSA-N	-1	0	310.325	0.468	20	30		DCEDRM
CCOc1ncccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195031	685343673	/nfs/dbraw/zinc/34/36/73/685343673.db2.gz	DVMOJIYFTBUFJH-UHFFFAOYSA-N	-1	0	309.347	0.844	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195416	685343755	/nfs/dbraw/zinc/34/37/55/685343755.db2.gz	LMSMAJIUNLDUCF-GFCCVEGCSA-N	-1	0	300.380	0.965	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N)C1CC1	ZINC000796864985	685345758	/nfs/dbraw/zinc/34/57/58/685345758.db2.gz	ZHJLOIYMVXJHAY-GFCCVEGCSA-N	-1	0	312.322	0.927	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000133543706	685120926	/nfs/dbraw/zinc/12/09/26/685120926.db2.gz	FEPHYSWPCNUKEL-GFCCVEGCSA-N	-1	0	313.273	0.849	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)c1[O-]	ZINC000954070301	685938093	/nfs/dbraw/zinc/93/80/93/685938093.db2.gz	RAMOVYQQNYQEEK-UHFFFAOYSA-N	-1	0	302.334	0.120	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCC#N)c1[O-]	ZINC000960258584	688337925	/nfs/dbraw/zinc/33/79/25/688337925.db2.gz	NAEREEZNQDTUHN-CHWSQXEVSA-N	-1	0	311.345	0.933	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)c1[O-]	ZINC001011738308	691616014	/nfs/dbraw/zinc/61/60/14/691616014.db2.gz	FRGOYBCJSSWQIZ-CMPLNLGQSA-N	-1	0	316.361	0.556	20	30		DCEDRM
C[C@H]1CC[C@@H](NC(=O)c2cn[nH]n2)CN1C(=O)C#CC1CC1	ZINC001018248643	693069014	/nfs/dbraw/zinc/06/90/14/693069014.db2.gz	DBDQNMLANQTPER-CMPLNLGQSA-N	-1	0	301.350	0.327	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)c1[O-]	ZINC001019362999	693447101	/nfs/dbraw/zinc/44/71/01/693447101.db2.gz	KINVWEAXQUPQBG-SECBINFHSA-N	-1	0	317.349	0.258	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001570931128	1162651372	/nfs/dbraw/zinc/65/13/72/1162651372.db2.gz	FVKPSVQYUZSRNZ-CNDDSTCGSA-N	-1	0	305.382	0.661	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@H]2C[C@H](NCC#N)C2)cc1=O	ZINC001691152966	1157599306	/nfs/dbraw/zinc/59/93/06/1157599306.db2.gz	FXFKGQJULHNCPU-JOCQHMNTSA-N	-1	0	319.409	0.383	20	30		DCEDRM
COCCN(CC#N)C1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001670993810	1158655986	/nfs/dbraw/zinc/65/59/86/1158655986.db2.gz	CKCFUISVCULPGJ-UHFFFAOYSA-N	-1	0	321.381	0.500	20	30		DCEDRM
Cn1ncc2c1nc(N=NC1CCCS(=O)(=O)C1)[n-]c2=O	ZINC001253238157	1159141152	/nfs/dbraw/zinc/14/11/52/1159141152.db2.gz	UNHNAIKRZAXZAL-UHFFFAOYSA-N	-1	0	310.339	0.045	20	30		DCEDRM
C#CCOCCC(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001572248930	1163078281	/nfs/dbraw/zinc/07/82/81/1163078281.db2.gz	FEAIFZFZJIZQJX-SNVBAGLBSA-N	-1	0	322.365	0.040	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001566608200	1160090866	/nfs/dbraw/zinc/09/08/66/1160090866.db2.gz	KGTOWWOBNTUFDJ-HNNXBMFYSA-N	-1	0	323.397	0.260	20	30		DCEDRM
C=CCC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001572319630	1163111112	/nfs/dbraw/zinc/11/11/12/1163111112.db2.gz	FOBBDUYPBSRKBM-SNVBAGLBSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001569496382	1161079004	/nfs/dbraw/zinc/07/90/04/1161079004.db2.gz	MHTQWWYOXSVIIZ-OAHLLOKOSA-N	-1	0	323.397	0.382	20	30		DCEDRM
C=CCn1cc(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)nn1	ZINC001573378595	1163420839	/nfs/dbraw/zinc/42/08/39/1163420839.db2.gz	HPXPCHILYSOFCV-UHFFFAOYSA-N	-1	0	323.334	0.036	20	30		DCEDRM
C[C@@H](NC(=O)[C@@H](C)NC(=O)C1(C#N)CCSCC1)C(=O)[O-]	ZINC001573553268	1163493690	/nfs/dbraw/zinc/49/36/90/1163493690.db2.gz	KKNJTCIDIZHZLL-RKDXNWHRSA-N	-1	0	313.379	0.117	20	30		DCEDRM
C[C@@H](NC(=O)c1ncc(C#N)cc1Cl)c1nc(C(=O)[O-])n[nH]1	ZINC001573571666	1163504858	/nfs/dbraw/zinc/50/48/58/1163504858.db2.gz	LAAOUIAHRAAQCX-RXMQYKEDSA-N	-1	0	320.696	0.914	20	30		DCEDRM
CCn1cc(C#N)c(NC(=O)N[C@@]2(C)CCOC2=O)c1C(=O)[O-]	ZINC001573844413	1163565492	/nfs/dbraw/zinc/56/54/92/1163565492.db2.gz	HKEPONQDECKYIK-AWEZNQCLSA-N	-1	0	320.305	0.905	20	30		DCEDRM
CCn1cc(C(=O)[O-])c(NC(=O)N2CCO[C@](C)(C#N)C2)n1	ZINC001573846632	1163566288	/nfs/dbraw/zinc/56/62/88/1163566288.db2.gz	GLRIUVICEWMFJH-CYBMUJFWSA-N	-1	0	307.310	0.748	20	30		DCEDRM
Cc1cc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)ncc1C#N	ZINC001574141921	1163647439	/nfs/dbraw/zinc/64/74/39/1163647439.db2.gz	WDXZYYHXKSILNI-MNOVXSKESA-N	-1	0	319.321	0.354	20	30		DCEDRM
Cc1nc(C(=O)N[C@H](C)c2nc(C(=O)[O-])n[nH]2)ccc1C#N	ZINC001574182858	1163655361	/nfs/dbraw/zinc/65/53/61/1163655361.db2.gz	SDXFBRYAKQBPBU-SSDOTTSWSA-N	-1	0	300.278	0.569	20	30		DCEDRM
Cc1onc(CC(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])c1C#N	ZINC001574208246	1163663692	/nfs/dbraw/zinc/66/36/92/1163663692.db2.gz	XPEPDCHWMOTDNO-BXKDBHETSA-N	-1	0	307.306	0.536	20	30		DCEDRM
Cn1c(C(=O)[O-])cnc1NC(=O)NCC1(C#N)CCOCC1	ZINC001574209054	1163664905	/nfs/dbraw/zinc/66/49/05/1163664905.db2.gz	MMBGFXGEWBSRAD-UHFFFAOYSA-N	-1	0	307.310	0.560	20	30		DCEDRM
N#Cc1ccc(CC(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])cn1	ZINC001574245132	1163672155	/nfs/dbraw/zinc/67/21/55/1163672155.db2.gz	GVHAJHGXIOVAQB-OLZOCXBDSA-N	-1	0	303.318	0.634	20	30		DCEDRM
N#Cc1cn(CC2=C(C(=O)[O-])[C@H](c3ccco3)NC(=O)N2)nn1	ZINC001574248509	1163673521	/nfs/dbraw/zinc/67/35/21/1163673521.db2.gz	JMEJVDOKHAUMPB-NSHDSACASA-N	-1	0	314.261	0.136	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)n1	ZINC001574249833	1163674807	/nfs/dbraw/zinc/67/48/07/1163674807.db2.gz	MXDSJHNLZSTKIF-STQMWFEESA-N	-1	0	312.285	0.265	20	30		DCEDRM
C[C@@]1(CCCO)CCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001575768259	1164142557	/nfs/dbraw/zinc/14/25/57/1164142557.db2.gz	MRCFQAJYORFRQU-AWEZNQCLSA-N	-1	0	314.353	0.660	20	30		DCEDRM
C=CCOCC(=O)N(C)CCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001576959502	1164557681	/nfs/dbraw/zinc/55/76/81/1164557681.db2.gz	VITDQWQAMGFKQJ-UHFFFAOYSA-N	-1	0	310.354	0.205	20	30		DCEDRM
CCN(CC)C(=O)CSc1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001577879889	1164822768	/nfs/dbraw/zinc/82/27/68/1164822768.db2.gz	PRJKTHPVCQGSQG-UHFFFAOYSA-N	-1	0	318.366	0.489	20	30		DCEDRM
CCOC(=O)C[C@H](C)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001578245559	1164964005	/nfs/dbraw/zinc/96/40/05/1164964005.db2.gz	WSCZIVJPWYVEPA-QMMMGPOBSA-N	-1	0	316.325	0.530	20	30		DCEDRM
CCn1nnc(C)c1CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001578831559	1165133974	/nfs/dbraw/zinc/13/39/74/1165133974.db2.gz	UBMZVMNWWVOCQP-UHFFFAOYSA-N	-1	0	311.313	0.060	20	30		DCEDRM
COc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)sn1	ZINC001579915789	1165435336	/nfs/dbraw/zinc/43/53/36/1165435336.db2.gz	NKWJHUBVUQTMKW-UHFFFAOYSA-N	-1	0	317.294	0.179	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1cnc(Cl)cn1	ZINC001581410612	1165823120	/nfs/dbraw/zinc/82/31/20/1165823120.db2.gz	QBTNOMRGXNQVAP-UHFFFAOYSA-N	-1	0	301.701	0.735	20	30		DCEDRM
Cc1ncsc1CCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001581586371	1165846518	/nfs/dbraw/zinc/84/65/18/1165846518.db2.gz	LPBPZICMDLUVQX-UHFFFAOYSA-N	-1	0	313.350	0.948	20	30		DCEDRM
N#C[C@@]1(C(=O)NCc2ccnc(-c3nn[nH]n3)c2)CCCOC1	ZINC001581856877	1165889433	/nfs/dbraw/zinc/88/94/33/1165889433.db2.gz	HUKJBRNSLMLSFN-AWEZNQCLSA-N	-1	0	313.321	0.198	20	30		DCEDRM
N#Cc1nc(NC(=O)C2(c3cccnc3)CC2)[n-]c1-c1nn[nH]n1	ZINC001581859914	1165891732	/nfs/dbraw/zinc/89/17/32/1165891732.db2.gz	CCGNKDZZGGSVDE-UHFFFAOYSA-N	-1	0	321.304	0.527	20	30		DCEDRM
N#Cc1ncc(N2CC[C@@H]3CSC[C@H]3C2)nc1-c1nnn[n-]1	ZINC001581881899	1165901747	/nfs/dbraw/zinc/90/17/47/1165901747.db2.gz	DPYKOJBDUQHXJI-RKDXNWHRSA-N	-1	0	314.378	0.718	20	30		DCEDRM
C#CCC1(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)CCC1	ZINC001581976400	1165928784	/nfs/dbraw/zinc/92/87/84/1165928784.db2.gz	GCUWYLNSFKQLFK-UHFFFAOYSA-N	-1	0	316.361	0.558	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCO[C@@H]2CCOC2)cc1C#N	ZINC001585084511	1166398890	/nfs/dbraw/zinc/39/88/90/1166398890.db2.gz	NTLAUZNBNCPDCZ-SNVBAGLBSA-N	-1	0	323.374	0.916	20	30		DCEDRM
C#CCN(Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2)C(C)C	ZINC001588352299	1166543223	/nfs/dbraw/zinc/54/32/23/1166543223.db2.gz	YCCXMJAGUPLPCV-UHFFFAOYSA-N	-1	0	312.377	0.818	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(N2CCNC2=O)c(C)c1)C(=O)[O-]	ZINC001588414563	1166550873	/nfs/dbraw/zinc/55/08/73/1166550873.db2.gz	OGWNZKYIISUBNH-GFCCVEGCSA-N	-1	0	315.329	0.731	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1ncc(-c2nn[nH]n2)cc1C	ZINC001588726157	1166580856	/nfs/dbraw/zinc/58/08/56/1166580856.db2.gz	VDODVLLSDMEVQP-JQWIXIFHSA-N	-1	0	314.349	0.891	20	30		DCEDRM
C[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)n1cnc(-c2nnn[n-]2)n1	ZINC001588952762	1166622317	/nfs/dbraw/zinc/62/23/17/1166622317.db2.gz	YBGCXHXFOOSUBB-RNCFNFMXSA-N	-1	0	315.341	0.171	20	30		DCEDRM
C[C@H](C(=O)N[C@H](C#N)C1CCCC1)n1cnc(-c2nnn[n-]2)n1	ZINC001588966242	1166624372	/nfs/dbraw/zinc/62/43/72/1166624372.db2.gz	XGNBZCXHDWWZFN-PSASIEDQSA-N	-1	0	315.341	0.218	20	30		DCEDRM
C[C@@H](C(=O)OCCCSCC#N)n1cnc(-c2nnn[n-]2)n1	ZINC001589029450	1166631719	/nfs/dbraw/zinc/63/17/19/1166631719.db2.gz	ATRBXMJSEQHITK-QMMMGPOBSA-N	-1	0	322.354	0.209	20	30		DCEDRM
CC(C)CN(CCC#N)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001589619531	1166668386	/nfs/dbraw/zinc/66/83/86/1166668386.db2.gz	JWBMVUPWNWLNDA-JTQLQIEISA-N	-1	0	317.357	0.417	20	30		DCEDRM
CC1(C)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1NCC#N	ZINC001590102164	1166773282	/nfs/dbraw/zinc/77/32/82/1166773282.db2.gz	KJBBTEVQAJPYNT-LLVKDONJSA-N	-1	0	314.353	0.159	20	30		DCEDRM
CCO[C@@H]1C[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)[C@@H]1OC	ZINC001590791279	1167022329	/nfs/dbraw/zinc/02/23/29/1167022329.db2.gz	MBNJHGOGWGEEFD-VMAXQDLPSA-N	-1	0	316.325	0.133	20	30		DCEDRM
CO[C@H]1CCC[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001591362937	1167237563	/nfs/dbraw/zinc/23/75/63/1167237563.db2.gz	UODBHKYWHAJBTO-SVRRBLITSA-N	-1	0	302.298	0.215	20	30		DCEDRM
COc1ccc(Cn2cnc(-c3nnn[n-]3)c2C#N)cc1C#N	ZINC001591605349	1167336082	/nfs/dbraw/zinc/33/60/82/1167336082.db2.gz	GJMIDFDKOBBLKP-UHFFFAOYSA-N	-1	0	306.289	0.863	20	30		DCEDRM
COc1ncc(Cn2c(C)nc(-c3nnn[n-]3)c2C#N)c(C)n1	ZINC001591663660	1167342680	/nfs/dbraw/zinc/34/26/80/1167342680.db2.gz	VJVXKJYMFSVRKI-UHFFFAOYSA-N	-1	0	311.309	0.399	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@H](C#N)C(C)C	ZINC001591835827	1167391472	/nfs/dbraw/zinc/39/14/72/1167391472.db2.gz	VPJOOBOKOVYETJ-SECBINFHSA-N	-1	0	301.310	0.554	20	30		DCEDRM
Cc1cc(C)n(N=C[C@H]2CCCOC2)c(=O)c1-c1nnn[n-]1	ZINC001591955955	1167425064	/nfs/dbraw/zinc/42/50/64/1167425064.db2.gz	PEBAOHRZNSYFJM-LLVKDONJSA-N	-1	0	302.338	0.906	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2nnn(C(C)(C)C)n2)o1	ZINC001592338593	1167494110	/nfs/dbraw/zinc/49/41/10/1167494110.db2.gz	IZYGTDNDHDTFOS-UHFFFAOYSA-N	-1	0	317.317	0.351	20	30		DCEDRM
Cc1nnc(Sc2cnc(C#N)c(-c3nnn[n-]3)n2)s1	ZINC001592450329	1167526578	/nfs/dbraw/zinc/52/65/78/1167526578.db2.gz	JAHXUFGFRRAUJP-UHFFFAOYSA-N	-1	0	303.336	0.840	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)o1	ZINC001592582336	1167571552	/nfs/dbraw/zinc/57/15/52/1167571552.db2.gz	JCHTVJOODVKIHU-ZETCQYMHSA-N	-1	0	311.261	0.399	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1csc(-c2nn[nH]n2)c1	ZINC001592665640	1167592197	/nfs/dbraw/zinc/59/21/97/1167592197.db2.gz	PXTXGOPFMXAIQM-VIFPVBQESA-N	-1	0	316.346	0.873	20	30		DCEDRM
N#C[C@H]1CCCN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)C1	ZINC001592672371	1167593825	/nfs/dbraw/zinc/59/38/25/1167593825.db2.gz	GWSMJILKRJIEJK-MRVPVSSYSA-N	-1	0	324.391	0.852	20	30		DCEDRM
N#Cc1ncc(NC[C@@H]2CCCC[C@H]2O)nc1-c1nnn[n-]1	ZINC001592710629	1167610054	/nfs/dbraw/zinc/61/00/54/1167610054.db2.gz	RUBWRXSHTBUPHA-WCBMZHEXSA-N	-1	0	300.326	0.491	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001600074080	1168111457	/nfs/dbraw/zinc/11/14/57/1168111457.db2.gz	LQOGWBSRWHXKSM-ZDUSSCGKSA-N	-1	0	315.329	0.672	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CC[C@@](O)(CC#N)C2)ccc1C(=O)[O-]	ZINC001600295746	1168157992	/nfs/dbraw/zinc/15/79/92/1168157992.db2.gz	PTXCDOVGIQXWPI-AWEZNQCLSA-N	-1	0	324.358	0.732	20	30		DCEDRM
Cc1ccc(C(=O)/C=C/C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC001600329734	1168167124	/nfs/dbraw/zinc/16/71/24/1168167124.db2.gz	XDJZBXKYYOXONW-VWWYUBIBSA-N	-1	0	303.314	0.780	20	30		DCEDRM
Cc1ccn(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)c1C#N	ZINC001600595215	1168206535	/nfs/dbraw/zinc/20/65/35/1168206535.db2.gz	KGLMCQBJAMBBID-LBPRGKRZSA-N	-1	0	305.334	0.644	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CCOC[C@@H]2C#N)cc1C(=O)[O-]	ZINC001600745491	1168273604	/nfs/dbraw/zinc/27/36/04/1168273604.db2.gz	PKPVHWIKXKLJRQ-VIFPVBQESA-N	-1	0	311.319	0.001	20	30		DCEDRM
Cc1oc(CNC(=O)C(=O)NCC(C)(C)CC#N)cc1C(=O)[O-]	ZINC001600845243	1168484685	/nfs/dbraw/zinc/48/46/85/1168484685.db2.gz	CTLSRTMDAXYAFO-UHFFFAOYSA-N	-1	0	321.333	0.959	20	30		DCEDRM
Cn1ccc([C@@H](NC(=O)CNc2ccc(C#N)cc2)C(=O)[O-])n1	ZINC001600992503	1168550808	/nfs/dbraw/zinc/55/08/08/1168550808.db2.gz	ZDNMRMKJQJDEBJ-CQSZACIVSA-N	-1	0	313.317	0.646	20	30		DCEDRM
N#CC1(C(=O)NCC2(CC(=O)[O-])CCOCC2)CCOCC1	ZINC001601050518	1168577668	/nfs/dbraw/zinc/57/76/68/1168577668.db2.gz	RSEHHXUVVJXTNG-UHFFFAOYSA-N	-1	0	310.350	0.694	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)CC1	ZINC001601048525	1168577472	/nfs/dbraw/zinc/57/74/72/1168577472.db2.gz	GZZVJRWCCSPXCK-SNVBAGLBSA-N	-1	0	314.363	0.028	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)Cn2nnc3c2CCCC3)CC1	ZINC001601051324	1168577755	/nfs/dbraw/zinc/57/77/55/1168577755.db2.gz	KUUAPBHLOVTNSH-UHFFFAOYSA-N	-1	0	317.349	0.374	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCC3(C2)OCCO3)CC1	ZINC001601051244	1168577870	/nfs/dbraw/zinc/57/78/70/1168577870.db2.gz	ICWDFEHJTNKPKU-NSHDSACASA-N	-1	0	323.349	0.682	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2CCc3nncn3C2)CC1	ZINC001601049761	1168577889	/nfs/dbraw/zinc/57/78/89/1168577889.db2.gz	WKWBNGYFZZBZID-JTQLQIEISA-N	-1	0	303.322	0.057	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)Cc2cn3c(n2)CCCC3)CC1	ZINC001601051295	1168577934	/nfs/dbraw/zinc/57/79/34/1168577934.db2.gz	JTXIJLFZTZKMAB-UHFFFAOYSA-N	-1	0	316.361	0.979	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCCOCC(F)F)CC1	ZINC001601051918	1168577943	/nfs/dbraw/zinc/57/79/43/1168577943.db2.gz	HMUJOVZVOXWTBL-UHFFFAOYSA-N	-1	0	305.281	0.668	20	30		DCEDRM
N#CC1(CC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CCOCC1	ZINC001601055178	1168578654	/nfs/dbraw/zinc/57/86/54/1168578654.db2.gz	SORBPSOGZAINLD-WPRPVWTQSA-N	-1	0	302.277	0.779	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC1	ZINC001601061221	1168579429	/nfs/dbraw/zinc/57/94/29/1168579429.db2.gz	RPJSGIWUGYQRLM-UPHRSURJSA-N	-1	0	317.301	0.575	20	30		DCEDRM
N#CCCCCC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001601064567	1168579751	/nfs/dbraw/zinc/57/97/51/1168579751.db2.gz	BGXIQRKTOWGWBV-UHFFFAOYSA-N	-1	0	302.352	0.219	20	30		DCEDRM
N#CCCNC(=O)CN1CCN(c2ccc(C(=O)[O-])s2)CC1	ZINC001601068058	1168580359	/nfs/dbraw/zinc/58/03/59/1168580359.db2.gz	DSZZRYMTNKQIHH-UHFFFAOYSA-N	-1	0	322.390	0.598	20	30		DCEDRM
N#CCCc1ccc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])cc1	ZINC001601068688	1168580368	/nfs/dbraw/zinc/58/03/68/1168580368.db2.gz	MOODAUYQFZJWKS-NSHDSACASA-N	-1	0	300.311	0.844	20	30		DCEDRM
N#CCCNC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001601067997	1168580533	/nfs/dbraw/zinc/58/05/33/1168580533.db2.gz	AEBZXWGOBDFTOS-UHFFFAOYSA-N	-1	0	305.246	0.082	20	30		DCEDRM
N#CCCN1CCN(C(=O)Nc2ccc(C(=O)[O-])cn2)CC1	ZINC001601067782	1168580680	/nfs/dbraw/zinc/58/06/80/1168580680.db2.gz	MNVYHGIJYVOABG-UHFFFAOYSA-N	-1	0	303.322	0.843	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1noc(-c2ccc(F)cc2)n1	ZINC001601071605	1168580869	/nfs/dbraw/zinc/58/08/69/1168580869.db2.gz	ZHCWAGLYAFWBGX-UHFFFAOYSA-N	-1	0	304.237	0.926	20	30		DCEDRM
N#CCN(CCC(=O)[O-])CC(=O)NC(=O)NC1CCCCC1	ZINC001601072326	1168581461	/nfs/dbraw/zinc/58/14/61/1168581461.db2.gz	RWOPGBIIYKFYHG-UHFFFAOYSA-N	-1	0	310.354	0.445	20	30		DCEDRM
N#CCOc1ccc(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC001601073951	1168581487	/nfs/dbraw/zinc/58/14/87/1168581487.db2.gz	SETJYYILIOZOIP-IUODEOHRSA-N	-1	0	318.329	0.737	20	30		DCEDRM
N#CCOc1ccc(N2C(=O)N[C@H](CCC(=O)[O-])C2=O)cc1	ZINC001601074212	1168581958	/nfs/dbraw/zinc/58/19/58/1168581958.db2.gz	NEFLDIYVBFBYEG-LLVKDONJSA-N	-1	0	303.274	0.879	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2CCC(O)(C(=O)[O-])CC2)c1	ZINC001601074452	1168582188	/nfs/dbraw/zinc/58/21/88/1168582188.db2.gz	YVYLBDLHFDRYHP-UHFFFAOYSA-N	-1	0	318.329	0.570	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)c2ccoc2CC(=O)[O-])C1	ZINC001601074537	1168582474	/nfs/dbraw/zinc/58/24/74/1168582474.db2.gz	DCYGQKCSXNOAGG-LLVKDONJSA-N	-1	0	305.334	0.872	20	30		DCEDRM
N#C[C@@]12CN([C@H](C(=O)[O-])c3ccccc3)C[C@H]1CS(=O)(=O)C2	ZINC001601079543	1168583016	/nfs/dbraw/zinc/58/30/16/1168583016.db2.gz	LPAAQJOXUGTGDA-YDHLFZDLSA-N	-1	0	320.370	0.682	20	30		DCEDRM
N#CCc1cccc(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n1	ZINC001601078282	1168583110	/nfs/dbraw/zinc/58/31/10/1168583110.db2.gz	QXEIDGOUTFWSGT-BXKDBHETSA-N	-1	0	304.306	0.759	20	30		DCEDRM
N#Cc1cc(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)ccn1	ZINC001601087964	1168583597	/nfs/dbraw/zinc/58/35/97/1168583597.db2.gz	SPNASKFTLKLBEZ-LBPRGKRZSA-N	-1	0	317.301	0.576	20	30		DCEDRM
N#Cc1cc(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)c[nH]1	ZINC001601086336	1168583641	/nfs/dbraw/zinc/58/36/41/1168583641.db2.gz	KOJJMPADKCATDH-UHFFFAOYSA-N	-1	0	312.285	0.953	20	30		DCEDRM
N#Cc1cc(CS(=O)(=O)N[C@@H](CCF)C(=O)[O-])cs1	ZINC001601086743	1168583650	/nfs/dbraw/zinc/58/36/50/1168583650.db2.gz	HDORSFSGETUEMK-VIFPVBQESA-N	-1	0	306.340	0.852	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)s1	ZINC001601091899	1168583932	/nfs/dbraw/zinc/58/39/32/1168583932.db2.gz	DIXBWNLUDOEGMA-QMMMGPOBSA-N	-1	0	317.330	0.997	20	30		DCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CCSC[C@@H](C(=O)[O-])C2)cc1	ZINC001601095490	1168584779	/nfs/dbraw/zinc/58/47/79/1168584779.db2.gz	SHHBFCDKLAFXNQ-STQMWFEESA-N	-1	0	319.386	0.834	20	30		DCEDRM
N#Cc1ccc(CC(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])cn1	ZINC001601097684	1168584868	/nfs/dbraw/zinc/58/48/68/1168584868.db2.gz	CDCKAIAICCPRLB-CQSZACIVSA-N	-1	0	324.340	0.950	20	30		DCEDRM
N#Cc1ccc(CCNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001601097414	1168584920	/nfs/dbraw/zinc/58/49/20/1168584920.db2.gz	DZFAIYZFOIGTQW-UONOGXRCSA-N	-1	0	317.345	0.578	20	30		DCEDRM
N#Cc1ccc(N2C[C@@H](C(=O)NC3(C(=O)[O-])CC3)CC2=O)cc1	ZINC001601105704	1168585429	/nfs/dbraw/zinc/58/54/29/1168585429.db2.gz	DYMOPSYTPHRXRB-NSHDSACASA-N	-1	0	313.313	0.645	20	30		DCEDRM
N#Cc1ccc(NC(=O)CN2CCC[C@H](O)[C@@H]2C(=O)[O-])cc1	ZINC001601106912	1168585991	/nfs/dbraw/zinc/58/59/91/1168585991.db2.gz	JQZWXCPMZZYHPX-GXTWGEPZSA-N	-1	0	303.318	0.407	20	30		DCEDRM
N#Cc1ccc(OCC(=O)OCCn2cc(C(=O)[O-])nn2)cc1	ZINC001601110004	1168586311	/nfs/dbraw/zinc/58/63/11/1168586311.db2.gz	FSKVYOJUFXBUHH-UHFFFAOYSA-N	-1	0	316.273	0.470	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCC(O)(C(=O)[O-])CC2)c1	ZINC001601121582	1168587988	/nfs/dbraw/zinc/58/79/88/1168587988.db2.gz	NVRZOWGIYDESQZ-UHFFFAOYSA-N	-1	0	304.302	0.375	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)c1cc(C(=O)[O-])no1	ZINC001601128547	1168589852	/nfs/dbraw/zinc/58/98/52/1168589852.db2.gz	RXNDFNOYAQYTFJ-UHFFFAOYSA-N	-1	0	301.262	0.481	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)Nc2cc(C(=O)[O-])ccn2)n1	ZINC001601136099	1168594192	/nfs/dbraw/zinc/59/41/92/1168594192.db2.gz	FUBMZSPXZRRMBF-UHFFFAOYSA-N	-1	0	301.266	0.065	20	30		DCEDRM
NC(=NOCc1noc(CCCC(=O)[O-])n1)c1ccncn1	ZINC001601136217	1168594257	/nfs/dbraw/zinc/59/42/57/1168594257.db2.gz	AIBFIJHWBWEPJD-UHFFFAOYSA-N	-1	0	306.282	0.104	20	30		DCEDRM
O=C([O-])Cn1cccc1C=NNC(=S)NC[C@H]1CCCO1	ZINC001602166378	1169012240	/nfs/dbraw/zinc/01/22/40/1169012240.db2.gz	QOLOCXAVKMZLKX-LLVKDONJSA-N	-1	0	310.379	0.550	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC001602670338	1169155989	/nfs/dbraw/zinc/15/59/89/1169155989.db2.gz	CVBKDLPAKJRIQP-VIFPVBQESA-N	-1	0	304.302	0.860	20	30		DCEDRM
C#C[C@H](NC(=O)NCc1ncc(C(=O)[O-])s1)[C@@H]1CCCO1	ZINC001602674031	1169156050	/nfs/dbraw/zinc/15/60/50/1169156050.db2.gz	LEPNPWKLPOEUNG-IUCAKERBSA-N	-1	0	309.347	0.821	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001602676544	1169156760	/nfs/dbraw/zinc/15/67/60/1169156760.db2.gz	AQXINSIAVHVOHR-LLVKDONJSA-N	-1	0	303.318	0.676	20	30		DCEDRM
C#C[C@@H]1CCCN(S(=O)(=O)c2csnc2C(=O)[O-])C1	ZINC001602681290	1169156930	/nfs/dbraw/zinc/15/69/30/1169156930.db2.gz	IBOIUXJHILTQFH-MRVPVSSYSA-N	-1	0	300.361	0.875	20	30		DCEDRM
C#C[C@H]1CCCN(S(=O)(=O)c2csnc2C(=O)[O-])C1	ZINC001602681291	1169157466	/nfs/dbraw/zinc/15/74/66/1169157466.db2.gz	IBOIUXJHILTQFH-QMMMGPOBSA-N	-1	0	300.361	0.875	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccnn1Cc1ccccn1	ZINC001602688667	1169159749	/nfs/dbraw/zinc/15/97/49/1169159749.db2.gz	SWUXOULNACGRDA-UHFFFAOYSA-N	-1	0	313.317	0.878	20	30		DCEDRM
C#CCCCCCC(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001602702513	1169165855	/nfs/dbraw/zinc/16/58/55/1169165855.db2.gz	FNFWVGWKNJURMD-KBPBESRZSA-N	-1	0	320.389	0.960	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)C(=O)Nc1scc(C)c1C(=O)[O-]	ZINC001602701595	1169166279	/nfs/dbraw/zinc/16/62/79/1169166279.db2.gz	PFVIGLNVFNQCSQ-SECBINFHSA-N	-1	0	324.358	0.584	20	30		DCEDRM
C#CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CCN(C(=O)C2CC2)CC1	ZINC001602711369	1169166842	/nfs/dbraw/zinc/16/68/42/1169166842.db2.gz	FNXCBZWDWMJSNZ-UONOGXRCSA-N	-1	0	318.373	0.570	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC001602713674	1169167744	/nfs/dbraw/zinc/16/77/44/1169167744.db2.gz	OOGMBPIDCJCZQU-UHFFFAOYSA-N	-1	0	304.302	0.561	20	30		DCEDRM
C#CCN1CCN(c2nc(-c3nnn[n-]3)c(Cl)s2)CC1	ZINC001602722483	1169171998	/nfs/dbraw/zinc/17/19/98/1169171998.db2.gz	UIIMXFWNEXBBLV-UHFFFAOYSA-N	-1	0	309.786	0.732	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001602728377	1169174640	/nfs/dbraw/zinc/17/46/40/1169174640.db2.gz	SPWVOMJUDZPQLC-VXGBXAGGSA-N	-1	0	303.380	0.541	20	30		DCEDRM
C#Cc1ccc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)cc1	ZINC001602739925	1169175916	/nfs/dbraw/zinc/17/59/16/1169175916.db2.gz	RUXXTBDHMFGQDQ-SWLSCSKDSA-N	-1	0	321.354	0.286	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001602744527	1169177256	/nfs/dbraw/zinc/17/72/56/1169177256.db2.gz	DAHHQLLWFLOGGL-NWDGAFQWSA-N	-1	0	308.378	0.979	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001602747403	1169178211	/nfs/dbraw/zinc/17/82/11/1169178211.db2.gz	QOYPBMZVVZDEAB-FZMZJTMJSA-N	-1	0	320.345	0.644	20	30		DCEDRM
C=C(C)COCCNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001602762435	1169180692	/nfs/dbraw/zinc/18/06/92/1169180692.db2.gz	PPYUDFJJBWNANH-LLVKDONJSA-N	-1	0	323.353	0.525	20	30		DCEDRM
C=C(C)Cn1c(CCO)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001602768369	1169181208	/nfs/dbraw/zinc/18/12/08/1169181208.db2.gz	GWKYONJRMBEUAL-MNOVXSKESA-N	-1	0	310.354	0.067	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(C(=O)NCCO)cc1	ZINC001602786212	1169182786	/nfs/dbraw/zinc/18/27/86/1169182786.db2.gz	ZXBDHPSWEUTVOI-UHFFFAOYSA-N	-1	0	306.318	0.768	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C	ZINC001602785653	1169183405	/nfs/dbraw/zinc/18/34/05/1169183405.db2.gz	CZCUWQWICHXBKZ-UHFFFAOYSA-N	-1	0	319.317	0.942	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC001602842212	1169190878	/nfs/dbraw/zinc/19/08/78/1169190878.db2.gz	GNOFNHNTPVFGRC-SSDOTTSWSA-N	-1	0	320.754	0.649	20	30		DCEDRM
C=CCN1CC[C@H](N(C)c2ccc(-c3nn[nH]n3)c(N)n2)C1=O	ZINC001602862153	1169194640	/nfs/dbraw/zinc/19/46/40/1169194640.db2.gz	FASBXWIEMNROPS-JTQLQIEISA-N	-1	0	314.353	0.067	20	30		DCEDRM
C=CCN(C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C)C(C)C	ZINC001602887450	1169198175	/nfs/dbraw/zinc/19/81/75/1169198175.db2.gz	WTKIZNBRYQJTAG-UHFFFAOYSA-N	-1	0	308.338	0.638	20	30		DCEDRM
C=CCN1CC[C@H](N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C1=O	ZINC001602897672	1169200195	/nfs/dbraw/zinc/20/01/95/1169200195.db2.gz	BZHAOEMPQVTPHC-ZDUSSCGKSA-N	-1	0	323.393	0.028	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)CC(=O)[O-])C1	ZINC001602906907	1169201607	/nfs/dbraw/zinc/20/16/07/1169201607.db2.gz	RNMJOAQJGVJGQI-LLVKDONJSA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccnc(-c2ncc[nH]2)c1)C(=O)[O-]	ZINC001602913035	1169202531	/nfs/dbraw/zinc/20/25/31/1169202531.db2.gz	GYEFHZOKNTWRFZ-LBPRGKRZSA-N	-1	0	316.317	0.857	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc2c([nH]c1=O)CCC2)C(=O)[O-]	ZINC001602913049	1169203166	/nfs/dbraw/zinc/20/31/66/1169203166.db2.gz	HIDQRKDMNXETQH-LBPRGKRZSA-N	-1	0	306.318	0.662	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(N2CCC2)nc1)C(=O)[O-]	ZINC001602913153	1169203358	/nfs/dbraw/zinc/20/33/58/1169203358.db2.gz	KFXTZFZBDYNDCN-GFCCVEGCSA-N	-1	0	305.334	0.677	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc([S@@](C)=O)cc1)C(=O)[O-]	ZINC001602913506	1169204644	/nfs/dbraw/zinc/20/46/44/1169204644.db2.gz	SVAVYCXJKNIZCY-LAJNKCICSA-N	-1	0	311.359	0.810	20	30		DCEDRM
C=CCOCCCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001602915681	1169204801	/nfs/dbraw/zinc/20/48/01/1169204801.db2.gz	RLLOAOOQCWHGNE-VXGBXAGGSA-N	-1	0	313.350	0.834	20	30		DCEDRM
C=CCn1c(-c2nc[nH]c2C)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602930491	1169210291	/nfs/dbraw/zinc/21/02/91/1169210291.db2.gz	VXWZSERJJKLOMY-JTQLQIEISA-N	-1	0	318.337	0.452	20	30		DCEDRM
C=C[C@H](CO)NC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1	ZINC001602944626	1169215494	/nfs/dbraw/zinc/21/54/94/1169215494.db2.gz	DQIGCVFEQFNYDV-PYUIQPRZSA-N	-1	0	314.407	0.962	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC001602945730	1169217150	/nfs/dbraw/zinc/21/71/50/1169217150.db2.gz	KKYIDGUDBFXJOS-SNVBAGLBSA-N	-1	0	315.322	0.577	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(C)sc1C(=O)[O-]	ZINC001602946196	1169218381	/nfs/dbraw/zinc/21/83/81/1169218381.db2.gz	QUHGPDQBFPCMBV-SECBINFHSA-N	-1	0	324.358	0.584	20	30		DCEDRM
C[C@H](C#N)C(=O)NC1CC(CNc2ncc(C(=O)[O-])cn2)C1	ZINC001603130339	1169249791	/nfs/dbraw/zinc/24/97/91/1169249791.db2.gz	VCWGTMNWOUHWEJ-FKTRJACZSA-N	-1	0	303.322	0.641	20	30		DCEDRM
C[C@H](C#N)C(=O)N(C)C1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001603130076	1169250188	/nfs/dbraw/zinc/25/01/88/1169250188.db2.gz	QOHBNLMCULQEEH-SNVBAGLBSA-N	-1	0	317.349	0.762	20	30		DCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC001603129513	1169250468	/nfs/dbraw/zinc/25/04/68/1169250468.db2.gz	JJJLXCGTKHHHGO-ZCFIWIBFSA-N	-1	0	311.244	0.877	20	30		DCEDRM
C[C@H](C#N)C(=O)N1C[C@@H](CNc2ccnc(C(=O)[O-])n2)[C@H](C)C1	ZINC001603130468	1169250661	/nfs/dbraw/zinc/25/06/61/1169250661.db2.gz	VWHTXWMBWNSATM-GMTAPVOTSA-N	-1	0	317.349	0.263	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)c1cncc(-c2nn[nH]n2)c1	ZINC001603443834	1169305522	/nfs/dbraw/zinc/30/55/22/1169305522.db2.gz	ZTZNUXILZFYYNA-QMMMGPOBSA-N	-1	0	307.339	0.184	20	30		DCEDRM
C[C@H](CNC(=O)CSCC#N)CNc1ncc(C(=O)[O-])cn1	ZINC001604174026	1169513409	/nfs/dbraw/zinc/51/34/09/1169513409.db2.gz	IEHDXQZRDMPHJR-SECBINFHSA-N	-1	0	323.378	0.596	20	30		DCEDRM
C[C@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)C#CC1CC1	ZINC001604191052	1169519772	/nfs/dbraw/zinc/51/97/72/1169519772.db2.gz	QMKLDTVPAZARNQ-SNVBAGLBSA-N	-1	0	302.334	0.847	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001604274330	1169542817	/nfs/dbraw/zinc/54/28/17/1169542817.db2.gz	NRYNOJVHLWHXDE-BDAKNGLRSA-N	-1	0	303.330	0.027	20	30		DCEDRM
C[C@@H](NC(=O)N1CCO[C@H](C#N)C1)c1ncc(C(=O)[O-])s1	ZINC001604281369	1169545585	/nfs/dbraw/zinc/54/55/85/1169545585.db2.gz	CUEPPVKYMZTYKH-HTQZYQBOSA-N	-1	0	310.335	0.836	20	30		DCEDRM
C[C@H]1C[C@@H](N2CCOCC2)CN1c1ccc(C(=O)[O-])nc1C#N	ZINC001604673239	1169649761	/nfs/dbraw/zinc/64/97/61/1169649761.db2.gz	UMLSSCKNHPAQDL-NWDGAFQWSA-N	-1	0	316.361	0.951	20	30		DCEDRM
COC[C@@H](C)[C@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001605049865	1169795365	/nfs/dbraw/zinc/79/53/65/1169795365.db2.gz	XGRDDXLTSAVDKJ-RQJHMYQMSA-N	-1	0	304.314	0.319	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccncc1C(=O)[O-]	ZINC001605418364	1169915627	/nfs/dbraw/zinc/91/56/27/1169915627.db2.gz	YSNTXEQRLJIBBD-SNVBAGLBSA-N	-1	0	319.317	0.945	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(C(=O)[O-])n1C	ZINC001605418127	1169915789	/nfs/dbraw/zinc/91/57/89/1169915789.db2.gz	QQJSEDBBYWIYSK-JTQLQIEISA-N	-1	0	321.333	0.888	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1snc(C)c1C#N	ZINC001605448718	1169924214	/nfs/dbraw/zinc/92/42/14/1169924214.db2.gz	GZDFETGDHVXEQG-UWVGGRQHSA-N	-1	0	322.390	0.986	20	30		DCEDRM
CCOC(=O)NCCCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001605551849	1169957510	/nfs/dbraw/zinc/95/75/10/1169957510.db2.gz	RGRDSEWIVSPMLM-UHFFFAOYSA-N	-1	0	311.338	0.730	20	30		DCEDRM
CCc1nc(C#N)cc(N(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1	ZINC001605845116	1170012204	/nfs/dbraw/zinc/01/22/04/1170012204.db2.gz	ZJAVHVLBAFVUCZ-QWRGUYRKSA-N	-1	0	317.349	0.184	20	30		DCEDRM
Cc1cncc(C=CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC001605982677	1170041241	/nfs/dbraw/zinc/04/12/41/1170041241.db2.gz	DJGNKIIEWCZQEZ-IHWYPQMZSA-N	-1	0	321.304	0.817	20	30		DCEDRM
CN(C)C(=O)N1CCC(C(=O)N(CC#N)CCC(=O)[O-])CC1	ZINC001606004897	1170045502	/nfs/dbraw/zinc/04/55/02/1170045502.db2.gz	XOOIRWNXGUWBIM-UHFFFAOYSA-N	-1	0	310.354	0.207	20	30		DCEDRM
CN(CCCNC(=O)C#CC1CC1)c1ncc(C(=O)[O-])cn1	ZINC001606121353	1170082945	/nfs/dbraw/zinc/08/29/45/1170082945.db2.gz	IBMLCGHEIDJPOB-UHFFFAOYSA-N	-1	0	302.334	0.531	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001606166482	1170099449	/nfs/dbraw/zinc/09/94/49/1170099449.db2.gz	XQQOSHOVGVHGSL-UHFFFAOYSA-N	-1	0	320.330	0.800	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(C#N)ccn1	ZINC001606370977	1170172499	/nfs/dbraw/zinc/17/24/99/1170172499.db2.gz	QCYNMUIQHNLRBL-ZYHUDNBSSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(C#N)cn1C	ZINC001606383342	1170175586	/nfs/dbraw/zinc/17/55/86/1170175586.db2.gz	DUJUUBCGJYJNFV-MNOVXSKESA-N	-1	0	319.317	0.375	20	30		DCEDRM
N#Cc1nc(NCC2(C#N)CCOCC2)cnc1-c1nnn[n-]1	ZINC001606392833	1170180584	/nfs/dbraw/zinc/18/05/84/1170180584.db2.gz	GVBPKVYMRWPZDU-UHFFFAOYSA-N	-1	0	311.309	0.261	20	30		DCEDRM
COC(=O)c1ccccc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001606621796	1170245182	/nfs/dbraw/zinc/24/51/82/1170245182.db2.gz	ITOXVTRKGNWMAQ-UHFFFAOYSA-N	-1	0	312.303	0.072	20	30		DCEDRM
CO[C@@H](C(=O)OC(C)(C)C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001606650368	1170252254	/nfs/dbraw/zinc/25/22/54/1170252254.db2.gz	HMIWLGNEKRDZAT-SNVBAGLBSA-N	-1	0	300.311	0.170	20	30		DCEDRM
CO[C@H](C(=O)OC(C)(C)C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001606650363	1170252663	/nfs/dbraw/zinc/25/26/63/1170252663.db2.gz	HMIWLGNEKRDZAT-JTQLQIEISA-N	-1	0	300.311	0.170	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)CC1(C#N)CCC1	ZINC001606786192	1170289109	/nfs/dbraw/zinc/28/91/09/1170289109.db2.gz	MXBDZWVKCYPTBC-LLVKDONJSA-N	-1	0	304.368	0.479	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cnn(CCC#N)c1C	ZINC001606833133	1170306777	/nfs/dbraw/zinc/30/67/77/1170306777.db2.gz	JFSLSHSLUDGDDX-HNNXBMFYSA-N	-1	0	320.349	0.811	20	30		DCEDRM
COCC[C@@](C)(C#N)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001606851373	1170314297	/nfs/dbraw/zinc/31/42/97/1170314297.db2.gz	WEQMGECFNDXGRZ-ZDUSSCGKSA-N	-1	0	312.347	0.982	20	30		DCEDRM
COCCN(CC(=O)[O-])Cc1cccc(C(=O)OC)c1C#N	ZINC001606881660	1170322883	/nfs/dbraw/zinc/32/28/83/1170322883.db2.gz	UGEKQILKNNONLJ-UHFFFAOYSA-N	-1	0	306.318	0.878	20	30		DCEDRM
COCCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001606928088	1170331303	/nfs/dbraw/zinc/33/13/03/1170331303.db2.gz	RXUIPPZEJYGYIU-RULNRJAQSA-N	-1	0	323.328	0.555	20	30		DCEDRM
CON=Cc1ccc(C(=O)O[C@H](CC(=O)OC)C(=O)[O-])cc1	ZINC001606996709	1170349410	/nfs/dbraw/zinc/34/94/10/1170349410.db2.gz	XFUYZKICWDSHJU-LLVKDONJSA-N	-1	0	309.274	0.840	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N(C)C[C@@H](C)C#N	ZINC001607121182	1170404535	/nfs/dbraw/zinc/40/45/35/1170404535.db2.gz	LBEZVSFRIGTEPL-VIFPVBQESA-N	-1	0	319.317	0.950	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NCC(C)(C)C#N	ZINC001607122788	1170405289	/nfs/dbraw/zinc/40/52/89/1170405289.db2.gz	XQCQPVPZYAHPKL-UHFFFAOYSA-N	-1	0	319.317	0.998	20	30		DCEDRM
COc1cc(CN2CCC[C@H]2C(=O)NCC(=O)[O-])ccc1C#N	ZINC001607157454	1170411038	/nfs/dbraw/zinc/41/10/38/1170411038.db2.gz	GQQNQPHYIJQEQI-ZDUSSCGKSA-N	-1	0	317.345	0.732	20	30		DCEDRM
COc1nnccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001607363926	1170437304	/nfs/dbraw/zinc/43/73/04/1170437304.db2.gz	WDCOHYJVAQVOEP-UHFFFAOYSA-N	-1	0	305.294	0.707	20	30		DCEDRM
CS(=O)(=O)N[C@@H]1CCCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001607374488	1170440579	/nfs/dbraw/zinc/44/05/79/1170440579.db2.gz	DLYGFJUINIMKGE-SECBINFHSA-N	-1	0	324.362	0.169	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001607478678	1170464182	/nfs/dbraw/zinc/46/41/82/1170464182.db2.gz	YPZQLKFXXFQTLO-GWCFXTLKSA-N	-1	0	324.358	0.562	20	30		DCEDRM
Cc1cc(N2C(=O)N[C@H](CCC(=O)[O-])C2=O)nn1CCC#N	ZINC001607670456	1170492168	/nfs/dbraw/zinc/49/21/68/1170492168.db2.gz	YPHSXPMNOFOIGU-SECBINFHSA-N	-1	0	305.294	0.395	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])ccc1C#N	ZINC001607704375	1170497779	/nfs/dbraw/zinc/49/77/79/1170497779.db2.gz	UVGOBXAIPFIINA-CHWSQXEVSA-N	-1	0	324.358	0.465	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])ccc1C#N	ZINC001607704377	1170498356	/nfs/dbraw/zinc/49/83/56/1170498356.db2.gz	UVGOBXAIPFIINA-QWHCGFSZSA-N	-1	0	324.358	0.465	20	30		DCEDRM
Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1cc(C#N)ccn1	ZINC001608003970	1170545056	/nfs/dbraw/zinc/54/50/56/1170545056.db2.gz	DONDWJOIPPZXHB-UHFFFAOYSA-N	-1	0	313.317	0.781	20	30		DCEDRM
Cn1c(CC(C)(C)C#N)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001608087522	1170566911	/nfs/dbraw/zinc/56/69/11/1170566911.db2.gz	NYDNUZSIFTYYSP-SNVBAGLBSA-N	-1	0	307.354	0.587	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)n1	ZINC001608093430	1170569064	/nfs/dbraw/zinc/56/90/64/1170569064.db2.gz	GDKVKEHNGJHODK-UHFFFAOYSA-N	-1	0	317.309	0.952	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1	ZINC001608174544	1170609338	/nfs/dbraw/zinc/60/93/38/1170609338.db2.gz	QFBOZNGKLSJPFV-NSHDSACASA-N	-1	0	316.379	0.576	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])C1	ZINC001608180966	1170610704	/nfs/dbraw/zinc/61/07/04/1170610704.db2.gz	BWNCOHSWTOINBZ-ZDUSSCGKSA-N	-1	0	323.330	0.262	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1	ZINC001608186341	1170612669	/nfs/dbraw/zinc/61/26/69/1170612669.db2.gz	LBWARUBZPGKXSG-VXGBXAGGSA-N	-1	0	316.379	0.574	20	30		DCEDRM
N#CCN1CCC(NC(=O)NC[C@@H](CC(=O)[O-])C2CC2)CC1	ZINC001608187663	1170613130	/nfs/dbraw/zinc/61/31/30/1170613130.db2.gz	AGHSTMWCLQYZOC-GFCCVEGCSA-N	-1	0	308.382	0.774	20	30		DCEDRM
N#Cc1ccc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)[nH]1	ZINC001608199518	1170614145	/nfs/dbraw/zinc/61/41/45/1170614145.db2.gz	LOFPVFWPXIHTKN-UHFFFAOYSA-N	-1	0	305.290	0.366	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])cc1	ZINC001608201624	1170615162	/nfs/dbraw/zinc/61/51/62/1170615162.db2.gz	FNVLUEOANCJVBY-MCIONIFRSA-N	-1	0	318.329	0.730	20	30		DCEDRM
N#Cc1ccc(NC2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nn1	ZINC001608208786	1170616480	/nfs/dbraw/zinc/61/64/80/1170616480.db2.gz	PFQVHQKDDFNVNB-NWDGAFQWSA-N	-1	0	315.333	0.472	20	30		DCEDRM
N#Cc1ccccc1OC[C@@H](O)CN1CCOC[C@@H]1CC(=O)[O-]	ZINC001608219084	1170616988	/nfs/dbraw/zinc/61/69/88/1170616988.db2.gz	JAYBYULKLQLCQC-KBPBESRZSA-N	-1	0	320.345	0.473	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](CO)C2)c(C(=O)[O-])c1	ZINC001608212254	1170617056	/nfs/dbraw/zinc/61/70/56/1170617056.db2.gz	ZTAPDHFNWQQZRZ-MGCOHNPYSA-N	-1	0	310.331	0.306	20	30		DCEDRM
N#Cc1ccncc1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001608220480	1170618422	/nfs/dbraw/zinc/61/84/22/1170618422.db2.gz	ACWYBILBJATCOD-JTQLQIEISA-N	-1	0	312.289	0.330	20	30		DCEDRM
N#Cc1cnn2cc(CN3CCO[C@@H](CC(=O)[O-])C3)cnc12	ZINC001608221967	1170618508	/nfs/dbraw/zinc/61/85/08/1170618508.db2.gz	CPNNUJJDODNJSW-LBPRGKRZSA-N	-1	0	301.306	0.276	20	30		DCEDRM
N#Cc1ccncc1C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001608220639	1170618633	/nfs/dbraw/zinc/61/86/33/1170618633.db2.gz	HYNSAGISTIMVRM-LLVKDONJSA-N	-1	0	303.274	0.186	20	30		DCEDRM
N#Cc1cnc(NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cn1	ZINC001608223152	1170619315	/nfs/dbraw/zinc/61/93/15/1170619315.db2.gz	VSIIIDJFDNHVJM-UWVGGRQHSA-N	-1	0	301.306	0.130	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CC[C@@H](NC(=O)NC2CC2)C1	ZINC001608224333	1170619705	/nfs/dbraw/zinc/61/97/05/1170619705.db2.gz	VSMSREHNRVOROS-SNVBAGLBSA-N	-1	0	315.333	0.692	20	30		DCEDRM
O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)NCC#Cc2ccccc2)C1	ZINC001608603472	1170714886	/nfs/dbraw/zinc/71/48/86/1170714886.db2.gz	XVRJUMVZIKHEGY-UONOGXRCSA-N	-1	0	302.330	0.515	20	30		DCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001609054225	1170793937	/nfs/dbraw/zinc/79/39/37/1170793937.db2.gz	BWDCNRXOHFHTKE-MRVPVSSYSA-N	-1	0	312.303	0.935	20	30		DCEDRM
C#C[C@H]([C@@H]1CCCO1)N1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O	ZINC001609054765	1170794341	/nfs/dbraw/zinc/79/43/41/1170794341.db2.gz	QQGRWDYYJAIWPO-WYUUTHIRSA-N	-1	0	306.318	0.295	20	30		DCEDRM
C=CCNC(=O)C1CCN(c2oc(C)nc2-c2nnn[n-]2)CC1	ZINC001609058566	1170794923	/nfs/dbraw/zinc/79/49/23/1170794923.db2.gz	HICFOVMZFRDSQI-UHFFFAOYSA-N	-1	0	317.353	0.682	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)o1	ZINC001609072929	1170800245	/nfs/dbraw/zinc/80/02/45/1170800245.db2.gz	NCGNEQIJJGKGHK-UHFFFAOYSA-N	-1	0	324.322	0.069	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC001609105199	1170809915	/nfs/dbraw/zinc/80/99/15/1170809915.db2.gz	NXDBCHYOVPRHTM-LLVKDONJSA-N	-1	0	311.359	0.746	20	30		DCEDRM
C#Cc1ccc(C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)cn1	ZINC001609183622	1170853232	/nfs/dbraw/zinc/85/32/32/1170853232.db2.gz	MKTTVMSGDKAIEU-ZDUSSCGKSA-N	-1	0	304.302	0.445	20	30		DCEDRM
C=C(CNC(=O)NCCn1cc(C(=O)[O-])nn1)c1ccccc1	ZINC001609259481	1170899863	/nfs/dbraw/zinc/89/98/63/1170899863.db2.gz	TURBTQWYVIFRNG-UHFFFAOYSA-N	-1	0	315.333	0.989	20	30		DCEDRM
CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccccc2C#N)c1=O	ZINC001609257493	1170899872	/nfs/dbraw/zinc/89/98/72/1170899872.db2.gz	ADZBTTISJYYILV-UHFFFAOYSA-N	-1	0	323.316	0.130	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN(CC(=O)NC2CCC(C)CC2)CC1	ZINC001609264482	1170904153	/nfs/dbraw/zinc/90/41/53/1170904153.db2.gz	QYXGIJKSOYDINR-YMAMQOFZSA-N	-1	0	323.437	0.938	20	30		DCEDRM
C=CCCOCC(=O)O[C@@H]1COC[C@H]1n1cc(C(=O)[O-])nn1	ZINC001609340871	1170945812	/nfs/dbraw/zinc/94/58/12/1170945812.db2.gz	BNLGGHXPFXVOMT-GHMZBOCLSA-N	-1	0	311.294	0.052	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001609356794	1170949961	/nfs/dbraw/zinc/94/99/61/1170949961.db2.gz	JHRLIAVROBAMJS-UHFFFAOYSA-N	-1	0	304.350	0.667	20	30		DCEDRM
C=CCN1CC[C@H](N[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)C1=O	ZINC001609399030	1170967598	/nfs/dbraw/zinc/96/75/98/1170967598.db2.gz	XOYBVANWNSYZEW-FZMZJTMJSA-N	-1	0	320.345	0.903	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C1CCN(CC(F)F)CC1)C(=O)[O-]	ZINC001609432485	1170974399	/nfs/dbraw/zinc/97/43/99/1170974399.db2.gz	WGIWJVCMCYILAJ-NSHDSACASA-N	-1	0	320.336	0.736	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N2CCC(C(=O)NCC#N)CC2)o1	ZINC001609445419	1170981393	/nfs/dbraw/zinc/98/13/93/1170981393.db2.gz	GEWQGZAEBXVCOC-UHFFFAOYSA-N	-1	0	316.325	0.019	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)NCc1ccccc1	ZINC001609445398	1170981564	/nfs/dbraw/zinc/98/15/64/1170981564.db2.gz	FJRYPUAMRITQCA-UHFFFAOYSA-N	-1	0	322.332	0.560	20	30		DCEDRM
Cc1oc(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001609468497	1170990144	/nfs/dbraw/zinc/99/01/44/1170990144.db2.gz	WUSXDAGLLRJBLG-UHFFFAOYSA-N	-1	0	324.322	0.132	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001609489280	1170995373	/nfs/dbraw/zinc/99/53/73/1170995373.db2.gz	YGPXKBXCRLDGPN-SECBINFHSA-N	-1	0	324.358	0.584	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC001609489005	1170995871	/nfs/dbraw/zinc/99/58/71/1170995871.db2.gz	QWNAWZQDGHOUKT-UHFFFAOYSA-N	-1	0	314.341	0.751	20	30		DCEDRM
C[C@@H](NC(=O)N1CC[C@@](O)(CC#N)C1)c1ncc(C(=O)[O-])s1	ZINC001609762390	1171080089	/nfs/dbraw/zinc/08/00/89/1171080089.db2.gz	KKZMXSIFJFUMJO-OQPBUACISA-N	-1	0	324.362	0.962	20	30		DCEDRM
C[C@@H](OC(=O)c1ccc(C(=O)[O-])nc1)C(=O)N(C)CCC#N	ZINC001609798013	1171088430	/nfs/dbraw/zinc/08/84/30/1171088430.db2.gz	KLHMSDIZFFSEJC-SECBINFHSA-N	-1	0	305.290	0.697	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1sccc1C#N	ZINC001609834571	1171099739	/nfs/dbraw/zinc/09/97/39/1171099739.db2.gz	NFYZQNXLAPRCRS-APPZFPTMSA-N	-1	0	307.331	0.880	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)Cn1nc(C(=O)[O-])cc1C(=O)OC	ZINC001609993163	1171132516	/nfs/dbraw/zinc/13/25/16/1171132516.db2.gz	ITJUONXBADIBQY-SECBINFHSA-N	-1	0	322.321	0.376	20	30		DCEDRM
CCc1oc(C=Nn2cnc3c(cnn3C)c2=O)cc1C(=O)[O-]	ZINC001610079541	1171150838	/nfs/dbraw/zinc/15/08/38/1171150838.db2.gz	KHIQWOGBXVTZBF-UHFFFAOYSA-N	-1	0	315.289	0.866	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](C)Oc1ccccc1C#N	ZINC001610153195	1171179474	/nfs/dbraw/zinc/17/94/74/1171179474.db2.gz	QDGIHPYDJCYVNA-GXSJLCMTSA-N	-1	0	320.301	0.458	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)nc1	ZINC001610179160	1171188402	/nfs/dbraw/zinc/18/84/02/1171188402.db2.gz	YYSOKGFTJDNKRK-JOYOIKCWSA-N	-1	0	317.301	0.432	20	30		DCEDRM
CO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@@H](C(=O)[O-])C1	ZINC001610239668	1171204618	/nfs/dbraw/zinc/20/46/18/1171204618.db2.gz	KGXKWDUOXNYYKX-WCBMZHEXSA-N	-1	0	314.319	0.404	20	30		DCEDRM
COc1ccc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1C#N	ZINC001610332416	1171220367	/nfs/dbraw/zinc/22/03/67/1171220367.db2.gz	IMVDXGQSSSTNKB-CYBMUJFWSA-N	-1	0	317.345	0.732	20	30		DCEDRM
N#CCCCNC(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC001610621253	1171271756	/nfs/dbraw/zinc/27/17/56/1171271756.db2.gz	CSLRROUXIBJGFD-UHFFFAOYSA-N	-1	0	303.318	0.463	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1	ZINC001610627579	1171272231	/nfs/dbraw/zinc/27/22/31/1171272231.db2.gz	CBFJLJDCEUZOBQ-AWEZNQCLSA-N	-1	0	317.345	0.925	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1	ZINC001610627477	1171272507	/nfs/dbraw/zinc/27/25/07/1171272507.db2.gz	IOBCMDDFOURBLU-UPJWGTAASA-N	-1	0	304.302	0.028	20	30		DCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	ZINC000048869024	1171674859	/nfs/dbraw/zinc/67/48/59/1171674859.db2.gz	RYZRGNGNANUWSX-UHFFFAOYSA-N	-1	0	303.296	0.714	20	30		DCEDRM
C=CCn1cc(C(=O)Nc2cccc(Cc3nn[nH]n3)c2)nn1	ZINC001637392777	1171764702	/nfs/dbraw/zinc/76/47/02/1171764702.db2.gz	AHYAXZHBTXYFLV-UHFFFAOYSA-N	-1	0	310.321	0.820	20	30		DCEDRM
COC[C@@H](NC(=O)C(=O)C=Cc1ccc(F)cc1)c1nnn[n-]1	ZINC001638139904	1171786610	/nfs/dbraw/zinc/78/66/10/1171786610.db2.gz	PFRDXYSDPZXMFA-TZOMUSMUSA-N	-1	0	319.296	0.425	20	30		DCEDRM
COC[C@H](NC(=O)C(=O)C=Cc1ccc(F)cc1)c1nnn[n-]1	ZINC001638139905	1171787178	/nfs/dbraw/zinc/78/71/78/1171787178.db2.gz	PFRDXYSDPZXMFA-ZPMKCOPCSA-N	-1	0	319.296	0.425	20	30		DCEDRM
N#Cc1nc(NC(=O)/C=C/COC2CCOCC2)[n-]c1C#N	ZINC001639319628	1171831508	/nfs/dbraw/zinc/83/15/08/1171831508.db2.gz	SHJDUHUMGNJOCY-OWOJBTEDSA-N	-1	0	301.306	0.843	20	30		DCEDRM
Cc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c(Cl)n1	ZINC001640339853	1171878233	/nfs/dbraw/zinc/87/82/33/1171878233.db2.gz	INSKLWITSFLIRB-UHFFFAOYSA-N	-1	0	305.725	0.914	20	30		DCEDRM
CC(C)[C@@H](NS(C)(=O)=O)C(=O)[N-]Oc1cccc(C#N)c1	ZINC001642628655	1171952614	/nfs/dbraw/zinc/95/26/14/1171952614.db2.gz	RCXSGJOVMUDCIQ-GFCCVEGCSA-N	-1	0	311.363	0.542	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)OC	ZINC001642698139	1171953620	/nfs/dbraw/zinc/95/36/20/1171953620.db2.gz	KKTZRSLZNHZNEU-VIFPVBQESA-N	-1	0	312.326	0.094	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N(Cc1nnn[n-]1)CC(C)C	ZINC001644716896	1172018795	/nfs/dbraw/zinc/01/87/95/1172018795.db2.gz	GIGFNDXXXVNDMY-LBPRGKRZSA-N	-1	0	308.386	0.655	20	30		DCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(CC#N)cc1	ZINC001645693937	1172105391	/nfs/dbraw/zinc/10/53/91/1172105391.db2.gz	BWACWRSEDFRWAJ-LBPRGKRZSA-N	-1	0	312.347	0.473	20	30		DCEDRM
Cn1c(=O)[n-]c(SC2CCC3(CC2)OCCO3)c(C#N)c1=O	ZINC001646634652	1172450244	/nfs/dbraw/zinc/45/02/44/1172450244.db2.gz	HXXOAENXWMZUMK-UHFFFAOYSA-N	-1	0	323.374	0.723	20	30		DCEDRM
CNC(=O)CCN(C)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001649696673	1173169646	/nfs/dbraw/zinc/16/96/46/1173169646.db2.gz	GFLAAFIICNUASA-UHFFFAOYSA-N	-1	0	308.363	0.589	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)CO[C@@H]1CCOC1)cc2=O	ZINC001649777494	1173217499	/nfs/dbraw/zinc/21/74/99/1173217499.db2.gz	WTNJQUMKCJTLOS-LLVKDONJSA-N	-1	0	318.289	0.155	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](C2CCC2)[C@H]2CCCO2)c(C#N)c1=O	ZINC001650230495	1173524944	/nfs/dbraw/zinc/52/49/44/1173524944.db2.gz	BTZHNYWSLPGTSV-VXGBXAGGSA-N	-1	0	304.350	0.705	20	30		DCEDRM
Cn1c(=O)[n-]c(Sc2nnc3ccccn32)c(C#N)c1=O	ZINC001654873850	1173812173	/nfs/dbraw/zinc/81/21/73/1173812173.db2.gz	BRHOCJMONVBRCS-UHFFFAOYSA-N	-1	0	300.303	0.139	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)Oc2cccc(C#N)c2)[n-]n1	ZINC001660311630	1173973919	/nfs/dbraw/zinc/97/39/19/1173973919.db2.gz	BAJNKRPIYUNERQ-UHFFFAOYSA-N	-1	0	307.287	0.836	20	30		DCEDRM
C=CCS(=O)(=O)CCNS(=O)(=O)c1cc([O-])cc(F)c1	ZINC001661051678	1174092470	/nfs/dbraw/zinc/09/24/70/1174092470.db2.gz	RBHFXXWCVOZLGX-UHFFFAOYSA-N	-1	0	323.367	0.410	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)CCOC(C)(C)C)C(=O)OC	ZINC001663037881	1174260619	/nfs/dbraw/zinc/26/06/19/1174260619.db2.gz	QJENFWGMEUUEHV-LLVKDONJSA-N	-1	0	323.411	0.465	20	30		DCEDRM
C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC001665175236	1174489349	/nfs/dbraw/zinc/48/93/49/1174489349.db2.gz	QOHRPAUMTOHCKN-SECBINFHSA-N	-1	0	303.336	0.672	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001673043987	1175168481	/nfs/dbraw/zinc/16/84/81/1175168481.db2.gz	HBRDQOWRIRDHNN-LLVKDONJSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=CCCCN1CC2(C1)C[C@@H](NC(=O)c1[nH]nc(C)c1[O-])CO2	ZINC001673557336	1175213228	/nfs/dbraw/zinc/21/32/28/1175213228.db2.gz	XOEGMBWAUQDYDX-GFCCVEGCSA-N	-1	0	320.393	0.963	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@H](C)C2CN(CC#N)C2)cc1=O	ZINC001675322649	1175346707	/nfs/dbraw/zinc/34/67/07/1175346707.db2.gz	MVKQNWLCVUXGRB-GFCCVEGCSA-N	-1	0	319.409	0.335	20	30		DCEDRM
C#CCOCCC(=O)N(C)[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001678128571	1175625997	/nfs/dbraw/zinc/62/59/97/1175625997.db2.gz	FHLJJZLJYHWYPZ-JTQLQIEISA-N	-1	0	322.365	0.040	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1	ZINC001687907360	1175876508	/nfs/dbraw/zinc/87/65/08/1175876508.db2.gz	MXNHYCMLEUPNGO-LLVKDONJSA-N	-1	0	320.349	0.106	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1	ZINC001685649654	1176039049	/nfs/dbraw/zinc/03/90/49/1176039049.db2.gz	ODYNMNGRKXLEJK-NWDGAFQWSA-N	-1	0	321.381	0.387	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001688603076	1176536507	/nfs/dbraw/zinc/53/65/07/1176536507.db2.gz	RGVDSDQLGJZUSJ-SECBINFHSA-N	-1	0	306.366	0.967	20	30		DCEDRM
N#CCN[C@@H]1CCC[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC001690775589	1177323125	/nfs/dbraw/zinc/32/31/25/1177323125.db2.gz	WMAIHFVXSHDFSH-GHMZBOCLSA-N	-1	0	322.369	0.010	20	30		DCEDRM
N#CCN[C@@H]1CCC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC001690775590	1177323200	/nfs/dbraw/zinc/32/32/00/1177323200.db2.gz	WMAIHFVXSHDFSH-MNOVXSKESA-N	-1	0	322.369	0.010	20	30		DCEDRM
C=CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001691838799	1177369533	/nfs/dbraw/zinc/36/95/33/1177369533.db2.gz	CAYWDHURHVJBIG-TXEJJXNPSA-N	-1	0	321.381	0.278	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)C#CC(C)C)c1[O-]	ZINC001701186909	1178950869	/nfs/dbraw/zinc/95/08/69/1178950869.db2.gz	QKUNSCKBSQLHBY-SNVBAGLBSA-N	-1	0	306.366	0.660	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(CCNC(=O)C#CC(C)C)C2CC2)c1[O-]	ZINC001704411343	1180002956	/nfs/dbraw/zinc/00/29/56/1180002956.db2.gz	XIXSOYSURLUNCR-UHFFFAOYSA-N	-1	0	318.377	0.804	20	30		DCEDRM
CC[C@H](CNC(=O)C#CC(C)C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001704641700	1180100063	/nfs/dbraw/zinc/10/00/63/1180100063.db2.gz	ISLJIECXENTGIH-LLVKDONJSA-N	-1	0	306.366	0.708	20	30		DCEDRM
CC#CCCCC(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001705126682	1180270956	/nfs/dbraw/zinc/27/09/56/1180270956.db2.gz	ORJLNQVJPDJSBN-JTQLQIEISA-N	-1	0	306.366	0.852	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1CC	ZINC001707193080	1180431780	/nfs/dbraw/zinc/43/17/80/1180431780.db2.gz	XTLUHCXQWYKIFO-FIXISWKDSA-N	-1	0	323.397	0.307	20	30		DCEDRM
C=CCN1CC[C@@H]1CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001716654424	1182481834	/nfs/dbraw/zinc/48/18/34/1182481834.db2.gz	BVLMLBBNYODXEX-CQSZACIVSA-N	-1	0	306.410	0.751	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCNC(=O)C#CC(C)(C)C)c1[O-]	ZINC001720257800	1183535338	/nfs/dbraw/zinc/53/53/38/1183535338.db2.gz	XXXBOFDTHFSNGI-UHFFFAOYSA-N	-1	0	306.366	0.709	20	30		DCEDRM
C=CCCCC(=O)N[C@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001721021660	1183802401	/nfs/dbraw/zinc/80/24/01/1183802401.db2.gz	PKONSVZKRVWXMY-SECBINFHSA-N	-1	0	323.353	0.264	20	30		DCEDRM
C[C@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H]1CNCC#N	ZINC001724610026	1184472701	/nfs/dbraw/zinc/47/27/01/1184472701.db2.gz	DUQMEWIOCURIFJ-UWVGGRQHSA-N	-1	0	315.333	0.750	20	30		DCEDRM
C#Cc1ccc(C(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)nc1	ZINC001731277832	1185237843	/nfs/dbraw/zinc/23/78/43/1185237843.db2.gz	FQKQCVCXDIADNX-UHFFFAOYSA-N	-1	0	314.349	0.139	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCCNC(=O)[C@@H](C)C#N)c1[O-]	ZINC001735043685	1186787664	/nfs/dbraw/zinc/78/76/64/1186787664.db2.gz	RZGYWJOATBSRSJ-IUCAKERBSA-N	-1	0	307.354	0.598	20	30		DCEDRM
C=C(C)CCC(=O)N(C)C[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001739042270	1187731699	/nfs/dbraw/zinc/73/16/99/1187731699.db2.gz	AGEJOZSGWRZVOC-NSHDSACASA-N	-1	0	324.381	0.329	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1C[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001739821028	1187853872	/nfs/dbraw/zinc/85/38/72/1187853872.db2.gz	JNVORAMUEQHCGT-TXEJJXNPSA-N	-1	0	318.377	0.852	20	30		DCEDRM
C=C(C)CCC(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001742441115	1187983395	/nfs/dbraw/zinc/98/33/95/1187983395.db2.gz	MTDSVTLSZXHEKF-UHFFFAOYSA-N	-1	0	317.349	0.225	20	30		DCEDRM
CCN(CCCNC(=O)c1[nH]nc(C)c1[O-])C(=O)[C@@H](C)C#N	ZINC001743834519	1188166718	/nfs/dbraw/zinc/16/67/18/1188166718.db2.gz	CSBRUKGOTILCJL-VIFPVBQESA-N	-1	0	307.354	0.552	20	30		DCEDRM
C=C[C@H](CC)CC(=O)N1CC(CCO)(NC(=O)c2cn[nH]n2)C1	ZINC001756085097	1189291865	/nfs/dbraw/zinc/29/18/65/1189291865.db2.gz	VARQXTSDHBFQBU-LLVKDONJSA-N	-1	0	321.381	0.100	20	30		DCEDRM
C=CCCC(=O)N(CC)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001756857918	1189466826	/nfs/dbraw/zinc/46/68/26/1189466826.db2.gz	RLDUXNQBJGHSBP-SECBINFHSA-N	-1	0	323.353	0.216	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001760013872	1190362382	/nfs/dbraw/zinc/36/23/82/1190362382.db2.gz	ADLSAOYCDLHORG-MRXNPFEDSA-N	-1	0	318.377	0.948	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNc2cncc(C#N)n2)c1[O-]	ZINC001107125868	751876264	/nfs/dbraw/zinc/87/62/64/751876264.db2.gz	DVKUAGIZGSHOSM-IHWYPQMZSA-N	-1	0	313.321	0.484	20	30		DCEDRM
C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001047596978	754422434	/nfs/dbraw/zinc/42/24/34/754422434.db2.gz	CFMQMECSRRQLGL-QWRGUYRKSA-N	-1	0	318.333	0.232	20	30		DCEDRM
C=CCCCC(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001108168462	754854022	/nfs/dbraw/zinc/85/40/22/754854022.db2.gz	ASCGBCGZPHRDFR-OAHLLOKOSA-N	-1	0	323.397	0.574	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(c3ccncc3C#N)C2)c1[O-]	ZINC001058328232	759894643	/nfs/dbraw/zinc/89/46/43/759894643.db2.gz	NHLFIQNKYLMQGW-NSHDSACASA-N	-1	0	312.333	0.699	20	30		DCEDRM
COc1ccc(C(=NO)Nc2cccc(S(=O)(=O)[O-])n2)nc1	ZINC001169600066	760742855	/nfs/dbraw/zinc/74/28/55/760742855.db2.gz	MYPUOBKXNOVBLY-UHFFFAOYSA-N	-1	0	324.318	0.980	20	30		DCEDRM
COC(=O)Cc1ccnc([N-]c2c(C#N)cnn2C(=O)OC)n1	ZINC001169964481	760941148	/nfs/dbraw/zinc/94/11/48/760941148.db2.gz	CMPWBFRQQVNWHJ-UHFFFAOYSA-N	-1	0	316.277	0.618	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nnc(Cl)nc1OC	ZINC001169964990	760941745	/nfs/dbraw/zinc/94/17/45/760941745.db2.gz	KYVBLOKSNOYPSP-UHFFFAOYSA-N	-1	0	309.673	0.960	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001109213148	761307221	/nfs/dbraw/zinc/30/72/21/761307221.db2.gz	NCGPELJZITXLBB-LMCGPQHNSA-N	-1	0	321.381	0.059	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001113998812	762750313	/nfs/dbraw/zinc/75/03/13/762750313.db2.gz	DNHZETCIRYYCRA-DCQANWLSSA-N	-1	0	321.381	0.038	20	30		DCEDRM
Cc1cc(=O)n(-c2ccc(N[C@@H]3C(=O)N(O)C[C@@H]3C)nn2)[n-]1	ZINC001171363256	768120871	/nfs/dbraw/zinc/12/08/71/768120871.db2.gz	VYJIIEFGXKWPLX-MADCSZMMSA-N	-1	0	304.310	0.237	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCNc2cncc(C#N)n2)c1[O-]	ZINC001101555449	764153730	/nfs/dbraw/zinc/15/37/30/764153730.db2.gz	SIKQKLWIMRECQZ-UHFFFAOYSA-N	-1	0	301.310	0.270	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001111666714	765348564	/nfs/dbraw/zinc/34/85/64/765348564.db2.gz	KBCXKROODWSKJN-BHDSKKPTSA-N	-1	0	304.354	0.141	20	30		DCEDRM
C=CC[C@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)[O-]	ZINC001116921613	765927391	/nfs/dbraw/zinc/92/73/91/765927391.db2.gz	DJQDRJHZBSOFPA-VIFPVBQESA-N	-1	0	316.335	0.088	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-]	ZINC001119645464	766759009	/nfs/dbraw/zinc/75/90/09/766759009.db2.gz	SYTYGOVLYJYOAH-STQMWFEESA-N	-1	0	308.378	0.613	20	30		DCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2c3c(nn2C)CCOC3)C(=O)O1	ZINC001120077692	766895313	/nfs/dbraw/zinc/89/53/13/766895313.db2.gz	AFBBRABNOHAEBU-ABCZVMIZSA-N	-1	0	316.313	0.721	20	30		DCEDRM
N=C(Nc1cccc(S(=O)(=O)[O-])n1)c1ccc(C(N)=O)cc1	ZINC001171252606	767267853	/nfs/dbraw/zinc/26/78/53/767267853.db2.gz	LUSOCGHEXLJRGY-UHFFFAOYSA-N	-1	0	320.330	0.464	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnn1C1CCOCC1	ZINC001120905664	767308464	/nfs/dbraw/zinc/30/84/64/767308464.db2.gz	VPPGBEGCGWREJD-SNVBAGLBSA-N	-1	0	308.338	0.795	20	30		DCEDRM
C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC001146229717	767412609	/nfs/dbraw/zinc/41/26/09/767412609.db2.gz	GJAKUVUFSFAXNC-XLKFXECMSA-N	-1	0	323.353	0.596	20	30		DCEDRM
[NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)C1CC=CC1	ZINC001146704283	767498255	/nfs/dbraw/zinc/49/82/55/767498255.db2.gz	WKEZTOZIQQIBGJ-JTQLQIEISA-N	-1	0	324.339	0.495	20	30		DCEDRM
C=CCO[C@@H]1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC=C)C1	ZINC001121561617	767591644	/nfs/dbraw/zinc/59/16/44/767591644.db2.gz	JZOJRFBQGVTZGT-LLVKDONJSA-N	-1	0	316.365	0.469	20	30		DCEDRM
C=C(C)CCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001147640221	767801567	/nfs/dbraw/zinc/80/15/67/767801567.db2.gz	QQAYZLNOZMCTHD-UHFFFAOYSA-N	-1	0	305.382	0.901	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@@H]1CC[C@@H]1OC	ZINC001122513615	767821382	/nfs/dbraw/zinc/82/13/82/767821382.db2.gz	XQHSQSGPIHXRGW-NEPJUHHUSA-N	-1	0	318.381	0.692	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C[C@@H](C)O)C1CC1	ZINC001122602277	767840316	/nfs/dbraw/zinc/84/03/16/767840316.db2.gz	PAAPBIRDRVBDMN-SNVBAGLBSA-N	-1	0	318.381	0.428	20	30		DCEDRM
C=CCOCCCC(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001233489848	769372748	/nfs/dbraw/zinc/37/27/48/769372748.db2.gz	MYCPIVQCKACOOD-LBPRGKRZSA-N	-1	0	323.397	0.526	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c(N)ncnc1Cl	ZINC001233630097	769413893	/nfs/dbraw/zinc/41/38/93/769413893.db2.gz	CPTKFWFTJIADTD-ZETCQYMHSA-N	-1	0	323.758	0.550	20	30		DCEDRM
C#CCC1(C(=O)NCC[NH2+]Cc2n[nH]c(=O)[n-]2)CCCCC1	ZINC001153009754	769693832	/nfs/dbraw/zinc/69/38/32/769693832.db2.gz	RXBZHRHZIOKDFN-UHFFFAOYSA-N	-1	0	305.382	0.690	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2cccc3[nH]ccc32)c(=O)[n-]c1=O	ZINC001175416872	769898196	/nfs/dbraw/zinc/89/81/96/769898196.db2.gz	UHCDCPMWPDCQOB-UHFFFAOYSA-N	-1	0	323.312	0.618	20	30		DCEDRM
N#Cc1cn(CCC(=O)NOC2CCCCC2)c(=O)[n-]c1=O	ZINC001155055523	770380547	/nfs/dbraw/zinc/38/05/47/770380547.db2.gz	IRZXFIYYFWSXIH-UHFFFAOYSA-N	-1	0	306.322	0.591	20	30		DCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)Cc1ccnc(C#N)c1	ZINC001177673143	770524001	/nfs/dbraw/zinc/52/40/01/770524001.db2.gz	BHJKQVQZGJJDDI-NSHDSACASA-N	-1	0	305.290	0.018	20	30		DCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1nc2ccccc2[nH]1	ZINC001186764969	772088559	/nfs/dbraw/zinc/08/85/59/772088559.db2.gz	XYGXWQBRLCFVLW-QMMMGPOBSA-N	-1	0	310.317	0.995	20	30		DCEDRM
C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1	ZINC001189778275	772530644	/nfs/dbraw/zinc/53/06/44/772530644.db2.gz	QDXAGIQFJGDBHT-SSDOTTSWSA-N	-1	0	323.754	0.935	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)C(Cl)(Cl)Cl)C(=O)OC	ZINC001192048995	772856931	/nfs/dbraw/zinc/85/69/31/772856931.db2.gz	CPCKNKLEMSGEPI-YFKPBYRVSA-N	-1	0	308.570	0.798	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)c1cc(C(=O)OC)ccc1[O-]	ZINC001192399619	772918941	/nfs/dbraw/zinc/91/89/41/772918941.db2.gz	CRTWYQVWBMFHKM-SNVBAGLBSA-N	-1	0	306.274	0.364	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1cc(N2CCOCC2)cc(Cl)n1	ZINC001192943637	772976736	/nfs/dbraw/zinc/97/67/36/772976736.db2.gz	SQUACLJDTNULKO-UHFFFAOYSA-N	-1	0	316.770	0.837	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1nc(N(C)C)[nH]c(=O)c1N=O	ZINC001193106572	773005959	/nfs/dbraw/zinc/00/59/59/773005959.db2.gz	HDZPHPKRPHLVJZ-YFKPBYRVSA-N	-1	0	300.300	0.300	20	30		DCEDRM
N#Cc1cc(C(=O)N2Cc3ccnn3CC[C@@H]2CO)ccc1[O-]	ZINC001193504301	773075255	/nfs/dbraw/zinc/07/52/55/773075255.db2.gz	QDPRLZHSMARJLA-CQSZACIVSA-N	-1	0	312.329	0.867	20	30		DCEDRM
N#Cc1cc(C(=O)NCC2(N3CCCC3)COC2)ccc1[O-]	ZINC001193515586	773077158	/nfs/dbraw/zinc/07/71/58/773077158.db2.gz	PBASXPKYYUNVSU-UHFFFAOYSA-N	-1	0	301.346	0.858	20	30		DCEDRM
COC(=O)Cn1cc(NC(=O)c2cccc(C#N)c2[O-])cn1	ZINC001193635524	773092994	/nfs/dbraw/zinc/09/29/94/773092994.db2.gz	WAWDLXSBWJJVMW-UHFFFAOYSA-N	-1	0	300.274	0.886	20	30		DCEDRM
CC(C)(C)OC(=O)[C@H](CO)NC(=O)c1cccc(C#N)c1[O-]	ZINC001193657760	773099299	/nfs/dbraw/zinc/09/92/99/773099299.db2.gz	DXAFPUWGPPNGSE-NSHDSACASA-N	-1	0	306.318	0.696	20	30		DCEDRM
COC(=O)CCCCS(=O)(=O)[N-]c1ncn(C)c1C#N	ZINC001196924529	773663296	/nfs/dbraw/zinc/66/32/96/773663296.db2.gz	IFPSWHWVNAZVME-UHFFFAOYSA-N	-1	0	300.340	0.377	20	30		DCEDRM
C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1nocc1C)C(=O)OC	ZINC001213385176	773840511	/nfs/dbraw/zinc/84/05/11/773840511.db2.gz	OOJZLRNVSFSXPK-SNVBAGLBSA-N	-1	0	302.352	0.910	20	30		DCEDRM
C=CCOC(=O)c1c(N)nn(-c2cc(C(=O)[O-])cnc2F)c1N	ZINC001215121988	774041347	/nfs/dbraw/zinc/04/13/47/774041347.db2.gz	ARYFDIMQAUUPRZ-UHFFFAOYSA-N	-1	0	321.268	0.612	20	30		DCEDRM
COc1ccc2nc(NC(=O)c3cnc(C#N)cn3)nnc2c1	ZINC001199662382	774168038	/nfs/dbraw/zinc/16/80/38/774168038.db2.gz	UWFDCNLNOPIYEO-UHFFFAOYSA-N	-1	0	307.273	0.947	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ccc(C#N)nc1	ZINC001222960799	775444553	/nfs/dbraw/zinc/44/45/53/775444553.db2.gz	HQACAHHSWGDINL-ZDUSSCGKSA-N	-1	0	312.347	0.929	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC/C=C/C(=O)OCC	ZINC001224345593	775562190	/nfs/dbraw/zinc/56/21/90/775562190.db2.gz	VLRBYFPPHIWTOP-QRGHLMKCSA-N	-1	0	308.352	0.581	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCCCOC(C)=O	ZINC001224721304	775599644	/nfs/dbraw/zinc/59/96/44/775599644.db2.gz	YBUOJQULOXYVLG-GFCCVEGCSA-N	-1	0	310.368	0.805	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc([N+](=O)[O-])cn1	ZINC001225631765	775702030	/nfs/dbraw/zinc/70/20/30/775702030.db2.gz	HXBZLUTZWSGVLK-JTQLQIEISA-N	-1	0	318.307	0.828	20	30		DCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1nc(C(=O)OC)cc(=O)[n-]1	ZINC001225733765	775712788	/nfs/dbraw/zinc/71/27/88/775712788.db2.gz	FOYNBVMZXDSLGY-MRVPVSSYSA-N	-1	0	309.278	0.583	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C(=O)OC)on1	ZINC001226150860	775772832	/nfs/dbraw/zinc/77/28/32/775772832.db2.gz	QMLRIQLXISNMEX-MRVPVSSYSA-N	-1	0	321.307	0.299	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1[nH]nc2ncccc21	ZINC001226302733	775796526	/nfs/dbraw/zinc/79/65/26/775796526.db2.gz	NYJQJQZBGGLCLB-VIFPVBQESA-N	-1	0	313.335	0.796	20	30		DCEDRM
COC(=O)c1[n-]c(=O)nc(O[C@@H]2CC[C@@H](C#N)C2)c1[N+](=O)[O-]	ZINC001226653463	775856302	/nfs/dbraw/zinc/85/63/02/775856302.db2.gz	VETPWRYUCAYRCQ-RNFRBKRXSA-N	-1	0	308.250	0.948	20	30		DCEDRM
C#C[C@H](Oc1[n-]c(=O)ncc1Br)C(=O)OCC	ZINC001227137165	775934335	/nfs/dbraw/zinc/93/43/35/775934335.db2.gz	FVVBZBGBGWPLFB-ZETCQYMHSA-N	-1	0	301.096	0.888	20	30		DCEDRM
CC(C)(C)CCCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001228478650	776087264	/nfs/dbraw/zinc/08/72/64/776087264.db2.gz	LVOOPIAYVUTIQX-UHFFFAOYSA-N	-1	0	321.381	0.946	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1n[nH]c2c1CCC2	ZINC001229326862	776182123	/nfs/dbraw/zinc/18/21/23/776182123.db2.gz	PIONGMFDDWLVEN-VIFPVBQESA-N	-1	0	302.352	0.736	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncnc(C)c1F	ZINC001230016792	776244479	/nfs/dbraw/zinc/24/44/79/776244479.db2.gz	JUFWZNMTZZWHHL-VIFPVBQESA-N	-1	0	306.315	0.762	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc[nH]c1C(=O)OC	ZINC001230505805	776324936	/nfs/dbraw/zinc/32/49/36/776324936.db2.gz	YVPAKKUUOTYQCU-VIFPVBQESA-N	-1	0	319.335	0.639	20	30		DCEDRM
C=CCCC(=O)N(C)CCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001066985642	776585793	/nfs/dbraw/zinc/58/57/93/776585793.db2.gz	YPTWLJXTHALTHL-UHFFFAOYSA-N	-1	0	323.353	0.170	20	30		DCEDRM
C#CCOC1CCN(S(=O)(=O)[C@@H]2CCC[C@H]2C(=O)[O-])CC1	ZINC001465107511	804090066	/nfs/dbraw/zinc/09/00/66/804090066.db2.gz	RQEWIPNJOYFSTB-CHWSQXEVSA-N	-1	0	315.391	0.684	20	30		DCEDRM
C=CC1(NS(=O)(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])CCOCC1	ZINC001465118209	804180461	/nfs/dbraw/zinc/18/04/61/804180461.db2.gz	WYAXVQYBRAIFOO-WDEREUQCSA-N	-1	0	303.380	0.894	20	30		DCEDRM
Cc1cc(F)c(S(=O)(=O)O[C@H]2CNOC2)cc1C(=O)[O-]	ZINC001600227283	1168141659	/nfs/dbraw/zinc/14/16/59/1168141659.db2.gz	DOJZNJOPKALGNX-ZETCQYMHSA-N	-1	0	305.283	0.441	20	30		DCEDRM
N#CC1(CCCN2CCNC(=O)[C@H]2CC(=O)[O-])CCOCC1	ZINC001601054715	1168578210	/nfs/dbraw/zinc/57/82/10/1168578210.db2.gz	REPXNUSNEMRYIX-GFCCVEGCSA-N	-1	0	309.366	0.362	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@H](CF)C(=O)[O-])c(F)c1	ZINC001601102411	1168585792	/nfs/dbraw/zinc/58/57/92/1168585792.db2.gz	PTNYAFPTLDEDFA-SNVBAGLBSA-N	-1	0	304.274	0.539	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)NC1(C(=O)[O-])CC(CO)C1	ZINC001601135792	1168594370	/nfs/dbraw/zinc/59/43/70/1168594370.db2.gz	OGVTWFAYEIXZJN-UHFFFAOYSA-N	-1	0	316.360	0.124	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2c(C)csc2C(=O)[O-])C1	ZINC001602678814	1169157061	/nfs/dbraw/zinc/15/70/61/1169157061.db2.gz	PZORCMMJLZTRRS-UHFFFAOYSA-N	-1	0	310.306	0.877	20	30		DCEDRM
C#CCCCNC(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001602705301	1169165937	/nfs/dbraw/zinc/16/59/37/1169165937.db2.gz	NKCDKQYJYXCBSW-UHFFFAOYSA-N	-1	0	323.374	0.973	20	30		DCEDRM
C#CCO[C@H](C)C(=O)O[C@H]1C[C@H](C(=O)OC)C[C@H](C(=O)[O-])C1	ZINC001602725726	1169172335	/nfs/dbraw/zinc/17/23/35/1169172335.db2.gz	GNAYFDQPGCTTQG-WRWGMCAJSA-N	-1	0	312.318	0.610	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(CC)C1=O)C(=O)[O-]	ZINC001602749183	1169178115	/nfs/dbraw/zinc/17/81/15/1169178115.db2.gz	QAJDEQVLUHOONE-YMTOWFKASA-N	-1	0	311.338	0.243	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccn(CC(F)F)n1)C(=O)[O-]	ZINC001602913014	1169202486	/nfs/dbraw/zinc/20/24/86/1169202486.db2.gz	GISORFMRMTUZAE-SECBINFHSA-N	-1	0	303.265	0.534	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@@H](C)CNCC#N)cc1=O	ZINC001267994354	939724894	/nfs/dbraw/zinc/72/48/94/939724894.db2.gz	QLIGMKGHZFUVFH-LBPRGKRZSA-N	-1	0	307.398	0.240	20	30		DCEDRM
C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc([O-])[nH]c(=O)c1	ZINC001269380963	940696124	/nfs/dbraw/zinc/69/61/24/940696124.db2.gz	ASQSYGMFDAGEFC-VXGBXAGGSA-N	-1	0	315.329	0.332	20	30		DCEDRM
CC(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001269660597	940752611	/nfs/dbraw/zinc/75/26/11/940752611.db2.gz	OTMYAFGPPGBODP-BETUJISGSA-N	-1	0	317.393	0.735	20	30		DCEDRM
C[C@@H]1CCC[C@H](C)N1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412940703	942147543	/nfs/dbraw/zinc/14/75/43/942147543.db2.gz	MYJRVZWFWZIKNE-PHIMTYICSA-N	-1	0	319.365	0.505	20	30		DCEDRM
N#Cc1cnc(NC[C@@H](O)CNC(=O)c2ccccc2O)cn1	ZINC001105756381	942537593	/nfs/dbraw/zinc/53/75/93/942537593.db2.gz	UGIJVLKHRFNECX-LLVKDONJSA-N	-1	0	313.317	0.257	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cc(=O)c(O)cn1C	ZINC001413191571	942552630	/nfs/dbraw/zinc/55/26/30/942552630.db2.gz	FEHJQZVCBKWMNJ-UHFFFAOYSA-N	-1	0	314.301	0.302	20	30		DCEDRM
C=CCN1CC[C@]2(CCCN2C(=O)c2cc(=O)n(C)[n-]2)C1=O	ZINC001272355772	942711056	/nfs/dbraw/zinc/71/10/56/942711056.db2.gz	YXSZOTTUBZFEKA-OAHLLOKOSA-N	-1	0	304.350	0.519	20	30		DCEDRM
C#CCN1CCC2(CCN(C(=O)c3cc(=O)n(C)[n-]3)CC2)C1=O	ZINC001272355095	942712010	/nfs/dbraw/zinc/71/20/10/942712010.db2.gz	QTHICCCALQGLNZ-UHFFFAOYSA-N	-1	0	316.361	0.214	20	30		DCEDRM
N#CCNCC[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001272617027	942869735	/nfs/dbraw/zinc/86/97/35/942869735.db2.gz	RYHRYVFSHZIFMX-SNVBAGLBSA-N	-1	0	315.333	0.894	20	30		DCEDRM
C[C@H](CCCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H](C)C#N	ZINC001604132623	1169501885	/nfs/dbraw/zinc/50/18/85/1169501885.db2.gz	MYECUIBTEWMFRF-VHSXEESVSA-N	-1	0	305.338	0.453	20	30		DCEDRM
C=CCN1C(=O)COCC12CN(Cc1ccc(C(=O)[O-])o1)C2	ZINC001272758976	944213636	/nfs/dbraw/zinc/21/36/36/944213636.db2.gz	ZAEZIKSAFUTCPC-UHFFFAOYSA-N	-1	0	306.318	0.577	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001319319512	945556571	/nfs/dbraw/zinc/55/65/71/945556571.db2.gz	RPBZSMJSLCPWJU-XHDPSFHLSA-N	-1	0	323.397	0.430	20	30		DCEDRM
COCCCOCC(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001319836363	945676806	/nfs/dbraw/zinc/67/68/06/945676806.db2.gz	KTHBOLSIXYRJSU-UHFFFAOYSA-N	-1	0	312.347	0.416	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001487415665	945722693	/nfs/dbraw/zinc/72/26/93/945722693.db2.gz	QLBLJGHECOJRFV-SZEHBUNVSA-N	-1	0	305.338	0.208	20	30		DCEDRM
C=CC[C@H](NC(=O)NCCc1nnc2n1CCCCC2)C(=O)[O-]	ZINC001321582645	946389462	/nfs/dbraw/zinc/38/94/62/946389462.db2.gz	HYHQZCNHLPCDSD-NSHDSACASA-N	-1	0	321.381	0.876	20	30		DCEDRM
C=CC[C@H](NC(=O)CNC(=O)c1ccccc1OCC)C(=O)[O-]	ZINC001321658799	946416515	/nfs/dbraw/zinc/41/65/15/946416515.db2.gz	WYNAKYRPKXJMHX-LBPRGKRZSA-N	-1	0	320.345	0.961	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)NC[C@H]3C=CCC3)C2)c(=O)[n-]c1=O	ZINC001254697274	946423394	/nfs/dbraw/zinc/42/33/94/946423394.db2.gz	ZRDXWPCVJJYNLF-JTQLQIEISA-N	-1	0	315.333	0.353	20	30		DCEDRM
C=C/C=C\CCNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001254872379	946443569	/nfs/dbraw/zinc/44/35/69/946443569.db2.gz	UNARFKLZALBEBU-ARJAWSKDSA-N	-1	0	315.333	0.519	20	30		DCEDRM
C=C[C@@H]1C[C@]1(N[C@H](CC)CC#N)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001255156158	946473795	/nfs/dbraw/zinc/47/37/95/946473795.db2.gz	FRJFMKJMCBZWJX-JTNHKYCSSA-N	-1	0	311.407	0.821	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)[N-]O[C@@H]2CCCCO2)n(CCC#N)n1	ZINC001255532121	946523901	/nfs/dbraw/zinc/52/39/01/946523901.db2.gz	VABYKXCKUVZRRN-GFCCVEGCSA-N	-1	0	321.337	0.618	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001602675206	971246618	/nfs/dbraw/zinc/24/66/18/971246618.db2.gz	MFGOKDPQRGZDNH-JTQLQIEISA-N	-1	0	308.338	0.599	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)[O-]	ZINC001256559497	946641969	/nfs/dbraw/zinc/64/19/69/946641969.db2.gz	BYUYKDGOJJYDON-SECBINFHSA-N	-1	0	315.351	0.024	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F	ZINC001602679553	971261477	/nfs/dbraw/zinc/26/14/77/971261477.db2.gz	STSLGVAGFXXROD-UWVGGRQHSA-N	-1	0	323.267	0.517	20	30		DCEDRM
COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C#N)n(C)n1	ZINC001258201877	946809140	/nfs/dbraw/zinc/80/91/40/946809140.db2.gz	OZNDZMUZKHBLMP-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)OC)C[C@H]21	ZINC001602688820	971292521	/nfs/dbraw/zinc/29/25/21/971292521.db2.gz	XDDVVEIXLGJWFD-KKOKHZNYSA-N	-1	0	308.334	0.304	20	30		DCEDRM
COC(=O)c1sccc1S(=O)(=O)[N-]c1cncc(C#N)n1	ZINC001259005503	946888837	/nfs/dbraw/zinc/88/88/37/946888837.db2.gz	RFOXQMSMVMAFTA-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1nc(Cl)cc(C)c1C#N	ZINC001259020333	946894637	/nfs/dbraw/zinc/89/46/37/946894637.db2.gz	PJOXJLMIYFCXQM-UHFFFAOYSA-N	-1	0	303.727	0.830	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(N2CCOC2=O)c1	ZINC001602692253	971301060	/nfs/dbraw/zinc/30/10/60/971301060.db2.gz	IKPBNKJONONHML-UHFFFAOYSA-N	-1	0	302.286	0.803	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1ccc([N+](=O)[O-])cc1C	ZINC001602695430	971307844	/nfs/dbraw/zinc/30/78/44/971307844.db2.gz	FTYCTUYGBIGBCX-UHFFFAOYSA-N	-1	0	305.290	0.862	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]c2c(C#N)cnn2C(=O)OC)cn1	ZINC001259842036	946999031	/nfs/dbraw/zinc/99/90/31/946999031.db2.gz	WBCICIMGEXJHNJ-UHFFFAOYSA-N	-1	0	324.322	0.386	20	30		DCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(OC)cc1	ZINC001259902953	947011958	/nfs/dbraw/zinc/01/19/58/947011958.db2.gz	DRSZBCWRNRVVBZ-LBPRGKRZSA-N	-1	0	312.347	0.570	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1ccn(C)n1	ZINC001259944019	947032486	/nfs/dbraw/zinc/03/24/86/947032486.db2.gz	BZMJGVJMJJZFDO-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)C=C)n1C[C@H]1CCCO1	ZINC001602700601	971318597	/nfs/dbraw/zinc/31/85/97/971318597.db2.gz	AQUZDRFGFBBHRC-VXGBXAGGSA-N	-1	0	320.349	0.201	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](C)N2CCSCC2)n1C	ZINC001602700711	971320533	/nfs/dbraw/zinc/32/05/33/971320533.db2.gz	FTJOBRRLGGCWIN-LLVKDONJSA-N	-1	0	323.422	0.449	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1cnc(C#N)c(Cl)c1	ZINC001260585023	947117566	/nfs/dbraw/zinc/11/75/66/947117566.db2.gz	KLAJEFWSSXBGSG-UHFFFAOYSA-N	-1	0	309.756	0.350	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1ccc(F)c(C#N)c1F	ZINC001260592023	947122063	/nfs/dbraw/zinc/12/20/63/947122063.db2.gz	YPZLOSGNZFLXPV-UHFFFAOYSA-N	-1	0	310.303	0.580	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1c(F)cc(F)cc1C#N	ZINC001260592244	947122500	/nfs/dbraw/zinc/12/25/00/947122500.db2.gz	CRTHEPSTEBSUGO-UHFFFAOYSA-N	-1	0	310.303	0.580	20	30		DCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC001260667745	947135581	/nfs/dbraw/zinc/13/55/81/947135581.db2.gz	IGZBYCGGFOVZGP-UHFFFAOYSA-N	-1	0	320.286	0.678	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C)c2ccccc21	ZINC001324193890	947347293	/nfs/dbraw/zinc/34/72/93/947347293.db2.gz	XSZIHCQPMILFCG-GFCCVEGCSA-N	-1	0	320.370	0.606	20	30		DCEDRM
C#CCCN1CCN(C(=O)c2ccc(C(=O)[O-])c(C)n2)CC1	ZINC001262180988	947595169	/nfs/dbraw/zinc/59/51/69/947595169.db2.gz	XOOMUHDJCKILAU-UHFFFAOYSA-N	-1	0	301.346	0.869	20	30		DCEDRM
C=CCn1c2ncn(CC(=O)C(=O)[O-])c(=O)c2sc1=S	ZINC001602730005	971405009	/nfs/dbraw/zinc/40/50/09/971405009.db2.gz	PHXQZEASSDLZFT-UHFFFAOYSA-N	-1	0	311.344	0.829	20	30		DCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1	ZINC001325012356	947610367	/nfs/dbraw/zinc/61/03/67/947610367.db2.gz	WZAHLMQMQPUOSB-SNVBAGLBSA-N	-1	0	312.351	0.343	20	30		DCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1	ZINC001325012354	947610551	/nfs/dbraw/zinc/61/05/51/947610551.db2.gz	WZAHLMQMQPUOSB-JTQLQIEISA-N	-1	0	312.351	0.343	20	30		DCEDRM
C=CCn1c([C@H]2CCC(=O)NC2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602730238	971408112	/nfs/dbraw/zinc/40/81/12/971408112.db2.gz	XULFUPMECWFBPJ-WDEREUQCSA-N	-1	0	319.365	0.369	20	30		DCEDRM
CC(C)CO[N-]C(=O)C(=O)NCCNc1ncccc1C#N	ZINC001325559008	947838430	/nfs/dbraw/zinc/83/84/30/947838430.db2.gz	OEMKQDSCMAGGTR-UHFFFAOYSA-N	-1	0	305.338	0.185	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001327806434	948631903	/nfs/dbraw/zinc/63/19/03/948631903.db2.gz	TYLHEHYUSWYWKB-VIFPVBQESA-N	-1	0	321.337	0.259	20	30		DCEDRM
C[C@@H](Cc1ccc(O)cc1)N(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364545868	949534820	/nfs/dbraw/zinc/53/48/20/949534820.db2.gz	XBNPKCYKUHNLPR-JTQLQIEISA-N	-1	0	314.345	0.718	20	30		DCEDRM
O=C([O-])c1ccccc1OCCn1ccc(C=NO)nc1=O	ZINC001595260350	949654301	/nfs/dbraw/zinc/65/43/01/949654301.db2.gz	OTBYAANTLLZMTN-UHFFFAOYSA-N	-1	0	303.274	0.829	20	30		DCEDRM
CC1(C)C[C@@H]1CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365105856	950530296	/nfs/dbraw/zinc/53/02/96/950530296.db2.gz	OIEGIBBMSYORNJ-SNVBAGLBSA-N	-1	0	305.338	0.166	20	30		DCEDRM
C=CCC(C)(C)C(=O)N(C)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC001279294258	950534391	/nfs/dbraw/zinc/53/43/91/950534391.db2.gz	ACJWSLHRZHNHMF-UHFFFAOYSA-N	-1	0	321.425	0.790	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCC(=O)NC2CCCCC2)c(C#N)c1=O	ZINC001365217760	950756854	/nfs/dbraw/zinc/75/68/54/950756854.db2.gz	XKICICSYMYMRHT-UHFFFAOYSA-N	-1	0	319.365	0.196	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)C1	ZINC001365281377	950871112	/nfs/dbraw/zinc/87/11/12/950871112.db2.gz	HEELZNYJLHKMBB-YGRLFVJLSA-N	-1	0	320.328	0.408	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)NCCC(F)F)C2)c(=O)[n-]c1=O	ZINC001365284660	950880693	/nfs/dbraw/zinc/88/06/93/950880693.db2.gz	JRUAYFWWEDEDAU-UHFFFAOYSA-N	-1	0	313.264	0.042	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2	ZINC001331482344	951138659	/nfs/dbraw/zinc/13/86/59/951138659.db2.gz	RWVGIYJPCSDUPK-UHFFFAOYSA-N	-1	0	311.384	0.793	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NC(C2CC2)C2CC2)c(=O)[n-]c1=O	ZINC001365545362	951248953	/nfs/dbraw/zinc/24/89/53/951248953.db2.gz	FKCOKQYEEXLPAM-UHFFFAOYSA-N	-1	0	317.349	0.308	20	30		DCEDRM
CC[C@H](C)CCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365653110	951388716	/nfs/dbraw/zinc/38/87/16/951388716.db2.gz	VNBDARMEQFOSGC-JTQLQIEISA-N	-1	0	307.354	0.556	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC000397037010	951504181	/nfs/dbraw/zinc/50/41/81/951504181.db2.gz	OJXYKBHNLQVSKB-CHWSQXEVSA-N	-1	0	309.366	0.172	20	30		DCEDRM
CC#CCn1nnnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC001334441676	952314934	/nfs/dbraw/zinc/31/49/34/952314934.db2.gz	JCAVWPJXIZFFNR-NSHDSACASA-N	-1	0	316.287	0.344	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc(F)cc2F)c(=O)[n-]c1=O	ZINC001411609491	952320997	/nfs/dbraw/zinc/32/09/97/952320997.db2.gz	GYQCKQVBUPDOEV-UHFFFAOYSA-N	-1	0	306.228	0.737	20	30		DCEDRM
CCO[C@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001411688746	952385954	/nfs/dbraw/zinc/38/59/54/952385954.db2.gz	RURSCCNHMHMYHO-LBPRGKRZSA-N	-1	0	320.349	0.238	20	30		DCEDRM
COC1CCC(N(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001411796777	952456916	/nfs/dbraw/zinc/45/69/16/952456916.db2.gz	WKFHNJFGKIWLQO-UHFFFAOYSA-N	-1	0	320.349	0.237	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCNC(=O)[C@@H]1CC(C)C	ZINC001412031919	952609430	/nfs/dbraw/zinc/60/94/30/952609430.db2.gz	GKOCRISKOHDWDD-LBPRGKRZSA-N	-1	0	316.361	0.954	20	30		DCEDRM
C[C@@H]1CCC[C@@H](C)N1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412113985	952649624	/nfs/dbraw/zinc/64/96/24/952649624.db2.gz	YIEFEPYVIAGYBT-NXEZZACHSA-N	-1	0	305.338	0.115	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cccnc2N2CCOCC2)[n-]c1C#N	ZINC001412289586	952733989	/nfs/dbraw/zinc/73/39/89/952733989.db2.gz	FZPOFJSWXVDIDQ-UHFFFAOYSA-N	-1	0	323.316	0.637	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cncc(Cl)c2)c(=O)[n-]c1=O	ZINC001412374177	952768095	/nfs/dbraw/zinc/76/80/95/952768095.db2.gz	OLOOQQDOHFLXRM-UHFFFAOYSA-N	-1	0	319.708	0.299	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnn1[C@@H]1CCCOC1	ZINC001336832489	952773262	/nfs/dbraw/zinc/77/32/62/952773262.db2.gz	CTVSPXGOMVDULK-WDEREUQCSA-N	-1	0	308.338	0.795	20	30		DCEDRM
N#CCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)c1ccc(F)cc1	ZINC001412529646	952871488	/nfs/dbraw/zinc/87/14/88/952871488.db2.gz	GOWPQQPKOZTKFS-UHFFFAOYSA-N	-1	0	305.269	0.775	20	30		DCEDRM
CC[C@@H]1COCCN1CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412562930	952900820	/nfs/dbraw/zinc/90/08/20/952900820.db2.gz	VEMFCCXZKMSVJY-CYBMUJFWSA-N	-1	0	318.377	0.808	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc([C@H]2CCC(=O)N2)cc1	ZINC001338060153	952956849	/nfs/dbraw/zinc/95/68/49/952956849.db2.gz	VOTOLUPXGVDGPN-CYBMUJFWSA-N	-1	0	320.370	0.721	20	30		DCEDRM
Cc1cnc([C@H](C)NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001412647182	952965110	/nfs/dbraw/zinc/96/51/10/952965110.db2.gz	UYOHXRIJDIXNNW-QMMMGPOBSA-N	-1	0	319.346	0.463	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN2C(=O)CC[C@H]2C1	ZINC001412677083	952984408	/nfs/dbraw/zinc/98/44/08/952984408.db2.gz	OJXBQTYMWFSNKW-NSHDSACASA-N	-1	0	300.318	0.414	20	30		DCEDRM
CC[C@H](CO)N1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001412729476	953027266	/nfs/dbraw/zinc/02/72/66/953027266.db2.gz	PEDLTXGNNHDNOX-CYBMUJFWSA-N	-1	0	318.377	0.496	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC(C)(C)OC[C@@H]1C	ZINC001338947002	953064080	/nfs/dbraw/zinc/06/40/80/953064080.db2.gz	ZHOAKZIAOAPLEM-JTQLQIEISA-N	-1	0	318.381	0.692	20	30		DCEDRM
CC[C@](NC(=O)c1[n-]c(=O)c(C#N)cc1C)(C(N)=O)C(C)C	ZINC001412803011	953101855	/nfs/dbraw/zinc/10/18/55/953101855.db2.gz	HNDPIIBNWRPQLW-OAHLLOKOSA-N	-1	0	304.350	0.987	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@H]1CC[C@H]1OC	ZINC001339710729	953114702	/nfs/dbraw/zinc/11/47/02/953114702.db2.gz	SFXQFZJPCZVLGN-WDEREUQCSA-N	-1	0	304.354	0.302	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@@H](CO)[C@H]1C	ZINC001340432491	953168913	/nfs/dbraw/zinc/16/89/13/953168913.db2.gz	ZBBFNXXUQWHACJ-MNOVXSKESA-N	-1	0	318.381	0.285	20	30		DCEDRM
C=CC(C)(C)CCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001341326743	953223874	/nfs/dbraw/zinc/22/38/74/953223874.db2.gz	OTPVNPVVAATXQV-UHFFFAOYSA-N	-1	0	311.382	0.917	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(Cc2ccccn2)nn1	ZINC001341899490	953257584	/nfs/dbraw/zinc/25/75/84/953257584.db2.gz	SKDHEIICCKSWFN-LBPRGKRZSA-N	-1	0	310.317	0.346	20	30		DCEDRM
C=CCCCN(CC)c1nnc(-c2cc(=O)[nH][n-]2)n1CCOC	ZINC001342788584	953308615	/nfs/dbraw/zinc/30/86/15/953308615.db2.gz	QMXNQAVSMMDXRK-UHFFFAOYSA-N	-1	0	320.397	0.941	20	30		DCEDRM
C=CC[C@@H](NC(=O)C(=O)NCCCc1ccccc1)C(=O)[O-]	ZINC001344557117	953495054	/nfs/dbraw/zinc/49/50/54/953495054.db2.gz	RFKWJIZTLFFFES-CYBMUJFWSA-N	-1	0	304.346	0.881	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1cccc(N2CCNC2=O)c1)C(=O)[O-]	ZINC001344551785	953496218	/nfs/dbraw/zinc/49/62/18/953496218.db2.gz	GBZGUSRYTWGWPI-GFCCVEGCSA-N	-1	0	303.318	0.975	20	30		DCEDRM
C=CC[C@H](NC(=O)CCc1nc(-c2ncccn2)no1)C(=O)[O-]	ZINC001344557925	953497152	/nfs/dbraw/zinc/49/71/52/953497152.db2.gz	XJDWJCXUEKIELQ-VIFPVBQESA-N	-1	0	317.305	0.605	20	30		DCEDRM
CCc1ccc(C#CC(=O)NCCOCCOCC(=O)[O-])cc1	ZINC001593634101	953599561	/nfs/dbraw/zinc/59/95/61/953599561.db2.gz	ZEBXFDYTWDFMSR-UHFFFAOYSA-N	-1	0	319.357	0.835	20	30		DCEDRM
C=CCCC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1	ZINC001345772158	953726803	/nfs/dbraw/zinc/72/68/03/953726803.db2.gz	HZZOTUHRMYCISH-MNOVXSKESA-N	-1	0	322.365	0.082	20	30		DCEDRM
C=CCCC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1	ZINC001345772156	953726883	/nfs/dbraw/zinc/72/68/83/953726883.db2.gz	HZZOTUHRMYCISH-GHMZBOCLSA-N	-1	0	322.365	0.082	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2CCOC[C@H]2C(=O)[O-])c1	ZINC001593709508	954179966	/nfs/dbraw/zinc/17/99/66/954179966.db2.gz	YTJVZKNBKOAWIR-ZDUSSCGKSA-N	-1	0	303.318	0.550	20	30		DCEDRM
C[C@H]1CN(C(=O)C2(CC(=O)[O-])CCOCC2)C[C@H](C)N1CC#N	ZINC001589376795	954264749	/nfs/dbraw/zinc/26/47/49/954264749.db2.gz	XIDJWOOAESJHSK-STQMWFEESA-N	-1	0	323.393	0.703	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@H](CCC(=O)[O-])CN1CCOCC1	ZINC001349510913	954780094	/nfs/dbraw/zinc/78/00/94/954780094.db2.gz	SLVGHSPPENPJRY-GFCCVEGCSA-N	-1	0	320.411	0.048	20	30		DCEDRM
CC(C)C#CC(=O)N[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001284049019	954813978	/nfs/dbraw/zinc/81/39/78/954813978.db2.gz	AZEKTYRDVBDVIM-WBMJQRKESA-N	-1	0	317.393	0.783	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	ZINC001593813459	954971355	/nfs/dbraw/zinc/97/13/55/954971355.db2.gz	QYKCFXGOQBLYMX-MGCOHNPYSA-N	-1	0	309.322	0.338	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(c1cncc(C#N)n1)C[C@@H]2C(=O)[O-]	ZINC001593825156	955096475	/nfs/dbraw/zinc/09/64/75/955096475.db2.gz	FLZOMEBGGBUOIK-QMJNDHNRSA-N	-1	0	316.317	0.438	20	30		DCEDRM
O=C([O-])[C@@H]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000738717072	955251468	/nfs/dbraw/zinc/25/14/68/955251468.db2.gz	JRZIDMXCPYDHFQ-WBNXYMAISA-N	-1	0	321.333	0.226	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C[C@H](C)O)C1CC1	ZINC001351852590	955431071	/nfs/dbraw/zinc/43/10/71/955431071.db2.gz	VGDHBTASPVKDFU-VIFPVBQESA-N	-1	0	304.354	0.038	20	30		DCEDRM
Cn1cc(N2CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C2)cn1	ZINC001594545759	955682669	/nfs/dbraw/zinc/68/26/69/955682669.db2.gz	HPJZAVHXDLCIQP-IINYFYTJSA-N	-1	0	305.338	0.120	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1	ZINC001593906445	955921177	/nfs/dbraw/zinc/92/11/77/955921177.db2.gz	XFVJUTWVDZMKPT-KGLIPLIRSA-N	-1	0	317.345	0.495	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)[C@H](C)CNC(=O)c1cnc[nH]c1=O	ZINC001285723717	955936933	/nfs/dbraw/zinc/93/69/33/955936933.db2.gz	NUBOUIXUHMVWQH-BMIGLBTASA-N	-1	0	322.365	0.086	20	30		DCEDRM
N#C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C1CCCCC1	ZINC001594602050	956141338	/nfs/dbraw/zinc/14/13/38/956141338.db2.gz	TXHXONIFUNSUFG-CHWSQXEVSA-N	-1	0	321.377	0.898	20	30		DCEDRM
N#CC1(CC(=O)NC2(CC(=O)[O-])CCOCC2)CCOCC1	ZINC001594603835	956157350	/nfs/dbraw/zinc/15/73/50/956157350.db2.gz	JMRQLFJLAYKKGO-UHFFFAOYSA-N	-1	0	310.350	0.837	20	30		DCEDRM
N#CC1CCC(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1	ZINC001594605716	956170816	/nfs/dbraw/zinc/17/08/16/956170816.db2.gz	JFHIKCPGYKERPV-WXRRBKDZSA-N	-1	0	321.377	0.756	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)NCCOCCOCC(=O)[O-])C1	ZINC001594606196	956178753	/nfs/dbraw/zinc/17/87/53/956178753.db2.gz	QGVGQEZVJZLBRL-GFCCVEGCSA-N	-1	0	313.354	0.439	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)c2ccc(C(=O)[O-])nc2)C1	ZINC001594609542	956193164	/nfs/dbraw/zinc/19/31/64/956193164.db2.gz	DGLQNXOLSINSCU-LLVKDONJSA-N	-1	0	302.334	0.745	20	30		DCEDRM
N#CCOc1cccc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)c1	ZINC001594610849	956206250	/nfs/dbraw/zinc/20/62/50/956206250.db2.gz	AQIPAZXHROXCIW-CQSZACIVSA-N	-1	0	305.290	0.954	20	30		DCEDRM
CC/C(C)=C(/C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001353949332	956234309	/nfs/dbraw/zinc/23/43/09/956234309.db2.gz	AVYGSBXPQDDDSZ-KTKRTIGZSA-N	-1	0	302.334	0.950	20	30		DCEDRM
N#Cc1ccc(CC(=O)NCC2(C(=O)[O-])CCOCC2)cn1	ZINC001594618249	956262073	/nfs/dbraw/zinc/26/20/73/956262073.db2.gz	JYDHXQCVVBNMNF-UHFFFAOYSA-N	-1	0	303.318	0.493	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC001594620057	956273160	/nfs/dbraw/zinc/27/31/60/956273160.db2.gz	ZMCKLTMJMXRMSK-JTQLQIEISA-N	-1	0	319.292	0.247	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1	ZINC001594624224	956302389	/nfs/dbraw/zinc/30/23/89/956302389.db2.gz	UBWNEBFMTTWKCD-LRDDRELGSA-N	-1	0	316.313	0.497	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(Cc2ccccc2Cl)c1=O	ZINC001594632966	956355755	/nfs/dbraw/zinc/35/57/55/956355755.db2.gz	IYRGOFVYLCQLJP-UHFFFAOYSA-N	-1	0	319.704	0.668	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)NC(=O)c1cn[nH]n1	ZINC001354578277	956437068	/nfs/dbraw/zinc/43/70/68/956437068.db2.gz	SZQWOVFRLCTVET-YGRLFVJLSA-N	-1	0	309.370	0.268	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)Nc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001603144634	972240223	/nfs/dbraw/zinc/24/02/23/972240223.db2.gz	DIFPVYIERVEKQL-SNVBAGLBSA-N	-1	0	319.317	0.707	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@H](C#N)C3CC3)cc2=O)n1	ZINC001293115287	957273839	/nfs/dbraw/zinc/27/38/39/957273839.db2.gz	ATQJNGYJMFXSAP-GFCCVEGCSA-N	-1	0	312.333	0.604	20	30		DCEDRM
C#CCN(CC1CC1)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001327480832	957341920	/nfs/dbraw/zinc/34/19/20/957341920.db2.gz	UFPHTESECOQXAV-UHFFFAOYSA-N	-1	0	301.302	0.590	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)cc1	ZINC000043511538	957434449	/nfs/dbraw/zinc/43/44/49/957434449.db2.gz	CXARCYVZJLJTNN-GFCCVEGCSA-N	-1	0	312.372	0.797	20	30		DCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)N1CCCC[C@@H]1C	ZINC001413882008	957507812	/nfs/dbraw/zinc/50/78/12/957507812.db2.gz	UEVIPIHJQFRGKQ-UWVGGRQHSA-N	-1	0	319.365	0.147	20	30		DCEDRM
CN(c1cccc(C#N)c1)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000061979949	957597544	/nfs/dbraw/zinc/59/75/44/957597544.db2.gz	HHJMKXGJKSITRH-UHFFFAOYSA-N	-1	0	306.303	0.805	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)Nc2cc(Cl)ccc2F)c1=O	ZINC001413932193	957804310	/nfs/dbraw/zinc/80/43/10/957804310.db2.gz	RZOPFPABTILNNV-UHFFFAOYSA-N	-1	0	322.683	0.839	20	30		DCEDRM
COC(=O)c1ccc(Cn2c(=O)[n-]cc(C#N)c2=O)cc1F	ZINC001413934107	957819836	/nfs/dbraw/zinc/81/98/36/957819836.db2.gz	WKYDXMLAHKNNDD-UHFFFAOYSA-N	-1	0	303.249	0.382	20	30		DCEDRM
C#C[C@@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCOCC1	ZINC001588372166	957965283	/nfs/dbraw/zinc/96/52/83/957965283.db2.gz	FBDBEDIKBXXQIE-CYBMUJFWSA-N	-1	0	324.377	0.595	20	30		DCEDRM
C#C[C@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C(C)C	ZINC001588387904	957990473	/nfs/dbraw/zinc/99/04/73/957990473.db2.gz	MWNIHMCXGZPGQN-JTQLQIEISA-N	-1	0	301.364	0.040	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588391575	958025050	/nfs/dbraw/zinc/02/50/50/958025050.db2.gz	JMNYXWKKZINSMU-JTQLQIEISA-N	-1	0	322.292	0.353	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1c2c(ccc1F)OCO2	ZINC001588394485	958034609	/nfs/dbraw/zinc/03/46/09/958034609.db2.gz	FKTLKKVNRHKPNE-UHFFFAOYSA-N	-1	0	322.248	0.039	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])n(CCC#N)n1	ZINC001594313615	958050896	/nfs/dbraw/zinc/05/08/96/958050896.db2.gz	OWFHAJNEXWDOOC-SNVBAGLBSA-N	-1	0	319.321	0.119	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H]1C(=O)Nc2ccc(F)cc21	ZINC001588402421	958091893	/nfs/dbraw/zinc/09/18/93/958091893.db2.gz	SUDJFTISCDHWCI-NSHDSACASA-N	-1	0	304.277	0.798	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1c(C(F)(F)F)cnn1C	ZINC001588408924	958119802	/nfs/dbraw/zinc/11/98/02/958119802.db2.gz	MQRQIYRXWBQFLN-UHFFFAOYSA-N	-1	0	318.255	0.668	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cccc(-n2cncn2)c1	ZINC001588408942	958120619	/nfs/dbraw/zinc/12/06/19/958120619.db2.gz	NMYZHFMCJQJBNS-UHFFFAOYSA-N	-1	0	313.317	0.497	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(C(=O)OCC)n(C)c1	ZINC001588411238	958147874	/nfs/dbraw/zinc/14/78/74/958147874.db2.gz	SKUCEJQSGMAIIM-UHFFFAOYSA-N	-1	0	307.306	0.754	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC001588419875	958196109	/nfs/dbraw/zinc/19/61/09/958196109.db2.gz	FWALIKZTNIHOJJ-SNVBAGLBSA-N	-1	0	305.290	0.942	20	30		DCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(S(=O)(=O)NC2CC2)cc1	ZINC001588424407	958216474	/nfs/dbraw/zinc/21/64/74/958216474.db2.gz	QUWGABJHFYPKBK-UHFFFAOYSA-N	-1	0	322.386	0.647	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CN2CCCC2)n1CC1CC1	ZINC001588427114	958239919	/nfs/dbraw/zinc/23/99/19/958239919.db2.gz	MRTCELVUSARDGN-UHFFFAOYSA-N	-1	0	317.393	0.808	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(C)(F)F)n1CCOC	ZINC001588427124	958240143	/nfs/dbraw/zinc/24/01/43/958240143.db2.gz	MZBWAGFWCLKUGE-UHFFFAOYSA-N	-1	0	302.281	0.560	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2(CO)CCC2)n1CC(=C)C	ZINC001588427481	958248291	/nfs/dbraw/zinc/24/82/91/958248291.db2.gz	ZHCHQGUTNXCEMA-UHFFFAOYSA-N	-1	0	318.377	0.792	20	30		DCEDRM
C#CCN(CCOCCNC(=O)OC(C)(C)C)CC(=O)[O-]	ZINC001588432403	958283794	/nfs/dbraw/zinc/28/37/94/958283794.db2.gz	QLOMLCKKPRRBGT-UHFFFAOYSA-N	-1	0	300.355	0.548	20	30		DCEDRM
C=C(C)Cn1c(CCO)nnc1N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588442357	958344503	/nfs/dbraw/zinc/34/45/03/958344503.db2.gz	HMXPIZXXZYUZIW-HNNXBMFYSA-N	-1	0	324.381	0.317	20	30		DCEDRM
C=C(C)C[C@H](CO)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001588443006	958348761	/nfs/dbraw/zinc/34/87/61/958348761.db2.gz	XEHNQWJIYXYEMU-LLVKDONJSA-N	-1	0	300.355	0.494	20	30		DCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC001588446037	958379396	/nfs/dbraw/zinc/37/93/96/958379396.db2.gz	ZBNBBODWMNNHID-TUAOUCFPSA-N	-1	0	300.380	0.963	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001588459760	958469535	/nfs/dbraw/zinc/46/95/35/958469535.db2.gz	CFTQTDYGPGGMOU-GFCCVEGCSA-N	-1	0	307.368	0.084	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ncccc1C(=O)[O-]	ZINC001588465459	958503531	/nfs/dbraw/zinc/50/35/31/958503531.db2.gz	KXBMGRSOPRSIGY-QMMMGPOBSA-N	-1	0	321.289	0.337	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001588465610	958507278	/nfs/dbraw/zinc/50/72/78/958507278.db2.gz	VSPPWQMOPARCDF-CLAHSXSESA-N	-1	0	312.322	0.431	20	30		DCEDRM
C=CCOCC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001588466472	958513194	/nfs/dbraw/zinc/51/31/94/958513194.db2.gz	SHPIGJMJSAIOEW-ZJUUUORDSA-N	-1	0	324.299	0.785	20	30		DCEDRM
C=CCn1c([C@H](O)COC)nnc1N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC001588473368	958552319	/nfs/dbraw/zinc/55/23/19/958552319.db2.gz	YKFUMRQLPJQXTB-QJPTWQEYSA-N	-1	0	324.381	0.691	20	30		DCEDRM
CC(C)(C#N)CCCN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC000126310033	958585349	/nfs/dbraw/zinc/58/53/49/958585349.db2.gz	JCBUOVWPUUOOPO-NSHDSACASA-N	-1	0	302.396	0.890	20	30		DCEDRM
COC(=O)Cn1ccc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)n1	ZINC001362031859	958631002	/nfs/dbraw/zinc/63/10/02/958631002.db2.gz	PUVQERUAQHOMRC-UHFFFAOYSA-N	-1	0	315.289	0.589	20	30		DCEDRM
CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362046938	958650563	/nfs/dbraw/zinc/65/05/63/958650563.db2.gz	ZBLRTFCOLQOMOP-PWSUYJOCSA-N	-1	0	304.350	0.906	20	30		DCEDRM
CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]2C1	ZINC001588492830	958657391	/nfs/dbraw/zinc/65/73/91/958657391.db2.gz	PZFTUMJUKZDQSG-QCQGSNGOSA-N	-1	0	321.377	0.754	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cnc(N(C)C)n1C	ZINC001362134372	958798664	/nfs/dbraw/zinc/79/86/64/958798664.db2.gz	JGSVIZGEKHKWKV-UHFFFAOYSA-N	-1	0	314.349	0.697	20	30		DCEDRM
N#CCC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1	ZINC001362268795	959037647	/nfs/dbraw/zinc/03/76/47/959037647.db2.gz	GYAPTHVLBVKQSY-LLVKDONJSA-N	-1	0	301.306	0.851	20	30		DCEDRM
C[C@H](CC(F)(F)F)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362332502	959160647	/nfs/dbraw/zinc/16/06/47/959160647.db2.gz	VERAOVSUXWTMDA-SSDOTTSWSA-N	-1	0	318.255	0.668	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[S@](=O)C[C@H](C)C1	ZINC001362349910	959191214	/nfs/dbraw/zinc/19/12/14/959191214.db2.gz	BXVCPPQENUDFMM-BTKVJGODSA-N	-1	0	307.375	0.808	20	30		DCEDRM
CCCc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n(C)n1	ZINC001362350899	959192332	/nfs/dbraw/zinc/19/23/32/959192332.db2.gz	DTVLALLLGNSAGV-UHFFFAOYSA-N	-1	0	316.321	0.145	20	30		DCEDRM
C[C@@H](CN(C)C(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001573587391	959373584	/nfs/dbraw/zinc/37/35/84/959373584.db2.gz	VODAQFGPYTVJLM-XRNDOFNESA-N	-1	0	309.322	0.082	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc1C#N	ZINC001362471922	959419374	/nfs/dbraw/zinc/41/93/74/959419374.db2.gz	ZWERPRSCIWANLO-KWQFWETISA-N	-1	0	323.374	0.196	20	30		DCEDRM
CC(C)(C(=O)Nn1c(=O)[n-][nH]c1=O)c1cc(F)cc(C#N)c1	ZINC001362499275	959475167	/nfs/dbraw/zinc/47/51/67/959475167.db2.gz	BQDURPCSZBWHGV-UHFFFAOYSA-N	-1	0	305.269	0.748	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2Cc3ccncc3C2)c(=O)[n-]c1=O	ZINC001362527702	959527780	/nfs/dbraw/zinc/52/77/80/959527780.db2.gz	PINBYOIMAGAHEQ-UHFFFAOYSA-N	-1	0	311.301	0.148	20	30		DCEDRM
N#Cc1cccc(C(=O)NCc2nc(=O)o[n-]2)c1Br	ZINC001362527480	959528647	/nfs/dbraw/zinc/52/86/47/959528647.db2.gz	XHMSCSMVTNMYMO-UHFFFAOYSA-N	-1	0	323.106	0.927	20	30		DCEDRM
CC(C)(C(=O)[O-])n1ccc(NC(=O)N2CCO[C@H](C#N)C2)n1	ZINC001588623573	959556939	/nfs/dbraw/zinc/55/69/39/959556939.db2.gz	NOMVNDRXZCQHDI-SECBINFHSA-N	-1	0	307.310	0.459	20	30		DCEDRM
C#CCOCCC(=O)N(C)CCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001492327755	959836055	/nfs/dbraw/zinc/83/60/55/959836055.db2.gz	NYNFSVSGPJRQAZ-UHFFFAOYSA-N	-1	0	322.365	0.042	20	30		DCEDRM
C[C@H]1CCC[C@@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362691519	959839188	/nfs/dbraw/zinc/83/91/88/959839188.db2.gz	YDIQISDTQOSCSZ-WDEREUQCSA-N	-1	0	304.350	0.763	20	30		DCEDRM
Cc1c(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cnn1CCC#N	ZINC001362707498	959866833	/nfs/dbraw/zinc/86/68/33/959866833.db2.gz	HEIDFYCXMWRQQM-NSHDSACASA-N	-1	0	314.353	0.638	20	30		DCEDRM
C[C@@H](OC(=O)[C@@]1(C(=O)[O-])CC1(C)C)C(=O)NC1(C#N)CCC1	ZINC001603268430	972466872	/nfs/dbraw/zinc/46/68/72/972466872.db2.gz	JGZDCRZOAMSLQQ-PSLIRLAXSA-N	-1	0	308.334	0.981	20	30		DCEDRM
C=CCn1cc(C(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)nn1	ZINC001304048381	960075472	/nfs/dbraw/zinc/07/54/72/960075472.db2.gz	BKCFLKGYXILABR-UHFFFAOYSA-N	-1	0	318.337	0.288	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)C1(COC)CCC1)C(=O)OC	ZINC001309442322	960199601	/nfs/dbraw/zinc/19/96/01/960199601.db2.gz	CXPNUXYZNHEFRC-NSHDSACASA-N	-1	0	321.395	0.219	20	30		DCEDRM
N#C[C@@H](CCc1ccccc1)C(=O)NCCc1nc(=O)o[n-]1	ZINC001363093761	960394292	/nfs/dbraw/zinc/39/42/92/960394292.db2.gz	UPDIMRVXJIBCQE-GFCCVEGCSA-N	-1	0	300.318	0.794	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CCCn2cccc2)c(=O)[n-]c1=O	ZINC001363125690	960434742	/nfs/dbraw/zinc/43/47/42/960434742.db2.gz	BAYQIBLXYDCNFU-UHFFFAOYSA-N	-1	0	315.333	0.219	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)c1cncn1C	ZINC001363145731	960476221	/nfs/dbraw/zinc/47/62/21/960476221.db2.gz	VIDAZADXEBILHA-SNVBAGLBSA-N	-1	0	301.306	0.164	20	30		DCEDRM
N#Cc1ccc(C2CCN(C(=O)CCc3nnn[n-]3)CC2)nc1	ZINC001363286587	960790725	/nfs/dbraw/zinc/79/07/25/960790725.db2.gz	PZJJKADPFCZTEU-UHFFFAOYSA-N	-1	0	311.349	0.805	20	30		DCEDRM
N#CCCN1CCN(C(=O)Nc2ccc(C(=O)[O-])nn2)CC1	ZINC001571085098	961044003	/nfs/dbraw/zinc/04/40/03/961044003.db2.gz	LIQSXZWEXXSWPU-UHFFFAOYSA-N	-1	0	304.310	0.238	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC001571086060	961062679	/nfs/dbraw/zinc/06/26/79/961062679.db2.gz	VQXJPHFWEBGZCH-GXTWGEPZSA-N	-1	0	304.302	0.490	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2C[C@H]2C2CCC2)c(=O)[n-]c1=O	ZINC001363421729	961120711	/nfs/dbraw/zinc/12/07/11/961120711.db2.gz	DYTUPXYAMJPYCV-NWDGAFQWSA-N	-1	0	302.334	0.515	20	30		DCEDRM
Cc1ccc(F)cc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363484645	961253509	/nfs/dbraw/zinc/25/35/09/961253509.db2.gz	SBKMIIHOXSIVQL-UHFFFAOYSA-N	-1	0	316.292	0.698	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC[C@@H](CC#N)C1)C(=O)[O-]	ZINC001571106300	961276619	/nfs/dbraw/zinc/27/66/19/961276619.db2.gz	MPOZOGSZHDUYBB-DCAQKATOSA-N	-1	0	310.354	0.299	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1Cc2cnccc2NC1=O	ZINC001363550355	961418054	/nfs/dbraw/zinc/41/80/54/961418054.db2.gz	RRSLDIPCCGAFDS-GFCCVEGCSA-N	-1	0	323.312	0.656	20	30		DCEDRM
N#Cc1c(NC(=O)[C@H](C(=O)[O-])C2CC2)[nH]nc1N1CCOCC1	ZINC001574479629	961652942	/nfs/dbraw/zinc/65/29/42/961652942.db2.gz	MUKUGTQDPQVDEL-SNVBAGLBSA-N	-1	0	319.321	0.167	20	30		DCEDRM
CC1(C)CC(=O)NCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001363813636	961945205	/nfs/dbraw/zinc/94/52/05/961945205.db2.gz	MYYKKZZJFHNFOP-UHFFFAOYSA-N	-1	0	314.349	0.407	20	30		DCEDRM
C#C[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[C@H]1CCCO1	ZINC001336084858	961948163	/nfs/dbraw/zinc/94/81/63/961948163.db2.gz	WYWRBSWRBURRNK-REWJHTLYSA-N	-1	0	306.362	0.919	20	30		DCEDRM
CC(C)c1nnc(Sc2[n-]c(=O)n(C)c(=O)c2C#N)n1C	ZINC001364150446	962564853	/nfs/dbraw/zinc/56/48/53/962564853.db2.gz	NIYXWFRBVMALEC-UHFFFAOYSA-N	-1	0	306.351	0.348	20	30		DCEDRM
CN(C(=O)CCCC(=O)Nc1ccccc1C#N)c1nnn[n-]1	ZINC001364189346	962639386	/nfs/dbraw/zinc/63/93/86/962639386.db2.gz	BWSGAQHAIRKDGO-UHFFFAOYSA-N	-1	0	313.321	0.843	20	30		DCEDRM
C#CCCCCC(=O)N1CCC[C@H]1CN(C)C(=O)CNC(=O)[O-]	ZINC001573303786	962681416	/nfs/dbraw/zinc/68/14/16/962681416.db2.gz	SQHXMEFWBQHLSB-ZDUSSCGKSA-N	-1	0	323.393	0.897	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H](O)c2c(F)cccc2F)c(C#N)c1=O	ZINC001364231262	962715588	/nfs/dbraw/zinc/71/55/88/962715588.db2.gz	SBBVPYPNPYLDTM-SNVBAGLBSA-N	-1	0	322.271	0.369	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])cn1	ZINC001573311976	962717622	/nfs/dbraw/zinc/71/76/22/962717622.db2.gz	LDGKKINSOQLFMV-LBPRGKRZSA-N	-1	0	301.327	0.945	20	30		DCEDRM
C=C(Br)CN(C)[C@H]1CCN(C(=O)CNC(=O)[O-])C1	ZINC001573313642	962734500	/nfs/dbraw/zinc/73/45/00/962734500.db2.gz	NPMHRMBJPIXFHC-VIFPVBQESA-N	-1	0	320.187	0.695	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1	ZINC001588992748	962803452	/nfs/dbraw/zinc/80/34/52/962803452.db2.gz	APGZHGDVTSWQGH-JQWIXIFHSA-N	-1	0	315.329	0.891	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CNC(=O)[O-])[C@@H]2C)C1	ZINC001573344265	962915241	/nfs/dbraw/zinc/91/52/41/962915241.db2.gz	QQPQPQQIBFMPJZ-MNOVXSKESA-N	-1	0	309.366	0.716	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C[C@H]1C	ZINC001573368923	963088218	/nfs/dbraw/zinc/08/82/18/963088218.db2.gz	LIOLNWPROITYQI-PWSUYJOCSA-N	-1	0	320.349	0.779	20	30		DCEDRM
C#CCCCC(=O)N1[C@@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-]	ZINC001588435568	964024033	/nfs/dbraw/zinc/02/40/33/964024033.db2.gz	UYRFWOLQVSRWTA-GHMZBOCLSA-N	-1	0	312.391	0.671	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001588435649	964024828	/nfs/dbraw/zinc/02/48/28/964024828.db2.gz	WOOKZPFEJGTCTO-GFCCVEGCSA-N	-1	0	306.274	0.797	20	30		DCEDRM
C#CCCCCNC(=O)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC001588441562	964052505	/nfs/dbraw/zinc/05/25/05/964052505.db2.gz	IMRSMXUKSFBONN-WBMJQRKESA-N	-1	0	306.362	0.762	20	30		DCEDRM
C#CCCN(CC(F)(F)F)S(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC001588447604	964088267	/nfs/dbraw/zinc/08/82/67/964088267.db2.gz	MIAKFKHJEDZGMV-MRVPVSSYSA-N	-1	0	301.286	0.925	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C)c1[O-]	ZINC001371115258	966729459	/nfs/dbraw/zinc/72/94/59/966729459.db2.gz	APSYPUZJZWIORS-WCBMZHEXSA-N	-1	0	321.381	0.844	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C)c1[O-]	ZINC001371115246	966730613	/nfs/dbraw/zinc/73/06/13/966730613.db2.gz	APSYPUZJZWIORS-SCZZXKLOSA-N	-1	0	321.381	0.844	20	30		DCEDRM
C[C@@H](C(=O)N1CCCC[C@@H]1CCC(=O)[O-])n1cnc(C#N)n1	ZINC001609696223	970455180	/nfs/dbraw/zinc/45/51/80/970455180.db2.gz	CWTZCODPDDAQBQ-WDEREUQCSA-N	-1	0	305.338	0.957	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(c2cccc(S(N)(=O)=O)c2C#N)C1	ZINC001603308212	972592187	/nfs/dbraw/zinc/59/21/87/972592187.db2.gz	BBKIMZOMKNPREK-CYBMUJFWSA-N	-1	0	309.347	0.507	20	30		DCEDRM
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCCn1cnc(C#N)n1	ZINC001603312535	972610184	/nfs/dbraw/zinc/61/01/84/972610184.db2.gz	OYXFTKHDWNSRJO-UHFFFAOYSA-N	-1	0	305.338	0.403	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)OCCc1cn(CC(=O)[O-])nn1	ZINC001605074690	972703048	/nfs/dbraw/zinc/70/30/48/972703048.db2.gz	YUXWDOJUGJVBEW-UHFFFAOYSA-N	-1	0	314.301	0.942	20	30		DCEDRM
C[C@H]1CN(C(=O)C2(C(=O)[O-])CCOCC2)C[C@H](C)N1CC#N	ZINC001603438696	973207673	/nfs/dbraw/zinc/20/76/73/973207673.db2.gz	DQZWXAVFDOEZSN-RYUDHWBXSA-N	-1	0	309.366	0.313	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)NC1(c2cccc(C#N)c2)CCOCC1	ZINC001604424534	973208630	/nfs/dbraw/zinc/20/86/30/973208630.db2.gz	QWOLRPBPSUGYIU-CYBMUJFWSA-N	-1	0	318.329	0.780	20	30		DCEDRM
C=C(Br)CNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC000401912862	973525881	/nfs/dbraw/zinc/52/58/81/973525881.db2.gz	UYDZPYRWQBEGST-JGVFFNPUSA-N	-1	0	307.144	0.372	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(c2cccc(C#N)c2[N+](=O)[O-])CCO1	ZINC001604563758	973619880	/nfs/dbraw/zinc/61/98/80/973619880.db2.gz	BZIJFIKOYOTZFR-CQSZACIVSA-N	-1	0	321.289	0.773	20	30		DCEDRM
COCCn1c([C@H]2C[C@@H]2C#N)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001604630156	973763469	/nfs/dbraw/zinc/76/34/69/973763469.db2.gz	YXKBDJMPLFGRDY-TUAOUCFPSA-N	-1	0	319.365	0.853	20	30		DCEDRM
Cn1ncc(I)c1C=NNCCC(=O)[O-]	ZINC001605559044	973785826	/nfs/dbraw/zinc/78/58/26/973785826.db2.gz	BBOSUKMBSVAQAG-UHFFFAOYSA-N	-1	0	322.106	0.423	20	30		DCEDRM
N#CC[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	ZINC001605581643	973860145	/nfs/dbraw/zinc/86/01/45/973860145.db2.gz	FXUKVFHKWSPFEH-MNOVXSKESA-N	-1	0	301.368	0.406	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)CC1	ZINC001605581817	973862652	/nfs/dbraw/zinc/86/26/52/973862652.db2.gz	MXDDDKJCNKIGRJ-UPHRSURJSA-N	-1	0	317.301	0.575	20	30		DCEDRM
N#CCN1CCC(OC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CC1	ZINC001605586345	973881147	/nfs/dbraw/zinc/88/11/47/973881147.db2.gz	UFOCYBLPBNFGRV-WCQYABFASA-N	-1	0	310.350	0.787	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N([C@H](C)C(=O)[O-])C1CC1	ZINC001603724195	974158979	/nfs/dbraw/zinc/15/89/79/974158979.db2.gz	OAUFOFPASDEILO-NXEZZACHSA-N	-1	0	303.384	0.650	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)(C)C	ZINC000702258394	977075234	/nfs/dbraw/zinc/07/52/34/977075234.db2.gz	YHWFLVOQTDPCLI-NSHDSACASA-N	-1	0	302.396	0.665	20	30		DCEDRM
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001592221577	977400898	/nfs/dbraw/zinc/40/08/98/977400898.db2.gz	KWLQMXGOVCWHMQ-SNVBAGLBSA-N	-1	0	319.317	0.849	20	30		DCEDRM
O=C([O-])c1ccc(S(=O)(=O)NCC#CCO)c(Cl)c1	ZINC000717497521	977902300	/nfs/dbraw/zinc/90/23/00/977902300.db2.gz	FPDZOEASQPLASM-UHFFFAOYSA-N	-1	0	303.723	0.312	20	30		DCEDRM
CCN(CCNC(=O)C#CC1CC1)C(=O)c1n[nH]c(C)c1[O-]	ZINC001528841789	1014438213	/nfs/dbraw/zinc/43/82/13/1014438213.db2.gz	ODIMNZNGHNXRFZ-UHFFFAOYSA-N	-1	0	304.350	0.415	20	30		DCEDRM
CCCC(=O)N1CCCC[C@@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001595523479	981348128	/nfs/dbraw/zinc/34/81/28/981348128.db2.gz	KIMUKKPCTYYKHT-GFCCVEGCSA-N	-1	0	309.366	0.994	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC001588369655	983316076	/nfs/dbraw/zinc/31/60/76/983316076.db2.gz	RWQCKDGFMVMTJZ-ZWNOBZJWSA-N	-1	0	316.313	0.393	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21	ZINC001588371004	983323724	/nfs/dbraw/zinc/32/37/24/983323724.db2.gz	TWEAHIBVOKEMLG-JTQLQIEISA-N	-1	0	319.338	0.810	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)C(C)(C)C	ZINC001588372335	983330073	/nfs/dbraw/zinc/33/00/73/983330073.db2.gz	IHTCBDDLESZSBA-ZYHUDNBSSA-N	-1	0	319.365	0.981	20	30		DCEDRM
C#CC1(O)CCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1	ZINC001588379579	983364765	/nfs/dbraw/zinc/36/47/65/983364765.db2.gz	MPWJJRGCUFNZPF-UHFFFAOYSA-N	-1	0	305.290	0.961	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588382281	983369847	/nfs/dbraw/zinc/36/98/47/983369847.db2.gz	LNQYDDDMRILHSE-JHJVBQTASA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001588383703	983383121	/nfs/dbraw/zinc/38/31/21/983383121.db2.gz	IBWFSCWUOVOXBU-SNVBAGLBSA-N	-1	0	320.276	0.323	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588389882	983389399	/nfs/dbraw/zinc/38/93/99/983389399.db2.gz	DUXVJMIIZMZOJQ-NSHDSACASA-N	-1	0	319.317	0.263	20	30		DCEDRM
C#CCC(C)(C)c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1CC	ZINC001588390134	983391596	/nfs/dbraw/zinc/39/15/96/983391596.db2.gz	MAFNNGYNKMYNIQ-LLVKDONJSA-N	-1	0	306.366	0.889	20	30		DCEDRM
C#CC[C@@H](COC)NS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001588393408	983397581	/nfs/dbraw/zinc/39/75/81/983397581.db2.gz	BIAQKFNITJZPCI-LBPRGKRZSA-N	-1	0	311.359	0.630	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC001588395831	983406792	/nfs/dbraw/zinc/40/67/92/983406792.db2.gz	UQQMLCGQJPTKCX-MRVPVSSYSA-N	-1	0	310.331	0.539	20	30		DCEDRM
C#CC[C@H](NC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C(=O)[O-]	ZINC001588414549	983434605	/nfs/dbraw/zinc/43/46/05/983434605.db2.gz	VPXXHPNVSCBAJY-NSHDSACASA-N	-1	0	303.318	0.457	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(OC2CC2)cc1)C(=O)[O-]	ZINC001588428504	983462167	/nfs/dbraw/zinc/46/21/67/983462167.db2.gz	QTKNNBPFUPBUGL-ZDUSSCGKSA-N	-1	0	309.343	0.983	20	30		DCEDRM
C#CCN(C(=O)C(=O)Nc1ccccc1CC(=O)[O-])C1CC1	ZINC001588459630	983485366	/nfs/dbraw/zinc/48/53/66/983485366.db2.gz	FGWGEGPDQHZSTJ-UHFFFAOYSA-N	-1	0	300.314	0.876	20	30		DCEDRM
C#CCN(C)c1nnnn1Cc1ccc(Cl)c(C(=O)[O-])n1	ZINC001588464025	983493299	/nfs/dbraw/zinc/49/32/99/983493299.db2.gz	TUPDOIBJBBLXGX-UHFFFAOYSA-N	-1	0	306.713	0.537	20	30		DCEDRM
C#CCNC(=O)C1CCN([C@H](C)c2nc(C(=O)[O-])co2)CC1	ZINC001588479446	983519496	/nfs/dbraw/zinc/51/94/96/983519496.db2.gz	OKCRJYWQTVCOMD-SNVBAGLBSA-N	-1	0	305.334	0.895	20	30		DCEDRM
C#CCOCCC(=O)NC[C@@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001588490020	983530345	/nfs/dbraw/zinc/53/03/45/983530345.db2.gz	PZSVJJOQXCZDPG-SNVBAGLBSA-N	-1	0	306.322	0.131	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2	ZINC001588490097	983530606	/nfs/dbraw/zinc/53/06/06/983530606.db2.gz	RADVOJOTHXEGDU-OAHLLOKOSA-N	-1	0	303.314	0.903	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1OC	ZINC001588490221	983531157	/nfs/dbraw/zinc/53/11/57/983531157.db2.gz	ITQDLIGMAYOAPJ-IINYFYTJSA-N	-1	0	321.329	0.984	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1(C(=O)[O-])CC1	ZINC001588498680	983543919	/nfs/dbraw/zinc/54/39/19/983543919.db2.gz	BRDGSTTZKXAKHA-UHFFFAOYSA-N	-1	0	320.276	0.510	20	30		DCEDRM
C#CCn1ccc(CN(CC)S(=O)(=O)C[C@@H](C)C(=O)[O-])n1	ZINC001588509821	983553703	/nfs/dbraw/zinc/55/37/03/983553703.db2.gz	OWCICVRUMINQBD-LLVKDONJSA-N	-1	0	313.379	0.389	20	30		DCEDRM
C#Cc1ccc(C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)cc1	ZINC001588511455	983559538	/nfs/dbraw/zinc/55/95/38/983559538.db2.gz	VJJACWRGSFBVTJ-UHFFFAOYSA-N	-1	0	324.340	0.762	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1	ZINC001588517596	983565664	/nfs/dbraw/zinc/56/56/64/983565664.db2.gz	WTLLQSGMHVNNIG-CHWSQXEVSA-N	-1	0	316.313	0.043	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)cc1	ZINC001588517940	983567035	/nfs/dbraw/zinc/56/70/35/983567035.db2.gz	JZAUDBMVQKCOJP-OCCSQVGLSA-N	-1	0	323.370	0.684	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)cc1	ZINC001588517999	983567350	/nfs/dbraw/zinc/56/73/50/983567350.db2.gz	MBDDNMKOTFOGSV-UHFFFAOYSA-N	-1	0	309.343	0.268	20	30		DCEDRM
C#Cc1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)cc1	ZINC001588517967	983567481	/nfs/dbraw/zinc/56/74/81/983567481.db2.gz	KWAGCCZALWCBQW-CYBMUJFWSA-N	-1	0	300.314	0.930	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)CC(=O)NCCC(=O)[O-])c1	ZINC001588523424	983572480	/nfs/dbraw/zinc/57/24/80/983572480.db2.gz	KDDICCJKMYKUOT-UHFFFAOYSA-N	-1	0	317.345	0.129	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588524888	983576766	/nfs/dbraw/zinc/57/67/66/983576766.db2.gz	XGDWNCBQVUWNAQ-INIZCTEOSA-N	-1	0	301.342	0.895	20	30		DCEDRM
C#Cc1cncc(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)c1	ZINC001588529110	983579954	/nfs/dbraw/zinc/57/99/54/983579954.db2.gz	QUWXWFWXSIGZHW-UHFFFAOYSA-N	-1	0	313.313	0.899	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001588533990	983585055	/nfs/dbraw/zinc/58/50/55/983585055.db2.gz	CUJIJFQBUSSPNT-NDBYEHHHSA-N	-1	0	312.366	0.445	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001588533987	983585195	/nfs/dbraw/zinc/58/51/95/983585195.db2.gz	CUJIJFQBUSSPNT-LPWJVIDDSA-N	-1	0	312.366	0.445	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cncc(C(=O)[O-])c1	ZINC001596230952	983625333	/nfs/dbraw/zinc/62/53/33/983625333.db2.gz	DLDMGUQUOMTONR-JTQLQIEISA-N	-1	0	319.317	0.945	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(C[C@H](C)C(=O)[O-])C1CC1	ZINC001596231173	983625826	/nfs/dbraw/zinc/62/58/26/983625826.db2.gz	HTZRIOPTCAKHJK-MNOVXSKESA-N	-1	0	317.411	0.898	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC001596231544	983626790	/nfs/dbraw/zinc/62/67/90/983626790.db2.gz	PQQNNALRQRYSIN-JQWIXIFHSA-N	-1	0	317.411	0.803	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-]	ZINC001588553355	983628135	/nfs/dbraw/zinc/62/81/35/983628135.db2.gz	LTZWLHBBIBXNHQ-VIFPVBQESA-N	-1	0	307.368	0.524	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC001588555298	983634214	/nfs/dbraw/zinc/63/42/14/983634214.db2.gz	DUHIDIGDKWCNJO-GFCCVEGCSA-N	-1	0	313.379	0.991	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-]	ZINC001588555692	983636532	/nfs/dbraw/zinc/63/65/32/983636532.db2.gz	PJMKEVPLBSSUHI-SECBINFHSA-N	-1	0	317.319	0.764	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-]	ZINC001588555745	983636984	/nfs/dbraw/zinc/63/69/84/983636984.db2.gz	QJFGSNUGNPWYDC-VIFPVBQESA-N	-1	0	316.335	0.499	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccnn1COC)C(=O)[O-]	ZINC001588555736	983637074	/nfs/dbraw/zinc/63/70/74/983637074.db2.gz	QHHDNMAVADSVFT-SECBINFHSA-N	-1	0	303.340	0.185	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC	ZINC001588555991	983638289	/nfs/dbraw/zinc/63/82/89/983638289.db2.gz	YXPNPUKOABUPMC-VIFPVBQESA-N	-1	0	317.319	0.764	20	30		DCEDRM
C=C(C)CCn1nnnc1N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588561638	983642462	/nfs/dbraw/zinc/64/24/62/983642462.db2.gz	RLVRIWKJVIFWGX-ZDUSSCGKSA-N	-1	0	306.326	0.449	20	30		DCEDRM
C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)Cn1cc(C(=O)[O-])nn1	ZINC001588562619	983642854	/nfs/dbraw/zinc/64/28/54/983642854.db2.gz	AJZDWXJDSGGDGP-JTQLQIEISA-N	-1	0	324.337	0.333	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1	ZINC001588615308	983711512	/nfs/dbraw/zinc/71/15/12/983711512.db2.gz	PVESNWWRINKNMB-ZDUSSCGKSA-N	-1	0	324.377	0.647	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCSC[C@@H]1CC(=O)OC	ZINC001588619277	983715928	/nfs/dbraw/zinc/71/59/28/983715928.db2.gz	POLOVVOUSAALLV-JTQLQIEISA-N	-1	0	301.364	0.915	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC001596299930	983727322	/nfs/dbraw/zinc/72/73/22/983727322.db2.gz	IYDZVVMOIVVEGL-QWRGUYRKSA-N	-1	0	319.383	0.079	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC1CCN([C@@H]2CCOC2=O)CC1	ZINC001588623598	983728911	/nfs/dbraw/zinc/72/89/11/983728911.db2.gz	TZCGBFHVACANJJ-GFCCVEGCSA-N	-1	0	310.350	0.304	20	30		DCEDRM
CC(C)[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCCO1	ZINC001450206846	1014974845	/nfs/dbraw/zinc/97/48/45/1014974845.db2.gz	GVHQRMQGOANHLL-GFCCVEGCSA-N	-1	0	320.349	0.094	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC/C=C/CNc1ncc(C(=O)[O-])cn1	ZINC001588684032	983854229	/nfs/dbraw/zinc/85/42/29/983854229.db2.gz	JIHQQEIHKCHJHI-RGDDUWESSA-N	-1	0	320.349	0.586	20	30		DCEDRM
C=C[C@H](C)ONC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001588687387	983870513	/nfs/dbraw/zinc/87/05/13/983870513.db2.gz	NTLSEWGIBNBSQM-SMDDNHRTSA-N	-1	0	313.354	0.063	20	30		DCEDRM
C=C[C@H](OC(=O)COC1CN(C(=O)OC(C)(C)C)C1)C(=O)[O-]	ZINC001588710942	983934851	/nfs/dbraw/zinc/93/48/51/983934851.db2.gz	KHIJUJSJPXQGAO-JTQLQIEISA-N	-1	0	315.322	0.805	20	30		DCEDRM
C=CC[C@@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)C(=O)OCC	ZINC001588743453	984037233	/nfs/dbraw/zinc/03/72/33/984037233.db2.gz	WTGRVABEZNFVPX-GFCCVEGCSA-N	-1	0	323.349	0.986	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001588754333	984093356	/nfs/dbraw/zinc/09/33/56/984093356.db2.gz	YDUJQBMYMPIURV-PWSUYJOCSA-N	-1	0	321.333	0.736	20	30		DCEDRM
CCN1CCO[C@@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001596442491	984137435	/nfs/dbraw/zinc/13/74/35/984137435.db2.gz	MGFJBCFLQUHRJA-ZIAGYGMSSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C=CCCC(=O)NC1CC(CNc2ccnc(C(=O)[O-])n2)C1	ZINC001588774077	984150883	/nfs/dbraw/zinc/15/08/83/984150883.db2.gz	RPZXRAJPYZOCIV-UHFFFAOYSA-N	-1	0	304.350	0.870	20	30		DCEDRM
C=CCCC(=O)NC[C@@H](Nc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001588774095	984150894	/nfs/dbraw/zinc/15/08/94/984150894.db2.gz	SQSZPFWLCJUCTM-LLVKDONJSA-N	-1	0	304.350	0.870	20	30		DCEDRM
C=CCCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)[C@H]1C	ZINC001588774149	984151371	/nfs/dbraw/zinc/15/13/71/984151371.db2.gz	UXDBMMPCOBUSES-MNOVXSKESA-N	-1	0	304.350	0.964	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001588805924	984256868	/nfs/dbraw/zinc/25/68/68/984256868.db2.gz	SAUKDFFZLRITQM-SNVBAGLBSA-N	-1	0	307.368	0.478	20	30		DCEDRM
C=CCCOCC(=O)O[C@H]1C[C@H](C(=O)[O-])N(c2cnccn2)C1	ZINC001588810535	984267983	/nfs/dbraw/zinc/26/79/83/984267983.db2.gz	WROKRRFXIWOFKM-NWDGAFQWSA-N	-1	0	321.333	0.644	20	30		DCEDRM
C=CCN(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[C@@H](C)COC	ZINC001588820472	984284315	/nfs/dbraw/zinc/28/43/15/984284315.db2.gz	FGMCSUKHHDOMEU-QJPTWQEYSA-N	-1	0	300.355	0.709	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC001588822459	984290207	/nfs/dbraw/zinc/29/02/07/984290207.db2.gz	LPJWFOBGIUMXBW-UHFFFAOYSA-N	-1	0	302.330	0.914	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O	ZINC001588825454	984300790	/nfs/dbraw/zinc/30/07/90/984300790.db2.gz	QQDSBSGFXXZBJN-HNNXBMFYSA-N	-1	0	323.349	0.362	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001588828578	984307425	/nfs/dbraw/zinc/30/74/25/984307425.db2.gz	BJCIPECDCCMFPB-OAHLLOKOSA-N	-1	0	312.366	0.361	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)S(=O)(=O)CC(C)(C)C(=O)[O-])C1=O	ZINC001588839574	984348409	/nfs/dbraw/zinc/34/84/09/984348409.db2.gz	SHZLMGKGCICPBL-SNVBAGLBSA-N	-1	0	318.395	0.146	20	30		DCEDRM
C=CCOCC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588850081	984378540	/nfs/dbraw/zinc/37/85/40/984378540.db2.gz	WPCUSTUJGPZLDS-VXGBXAGGSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C(=O)[O-]	ZINC001588850759	984379764	/nfs/dbraw/zinc/37/97/64/984379764.db2.gz	CXJVZZGNLOIVAR-WDEREUQCSA-N	-1	0	314.382	0.699	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CNC(=O)CC1CCCC1)C(=O)[O-]	ZINC001588853647	984384966	/nfs/dbraw/zinc/38/49/66/984384966.db2.gz	DPXDFHWGRWTJCR-LBPRGKRZSA-N	-1	0	312.366	0.455	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC001588853745	984385473	/nfs/dbraw/zinc/38/54/73/984385473.db2.gz	GZGZLVXUJINLSQ-ZDUSSCGKSA-N	-1	0	303.318	0.742	20	30		DCEDRM
C=CCOC[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)C(=O)OC	ZINC001588853853	984386974	/nfs/dbraw/zinc/38/69/74/984386974.db2.gz	JPYCHWADTBWVKR-ZRQQLDRUSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)C(=O)[O-]	ZINC001588856619	984401334	/nfs/dbraw/zinc/40/13/34/984401334.db2.gz	NVBNMKBXEGBFTC-NEPJUHHUSA-N	-1	0	300.355	0.309	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(-n2ccnc2)nc1)C(=O)[O-]	ZINC001588859780	984408094	/nfs/dbraw/zinc/40/80/94/984408094.db2.gz	WSQUBPBEHXVOFM-LBPRGKRZSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ncoc1[C@@H]1CCCO1)C(=O)[O-]	ZINC001588860088	984410737	/nfs/dbraw/zinc/41/07/37/984410737.db2.gz	IKUSIUMPSIHAOB-UWVGGRQHSA-N	-1	0	310.306	0.912	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1[nH]cnc1C(F)(F)F)C(=O)[O-]	ZINC001588860377	984412700	/nfs/dbraw/zinc/41/27/00/984412700.db2.gz	SNEVKMSYPPYBQF-LURJTMIESA-N	-1	0	307.228	0.814	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccnc(NC)c1[N+](=O)[O-])C(=O)[O-]	ZINC001588860432	984413295	/nfs/dbraw/zinc/41/32/95/984413295.db2.gz	UTIUDRQYFWCBFZ-VIFPVBQESA-N	-1	0	324.293	0.417	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(NC(=O)NC)cc1)C(=O)[O-]	ZINC001588862119	984417417	/nfs/dbraw/zinc/41/74/17/984417417.db2.gz	QIPRNMJQHFZYTL-LBPRGKRZSA-N	-1	0	321.333	0.824	20	30		DCEDRM
C=CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588897330	984509283	/nfs/dbraw/zinc/50/92/83/984509283.db2.gz	QDTBINZNLXGHKA-FIXISWKDSA-N	-1	0	317.349	0.771	20	30		DCEDRM
C=CCn1c(Cc2cc[nH]n2)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588904009	984525853	/nfs/dbraw/zinc/52/58/53/984525853.db2.gz	DEKZDLBKELWTBL-AWEZNQCLSA-N	-1	0	320.328	0.781	20	30		DCEDRM
C=CCn1cnn(CN2CC(n3cc(C(=O)[O-])nn3)C2)c1=S	ZINC001588909047	984541782	/nfs/dbraw/zinc/54/17/82/984541782.db2.gz	GUHNEYFJLLVDIC-UHFFFAOYSA-N	-1	0	321.366	0.404	20	30		DCEDRM
C=CCn1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cn2)nn1	ZINC001588909791	984545405	/nfs/dbraw/zinc/54/54/05/984545405.db2.gz	AJNHWDVXAVHMBU-UHFFFAOYSA-N	-1	0	301.306	0.830	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O	ZINC001588916425	984560605	/nfs/dbraw/zinc/56/06/05/984560605.db2.gz	MCQWUAWYOIFMQM-BJDJZHNGSA-N	-1	0	308.334	0.705	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCc2nnn(C)c2C1	ZINC001524740778	1015047604	/nfs/dbraw/zinc/04/76/04/1015047604.db2.gz	QDDCHMUYRVKHNZ-UWVGGRQHSA-N	-1	0	312.333	0.245	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC001588926117	984591432	/nfs/dbraw/zinc/59/14/32/984591432.db2.gz	JQULWGYRSZCFSC-NSHDSACASA-N	-1	0	318.329	0.522	20	30		DCEDRM
CCCC[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001383212053	984720731	/nfs/dbraw/zinc/72/07/31/984720731.db2.gz	HGZRQKXRRWWGJT-KOLCDFICSA-N	-1	0	321.381	0.988	20	30		DCEDRM
C[C@H]1CN(C(=O)N[C@H](CC#N)C(F)(F)F)C[C@@H](C(=O)[O-])O1	ZINC001599917910	985085036	/nfs/dbraw/zinc/08/50/36/985085036.db2.gz	YOUCFBOCQZHZFE-BIIVOSGPSA-N	-1	0	309.244	0.714	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC001596869658	985690739	/nfs/dbraw/zinc/69/07/39/985690739.db2.gz	QQODLEZHLYIUMF-CHWSQXEVSA-N	-1	0	306.318	0.540	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCC1=CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001589328562	986157649	/nfs/dbraw/zinc/15/76/49/986157649.db2.gz	CJLMKSNLHMABPO-JTQLQIEISA-N	-1	0	315.333	0.587	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@](C)(CNc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001589329017	986160189	/nfs/dbraw/zinc/16/01/89/986160189.db2.gz	HNOWYNKIALVZRY-RFAUZJTJSA-N	-1	0	317.349	0.453	20	30		DCEDRM
C[C@H](C#N)C(=O)NCCCN(c1ncc(C(=O)[O-])cn1)C1CC1	ZINC001589329453	986163658	/nfs/dbraw/zinc/16/36/58/986163658.db2.gz	NDCXCZXCQNSVMI-SNVBAGLBSA-N	-1	0	317.349	0.810	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1CCCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001589329519	986164486	/nfs/dbraw/zinc/16/44/86/986164486.db2.gz	OXDZFSVWUCADFC-PWSUYJOCSA-N	-1	0	317.349	0.810	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccoc1C(=O)[O-]	ZINC001589330467	986173746	/nfs/dbraw/zinc/17/37/46/986173746.db2.gz	GJINNLBYKZZDBS-QMMMGPOBSA-N	-1	0	301.324	0.404	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001589330613	986175683	/nfs/dbraw/zinc/17/56/83/986175683.db2.gz	KZNKSRDNDBKCRC-VHSXEESVSA-N	-1	0	321.424	0.072	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001589330612	986175919	/nfs/dbraw/zinc/17/59/19/986175919.db2.gz	KZNKSRDNDBKCRC-UWVGGRQHSA-N	-1	0	321.424	0.072	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001589330670	986176047	/nfs/dbraw/zinc/17/60/47/986176047.db2.gz	MVVFCYNXHRAYME-NHCYSSNCSA-N	-1	0	303.384	0.365	20	30		DCEDRM
C[C@H](C#N)CNC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001589331044	986182892	/nfs/dbraw/zinc/18/28/92/986182892.db2.gz	ZAKRELSDCDTSMA-IAQYHMDHSA-N	-1	0	309.366	0.937	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001589557421	987306788	/nfs/dbraw/zinc/30/67/88/987306788.db2.gz	CNZPXFRSRDHION-VHSXEESVSA-N	-1	0	304.368	0.193	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001589558036	987308727	/nfs/dbraw/zinc/30/87/27/987308727.db2.gz	KXTNKVJIFPWRKU-DBIOUOCHSA-N	-1	0	300.380	0.955	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H](CF)C(=O)[O-]	ZINC001589866404	988471173	/nfs/dbraw/zinc/47/11/73/988471173.db2.gz	FBYJTJDJZHMNQX-SDBXPKJASA-N	-1	0	302.302	0.787	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC(N=Nc2nc[nH]n2)C[C@H](C(=O)[O-])C1	ZINC001589910047	988642889	/nfs/dbraw/zinc/64/28/89/988642889.db2.gz	UDSFAGHKMKGYTB-QMMMGPOBSA-N	-1	0	324.341	0.914	20	30		DCEDRM
CN(C(=O)CCNC(=O)C1N=CC=CC1=O)C(C)(C)CC(=O)[O-]	ZINC001598012549	990184040	/nfs/dbraw/zinc/18/40/40/990184040.db2.gz	IRRPACVIVWBBEC-BUHFOSPRSA-N	-1	0	323.349	0.615	20	30		DCEDRM
CN(C(=O)Cn1cccc(C(=O)[O-])c1=O)[C@@H]1CCC[C@@H]1C#N	ZINC001598041700	990276648	/nfs/dbraw/zinc/27/66/48/990276648.db2.gz	UTSCVMJIMBGTAX-ZYHUDNBSSA-N	-1	0	303.318	0.697	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(Cc2cnc(C(=O)[O-])cn2)CC1	ZINC001590952382	991013047	/nfs/dbraw/zinc/01/30/47/991013047.db2.gz	CHKRHEUCWUZAPB-CQSZACIVSA-N	-1	0	303.366	0.841	20	30		DCEDRM
CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(C#N)nn1	ZINC001598478989	992119615	/nfs/dbraw/zinc/11/96/15/992119615.db2.gz	FXWILGZXSQFODU-WDEREUQCSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cncc(C#N)n1	ZINC001598479682	992128620	/nfs/dbraw/zinc/12/86/20/992128620.db2.gz	KTDVSIQJIXOBKY-WDEREUQCSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CN(CCCNc1cnc(C#N)cn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001598483631	992186943	/nfs/dbraw/zinc/18/69/43/992186943.db2.gz	XDFOIIHOKOBEQF-GHMZBOCLSA-N	-1	0	303.322	0.329	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)c1cc(C(=O)[O-])ncn1	ZINC001598485974	992207059	/nfs/dbraw/zinc/20/70/59/992207059.db2.gz	ZPIDBJBGCLNRME-UHFFFAOYSA-N	-1	0	301.310	0.421	20	30		DCEDRM
C[N@@H+]1CCN(C(=O)Cc2cccc(C#N)c2)C[C@H](C(=O)[O-])C1	ZINC001598607005	993680455	/nfs/dbraw/zinc/68/04/55/993680455.db2.gz	GVCBPCFKPMCZKA-CQSZACIVSA-N	-1	0	301.346	0.576	20	30		DCEDRM
CNc1nccc(C(=O)N(CC#N)CCC(=O)[O-])c1[N+](=O)[O-]	ZINC001598682092	994945843	/nfs/dbraw/zinc/94/58/43/994945843.db2.gz	UFJGGAWBJDJZEH-UHFFFAOYSA-N	-1	0	307.266	0.472	20	30		DCEDRM
COC(=O)[C@H](CCC(=O)[O-])N1CCC(C#N)(C(=O)OC)CC1	ZINC001598698081	995175049	/nfs/dbraw/zinc/17/50/49/995175049.db2.gz	RRNJRDFUZYDWMQ-JTQLQIEISA-N	-1	0	312.322	0.172	20	30		DCEDRM
COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001598713068	995371117	/nfs/dbraw/zinc/37/11/17/995371117.db2.gz	SZOUZIYHYHSDND-SWHYSGLUSA-N	-1	0	318.329	0.946	20	30		DCEDRM
C[C@H](OC(=O)c1ccc(C#N)[nH]1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001593573044	995670371	/nfs/dbraw/zinc/67/03/71/995670371.db2.gz	NITBZYVUFIDSHS-VIFPVBQESA-N	-1	0	319.317	0.755	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1Cc1nc(C#N)cs1	ZINC001598770087	995875921	/nfs/dbraw/zinc/87/59/21/995875921.db2.gz	DOYNLFSQRBMROK-WCBMZHEXSA-N	-1	0	309.347	0.853	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(C#N)o2)C1	ZINC001598774019	995911222	/nfs/dbraw/zinc/91/12/22/995911222.db2.gz	PARSBAWBVPKZRV-WCBMZHEXSA-N	-1	0	306.274	0.630	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cccc(C#N)n2)C1	ZINC001598782045	995995486	/nfs/dbraw/zinc/99/54/86/995995486.db2.gz	XXFCURCUFJUXII-BXKDBHETSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)Nc2sccc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598814277	996256647	/nfs/dbraw/zinc/25/66/47/996256647.db2.gz	KBTZDUVEFGLKLH-DTWKUNHWSA-N	-1	0	323.330	0.957	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)Nc2ccnc(C#N)c2)C[C@@H]1C(=O)[O-]	ZINC001598814358	996257179	/nfs/dbraw/zinc/25/71/79/996257179.db2.gz	KQXVZLWPSYEGRU-WDEREUQCSA-N	-1	0	318.289	0.291	20	30		DCEDRM
C[C@]1(C#N)CN(C(=O)c2ccc(OCC(=O)[O-])cc2)CCO1	ZINC001593743519	996369034	/nfs/dbraw/zinc/36/90/34/996369034.db2.gz	RQOYINDJQUPIOE-HNNXBMFYSA-N	-1	0	304.302	0.905	20	30		DCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CCO1	ZINC001593743713	996370963	/nfs/dbraw/zinc/37/09/63/996370963.db2.gz	ZKMMCJZBARQMRD-CQSZACIVSA-N	-1	0	324.358	0.829	20	30		DCEDRM
COC(=O)[C@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1C(=O)[O-]	ZINC001598829765	996423324	/nfs/dbraw/zinc/42/33/24/996423324.db2.gz	VLIPOMYMISZQQO-IUCAKERBSA-N	-1	0	309.709	0.917	20	30		DCEDRM
COC(=O)C[C@@H](NC(=O)/C=C\c1ccccc1C#N)C(=O)[O-]	ZINC001598836501	996489943	/nfs/dbraw/zinc/48/99/43/996489943.db2.gz	DPXUKMWQVGMQNO-ZHRWSRJISA-N	-1	0	302.286	0.704	20	30		DCEDRM
COC(=O)Cc1ccnc(N2CCC(C#N)(C(=O)[O-])CC2)c1	ZINC001598872789	996745387	/nfs/dbraw/zinc/74/53/87/996745387.db2.gz	BZNYBTIUIVDQNH-UHFFFAOYSA-N	-1	0	303.318	0.992	20	30		DCEDRM
CC1(C)CN(C(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)CCO1	ZINC001593929013	996884462	/nfs/dbraw/zinc/88/44/62/996884462.db2.gz	GARPIWASGRKZMU-UHFFFAOYSA-N	-1	0	319.317	0.056	20	30		DCEDRM
COc1ccc(C(=O)[O-])c2c1CN(CC(=O)NCC#N)CC2	ZINC001599501636	997133678	/nfs/dbraw/zinc/13/36/78/997133678.db2.gz	PDKDTAHJSMZHJC-UHFFFAOYSA-N	-1	0	303.318	0.391	20	30		DCEDRM
COC(=O)c1cc(C#N)c(=O)n(Cc2occc2C(=O)[O-])c1	ZINC001598918134	997514257	/nfs/dbraw/zinc/51/42/57/997514257.db2.gz	AUPJNTUPIGPERS-UHFFFAOYSA-N	-1	0	302.242	0.846	20	30		DCEDRM
CO[C@@H]1CN(C(=O)c2cc(O)cc(C#N)c2)[C@](C)(C(=O)[O-])C1	ZINC001599130687	997937446	/nfs/dbraw/zinc/93/74/46/997937446.db2.gz	POVIETUJXMCBAH-WFASDCNBSA-N	-1	0	304.302	0.968	20	30		DCEDRM
COCC#CC(=O)N[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O	ZINC001599138124	998078964	/nfs/dbraw/zinc/07/89/64/998078964.db2.gz	IGDCVTRPDJYWNO-ZDUSSCGKSA-N	-1	0	316.313	0.404	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCCNc1ncccc1C#N	ZINC001594149725	998517782	/nfs/dbraw/zinc/51/77/82/998517782.db2.gz	NBDDTNCVPUAJSQ-PWSUYJOCSA-N	-1	0	317.349	0.870	20	30		DCEDRM
COC(=O)c1cccc([C@H](C(=O)[O-])N2CC[C@@](O)(CC#N)C2)c1	ZINC001598997177	998790730	/nfs/dbraw/zinc/79/07/30/998790730.db2.gz	RCLIHJIERRLEAI-CJNGLKHVSA-N	-1	0	318.329	0.949	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@@H]1C	ZINC001511287156	1016247331	/nfs/dbraw/zinc/24/73/31/1016247331.db2.gz	VLJUNMCJYHKLDG-ONGXEEELSA-N	-1	0	322.365	0.346	20	30		DCEDRM
C#C[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)C	ZINC001468596627	1016265664	/nfs/dbraw/zinc/26/56/64/1016265664.db2.gz	IZQFCSHSOZJIQH-LLVKDONJSA-N	-1	0	302.334	0.375	20	30		DCEDRM
C=CCCCC(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001511513656	1016327682	/nfs/dbraw/zinc/32/76/82/1016327682.db2.gz	LUTGRTSAQJPDCI-NSHDSACASA-N	-1	0	324.381	0.329	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1CN(C2CC2)C(=O)O1	ZINC001469463193	1016337181	/nfs/dbraw/zinc/33/71/81/1016337181.db2.gz	CWUQKCDVPIJAPC-NSHDSACASA-N	-1	0	316.317	0.680	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ncoc2C2CC2)c(=O)[n-]c1=O	ZINC001418536361	1000324793	/nfs/dbraw/zinc/32/47/93/1000324793.db2.gz	MTNBUGYSMROVTJ-UHFFFAOYSA-N	-1	0	315.289	0.116	20	30		DCEDRM
CO[C@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001418553098	1000340101	/nfs/dbraw/zinc/34/01/01/1000340101.db2.gz	AXIWXKCMNCGGAU-GFCCVEGCSA-N	-1	0	320.349	0.142	20	30		DCEDRM
N#Cc1cccc(-n2ccc(C(=O)[N-]n3ccc(=O)[nH]c3=O)n2)c1	ZINC001470662063	1016479676	/nfs/dbraw/zinc/47/96/76/1016479676.db2.gz	WFMSOTBFIXOSBF-UHFFFAOYSA-N	-1	0	322.284	0.390	20	30		DCEDRM
CN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@H]1CCC[C@H]1C#N	ZINC001471050568	1016514003	/nfs/dbraw/zinc/51/40/03/1016514003.db2.gz	MOIJTTIBFQJJDK-CABZTGNLSA-N	-1	0	323.374	0.804	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2COC3(CCC3)C2)c(=O)[n-]c1=O	ZINC001471546624	1016600683	/nfs/dbraw/zinc/60/06/83/1016600683.db2.gz	OPGKYPKXKDXKPW-NSHDSACASA-N	-1	0	318.333	0.038	20	30		DCEDRM
CCOC(=O)[C@@]1(C)CCC[C@@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421207227	1003443763	/nfs/dbraw/zinc/44/37/63/1003443763.db2.gz	WANIMUMXVHPMKK-BONVTDFDSA-N	-1	0	320.349	0.479	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C(=O)c3ccccc3)C2)c(=O)[n-]c1=O	ZINC001472601698	1016835727	/nfs/dbraw/zinc/83/57/27/1016835727.db2.gz	TYJCQLBMIKJBKH-UHFFFAOYSA-N	-1	0	324.296	0.087	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)c1[O-]	ZINC001427126504	1004221248	/nfs/dbraw/zinc/22/12/48/1004221248.db2.gz	BOYMHZJAWUEQJH-PSASIEDQSA-N	-1	0	319.365	0.550	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@@H]1CCC(=O)N(C)C1	ZINC001417883178	1005914433	/nfs/dbraw/zinc/91/44/33/1005914433.db2.gz	AWQXRUWCCSIYJC-LLVKDONJSA-N	-1	0	302.334	0.660	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2nccn2C2CC2)c(=O)[n-]c1=O	ZINC001417972442	1005944123	/nfs/dbraw/zinc/94/41/23/1005944123.db2.gz	SHLJLAWNANSFNI-UHFFFAOYSA-N	-1	0	314.305	0.381	20	30		DCEDRM
C=CCCOCC(=O)N(C)[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001508812948	1017046315	/nfs/dbraw/zinc/04/63/15/1017046315.db2.gz	KCVLJBSIYYZXSP-JTQLQIEISA-N	-1	0	324.381	0.593	20	30		DCEDRM
N#Cc1cccc(CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001453841427	1008755369	/nfs/dbraw/zinc/75/53/69/1008755369.db2.gz	IMDVSSFYGHNBJC-UHFFFAOYSA-N	-1	0	323.312	0.051	20	30		DCEDRM
N#Cc1cn(CCNC(=O)COC2CCCCC2)c(=O)[n-]c1=O	ZINC001453842658	1008756129	/nfs/dbraw/zinc/75/61/29/1008756129.db2.gz	MVKDWHZMZQATRV-UHFFFAOYSA-N	-1	0	320.349	0.286	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCCS(=O)(=O)C1	ZINC001433709608	1009104953	/nfs/dbraw/zinc/10/49/53/1009104953.db2.gz	QADMCTTWUAJNRY-SNVBAGLBSA-N	-1	0	309.347	0.274	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2n[nH]cc2C2CC2)c(=O)[n-]c1=O	ZINC001434118492	1009583917	/nfs/dbraw/zinc/58/39/17/1009583917.db2.gz	YWPHNDDQFKFKGS-UHFFFAOYSA-N	-1	0	314.305	0.450	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2C[C@H]2c2ccccc2)c(=O)[n-]c1=O	ZINC001434123600	1009593086	/nfs/dbraw/zinc/59/30/86/1009593086.db2.gz	KEETTYWHPKMEQA-JSGCOSHPSA-N	-1	0	324.340	0.740	20	30		DCEDRM
Cc1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)sc1C	ZINC001434208549	1009664042	/nfs/dbraw/zinc/66/40/42/1009664042.db2.gz	UCTUAFDISPBKKH-UHFFFAOYSA-N	-1	0	318.358	0.929	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCN(C)[C@@H](CO)C2)cc1C#N	ZINC001434280529	1009720852	/nfs/dbraw/zinc/72/08/52/1009720852.db2.gz	WVCOPGLMNFVKGT-SNVBAGLBSA-N	-1	0	322.390	0.129	20	30		DCEDRM
CC(C)c1nsc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001455478564	1009761822	/nfs/dbraw/zinc/76/18/22/1009761822.db2.gz	CCVIUFBUNXUHSV-UHFFFAOYSA-N	-1	0	320.334	0.434	20	30		DCEDRM
C[C@@H](NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O)c1cccs1	ZINC001434452727	1009969840	/nfs/dbraw/zinc/96/98/40/1009969840.db2.gz	DMAHFLBCMVSSEW-MRVPVSSYSA-N	-1	0	304.331	0.347	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCCC[C@H]1CNC(N)=O	ZINC001443040217	1010080166	/nfs/dbraw/zinc/08/01/66/1010080166.db2.gz	CRGUJOANQBUEKG-NSHDSACASA-N	-1	0	317.349	0.630	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@]23C[C@H]2CCC3)c(=O)[n-]c1=O	ZINC001456096723	1010092989	/nfs/dbraw/zinc/09/29/89/1010092989.db2.gz	SRFNMSXTKBZSKB-ABAIWWIYSA-N	-1	0	302.334	0.517	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c2nonc21	ZINC001475336200	1017091279	/nfs/dbraw/zinc/09/12/79/1017091279.db2.gz	KXLGOTZODRYXRT-LURJTMIESA-N	-1	0	301.711	0.149	20	30		DCEDRM
Cc1noc(C)c1CCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001458294387	1012129300	/nfs/dbraw/zinc/12/93/00/1012129300.db2.gz	OXOPWPNVVSTQTH-UHFFFAOYSA-N	-1	0	303.322	0.595	20	30		DCEDRM
Cc1cnc2c(cnn2CC(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC001557255958	1012270284	/nfs/dbraw/zinc/27/02/84/1012270284.db2.gz	UMQHGXULIBPKBC-UHFFFAOYSA-N	-1	0	306.289	0.845	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cc3c[nH]ccc-3n2)c(=O)[n-]c1=O	ZINC001557601367	1012285922	/nfs/dbraw/zinc/28/59/22/1012285922.db2.gz	JFCHCHNILRXOHL-UHFFFAOYSA-N	-1	0	324.300	0.127	20	30		DCEDRM
N#Cc1cccc(-c2cc(C(=O)[N-]n3ccc(=O)[nH]c3=O)on2)c1	ZINC001557735716	1012297673	/nfs/dbraw/zinc/29/76/73/1012297673.db2.gz	NEPMNVGLXZPPTL-UHFFFAOYSA-N	-1	0	323.268	0.859	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(C2CCOCC2)nn1C)C(=O)[O-]	ZINC001517362775	1017168824	/nfs/dbraw/zinc/16/88/24/1017168824.db2.gz	BMUORURCJUAQNG-LLVKDONJSA-N	-1	0	305.334	0.520	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](CCNC(=O)[C@H](C)C#N)C(C)C)c1[O-]	ZINC001510277966	1017573541	/nfs/dbraw/zinc/57/35/41/1017573541.db2.gz	WRBHKJDMTNGVIZ-MWLCHTKSSA-N	-1	0	321.381	0.844	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001498334556	1018967820	/nfs/dbraw/zinc/96/78/20/1018967820.db2.gz	SGFBTHJHGGQHAF-UHFFFAOYSA-N	-1	0	306.366	0.967	20	30		DCEDRM
CC#CCCCC(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1	ZINC001493400733	1019398463	/nfs/dbraw/zinc/39/84/63/1019398463.db2.gz	FATNOTGRUXDPMW-UHFFFAOYSA-N	-1	0	305.382	0.785	20	30		DCEDRM
C=C(C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-]	ZINC001494420371	1020196194	/nfs/dbraw/zinc/19/61/94/1020196194.db2.gz	WDGRSTLWEDASFI-PJXYFTJBSA-N	-1	0	318.377	0.967	20	30		DCEDRM
COc1cc(C(=O)N(CC#N)CCC(=O)[O-])cc(OC)c1O	ZINC001607067741	1170379415	/nfs/dbraw/zinc/37/94/15/1170379415.db2.gz	CUXUGMGJTHVYGO-UHFFFAOYSA-N	-1	0	308.290	0.850	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCc2cnoc2)c(C(=O)[O-])c1	ZINC001608212227	1170616299	/nfs/dbraw/zinc/61/62/99/1170616299.db2.gz	XJTUXTDVRVELGW-UHFFFAOYSA-N	-1	0	307.287	0.723	20	30		DCEDRM
C=CCNC(=O)CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000279759548	215121817	/nfs/dbraw/zinc/12/18/17/215121817.db2.gz	PGUPCCWJCRYKQF-VIFPVBQESA-N	-1	0	309.288	0.108	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275074563	212106053	/nfs/dbraw/zinc/10/60/53/212106053.db2.gz	XKRRNIOVXXLPGJ-VIFPVBQESA-N	-1	0	312.303	0.740	20	30		DCEDRM
Cc1cccc(S(=O)(=O)NCCSCC(=O)[O-])c1C#N	ZINC000275044557	212091451	/nfs/dbraw/zinc/09/14/51/212091451.db2.gz	RNCXITQYPVKTMA-UHFFFAOYSA-N	-1	0	314.388	0.963	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000275018861	212076887	/nfs/dbraw/zinc/07/68/87/212076887.db2.gz	OKXKZYHZSSYKDN-LBPRGKRZSA-N	-1	0	310.331	0.659	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000275005558	212068541	/nfs/dbraw/zinc/06/85/41/212068541.db2.gz	MLSMMOJQIMIXTE-VIFPVBQESA-N	-1	0	309.303	0.368	20	30		DCEDRM
N#Cc1cc(Cl)ccc1S(=O)(=O)NCC[C@H](O)C(=O)[O-]	ZINC000274889431	212011886	/nfs/dbraw/zinc/01/18/86/212011886.db2.gz	FOHFYNUVXIYFNQ-VIFPVBQESA-N	-1	0	318.738	0.326	20	30		DCEDRM
COCn1nc(C)c(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1C	ZINC000340636413	253286104	/nfs/dbraw/zinc/28/61/04/253286104.db2.gz	YCOYRJKXXJCNNO-UHFFFAOYSA-N	-1	0	310.339	0.499	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)o1	ZINC000340943499	253325374	/nfs/dbraw/zinc/32/53/74/253325374.db2.gz	APIISBZBOGWUPX-UHFFFAOYSA-N	-1	0	321.314	0.883	20	30		DCEDRM
N#Cc1nc(NC(=O)CCNC(=O)Cc2ccccc2)[n-]c1C#N	ZINC000026267912	395694254	/nfs/dbraw/zinc/69/42/54/395694254.db2.gz	HPSKUHXAUJNGEY-UHFFFAOYSA-N	-1	0	322.328	0.841	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cc3c([nH]c2=O)CCCC3)[n-]c1C#N	ZINC000109428776	395798136	/nfs/dbraw/zinc/79/81/36/395798136.db2.gz	ZDVLIXCZNCZXTM-UHFFFAOYSA-N	-1	0	308.301	0.972	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)COc2ccc(C#N)cc2)n[n-]1	ZINC000064348035	395986286	/nfs/dbraw/zinc/98/62/86/395986286.db2.gz	LIWVUWJMMDYWLD-UHFFFAOYSA-N	-1	0	321.318	0.097	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000263196321	396206161	/nfs/dbraw/zinc/20/61/61/396206161.db2.gz	LWLNDUHXPOQOGF-UWVGGRQHSA-N	-1	0	309.347	0.685	20	30		DCEDRM
Cc1[nH]nc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1C#N	ZINC000288174422	396445961	/nfs/dbraw/zinc/44/59/61/396445961.db2.gz	PGGRVYRZAVSNSE-UHFFFAOYSA-N	-1	0	303.244	0.985	20	30		DCEDRM
CO[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000289467081	396460994	/nfs/dbraw/zinc/46/09/94/396460994.db2.gz	HBHIIVKWIROOOD-QWRGUYRKSA-N	-1	0	318.301	0.529	20	30		DCEDRM
CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000290744904	396471567	/nfs/dbraw/zinc/47/15/67/396471567.db2.gz	XOYJJFHHKMROLO-RYUDHWBXSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)C(=O)[O-]	ZINC000594530846	396485141	/nfs/dbraw/zinc/48/51/41/396485141.db2.gz	VSLQBCCKGYHQGN-JTQLQIEISA-N	-1	0	303.318	0.206	20	30		DCEDRM
C[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)C(=O)[O-]	ZINC000594539242	396485694	/nfs/dbraw/zinc/48/56/94/396485694.db2.gz	YMYJHFZQVUQKNK-LLVKDONJSA-N	-1	0	317.349	0.506	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](CCF)C(=O)[O-]	ZINC000594573962	396488179	/nfs/dbraw/zinc/48/81/79/396488179.db2.gz	RBINMXVJJJZGHE-SNVBAGLBSA-N	-1	0	300.311	0.958	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cnc(CC)s1)C(=O)[O-]	ZINC000541002608	396610327	/nfs/dbraw/zinc/61/03/27/396610327.db2.gz	OMVPFICVZUPUKW-QMMMGPOBSA-N	-1	0	302.377	0.850	20	30		DCEDRM
N#Cc1cccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])n1	ZINC000589845375	396726038	/nfs/dbraw/zinc/72/60/38/396726038.db2.gz	CKIHTIMLRDCEJG-UHFFFAOYSA-N	-1	0	318.314	0.559	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)CC1(C#N)CCOCC1	ZINC000595988325	396703854	/nfs/dbraw/zinc/70/38/54/396703854.db2.gz	HCFWFDDYIWGBRL-OAHLLOKOSA-N	-1	0	310.350	0.789	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000595988775	396703978	/nfs/dbraw/zinc/70/39/78/396703978.db2.gz	KARDTKXMQOIWHV-OAHLLOKOSA-N	-1	0	318.333	0.092	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000596024660	396709326	/nfs/dbraw/zinc/70/93/26/396709326.db2.gz	QRFQCICSECEPOW-NSHDSACASA-N	-1	0	303.384	0.557	20	30		DCEDRM
CO[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)[C@@](C)(C(=O)[O-])C1	ZINC000600655844	396906970	/nfs/dbraw/zinc/90/69/70/396906970.db2.gz	ANBZPDDIIBZSKX-JFGNBEQYSA-N	-1	0	319.383	0.029	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N[C@H](C(=O)[O-])C2CCOCC2)cc1	ZINC000597161233	396902717	/nfs/dbraw/zinc/90/27/17/396902717.db2.gz	KHDZZMWMLZTMOH-HNNXBMFYSA-N	-1	0	318.329	0.933	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c(F)c1	ZINC000591459082	396923939	/nfs/dbraw/zinc/92/39/39/396923939.db2.gz	FHIFYOYDZPNVJZ-NSHDSACASA-N	-1	0	319.292	0.247	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N2CCC(CC#N)CC2)CC[C@@H]1C(=O)[O-]	ZINC000600802950	396945116	/nfs/dbraw/zinc/94/51/16/396945116.db2.gz	VPCDBHFFFHRIBT-AAEUAGOBSA-N	-1	0	321.377	0.708	20	30		DCEDRM
CC[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@H](O)C(C)C	ZINC000600843087	396956652	/nfs/dbraw/zinc/95/66/52/396956652.db2.gz	WUVNVANUIMQKNU-WCQYABFASA-N	-1	0	322.365	0.122	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC000597546966	397008782	/nfs/dbraw/zinc/00/87/82/397008782.db2.gz	HQFUEWUHSLFDEH-LBPRGKRZSA-N	-1	0	313.310	0.117	20	30		DCEDRM
CC1(C)C[C@@]1(C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597671437	397053633	/nfs/dbraw/zinc/05/36/33/397053633.db2.gz	JYNBRWLVZWTVGM-ZDUSSCGKSA-N	-1	0	309.347	0.462	20	30		DCEDRM
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H]1C#N	ZINC000355453946	397154109	/nfs/dbraw/zinc/15/41/09/397154109.db2.gz	IXUJICCUXNJISJ-LBPRGKRZSA-N	-1	0	324.358	0.860	20	30		DCEDRM
C[C@H](NC(=O)C(=O)NCCCC(=O)[O-])c1ccc(C#N)cc1	ZINC000592440295	397179318	/nfs/dbraw/zinc/17/93/18/397179318.db2.gz	LXGNSUFMTGPBAY-JTQLQIEISA-N	-1	0	303.318	0.716	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1	ZINC000592426318	397172527	/nfs/dbraw/zinc/17/25/27/397172527.db2.gz	VASMGCJANYPABK-AWEZNQCLSA-N	-1	0	305.265	0.787	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O	ZINC000613072675	397187866	/nfs/dbraw/zinc/18/78/66/397187866.db2.gz	MPKSBXLSVWHLNV-UHFFFAOYSA-N	-1	0	305.319	0.490	20	30		DCEDRM
C[C@@H]1CCC[C@@H](C)N(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602106601	397301996	/nfs/dbraw/zinc/30/19/96/397301996.db2.gz	DNWOLNQWFMKMCX-GHMZBOCLSA-N	-1	0	304.350	0.858	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCC1(CC(=O)[O-])CCC1	ZINC000593257407	397341988	/nfs/dbraw/zinc/34/19/88/397341988.db2.gz	YOOCIWRJKCJIEA-SNVBAGLBSA-N	-1	0	303.384	0.700	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000593266585	397345521	/nfs/dbraw/zinc/34/55/21/397345521.db2.gz	NCLBOJLJCMIDJC-LLVKDONJSA-N	-1	0	317.411	0.899	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](CC1CCC1)C(=O)[O-]	ZINC000593272346	397346150	/nfs/dbraw/zinc/34/61/50/397346150.db2.gz	IDRVTIZEBFIACT-GXSJLCMTSA-N	-1	0	303.384	0.556	20	30		DCEDRM
C[C@@H](CSCCNS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000593274674	397347395	/nfs/dbraw/zinc/34/73/95/397347395.db2.gz	USXOPNVWMMDYKE-VHSXEESVSA-N	-1	0	323.440	0.509	20	30		DCEDRM
N#Cc1nccnc1N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC000593326759	397351249	/nfs/dbraw/zinc/35/12/49/397351249.db2.gz	JQXHZCHZQKVKFK-JTQLQIEISA-N	-1	0	315.333	0.250	20	30		DCEDRM
N#Cc1cccc(N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)n1	ZINC000593326858	397351482	/nfs/dbraw/zinc/35/14/82/397351482.db2.gz	KHGJYNFGYOHHPS-LLVKDONJSA-N	-1	0	314.345	0.855	20	30		DCEDRM
Cc1cccc2c1CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)CC2	ZINC000602145789	397321392	/nfs/dbraw/zinc/32/13/92/397321392.db2.gz	FNHOXAXKUBTJSE-UHFFFAOYSA-N	-1	0	324.340	0.714	20	30		DCEDRM
C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC000602147248	397322379	/nfs/dbraw/zinc/32/23/79/397322379.db2.gz	NNCVSBYAYGGKCM-SECBINFHSA-N	-1	0	308.363	0.175	20	30		DCEDRM
C[C@](CNC(=O)Cn1cnc(C#N)n1)(C(=O)[O-])c1ccccc1	ZINC000593921424	397480219	/nfs/dbraw/zinc/48/02/19/397480219.db2.gz	HWTDWFAWCBFRBM-OAHLLOKOSA-N	-1	0	313.317	0.308	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnn2c1C[C@@H](C)CC2)C(=O)[O-]	ZINC000578896230	397500719	/nfs/dbraw/zinc/50/07/19/397500719.db2.gz	WVBPOOQWZYWPTG-CMPLNLGQSA-N	-1	0	307.350	0.851	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCN(C)C(=O)OC(C)(C)C	ZINC000495622164	397549345	/nfs/dbraw/zinc/54/93/45/397549345.db2.gz	WOQJXJNYSKPBDW-UHFFFAOYSA-N	-1	0	306.384	0.875	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CC[C@H](OC)C[C@H]2C(=O)[O-])nn1	ZINC000579130654	397528842	/nfs/dbraw/zinc/52/88/42/397528842.db2.gz	QUWXXXKBPBIYBJ-JQWIXIFHSA-N	-1	0	308.338	0.558	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)CCc1cccs1)C(=O)[O-]	ZINC000579227260	397536516	/nfs/dbraw/zinc/53/65/16/397536516.db2.gz	XZZBKJQAWTWTEQ-NSHDSACASA-N	-1	0	319.404	0.866	20	30		DCEDRM
C[C@](O)(CNS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126080627	158262194	/nfs/dbraw/zinc/26/21/94/158262194.db2.gz	KIHSGSKHLHYWRQ-NSHDSACASA-N	-1	0	318.738	0.326	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1C#N	ZINC000270411778	292454256	/nfs/dbraw/zinc/45/42/56/292454256.db2.gz	CISMPGHBLQAELL-UHFFFAOYSA-N	-1	0	316.310	0.419	20	30		DCEDRM
C=CCOc1cccnc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1	ZINC000342384381	415159692	/nfs/dbraw/zinc/15/96/92/415159692.db2.gz	VWWOHGKYBRJMKE-UHFFFAOYSA-N	-1	0	323.334	0.420	20	30		DCEDRM
CN1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000342610393	415226763	/nfs/dbraw/zinc/22/67/63/415226763.db2.gz	WMOBKXQMYGCQJT-SECBINFHSA-N	-1	0	301.318	0.819	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1	ZINC000353981574	415708240	/nfs/dbraw/zinc/70/82/40/415708240.db2.gz	ASKDBTVGZDLEBX-UHFFFAOYSA-N	-1	0	319.346	0.349	20	30		DCEDRM
Cn1c2ccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cc2[nH]c1=O	ZINC000130794276	415922817	/nfs/dbraw/zinc/92/28/17/415922817.db2.gz	PEKQQMXCZQUBNC-UHFFFAOYSA-N	-1	0	307.273	0.585	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)n2ncnc2n1	ZINC000357375813	416070062	/nfs/dbraw/zinc/07/00/62/416070062.db2.gz	VZZANFGJCDLOID-UHFFFAOYSA-N	-1	0	304.291	0.698	20	30		DCEDRM
CC(C)(C)c1nc(=NC(=O)NCCNS(C)(=O)=O)s[n-]1	ZINC000330820476	416240387	/nfs/dbraw/zinc/24/03/87/416240387.db2.gz	QEODKJZMXHDQNV-UHFFFAOYSA-N	-1	0	321.428	0.133	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F	ZINC000185039299	416251904	/nfs/dbraw/zinc/25/19/04/416251904.db2.gz	CYTWSGASGCBBJB-UHFFFAOYSA-N	-1	0	313.281	0.920	20	30		DCEDRM
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)CCC#N)c1	ZINC000341971419	416259463	/nfs/dbraw/zinc/25/94/63/416259463.db2.gz	PFJZWMYJMSIKTP-UHFFFAOYSA-N	-1	0	311.363	0.628	20	30		DCEDRM
N#Cc1nc(NC(=O)CCc2ccccc2C(N)=O)[n-]c1C#N	ZINC000352237910	416308320	/nfs/dbraw/zinc/30/83/20/416308320.db2.gz	OPFBPKASZOZYKZ-UHFFFAOYSA-N	-1	0	308.301	0.823	20	30		DCEDRM
Cc1cc(N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc(C#N)n1	ZINC000416442695	416369850	/nfs/dbraw/zinc/36/98/50/416369850.db2.gz	GABCSOXNGJTBLD-KGLIPLIRSA-N	-1	0	316.361	0.806	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000422625059	416443129	/nfs/dbraw/zinc/44/31/29/416443129.db2.gz	FKNVJERHOJJRLN-SNVBAGLBSA-N	-1	0	306.318	0.624	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])ccc1F	ZINC000422663552	416446170	/nfs/dbraw/zinc/44/61/70/416446170.db2.gz	PVKIAPIOFZJSOC-LLVKDONJSA-N	-1	0	305.265	0.711	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1	ZINC000422677359	416447990	/nfs/dbraw/zinc/44/79/90/416447990.db2.gz	IMMGQTNYBBSSPJ-NSHDSACASA-N	-1	0	301.302	0.820	20	30		DCEDRM
C=CCn1cccc1C(=O)N=c1[n-]c(CS(C)(=O)=O)no1	ZINC000488951477	416564088	/nfs/dbraw/zinc/56/40/88/416564088.db2.gz	WPLZNHSLSCTCEG-UHFFFAOYSA-N	-1	0	310.335	0.276	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000491633079	416608875	/nfs/dbraw/zinc/60/88/75/416608875.db2.gz	SFFXXLBUNAFWBR-OLZOCXBDSA-N	-1	0	304.346	0.041	20	30		DCEDRM
COC[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)OC	ZINC000541904234	416617781	/nfs/dbraw/zinc/61/77/81/416617781.db2.gz	MFMWFTGPMOEJOZ-SNVBAGLBSA-N	-1	0	302.327	0.637	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)c(F)c1	ZINC000610105790	416654788	/nfs/dbraw/zinc/65/47/88/416654788.db2.gz	VPVYREFPXGMYAV-UHFFFAOYSA-N	-1	0	318.293	0.936	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000616102800	416963397	/nfs/dbraw/zinc/96/33/97/416963397.db2.gz	YZLMJSRJHPHKSE-SECBINFHSA-N	-1	0	314.363	0.097	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-]	ZINC000519536111	416909725	/nfs/dbraw/zinc/90/97/25/416909725.db2.gz	HYFIOESYUSVFQX-RHYQMDGZSA-N	-1	0	315.395	0.650	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(CCOC)CCC(=O)[O-]	ZINC000565056182	416918250	/nfs/dbraw/zinc/91/82/50/416918250.db2.gz	VELLYZQRUUKWGG-LLVKDONJSA-N	-1	0	321.399	0.136	20	30		DCEDRM
N#Cc1cnc(NCCN2c3ccccc3[N-]S2(=O)=O)cn1	ZINC000430520002	417039386	/nfs/dbraw/zinc/03/93/86/417039386.db2.gz	RKXRMQZJMCVAKH-UHFFFAOYSA-N	-1	0	316.346	0.937	20	30		DCEDRM
C=CCC[C@@H](NC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)[O-]	ZINC000567238515	417060850	/nfs/dbraw/zinc/06/08/50/417060850.db2.gz	OGEYMURKHIXRKS-NXEZZACHSA-N	-1	0	324.299	0.785	20	30		DCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N2CC[C@@](COC)(C(=O)[O-])C2)C1	ZINC000633069277	417341037	/nfs/dbraw/zinc/34/10/37/417341037.db2.gz	KPFGDFJMACLMGV-BLLLJJGKSA-N	-1	0	324.377	0.361	20	30		DCEDRM
CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000576231454	417592572	/nfs/dbraw/zinc/59/25/72/417592572.db2.gz	IAEKRZKWVHUQOG-JQWIXIFHSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000580557184	417712918	/nfs/dbraw/zinc/71/29/18/417712918.db2.gz	KKJZEPMYLAITEB-DCAQKATOSA-N	-1	0	305.400	0.800	20	30		DCEDRM
C=CCn1cc(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)nn1	ZINC000646163249	417791961	/nfs/dbraw/zinc/79/19/61/417791961.db2.gz	ZUUMQMAYRVIWQE-UHFFFAOYSA-N	-1	0	307.354	0.860	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-]	ZINC000663286421	418007209	/nfs/dbraw/zinc/00/72/09/418007209.db2.gz	CQNDACZTRJCSRW-NSHDSACASA-N	-1	0	303.380	0.848	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1Cc2cc(F)ccc2O1)C(=O)[O-]	ZINC000653658505	418099162	/nfs/dbraw/zinc/09/91/62/418099162.db2.gz	IZVVZCNRQFPAIQ-DGCLKSJQSA-N	-1	0	309.293	0.901	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCC1(OC)CCOCC1)C(=O)[O-]	ZINC000654802566	418190698	/nfs/dbraw/zinc/19/06/98/418190698.db2.gz	WMFABNVPEMSHKX-LLVKDONJSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCc2ncncc2C1)C(=O)[O-]	ZINC000649250926	418215296	/nfs/dbraw/zinc/21/52/96/418215296.db2.gz	CPFNPBMTEVFDME-ZWNOBZJWSA-N	-1	0	305.334	0.354	20	30		DCEDRM
C=CCC[C@H](NC(=O)NC[C@@H](OC)[C@H]1CCOC1)C(=O)[O-]	ZINC000656583522	418364934	/nfs/dbraw/zinc/36/49/34/418364934.db2.gz	DJRYOJWWRFTGFU-SDDRHHMPSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(C#N)s2)C1	ZINC000230326980	261153677	/nfs/dbraw/zinc/15/36/77/261153677.db2.gz	NRMDAUXNAMVTKW-ZETCQYMHSA-N	-1	0	300.361	0.961	20	30		DCEDRM
C[C@@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)n1cnc(C#N)n1	ZINC000355818885	261370000	/nfs/dbraw/zinc/37/00/00/261370000.db2.gz	KLCGERVFCOHARS-QMMMGPOBSA-N	-1	0	324.304	0.840	20	30		DCEDRM
Cn1nncc1S(=O)(=O)[N-]C(=O)/C=C\c1cccc(C#N)c1	ZINC000492701727	272143019	/nfs/dbraw/zinc/14/30/19/272143019.db2.gz	GVGVDZBXTUMTTM-WAYWQWQTSA-N	-1	0	317.330	0.205	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000536900312	287862371	/nfs/dbraw/zinc/86/23/71/287862371.db2.gz	LMXLGIHXKUFRPR-UHFFFAOYSA-N	-1	0	319.302	0.413	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000092463919	277842944	/nfs/dbraw/zinc/84/29/44/277842944.db2.gz	KFXJDDBLPJHJPH-UHFFFAOYSA-N	-1	0	314.319	0.997	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000129468921	303207285	/nfs/dbraw/zinc/20/72/85/303207285.db2.gz	QXMJWPSSINZCLQ-LLVKDONJSA-N	-1	0	310.331	0.422	20	30		DCEDRM
COC(=O)[C@@]1([N-]S(=O)(=O)CCC(C)(C)C#N)CCOC1	ZINC000574963143	332896271	/nfs/dbraw/zinc/89/62/71/332896271.db2.gz	ZVTNHWMUUMROLZ-GFCCVEGCSA-N	-1	0	304.368	0.178	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC000518383435	332022738	/nfs/dbraw/zinc/02/27/38/332022738.db2.gz	KSOYHPGPUZGFDI-CMPLNLGQSA-N	-1	0	303.384	0.509	20	30		DCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1COCCO1	ZINC000048518440	332303893	/nfs/dbraw/zinc/30/38/93/332303893.db2.gz	ZGFHJBWKQYJJGS-VIFPVBQESA-N	-1	0	303.340	0.098	20	30		DCEDRM
N#CCCCS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000563148051	333397020	/nfs/dbraw/zinc/39/70/20/333397020.db2.gz	KSBGJBQCKPKTLZ-UHFFFAOYSA-N	-1	0	304.368	0.576	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)OC	ZINC000436534115	338275830	/nfs/dbraw/zinc/27/58/30/338275830.db2.gz	KSGPSZUVLHTRAV-NSHDSACASA-N	-1	0	324.289	0.774	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000491660138	339871659	/nfs/dbraw/zinc/87/16/59/339871659.db2.gz	NPAQBACEBUUBGO-CHWSQXEVSA-N	-1	0	304.346	0.041	20	30		DCEDRM
Cc1c(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cnn1C	ZINC000492624726	339905544	/nfs/dbraw/zinc/90/55/44/339905544.db2.gz	TVPCXEVPZJNFLS-PLNGDYQASA-N	-1	0	322.390	0.882	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000496289577	340002274	/nfs/dbraw/zinc/00/22/74/340002274.db2.gz	BHBFJORYXLZXGF-SNVBAGLBSA-N	-1	0	318.395	0.617	20	30		DCEDRM
C=CCOc1cccc(NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)c1	ZINC000073049469	341112571	/nfs/dbraw/zinc/11/25/71/341112571.db2.gz	DMHQPAXXURWOLG-UHFFFAOYSA-N	-1	0	302.290	0.875	20	30		DCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(CCC#N)CCOC	ZINC000566311311	341553741	/nfs/dbraw/zinc/55/37/41/341553741.db2.gz	FZJXLFJMDKRSLX-NSHDSACASA-N	-1	0	319.383	0.102	20	30		DCEDRM
COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)s1	ZINC000575739379	341801802	/nfs/dbraw/zinc/80/18/02/341801802.db2.gz	OAEUVXIZDHNWLZ-UHFFFAOYSA-N	-1	0	318.376	0.732	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)CC(=O)[N-]OCc2ccccc2)C1=O	ZINC000281231041	526468588	/nfs/dbraw/zinc/46/85/88/526468588.db2.gz	FKKBQJMNGISIHA-OAHLLOKOSA-N	-1	0	317.389	0.953	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)[O-]	ZINC000262935733	526788360	/nfs/dbraw/zinc/78/83/60/526788360.db2.gz	HIHIVRGDXKHQPY-VHSXEESVSA-N	-1	0	300.355	0.309	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)[O-]	ZINC000262954236	526804439	/nfs/dbraw/zinc/80/44/39/526804439.db2.gz	ISRCPGGDZPZFFN-NSHDSACASA-N	-1	0	319.317	0.102	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCC)C(=O)[O-]	ZINC000262894762	526805583	/nfs/dbraw/zinc/80/55/83/526805583.db2.gz	DGTQXSYPAJQDAO-RYUDHWBXSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)C(=O)[O-]	ZINC000262979473	526808371	/nfs/dbraw/zinc/80/83/71/526808371.db2.gz	KNVOPXANLLFROT-NSHDSACASA-N	-1	0	319.317	0.252	20	30		DCEDRM
C=CCOc1ccc(C(=O)NCc2cn(CC(=O)[O-])nn2)cc1	ZINC000322057517	526848567	/nfs/dbraw/zinc/84/85/67/526848567.db2.gz	LHMXYEKLOUMQEB-UHFFFAOYSA-N	-1	0	316.317	0.858	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC	ZINC000280979814	526881097	/nfs/dbraw/zinc/88/10/97/526881097.db2.gz	JZIQAHYMOKQOEQ-UHFFFAOYSA-N	-1	0	322.342	0.470	20	30		DCEDRM
C=CCC[C@H](NC(=O)c1nc2nc(C)cc(C)n2n1)C(=O)[O-]	ZINC000263032223	527482997	/nfs/dbraw/zinc/48/29/97/527482997.db2.gz	ZARJESVEXWDNMC-JTQLQIEISA-N	-1	0	303.322	0.890	20	30		DCEDRM
C=CCN(C(=O)CCCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000263285528	527532692	/nfs/dbraw/zinc/53/26/92/527532692.db2.gz	KORPZPYZVJOXHZ-NSHDSACASA-N	-1	0	303.380	0.833	20	30		DCEDRM
C=CCN(C(=O)CC1(C(=O)[O-])CCC1)[C@H]1CCS(=O)(=O)C1	ZINC000262523596	527533479	/nfs/dbraw/zinc/53/34/79/527533479.db2.gz	OEIGOVNAJOZDCE-NSHDSACASA-N	-1	0	315.391	0.833	20	30		DCEDRM
C=CCCc1ccccc1NC(=O)C(=O)NCc1nnn[n-]1	ZINC000669738840	547011839	/nfs/dbraw/zinc/01/18/39/547011839.db2.gz	AONPPLNFKSDGMC-UHFFFAOYSA-N	-1	0	300.322	0.573	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)C1Cc2ccccc2C1)C(=O)[O-]	ZINC000681578446	548266058	/nfs/dbraw/zinc/26/60/58/548266058.db2.gz	CUJLVANGTHESHN-CQSZACIVSA-N	-1	0	307.371	0.940	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H](C)C1CCOCC1)C(=O)[O-]	ZINC000684735452	548643901	/nfs/dbraw/zinc/64/39/01/548643901.db2.gz	MMKUEHCFXBOBQN-PWSUYJOCSA-N	-1	0	300.355	0.757	20	30		DCEDRM
N#C[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCO1	ZINC000737681287	598967349	/nfs/dbraw/zinc/96/73/49/598967349.db2.gz	BGNXIXYWOCBYIG-VIFPVBQESA-N	-1	0	308.305	0.539	20	30		DCEDRM
C#CCN(C(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000736077346	599738717	/nfs/dbraw/zinc/73/87/17/599738717.db2.gz	QSNVPBBMXCINCT-CYBMUJFWSA-N	-1	0	321.354	0.647	20	30		DCEDRM
N#Cc1ccc(C(F)(F)F)nc1-n1cnc(-c2nnn[n-]2)n1	ZINC000737713519	599040110	/nfs/dbraw/zinc/04/01/10/599040110.db2.gz	YJKOHCFEPVMYOF-UHFFFAOYSA-N	-1	0	307.199	0.733	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2nn[nH]n2)nc1	ZINC000737673948	599152397	/nfs/dbraw/zinc/15/23/97/599152397.db2.gz	SRYCAQKBSKBKKU-SNVBAGLBSA-N	-1	0	311.305	0.207	20	30		DCEDRM
C#CCN(CC#C)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000817668724	596929108	/nfs/dbraw/zinc/92/91/08/596929108.db2.gz	VXUVTVPEZSUYQS-OAHLLOKOSA-N	-1	0	309.325	0.801	20	30		DCEDRM
C#CCNC(=O)c1ccccc1NC(=O)CSCC(=O)[O-]	ZINC000738462892	597088626	/nfs/dbraw/zinc/08/86/26/597088626.db2.gz	DZFCEYDFTBDADW-UHFFFAOYSA-N	-1	0	306.343	0.806	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)NCCCCCC(=O)[O-])CC1	ZINC000817675336	597235405	/nfs/dbraw/zinc/23/54/05/597235405.db2.gz	OZRQINBCCQVBJI-UHFFFAOYSA-N	-1	0	323.393	0.802	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC000819841634	597633604	/nfs/dbraw/zinc/63/36/04/597633604.db2.gz	BWSBSEOQXCZLPF-AWEZNQCLSA-N	-1	0	301.306	0.486	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1n[nH]c(-c2ccccn2)n1	ZINC000819866060	597635014	/nfs/dbraw/zinc/63/50/14/597635014.db2.gz	QUIFXMYIJYGAOD-CYBMUJFWSA-N	-1	0	300.278	0.810	20	30		DCEDRM
Cn1ccnc1N1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000821304691	597648738	/nfs/dbraw/zinc/64/87/38/597648738.db2.gz	BWGGBLUXFPZONM-CQSZACIVSA-N	-1	0	305.338	0.073	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1ccc(C#N)s1)[C@H](C)C(=O)[O-]	ZINC000819758215	597697048	/nfs/dbraw/zinc/69/70/48/597697048.db2.gz	QLGSNSVVNCATGG-MRVPVSSYSA-N	-1	0	309.347	0.671	20	30		DCEDRM
CC(C)N(CC(=O)[O-])C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000766950384	598074306	/nfs/dbraw/zinc/07/43/06/598074306.db2.gz	IROLIVADWWALRK-YPKPFQOOSA-N	-1	0	309.322	0.225	20	30		DCEDRM
NS(=O)(=O)c1ccc(N=NC2CCC(C(=O)[O-])CC2)nc1	ZINC000814798570	598096596	/nfs/dbraw/zinc/09/65/96/598096596.db2.gz	MLKWLLXVWURBRE-UHFFFAOYSA-N	-1	0	312.351	0.772	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1	ZINC000819824493	598228302	/nfs/dbraw/zinc/22/83/02/598228302.db2.gz	YMKCLPRYQUJNSW-GIPNMCIBSA-N	-1	0	316.379	0.463	20	30		DCEDRM
C[C@H]1CC[C@@H](CCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)O1	ZINC000820690003	599313777	/nfs/dbraw/zinc/31/37/77/599313777.db2.gz	FDBMOWSIVUGKHK-YUMQZZPRSA-N	-1	0	316.325	0.748	20	30		DCEDRM
N#CCN1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC1	ZINC000738426951	599702538	/nfs/dbraw/zinc/70/25/38/599702538.db2.gz	VNYICJRTKPBHHK-UHFFFAOYSA-N	-1	0	308.382	0.871	20	30		DCEDRM
N#Cc1cccnc1N1CCN(C(=O)CCCNC(=O)[O-])CC1	ZINC000739141943	599742841	/nfs/dbraw/zinc/74/28/41/599742841.db2.gz	GDDPMDJXFBETOO-UHFFFAOYSA-N	-1	0	317.349	0.650	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000071228133	599778503	/nfs/dbraw/zinc/77/85/03/599778503.db2.gz	QZDRMXSPNAISRS-UHFFFAOYSA-N	-1	0	302.308	0.529	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NCCOc2ccc(C(=O)[O-])cc2)CCO1	ZINC000739069929	599961610	/nfs/dbraw/zinc/96/16/10/599961610.db2.gz	VDSKGSYONLOMAI-CYBMUJFWSA-N	-1	0	319.317	0.698	20	30		DCEDRM
N#Cc1ccc(N2CC[C@H](N3CCO[C@H](C(=O)[O-])C3)C2=O)cc1	ZINC000738431893	599971767	/nfs/dbraw/zinc/97/17/67/599971767.db2.gz	ANQNVUAGVGTKAN-KBPBESRZSA-N	-1	0	315.329	0.449	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(NC(=O)[O-])c2)CCO1	ZINC000739065923	599998395	/nfs/dbraw/zinc/99/83/95/599998395.db2.gz	FEURHMDVFRUJSL-LLVKDONJSA-N	-1	0	318.289	0.466	20	30		DCEDRM
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000736868735	600400809	/nfs/dbraw/zinc/40/08/09/600400809.db2.gz	LIOSLVKNBVNOGJ-VXGBXAGGSA-N	-1	0	309.366	0.708	20	30		DCEDRM
CC(=O)N[C@@H](CC(=O)N(CC#N)CC(=O)[O-])c1cccs1	ZINC000736145433	600406361	/nfs/dbraw/zinc/40/63/61/600406361.db2.gz	PJZROMWORCJABE-JTQLQIEISA-N	-1	0	309.347	0.752	20	30		DCEDRM
CN1N=C(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)CCC1=O	ZINC000737529427	600608214	/nfs/dbraw/zinc/60/82/14/600608214.db2.gz	JAYPAQPLKPPKBS-ZDUSSCGKSA-N	-1	0	315.285	0.835	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)CN2CCCNC2=O)C(=O)[O-])cc1	ZINC000739110914	600611333	/nfs/dbraw/zinc/61/13/33/600611333.db2.gz	SFSGEISJXAJKCD-ZDUSSCGKSA-N	-1	0	317.301	0.642	20	30		DCEDRM
COC(=O)NCCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737637884	600617664	/nfs/dbraw/zinc/61/76/64/600617664.db2.gz	KQYZPGOSAHTPFY-LBPRGKRZSA-N	-1	0	306.274	0.973	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)N(CC#N)CC(=O)[O-])cs1	ZINC000831338069	600754715	/nfs/dbraw/zinc/75/47/15/600754715.db2.gz	RPHYVLHNBBEECB-UHFFFAOYSA-N	-1	0	318.332	0.134	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000833062695	600773117	/nfs/dbraw/zinc/77/31/17/600773117.db2.gz	OPUHSKXPKRKZFU-LBPRGKRZSA-N	-1	0	310.331	0.439	20	30		DCEDRM
C=CCNC(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC000825687804	600863078	/nfs/dbraw/zinc/86/30/78/600863078.db2.gz	XWQOWTYWPOHTEL-UHFFFAOYSA-N	-1	0	308.290	0.643	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000825625623	600898384	/nfs/dbraw/zinc/89/83/84/600898384.db2.gz	JOWIMVXOKYSHOA-SECBINFHSA-N	-1	0	322.292	0.613	20	30		DCEDRM
N#CCN(CCC(=O)N1CCc2sccc2C1)CC(=O)[O-]	ZINC000833067554	601005292	/nfs/dbraw/zinc/00/52/92/601005292.db2.gz	WWTWXLNTHUXPSG-UHFFFAOYSA-N	-1	0	307.375	0.933	20	30		DCEDRM
C[C@](C#N)(NC(=O)CN1CCSC[C@@H]1CC(=O)[O-])C1CC1	ZINC000825967222	601015249	/nfs/dbraw/zinc/01/52/49/601015249.db2.gz	ROJFUEBROFOBIS-SMDDNHRTSA-N	-1	0	311.407	0.687	20	30		DCEDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)CCC#N	ZINC000826807121	601120032	/nfs/dbraw/zinc/12/00/32/601120032.db2.gz	MYGLUBACWCWNKH-QWRGUYRKSA-N	-1	0	313.354	0.972	20	30		DCEDRM
Cc1oc(S(=O)(=O)N2CCOC[C@@H]2C#N)cc1C(=O)[O-]	ZINC000833027719	601223396	/nfs/dbraw/zinc/22/33/96/601223396.db2.gz	AFQQKLITIZQKBP-QMMMGPOBSA-N	-1	0	300.292	0.199	20	30		DCEDRM
N#CCN(CC#N)S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC000208346947	601232093	/nfs/dbraw/zinc/23/20/93/601232093.db2.gz	HOPWDTKIOPYBKD-UTCJRWHESA-N	-1	0	305.315	0.822	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000833040389	601268410	/nfs/dbraw/zinc/26/84/10/601268410.db2.gz	FDJKBVOIVFGMJC-GFCCVEGCSA-N	-1	0	305.334	0.993	20	30		DCEDRM
C[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000738219959	601270055	/nfs/dbraw/zinc/27/00/55/601270055.db2.gz	JQMJWWYEIOYSCY-NSHDSACASA-N	-1	0	319.317	0.738	20	30		DCEDRM
N#C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccc(F)cc1	ZINC000833065090	601274335	/nfs/dbraw/zinc/27/43/35/601274335.db2.gz	RMSHEKNKZLRBGU-SNVBAGLBSA-N	-1	0	303.253	0.496	20	30		DCEDRM
C[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)S(C)(=O)=O	ZINC000826061171	601349006	/nfs/dbraw/zinc/34/90/06/601349006.db2.gz	CFEGPOXWLXRSFG-LDYMZIIASA-N	-1	0	311.315	0.660	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)[C@@H]2CCC(=O)NC2)C(=O)[O-])c1	ZINC000833075338	601349737	/nfs/dbraw/zinc/34/97/37/601349737.db2.gz	KGZYBAUJYHIFEH-YPMHNXCESA-N	-1	0	302.286	0.753	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)c1	ZINC000833068021	601448789	/nfs/dbraw/zinc/44/87/89/601448789.db2.gz	LHNFKOFRJRIGPU-UHFFFAOYSA-N	-1	0	312.285	0.953	20	30		DCEDRM
N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000061890173	601476729	/nfs/dbraw/zinc/47/67/29/601476729.db2.gz	PCGLTLOFMQYXQP-QWRGUYRKSA-N	-1	0	301.368	0.310	20	30		DCEDRM
COC(=O)c1cc(NC(=O)CN(C)CCC#N)cc(C(=O)[O-])c1	ZINC000831269927	601561820	/nfs/dbraw/zinc/56/18/20/601561820.db2.gz	RQBCCQVTNZYGTJ-UHFFFAOYSA-N	-1	0	319.317	0.955	20	30		DCEDRM
N#CCN1CCC(CNC(=O)c2ccnc(C(=O)[O-])c2)CC1	ZINC000833067729	601677043	/nfs/dbraw/zinc/67/70/43/601677043.db2.gz	ZJHDSBSMQXIANE-UHFFFAOYSA-N	-1	0	302.334	0.745	20	30		DCEDRM
O=C([O-])C[C@H]1CN(C(=O)NCC#Cc2ccccc2)CCO1	ZINC000833218712	601764780	/nfs/dbraw/zinc/76/47/80/601764780.db2.gz	ZQVUTSJXQZVVGY-AWEZNQCLSA-N	-1	0	302.330	0.923	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)NCCNc2ncccc2C#N)C1	ZINC000828002988	602064051	/nfs/dbraw/zinc/06/40/51/602064051.db2.gz	SRLIJEAWFWBBHD-OAHLLOKOSA-N	-1	0	317.349	0.871	20	30		DCEDRM
Cn1cc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1C(=O)[O-]	ZINC000833049549	602360046	/nfs/dbraw/zinc/36/00/46/602360046.db2.gz	VVELUDZWFQTRPV-GFCCVEGCSA-N	-1	0	317.349	0.927	20	30		DCEDRM
N#CCN1CCC(NC(=O)c2ccc(CNC(=O)[O-])o2)CC1	ZINC000831102292	602882504	/nfs/dbraw/zinc/88/25/04/602882504.db2.gz	FXMCLIYTOCSKSC-UHFFFAOYSA-N	-1	0	306.322	0.765	20	30		DCEDRM
CN(C[C@@H]1CCCN1S(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000828229268	603151815	/nfs/dbraw/zinc/15/18/15/603151815.db2.gz	AUQBIFKYAXSREK-JTQLQIEISA-N	-1	0	304.372	0.151	20	30		DCEDRM
C[C@H](CCNc1ccc(S(N)(=O)=O)cc1C#N)NC(=O)[O-]	ZINC000824802936	603182119	/nfs/dbraw/zinc/18/21/19/603182119.db2.gz	OVVYZQFXVMUJEA-MRVPVSSYSA-N	-1	0	312.351	0.664	20	30		DCEDRM
C#CCNC(=O)c1ccc(N[C@@H]2CCCN(C(=O)[O-])C2)nc1	ZINC000736076408	603232351	/nfs/dbraw/zinc/23/23/51/603232351.db2.gz	NUKCKQCLACWYLU-GFCCVEGCSA-N	-1	0	302.334	0.999	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)CCO1	ZINC000738423657	603412286	/nfs/dbraw/zinc/41/22/86/603412286.db2.gz	UKMLTTMHSSOPJL-LLVKDONJSA-N	-1	0	318.289	0.466	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)c1N	ZINC000831161903	603436166	/nfs/dbraw/zinc/43/61/66/603436166.db2.gz	PMMVEOUPGSDMKH-ONGXEEELSA-N	-1	0	321.337	0.707	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)NCC(C)(C)NC(=O)[O-])CC1	ZINC000823456717	603443289	/nfs/dbraw/zinc/44/32/89/603443289.db2.gz	PWTUNTKKNYPQNN-UHFFFAOYSA-N	-1	0	324.381	0.204	20	30		DCEDRM
CC(C)(C(=O)N1CCC(C#N)CC1)N1CCN(C(=O)[O-])CC1	ZINC000823738319	603707609	/nfs/dbraw/zinc/70/76/09/603707609.db2.gz	VPPOVCNWEYMJSH-UHFFFAOYSA-N	-1	0	308.382	0.823	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CCS(=O)(=O)c1ccccc1	ZINC000831091587	603729932	/nfs/dbraw/zinc/72/99/32/603729932.db2.gz	IGZRXFNLMLUTEI-LBPRGKRZSA-N	-1	0	323.374	0.648	20	30		DCEDRM
CN(C(=O)[O-])[C@@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000827875805	603843888	/nfs/dbraw/zinc/84/38/88/603843888.db2.gz	ILNHQUHKHCGHTF-CHWSQXEVSA-N	-1	0	302.334	0.769	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCN1C1CC1	ZINC000831075748	603892757	/nfs/dbraw/zinc/89/27/57/603892757.db2.gz	CTEBYEPFRYRZLT-FZMZJTMJSA-N	-1	0	310.329	0.277	20	30		DCEDRM
CC(C)(C)CCS(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000823766022	603915327	/nfs/dbraw/zinc/91/53/27/603915327.db2.gz	DOKJGBUHNHCCNO-SNVBAGLBSA-N	-1	0	303.384	0.940	20	30		DCEDRM
CC1CC(C#N)(C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)C1	ZINC000825777962	603956126	/nfs/dbraw/zinc/95/61/26/603956126.db2.gz	GJZFXKFNFWKDAL-UHFFFAOYSA-N	-1	0	322.365	0.207	20	30		DCEDRM
CCN(CCC#N)C(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000827112076	603977355	/nfs/dbraw/zinc/97/73/55/603977355.db2.gz	VRVWPFWKHUVSPO-OLZOCXBDSA-N	-1	0	308.382	0.965	20	30		DCEDRM
CC(C)(C(=O)N[C@H]1CCC[C@@H]1C#N)N1CCN(C(=O)[O-])CC1	ZINC000823737376	604028761	/nfs/dbraw/zinc/02/87/61/604028761.db2.gz	GNGZTWMQCRRFHU-NEPJUHHUSA-N	-1	0	308.382	0.869	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1	ZINC000825274041	604041320	/nfs/dbraw/zinc/04/13/20/604041320.db2.gz	SAIOCHKNWDIQLQ-GHMZBOCLSA-N	-1	0	318.399	0.445	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1	ZINC000825274044	604041509	/nfs/dbraw/zinc/04/15/09/604041509.db2.gz	SAIOCHKNWDIQLQ-QWRGUYRKSA-N	-1	0	318.399	0.445	20	30		DCEDRM
CN(C(=O)COC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)C(C)(C)C#N	ZINC000827774870	604044273	/nfs/dbraw/zinc/04/42/73/604044273.db2.gz	NQDSWWYVTMEMDT-UWVGGRQHSA-N	-1	0	311.338	0.726	20	30		DCEDRM
CN(CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)c1ccccc1	ZINC000828095189	604072177	/nfs/dbraw/zinc/07/21/77/604072177.db2.gz	BASRNBODTVRBMY-CYBMUJFWSA-N	-1	0	302.334	0.837	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CN2CCC[C@@H]2CNC(=O)[O-])c1	ZINC000831146795	604072355	/nfs/dbraw/zinc/07/23/55/604072355.db2.gz	ZCKDLCZAZRBJMR-CQSZACIVSA-N	-1	0	316.361	0.906	20	30		DCEDRM
C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825612087	604079062	/nfs/dbraw/zinc/07/90/62/604079062.db2.gz	QIGNVGARGHXJDR-SRVKXCTJSA-N	-1	0	311.338	0.285	20	30		DCEDRM
COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000828950431	604219242	/nfs/dbraw/zinc/21/92/42/604219242.db2.gz	IPXSRZFFUUQBAB-GMTAPVOTSA-N	-1	0	311.338	0.284	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000824887749	604242045	/nfs/dbraw/zinc/24/20/45/604242045.db2.gz	CPKMLVHRGCCFMK-HZMBPMFUSA-N	-1	0	313.354	0.830	20	30		DCEDRM
N#Cc1ncn(CC(=O)N(CCC(=O)[O-])Cc2ccccc2)n1	ZINC000833079461	604294045	/nfs/dbraw/zinc/29/40/45/604294045.db2.gz	WBZJLQVVNKIJTN-UHFFFAOYSA-N	-1	0	313.317	0.653	20	30		DCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC000736379570	604382074	/nfs/dbraw/zinc/38/20/74/604382074.db2.gz	DQCBOIKSTOFPFG-SMDDNHRTSA-N	-1	0	311.338	0.630	20	30		DCEDRM
C#CCCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	ZINC000833364743	604518097	/nfs/dbraw/zinc/51/80/97/604518097.db2.gz	CAWWGKIIPQJDBO-HNNXBMFYSA-N	-1	0	316.357	0.864	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2ccccc2C(=O)[O-])CC1	ZINC000833376784	604522483	/nfs/dbraw/zinc/52/24/83/604522483.db2.gz	BYPXOCRGVAFWCT-UHFFFAOYSA-N	-1	0	317.389	0.805	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000832849308	604547232	/nfs/dbraw/zinc/54/72/32/604547232.db2.gz	CAXIGCWNXLNTGQ-OAHLLOKOSA-N	-1	0	319.292	0.830	20	30		DCEDRM
C[C@@H]1CS(=O)(=O)CCN1Cc1cccc(C(=O)[O-])c1C#N	ZINC000833631029	604610205	/nfs/dbraw/zinc/61/02/05/604610205.db2.gz	FCEOBXCAYXLXHI-SNVBAGLBSA-N	-1	0	308.359	0.875	20	30		DCEDRM
C=CCN1C(=O)C(=O)N(CC(=O)c2cccc(C(=O)[O-])c2)C1=O	ZINC000833377164	604670224	/nfs/dbraw/zinc/67/02/24/604670224.db2.gz	OSADQQFKOKJCNC-UHFFFAOYSA-N	-1	0	316.269	0.544	20	30		DCEDRM
C#CCNC(=S)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000833365102	604676243	/nfs/dbraw/zinc/67/62/43/604676243.db2.gz	BRBFMXYOACAQOU-VIFPVBQESA-N	-1	0	323.399	0.649	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000824054749	604802213	/nfs/dbraw/zinc/80/22/13/604802213.db2.gz	CAPKUMSWWYBPIF-STQMWFEESA-N	-1	0	324.381	0.058	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000831102663	604821900	/nfs/dbraw/zinc/82/19/00/604821900.db2.gz	QDSSWHDBKBPMGG-ZDUSSCGKSA-N	-1	0	319.317	0.584	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)c1cnccc1C(=O)[O-])C1CC1	ZINC000825967053	604871032	/nfs/dbraw/zinc/87/10/32/604871032.db2.gz	QSFFWGXBKBDEEA-HNNXBMFYSA-N	-1	0	317.301	0.745	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2C)CC1	ZINC000107885828	604954833	/nfs/dbraw/zinc/95/48/33/604954833.db2.gz	OEPSCHPVRZPCGU-UHFFFAOYSA-N	-1	0	322.386	0.633	20	30		DCEDRM
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCC(=O)[O-])n1	ZINC000819932688	605027840	/nfs/dbraw/zinc/02/78/40/605027840.db2.gz	VPOGEIOGMCVBLV-UHFFFAOYSA-N	-1	0	307.310	0.039	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833369772	605059592	/nfs/dbraw/zinc/05/95/92/605059592.db2.gz	DZHXTTGRWYNGPM-SSDOTTSWSA-N	-1	0	306.365	0.304	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000833371549	605060900	/nfs/dbraw/zinc/06/09/00/605060900.db2.gz	UTCBGDKQNPYHGD-VIFPVBQESA-N	-1	0	303.336	0.749	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000833371134	605093311	/nfs/dbraw/zinc/09/33/11/605093311.db2.gz	PDEFGOZTGPQGLA-VIFPVBQESA-N	-1	0	324.308	0.763	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000833371791	605093380	/nfs/dbraw/zinc/09/33/80/605093380.db2.gz	WIJOBKQPHIFKJK-LLVKDONJSA-N	-1	0	320.345	0.933	20	30		DCEDRM
C=CCNC(=O)CNC(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000393832736	605209812	/nfs/dbraw/zinc/20/98/12/605209812.db2.gz	FYMUKQBLCLQWQN-UHFFFAOYSA-N	-1	0	305.334	0.529	20	30		DCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823506339	605346007	/nfs/dbraw/zinc/34/60/07/605346007.db2.gz	GTUZARHJCKPBGF-UWVGGRQHSA-N	-1	0	311.363	0.483	20	30		DCEDRM
N#CCCn1ccc(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)n1	ZINC000831097831	605350674	/nfs/dbraw/zinc/35/06/74/605350674.db2.gz	VPLNQPILKDKZBG-NSHDSACASA-N	-1	0	321.337	0.894	20	30		DCEDRM
COCCN(CCC#N)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000828979623	605361317	/nfs/dbraw/zinc/36/13/17/605361317.db2.gz	JYVAZMXWPNYDDM-LBPRGKRZSA-N	-1	0	313.354	0.534	20	30		DCEDRM
O=C([O-])NCC(=O)NCC(=O)OCC#Cc1cccc(Cl)c1	ZINC000834199081	605384532	/nfs/dbraw/zinc/38/45/32/605384532.db2.gz	QQOQKYPOQUUENB-UHFFFAOYSA-N	-1	0	324.720	0.619	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000833366186	605498264	/nfs/dbraw/zinc/49/82/64/605498264.db2.gz	KRAUTKXIGLXIQZ-UHFFFAOYSA-N	-1	0	304.302	0.398	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000833366182	605498386	/nfs/dbraw/zinc/49/83/86/605498386.db2.gz	KPKABWPJWMYSAQ-UHFFFAOYSA-N	-1	0	304.302	0.018	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)C[C@@H](NC(=O)[O-])C2CC2)nc1	ZINC000833974526	605629922	/nfs/dbraw/zinc/62/99/22/605629922.db2.gz	JDMIRQDKFHZJAQ-GFCCVEGCSA-N	-1	0	317.349	0.918	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CCCN(C(=O)[O-])C2)cn1	ZINC000739129780	605631269	/nfs/dbraw/zinc/63/12/69/605631269.db2.gz	DLSFCMMRSLEQCI-JTQLQIEISA-N	-1	0	310.335	0.374	20	30		DCEDRM
N#Cc1cccc([C@@H]2CN(C(=O)NCCNC(=O)[O-])CCO2)c1	ZINC000833978329	605649516	/nfs/dbraw/zinc/64/95/16/605649516.db2.gz	JBCQRHLEZNHSQW-ZDUSSCGKSA-N	-1	0	318.333	0.909	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)cc1	ZINC000833973314	605767838	/nfs/dbraw/zinc/76/78/38/605767838.db2.gz	NBVAEYMCTIHKJZ-OLZOCXBDSA-N	-1	0	318.285	0.456	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@@H](NC(=O)[O-])C2)cc1	ZINC000833972880	605835620	/nfs/dbraw/zinc/83/56/20/605835620.db2.gz	IFJISHARLYVNGP-CHWSQXEVSA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@H](CNC(=O)[O-])C2CC2)cc1	ZINC000833972604	605837974	/nfs/dbraw/zinc/83/79/74/605837974.db2.gz	FMEWRVDRZOIQDD-OLZOCXBDSA-N	-1	0	303.318	0.754	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C[C@@H]1CSCCS1	ZINC000833967085	605880035	/nfs/dbraw/zinc/88/00/35/605880035.db2.gz	PPTYEMDVHGMVCR-NXEZZACHSA-N	-1	0	315.420	0.939	20	30		DCEDRM
N#C[C@H]1CSCCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000833966844	605973280	/nfs/dbraw/zinc/97/32/80/605973280.db2.gz	OSLJSKNGYMBQKR-QWRGUYRKSA-N	-1	0	313.379	0.613	20	30		DCEDRM
Cn1ncc2c1ncn(N=C[C@@H]1CCCN(C(=O)[O-])C1)c2=O	ZINC000833962198	606051118	/nfs/dbraw/zinc/05/11/18/606051118.db2.gz	PPQJEOGUNXRLMF-VIFPVBQESA-N	-1	0	304.310	0.354	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CC23CCOCC3)[n-]c1-c1nn[nH]n1	ZINC000822815364	606378958	/nfs/dbraw/zinc/37/89/58/606378958.db2.gz	PTWYSTLPPDEJDP-ZETCQYMHSA-N	-1	0	314.309	0.217	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(-c2nn[nH]n2)cs1	ZINC000821691297	606461712	/nfs/dbraw/zinc/46/17/12/606461712.db2.gz	PEJUZVREOLCDRO-QMMMGPOBSA-N	-1	0	320.334	0.013	20	30		DCEDRM
Cc1nc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c(C)s1	ZINC000826323937	607780293	/nfs/dbraw/zinc/78/02/93/607780293.db2.gz	YLNVAJROYCIASL-UHFFFAOYSA-N	-1	0	315.322	0.787	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2ccnc(N(C)C)n2)o1	ZINC000826323059	608389236	/nfs/dbraw/zinc/38/92/36/608389236.db2.gz	NYLYAQLESZIEER-UHFFFAOYSA-N	-1	0	314.313	0.465	20	30		DCEDRM
N#CCN1C[C@@H]2[C@@H](CNC(=O)c3n[n-]c4ccccc4c3=O)[C@@H]2C1	ZINC000978825111	660610189	/nfs/dbraw/zinc/61/01/89/660610189.db2.gz	NGZPVPSSVXECKP-XYYAHUGASA-N	-1	0	323.356	0.767	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC000970446937	657526752	/nfs/dbraw/zinc/52/67/52/657526752.db2.gz	LPLDFQVWBRZUPP-WCQGTBRESA-N	-1	0	321.381	0.038	20	30		DCEDRM
C[C@H]1CO[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000892411964	658353483	/nfs/dbraw/zinc/35/34/83/658353483.db2.gz	SFLROWMNAJJFHH-MFKMUULPSA-N	-1	0	308.359	0.929	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(C)nc1Br	ZINC000892489497	658718829	/nfs/dbraw/zinc/71/88/29/658718829.db2.gz	KXEDAJSEGLGNOO-SSDOTTSWSA-N	-1	0	311.139	0.807	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn3cc(C)cnc23)CC1	ZINC000893304453	659319990	/nfs/dbraw/zinc/31/99/90/659319990.db2.gz	BQHJUZPHPJGHOX-UHFFFAOYSA-N	-1	0	306.347	0.816	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)c1[O-]	ZINC000940042210	665690803	/nfs/dbraw/zinc/69/08/03/665690803.db2.gz	JWNFNEUVBZGYNS-LLVKDONJSA-N	-1	0	302.334	0.168	20	30		DCEDRM
C=CCN1C(=O)N(CC(=O)[N-]OC)C(=O)[C@H]1Cc1ccccc1	ZINC000925254972	662560005	/nfs/dbraw/zinc/56/00/05/662560005.db2.gz	UGROFTVJKGPCIN-CYBMUJFWSA-N	-1	0	317.345	0.726	20	30		DCEDRM
C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899926868	663201150	/nfs/dbraw/zinc/20/11/50/663201150.db2.gz	PAWDGYJADAGPKD-VXGBXAGGSA-N	-1	0	300.380	0.516	20	30		DCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)CC[C@H]2CCOC2)C1	ZINC000899926913	663201197	/nfs/dbraw/zinc/20/11/97/663201197.db2.gz	PSFGNMMGNWBJRS-QWHCGFSZSA-N	-1	0	315.391	0.543	20	30		DCEDRM
C[C@H]1CCN(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)C1	ZINC000899926934	663201410	/nfs/dbraw/zinc/20/14/10/663201410.db2.gz	QDOXDRKWOIVMGN-RYUDHWBXSA-N	-1	0	300.380	0.373	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(OC)c1OC	ZINC000899929382	663201503	/nfs/dbraw/zinc/20/15/03/663201503.db2.gz	CFYKNPJOIVZDRD-UHFFFAOYSA-N	-1	0	313.331	0.412	20	30		DCEDRM
C=CCSCCNC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC000900284232	663231461	/nfs/dbraw/zinc/23/14/61/663231461.db2.gz	GXNWTAQZYBGLBH-CYBMUJFWSA-N	-1	0	312.395	0.945	20	30		DCEDRM
CSCCNC(=S)NN=Cc1cc(C(=O)[O-])cn1C	ZINC000901208947	663330541	/nfs/dbraw/zinc/33/05/41/663330541.db2.gz	YMUOJADPNZZHCR-UHFFFAOYSA-N	-1	0	300.409	0.884	20	30		DCEDRM
C#CCOc1ccc(C(=O)N=c2nn[n-]n2CCOC)cc1	ZINC000906296761	663608897	/nfs/dbraw/zinc/60/88/97/663608897.db2.gz	CKBLWSDBUBDEEX-UHFFFAOYSA-N	-1	0	301.306	0.006	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CCCO1	ZINC000906935370	663652826	/nfs/dbraw/zinc/65/28/26/663652826.db2.gz	RBGFSIQAUJJMCE-CHWSQXEVSA-N	-1	0	309.343	0.844	20	30		DCEDRM
C[C@@]1([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCNC1=O	ZINC000907808181	663720302	/nfs/dbraw/zinc/72/03/02/663720302.db2.gz	TZBFDDOIASQIHX-GFCCVEGCSA-N	-1	0	315.301	0.393	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCC(C)(C)N1CCOCC1)C(=O)[O-]	ZINC000908746705	663767991	/nfs/dbraw/zinc/76/79/91/663767991.db2.gz	DCQUKVAYNKMRKX-GFCCVEGCSA-N	-1	0	313.398	0.816	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000909246178	663787844	/nfs/dbraw/zinc/78/78/44/663787844.db2.gz	LQCAOSZKJIIZOE-ASHKBJFXSA-N	-1	0	312.366	0.851	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000909236808	663788760	/nfs/dbraw/zinc/78/87/60/663788760.db2.gz	BQVLOCAXGBGFMZ-CYDGBPFRSA-N	-1	0	312.366	0.757	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1	ZINC000909832952	663811547	/nfs/dbraw/zinc/81/15/47/663811547.db2.gz	KAFDFQDEXAJUEL-LLVKDONJSA-N	-1	0	305.334	0.783	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000910053739	663837886	/nfs/dbraw/zinc/83/78/86/663837886.db2.gz	IQMBCXUUZRIKFX-AWEZNQCLSA-N	-1	0	302.330	0.730	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)[C@H](C)CC)C1)C(=O)[O-]	ZINC000910054458	663837890	/nfs/dbraw/zinc/83/78/90/663837890.db2.gz	OQSJNEHMQUDCLU-UPJWGTAASA-N	-1	0	308.378	0.864	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN(C(=O)[C@@H](C)CC)C1)C(=O)[O-]	ZINC000910054457	663837920	/nfs/dbraw/zinc/83/79/20/663837920.db2.gz	OQSJNEHMQUDCLU-AVGNSLFASA-N	-1	0	308.378	0.864	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000911349085	664033827	/nfs/dbraw/zinc/03/38/27/664033827.db2.gz	KXFJORDDEFNGOR-AAEUAGOBSA-N	-1	0	305.330	0.790	20	30		DCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC000912559714	664188468	/nfs/dbraw/zinc/18/84/68/664188468.db2.gz	BGZXQWLZFWYKOF-UHFFFAOYSA-N	-1	0	324.322	0.085	20	30		DCEDRM
C#CCOCC[N-]S(=O)(=O)c1occc1Br	ZINC000914361544	664773874	/nfs/dbraw/zinc/77/38/74/664773874.db2.gz	PJXLXNXCZGJMQA-UHFFFAOYSA-N	-1	0	308.153	0.970	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cccn2)cc1	ZINC000193416025	664874179	/nfs/dbraw/zinc/87/41/79/664874179.db2.gz	OTCCKHVHJVHQQW-AWEZNQCLSA-N	-1	0	312.329	0.957	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)c1ccc(CC(=O)[O-])cc1	ZINC000731926906	664891750	/nfs/dbraw/zinc/89/17/50/664891750.db2.gz	HIPVCXAJBKTDOP-UHFFFAOYSA-N	-1	0	322.390	0.248	20	30		DCEDRM
N#Cc1ccccc1C=CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000732089476	664901651	/nfs/dbraw/zinc/90/16/51/664901651.db2.gz	IHQWHLDRCGKKPM-CFHLNLSMSA-N	-1	0	310.317	0.685	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1csc(NC(C)=O)n1	ZINC000916870617	665098108	/nfs/dbraw/zinc/09/81/08/665098108.db2.gz	LPQYAGVIVZLPRP-VIFPVBQESA-N	-1	0	324.362	0.577	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn2cccnc12	ZINC000916871569	665098126	/nfs/dbraw/zinc/09/81/26/665098126.db2.gz	XIIQNAYQKRIEDF-JTQLQIEISA-N	-1	0	301.306	0.204	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)c1[O-]	ZINC001002925635	666246053	/nfs/dbraw/zinc/24/60/53/666246053.db2.gz	UFQRVSRDSDAFHR-ONGXEEELSA-N	-1	0	319.365	0.646	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1	ZINC000861159493	666906248	/nfs/dbraw/zinc/90/62/48/666906248.db2.gz	WEBQIXCPVJPOGI-SECBINFHSA-N	-1	0	324.349	0.701	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)N(C)CC(F)(F)F	ZINC000788071965	667019824	/nfs/dbraw/zinc/01/98/24/667019824.db2.gz	RQQVTKPUVLFHEO-MRVPVSSYSA-N	-1	0	300.302	0.338	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C(C)C)N1CCCC1=O	ZINC000788072419	667033766	/nfs/dbraw/zinc/03/37/66/667033766.db2.gz	VDNIUBZCHGMOHA-LBPRGKRZSA-N	-1	0	300.380	0.103	20	30		DCEDRM
O=C([O-])Cn1cc(C=NNC[C@H]2COc3ccccc3O2)nn1	ZINC000863199555	667116772	/nfs/dbraw/zinc/11/67/72/667116772.db2.gz	DUDQHFMKQMNXDV-NSHDSACASA-N	-1	0	317.305	0.126	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000863806898	667185467	/nfs/dbraw/zinc/18/54/67/667185467.db2.gz	UEVRXIKYVTUZOP-GFCCVEGCSA-N	-1	0	301.302	0.798	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)[O-]	ZINC000864186067	667222934	/nfs/dbraw/zinc/22/29/34/667222934.db2.gz	IIQFRPLGYCFMMT-IUCAKERBSA-N	-1	0	309.771	0.666	20	30		DCEDRM
C=CCN1CCC(NS(=O)(=O)N=[S@@](C)(=O)CC)CC1	ZINC000866744441	667393205	/nfs/dbraw/zinc/39/32/05/667393205.db2.gz	KTUBCDBNDKLVHD-SFHVURJKSA-N	-1	0	309.457	0.589	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@]2(C#N)CCCOC2)C1	ZINC000923084347	667460765	/nfs/dbraw/zinc/46/07/65/667460765.db2.gz	YHUIJYQHUGQNIA-HUUCEWRRSA-N	-1	0	310.350	0.647	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@]2(C#N)CCCOC2)C1	ZINC000923084345	667460783	/nfs/dbraw/zinc/46/07/83/667460783.db2.gz	YHUIJYQHUGQNIA-CABCVRRESA-N	-1	0	310.350	0.647	20	30		DCEDRM
CO[N-]C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	ZINC000134761824	667551022	/nfs/dbraw/zinc/55/10/22/667551022.db2.gz	KYCAJWMAWZDVMG-UHFFFAOYSA-N	-1	0	313.317	0.977	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CNC(=O)CC(C)(C)C	ZINC000122711491	667672764	/nfs/dbraw/zinc/67/27/64/667672764.db2.gz	AZTSASAMCKKTOW-JTQLQIEISA-N	-1	0	304.350	0.864	20	30		DCEDRM
COCCN1C[C@H](C(=O)[N-]Oc2cccc(C#N)c2)CC1=O	ZINC000870693630	667752014	/nfs/dbraw/zinc/75/20/14/667752014.db2.gz	OQZHSUDNQXCXKE-GFCCVEGCSA-N	-1	0	303.318	0.463	20	30		DCEDRM
COCCN1C[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)CC1=O	ZINC000870693631	667752481	/nfs/dbraw/zinc/75/24/81/667752481.db2.gz	OQZHSUDNQXCXKE-LBPRGKRZSA-N	-1	0	303.318	0.463	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(C(C)=O)C2)CC1	ZINC000870833193	667764925	/nfs/dbraw/zinc/76/49/25/667764925.db2.gz	YVPPGWRUJHGLEI-NSHDSACASA-N	-1	0	300.380	0.410	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCc3cnn(C)c3C2)CC1	ZINC000870836683	667765525	/nfs/dbraw/zinc/76/55/25/667765525.db2.gz	LMZJFXFUTZCJPD-JTQLQIEISA-N	-1	0	309.391	0.690	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc1	ZINC000744136884	667821073	/nfs/dbraw/zinc/82/10/73/667821073.db2.gz	KGMLIDVKVPTRSC-ZDUSSCGKSA-N	-1	0	309.343	0.547	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](C2)[C@H]3C(=O)[O-])c1	ZINC000871772323	667848349	/nfs/dbraw/zinc/84/83/49/667848349.db2.gz	OHSLSTWSZURYOY-AGIUHOORSA-N	-1	0	306.343	0.899	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc3c[nH]nc32)CC1	ZINC000753946112	668038412	/nfs/dbraw/zinc/03/84/12/668038412.db2.gz	YBQNRYZIHREXSC-UHFFFAOYSA-N	-1	0	304.331	0.926	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1	ZINC000753945299	668038555	/nfs/dbraw/zinc/03/85/55/668038555.db2.gz	MUFVLBYVMONVRZ-UHFFFAOYSA-N	-1	0	322.342	0.837	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)Cn2ncc3cccnc32)CC1	ZINC000873531861	668089489	/nfs/dbraw/zinc/08/94/89/668089489.db2.gz	YRBMOXGGIKADAE-UHFFFAOYSA-N	-1	0	320.374	0.986	20	30		DCEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)nc2)cn1	ZINC000759825612	668241012	/nfs/dbraw/zinc/24/10/12/668241012.db2.gz	UQYCDNURZAYUPX-UHFFFAOYSA-N	-1	0	318.314	0.476	20	30		DCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000761107096	668305547	/nfs/dbraw/zinc/30/55/47/668305547.db2.gz	MCSSMDPEBCPGNK-NSHDSACASA-N	-1	0	310.375	0.776	20	30		DCEDRM
COC(=O)c1ccc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)o1	ZINC000761806317	668336886	/nfs/dbraw/zinc/33/68/86/668336886.db2.gz	XTSUQRUKISVQBT-HYXAFXHYSA-N	-1	0	304.258	0.762	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CS2	ZINC000763034825	668393084	/nfs/dbraw/zinc/39/30/84/668393084.db2.gz	YMVPNMNLYQENQT-UHFFFAOYSA-N	-1	0	312.372	0.976	20	30		DCEDRM
Cn1ccnc(N=NCc2[nH]nc3cc(C(=O)[O-])ccc32)c1=O	ZINC000765582678	668500595	/nfs/dbraw/zinc/50/05/95/668500595.db2.gz	YLQFHJSLJPIUNS-UHFFFAOYSA-N	-1	0	312.289	0.801	20	30		DCEDRM
CC(C)(C)[C@](C)(C#N)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000766588102	668539851	/nfs/dbraw/zinc/53/98/51/668539851.db2.gz	MNRNNLPTMGKYJV-AWEZNQCLSA-N	-1	0	302.338	0.516	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@]1(C)CCCO1	ZINC000766978692	668555228	/nfs/dbraw/zinc/55/52/28/668555228.db2.gz	BHSNOMDGYBQSPL-AWEZNQCLSA-N	-1	0	324.358	0.941	20	30		DCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)nn1	ZINC000768850086	668624882	/nfs/dbraw/zinc/62/48/82/668624882.db2.gz	YLTXXRHRPQWECR-IHWYPQMZSA-N	-1	0	301.258	0.988	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-n2cnnn2)cc1	ZINC000770861965	668720128	/nfs/dbraw/zinc/72/01/28/668720128.db2.gz	JWCLCCHHUIAIKF-GFCCVEGCSA-N	-1	0	321.300	0.601	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)(C)C	ZINC000772723591	668782654	/nfs/dbraw/zinc/78/26/54/668782654.db2.gz	OCTBCYSHVVHRKJ-JTQLQIEISA-N	-1	0	302.396	0.656	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@]1(C)Cc2ccccc2C(=O)O1	ZINC000772724225	668782554	/nfs/dbraw/zinc/78/25/54/668782554.db2.gz	VDQPVUQTKNBMRF-AWEZNQCLSA-N	-1	0	309.343	0.790	20	30		DCEDRM
N#Cc1ccnc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)c1	ZINC000774326688	668830909	/nfs/dbraw/zinc/83/09/09/668830909.db2.gz	KLRRSVBSSKAKPR-UHFFFAOYSA-N	-1	0	313.317	0.853	20	30		DCEDRM
CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000775232897	668859373	/nfs/dbraw/zinc/85/93/73/668859373.db2.gz	RVECNGIZTUMVGQ-UHFFFAOYSA-N	-1	0	322.342	0.706	20	30		DCEDRM
C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776116356	668870940	/nfs/dbraw/zinc/87/09/40/668870940.db2.gz	OXWCJBXJBRWKIJ-VIFPVBQESA-N	-1	0	303.384	0.287	20	30		DCEDRM
Cn1cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776116142	668871033	/nfs/dbraw/zinc/87/10/33/668871033.db2.gz	IAZAOYLYPOWXNX-UHFFFAOYSA-N	-1	0	300.296	0.297	20	30		DCEDRM
CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776123363	668871516	/nfs/dbraw/zinc/87/15/16/668871516.db2.gz	ZOELKCCCJMPKRR-UHFFFAOYSA-N	-1	0	303.384	0.385	20	30		DCEDRM
CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776140965	668871609	/nfs/dbraw/zinc/87/16/09/668871609.db2.gz	SBZXAXNTJUASOE-UHFFFAOYSA-N	-1	0	317.411	0.679	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000776587084	668878542	/nfs/dbraw/zinc/87/85/42/668878542.db2.gz	HWYYBHPJEVUTTG-JTQLQIEISA-N	-1	0	311.363	0.364	20	30		DCEDRM
N#CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000776603916	668879210	/nfs/dbraw/zinc/87/92/10/668879210.db2.gz	QCNVFVZUIQWXSX-NWDGAFQWSA-N	-1	0	312.347	0.396	20	30		DCEDRM
C=CCC[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1	ZINC000778725436	668903094	/nfs/dbraw/zinc/90/30/94/668903094.db2.gz	RRWDLNOEOFKMEH-GFCCVEGCSA-N	-1	0	310.375	0.668	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000779234730	668908689	/nfs/dbraw/zinc/90/86/89/668908689.db2.gz	QJHZLGJYZZJCFS-UHFFFAOYSA-N	-1	0	314.275	0.569	20	30		DCEDRM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC/C=C\C(=O)[O-]	ZINC000788444277	668910503	/nfs/dbraw/zinc/91/05/03/668910503.db2.gz	AAMZRKGJYWJZJA-DJWKRKHSSA-N	-1	0	311.275	0.386	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1)OCC	ZINC000780608595	668999705	/nfs/dbraw/zinc/99/97/05/668999705.db2.gz	KMTJXVJZFUSZSV-RYUDHWBXSA-N	-1	0	305.396	0.983	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000783123886	669144242	/nfs/dbraw/zinc/14/42/42/669144242.db2.gz	JYXNBGFSTCWHER-AAEUAGOBSA-N	-1	0	305.396	0.840	20	30		DCEDRM
CCC1(C(=O)OCc2cc(=O)n3[n-]cc(C#N)c3n2)COC1	ZINC000784082849	669188921	/nfs/dbraw/zinc/18/89/21/669188921.db2.gz	DVUDOPNACDQFFS-UHFFFAOYSA-N	-1	0	302.290	0.776	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccn(CCOC)n1	ZINC000784486557	669207625	/nfs/dbraw/zinc/20/76/25/669207625.db2.gz	NUZZLDSIJHDCPZ-LLVKDONJSA-N	-1	0	308.338	0.005	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@H]1CO[C@H](C)C1	ZINC000784546621	669210106	/nfs/dbraw/zinc/21/01/06/669210106.db2.gz	KXAUAFFXELMHSD-MWLCHTKSSA-N	-1	0	324.358	0.797	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]N2CCCNC2=O)c(Cl)c1	ZINC000784723596	669218213	/nfs/dbraw/zinc/21/82/13/669218213.db2.gz	INMAXCKAAXECFR-UHFFFAOYSA-N	-1	0	314.754	0.820	20	30		DCEDRM
C#CCNC(=O)CN1CCN(C(=O)c2cccc(F)c2[O-])CC1	ZINC000931879141	669275921	/nfs/dbraw/zinc/27/59/21/669275921.db2.gz	IJGPHZMLOAZXJU-UHFFFAOYSA-N	-1	0	319.336	0.039	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCC[C@@H](C(N)=O)C1	ZINC000786961341	669344584	/nfs/dbraw/zinc/34/45/84/669344584.db2.gz	MHDOJMNWFVCUFG-HBNTYKKESA-N	-1	0	302.334	0.603	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c1	ZINC000787206654	669356810	/nfs/dbraw/zinc/35/68/10/669356810.db2.gz	TXZVILKYAVZSFH-OLZOCXBDSA-N	-1	0	316.313	0.355	20	30		DCEDRM
COCCO[N-]C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000789826097	669512766	/nfs/dbraw/zinc/51/27/66/669512766.db2.gz	JRPJZWIYNVVOPZ-UHFFFAOYSA-N	-1	0	321.333	0.978	20	30		DCEDRM
N#CCn1cc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)cn1	ZINC000790052817	669534495	/nfs/dbraw/zinc/53/44/95/669534495.db2.gz	KOXLOEXQUCFMOF-UHFFFAOYSA-N	-1	0	316.293	0.669	20	30		DCEDRM
CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)nn1	ZINC000791867704	669635178	/nfs/dbraw/zinc/63/51/78/669635178.db2.gz	YGGSVCKQEWOHIT-UHFFFAOYSA-N	-1	0	313.383	0.642	20	30		DCEDRM
Cc1noc(C)c1CCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793212150	669707953	/nfs/dbraw/zinc/70/79/53/669707953.db2.gz	KJBHSBONZSCNPF-UHFFFAOYSA-N	-1	0	311.363	0.974	20	30		DCEDRM
COc1ccc(OCC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1	ZINC000793212688	669708138	/nfs/dbraw/zinc/70/81/38/669708138.db2.gz	SCBWBDAFEXSOAQ-UHFFFAOYSA-N	-1	0	324.358	0.824	20	30		DCEDRM
COC[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(N)=O	ZINC000132971607	669760879	/nfs/dbraw/zinc/76/08/79/669760879.db2.gz	OMLCGOBNSSRYDP-LKNLMNAZSA-N	-1	0	301.686	0.873	20	30		DCEDRM
C#CCOc1ccc(NC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000797744378	669974665	/nfs/dbraw/zinc/97/46/65/669974665.db2.gz	SOBRTEWCSCYFOO-YPMHNXCESA-N	-1	0	304.302	0.750	20	30		DCEDRM
CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000798831030	670026559	/nfs/dbraw/zinc/02/65/59/670026559.db2.gz	YZUOOCVIGOPAQM-UWVGGRQHSA-N	-1	0	313.383	0.593	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCc1nnn(C)n1	ZINC000799461490	670059413	/nfs/dbraw/zinc/05/94/13/670059413.db2.gz	PHEZYNVKKKCOSX-UHFFFAOYSA-N	-1	0	316.321	0.475	20	30		DCEDRM
C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)O1	ZINC000800406581	670089656	/nfs/dbraw/zinc/08/96/56/670089656.db2.gz	MLTBRNQYROYKIH-MXWKQRLJSA-N	-1	0	300.380	0.940	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C1=CCOCC1	ZINC000802150109	670152686	/nfs/dbraw/zinc/15/26/86/670152686.db2.gz	NJHJKUPUWFSZBL-UHFFFAOYSA-N	-1	0	322.342	0.718	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)cn1	ZINC000802209539	670158481	/nfs/dbraw/zinc/15/84/81/670158481.db2.gz	BTMRDEJKMROAMQ-UHFFFAOYSA-N	-1	0	317.330	0.215	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1scnc1Br	ZINC000810772755	670496209	/nfs/dbraw/zinc/49/62/09/670496209.db2.gz	DLWAWCAHKCOMLY-UHFFFAOYSA-N	-1	0	323.193	0.989	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(OC)c1	ZINC000810772167	670496518	/nfs/dbraw/zinc/49/65/18/670496518.db2.gz	VNSIXTKUOXICDH-UHFFFAOYSA-N	-1	0	312.303	0.686	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)N2CCCC2)c1	ZINC000810770926	670496535	/nfs/dbraw/zinc/49/65/35/670496535.db2.gz	DXVKLVHGITVSPV-UHFFFAOYSA-N	-1	0	323.374	0.334	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OCC(F)F)nc1	ZINC000810773581	670496889	/nfs/dbraw/zinc/49/68/89/670496889.db2.gz	JEYCGBSJPZZVQU-UHFFFAOYSA-N	-1	0	318.301	0.808	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(Cl)n(C)nc1CC	ZINC000810778112	670497183	/nfs/dbraw/zinc/49/71/83/670497183.db2.gz	PRMLSPMGHRURJL-UHFFFAOYSA-N	-1	0	303.771	0.719	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	ZINC000810776292	670497277	/nfs/dbraw/zinc/49/72/77/670497277.db2.gz	NPMAIXKYEFAXKI-UHFFFAOYSA-N	-1	0	320.370	0.999	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cccc(OCC#N)c1	ZINC000810779956	670497428	/nfs/dbraw/zinc/49/74/28/670497428.db2.gz	IIXBMRQKKKSADG-UHFFFAOYSA-N	-1	0	306.343	0.601	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21	ZINC000810778670	670497523	/nfs/dbraw/zinc/49/75/23/670497523.db2.gz	IVAXDGZTEUZCOX-LLVKDONJSA-N	-1	0	324.333	0.721	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)c(C)c1	ZINC000810778407	670497591	/nfs/dbraw/zinc/49/75/91/670497591.db2.gz	WRDBJNHIBUSTCD-UHFFFAOYSA-N	-1	0	319.346	0.054	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(C)nn2C	ZINC000810780096	670497594	/nfs/dbraw/zinc/49/75/94/670497594.db2.gz	NCUWAXXNXRSPDX-UHFFFAOYSA-N	-1	0	306.347	0.360	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc(OCC2CC2)cn1	ZINC000810783107	670497791	/nfs/dbraw/zinc/49/77/91/670497791.db2.gz	FVKSYVJGEDEGMJ-UHFFFAOYSA-N	-1	0	309.347	0.348	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC000810786499	670498033	/nfs/dbraw/zinc/49/80/33/670498033.db2.gz	LJUXZBNIYMYOLI-JTQLQIEISA-N	-1	0	300.380	0.103	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(C2OCCO2)c1	ZINC000810785515	670498080	/nfs/dbraw/zinc/49/80/80/670498080.db2.gz	KRFFGOGZQOKLLE-UHFFFAOYSA-N	-1	0	309.343	0.815	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000810827819	670498552	/nfs/dbraw/zinc/49/85/52/670498552.db2.gz	VEGYJPYPEDEIEK-UHFFFAOYSA-N	-1	0	319.342	0.594	20	30		DCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cccc(F)c1C#N	ZINC000810828104	670498586	/nfs/dbraw/zinc/49/85/86/670498586.db2.gz	FTNKKKIBJLYGOT-UHFFFAOYSA-N	-1	0	324.293	0.695	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NCC(=O)[N-]OC2CCCC2)c1	ZINC000810890942	670499857	/nfs/dbraw/zinc/49/98/57/670499857.db2.gz	XCMIHJKFRSMPIC-UHFFFAOYSA-N	-1	0	323.374	0.827	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)COC[C@@H]2CCCO2)CC1	ZINC000810980488	670501682	/nfs/dbraw/zinc/50/16/82/670501682.db2.gz	AFFAXNJJFOTPHW-NSHDSACASA-N	-1	0	303.380	0.737	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)c1ccccc1[N-]S(=O)(=O)CCC	ZINC000854547696	670586299	/nfs/dbraw/zinc/58/62/99/670586299.db2.gz	YMYJDTSLLAQBTD-GFCCVEGCSA-N	-1	0	324.402	0.952	20	30		DCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)n1C	ZINC000813981837	670667313	/nfs/dbraw/zinc/66/73/13/670667313.db2.gz	JOWGHIFQZNKGFH-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
CCc1noc(C)c1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813979843	670667423	/nfs/dbraw/zinc/66/74/23/670667423.db2.gz	GGYYMWKDLAEWRD-UHFFFAOYSA-N	-1	0	320.330	0.931	20	30		DCEDRM
COC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983352	670668270	/nfs/dbraw/zinc/66/82/70/670668270.db2.gz	RIWBMRMLGQRWPP-VHSXEESVSA-N	-1	0	311.363	0.677	20	30		DCEDRM
CCn1ncn(N=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1=O	ZINC000814235209	670682873	/nfs/dbraw/zinc/68/28/73/670682873.db2.gz	ZOWULWNFDWWFAB-JTQLQIEISA-N	-1	0	304.306	0.799	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2ccccc2-n2cncn2)c1=O	ZINC000814724699	670702015	/nfs/dbraw/zinc/70/20/15/670702015.db2.gz	XIRGDWSJYSJDJR-UHFFFAOYSA-N	-1	0	313.346	0.698	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)CC1	ZINC000816004949	670778578	/nfs/dbraw/zinc/77/85/78/670778578.db2.gz	UXPOZDJZRUEJQF-UHFFFAOYSA-N	-1	0	308.315	0.914	20	30		DCEDRM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000816023642	670780183	/nfs/dbraw/zinc/78/01/83/670780183.db2.gz	GBUXORATUFLEKB-BDAKNGLRSA-N	-1	0	302.352	0.324	20	30		DCEDRM
CN(C)C(=O)C1CCC(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC000856920608	670864495	/nfs/dbraw/zinc/86/44/95/670864495.db2.gz	VHNHGINWZZATOM-UHFFFAOYSA-N	-1	0	314.349	0.986	20	30		DCEDRM
CC(C)(C)n1nnc(C([O-])=C(C#N)C(=O)Nc2ccccn2)n1	ZINC000850781996	670940285	/nfs/dbraw/zinc/94/02/85/670940285.db2.gz	IDHDSKMDTZEESX-SECBINFHSA-N	-1	0	313.321	0.784	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC(C)(C)C	ZINC000850837243	670947115	/nfs/dbraw/zinc/94/71/15/670947115.db2.gz	YSANPDBZVFRWCX-LLVKDONJSA-N	-1	0	304.412	0.949	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)[O-])[C@@H]1CCCO1	ZINC000817880590	670949730	/nfs/dbraw/zinc/94/97/30/670949730.db2.gz	AEBQIJSTLVCLNM-YPMHNXCESA-N	-1	0	316.313	0.620	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnc3n2CCOC3)CCC1	ZINC000850961056	670958034	/nfs/dbraw/zinc/95/80/34/670958034.db2.gz	QTIRXBVKOPZYNR-UHFFFAOYSA-N	-1	0	324.362	0.167	20	30		DCEDRM
COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)[C@H](C)CC#N)c1	ZINC000850999273	670960386	/nfs/dbraw/zinc/96/03/86/670960386.db2.gz	AULABUHXGISWJS-SNVBAGLBSA-N	-1	0	324.358	0.969	20	30		DCEDRM
CO[C@@](C)(C(=O)[N-]S(=O)(=O)CCC#N)C(=O)OC(C)(C)C	ZINC000851015663	670961540	/nfs/dbraw/zinc/96/15/40/670961540.db2.gz	GRJRHKBMHMYKLZ-LBPRGKRZSA-N	-1	0	320.367	0.093	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000851034743	670963004	/nfs/dbraw/zinc/96/30/04/670963004.db2.gz	SXVXBUBCWSXTBI-LLVKDONJSA-N	-1	0	318.395	0.082	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CCCC1	ZINC000851041284	670963764	/nfs/dbraw/zinc/96/37/64/670963764.db2.gz	REBNWWIJJRAFIQ-CYBMUJFWSA-N	-1	0	323.374	0.963	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CCC1	ZINC000851649973	671004197	/nfs/dbraw/zinc/00/41/97/671004197.db2.gz	AIOATBDZEQWOLZ-UHFFFAOYSA-N	-1	0	304.368	0.141	20	30		DCEDRM
COCCOc1cccc(CC(=O)N[C@@H]2CCN(O)C2=O)c1	ZINC000820149377	671172260	/nfs/dbraw/zinc/17/22/60/671172260.db2.gz	OQJKYMZGSUEPNS-CYBMUJFWSA-N	-1	0	308.334	0.361	20	30		DCEDRM
C=CCN(C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)[C@@H](C)COC	ZINC000852915237	671193857	/nfs/dbraw/zinc/19/38/57/671193857.db2.gz	BTLDXIHHHNXLSY-XHDPSFHLSA-N	-1	0	312.366	0.359	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC000853068789	671205743	/nfs/dbraw/zinc/20/57/43/671205743.db2.gz	DXKXLRIWITZLHU-KOLCDFICSA-N	-1	0	301.368	0.476	20	30		DCEDRM
CC(=O)Nc1cccc(CC(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000820510406	671207014	/nfs/dbraw/zinc/20/70/14/671207014.db2.gz	UHCIFVUYJYXCAQ-UHFFFAOYSA-N	-1	0	323.374	0.937	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnc2c(c1)NC(=O)CN2C	ZINC000860472750	671212079	/nfs/dbraw/zinc/21/20/79/671212079.db2.gz	MVWXHFFEYMQPGR-JTQLQIEISA-N	-1	0	315.333	0.317	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000853205139	671218433	/nfs/dbraw/zinc/21/84/33/671218433.db2.gz	ZOPZZDISUPSAEY-WDEREUQCSA-N	-1	0	309.384	0.075	20	30		DCEDRM
COCCCCS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)nc1	ZINC000860662345	671227970	/nfs/dbraw/zinc/22/79/70/671227970.db2.gz	CICWQKHBIQFWHZ-UHFFFAOYSA-N	-1	0	311.363	0.368	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)CCC#N)cc(OC)c1C	ZINC000821583622	671284434	/nfs/dbraw/zinc/28/44/34/671284434.db2.gz	BOGYQZHNBQMFNJ-UHFFFAOYSA-N	-1	0	312.347	0.986	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccn(-c2ccccc2)n1	ZINC000821583749	671284522	/nfs/dbraw/zinc/28/45/22/671284522.db2.gz	GMJQLRSDLCFTGD-UHFFFAOYSA-N	-1	0	304.331	0.846	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCO1	ZINC000824868078	671442566	/nfs/dbraw/zinc/44/25/66/671442566.db2.gz	SQLDCYTXIAFIEZ-NKWVEPMBSA-N	-1	0	302.298	0.215	20	30		DCEDRM
C[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc(C#N)c1-c1nn[nH]n1	ZINC000824935372	671444350	/nfs/dbraw/zinc/44/43/50/671444350.db2.gz	AHOOLDPBIWFWHN-UWVGGRQHSA-N	-1	0	314.353	0.630	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccn(C(F)F)n2)[n-]c1-c1nn[nH]n1	ZINC000826382780	671486776	/nfs/dbraw/zinc/48/67/76/671486776.db2.gz	UOGNWQHEPKXYTB-UHFFFAOYSA-N	-1	0	320.223	0.305	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CCN1C1CC1	ZINC000827384294	671525804	/nfs/dbraw/zinc/52/58/04/671525804.db2.gz	PUZBRRSEUWIUJV-JTQLQIEISA-N	-1	0	313.317	0.741	20	30		DCEDRM
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(=O)[nH][n-]2)[C@@H](C#N)C1	ZINC000829694322	671584494	/nfs/dbraw/zinc/58/44/94/671584494.db2.gz	LJBYULAHDVVVLQ-VIFPVBQESA-N	-1	0	321.337	0.700	20	30		DCEDRM
C=CCc1ccc(OCC(=O)NCC(=O)[N-]OC)c(OC)c1	ZINC000832776008	671741219	/nfs/dbraw/zinc/74/12/19/671741219.db2.gz	AKTXRRWBWJAQIU-UHFFFAOYSA-N	-1	0	308.334	0.596	20	30		DCEDRM
C=CCNC(=O)CNC(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000833376576	671747606	/nfs/dbraw/zinc/74/76/06/671747606.db2.gz	HOORLLBEUDNJRQ-UHFFFAOYSA-N	-1	0	312.351	0.584	20	30		DCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1	ZINC000835098749	671787680	/nfs/dbraw/zinc/78/76/80/671787680.db2.gz	RQEXZINUEPYXSD-UHFFFAOYSA-N	-1	0	318.395	0.445	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cnc2n1CCCC2	ZINC000835277316	671792398	/nfs/dbraw/zinc/79/23/98/671792398.db2.gz	YPUPMTZRDJIKCL-UHFFFAOYSA-N	-1	0	310.379	0.829	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)COc1cc(F)cc(F)c1	ZINC000835410542	671795409	/nfs/dbraw/zinc/79/54/09/671795409.db2.gz	UTMOYOUJYHMIAE-UHFFFAOYSA-N	-1	0	304.274	0.703	20	30		DCEDRM
CC(C)NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000835411591	671795924	/nfs/dbraw/zinc/79/59/24/671795924.db2.gz	RSKJXHZEHUMVEC-UHFFFAOYSA-N	-1	0	323.374	0.798	20	30		DCEDRM
CC(C)(C)OCCS(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000835915840	671809287	/nfs/dbraw/zinc/80/92/87/671809287.db2.gz	JZYXPUARIYICAM-UHFFFAOYSA-N	-1	0	311.363	0.828	20	30		DCEDRM
CC(C)(C)OCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000835920008	671809483	/nfs/dbraw/zinc/80/94/83/671809483.db2.gz	FXYLCZNXOZZXDB-UHFFFAOYSA-N	-1	0	311.363	0.828	20	30		DCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cn2c(n1)CCCC2	ZINC000837291121	671855029	/nfs/dbraw/zinc/85/50/29/671855029.db2.gz	HNWUEJYSNKNRHU-SNVBAGLBSA-N	-1	0	313.379	0.917	20	30		DCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cn2c(n1)CCCC2	ZINC000837291120	671855035	/nfs/dbraw/zinc/85/50/35/671855035.db2.gz	HNWUEJYSNKNRHU-JTQLQIEISA-N	-1	0	313.379	0.917	20	30		DCEDRM
C#CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC)cn1	ZINC000840945252	671906914	/nfs/dbraw/zinc/90/69/14/671906914.db2.gz	GMXBFIQSAADZLV-UHFFFAOYSA-N	-1	0	317.392	0.145	20	30		DCEDRM
CCCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000844086715	672146991	/nfs/dbraw/zinc/14/69/91/672146991.db2.gz	ZIIXYQJTVKJWDR-JTQLQIEISA-N	-1	0	311.363	0.683	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)CC[C@H]2CCOC2)CC1	ZINC000844819068	672204488	/nfs/dbraw/zinc/20/44/88/672204488.db2.gz	XQBUODBNFGKAHW-CYBMUJFWSA-N	-1	0	315.391	0.543	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)c2c[nH]nc2Cl)CC1	ZINC000844814749	672204748	/nfs/dbraw/zinc/20/47/48/672204748.db2.gz	KBYAVZJJGFSNOV-UHFFFAOYSA-N	-1	0	317.754	0.552	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000846004104	672288251	/nfs/dbraw/zinc/28/82/51/672288251.db2.gz	YMHIHWRWRVJDMT-UHFFFAOYSA-N	-1	0	315.326	0.184	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnc2c(c1)c(C)nn2C	ZINC000846151862	672297958	/nfs/dbraw/zinc/29/79/58/672297958.db2.gz	IQHISPRXJQPHNF-QMMMGPOBSA-N	-1	0	303.322	0.838	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1	ZINC000846157305	672298334	/nfs/dbraw/zinc/29/83/34/672298334.db2.gz	UFMGVZVYOYZVNK-RNCFNFMXSA-N	-1	0	319.317	0.472	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@H](CC)Nc1nnnn1-c1ccccc1	ZINC000846538581	672326467	/nfs/dbraw/zinc/32/64/67/672326467.db2.gz	KBQSAVHTJVTWSS-ZDUSSCGKSA-N	-1	0	316.365	0.899	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1	ZINC000846556098	672327287	/nfs/dbraw/zinc/32/72/87/672327287.db2.gz	YOGQVEKWLNRAIW-GWCFXTLKSA-N	-1	0	310.325	0.468	20	30		DCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000846712975	672339977	/nfs/dbraw/zinc/33/99/77/672339977.db2.gz	LVPRZKQGEOKYFM-WIHULJDFSA-N	-1	0	321.333	0.367	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCOCC(F)(F)F)CC1	ZINC000793195983	685343900	/nfs/dbraw/zinc/34/39/00/685343900.db2.gz	QOQDOOPRRHHHJZ-UHFFFAOYSA-N	-1	0	314.285	0.705	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)[C@H](C)C#N)c1[O-]	ZINC000956189413	686646312	/nfs/dbraw/zinc/64/63/12/686646312.db2.gz	WHVCWDSSLDLIKF-SCZZXKLOSA-N	-1	0	305.338	0.304	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC000956829354	686873739	/nfs/dbraw/zinc/87/37/39/686873739.db2.gz	YOSIGVNTWXXIIX-RMLUDKJBSA-N	-1	0	305.338	0.304	20	30		DCEDRM
N#CCN1CCC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001009191080	691005360	/nfs/dbraw/zinc/00/53/60/691005360.db2.gz	UWHNIAKSCOPKLE-SECBINFHSA-N	-1	0	301.306	0.646	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001015828485	692458704	/nfs/dbraw/zinc/45/87/04/692458704.db2.gz	IUSYCBMYLJKOFA-GVXVVHGQSA-N	-1	0	321.381	0.182	20	30		DCEDRM
C[C@@H]1CC[C@@H](NC(=O)c2cn[nH]n2)CN1C(=O)C#CC1CC1	ZINC001018248648	693069293	/nfs/dbraw/zinc/06/92/93/693069293.db2.gz	DBDQNMLANQTPER-ZYHUDNBSSA-N	-1	0	301.350	0.327	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N(CC)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001745300771	1157883195	/nfs/dbraw/zinc/88/31/95/1157883195.db2.gz	IUYMGMSCDFVNMJ-LLVKDONJSA-N	-1	0	324.381	0.593	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC(CNC(=O)C#CC3CC3)C2)c1[O-]	ZINC001745974465	1158235670	/nfs/dbraw/zinc/23/56/70/1158235670.db2.gz	YOXKHJDGVRESGG-UHFFFAOYSA-N	-1	0	302.334	0.025	20	30		DCEDRM
Cc1cc2n[nH]cc2cc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001447677893	1159682368	/nfs/dbraw/zinc/68/23/68/1159682368.db2.gz	FRPMLIAHAMAMOJ-UHFFFAOYSA-N	-1	0	324.300	0.644	20	30		DCEDRM
COC[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1nnn[n-]1	ZINC001455744234	1159760354	/nfs/dbraw/zinc/76/03/54/1159760354.db2.gz	ZQCPCTDUJMRFGF-LLVKDONJSA-N	-1	0	318.362	0.667	20	30		DCEDRM
C=CCCCCCN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001567815168	1160488829	/nfs/dbraw/zinc/48/88/29/1160488829.db2.gz	DJINZEJWRPCOIE-UHFFFAOYSA-N	-1	0	309.370	0.236	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001569496381	1161078681	/nfs/dbraw/zinc/07/86/81/1161078681.db2.gz	MHTQWWYOXSVIIZ-HNNXBMFYSA-N	-1	0	323.397	0.382	20	30		DCEDRM
CC(C)[N@H+](CCC(=O)[O-])Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001573519083	1163456537	/nfs/dbraw/zinc/45/65/37/1163456537.db2.gz	BGHGWGWIEBVGBY-UHFFFAOYSA-N	-1	0	303.322	0.992	20	30		DCEDRM
CC[C@@H](C(=O)[O-])N(C1CC1)S(=O)(=O)c1ccc(C#N)cn1	ZINC001573666122	1163526538	/nfs/dbraw/zinc/52/65/38/1163526538.db2.gz	NUHPVRKDPVEVEB-NSHDSACASA-N	-1	0	309.347	0.970	20	30		DCEDRM
CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1coc(C#N)c1	ZINC001573865142	1163572883	/nfs/dbraw/zinc/57/28/83/1163572883.db2.gz	SBURCCRBTPQNEY-SNVBAGLBSA-N	-1	0	319.317	0.546	20	30		DCEDRM
Cc1c(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)cnn1CCC#N	ZINC001574113155	1163639792	/nfs/dbraw/zinc/63/97/92/1163639792.db2.gz	LUJPEIZVJNHOGD-ZDUSSCGKSA-N	-1	0	320.349	0.715	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[N@H+](CC(=O)[O-])CC1	ZINC001574126937	1163643461	/nfs/dbraw/zinc/64/34/61/1163643461.db2.gz	JEKUMSHJEHYSHA-UHFFFAOYSA-N	-1	0	318.333	0.200	20	30		DCEDRM
Cc1cc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)ncc1C#N	ZINC001574128845	1163644508	/nfs/dbraw/zinc/64/45/08/1163644508.db2.gz	ZNIATLGUIIZVSA-OAHLLOKOSA-N	-1	0	303.318	0.873	20	30		DCEDRM
Cc1cc(C(=O)Nc2cccn(CC(=O)[O-])c2=O)ncc1C#N	ZINC001574128467	1163644746	/nfs/dbraw/zinc/64/47/46/1163644746.db2.gz	VTHFTGIWSSQKHT-UHFFFAOYSA-N	-1	0	312.285	0.760	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H]2c2n[nH]nc2C(=O)[O-])nc1	ZINC001574245721	1163673019	/nfs/dbraw/zinc/67/30/19/1163673019.db2.gz	YWSWQGMYHCFASJ-JTQLQIEISA-N	-1	0	312.289	0.747	20	30		DCEDRM
N#Cc1csc(CNC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)n1	ZINC001574249639	1163674674	/nfs/dbraw/zinc/67/46/74/1163674674.db2.gz	YWWAEJZVMWILTD-WCABBAIRSA-N	-1	0	306.347	0.877	20	30		DCEDRM
C[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)Cc2cncnc21	ZINC001576365069	1164316339	/nfs/dbraw/zinc/31/63/39/1164316339.db2.gz	NVDGVCDJSPIMAI-QMMMGPOBSA-N	-1	0	320.320	0.442	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001576990741	1164574672	/nfs/dbraw/zinc/57/46/72/1164574672.db2.gz	KTZYMYRBGCYIJQ-OAHLLOKOSA-N	-1	0	324.381	0.329	20	30		DCEDRM
COC[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)[C@@H]1CCCO1	ZINC001579699566	1165379554	/nfs/dbraw/zinc/37/95/54/1165379554.db2.gz	KXVFKGCBRXNPSZ-ZJUUUORDSA-N	-1	0	316.325	0.134	20	30		DCEDRM
COC[C@]1(CO)CCN(c2c(C#N)cccc2-c2nn[nH]n2)C1	ZINC001579746990	1165385393	/nfs/dbraw/zinc/38/53/93/1165385393.db2.gz	LKWYSTJZQHUGPE-OAHLLOKOSA-N	-1	0	314.349	0.574	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3cccc(N)c3)C2)c(=O)[n-]c1=O	ZINC001580080851	1165494474	/nfs/dbraw/zinc/49/44/74/1165494474.db2.gz	IVVZDTRFKSNFDS-UHFFFAOYSA-N	-1	0	311.301	0.100	20	30		DCEDRM
Cn1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c(C2CC2)n1	ZINC001581764785	1165870765	/nfs/dbraw/zinc/87/07/65/1165870765.db2.gz	PJYHCZRMGZSYCJ-UHFFFAOYSA-N	-1	0	324.308	0.325	20	30		DCEDRM
Cn1ncc2c1CCC[C@H]2Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001581834272	1165885756	/nfs/dbraw/zinc/88/57/56/1165885756.db2.gz	ZYMQREBNYBAKCI-SECBINFHSA-N	-1	0	322.336	0.751	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ncc(F)cc2F)[n-]c1-c1nn[nH]n1	ZINC001581860899	1165895228	/nfs/dbraw/zinc/89/52/28/1165895228.db2.gz	YWZUAFKTRNPMRV-UHFFFAOYSA-N	-1	0	317.219	0.387	20	30		DCEDRM
N#Cc1ccc(Cn2cc(-c3nnn[n-]3)nn2)c(OC(F)F)c1	ZINC001581872033	1165896571	/nfs/dbraw/zinc/89/65/71/1165896571.db2.gz	HRZAIBDZUOHAAQ-UHFFFAOYSA-N	-1	0	318.247	0.980	20	30		DCEDRM
C#CC1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)CC1	ZINC001588330478	1166527576	/nfs/dbraw/zinc/52/75/76/1166527576.db2.gz	DSEWLEDKQBJLSV-UHFFFAOYSA-N	-1	0	318.362	0.296	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588332931	1166529476	/nfs/dbraw/zinc/52/94/76/1166529476.db2.gz	WJCOHRWBJGAEQT-ZJUUUORDSA-N	-1	0	300.326	0.034	20	30		DCEDRM
C#CC[C@H]1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1	ZINC001588336937	1166532692	/nfs/dbraw/zinc/53/26/92/1166532692.db2.gz	HMKWGDCJPGQJMG-JTQLQIEISA-N	-1	0	318.362	0.296	20	30		DCEDRM
C#CCCCCNS(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001588345816	1166534392	/nfs/dbraw/zinc/53/43/92/1166534392.db2.gz	LUVWMLLLPBNPRL-UHFFFAOYSA-N	-1	0	306.351	0.344	20	30		DCEDRM
C#CCOCCN(C)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001588362401	1166546144	/nfs/dbraw/zinc/54/61/44/1166546144.db2.gz	DTOZGXXIPMUJTG-UHFFFAOYSA-N	-1	0	301.306	0.294	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1	ZINC001588478006	1166558429	/nfs/dbraw/zinc/55/84/29/1166558429.db2.gz	PHLXYHXYTRPQML-VIFPVBQESA-N	-1	0	316.369	0.207	20	30		DCEDRM
C=CCCC(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1	ZINC001588572266	1166564561	/nfs/dbraw/zinc/56/45/61/1166564561.db2.gz	CJYKBDPBVXVWAS-UHFFFAOYSA-N	-1	0	302.342	0.175	20	30		DCEDRM
C=CCCOCCNS(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001588617921	1166570025	/nfs/dbraw/zinc/57/00/25/1166570025.db2.gz	HXEXZGZGMLSSBC-UHFFFAOYSA-N	-1	0	324.366	0.133	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)c(-c2nn[nH]n2)cn1	ZINC001588726254	1166580876	/nfs/dbraw/zinc/58/08/76/1166580876.db2.gz	WZNVKYGLRSGULX-GWCFXTLKSA-N	-1	0	314.349	0.891	20	30		DCEDRM
C=CCS(=O)(=O)CCNc1nc(C)ccc1-c1nn[nH]n1	ZINC001588688607	1166580948	/nfs/dbraw/zinc/58/09/48/1166580948.db2.gz	LOKBONMFYJSOPS-UHFFFAOYSA-N	-1	0	308.367	0.583	20	30		DCEDRM
CC(C)(CNc1cnc(C#N)c(-c2nnn[n-]2)n1)n1ccnc1	ZINC001589292785	1166645411	/nfs/dbraw/zinc/64/54/11/1166645411.db2.gz	SVSQUCQDAKRUPG-UHFFFAOYSA-N	-1	0	310.325	0.572	20	30		DCEDRM
CC1(C)CC(=O)CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001590080348	1166767513	/nfs/dbraw/zinc/76/75/13/1166767513.db2.gz	KEYBMMBBZPBZRH-UHFFFAOYSA-N	-1	0	312.337	0.724	20	30		DCEDRM
CCC(Cn1cncn1)N=Nc1oc(C)nc1-c1nnn[n-]1	ZINC001590451302	1166910584	/nfs/dbraw/zinc/91/05/84/1166910584.db2.gz	FBSXRUVLIHBTQM-UHFFFAOYSA-N	-1	0	302.302	0.633	20	30		DCEDRM
CC[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)[C@@H](O)C(C)C	ZINC001590473829	1166919608	/nfs/dbraw/zinc/91/96/08/1166919608.db2.gz	SPCXPCJVLKWUDP-UFBFGSQYSA-N	-1	0	302.342	0.736	20	30		DCEDRM
CCN(C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C)[C@H](C)C#N	ZINC001590673058	1166966128	/nfs/dbraw/zinc/96/61/28/1166966128.db2.gz	ZKUOLWODCMCUCB-MRVPVSSYSA-N	-1	0	301.310	0.650	20	30		DCEDRM
CCc1ncncc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001590926503	1167054868	/nfs/dbraw/zinc/05/48/68/1167054868.db2.gz	HXJHZVHHVNGCPP-UHFFFAOYSA-N	-1	0	310.281	0.066	20	30		DCEDRM
CN(C(=O)COC(=O)c1ccc(-c2nnn[n-]2)o1)C(C)(C)C#N	ZINC001590983557	1167066329	/nfs/dbraw/zinc/06/63/29/1167066329.db2.gz	HLWMUJSSPCQGOT-UHFFFAOYSA-N	-1	0	318.293	0.377	20	30		DCEDRM
CO[C@H](Cn1c(N)nc(-c2nnn[n-]2)c1C#N)c1ccccc1	ZINC001591334454	1167220401	/nfs/dbraw/zinc/22/04/01/1167220401.db2.gz	UBMGJGRPQBQZAO-LLVKDONJSA-N	-1	0	310.321	0.905	20	30		DCEDRM
COCc1nc(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)cs1	ZINC001591459993	1167294674	/nfs/dbraw/zinc/29/46/74/1167294674.db2.gz	PXAJPSPXHLWSBS-UHFFFAOYSA-N	-1	0	317.338	0.168	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CCOC[C@H]1CCCO1	ZINC001592335157	1167491144	/nfs/dbraw/zinc/49/11/44/1167491144.db2.gz	MTMPOVLMNZQPLT-SNVBAGLBSA-N	-1	0	303.326	0.439	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1ccc(C(N)=O)cc1	ZINC001592335817	1167494429	/nfs/dbraw/zinc/49/44/29/1167494429.db2.gz	JIZCSTQXIULEMF-UHFFFAOYSA-N	-1	0	308.305	0.391	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccoc2Cl)[n-]c1-c1nn[nH]n1	ZINC001592682231	1167600486	/nfs/dbraw/zinc/60/04/86/1167600486.db2.gz	SYHIQMHSKXJVDI-UHFFFAOYSA-N	-1	0	304.657	0.960	20	30		DCEDRM
Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)NCC#CCO	ZINC001600058605	1168092438	/nfs/dbraw/zinc/09/24/38/1168092438.db2.gz	HRTVZQDUTSMMMH-UHFFFAOYSA-N	-1	0	323.779	0.682	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001600074079	1168111128	/nfs/dbraw/zinc/11/11/28/1168111128.db2.gz	LQOGWBSRWHXKSM-CYBMUJFWSA-N	-1	0	315.329	0.672	20	30		DCEDRM
Cc1cc(CNS(=O)(=O)N(C)[C@H](C)CC#N)oc1C(=O)[O-]	ZINC001600210556	1168138811	/nfs/dbraw/zinc/13/88/11/1168138811.db2.gz	RFSAMFWEJHDHKD-SECBINFHSA-N	-1	0	315.351	0.855	20	30		DCEDRM
Cc1cc(F)ccc1-n1cc(C(=O)N(CC#N)CC(=O)[O-])nn1	ZINC001600232397	1168142695	/nfs/dbraw/zinc/14/26/95/1168142695.db2.gz	ZQHIMOLGDCYEPD-UHFFFAOYSA-N	-1	0	317.280	0.765	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(C#N)c1	ZINC001600474844	1168189421	/nfs/dbraw/zinc/18/94/21/1168189421.db2.gz	BVMBYNJFCXBABR-VXGBXAGGSA-N	-1	0	324.358	0.323	20	30		DCEDRM
Cc1cnc2c(cnn2CC(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001600624777	1168218450	/nfs/dbraw/zinc/21/84/50/1168218450.db2.gz	QFZKAKXPCVTOGK-UHFFFAOYSA-N	-1	0	301.306	0.567	20	30		DCEDRM
Cc1nnc(NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C#N)c1C	ZINC001600798635	1168299403	/nfs/dbraw/zinc/29/94/03/1168299403.db2.gz	PUXMMTCFMUFHHJ-LBPRGKRZSA-N	-1	0	319.365	0.993	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001600821555	1168476226	/nfs/dbraw/zinc/47/62/26/1168476226.db2.gz	BSKBSGVIFOFWLO-SECBINFHSA-N	-1	0	315.289	0.837	20	30		DCEDRM
Cn1c(CC#N)nnc1SCC(=O)N1CCC(C(=O)[O-])CC1	ZINC001600912959	1168504471	/nfs/dbraw/zinc/50/44/71/1168504471.db2.gz	YWENQJRYPIXTEP-UHFFFAOYSA-N	-1	0	323.378	0.296	20	30		DCEDRM
Cn1cc(-c2ncccc2C(=O)N(CC#N)CCC(=O)[O-])cn1	ZINC001600924361	1168511008	/nfs/dbraw/zinc/51/10/08/1168511008.db2.gz	WQTWLLPPZTXOGD-UHFFFAOYSA-N	-1	0	313.317	0.923	20	30		DCEDRM
N#C[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CCCCC1	ZINC001601049275	1168577542	/nfs/dbraw/zinc/57/75/42/1168577542.db2.gz	KLYPQFKPWZOMFL-JTQLQIEISA-N	-1	0	312.351	0.859	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCCCC(=O)NC2CC2)CC1	ZINC001601051366	1168577789	/nfs/dbraw/zinc/57/77/89/1168577789.db2.gz	MPDIQKDGFYPYDA-UHFFFAOYSA-N	-1	0	322.365	0.445	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(CN2C(=O)c3ccccc3C2=O)CC1	ZINC001601052102	1168577899	/nfs/dbraw/zinc/57/78/99/1168577899.db2.gz	KECDKGJPQVCKEN-UHFFFAOYSA-N	-1	0	313.313	0.930	20	30		DCEDRM
N#CC1(NC(=O)CN[C@@H](Cc2cncs2)C(=O)[O-])CCC1	ZINC001601056780	1168578373	/nfs/dbraw/zinc/57/83/73/1168578373.db2.gz	AHLKKOZYKCVOEP-JTQLQIEISA-N	-1	0	308.363	0.291	20	30		DCEDRM
N#CCC(=O)N1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC001601061607	1168578890	/nfs/dbraw/zinc/57/88/90/1168578890.db2.gz	XYPZKYPVCAFOCS-UHFFFAOYSA-N	-1	0	319.277	0.250	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1	ZINC001601057679	1168579330	/nfs/dbraw/zinc/57/93/30/1168579330.db2.gz	DZUROKFOFGPFBT-BMIGLBTASA-N	-1	0	323.324	0.164	20	30		DCEDRM
N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])n1	ZINC001601068456	1168580692	/nfs/dbraw/zinc/58/06/92/1168580692.db2.gz	AVOMTLBAZRZUCY-UWVGGRQHSA-N	-1	0	319.321	0.105	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccc(-n2cncn2)nc1	ZINC001601070326	1168580974	/nfs/dbraw/zinc/58/09/74/1168580974.db2.gz	LEKJPBULFHLNHG-UHFFFAOYSA-N	-1	0	300.278	0.103	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CN1Cc2ccccc2OC1=O	ZINC001601069648	1168580982	/nfs/dbraw/zinc/58/09/82/1168580982.db2.gz	DQMMCTZCTBEUDU-UHFFFAOYSA-N	-1	0	317.301	0.828	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC001601071217	1168581010	/nfs/dbraw/zinc/58/10/10/1168581010.db2.gz	WIZHENOALBCCPR-SFYZADRCSA-N	-1	0	321.255	0.270	20	30		DCEDRM
N#CCCn1ccc(NC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)n1	ZINC001601070743	1168581046	/nfs/dbraw/zinc/58/10/46/1168581046.db2.gz	YLGIFRJDCZZRFL-CBAPKCEASA-N	-1	0	313.264	0.884	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CN1CCc2ccccc2C1=O	ZINC001601069828	1168581266	/nfs/dbraw/zinc/58/12/66/1168581266.db2.gz	QZKPRVSZKIEXPR-UHFFFAOYSA-N	-1	0	301.302	0.122	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)C[C@H]1CC2(CCC2)CO1	ZINC001601071719	1168581320	/nfs/dbraw/zinc/58/13/20/1168581320.db2.gz	AENRBMVUSDNQBC-SNVBAGLBSA-N	-1	0	302.352	0.186	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2CCOC[C@H]2CC(=O)[O-])c1	ZINC001601074186	1168581785	/nfs/dbraw/zinc/58/17/85/1168581785.db2.gz	LKRNFPDARBEJRW-CYBMUJFWSA-N	-1	0	318.329	0.834	20	30		DCEDRM
N#CCOc1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)cc1	ZINC001601073992	1168581826	/nfs/dbraw/zinc/58/18/26/1168581826.db2.gz	GCXPUECRHPADLS-UHFFFAOYSA-N	-1	0	317.301	0.508	20	30		DCEDRM
N#CCOc1cccc(N2C(=O)N[C@H](CCC(=O)[O-])C2=O)c1	ZINC001601076246	1168582455	/nfs/dbraw/zinc/58/24/55/1168582455.db2.gz	YGKKBBFRBLJIRD-LLVKDONJSA-N	-1	0	303.274	0.879	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)c1	ZINC001601085101	1168583438	/nfs/dbraw/zinc/58/34/38/1168583438.db2.gz	MXLGCMYDTABUKY-NSHDSACASA-N	-1	0	305.290	0.509	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])ccc1Cl	ZINC001601090928	1168583984	/nfs/dbraw/zinc/58/39/84/1168583984.db2.gz	ANWCNDHNDNNQIW-QMMMGPOBSA-N	-1	0	318.738	0.326	20	30		DCEDRM
N#Cc1ccc([C@H](C(N)=O)N2CCSC[C@@H](C(=O)[O-])C2)cc1	ZINC001601095489	1168584756	/nfs/dbraw/zinc/58/47/56/1168584756.db2.gz	SHHBFCDKLAFXNQ-QWHCGFSZSA-N	-1	0	319.386	0.834	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@H](CC(=O)[O-])C2CC2)cc1	ZINC001601106754	1168586430	/nfs/dbraw/zinc/58/64/30/1168586430.db2.gz	BBCGBVBHEZJMPG-GFCCVEGCSA-N	-1	0	301.302	0.866	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@@](F)(C#N)C2)c(C(=O)[O-])c1	ZINC001601111859	1168586660	/nfs/dbraw/zinc/58/66/60/1168586660.db2.gz	JWAHBDGGUQUTTO-CYBMUJFWSA-N	-1	0	323.305	0.883	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)[C@H]2CCCS2(=O)=O)C(=O)[O-])c1	ZINC001601117497	1168587217	/nfs/dbraw/zinc/58/72/17/1168587217.db2.gz	BOLIYZOEEYEBRM-NEPJUHHUSA-N	-1	0	323.326	0.804	20	30		DCEDRM
N#Cc1cccc(-c2nnc(CN[C@H]3CCO[C@H]3C(=O)[O-])o2)c1	ZINC001601116371	1168587383	/nfs/dbraw/zinc/58/73/83/1168587383.db2.gz	SNKZKHYGYLWIOI-WCQYABFASA-N	-1	0	314.301	0.940	20	30		DCEDRM
N#Cc1cccc(CC(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)c1	ZINC001601122072	1168588592	/nfs/dbraw/zinc/58/85/92/1168588592.db2.gz	BVBQVEWFRDBIIO-CYBMUJFWSA-N	-1	0	316.313	0.720	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1	ZINC001601121943	1168588897	/nfs/dbraw/zinc/58/88/97/1168588897.db2.gz	ZGYMQXIKCYYXDQ-CYBMUJFWSA-N	-1	0	314.301	0.472	20	30		DCEDRM
N#Cc1cccnc1N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001601128890	1168589708	/nfs/dbraw/zinc/58/97/08/1168589708.db2.gz	ZVDXUXCCWOHTRP-HNNXBMFYSA-N	-1	0	302.334	0.319	20	30		DCEDRM
N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1	ZINC001601130409	1168591793	/nfs/dbraw/zinc/59/17/93/1168591793.db2.gz	OMVAVLQKDWQFQK-CNVPUSNMSA-N	-1	0	315.333	0.376	20	30		DCEDRM
N#Cc1nc(F)ccc1OS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001601134121	1168592338	/nfs/dbraw/zinc/59/23/38/1168592338.db2.gz	JKWAACWMFOAZSF-UHFFFAOYSA-N	-1	0	323.261	0.953	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NC[C@H]1CCCN(C(N)=O)C1	ZINC001601133315	1168592929	/nfs/dbraw/zinc/59/29/29/1168592929.db2.gz	PLJWEMDPEDBXCW-SECBINFHSA-N	-1	0	303.322	0.854	20	30		DCEDRM
O=C(C#CC1CC1)NCCCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CC1	ZINC001601223562	1168666622	/nfs/dbraw/zinc/66/66/22/1168666622.db2.gz	JONLDFOXONGNSV-ZIAGYGMSSA-N	-1	0	318.373	0.618	20	30		DCEDRM
O=C([O-])c1cnc(NC/C=C\CNC(=O)C#CC2CC2)nc1	ZINC001601223163	1168666949	/nfs/dbraw/zinc/66/69/49/1168666949.db2.gz	DBHSTKWERKVUMY-UPHRSURJSA-N	-1	0	300.318	0.673	20	30		DCEDRM
O=C([O-])[C@@H]1CO[C@H](CCC(=O)NCC#C[C@H]2CCCCO2)C1	ZINC001601284184	1168689994	/nfs/dbraw/zinc/68/99/94/1168689994.db2.gz	HAPXTDQYXVXCAN-BFHYXJOUSA-N	-1	0	309.362	0.945	20	30		DCEDRM
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCC#C[C@H]1CCCCO1	ZINC001601449086	1168750394	/nfs/dbraw/zinc/75/03/94/1168750394.db2.gz	VZLOQTVXMMHDDO-JHJVBQTASA-N	-1	0	310.350	0.348	20	30		DCEDRM
C#C[C@@H](C)NC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001602669970	1169155415	/nfs/dbraw/zinc/15/54/15/1169155415.db2.gz	IZLJADZVGBGKFM-PSASIEDQSA-N	-1	0	321.358	0.873	20	30		DCEDRM
C#C[C@H](CO)NC(=O)Nc1ccc(C(=O)[O-])cc1OCCOC	ZINC001602670930	1169155623	/nfs/dbraw/zinc/15/56/23/1169155623.db2.gz	LXEYCAHIHORLHR-LLVKDONJSA-N	-1	0	322.317	0.526	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1CCOCC1	ZINC001602678903	1169157378	/nfs/dbraw/zinc/15/73/78/1169157378.db2.gz	RJOUBGQBAIAJLO-TUAOUCFPSA-N	-1	0	301.364	0.197	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc[nH]c(=O)c1Br)C(=O)[O-]	ZINC001602693602	1169162892	/nfs/dbraw/zinc/16/28/92/1169162892.db2.gz	ZBHBLKGQGRSBCJ-ZETCQYMHSA-N	-1	0	313.107	0.756	20	30		DCEDRM
C#CCCCC(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CCC1	ZINC001602701272	1169164285	/nfs/dbraw/zinc/16/42/85/1169164285.db2.gz	DNUFLGSGKJJZDU-UHFFFAOYSA-N	-1	0	316.361	0.851	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(OC)cc(OC)c1)C(=O)[O-]	ZINC001602698673	1169164606	/nfs/dbraw/zinc/16/46/06/1169164606.db2.gz	QFFJUFUBMBYXGS-LBPRGKRZSA-N	-1	0	313.331	0.459	20	30		DCEDRM
C#CCCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC001602705372	1169165804	/nfs/dbraw/zinc/16/58/04/1169165804.db2.gz	REVGASCFZDTTAN-UHFFFAOYSA-N	-1	0	304.302	0.862	20	30		DCEDRM
C#CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CCN(C(=O)CC)CC1	ZINC001602711363	1169166827	/nfs/dbraw/zinc/16/68/27/1169166827.db2.gz	FLSISCVPLPXAGL-QWHCGFSZSA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001602716050	1169167306	/nfs/dbraw/zinc/16/73/06/1169167306.db2.gz	YXEZPVDHISPAIG-UHFFFAOYSA-N	-1	0	316.288	0.948	20	30		DCEDRM
C#CCN(CC)C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001602719546	1169170425	/nfs/dbraw/zinc/17/04/25/1169170425.db2.gz	PUDXMHJQSIVWIH-UHFFFAOYSA-N	-1	0	318.285	0.534	20	30		DCEDRM
C#CCN(CC(=O)NCc1cccc(-c2nn[nH]n2)c1)C(C)C	ZINC001602719801	1169171060	/nfs/dbraw/zinc/17/10/60/1169171060.db2.gz	HQNVWPUOIHCZCM-UHFFFAOYSA-N	-1	0	312.377	0.827	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001602725782	1169172856	/nfs/dbraw/zinc/17/28/56/1169172856.db2.gz	HUMHTLBCGGXIER-MNOVXSKESA-N	-1	0	320.349	0.472	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001602726435	1169174516	/nfs/dbraw/zinc/17/45/16/1169174516.db2.gz	PXQXUHRYIMEGRK-NXEZZACHSA-N	-1	0	306.322	0.130	20	30		DCEDRM
C#CCOCCNC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1	ZINC001602728294	1169174635	/nfs/dbraw/zinc/17/46/35/1169174635.db2.gz	PXQGQIPWIZZJAK-UHFFFAOYSA-N	-1	0	324.377	0.428	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001602730608	1169175294	/nfs/dbraw/zinc/17/52/94/1169175294.db2.gz	UZTAGLULLJCRIL-QWHCGFSZSA-N	-1	0	303.314	0.606	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)NCC(C)(C)CC(=O)[O-])c1	ZINC001602742352	1169176838	/nfs/dbraw/zinc/17/68/38/1169176838.db2.gz	OKKFSMWLTXNCGC-UHFFFAOYSA-N	-1	0	316.357	0.901	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001602743935	1169177738	/nfs/dbraw/zinc/17/77/38/1169177738.db2.gz	ZNFDONMCRPJTIR-KGLIPLIRSA-N	-1	0	315.325	0.543	20	30		DCEDRM
C=C(C)CCC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001602757553	1169179536	/nfs/dbraw/zinc/17/95/36/1169179536.db2.gz	QEIIOZLKASBXMI-LLVKDONJSA-N	-1	0	304.350	0.966	20	30		DCEDRM
C=C(C)Cn1c(CC(C)(C)O)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602768896	1169181569	/nfs/dbraw/zinc/18/15/69/1169181569.db2.gz	PNHNJOKNPAMTNM-NSHDSACASA-N	-1	0	324.381	0.457	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1	ZINC001602781660	1169182517	/nfs/dbraw/zinc/18/25/17/1169182517.db2.gz	AZIYODSHNZVECP-JTQLQIEISA-N	-1	0	306.322	0.298	20	30		DCEDRM
C=C(Cl)C[C@H]1NC(=O)N(C[C@H]2CCO[C@H]2C(=O)[O-])C1=O	ZINC001602788933	1169184214	/nfs/dbraw/zinc/18/42/14/1169184214.db2.gz	QUHUKHRABYYFFX-IWSPIJDZSA-N	-1	0	302.714	0.539	20	30		DCEDRM
C=C(Cl)C[C@@H]1NC(=O)N(C[C@H]2CCO[C@H]2C(=O)[O-])C1=O	ZINC001602788932	1169185022	/nfs/dbraw/zinc/18/50/22/1169185022.db2.gz	QUHUKHRABYYFFX-HRDYMLBCSA-N	-1	0	302.714	0.539	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)C1	ZINC001602805651	1169186413	/nfs/dbraw/zinc/18/64/13/1169186413.db2.gz	FCFSENDSKVYWTD-RYUDHWBXSA-N	-1	0	320.389	0.980	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C	ZINC001602842178	1169190647	/nfs/dbraw/zinc/19/06/47/1169190647.db2.gz	FLNMGVWVVTXCKN-SECBINFHSA-N	-1	0	324.308	0.824	20	30		DCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001602860664	1169195072	/nfs/dbraw/zinc/19/50/72/1169195072.db2.gz	LEMMZHLVHMLIPJ-UTUOFQBUSA-N	-1	0	312.366	0.548	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1c(C)c(C)nn(C)c1=O)C(=O)[O-]	ZINC001602866104	1169196988	/nfs/dbraw/zinc/19/69/88/1169196988.db2.gz	XAMBOMRBHDXOGS-LLVKDONJSA-N	-1	0	307.350	0.936	20	30		DCEDRM
C=CCCOCCNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001602881179	1169197617	/nfs/dbraw/zinc/19/76/17/1169197617.db2.gz	VDHYEHGLTXGKMZ-NSHDSACASA-N	-1	0	323.353	0.525	20	30		DCEDRM
C=CCN1CC[C@H](N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])C1=O	ZINC001602897660	1169199409	/nfs/dbraw/zinc/19/94/09/1169199409.db2.gz	BWPDFZCDHCGVIR-SDDRHHMPSA-N	-1	0	310.350	0.112	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)C(=O)[O-]	ZINC001602909030	1169202832	/nfs/dbraw/zinc/20/28/32/1169202832.db2.gz	KWPTUUDYOYXLMD-CYBMUJFWSA-N	-1	0	318.329	0.496	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001602924731	1169208570	/nfs/dbraw/zinc/20/85/70/1169208570.db2.gz	DDPKBKHOPSOHLY-SNVBAGLBSA-N	-1	0	322.317	0.592	20	30		DCEDRM
C=CCn1c(-c2ccnn2C)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001602929739	1169211157	/nfs/dbraw/zinc/21/11/57/1169211157.db2.gz	ALRWNLYCVOTFPR-CQSZACIVSA-N	-1	0	320.328	0.868	20	30		DCEDRM
C=CCn1c([C@H](O)/C=C/CC)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602931728	1169211453	/nfs/dbraw/zinc/21/14/53/1169211453.db2.gz	AGXAWLITZQABMP-AIIUZBJTSA-N	-1	0	322.365	0.754	20	30		DCEDRM
C=CCn1c(N2CC[C@](OC)(C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001602937050	1169212333	/nfs/dbraw/zinc/21/23/33/1169212333.db2.gz	NBOAFBQJYWUDNY-CQSZACIVSA-N	-1	0	308.338	0.125	20	30		DCEDRM
C/C(=C\C(=O)[O-])CN1CCN(c2nccnc2C#N)C[C@H]1C	ZINC001602957019	1169219861	/nfs/dbraw/zinc/21/98/61/1169219861.db2.gz	CFDSMECKTBCWTO-YTRUQHMWSA-N	-1	0	301.350	0.890	20	30		DCEDRM
C[C@H](C#N)OCCn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2	ZINC001602989800	1169226529	/nfs/dbraw/zinc/22/65/29/1169226529.db2.gz	SXMAGAOCABGXOP-SECBINFHSA-N	-1	0	300.322	0.446	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@@H](CCNc2ccnc(C(=O)[O-])n2)C1	ZINC001603130434	1169250482	/nfs/dbraw/zinc/25/04/82/1169250482.db2.gz	VRTRLRYEWZCDMI-GHMZBOCLSA-N	-1	0	317.349	0.407	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(C#N)cc1	ZINC001603618407	1169335465	/nfs/dbraw/zinc/33/54/65/1169335465.db2.gz	ZWHDGMGJKOETBB-SECBINFHSA-N	-1	0	323.320	0.207	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(C(=O)[O-])on2)CC1	ZINC001603710954	1169369717	/nfs/dbraw/zinc/36/97/17/1169369717.db2.gz	BKBWDXNFTSEMNK-LLVKDONJSA-N	-1	0	306.322	0.679	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)COC(=O)c1cccc(C#N)n1)C(=O)[O-]	ZINC001603777229	1169385526	/nfs/dbraw/zinc/38/55/26/1169385526.db2.gz	SJHZITSUVKDPAZ-GFCCVEGCSA-N	-1	0	319.317	0.726	20	30		DCEDRM
CC(C)[C@H](NC(=O)Cn1cc2c(c(C#N)c1=O)CCC2)C(=O)[O-]	ZINC001603978717	1169460788	/nfs/dbraw/zinc/46/07/88/1169460788.db2.gz	KHSBMKFJPXBJCU-AWEZNQCLSA-N	-1	0	317.345	0.434	20	30		DCEDRM
C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)C#CC1CC1	ZINC001604142755	1169504779	/nfs/dbraw/zinc/50/47/79/1169504779.db2.gz	WVIAXWCKMRWNAK-JTQLQIEISA-N	-1	0	302.334	0.317	20	30		DCEDRM
C[C@@]([NH2+]Cc1cc(=O)n2[n-]cc(C#N)c2n1)(C(=O)[O-])C1CC1	ZINC001604341344	1169557839	/nfs/dbraw/zinc/55/78/39/1169557839.db2.gz	KEFMWALIBOHCOS-AWEZNQCLSA-N	-1	0	301.306	0.649	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CCO1	ZINC001604484851	1169602042	/nfs/dbraw/zinc/60/20/42/1169602042.db2.gz	UDBSZCRLAYHADO-NSHDSACASA-N	-1	0	316.360	0.749	20	30		DCEDRM
CCC1CCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	ZINC001605166357	1169854279	/nfs/dbraw/zinc/85/42/79/1169854279.db2.gz	LHIVVKKEUBDTRH-UHFFFAOYSA-N	-1	0	321.377	0.852	20	30		DCEDRM
CCc1[nH]c(C(=O)N2CCN(CC#N)CC2)c(C)c1C(=O)[O-]	ZINC001605765959	1169999562	/nfs/dbraw/zinc/99/95/62/1169999562.db2.gz	WVLDJOBYBXNUDR-UHFFFAOYSA-N	-1	0	304.350	0.865	20	30		DCEDRM
CN(C(=O)C(=O)N1CCC[C@@H](CC#N)C1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001605952628	1170033584	/nfs/dbraw/zinc/03/35/84/1170033584.db2.gz	ZZAFOYCIQPUYDE-SDDRHHMPSA-N	-1	0	307.350	0.460	20	30		DCEDRM
Cc1nc(C#N)c(-c2nn[nH]n2)n1CCCN1CCOC1=O	ZINC001606023922	1170054801	/nfs/dbraw/zinc/05/48/01/1170054801.db2.gz	NPXGHWRIJQZXPY-UHFFFAOYSA-N	-1	0	302.298	0.086	20	30		DCEDRM
CN(CCCNc1ccc(C#N)nc1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001606122821	1170085346	/nfs/dbraw/zinc/08/53/46/1170085346.db2.gz	YCFXOVTUPHCDKO-STQMWFEESA-N	-1	0	302.334	0.934	20	30		DCEDRM
CN(CCCNc1ccc(C#N)cn1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001606122309	1170085470	/nfs/dbraw/zinc/08/54/70/1170085470.db2.gz	GOIHZERLDWLHPP-NWDGAFQWSA-N	-1	0	302.334	0.934	20	30		DCEDRM
Cc1noc(C)c1CN(C)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001606131546	1170088631	/nfs/dbraw/zinc/08/86/31/1170088631.db2.gz	GWKBVQPCEBYPCT-UHFFFAOYSA-N	-1	0	311.309	0.770	20	30		DCEDRM
N#CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1	ZINC001606344959	1170163223	/nfs/dbraw/zinc/16/32/23/1170163223.db2.gz	CRRVOZBBTNHFAZ-UHFFFAOYSA-N	-1	0	300.282	0.910	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)C(=O)/C=C/c1ccc(F)cc1	ZINC001606464271	1170214124	/nfs/dbraw/zinc/21/41/24/1170214124.db2.gz	USVXCUIXRRKODT-QPJJXVBHSA-N	-1	0	323.276	0.494	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])OC(=O)COc1ccc(C#N)cc1	ZINC001606501825	1170221813	/nfs/dbraw/zinc/22/18/13/1170221813.db2.gz	OZASCIMUHSEMJU-LLVKDONJSA-N	-1	0	307.258	0.497	20	30		DCEDRM
COC(=O)c1coc(/C=C\C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001606629990	1170248511	/nfs/dbraw/zinc/24/85/11/1170248511.db2.gz	CPFVUSXLCDLFBH-IHWYPQMZSA-N	-1	0	306.274	0.906	20	30		DCEDRM
CO[C@H](CS(=O)(=O)N(CC#N)CC(=O)[O-])c1ccccc1	ZINC001606681764	1170260667	/nfs/dbraw/zinc/26/06/67/1170260667.db2.gz	UVKCUNIJGQMPAH-GFCCVEGCSA-N	-1	0	312.347	0.614	20	30		DCEDRM
CO[C@@H](CS(=O)(=O)N(CC#N)CC(=O)[O-])c1ccccc1	ZINC001606681765	1170261389	/nfs/dbraw/zinc/26/13/89/1170261389.db2.gz	UVKCUNIJGQMPAH-LBPRGKRZSA-N	-1	0	312.347	0.614	20	30		DCEDRM
COc1ccc(S(=O)(=O)N[C@@H](C)C#N)c(OC)c1C(=O)[O-]	ZINC001607286735	1170423922	/nfs/dbraw/zinc/42/39/22/1170423922.db2.gz	AJYUJMTZZBQNET-ZETCQYMHSA-N	-1	0	314.319	0.592	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C=Cc3cccnc3)C2)c(=O)[n-]c1=O	ZINC001607490027	1170466061	/nfs/dbraw/zinc/46/60/61/1170466061.db2.gz	SXBCRKMXJMPUTA-ONEGZZNKSA-N	-1	0	323.312	0.312	20	30		DCEDRM
Cc1c(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cnn1CCC#N	ZINC001607505655	1170469861	/nfs/dbraw/zinc/46/98/61/1170469861.db2.gz	PRVWDIOKAKDUQX-VXGBXAGGSA-N	-1	0	306.322	0.155	20	30		DCEDRM
Cc1cc(S(=O)(=O)N(CC#N)CC(=O)[O-])c([N+](=O)[O-])s1	ZINC001607703564	1170497827	/nfs/dbraw/zinc/49/78/27/1170497827.db2.gz	RDCLPOZVNCIACR-UHFFFAOYSA-N	-1	0	319.320	0.564	20	30		DCEDRM
Cc1nsc(N(C)C(=O)Cn2ccc(C(=O)[O-])n2)c1C#N	ZINC001608029828	1170552633	/nfs/dbraw/zinc/55/26/33/1170552633.db2.gz	CHMNQXOOBGRTRV-UHFFFAOYSA-N	-1	0	305.319	0.881	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCC[C@H]2CCO)CC1	ZINC001608171051	1170608148	/nfs/dbraw/zinc/60/81/48/1170608148.db2.gz	DVZPWQNNCMZNGN-NWDGAFQWSA-N	-1	0	309.366	0.937	20	30		DCEDRM
N#CC1(CNC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCOCC1	ZINC001608174863	1170609362	/nfs/dbraw/zinc/60/93/62/1170609362.db2.gz	FKECGDBQWYTCCY-ZETOZRRWSA-N	-1	0	307.350	0.859	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2CCOC2)CC1	ZINC001608174568	1170609452	/nfs/dbraw/zinc/60/94/52/1170609452.db2.gz	RHLZZBPSGAPDQT-JTQLQIEISA-N	-1	0	302.352	0.043	20	30		DCEDRM
N#C[C@]1(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)CCCOC1	ZINC001608172598	1170609566	/nfs/dbraw/zinc/60/95/66/1170609566.db2.gz	ZAEZJOQJIYFQBT-MEBBXXQBSA-N	-1	0	318.333	0.853	20	30		DCEDRM
N#CCCCCCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC001608180610	1170610982	/nfs/dbraw/zinc/61/09/82/1170610982.db2.gz	VJDZPSMFZUNGJQ-NSHDSACASA-N	-1	0	316.379	0.561	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1scnc1Br	ZINC001608184243	1170611969	/nfs/dbraw/zinc/61/19/69/1170611969.db2.gz	VCZKWJPSPKJPCA-UHFFFAOYSA-N	-1	0	304.125	0.956	20	30		DCEDRM
N#CCn1cc(NC(=O)CCCn2ccc(C(=O)[O-])n2)cn1	ZINC001608190520	1170612543	/nfs/dbraw/zinc/61/25/43/1170612543.db2.gz	SCZREJRXWFUQHI-UHFFFAOYSA-N	-1	0	302.294	0.720	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001608188923	1170612641	/nfs/dbraw/zinc/61/26/41/1170612641.db2.gz	QCAAPUFBAKLPKA-STQMWFEESA-N	-1	0	318.329	0.425	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1	ZINC001608188649	1170613048	/nfs/dbraw/zinc/61/30/48/1170613048.db2.gz	ZOQPGADDDQEVFN-UONOGXRCSA-N	-1	0	323.393	0.751	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@H]2C(=O)[O-])cc1	ZINC001608206318	1170614890	/nfs/dbraw/zinc/61/48/90/1170614890.db2.gz	UDICXLNAJGQNBU-LBPRGKRZSA-N	-1	0	322.342	0.159	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)cc1F	ZINC001608206088	1170614899	/nfs/dbraw/zinc/61/48/99/1170614899.db2.gz	PLJSUOPDBSHXNL-UHFFFAOYSA-N	-1	0	305.265	0.759	20	30		DCEDRM
N#Cc1ccc(CC(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])cn1	ZINC001608204172	1170614986	/nfs/dbraw/zinc/61/49/86/1170614986.db2.gz	VRNZJNKYYUCJGF-TZMCWYRMSA-N	-1	0	317.345	0.882	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@H](C(=O)[O-])c2ccccn2)nc1	ZINC001608209030	1170615871	/nfs/dbraw/zinc/61/58/71/1170615871.db2.gz	UGRBPURTDSCHEC-AWEZNQCLSA-N	-1	0	311.301	0.702	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1	ZINC001608208712	1170616351	/nfs/dbraw/zinc/61/63/51/1170616351.db2.gz	LVUXJENGVWNEOL-CYBMUJFWSA-N	-1	0	313.317	0.505	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)Oc2cnccc2C(=O)[O-])cn1	ZINC001608213574	1170617016	/nfs/dbraw/zinc/61/70/16/1170617016.db2.gz	SBOAGQCJNASNBU-UHFFFAOYSA-N	-1	0	305.271	0.814	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)NC[C@@H](CC2CC2)C(=O)[O-])n1	ZINC001608217140	1170617028	/nfs/dbraw/zinc/61/70/28/1170617028.db2.gz	NODFOYUSGAKQDT-SNVBAGLBSA-N	-1	0	316.317	0.509	20	30		DCEDRM
N#Cc1ccccc1OCCN1[C@H](C(=O)[O-])CCS1(=O)=O	ZINC001608219438	1170618459	/nfs/dbraw/zinc/61/84/59/1170618459.db2.gz	VVIGMNMMXSYWPY-NSHDSACASA-N	-1	0	310.331	0.426	20	30		DCEDRM
N#Cc1ccccc1OC[C@@H](O)CN1CCOC[C@@H]1C(=O)[O-]	ZINC001608219342	1170618761	/nfs/dbraw/zinc/61/87/61/1170618761.db2.gz	QQSBLLKAVDZVOM-QWHCGFSZSA-N	-1	0	306.318	0.083	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)C(=O)[O-]	ZINC001609076536	1170800190	/nfs/dbraw/zinc/80/01/90/1170800190.db2.gz	PMPCZRDKKGLBOV-DGCLKSJQSA-N	-1	0	306.362	0.760	20	30		DCEDRM
C#CCC(CC#C)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001609076754	1170801074	/nfs/dbraw/zinc/80/10/74/1170801074.db2.gz	WRLYEMWLNQOANI-ZDUSSCGKSA-N	-1	0	314.345	0.803	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)CC)c1)C(=O)[O-]	ZINC001609079147	1170802070	/nfs/dbraw/zinc/80/20/70/1170802070.db2.gz	ZPVUWSUYTNVBTL-LBPRGKRZSA-N	-1	0	309.343	0.687	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC001609105123	1170809608	/nfs/dbraw/zinc/80/96/08/1170809608.db2.gz	KOEVHXRLSBCRKT-SECBINFHSA-N	-1	0	301.320	0.339	20	30		DCEDRM
CCCCc1noc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)n1	ZINC001609211462	1170871969	/nfs/dbraw/zinc/87/19/69/1170871969.db2.gz	HBDFCJXAWSJZGS-UHFFFAOYSA-N	-1	0	314.313	0.291	20	30		DCEDRM
C=C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)C(=O)[O-]	ZINC001609287433	1170913069	/nfs/dbraw/zinc/91/30/69/1170913069.db2.gz	QEQQKGJTZWLFNQ-HTQZYQBOSA-N	-1	0	318.376	0.778	20	30		DCEDRM
C=C[C@@H](O)C(=O)OCc1c(C(=O)[O-])sc(N)c1C(=O)OC	ZINC001609287586	1170913092	/nfs/dbraw/zinc/91/30/92/1170913092.db2.gz	WCQAXRWCNRROBF-ZCFIWIBFSA-N	-1	0	315.303	0.405	20	30		DCEDRM
COc1ccc(O)c(C=NCCn2cnc(-c3nnn[n-]3)n2)c1	ZINC001609358329	1170948930	/nfs/dbraw/zinc/94/89/30/1170948930.db2.gz	QTBRADIMPFSKHA-VGOFMYFVSA-N	-1	0	314.309	0.292	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cn1c(=O)oc2ccccc21)C(=O)[O-]	ZINC001609442929	1170978127	/nfs/dbraw/zinc/97/81/27/1170978127.db2.gz	LIQYYEPQLOLJRW-JTQLQIEISA-N	-1	0	320.301	0.367	20	30		DCEDRM
C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001609470297	1170989989	/nfs/dbraw/zinc/98/99/89/1170989989.db2.gz	NFUXJBGWRYXYKO-TUAOUCFPSA-N	-1	0	322.365	0.646	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1cc(Br)no1	ZINC001609496863	1170996674	/nfs/dbraw/zinc/99/66/74/1170996674.db2.gz	KXNUAMHGPHRSBU-UHFFFAOYSA-N	-1	0	321.098	0.734	20	30		DCEDRM
CC#CCNC(=O)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC001609495667	1170997851	/nfs/dbraw/zinc/99/78/51/1170997851.db2.gz	FTRRSLFDBGLNQW-UHFFFAOYSA-N	-1	0	304.302	0.609	20	30		DCEDRM
CC[C@@](C)(NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001609896511	1171117561	/nfs/dbraw/zinc/11/75/61/1171117561.db2.gz	PGVUDYGXAROCCF-XMXAVACDSA-N	-1	0	309.322	0.272	20	30		DCEDRM
CCN1CCN(C(=O)[C@@H](C)N2CCC(C#N)(C(=O)[O-])CC2)CC1	ZINC001610007166	1171136926	/nfs/dbraw/zinc/13/69/26/1171136926.db2.gz	LKUUPYNYDTXMHB-CYBMUJFWSA-N	-1	0	322.409	0.229	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2ccc(C#N)nc2)[C@H](C(=O)[O-])C1	ZINC001610172173	1171186379	/nfs/dbraw/zinc/18/63/79/1171186379.db2.gz	SCTVRJIZVDMUGL-CABZTGNLSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)c1occc1Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001610221775	1171199830	/nfs/dbraw/zinc/19/98/30/1171199830.db2.gz	IPRKYWQMXUBBLO-UHFFFAOYSA-N	-1	0	302.242	0.846	20	30		DCEDRM
COCc1cc(NC(=O)Cn2cnc(C#N)n2)cc(C(=O)[O-])c1	ZINC001610268424	1171213605	/nfs/dbraw/zinc/21/36/05/1171213605.db2.gz	GVKDEHHFJIFEEV-UHFFFAOYSA-N	-1	0	315.289	0.633	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])C1	ZINC001610620673	1171270317	/nfs/dbraw/zinc/27/03/17/1171270317.db2.gz	KZZBHKMNQFRLSM-WZRBSPASSA-N	-1	0	316.379	0.310	20	30		DCEDRM
N#CCN1CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1	ZINC001610623124	1171271671	/nfs/dbraw/zinc/27/16/71/1171271671.db2.gz	RBKGMGKSVADSFY-UHFFFAOYSA-N	-1	0	323.374	0.144	20	30		DCEDRM
N#CCN(CCC(=O)NCC(=O)c1ccccc1)CC(=O)[O-]	ZINC001610623143	1171271799	/nfs/dbraw/zinc/27/17/99/1171271799.db2.gz	RJUIRJBHCACDFJ-UHFFFAOYSA-N	-1	0	303.318	0.286	20	30		DCEDRM
N#Cc1cnn2ccn(Cc3noc(CCCC(=O)[O-])n3)c12	ZINC001610634057	1171273653	/nfs/dbraw/zinc/27/36/53/1171273653.db2.gz	IMIGQTAPVAGULG-UHFFFAOYSA-N	-1	0	300.278	0.846	20	30		DCEDRM
O=C([O-])c1cc(C=NNS(=O)(=O)CCc2ccccc2)on1	ZINC001610811123	1171332653	/nfs/dbraw/zinc/33/26/53/1171332653.db2.gz	NILMOOXZNXQQEQ-UHFFFAOYSA-N	-1	0	323.330	0.869	20	30		DCEDRM
O=C([O-])c1cncnc1NCCNC(=O)C1N=CC=CC1=O	ZINC001610884187	1171347819	/nfs/dbraw/zinc/34/78/19/1171347819.db2.gz	MRVSTWOGJSPPJN-ZRDIBKRKSA-N	-1	0	303.278	0.113	20	30		DCEDRM
C#C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccc(Cl)cc1F	ZINC001623825404	1171444154	/nfs/dbraw/zinc/44/41/54/1171444154.db2.gz	FLCYLZGRXFRNLR-JTQLQIEISA-N	-1	0	324.699	0.973	20	30		DCEDRM
CC[C@@H](C#N)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001633227805	1171636924	/nfs/dbraw/zinc/63/69/24/1171636924.db2.gz	KEQUJFMPZKOHSD-JTQLQIEISA-N	-1	0	300.322	0.604	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC001637990236	1171784266	/nfs/dbraw/zinc/78/42/66/1171784266.db2.gz	PUCJPHXXDXGCFB-NSHDSACASA-N	-1	0	303.293	0.831	20	30		DCEDRM
C=CCn1cc(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)nn1	ZINC001638491762	1171799232	/nfs/dbraw/zinc/79/92/32/1171799232.db2.gz	NYWYHJMYEUHKCI-UHFFFAOYSA-N	-1	0	300.278	0.636	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC001639691180	1171848242	/nfs/dbraw/zinc/84/82/42/1171848242.db2.gz	PPKSYDKDSQERFF-UHFFFAOYSA-N	-1	0	319.273	0.815	20	30		DCEDRM
CC(=Cc1ccco1)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001641033561	1171904509	/nfs/dbraw/zinc/90/45/09/1171904509.db2.gz	DLWALLLUMKDWKY-YFHOEESVSA-N	-1	0	314.301	0.633	20	30		DCEDRM
Cc1nn(C)c2cc(Nc3[n-]c(=O)n(C)c(=O)c3C#N)ccc12	ZINC001642713520	1171953690	/nfs/dbraw/zinc/95/36/90/1171953690.db2.gz	TWEHJDOOFKDSEI-UHFFFAOYSA-N	-1	0	310.317	0.884	20	30		DCEDRM
C=CCOc1ccc(CC(=O)N[C@H](COC)c2nnn[n-]2)cc1	ZINC001645319238	1172036703	/nfs/dbraw/zinc/03/67/03/1172036703.db2.gz	CJPRISPOCNEJOW-CYBMUJFWSA-N	-1	0	317.349	0.811	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)nc1	ZINC001646099476	1172252884	/nfs/dbraw/zinc/25/28/84/1172252884.db2.gz	VFSOOXRNLCXATH-UHFFFAOYSA-N	-1	0	312.251	0.704	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@@](C)(C(F)(F)F)C2)c(C#N)c1=O	ZINC001647630482	1173007474	/nfs/dbraw/zinc/00/74/74/1173007474.db2.gz	FVQMTKOCPSXMDN-LLVKDONJSA-N	-1	0	302.256	0.724	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2C[C@@H](C)OC2=O)cc1C#N	ZINC001649868604	1173273176	/nfs/dbraw/zinc/27/31/76/1173273176.db2.gz	MXKIUYGFWFXWHV-MUWHJKNJSA-N	-1	0	307.331	0.815	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@@H](O)[C@@H]2CCCO2)cc1C#N	ZINC001649927165	1173313787	/nfs/dbraw/zinc/31/37/87/1173313787.db2.gz	MJNCWGNCFZFHQY-MNOVXSKESA-N	-1	0	323.374	0.650	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCOC3(CCCCC3)C2)c(C#N)c1=O	ZINC001650228595	1173525616	/nfs/dbraw/zinc/52/56/16/1173525616.db2.gz	QENTXHRVXNDRNA-UHFFFAOYSA-N	-1	0	304.350	0.485	20	30		DCEDRM
O=C(C=Cc1ccc(F)cc1)C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001650857688	1173734100	/nfs/dbraw/zinc/73/41/00/1173734100.db2.gz	GNZQXZKLKQBBDI-ZTYXWKCZSA-N	-1	0	315.308	0.937	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2cnn(Cc3ccccn3)c2)c(C#N)c1=O	ZINC001651473441	1173748943	/nfs/dbraw/zinc/74/89/43/1173748943.db2.gz	YHHFGENICYYHSQ-UHFFFAOYSA-N	-1	0	323.316	0.329	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2nnc(-c3ccccc3)s2)c1=O	ZINC001652909754	1173778532	/nfs/dbraw/zinc/77/85/32/1173778532.db2.gz	XXUPWASCEYGDIC-UHFFFAOYSA-N	-1	0	311.326	0.975	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2c[nH]c3ccc(F)cc32)c1=O	ZINC001652909407	1173778928	/nfs/dbraw/zinc/77/89/28/1173778928.db2.gz	QGAZLTCZTAKKEJ-UHFFFAOYSA-N	-1	0	312.260	0.912	20	30		DCEDRM
Cc1nc(C)c(CC(=O)NC[C@H]2C[C@@H](NCC#N)C2)c(=O)[nH]1	ZINC001656176150	1173849068	/nfs/dbraw/zinc/84/90/68/1173849068.db2.gz	PWSWXJRQEIBIQH-TXEJJXNPSA-N	-1	0	303.366	0.350	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)OCC	ZINC001665293812	1174501802	/nfs/dbraw/zinc/50/18/02/1174501802.db2.gz	LESIYFMNASPJOJ-GFCCVEGCSA-N	-1	0	323.397	0.430	20	30		DCEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H]1CCN(CC#CCOC)C1	ZINC001665708995	1174555079	/nfs/dbraw/zinc/55/50/79/1174555079.db2.gz	GPTQEXPGGFRJEC-ZDUSSCGKSA-N	-1	0	320.393	0.610	20	30		DCEDRM
C#CCN(C(=O)[C@@H](C)C#N)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001671464908	1175012840	/nfs/dbraw/zinc/01/28/40/1175012840.db2.gz	CNXIGKPHZJPXAZ-NSHDSACASA-N	-1	0	316.365	0.096	20	30		DCEDRM
C=C(C)COCCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001680423371	1175816145	/nfs/dbraw/zinc/81/61/45/1175816145.db2.gz	BEPGGAZEEMJXAA-NSHDSACASA-N	-1	0	309.370	0.992	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1CCN(C(=O)c2cnc[nH]c2=O)C1	ZINC001687907361	1175876963	/nfs/dbraw/zinc/87/69/63/1175876963.db2.gz	MXNHYCMLEUPNGO-NSHDSACASA-N	-1	0	320.349	0.106	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001689297113	1176804500	/nfs/dbraw/zinc/80/45/00/1176804500.db2.gz	GGJZHWIXLJJUCX-LLYBFZRZSA-N	-1	0	322.365	0.153	20	30		DCEDRM
CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H](C)CO2)n1	ZINC001692131153	1177422515	/nfs/dbraw/zinc/42/25/15/1177422515.db2.gz	ZYXIGUIZANFIKO-AAEUAGOBSA-N	-1	0	318.377	0.336	20	30		DCEDRM
N#CCNC[C@H]1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001700901763	1178797214	/nfs/dbraw/zinc/79/72/14/1178797214.db2.gz	ADBPAMKZNNATFQ-QWRGUYRKSA-N	-1	0	314.349	0.034	20	30		DCEDRM
CN(CCOCCNCC#N)C(=O)c1cc(=O)[nH]c(C2CC2)n1	ZINC001701038075	1178893616	/nfs/dbraw/zinc/89/36/16/1178893616.db2.gz	WCJMKLUTGMJMKS-UHFFFAOYSA-N	-1	0	319.365	0.261	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CC[C@H](NC(=O)c2cn[nH]n2)CC1	ZINC001704740546	1180123264	/nfs/dbraw/zinc/12/32/64/1180123264.db2.gz	PLHXXZLCMSYRRD-HAQNSBGRSA-N	-1	0	303.366	0.765	20	30		DCEDRM
C#CCN(C(=O)CC1CC1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001716801616	1182529830	/nfs/dbraw/zinc/52/98/30/1182529830.db2.gz	NZWBGHWJVCLFLF-UHFFFAOYSA-N	-1	0	317.393	0.737	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)CSCC#N)c1[O-]	ZINC001722007124	1184135553	/nfs/dbraw/zinc/13/55/53/1184135553.db2.gz	PHZVVFAUXFCSEZ-VIFPVBQESA-N	-1	0	323.378	0.011	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2(CNC(=O)CSCC#N)CC2)c1[O-]	ZINC001722056805	1184155024	/nfs/dbraw/zinc/15/50/24/1184155024.db2.gz	SMNOASCQNSHFKM-UHFFFAOYSA-N	-1	0	323.378	0.059	20	30		DCEDRM
CC(C)C#CC(=O)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001733294287	1186215165	/nfs/dbraw/zinc/21/51/65/1186215165.db2.gz	HMEGLAQAKJHSBI-MRXNPFEDSA-N	-1	0	317.393	0.594	20	30		DCEDRM
C=CCOCCN1CCOC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001733700913	1186405534	/nfs/dbraw/zinc/40/55/34/1186405534.db2.gz	YXUKLUROGPRDJH-GFCCVEGCSA-N	-1	0	324.381	0.057	20	30		DCEDRM
O=C(C#CC1CC1)NC[C@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001734099003	1186545627	/nfs/dbraw/zinc/54/56/27/1186545627.db2.gz	GGYBPFDXAIIACZ-CYBMUJFWSA-N	-1	0	317.393	0.785	20	30		DCEDRM
CC[C@@H](CNC(=O)C#CC1CC1)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001738119713	1187479260	/nfs/dbraw/zinc/47/92/60/1187479260.db2.gz	GWYQHPMPFSHKEZ-NSHDSACASA-N	-1	0	304.350	0.462	20	30		DCEDRM
C=CCO[C@H](C)C(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001747449450	1188266596	/nfs/dbraw/zinc/26/65/96/1188266596.db2.gz	DLYPVFNUKWQUFG-WCBMZHEXSA-N	-1	0	310.354	0.249	20	30		DCEDRM
CC#CCCCC(=O)NCC1(NC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001747839550	1188306190	/nfs/dbraw/zinc/30/61/90/1188306190.db2.gz	GIBWAWCTVSKQAU-UHFFFAOYSA-N	-1	0	318.377	0.996	20	30		DCEDRM
C=C(Cl)CN(C)CCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001752077698	1188385632	/nfs/dbraw/zinc/38/56/32/1188385632.db2.gz	KVUFPJIHEZTHOM-UHFFFAOYSA-N	-1	0	323.784	0.827	20	30		DCEDRM
CCN(C(=O)CSCC#N)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001753452225	1188600049	/nfs/dbraw/zinc/60/00/49/1188600049.db2.gz	UZMAXVRTCKXGLI-SNVBAGLBSA-N	-1	0	324.410	0.190	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001755139372	1189033714	/nfs/dbraw/zinc/03/37/14/1189033714.db2.gz	WCYUSCCVDXAGQI-LBPRGKRZSA-N	-1	0	319.409	0.886	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1	ZINC001755165016	1189041526	/nfs/dbraw/zinc/04/15/26/1189041526.db2.gz	CWMBXHMUYUMTCQ-RYUDHWBXSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N1CC(CCO)(NC(=O)c2cn[nH]n2)C1	ZINC001756084632	1189292252	/nfs/dbraw/zinc/29/22/52/1189292252.db2.gz	CNUVCUDDUCBFKW-CQSZACIVSA-N	-1	0	321.381	0.100	20	30		DCEDRM
COCc1cc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)ccc1F	ZINC001772112433	1190610315	/nfs/dbraw/zinc/61/03/15/1190610315.db2.gz	AVVGDOSGXUQQJI-UHFFFAOYSA-N	-1	0	318.308	0.843	20	30		DCEDRM
COCCN(c1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H]1CC[C@@H](C)C1	ZINC001772117578	1190611478	/nfs/dbraw/zinc/61/14/78/1190611478.db2.gz	PIKXNLFIKHUKFV-GHMZBOCLSA-N	-1	0	306.366	0.587	20	30		DCEDRM
COC[C@@H]1CCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2C)C1	ZINC001772155052	1190616270	/nfs/dbraw/zinc/61/62/70/1190616270.db2.gz	NBUAXMRRRAMDOQ-SNVBAGLBSA-N	-1	0	314.349	0.927	20	30		DCEDRM
COC[C@H]1CCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2C)C1	ZINC001772155051	1190616365	/nfs/dbraw/zinc/61/63/65/1190616365.db2.gz	NBUAXMRRRAMDOQ-JTQLQIEISA-N	-1	0	314.349	0.927	20	30		DCEDRM
C[C@@H](C[C@H](C)Nc1cncc(C#N)n1)NC(=O)c1cn[nH]n1	ZINC001089509155	751422433	/nfs/dbraw/zinc/42/24/33/751422433.db2.gz	RVPYAUJQXDVUAD-IUCAKERBSA-N	-1	0	300.326	0.475	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNc2cnc(C#N)cn2)c1[O-]	ZINC001107126157	751876729	/nfs/dbraw/zinc/87/67/29/751876729.db2.gz	HJRKVEIWJTYKAK-IHWYPQMZSA-N	-1	0	313.321	0.484	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNc2nccnc2C#N)c1[O-]	ZINC001104532143	747691931	/nfs/dbraw/zinc/69/19/31/747691931.db2.gz	UYMSDONAMMOKNA-QMMMGPOBSA-N	-1	0	315.337	0.658	20	30		DCEDRM
CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC001149297190	748521044	/nfs/dbraw/zinc/52/10/44/748521044.db2.gz	IWIXRAPQBLBTEQ-VIFPVBQESA-N	-1	0	323.353	0.433	20	30		DCEDRM
C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001046253388	753590027	/nfs/dbraw/zinc/59/00/27/753590027.db2.gz	XKJMYOGMWKHMHW-AWEZNQCLSA-N	-1	0	315.337	0.104	20	30		DCEDRM
C=C(Cl)CN1CC[C@@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001046449510	753727305	/nfs/dbraw/zinc/72/73/05/753727305.db2.gz	GRQPKAJAPBTBMN-GFCCVEGCSA-N	-1	0	313.745	0.230	20	30		DCEDRM
O=C(C#CC1CC1)N1CCC[C@@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001049466539	755276093	/nfs/dbraw/zinc/27/60/93/755276093.db2.gz	GCNDYOKUKVYIBB-OLZOCXBDSA-N	-1	0	315.377	0.489	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)N(C)c2ccc(C#N)nc2)c1[O-]	ZINC001113551714	762380818	/nfs/dbraw/zinc/38/08/18/762380818.db2.gz	NFKZGSDZWYEGBQ-VIFPVBQESA-N	-1	0	314.349	0.945	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2cc(C)ncc2C#N)c1[O-]	ZINC001097803502	755749651	/nfs/dbraw/zinc/74/96/51/755749651.db2.gz	HTKHSWJBJOETGH-SECBINFHSA-N	-1	0	314.349	0.651	20	30		DCEDRM
C#CCCCC(=O)N1CC(N(CC)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001079611651	755926502	/nfs/dbraw/zinc/92/65/02/755926502.db2.gz	JACKFDGMTPDVAW-UHFFFAOYSA-N	-1	0	318.377	0.900	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCN(c3cncc(C#N)n3)CC2)c1[O-]	ZINC001055776039	756913140	/nfs/dbraw/zinc/91/31/40/756913140.db2.gz	RGZZKRDXBXEXED-UHFFFAOYSA-N	-1	0	313.321	0.048	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2OC)C1	ZINC001082111144	756931248	/nfs/dbraw/zinc/93/12/48/756931248.db2.gz	UCCFMRKKZBIRKG-GHMZBOCLSA-N	-1	0	321.381	0.182	20	30		DCEDRM
CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1c[nH]c(C#N)c1	ZINC001085556384	759044831	/nfs/dbraw/zinc/04/48/31/759044831.db2.gz	PBGXDCMKMZJDEJ-LLVKDONJSA-N	-1	0	315.337	0.057	20	30		DCEDRM
CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1c[nH]c(C#N)c1	ZINC001085556385	759045107	/nfs/dbraw/zinc/04/51/07/759045107.db2.gz	PBGXDCMKMZJDEJ-NSHDSACASA-N	-1	0	315.337	0.057	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CNc2ccncc2C#N)c1[O-]	ZINC001108311551	760372026	/nfs/dbraw/zinc/37/20/26/760372026.db2.gz	HCAJVUWTTHSSCG-QMMMGPOBSA-N	-1	0	300.322	0.343	20	30		DCEDRM
N#CCN[C@@H]1CC[C@H](CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001086852755	768079697	/nfs/dbraw/zinc/07/96/97/768079697.db2.gz	QPZLVZKKADKIPG-VHSXEESVSA-N	-1	0	315.333	0.940	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001099947201	763153789	/nfs/dbraw/zinc/15/37/89/763153789.db2.gz	RUHLABXLVFUHKK-QWRGUYRKSA-N	-1	0	323.397	0.164	20	30		DCEDRM
CCOC([O-])=NC(=S)N=c1[nH]cccc1N[C@H](C#N)C(N)=O	ZINC001170542859	763665326	/nfs/dbraw/zinc/66/53/26/763665326.db2.gz	RANNAXRGTFGTKT-MRVPVSSYSA-N	-1	0	322.350	0.314	20	30		DCEDRM
CC(C)(C)C#CC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001147540994	767770467	/nfs/dbraw/zinc/77/04/67/767770467.db2.gz	DWSDTEXLLXWGMU-UHFFFAOYSA-N	-1	0	317.393	0.594	20	30		DCEDRM
COC(=O)Cc1ccc(OC(=O)[C@H](O)CC(=O)[O-])cc1C#N	ZINC001231029455	769154616	/nfs/dbraw/zinc/15/46/16/769154616.db2.gz	BXMOREZRPZKWNP-LLVKDONJSA-N	-1	0	307.258	0.015	20	30		DCEDRM
C#C[C@@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)[C@@H](CC)CCCC	ZINC001234377032	769640831	/nfs/dbraw/zinc/64/08/31/769640831.db2.gz	WYJVWBKWKOTESU-VHSXEESVSA-N	-1	0	306.314	0.306	20	30		DCEDRM
N#C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)C(N)=O	ZINC001184528961	771794604	/nfs/dbraw/zinc/79/46/04/771794604.db2.gz	LLCMQILPRRYVOB-VIFPVBQESA-N	-1	0	322.173	0.790	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1c(C)c([N+](=O)[O-])cc[n+]1[O-]	ZINC001158971002	771841124	/nfs/dbraw/zinc/84/11/24/771841124.db2.gz	CHPXVEWVPHPPLU-UHFFFAOYSA-N	-1	0	318.249	0.963	20	30		DCEDRM
CN(Cc1cc(F)c(F)c(F)c1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001185940383	771973039	/nfs/dbraw/zinc/97/30/39/771973039.db2.gz	UYNDZMDNFHQXMJ-UHFFFAOYSA-N	-1	0	324.262	0.999	20	30		DCEDRM
N#Cc1cnn(-c2ccccn2)c1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187731988	772210947	/nfs/dbraw/zinc/21/09/47/772210947.db2.gz	SHSRXXXNVDBGTG-UHFFFAOYSA-N	-1	0	315.318	0.663	20	30		DCEDRM
COC1(OC)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C[C@H]1O	ZINC001162904700	772430107	/nfs/dbraw/zinc/43/01/07/772430107.db2.gz	JHTJNGUOQOINBB-LLVKDONJSA-N	-1	0	321.333	0.163	20	30		DCEDRM
Cn1cc(NC(=O)c2ccccc2S(=O)(=O)[O-])c(C#N)n1	ZINC001189679453	772512172	/nfs/dbraw/zinc/51/21/72/772512172.db2.gz	RDPNNOMAGUMBNB-UHFFFAOYSA-N	-1	0	306.303	0.791	20	30		DCEDRM
COc1nc(S(=O)(=O)[N-]c2ccnc(C#N)c2)ccc1F	ZINC001190062482	772580893	/nfs/dbraw/zinc/58/08/93/772580893.db2.gz	ABRXKPZQHVQIRW-UHFFFAOYSA-N	-1	0	308.294	0.719	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1	ZINC001190075768	772584827	/nfs/dbraw/zinc/58/48/27/772584827.db2.gz	FINMNVGSRWJCLF-NSHDSACASA-N	-1	0	305.382	0.593	20	30		DCEDRM
C=CC[C@@H]([N-]S(=O)(=O)c1ncc(F)cc1F)C(=O)OC	ZINC001190205350	772606649	/nfs/dbraw/zinc/60/66/49/772606649.db2.gz	RAMMKZKSJWLNOU-SECBINFHSA-N	-1	0	306.290	0.756	20	30		DCEDRM
N#Cc1cccc(N2CCN(S(=O)(=O)c3ncc[n-]3)CC2)c1	ZINC001190714877	772661190	/nfs/dbraw/zinc/66/11/90/772661190.db2.gz	PZIUCRCLUARFFA-UHFFFAOYSA-N	-1	0	317.374	0.792	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]c2ncnc3c2ncn3CCO)CC1	ZINC001190773057	772676350	/nfs/dbraw/zinc/67/63/50/772676350.db2.gz	PRROZRXCGDGAON-UHFFFAOYSA-N	-1	0	323.378	0.669	20	30		DCEDRM
C#C[C@H]1CCCN(c2ccc(S(=O)(=O)[N-]C(C)=O)cn2)C1	ZINC001167006931	772898477	/nfs/dbraw/zinc/89/84/77/772898477.db2.gz	HUNWKIKTASTCMM-LBPRGKRZSA-N	-1	0	307.375	0.756	20	30		DCEDRM
COC(=O)c1ccc([O-])c(C(=O)NC2(C#N)CCOCC2)c1	ZINC001192400357	772918863	/nfs/dbraw/zinc/91/88/63/772918863.db2.gz	REIPUFPJTLFEMV-UHFFFAOYSA-N	-1	0	304.302	0.981	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)o1	ZINC001192682563	772947273	/nfs/dbraw/zinc/94/72/73/772947273.db2.gz	BPZCAHSBRDCNNB-UHFFFAOYSA-N	-1	0	317.282	0.836	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)CCCO)cc1	ZINC001192982240	772983637	/nfs/dbraw/zinc/98/36/37/772983637.db2.gz	LFBPELFUYUWMPC-UHFFFAOYSA-N	-1	0	318.376	0.108	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2ccc([O-])c(C#N)c2)CCN1C	ZINC001193503700	773075316	/nfs/dbraw/zinc/07/53/16/773075316.db2.gz	FCEYUSBDGQGUTM-GFCCVEGCSA-N	-1	0	303.318	0.193	20	30		DCEDRM
COc1ccc(N)cc1S(=O)(=O)[N-]c1ccnc(C#N)c1	ZINC001206626998	773095372	/nfs/dbraw/zinc/09/53/72/773095372.db2.gz	HDDZBRKUEYXVPJ-UHFFFAOYSA-N	-1	0	304.331	0.767	20	30		DCEDRM
COC(=O)[C@H]1CN(C)CCN1C(=O)c1cccc(C#N)c1[O-]	ZINC001193647021	773097546	/nfs/dbraw/zinc/09/75/46/773097546.db2.gz	STFSXIRMXRPEPO-GFCCVEGCSA-N	-1	0	303.318	0.193	20	30		DCEDRM
C=C[C@@H]1C[C@]1(NC(=O)OCCF)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001194986163	773301154	/nfs/dbraw/zinc/30/11/54/773301154.db2.gz	JZMXWWRBSKDEJW-PRHODGIISA-N	-1	0	320.342	0.235	20	30		DCEDRM
N#Cc1nc(N)c(NC(=O)c2cc([O-])cnc2Cl)nc1C#N	ZINC001195297469	773371519	/nfs/dbraw/zinc/37/15/19/773371519.db2.gz	BSFJGBFTOIKKCJ-UHFFFAOYSA-N	-1	0	315.680	0.808	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001198343399	773903550	/nfs/dbraw/zinc/90/35/50/773903550.db2.gz	JQRPYJAEOLTGJL-LLVKDONJSA-N	-1	0	309.370	0.136	20	30		DCEDRM
N=C(c1nonc1N)N([O-])C(=O)c1nccc(OC2CCC2)n1	ZINC001199630888	774155269	/nfs/dbraw/zinc/15/52/69/774155269.db2.gz	FGEIIWLWDHSEFM-UHFFFAOYSA-N	-1	0	319.281	0.230	20	30		DCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1c(C#N)cnc2ccnn21	ZINC001201905287	774575504	/nfs/dbraw/zinc/57/55/04/774575504.db2.gz	NVUSCWQYWJSBHR-UHFFFAOYSA-N	-1	0	323.334	0.296	20	30		DCEDRM
C=CCN([C@H](C)COC)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000691827503	774763401	/nfs/dbraw/zinc/76/34/01/774763401.db2.gz	XRRQBDBLAVOFBE-SECBINFHSA-N	-1	0	302.352	0.925	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCCCC(=O)OC	ZINC001224392535	775566073	/nfs/dbraw/zinc/56/60/73/775566073.db2.gz	JFPKQTUHUACQJB-NSHDSACASA-N	-1	0	310.368	0.805	20	30		DCEDRM
COC(=O)c1[n-]c(=O)nc(O[C@H](C)[C@H](C)S)c1[N+](=O)[O-]	ZINC001226650179	775854392	/nfs/dbraw/zinc/85/43/92/775854392.db2.gz	RMPWHGJSFITNDT-UHNVWZDZSA-N	-1	0	303.296	0.963	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(OC)ccn1	ZINC001226826191	775881647	/nfs/dbraw/zinc/88/16/47/775881647.db2.gz	VZEZOHVGGHOLPQ-LLVKDONJSA-N	-1	0	303.336	0.928	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncnc(C)c1C	ZINC001228321838	776071945	/nfs/dbraw/zinc/07/19/45/776071945.db2.gz	CGROAMMIUMTIQB-NSHDSACASA-N	-1	0	302.352	0.931	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc(C(N)=O)c1	ZINC001228612192	776104583	/nfs/dbraw/zinc/10/45/83/776104583.db2.gz	AVRNRRHAZYXIDG-GFCCVEGCSA-N	-1	0	315.347	0.623	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1n[nH]c2c1CCC2	ZINC001229326861	776182146	/nfs/dbraw/zinc/18/21/46/776182146.db2.gz	PIONGMFDDWLVEN-SECBINFHSA-N	-1	0	302.352	0.736	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCCN(C)C(=O)[C@H](C)C#N)c1[O-]	ZINC001067199659	776895978	/nfs/dbraw/zinc/89/59/78/776895978.db2.gz	HTTLDEOEOXNEAQ-SECBINFHSA-N	-1	0	307.354	0.504	20	30		DCEDRM
C#CCN(C1CCOCC1)S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC001465108396	804099385	/nfs/dbraw/zinc/09/93/85/804099385.db2.gz	YYHHMQOMAUMDFY-QWHCGFSZSA-N	-1	0	315.391	0.684	20	30		DCEDRM
C#CC[C@H](NC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)C(=O)[O-]	ZINC001602685303	1169158445	/nfs/dbraw/zinc/15/84/45/1169158445.db2.gz	QXLKURIHVGIVIU-JTQLQIEISA-N	-1	0	310.350	0.836	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001603295562	1169288004	/nfs/dbraw/zinc/28/80/04/1169288004.db2.gz	CITNLQQBTFYJNQ-MNOVXSKESA-N	-1	0	306.362	0.522	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001278052118	945119991	/nfs/dbraw/zinc/11/99/91/945119991.db2.gz	RETMIKQFOKMALF-NSHDSACASA-N	-1	0	321.381	0.019	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001269221866	940652103	/nfs/dbraw/zinc/65/21/03/940652103.db2.gz	QGTWDTQRXUPFEM-VXGBXAGGSA-N	-1	0	323.397	0.524	20	30		DCEDRM
C#CCCCCC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001270638861	940952010	/nfs/dbraw/zinc/95/20/10/940952010.db2.gz	SFDQGXPXGKNKHC-LBPRGKRZSA-N	-1	0	321.381	0.021	20	30		DCEDRM
Cc1nn(C)c(N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)c1C#N	ZINC001600772181	970862751	/nfs/dbraw/zinc/86/27/51/970862751.db2.gz	BMHPLSAJANDQQX-UHFFFAOYSA-N	-1	0	317.349	0.114	20	30		DCEDRM
C[C@@H]1CCC[C@@H](C)N1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412940698	942147779	/nfs/dbraw/zinc/14/77/79/942147779.db2.gz	MYJRVZWFWZIKNE-GHMZBOCLSA-N	-1	0	319.365	0.505	20	30		DCEDRM
CO[C@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)CC(C)C	ZINC001413144713	942527207	/nfs/dbraw/zinc/52/72/07/942527207.db2.gz	PPVOXBHOMMMMCY-LBPRGKRZSA-N	-1	0	322.365	0.388	20	30		DCEDRM
C=CCN1CCC2(CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)C1=O	ZINC001272282701	942660716	/nfs/dbraw/zinc/66/07/16/942660716.db2.gz	ITNPNVDRAQGKIY-UHFFFAOYSA-N	-1	0	304.350	0.756	20	30		DCEDRM
C#CCN1CC2(CCC1=O)CCN(C(=O)c1cc(=O)[nH][n-]1)CC2	ZINC001272282871	942661261	/nfs/dbraw/zinc/66/12/61/942661261.db2.gz	LWZYJJQQGBNURD-UHFFFAOYSA-N	-1	0	316.361	0.593	20	30		DCEDRM
C=CCN1C(=O)C[C@]2(CCCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1=O	ZINC001272283052	942662280	/nfs/dbraw/zinc/66/22/80/942662280.db2.gz	NMWKMTJMFDZTSF-HNNXBMFYSA-N	-1	0	318.333	0.283	20	30		DCEDRM
C=C(C)CN1C[C@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O	ZINC001272287604	942666381	/nfs/dbraw/zinc/66/63/81/942666381.db2.gz	XQFBTOGXUBHPGS-OAHLLOKOSA-N	-1	0	320.349	0.135	20	30		DCEDRM
N#Cc1cc(F)cc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)c1	ZINC001601089885	970931005	/nfs/dbraw/zinc/93/10/05/970931005.db2.gz	WZRVEKSHYVQTFO-JTQLQIEISA-N	-1	0	319.292	0.959	20	30		DCEDRM
N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC001611291065	970976536	/nfs/dbraw/zinc/97/65/36/970976536.db2.gz	HTODXSORVSWMCN-GFCCVEGCSA-N	-1	0	317.301	0.603	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)c1[O-]	ZINC001056611500	943340231	/nfs/dbraw/zinc/34/02/31/943340231.db2.gz	SOJKPNQNVMWUGQ-SECBINFHSA-N	-1	0	313.321	0.412	20	30		DCEDRM
N#Cc1ccc2c(c1)n[nH]c2C(=O)n1[n-]c2ccnc(=O)c-2c1N	ZINC001156889894	944155474	/nfs/dbraw/zinc/15/54/74/944155474.db2.gz	JUPYJGQVHWJLBA-UHFFFAOYSA-N	-1	0	319.284	0.695	20	30		DCEDRM
C=CC(C)(C)CC(=O)N(C)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC001486462897	944908958	/nfs/dbraw/zinc/90/89/58/944908958.db2.gz	LFVPWAAYICLUCR-UHFFFAOYSA-N	-1	0	321.425	0.790	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H]1CCCN1CC#N	ZINC001317513113	945009646	/nfs/dbraw/zinc/00/96/46/945009646.db2.gz	GWNMCQASKLFGLV-VIFPVBQESA-N	-1	0	320.315	0.548	20	30		DCEDRM
COC(=O)c1ccccc1S(=O)(=O)[N-]c1cn(C)nc1C#N	ZINC001253963796	946209245	/nfs/dbraw/zinc/20/92/45/946209245.db2.gz	DCLOTCUXVPTREO-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
COC(=O)c1ccccc1S(=O)(=O)[N-]c1nnccc1C#N	ZINC001253964818	946210409	/nfs/dbraw/zinc/21/04/09/946210409.db2.gz	YRFDLLBZAMIGAD-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
COC(=O)c1ccccc1S(=O)(=O)[N-]c1c(C#N)ncn1C	ZINC001253964220	946212122	/nfs/dbraw/zinc/21/21/22/946212122.db2.gz	NEJBCAGGBDTUDU-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
CC(C)(C)OC(=O)NCCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000824114464	946593291	/nfs/dbraw/zinc/59/32/91/946593291.db2.gz	SAAINGGHZVPXAY-UHFFFAOYSA-N	-1	0	319.329	0.042	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001602675351	971247701	/nfs/dbraw/zinc/24/77/01/971247701.db2.gz	RSRMBQSQWSDOJQ-UPJWGTAASA-N	-1	0	306.362	0.618	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cnn(C[C@@H]2CCCO2)c1	ZINC001602688514	971291169	/nfs/dbraw/zinc/29/11/69/971291169.db2.gz	OAGGSEBUGCFKDJ-LBPRGKRZSA-N	-1	0	306.322	0.614	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1nc(C(F)(F)F)ccc1C#N	ZINC001259018597	946892170	/nfs/dbraw/zinc/89/21/70/946892170.db2.gz	CPYHQGUCTQCSLI-UHFFFAOYSA-N	-1	0	323.252	0.887	20	30		DCEDRM
Cc1ncc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c(=O)[nH]1	ZINC001259116968	946915922	/nfs/dbraw/zinc/91/59/22/946915922.db2.gz	KECGCAYMGOQEMO-JTQLQIEISA-N	-1	0	324.749	0.888	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NC[C@H]1Cc2ccccc2O1	ZINC001602695813	971312739	/nfs/dbraw/zinc/31/27/39/971312739.db2.gz	UOXUZALRNSPAGP-CYBMUJFWSA-N	-1	0	302.330	0.126	20	30		DCEDRM
C[C@H]1CN(O)C(=O)[C@H]1NS(=O)(=O)c1cc(F)c(F)c(F)c1	ZINC001259504422	946964293	/nfs/dbraw/zinc/96/42/93/946964293.db2.gz	OYWMDCWMMCKSQU-RRAGMBSWSA-N	-1	0	324.280	0.618	20	30		DCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)CCc1ccccc1F	ZINC001259789829	946985636	/nfs/dbraw/zinc/98/56/36/946985636.db2.gz	QCVFFVMJDCKRBZ-LBPRGKRZSA-N	-1	0	314.338	0.743	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1cc(C(=O)OC)ccc1C	ZINC001602695457	971307449	/nfs/dbraw/zinc/30/74/49/971307449.db2.gz	GQIIIPQGAJZFQB-UHFFFAOYSA-N	-1	0	318.329	0.740	20	30		DCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)C1CCOCC1	ZINC001259907856	947014996	/nfs/dbraw/zinc/01/49/96/947014996.db2.gz	ISVYIQAUQOJDOM-UHFFFAOYSA-N	-1	0	307.335	0.522	20	30		DCEDRM
C=CCS(=O)(=O)[N-]c1cc(OC)cc(OC)c1C(N)=O	ZINC001259931400	947025999	/nfs/dbraw/zinc/02/59/99/947025999.db2.gz	INZPWTYYGPOTIL-UHFFFAOYSA-N	-1	0	300.336	0.730	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)NCC[P@](=O)([O-])O)cc1	ZINC001260046170	947051615	/nfs/dbraw/zinc/05/16/15/947051615.db2.gz	AWJSYPZOIHAPMZ-UHFFFAOYSA-N	-1	0	304.264	0.155	20	30		DCEDRM
C#C[C@](C)(CC)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260179552	947078237	/nfs/dbraw/zinc/07/82/37/947078237.db2.gz	MYNHMEWBHXSLOO-LLVKDONJSA-N	-1	0	313.770	0.858	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)Cc1c(C(=O)[O-])cnn1C	ZINC001602700902	971323617	/nfs/dbraw/zinc/32/36/17/971323617.db2.gz	NKUJCQKXHAAFAH-UHFFFAOYSA-N	-1	0	307.350	0.895	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)[N-]OCc1ccccc1OC	ZINC001323655465	947159107	/nfs/dbraw/zinc/15/91/07/947159107.db2.gz	DWKGFDUJSANELB-UHFFFAOYSA-N	-1	0	322.361	0.952	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C[C@@H]1CCOC1	ZINC001602717264	971365338	/nfs/dbraw/zinc/36/53/38/971365338.db2.gz	GLZAVUPZQYWTQX-SRVKXCTJSA-N	-1	0	322.365	0.445	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC1	ZINC001602717557	971369295	/nfs/dbraw/zinc/36/92/95/971369295.db2.gz	RCGYFIHXLPZQNJ-UHFFFAOYSA-N	-1	0	306.322	0.331	20	30		DCEDRM
CN(C)c1ncccc1/C=C/C(=O)c1cnc([O-])n(C)c1=O	ZINC001324708421	947510488	/nfs/dbraw/zinc/51/04/88/947510488.db2.gz	WJZLPPRDWAPKTP-VOTSOKGWSA-N	-1	0	300.318	0.843	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC001602722991	971392201	/nfs/dbraw/zinc/39/22/01/971392201.db2.gz	FIWGIWCQTDAPLH-ZUZCIYMTSA-N	-1	0	324.333	0.741	20	30		DCEDRM
C=CCOC[C@@H]1NC(=O)N(c2cccc(CC(=O)[O-])c2)C1=O	ZINC001602723037	971392292	/nfs/dbraw/zinc/39/22/92/971392292.db2.gz	JDZBVEOKHWMTTL-LBPRGKRZSA-N	-1	0	304.302	0.941	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCc3nncn3CC2)CC1	ZINC001262104741	947561461	/nfs/dbraw/zinc/56/14/61/947561461.db2.gz	MGZSBQUJNUDYQP-JTQLQIEISA-N	-1	0	310.379	0.395	20	30		DCEDRM
C=CCn1c(C)nnc1SCCS(=O)(=O)CC(=O)[O-]	ZINC001602729701	971400626	/nfs/dbraw/zinc/40/06/26/971400626.db2.gz	BPPLMDOGXQCTSL-UHFFFAOYSA-N	-1	0	305.381	0.364	20	30		DCEDRM
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC(=O)[N-]OC	ZINC001262290006	947636638	/nfs/dbraw/zinc/63/66/38/947636638.db2.gz	RWVCPIGLXHMNJZ-CYBMUJFWSA-N	-1	0	319.361	0.084	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccoc1CC(N)=O	ZINC001263293823	947828524	/nfs/dbraw/zinc/82/85/24/947828524.db2.gz	BIPUEPBRNHQBBB-NSHDSACASA-N	-1	0	321.333	0.173	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)[N-]OCCOC(C)C)n(CCC#N)n1	ZINC001326030945	948025865	/nfs/dbraw/zinc/02/58/65/948025865.db2.gz	FNPPAVRJBHAZNS-UHFFFAOYSA-N	-1	0	323.353	0.517	20	30		DCEDRM
COC(=O)CCCCS(=O)(=O)[N-]c1oc(C)nc1C#N	ZINC001196922721	948056223	/nfs/dbraw/zinc/05/62/23/948056223.db2.gz	PHJIVLYYFDQQNQ-UHFFFAOYSA-N	-1	0	301.324	0.940	20	30		DCEDRM
Cn1ccnc(N=NC2CCCc3c(C#N)c(=O)[n-]cc32)c1=O	ZINC001327219833	948425281	/nfs/dbraw/zinc/42/52/81/948425281.db2.gz	AXLIVKGWFGLTHH-UHFFFAOYSA-N	-1	0	310.317	0.905	20	30		DCEDRM
CC1(C)CC[C@H](CO)N(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001570918293	948570522	/nfs/dbraw/zinc/57/05/22/948570522.db2.gz	BPULTEXTNUDEOD-SECBINFHSA-N	-1	0	314.353	0.516	20	30		DCEDRM
CCOC(=O)c1cc(Cn2cnc(-c3nnn[n-]3)c2C#N)on1	ZINC001570920019	948594084	/nfs/dbraw/zinc/59/40/84/948594084.db2.gz	FGWPFBCYULPXDF-UHFFFAOYSA-N	-1	0	314.265	0.148	20	30		DCEDRM
C[S@@](=O)C1(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)CCC1	ZINC001570921515	948621252	/nfs/dbraw/zinc/62/12/52/948621252.db2.gz	CYHNNPHNWSLGFB-JOCHJYFZSA-N	-1	0	318.366	0.241	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1	ZINC001602778139	971510762	/nfs/dbraw/zinc/51/07/62/971510762.db2.gz	BWAIYTHJUOJTJT-VCTAVGKDSA-N	-1	0	323.349	0.728	20	30		DCEDRM
CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCO[C@H]2C)n1	ZINC001264028138	948841991	/nfs/dbraw/zinc/84/19/91/948841991.db2.gz	KYGRNEHXXFBNLS-WCQYABFASA-N	-1	0	318.377	0.336	20	30		DCEDRM
CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC(C#N)CC2)C1	ZINC001589585029	949038675	/nfs/dbraw/zinc/03/86/75/949038675.db2.gz	YQVAUZYONGIBPF-INIZCTEOSA-N	-1	0	321.377	0.852	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C2CCOCC2)nn1C	ZINC001329105333	949355662	/nfs/dbraw/zinc/35/56/62/949355662.db2.gz	ATAMAUXHYKHLNH-UHFFFAOYSA-N	-1	0	322.365	0.877	20	30		DCEDRM
C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@H](C)NCC#N	ZINC001329202467	949431725	/nfs/dbraw/zinc/43/17/25/949431725.db2.gz	KOIVSXGPEFJOHU-JGVFFNPUSA-N	-1	0	308.304	0.450	20	30		DCEDRM
C=CC[C@H](NC(=O)NC[C@H]1CC2(CO1)CCOCC2)C(=O)[O-]	ZINC001329242715	949458163	/nfs/dbraw/zinc/45/81/63/949458163.db2.gz	KFKKBMBEAWIDHL-NEPJUHHUSA-N	-1	0	312.366	0.901	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H](OC)[C@H](C)CC)n1	ZINC001489076476	949466266	/nfs/dbraw/zinc/46/62/66/949466266.db2.gz	MKQUWOXQNGFPHM-IAQYHMDHSA-N	-1	0	320.393	0.582	20	30		DCEDRM
CC(=O)Nc1ccccc1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364543875	949529483	/nfs/dbraw/zinc/52/94/83/949529483.db2.gz	QXOHHTVBJQPSPF-UHFFFAOYSA-N	-1	0	313.317	0.516	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cnc(C(=O)[O-])cn1	ZINC001589719747	950404402	/nfs/dbraw/zinc/40/44/02/950404402.db2.gz	IELNURYQMWGWLZ-VIFPVBQESA-N	-1	0	320.305	0.340	20	30		DCEDRM
C[C@@]1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCCCO1	ZINC001575614635	950545243	/nfs/dbraw/zinc/54/52/43/950545243.db2.gz	KRRFIRPRMCYNQG-LBPRGKRZSA-N	-1	0	302.298	0.359	20	30		DCEDRM
Cc1ccccc1[C@@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365213727	950747601	/nfs/dbraw/zinc/74/76/01/950747601.db2.gz	CDRWYKUHHDCGGR-GFCCVEGCSA-N	-1	0	300.318	0.399	20	30		DCEDRM
C#CCCCC(=O)N[C@H](C)[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001280267434	950800732	/nfs/dbraw/zinc/80/07/32/950800732.db2.gz	DDKUVYCNXFDYIS-ZJUUUORDSA-N	-1	0	306.366	0.850	20	30		DCEDRM
C[C@@H]1CCCN(C(=O)CCNc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001365247098	950807080	/nfs/dbraw/zinc/80/70/80/950807080.db2.gz	DGTXGLRPWCWSMK-SNVBAGLBSA-N	-1	0	319.365	0.006	20	30		DCEDRM
C=CCCC(=O)NC[C@@H](C)N(C)C(=O)c1cnc([O-])n(C)c1=O	ZINC001280438905	950870118	/nfs/dbraw/zinc/87/01/18/950870118.db2.gz	BYDKDYGWVOLJOX-SNVBAGLBSA-N	-1	0	322.365	0.029	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001490588008	950908931	/nfs/dbraw/zinc/90/89/31/950908931.db2.gz	PRGSHBCFESUUEW-LLVKDONJSA-N	-1	0	321.381	0.184	20	30		DCEDRM
C=CCOC[C@@H](O)CNc1nc[n-]c(=O)c1Br	ZINC001252455603	951141278	/nfs/dbraw/zinc/14/12/78/951141278.db2.gz	DSHUSCWTADVSIY-ZETCQYMHSA-N	-1	0	304.144	0.920	20	30		DCEDRM
N#Cc1cnn2c1[nH]c(=O)cc2[N-]S(=O)(=O)CC(F)(F)F	ZINC001253113430	951224860	/nfs/dbraw/zinc/22/48/60/951224860.db2.gz	PPMJENMBLFWLQS-UHFFFAOYSA-N	-1	0	321.240	0.611	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-]	ZINC001331828828	951342647	/nfs/dbraw/zinc/34/26/47/951342647.db2.gz	ZTZRASQCSHOVSO-MNOVXSKESA-N	-1	0	315.391	0.737	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-]	ZINC001331828829	951343849	/nfs/dbraw/zinc/34/38/49/951343849.db2.gz	ZTZRASQCSHOVSO-QWRGUYRKSA-N	-1	0	315.391	0.737	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)[N-]OCc1ccccc1	ZINC001333171408	951944252	/nfs/dbraw/zinc/94/42/52/951944252.db2.gz	XGLRLEZFYRNFMC-AWEZNQCLSA-N	-1	0	304.346	0.779	20	30		DCEDRM
C=CCN1CC[C@@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O	ZINC001275461933	952165470	/nfs/dbraw/zinc/16/54/70/952165470.db2.gz	PFAWDUTXOMJSAO-ZDUSSCGKSA-N	-1	0	310.379	0.351	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCc2cccs2)c(=O)[n-]c1=O	ZINC001411603064	952312998	/nfs/dbraw/zinc/31/29/98/952312998.db2.gz	MKTKLZJLDOVHDQ-UHFFFAOYSA-N	-1	0	304.331	0.241	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)Nc2cnn(CC#N)c2)cc1=O	ZINC001411692848	952389581	/nfs/dbraw/zinc/38/95/81/952389581.db2.gz	CREXCYQKPATWCJ-UHFFFAOYSA-N	-1	0	302.338	0.734	20	30		DCEDRM
C=CCOC[C@H](NCc1ccc(S(C)(=O)=O)s1)C(=O)[O-]	ZINC001334776283	952392012	/nfs/dbraw/zinc/39/20/12/952392012.db2.gz	BTGXSYPRLUXGTI-JTQLQIEISA-N	-1	0	319.404	0.897	20	30		DCEDRM
C=CCC[C@H](NC(=O)C(=O)NCC(=O)[N-]OC)c1ccccc1	ZINC001334835154	952399637	/nfs/dbraw/zinc/39/96/37/952399637.db2.gz	NGAKBHQHYDDXQM-ZDUSSCGKSA-N	-1	0	319.361	0.604	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3[nH]nc(C)c3[O-])[C@@H]2C1	ZINC001335344224	952523744	/nfs/dbraw/zinc/52/37/44/952523744.db2.gz	YXOANJAYRCBWIK-CNDDSTCGSA-N	-1	0	318.377	0.824	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnn1[C@@H]1CCCOC1	ZINC001336832486	952773099	/nfs/dbraw/zinc/77/30/99/952773099.db2.gz	CTVSPXGOMVDULK-GHMZBOCLSA-N	-1	0	308.338	0.795	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001337656361	952895445	/nfs/dbraw/zinc/89/54/45/952895445.db2.gz	NYDVEMMBZQVFAQ-SNVBAGLBSA-N	-1	0	324.381	0.233	20	30		DCEDRM
N#Cc1cc(C(=O)N2CC3(C2)CC[C@@H](C(N)=O)O3)ccc1[O-]	ZINC001276156590	952952820	/nfs/dbraw/zinc/95/28/20/952952820.db2.gz	VEZOIPHXPDOUDJ-LBPRGKRZSA-N	-1	0	301.302	0.123	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CCO[C@@H](CCF)C1	ZINC001339210009	953081055	/nfs/dbraw/zinc/08/10/55/953081055.db2.gz	GUAUBGVLFCHPSX-VIFPVBQESA-N	-1	0	308.321	0.209	20	30		DCEDRM
CCc1nn(C)cc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412780484	953090002	/nfs/dbraw/zinc/09/00/02/953090002.db2.gz	KETPKPJHUGUHLL-UHFFFAOYSA-N	-1	0	316.321	0.145	20	30		DCEDRM
C=CC[C@H](NC(=O)c1ccc(-n2cnnn2)c(C)c1)C(=O)[O-]	ZINC001339865367	953126199	/nfs/dbraw/zinc/12/61/99/953126199.db2.gz	VHZWNYYDTGSKCA-NSHDSACASA-N	-1	0	301.306	0.730	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(C2CCOCC2)nn1	ZINC001341821716	953252799	/nfs/dbraw/zinc/25/27/99/953252799.db2.gz	UXXZIMLCNLXQAN-NSHDSACASA-N	-1	0	305.338	0.477	20	30		DCEDRM
CCC(=O)N1CC[C@@H](C(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC001342557474	953295005	/nfs/dbraw/zinc/29/50/05/953295005.db2.gz	IBDUMSGMSHWYQP-GHMZBOCLSA-N	-1	0	302.334	0.570	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-]	ZINC001343779783	953373747	/nfs/dbraw/zinc/37/37/47/953373747.db2.gz	CIOMOCLGKAZLKW-JTQLQIEISA-N	-1	0	321.786	0.875	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](OC)C1	ZINC001343786355	953377226	/nfs/dbraw/zinc/37/72/26/953377226.db2.gz	ISTQXRMYQDNRND-JTQLQIEISA-N	-1	0	304.354	0.303	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCCN1C(=O)CCC1=O	ZINC001344007162	953404588	/nfs/dbraw/zinc/40/45/88/953404588.db2.gz	XTKFBDIOPBVVAW-SNVBAGLBSA-N	-1	0	316.317	0.241	20	30		DCEDRM
C#CCOCCCOC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C	ZINC001344384987	953478970	/nfs/dbraw/zinc/47/89/70/953478970.db2.gz	WCKPJEPMEDMIJG-LLVKDONJSA-N	-1	0	305.396	0.533	20	30		DCEDRM
C=CC[C@H](NC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C)C(=O)[O-]	ZINC001344553149	953494567	/nfs/dbraw/zinc/49/45/67/953494567.db2.gz	PZGYSKKHIWMZEB-JTQLQIEISA-N	-1	0	317.305	0.435	20	30		DCEDRM
C=CCN(CCOC)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(=C)C	ZINC001346513842	953906569	/nfs/dbraw/zinc/90/65/69/953906569.db2.gz	BAVZYSGAGMNZLX-UHFFFAOYSA-N	-1	0	318.381	0.717	20	30		DCEDRM
CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[C@H]1CCC[C@H]1C#N	ZINC001593675278	953916860	/nfs/dbraw/zinc/91/68/60/953916860.db2.gz	QLYSEFXZHGCNGF-SRVKXCTJSA-N	-1	0	307.350	0.460	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CCO1	ZINC000385290858	971993410	/nfs/dbraw/zinc/99/34/10/971993410.db2.gz	YAYAQHXCUVWANF-QMMMGPOBSA-N	-1	0	314.294	0.437	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1	ZINC001593733304	954329284	/nfs/dbraw/zinc/32/92/84/954329284.db2.gz	VJGBOAPJNAOVRR-GFCCVEGCSA-N	-1	0	315.329	0.844	20	30		DCEDRM
C[C@@H]1CS(=O)(=O)CCCN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589408190	954484299	/nfs/dbraw/zinc/48/42/99/954484299.db2.gz	ALUVXDKPPHEWMS-SKDRFNHKSA-N	-1	0	302.352	0.027	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1cnc(Cl)n1C	ZINC001350262371	955038640	/nfs/dbraw/zinc/03/86/40/955038640.db2.gz	FBNYVNSCVHBPJS-UHFFFAOYSA-N	-1	0	307.784	0.245	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)c1ccc(C#N)c(OC)c1)C(=O)[O-]	ZINC001593847056	955428937	/nfs/dbraw/zinc/42/89/37/955428937.db2.gz	FGKFHFUILKIVPN-NSHDSACASA-N	-1	0	320.301	0.703	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C[C@@H](C)O)C1CC1	ZINC001351852589	955432398	/nfs/dbraw/zinc/43/23/98/955432398.db2.gz	VGDHBTASPVKDFU-SECBINFHSA-N	-1	0	304.354	0.038	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC001594588848	956027626	/nfs/dbraw/zinc/02/76/26/956027626.db2.gz	KNNHJZXSTJBREP-CQSZACIVSA-N	-1	0	313.317	0.646	20	30		DCEDRM
N#C[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C1CCCCC1	ZINC001594602053	956141603	/nfs/dbraw/zinc/14/16/03/956141603.db2.gz	TXHXONIFUNSUFG-OLZOCXBDSA-N	-1	0	321.377	0.898	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001594603119	956153366	/nfs/dbraw/zinc/15/33/66/956153366.db2.gz	XRROKBAJSSPMBM-ZDUSSCGKSA-N	-1	0	306.253	0.182	20	30		DCEDRM
N#C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1	ZINC001594606474	956183574	/nfs/dbraw/zinc/18/35/74/956183574.db2.gz	XWRARFSZAPTOKP-STQMWFEESA-N	-1	0	321.377	0.852	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCC(=O)Nc1sccc1C#N	ZINC001593932145	956194844	/nfs/dbraw/zinc/19/48/44/956194844.db2.gz	ZFCBPIIGRZCSMA-GFCCVEGCSA-N	-1	0	312.303	0.591	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2cnc3ccccn23)c(=O)[n-]c1=O	ZINC001300436777	956220899	/nfs/dbraw/zinc/22/08/99/956220899.db2.gz	XXCNZLVSBWEHKI-UHFFFAOYSA-N	-1	0	324.300	0.497	20	30		DCEDRM
CC/C(C)=C(\C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001353949344	956235212	/nfs/dbraw/zinc/23/52/12/956235212.db2.gz	AVYGSBXPQDDDSZ-MDZDMXLPSA-N	-1	0	302.334	0.950	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)n1	ZINC001594628276	956328889	/nfs/dbraw/zinc/32/88/89/956328889.db2.gz	HKMTYYIYEGTGCN-UHFFFAOYSA-N	-1	0	324.296	0.906	20	30		DCEDRM
CC1(C#N)CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC001589181506	956524047	/nfs/dbraw/zinc/52/40/47/956524047.db2.gz	KNKCNUTWNUKDID-LLVKDONJSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001354842539	956528058	/nfs/dbraw/zinc/52/80/58/956528058.db2.gz	CRZNQJUYEKMRKW-GFCCVEGCSA-N	-1	0	318.377	0.806	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)C1	ZINC001589188025	956573770	/nfs/dbraw/zinc/57/37/70/956573770.db2.gz	PBQLEVGPLGDRDO-ABAIWWIYSA-N	-1	0	307.350	0.462	20	30		DCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)n1	ZINC001356041591	956766546	/nfs/dbraw/zinc/76/65/46/956766546.db2.gz	BRTYAHFILBPNNV-SNVBAGLBSA-N	-1	0	300.318	0.386	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)nc1	ZINC001326199999	957316377	/nfs/dbraw/zinc/31/63/77/957316377.db2.gz	LNZBAYJACRBJCW-ZJUUUORDSA-N	-1	0	302.290	0.261	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000043511544	957434663	/nfs/dbraw/zinc/43/46/63/957434663.db2.gz	OYYDGRRNHSUILP-LBPRGKRZSA-N	-1	0	312.372	0.797	20	30		DCEDRM
Cc1noc([C@@H]2CCCN(c3[n-]c(=O)n(C)c(=O)c3C#N)C2)n1	ZINC001413884038	957689829	/nfs/dbraw/zinc/68/98/29/957689829.db2.gz	FEYOHAZCNIUXPV-SECBINFHSA-N	-1	0	316.321	0.021	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001594274366	957708294	/nfs/dbraw/zinc/70/82/94/957708294.db2.gz	BZPNJCQPCOEUNV-IAQYHMDHSA-N	-1	0	301.302	0.435	20	30		DCEDRM
COCc1ncc2c(n1)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2	ZINC001594033808	957788095	/nfs/dbraw/zinc/78/80/95/957788095.db2.gz	YMYORHAPMYFLLL-HNNXBMFYSA-N	-1	0	318.333	0.512	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2nnc(C3CC3)s2)c(C#N)c1=O	ZINC001413889947	957792140	/nfs/dbraw/zinc/79/21/40/957792140.db2.gz	CWZOAVBGIOPLQP-UHFFFAOYSA-N	-1	0	304.335	0.286	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC001588386613	957980757	/nfs/dbraw/zinc/98/07/57/957980757.db2.gz	SPBXDYNWEPEKRN-CHWSQXEVSA-N	-1	0	306.362	0.714	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(SC)cc1	ZINC001588395022	958037082	/nfs/dbraw/zinc/03/70/82/958037082.db2.gz	HYXDHVWURJNNIX-UHFFFAOYSA-N	-1	0	306.343	0.893	20	30		DCEDRM
COc1cc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)ccc1C#N	ZINC001594056943	958045119	/nfs/dbraw/zinc/04/51/19/958045119.db2.gz	FPJKTXNKPHURCS-LBPRGKRZSA-N	-1	0	303.274	0.413	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001296765893	958050235	/nfs/dbraw/zinc/05/02/35/958050235.db2.gz	XMPPVGUZRKGXFW-JTQLQIEISA-N	-1	0	304.306	0.197	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cncc(C(F)F)c1	ZINC001588397298	958054247	/nfs/dbraw/zinc/05/42/47/958054247.db2.gz	CTQLSJQOFDJRFD-UHFFFAOYSA-N	-1	0	311.244	0.504	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ncc(C(C)(C)C)s1	ZINC001588397557	958058937	/nfs/dbraw/zinc/05/89/37/958058937.db2.gz	LYEQSECFGZLMDY-UHFFFAOYSA-N	-1	0	323.374	0.926	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@]1(C(=O)OC)C[C@@H]1c1ccccc1	ZINC001588397554	958059509	/nfs/dbraw/zinc/05/95/09/958059509.db2.gz	LXAKJZXOXZZVJA-DYVFJYSZSA-N	-1	0	315.325	0.880	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1ccc(O)c(OC)c1	ZINC001588408205	958104631	/nfs/dbraw/zinc/10/46/31/958104631.db2.gz	ASLBTWWQQQVNTJ-UHFFFAOYSA-N	-1	0	306.318	0.673	20	30		DCEDRM
CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCCCCC#N)n1	ZINC001350314415	958104697	/nfs/dbraw/zinc/10/46/97/958104697.db2.gz	XVKFMQBAZYXXOO-UHFFFAOYSA-N	-1	0	321.337	0.451	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cn2ccc(C)cc2n1	ZINC001588408909	958119352	/nfs/dbraw/zinc/11/93/52/958119352.db2.gz	LPAZVFZSOVOWFN-UHFFFAOYSA-N	-1	0	300.318	0.872	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCc2cccc(F)c2)c(=O)[n-]c1=O	ZINC001361610784	958134702	/nfs/dbraw/zinc/13/47/02/958134702.db2.gz	KLXPZRNKDMLXKX-UHFFFAOYSA-N	-1	0	316.292	0.319	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(Nc2nn[nH]n2)c1	ZINC001588418840	958186174	/nfs/dbraw/zinc/18/61/74/958186174.db2.gz	GZXGGCFVVLMJOE-UHFFFAOYSA-N	-1	0	300.278	0.103	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](CO)CC(C)(C)C)n1C	ZINC001588427362	958244853	/nfs/dbraw/zinc/24/48/53/958244853.db2.gz	VEMIFXLTGCSZKO-NSHDSACASA-N	-1	0	308.382	0.851	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)Nc2cccnc2C(=O)[O-])C1	ZINC001588429827	958250524	/nfs/dbraw/zinc/25/05/24/958250524.db2.gz	DRACLIGWTBGWBD-LLVKDONJSA-N	-1	0	302.334	0.999	20	30		DCEDRM
C#CCOc1ccc(C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])cc1	ZINC001588433110	958292856	/nfs/dbraw/zinc/29/28/56/958292856.db2.gz	FPRAYKNWAPEAJI-ZDUSSCGKSA-N	-1	0	319.313	0.835	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001588439032	958309233	/nfs/dbraw/zinc/30/92/33/958309233.db2.gz	FWXLYUGHDAYPQT-KRWDZBQOSA-N	-1	0	317.341	0.539	20	30		DCEDRM
C=C(C)CN(CC)C(=O)CN1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001588439980	958325862	/nfs/dbraw/zinc/32/58/62/958325862.db2.gz	JWTUUEVYWOGEAJ-HNNXBMFYSA-N	-1	0	314.382	0.213	20	30		DCEDRM
C=C[C@@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)c1ccccc1	ZINC001588450243	958388002	/nfs/dbraw/zinc/38/80/02/958388002.db2.gz	ARXRTUZRKYPALN-CYBMUJFWSA-N	-1	0	302.330	0.712	20	30		DCEDRM
C=C[C@H](C(=O)OC)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001588450481	958393271	/nfs/dbraw/zinc/39/32/71/958393271.db2.gz	NETSDPGGOBUSIN-NTZNESFSSA-N	-1	0	307.350	0.638	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCc1cccc(OCC)c1	ZINC001573320228	958477176	/nfs/dbraw/zinc/47/71/76/958477176.db2.gz	IOONUYPPOAPRLQ-UHFFFAOYSA-N	-1	0	304.346	0.721	20	30		DCEDRM
C=CCn1c([C@H](O)COC)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001588473388	958551671	/nfs/dbraw/zinc/55/16/71/958551671.db2.gz	YWEUCYKTCYAHLR-GHMZBOCLSA-N	-1	0	310.354	0.445	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])nn1	ZINC001588475055	958560134	/nfs/dbraw/zinc/56/01/34/958560134.db2.gz	VKVSVBSPWRLSEA-GFCCVEGCSA-N	-1	0	300.318	0.890	20	30		DCEDRM
CS[C@@H]1CC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362006423	958595995	/nfs/dbraw/zinc/59/59/95/958595995.db2.gz	BXIUTUWFHIBXPQ-VHSXEESVSA-N	-1	0	308.363	0.221	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001298658094	958677698	/nfs/dbraw/zinc/67/76/98/958677698.db2.gz	CMUQUNRBXNIJRB-MRVPVSSYSA-N	-1	0	323.353	0.120	20	30		DCEDRM
CC[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@@H](C)O1	ZINC001362101632	958740489	/nfs/dbraw/zinc/74/04/89/958740489.db2.gz	JEPDMRAGFFEIIA-ZYHUDNBSSA-N	-1	0	320.349	0.237	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)[C@H]1CN(C)CCO1	ZINC001362133459	958795579	/nfs/dbraw/zinc/79/55/79/958795579.db2.gz	ZEQHBPFIDDIELR-CMPLNLGQSA-N	-1	0	304.350	0.416	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1C)C(=O)[O-]	ZINC000149557550	959018248	/nfs/dbraw/zinc/01/82/48/959018248.db2.gz	XOCHVZURQGVHDP-GFCCVEGCSA-N	-1	0	309.343	0.605	20	30		DCEDRM
C[C@@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)n1cnc(C#N)n1	ZINC001588558294	959083106	/nfs/dbraw/zinc/08/31/06/959083106.db2.gz	VDCADJFILKOJAY-ZETCQYMHSA-N	-1	0	301.262	0.753	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1)C(=O)[O-]	ZINC000159584130	959121306	/nfs/dbraw/zinc/12/13/06/959121306.db2.gz	ZVZNXKMCYLGZFX-NSHDSACASA-N	-1	0	311.315	0.228	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cs1	ZINC001362389341	959260698	/nfs/dbraw/zinc/26/06/98/959260698.db2.gz	QJWVGKCRSZNSEU-UHFFFAOYSA-N	-1	0	304.335	0.257	20	30		DCEDRM
C[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)[O-]	ZINC001594203940	959264711	/nfs/dbraw/zinc/26/47/11/959264711.db2.gz	XCBXLPSUBNBDTB-MRVPVSSYSA-N	-1	0	300.278	0.734	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC(S(C)(=O)=O)CC1	ZINC001362435146	959347148	/nfs/dbraw/zinc/34/71/48/959347148.db2.gz	UIGDIWKGYLFBJD-UHFFFAOYSA-N	-1	0	323.374	0.617	20	30		DCEDRM
CC(C)OCC(C)(C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362559344	959597425	/nfs/dbraw/zinc/59/74/25/959597425.db2.gz	KGHRAEWHAJULJN-UHFFFAOYSA-N	-1	0	322.365	0.530	20	30		DCEDRM
CC[C@H](C)[C@@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)OC	ZINC001362599009	959672611	/nfs/dbraw/zinc/67/26/11/959672611.db2.gz	KGLHVBNMOUJDBR-CMPLNLGQSA-N	-1	0	322.365	0.388	20	30		DCEDRM
CC(C)(C)[C@@](C)(C#N)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588640767	959687900	/nfs/dbraw/zinc/68/79/00/959687900.db2.gz	NDUCBOKPPQYOTG-MEBBXXQBSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CC(C)n1cnc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001362631296	959732521	/nfs/dbraw/zinc/73/25/21/959732521.db2.gz	HELIOIDTTGFJOL-UHFFFAOYSA-N	-1	0	317.309	0.022	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC2(COC(=O)N2)CC1	ZINC001362687432	959833387	/nfs/dbraw/zinc/83/33/87/959833387.db2.gz	MRASAOJMTBLBHO-UHFFFAOYSA-N	-1	0	316.317	0.682	20	30		DCEDRM
N#Cc1sccc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001362722265	959890882	/nfs/dbraw/zinc/89/08/82/959890882.db2.gz	FVBGHCWLIGNKNJ-UHFFFAOYSA-N	-1	0	304.335	0.257	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](OC(=O)N(C)C)C1	ZINC001362741794	959917592	/nfs/dbraw/zinc/91/75/92/959917592.db2.gz	NYXSHZDTSVTIMC-LLVKDONJSA-N	-1	0	318.333	0.880	20	30		DCEDRM
Cn1cc(C2=NO[C@H](C(=O)[N-]Oc3cccc(C#N)c3)C2)cn1	ZINC001302374114	960022082	/nfs/dbraw/zinc/02/20/82/960022082.db2.gz	UISZPRBZTIWIFB-AWEZNQCLSA-N	-1	0	311.301	0.895	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)s1	ZINC000230324305	960144365	/nfs/dbraw/zinc/14/43/65/960144365.db2.gz	KMBCHMXFGCUSCP-JTQLQIEISA-N	-1	0	318.401	0.858	20	30		DCEDRM
C=CCCC[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)OC	ZINC001309862250	960212622	/nfs/dbraw/zinc/21/26/22/960212622.db2.gz	AGWUKRWUQXXLSZ-SECBINFHSA-N	-1	0	312.413	0.446	20	30		DCEDRM
COc1cccc(C[C@@H](O)C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC001362969417	960241009	/nfs/dbraw/zinc/24/10/09/960241009.db2.gz	KOPXXCLHWFSQST-CYBMUJFWSA-N	-1	0	311.301	0.704	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Cc2ccccc2F)c(=O)[n-]c1=O	ZINC001362998106	960276947	/nfs/dbraw/zinc/27/69/47/960276947.db2.gz	CCJFFODRASALQQ-UHFFFAOYSA-N	-1	0	316.292	0.319	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H]2CCOC23CCCC3)c(=O)[n-]c1=O	ZINC001363037786	960328713	/nfs/dbraw/zinc/32/87/13/960328713.db2.gz	BDGMMTBSVUNREA-NSHDSACASA-N	-1	0	318.333	0.038	20	30		DCEDRM
C[C@@]1(C#N)CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CCO1	ZINC001363124117	960435704	/nfs/dbraw/zinc/43/57/04/960435704.db2.gz	MCDTXRDXCOXOHI-OAHLLOKOSA-N	-1	0	314.301	0.785	20	30		DCEDRM
CC[C@@H]1CCC[C@@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363128029	960439009	/nfs/dbraw/zinc/43/90/09/960439009.db2.gz	KILPQJWUHIWOSH-PWSUYJOCSA-N	-1	0	304.350	0.763	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cc(F)ccc2F)c(=O)[n-]c1=O	ZINC001363130550	960446983	/nfs/dbraw/zinc/44/69/83/960446983.db2.gz	YPZNVFZFJSUYPE-UHFFFAOYSA-N	-1	0	320.255	0.529	20	30		DCEDRM
Cn1ncc(C2CCC2)c1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363153010	960491261	/nfs/dbraw/zinc/49/12/61/960491261.db2.gz	HXCPMNROUHCFBM-UHFFFAOYSA-N	-1	0	314.349	0.558	20	30		DCEDRM
CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588670337	960506881	/nfs/dbraw/zinc/50/68/81/960506881.db2.gz	SQUMOZVGUBFFMS-KBPBESRZSA-N	-1	0	314.338	0.200	20	30		DCEDRM
CN(Cc1cc(C(C)(C)C)n[nH]1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363159574	960508248	/nfs/dbraw/zinc/50/82/48/960508248.db2.gz	RGRMQZZZMWJBOA-UHFFFAOYSA-N	-1	0	316.365	0.602	20	30		DCEDRM
CC[C@](C)(NCc1cc(=O)n2[n-]cc(C#N)c2n1)C(=O)OC	ZINC001363215877	960621530	/nfs/dbraw/zinc/62/15/30/960621530.db2.gz	LSDQQZKWIIDPRO-AWEZNQCLSA-N	-1	0	303.322	0.738	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001604121541	972519699	/nfs/dbraw/zinc/51/96/99/972519699.db2.gz	MRJYFKRNBBFANI-UHFFFAOYSA-N	-1	0	316.379	0.274	20	30		DCEDRM
COC(=O)C12CC(C1)CN2C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363219923	960634318	/nfs/dbraw/zinc/63/43/18/960634318.db2.gz	SECORTVZGNIGEE-UHFFFAOYSA-N	-1	0	301.302	0.745	20	30		DCEDRM
CSC[C@](C)(C#N)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001604957309	972531134	/nfs/dbraw/zinc/53/11/34/972531134.db2.gz	CGNIREFOSFDCGL-ZDUSSCGKSA-N	-1	0	309.347	0.308	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2C[C@H]2C2CCC2)c(=O)[n-]c1=O	ZINC001363288670	960801699	/nfs/dbraw/zinc/80/16/99/960801699.db2.gz	SCGHDEFHXCKROJ-NWDGAFQWSA-N	-1	0	302.334	0.373	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001571081673	961016666	/nfs/dbraw/zinc/01/66/66/961016666.db2.gz	RFDSIKXHFAJULF-WDEREUQCSA-N	-1	0	303.384	0.509	20	30		DCEDRM
CCn1cc(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001571088080	961091924	/nfs/dbraw/zinc/09/19/24/961091924.db2.gz	RKMNXNYKWJXQAY-UHFFFAOYSA-N	-1	0	305.338	0.803	20	30		DCEDRM
Cn1nc(NC(=O)NCc2nc(C#N)cs2)cc1C(=O)[O-]	ZINC001571091240	961099041	/nfs/dbraw/zinc/09/90/41/961099041.db2.gz	BWSVFJMVNRFSDE-UHFFFAOYSA-N	-1	0	306.307	0.768	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC001574388992	961152530	/nfs/dbraw/zinc/15/25/30/961152530.db2.gz	GEGKZTBXTYLHQC-CYBMUJFWSA-N	-1	0	310.331	0.389	20	30		DCEDRM
COC[C@H](NC(=O)c1cccc(SCC#N)c1)c1nnn[n-]1	ZINC001363437963	961155078	/nfs/dbraw/zinc/15/50/78/961155078.db2.gz	RWVHFHPUQJUZOW-NSHDSACASA-N	-1	0	318.362	0.933	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001571096654	961174884	/nfs/dbraw/zinc/17/48/84/961174884.db2.gz	PYFXVNVGTIEQDX-WDEREUQCSA-N	-1	0	307.306	0.951	20	30		DCEDRM
CC(C)c1oncc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363484494	961251126	/nfs/dbraw/zinc/25/11/26/961251126.db2.gz	QSWPFWWCJXCOCI-UHFFFAOYSA-N	-1	0	317.305	0.362	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CCCC(=O)C2CC2)c(=O)[n-]c1=O	ZINC001363484545	961251734	/nfs/dbraw/zinc/25/17/34/961251734.db2.gz	RGFSFSJOXGWSHR-UHFFFAOYSA-N	-1	0	318.333	0.086	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCN(C2CCC2)C1=O	ZINC001363502189	961290380	/nfs/dbraw/zinc/29/03/80/961290380.db2.gz	TWJOXCOQWRWWBY-GFCCVEGCSA-N	-1	0	314.345	0.851	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)c(=O)[n-]c1=O	ZINC001363503335	961293670	/nfs/dbraw/zinc/29/36/70/961293670.db2.gz	VJKYIDJROCWQJT-HOSYDEDBSA-N	-1	0	302.334	0.373	20	30		DCEDRM
CCOC(=O)C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(F)(F)F	ZINC001573894239	961372492	/nfs/dbraw/zinc/37/24/92/961372492.db2.gz	BDBWBJPDKZPIKG-WRWORJQWSA-N	-1	0	324.255	0.991	20	30		DCEDRM
CO[C@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)[C@@H](C(=O)[O-])C1	ZINC001571131644	961562042	/nfs/dbraw/zinc/56/20/42/961562042.db2.gz	NXOWFNMVBWLIII-WDEREUQCSA-N	-1	0	316.379	0.574	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)[O-]	ZINC001588823434	961648460	/nfs/dbraw/zinc/64/84/60/961648460.db2.gz	WWKLFGZWADMVEE-CHWSQXEVSA-N	-1	0	308.382	0.725	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)CCNC(=O)c2ccco2)CC1	ZINC001571143488	961697600	/nfs/dbraw/zinc/69/76/00/961697600.db2.gz	ZVGPHSLRDOYZMX-UHFFFAOYSA-N	-1	0	319.317	0.616	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001571166698	962002492	/nfs/dbraw/zinc/00/24/92/962002492.db2.gz	ZLMUTSHKKZHDEV-NEPJUHHUSA-N	-1	0	324.358	0.323	20	30		DCEDRM
CC1(C)CCC[C@@H](CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)O1	ZINC001363865426	962043630	/nfs/dbraw/zinc/04/36/30/962043630.db2.gz	MGVFSNYQKZMTMS-NSHDSACASA-N	-1	0	320.349	0.284	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001363993147	962259405	/nfs/dbraw/zinc/25/94/05/962259405.db2.gz	DUJQOUYDAGLFGJ-SECBINFHSA-N	-1	0	313.383	0.569	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1ccnn1-c1ccc(C#N)cc1	ZINC001574103816	962412321	/nfs/dbraw/zinc/41/23/21/962412321.db2.gz	BIMOOXXUMFBFJL-LBPRGKRZSA-N	-1	0	300.274	0.782	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2CCC[C@H](F)C2)c(=O)[n-]c1=O	ZINC001364106940	962481207	/nfs/dbraw/zinc/48/12/07/962481207.db2.gz	IMCVSFHAHXPART-KOLCDFICSA-N	-1	0	308.313	0.465	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1OCC	ZINC001573301919	962639776	/nfs/dbraw/zinc/63/97/76/962639776.db2.gz	HAMNSPXXYVGVRI-JTQLQIEISA-N	-1	0	313.331	0.056	20	30		DCEDRM
C#CCCCC(=O)NC1CCC(N(C)C(=O)CNC(=O)[O-])CC1	ZINC001573303101	962669729	/nfs/dbraw/zinc/66/97/29/962669729.db2.gz	KJEDENMKPYMISY-UHFFFAOYSA-N	-1	0	323.393	0.943	20	30		DCEDRM
C#CCC1(C(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCCCC1	ZINC001573303222	962673486	/nfs/dbraw/zinc/67/34/86/962673486.db2.gz	MHPAGIGGXQRFEG-OLZOCXBDSA-N	-1	0	320.389	0.913	20	30		DCEDRM
C=C(Br)CN(CCNC(=O)CNC(=O)[O-])C1CC1	ZINC001573313614	962733194	/nfs/dbraw/zinc/73/31/94/962733194.db2.gz	MEAAOWZSEGHBPO-UHFFFAOYSA-N	-1	0	320.187	0.743	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cccc3c2OCCO3)c(C#N)c1=O	ZINC001364252855	962757560	/nfs/dbraw/zinc/75/75/60/962757560.db2.gz	XWZOHTVOZMPMTN-UHFFFAOYSA-N	-1	0	314.301	0.329	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C[C@H]21	ZINC001573321709	962762281	/nfs/dbraw/zinc/76/22/81/962762281.db2.gz	QFWKJMHMHFKYTL-OBPIAQAESA-N	-1	0	320.389	0.882	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)COc1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC001573322207	962766220	/nfs/dbraw/zinc/76/62/20/962766220.db2.gz	VPXUFTFVUXROJU-GFCCVEGCSA-N	-1	0	306.318	0.700	20	30		DCEDRM
C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)CNC(=O)[O-])CC[C@@H]2C1	ZINC001573323396	962771656	/nfs/dbraw/zinc/77/16/56/962771656.db2.gz	BANPCGXENCJGBI-OLZOCXBDSA-N	-1	0	323.393	0.917	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2)C(=O)[O-]	ZINC000275079047	962823087	/nfs/dbraw/zinc/82/30/87/962823087.db2.gz	YFEHPEIGRAOKMV-CABZTGNLSA-N	-1	0	309.343	0.765	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573338737	962879277	/nfs/dbraw/zinc/87/92/77/962879277.db2.gz	HJHMXFUIVQMJAJ-NXEZZACHSA-N	-1	0	314.769	0.813	20	30		DCEDRM
C=CC(=O)Nc1ccc(O)c(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC001573345448	962933540	/nfs/dbraw/zinc/93/35/40/962933540.db2.gz	SXFOCIDCTYTPHH-UHFFFAOYSA-N	-1	0	303.274	0.567	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCSC[C@@H]1CO)cc2=O	ZINC001364361441	962957425	/nfs/dbraw/zinc/95/74/25/962957425.db2.gz	ZUEVICFZEKIUQN-NSHDSACASA-N	-1	0	305.363	0.216	20	30		DCEDRM
C=CCCC(=O)N1CCC[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001573352624	962989762	/nfs/dbraw/zinc/98/97/62/962989762.db2.gz	HIEONHWBKCMUMU-NSHDSACASA-N	-1	0	304.350	0.966	20	30		DCEDRM
C=CCCCC(=O)NCC1CCN(C(=O)CNC(=O)[O-])CC1	ZINC001573356982	963012020	/nfs/dbraw/zinc/01/20/20/963012020.db2.gz	HZKLMHKUFIIDEB-UHFFFAOYSA-N	-1	0	311.382	0.965	20	30		DCEDRM
C=CCCN1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)C1	ZINC001573360018	963030458	/nfs/dbraw/zinc/03/04/58/963030458.db2.gz	CSEKTLYBEPTLMY-LSDHHAIUSA-N	-1	0	322.405	0.975	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)C(=O)[O-]	ZINC001573369758	963102086	/nfs/dbraw/zinc/10/20/86/963102086.db2.gz	ZLTIEYSPVILZAW-SNVBAGLBSA-N	-1	0	307.306	0.445	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1occc1C(=O)[O-]	ZINC001573379548	963108407	/nfs/dbraw/zinc/10/84/07/963108407.db2.gz	MSMPJLCPYTUWEB-WPRPVWTQSA-N	-1	0	301.320	0.847	20	30		DCEDRM
C[C@](CO)(NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000313506886	963651422	/nfs/dbraw/zinc/65/14/22/963651422.db2.gz	NYKWLUJMDBJJMN-LLVKDONJSA-N	-1	0	318.738	0.326	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588435369	964020995	/nfs/dbraw/zinc/02/09/95/964020995.db2.gz	NKUXNGRNBXRNMY-TUAOUCFPSA-N	-1	0	303.380	0.324	20	30		DCEDRM
C#CCCCCNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588442306	964055788	/nfs/dbraw/zinc/05/57/88/964055788.db2.gz	QTTJUXAJZSKMMX-UHFFFAOYSA-N	-1	0	320.349	0.561	20	30		DCEDRM
C#CCCN(CCOC)C(=O)C(=O)N1CCC(CC(=O)[O-])CC1	ZINC001588447478	964087604	/nfs/dbraw/zinc/08/76/04/964087604.db2.gz	KRUGMCKYPAHAPV-UHFFFAOYSA-N	-1	0	324.377	0.198	20	30		DCEDRM
C#CCCCc1nnc(N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1C	ZINC001588447902	964091448	/nfs/dbraw/zinc/09/14/48/964091448.db2.gz	SMIYODFNINJPGG-BLLLJJGKSA-N	-1	0	318.377	0.699	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C)c1[O-]	ZINC001371115270	966730512	/nfs/dbraw/zinc/73/05/12/966730512.db2.gz	APSYPUZJZWIORS-WPRPVWTQSA-N	-1	0	321.381	0.844	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H](NC(C)=O)c1cccs1	ZINC000092477558	967594147	/nfs/dbraw/zinc/59/41/47/967594147.db2.gz	KFSWBZHJOSHHID-NSHDSACASA-N	-1	0	308.359	0.862	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cccnn2)n1CC(C)C	ZINC001588426295	969881404	/nfs/dbraw/zinc/88/14/04/969881404.db2.gz	GJMTWHCEMGIEPX-UHFFFAOYSA-N	-1	0	314.349	0.915	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC001609623861	970423544	/nfs/dbraw/zinc/42/35/44/970423544.db2.gz	KRZMMHWZCZLBMY-ZDUSSCGKSA-N	-1	0	304.346	0.185	20	30		DCEDRM
CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1	ZINC001603296995	972566366	/nfs/dbraw/zinc/56/63/66/972566366.db2.gz	DZSJYSGRHFJRND-NSHDSACASA-N	-1	0	307.350	0.462	20	30		DCEDRM
CN1C(=O)COc2cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc21	ZINC001604195450	972630786	/nfs/dbraw/zinc/63/07/86/972630786.db2.gz	CBIFGJDVDQKTFK-HNNXBMFYSA-N	-1	0	317.301	0.985	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])c1cccc(C#N)c1[N+](=O)[O-]	ZINC001604317177	972974482	/nfs/dbraw/zinc/97/44/82/972974482.db2.gz	DDKGLPUZAWVYSD-UHFFFAOYSA-N	-1	0	307.262	0.921	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C	ZINC001604462163	973309449	/nfs/dbraw/zinc/30/94/49/973309449.db2.gz	OGOPQHBIGHUFQN-CUOATXAZSA-N	-1	0	314.338	0.462	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C	ZINC001604462166	973309691	/nfs/dbraw/zinc/30/96/91/973309691.db2.gz	OGOPQHBIGHUFQN-OWYVNGRQSA-N	-1	0	314.338	0.462	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)C#Cc2ccccc2)CCO1	ZINC001604541715	973525351	/nfs/dbraw/zinc/52/53/51/973525351.db2.gz	SXPFEVUUNMWNPK-INIZCTEOSA-N	-1	0	303.314	0.367	20	30		DCEDRM
CC[C@H](CNC(=O)C(=O)N1Cc2cccc(C#N)c2C1)C(=O)[O-]	ZINC001603549612	973612242	/nfs/dbraw/zinc/61/22/42/973612242.db2.gz	SWWZBIUCWHDZTG-SNVBAGLBSA-N	-1	0	315.329	0.627	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(c2nnc(C)c(C)c2C#N)CCO1	ZINC001604565369	973632019	/nfs/dbraw/zinc/63/20/19/973632019.db2.gz	UERVMLAHLCXJJB-CQSZACIVSA-N	-1	0	306.322	0.272	20	30		DCEDRM
N#C[C@]1(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC2CCC1CC2	ZINC001605577317	973857015	/nfs/dbraw/zinc/85/70/15/973857015.db2.gz	ZLHLWRUIGBMDHU-ZEPSKSRBSA-N	-1	0	319.361	0.462	20	30		DCEDRM
N#CCC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001605581820	973862369	/nfs/dbraw/zinc/86/23/69/973862369.db2.gz	NIXYYPSCJLNWKB-AAEUAGOBSA-N	-1	0	301.302	0.443	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1	ZINC001605586135	973881109	/nfs/dbraw/zinc/88/11/09/973881109.db2.gz	RNUGMZYTEFUKJJ-GFCCVEGCSA-N	-1	0	303.274	0.435	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CC2CCC3(CC3)CC2)c1=O	ZINC001605623148	973948498	/nfs/dbraw/zinc/94/84/98/973948498.db2.gz	YEPTUARWRVMEPG-UHFFFAOYSA-N	-1	0	317.345	0.937	20	30		DCEDRM
CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001603779371	974233870	/nfs/dbraw/zinc/23/38/70/974233870.db2.gz	BYRFFUFLKRCIND-GLXFQSAKSA-N	-1	0	314.313	0.741	20	30		DCEDRM
CCOC(=O)Cn1nc(C)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001603800696	974269142	/nfs/dbraw/zinc/26/91/42/974269142.db2.gz	LTHXGVZAMSUQOX-CQSZACIVSA-N	-1	0	322.321	0.698	20	30		DCEDRM
CCOCc1nc([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])no1	ZINC001603843497	974348837	/nfs/dbraw/zinc/34/88/37/974348837.db2.gz	SGZHFYWBUDAKPH-ISVAXAHUSA-N	-1	0	310.310	0.788	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)s2)C1	ZINC000703760189	977191652	/nfs/dbraw/zinc/19/16/52/977191652.db2.gz	BNIWBSAJYYVWQQ-LLVKDONJSA-N	-1	0	316.360	0.484	20	30		DCEDRM
C[C@H](CC#N)C(=O)N1[C@@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-]	ZINC001592213174	977272285	/nfs/dbraw/zinc/27/22/85/977272285.db2.gz	WOAACGCJIBPDEE-OPRDCNLKSA-N	-1	0	313.379	0.417	20	30		DCEDRM
C[C@](CC(=O)[O-])(NC(=O)Cn1cnc(C#N)n1)c1cccnc1	ZINC001592289392	977604759	/nfs/dbraw/zinc/60/47/59/977604759.db2.gz	DSZOEJZLFANYMP-CQSZACIVSA-N	-1	0	314.305	0.051	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl	ZINC000717770075	977916245	/nfs/dbraw/zinc/91/62/45/977916245.db2.gz	OCAJDDYERLRQIG-VIFPVBQESA-N	-1	0	317.750	0.701	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](N(C)C(=O)C#CC(C)C)C2)c1[O-]	ZINC001523094576	1014556191	/nfs/dbraw/zinc/55/61/91/1014556191.db2.gz	DGZYBTDCLDUDDK-LBPRGKRZSA-N	-1	0	318.377	0.756	20	30		DCEDRM
C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)C#CC1CC1	ZINC001592730162	979247709	/nfs/dbraw/zinc/24/77/09/979247709.db2.gz	TWULBCXIMVJSGG-JTQLQIEISA-N	-1	0	302.334	0.269	20	30		DCEDRM
C[C@H](CS(=O)(=O)NCc1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC001592817134	979519603	/nfs/dbraw/zinc/51/96/03/979519603.db2.gz	XHIIZAVKNPZKFO-MRVPVSSYSA-N	-1	0	300.311	0.837	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])o1	ZINC001574250351	983204839	/nfs/dbraw/zinc/20/48/39/983204839.db2.gz	ZHPLFEUYZZZXSP-WPRPVWTQSA-N	-1	0	314.319	0.452	20	30		DCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC	ZINC001588368162	983303596	/nfs/dbraw/zinc/30/35/96/983303596.db2.gz	HOGYZLWSEUDQER-MRVPVSSYSA-N	-1	0	311.315	0.471	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C	ZINC001588370441	983319248	/nfs/dbraw/zinc/31/92/48/983319248.db2.gz	CWGMPKNJMUWOFU-ZCFIWIBFSA-N	-1	0	323.779	0.681	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-])[C@@H]1CCCO1	ZINC001588370796	983322210	/nfs/dbraw/zinc/32/22/10/983322210.db2.gz	NKBUZTXXVKOIST-KOLCDFICSA-N	-1	0	319.317	0.257	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1)[C@H]1CCCO1	ZINC001588372878	983334953	/nfs/dbraw/zinc/33/49/53/983334953.db2.gz	VEBZENWGKDFPJW-ZWNOBZJWSA-N	-1	0	318.333	0.398	20	30		DCEDRM
C#C[C@H](NC(=O)Nc1cc(C(=O)[O-])nn1C)C1CCOCC1	ZINC001588373279	983337272	/nfs/dbraw/zinc/33/72/72/983337272.db2.gz	CLBVDDGQEZIKRK-JTQLQIEISA-N	-1	0	306.322	0.668	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cccnc1C(=O)[O-])[C@@H]1CCCO1	ZINC001588375880	983348252	/nfs/dbraw/zinc/34/82/52/983348252.db2.gz	LMEFQEWXVRNAJQ-ZJUUUORDSA-N	-1	0	310.331	0.239	20	30		DCEDRM
C#CC1(O)CN(C(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)C1	ZINC001588379879	983366022	/nfs/dbraw/zinc/36/60/22/983366022.db2.gz	UWKLBSNPPOYPLT-UHFFFAOYSA-N	-1	0	314.301	0.333	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1cc(C)sc1C(=O)[O-]	ZINC001588383570	983382410	/nfs/dbraw/zinc/38/24/10/983382410.db2.gz	DRGFDUFEVBFLIK-VIFPVBQESA-N	-1	0	322.342	0.554	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC001588383612	983382864	/nfs/dbraw/zinc/38/28/64/983382864.db2.gz	FUPVAZAFSZUYBO-DMTLFAOVSA-N	-1	0	321.354	0.807	20	30		DCEDRM
C#C[C@H]1COCCN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1	ZINC001588384246	983388240	/nfs/dbraw/zinc/38/82/40/983388240.db2.gz	ZYPKABKDRGRPEA-UONOGXRCSA-N	-1	0	305.330	0.459	20	30		DCEDRM
C#CC[C@@H](NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)[O-]	ZINC001588404737	983418995	/nfs/dbraw/zinc/41/89/95/983418995.db2.gz	HJPKGDJQMJXICC-CYBMUJFWSA-N	-1	0	318.329	0.848	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1c(C)nn(COCC)c1C)C(=O)[O-]	ZINC001588405012	983419882	/nfs/dbraw/zinc/41/98/82/983419882.db2.gz	JMMWUAMHHKYZAZ-CYBMUJFWSA-N	-1	0	307.350	0.629	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CSCN1C(=O)/C(C)=C/CC)C(=O)[O-]	ZINC001588407386	983428365	/nfs/dbraw/zinc/42/83/65/983428365.db2.gz	ZGXUJQCHSYUPQG-RZZPXTMHSA-N	-1	0	324.402	0.837	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](NC(=O)N1CCCC1)[C@@H](C)CC)C(=O)[O-]	ZINC001588407520	983428698	/nfs/dbraw/zinc/42/86/98/983428698.db2.gz	JJEUAGJUFPSGGA-AVGNSLFASA-N	-1	0	323.393	0.799	20	30		DCEDRM
C#CC[C@H](NC(=O)Cn1cc(Br)cn1)C(=O)[O-]	ZINC001588407977	983429846	/nfs/dbraw/zinc/42/98/46/983429846.db2.gz	SUSDDUQKCGKJLP-QMMMGPOBSA-N	-1	0	300.112	0.238	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(N2CCCCC2)ncn1)C(=O)[O-]	ZINC001588413831	983432587	/nfs/dbraw/zinc/43/25/87/983432587.db2.gz	JJOSVDJWLLZGKF-LLVKDONJSA-N	-1	0	302.334	0.673	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(Br)nn1C)C(=O)[O-]	ZINC001588414640	983434523	/nfs/dbraw/zinc/43/45/23/983434523.db2.gz	XKLZAUWKIXCMKT-ZCFIWIBFSA-N	-1	0	300.112	0.389	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)C(=O)[O-]	ZINC001588415725	983435676	/nfs/dbraw/zinc/43/56/76/983435676.db2.gz	FYSRKUJRQBGSMK-NSHDSACASA-N	-1	0	302.265	0.613	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cccc(C(=O)N2CCCC2)n1)C(=O)[O-]	ZINC001588416179	983436464	/nfs/dbraw/zinc/43/64/64/983436464.db2.gz	KEAPXVKBABYPQC-CYBMUJFWSA-N	-1	0	315.329	0.524	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cccc2c1O[C@@H](C)C(=O)N2)C(=O)[O-]	ZINC001588416534	983437188	/nfs/dbraw/zinc/43/71/88/983437188.db2.gz	PAPHVDQGOSYKGJ-GZMMTYOYSA-N	-1	0	302.286	0.612	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)CC[C@@H]1CC1(Cl)Cl)C(=O)[O-]	ZINC001588423300	983451828	/nfs/dbraw/zinc/45/18/28/983451828.db2.gz	CLEYYULTLKGIRP-SFYZADRCSA-N	-1	0	314.190	0.966	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc2c[nH]nc2cc1C)C(=O)[O-]	ZINC001588424114	983454823	/nfs/dbraw/zinc/45/48/23/983454823.db2.gz	SIYOIVNMBNWJHH-JTQLQIEISA-N	-1	0	307.331	0.626	20	30		DCEDRM
C#CCC1(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCOCC1	ZINC001588427949	983458989	/nfs/dbraw/zinc/45/89/89/983458989.db2.gz	SHSGUQFPIXMFQG-QWHCGFSZSA-N	-1	0	309.362	0.945	20	30		DCEDRM
C#CCC1(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001588428672	983462999	/nfs/dbraw/zinc/46/29/99/983462999.db2.gz	XIONCXIHSPGAGY-CDJBXZAQSA-N	-1	0	318.373	0.689	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(N(C)C(C)=O)cc1)C(=O)[O-]	ZINC001588428621	983463043	/nfs/dbraw/zinc/46/30/43/983463043.db2.gz	VHZXMYCXGNWURU-CYBMUJFWSA-N	-1	0	324.358	0.424	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588434777	983472324	/nfs/dbraw/zinc/47/23/24/983472324.db2.gz	STJLTFGSAWUBAA-GHMZBOCLSA-N	-1	0	320.349	0.490	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001588435225	983475212	/nfs/dbraw/zinc/47/52/12/983475212.db2.gz	HLBNQUKATSLMBR-LBPRGKRZSA-N	-1	0	316.361	0.921	20	30		DCEDRM
C#CCCOc1ccc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC001588455015	983478311	/nfs/dbraw/zinc/47/83/11/983478311.db2.gz	AJCHXEMLBXADDA-TZMCWYRMSA-N	-1	0	303.314	0.749	20	30		DCEDRM
C#CCN(C1CSC1)S(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC001588464974	983495379	/nfs/dbraw/zinc/49/53/79/983495379.db2.gz	YXZGMKXXIRHMGD-UHFFFAOYSA-N	-1	0	303.405	0.622	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)NCc2ncc(C(=O)[O-])s2)C1	ZINC001588475412	983508463	/nfs/dbraw/zinc/50/84/63/983508463.db2.gz	DKLQBDOIBMVGTG-SNVBAGLBSA-N	-1	0	322.390	0.738	20	30		DCEDRM
C#CCNC(=O)COC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1	ZINC001588483897	983522334	/nfs/dbraw/zinc/52/23/34/983522334.db2.gz	MHYIXOJRFRHJMI-WBMJQRKESA-N	-1	0	301.298	0.538	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1OC	ZINC001588490222	983531190	/nfs/dbraw/zinc/53/11/90/983531190.db2.gz	ITQDLIGMAYOAPJ-QMTHXVAHSA-N	-1	0	321.329	0.984	20	30		DCEDRM
C#CCOCCC(=O)N[C@H](C)[C@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001588490237	983531263	/nfs/dbraw/zinc/53/12/63/983531263.db2.gz	WHXJHMJDXCYNQH-MNOVXSKESA-N	-1	0	320.349	0.520	20	30		DCEDRM
C#CCO[C@H](C)C(=O)O[C@@H]1C[C@H](C(=O)[O-])N(c2cnccn2)C1	ZINC001588490614	983533364	/nfs/dbraw/zinc/53/33/64/983533364.db2.gz	RNCFHEIPWPSZRG-IJLUTSLNSA-N	-1	0	319.317	0.090	20	30		DCEDRM
C#Cc1ccc(CNS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1	ZINC001588517256	983563932	/nfs/dbraw/zinc/56/39/32/983563932.db2.gz	PPAUZRGYPIIIAJ-UHFFFAOYSA-N	-1	0	319.342	0.876	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CNC(=O)c1cccc(O)c1)C(=O)[O-]	ZINC001588542871	983610014	/nfs/dbraw/zinc/61/00/14/983610014.db2.gz	SPEOWBLACJRGMM-LBPRGKRZSA-N	-1	0	306.318	0.658	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1nc(-c2cnccn2)no1)C(=O)[O-]	ZINC001588547881	983621798	/nfs/dbraw/zinc/62/17/98/983621798.db2.gz	IECYLSXYLBRPMB-QMMMGPOBSA-N	-1	0	303.278	0.676	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1cncc(-n2ccnn2)c1)C(=O)[O-]	ZINC001588548216	983623577	/nfs/dbraw/zinc/62/35/77/983623577.db2.gz	NYFVHLZKCWIVGY-LBPRGKRZSA-N	-1	0	301.306	0.812	20	30		DCEDRM
C=C(C)CN1CC(OC2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)C1	ZINC001588585161	983662904	/nfs/dbraw/zinc/66/29/04/983662904.db2.gz	LMSQUEIZZPFUEI-GJZGRUSLSA-N	-1	0	322.405	0.975	20	30		DCEDRM
C=C(C)Cn1c(CCO)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588597896	983681081	/nfs/dbraw/zinc/68/10/81/983681081.db2.gz	MYZGDHKESXOCQW-CQSZACIVSA-N	-1	0	310.354	0.069	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1	ZINC001588605469	983693264	/nfs/dbraw/zinc/69/32/64/983693264.db2.gz	IMPHBAHACYRTSV-GIPNMCIBSA-N	-1	0	309.322	0.948	20	30		DCEDRM
C=C(CC)Cn1nnnc1N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588606690	983698098	/nfs/dbraw/zinc/69/80/98/983698098.db2.gz	FICJREIABIFQLR-CYBMUJFWSA-N	-1	0	306.326	0.449	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(c2nc(=N)n(C)[nH]2)CC1	ZINC001588613693	983704722	/nfs/dbraw/zinc/70/47/22/983704722.db2.gz	CHVQVKJJZYKEMP-UHFFFAOYSA-N	-1	0	307.354	0.355	20	30		DCEDRM
C=CC(C)(C)CCn1nnnc1N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588676873	983832112	/nfs/dbraw/zinc/83/21/12/983832112.db2.gz	GZTRRLHUCMMLKG-GFCCVEGCSA-N	-1	0	323.397	0.937	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1	ZINC001588681451	983840240	/nfs/dbraw/zinc/84/02/40/983840240.db2.gz	WWSGZYKJVRUULW-BONVTDFDSA-N	-1	0	322.365	0.088	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)NCc1ccc(C(=O)[O-])s1	ZINC001588693070	983890075	/nfs/dbraw/zinc/89/00/75/983890075.db2.gz	QPCISARRQNMFCV-QMMMGPOBSA-N	-1	0	312.347	0.380	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001588693341	983893569	/nfs/dbraw/zinc/89/35/69/983893569.db2.gz	WSSJQPUJJROCQT-MRVPVSSYSA-N	-1	0	310.281	0.780	20	30		DCEDRM
C=C[C@@H](O)C(=O)N[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O	ZINC001588705175	983926467	/nfs/dbraw/zinc/92/64/67/983926467.db2.gz	KUOOFSCSDIAVMD-VXGBXAGGSA-N	-1	0	304.302	0.301	20	30		DCEDRM
C=C[C@H](OC(=O)CCNS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC001588712093	983941673	/nfs/dbraw/zinc/94/16/73/983941673.db2.gz	TUOBFZDKUKSLMT-QMMMGPOBSA-N	-1	0	319.360	0.599	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC001588745039	984048241	/nfs/dbraw/zinc/04/82/41/984048241.db2.gz	UEIAGPGFNQJPSM-CYBMUJFWSA-N	-1	0	320.345	0.696	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588745417	984051842	/nfs/dbraw/zinc/05/18/42/984051842.db2.gz	YYKGIAQURGSVEA-LLVKDONJSA-N	-1	0	306.318	0.305	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-]	ZINC001588753790	984088683	/nfs/dbraw/zinc/08/86/83/984088683.db2.gz	NJDBMNXQSHQSJI-ZJUUUORDSA-N	-1	0	305.352	0.373	20	30		DCEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001588770996	984136888	/nfs/dbraw/zinc/13/68/88/984136888.db2.gz	KZOSOEGSNVPZNK-VWYCJHECSA-N	-1	0	300.330	0.776	20	30		DCEDRM
C=CCC[C@H](CO)NS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588778941	984163474	/nfs/dbraw/zinc/16/34/74/984163474.db2.gz	OAONOJYSSWHUPX-SECBINFHSA-N	-1	0	300.336	0.385	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H](CCC)S(N)(=O)=O)C(=O)[O-]	ZINC001588786725	984184717	/nfs/dbraw/zinc/18/47/17/984184717.db2.gz	RDPDDSQVQMAHID-UWVGGRQHSA-N	-1	0	306.384	0.369	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)Cc1ccc(C(N)=O)nc1)C(=O)[O-]	ZINC001588788657	984191747	/nfs/dbraw/zinc/19/17/47/984191747.db2.gz	JHSDKYFSUOVHEK-GFCCVEGCSA-N	-1	0	305.334	0.649	20	30		DCEDRM
C=CCCC[C@H](NC(=O)Cn1ccc(C(=O)OC)n1)C(=O)[O-]	ZINC001588794442	984227181	/nfs/dbraw/zinc/22/71/81/984227181.db2.gz	UNFDQCFSRAOCQV-JTQLQIEISA-N	-1	0	309.322	0.595	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)CC1(N(C)C)CC1)C(=O)[O-]	ZINC001588797294	984228850	/nfs/dbraw/zinc/22/88/50/984228850.db2.gz	BSIYCAHQLGKBLJ-LLVKDONJSA-N	-1	0	304.412	0.810	20	30		DCEDRM
C=CCCCNC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001588803773	984252247	/nfs/dbraw/zinc/25/22/47/984252247.db2.gz	JTIBDXHTLDMOHD-OAHLLOKOSA-N	-1	0	311.382	0.524	20	30		DCEDRM
C=CCCCS(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC001588804025	984253545	/nfs/dbraw/zinc/25/35/45/984253545.db2.gz	VVTSZBHHPYTFDK-UHFFFAOYSA-N	-1	0	320.411	0.001	20	30		DCEDRM
C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-]	ZINC001588814898	984273936	/nfs/dbraw/zinc/27/39/36/984273936.db2.gz	XQDYFMSZCSEPQS-LBPRGKRZSA-N	-1	0	320.345	0.696	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])nn2C)C1=O	ZINC001588836882	984330758	/nfs/dbraw/zinc/33/07/58/984330758.db2.gz	LRIWXDNVSHSWJE-JTQLQIEISA-N	-1	0	321.337	0.369	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588850906	984381226	/nfs/dbraw/zinc/38/12/26/984381226.db2.gz	KAWKCXFFVSLQDT-FDYHWXHSSA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)C(=O)[O-]	ZINC001588851187	984383747	/nfs/dbraw/zinc/38/37/47/984383747.db2.gz	XTOOSOVKASGLJP-BXUZGUMPSA-N	-1	0	300.355	0.309	20	30		DCEDRM
C=CCOC[C@H](NC(=O)/C=C\COC1CCOCC1)C(=O)[O-]	ZINC001588853753	984385563	/nfs/dbraw/zinc/38/55/63/984385563.db2.gz	HHNAAQWDYOSLKV-SCOBNMCVSA-N	-1	0	313.350	0.510	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)CCc1ccccc1)C(=O)[O-]	ZINC001588866788	984427740	/nfs/dbraw/zinc/42/77/40/984427740.db2.gz	QCXXJTJEJQAAMR-CYBMUJFWSA-N	-1	0	313.375	0.804	20	30		DCEDRM
C=CCOc1cccnc1C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001588877443	984453360	/nfs/dbraw/zinc/45/33/60/984453360.db2.gz	PSSHTBCXKGRRHK-UHFFFAOYSA-N	-1	0	317.305	0.366	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588879146	984456864	/nfs/dbraw/zinc/45/68/64/984456864.db2.gz	SURXDHMSHKAOHW-GHMZBOCLSA-N	-1	0	314.407	0.591	20	30		DCEDRM
C=CCn1c([C@H](O)C(C)C)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588895815	984496664	/nfs/dbraw/zinc/49/66/64/984496664.db2.gz	MYKGTHNDVHYUDP-WDEREUQCSA-N	-1	0	310.354	0.443	20	30		DCEDRM
C=CCn1c(CCC)nnc1N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588897921	984514641	/nfs/dbraw/zinc/51/46/41/984514641.db2.gz	PGIGQSCATCXMFA-WDEREUQCSA-N	-1	0	322.365	0.727	20	30		DCEDRM
C=CCn1c(C[S@](C)=O)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588900102	984519430	/nfs/dbraw/zinc/51/94/30/984519430.db2.gz	AATFDPOAYULWCF-NRFANRHFSA-N	-1	0	312.395	0.644	20	30		DCEDRM
C=CCn1cc(CNc2cc(C)nc3nc(C(=O)[O-])nn32)nn1	ZINC001588909427	984544155	/nfs/dbraw/zinc/54/41/55/984544155.db2.gz	TVSVIDADVUGDFK-UHFFFAOYSA-N	-1	0	314.309	0.521	20	30		DCEDRM
C=C[C@H](CO)NC(=O)c1ccc(OCC(=O)[O-])c(OCC)c1	ZINC001588919334	984571233	/nfs/dbraw/zinc/57/12/33/984571233.db2.gz	HZNIZKGNASLIBW-LLVKDONJSA-N	-1	0	309.318	0.825	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC001588925512	984587564	/nfs/dbraw/zinc/58/75/64/984587564.db2.gz	RXEWEYVEGRIOGW-SECBINFHSA-N	-1	0	315.347	0.593	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588926043	984591044	/nfs/dbraw/zinc/59/10/44/984591044.db2.gz	GWKWXNMIDJIQFE-WDEREUQCSA-N	-1	0	320.349	0.490	20	30		DCEDRM
COCCCn1cc(C([O-])=C(C#N)C(=O)c2nccn2C)cn1	ZINC001524761306	1015048486	/nfs/dbraw/zinc/04/84/86/1015048486.db2.gz	FKJNOVDBJMGYHM-LBPRGKRZSA-N	-1	0	315.333	0.858	20	30		DCEDRM
C/C(=C/C(=O)N1CCC(C#N)(C(=O)[O-])CC1)CN1CCOCC1	ZINC001588937732	984618343	/nfs/dbraw/zinc/61/83/43/984618343.db2.gz	QLXDXHZIJFPSCW-RAXLEYEMSA-N	-1	0	321.377	0.482	20	30		DCEDRM
CCCC[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001383212051	984720742	/nfs/dbraw/zinc/72/07/42/984720742.db2.gz	HGZRQKXRRWWGJT-GXSJLCMTSA-N	-1	0	321.381	0.988	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)CC#Cc1ccccc1)C(=O)[O-]	ZINC001599895322	984745721	/nfs/dbraw/zinc/74/57/21/984745721.db2.gz	MWGIIBZYLZOMLE-RYUDHWBXSA-N	-1	0	302.330	0.522	20	30		DCEDRM
CCO[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)[C@H]1CCOC1	ZINC001596760357	985138245	/nfs/dbraw/zinc/13/82/45/985138245.db2.gz	BFEVRDQDHYQLHU-RYUDHWBXSA-N	-1	0	310.350	0.645	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCOCC(=O)[O-]	ZINC001599940900	985453179	/nfs/dbraw/zinc/45/31/79/985453179.db2.gz	XLJCQPXXVYTCMV-UHFFFAOYSA-N	-1	0	321.333	0.426	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CC(N(C)C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001384460301	985599530	/nfs/dbraw/zinc/59/95/30/985599530.db2.gz	LUKFYOMJRRDCKP-CUUXFQNZSA-N	-1	0	305.338	0.303	20	30		DCEDRM
C[C@H]1CN(C(=O)c2cnccc2C#N)CCN1CCC(=O)[O-]	ZINC001594496783	985650239	/nfs/dbraw/zinc/65/02/39/985650239.db2.gz	ZLQGGCZAHGUFNS-NSHDSACASA-N	-1	0	302.334	0.574	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccnc1C#N	ZINC001596884476	985771189	/nfs/dbraw/zinc/77/11/89/985771189.db2.gz	KJHGRAZDVUDVTG-JTQLQIEISA-N	-1	0	313.335	0.063	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)s1	ZINC001596884757	985776966	/nfs/dbraw/zinc/77/69/66/985776966.db2.gz	QIIDHQYZWZHVRQ-VIFPVBQESA-N	-1	0	318.376	0.730	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@](C)(CNc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001589329019	986159713	/nfs/dbraw/zinc/15/97/13/986159713.db2.gz	HNOWYNKIALVZRY-VFZGTOFNSA-N	-1	0	317.349	0.453	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@]1(C)CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001589330096	986170335	/nfs/dbraw/zinc/17/03/35/986170335.db2.gz	YEPWMBFSMYQGMR-YMTOWFKASA-N	-1	0	303.322	0.419	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCc1ncc(C(=O)[O-])s1	ZINC001589330365	986171580	/nfs/dbraw/zinc/17/15/80/986171580.db2.gz	BOKYLYBMKFENJY-SSDOTTSWSA-N	-1	0	318.380	0.267	20	30		DCEDRM
C[C@@H](C#N)CNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC001589330388	986172050	/nfs/dbraw/zinc/17/20/50/986172050.db2.gz	CIDIITIBWWYNES-QMMMGPOBSA-N	-1	0	306.278	0.981	20	30		DCEDRM
C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001589330399	986172284	/nfs/dbraw/zinc/17/22/84/986172284.db2.gz	CQLKTUQAMFWTTD-SECBINFHSA-N	-1	0	312.351	0.280	20	30		DCEDRM
C[C@@H](C(=O)N(CC(=O)[O-])c1cccc(F)c1)n1cnc(C#N)n1	ZINC001589342044	986263052	/nfs/dbraw/zinc/26/30/52/986263052.db2.gz	UBIBBSMSCFRDNB-VIFPVBQESA-N	-1	0	317.280	0.968	20	30		DCEDRM
C[C@H](C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)n1cnc(C#N)n1	ZINC001589364993	986387759	/nfs/dbraw/zinc/38/77/59/986387759.db2.gz	MYLMEAAVGLARLV-RULNRJAQSA-N	-1	0	303.322	0.567	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](CNC(=O)[C@@H](C)C#N)C2CC2)c1[O-]	ZINC001385776772	986588154	/nfs/dbraw/zinc/58/81/54/986588154.db2.gz	FNTRAPFZLNFFAN-XVKPBYJWSA-N	-1	0	305.338	0.208	20	30		DCEDRM
C[C@@H]1OC(=O)N[C@H]1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001594630693	986722452	/nfs/dbraw/zinc/72/24/52/986722452.db2.gz	BGCSCZQMMWDZHO-XROYCOCOSA-N	-1	0	304.258	0.724	20	30		DCEDRM
C[C@@H](C(=O)Oc1ccccc1CC(=O)[O-])n1cnc(C#N)n1	ZINC001589553646	987292668	/nfs/dbraw/zinc/29/26/68/987292668.db2.gz	PRYDYNQYZTVSFH-VIFPVBQESA-N	-1	0	300.274	0.943	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@H](CF)C(=O)[O-]	ZINC001589866403	988471303	/nfs/dbraw/zinc/47/13/03/988471303.db2.gz	FBYJTJDJZHMNQX-OQPBUACISA-N	-1	0	302.302	0.787	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H](O)CC(=O)[O-]	ZINC001589867417	988487381	/nfs/dbraw/zinc/48/73/81/988487381.db2.gz	WOVHQOAXTLJVOW-LKFCYVNXSA-N	-1	0	314.338	0.200	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001589909922	988641033	/nfs/dbraw/zinc/64/10/33/988641033.db2.gz	PZEGSQZCYXDJQJ-LMLFDSFASA-N	-1	0	323.349	0.582	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001599868506	989310315	/nfs/dbraw/zinc/31/03/15/989310315.db2.gz	YKSMKPSKTMRERH-MFKMUULPSA-N	-1	0	324.358	0.615	20	30		DCEDRM
CN(C(=O)C#CC1CC1)[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001597981972	990048639	/nfs/dbraw/zinc/04/86/39/990048639.db2.gz	IKTOHMXDBWNLGA-CYBMUJFWSA-N	-1	0	314.345	0.625	20	30		DCEDRM
CN(C(=O)C#CC1CC1)[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001597981974	990049094	/nfs/dbraw/zinc/04/90/94/990049094.db2.gz	IKTOHMXDBWNLGA-ZDUSSCGKSA-N	-1	0	314.345	0.625	20	30		DCEDRM
CN(C(=O)Cn1cccc(C(=O)[O-])c1=O)[C@@H]1CCC[C@H]1C#N	ZINC001598041693	990276842	/nfs/dbraw/zinc/27/68/42/990276842.db2.gz	UTSCVMJIMBGTAX-CMPLNLGQSA-N	-1	0	303.318	0.697	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001590927017	990929712	/nfs/dbraw/zinc/92/97/12/990929712.db2.gz	OXJUMNPYCAFCCQ-KGLIPLIRSA-N	-1	0	320.389	0.721	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001590927900	990937745	/nfs/dbraw/zinc/93/77/45/990937745.db2.gz	NJFKNPLHAHMRQI-QNWHQSFQSA-N	-1	0	306.362	0.378	20	30		DCEDRM
CN(CC(C)(C)O)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598424025	991768122	/nfs/dbraw/zinc/76/81/22/991768122.db2.gz	MPTVLBUELDDPGZ-UHFFFAOYSA-N	-1	0	312.347	0.648	20	30		DCEDRM
CC(C)C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H](C)C#N	ZINC001591163088	991929237	/nfs/dbraw/zinc/92/92/37/991929237.db2.gz	XZHYRMRQWUNJIE-WDEREUQCSA-N	-1	0	319.365	0.699	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21	ZINC001598468824	991991977	/nfs/dbraw/zinc/99/19/77/991991977.db2.gz	LOSAGVBEMZTHKL-SRVKXCTJSA-N	-1	0	315.395	0.652	20	30		DCEDRM
CN(CCCNc1ncc(C(=O)[O-])cn1)C(=O)CSCC#N	ZINC001598483182	992182469	/nfs/dbraw/zinc/18/24/69/992182469.db2.gz	OIYYLDHHIAKRSX-UHFFFAOYSA-N	-1	0	323.378	0.692	20	30		DCEDRM
CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)CSCC#N	ZINC001598483641	992187181	/nfs/dbraw/zinc/18/71/81/992187181.db2.gz	XLHXATHBGHBUMF-UHFFFAOYSA-N	-1	0	323.378	0.114	20	30		DCEDRM
CC(C)CN(CCC#N)C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001591322076	992290765	/nfs/dbraw/zinc/29/07/65/992290765.db2.gz	OTAAAJJRFGAYGL-UHFFFAOYSA-N	-1	0	305.334	0.945	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1cc(C#N)c[nH]1)C(=O)[O-]	ZINC001591458472	992569197	/nfs/dbraw/zinc/56/91/97/992569197.db2.gz	JVGGMKLGJJFQKJ-NSHDSACASA-N	-1	0	306.322	0.232	20	30		DCEDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)CC#Cc2ccccc2)CC1=O	ZINC001598561952	993097147	/nfs/dbraw/zinc/09/71/47/993097147.db2.gz	HOCXVLDBTJNRKR-ZDUSSCGKSA-N	-1	0	300.314	0.182	20	30		DCEDRM
COc1ccc(S(=O)(=O)N2CC(CC#N)C2)c(CC(=O)[O-])c1	ZINC001599609870	993937773	/nfs/dbraw/zinc/93/77/73/993937773.db2.gz	WACGPWHERGKBLI-UHFFFAOYSA-N	-1	0	324.358	0.856	20	30		DCEDRM
C[C@@H](NC(=O)c1ccccc1)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001593176110	994052539	/nfs/dbraw/zinc/05/25/39/994052539.db2.gz	LAVXUSBAQOVESK-LLVKDONJSA-N	-1	0	303.318	0.632	20	30		DCEDRM
C[C@@H](N[C@H](Cc1cncs1)C(=O)[O-])C(=O)N(C)CCC#N	ZINC001593211336	994264633	/nfs/dbraw/zinc/26/46/33/994264633.db2.gz	WRVSYNGESVXXFR-MWLCHTKSSA-N	-1	0	310.379	0.489	20	30		DCEDRM
CNC(=O)NC1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001598650424	994433626	/nfs/dbraw/zinc/43/36/26/994433626.db2.gz	AXWMRYQBBZLKME-UHFFFAOYSA-N	-1	0	303.322	0.549	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)/C=C\C(=O)c1ccc(C)cc1	ZINC001598695694	995133823	/nfs/dbraw/zinc/13/38/23/995133823.db2.gz	WTFIREDLURDLST-KRZKBDHCSA-N	-1	0	319.313	0.866	20	30		DCEDRM
C[C@](O)(CNC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001593400408	995156558	/nfs/dbraw/zinc/15/65/58/995156558.db2.gz	AQDQWAIYCRBVLS-AWEZNQCLSA-N	-1	0	308.359	0.743	20	30		DCEDRM
COC(=O)[C@H](N[C@@H]1CCO[C@@H]1C(=O)[O-])c1cccc(C#N)c1	ZINC001598713940	995381364	/nfs/dbraw/zinc/38/13/64/995381364.db2.gz	PSUAALGMJPCXLB-UPJWGTAASA-N	-1	0	304.302	0.604	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1c[nH]c(C#N)c1	ZINC001598747129	995605773	/nfs/dbraw/zinc/60/57/73/995605773.db2.gz	WGRWADBPBAZIFE-KWQFWETISA-N	-1	0	305.290	0.365	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)[nH]1	ZINC001598749355	995632249	/nfs/dbraw/zinc/63/22/49/995632249.db2.gz	FHIHTYPSHHQZKM-KWQFWETISA-N	-1	0	305.290	0.365	20	30		DCEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001465363385	1015998553	/nfs/dbraw/zinc/99/85/53/1015998553.db2.gz	JQRPPXQNASKXJF-BMIGLBTASA-N	-1	0	315.333	0.409	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@H]1C(=O)[O-]	ZINC001598806009	996187369	/nfs/dbraw/zinc/18/73/69/996187369.db2.gz	GJLQVVJBPNMYJH-MNOVXSKESA-N	-1	0	308.334	0.793	20	30		DCEDRM
CC1(C#N)CN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1	ZINC001593742573	996361269	/nfs/dbraw/zinc/36/12/69/996361269.db2.gz	BIYSXLXNWFSALL-AWEZNQCLSA-N	-1	0	313.357	0.870	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CCO1	ZINC001593742638	996361379	/nfs/dbraw/zinc/36/13/79/996361379.db2.gz	BYEWBPKKCVIMLE-ZDUSSCGKSA-N	-1	0	310.331	0.688	20	30		DCEDRM
CC1(C#N)CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	ZINC001593742877	996363071	/nfs/dbraw/zinc/36/30/71/996363071.db2.gz	INTAORYOCNBSPN-GDLVEWKHSA-N	-1	0	319.361	0.508	20	30		DCEDRM
C[C@@]1(C#N)CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001593742909	996363775	/nfs/dbraw/zinc/36/37/75/996363775.db2.gz	JRHPUQVIEZHYCT-AWEZNQCLSA-N	-1	0	302.290	0.480	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)C1	ZINC001593762564	996431957	/nfs/dbraw/zinc/43/19/57/996431957.db2.gz	OKFALCGSGBZEGQ-MLGOLLRUSA-N	-1	0	321.377	0.852	20	30		DCEDRM
COC(=O)C[C@@H](NC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC001598838646	996506487	/nfs/dbraw/zinc/50/64/87/996506487.db2.gz	YTYVBRIEIULACQ-LLVKDONJSA-N	-1	0	306.274	0.070	20	30		DCEDRM
CC1(C)CCCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001593904048	996779993	/nfs/dbraw/zinc/77/99/93/996779993.db2.gz	XNPGEKUUMYYALO-UHFFFAOYSA-N	-1	0	321.377	0.852	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(c2nnc(CCCCC#N)n2C)C1	ZINC001599080460	996985685	/nfs/dbraw/zinc/98/56/85/996985685.db2.gz	KVCPXFJCWXVBAF-AWEZNQCLSA-N	-1	0	307.354	0.731	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ncc(C#N)cc1C	ZINC001599192619	997150837	/nfs/dbraw/zinc/15/08/37/997150837.db2.gz	QQWQZIDFYZVPRB-HNNXBMFYSA-N	-1	0	303.318	0.968	20	30		DCEDRM
COc1cc(CCC(=O)N(CC#N)CC(=O)[O-])cc(OC)c1O	ZINC001599402389	997237292	/nfs/dbraw/zinc/23/72/92/997237292.db2.gz	IOKPIBIJVHHUSP-UHFFFAOYSA-N	-1	0	322.317	0.779	20	30		DCEDRM
C[C@]1(CCC(=O)[O-])NC(=O)N(CN2CCC(CC#N)CC2)C1=O	ZINC001594003240	997397409	/nfs/dbraw/zinc/39/74/09/997397409.db2.gz	RTZBDSCEEUZHMO-OAHLLOKOSA-N	-1	0	322.365	0.745	20	30		DCEDRM
CON=Cc1ccc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])cc1	ZINC001599321240	997585413	/nfs/dbraw/zinc/58/54/13/997585413.db2.gz	WDMUIIAQVJPLTO-LBPRGKRZSA-N	-1	0	322.317	0.613	20	30		DCEDRM
COCCC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCN(CC#N)CC1	ZINC001599220303	997655337	/nfs/dbraw/zinc/65/53/37/997655337.db2.gz	XSXDKTJYKCGFBA-VXGBXAGGSA-N	-1	0	309.366	0.218	20	30		DCEDRM
COCCCNC(=O)[C@@H](C#N)C(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001599225326	997747867	/nfs/dbraw/zinc/74/78/67/997747867.db2.gz	FBVVYFJALFHQCA-ZDUSSCGKSA-N	-1	0	318.329	0.789	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001599235771	997943480	/nfs/dbraw/zinc/94/34/80/997943480.db2.gz	PJUTVVFWDWZGKL-UHFFFAOYSA-N	-1	0	313.335	0.331	20	30		DCEDRM
COC(=O)c1cccc(NC(=O)CN(CC#N)CCC(=O)[O-])c1	ZINC001598999978	998815328	/nfs/dbraw/zinc/81/53/28/998815328.db2.gz	QSOHHRLICVYNIU-UHFFFAOYSA-N	-1	0	319.317	0.712	20	30		DCEDRM
CO[C@@H](CS(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1CC1	ZINC001599056987	999237301	/nfs/dbraw/zinc/23/73/01/999237301.db2.gz	DXJBFESQIVMMRR-NSHDSACASA-N	-1	0	316.379	0.432	20	30		DCEDRM
Cc1cc(NC(=O)c2cc(C(=O)[O-])nn2C)nn1CCC#N	ZINC001594324569	999252267	/nfs/dbraw/zinc/25/22/67/999252267.db2.gz	FHGSECQKTLGIEC-UHFFFAOYSA-N	-1	0	302.294	0.789	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)CNc2ccc(C#N)cc2)C1	ZINC001599069076	999318789	/nfs/dbraw/zinc/31/87/89/999318789.db2.gz	WXMAUZBVQQVZGP-HNNXBMFYSA-N	-1	0	303.318	0.672	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC[C@H]2CCCOC2)c(=O)[n-]c1=O	ZINC001418553876	1000340417	/nfs/dbraw/zinc/34/04/17/1000340417.db2.gz	FIKSXOGTRPEWCX-LLVKDONJSA-N	-1	0	320.349	0.144	20	30		DCEDRM
COC[C@H](NC(=O)Cc1ccccc1CC#N)c1nnn[n-]1	ZINC001419552090	1001135191	/nfs/dbraw/zinc/13/51/91/1001135191.db2.gz	JWXSWYPYFJHOPS-LBPRGKRZSA-N	-1	0	300.322	0.312	20	30		DCEDRM
CO[C@]1(C(=O)Nc2cc(C#N)ccc2[O-])CCS(=O)(=O)C1	ZINC001546332538	1016560708	/nfs/dbraw/zinc/56/07/08/1016560708.db2.gz	IGJQOKBWPROATK-CYBMUJFWSA-N	-1	0	310.331	0.406	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H](C)CNC(=O)c1cc(=O)[nH]c(C2CC2)n1	ZINC001416940903	1005763749	/nfs/dbraw/zinc/76/37/49/1005763749.db2.gz	WILUZIWRAZBUBM-IUCAKERBSA-N	-1	0	317.349	0.454	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1nnn[n-]1	ZINC001417565859	1005844776	/nfs/dbraw/zinc/84/47/76/1005844776.db2.gz	DEELBLKCPHJWIZ-UHFFFAOYSA-N	-1	0	301.310	0.384	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2CCC[C@H](F)C2)c(=O)[n-]c1=O	ZINC001418180003	1006134934	/nfs/dbraw/zinc/13/49/34/1006134934.db2.gz	ZHLZSESROOLRHY-WDEREUQCSA-N	-1	0	308.313	0.608	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CC[C@](O)(CC#N)C2)cc1=O	ZINC001452255917	1006687807	/nfs/dbraw/zinc/68/78/07/1006687807.db2.gz	ZPZLUMYDLIZFGJ-OAHLLOKOSA-N	-1	0	306.366	0.252	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CC(c3ccccn3)=NO2)[n-]c1C#N	ZINC001452534495	1006901915	/nfs/dbraw/zinc/90/19/15/1006901915.db2.gz	QUPRFXBBDKWHOT-LBPRGKRZSA-N	-1	0	307.273	0.680	20	30		DCEDRM
C=C(Cl)CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1	ZINC001437814039	1007426669	/nfs/dbraw/zinc/42/66/69/1007426669.db2.gz	KJPFXAPIVMBSRL-UHFFFAOYSA-N	-1	0	315.761	0.022	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)Nc2cnn(C)c(=O)c2)cc1C#N	ZINC001433563866	1008941513	/nfs/dbraw/zinc/94/15/13/1008941513.db2.gz	HUDLIGLYHVJJMQ-UHFFFAOYSA-N	-1	0	317.330	0.727	20	30		DCEDRM
CC(C)n1nccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001433589179	1008971041	/nfs/dbraw/zinc/97/10/41/1008971041.db2.gz	NWYMCFANFFFBDE-UHFFFAOYSA-N	-1	0	302.294	0.237	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)c1nnc2n1CCC2	ZINC001433621228	1009013232	/nfs/dbraw/zinc/01/32/32/1009013232.db2.gz	NUXIOKZIYYRVPS-SECBINFHSA-N	-1	0	312.333	0.996	20	30		DCEDRM
CC(C)(C)CN(CCC#N)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001433669988	1009051010	/nfs/dbraw/zinc/05/10/10/1009051010.db2.gz	BYVGQTHUKPXBIE-UHFFFAOYSA-N	-1	0	317.349	0.609	20	30		DCEDRM
C[C@@H]1C[C@@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H](C)O1	ZINC001434095283	1009554808	/nfs/dbraw/zinc/55/48/08/1009554808.db2.gz	HKJQURTZPHOHJA-VWYCJHECSA-N	-1	0	320.349	0.140	20	30		DCEDRM
CO[C@]1(CO)CCCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001434163909	1009625474	/nfs/dbraw/zinc/62/54/74/1009625474.db2.gz	VOLYVJSTFJABPJ-OAHLLOKOSA-N	-1	0	305.334	0.581	20	30		DCEDRM
CC(C)n1cnc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001434205561	1009662785	/nfs/dbraw/zinc/66/27/85/1009662785.db2.gz	BGSROLUJZRRYMU-UHFFFAOYSA-N	-1	0	316.321	0.028	20	30		DCEDRM
Cn1c(=O)[n-]c(SCC(=O)Nc2ccccc2)c(C#N)c1=O	ZINC001434443702	1009961325	/nfs/dbraw/zinc/96/13/25/1009961325.db2.gz	IIQHNRJZGOIBRE-UHFFFAOYSA-N	-1	0	316.342	0.676	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCNC(=O)[C@H]1C(C)C	ZINC001443264668	1010276708	/nfs/dbraw/zinc/27/67/08/1010276708.db2.gz	XYDPVNFGJRAHBW-GFCCVEGCSA-N	-1	0	302.334	0.564	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@@H](NC(=O)[C@H](C)C#N)C(C)C)c1[O-]	ZINC001443590241	1010518421	/nfs/dbraw/zinc/51/84/21/1010518421.db2.gz	AJUPRMDDEAMIOQ-MWLCHTKSSA-N	-1	0	321.381	0.844	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cc(F)c(F)c(F)c2)c(=O)[n-]c1=O	ZINC001444590904	1011079932	/nfs/dbraw/zinc/07/99/32/1011079932.db2.gz	AIRSIEVUTLKOCT-UHFFFAOYSA-N	-1	0	324.218	0.877	20	30		DCEDRM
C#CC[C@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC)C1	ZINC001520932097	1017318717	/nfs/dbraw/zinc/31/87/17/1017318717.db2.gz	JNARZNJFOPYXPO-NSHDSACASA-N	-1	0	300.366	0.762	20	30		DCEDRM
CNC(=O)Oc1cccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001458390841	1012165321	/nfs/dbraw/zinc/16/53/21/1012165321.db2.gz	DBBXBLGWRXQSJC-UHFFFAOYSA-N	-1	0	315.289	0.407	20	30		DCEDRM
CN(CCc1cccc(C#N)c1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001458552911	1012214973	/nfs/dbraw/zinc/21/49/73/1012214973.db2.gz	YHSNZBWLXHFQKJ-UHFFFAOYSA-N	-1	0	309.329	0.496	20	30		DCEDRM
Cn1ccc(-c2nc(Cn3c(=O)[n-]cc(C#N)c3=O)cs2)n1	ZINC001559428581	1012420255	/nfs/dbraw/zinc/42/02/55/1012420255.db2.gz	NXJZEDCGKDSESF-UHFFFAOYSA-N	-1	0	314.330	0.314	20	30		DCEDRM
Cc1cc(=O)n2nc(NC(=O)c3ccc(C#N)s3)[n-]c2n1	ZINC001544983303	1012554575	/nfs/dbraw/zinc/55/45/75/1012554575.db2.gz	UQMLTZCYEYJRQQ-UHFFFAOYSA-N	-1	0	300.303	0.912	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001506737777	1017493017	/nfs/dbraw/zinc/49/30/17/1017493017.db2.gz	RZRCBRNDIUGESJ-ZUZCIYMTSA-N	-1	0	323.397	0.164	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001498394732	1019053711	/nfs/dbraw/zinc/05/37/11/1019053711.db2.gz	YPWOAAGWTFUHRC-OAHLLOKOSA-N	-1	0	306.366	0.967	20	30		DCEDRM
C=C(C)[C@H](CC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)OCC	ZINC001498985538	1019615669	/nfs/dbraw/zinc/61/56/69/1019615669.db2.gz	JBUXXDQGNIADKR-NEPJUHHUSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1sccc1C#N	ZINC001609834595	1171099711	/nfs/dbraw/zinc/09/97/11/1171099711.db2.gz	NFYZQNXLAPRCRS-CBAPKCEASA-N	-1	0	307.331	0.880	20	30		DCEDRM
COCCn1[n-]c(C)c(C(=O)Nc2ccc(C#N)cc2)c1=O	ZINC000182237387	199408443	/nfs/dbraw/zinc/40/84/43/199408443.db2.gz	BTKLBUXFMJFDCJ-CYBMUJFWSA-N	-1	0	300.318	0.977	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000279085887	238340125	/nfs/dbraw/zinc/34/01/25/238340125.db2.gz	BUNQHAIPNVOUGJ-KWQFWETISA-N	-1	0	309.288	0.734	20	30		DCEDRM
C[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000496328453	241243751	/nfs/dbraw/zinc/24/37/51/241243751.db2.gz	RDWITGYSIXYBED-QMMMGPOBSA-N	-1	0	305.356	0.259	20	30		DCEDRM
C[C@@H]1C(=O)N(C)S(=O)(=O)N1CCOc1ccccc1C#N	ZINC000282871142	217291227	/nfs/dbraw/zinc/29/12/27/217291227.db2.gz	CDQYSCHBSBALES-SNVBAGLBSA-N	-1	0	309.347	0.344	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]c1n[nH]cc1C#N	ZINC000488414643	269720382	/nfs/dbraw/zinc/72/03/82/269720382.db2.gz	HGFBWWYBTBQBRD-UHFFFAOYSA-N	-1	0	313.320	0.325	20	30		DCEDRM
COCCNC(=O)[C@H](C#N)Cn1[n-]c(C(F)(F)F)cc1=O	ZINC000181291841	533011882	/nfs/dbraw/zinc/01/18/82/533011882.db2.gz	JOAMZOQBMTTWEP-SSDOTTSWSA-N	-1	0	306.244	0.510	20	30		DCEDRM
COC[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC	ZINC000341563943	253395195	/nfs/dbraw/zinc/39/51/95/253395195.db2.gz	HMAKIYTYRSOSBL-GFCCVEGCSA-N	-1	0	312.347	0.166	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2c(C#N)cnn2C)oc1C	ZINC000275841562	130397499	/nfs/dbraw/zinc/39/74/99/130397499.db2.gz	UXHWJXOEZZSEHR-UHFFFAOYSA-N	-1	0	324.318	0.781	20	30		DCEDRM
C[C@H]1CCC[C@H](C(=O)[O-])N1S(=O)(=O)c1cncc(C#N)c1	ZINC000290729040	131512700	/nfs/dbraw/zinc/51/27/00/131512700.db2.gz	VVPHZUTXPHJFRL-JOYOIKCWSA-N	-1	0	309.347	0.970	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126094040	395909516	/nfs/dbraw/zinc/90/95/16/395909516.db2.gz	VCIOIWDYHMSAGR-SECBINFHSA-N	-1	0	318.738	0.590	20	30		DCEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)ccc1-n1cnnn1	ZINC000073758888	396150398	/nfs/dbraw/zinc/15/03/98/396150398.db2.gz	SQEVHDUNMCQWTM-UHFFFAOYSA-N	-1	0	319.288	0.689	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000263551397	396220808	/nfs/dbraw/zinc/22/08/08/396220808.db2.gz	LCMXTLWOVBATJK-QMMMGPOBSA-N	-1	0	300.311	0.932	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)C2CC2)c(F)c1	ZINC000269752780	396443423	/nfs/dbraw/zinc/44/34/23/396443423.db2.gz	CUENPCHPYFPMQG-NSHDSACASA-N	-1	0	302.302	0.886	20	30		DCEDRM
CSCCN(CC(=O)[O-])S(=O)(=O)c1ccccc1C#N	ZINC000594673395	396496237	/nfs/dbraw/zinc/49/62/37/396496237.db2.gz	PXXGFHWMZSNQIW-UHFFFAOYSA-N	-1	0	314.388	0.997	20	30		DCEDRM
CSCCN(CC(=O)[O-])S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000594682006	396496890	/nfs/dbraw/zinc/49/68/90/396496890.db2.gz	RPOQJJUTYNWLPO-SECBINFHSA-N	-1	0	309.413	0.215	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000594750192	396505833	/nfs/dbraw/zinc/50/58/33/396505833.db2.gz	YKOACRHLFRLGTJ-CQSZACIVSA-N	-1	0	323.374	0.758	20	30		DCEDRM
CC1(C(=O)[O-])CCN(S(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000290706275	396470649	/nfs/dbraw/zinc/47/06/49/396470649.db2.gz	SRUWXNZSYLFASI-UHFFFAOYSA-N	-1	0	309.347	0.829	20	30		DCEDRM
COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000290726229	396470859	/nfs/dbraw/zinc/47/08/59/396470859.db2.gz	VOJDUCNMRCWEMR-VIFPVBQESA-N	-1	0	313.335	0.063	20	30		DCEDRM
CCOC[C@@H](NS(=O)(=O)c1ccc(C#N)c(C)c1)C(=O)[O-]	ZINC000290961900	396476675	/nfs/dbraw/zinc/47/66/75/396476675.db2.gz	NOWMZSKIBOPZAX-GFCCVEGCSA-N	-1	0	312.347	0.635	20	30		DCEDRM
CC(C)[C@H](CNC(=O)C(=O)NCC1CCC(C#N)CC1)C(=O)[O-]	ZINC000594530077	396484422	/nfs/dbraw/zinc/48/44/22/396484422.db2.gz	QHMAPVTXCPRXFJ-BPCQOVAHSA-N	-1	0	323.393	0.906	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@H](CCF)C(=O)[O-])cc1	ZINC000594574030	396488079	/nfs/dbraw/zinc/48/80/79/396488079.db2.gz	XILUPMFZYWQGHY-LLVKDONJSA-N	-1	0	300.311	0.790	20	30		DCEDRM
C=CCn1cc(CNC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)nn1	ZINC000581938669	396594375	/nfs/dbraw/zinc/59/43/75/396594375.db2.gz	OGZPLRMXODZEBB-QWRGUYRKSA-N	-1	0	307.354	0.716	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000595546386	396628515	/nfs/dbraw/zinc/62/85/15/396628515.db2.gz	HCVXTPZCKONLJV-GFCCVEGCSA-N	-1	0	313.317	0.884	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O	ZINC000586660675	396662261	/nfs/dbraw/zinc/66/22/61/396662261.db2.gz	JOVGKCSWEXUHMC-UHFFFAOYSA-N	-1	0	305.319	0.490	20	30		DCEDRM
C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1	ZINC000595987349	396703707	/nfs/dbraw/zinc/70/37/07/396703707.db2.gz	MJIOFEMIAMUCIR-MRXNPFEDSA-N	-1	0	321.377	0.852	20	30		DCEDRM
C=CCN(C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000634869429	396927600	/nfs/dbraw/zinc/92/76/00/396927600.db2.gz	IXPQAERBZAQZJE-GARJFASQSA-N	-1	0	315.391	0.545	20	30		DCEDRM
C=CCN(C(=O)c1cncc(C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC000630111266	396942569	/nfs/dbraw/zinc/94/25/69/396942569.db2.gz	NJTXSJBZAMOMQF-LBPRGKRZSA-N	-1	0	324.358	0.595	20	30		DCEDRM
C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@H]1C(=O)[O-]	ZINC000572761960	397092306	/nfs/dbraw/zinc/09/23/06/397092306.db2.gz	OHEHRDPWIMOKJU-GXSJLCMTSA-N	-1	0	316.317	0.461	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)[N-]c2cnn(CCO)c2)c1	ZINC000619462126	397135172	/nfs/dbraw/zinc/13/51/72/397135172.db2.gz	FULDFHWFVXSYKR-UHFFFAOYSA-N	-1	0	306.347	0.742	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)NCc2cc(C(=O)[O-])co2)c1	ZINC000574246956	397248091	/nfs/dbraw/zinc/24/80/91/397248091.db2.gz	UXMHXVBAXQJUQC-UHFFFAOYSA-N	-1	0	307.287	0.723	20	30		DCEDRM
C=C[C@H]1CCCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602139176	397317823	/nfs/dbraw/zinc/31/78/23/397317823.db2.gz	DHWFMLZUTFTSCW-LBPRGKRZSA-N	-1	0	302.334	0.778	20	30		DCEDRM
C[C@H]1C[C@H](C)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602026933	397285986	/nfs/dbraw/zinc/28/59/86/397285986.db2.gz	PTCXZWUGBDQJGD-QWRGUYRKSA-N	-1	0	304.350	0.715	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c1	ZINC000592991322	397311244	/nfs/dbraw/zinc/31/12/44/397311244.db2.gz	KLJOZDHMXMJGEX-VXGBXAGGSA-N	-1	0	300.318	0.323	20	30		DCEDRM
C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]2CCCC[C@@H]12	ZINC000602131742	397314080	/nfs/dbraw/zinc/31/40/80/397314080.db2.gz	UZXZRLNJBNGEJH-WXHSDQCUSA-N	-1	0	316.361	0.858	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-]	ZINC000593270253	397346488	/nfs/dbraw/zinc/34/64/88/397346488.db2.gz	AKSLSLCPCTZKOQ-WRWGMCAJSA-N	-1	0	315.395	0.508	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC[C@@H](C3CC3)C2)c(=O)[n-]c1=O	ZINC000602153325	397325164	/nfs/dbraw/zinc/32/51/64/397325164.db2.gz	WOLYKXQKGISIFA-LLVKDONJSA-N	-1	0	302.334	0.469	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-]	ZINC000578586904	397455551	/nfs/dbraw/zinc/45/55/51/397455551.db2.gz	PLCHOLUWDMHGHB-MNOVXSKESA-N	-1	0	303.384	0.700	20	30		DCEDRM
N#CCc1ccc(CS(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC000579592826	397582912	/nfs/dbraw/zinc/58/29/12/397582912.db2.gz	ISOBOOCLWZZKKF-ZDUSSCGKSA-N	-1	0	308.359	0.989	20	30		DCEDRM
Cc1c(/C=C/C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cnn1C	ZINC000493689855	397528682	/nfs/dbraw/zinc/52/86/82/397528682.db2.gz	OIOJJTDNQVBWJC-ONEGZZNKSA-N	-1	0	308.363	0.492	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1Cl	ZINC000230065916	158622854	/nfs/dbraw/zinc/62/28/54/158622854.db2.gz	FUNDYGVHZGXKQF-JTQLQIEISA-N	-1	0	318.738	0.326	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@]23CCOC3)c1	ZINC000408476975	160117217	/nfs/dbraw/zinc/11/72/17/160117217.db2.gz	NCGULMSNICIIRO-TZMCWYRMSA-N	-1	0	306.343	0.790	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)n1	ZINC000123337728	286959913	/nfs/dbraw/zinc/95/99/13/286959913.db2.gz	SGLKNCDNYPEHRE-UHFFFAOYSA-N	-1	0	318.318	0.262	20	30		DCEDRM
CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000268224217	415178848	/nfs/dbraw/zinc/17/88/48/415178848.db2.gz	XBJCBDCXIPXHLX-SSDOTTSWSA-N	-1	0	317.317	0.639	20	30		DCEDRM
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc(C#N)c(O)c2)O1	ZINC000334090159	415802861	/nfs/dbraw/zinc/80/28/61/415802861.db2.gz	ACOPEKBIMQLWAD-GXTWGEPZSA-N	-1	0	317.345	0.629	20	30		DCEDRM
N#Cc1c(F)cccc1N1CCN(C(=O)c2nc(=O)[nH][n-]2)CC1	ZINC000129469200	415906330	/nfs/dbraw/zinc/90/63/30/415906330.db2.gz	ICPRPMVIMJKRAA-UHFFFAOYSA-N	-1	0	316.296	0.071	20	30		DCEDRM
CNC(=O)c1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)nc1	ZINC000357384395	416071237	/nfs/dbraw/zinc/07/12/37/416071237.db2.gz	HSMXVEBLXKBPTM-UHFFFAOYSA-N	-1	0	317.330	0.509	20	30		DCEDRM
CC(C)(C#N)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000344897108	416005557	/nfs/dbraw/zinc/00/55/57/416005557.db2.gz	NAEVTYFMSYYNBY-UHFFFAOYSA-N	-1	0	323.334	0.264	20	30		DCEDRM
O=C(CSc1n[nH]c(=O)[n-]1)N1CCC[C@@H]1C(=O)NC1CC1	ZINC000329578334	416178657	/nfs/dbraw/zinc/17/86/57/416178657.db2.gz	WGHDLMZKLLJQPQ-MRVPVSSYSA-N	-1	0	311.367	0.712	20	30		DCEDRM
CCCc1nc(=NC(=O)N[C@@H]2CCS(=O)(=O)C2)s[n-]1	ZINC000330487698	416211156	/nfs/dbraw/zinc/21/11/56/416211156.db2.gz	HXPFJIJUIIESJC-SSDOTTSWSA-N	-1	0	304.397	0.426	20	30		DCEDRM
Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1c[nH]c(C#N)c1	ZINC000181902274	416211770	/nfs/dbraw/zinc/21/17/70/416211770.db2.gz	PCHFCDWBMFIAEH-UHFFFAOYSA-N	-1	0	310.317	0.769	20	30		DCEDRM
N#Cc1ccc(CSCC(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000358358622	416228345	/nfs/dbraw/zinc/22/83/45/416228345.db2.gz	QCXMDBZPXYPSLK-UHFFFAOYSA-N	-1	0	303.347	0.932	20	30		DCEDRM
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCC#CCO)n1	ZINC000339394019	416157907	/nfs/dbraw/zinc/15/79/07/416157907.db2.gz	ZROGGTQVVGHMQD-UHFFFAOYSA-N	-1	0	303.293	0.751	20	30		DCEDRM
N#CCCCCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000330838948	416241701	/nfs/dbraw/zinc/24/17/01/416241701.db2.gz	MRMWCABNCYVBJN-SNVBAGLBSA-N	-1	0	313.383	0.713	20	30		DCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)C[C@H](C)OC	ZINC000193315321	416315517	/nfs/dbraw/zinc/31/55/17/416315517.db2.gz	SHGCANVZVAWTDR-NSHDSACASA-N	-1	0	310.375	0.826	20	30		DCEDRM
CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C1(C#N)CCCC1	ZINC000262237544	416336224	/nfs/dbraw/zinc/33/62/24/416336224.db2.gz	TWJXMHSRGRTNBS-LBPRGKRZSA-N	-1	0	321.377	0.852	20	30		DCEDRM
CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C#N)c[nH]2)c1	ZINC000359700090	416354071	/nfs/dbraw/zinc/35/40/71/416354071.db2.gz	NIKQQPKTVGYEKA-UHFFFAOYSA-N	-1	0	320.330	0.752	20	30		DCEDRM
O=S(=O)([N-]CC(F)(F)F)N1CC(F)(F)C(F)(F)C1	ZINC000416527988	416374249	/nfs/dbraw/zinc/37/42/49/416374249.db2.gz	BDFFESRADMUQNF-UHFFFAOYSA-N	-1	0	304.187	0.969	20	30		DCEDRM
CC(C)[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000422664415	416446449	/nfs/dbraw/zinc/44/64/49/416446449.db2.gz	RRWQAUABVNQVTQ-NSHDSACASA-N	-1	0	307.281	0.861	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])n1	ZINC000436657254	416565240	/nfs/dbraw/zinc/56/52/40/416565240.db2.gz	KZDULDTWPVDAQX-UHFFFAOYSA-N	-1	0	302.250	0.194	20	30		DCEDRM
C#CCN(CC#N)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000491637717	416607744	/nfs/dbraw/zinc/60/77/44/416607744.db2.gz	VDIQTEAWBFVSHD-UHFFFAOYSA-N	-1	0	312.354	0.821	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000491681512	416615239	/nfs/dbraw/zinc/61/52/39/416615239.db2.gz	NTYHTBDYFHIVEZ-LBPRGKRZSA-N	-1	0	316.313	0.113	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)ccc1O	ZINC000436780065	416569428	/nfs/dbraw/zinc/56/94/28/416569428.db2.gz	MZMZJMNTWRRDIJ-UHFFFAOYSA-N	-1	0	322.302	0.574	20	30		DCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccnn1C	ZINC000490606226	416569799	/nfs/dbraw/zinc/56/97/99/416569799.db2.gz	WODTUYJTRIXJBF-UHFFFAOYSA-N	-1	0	318.358	0.584	20	30		DCEDRM
C=CCCC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424456844	416648671	/nfs/dbraw/zinc/64/86/71/416648671.db2.gz	XMYIWWQHZIOCRD-WDEREUQCSA-N	-1	0	318.395	0.624	20	30		DCEDRM
COC(=O)c1ccccc1S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000443406871	416758060	/nfs/dbraw/zinc/75/80/60/416758060.db2.gz	GJHSRSOMMNEFCK-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
N#C[C@]1(F)CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1	ZINC000615643133	416877760	/nfs/dbraw/zinc/87/77/60/416877760.db2.gz	AEMACJSNBHGXJK-CYBMUJFWSA-N	-1	0	308.338	0.946	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(CC(=O)[O-])CC(C)C	ZINC000565055466	416918181	/nfs/dbraw/zinc/91/81/81/416918181.db2.gz	RAGBDDNGELCUDE-LLVKDONJSA-N	-1	0	305.400	0.755	20	30		DCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)CC1(C#N)CCCCC1	ZINC000519679087	416927413	/nfs/dbraw/zinc/92/74/13/416927413.db2.gz	MWVIURPXAIEHDD-LLVKDONJSA-N	-1	0	318.395	0.822	20	30		DCEDRM
CN(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)ncn1	ZINC000430052522	417014395	/nfs/dbraw/zinc/01/43/95/417014395.db2.gz	IRFGZLCDZLDJEC-UHFFFAOYSA-N	-1	0	304.335	0.610	20	30		DCEDRM
C=CCC[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-]	ZINC000448999057	417115775	/nfs/dbraw/zinc/11/57/75/417115775.db2.gz	XQJXAZJSOMXXCZ-GFCCVEGCSA-N	-1	0	316.317	0.327	20	30		DCEDRM
C=CCSCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000569337064	417241981	/nfs/dbraw/zinc/24/19/81/417241981.db2.gz	ZVVIEDOWTPFJDS-UHFFFAOYSA-N	-1	0	302.377	0.977	20	30		DCEDRM
COC(=O)C[C@@]1(NS(=O)(=O)CC(C)(C)CC#N)CCOC1	ZINC000451396719	417341720	/nfs/dbraw/zinc/34/17/20/417341720.db2.gz	BILCCRCIIYBUPE-ZDUSSCGKSA-N	-1	0	318.395	0.568	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-]	ZINC000572718434	417463387	/nfs/dbraw/zinc/46/33/87/417463387.db2.gz	BPSNGYOKGWYZPF-LLVKDONJSA-N	-1	0	306.384	0.209	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC(CC#N)CC2)C1	ZINC000576218986	417591098	/nfs/dbraw/zinc/59/10/98/417591098.db2.gz	JWMZPDAHCHDGRM-YPMHNXCESA-N	-1	0	321.377	0.708	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000647587664	418028775	/nfs/dbraw/zinc/02/87/75/418028775.db2.gz	RKVFAKSWBNSRTC-UHFFFAOYSA-N	-1	0	312.366	0.409	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000659060168	418051857	/nfs/dbraw/zinc/05/18/57/418051857.db2.gz	JRXMSJGRMOUIOH-VIFPVBQESA-N	-1	0	307.306	0.162	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659660034	418138413	/nfs/dbraw/zinc/13/84/13/418138413.db2.gz	MAMTVPCGHWQQJQ-QWRGUYRKSA-N	-1	0	310.350	0.065	20	30		DCEDRM
C=CCCOCC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000649254181	418215101	/nfs/dbraw/zinc/21/51/01/418215101.db2.gz	FFRFYFYSHZWAKX-NSHDSACASA-N	-1	0	308.338	0.733	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1scc2c1OCCO2)C(=O)[O-]	ZINC000656244024	418338035	/nfs/dbraw/zinc/33/80/35/418338035.db2.gz	MOGQLGAAKAKQGI-MRVPVSSYSA-N	-1	0	313.331	0.905	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CCC[C@@H](C)O1)C(=O)[O-]	ZINC000656598067	418366309	/nfs/dbraw/zinc/36/63/09/418366309.db2.gz	YEUAZIIGPSBZDZ-WOPDTQHZSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=CCOCCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000656725177	418373253	/nfs/dbraw/zinc/37/32/53/418373253.db2.gz	XIAULHBJQUHOPL-UHFFFAOYSA-N	-1	0	300.336	0.651	20	30		DCEDRM
C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(C#N)s2)C1	ZINC000230326976	261153870	/nfs/dbraw/zinc/15/38/70/261153870.db2.gz	NRMDAUXNAMVTKW-SSDOTTSWSA-N	-1	0	300.361	0.961	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)oc1C	ZINC000358523121	266663144	/nfs/dbraw/zinc/66/31/44/266663144.db2.gz	CTYMDSWQHMFBIV-UHFFFAOYSA-N	-1	0	310.291	0.770	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)n1	ZINC000356009991	268334378	/nfs/dbraw/zinc/33/43/78/268334378.db2.gz	YGBRRXPTOYYYGP-UHFFFAOYSA-N	-1	0	310.277	0.279	20	30		DCEDRM
CC(C)(C)OC(=O)NCCCC(=O)N[C@H]1CCCN(O)C1=O	ZINC000495625069	272259866	/nfs/dbraw/zinc/25/98/66/272259866.db2.gz	JKOYQKBVOYKPMQ-JTQLQIEISA-N	-1	0	315.370	0.788	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCSCC(=O)[O-])c(F)c1	ZINC000548567661	288155411	/nfs/dbraw/zinc/15/54/11/288155411.db2.gz	JSWWQOAHRGXLPM-UHFFFAOYSA-N	-1	0	318.351	0.793	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000556260113	288373682	/nfs/dbraw/zinc/37/36/82/288373682.db2.gz	CKGAOBNCLUFMLJ-JTQLQIEISA-N	-1	0	314.294	0.171	20	30		DCEDRM
N#Cc1cnccc1NCCN1c2ccccc2[N-]S1(=O)=O	ZINC000557661127	288428315	/nfs/dbraw/zinc/42/83/15/288428315.db2.gz	OFBSJSJNQMVKSG-UHFFFAOYSA-N	-1	0	315.358	0.964	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCCCCC[C@@H]1C(=O)[O-]	ZINC000558580326	331926303	/nfs/dbraw/zinc/92/63/03/331926303.db2.gz	DALUDNKHYLKVAE-LLVKDONJSA-N	-1	0	303.384	0.796	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O	ZINC000042280652	332241132	/nfs/dbraw/zinc/24/11/32/332241132.db2.gz	UPISJHCYZBSUCD-UHFFFAOYSA-N	-1	0	303.340	0.157	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H](C)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000570290754	332736340	/nfs/dbraw/zinc/73/63/40/332736340.db2.gz	SBJHTJBWMVWCSG-WOPDTQHZSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCCCO[C@@H]1CCOC1)C(=O)[O-]	ZINC000562974012	333000523	/nfs/dbraw/zinc/00/05/23/333000523.db2.gz	GHIVYAZYMKFWOY-VXGBXAGGSA-N	-1	0	300.355	0.901	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000225590610	333032652	/nfs/dbraw/zinc/03/26/52/333032652.db2.gz	SSUCOAARSBBGDM-WDEREUQCSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000516771045	333219679	/nfs/dbraw/zinc/21/96/79/333219679.db2.gz	ZMTGOQGJUDZYFW-XQHKEYJVSA-N	-1	0	324.377	0.263	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(CC)[C@H](C)CC(=O)[O-]	ZINC000571331451	333750805	/nfs/dbraw/zinc/75/08/05/333750805.db2.gz	LZKMDYXBYYXMSO-GHMZBOCLSA-N	-1	0	305.400	0.898	20	30		DCEDRM
CN(C1(C(=O)[O-])CCOCC1)S(=O)(=O)CC1(C#N)CC1	ZINC000571370629	333779864	/nfs/dbraw/zinc/77/98/64/333779864.db2.gz	KSTPKJHZHGQOEB-UHFFFAOYSA-N	-1	0	302.352	0.186	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@@]1(C)C(=O)[O-]	ZINC000583266746	337296407	/nfs/dbraw/zinc/29/64/07/337296407.db2.gz	VEADTOTVQTWXDR-PWSUYJOCSA-N	-1	0	303.384	0.794	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)N(C)CCC#N)CC[C@@H]1CCC(=O)[O-]	ZINC000584395233	337317292	/nfs/dbraw/zinc/31/72/92/337317292.db2.gz	QRSWUOGHLCZITC-RYUDHWBXSA-N	-1	0	317.411	0.899	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1	ZINC000424513437	337845342	/nfs/dbraw/zinc/84/53/42/337845342.db2.gz	XJIOYXQTGFHOKB-FIQHERPVSA-N	-1	0	307.350	0.364	20	30		DCEDRM
CC#CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000436797705	338287719	/nfs/dbraw/zinc/28/77/19/338287719.db2.gz	PBVXQQWVCJZYSR-UHFFFAOYSA-N	-1	0	310.375	0.786	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)OC)c1	ZINC000491140368	339850631	/nfs/dbraw/zinc/85/06/31/339850631.db2.gz	KNSOBFRGRJECMQ-GFCCVEGCSA-N	-1	0	319.317	0.950	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000491660144	339871734	/nfs/dbraw/zinc/87/17/34/339871734.db2.gz	NPAQBACEBUUBGO-STQMWFEESA-N	-1	0	304.346	0.041	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\c2cncc(F)c2)CC1	ZINC000492999427	339914498	/nfs/dbraw/zinc/91/44/98/339914498.db2.gz	RTNPIDJFMDXQDV-UPHRSURJSA-N	-1	0	309.322	0.984	20	30		DCEDRM
CC[C@H](CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)NCC#N	ZINC001567967481	1160552900	/nfs/dbraw/zinc/55/29/00/1160552900.db2.gz	HGECAXJANNTYOQ-GFCCVEGCSA-N	-1	0	307.398	0.383	20	30		DCEDRM
COCCN(CC(=O)[O-])C(=O)COc1ccc(C#N)cc1OC	ZINC000262435751	523659997	/nfs/dbraw/zinc/65/99/97/523659997.db2.gz	OZXSDOQHTSWIPO-UHFFFAOYSA-N	-1	0	322.317	0.505	20	30		DCEDRM
C=CCOc1ccccc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000370851633	526923303	/nfs/dbraw/zinc/92/33/03/526923303.db2.gz	KBPWQSXSBOTYCB-ZDUSSCGKSA-N	-1	0	315.333	0.978	20	30		DCEDRM
C#CCOc1cccc(-n2c([O-])c(C(=O)OCC)[nH]c2=O)c1	ZINC000278302429	527117229	/nfs/dbraw/zinc/11/72/29/527117229.db2.gz	WSNRIKAXHBLZFI-LBPRGKRZSA-N	-1	0	302.286	0.687	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)C2(C(=O)[O-])CC2)c1	ZINC000154808521	527448076	/nfs/dbraw/zinc/44/80/76/527448076.db2.gz	NWGRMNZISAKHOO-UHFFFAOYSA-N	-1	0	300.314	0.930	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CCN1C(=O)COc2ccccc21	ZINC000375405445	527583552	/nfs/dbraw/zinc/58/35/52/527583552.db2.gz	PNFJKUHLSIQESI-UHFFFAOYSA-N	-1	0	318.329	0.901	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N[C@]2(C#N)CCOC2)c1	ZINC000424776731	536924778	/nfs/dbraw/zinc/92/47/78/536924778.db2.gz	RHXHUMGCIAGSHB-LHSJRXKWSA-N	-1	0	308.359	0.602	20	30		DCEDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNS(=O)(=O)CCCC#N	ZINC000826126022	603507631	/nfs/dbraw/zinc/50/76/31/603507631.db2.gz	MGDIMAIFQCUSLR-ZJUUUORDSA-N	-1	0	319.383	0.713	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)Nc1nnc(C2CC2)o1	ZINC000819865443	597613020	/nfs/dbraw/zinc/61/30/20/597613020.db2.gz	LDWWMNXDPFXZBS-ZDUSSCGKSA-N	-1	0	322.277	0.433	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC000819864661	597624858	/nfs/dbraw/zinc/62/48/58/597624858.db2.gz	ALUGOAZMHWMYDX-ZIAGYGMSSA-N	-1	0	307.306	0.343	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCCN(c2cccnn2)CC1	ZINC000819810454	597643976	/nfs/dbraw/zinc/64/39/76/597643976.db2.gz	BHRKGSNFVPWNSY-OAHLLOKOSA-N	-1	0	317.349	0.520	20	30		DCEDRM
CC(C)N1C(=S)N=NC1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820066922	597645450	/nfs/dbraw/zinc/64/54/50/597645450.db2.gz	UEPBTYSYWAASGF-GFCCVEGCSA-N	-1	0	311.367	0.768	20	30		DCEDRM
Cc1cnn(C[C@H]2CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO2)c1	ZINC000821147053	597647685	/nfs/dbraw/zinc/64/76/85/597647685.db2.gz	UODPJVSWAQQAMU-DOMZBBRYSA-N	-1	0	320.349	0.424	20	30		DCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H]1N1CCOCC1	ZINC000820246390	597651538	/nfs/dbraw/zinc/65/15/38/597651538.db2.gz	WPZJAVZIDKUFAL-LALPHHSUSA-N	-1	0	309.366	0.170	20	30		DCEDRM
Cn1cc([C@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2)cn1	ZINC000821287047	597654497	/nfs/dbraw/zinc/65/44/97/597654497.db2.gz	DAYJRRBLRDAUIT-BXUZGUMPSA-N	-1	0	306.322	0.325	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@]1(O)CCc2ccccc21	ZINC000819835846	597658742	/nfs/dbraw/zinc/65/87/42/597658742.db2.gz	YGKTUYKSOJJIMD-HZPDHXFCSA-N	-1	0	302.330	0.941	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-n2cncn2)nc1	ZINC000819847843	598223405	/nfs/dbraw/zinc/22/34/05/598223405.db2.gz	PITUNMGOXNSGEI-CYBMUJFWSA-N	-1	0	300.278	0.605	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cccc(-n2cncn2)c1	ZINC000819842110	598228135	/nfs/dbraw/zinc/22/81/35/598228135.db2.gz	JCWAPILBBOQMPR-HNNXBMFYSA-N	-1	0	313.317	0.888	20	30		DCEDRM
CC(C)N1C(=O)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1(C)C	ZINC000820025129	598228930	/nfs/dbraw/zinc/22/89/30/598228930.db2.gz	VGZBPXCPPIQKEJ-HNNXBMFYSA-N	-1	0	309.366	0.849	20	30		DCEDRM
CCOC(=O)c1nnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])s1	ZINC000820373545	598230258	/nfs/dbraw/zinc/23/02/58/598230258.db2.gz	BUCIVCYYPSVHNW-NSHDSACASA-N	-1	0	312.307	0.658	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCOC2(CCOCC2)C1	ZINC000819834709	598230902	/nfs/dbraw/zinc/23/09/02/598230902.db2.gz	OSLPDAUDIDSRAF-FZMZJTMJSA-N	-1	0	310.350	0.835	20	30		DCEDRM
N#Cc1nc(NC(=O)CCC(F)(F)F)[n-]c1-c1nn[nH]n1	ZINC000822814545	599314170	/nfs/dbraw/zinc/31/41/70/599314170.db2.gz	IUAUDRFYFFBOOQ-UHFFFAOYSA-N	-1	0	300.204	0.742	20	30		DCEDRM
COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CCNC(=O)[O-])cc1	ZINC000737997732	599798859	/nfs/dbraw/zinc/79/88/59/599798859.db2.gz	VWZTWGDZQSORJM-LBPRGKRZSA-N	-1	0	319.317	0.678	20	30		DCEDRM
N#Cc1cccc(OC2CCN(CC(=O)NCC(=O)[O-])CC2)c1	ZINC000739133911	599814046	/nfs/dbraw/zinc/81/40/46/599814046.db2.gz	SCKCCNZTPQEMDJ-UHFFFAOYSA-N	-1	0	317.345	0.602	20	30		DCEDRM
CCCc1c(C(=O)OCC(=O)NCC#N)[nH]c(C)c1C(=O)[O-]	ZINC000737043097	599951950	/nfs/dbraw/zinc/95/19/50/599951950.db2.gz	GVQMXZZCCHQPAM-UHFFFAOYSA-N	-1	0	307.306	0.770	20	30		DCEDRM
N#Cc1cccc(NC(=O)CCN2CCO[C@H](C(=O)[O-])C2)c1	ZINC000738433428	599979430	/nfs/dbraw/zinc/97/94/30/599979430.db2.gz	CBBYUXKRBYLGRX-ZDUSSCGKSA-N	-1	0	303.318	0.672	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)c1cccc(NC(=O)[O-])c1	ZINC000736105702	600000145	/nfs/dbraw/zinc/00/01/45/600000145.db2.gz	FSRVMOASHDUNPU-UHFFFAOYSA-N	-1	0	321.289	0.945	20	30		DCEDRM
C#Cc1ccc(C(=O)OCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)nc1	ZINC000736092627	600117885	/nfs/dbraw/zinc/11/78/85/600117885.db2.gz	IIPQIWDQWKCUMF-YGRLFVJLSA-N	-1	0	318.329	0.835	20	30		DCEDRM
C#Cc1ccc(C(=O)OCC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)cn1	ZINC000736093771	600119326	/nfs/dbraw/zinc/11/93/26/600119326.db2.gz	ZTPNBIBBFANQHM-QMTHXVAHSA-N	-1	0	318.329	0.835	20	30		DCEDRM
C[C@H](OC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)NC1(C#N)CCCCC1	ZINC000736686169	600173788	/nfs/dbraw/zinc/17/37/88/600173788.db2.gz	RBAXDFWASNSRQS-DCAQKATOSA-N	-1	0	308.334	0.981	20	30		DCEDRM
C=CCn1nnnc1SCc1noc(CCCC(=O)[O-])n1	ZINC000736116697	600186962	/nfs/dbraw/zinc/18/69/62/600186962.db2.gz	DGLRFCICKSOQFI-UHFFFAOYSA-N	-1	0	310.339	0.942	20	30		DCEDRM
CN(C(=O)COC(=O)CCNC(=O)[O-])C1(C#N)CCCCC1	ZINC000737321416	600200322	/nfs/dbraw/zinc/20/03/22/600200322.db2.gz	DSXXERRJUFVANQ-UHFFFAOYSA-N	-1	0	311.338	0.872	20	30		DCEDRM
COC(=O)C[C@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC000737596495	600243487	/nfs/dbraw/zinc/24/34/87/600243487.db2.gz	GHYQVEVZNMFJIM-NSHDSACASA-N	-1	0	305.290	0.103	20	30		DCEDRM
Cn1ccnc1CN1CCC(C(=O)N(CC#N)CC(=O)[O-])CC1	ZINC000739055259	600401815	/nfs/dbraw/zinc/40/18/15/600401815.db2.gz	JBQSTFKSSCOIIV-UHFFFAOYSA-N	-1	0	319.365	0.069	20	30		DCEDRM
COc1ccc(C=O)c(OCC(=O)N(CC#N)CC(=O)[O-])c1	ZINC000737982206	600407781	/nfs/dbraw/zinc/40/77/81/600407781.db2.gz	JLJIUYXHTRAKMB-UHFFFAOYSA-N	-1	0	306.274	0.323	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCCNC(=O)c1ccc(F)cc1	ZINC000739078242	600409253	/nfs/dbraw/zinc/40/92/53/600409253.db2.gz	ZIUPLOMNGJBYOZ-UHFFFAOYSA-N	-1	0	321.308	0.772	20	30		DCEDRM
N#CCN1CCC(NC(=O)NCc2ccc(C(=O)[O-])o2)CC1	ZINC000739085555	600532949	/nfs/dbraw/zinc/53/29/49/600532949.db2.gz	IHYSHCJTEIGUQG-UHFFFAOYSA-N	-1	0	306.322	0.765	20	30		DCEDRM
Cn1nc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1=O	ZINC000739050084	600612173	/nfs/dbraw/zinc/61/21/73/600612173.db2.gz	LFKLIWLLOKJOTP-CYBMUJFWSA-N	-1	0	313.269	0.635	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)[C@H]2CCC(=O)NC2)C(=O)[O-])cc1	ZINC000739109704	600613081	/nfs/dbraw/zinc/61/30/81/600613081.db2.gz	MODZVQBHUWTYCX-AAEUAGOBSA-N	-1	0	302.286	0.753	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CCO1	ZINC000833061703	600741502	/nfs/dbraw/zinc/74/15/02/600741502.db2.gz	FWSQLOGLBQLVQT-LLVKDONJSA-N	-1	0	310.331	0.439	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000071228181	600779337	/nfs/dbraw/zinc/77/93/37/600779337.db2.gz	DCVWHABCDVKEBH-UHFFFAOYSA-N	-1	0	315.351	0.274	20	30		DCEDRM
N#C[C@H]1CN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CCO1	ZINC000833063544	600798054	/nfs/dbraw/zinc/79/80/54/600798054.db2.gz	YSGPWBZSKDXTJB-ONGXEEELSA-N	-1	0	321.358	0.776	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cn(Cc2cccs2)nn1	ZINC000833066331	600891357	/nfs/dbraw/zinc/89/13/57/600891357.db2.gz	VHEGTHDTBUOTLJ-UHFFFAOYSA-N	-1	0	305.319	0.438	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2	ZINC000739077087	601019873	/nfs/dbraw/zinc/01/98/73/601019873.db2.gz	HJSRDTNVBRERBY-NEPJUHHUSA-N	-1	0	316.313	0.998	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCOC[C@H]1C#N	ZINC000832917222	601041881	/nfs/dbraw/zinc/04/18/81/601041881.db2.gz	RQWFFGYPQZYEHG-GFCCVEGCSA-N	-1	0	303.318	0.856	20	30		DCEDRM
N#C[C@@H]1COCCN1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1	ZINC000833063548	601042096	/nfs/dbraw/zinc/04/20/96/601042096.db2.gz	YUEWYWJGJNSHHV-SNVBAGLBSA-N	-1	0	314.301	0.758	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000825702445	601284623	/nfs/dbraw/zinc/28/46/23/601284623.db2.gz	NUNCBMUKSAYWJR-UHFFFAOYSA-N	-1	0	316.317	0.858	20	30		DCEDRM
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NCC(=O)[O-]	ZINC000821320003	601429476	/nfs/dbraw/zinc/42/94/76/601429476.db2.gz	FQVWMBOMCBNFJP-KBPBESRZSA-N	-1	0	301.346	0.959	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)c2cc(C(N)=O)c[nH]2)C(=O)[O-])cc1	ZINC000833071574	601470054	/nfs/dbraw/zinc/47/00/54/601470054.db2.gz	HEIOQMJYBRMDJZ-GFCCVEGCSA-N	-1	0	313.269	0.968	20	30		DCEDRM
O=C([O-])[C@H]1CCCCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000740308027	601744036	/nfs/dbraw/zinc/74/40/36/601744036.db2.gz	SDSVQOHMTXHDFE-WBNXYMAISA-N	-1	0	321.333	0.369	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)NCCNc2ccc(C#N)cn2)C1	ZINC000828002931	602060661	/nfs/dbraw/zinc/06/06/61/602060661.db2.gz	PAJNLCTWRMIYEG-HNNXBMFYSA-N	-1	0	317.349	0.871	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)[C@H]2CCNC(=O)C2)C(=O)[O-])cc1	ZINC000833072649	602260795	/nfs/dbraw/zinc/26/07/95/602260795.db2.gz	OQSWPZDQLTXNOO-AAEUAGOBSA-N	-1	0	302.286	0.753	20	30		DCEDRM
CCOC(=O)c1cnn(CCC#N)c1NC(=O)CCNC(=O)[O-]	ZINC000829889823	602295144	/nfs/dbraw/zinc/29/51/44/602295144.db2.gz	GKTHDUQPGUMWOE-UHFFFAOYSA-N	-1	0	323.309	0.570	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(NC(=O)[O-])CC1	ZINC000831117634	603181571	/nfs/dbraw/zinc/18/15/71/603181571.db2.gz	AXDZSFIDVPDTAT-UHFFFAOYSA-N	-1	0	324.362	0.442	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000831156608	603518706	/nfs/dbraw/zinc/51/87/06/603518706.db2.gz	DVCJFWITNFJSSX-PWSUYJOCSA-N	-1	0	317.349	0.918	20	30		DCEDRM
Cc1nn(C)c(C)c1CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830846717	603588960	/nfs/dbraw/zinc/58/89/60/603588960.db2.gz	QZCCGKHTSUTPKX-NSHDSACASA-N	-1	0	305.338	0.294	20	30		DCEDRM
C[C@H](Sc1nncn1C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825623747	603589716	/nfs/dbraw/zinc/58/97/16/603589716.db2.gz	OTRYAVYTHVQUSS-IUCAKERBSA-N	-1	0	324.366	0.010	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000831082847	603594927	/nfs/dbraw/zinc/59/49/27/603594927.db2.gz	SDOHVDPOPQZYQC-LLVKDONJSA-N	-1	0	318.289	0.852	20	30		DCEDRM
CN1CCN(C(=O)Nc2ccc(C#N)cc2)[C@@H](CNC(=O)[O-])C1	ZINC000828507354	603597120	/nfs/dbraw/zinc/59/71/20/603597120.db2.gz	PPCHXAOZUSPOKP-ZDUSSCGKSA-N	-1	0	317.349	0.974	20	30		DCEDRM
CC(C)(CNC(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC000823960591	603642408	/nfs/dbraw/zinc/64/24/08/603642408.db2.gz	NOAHICLRNGKAAO-UHFFFAOYSA-N	-1	0	305.338	0.775	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CC1	ZINC000831102555	603687896	/nfs/dbraw/zinc/68/78/96/603687896.db2.gz	NIEWJVDIHZVATK-QWHCGFSZSA-N	-1	0	308.382	0.774	20	30		DCEDRM
C[C@@H](NC(=O)[O-])C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000825177812	603745673	/nfs/dbraw/zinc/74/56/73/603745673.db2.gz	OMVFUNXHZCNEOC-NXEZZACHSA-N	-1	0	318.337	0.041	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000831141223	603843198	/nfs/dbraw/zinc/84/31/98/603843198.db2.gz	FOEPCBDBZZOJMD-DGCLKSJQSA-N	-1	0	319.317	0.166	20	30		DCEDRM
N#Cc1ccccc1OCCOC(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000831156541	603909568	/nfs/dbraw/zinc/90/95/68/603909568.db2.gz	BLROEUMOXRYHQI-GFCCVEGCSA-N	-1	0	320.301	0.859	20	30		DCEDRM
CC1CCN(S(=O)(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)CC1	ZINC000825954983	603915252	/nfs/dbraw/zinc/91/52/52/603915252.db2.gz	DHXVOSRAGRLUDR-NSHDSACASA-N	-1	0	316.383	0.151	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)C1CCCCC1	ZINC000831092137	603916806	/nfs/dbraw/zinc/91/68/06/603916806.db2.gz	QEFBMXDLYPEJHG-JTQLQIEISA-N	-1	0	301.368	0.837	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COc1cccc(C=O)c1	ZINC000831082269	604069986	/nfs/dbraw/zinc/06/99/86/604069986.db2.gz	JWSRPLVNDAGHNX-GFCCVEGCSA-N	-1	0	317.301	0.592	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000831153081	604070138	/nfs/dbraw/zinc/07/01/38/604070138.db2.gz	WWKZPBXOYXKTNS-GFCCVEGCSA-N	-1	0	314.301	0.651	20	30		DCEDRM
N#CCSCC(=O)N1CCC(OCCCNC(=O)[O-])CC1	ZINC000831109663	604070265	/nfs/dbraw/zinc/07/02/65/604070265.db2.gz	QCJZBKXHXULDFP-UHFFFAOYSA-N	-1	0	315.395	0.908	20	30		DCEDRM
Cc1nnc2ccc(C(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)cn12	ZINC000830892873	604076295	/nfs/dbraw/zinc/07/62/95/604076295.db2.gz	GXXZJAHAWODSLK-LLVKDONJSA-N	-1	0	314.305	0.366	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1COc2ccccc21	ZINC000831076746	604083199	/nfs/dbraw/zinc/08/31/99/604083199.db2.gz	RWNAOZHHKIZOBY-PWSUYJOCSA-N	-1	0	301.302	0.877	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)CC1CN(C(=O)[O-])C1)C1CC1	ZINC000823647477	604091260	/nfs/dbraw/zinc/09/12/60/604091260.db2.gz	LKJUWUACBPLNCI-AWEZNQCLSA-N	-1	0	309.322	0.338	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@@]1(C)CCN(C(=O)[O-])C1	ZINC000827112134	604103424	/nfs/dbraw/zinc/10/34/24/604103424.db2.gz	WUUGXHYJHKZXGX-AWEZNQCLSA-N	-1	0	311.338	0.682	20	30		DCEDRM
CCOc1ncccc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827465884	604129761	/nfs/dbraw/zinc/12/97/61/604129761.db2.gz	UEWCVGCATGHNBV-SNVBAGLBSA-N	-1	0	304.306	0.808	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CCN1C(=O)[O-]	ZINC000825961644	604150698	/nfs/dbraw/zinc/15/06/98/604150698.db2.gz	IZYMRPAFWJNXKW-SNVBAGLBSA-N	-1	0	316.317	0.707	20	30		DCEDRM
C[C@@H]1CN(C(=O)Nc2nn(C)cc2C#N)CC[C@H]1NC(=O)[O-]	ZINC000826022089	604154130	/nfs/dbraw/zinc/15/41/30/604154130.db2.gz	YYVQDHUOAPGNMV-PSASIEDQSA-N	-1	0	306.326	0.802	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)NC2(CNC(=O)[O-])CCCC2)n1	ZINC000830985731	604348273	/nfs/dbraw/zinc/34/82/73/604348273.db2.gz	VIKSAGNMKIUWOJ-UHFFFAOYSA-N	-1	0	306.326	0.994	20	30		DCEDRM
CN1CCN(C(=O)c2ccc(C#N)s2)[C@@H](CNC(=O)[O-])C1	ZINC000828513037	604396111	/nfs/dbraw/zinc/39/61/11/604396111.db2.gz	FQHTTWLUJMJHQU-VIFPVBQESA-N	-1	0	308.363	0.644	20	30		DCEDRM
N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCNC(=O)[O-]	ZINC000831102862	604645466	/nfs/dbraw/zinc/64/54/66/604645466.db2.gz	WYNOQEVKUQTEOS-UHFFFAOYSA-N	-1	0	324.268	0.050	20	30		DCEDRM
C=CCOCCCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823516701	604715235	/nfs/dbraw/zinc/71/52/35/604715235.db2.gz	SIQIGHDIRJEHSH-NWDGAFQWSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C=CCOCCCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823516700	604715476	/nfs/dbraw/zinc/71/54/76/604715476.db2.gz	SIQIGHDIRJEHSH-NEPJUHHUSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc(C#N)nc2)CCO1	ZINC000825335931	604727959	/nfs/dbraw/zinc/72/79/59/604727959.db2.gz	PVVHQZZALFMCJP-CABZTGNLSA-N	-1	0	304.306	0.450	20	30		DCEDRM
C=CCNc1ncc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)s1	ZINC000825691819	604741391	/nfs/dbraw/zinc/74/13/91/604741391.db2.gz	ACLFDAOTSDCPKB-SSDOTTSWSA-N	-1	0	313.335	0.487	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c(F)c1	ZINC000833073367	604829058	/nfs/dbraw/zinc/82/90/58/604829058.db2.gz	MPMLRBBOZZXTEI-AWEZNQCLSA-N	-1	0	323.255	0.661	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831132089	604876826	/nfs/dbraw/zinc/87/68/26/604876826.db2.gz	MPSYMFKDJVQLFH-LBPRGKRZSA-N	-1	0	307.281	0.692	20	30		DCEDRM
C[C@H](NC(=O)[O-])C(=O)OCC(=O)N(C)C1(C#N)CCCCC1	ZINC000833740999	604964499	/nfs/dbraw/zinc/96/44/99/604964499.db2.gz	VHWRGZBLDHIUMQ-JTQLQIEISA-N	-1	0	311.338	0.871	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833465160	604977325	/nfs/dbraw/zinc/97/73/25/604977325.db2.gz	HPJKHXGSEYOXNE-HIFRSBDPSA-N	-1	0	311.382	0.198	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)CC(C)(C)CC(=O)[O-]	ZINC000833376635	605031458	/nfs/dbraw/zinc/03/14/58/605031458.db2.gz	LNWUVAYFXIYNJV-UHFFFAOYSA-N	-1	0	300.311	0.432	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833377802	605301797	/nfs/dbraw/zinc/30/17/97/605301797.db2.gz	BLAFLFCNWMBZFN-UHFFFAOYSA-N	-1	0	315.322	0.855	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)CNC(=O)CNC(=O)[O-]	ZINC000833862436	605340711	/nfs/dbraw/zinc/34/07/11/605340711.db2.gz	JJZJCSUEYIOCRK-UHFFFAOYSA-N	-1	0	320.305	0.279	20	30		DCEDRM
CN(CC(=O)N1CCN(C(=O)[O-])CC1)c1cccc(F)c1C#N	ZINC000828095663	605354350	/nfs/dbraw/zinc/35/43/50/605354350.db2.gz	MQSUJZLUNCFJCK-UHFFFAOYSA-N	-1	0	320.324	0.956	20	30		DCEDRM
CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)cc1F)NC(=O)[O-]	ZINC000823894961	605360139	/nfs/dbraw/zinc/36/01/39/605360139.db2.gz	GHPUMXUGSXZUKU-UHFFFAOYSA-N	-1	0	322.296	0.798	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)[C@H]1CN(C(=O)[O-])CCO1)CC2	ZINC000833976652	605364973	/nfs/dbraw/zinc/36/49/73/605364973.db2.gz	JWPYMRIKTRZPGL-CYBMUJFWSA-N	-1	0	301.302	0.826	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])CC2	ZINC000833977166	605365054	/nfs/dbraw/zinc/36/50/54/605365054.db2.gz	OTPQQSNTTHQZHA-YPMHNXCESA-N	-1	0	301.302	0.561	20	30		DCEDRM
CN(C(=O)[O-])c1ccc(OC(=O)Cn2cnc(C#N)n2)cc1	ZINC000827914481	605376874	/nfs/dbraw/zinc/37/68/74/605376874.db2.gz	WCIQHDHEGHOQBF-UHFFFAOYSA-N	-1	0	301.262	0.870	20	30		DCEDRM
N#CCOc1cccc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])c1	ZINC000833966261	605414171	/nfs/dbraw/zinc/41/41/71/605414171.db2.gz	CZKVTIVJVSAOIY-SNVBAGLBSA-N	-1	0	306.278	0.039	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CCN(S(=O)(=O)N(C)CCC#N)C1	ZINC000833816230	605516027	/nfs/dbraw/zinc/51/60/27/605516027.db2.gz	INLZNLJVDMKLSK-VHSXEESVSA-N	-1	0	304.372	0.055	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000831097658	605662345	/nfs/dbraw/zinc/66/23/45/605662345.db2.gz	PMEKULQFQLARQA-GFCCVEGCSA-N	-1	0	308.338	0.801	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@@H](O)COCc1ccccc1	ZINC000833966809	605672214	/nfs/dbraw/zinc/67/22/14/605672214.db2.gz	NYTWXHTUMCHEPP-RBSFLKMASA-N	-1	0	319.361	0.656	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833375408	605693621	/nfs/dbraw/zinc/69/36/21/605693621.db2.gz	WCQYDMJWMYDBSU-OLZOCXBDSA-N	-1	0	324.377	0.525	20	30		DCEDRM
Cc1onc(CC(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)c1C#N	ZINC000833936213	605697955	/nfs/dbraw/zinc/69/79/55/605697955.db2.gz	LZQGRYZXBCOSGQ-PRHODGIISA-N	-1	0	322.321	0.281	20	30		DCEDRM
Cc1onc(CC(=O)N2CCN(C(=O)[O-])[C@@H](C)[C@@H]2C)c1C#N	ZINC000833936879	605700018	/nfs/dbraw/zinc/70/00/18/605700018.db2.gz	RIILYFYGJHJBOF-IUCAKERBSA-N	-1	0	306.322	0.996	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)NCC2CN(C(=O)[O-])C2)cc1	ZINC000833974051	605759144	/nfs/dbraw/zinc/75/91/44/605759144.db2.gz	SJSDSUDRWCEHOL-UHFFFAOYSA-N	-1	0	316.317	0.014	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000833972393	605838270	/nfs/dbraw/zinc/83/82/70/605838270.db2.gz	CQLPJLMUZSGXAD-OLZOCXBDSA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)c1ccccc1C=O	ZINC000833967390	605847009	/nfs/dbraw/zinc/84/70/09/605847009.db2.gz	QWUUHYPZPCEUCM-LLVKDONJSA-N	-1	0	323.330	0.376	20	30		DCEDRM
Cn1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)nn1	ZINC000826360427	607888135	/nfs/dbraw/zinc/88/81/35/607888135.db2.gz	JWJXVXDFFISPFK-UHFFFAOYSA-N	-1	0	316.329	0.727	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)C[C@@H]2CCCCO2)C1	ZINC000906006821	663595297	/nfs/dbraw/zinc/59/52/97/663595297.db2.gz	IZERWFYXPBEFTB-NSHDSACASA-N	-1	0	303.380	0.848	20	30		DCEDRM
C=C(C)C[N@@H+]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC000982111747	661291294	/nfs/dbraw/zinc/29/12/94/661291294.db2.gz	YYXIHPUAOIRBSK-UHFFFAOYSA-N	-1	0	315.377	0.747	20	30		DCEDRM
COc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)c1	ZINC000049515844	657476069	/nfs/dbraw/zinc/47/60/69/657476069.db2.gz	JQWSWXUXWLCBLV-LLVKDONJSA-N	-1	0	301.320	0.756	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cc2ccccc2[nH]c1=O	ZINC000181276245	665517218	/nfs/dbraw/zinc/51/72/18/665517218.db2.gz	XCZQJNTUJWEVEA-UHFFFAOYSA-N	-1	0	319.342	0.891	20	30		DCEDRM
CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)N1CCCCC1)C(C)C	ZINC000048869722	658063927	/nfs/dbraw/zinc/06/39/27/658063927.db2.gz	MXSXZMZOYCJCOJ-LLVKDONJSA-N	-1	0	305.400	0.834	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCCS2(=O)=O)CC1	ZINC000810987648	658134415	/nfs/dbraw/zinc/13/44/15/658134415.db2.gz	TXHXKOARVCOJAK-SNVBAGLBSA-N	-1	0	321.420	0.508	20	30		DCEDRM
C[C@@H]1CO[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000892411963	658352611	/nfs/dbraw/zinc/35/26/11/658352611.db2.gz	SFLROWMNAJJFHH-GXFFZTMASA-N	-1	0	308.359	0.929	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncn(-c2ccccc2)n1	ZINC000179699840	658671383	/nfs/dbraw/zinc/67/13/83/658671383.db2.gz	BAYDCACAICIAOF-LBPRGKRZSA-N	-1	0	313.317	0.352	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@]3(C)CN(CC#N)C[C@@]3(C)C2)c1[O-]	ZINC000982261161	661320863	/nfs/dbraw/zinc/32/08/63/661320863.db2.gz	PRYXEFRUISPJJA-GASCZTMLSA-N	-1	0	303.366	0.731	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC000759499842	668221941	/nfs/dbraw/zinc/22/19/41/668221941.db2.gz	ZATQIUYFDVZCNA-UHFFFAOYSA-N	-1	0	300.361	0.455	20	30		DCEDRM
C#C[C@@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1	ZINC000882234356	662110634	/nfs/dbraw/zinc/11/06/34/662110634.db2.gz	ZFJFACHPSAFMSS-XTZNXHDOSA-N	-1	0	308.425	0.245	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1	ZINC000314709232	662147192	/nfs/dbraw/zinc/14/71/92/662147192.db2.gz	NNYMWQVDTNZCRR-UHFFFAOYSA-N	-1	0	324.358	0.030	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCCN(C(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC000940768259	665844236	/nfs/dbraw/zinc/84/42/36/665844236.db2.gz	SNYQKBDBZOVXAR-SECBINFHSA-N	-1	0	305.338	0.258	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)NCc1nc2c(c(=O)[nH]1)COCC2	ZINC000896264584	662256815	/nfs/dbraw/zinc/25/68/15/662256815.db2.gz	GZEVCGKMFBNFTM-NSHDSACASA-N	-1	0	316.361	0.952	20	30		DCEDRM
C=CCN(C(=O)c1cccn(CC(=O)[O-])c1=O)[C@H](C)COC	ZINC000902047420	663380312	/nfs/dbraw/zinc/38/03/12/663380312.db2.gz	FCDTWRKACYKVPM-LLVKDONJSA-N	-1	0	308.334	0.596	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC000903031771	663444747	/nfs/dbraw/zinc/44/47/47/663444747.db2.gz	FBVWLASZQCRNQN-AKJDGMEZSA-N	-1	0	303.380	0.894	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)N(C)C2CCOCC2)C1	ZINC000906007271	663595330	/nfs/dbraw/zinc/59/53/30/663595330.db2.gz	ZIPWRNCKMVTMKN-UHFFFAOYSA-N	-1	0	318.395	0.305	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F	ZINC000906933080	663652276	/nfs/dbraw/zinc/65/22/76/663652276.db2.gz	NVIKHTZMOZBHQL-UHFFFAOYSA-N	-1	0	315.322	0.760	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CCCO1	ZINC000906935372	663652643	/nfs/dbraw/zinc/65/26/43/663652643.db2.gz	RBGFSIQAUJJMCE-QWHCGFSZSA-N	-1	0	309.343	0.844	20	30		DCEDRM
C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cnc([O-])n(C)c1=O	ZINC000908652343	663764942	/nfs/dbraw/zinc/76/49/42/663764942.db2.gz	NCPNXFYNZWPEPW-NSHDSACASA-N	-1	0	305.334	0.626	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@H](c2nccn2C)C1	ZINC000909229329	663788194	/nfs/dbraw/zinc/78/81/94/663788194.db2.gz	OGYCMTJBBFMMQU-NEPJUHHUSA-N	-1	0	322.365	0.922	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCC(=O)c2cccn21)C(=O)[O-]	ZINC000909769623	663800460	/nfs/dbraw/zinc/80/04/60/663800460.db2.gz	AVFPVAVNIXRFJO-CMPLNLGQSA-N	-1	0	306.318	0.778	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)[O-]	ZINC000910052482	663837340	/nfs/dbraw/zinc/83/73/40/663837340.db2.gz	ZCBRIFPLADTTHU-STQMWFEESA-N	-1	0	321.377	0.507	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-]	ZINC000910053104	663837474	/nfs/dbraw/zinc/83/74/74/663837474.db2.gz	BDPGEDICOUKLNI-NSHDSACASA-N	-1	0	304.277	0.917	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC000910050916	663840854	/nfs/dbraw/zinc/84/08/54/663840854.db2.gz	AAUDIMPTCHVODB-CRWXNKLISA-N	-1	0	310.394	0.713	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(N2CCC(O)CC2)cc1)C(=O)[O-]	ZINC000910049943	663840872	/nfs/dbraw/zinc/84/08/72/663840872.db2.gz	APOBOHLQVCAVGP-OAHLLOKOSA-N	-1	0	316.357	0.854	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])OCC	ZINC000910760010	663934445	/nfs/dbraw/zinc/93/44/45/663934445.db2.gz	NXZIQDXGLHRGHL-NWDGAFQWSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=C[C@H](O)C(=O)N1CCCN(c2ccc(C(=O)[O-])cn2)CC1	ZINC000911308828	664025395	/nfs/dbraw/zinc/02/53/95/664025395.db2.gz	SYHDZKOGJAGSPG-LBPRGKRZSA-N	-1	0	305.334	0.365	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)N1CCc2ccccc21	ZINC000166091241	664435956	/nfs/dbraw/zinc/43/59/56/664435956.db2.gz	HDQQEAQNNJQPND-UHFFFAOYSA-N	-1	0	308.359	0.450	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)[N-]OCc2cccnc2)cc1	ZINC000152503060	664761854	/nfs/dbraw/zinc/76/18/54/664761854.db2.gz	JHRJZNPDFFSSAB-UHFFFAOYSA-N	-1	0	310.313	0.931	20	30		DCEDRM
Cn1nc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1Cl	ZINC000835317737	664846061	/nfs/dbraw/zinc/84/60/61/664846061.db2.gz	QIAUIMZITYPWIC-UHFFFAOYSA-N	-1	0	316.770	0.827	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)CNC(=O)C2CC2)n1	ZINC000915014611	664850414	/nfs/dbraw/zinc/85/04/14/664850414.db2.gz	QVCXDNJMYRSSOL-JTQLQIEISA-N	-1	0	321.358	0.697	20	30		DCEDRM
N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1	ZINC000731869071	664889043	/nfs/dbraw/zinc/88/90/43/664889043.db2.gz	KKGIBTGNPJJYCG-UHFFFAOYSA-N	-1	0	315.308	0.222	20	30		DCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000732511138	664940736	/nfs/dbraw/zinc/94/07/36/664940736.db2.gz	PCACXUGJZRVXHJ-UHFFFAOYSA-N	-1	0	312.347	0.685	20	30		DCEDRM
C[C@H]1[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CCCN1CC#N	ZINC000993950245	665021692	/nfs/dbraw/zinc/02/16/92/665021692.db2.gz	LWUCOBQYUNKBNO-CMPLNLGQSA-N	-1	0	314.349	0.129	20	30		DCEDRM
Cc1cc(OCC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)no1	ZINC000916809549	665093850	/nfs/dbraw/zinc/09/38/50/665093850.db2.gz	DMINBVPRTNROOQ-UHFFFAOYSA-N	-1	0	321.314	0.739	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(N)c([N+](=O)[O-])c1	ZINC000916870228	665097918	/nfs/dbraw/zinc/09/79/18/665097918.db2.gz	GTNDGEWJYCDDBT-JTQLQIEISA-N	-1	0	320.305	0.652	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccc(NC(N)=O)c1	ZINC000916874664	665098306	/nfs/dbraw/zinc/09/83/06/665098306.db2.gz	DPRIYMXACQAACZ-LBPRGKRZSA-N	-1	0	318.333	0.652	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000917003050	665108395	/nfs/dbraw/zinc/10/83/95/665108395.db2.gz	YAVXZCXOMYUHLE-NSHDSACASA-N	-1	0	309.347	0.005	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)nn1C	ZINC000917515766	665135477	/nfs/dbraw/zinc/13/54/77/665135477.db2.gz	JYWKXIUPCMHVTH-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCCN(CC#N)CC1	ZINC000998049716	665391894	/nfs/dbraw/zinc/39/18/94/665391894.db2.gz	IORLTWIISAKXRC-SNVBAGLBSA-N	-1	0	320.353	0.123	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)COC[C@@H]2CCCO2)c1	ZINC000733679549	666797704	/nfs/dbraw/zinc/79/77/04/666797704.db2.gz	ACVOUXGMFGIOPN-LBPRGKRZSA-N	-1	0	324.358	0.559	20	30		DCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000733718788	666807682	/nfs/dbraw/zinc/80/76/82/666807682.db2.gz	XUIDAZVLRMYJIW-JTQLQIEISA-N	-1	0	312.347	0.418	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000733721551	666808254	/nfs/dbraw/zinc/80/82/54/666808254.db2.gz	AYJTWZMELVEHJY-MFKMUULPSA-N	-1	0	324.358	0.560	20	30		DCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)ccn1	ZINC000861161351	666906025	/nfs/dbraw/zinc/90/60/25/666906025.db2.gz	UMBWANMSDACNEC-UHFFFAOYSA-N	-1	0	301.274	0.811	20	30		DCEDRM
CC(C)(C(=O)NCCc1nc(=O)o[n-]1)c1ccc(C#N)cc1	ZINC000861388649	666925103	/nfs/dbraw/zinc/92/51/03/666925103.db2.gz	NCCFLDXXDITCAJ-UHFFFAOYSA-N	-1	0	300.318	0.871	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC000861783991	666978232	/nfs/dbraw/zinc/97/82/32/666978232.db2.gz	OTZMVEHNNAFLFK-MRVPVSSYSA-N	-1	0	318.251	0.572	20	30		DCEDRM
N#CCN[C@H]1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001034751727	667134633	/nfs/dbraw/zinc/13/46/33/667134633.db2.gz	WFCHGBOZNMIWGL-XYPYZODXSA-N	-1	0	314.349	0.177	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1C)C(=O)[O-]	ZINC000863410777	667140796	/nfs/dbraw/zinc/14/07/96/667140796.db2.gz	KUAHGIHECCWBRB-LLVKDONJSA-N	-1	0	310.331	0.577	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1cn(CC)cn1)C(=O)[O-]	ZINC000863421284	667142285	/nfs/dbraw/zinc/14/22/85/667142285.db2.gz	QJBQFNVBIQKOER-QMMMGPOBSA-N	-1	0	307.759	0.777	20	30		DCEDRM
C#CCC(C)(C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863934183	667194969	/nfs/dbraw/zinc/19/49/69/667194969.db2.gz	GKRWBWJCWPUZGI-UHFFFAOYSA-N	-1	0	300.318	0.253	20	30		DCEDRM
C#CCCCCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863935078	667195271	/nfs/dbraw/zinc/19/52/71/667195271.db2.gz	SYCKWUUJHOEBGX-UHFFFAOYSA-N	-1	0	300.318	0.397	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)c1c([N+](=O)[O-])c(C)nn1C)C(=O)[O-]	ZINC000864183402	667222272	/nfs/dbraw/zinc/22/22/72/667222272.db2.gz	JSNJWYIGKYUSAN-ZETCQYMHSA-N	-1	0	316.701	0.962	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C(=O)[O-]	ZINC000864183388	667222297	/nfs/dbraw/zinc/22/22/97/667222297.db2.gz	JPAXATOSKZXNJM-SECBINFHSA-N	-1	0	323.798	0.913	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)[O-]	ZINC000864183000	667222536	/nfs/dbraw/zinc/22/25/36/667222536.db2.gz	BPDGHTWPIKFKRV-VIFPVBQESA-N	-1	0	324.786	0.124	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1nc(C2CC2)nn1C)C(=O)[O-]	ZINC000864186227	667222835	/nfs/dbraw/zinc/22/28/35/667222835.db2.gz	LBDMKKNGGBUXSE-SECBINFHSA-N	-1	0	312.757	0.947	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)[O-]	ZINC000864186062	667223002	/nfs/dbraw/zinc/22/30/02/667223002.db2.gz	IATVXPJJPLVHGD-ZCFIWIBFSA-N	-1	0	302.674	0.654	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	ZINC000864451459	667255894	/nfs/dbraw/zinc/25/58/94/667255894.db2.gz	GVEBZNZDJVWTLG-NSHDSACASA-N	-1	0	306.384	0.351	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC2(CO1)CCOCC2	ZINC000864547463	667260573	/nfs/dbraw/zinc/26/05/73/667260573.db2.gz	JYDJDUPBMPWTLJ-LBPRGKRZSA-N	-1	0	312.366	0.854	20	30		DCEDRM
O=C(C#CC1CC1)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001035702115	667401942	/nfs/dbraw/zinc/40/19/42/667401942.db2.gz	JZADCKOJGCAHTK-UHFFFAOYSA-N	-1	0	315.377	0.348	20	30		DCEDRM
CCO[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)[C@@H]1CCOC1	ZINC000870244435	667725227	/nfs/dbraw/zinc/72/52/27/667725227.db2.gz	YTGBTKURNXDSCH-GYSYKLTISA-N	-1	0	305.334	0.753	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccccc1CN(C)C	ZINC000870643392	667749465	/nfs/dbraw/zinc/74/94/65/667749465.db2.gz	FZRQROQMCRBLPE-UHFFFAOYSA-N	-1	0	324.402	0.593	20	30		DCEDRM
C[C@@H](NC(=O)c1ccoc1)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123316613	667758192	/nfs/dbraw/zinc/75/81/92/667758192.db2.gz	DNYHVNJPNLVZEW-KOLCDFICSA-N	-1	0	314.301	0.723	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC#N)c2)cc1	ZINC000747407718	667902431	/nfs/dbraw/zinc/90/24/31/667902431.db2.gz	TWGHLLDBZRHHAG-UHFFFAOYSA-N	-1	0	320.330	0.994	20	30		DCEDRM
COCCn1nc(C(=O)Nc2cc(C#N)ccc2[O-])ccc1=O	ZINC000748003507	667916531	/nfs/dbraw/zinc/91/65/31/667916531.db2.gz	ZVSSNJJPATUEKA-UHFFFAOYSA-N	-1	0	314.301	0.719	20	30		DCEDRM
N#CCOc1ccc(CC(=O)NCCCc2n[nH]c(=O)[n-]2)cc1	ZINC000748381592	667926238	/nfs/dbraw/zinc/92/62/38/667926238.db2.gz	BBNADJCMPKBLQA-UHFFFAOYSA-N	-1	0	315.333	0.704	20	30		DCEDRM
COCCN1C[C@H](C(=O)Nc2cc(C#N)ccc2[O-])CC1=O	ZINC000748410848	667926957	/nfs/dbraw/zinc/92/69/57/667926957.db2.gz	RMQGHGDCEQUVCL-LLVKDONJSA-N	-1	0	303.318	0.697	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000750417827	667978136	/nfs/dbraw/zinc/97/81/36/667978136.db2.gz	CVPDDPLXXIAKTA-UHFFFAOYSA-N	-1	0	309.372	0.761	20	30		DCEDRM
NC(=O)c1ccc(N=NCc2ccc([O-])c([N+](=O)[O-])c2)nn1	ZINC000756831717	668102388	/nfs/dbraw/zinc/10/23/88/668102388.db2.gz	LEZJROGIYBRUCE-UHFFFAOYSA-N	-1	0	302.250	0.635	20	30		DCEDRM
COCCN(C)S(=O)(=O)[N-]C(=O)/C=C/c1ccccc1C#N	ZINC000757333807	668125993	/nfs/dbraw/zinc/12/59/93/668125993.db2.gz	DQRPUMLZMOKGPV-BQYQJAHWSA-N	-1	0	323.374	0.511	20	30		DCEDRM
C#CC[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccc1	ZINC000757612383	668143900	/nfs/dbraw/zinc/14/39/00/668143900.db2.gz	BGPIBOKZUYAJNE-AWEZNQCLSA-N	-1	0	321.340	0.952	20	30		DCEDRM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1n[nH]c(C)c1C#N	ZINC000758408956	668173508	/nfs/dbraw/zinc/17/35/08/668173508.db2.gz	XORPLRORXXJPIT-UHFFFAOYSA-N	-1	0	324.322	0.209	20	30		DCEDRM
C[C@H](C#N)CNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000875477049	668328154	/nfs/dbraw/zinc/32/81/54/668328154.db2.gz	TYYASNMMQUAISB-LDYMZIIASA-N	-1	0	306.288	0.999	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)[N-]OCc1ccccc1OC	ZINC000875602734	668347182	/nfs/dbraw/zinc/34/71/82/668347182.db2.gz	KRLKAMWWWKUGFY-CYBMUJFWSA-N	-1	0	320.345	0.398	20	30		DCEDRM
CCCn1nccc1/C=C\C(=O)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000876498142	668456625	/nfs/dbraw/zinc/45/66/25/668456625.db2.gz	PYUVYIPCEIRODQ-WAYWQWQTSA-N	-1	0	318.333	0.292	20	30		DCEDRM
CC(C)n1cc(/C=C/C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)cn1	ZINC000876498361	668456741	/nfs/dbraw/zinc/45/67/41/668456741.db2.gz	WLMSRXPCZZMTHU-AATRIKPKSA-N	-1	0	318.333	0.463	20	30		DCEDRM
CC(=O)NCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000764829855	668463458	/nfs/dbraw/zinc/46/34/58/668463458.db2.gz	WCTBJBDHVLFEJL-UHFFFAOYSA-N	-1	0	301.368	0.043	20	30		DCEDRM
C=CCN(C(=O)C(=O)NC[C@@H](CC)C(=O)[O-])[C@H](C)COC	ZINC000927957113	668538585	/nfs/dbraw/zinc/53/85/85/668538585.db2.gz	IDORTTABPLVBIF-GHMZBOCLSA-N	-1	0	300.355	0.263	20	30		DCEDRM
CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000766988593	668556153	/nfs/dbraw/zinc/55/61/53/668556153.db2.gz	QYCAAIWTGORTBL-VIFPVBQESA-N	-1	0	312.347	0.797	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC000767983917	668595423	/nfs/dbraw/zinc/59/54/23/668595423.db2.gz	SCFBHLVEVJTGCE-UHFFFAOYSA-N	-1	0	314.388	0.846	20	30		DCEDRM
CCN(CC)c1ccnc(N=NCc2cn(CC(=O)[O-])nn2)n1	ZINC000768486099	668612220	/nfs/dbraw/zinc/61/22/20/668612220.db2.gz	XGVAFLUNBBVQNU-UHFFFAOYSA-N	-1	0	318.341	0.445	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2cnn(CC#N)c2)nc1Cl	ZINC000769828873	668664745	/nfs/dbraw/zinc/66/47/45/668664745.db2.gz	NYWNHPWWOCAKKW-UHFFFAOYSA-N	-1	0	300.731	0.594	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(-n2cnnn2)c1	ZINC000770868021	668720870	/nfs/dbraw/zinc/72/08/70/668720870.db2.gz	BMYOJVYFHUOUTF-GFCCVEGCSA-N	-1	0	321.300	0.601	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCCn1ccccc1=O	ZINC000770869521	668720983	/nfs/dbraw/zinc/72/09/83/668720983.db2.gz	XZPUTEXEKKFFCI-GFCCVEGCSA-N	-1	0	312.329	0.954	20	30		DCEDRM
Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771078141	668730095	/nfs/dbraw/zinc/73/00/95/668730095.db2.gz	QURLBDCNOWAIMZ-UHFFFAOYSA-N	-1	0	311.363	0.974	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1	ZINC000772724226	668782651	/nfs/dbraw/zinc/78/26/51/668782651.db2.gz	VDQPVUQTKNBMRF-CQSZACIVSA-N	-1	0	309.343	0.790	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)Cc1ccnn1C	ZINC000774095878	668822270	/nfs/dbraw/zinc/82/22/70/668822270.db2.gz	QYTSFDVGMGQBOI-UHFFFAOYSA-N	-1	0	318.358	0.648	20	30		DCEDRM
C=CCCOCCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000776088410	668870621	/nfs/dbraw/zinc/87/06/21/668870621.db2.gz	KLJGCUWFFDYDDU-GFCCVEGCSA-N	-1	0	305.396	0.984	20	30		DCEDRM
Cn1c2ccc(C(=O)[N-]S(=O)(=O)CCCC#N)cc2[nH]c1=O	ZINC000776119542	668871156	/nfs/dbraw/zinc/87/11/56/668871156.db2.gz	SPEYBLXCUMXSDJ-UHFFFAOYSA-N	-1	0	322.346	0.642	20	30		DCEDRM
CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)N1CCCC1=O	ZINC000776122475	668871196	/nfs/dbraw/zinc/87/11/96/668871196.db2.gz	GEQLOXLZFCIRGS-LBPRGKRZSA-N	-1	0	315.395	0.383	20	30		DCEDRM
C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776117683	668871242	/nfs/dbraw/zinc/87/12/42/668871242.db2.gz	VOXQSKZFJIEYOR-GHMZBOCLSA-N	-1	0	304.368	0.320	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC000776503170	668876983	/nfs/dbraw/zinc/87/69/83/668876983.db2.gz	NLFBVSKFURUZCV-AAEUAGOBSA-N	-1	0	324.358	0.467	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-]	ZINC000776589812	668878728	/nfs/dbraw/zinc/87/87/28/668878728.db2.gz	XXBQLGCEYMUHIU-SSDOTTSWSA-N	-1	0	305.743	0.218	20	30		DCEDRM
COCCOc1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccn1	ZINC000777303891	668886220	/nfs/dbraw/zinc/88/62/20/668886220.db2.gz	IHUDRAFYCQKNHH-LBPRGKRZSA-N	-1	0	305.334	0.954	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000778910041	668905751	/nfs/dbraw/zinc/90/57/51/668905751.db2.gz	GENGACVPYGJPAN-UHFFFAOYSA-N	-1	0	323.321	0.546	20	30		DCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cnc(C(=O)OC)cn1	ZINC000780304133	668978505	/nfs/dbraw/zinc/97/85/05/668978505.db2.gz	NBJXDMIUVWZEMU-JTQLQIEISA-N	-1	0	318.333	0.892	20	30		DCEDRM
N#Cc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])nc1	ZINC000780886589	669015120	/nfs/dbraw/zinc/01/51/20/669015120.db2.gz	BIPFNCVKVMVSDQ-UHFFFAOYSA-N	-1	0	319.302	0.735	20	30		DCEDRM
Cn1nncc1S(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000781741044	669060707	/nfs/dbraw/zinc/06/07/07/669060707.db2.gz	GTQXUEJZISEODC-UHFFFAOYSA-N	-1	0	319.346	0.124	20	30		DCEDRM
CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000784929110	669231729	/nfs/dbraw/zinc/23/17/29/669231729.db2.gz	KGYOZNHDTISPGY-JTQLQIEISA-N	-1	0	313.379	0.137	20	30		DCEDRM
COc1ccc(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)cc1C#N	ZINC000785400819	669253578	/nfs/dbraw/zinc/25/35/78/669253578.db2.gz	DBOFTMOLWATFIH-STQMWFEESA-N	-1	0	304.302	0.815	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2NC(=O)O[C@H]2C)n1	ZINC000786066043	669290128	/nfs/dbraw/zinc/29/01/28/669290128.db2.gz	CEUNGSHBMFTGOM-QXFUBDJGSA-N	-1	0	323.330	0.668	20	30		DCEDRM
C=CCNC(=O)COC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000786765274	669329003	/nfs/dbraw/zinc/32/90/03/669329003.db2.gz	JCFLHTIHFWZPRB-VIFPVBQESA-N	-1	0	310.272	0.535	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000787936774	669413907	/nfs/dbraw/zinc/41/39/07/669413907.db2.gz	UYLWBOWZYKKSOH-SNVBAGLBSA-N	-1	0	314.294	0.408	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)CCCCC(N)=O)cc1	ZINC000788179399	669420480	/nfs/dbraw/zinc/42/04/80/669420480.db2.gz	GKGABNVNSGDRAH-UHFFFAOYSA-N	-1	0	323.374	0.550	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC000788341257	669432013	/nfs/dbraw/zinc/43/20/13/669432013.db2.gz	QSAKDIFQBISOEC-GFCCVEGCSA-N	-1	0	303.318	0.890	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)CCC	ZINC000791108736	669594459	/nfs/dbraw/zinc/59/44/59/669594459.db2.gz	MVYYTKCPTGXZLA-LLVKDONJSA-N	-1	0	300.380	0.247	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1COc2cc(OC)ccc2C1	ZINC000791111742	669594482	/nfs/dbraw/zinc/59/44/82/669594482.db2.gz	XLPYRAAXLAZCDY-GFCCVEGCSA-N	-1	0	323.370	0.716	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C)nn(CC)c1Cl	ZINC000791111095	669594634	/nfs/dbraw/zinc/59/46/34/669594634.db2.gz	MRRBMXULNLYMFW-UHFFFAOYSA-N	-1	0	303.771	0.948	20	30		DCEDRM
CN(CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)c1ccccc1	ZINC000793203395	669707137	/nfs/dbraw/zinc/70/71/37/669707137.db2.gz	KIUFFXPXCKDTEK-UHFFFAOYSA-N	-1	0	307.375	0.873	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCN2C(C)=O	ZINC000132740183	669743551	/nfs/dbraw/zinc/74/35/51/669743551.db2.gz	ILPAAKLZNCDKOJ-UHFFFAOYSA-N	-1	0	308.359	0.841	20	30		DCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2ccccc2-n2ccnn2)nn1	ZINC000794732909	669861685	/nfs/dbraw/zinc/86/16/85/669861685.db2.gz	SZCFMLGYPUCSLQ-AATRIKPKSA-N	-1	0	324.300	0.840	20	30		DCEDRM
Cn1ccc(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)n1	ZINC000797049930	669954522	/nfs/dbraw/zinc/95/45/22/669954522.db2.gz	RMVNBYSWLRBKRL-UHFFFAOYSA-N	-1	0	324.406	0.883	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CC2OCCO2)CCCC1	ZINC000797244926	669960832	/nfs/dbraw/zinc/96/08/32/669960832.db2.gz	OUZYBBQUCNFRPN-UHFFFAOYSA-N	-1	0	302.352	0.279	20	30		DCEDRM
C#CCOc1cccc(NC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1	ZINC000797742671	669974954	/nfs/dbraw/zinc/97/49/54/669974954.db2.gz	DBELQAHRDONZPU-YPMHNXCESA-N	-1	0	304.302	0.750	20	30		DCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797939561	669981285	/nfs/dbraw/zinc/98/12/85/669981285.db2.gz	ZEBQZUKGOUZVLN-UHFFFAOYSA-N	-1	0	322.346	0.929	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCn1c(C)csc1=O	ZINC000798202346	669992108	/nfs/dbraw/zinc/99/21/08/669992108.db2.gz	NPOLIJYTLUJFIH-UHFFFAOYSA-N	-1	0	302.377	0.078	20	30		DCEDRM
C#Cc1cncc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c1	ZINC000798283009	669996416	/nfs/dbraw/zinc/99/64/16/669996416.db2.gz	VCKUOBWXLRPJMA-UHFFFAOYSA-N	-1	0	323.359	0.538	20	30		DCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCC(=O)NC1	ZINC000798855147	670027659	/nfs/dbraw/zinc/02/76/59/670027659.db2.gz	BWZFIGXBMCYDJV-LBPRGKRZSA-N	-1	0	313.379	0.043	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000799078022	670037367	/nfs/dbraw/zinc/03/73/67/670037367.db2.gz	WYONTTWZWIOBMU-UWVGGRQHSA-N	-1	0	308.300	0.580	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1coc(C2CCOCC2)n1	ZINC000802121606	670151558	/nfs/dbraw/zinc/15/15/58/670151558.db2.gz	IZQQMBSJALPRJV-UHFFFAOYSA-N	-1	0	300.336	0.814	20	30		DCEDRM
C=CCN1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CC1	ZINC000949141131	670271274	/nfs/dbraw/zinc/27/12/74/670271274.db2.gz	NDZIMHVCEMBWHN-UHFFFAOYSA-N	-1	0	306.410	0.705	20	30		DCEDRM
COc1ccc(CNC(=O)CSc2n[nH]c(=O)[n-]2)cc1C#N	ZINC000807117767	670347787	/nfs/dbraw/zinc/34/77/87/670347787.db2.gz	CSXKLWAKOZDBMQ-UHFFFAOYSA-N	-1	0	319.346	0.799	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC000951865647	670393915	/nfs/dbraw/zinc/39/39/15/670393915.db2.gz	WMMLLXRULLVFDQ-SCZZXKLOSA-N	-1	0	305.338	0.304	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(=O)N2)c1	ZINC000808977666	670432681	/nfs/dbraw/zinc/43/26/81/670432681.db2.gz	SUDQUESMKWFENE-NSHDSACASA-N	-1	0	321.358	0.422	20	30		DCEDRM
N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc2n(n1)CCO2	ZINC000810530072	670488665	/nfs/dbraw/zinc/48/86/65/670488665.db2.gz	UTIMMOYFGMCIIU-GFCCVEGCSA-N	-1	0	310.313	0.914	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C)nn(CC(F)F)c1C	ZINC000810774263	670496965	/nfs/dbraw/zinc/49/69/65/670496965.db2.gz	GCJRXIJTDYDPSS-UHFFFAOYSA-N	-1	0	319.333	0.848	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C1CCCC1	ZINC000810777584	670497182	/nfs/dbraw/zinc/49/71/82/670497182.db2.gz	FOCSHZZHUGXCGA-JTQLQIEISA-N	-1	0	300.380	0.151	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccccc1	ZINC000810779599	670497453	/nfs/dbraw/zinc/49/74/53/670497453.db2.gz	UJSYAJCIPUOMBE-LLVKDONJSA-N	-1	0	308.359	0.274	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CNC(=O)Nc1ccccc1	ZINC000810780554	670497574	/nfs/dbraw/zinc/49/75/74/670497574.db2.gz	HVJFSODEYKFUJK-UHFFFAOYSA-N	-1	0	309.347	0.277	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](NC(C)=O)c1ccccc1	ZINC000810781465	670497795	/nfs/dbraw/zinc/49/77/95/670497795.db2.gz	CEHXMDMFRLZYBW-CQSZACIVSA-N	-1	0	322.386	0.723	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccccc1C(=O)OC	ZINC000810782212	670497818	/nfs/dbraw/zinc/49/78/18/670497818.db2.gz	MCHUIBGWLDYZNR-UHFFFAOYSA-N	-1	0	309.343	0.485	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)CC)C1	ZINC000810782639	670497825	/nfs/dbraw/zinc/49/78/25/670497825.db2.gz	QSSQRTJKSZUEBB-LLVKDONJSA-N	-1	0	300.380	0.104	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccc(F)cc2)n1	ZINC000810784202	670497951	/nfs/dbraw/zinc/49/79/51/670497951.db2.gz	VYBJYCWFTCOGPM-UHFFFAOYSA-N	-1	0	322.321	0.489	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1	ZINC000810785612	670498042	/nfs/dbraw/zinc/49/80/42/670498042.db2.gz	NARTWPPQILDDQS-UHFFFAOYSA-N	-1	0	320.168	0.115	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](CC1CCC1)NC(C)=O	ZINC000810784802	670498063	/nfs/dbraw/zinc/49/80/63/670498063.db2.gz	OQYDYHAARFSOBK-GFCCVEGCSA-N	-1	0	300.380	0.151	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2(OC)CCOCC2)CC1	ZINC000810987250	670502350	/nfs/dbraw/zinc/50/23/50/670502350.db2.gz	DJVUBMZZGGECPU-UHFFFAOYSA-N	-1	0	303.380	0.737	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(=O)N2)CC1	ZINC000810987402	670502533	/nfs/dbraw/zinc/50/25/33/670502533.db2.gz	KZMRMMGGZIMLRB-JTQLQIEISA-N	-1	0	300.380	0.600	20	30		DCEDRM
N#CCC(=O)N1CCN(CC(=O)[N-]OCc2ccccc2)CC1	ZINC000846955033	670504909	/nfs/dbraw/zinc/50/49/09/670504909.db2.gz	KUQZKWCYQXSVRV-UHFFFAOYSA-N	-1	0	316.361	0.292	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=S)N=NC1c1ccc(OC)cc1	ZINC000812782972	670595961	/nfs/dbraw/zinc/59/59/61/670595961.db2.gz	RXOSVOSNYWHNID-UHFFFAOYSA-N	-1	0	318.358	0.923	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCOC2)c1	ZINC000813979834	670667558	/nfs/dbraw/zinc/66/75/58/670667558.db2.gz	FWYJDRNGBDAEHY-SNVBAGLBSA-N	-1	0	309.347	0.575	20	30		DCEDRM
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc(=O)n(C)[n-]1	ZINC000855013552	670669731	/nfs/dbraw/zinc/66/97/31/670669731.db2.gz	TZEOOBMMYSCTCA-CYBMUJFWSA-N	-1	0	300.318	0.803	20	30		DCEDRM
C[C@@H]1CC(N=Nc2nc3[nH][nH]cc-3c(=O)n2)CC[C@H]1C(=O)[O-]	ZINC000814843243	670704538	/nfs/dbraw/zinc/70/45/38/670704538.db2.gz	PZTCDKIZPXSVMN-HTRCEHHLSA-N	-1	0	304.310	0.721	20	30		DCEDRM
C[C@H]1C(=NNC(=S)NCC(N)=O)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814844372	670705167	/nfs/dbraw/zinc/70/51/67/670705167.db2.gz	HGUKYWHYFZHDPY-YUMQZZPRSA-N	-1	0	314.411	0.449	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)c1	ZINC000848611752	670705527	/nfs/dbraw/zinc/70/55/27/670705527.db2.gz	SJANRCRMTYHIOZ-AWEZNQCLSA-N	-1	0	316.357	0.757	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC	ZINC000855606432	670734530	/nfs/dbraw/zinc/73/45/30/670734530.db2.gz	IDGZRCZPBWYLAM-VIFPVBQESA-N	-1	0	300.311	0.124	20	30		DCEDRM
CCc1ccc(C#CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1	ZINC000815519613	670746326	/nfs/dbraw/zinc/74/63/26/670746326.db2.gz	CLISXXAZNKMGKC-AWEZNQCLSA-N	-1	0	311.345	0.714	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cn2c(n1)CCC[C@H]2C	ZINC000849219619	670766830	/nfs/dbraw/zinc/76/68/30/670766830.db2.gz	RAZFXLPZDMVBHR-SNVBAGLBSA-N	-1	0	311.363	0.489	20	30		DCEDRM
CCn1ncc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000815895185	670770510	/nfs/dbraw/zinc/77/05/10/670770510.db2.gz	HHDSVDTZSHGXJS-UHFFFAOYSA-N	-1	0	305.319	0.288	20	30		DCEDRM
CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)nc1	ZINC000815908791	670771138	/nfs/dbraw/zinc/77/11/38/670771138.db2.gz	JANDWEQYPXILQF-LLVKDONJSA-N	-1	0	301.302	0.859	20	30		DCEDRM
C=CCCO[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1	ZINC000856030028	670776890	/nfs/dbraw/zinc/77/68/90/670776890.db2.gz	MSPKLSWHTASNRT-CYBMUJFWSA-N	-1	0	320.324	0.870	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc2n1CCCCC2	ZINC000857010074	670873832	/nfs/dbraw/zinc/87/38/32/670873832.db2.gz	CUZSDMBKZRVQHL-LLVKDONJSA-N	-1	0	304.350	0.695	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1nn(C)c2ccccc12	ZINC000817732150	670934393	/nfs/dbraw/zinc/93/43/93/670934393.db2.gz	DXKLGHTYLKHQBW-UHFFFAOYSA-N	-1	0	305.359	0.585	20	30		DCEDRM
CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)cc1	ZINC000850731174	670936900	/nfs/dbraw/zinc/93/69/00/670936900.db2.gz	LPPKMLDLGMAABG-SECBINFHSA-N	-1	0	309.347	1.000	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)C(C)C	ZINC000850788118	670940720	/nfs/dbraw/zinc/94/07/20/670940720.db2.gz	MLIHHISUQKAXRI-SNVBAGLBSA-N	-1	0	320.349	0.415	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N(C)CCC	ZINC000850888219	670952476	/nfs/dbraw/zinc/95/24/76/670952476.db2.gz	OJQVNKCFSYARCH-LLVKDONJSA-N	-1	0	305.400	0.160	20	30		DCEDRM
CCOCCOCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000850940638	670956147	/nfs/dbraw/zinc/95/61/47/670956147.db2.gz	RVBSADWQQNNLSK-UHFFFAOYSA-N	-1	0	318.395	0.569	20	30		DCEDRM
Cn1ncc(Cl)c1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000850960623	670957808	/nfs/dbraw/zinc/95/78/08/670957808.db2.gz	LDAVUWPVMJDDBC-UHFFFAOYSA-N	-1	0	316.770	0.827	20	30		DCEDRM
C#CCCCCNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000858296276	670990003	/nfs/dbraw/zinc/99/00/03/670990003.db2.gz	RAABMJRZSHYYAW-UHFFFAOYSA-N	-1	0	315.333	0.190	20	30		DCEDRM
C#Cc1ccc(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1	ZINC000851651131	671004295	/nfs/dbraw/zinc/00/42/95/671004295.db2.gz	GSQKSIIFNJRMSL-RHSMWYFYSA-N	-1	0	314.341	0.911	20	30		DCEDRM
C=CCCn1cc(C([O-])=C(C#N)C(=O)NCCCOC)nn1	ZINC000819942151	671148725	/nfs/dbraw/zinc/14/87/25/671148725.db2.gz	XVUMZBOKMRLDBC-LLVKDONJSA-N	-1	0	305.338	0.329	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819954853	671149146	/nfs/dbraw/zinc/14/91/46/671149146.db2.gz	CDHTVYLLYJIVJB-DOMZBBRYSA-N	-1	0	306.366	0.683	20	30		DCEDRM
C#CCOCCNC(=O)CN(CC(=O)[O-])c1ccc(Cl)cc1	ZINC000853004347	671201448	/nfs/dbraw/zinc/20/14/48/671201448.db2.gz	BTIQNEGROFARMN-UHFFFAOYSA-N	-1	0	324.764	0.997	20	30		DCEDRM
C[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C(C)(C)C1	ZINC000820527695	671208007	/nfs/dbraw/zinc/20/80/07/671208007.db2.gz	QTRCSHFJBXZBED-JTQLQIEISA-N	-1	0	304.350	0.858	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncc2c(F)cccn21	ZINC000860469347	671211280	/nfs/dbraw/zinc/21/12/80/671211280.db2.gz	QJQXKQVWXCQPFM-VIFPVBQESA-N	-1	0	304.281	0.558	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncc2c(F)cccn21	ZINC000860469343	671211288	/nfs/dbraw/zinc/21/12/88/671211288.db2.gz	QJQXKQVWXCQPFM-SECBINFHSA-N	-1	0	304.281	0.558	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cncc(N2CCCC2=O)c1	ZINC000860471228	671211863	/nfs/dbraw/zinc/21/18/63/671211863.db2.gz	DWSQVELPVAYYJH-ZDUSSCGKSA-N	-1	0	312.329	0.809	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2COC(=O)C2)c(F)c1	ZINC000820720777	671221415	/nfs/dbraw/zinc/22/14/15/671221415.db2.gz	QVCIZHNZNBNZTE-ZETCQYMHSA-N	-1	0	302.258	0.430	20	30		DCEDRM
CCO[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C1CC1	ZINC000860669915	671228418	/nfs/dbraw/zinc/22/84/18/671228418.db2.gz	MVRPWHQMWBSRCM-NSHDSACASA-N	-1	0	300.380	0.941	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cccc(NC(C)=O)c1	ZINC000820896403	671236655	/nfs/dbraw/zinc/23/66/55/671236655.db2.gz	RRGLWIZIKHULEW-UHFFFAOYSA-N	-1	0	308.359	0.657	20	30		DCEDRM
CC(=O)Nc1cccc(CC(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000821046513	671248163	/nfs/dbraw/zinc/24/81/63/671248163.db2.gz	BFMZYSRVZILQSB-UHFFFAOYSA-N	-1	0	309.347	0.547	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000861015045	671259611	/nfs/dbraw/zinc/25/96/11/671259611.db2.gz	ZYYXGHUBFGWNCF-UHFFFAOYSA-N	-1	0	324.333	0.683	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)Cc2cncnc2)cc1	ZINC000821619638	671285642	/nfs/dbraw/zinc/28/56/42/671285642.db2.gz	HAFSLDYWRUQAJK-UHFFFAOYSA-N	-1	0	316.342	0.537	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000824021121	671416615	/nfs/dbraw/zinc/41/66/15/671416615.db2.gz	INQRPMJRRHZVIG-LBPRGKRZSA-N	-1	0	314.345	0.473	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000824290726	671426720	/nfs/dbraw/zinc/42/67/20/671426720.db2.gz	RENDRGWSJFWACG-LLVKDONJSA-N	-1	0	300.318	0.082	20	30		DCEDRM
C[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000824937437	671444447	/nfs/dbraw/zinc/44/44/47/671444447.db2.gz	PSUSMNJHFKLPJH-NXEZZACHSA-N	-1	0	314.353	0.630	20	30		DCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826379383	671486708	/nfs/dbraw/zinc/48/67/08/671486708.db2.gz	QLBMMJXLLYNSES-SNVBAGLBSA-N	-1	0	313.321	0.576	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CCN(CCC#N)CC2)cc1=O	ZINC000828517192	671554847	/nfs/dbraw/zinc/55/48/47/671554847.db2.gz	APWAZOJHPOAPJZ-UHFFFAOYSA-N	-1	0	319.409	0.433	20	30		DCEDRM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CSCC#N)C1	ZINC000830832859	671643089	/nfs/dbraw/zinc/64/30/89/671643089.db2.gz	JVBRAOXHJUUPPZ-JTQLQIEISA-N	-1	0	309.313	0.913	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cn1	ZINC000831145560	671655935	/nfs/dbraw/zinc/65/59/35/671655935.db2.gz	XZHOEJNVFAVIJL-UHFFFAOYSA-N	-1	0	311.263	0.813	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1	ZINC000835043660	671787076	/nfs/dbraw/zinc/78/70/76/671787076.db2.gz	XMNQMMQGQFTXHW-GFCCVEGCSA-N	-1	0	310.375	0.518	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000835117871	671788122	/nfs/dbraw/zinc/78/81/22/671788122.db2.gz	HFYAWMZMLUNXNN-LLVKDONJSA-N	-1	0	306.343	0.543	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)CCC(=O)OC)OCC	ZINC000842356655	672007947	/nfs/dbraw/zinc/00/79/47/672007947.db2.gz	WYIXNHLZKJTYLB-SNVBAGLBSA-N	-1	0	307.368	0.367	20	30		DCEDRM
CCCCCC[C@H](C)NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000842616793	672022115	/nfs/dbraw/zinc/02/21/15/672022115.db2.gz	VWSHKCYMTXZDQP-NSHDSACASA-N	-1	0	306.366	0.883	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)C2)c1	ZINC000842704142	672029773	/nfs/dbraw/zinc/02/97/73/672029773.db2.gz	CWVSDTIKVQMDSO-GFCCVEGCSA-N	-1	0	306.343	0.873	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCc3ncncc3C2)CC1	ZINC000842754018	672034271	/nfs/dbraw/zinc/03/42/71/672034271.db2.gz	KCKHWPWDIWLYND-JTQLQIEISA-N	-1	0	320.374	0.331	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)N[C@@H](CC)C(=O)[O-])cc1	ZINC000843048006	672056027	/nfs/dbraw/zinc/05/60/27/672056027.db2.gz	IVPFMIYHKIOOQE-LBPRGKRZSA-N	-1	0	304.302	0.617	20	30		DCEDRM
CCOC(=O)c1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)[nH]n1	ZINC000843264183	672077173	/nfs/dbraw/zinc/07/71/73/672077173.db2.gz	GZKZBIXJQBDTPM-DSYXLKISSA-N	-1	0	318.285	0.815	20	30		DCEDRM
CS(=O)(=O)N1CC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000844269081	672169929	/nfs/dbraw/zinc/16/99/29/672169929.db2.gz	AHCVUMJJCZANGW-SRMXYGTFSA-N	-1	0	313.335	0.753	20	30		DCEDRM
CCOC(=O)CCS(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844815896	672204644	/nfs/dbraw/zinc/20/46/44/672204644.db2.gz	JXEQCKIJZUBHQI-UHFFFAOYSA-N	-1	0	317.363	0.069	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1	ZINC000844818493	672204701	/nfs/dbraw/zinc/20/47/01/672204701.db2.gz	RPISUHSUMQHOAJ-CYBMUJFWSA-N	-1	0	315.391	0.685	20	30		DCEDRM
CO[C@@H](CC(=O)[N-]S(=O)(=O)CCCC#N)C(F)(F)F	ZINC000845501245	672253816	/nfs/dbraw/zinc/25/38/16/672253816.db2.gz	CVTPXBCDVMYCHA-ZETCQYMHSA-N	-1	0	302.274	0.704	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H]1c1ccncc1	ZINC000845546275	672259385	/nfs/dbraw/zinc/25/93/85/672259385.db2.gz	VPDVIEDAARCWFB-OLZOCXBDSA-N	-1	0	308.359	0.629	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2COCO2)c(F)c1	ZINC000867398143	672277514	/nfs/dbraw/zinc/27/75/14/672277514.db2.gz	UIPBCYWGVFHYHC-QMMMGPOBSA-N	-1	0	304.274	0.488	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(CNC(C)=O)cc1	ZINC000846153263	672297747	/nfs/dbraw/zinc/29/77/47/672297747.db2.gz	GZFSHLRVWSTETJ-JTQLQIEISA-N	-1	0	305.334	0.884	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1	ZINC000846154236	672297906	/nfs/dbraw/zinc/29/79/06/672297906.db2.gz	MAKNIJZMYBJNCW-SECBINFHSA-N	-1	0	318.333	0.991	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000846546731	672326896	/nfs/dbraw/zinc/32/68/96/672326896.db2.gz	FHVHZINILQNGRB-GHMZBOCLSA-N	-1	0	323.374	0.847	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cnn(-c2ccc(F)cc2)n1	ZINC000739086651	685327286	/nfs/dbraw/zinc/32/72/86/685327286.db2.gz	HULKWCVCBJUGKE-UHFFFAOYSA-N	-1	0	303.253	0.457	20	30		DCEDRM
CC[C@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813985614	685351472	/nfs/dbraw/zinc/35/14/72/685351472.db2.gz	ICILTMCPWCLSFV-CABZTGNLSA-N	-1	0	311.363	0.819	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnc3n2CCC3)CCCC1	ZINC000850933181	685371131	/nfs/dbraw/zinc/37/11/31/685371131.db2.gz	XFQNXYJRDLAPEG-UHFFFAOYSA-N	-1	0	322.390	0.973	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@H]2C[C@H](NCC#N)C2)cc1=O	ZINC001020359983	693782608	/nfs/dbraw/zinc/78/26/08/693782608.db2.gz	BEPRUHVFYDNJNH-HAQNSBGRSA-N	-1	0	305.382	0.135	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C2CCN(C(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC000953869517	685880092	/nfs/dbraw/zinc/88/00/92/685880092.db2.gz	UUXJHLBDUAIUJB-SECBINFHSA-N	-1	0	319.365	0.646	20	30		DCEDRM
C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000967253250	689969050	/nfs/dbraw/zinc/96/90/50/689969050.db2.gz	GBANETGPLFHJEM-ZJUUUORDSA-N	-1	0	307.354	0.299	20	30		DCEDRM
C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001017696205	692966071	/nfs/dbraw/zinc/96/60/71/692966071.db2.gz	KAVGSEYUGMPDAZ-PHIMTYICSA-N	-1	0	319.365	0.077	20	30		DCEDRM
C=CCN1CCO[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21	ZINC001074218693	694842677	/nfs/dbraw/zinc/84/26/77/694842677.db2.gz	CWOBFWBXWKLIKV-RYUDHWBXSA-N	-1	0	306.366	0.525	20	30		DCEDRM
C#CCCCC(=O)N[C@@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001076165656	695002869	/nfs/dbraw/zinc/00/28/69/695002869.db2.gz	KHPHEJBXECAFKB-JTQLQIEISA-N	-1	0	306.366	0.852	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001076510125	695026034	/nfs/dbraw/zinc/02/60/34/695026034.db2.gz	DKFZWGGMCMSJDR-ONGXEEELSA-N	-1	0	322.365	0.087	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001744901556	1157684324	/nfs/dbraw/zinc/68/43/24/1157684324.db2.gz	GPYUBBYOOYAWCW-PSLIRLAXSA-N	-1	0	324.381	0.375	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2ccc(Cl)nc2)c(=O)[n-]c1=O	ZINC001626125178	1158946489	/nfs/dbraw/zinc/94/64/89/1158946489.db2.gz	XERPSAICGLGGBP-UHFFFAOYSA-N	-1	0	319.708	0.185	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCSC[C@H](C(=O)[O-])C2)CC1	ZINC001610620650	1159838526	/nfs/dbraw/zinc/83/85/26/1159838526.db2.gz	KWBWSVNNOZVFIL-SNVBAGLBSA-N	-1	0	318.420	0.760	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@H](NCC#N)C2CC2)cc1=O	ZINC001566713943	1160135071	/nfs/dbraw/zinc/13/50/71/1160135071.db2.gz	FYIJOECLLISSPD-AWEZNQCLSA-N	-1	0	319.409	0.383	20	30		DCEDRM
C=C(C)[C@H](CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)OCC	ZINC001567795143	1160481994	/nfs/dbraw/zinc/48/19/94/1160481994.db2.gz	VHXTZWHZHDPXRN-NSHDSACASA-N	-1	0	309.370	0.182	20	30		DCEDRM
C=CCOCCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-]	ZINC001567853660	1160502130	/nfs/dbraw/zinc/50/21/30/1160502130.db2.gz	DWNGAPRKXTWPJX-RYUDHWBXSA-N	-1	0	306.366	0.525	20	30		DCEDRM
CCOC(=O)[C@H](CC(=O)[O-])S[C@@H](C)C(=O)N(C)CCC#N	ZINC001573780975	1163551318	/nfs/dbraw/zinc/55/13/18/1163551318.db2.gz	BKJIRFLPWRLAQQ-UWVGGRQHSA-N	-1	0	316.379	0.887	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccncc1	ZINC001574112078	1163638604	/nfs/dbraw/zinc/63/86/04/1163638604.db2.gz	HSDAHQGNILREAS-CHWSQXEVSA-N	-1	0	314.301	0.506	20	30		DCEDRM
Cc1cc(NC(=O)N2CCO[C@](C)(C(=O)[O-])C2)nn1CCC#N	ZINC001574140891	1163645640	/nfs/dbraw/zinc/64/56/40/1163645640.db2.gz	FQCMUMXVWLDKTP-AWEZNQCLSA-N	-1	0	321.337	0.813	20	30		DCEDRM
Cc1cc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)nn1CCC#N	ZINC001574141106	1163647493	/nfs/dbraw/zinc/64/74/93/1163647493.db2.gz	HZHBXUYCTNCQDS-GFCCVEGCSA-N	-1	0	319.365	0.840	20	30		DCEDRM
N#C[C@]1(C(=O)NCc2nc(C(=O)[O-])n[nH]2)CC2CCC1CC2	ZINC001574241488	1163671977	/nfs/dbraw/zinc/67/19/77/1163671977.db2.gz	MLKVYKWZNJEOBK-OAQUUNCKSA-N	-1	0	303.322	0.839	20	30		DCEDRM
N#Cc1ccc(C2(C(=O)NCc3nc(C(=O)[O-])n[nH]3)CC2)cc1	ZINC001574244961	1163672635	/nfs/dbraw/zinc/67/26/35/1163672635.db2.gz	CRBYVJVZIMICTL-UHFFFAOYSA-N	-1	0	311.301	0.723	20	30		DCEDRM
N#Cc1ccncc1C(=O)NCc1nc(CC(=O)[O-])cs1	ZINC001574248646	1163673799	/nfs/dbraw/zinc/67/37/99/1163673799.db2.gz	MACLZYSJJVPPQT-UHFFFAOYSA-N	-1	0	302.315	0.967	20	30		DCEDRM
C[C@](O)(CNc1cnc(C#N)c(-c2nnn[n-]2)n1)C(F)(F)F	ZINC001575472760	1164027479	/nfs/dbraw/zinc/02/74/79/1164027479.db2.gz	JQSNPEHJLUIDJQ-VIFPVBQESA-N	-1	0	314.231	0.254	20	30		DCEDRM
C[C@H]1CSCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001576377684	1164319776	/nfs/dbraw/zinc/31/97/76/1164319776.db2.gz	KMPJCMMWJGNNIU-MRVPVSSYSA-N	-1	0	302.367	0.718	20	30		DCEDRM
CC[C@H](C)NC(=O)CCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001576655098	1164424746	/nfs/dbraw/zinc/42/47/46/1164424746.db2.gz	RIGKPCPYGFHQQT-QMMMGPOBSA-N	-1	0	315.341	0.245	20	30		DCEDRM
Cc1cc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)ncc1C#N	ZINC001580979840	1165768411	/nfs/dbraw/zinc/76/84/11/1165768411.db2.gz	WZFCWXHYAGMILV-MRVPVSSYSA-N	-1	0	324.308	0.233	20	30		DCEDRM
Cn1ccnc1[C@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001581797462	1165878361	/nfs/dbraw/zinc/87/83/61/1165878361.db2.gz	DAMCSJKPRMKBOH-VIFPVBQESA-N	-1	0	322.336	0.256	20	30		DCEDRM
N#Cc1nc(NC(=O)C2SCCCS2)[n-]c1-c1nn[nH]n1	ZINC001581859946	1165890870	/nfs/dbraw/zinc/89/08/70/1165890870.db2.gz	DNNIFKLZAMIFMK-UHFFFAOYSA-N	-1	0	322.379	0.596	20	30		DCEDRM
N#Cc1nc(NC(=O)C=C[C@@H]2CCCO2)[n-]c1-c1nn[nH]n1	ZINC001581860131	1165891951	/nfs/dbraw/zinc/89/19/51/1165891951.db2.gz	LNNYGUDCOCFVKC-SDLBARTOSA-N	-1	0	300.282	0.135	20	30		DCEDRM
N#Cc1ccc(CC(=O)Cn2cnc(-c3nnn[n-]3)cc2=O)cc1	ZINC001581869430	1165894371	/nfs/dbraw/zinc/89/43/71/1165894371.db2.gz	YISISCJVZBPSOE-UHFFFAOYSA-N	-1	0	321.300	0.107	20	30		DCEDRM
N#Cc1ccc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)cc1F	ZINC001581872289	1165897521	/nfs/dbraw/zinc/89/75/21/1165897521.db2.gz	UAZNBVXMPFAYHJ-UHFFFAOYSA-N	-1	0	313.252	0.188	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc1-c1nnn[n-]1	ZINC001581883322	1165900982	/nfs/dbraw/zinc/90/09/82/1165900982.db2.gz	WGTPDWSHQSQJLK-WQHBLYJGSA-N	-1	0	324.348	0.898	20	30		DCEDRM
N#Cc1ncc(N[C@@H](CO)C2CCCC2)nc1-c1nnn[n-]1	ZINC001581882688	1165901374	/nfs/dbraw/zinc/90/13/74/1165901374.db2.gz	FVJZBYRKPSTONX-JTQLQIEISA-N	-1	0	300.326	0.491	20	30		DCEDRM
C[C@@H]1C(=O)N([N-]C(=O)c2ncc(C#N)cc2Cl)C(=O)N1C	ZINC001585138852	1166405362	/nfs/dbraw/zinc/40/53/62/1166405362.db2.gz	VMFJHNHXOZYVNZ-ZCFIWIBFSA-N	-1	0	307.697	0.534	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC001588326323	1166522891	/nfs/dbraw/zinc/52/28/91/1166522891.db2.gz	JLPOEEIZBWOGLM-ZETCQYMHSA-N	-1	0	318.362	0.831	20	30		DCEDRM
C#CC[C@H](NC(=O)c1[nH]cnc1C(=O)c1ccccc1)C(=O)[O-]	ZINC001588414674	1166550971	/nfs/dbraw/zinc/55/09/71/1166550971.db2.gz	XSDUFDVOKDAMBQ-NSHDSACASA-N	-1	0	311.297	0.847	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnn(C)c2)n1CC(=C)C	ZINC001588426278	1166552740	/nfs/dbraw/zinc/55/27/40/1166552740.db2.gz	FGZQBQRSHLAUEN-UHFFFAOYSA-N	-1	0	314.349	0.779	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	ZINC001588479678	1166557172	/nfs/dbraw/zinc/55/71/72/1166557172.db2.gz	ZCDRNADKWHAFSN-HDJSIYSDSA-N	-1	0	320.389	0.865	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NCCNc1ccnc(-c2nnn[n-]2)n1	ZINC001588523327	1166559269	/nfs/dbraw/zinc/55/92/69/1166559269.db2.gz	JEAGUCDBTYJNTK-SNVBAGLBSA-N	-1	0	316.369	0.209	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)n1C	ZINC001588725296	1166580927	/nfs/dbraw/zinc/58/09/27/1166580927.db2.gz	AAVHRBHQSNAGCX-CABZTGNLSA-N	-1	0	302.338	0.526	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(CNC(C)=O)cc1)C(=O)[O-]	ZINC001588861607	1166611470	/nfs/dbraw/zinc/61/14/70/1166611470.db2.gz	IOIDIVHIOMEAPX-AWEZNQCLSA-N	-1	0	320.345	0.708	20	30		DCEDRM
C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)O1	ZINC001590189449	1166802900	/nfs/dbraw/zinc/80/29/00/1166802900.db2.gz	CRZIUZJCXXBGAT-CCGCGBOQSA-N	-1	0	302.298	0.213	20	30		DCEDRM
CC[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)C(OC)OC	ZINC001590474136	1166920719	/nfs/dbraw/zinc/92/07/19/1166920719.db2.gz	YSVGQQJBBXRNCI-SSDOTTSWSA-N	-1	0	304.314	0.338	20	30		DCEDRM
CNC(=O)c1ccc(Cn2cnc(-c3nnn[n-]3)c2C#N)cc1	ZINC001591213309	1167158942	/nfs/dbraw/zinc/15/89/42/1167158942.db2.gz	GZPWLOGFXOJQDI-UHFFFAOYSA-N	-1	0	308.305	0.343	20	30		DCEDRM
Cc1nn(Cc2cncc(C#N)c2)c(=O)c(-c2nnn[n-]2)c1C	ZINC001592437773	1167522880	/nfs/dbraw/zinc/52/28/80/1167522880.db2.gz	LDONQNBWYZECFS-UHFFFAOYSA-N	-1	0	308.305	0.355	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1C[C@H]1CCC2(CCC2)CO1	ZINC001592681660	1167599016	/nfs/dbraw/zinc/59/90/16/1167599016.db2.gz	HABZSNMXEWAIPY-SECBINFHSA-N	-1	0	314.353	0.866	20	30		DCEDRM
N#Cc1ncc(NCc2nnc(C3CC3)[nH]2)nc1-c1nnn[n-]1	ZINC001592708598	1167607033	/nfs/dbraw/zinc/60/70/33/1167607033.db2.gz	BPBWEUVKHISAJB-UHFFFAOYSA-N	-1	0	309.297	0.136	20	30		DCEDRM
Cc1c(NN=Cc2cn(C)c(=O)n(C)c2=O)cccc1C(=O)[O-]	ZINC001600051160	1168107433	/nfs/dbraw/zinc/10/74/33/1168107433.db2.gz	OMKGQQROTDLVOL-UHFFFAOYSA-N	-1	0	316.317	0.537	20	30		DCEDRM
Cc1cc(C(=O)N(CC#N)CC(=O)[O-])c(C)n1-c1cnccn1	ZINC001600077938	1168112093	/nfs/dbraw/zinc/11/20/93/1168112093.db2.gz	KQTIREILOREFRQ-UHFFFAOYSA-N	-1	0	313.317	0.935	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001600075932	1168112274	/nfs/dbraw/zinc/11/22/74/1168112274.db2.gz	FPKCTIFKRDAQMB-DGCLKSJQSA-N	-1	0	324.358	0.465	20	30		DCEDRM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(CC#N)CC2)n1	ZINC001600104823	1168120775	/nfs/dbraw/zinc/12/07/75/1168120775.db2.gz	IEZYRQKJNFXHDC-UHFFFAOYSA-N	-1	0	305.294	0.642	20	30		DCEDRM
Cc1ccn(Cc2noc(CCCC(=O)[O-])n2)c(=O)c1C#N	ZINC001600598827	1168208271	/nfs/dbraw/zinc/20/82/71/1168208271.db2.gz	RDUFAIYPVOHATA-UHFFFAOYSA-N	-1	0	302.290	0.867	20	30		DCEDRM
Cc1nc(C#N)c(C#N)n1CC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC001600682136	1168247487	/nfs/dbraw/zinc/24/74/87/1168247487.db2.gz	MQOLPRRXMPPKNF-SNVBAGLBSA-N	-1	0	303.322	0.550	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)ccc1C#N	ZINC001600710427	1168260026	/nfs/dbraw/zinc/26/00/26/1168260026.db2.gz	AVAUKDSSRSXXQD-UHFFFAOYSA-N	-1	0	302.290	0.324	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cc1C#N	ZINC001600744676	1168271569	/nfs/dbraw/zinc/27/15/69/1168271569.db2.gz	AWNWBBYGGHHBSB-ONGXEEELSA-N	-1	0	313.310	0.447	20	30		DCEDRM
Cc1nnsc1CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001600802347	1168300520	/nfs/dbraw/zinc/30/05/20/1168300520.db2.gz	CIEXSTVSKITNBD-UHFFFAOYSA-N	-1	0	309.351	0.747	20	30		DCEDRM
Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001600910789	1168502798	/nfs/dbraw/zinc/50/27/98/1168502798.db2.gz	OKSSJFKKYWQZOT-WISYIIOYSA-N	-1	0	301.350	0.989	20	30		DCEDRM
Cn1cc(C=Nn2cnc3c(cnn3C)c2=O)cc1C(=O)[O-]	ZINC001600944612	1168523139	/nfs/dbraw/zinc/52/31/39/1168523139.db2.gz	PJNRDEMHDCNSDD-UHFFFAOYSA-N	-1	0	300.278	0.049	20	30		DCEDRM
Cn1cnc2cc(S(=O)(=O)N(CC#N)CCC(=O)[O-])ccc21	ZINC001600993125	1168550390	/nfs/dbraw/zinc/55/03/90/1168550390.db2.gz	GOJFHAKJFUATQE-UHFFFAOYSA-N	-1	0	322.346	0.562	20	30		DCEDRM
N#C[C@@H](c1ccccc1)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC001601049970	1168577876	/nfs/dbraw/zinc/57/78/76/1168577876.db2.gz	SQYHHIXGILXPDR-OLZOCXBDSA-N	-1	0	308.359	0.825	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(Cc2cn(C[C@H]3CCOC3)nn2)CC1	ZINC001601051542	1168577940	/nfs/dbraw/zinc/57/79/40/1168577940.db2.gz	AIVGXIJXSRZRML-GFCCVEGCSA-N	-1	0	319.365	0.505	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)CCC1	ZINC001601057596	1168578174	/nfs/dbraw/zinc/57/81/74/1168578174.db2.gz	DDDPWRYGYQRBRV-GFCCVEGCSA-N	-1	0	302.352	0.233	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)Nc2cnc3nccn3c2)CC1	ZINC001601055542	1168578641	/nfs/dbraw/zinc/57/86/41/1168578641.db2.gz	NTSUMJIGBDOGFD-UHFFFAOYSA-N	-1	0	314.305	0.952	20	30		DCEDRM
N#CC1CCC(CNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])CC1	ZINC001601057727	1168578848	/nfs/dbraw/zinc/57/88/48/1168578848.db2.gz	CZIAUVSGGTWJPP-WXRRBKDZSA-N	-1	0	321.377	0.898	20	30		DCEDRM
N#CC[C@H](N1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O)C(F)(F)F	ZINC001601061295	1168579020	/nfs/dbraw/zinc/57/90/20/1168579020.db2.gz	CAZPVPQJAVDOQL-PRJMDXOYSA-N	-1	0	319.239	0.958	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1	ZINC001601057680	1168579280	/nfs/dbraw/zinc/57/92/80/1168579280.db2.gz	DZUROKFOFGPFBT-BONVTDFDSA-N	-1	0	323.324	0.164	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1	ZINC001601064487	1168579635	/nfs/dbraw/zinc/57/96/35/1168579635.db2.gz	YWFPEALUMIHJTC-AAEUAGOBSA-N	-1	0	321.377	0.756	20	30		DCEDRM
N#CC[C@@]1(O)CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1	ZINC001601062691	1168580015	/nfs/dbraw/zinc/58/00/15/1168580015.db2.gz	LSCGPPJGOSJLGM-CQSZACIVSA-N	-1	0	324.358	0.565	20	30		DCEDRM
N#CCCCCS(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001601066033	1168580246	/nfs/dbraw/zinc/58/02/46/1168580246.db2.gz	YMMRGALZJCLHOP-WDEREUQCSA-N	-1	0	304.368	0.337	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CNC(=O)c1cccc(Cl)c1	ZINC001601071051	1168581037	/nfs/dbraw/zinc/58/10/37/1168581037.db2.gz	QENIDBCYZWIRRJ-UHFFFAOYSA-N	-1	0	323.736	0.897	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cc2c([nH]c1=O)CCOC2	ZINC001601070839	1168581136	/nfs/dbraw/zinc/58/11/36/1168581136.db2.gz	WUTGMUDBLKHAPP-UHFFFAOYSA-N	-1	0	305.290	0.300	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@H]1CCCN(C(=O)C2CC2)C1	ZINC001601071306	1168581143	/nfs/dbraw/zinc/58/11/43/1168581143.db2.gz	ZCJCEHYYVZNENP-LBPRGKRZSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)Cn1ncc2ccccc2c1=O	ZINC001601070710	1168581236	/nfs/dbraw/zinc/58/12/36/1168581236.db2.gz	STACQYIRPKEFQP-UHFFFAOYSA-N	-1	0	314.301	0.223	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CSC(c2ccccc2)=N1	ZINC001601070018	1168581345	/nfs/dbraw/zinc/58/13/45/1168581345.db2.gz	VZGLKROBFBSOMN-NSHDSACASA-N	-1	0	303.343	0.985	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2ncsc2c1	ZINC001601072539	1168581549	/nfs/dbraw/zinc/58/15/49/1168581549.db2.gz	RVDSJHQOYYGUSR-UHFFFAOYSA-N	-1	0	311.344	0.895	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c(C(F)(F)F)c1	ZINC001601072807	1168581576	/nfs/dbraw/zinc/58/15/76/1168581576.db2.gz	ZLXJOQGIKRJRTD-UHFFFAOYSA-N	-1	0	311.241	0.632	20	30		DCEDRM
N#CCNC(=O)CN1CCC[C@H](c2ncc(C(=O)[O-])s2)C1	ZINC001601074896	1168582155	/nfs/dbraw/zinc/58/21/55/1168582155.db2.gz	VMTPSVBDRUKNKV-VIFPVBQESA-N	-1	0	308.363	0.660	20	30		DCEDRM
N#CCNCCc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1	ZINC001601074721	1168582179	/nfs/dbraw/zinc/58/21/79/1168582179.db2.gz	OGJAISSOMJPKNW-KBPBESRZSA-N	-1	0	301.346	0.679	20	30		DCEDRM
N#CCOc1cccc(CC(=O)NC2(C(=O)[O-])CC(CO)C2)c1	ZINC001601074374	1168582499	/nfs/dbraw/zinc/58/24/99/1168582499.db2.gz	VDXJUCLAKUUCBM-UHFFFAOYSA-N	-1	0	318.329	0.473	20	30		DCEDRM
N#Cc1cc(O)cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1	ZINC001601089072	1168583520	/nfs/dbraw/zinc/58/35/20/1168583520.db2.gz	LBCLKYIRQCPSFZ-GFCCVEGCSA-N	-1	0	317.301	0.069	20	30		DCEDRM
N#Cc1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)ccc1F	ZINC001601084913	1168583551	/nfs/dbraw/zinc/58/35/51/1168583551.db2.gz	PANGZZLHWPAJEE-UHFFFAOYSA-N	-1	0	315.264	0.684	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1O	ZINC001601093267	1168583970	/nfs/dbraw/zinc/58/39/70/1168583970.db2.gz	ZFMJIXWPYIFIDZ-CYBMUJFWSA-N	-1	0	304.302	0.562	20	30		DCEDRM
N#Cc1ccc(N2C[C@H](C(=O)N[C@H](CF)C(=O)[O-])CC2=O)cc1	ZINC001601105789	1168585340	/nfs/dbraw/zinc/58/53/40/1168585340.db2.gz	IQJVQFBITTZDCC-ZYHUDNBSSA-N	-1	0	319.292	0.450	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1F	ZINC001601100770	1168585349	/nfs/dbraw/zinc/58/53/49/1168585349.db2.gz	YJPMYMCMFLZLOX-XYPYZODXSA-N	-1	0	319.292	0.293	20	30		DCEDRM
N#Cc1ccc(CN2CCC[C@@H](O)[C@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC001601100922	1168585646	/nfs/dbraw/zinc/58/56/46/1168585646.db2.gz	RDWGGEBZEFSZNX-OLZOCXBDSA-N	-1	0	305.290	0.876	20	30		DCEDRM
N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1	ZINC001601108832	1168586024	/nfs/dbraw/zinc/58/60/24/1168586024.db2.gz	URLNZLCVIIZIFX-LMLFDSFASA-N	-1	0	301.306	0.128	20	30		DCEDRM
N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nc1	ZINC001601108052	1168586026	/nfs/dbraw/zinc/58/60/26/1168586026.db2.gz	YUWUIBPNJUZFTA-ZDEQEGDKSA-N	-1	0	314.345	0.981	20	30		DCEDRM
N#Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cc1	ZINC001601107531	1168586236	/nfs/dbraw/zinc/58/62/36/1168586236.db2.gz	UVVLZYCOMYLOCL-LBPRGKRZSA-N	-1	0	316.317	0.755	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@@]2(C(=O)[O-])CCSC2)nc1	ZINC001601108790	1168586448	/nfs/dbraw/zinc/58/64/48/1168586448.db2.gz	VKJZDLJVDJCVQP-ZDUSSCGKSA-N	-1	0	306.347	0.442	20	30		DCEDRM
N#Cc1cccc([C@@H]2CN(CCC(=O)NCC(=O)[O-])CCO2)c1	ZINC001601120436	1168587455	/nfs/dbraw/zinc/58/74/55/1168587455.db2.gz	VEGKILGWTDXUNW-AWEZNQCLSA-N	-1	0	317.345	0.522	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)[C@@H]2CCCS2(=O)=O)C(=O)[O-])c1	ZINC001601117498	1168587809	/nfs/dbraw/zinc/58/78/09/1168587809.db2.gz	BOLIYZOEEYEBRM-NWDGAFQWSA-N	-1	0	323.326	0.804	20	30		DCEDRM
N#Cc1cccc(ON2C(=O)[C@@H]3CC[C@H](C(=O)[O-])CN3C2=O)c1	ZINC001601123749	1168588059	/nfs/dbraw/zinc/58/80/59/1168588059.db2.gz	RHSMUCXJTJRJKX-JQWIXIFHSA-N	-1	0	315.285	0.979	20	30		DCEDRM
N#Cc1cnc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)c(Cl)c1	ZINC001601128864	1168589406	/nfs/dbraw/zinc/58/94/06/1168589406.db2.gz	DEAMZHUZXHRRNT-CYBMUJFWSA-N	-1	0	309.709	0.828	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1N	ZINC001601131511	1168591072	/nfs/dbraw/zinc/59/10/72/1168591072.db2.gz	CSSGYLKBKNTEQL-ZJUUUORDSA-N	-1	0	306.322	0.771	20	30		DCEDRM
N#Cc1cnc(N2CC(n3cc(C(=O)[O-])nn3)C2)c(Cl)c1	ZINC001601130414	1168591551	/nfs/dbraw/zinc/59/15/51/1168591551.db2.gz	OSBFQBKODLLFGY-UHFFFAOYSA-N	-1	0	304.697	0.958	20	30		DCEDRM
N#Cc1cnc(N(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C2CC2)cn1	ZINC001601131049	1168591992	/nfs/dbraw/zinc/59/19/92/1168591992.db2.gz	YTRRDGAVHSJGOV-VXGBXAGGSA-N	-1	0	315.333	0.154	20	30		DCEDRM
O=C(C#CC1CC1)N[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001601223793	1168666284	/nfs/dbraw/zinc/66/62/84/1168666284.db2.gz	LREXMERYVJXVHA-XDQVBPFNSA-N	-1	0	318.373	0.664	20	30		DCEDRM
O=C([O-])[C@@H]1CN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CCO1	ZINC001601238611	1168672155	/nfs/dbraw/zinc/67/21/55/1168672155.db2.gz	LUIRAESLZCCYQH-YIALFULDSA-N	-1	0	307.277	0.720	20	30		DCEDRM
O=C([O-])[C@H]1CN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CCO1	ZINC001601238610	1168673055	/nfs/dbraw/zinc/67/30/55/1168673055.db2.gz	LUIRAESLZCCYQH-VUUYWXRKSA-N	-1	0	307.277	0.720	20	30		DCEDRM
O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)NCC#CCO)C1	ZINC001602195800	1169023101	/nfs/dbraw/zinc/02/31/01/1169023101.db2.gz	LCUDONJRTQCJCH-BDAKNGLRSA-N	-1	0	308.256	0.277	20	30		DCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC001602669977	1169155265	/nfs/dbraw/zinc/15/52/65/1169155265.db2.gz	JTPUQYZQSNXGJZ-QMMMGPOBSA-N	-1	0	318.285	0.248	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)[C@H]1CCCO1	ZINC001602673793	1169155678	/nfs/dbraw/zinc/15/56/78/1169155678.db2.gz	JQOAURPGDMHLPB-VXGBXAGGSA-N	-1	0	305.334	0.567	20	30		DCEDRM
C#C[C@H](NCC(=O)Nc1cccc(C(=O)[O-])n1)[C@H]1CCCO1	ZINC001602678243	1169156863	/nfs/dbraw/zinc/15/68/63/1169156863.db2.gz	KVXIDSODFXXWAF-CMPLNLGQSA-N	-1	0	303.318	0.489	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	ZINC001602677260	1169156987	/nfs/dbraw/zinc/15/69/87/1169156987.db2.gz	SBHOEXYUFMUOGT-YMEQNVIZSA-N	-1	0	304.346	0.228	20	30		DCEDRM
C#CC[C@H](NC(=O)C1(S(=O)(=O)c2ccccc2)CC1)C(=O)[O-]	ZINC001602685264	1169158509	/nfs/dbraw/zinc/15/85/09/1169158509.db2.gz	PXVBYOVXAAAGHW-LBPRGKRZSA-N	-1	0	321.354	0.586	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1)C(=O)[O-]	ZINC001602685136	1169158654	/nfs/dbraw/zinc/15/86/54/1169158654.db2.gz	NJOWTJZTDLUOSX-PSASIEDQSA-N	-1	0	310.306	0.066	20	30		DCEDRM
C#CCN(C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-])C1CCCCC1	ZINC001602711229	1169165620	/nfs/dbraw/zinc/16/56/20/1169165620.db2.gz	AOHOROXNXNVNBC-DGCLKSJQSA-N	-1	0	306.362	0.618	20	30		DCEDRM
C#CCCCNS(=O)(=O)Cc1ccc(F)cc1-c1nn[nH]n1	ZINC001602711096	1169166014	/nfs/dbraw/zinc/16/60/14/1169166014.db2.gz	FYVRVPNXJWFXKB-UHFFFAOYSA-N	-1	0	323.353	0.839	20	30		DCEDRM
C#CCN(CC(=O)NC[C@H]1C[C@H]1C(=O)[O-])C(=O)OC(C)(C)C	ZINC001602715339	1169167915	/nfs/dbraw/zinc/16/79/15/1169167915.db2.gz	DJZITRAQPSJMKX-GHMZBOCLSA-N	-1	0	310.350	0.694	20	30		DCEDRM
C#CCN(CC(=O)NC[C@H](F)C(=O)[O-])C(=O)OC(C)(C)C	ZINC001602715876	1169168171	/nfs/dbraw/zinc/16/81/71/1169168171.db2.gz	VVJKEFKGFSSYPS-VIFPVBQESA-N	-1	0	302.302	0.396	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)NC[C@H](O)CC(=O)[O-]	ZINC001602734336	1169176298	/nfs/dbraw/zinc/17/62/98/1169176298.db2.gz	PDUVHZWQLLKERT-SNVBAGLBSA-N	-1	0	310.281	0.795	20	30		DCEDRM
C#Cc1cccc(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])c1	ZINC001602742310	1169176556	/nfs/dbraw/zinc/17/65/56/1169176556.db2.gz	NCOGJBLKNZUGJG-UHFFFAOYSA-N	-1	0	305.315	0.568	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-]	ZINC001602757932	1169179892	/nfs/dbraw/zinc/17/98/92/1169179892.db2.gz	XMFNZBWINNSPKR-NSHDSACASA-N	-1	0	300.336	0.788	20	30		DCEDRM
C=C(C)Cn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1C1(OC)CC1	ZINC001602771257	1169182855	/nfs/dbraw/zinc/18/28/55/1169182855.db2.gz	PYKRNANXPRSBQM-NSHDSACASA-N	-1	0	322.365	0.780	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC001602816837	1169188335	/nfs/dbraw/zinc/18/83/35/1169188335.db2.gz	RFFHSBUCRKOKFC-ZDUSSCGKSA-N	-1	0	320.345	0.660	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001602851742	1169191974	/nfs/dbraw/zinc/19/19/74/1169191974.db2.gz	YMPCBIFTIFWSQM-NEPJUHHUSA-N	-1	0	324.377	0.286	20	30		DCEDRM
C=CC[C@H](OC(=O)c1ccn(CCn2cccn2)n1)C(=O)[O-]	ZINC001602849781	1169192189	/nfs/dbraw/zinc/19/21/89/1169192189.db2.gz	QKHZEJSAMSEKPC-LBPRGKRZSA-N	-1	0	304.306	0.966	20	30		DCEDRM
C=CCCC(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCOCC1	ZINC001602855881	1169193750	/nfs/dbraw/zinc/19/37/50/1169193750.db2.gz	HAEXKYLKVYQLHB-RYUDHWBXSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)C1=C(C)N(C)c2nnnn2C1)C(=O)[O-]	ZINC001602862474	1169194966	/nfs/dbraw/zinc/19/49/66/1169194966.db2.gz	FNDBTUGCBJTDQH-LLVKDONJSA-N	-1	0	320.353	0.323	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CCN(CCC(=O)[O-])C[C@H]1C	ZINC001602880463	1169198289	/nfs/dbraw/zinc/19/82/89/1169198289.db2.gz	OASZSODRKRDCEF-GFCCVEGCSA-N	-1	0	304.412	0.763	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)c1cnc(N)nc1)C(=O)[O-]	ZINC001602873619	1169198358	/nfs/dbraw/zinc/19/83/58/1169198358.db2.gz	YLTQTZDMCFHZAI-VIFPVBQESA-N	-1	0	300.340	0.147	20	30		DCEDRM
C=CCN(C(=O)c1cc(C(=O)[O-])on1)[C@@H]1CCS(=O)(=O)C1	ZINC001602887182	1169198538	/nfs/dbraw/zinc/19/85/38/1169198538.db2.gz	LCFDTHCOHDZSMN-MRVPVSSYSA-N	-1	0	314.319	0.188	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001602887897	1169200145	/nfs/dbraw/zinc/20/01/45/1169200145.db2.gz	XVUSFFGDHVGNBF-OLZOCXBDSA-N	-1	0	324.377	0.525	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)COCc2ocnc2C(=O)[O-])C1	ZINC001602907028	1169201522	/nfs/dbraw/zinc/20/15/22/1169201522.db2.gz	UFKXQWHHEKNLIS-SNVBAGLBSA-N	-1	0	310.306	0.693	20	30		DCEDRM
C=CCOCC(=O)N(C)CCN(C)c1ccnc(C(=O)[O-])n1	ZINC001602907022	1169201544	/nfs/dbraw/zinc/20/15/44/1169201544.db2.gz	UEIFGWCITSOEDA-UHFFFAOYSA-N	-1	0	308.338	0.272	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(C(=O)[O-])oc1C	ZINC001602902087	1169201558	/nfs/dbraw/zinc/20/15/58/1169201558.db2.gz	NYUYNBDQVDQDNX-QMMMGPOBSA-N	-1	0	324.289	0.843	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1cn2cc(F)ccc2n1)C(=O)[O-]	ZINC001602908809	1169201866	/nfs/dbraw/zinc/20/18/66/1169201866.db2.gz	GEAREHFCNVBJEJ-GFCCVEGCSA-N	-1	0	321.308	0.788	20	30		DCEDRM
C=CCO[C@@H]1CCN(Cn2nc(C(=O)OC)cc2C(=O)[O-])C1	ZINC001602906719	1169201971	/nfs/dbraw/zinc/20/19/71/1169201971.db2.gz	LERGSTCEUPHHDL-SNVBAGLBSA-N	-1	0	309.322	0.602	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)[O-]	ZINC001602909714	1169202741	/nfs/dbraw/zinc/20/27/41/1169202741.db2.gz	FFRAGBLDNZUENC-MNOVXSKESA-N	-1	0	312.366	0.405	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cncc(N2CCCC2)n1)C(=O)[O-]	ZINC001602913565	1169204901	/nfs/dbraw/zinc/20/49/01/1169204901.db2.gz	VTFDQNIPUPYBAD-GFCCVEGCSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCn1c(CC(C)(C)C#N)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602933289	1169210284	/nfs/dbraw/zinc/21/02/84/1169210284.db2.gz	XRTPPKNTXNNUIK-LLVKDONJSA-N	-1	0	319.365	0.846	20	30		DCEDRM
C=CCn1c(-c2cccnc2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602930405	1169210470	/nfs/dbraw/zinc/21/04/70/1169210470.db2.gz	SKTDHDZJPRLJAS-LBPRGKRZSA-N	-1	0	315.333	0.816	20	30		DCEDRM
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001602933251	1169210839	/nfs/dbraw/zinc/21/08/39/1169210839.db2.gz	XCSNKHRICAGMDD-IAQYHMDHSA-N	-1	0	322.365	0.648	20	30		DCEDRM
C=CCn1c(CC(F)(F)F)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602935302	1169212191	/nfs/dbraw/zinc/21/21/91/1169212191.db2.gz	FTFZMEXAGRXLRK-MRVPVSSYSA-N	-1	0	320.271	0.859	20	30		DCEDRM
C=CCN1C(=O)N=NC1S[C@H](CCC(=O)[O-])C(=O)OC	ZINC001602936982	1169212436	/nfs/dbraw/zinc/21/24/36/1169212436.db2.gz	LROHMWZDRTZVEZ-SSDOTTSWSA-N	-1	0	301.324	0.668	20	30		DCEDRM
C=CCn1c(CC(F)(F)F)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602935303	1169213283	/nfs/dbraw/zinc/21/32/83/1169213283.db2.gz	FTFZMEXAGRXLRK-QMMMGPOBSA-N	-1	0	320.271	0.859	20	30		DCEDRM
CC#CC[C@H](CO)Nc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC001602946530	1169217958	/nfs/dbraw/zinc/21/79/58/1169217958.db2.gz	ZIUNKMZPRUYSAK-SECBINFHSA-N	-1	0	312.347	0.218	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001603295563	1169289204	/nfs/dbraw/zinc/28/92/04/1169289204.db2.gz	CITNLQQBTFYJNQ-QWRGUYRKSA-N	-1	0	306.362	0.522	20	30		DCEDRM
CC(C)C1(O)CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001603750181	1169376459	/nfs/dbraw/zinc/37/64/59/1169376459.db2.gz	FZSOYDWFHUNJFL-UHFFFAOYSA-N	-1	0	324.358	0.648	20	30		DCEDRM
CCC(CC)[C@@H](O)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001604023690	1169472810	/nfs/dbraw/zinc/47/28/10/1169472810.db2.gz	YRAUDPWPTCGMSX-JTQLQIEISA-N	-1	0	302.342	0.737	20	30		DCEDRM
C[C@@H](CS(=O)(=O)N1CC(Oc2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001604207023	1169523751	/nfs/dbraw/zinc/52/37/51/1169523751.db2.gz	WKVCMURACLXUKJ-JTQLQIEISA-N	-1	0	324.358	0.672	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001604274331	1169543798	/nfs/dbraw/zinc/54/37/98/1169543798.db2.gz	NRYNOJVHLWHXDE-DTWKUNHWSA-N	-1	0	303.330	0.027	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001604483776	1169599917	/nfs/dbraw/zinc/59/99/17/1169599917.db2.gz	XFSSYFHHXBXSIV-JRPNMDOOSA-N	-1	0	307.350	0.508	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CCO1	ZINC001604484312	1169601279	/nfs/dbraw/zinc/60/12/79/1169601279.db2.gz	FLJWWBZGMPWVSK-WZRBSPASSA-N	-1	0	316.379	0.574	20	30		DCEDRM
C[C@@]12CN(c3ccc(C(=O)[O-])nc3C#N)C[C@@]1(C)C(=O)NC2=O	ZINC001604605098	1169627963	/nfs/dbraw/zinc/62/79/63/1169627963.db2.gz	ARNXEYBJPRSXQM-GJZGRUSLSA-N	-1	0	314.301	0.140	20	30		DCEDRM
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C[C@H]1O	ZINC001604760406	1169672201	/nfs/dbraw/zinc/67/22/01/1169672201.db2.gz	JVYFNFLDSHYZRX-JOYOIKCWSA-N	-1	0	324.358	0.648	20	30		DCEDRM
CN(CCc1ccncc1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001604792394	1169684081	/nfs/dbraw/zinc/68/40/81/1169684081.db2.gz	YXEJFMFPCMLRIR-UHFFFAOYSA-N	-1	0	307.321	0.602	20	30		DCEDRM
CC[C@H](C(=O)[O-])C(=O)N1CCN(c2cnccc2C#N)CC1	ZINC001604870902	1169722974	/nfs/dbraw/zinc/72/29/74/1169722974.db2.gz	AHWXBWSAGPURJH-LBPRGKRZSA-N	-1	0	302.334	0.713	20	30		DCEDRM
CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1cccc(C#N)n1)C(=O)[O-]	ZINC001604935185	1169754054	/nfs/dbraw/zinc/75/40/54/1169754054.db2.gz	HJEGHXNQUBGTDR-NOZJJQNGSA-N	-1	0	319.317	0.726	20	30		DCEDRM
COC(=O)c1cccnc1Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC001604986917	1169771190	/nfs/dbraw/zinc/77/11/90/1169771190.db2.gz	IMRFVPFMWZSWGJ-UHFFFAOYSA-N	-1	0	310.277	0.165	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)CN[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC001605417814	1169915985	/nfs/dbraw/zinc/91/59/85/1169915985.db2.gz	IPTFFHTTXZDVTL-IUODEOHRSA-N	-1	0	321.381	0.324	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N(C[C@H](C)C(=O)[O-])C1CC1	ZINC001605436739	1169920233	/nfs/dbraw/zinc/92/02/33/1169920233.db2.gz	FWZADCSMSBWRLQ-JTQLQIEISA-N	-1	0	303.384	0.652	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NCc1ccoc1C(=O)[O-]	ZINC001605438979	1169922493	/nfs/dbraw/zinc/92/24/93/1169922493.db2.gz	YJAAUPBBQGLOLQ-UHFFFAOYSA-N	-1	0	301.324	0.548	20	30		DCEDRM
CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001605447823	1169924393	/nfs/dbraw/zinc/92/43/93/1169924393.db2.gz	KJLRNOYZSGXCDJ-WDEREUQCSA-N	-1	0	303.322	0.329	20	30		DCEDRM
CN(C(=O)c1ccc(C#N)n1C)[C@H](COC1CCC1)C(=O)[O-]	ZINC001605982187	1170040350	/nfs/dbraw/zinc/04/03/50/1170040350.db2.gz	WEIDOQXDQAMOKM-CYBMUJFWSA-N	-1	0	305.334	0.991	20	30		DCEDRM
Cc1nc(C#N)c(-c2nn[nH]n2)n1Cc1cn2ccccc2n1	ZINC001606023639	1170055162	/nfs/dbraw/zinc/05/51/62/1170055162.db2.gz	ANHNSWRTHILBPS-UHFFFAOYSA-N	-1	0	305.305	0.939	20	30		DCEDRM
CN(CCCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001606121864	1170083760	/nfs/dbraw/zinc/08/37/60/1170083760.db2.gz	UJPGVFLUMGEMDG-MNOVXSKESA-N	-1	0	317.349	0.354	20	30		DCEDRM
N#C[C@]1(F)CCN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)C1	ZINC001606344464	1170163391	/nfs/dbraw/zinc/16/33/91/1170163391.db2.gz	NDQGTOBQPVOJHC-GFCCVEGCSA-N	-1	0	322.325	0.493	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)c2cc(C(=O)[O-])co2)CC1	ZINC001606347100	1170165524	/nfs/dbraw/zinc/16/55/24/1170165524.db2.gz	VVFHZLDRJHGHES-UHFFFAOYSA-N	-1	0	306.274	0.897	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(C#N)[nH]c2C)C1	ZINC001606394384	1170182301	/nfs/dbraw/zinc/18/23/01/1170182301.db2.gz	ZNXLDSBVUKJVDN-SKDRFNHKSA-N	-1	0	319.317	0.673	20	30		DCEDRM
N#Cc1ncc(NCCCNc2ncccn2)nc1-c1nnn[n-]1	ZINC001606398171	1170183527	/nfs/dbraw/zinc/18/35/27/1170183527.db2.gz	PGRMDKQYATXMTQ-UHFFFAOYSA-N	-1	0	323.324	0.232	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(C#N)c(OC)c1	ZINC001606505662	1170221685	/nfs/dbraw/zinc/22/16/85/1170221685.db2.gz	UUVOFOOEEYHFKU-LLVKDONJSA-N	-1	0	320.301	0.703	20	30		DCEDRM
COCCn1ncc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1C	ZINC001606933903	1170334301	/nfs/dbraw/zinc/33/43/01/1170334301.db2.gz	RSHOSJQGNDKPLN-UHFFFAOYSA-N	-1	0	320.349	0.669	20	30		DCEDRM
CON(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@H](C)CC(=O)[O-]	ZINC001606986373	1170347348	/nfs/dbraw/zinc/34/73/48/1170347348.db2.gz	JGONVDYNRCZRMT-SNVBAGLBSA-N	-1	0	319.317	0.541	20	30		DCEDRM
COc1ncncc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001607361561	1170436160	/nfs/dbraw/zinc/43/61/60/1170436160.db2.gz	KTWDFGIPVBITLE-UHFFFAOYSA-N	-1	0	305.294	0.707	20	30		DCEDRM
CS(=O)(=O)[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001607366463	1170438476	/nfs/dbraw/zinc/43/84/76/1170438476.db2.gz	GGIRMVHESCYXKH-OLZOCXBDSA-N	-1	0	308.359	0.803	20	30		DCEDRM
C[C@@H]1CN(C(=O)NCc2nc(C#N)cs2)C[C@@H](C(=O)[O-])O1	ZINC001607433229	1170451494	/nfs/dbraw/zinc/45/14/94/1170451494.db2.gz	LQQKUACIKBAUCZ-APPZFPTMSA-N	-1	0	310.335	0.398	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001607467106	1170460616	/nfs/dbraw/zinc/46/06/16/1170460616.db2.gz	LYXYQZVSAVYZGO-CABZTGNLSA-N	-1	0	317.301	0.197	20	30		DCEDRM
Cc1c(C(=O)NC[C@]2(C(=O)[O-])CCOC2)cnn1CCC#N	ZINC001607507814	1170469500	/nfs/dbraw/zinc/46/95/00/1170469500.db2.gz	CDIIFLIHBQLMGC-CQSZACIVSA-N	-1	0	306.322	0.326	20	30		DCEDRM
Cc1cc(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)nn1CCC#N	ZINC001607690988	1170495862	/nfs/dbraw/zinc/49/58/62/1170495862.db2.gz	FMERIUOLWFTJGM-HLUHBDAQSA-N	-1	0	306.322	0.922	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001607724300	1170500537	/nfs/dbraw/zinc/50/05/37/1170500537.db2.gz	LFOMISNZOVBWJN-JQWIXIFHSA-N	-1	0	324.358	0.729	20	30		DCEDRM
Cc1n[nH]c(=O)c(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1C	ZINC001607934590	1170528053	/nfs/dbraw/zinc/52/80/53/1170528053.db2.gz	JXXLUFMKBIMTOX-UHFFFAOYSA-N	-1	0	304.306	0.630	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN([C@H]2CCN(C3CCOCC3)C2=O)CC1	ZINC001608174619	1170609243	/nfs/dbraw/zinc/60/92/43/1170609243.db2.gz	TZBVRSQPBPCXHB-ZDUSSCGKSA-N	-1	0	321.377	0.457	20	30		DCEDRM
N#CC1(CNC(=O)Cn2cccc(C(=O)[O-])c2=O)CCCC1	ZINC001608175097	1170609272	/nfs/dbraw/zinc/60/92/72/1170609272.db2.gz	OQLHHPRIJZCHFJ-UHFFFAOYSA-N	-1	0	303.318	0.747	20	30		DCEDRM
N#C[C@H]1CN(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CCN1C1CC1	ZINC001608178845	1170610939	/nfs/dbraw/zinc/61/09/39/1170610939.db2.gz	CNXLTJJQDSHDAH-AAEUAGOBSA-N	-1	0	304.350	0.542	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1cncn1Cc1ccccc1	ZINC001608183782	1170611298	/nfs/dbraw/zinc/61/12/98/1170611298.db2.gz	JCJJENBOIDXFFU-UHFFFAOYSA-N	-1	0	312.329	0.911	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@@H]1CCC2(CCOCC2)CO1	ZINC001608183792	1170611519	/nfs/dbraw/zinc/61/15/19/1170611519.db2.gz	JPXUUAGMUVTWOS-LBPRGKRZSA-N	-1	0	310.350	0.789	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)c1	ZINC001608189525	1170612597	/nfs/dbraw/zinc/61/25/97/1170612597.db2.gz	XLZIGCJCNGTTDB-AWEZNQCLSA-N	-1	0	324.358	0.665	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(C[C@H](O)COc2ccccc2)c1=O	ZINC001608195867	1170613598	/nfs/dbraw/zinc/61/35/98/1170613598.db2.gz	HPOIUNMGKMHNKO-ZDUSSCGKSA-N	-1	0	314.297	0.858	20	30		DCEDRM
N#Cc1c(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[nH]nc1N1CCOCC1	ZINC001608194465	1170613857	/nfs/dbraw/zinc/61/38/57/1170613857.db2.gz	PVNPCJXCTQERMD-DTORHVGOSA-N	-1	0	319.321	0.167	20	30		DCEDRM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CF)C(=O)[O-]	ZINC001608195229	1170614053	/nfs/dbraw/zinc/61/40/53/1170614053.db2.gz	JGJUBULKLVOFTJ-SSDOTTSWSA-N	-1	0	317.254	0.167	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])c1	ZINC001608206229	1170614688	/nfs/dbraw/zinc/61/46/88/1170614688.db2.gz	CXDMHMSPXAFUKD-NSHDSACASA-N	-1	0	308.265	0.643	20	30		DCEDRM
N#Cc1ccc(C2CCN(CC(=O)NCCC(=O)[O-])CC2)nc1	ZINC001608204111	1170614868	/nfs/dbraw/zinc/61/48/68/1170614868.db2.gz	STJFSCZPYPWPLJ-UHFFFAOYSA-N	-1	0	316.361	0.724	20	30		DCEDRM
N#Cc1cccnc1N[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001608221148	1170618530	/nfs/dbraw/zinc/61/85/30/1170618530.db2.gz	COWICMKWDKPYAN-XYJRDEOASA-N	-1	0	314.345	0.981	20	30		DCEDRM
N#Cc1cccc2c1CCN2S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001608221492	1170618712	/nfs/dbraw/zinc/61/87/12/1170618712.db2.gz	VZENPBAOVXATQT-UHFFFAOYSA-N	-1	0	318.314	0.731	20	30		DCEDRM
C#C[C@H](NC(=O)c1sccc1-c1nn[nH]n1)[C@H]1CCCO1	ZINC001609019192	1170784885	/nfs/dbraw/zinc/78/48/85/1170784885.db2.gz	PASKPDAVDAARDA-VHSXEESVSA-N	-1	0	303.347	0.839	20	30		DCEDRM
C#CC[C@H](Cc1ccccc1)NS(=O)(=O)N(C)CCC(=O)[O-]	ZINC001609076323	1170800099	/nfs/dbraw/zinc/80/00/99/1170800099.db2.gz	HUJQXGFUANBBSZ-CQSZACIVSA-N	-1	0	324.402	0.862	20	30		DCEDRM
C[C@H](OCC1CC1)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001609132752	1170822519	/nfs/dbraw/zinc/82/25/19/1170822519.db2.gz	HDCNVNQSFYDNCU-LURJTMIESA-N	-1	0	302.298	0.215	20	30		DCEDRM
C#CCN(C)S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-]	ZINC001609137389	1170823234	/nfs/dbraw/zinc/82/32/34/1170823234.db2.gz	QOXUMHLFLLGNNE-UHFFFAOYSA-N	-1	0	317.344	0.487	20	30		DCEDRM
CC[C@@H](NN=Cc1ccc(-c2nn[nH]n2)c(OC)c1)C(=O)[O-]	ZINC001609194772	1170860643	/nfs/dbraw/zinc/86/06/43/1170860643.db2.gz	NEYHEYGRRUNKDL-SNVBAGLBSA-N	-1	0	304.310	0.662	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)COc1cnc(-c2nnn[n-]2)nc1	ZINC001609221557	1170880146	/nfs/dbraw/zinc/88/01/46/1170880146.db2.gz	IKQZAHXGTXMDFT-VIFPVBQESA-N	-1	0	316.325	0.044	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(CC(=O)NC2CCC(C)CC2)CC1	ZINC001609264481	1170904467	/nfs/dbraw/zinc/90/44/67/1170904467.db2.gz	QYXGIJKSOYDINR-NRXISQOPSA-N	-1	0	323.437	0.938	20	30		DCEDRM
C=C[C@@H](N[C@H]1CCN(c2sccc2C(=O)OC)C1=O)C(=O)[O-]	ZINC001609272055	1170905032	/nfs/dbraw/zinc/90/50/32/1170905032.db2.gz	HJEVPQVVMFYOTO-ZJUUUORDSA-N	-1	0	324.358	0.869	20	30		DCEDRM
C=C[C@@H](O)C(=O)OCc1c(C(=O)OC)sc(N)c1C(=O)[O-]	ZINC001609287258	1170913549	/nfs/dbraw/zinc/91/35/49/1170913549.db2.gz	JYWPDBVBVMVLDK-ZCFIWIBFSA-N	-1	0	315.303	0.405	20	30		DCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001609287698	1170913706	/nfs/dbraw/zinc/91/37/06/1170913706.db2.gz	ZZILGUPVUFHPOJ-RYUDHWBXSA-N	-1	0	310.350	0.256	20	30		DCEDRM
C=CCN1CC[C@@H](N[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)C1=O	ZINC001609399031	1170966561	/nfs/dbraw/zinc/96/65/61/1170966561.db2.gz	XOYBVANWNSYZEW-RISCZKNCSA-N	-1	0	320.345	0.903	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])C1	ZINC001609407235	1170969128	/nfs/dbraw/zinc/96/91/28/1170969128.db2.gz	UOTDWDKLKDKLSX-NWDGAFQWSA-N	-1	0	310.350	0.256	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC001609452389	1170983355	/nfs/dbraw/zinc/98/33/55/1170983355.db2.gz	JRPCIZAIZLGHNS-SNVBAGLBSA-N	-1	0	309.709	0.992	20	30		DCEDRM
N#Cc1ncn(CC(=O)[N-]OCc2ccccc2)c1-c1nn[nH]n1	ZINC001609501196	1171000737	/nfs/dbraw/zinc/00/07/37/1171000737.db2.gz	GNDDFPOPMNOLEA-UHFFFAOYSA-N	-1	0	324.304	0.183	20	30		DCEDRM
C[C@H](C#N)CN(C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C1CC1	ZINC001609631331	1171055389	/nfs/dbraw/zinc/05/53/89/1171055389.db2.gz	YCPRRVMEMGZOMW-MRVPVSSYSA-N	-1	0	319.321	0.207	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N(CC#N)CC(=O)[O-])[C@H]2C1	ZINC001609664394	1171062471	/nfs/dbraw/zinc/06/24/71/1171062471.db2.gz	OFPLXHPFLPMJFQ-IAZYJMLFSA-N	-1	0	323.349	0.536	20	30		DCEDRM
CC[C@@H](C)[C@H](NC(=O)COC(=O)c1ccc(C#N)[nH]1)C(=O)[O-]	ZINC001609902364	1171119567	/nfs/dbraw/zinc/11/95/67/1171119567.db2.gz	LTYSOFMAYMDXEH-PELKAZGASA-N	-1	0	307.306	0.659	20	30		DCEDRM
CCN(CCC#N)C(=O)Cn1nc(C(=O)OC)cc1C(=O)[O-]	ZINC001610000491	1171134812	/nfs/dbraw/zinc/13/48/12/1171134812.db2.gz	RWSNDERCZMBKEK-UHFFFAOYSA-N	-1	0	308.294	0.130	20	30		DCEDRM
CN1C[C@@H](C(=O)N(CC#N)CC(=O)[O-])c2ccccc2C1=O	ZINC001610128233	1171164527	/nfs/dbraw/zinc/16/45/27/1171164527.db2.gz	SCOVKBQTPTWHET-GFCCVEGCSA-N	-1	0	301.302	0.293	20	30		DCEDRM
COC(=O)c1cccc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)n1	ZINC001610214773	1171198190	/nfs/dbraw/zinc/19/81/90/1171198190.db2.gz	IHWVGSSOXUYLAK-UHFFFAOYSA-N	-1	0	313.269	0.648	20	30		DCEDRM
CO[C@H]1CCN(C(=O)c2ncc(C#N)cc2C)[C@@H](C(=O)[O-])C1	ZINC001610238424	1171203434	/nfs/dbraw/zinc/20/34/34/1171203434.db2.gz	WNWKVDJLKXFRGA-NWDGAFQWSA-N	-1	0	303.318	0.966	20	30		DCEDRM
COc1ccc(COC(=O)Cn2cc(C(=O)[O-])nn2)cc1C#N	ZINC001610336482	1171221934	/nfs/dbraw/zinc/22/19/34/1171221934.db2.gz	NMNJCROTEPJQPU-UHFFFAOYSA-N	-1	0	316.273	0.600	20	30		DCEDRM
Cc1[nH]c(C(=O)Cn2cncc(C#N)c2=O)c(C)c1C(=O)[O-]	ZINC001610398745	1171231208	/nfs/dbraw/zinc/23/12/08/1171231208.db2.gz	IHFXPLBYRDZOFP-UHFFFAOYSA-N	-1	0	300.274	0.641	20	30		DCEDRM
N#CCN(CC(=O)[O-])Cc1ccc(CN2CCOCC2)cc1	ZINC001610622527	1171271061	/nfs/dbraw/zinc/27/10/61/1171271061.db2.gz	WGEBTMBUWRDQQK-UHFFFAOYSA-N	-1	0	303.362	0.929	20	30		DCEDRM
N#CCN1CCN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC1	ZINC001610622649	1171271292	/nfs/dbraw/zinc/27/12/92/1171271292.db2.gz	DNDHMZZSJXSHNN-VXGBXAGGSA-N	-1	0	315.395	0.101	20	30		DCEDRM
N#CCN1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1	ZINC001610623352	1171271495	/nfs/dbraw/zinc/27/14/95/1171271495.db2.gz	YAAXPDPBODHZBY-UHFFFAOYSA-N	-1	0	324.362	0.046	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1	ZINC001610624602	1171271504	/nfs/dbraw/zinc/27/15/04/1171271504.db2.gz	VUUIXLLDMFDCAH-NEPJUHHUSA-N	-1	0	324.358	0.209	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001610621078	1171271642	/nfs/dbraw/zinc/27/16/42/1171271642.db2.gz	VGAYZLVRDKXVSJ-GMTAPVOTSA-N	-1	0	302.352	0.184	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CN2CC[C@](F)(C(=O)[O-])C2)cc1	ZINC001610628133	1171272650	/nfs/dbraw/zinc/27/26/50/1171272650.db2.gz	PIIDQCCZVKFHCF-OAHLLOKOSA-N	-1	0	305.309	0.673	20	30		DCEDRM
N#Cc1ccc(OCCN2C(=O)N[C@H](CCC(=O)[O-])C2=O)cc1	ZINC001610629558	1171272766	/nfs/dbraw/zinc/27/27/66/1171272766.db2.gz	ROWGQAZTKRKGTD-GFCCVEGCSA-N	-1	0	317.301	0.722	20	30		DCEDRM
N#Cc1cscc1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001610634257	1171273668	/nfs/dbraw/zinc/27/36/68/1171273668.db2.gz	SOIJAWAMMOVFQP-VIFPVBQESA-N	-1	0	317.330	0.997	20	30		DCEDRM
NC(=O)CNC(=S)NN=C1CCC[C@H](CCCC(=O)[O-])C1	ZINC001610637713	1171274603	/nfs/dbraw/zinc/27/46/03/1171274603.db2.gz	KHXABXVPPFSVPP-SECBINFHSA-N	-1	0	314.411	0.737	20	30		DCEDRM
CN(Cc1ccccc1[N+](=O)[O-])c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001611777939	1171358048	/nfs/dbraw/zinc/35/80/48/1171358048.db2.gz	XRDACVVSWCQNRE-UHFFFAOYSA-N	-1	0	315.289	0.490	20	30		DCEDRM
C=CC(=O)NCCNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001627042599	1171496294	/nfs/dbraw/zinc/49/62/94/1171496294.db2.gz	PDSBQTZSUCETIX-UHFFFAOYSA-N	-1	0	306.347	0.413	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCOC[C@H]1CCCO1	ZINC001629432432	1171548687	/nfs/dbraw/zinc/54/86/87/1171548687.db2.gz	DRFFNSMDQBHILC-GFCCVEGCSA-N	-1	0	305.334	0.893	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1nn2cnnc2s1	ZINC001635744105	1171712700	/nfs/dbraw/zinc/71/27/00/1171712700.db2.gz	AZVWNBUWVJZTON-UHFFFAOYSA-N	-1	0	301.291	0.719	20	30		DCEDRM
N#Cc1cn(C2CN(c3ncnc4ccccc43)C2)c(=O)[n-]c1=O	ZINC001640165126	1171868652	/nfs/dbraw/zinc/86/86/52/1171868652.db2.gz	FJBYJQWSNCDGOC-UHFFFAOYSA-N	-1	0	320.312	0.825	20	30		DCEDRM
C[C@](O)(Cn1ccccc1=O)C(=O)[N-]Oc1cccc(C#N)c1	ZINC001643520733	1171980243	/nfs/dbraw/zinc/98/02/43/1171980243.db2.gz	UGGMRIVZEMBZAD-INIZCTEOSA-N	-1	0	313.313	0.581	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@]2(O)CCO[C@@H]2C)cc1C#N	ZINC001645742002	1172121353	/nfs/dbraw/zinc/12/13/53/1172121353.db2.gz	QPAPYYRXMFMKQG-XLKFXECMSA-N	-1	0	323.374	0.650	20	30		DCEDRM
CC[NH+]1CCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2C)CC1	ZINC001646672946	1172464417	/nfs/dbraw/zinc/46/44/17/1172464417.db2.gz	RASGUDOMWUJUDU-UHFFFAOYSA-N	-1	0	313.365	0.596	20	30		DCEDRM
CCC1(CC)[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C[C@@H]1OC	ZINC001647630429	1173007507	/nfs/dbraw/zinc/00/75/07/1173007507.db2.gz	KIUVXSPKIKZOFG-QWRGUYRKSA-N	-1	0	306.366	0.951	20	30		DCEDRM
CCC1(CC)[C@H](OC)C[C@@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001647630430	1173007579	/nfs/dbraw/zinc/00/75/79/1173007579.db2.gz	KIUVXSPKIKZOFG-WDEREUQCSA-N	-1	0	306.366	0.951	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2C[C@H](C)OC2=O)cc1C#N	ZINC001649868603	1173272934	/nfs/dbraw/zinc/27/29/34/1173272934.db2.gz	MXKIUYGFWFXWHV-IMTBSYHQSA-N	-1	0	307.331	0.815	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(CC)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001665715674	1174556783	/nfs/dbraw/zinc/55/67/83/1174556783.db2.gz	UFKLEHCKPGIWCN-XHDPSFHLSA-N	-1	0	323.397	0.260	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001665715671	1174557272	/nfs/dbraw/zinc/55/72/72/1174557272.db2.gz	UFKLEHCKPGIWCN-ABAIWWIYSA-N	-1	0	323.397	0.260	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CCO1	ZINC000093932600	1175685838	/nfs/dbraw/zinc/68/58/38/1175685838.db2.gz	CTHLZMMCDKLXNQ-QMMMGPOBSA-N	-1	0	312.303	0.003	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001680524027	1175829997	/nfs/dbraw/zinc/82/99/97/1175829997.db2.gz	RNLXOLSDSUHKHA-ONGXEEELSA-N	-1	0	322.365	0.346	20	30		DCEDRM
C=CCCOCC(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001701201566	1178954865	/nfs/dbraw/zinc/95/48/65/1178954865.db2.gz	SDBZTOIVSFBUHF-SNVBAGLBSA-N	-1	0	324.381	0.593	20	30		DCEDRM
CC#CCCCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001715291556	1181762721	/nfs/dbraw/zinc/76/27/21/1181762721.db2.gz	ISSDUHYDXUPJEC-GFCCVEGCSA-N	-1	0	321.381	0.021	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)nc1	ZINC001716501552	1182415620	/nfs/dbraw/zinc/41/56/20/1182415620.db2.gz	UNXGGEHTYZMYOR-JTQLQIEISA-N	-1	0	314.349	0.137	20	30		DCEDRM
C#CCCCCC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001716838401	1182540896	/nfs/dbraw/zinc/54/08/96/1182540896.db2.gz	NGGIPPYPXAVHSG-HNNXBMFYSA-N	-1	0	305.382	0.785	20	30		DCEDRM
C=C[C@@H](C)[C@@H](C)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001721336142	1183897080	/nfs/dbraw/zinc/89/70/80/1183897080.db2.gz	IVJIVROXSCYCHI-RKDXNWHRSA-N	-1	0	306.366	0.823	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001723405001	1184295808	/nfs/dbraw/zinc/29/58/08/1184295808.db2.gz	ASBZXANCPDZJCC-WDEREUQCSA-N	-1	0	309.370	0.182	20	30		DCEDRM
C=CCCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001734722511	1186731452	/nfs/dbraw/zinc/73/14/52/1186731452.db2.gz	ZMCGLNVNSPNZNK-IUCAKERBSA-N	-1	0	323.353	0.262	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(CCOC)cc1)C(=O)[O-]	ZINC000274925490	1187180516	/nfs/dbraw/zinc/18/05/16/1187180516.db2.gz	BOMYCWNXMKADPS-CYBMUJFWSA-N	-1	0	311.359	0.630	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)C#CC2CC2)c1[O-]	ZINC001737655574	1187381276	/nfs/dbraw/zinc/38/12/76/1187381276.db2.gz	SPQDZBYUYVLEHE-SECBINFHSA-N	-1	0	304.350	0.462	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC1(NCC#N)CCC1	ZINC001754992856	1188987688	/nfs/dbraw/zinc/98/76/88/1188987688.db2.gz	ULZNDOVIOOHAAH-UHFFFAOYSA-N	-1	0	320.315	0.596	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@H]2COC(=O)C2)CCCC1	ZINC001771645305	1190396098	/nfs/dbraw/zinc/39/60/98/1190396098.db2.gz	MGFUWUNCSKPJKH-SNVBAGLBSA-N	-1	0	314.363	0.470	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1nc(=O)o[n-]1	ZINC001771646584	1190398822	/nfs/dbraw/zinc/39/88/22/1190398822.db2.gz	OZIPNNZFCYWZHX-CYBMUJFWSA-N	-1	0	310.310	0.241	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1C#N)[C@@H]1CCOC1	ZINC001771780240	1190496636	/nfs/dbraw/zinc/49/66/36/1190496636.db2.gz	UMLVSHHNBMSWQB-DGCLKSJQSA-N	-1	0	324.358	0.415	20	30		DCEDRM
C[C@@H]1COc2ccccc2CN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001772118913	1190611176	/nfs/dbraw/zinc/61/11/76/1190611176.db2.gz	ZGKIIAFCXWVXEL-SNVBAGLBSA-N	-1	0	312.329	0.733	20	30		DCEDRM
CN1C[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)Cc2ccccc21	ZINC001772119569	1190611664	/nfs/dbraw/zinc/61/16/64/1190611664.db2.gz	KTZPUTRAIJXWET-NSHDSACASA-N	-1	0	311.345	0.418	20	30		DCEDRM
COC1(OC)CCOC[C@@H]1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001167440895	747214522	/nfs/dbraw/zinc/21/45/22/747214522.db2.gz	WSSDOGIIEVLYPG-NSHDSACASA-N	-1	0	321.333	0.475	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNc2cnc(C#N)cn2)c1[O-]	ZINC001104528253	747687119	/nfs/dbraw/zinc/68/71/19/747687119.db2.gz	CXHMYPAPIJSJMF-QMMMGPOBSA-N	-1	0	315.337	0.658	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)NC[C@@H](C)Nc1cncc(C#N)n1	ZINC001098228679	747926079	/nfs/dbraw/zinc/92/60/79/747926079.db2.gz	JWYUWICQDUYXSR-MRVPVSSYSA-N	-1	0	313.321	0.383	20	30		DCEDRM
C=CCOCCNC(=O)c1nc[n-]c(=O)c1Br	ZINC001167756941	748105041	/nfs/dbraw/zinc/10/50/41/748105041.db2.gz	GQLCPBTXSFWTNN-UHFFFAOYSA-N	-1	0	302.128	0.877	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)c1[O-]	ZINC001058877930	748415350	/nfs/dbraw/zinc/41/53/50/748415350.db2.gz	MECWGCNMHHUCRR-VIFPVBQESA-N	-1	0	313.321	0.412	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)Nc2cncc(C#N)n2)c1[O-]	ZINC001112990573	762074025	/nfs/dbraw/zinc/07/40/25/762074025.db2.gz	HXOBDYSCRMZWPV-JGVFFNPUSA-N	-1	0	315.337	0.704	20	30		DCEDRM
C=CC[C@@H](NC(=O)CNS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC001116906519	753260554	/nfs/dbraw/zinc/26/05/54/753260554.db2.gz	LRUYAWXNMIESEL-MRVPVSSYSA-N	-1	0	318.376	0.172	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2C#N)c1[O-]	ZINC001062477153	754759091	/nfs/dbraw/zinc/75/90/91/754759091.db2.gz	CNCZBDQJVSKZHZ-RYUDHWBXSA-N	-1	0	324.344	0.794	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)c2ccc(C#N)nc2)c1[O-]	ZINC001113551713	762380926	/nfs/dbraw/zinc/38/09/26/762380926.db2.gz	NFKZGSDZWYEGBQ-SECBINFHSA-N	-1	0	314.349	0.945	20	30		DCEDRM
C=CCCC(=O)N1CCO[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001064954994	755602209	/nfs/dbraw/zinc/60/22/09/755602209.db2.gz	AJEXBEUFSOZEPZ-LLVKDONJSA-N	-1	0	322.365	0.347	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2ccc(C#N)nc2)c1[O-]	ZINC001097803486	755749346	/nfs/dbraw/zinc/74/93/46/755749346.db2.gz	HKFQVCIQTMCKMH-MRVPVSSYSA-N	-1	0	300.322	0.921	20	30		DCEDRM
C#CCC1(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CCCCC1	ZINC000820356388	758138484	/nfs/dbraw/zinc/13/84/84/758138484.db2.gz	GOZIAPRLDIOGRN-UHFFFAOYSA-N	-1	0	317.393	0.984	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC001066475425	759975288	/nfs/dbraw/zinc/97/52/88/759975288.db2.gz	OPSNWDDVNCEKIG-GXSJLCMTSA-N	-1	0	319.365	0.694	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nccc(S(C)(=O)=O)n1	ZINC001169962576	760941229	/nfs/dbraw/zinc/94/12/29/760941229.db2.gz	UHXCICFMIWIDHH-UHFFFAOYSA-N	-1	0	322.306	0.306	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1ncc(S(C)(=O)=O)cn1	ZINC001169970791	761144042	/nfs/dbraw/zinc/14/40/42/761144042.db2.gz	LPHQLQRFOPMACE-UHFFFAOYSA-N	-1	0	322.306	0.306	20	30		DCEDRM
C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)CN1Cc1n[nH]c(=O)[n-]1	ZINC001132045551	764221442	/nfs/dbraw/zinc/22/14/42/764221442.db2.gz	GRTFEKYWZXYMKB-CMPLNLGQSA-N	-1	0	303.366	0.393	20	30		DCEDRM
C[C@@H](CCCNc1ccc(C#N)nn1)NC(=O)c1cn[nH]n1	ZINC001115115064	765594659	/nfs/dbraw/zinc/59/46/59/765594659.db2.gz	ZZSJUXXVELIKSK-VIFPVBQESA-N	-1	0	300.326	0.477	20	30		DCEDRM
COCCCn1nccc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001116957376	765933133	/nfs/dbraw/zinc/93/31/33/765933133.db2.gz	ZALGUALDIOYFGF-UHFFFAOYSA-N	-1	0	308.367	0.351	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1	ZINC001117986434	766187965	/nfs/dbraw/zinc/18/79/65/766187965.db2.gz	PMCOMRYRSNGHCK-GFCCVEGCSA-N	-1	0	312.366	0.551	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)NCc1nc(C)c(C(=O)[O-])s1	ZINC001119644482	766759777	/nfs/dbraw/zinc/75/97/77/766759777.db2.gz	KUFZRMCNTONMMK-JTQLQIEISA-N	-1	0	307.375	0.864	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnn1C1CCOCC1	ZINC001120905663	767308234	/nfs/dbraw/zinc/30/82/34/767308234.db2.gz	VPPGBEGCGWREJD-JTQLQIEISA-N	-1	0	308.338	0.795	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCOC(C)(C)C	ZINC001121663244	767615874	/nfs/dbraw/zinc/61/58/74/767615874.db2.gz	OOHHDRUACFPSBK-UHFFFAOYSA-N	-1	0	320.397	0.939	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cc2n(n1)CCCC2=O	ZINC001122533076	767826688	/nfs/dbraw/zinc/82/66/88/767826688.db2.gz	HOERMCGWLWWJLU-SNVBAGLBSA-N	-1	0	300.318	0.804	20	30		DCEDRM
N#Cc1ccc(F)c(F)c1[N-]C(=O)c1nccnc1C(N)=O	ZINC001147757064	767833080	/nfs/dbraw/zinc/83/30/80/767833080.db2.gz	BHPMTXYLOCPNFJ-UHFFFAOYSA-N	-1	0	303.228	0.978	20	30		DCEDRM
COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCC#N)cc1	ZINC001143201269	768694759	/nfs/dbraw/zinc/69/47/59/768694759.db2.gz	SBXOUBCHHQPIHB-UHFFFAOYSA-N	-1	0	311.319	0.974	20	30		DCEDRM
CCOC(=O)[C@H](C#N)NC(=O)c1c[n-]c2cccnc2c1=O	ZINC001153862549	769972024	/nfs/dbraw/zinc/97/20/24/769972024.db2.gz	YRHAFWVCWTUXQT-JTQLQIEISA-N	-1	0	300.274	0.108	20	30		DCEDRM
N#Cc1c(N)nc(=NC2CC2)n(-c2csc(C(=O)[O-])c2)c1N	ZINC001176436690	770100633	/nfs/dbraw/zinc/10/06/33/770100633.db2.gz	YHBGYOCWBLWNMS-UHFFFAOYSA-N	-1	0	316.346	0.731	20	30		DCEDRM
N#Cc1cnnc(-c2ccccc2)c1NC(=O)Cc1nnn[n-]1	ZINC001176840260	770186557	/nfs/dbraw/zinc/18/65/57/770186557.db2.gz	NFDJAEYBFBOZIY-UHFFFAOYSA-N	-1	0	306.289	0.710	20	30		DCEDRM
O=C(Cc1nnn[n-]1)NC1=C(Cl)C(=O)c2ccccc2C1=O	ZINC001176845803	770215850	/nfs/dbraw/zinc/21/58/50/770215850.db2.gz	RWNMNAOUUDIIIE-UHFFFAOYSA-N	-1	0	317.692	0.388	20	30		DCEDRM
C=C[C@@H]1C[C@@]1(NC(=O)c1ccn(C)c1CC(=O)[O-])C(=O)OCC	ZINC001177369430	770418499	/nfs/dbraw/zinc/41/84/99/770418499.db2.gz	QBGQYIRRZQKURU-HWPZZCPQSA-N	-1	0	320.345	0.890	20	30		DCEDRM
N#Cc1ccc(OCC(=O)n2[n-]c3ccnc(=O)c-3c2N)cc1	ZINC001182920343	771571415	/nfs/dbraw/zinc/57/14/15/771571415.db2.gz	NHUWAPIDKVASMU-UHFFFAOYSA-N	-1	0	309.285	0.849	20	30		DCEDRM
CCCC#CC(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001184274219	771762660	/nfs/dbraw/zinc/76/26/60/771762660.db2.gz	KILQLUOHALOQJI-NSHDSACASA-N	-1	0	324.339	0.333	20	30		DCEDRM
C#C[C@@](C)(CC)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001185623539	771942228	/nfs/dbraw/zinc/94/22/28/771942228.db2.gz	JMGIGHBPIHMPKF-ZDUSSCGKSA-N	-1	0	305.363	0.947	20	30		DCEDRM
Cc1ccnnc1N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001163065075	772452624	/nfs/dbraw/zinc/45/26/24/772452624.db2.gz	BUSGTSFIRBLBID-SECBINFHSA-N	-1	0	322.327	0.305	20	30		DCEDRM
N#Cc1cncc(Br)c1N[C@@H]1SC(=O)[N-]C1=O	ZINC001163672682	772556403	/nfs/dbraw/zinc/55/64/03/772556403.db2.gz	PKIXCSUEZDLHAD-MRVPVSSYSA-N	-1	0	313.136	0.859	20	30		DCEDRM
N#C[C@@H]1COCCN1C(=O)c1nc(Br)ccc1[O-]	ZINC001191742394	772819380	/nfs/dbraw/zinc/81/93/80/772819380.db2.gz	OERBWKZYMIPGFP-SSDOTTSWSA-N	-1	0	312.123	0.914	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1c(C#N)cnn1-c1ncccn1	ZINC001193105329	773005830	/nfs/dbraw/zinc/00/58/30/773005830.db2.gz	UTSTZJFFRXRVOB-MRVPVSSYSA-N	-1	0	303.307	0.188	20	30		DCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC001193207198	773024573	/nfs/dbraw/zinc/02/45/73/773024573.db2.gz	YYQIUKHHLCRMAP-JTQLQIEISA-N	-1	0	307.335	0.522	20	30		DCEDRM
CCc1c(NC(=O)c2ccc(C#N)cc2[O-])c(C(N)=O)nn1C	ZINC001195741286	773474420	/nfs/dbraw/zinc/47/44/20/773474420.db2.gz	RQAYMRGDNDNDGO-UHFFFAOYSA-N	-1	0	313.317	0.911	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001211420498	773801329	/nfs/dbraw/zinc/80/13/29/773801329.db2.gz	IBMCJHJWJGIVMM-GHMZBOCLSA-N	-1	0	309.370	0.040	20	30		DCEDRM
C=C[C@H](CC)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC	ZINC001213322959	773834193	/nfs/dbraw/zinc/83/41/93/773834193.db2.gz	XJTSYMCXFJGZKB-IJLUTSLNSA-N	-1	0	323.397	0.428	20	30		DCEDRM
COc1ncnc([N-]S(=O)(=O)c2cnc(C)n2C)c1C#N	ZINC001198364592	773906788	/nfs/dbraw/zinc/90/67/88/773906788.db2.gz	WUZHDPKTYXVNFD-UHFFFAOYSA-N	-1	0	308.323	0.200	20	30		DCEDRM
O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001110539125	774164483	/nfs/dbraw/zinc/16/44/83/774164483.db2.gz	GCMVVTPMCNZJTH-UTUOFQBUSA-N	-1	0	301.350	0.145	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cc(C#N)ccn1	ZINC001223369101	775484394	/nfs/dbraw/zinc/48/43/94/775484394.db2.gz	HGBOBLSAMBIZDD-ZDUSSCGKSA-N	-1	0	312.347	0.929	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](OCCS(=O)(=O)[O-])C[C@H]1C#N	ZINC001224571338	775585944	/nfs/dbraw/zinc/58/59/44/775585944.db2.gz	JJKKQXUXYRJFKZ-VHSXEESVSA-N	-1	0	320.367	0.792	20	30		DCEDRM
C=CCCOCC(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001225626297	775701307	/nfs/dbraw/zinc/70/13/07/775701307.db2.gz	XWEBMCLGIOUMHI-UHFFFAOYSA-N	-1	0	323.397	0.431	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc([N+](=O)[O-])cn1	ZINC001225631768	775702084	/nfs/dbraw/zinc/70/20/84/775702084.db2.gz	HXBZLUTZWSGVLK-SNVBAGLBSA-N	-1	0	318.307	0.828	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc2n[nH]nc21	ZINC001225990753	775751313	/nfs/dbraw/zinc/75/13/13/775751313.db2.gz	IZESFFPRBHUEEP-VIFPVBQESA-N	-1	0	313.335	0.796	20	30		DCEDRM
COC(=O)CN1C[C@@H](Oc2[n-]c(=O)cc(C)c2C#N)CC1=O	ZINC001226222359	775784630	/nfs/dbraw/zinc/78/46/30/775784630.db2.gz	YTDWAKOPQDKSDM-VIFPVBQESA-N	-1	0	305.290	0.120	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2nc(=O)[n-]c(=O)[nH]2)C1	ZINC001227568975	775985657	/nfs/dbraw/zinc/98/56/57/775985657.db2.gz	RLBNPMLZHQPQEO-YUMQZZPRSA-N	-1	0	323.309	0.421	20	30		DCEDRM
C#C[C@@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])C(=O)OCC	ZINC001228610623	776103366	/nfs/dbraw/zinc/10/33/66/776103366.db2.gz	WXNOPOIMSZIKRP-MRVPVSSYSA-N	-1	0	307.262	0.912	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C)nc(OC)n1	ZINC001229826455	776228644	/nfs/dbraw/zinc/22/86/44/776228644.db2.gz	SVMHCKQSUPAUDU-JTQLQIEISA-N	-1	0	318.351	0.631	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC001601071215	1168581218	/nfs/dbraw/zinc/58/12/18/1168581218.db2.gz	WIZHENOALBCCPR-HTQZYQBOSA-N	-1	0	321.255	0.270	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1	ZINC001601062850	1168579677	/nfs/dbraw/zinc/57/96/77/1168579677.db2.gz	KLQJUTXHJMWXMR-UHFFFAOYSA-N	-1	0	302.258	0.807	20	30		DCEDRM
N#Cc1csc(CNS(=O)(=O)c2occc2C(=O)[O-])n1	ZINC001601132365	1168593092	/nfs/dbraw/zinc/59/30/92/1168593092.db2.gz	SXSNUKOYBMVDJI-UHFFFAOYSA-N	-1	0	313.316	0.784	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC001602682766	1169158436	/nfs/dbraw/zinc/15/84/36/1169158436.db2.gz	FPGJOQKREDYSBZ-MRVPVSSYSA-N	-1	0	310.331	0.539	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc2c1OCCC2)C(=O)[O-]	ZINC001602698415	1169164099	/nfs/dbraw/zinc/16/40/99/1169164099.db2.gz	GLIHMLQEQGYJCK-NSHDSACASA-N	-1	0	309.343	0.766	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCC1CCN(S(C)(=O)=O)CC1	ZINC001602781880	1169183042	/nfs/dbraw/zinc/18/30/42/1169183042.db2.gz	FLJSOLHCRYYHKT-UHFFFAOYSA-N	-1	0	318.395	0.195	20	30		DCEDRM
C=CC[C@H](Sc1nc(O)cc(=O)n1CCOC)C(=O)[O-]	ZINC001602849825	1169192249	/nfs/dbraw/zinc/19/22/49/1169192249.db2.gz	REVRHHXYMLGTLN-QMMMGPOBSA-N	-1	0	300.336	0.717	20	30		DCEDRM
CC(C)(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001603302863	1169290007	/nfs/dbraw/zinc/29/00/07/1169290007.db2.gz	NLGURGPUXWJDEN-BMIGLBTASA-N	-1	0	309.366	0.754	20	30		DCEDRM
C=CCC1(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CCC1	ZINC001269844039	940786619	/nfs/dbraw/zinc/78/66/19/940786619.db2.gz	UYYYMYNINHBCQB-UHFFFAOYSA-N	-1	0	305.382	0.899	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c(C#N)c1	ZINC001600476388	970814468	/nfs/dbraw/zinc/81/44/68/970814468.db2.gz	CWQHGOMJBQNTRE-NSHDSACASA-N	-1	0	310.331	0.341	20	30		DCEDRM
COC(=O)c1cccc(COC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001610981371	970824436	/nfs/dbraw/zinc/82/44/36/970824436.db2.gz	AIRRYQADIJWTOX-AWEZNQCLSA-N	-1	0	306.274	0.916	20	30		DCEDRM
C#CCN1CC2(CN(C(=O)c3cccc(F)c3[O-])C2)OCC1=O	ZINC001272232724	941855018	/nfs/dbraw/zinc/85/50/18/941855018.db2.gz	ALAZSUYDHMQKPU-UHFFFAOYSA-N	-1	0	318.304	0.218	20	30		DCEDRM
CCOc1ncccc1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001412870041	942117224	/nfs/dbraw/zinc/11/72/24/942117224.db2.gz	PUGNAFFVUDQBOF-UHFFFAOYSA-N	-1	0	301.306	0.351	20	30		DCEDRM
COC(=O)[C@@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)CC(C)C	ZINC001412869556	942117332	/nfs/dbraw/zinc/11/73/32/942117332.db2.gz	LNEVOPVUZNSCAS-SECBINFHSA-N	-1	0	308.338	0.192	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC2(CO)CC3(CCC3)C2)c(C#N)c1=O	ZINC001412884732	942123411	/nfs/dbraw/zinc/12/34/11/942123411.db2.gz	OVEUXCKUGNGUTK-UHFFFAOYSA-N	-1	0	304.350	0.300	20	30		DCEDRM
CC(C)[C@@H](CO)[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(C)C	ZINC001412894711	942127945	/nfs/dbraw/zinc/12/79/45/942127945.db2.gz	JWWKNNPKHQDMSX-VXGBXAGGSA-N	-1	0	308.382	0.646	20	30		DCEDRM
CC(C)[C@H](CO)[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(C)C	ZINC001412894707	942128495	/nfs/dbraw/zinc/12/84/95/942128495.db2.gz	JWWKNNPKHQDMSX-RYUDHWBXSA-N	-1	0	308.382	0.646	20	30		DCEDRM
CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccn1	ZINC001413148270	942530533	/nfs/dbraw/zinc/53/05/33/942530533.db2.gz	YGZCPRLJFXQPIK-LLVKDONJSA-N	-1	0	313.317	0.483	20	30		DCEDRM
C[C@@H]1CC[C@@H](CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001413308602	942619112	/nfs/dbraw/zinc/61/91/12/942619112.db2.gz	KALSREHSSJFEBV-GHMZBOCLSA-N	-1	0	304.350	0.763	20	30		DCEDRM
CCc1ncsc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413313825	942623880	/nfs/dbraw/zinc/62/38/80/942623880.db2.gz	ZFMKIWFJEYWPDV-UHFFFAOYSA-N	-1	0	319.346	0.269	20	30		DCEDRM
N#Cc1cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)ccn1	ZINC001611295986	970981176	/nfs/dbraw/zinc/98/11/76/970981176.db2.gz	ZWNHKKGIAWYAHF-UHFFFAOYSA-N	-1	0	301.262	0.029	20	30		DCEDRM
C=CC[C@H](NC(=O)c1cc(S(C)(=O)=O)oc1C)C(=O)[O-]	ZINC001329655078	944266487	/nfs/dbraw/zinc/26/64/87/944266487.db2.gz	ASNYGIMWWLXSHA-VIFPVBQESA-N	-1	0	301.320	0.751	20	30		DCEDRM
C=CCCC(=O)N[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC001316972698	944698580	/nfs/dbraw/zinc/69/85/80/944698580.db2.gz	AFYFJIWWYUSAFA-GFCCVEGCSA-N	-1	0	315.377	0.679	20	30		DCEDRM
C=C(C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001277859716	945014645	/nfs/dbraw/zinc/01/46/45/945014645.db2.gz	XGIVNLAQCPVCCL-GFCCVEGCSA-N	-1	0	307.398	0.545	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001486951345	945423090	/nfs/dbraw/zinc/42/30/90/945423090.db2.gz	JIEWQWJFQSFZDZ-QMMMGPOBSA-N	-1	0	323.353	0.072	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NN=c2[n-]ncc(N)c2Cl)cc1	ZINC001319380177	945574615	/nfs/dbraw/zinc/57/46/15/945574615.db2.gz	MTRIELWMVVZJFB-UHFFFAOYSA-N	-1	0	324.753	0.889	20	30		DCEDRM
N#C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-])C(N)=O	ZINC001251438840	945754364	/nfs/dbraw/zinc/75/43/64/945754364.db2.gz	FRHOXWOPRXTFSB-ZCFIWIBFSA-N	-1	0	324.145	0.355	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@@H](C)CCNCC#N)cc1=O	ZINC001320484876	945896024	/nfs/dbraw/zinc/89/60/24/945896024.db2.gz	BAWNPGCODREOQO-LBPRGKRZSA-N	-1	0	307.398	0.383	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1n[nH]c(=O)[n-]1	ZINC001320551863	945923670	/nfs/dbraw/zinc/92/36/70/945923670.db2.gz	APMPUQQTOXKWKM-AXFHLTTASA-N	-1	0	309.370	0.086	20	30		DCEDRM
C=CCOC[C@@H](O)CNc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001252478478	945945732	/nfs/dbraw/zinc/94/57/32/945945732.db2.gz	QBETUXHWMJKQEK-JTQLQIEISA-N	-1	0	312.347	0.094	20	30		DCEDRM
C=C[C@@](C)(O)CNc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1	ZINC001252569232	945965086	/nfs/dbraw/zinc/96/50/86/945965086.db2.gz	QXEMUGOEFOIJLQ-CQSZACIVSA-N	-1	0	312.391	0.654	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)[O-]	ZINC001321657087	946416825	/nfs/dbraw/zinc/41/68/25/946416825.db2.gz	CERCVXCXEGHNCO-LLVKDONJSA-N	-1	0	312.347	0.234	20	30		DCEDRM
N#CCCCS(=O)(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-]	ZINC001255242790	946481041	/nfs/dbraw/zinc/48/10/41/946481041.db2.gz	JREDJWQNSRBLLS-SECBINFHSA-N	-1	0	320.758	0.213	20	30		DCEDRM
C#C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ccccc1	ZINC001602673497	971240525	/nfs/dbraw/zinc/24/05/25/971240525.db2.gz	VDBXGKUPEUUPEL-ZIAGYGMSSA-N	-1	0	314.341	0.800	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2c(c1)ncn2C	ZINC001602678856	971257069	/nfs/dbraw/zinc/25/70/69/971257069.db2.gz	IBCULJXUQAUYAY-UHFFFAOYSA-N	-1	0	314.301	0.058	20	30		DCEDRM
C=CC[C@@H](NC(=O)Cn1nnc(-c2ccc(C)cc2)n1)C(=O)[O-]	ZINC001256550660	946642282	/nfs/dbraw/zinc/64/22/82/946642282.db2.gz	JXDKJUFQKPPJBY-GFCCVEGCSA-N	-1	0	315.333	0.794	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnn(C(C)(C)C)c1	ZINC001602679229	971259343	/nfs/dbraw/zinc/25/93/43/971259343.db2.gz	MHUMVIWPCVHQDD-UHFFFAOYSA-N	-1	0	306.322	0.123	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCn1cnc2sccc2c1=O	ZINC001602682070	971264504	/nfs/dbraw/zinc/26/45/04/971264504.db2.gz	FHFGEJXPAWRZJX-UHFFFAOYSA-N	-1	0	319.342	0.395	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(C(=O)NCC)cc1	ZINC001602685955	971284174	/nfs/dbraw/zinc/28/41/74/971284174.db2.gz	LJJUTHAAZFVWFG-UHFFFAOYSA-N	-1	0	317.345	0.666	20	30		DCEDRM
COC(=O)c1nccnc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC001259118023	946915731	/nfs/dbraw/zinc/91/57/31/946915731.db2.gz	WEFPRZGPPKUAHX-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC001259255873	946932242	/nfs/dbraw/zinc/93/22/42/946932242.db2.gz	KNBWNAAXURIUGT-LLVKDONJSA-N	-1	0	300.311	0.700	20	30		DCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1C#N	ZINC001259378059	946951858	/nfs/dbraw/zinc/95/18/58/946951858.db2.gz	HORXZOTUASLWID-UHFFFAOYSA-N	-1	0	319.302	0.939	20	30		DCEDRM
C=CCS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001259931126	947025922	/nfs/dbraw/zinc/02/59/22/947025922.db2.gz	TUAJNWWGZPPTGP-UHFFFAOYSA-N	-1	0	302.333	0.046	20	30		DCEDRM
C=CCn1cnc2nc([N-]S(=O)(=O)C(F)F)[nH]c(=O)c21	ZINC001259964662	947039988	/nfs/dbraw/zinc/03/99/88/947039988.db2.gz	BSHYESJKPDSFLY-UHFFFAOYSA-N	-1	0	305.266	0.682	20	30		DCEDRM
C#CCNS(=O)(=O)c1ccc(-c2nc(CC(=O)[O-])no2)cc1	ZINC001602702919	971333258	/nfs/dbraw/zinc/33/32/58/971333258.db2.gz	XWURGTUCRAHXKP-UHFFFAOYSA-N	-1	0	321.314	0.275	20	30		DCEDRM
CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cnc(C#N)cn2)s1	ZINC001260699501	947139249	/nfs/dbraw/zinc/13/92/49/947139249.db2.gz	FYOFAIAORKXQLQ-UHFFFAOYSA-N	-1	0	324.347	0.564	20	30		DCEDRM
CC[C@@H](NN=Cc1ccc(OC)c(OCC(N)=O)c1)C(=O)[O-]	ZINC001324143455	947328251	/nfs/dbraw/zinc/32/82/51/947328251.db2.gz	QUHQWMSFLUVEHU-SNVBAGLBSA-N	-1	0	309.322	0.346	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC001602722961	971391354	/nfs/dbraw/zinc/39/13/54/971391354.db2.gz	CSHDIGQFLIRKLB-KXUCPTDWSA-N	-1	0	312.322	0.431	20	30		DCEDRM
C=CCNc1nnc(S[C@@H]2CCN(CC(=O)[O-])C2=O)s1	ZINC001602723009	971392080	/nfs/dbraw/zinc/39/20/80/971392080.db2.gz	HOBKAIMZZJLFLB-SSDOTTSWSA-N	-1	0	314.392	0.914	20	30		DCEDRM
C=CCN1C(=O)N=NC1S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001602729967	971403953	/nfs/dbraw/zinc/40/39/53/971403953.db2.gz	NSDRMABHQDTNFP-UHFFFAOYSA-N	-1	0	323.330	0.842	20	30		DCEDRM
C=CCn1c([C@H](O)COC)nnc1N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC001602729653	971399643	/nfs/dbraw/zinc/39/96/43/971399643.db2.gz	ADINRIRUTILGQY-GRYCIOLGSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC001602729692	971400721	/nfs/dbraw/zinc/40/07/21/971400721.db2.gz	BEIAAJNNEQPXAT-SRVKXCTJSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C=CCn1cnnc1Sc1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001573351223	947611230	/nfs/dbraw/zinc/61/12/30/947611230.db2.gz	OOVMTFKZZKWULC-UHFFFAOYSA-N	-1	0	312.322	0.457	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])nn1	ZINC001602731172	971412315	/nfs/dbraw/zinc/41/23/15/971412315.db2.gz	WPQAVWIDPFGFDT-LBPRGKRZSA-N	-1	0	316.317	0.595	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cn(C[C@@H]2CCOC2)nn1	ZINC001263296645	947828673	/nfs/dbraw/zinc/82/86/73/947828673.db2.gz	LVFZUXXTKPEJBL-NWDGAFQWSA-N	-1	0	317.349	0.259	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(F)c(N2CCOCC2)c(F)c1	ZINC001263311538	947830619	/nfs/dbraw/zinc/83/06/19/947830619.db2.gz	LCMJWIRZCSEIDM-JTQLQIEISA-N	-1	0	323.299	0.870	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1	ZINC001326800743	948282728	/nfs/dbraw/zinc/28/27/28/948282728.db2.gz	OPXMNSPHIMOVMF-VIFPVBQESA-N	-1	0	306.322	0.344	20	30		DCEDRM
C#CCCCCC(=O)NCC1(NCc2nc(=O)n(C)[nH]2)CCC1	ZINC001326811228	948285872	/nfs/dbraw/zinc/28/58/72/948285872.db2.gz	WBAGPDFOFBITFM-UHFFFAOYSA-N	-1	0	319.409	0.431	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C2(C)CC(=C)C2)n1	ZINC001264027953	948839982	/nfs/dbraw/zinc/83/99/82/948839982.db2.gz	CWYQETFJRXIXQQ-UHFFFAOYSA-N	-1	0	300.362	0.878	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC(O)(c2ccc(F)cc2)C1	ZINC001602779446	971516041	/nfs/dbraw/zinc/51/60/41/971516041.db2.gz	ZBCDPHWWTLOEGJ-CQSZACIVSA-N	-1	0	306.293	0.860	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CC2(CO1)CCOCC2	ZINC001602780471	971518828	/nfs/dbraw/zinc/51/88/28/971518828.db2.gz	HGLLRHLWBORNTC-SMDDNHRTSA-N	-1	0	310.350	0.693	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(-c2nn[nH]n2)ccc1F	ZINC001602781685	971525809	/nfs/dbraw/zinc/52/58/09/971525809.db2.gz	GBOXRRPYLJOVCA-ZDUSSCGKSA-N	-1	0	318.268	0.949	20	30		DCEDRM
CC(C)[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCCO1	ZINC001574099535	949178299	/nfs/dbraw/zinc/17/82/99/949178299.db2.gz	MCYUBAWQJZFJPD-NSHDSACASA-N	-1	0	314.353	0.780	20	30		DCEDRM
COC(=O)[C@H](NCc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1	ZINC001364693558	949766629	/nfs/dbraw/zinc/76/66/29/949766629.db2.gz	QMZQKZQXESFGOK-GFCCVEGCSA-N	-1	0	301.306	0.348	20	30		DCEDRM
C=CCCC(=O)N(C)C[C@@H]1CCN1C(=O)c1cnc[nH]c1=O	ZINC001489724038	950025117	/nfs/dbraw/zinc/02/51/17/950025117.db2.gz	LUODFQBDBKYCDM-NSHDSACASA-N	-1	0	304.350	0.821	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@H](C(C)(C)C)[C@H](O)C2)c(C#N)c1=O	ZINC001365227049	950769239	/nfs/dbraw/zinc/76/92/39/950769239.db2.gz	ZWONLRLIBGVCQC-WDEREUQCSA-N	-1	0	306.366	0.179	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)C1	ZINC001365281367	950871418	/nfs/dbraw/zinc/87/14/18/950871418.db2.gz	HEELZNYJLHKMBB-IINYFYTJSA-N	-1	0	320.328	0.408	20	30		DCEDRM
O=C(C#CC1CC1)N[C@@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001490590540	950913345	/nfs/dbraw/zinc/91/33/45/950913345.db2.gz	OOWNQTMIYXAHKI-GFCCVEGCSA-N	-1	0	315.377	0.394	20	30		DCEDRM
CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H]21	ZINC001591006098	951041509	/nfs/dbraw/zinc/04/15/09/951041509.db2.gz	SSKIXGNHGHOVEL-HMDURAKOSA-N	-1	0	308.334	0.649	20	30		DCEDRM
CCS(=O)(CC)=NS(=O)(=O)[N-]CC1(C#N)CCOCC1	ZINC001365469046	951161285	/nfs/dbraw/zinc/16/12/85/951161285.db2.gz	FJMKIABHGGPUEQ-UHFFFAOYSA-N	-1	0	323.440	0.649	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001592343470	951325539	/nfs/dbraw/zinc/32/55/39/951325539.db2.gz	VQCXVKRKGKRNME-UHFFFAOYSA-N	-1	0	315.289	0.885	20	30		DCEDRM
COC(=O)c1coc(CNS(=O)(=O)c2ccc(C#N)cn2)n1	ZINC001365719018	951472265	/nfs/dbraw/zinc/47/22/65/951472265.db2.gz	ZCAQLBKVFJEUTK-UHFFFAOYSA-N	-1	0	322.302	0.206	20	30		DCEDRM
NC(=O)C[C@@H]1C[C@@H]2CN(C(=O)CCC(=O)C3=CC=C[CH]3)C[C@@H]2O1	ZINC001274660932	951772626	/nfs/dbraw/zinc/77/26/26/951772626.db2.gz	DJAPYLHZIOLQPK-IPYPFGDCSA-N	-1	0	317.365	0.527	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)/C=C(\C)CN1CCOCC1)C(=O)[O-]	ZINC001335001421	952435720	/nfs/dbraw/zinc/43/57/20/952435720.db2.gz	DKVBQAPUTCOPNP-OFFHKIPUSA-N	-1	0	316.785	0.977	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2cc(F)ccc2F)c(=O)[n-]c1=O	ZINC001411786695	952450484	/nfs/dbraw/zinc/45/04/84/952450484.db2.gz	MIGYICMVHRQTID-UHFFFAOYSA-N	-1	0	320.255	0.415	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)Cc1ccncc1	ZINC001412032813	952611744	/nfs/dbraw/zinc/61/17/44/952611744.db2.gz	JSIJMUCKNQNDHC-CYBMUJFWSA-N	-1	0	312.329	0.696	20	30		DCEDRM
N#CC1(NC(=O)[C@@H]2CC23CN(C(=O)c2cc(=O)[nH][n-]2)C3)CCC1	ZINC001276022163	952626941	/nfs/dbraw/zinc/62/69/41/952626941.db2.gz	DCTPALMVJAKJFA-VIFPVBQESA-N	-1	0	315.333	0.140	20	30		DCEDRM
Cc1cccc(OCCNc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001336454413	952701422	/nfs/dbraw/zinc/70/14/22/952701422.db2.gz	HQQRICJGBFYZHI-UHFFFAOYSA-N	-1	0	300.318	0.745	20	30		DCEDRM
C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)CS2	ZINC001412293803	952736730	/nfs/dbraw/zinc/73/67/30/952736730.db2.gz	UBAPENWVCKWPGW-NOZJJQNGSA-N	-1	0	316.346	0.546	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C	ZINC001412442746	952804383	/nfs/dbraw/zinc/80/43/83/952804383.db2.gz	BSCGAJKOJMOKEC-PSASIEDQSA-N	-1	0	309.347	0.273	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC(C2CC2)C2CC2)c(=O)[n-]c1=O	ZINC001412620380	952944484	/nfs/dbraw/zinc/94/44/84/952944484.db2.gz	MXWFPLGHAQAXBB-UHFFFAOYSA-N	-1	0	302.334	0.373	20	30		DCEDRM
N#Cc1cn(CC(=O)NC/C=C\c2ccccc2)c(=O)[n-]c1=O	ZINC001412744965	953039635	/nfs/dbraw/zinc/03/96/35/953039635.db2.gz	PWVMTJDXKJFOCP-DAXSKMNVSA-N	-1	0	310.313	0.650	20	30		DCEDRM
C=CC[C@@H](NC(=O)CNC(=O)c1ccc(OCC)cc1)C(=O)[O-]	ZINC001339861818	953125417	/nfs/dbraw/zinc/12/54/17/953125417.db2.gz	KHXRMEYSVBCQOE-CYBMUJFWSA-N	-1	0	320.345	0.961	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1ccc(-n2cnnn2)c(C)c1)C(=O)[O-]	ZINC001339865366	953126310	/nfs/dbraw/zinc/12/63/10/953126310.db2.gz	VHZWNYYDTGSKCA-LLVKDONJSA-N	-1	0	301.306	0.730	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC=C(COC)CC1	ZINC001340431594	953169159	/nfs/dbraw/zinc/16/91/59/953169159.db2.gz	UJLFTALVIQROQK-UHFFFAOYSA-N	-1	0	316.365	0.471	20	30		DCEDRM
CO[C@@H]1CCn2cc(C([O-])=C(C#N)C(=O)N3CCCC3)nc2C1	ZINC001341953249	953260829	/nfs/dbraw/zinc/26/08/29/953260829.db2.gz	CIGHIVGEOSCVTE-VXGBXAGGSA-N	-1	0	316.361	0.789	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(F)(F)CC1	ZINC001342240727	953278225	/nfs/dbraw/zinc/27/82/25/953278225.db2.gz	FGRHDWLZGLIENM-UHFFFAOYSA-N	-1	0	310.308	0.924	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C[C@H]1CCOC1	ZINC001342241451	953278854	/nfs/dbraw/zinc/27/88/54/953278854.db2.gz	PFYBLVGMJXEKJE-SNVBAGLBSA-N	-1	0	304.354	0.161	20	30		DCEDRM
C#CCN(CC)c1nnc(-c2cc(=O)[nH][n-]2)n1CCCOCC	ZINC001342382679	953287202	/nfs/dbraw/zinc/28/72/02/953287202.db2.gz	ZGOJJFSOALQZLA-UHFFFAOYSA-N	-1	0	318.381	0.388	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(CNC(N)=O)cc1	ZINC001342522583	953293505	/nfs/dbraw/zinc/29/35/05/953293505.db2.gz	WLCAKNCRFPRTBB-ZDUSSCGKSA-N	-1	0	314.345	0.800	20	30		DCEDRM
CC(C)(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)N1CCCC1	ZINC001602944138	971913964	/nfs/dbraw/zinc/91/39/64/971913964.db2.gz	GYQCONMPIFXJPB-OAHLLOKOSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CCO[N-]C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC001343378946	953342847	/nfs/dbraw/zinc/34/28/47/953342847.db2.gz	YOCFIXSGRIMPDE-UHFFFAOYSA-N	-1	0	300.278	0.145	20	30		DCEDRM
Cc1oc(S(C)(=O)=O)cc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001343502209	953349321	/nfs/dbraw/zinc/34/93/21/953349321.db2.gz	VIYLQLRXDYZGQZ-NSHDSACASA-N	-1	0	324.358	0.936	20	30		DCEDRM
C=CC[C@H](NC(=O)C(=O)NCCCc1ccccc1)C(=O)[O-]	ZINC001344557118	953494995	/nfs/dbraw/zinc/49/49/95/953494995.db2.gz	RFKWJIZTLFFFES-ZDUSSCGKSA-N	-1	0	304.346	0.881	20	30		DCEDRM
CC[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001589525471	955111223	/nfs/dbraw/zinc/11/12/23/955111223.db2.gz	BJTJQRFIBFGWRS-LLVKDONJSA-N	-1	0	303.318	0.515	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(F)c(C#N)c1	ZINC001593838800	955331762	/nfs/dbraw/zinc/33/17/62/955331762.db2.gz	QVLVIDVRIBTYSZ-UHFFFAOYSA-N	-1	0	308.265	0.787	20	30		DCEDRM
Cn1c(C#N)ccc1-c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1C	ZINC001594525998	955501837	/nfs/dbraw/zinc/50/18/37/955501837.db2.gz	ZYFMGIQSOYGXPV-SNVBAGLBSA-N	-1	0	314.349	0.993	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC001593913828	956001245	/nfs/dbraw/zinc/00/12/45/956001245.db2.gz	YZKBZNCANBXGFL-LBPRGKRZSA-N	-1	0	318.264	0.921	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001594587518	956013414	/nfs/dbraw/zinc/01/34/14/956013414.db2.gz	ITNXAAJZIPAURT-CHWSQXEVSA-N	-1	0	314.301	0.267	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1	ZINC001593916519	956026511	/nfs/dbraw/zinc/02/65/11/956026511.db2.gz	WONXEJGTJVKTST-SECBINFHSA-N	-1	0	301.262	0.381	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)Nc1ccn(CCC#N)n1)C(=O)[O-]	ZINC001594588800	956027082	/nfs/dbraw/zinc/02/70/82/956027082.db2.gz	BOTBMMYYQDXRQU-NSHDSACASA-N	-1	0	317.309	0.478	20	30		DCEDRM
N#CCCc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC001594610405	956202610	/nfs/dbraw/zinc/20/26/10/956202610.db2.gz	QZPAIQSYBZFTJC-AWEZNQCLSA-N	-1	0	324.358	0.665	20	30		DCEDRM
N#CCCN1CCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1	ZINC001594610459	956203646	/nfs/dbraw/zinc/20/36/46/956203646.db2.gz	ULNSDJFFNFTRTR-ZDUSSCGKSA-N	-1	0	308.382	0.728	20	30		DCEDRM
N#Cc1cc(NCCOCCOCC(=O)[O-])nc(C2CC2)n1	ZINC001594617837	956254865	/nfs/dbraw/zinc/25/48/65/956254865.db2.gz	ZDMWUVNWTPAYFS-UHFFFAOYSA-N	-1	0	306.322	0.755	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001354040312	956257594	/nfs/dbraw/zinc/25/75/94/956257594.db2.gz	BQUSDCOJIDDACX-WCQYABFASA-N	-1	0	321.381	0.717	20	30		DCEDRM
N#Cc1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c(F)c1	ZINC001594618019	956258770	/nfs/dbraw/zinc/25/87/70/956258770.db2.gz	YDRQGAIMMCZFBK-BONVTDFDSA-N	-1	0	304.277	0.871	20	30		DCEDRM
C[C@](O)(CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)[O-]	ZINC001589144736	956281813	/nfs/dbraw/zinc/28/18/13/956281813.db2.gz	WDKUOXLAYMSOCM-HNNXBMFYSA-N	-1	0	314.301	0.309	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nc1	ZINC001594623117	956295695	/nfs/dbraw/zinc/29/56/95/956295695.db2.gz	UPHQJOSPAKLVAR-QWHCGFSZSA-N	-1	0	314.345	0.934	20	30		DCEDRM
N#Cc1cccc(NC(=O)CCN2CCOC[C@H]2C(=O)[O-])c1	ZINC001594628365	956330240	/nfs/dbraw/zinc/33/02/40/956330240.db2.gz	MXCNEPJNDGPTBG-ZDUSSCGKSA-N	-1	0	303.318	0.672	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001594634885	956365433	/nfs/dbraw/zinc/36/54/33/956365433.db2.gz	CSKREOGFZDDQNN-WDEREUQCSA-N	-1	0	321.358	0.685	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O	ZINC001354454099	956396317	/nfs/dbraw/zinc/39/63/17/956396317.db2.gz	DZVDCOJLQKABAQ-JTQLQIEISA-N	-1	0	322.365	0.077	20	30		DCEDRM
C[C@@H](CC#N)N(C)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001603118557	972197688	/nfs/dbraw/zinc/19/76/88/972197688.db2.gz	CYHXLBXSVVBCKD-VIFPVBQESA-N	-1	0	302.352	0.027	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc(C#N)ccc2C)CCO1	ZINC001593977323	956676819	/nfs/dbraw/zinc/67/68/19/956676819.db2.gz	IQBAVXASQHSRMW-MRXNPFEDSA-N	-1	0	318.329	0.809	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2cccc3c[nH]nc32)c(=O)[n-]c1=O	ZINC001290523542	956851705	/nfs/dbraw/zinc/85/17/05/956851705.db2.gz	LKSCCZYMXIPTSN-UHFFFAOYSA-N	-1	0	324.300	0.726	20	30		DCEDRM
C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-]	ZINC001356841576	957091968	/nfs/dbraw/zinc/09/19/68/957091968.db2.gz	WJTIMSLCZQWYCQ-RYUDHWBXSA-N	-1	0	316.361	0.653	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001326239835	957318407	/nfs/dbraw/zinc/31/84/07/957318407.db2.gz	JYRIEJMBKVROAY-WOPDTQHZSA-N	-1	0	310.350	0.159	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H](O)c2ccccc2Cl)c(C#N)c1=O	ZINC001413879725	957500965	/nfs/dbraw/zinc/50/09/65/957500965.db2.gz	MEOKKFYSWHPMBB-NSHDSACASA-N	-1	0	320.736	0.744	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCc3ccc(O)cc3CC2)c(C#N)c1=O	ZINC001413886025	957688959	/nfs/dbraw/zinc/68/89/59/957688959.db2.gz	NHDBURZBHYRRMY-UHFFFAOYSA-N	-1	0	312.329	0.256	20	30		DCEDRM
Cc1cc(C(=O)NCC2(C(=O)[O-])CCOCC2)ncc1C#N	ZINC001594279205	957730879	/nfs/dbraw/zinc/73/08/79/957730879.db2.gz	ZYYZSNOHJXCCLC-UHFFFAOYSA-N	-1	0	303.318	0.873	20	30		DCEDRM
Cc1cccc(O)c1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001295509210	957736816	/nfs/dbraw/zinc/73/68/16/957736816.db2.gz	NHBPRDVIORVXLY-UHFFFAOYSA-N	-1	0	300.274	0.473	20	30		DCEDRM
C[C@@H](CCc1ccco1)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001463726131	1013159057	/nfs/dbraw/zinc/15/90/57/1013159057.db2.gz	YDGNVWDXJPRNKO-JTQLQIEISA-N	-1	0	316.317	0.551	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001588385192	957968316	/nfs/dbraw/zinc/96/83/16/957968316.db2.gz	ABINPVOVIMRPBU-JTQLQIEISA-N	-1	0	301.302	0.733	20	30		DCEDRM
Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC001594309012	957995787	/nfs/dbraw/zinc/99/57/87/957995787.db2.gz	KGFNXSHEUKZIHY-UHFFFAOYSA-N	-1	0	307.281	0.877	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC001588388810	958001134	/nfs/dbraw/zinc/00/11/34/958001134.db2.gz	HAXMZYNIHSWEJN-XJKSGUPXSA-N	-1	0	304.346	0.712	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001296581312	958018337	/nfs/dbraw/zinc/01/83/37/958018337.db2.gz	UCDNWLOIHOFNHF-UHFFFAOYSA-N	-1	0	324.296	0.471	20	30		DCEDRM
N#CC[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(F)(F)F	ZINC001361528014	958054632	/nfs/dbraw/zinc/05/46/32/958054632.db2.gz	WRHVBBMLYNETES-ZETCQYMHSA-N	-1	0	314.227	0.032	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc2cccnc21	ZINC001588397524	958059673	/nfs/dbraw/zinc/05/96/73/958059673.db2.gz	KSQJDALAAAJTFK-UHFFFAOYSA-N	-1	0	311.297	0.720	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccnn1C1CCCC1	ZINC001588397650	958060481	/nfs/dbraw/zinc/06/04/81/958060481.db2.gz	PJDBDXYXJFUWHB-UHFFFAOYSA-N	-1	0	318.333	0.483	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCCN1C(=O)CC(C)C	ZINC001588399842	958075301	/nfs/dbraw/zinc/07/53/01/958075301.db2.gz	PMPVQJXSGMHFEZ-ZDUSSCGKSA-N	-1	0	308.378	0.960	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O	ZINC001588399768	958075509	/nfs/dbraw/zinc/07/55/09/958075509.db2.gz	OWQKXCUATNWPHW-VIFPVBQESA-N	-1	0	320.267	0.334	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1cc(OC)ccc1C=O	ZINC001588407634	958100980	/nfs/dbraw/zinc/10/09/80/958100980.db2.gz	SFWGTQFXZRISBB-UHFFFAOYSA-N	-1	0	305.286	0.433	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1	ZINC001588408622	958115047	/nfs/dbraw/zinc/11/50/47/958115047.db2.gz	VOSVHCXLIONONJ-TYNCELHUSA-N	-1	0	310.350	0.442	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C(=O)N(C)OC)cc1	ZINC001588410945	958143723	/nfs/dbraw/zinc/14/37/23/958143723.db2.gz	AXJKSXYCKGFQNY-UHFFFAOYSA-N	-1	0	319.317	0.872	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cnn(CC(F)(F)F)c1	ZINC001588413214	958158273	/nfs/dbraw/zinc/15/82/73/958158273.db2.gz	VSPFWDJJLVWFRJ-UHFFFAOYSA-N	-1	0	304.228	0.997	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(C(F)(F)F)c(=O)[nH]1	ZINC001588416874	958165608	/nfs/dbraw/zinc/16/56/08/958165608.db2.gz	VXSQHXGFUOEANA-UHFFFAOYSA-N	-1	0	302.208	0.966	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC001588420215	958202181	/nfs/dbraw/zinc/20/21/81/958202181.db2.gz	QMMCHTVFSAUGLA-JTQLQIEISA-N	-1	0	305.290	0.942	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cc(C3CC3)[nH]n2)n1C	ZINC001588426151	958227645	/nfs/dbraw/zinc/22/76/45/958227645.db2.gz	AFRJQYUOKSMTCV-UHFFFAOYSA-N	-1	0	300.322	0.607	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cccnn2)n1CC1CC1	ZINC001588426615	958230639	/nfs/dbraw/zinc/23/06/39/958230639.db2.gz	RHECEMMUYCVHEG-UHFFFAOYSA-N	-1	0	312.333	0.669	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2COCCO2)n1CC1CC1	ZINC001588426827	958233798	/nfs/dbraw/zinc/23/37/98/958233798.db2.gz	DFSJJEMKKWUJPW-GFCCVEGCSA-N	-1	0	320.349	0.300	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCC(=O)N[C@@H]2C)n1CC	ZINC001588427012	958238407	/nfs/dbraw/zinc/23/84/07/958238407.db2.gz	JYSCMIIYPJVGSA-MNOVXSKESA-N	-1	0	319.365	0.204	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2CC(O)C2)n1CC1CC1	ZINC001588427299	958243411	/nfs/dbraw/zinc/24/34/11/958243411.db2.gz	SKPXNJKBMOJDGA-UHFFFAOYSA-N	-1	0	304.350	0.451	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCC[N@H+](C)C2)n1CC	ZINC001588427374	958244089	/nfs/dbraw/zinc/24/40/89/958244089.db2.gz	VORPACHXBAIPJW-LBPRGKRZSA-N	-1	0	305.382	0.631	20	30		DCEDRM
C=C(C)CCC(=O)N[C@H](CC)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001297449851	958262474	/nfs/dbraw/zinc/26/24/74/958262474.db2.gz	PKRZWAVDZPSIRB-SECBINFHSA-N	-1	0	323.353	0.264	20	30		DCEDRM
CC(C)SCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001297551130	958285245	/nfs/dbraw/zinc/28/52/45/958285245.db2.gz	QPQDQMVPBUYXDQ-UHFFFAOYSA-N	-1	0	310.379	0.468	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)[C@H](C(=O)[O-])C(C)C)n1	ZINC001588432768	958288323	/nfs/dbraw/zinc/28/83/23/958288323.db2.gz	CFHHQCGPKOSDKC-CQSZACIVSA-N	-1	0	321.377	0.848	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C(=O)[O-])C(C)C)n1	ZINC001588432767	958288622	/nfs/dbraw/zinc/28/86/22/958288622.db2.gz	CFHHQCGPKOSDKC-AWEZNQCLSA-N	-1	0	321.377	0.848	20	30		DCEDRM
C#CCSCC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001588433332	958296021	/nfs/dbraw/zinc/29/60/21/958296021.db2.gz	PAJYTWQYTMQDTJ-NSHDSACASA-N	-1	0	324.402	0.277	20	30		DCEDRM
Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1C#N	ZINC001594344377	958316148	/nfs/dbraw/zinc/31/61/48/958316148.db2.gz	ZUMKNOCLCQIXNY-GFCCVEGCSA-N	-1	0	322.342	0.191	20	30		DCEDRM
Cc1cc(CN(C)C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)no1	ZINC001361803687	958349272	/nfs/dbraw/zinc/34/92/72/958349272.db2.gz	AQRBXAASXVZWRF-UHFFFAOYSA-N	-1	0	317.305	0.166	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cnn(CC#N)c2)cn1	ZINC001361865209	958422620	/nfs/dbraw/zinc/42/26/20/958422620.db2.gz	FLPIRDBHOSNRAV-UHFFFAOYSA-N	-1	0	320.334	0.425	20	30		DCEDRM
C=CCC(C)(C)c1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1	ZINC001588452714	958427496	/nfs/dbraw/zinc/42/74/96/958427496.db2.gz	IKIRSAIWHFLEJR-UHFFFAOYSA-N	-1	0	320.305	0.937	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCn2cnnc2C)cc1C#N	ZINC001361913731	958482379	/nfs/dbraw/zinc/48/23/79/958482379.db2.gz	MSSUZADJOLYWRU-UHFFFAOYSA-N	-1	0	318.362	0.711	20	30		DCEDRM
C=CCN1CC[C@@H](n2cc(CN3CCC[C@@H]3C(=O)[O-])nn2)C1=O	ZINC001588465461	958503732	/nfs/dbraw/zinc/50/37/32/958503732.db2.gz	KZXASFLYTKHVHP-CHWSQXEVSA-N	-1	0	319.365	0.287	20	30		DCEDRM
C=CCn1c(-c2ncn(C)n2)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588470134	958523383	/nfs/dbraw/zinc/52/33/83/958523383.db2.gz	FJDHHPWLBQUNPJ-CQSZACIVSA-N	-1	0	317.353	0.561	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCS(=O)(=O)C(F)(F)F	ZINC001573363680	958608291	/nfs/dbraw/zinc/60/82/91/958608291.db2.gz	LCHGJVQCIZCTCL-MRVPVSSYSA-N	-1	0	316.257	0.042	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)[C@H]1CN(C)CCO1	ZINC001362133476	958794540	/nfs/dbraw/zinc/79/45/40/958794540.db2.gz	ZEQHBPFIDDIELR-ZYHUDNBSSA-N	-1	0	304.350	0.416	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN2C(=O)OCC[C@H]2C1	ZINC001362154512	958838056	/nfs/dbraw/zinc/83/80/56/958838056.db2.gz	HBLRWEYBAFIORK-NSHDSACASA-N	-1	0	316.317	0.634	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C(C)(C)C1	ZINC001588538234	958938734	/nfs/dbraw/zinc/93/87/34/958938734.db2.gz	FYSUSHRIYOHGEM-NOZJJQNGSA-N	-1	0	316.379	0.463	20	30		DCEDRM
N#Cc1cnc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c(Cl)c1	ZINC001362245807	958995143	/nfs/dbraw/zinc/99/51/43/958995143.db2.gz	OHPITEYGZJPXKC-VIFPVBQESA-N	-1	0	319.712	0.333	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(OC)ccc1OC)C(=O)[O-]	ZINC000159578565	959119318	/nfs/dbraw/zinc/11/93/18/959119318.db2.gz	BPJFRFKGJFPSIM-JTQLQIEISA-N	-1	0	313.331	0.459	20	30		DCEDRM
C=C(Br)CNC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000161494406	959186250	/nfs/dbraw/zinc/18/62/50/959186250.db2.gz	XSGIMHRZYXDWNM-UHFFFAOYSA-N	-1	0	318.131	0.184	20	30		DCEDRM
CC(C)[C@@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001362372331	959236346	/nfs/dbraw/zinc/23/63/46/959236346.db2.gz	ZEDOYZRNQBJLAD-RYUDHWBXSA-N	-1	0	320.349	0.140	20	30		DCEDRM
CO[C@H]1CCCC[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362441462	959362510	/nfs/dbraw/zinc/36/25/10/959362510.db2.gz	ZQATXHGKFLDATD-RYUDHWBXSA-N	-1	0	320.349	0.284	20	30		DCEDRM
C[C@]1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCCS1	ZINC001362464066	959407286	/nfs/dbraw/zinc/40/72/86/959407286.db2.gz	NGTJHSKXRZCWOX-CQSZACIVSA-N	-1	0	322.390	0.613	20	30		DCEDRM
COCCC1(C)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362505668	959484874	/nfs/dbraw/zinc/48/48/74/959484874.db2.gz	STXOEEKTDFBTNK-UHFFFAOYSA-N	-1	0	320.349	0.096	20	30		DCEDRM
C[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(=O)[O-]	ZINC001594233224	959487968	/nfs/dbraw/zinc/48/79/68/959487968.db2.gz	OMQANQXXQLOHOD-QMMMGPOBSA-N	-1	0	306.322	0.643	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NCC[C@H](C)NCC#N)cc1=O	ZINC001492053792	959531131	/nfs/dbraw/zinc/53/11/31/959531131.db2.gz	SMENLKZYRVUPDZ-LBPRGKRZSA-N	-1	0	307.398	0.383	20	30		DCEDRM
CC(=O)[C@H]1CCCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362591873	959659485	/nfs/dbraw/zinc/65/94/85/959659485.db2.gz	NDZMOJINQZSPTM-GFCCVEGCSA-N	-1	0	318.333	0.181	20	30		DCEDRM
C=C(Cl)CN(CC)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001492982582	959783090	/nfs/dbraw/zinc/78/30/90/959783090.db2.gz	KBZBTEFTFVPAOX-UHFFFAOYSA-N	-1	0	301.734	0.087	20	30		DCEDRM
CC(C)(C)SCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362687125	959827972	/nfs/dbraw/zinc/82/79/72/959827972.db2.gz	HUXCHZYYVSFBQU-UHFFFAOYSA-N	-1	0	310.379	0.468	20	30		DCEDRM
C[C@H]1CCC[C@@H](Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)C1	ZINC001573716391	959874133	/nfs/dbraw/zinc/87/41/33/959874133.db2.gz	SYCOPUCMGYFELZ-WDEREUQCSA-N	-1	0	305.334	0.793	20	30		DCEDRM
N#C[C@@]1(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CCCOC1	ZINC001362725312	959896732	/nfs/dbraw/zinc/89/67/32/959896732.db2.gz	RFQUXCYEVFZDIX-HZMBPMFUSA-N	-1	0	305.338	0.537	20	30		DCEDRM
COC1([C@@H](C)NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001362781032	959977980	/nfs/dbraw/zinc/97/79/80/959977980.db2.gz	VACXUIBSCOFTSF-SNVBAGLBSA-N	-1	0	320.349	0.284	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O	ZINC001362816945	960034512	/nfs/dbraw/zinc/03/45/12/960034512.db2.gz	LFHHGDBSPANEEW-RYUDHWBXSA-N	-1	0	314.345	0.851	20	30		DCEDRM
C[C@@H](C(=O)[N-]OCCOc1ccccc1)n1cnc(C#N)n1	ZINC001305277761	960103969	/nfs/dbraw/zinc/10/39/69/960103969.db2.gz	JANHGIHRAJLLKA-NSHDSACASA-N	-1	0	301.306	0.838	20	30		DCEDRM
C[C@H](C(=O)[N-]OCCOc1ccccc1)n1cnc(C#N)n1	ZINC001305277755	960105590	/nfs/dbraw/zinc/10/55/90/960105590.db2.gz	JANHGIHRAJLLKA-LLVKDONJSA-N	-1	0	301.306	0.838	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc([N+](=O)[O-])cc2)c(C#N)c1=O	ZINC001306938185	960139231	/nfs/dbraw/zinc/13/92/31/960139231.db2.gz	ZGBFFIDBDAHXCN-UHFFFAOYSA-N	-1	0	301.262	0.466	20	30		DCEDRM
COC[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1nnn[n-]1	ZINC001362912829	960170172	/nfs/dbraw/zinc/17/01/72/960170172.db2.gz	ZNVMZHKVCRNMPS-GFCCVEGCSA-N	-1	0	316.321	0.148	20	30		DCEDRM
C[C@H]1c2ccccc2C[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362928198	960187372	/nfs/dbraw/zinc/18/73/72/960187372.db2.gz	GCEXCAYLBWUGLB-IINYFYTJSA-N	-1	0	324.340	0.665	20	30		DCEDRM
CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@H]1CCC[C@@H]1C#N	ZINC001363126443	960440102	/nfs/dbraw/zinc/44/01/02/960440102.db2.gz	BBHSABKQWGTCHO-YPMHNXCESA-N	-1	0	311.349	0.839	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CC(C2CC2)C2CC2)c(=O)[n-]c1=O	ZINC001363128870	960443206	/nfs/dbraw/zinc/44/32/06/960443206.db2.gz	NRKYLCSYDZKTLJ-UHFFFAOYSA-N	-1	0	316.361	0.763	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@@H](c3ncccn3)C2)c(C#N)c1=O	ZINC001363162012	960510721	/nfs/dbraw/zinc/51/07/21/960510721.db2.gz	KCTJDWDTSLNFHQ-SNVBAGLBSA-N	-1	0	312.333	0.119	20	30		DCEDRM
CS[C@H]1C[C@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001363173854	960535246	/nfs/dbraw/zinc/53/52/46/960535246.db2.gz	PXGMZTBFCNUAKD-MGCOHNPYSA-N	-1	0	308.363	0.221	20	30		DCEDRM
N#Cc1cn(CC(=O)N2Cc3ccccc3CO2)c(=O)[n-]c1=O	ZINC001363176499	960538128	/nfs/dbraw/zinc/53/81/28/960538128.db2.gz	REJYCIICZFXSLE-UHFFFAOYSA-N	-1	0	312.285	0.295	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1ccc(CC(N)=O)cc1	ZINC001363179953	960546350	/nfs/dbraw/zinc/54/63/50/960546350.db2.gz	KOVWUBWTWKQMFQ-UHFFFAOYSA-N	-1	0	324.340	0.925	20	30		DCEDRM
CCn1nc(C)cc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363190700	960569760	/nfs/dbraw/zinc/56/97/60/960569760.db2.gz	UNMFMROFIATXEX-UHFFFAOYSA-N	-1	0	316.321	0.374	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)c(=O)[n-]c1=O	ZINC001363503344	961292012	/nfs/dbraw/zinc/29/20/12/961292012.db2.gz	VJKYIDJROCWQJT-NHCYSSNCSA-N	-1	0	302.334	0.373	20	30		DCEDRM
N#Cc1cnn(-c2ccc(C(=O)N3CC[C@@H]3C(=O)[O-])cc2)c1N	ZINC001571111665	961336370	/nfs/dbraw/zinc/33/63/70/961336370.db2.gz	OQTXHORYBBOXAH-GFCCVEGCSA-N	-1	0	311.301	0.625	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@@H](CC2OCCO2)C(=O)[O-])cc1	ZINC001571143308	961693380	/nfs/dbraw/zinc/69/33/80/961693380.db2.gz	RYOFPFZLKPZTQP-LBPRGKRZSA-N	-1	0	319.317	0.303	20	30		DCEDRM
CCc1nnc(N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c(C#N)c1CC	ZINC001571144398	961706531	/nfs/dbraw/zinc/70/65/31/961706531.db2.gz	LYWQJVFBBDRRIP-IUCAKERBSA-N	-1	0	319.365	0.863	20	30		DCEDRM
CCCn1nccc1NC(=O)CN1CCC(C#N)(C(=O)[O-])CC1	ZINC001571144860	961715932	/nfs/dbraw/zinc/71/59/32/961715932.db2.gz	ZVXMQVPAFWBYNR-UHFFFAOYSA-N	-1	0	319.365	0.922	20	30		DCEDRM
CCc1nc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)cs1	ZINC001363737616	961789836	/nfs/dbraw/zinc/78/98/36/961789836.db2.gz	XZWSRCOJWWCDOI-UHFFFAOYSA-N	-1	0	305.363	0.619	20	30		DCEDRM
C=CCCS(=O)(=O)NCc1c(C)nn(CC(=O)[O-])c1C	ZINC001345780183	962293208	/nfs/dbraw/zinc/29/32/08/962293208.db2.gz	AKSVXTKJRQWKIO-UHFFFAOYSA-N	-1	0	301.368	0.580	20	30		DCEDRM
N#Cc1cn(CC(=O)N2Cc3ccc(O)cc3C2)c(=O)[n-]c1=O	ZINC001364070694	962416879	/nfs/dbraw/zinc/41/68/79/962416879.db2.gz	PHRUGRIAVGSIIO-UHFFFAOYSA-N	-1	0	312.285	0.069	20	30		DCEDRM
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001364094970	962459756	/nfs/dbraw/zinc/45/97/56/962459756.db2.gz	NWFYYVNJIPKGOZ-QCZKYFFMSA-N	-1	0	302.334	0.229	20	30		DCEDRM
C#CC[C@@H](NC(=O)/C=C\c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC001573303447	962677135	/nfs/dbraw/zinc/67/71/35/962677135.db2.gz	XPZHSLMNNLNRPL-JPVGGKMYSA-N	-1	0	314.297	0.623	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCCS(=O)(=O)C[C@H]1C	ZINC001364212880	962683041	/nfs/dbraw/zinc/68/30/41/962683041.db2.gz	OIYTVELRPYTDGA-SNVBAGLBSA-N	-1	0	323.374	0.617	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001573312207	962719490	/nfs/dbraw/zinc/71/94/90/962719490.db2.gz	OEUOFHWSBLRGDK-UHFFFAOYSA-N	-1	0	313.313	0.910	20	30		DCEDRM
C=C(Br)CN1CC[C@@H](CNC(=O)CNC(=O)[O-])C1	ZINC001573313672	962734686	/nfs/dbraw/zinc/73/46/86/962734686.db2.gz	OSKAKUVTTAOKEK-VIFPVBQESA-N	-1	0	320.187	0.601	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588987733	962765798	/nfs/dbraw/zinc/76/57/98/962765798.db2.gz	CTUYZYTVXLDVQU-ZMLRMANQSA-N	-1	0	315.395	0.508	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1oc(S(N)(=O)=O)cc1C)C(=O)[O-]	ZINC001573323347	962771225	/nfs/dbraw/zinc/77/12/25/962771225.db2.gz	ABYTXKVCDFOWGK-MRVPVSSYSA-N	-1	0	316.335	0.385	20	30		DCEDRM
C=C(C)CCC(=O)N1CC[C@@H](NC(=O)CNC(=O)[O-])[C@H](C)C1	ZINC001573324208	962781397	/nfs/dbraw/zinc/78/13/97/962781397.db2.gz	OVJBWKUWTNSXED-VXGBXAGGSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)N(CC)Cc1ccccc1)C(=O)[O-]	ZINC000274956601	962810935	/nfs/dbraw/zinc/81/09/35/962810935.db2.gz	HAHCWMLKDMJDOI-ZDUSSCGKSA-N	-1	0	310.375	0.819	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001573347464	962946984	/nfs/dbraw/zinc/94/69/84/962946984.db2.gz	KVIIPUYKUWHHPT-MEBBXXQBSA-N	-1	0	322.365	0.761	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)[C@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001573348437	962959324	/nfs/dbraw/zinc/95/93/24/962959324.db2.gz	XBQXZTJBRXDAQV-BMIGLBTASA-N	-1	0	322.365	0.183	20	30		DCEDRM
C=CCC(C)(C)C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573351927	962983467	/nfs/dbraw/zinc/98/34/67/962983467.db2.gz	YWQVMJXPJLNWFD-NEPJUHHUSA-N	-1	0	308.378	0.979	20	30		DCEDRM
C=CCCC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573352694	962991725	/nfs/dbraw/zinc/99/17/25/962991725.db2.gz	HZNCUIJTZZEYQH-NEPJUHHUSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=CCN1Cc2ccccc2C[C@H]1CNC(=O)CNC(=O)[O-]	ZINC001573368579	963083660	/nfs/dbraw/zinc/08/36/60/963083660.db2.gz	OLTXPKGYJWYKLT-AWEZNQCLSA-N	-1	0	303.362	0.983	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001573368654	963084730	/nfs/dbraw/zinc/08/47/30/963084730.db2.gz	JADXTMPIDZJHNJ-UTUOFQBUSA-N	-1	0	303.380	0.846	20	30		DCEDRM
C#CCCCCCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O	ZINC001588440667	964042681	/nfs/dbraw/zinc/04/26/81/964042681.db2.gz	HVIMUMADNQCAJT-SMDDNHRTSA-N	-1	0	315.391	0.574	20	30		DCEDRM
C#CCCCCCC(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588440941	964047945	/nfs/dbraw/zinc/04/79/45/964047945.db2.gz	ZSUPEDWERXAUES-KBPBESRZSA-N	-1	0	320.389	0.865	20	30		DCEDRM
C=C(C)Cn1c(-c2ncon2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588442236	964056599	/nfs/dbraw/zinc/05/65/99/964056599.db2.gz	HBXLHCVKGILKRB-SECBINFHSA-N	-1	0	304.310	0.815	20	30		DCEDRM
C#CCCCNC(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC001588446400	964071953	/nfs/dbraw/zinc/07/19/53/964071953.db2.gz	JYBXDDABTXWSLA-UHFFFAOYSA-N	-1	0	302.330	0.573	20	30		DCEDRM
CC#CC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001609645807	970434374	/nfs/dbraw/zinc/43/43/74/970434374.db2.gz	OXZMKOYEZHIYCA-TZMCWYRMSA-N	-1	0	300.314	0.553	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(CC(F)(F)F)C(=O)C1	ZINC001609691322	970447696	/nfs/dbraw/zinc/44/76/96/970447696.db2.gz	JNKKYYVCXOCLPR-NSHDSACASA-N	-1	0	321.255	0.224	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC(=O)[O-])cc1	ZINC001609696328	970457303	/nfs/dbraw/zinc/45/73/03/970457303.db2.gz	NEXQVZHCQAKTAD-QMMMGPOBSA-N	-1	0	311.319	0.578	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(C(=O)C(=O)Nc1ccc(C#N)cn1)C1CC1	ZINC001609706557	970484627	/nfs/dbraw/zinc/48/46/27/970484627.db2.gz	YDXMYKNKLPROKU-QMMMGPOBSA-N	-1	0	302.290	0.356	20	30		DCEDRM
C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001610068651	970655918	/nfs/dbraw/zinc/65/59/18/970655918.db2.gz	WRVTYYFILIBCHK-JMSVASOKSA-N	-1	0	309.366	0.313	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC(C)(C#N)CC2)C1	ZINC001603355067	972795652	/nfs/dbraw/zinc/79/56/52/972795652.db2.gz	MVTNJKWRQRNKDC-NEPJUHHUSA-N	-1	0	321.377	0.708	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@](C#N)(c2ccccn2)C1	ZINC001604423418	973200189	/nfs/dbraw/zinc/20/01/89/973200189.db2.gz	ZXLCQYAKIWLVSU-IUODEOHRSA-N	-1	0	303.318	0.565	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C1	ZINC001604523996	973474264	/nfs/dbraw/zinc/47/42/64/973474264.db2.gz	YLXGVYGCANZMLP-XJKSGUPXSA-N	-1	0	318.329	0.541	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1	ZINC000401900383	973506140	/nfs/dbraw/zinc/50/61/40/973506140.db2.gz	PZJAKGGLVJTQDL-NEPJUHHUSA-N	-1	0	324.358	0.209	20	30		DCEDRM
CC[C@@H](CNC(=O)C(=O)N1Cc2cccc(C#N)c2C1)C(=O)[O-]	ZINC001603549596	973612197	/nfs/dbraw/zinc/61/21/97/973612197.db2.gz	SWWZBIUCWHDZTG-JTQLQIEISA-N	-1	0	315.329	0.627	20	30		DCEDRM
N#Cc1cc(O)cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1	ZINC001605597121	973894498	/nfs/dbraw/zinc/89/44/98/973894498.db2.gz	AFSSKSVYPSDKOC-IAQYHMDHSA-N	-1	0	302.286	0.437	20	30		DCEDRM
N#Cc1ccc(N2CC[C@H](OC(=O)COCC(=O)[O-])C2=O)cc1	ZINC001605611356	973918277	/nfs/dbraw/zinc/91/82/77/973918277.db2.gz	UMWLYHDSWCBHAD-LBPRGKRZSA-N	-1	0	318.285	0.308	20	30		DCEDRM
N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001605623162	973949762	/nfs/dbraw/zinc/94/97/62/973949762.db2.gz	ZFLTXARLBONUCC-QWHCGFSZSA-N	-1	0	314.345	0.713	20	30		DCEDRM
C[C@H](CCC#N)c1nnc(N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1C	ZINC001592470458	978222589	/nfs/dbraw/zinc/22/25/89/978222589.db2.gz	IWLMJHJVCBPWDH-VWYCJHECSA-N	-1	0	307.354	0.901	20	30		DCEDRM
C[C@](CCF)(NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001592494520	978289308	/nfs/dbraw/zinc/28/93/08/978289308.db2.gz	AAKDGTKKLXUPAL-OAHLLOKOSA-N	-1	0	321.308	0.607	20	30		DCEDRM
C[C@H](CNC(=O)C#CC1CC1)N(C)c1ccnc(C(=O)[O-])n1	ZINC001592624455	978598423	/nfs/dbraw/zinc/59/84/23/978598423.db2.gz	JCRQRRFJHAEOLT-SNVBAGLBSA-N	-1	0	302.334	0.529	20	30		DCEDRM
CC[C@H](CC#N)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001595030376	979166842	/nfs/dbraw/zinc/16/68/42/979166842.db2.gz	PLRPDHJJMBHRPS-SECBINFHSA-N	-1	0	307.310	0.023	20	30		DCEDRM
C[C@@](Cn1cccn1)(NC(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC001592916857	979892501	/nfs/dbraw/zinc/89/25/01/979892501.db2.gz	KMARAWFZMVRAPV-HNNXBMFYSA-N	-1	0	313.317	0.352	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)NCCCCC#N)c1ncc(C(=O)[O-])s1	ZINC001592981660	980160348	/nfs/dbraw/zinc/16/03/48/980160348.db2.gz	XUUNLOWSEGKGMZ-MRVPVSSYSA-N	-1	0	324.362	0.829	20	30		DCEDRM
CC[C@@H](C(=O)[O-])C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC001594745029	981628818	/nfs/dbraw/zinc/62/88/18/981628818.db2.gz	IOPJNZQVFNEELN-GFCCVEGCSA-N	-1	0	302.334	0.713	20	30		DCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001588368925	983309026	/nfs/dbraw/zinc/30/90/26/983309026.db2.gz	VODMMQNETOCWAE-QMMMGPOBSA-N	-1	0	312.303	0.935	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC001588370682	983321029	/nfs/dbraw/zinc/32/10/29/983321029.db2.gz	KYAYQQYDZWRGJW-QMMMGPOBSA-N	-1	0	306.274	0.287	20	30		DCEDRM
C#C[C@H](NC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1)C(C)C	ZINC001588372075	983327771	/nfs/dbraw/zinc/32/77/71/983327771.db2.gz	CKGPJNBSOHZQKQ-QWRGUYRKSA-N	-1	0	305.338	0.591	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)C1CCOCC1	ZINC001588372728	983333650	/nfs/dbraw/zinc/33/36/50/983333650.db2.gz	RLMOYXSOUZPVHC-OLZOCXBDSA-N	-1	0	310.350	0.300	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2C)C1	ZINC001588375734	983346928	/nfs/dbraw/zinc/34/69/28/983346928.db2.gz	HCLPTPUFARMLPW-UHFFFAOYSA-N	-1	0	304.277	0.815	20	30		DCEDRM
C#CC1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)CC1	ZINC001588383163	983378353	/nfs/dbraw/zinc/37/83/53/983378353.db2.gz	ORBNQGSOXTUKAA-DGCLKSJQSA-N	-1	0	306.362	0.427	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1c(C)csc1C(=O)[O-]	ZINC001588383884	983385086	/nfs/dbraw/zinc/38/50/86/983385086.db2.gz	NYXBHUVUZRGGPW-SECBINFHSA-N	-1	0	315.372	0.777	20	30		DCEDRM
C#C[C@@H]1COCCN1CC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC001588384039	983386232	/nfs/dbraw/zinc/38/62/32/983386232.db2.gz	SUZOZFULGPXKPB-CYBMUJFWSA-N	-1	0	302.330	0.966	20	30		DCEDRM
C#C[C@@H]1COCCN1C[C@H](O)COc1ccc(C(=O)[O-])cc1	ZINC001588384245	983388416	/nfs/dbraw/zinc/38/84/16/983388416.db2.gz	ZYPKABKDRGRPEA-KGLIPLIRSA-N	-1	0	305.330	0.459	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588393183	983397096	/nfs/dbraw/zinc/39/70/96/983397096.db2.gz	COBRFERQVRSGSA-QMTHXVAHSA-N	-1	0	309.322	0.040	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)C(=O)[O-]	ZINC001588407060	983427334	/nfs/dbraw/zinc/42/73/34/983427334.db2.gz	VEZRSKFBTHAKDH-VXGBXAGGSA-N	-1	0	321.354	0.540	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1cccc(N2CCCC2=O)c1)C(=O)[O-]	ZINC001588407857	983429394	/nfs/dbraw/zinc/42/93/94/983429394.db2.gz	PYMLBLADBHPRQG-AWEZNQCLSA-N	-1	0	314.341	0.949	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)C(=O)[O-]	ZINC001588407995	983429826	/nfs/dbraw/zinc/42/98/26/983429826.db2.gz	UJZLTZCAVJFDJJ-QWRGUYRKSA-N	-1	0	311.382	0.701	20	30		DCEDRM
C#CC[C@H](NC(=O)c1nn(CC)c2ccccc2c1=O)C(=O)[O-]	ZINC001588421363	983440668	/nfs/dbraw/zinc/44/06/68/983440668.db2.gz	HRBOJLVFEUTBJL-NSHDSACASA-N	-1	0	313.313	0.623	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1)C(=O)[O-]	ZINC001588424557	983456073	/nfs/dbraw/zinc/45/60/73/983456073.db2.gz	WVTOGSDBULMARS-WOPDTQHZSA-N	-1	0	301.364	0.340	20	30		DCEDRM
C#CCC1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CCC1	ZINC001588428174	983460079	/nfs/dbraw/zinc/46/00/79/983460079.db2.gz	DZSJVFLNHNQLGI-QNWHQSFQSA-N	-1	0	318.373	0.664	20	30		DCEDRM
C#CCC1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CCC1	ZINC001588428173	983460094	/nfs/dbraw/zinc/46/00/94/983460094.db2.gz	DZSJVFLNHNQLGI-LPWJVIDDSA-N	-1	0	318.373	0.664	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C1	ZINC001588431506	983465006	/nfs/dbraw/zinc/46/50/06/983465006.db2.gz	KBWJISZMKHJKQW-FRRDWIJNSA-N	-1	0	306.362	0.427	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC001588435061	983474187	/nfs/dbraw/zinc/47/41/87/983474187.db2.gz	BDPOBTDOHBOQCQ-SECBINFHSA-N	-1	0	315.322	0.577	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(C(=O)[O-])cc1OC	ZINC001588464734	983494147	/nfs/dbraw/zinc/49/41/47/983494147.db2.gz	HGDMHDUGHOZWKM-UHFFFAOYSA-N	-1	0	307.327	0.651	20	30		DCEDRM
C#CCN(CC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OC(C)(C)C	ZINC001588465880	983497102	/nfs/dbraw/zinc/49/71/02/983497102.db2.gz	LNDASWLEPUJBJH-PHIMTYICSA-N	-1	0	310.350	0.836	20	30		DCEDRM
C#CCN1CCN(C(=O)COc2cc(C(=O)[O-])ccc2C)CC1	ZINC001588477003	983513340	/nfs/dbraw/zinc/51/33/40/983513340.db2.gz	JBPCJKWHSMHZMY-UHFFFAOYSA-N	-1	0	316.357	0.849	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001588477309	983515092	/nfs/dbraw/zinc/51/50/92/983515092.db2.gz	NSYIBHXSWGPXTL-JTQLQIEISA-N	-1	0	302.334	0.564	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)CC1	ZINC001588511518	983559875	/nfs/dbraw/zinc/55/98/75/983559875.db2.gz	YYGCYXTZEOLTIU-ZDEQEGDKSA-N	-1	0	306.362	0.616	20	30		DCEDRM
C#Cc1cccnc1N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001588528890	983578635	/nfs/dbraw/zinc/57/86/35/983578635.db2.gz	LJUVZKPESOMSHP-MRXNPFEDSA-N	-1	0	301.346	0.429	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O	ZINC001588529793	983582401	/nfs/dbraw/zinc/58/24/01/983582401.db2.gz	GMWRRBFXSVZQMD-TVQRCGJNSA-N	-1	0	303.380	0.593	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588529891	983582749	/nfs/dbraw/zinc/58/27/49/983582749.db2.gz	KMDJOYYLSHVWOA-NEPJUHHUSA-N	-1	0	308.378	0.884	20	30		DCEDRM
C=C(C)CCN1CC2(C1)CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])CCO2	ZINC001588558953	983639119	/nfs/dbraw/zinc/63/91/19/983639119.db2.gz	FXHXMBNOCRBYCJ-STQMWFEESA-N	-1	0	308.378	0.587	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)Cc1ncnn1CC(F)F	ZINC001588612167	983702302	/nfs/dbraw/zinc/70/23/02/983702302.db2.gz	KFCDWLPYGGRFHP-UHFFFAOYSA-N	-1	0	302.281	0.923	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@H](CO)C[C@H](OCCOC)C1	ZINC001588612575	983703379	/nfs/dbraw/zinc/70/33/79/983703379.db2.gz	SMATZVZXPVHCPV-OLZOCXBDSA-N	-1	0	315.366	0.280	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O	ZINC001588623277	983727641	/nfs/dbraw/zinc/72/76/41/983727641.db2.gz	OBOZZQJNUHDYIH-LLVKDONJSA-N	-1	0	320.349	0.371	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC001588633854	983751432	/nfs/dbraw/zinc/75/14/32/983751432.db2.gz	SQGQIYXUYPVUKW-LLVKDONJSA-N	-1	0	301.339	0.832	20	30		DCEDRM
C=C1CCC(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CC1	ZINC001588644344	983769518	/nfs/dbraw/zinc/76/95/18/983769518.db2.gz	QNLMEYJUOTYBRQ-LLVKDONJSA-N	-1	0	301.364	0.443	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1	ZINC001588669680	983813536	/nfs/dbraw/zinc/81/35/36/983813536.db2.gz	MPRKBHZSBLPCNV-GFCCVEGCSA-N	-1	0	318.329	0.812	20	30		DCEDRM
C=CC(C)(C)CC(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588673446	983831013	/nfs/dbraw/zinc/83/10/13/983831013.db2.gz	YKVBCPRFONVZFK-NWDGAFQWSA-N	-1	0	308.378	0.884	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCCCN(C)c1ccnc(C(=O)[O-])n1	ZINC001588683648	983849708	/nfs/dbraw/zinc/84/97/08/983849708.db2.gz	BDCQXGRSRTZONU-OAHLLOKOSA-N	-1	0	322.365	0.444	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@H](CC)Nc1ncc(C(=O)[O-])cn1	ZINC001588683909	983853347	/nfs/dbraw/zinc/85/33/47/983853347.db2.gz	GZWWJXWBHIQLJA-XHDPSFHLSA-N	-1	0	322.365	0.809	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CCC[C@](C)(C(=O)[O-])C2)n1CCOC	ZINC001588706247	983930468	/nfs/dbraw/zinc/93/04/68/983930468.db2.gz	XEGJPJAYAPZXCZ-ABAIWWIYSA-N	-1	0	324.381	0.835	20	30		DCEDRM
C=CC[C@H](C(=O)OC)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588731173	984006367	/nfs/dbraw/zinc/00/63/67/984006367.db2.gz	DMBBYEZMDHXBPM-ZYHUDNBSSA-N	-1	0	308.338	0.731	20	30		DCEDRM
C=CC[C@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)C(=O)OCC	ZINC001588743454	984037546	/nfs/dbraw/zinc/03/75/46/984037546.db2.gz	WTGRVABEZNFVPX-LBPRGKRZSA-N	-1	0	323.349	0.986	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588744497	984043510	/nfs/dbraw/zinc/04/35/10/984043510.db2.gz	NMAJOMXTJPSQAI-LBPRGKRZSA-N	-1	0	306.318	0.305	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)CC1	ZINC001588768736	984130975	/nfs/dbraw/zinc/13/09/75/984130975.db2.gz	CJHCPXRZJVYOFN-VXGBXAGGSA-N	-1	0	324.377	0.238	20	30		DCEDRM
C=CCC1(O)CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1	ZINC001588768980	984131628	/nfs/dbraw/zinc/13/16/28/984131628.db2.gz	IXGFFBPGUJLLIJ-UHFFFAOYSA-N	-1	0	314.363	0.805	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-]	ZINC001588789792	984200882	/nfs/dbraw/zinc/20/08/82/984200882.db2.gz	JVSIXPYYWCVPLL-GHMZBOCLSA-N	-1	0	318.395	0.336	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)[O-]	ZINC001588790239	984205290	/nfs/dbraw/zinc/20/52/90/984205290.db2.gz	UBXOLUSOHZAAEF-WDEREUQCSA-N	-1	0	301.364	0.861	20	30		DCEDRM
C=CCCn1cc(CN2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])nn1	ZINC001588820131	984282094	/nfs/dbraw/zinc/28/20/94/984282094.db2.gz	RNICNFNUISOAMD-DGCLKSJQSA-N	-1	0	322.365	0.692	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001588828678	984308478	/nfs/dbraw/zinc/30/84/78/984308478.db2.gz	IJHCNHCZNPHAHV-LBPRGKRZSA-N	-1	0	324.377	0.361	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)CCc2ocnc2C(=O)[O-])C1=O	ZINC001588836990	984331703	/nfs/dbraw/zinc/33/17/03/984331703.db2.gz	NXOPBWSWPDVZTL-JTQLQIEISA-N	-1	0	321.333	0.551	20	30		DCEDRM
C=CCN1CCC(NS(=O)(=O)C2(C(=O)[O-])CCC2)CC1	ZINC001588838465	984337948	/nfs/dbraw/zinc/33/79/48/984337948.db2.gz	FVTGFRCLXFQSNC-UHFFFAOYSA-N	-1	0	302.396	0.564	20	30		DCEDRM
C=CCOCC(=O)N1C[C@H](Nc2ccnc(C(=O)[O-])n2)C[C@H]1C	ZINC001588849924	984376877	/nfs/dbraw/zinc/37/68/77/984376877.db2.gz	PJBHOOZSQUUFTF-GHMZBOCLSA-N	-1	0	320.349	0.201	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C(=O)[O-]	ZINC001588850756	984380036	/nfs/dbraw/zinc/38/00/36/984380036.db2.gz	CXJVZZGNLOIVAR-GHMZBOCLSA-N	-1	0	314.382	0.699	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)Sc1nncn1C)C(=O)[O-]	ZINC001588850866	984380421	/nfs/dbraw/zinc/38/04/21/984380421.db2.gz	IIDJGWZLOTUVTO-BDAKNGLRSA-N	-1	0	314.367	0.068	20	30		DCEDRM
C=CCOCC(=O)N[C@H](C)CN(C)c1ncc(C(=O)[O-])cn1	ZINC001588851118	984383071	/nfs/dbraw/zinc/38/30/71/984383071.db2.gz	VIRCOHBWSAWGTI-SNVBAGLBSA-N	-1	0	308.338	0.318	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CNC(=O)CC1CCCC1)C(=O)[O-]	ZINC001588853646	984385060	/nfs/dbraw/zinc/38/50/60/984385060.db2.gz	DPXDFHWGRWTJCR-GFCCVEGCSA-N	-1	0	312.366	0.455	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)[O-]	ZINC001588855965	984395662	/nfs/dbraw/zinc/39/56/62/984395662.db2.gz	SSHSDNWGSBFJEU-YATPEIPISA-N	-1	0	311.334	0.000	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)C(=O)[O-]	ZINC001588856624	984401460	/nfs/dbraw/zinc/40/14/60/984401460.db2.gz	NVBNMKBXEGBFTC-VXGBXAGGSA-N	-1	0	300.355	0.309	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc(NC(N)=O)c1)C(=O)[O-]	ZINC001588861245	984414484	/nfs/dbraw/zinc/41/44/84/984414484.db2.gz	DEDQADHITPTOCZ-NSHDSACASA-N	-1	0	307.306	0.563	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC001588879252	984457429	/nfs/dbraw/zinc/45/74/29/984457429.db2.gz	XUCZEQQFLHOFMY-VHSXEESVSA-N	-1	0	300.380	0.343	20	30		DCEDRM
C=CCn1c([C@@H](O)C(C)C)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588895812	984496575	/nfs/dbraw/zinc/49/65/75/984496575.db2.gz	MYKGTHNDVHYUDP-MNOVXSKESA-N	-1	0	310.354	0.443	20	30		DCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588900183	984519807	/nfs/dbraw/zinc/51/98/07/984519807.db2.gz	CGPJPPBTWNEGOG-AXFHLTTASA-N	-1	0	310.354	0.066	20	30		DCEDRM
C=CCn1cc(CNC(=O)c2cccc(OCC(=O)[O-])c2)nn1	ZINC001588909413	984544232	/nfs/dbraw/zinc/54/42/32/984544232.db2.gz	SSBQSYLNWCGEJY-UHFFFAOYSA-N	-1	0	316.317	0.858	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC001588919813	984574647	/nfs/dbraw/zinc/57/46/47/984574647.db2.gz	PKWFPXDDGRHFOX-SNVBAGLBSA-N	-1	0	315.347	0.365	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001588926080	984590897	/nfs/dbraw/zinc/59/08/97/984590897.db2.gz	IBPCGKHHVCDVLO-LLVKDONJSA-N	-1	0	320.345	0.657	20	30		DCEDRM
CC#CCCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC001588926970	984595998	/nfs/dbraw/zinc/59/59/98/984595998.db2.gz	GNOZNLQASNIVLX-UHFFFAOYSA-N	-1	0	318.329	0.927	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C[C@]1(C)C(=O)[O-]	ZINC001599910087	984974100	/nfs/dbraw/zinc/97/41/00/984974100.db2.gz	ITWDJQNZDVHSJD-PGUXBMHVSA-N	-1	0	307.350	0.318	20	30		DCEDRM
CC(=O)N1CC(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001589056829	985167209	/nfs/dbraw/zinc/16/72/09/985167209.db2.gz	IZIRIUSBDAWJIP-ZDUSSCGKSA-N	-1	0	302.286	0.705	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001599943056	985479771	/nfs/dbraw/zinc/47/97/71/985479771.db2.gz	ZIMOYSAGOQGYEZ-LLVKDONJSA-N	-1	0	307.306	0.531	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001599974893	986072952	/nfs/dbraw/zinc/07/29/52/986072952.db2.gz	MCYVOSPAFHUMTC-PJXYFTJBSA-N	-1	0	313.313	0.594	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001589329086	986160827	/nfs/dbraw/zinc/16/08/27/986160827.db2.gz	ILPKKZZTSSBDDO-ZJUUUORDSA-N	-1	0	303.322	0.419	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001589329844	986167051	/nfs/dbraw/zinc/16/70/51/986167051.db2.gz	UOKLLZLAEYKXAF-FXPVBKGRSA-N	-1	0	303.322	0.641	20	30		DCEDRM
C[C@H](C#N)C(=O)NC1CC(CNc2ccnc(C(=O)[O-])n2)C1	ZINC001589329873	986167962	/nfs/dbraw/zinc/16/79/62/986167962.db2.gz	VHXZRYZDHQFXGV-XNWIYYODSA-N	-1	0	303.322	0.063	20	30		DCEDRM
C[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cn1)n1cnc(C#N)n1	ZINC001589339940	986243677	/nfs/dbraw/zinc/24/36/77/986243677.db2.gz	OBPSNUXTFQIWMT-VIFPVBQESA-N	-1	0	314.305	0.463	20	30		DCEDRM
CC(C)(C(=O)[O-])n1cc(NC(=O)N2CC(O)(CC#N)C2)cn1	ZINC001589672705	987676814	/nfs/dbraw/zinc/67/68/14/987676814.db2.gz	ONCBDGHWXAUXPB-UHFFFAOYSA-N	-1	0	307.310	0.195	20	30		DCEDRM
CSC[C@@](C)(C#N)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC001599789513	987983805	/nfs/dbraw/zinc/98/38/05/987983805.db2.gz	IXJRRCVHHVFSIF-LLVKDONJSA-N	-1	0	317.392	0.647	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H](O)CC(=O)[O-]	ZINC001589867418	988487334	/nfs/dbraw/zinc/48/73/34/988487334.db2.gz	WOVHQOAXTLJVOW-OTYXRUKQSA-N	-1	0	314.338	0.200	20	30		DCEDRM
CCc1nc(C#N)cc(NCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1	ZINC001597646554	988668225	/nfs/dbraw/zinc/66/82/25/988668225.db2.gz	CKSBNYAFLQOYGE-MNOVXSKESA-N	-1	0	317.349	0.502	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C#N)C[C@H]1CC(=O)[O-]	ZINC001599847743	988962183	/nfs/dbraw/zinc/96/21/83/988962183.db2.gz	AMECXSXFPMMHQK-GHMZBOCLSA-N	-1	0	309.366	0.564	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001590072065	989148084	/nfs/dbraw/zinc/14/80/84/989148084.db2.gz	AGPZQOIBGSZRQL-SNVBAGLBSA-N	-1	0	311.338	0.823	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2cc(C(=O)[O-])oc2C)c1=O	ZINC001597870465	989675193	/nfs/dbraw/zinc/67/51/93/989675193.db2.gz	LVTXIJNAQOJECC-UHFFFAOYSA-N	-1	0	303.274	0.550	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001590615352	990290376	/nfs/dbraw/zinc/29/03/76/990290376.db2.gz	TUELOZWUIHAJQI-ZBEGNZNMSA-N	-1	0	321.377	0.756	20	30		DCEDRM
CC(C)(NS(=O)(=O)c1cccc(CC#N)c1)[C@H](O)C(=O)[O-]	ZINC001590879871	990795952	/nfs/dbraw/zinc/79/59/52/990795952.db2.gz	SRJGSGJZEHVSMT-LLVKDONJSA-N	-1	0	312.347	0.255	20	30		DCEDRM
CC(C)C#CC(=O)NCC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001590928099	990938717	/nfs/dbraw/zinc/93/87/17/990938717.db2.gz	RVFLZNOHQJQHGX-KGLIPLIRSA-N	-1	0	320.389	0.721	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001590961136	991055531	/nfs/dbraw/zinc/05/55/31/991055531.db2.gz	LTCQSCAZBLCBGI-HNNXBMFYSA-N	-1	0	316.317	0.473	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(C(=O)[O-])cn1	ZINC001590961474	991058958	/nfs/dbraw/zinc/05/89/58/991058958.db2.gz	RKIOVLYJQHDZJU-OAHLLOKOSA-N	-1	0	319.317	0.991	20	30		DCEDRM
COc1ccccc1CNC(=O)CN(CC#N)CCC(=O)[O-]	ZINC001599712193	991390802	/nfs/dbraw/zinc/39/08/02/991390802.db2.gz	YCLYIAXVHPQZMQ-UHFFFAOYSA-N	-1	0	305.334	0.612	20	30		DCEDRM
CN(CC(=O)N(CC#N)CCC(=O)[O-])C(=O)c1cccs1	ZINC001598379122	991572232	/nfs/dbraw/zinc/57/22/32/991572232.db2.gz	MAADAJUGLHFHKY-UHFFFAOYSA-N	-1	0	309.347	0.647	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)COC(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001591173214	991963802	/nfs/dbraw/zinc/96/38/02/991963802.db2.gz	DURNACZIVXXFEL-SNVBAGLBSA-N	-1	0	308.290	0.924	20	30		DCEDRM
CS(=O)(=O)CCNN=Cc1cc(C(=O)[O-])c2n1CCCC2	ZINC001599751383	991996415	/nfs/dbraw/zinc/99/64/15/991996415.db2.gz	JBQWQZKMOVQLJJ-UHFFFAOYSA-N	-1	0	313.379	0.491	20	30		DCEDRM
CS(=O)(=O)c1ccc(C(=O)N(CC#N)CCC(=O)[O-])o1	ZINC001599767237	992197050	/nfs/dbraw/zinc/19/70/50/992197050.db2.gz	ODWZJZMUZSXYBU-UHFFFAOYSA-N	-1	0	300.292	0.124	20	30		DCEDRM
CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)CC#N	ZINC001598646656	994382293	/nfs/dbraw/zinc/38/22/93/994382293.db2.gz	VLVLBBIYRUGKFI-VIFPVBQESA-N	-1	0	319.317	0.998	20	30		DCEDRM
CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CNC(=O)[O-])C2	ZINC001573384387	1163419603	/nfs/dbraw/zinc/41/96/03/1163419603.db2.gz	KYEICNVPEKAJFW-MRXNPFEDSA-N	-1	0	307.394	0.982	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001464397032	1015904550	/nfs/dbraw/zinc/90/45/50/1015904550.db2.gz	GTYXNOLSLUKXQC-SECBINFHSA-N	-1	0	301.306	0.498	20	30		DCEDRM
C[C@@](O)(CNc1cc(C#N)c(Br)cn1)C(=O)[O-]	ZINC001593416944	995201119	/nfs/dbraw/zinc/20/11/19/995201119.db2.gz	IRUOLHPGUKXIDG-SNVBAGLBSA-N	-1	0	300.112	0.963	20	30		DCEDRM
C[C@H](C#N)C(=O)N(C)C1CC(NC(=O)c2ncccc2O)C1	ZINC001396203943	995257755	/nfs/dbraw/zinc/25/77/55/995257755.db2.gz	CICUHHIYTXGZHW-KPPDAEKUSA-N	-1	0	302.334	0.666	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001598713485	995375951	/nfs/dbraw/zinc/37/59/51/995375951.db2.gz	OZQXMPFCYYVIEX-DDTOSNHZSA-N	-1	0	318.329	0.946	20	30		DCEDRM
COC(=O)[C@@H](N[C@@H]1CCO[C@@H]1C(=O)[O-])c1cccc(C#N)c1	ZINC001598713922	995381554	/nfs/dbraw/zinc/38/15/54/995381554.db2.gz	PSUAALGMJPCXLB-AGIUHOORSA-N	-1	0	304.302	0.604	20	30		DCEDRM
C[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(=O)NC1(C#N)CCC1	ZINC001593547229	995622502	/nfs/dbraw/zinc/62/25/02/995622502.db2.gz	KUILSLSAXXQCPW-AXFHLTTASA-N	-1	0	308.334	0.981	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cccc(C(=O)[O-])c2C#N)C1	ZINC001598759874	995764702	/nfs/dbraw/zinc/76/47/02/995764702.db2.gz	YFTMPTZZLCXQRW-VXGBXAGGSA-N	-1	0	318.329	0.612	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCC1N=NC(=S)N1C	ZINC001464964516	1015974997	/nfs/dbraw/zinc/97/49/97/1015974997.db2.gz	SUQUXELSMLAHNV-UHFFFAOYSA-N	-1	0	318.362	0.357	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	ZINC001593612305	995814695	/nfs/dbraw/zinc/81/46/95/995814695.db2.gz	OSGBCORTXLIIND-CCUNJIBTSA-N	-1	0	304.302	0.420	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(C#N)n1C	ZINC001598768591	995861005	/nfs/dbraw/zinc/86/10/05/995861005.db2.gz	MGXDFOMOSLBJSC-BXKDBHETSA-N	-1	0	319.317	0.375	20	30		DCEDRM
C[C@@H](c1ncc(C(=O)[O-])s1)N1CCN(C(=O)CC#N)CC1	ZINC001593737239	996333697	/nfs/dbraw/zinc/33/36/97/996333697.db2.gz	LIHWWOCNBZPDIV-VIFPVBQESA-N	-1	0	308.363	0.960	20	30		DCEDRM
C[C@@]1(CCC(=O)[O-])NC(=O)N(CN2CCC[C@](C)(C#N)C2)C1=O	ZINC001593742847	996363404	/nfs/dbraw/zinc/36/34/04/996363404.db2.gz	HDUOYJDMTYDEFU-CABCVRRESA-N	-1	0	322.365	0.745	20	30		DCEDRM
CC1(C#N)CN(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1	ZINC001593743124	996365476	/nfs/dbraw/zinc/36/54/76/996365476.db2.gz	KDWGKZBWTNHUEE-UHFFFAOYSA-N	-1	0	316.317	0.878	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1C(=O)[O-]	ZINC001598826912	996393320	/nfs/dbraw/zinc/39/33/20/996393320.db2.gz	KFEQOWNEMFYUBU-PHDIDXHHSA-N	-1	0	315.738	0.978	20	30		DCEDRM
CC1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCOCC1	ZINC001466132323	1016054868	/nfs/dbraw/zinc/05/48/68/1016054868.db2.gz	JSHZSEDALSBQSR-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
COCc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C#N	ZINC001599290514	997056220	/nfs/dbraw/zinc/05/62/20/997056220.db2.gz	BWMAJVVOMWKQAX-VIFPVBQESA-N	-1	0	312.347	0.969	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)Nc1nc(Cl)c(C#N)s1	ZINC001466806362	1016113092	/nfs/dbraw/zinc/11/30/92/1016113092.db2.gz	RFRHVRNRYLWTSH-UHFFFAOYSA-N	-1	0	303.731	0.857	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])n(CN2CCC[C@@](C)(C#N)C2)n1	ZINC001598921951	997583521	/nfs/dbraw/zinc/58/35/21/997583521.db2.gz	JVQCTOKZBSFLJR-AWEZNQCLSA-N	-1	0	306.322	0.951	20	30		DCEDRM
COc1cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)nn1C	ZINC001599436188	997851133	/nfs/dbraw/zinc/85/11/33/997851133.db2.gz	XBZOJPCKUXGONJ-UHFFFAOYSA-N	-1	0	307.310	0.651	20	30		DCEDRM
COCCN(CC#N)C1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001599231909	997875303	/nfs/dbraw/zinc/87/53/03/997875303.db2.gz	YXVBCKZMJIYUOL-QWHCGFSZSA-N	-1	0	309.366	0.170	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001599235588	997939310	/nfs/dbraw/zinc/93/93/10/997939310.db2.gz	FFBSJOZVRVZAOG-NWDGAFQWSA-N	-1	0	318.395	0.822	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@@H]1C	ZINC001511159271	1016195126	/nfs/dbraw/zinc/19/51/26/1016195126.db2.gz	JSVVUQJYVCKUTF-VXGBXAGGSA-N	-1	0	318.377	0.946	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC001594140648	998435248	/nfs/dbraw/zinc/43/52/48/998435248.db2.gz	GCIZIJXIHHVVGZ-LDYMZIIASA-N	-1	0	319.292	0.957	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001511233222	1016225367	/nfs/dbraw/zinc/22/53/67/1016225367.db2.gz	BMJIPIBIWPQTTH-ZYHUDNBSSA-N	-1	0	318.377	0.946	20	30		DCEDRM
CC[C@H](C)C[C@@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001469030225	1016300648	/nfs/dbraw/zinc/30/06/48/1016300648.db2.gz	OREXINYZVFJTGP-WDEREUQCSA-N	-1	0	321.381	0.944	20	30		DCEDRM
CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](O)CC(=O)[O-])c1	ZINC001573659336	1163523992	/nfs/dbraw/zinc/52/39/92/1163523992.db2.gz	CMYGZDKBBBOLNN-WCQYABFASA-N	-1	0	306.318	0.819	20	30		DCEDRM
CCCc1occc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001418536747	1000323458	/nfs/dbraw/zinc/32/34/58/1000323458.db2.gz	SCTDTXNUTDQCGB-UHFFFAOYSA-N	-1	0	316.317	0.796	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c(=O)[n-]c1=O	ZINC001418545153	1000333901	/nfs/dbraw/zinc/33/39/01/1000333901.db2.gz	KNOXXZIWWZTHLX-MXWKQRLJSA-N	-1	0	302.334	0.373	20	30		DCEDRM
C[C@]1(C#N)CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1	ZINC001418548174	1000336475	/nfs/dbraw/zinc/33/64/75/1000336475.db2.gz	ZCSOJQCDRUAWLJ-OAHLLOKOSA-N	-1	0	313.317	0.642	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001419042163	1000715405	/nfs/dbraw/zinc/71/54/05/1000715405.db2.gz	IXCJTSMMULXWLD-CMPLNLGQSA-N	-1	0	312.333	0.855	20	30		DCEDRM
CC(C)CN(Cc1nnn[n-]1)C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC001419134168	1000805540	/nfs/dbraw/zinc/80/55/40/1000805540.db2.gz	FICKNKBHDYORKI-AWEZNQCLSA-N	-1	0	314.349	0.790	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2C[C@H]2C2CCCC2)c(=O)[n-]c1=O	ZINC001420697495	1002814534	/nfs/dbraw/zinc/81/45/34/1002814534.db2.gz	WRVVACCASIMAFM-AAEUAGOBSA-N	-1	0	316.361	0.763	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C2CC(NC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001405818929	1003106477	/nfs/dbraw/zinc/10/64/77/1003106477.db2.gz	XRJHCKUICVFBBX-CUUXFQNZSA-N	-1	0	305.338	0.303	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001428372775	1003899019	/nfs/dbraw/zinc/89/90/19/1003899019.db2.gz	YFGZIFYDBHUKHA-ONGXEEELSA-N	-1	0	319.365	0.552	20	30		DCEDRM
Cn1c(=O)[n-]c(N(CCCO)Cc2ccccc2)c(C#N)c1=O	ZINC001472728441	1016848890	/nfs/dbraw/zinc/84/88/90/1016848890.db2.gz	JSZOAJSMEOBBPY-UHFFFAOYSA-N	-1	0	314.345	0.334	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)c1[O-]	ZINC001427126517	1004221167	/nfs/dbraw/zinc/22/11/67/1004221167.db2.gz	BOYMHZJAWUEQJH-WPRPVWTQSA-N	-1	0	319.365	0.550	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@@H](c3ccc(O)cc3)C2)c(C#N)c1=O	ZINC001472845243	1016860190	/nfs/dbraw/zinc/86/01/90/1016860190.db2.gz	PIAKLEZCMQLNSF-LLVKDONJSA-N	-1	0	312.329	0.645	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2cc(=O)[nH]c(-c3ccccc3)n2)c1=O	ZINC001473047806	1016903964	/nfs/dbraw/zinc/90/39/64/1016903964.db2.gz	KVMUFWZWHYKTFR-UHFFFAOYSA-N	-1	0	321.296	0.619	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]Cc2cncc(C#N)c2)on1	ZINC001414344234	1005293442	/nfs/dbraw/zinc/29/34/42/1005293442.db2.gz	YJSDHASBVCCNOW-UHFFFAOYSA-N	-1	0	322.302	0.206	20	30		DCEDRM
CC1(C)C[C@@]1(C)CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001414724443	1005390653	/nfs/dbraw/zinc/39/06/53/1005390653.db2.gz	GYZWVFCXKBHFHU-HNNXBMFYSA-N	-1	0	319.365	0.556	20	30		DCEDRM
CC(C)(C)C[C@@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417686353	1005868158	/nfs/dbraw/zinc/86/81/58/1005868158.db2.gz	GERXCWFWURKCND-NSHDSACASA-N	-1	0	322.365	0.124	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCc2nnnn2CC1	ZINC001418053820	1005984184	/nfs/dbraw/zinc/98/41/84/1005984184.db2.gz	CRQSVBIVJNNDKC-JTQLQIEISA-N	-1	0	313.321	0.089	20	30		DCEDRM
CC[C@H](C)C[C@@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001418163972	1006119331	/nfs/dbraw/zinc/11/93/31/1006119331.db2.gz	PSVAQPCURUJPLD-JQWIXIFHSA-N	-1	0	322.365	0.124	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](CC(C)C)NC(=O)[C@@H](C)C#N)c1[O-]	ZINC001451761234	1006396202	/nfs/dbraw/zinc/39/62/02/1006396202.db2.gz	VOVOSDUHMBSSIX-ONGXEEELSA-N	-1	0	321.381	0.844	20	30		DCEDRM
C=CC[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)OCC	ZINC001475185220	1017073971	/nfs/dbraw/zinc/07/39/71/1017073971.db2.gz	OZGXYOYSDGWPKS-SNVBAGLBSA-N	-1	0	324.424	0.590	20	30		DCEDRM
CC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCCCC1	ZINC001453841233	1008752007	/nfs/dbraw/zinc/75/20/07/1008752007.db2.gz	IJUCQHNARYLPKT-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
CNC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001421612470	1008803848	/nfs/dbraw/zinc/80/38/48/1008803848.db2.gz	FVJDRNPDAONODK-LBPRGKRZSA-N	-1	0	314.349	0.407	20	30		DCEDRM
Cc1nc2n(n1)C[C@@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)CC2	ZINC001433656700	1009034570	/nfs/dbraw/zinc/03/45/70/1009034570.db2.gz	PFXDWCDDHWIKMU-NSHDSACASA-N	-1	0	312.333	0.612	20	30		DCEDRM
C[C@H]1N(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCOC1(C)C	ZINC001433789530	1009180677	/nfs/dbraw/zinc/18/06/77/1009180677.db2.gz	JIDDTAFQQLFPKH-SNVBAGLBSA-N	-1	0	320.349	0.237	20	30		DCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1(C#N)CCC1	ZINC001442426286	1009307720	/nfs/dbraw/zinc/30/77/20/1009307720.db2.gz	GDEBHEDLQTXOTB-UHFFFAOYSA-N	-1	0	301.306	0.115	20	30		DCEDRM
CCO[C@@H]1COCC[C@H]1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001433898964	1009323206	/nfs/dbraw/zinc/32/32/06/1009323206.db2.gz	UXDKVOSUCVPMPA-VXGBXAGGSA-N	-1	0	305.334	0.891	20	30		DCEDRM
N#Cc1cnc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)c(Cl)c1	ZINC001455132527	1009510111	/nfs/dbraw/zinc/51/01/11/1009510111.db2.gz	NAMCMQMCHGAARF-QMMMGPOBSA-N	-1	0	303.713	0.749	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)cc1O	ZINC001434279103	1009716956	/nfs/dbraw/zinc/71/69/56/1009716956.db2.gz	RWDGTHFRZSFHPG-DZGCQCFKSA-N	-1	0	313.313	0.483	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCN(C)[C@H](CO)C2)cc1C#N	ZINC001434280525	1009719898	/nfs/dbraw/zinc/71/98/98/1009719898.db2.gz	WVCOPGLMNFVKGT-JTQLQIEISA-N	-1	0	322.390	0.129	20	30		DCEDRM
COC(=O)N1CCCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001442872549	1009866722	/nfs/dbraw/zinc/86/67/22/1009866722.db2.gz	HDRFAFHHJWJOFU-UHFFFAOYSA-N	-1	0	318.333	0.882	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2cnn(C[C@H]3CCCO3)c2)c(C#N)c1=O	ZINC001434440632	1009959187	/nfs/dbraw/zinc/95/91/87/1009959187.db2.gz	HGXNKEMKYMDUKS-SNVBAGLBSA-N	-1	0	316.321	0.064	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](CO)Cc2ccc(F)cc2)c(C#N)c1=O	ZINC001434446499	1009964747	/nfs/dbraw/zinc/96/47/47/1009964747.db2.gz	ZMCGKGQGSRMICW-LLVKDONJSA-N	-1	0	318.308	0.100	20	30		DCEDRM
CC[C@@H](C)C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC	ZINC001434449352	1009966601	/nfs/dbraw/zinc/96/66/01/1009966601.db2.gz	UKXNSOVOVBBLFG-SCZZXKLOSA-N	-1	0	308.338	0.335	20	30		DCEDRM
C[C@@H](CC#N)N(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001443567516	1010498357	/nfs/dbraw/zinc/49/83/57/1010498357.db2.gz	HPDHHLXKFQZKRJ-VIFPVBQESA-N	-1	0	301.306	0.640	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2([C@@H]3CCCO3)CCC2)c(=O)[n-]c1=O	ZINC001457223878	1011613168	/nfs/dbraw/zinc/61/31/68/1011613168.db2.gz	XZCSENDCSQCDLE-NSHDSACASA-N	-1	0	318.333	0.038	20	30		DCEDRM
Cc1cc(Cl)ncc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001545781322	1011854426	/nfs/dbraw/zinc/85/44/26/1011854426.db2.gz	AOXALUGIRLUJQX-UHFFFAOYSA-N	-1	0	319.708	0.816	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc2c1COCC2	ZINC001515188575	1017105107	/nfs/dbraw/zinc/10/51/07/1017105107.db2.gz	IMABNMVMZPKXSM-CYBMUJFWSA-N	-1	0	302.330	0.844	20	30		DCEDRM
COCC#CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C	ZINC001557252388	1012270360	/nfs/dbraw/zinc/27/03/60/1012270360.db2.gz	WRNFCVHFYODFTM-UWVGGRQHSA-N	-1	0	306.284	0.694	20	30		DCEDRM
COC(=O)c1cn(CC(=O)[N-]Oc2cccc(C#N)c2)nn1	ZINC001557921482	1012306497	/nfs/dbraw/zinc/30/64/97/1012306497.db2.gz	YETPTHPEGNKQHA-UHFFFAOYSA-N	-1	0	301.262	0.047	20	30		DCEDRM
N#CC1(NC(=O)CN2CCC[C@H](c3n[n-]c(=O)o3)C2)CCC1	ZINC001559799089	1012430455	/nfs/dbraw/zinc/43/04/55/1012430455.db2.gz	MOXLBCHXHRKGOH-JTQLQIEISA-N	-1	0	305.338	0.517	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCN1CCOCC1	ZINC001540401155	1012453686	/nfs/dbraw/zinc/45/36/86/1012453686.db2.gz	FAYSOFIZHDKFCL-UHFFFAOYSA-N	-1	0	304.350	0.419	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C1	ZINC001561993868	1012486445	/nfs/dbraw/zinc/48/64/45/1012486445.db2.gz	YQKPQBCEOZIJAJ-UHFFFAOYSA-N	-1	0	321.276	0.780	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CCOC3(CCC3)C2)c(=O)[n-]c1=O	ZINC001446011717	1012515253	/nfs/dbraw/zinc/51/52/53/1012515253.db2.gz	ZHCZNSXANSJWKC-LLVKDONJSA-N	-1	0	318.333	0.038	20	30		DCEDRM
N#Cc1ccc(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)cc1	ZINC001544236939	1012538444	/nfs/dbraw/zinc/53/84/44/1012538444.db2.gz	RKSBCFTYPLJTJA-UHFFFAOYSA-N	-1	0	319.328	0.877	20	30		DCEDRM
COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001459796658	1012829514	/nfs/dbraw/zinc/82/95/14/1012829514.db2.gz	LAGPNPGVZWTUDT-LBPRGKRZSA-N	-1	0	315.333	0.834	20	30		DCEDRM
C#C[C@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC(=C)C)C1	ZINC001515805277	1017134533	/nfs/dbraw/zinc/13/45/33/1017134533.db2.gz	UXBHIRPDBKZVTH-LBPRGKRZSA-N	-1	0	312.377	0.928	20	30		DCEDRM
CC(C)C#CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1	ZINC001479665867	1017642982	/nfs/dbraw/zinc/64/29/82/1017642982.db2.gz	FPWNEAUQODZCJC-OLZOCXBDSA-N	-1	0	317.393	0.450	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001499027619	1019662930	/nfs/dbraw/zinc/66/29/30/1019662930.db2.gz	DANJABNPQKASRP-NHYWBVRUSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001499027621	1019663714	/nfs/dbraw/zinc/66/37/14/1019663714.db2.gz	DANJABNPQKASRP-XHDPSFHLSA-N	-1	0	323.397	0.430	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCC2(CC(N)=O)CC2)CC1	ZINC001608171288	1170608573	/nfs/dbraw/zinc/60/85/73/1170608573.db2.gz	IRBQTHWHMVLQJJ-UHFFFAOYSA-N	-1	0	308.338	0.042	20	30		DCEDRM
CC[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001609920570	1171121676	/nfs/dbraw/zinc/12/16/76/1171121676.db2.gz	FEJCBHMXOSOVEG-TWLKNAOBSA-N	-1	0	309.322	0.130	20	30		DCEDRM
CO[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C(=O)[O-])C1	ZINC001610237934	1171203685	/nfs/dbraw/zinc/20/36/85/1171203685.db2.gz	QRTFMOJJSHGMPW-XUJVJEKNSA-N	-1	0	311.382	0.605	20	30		DCEDRM
CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](COC)c1nnn[n-]1	ZINC001634621982	1171680376	/nfs/dbraw/zinc/68/03/76/1171680376.db2.gz	LIQZMVZODWNKOP-WDEREUQCSA-N	-1	0	312.374	0.975	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-]	ZINC000275084173	212111758	/nfs/dbraw/zinc/11/17/58/212111758.db2.gz	ZHNPOKOBAZXPTI-ZETCQYMHSA-N	-1	0	305.743	0.218	20	30		DCEDRM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCn1ccnc1	ZINC000156172048	291223968	/nfs/dbraw/zinc/22/39/68/291223968.db2.gz	QRZYAVMSHWNBGL-UHFFFAOYSA-N	-1	0	321.318	0.641	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000263174793	238185440	/nfs/dbraw/zinc/18/54/40/238185440.db2.gz	JRSPLKXHARZKSS-GMTAPVOTSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1	ZINC000422688314	240176863	/nfs/dbraw/zinc/17/68/63/240176863.db2.gz	MRIMXCLMJXJAGE-HNNXBMFYSA-N	-1	0	301.302	0.820	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O	ZINC000567860403	291385232	/nfs/dbraw/zinc/38/52/32/291385232.db2.gz	LBLQSTPFYHGFEE-UHFFFAOYSA-N	-1	0	310.313	0.536	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000275021498	212078109	/nfs/dbraw/zinc/07/81/09/212078109.db2.gz	OUOVXAUVHKULEI-NSHDSACASA-N	-1	0	312.303	0.740	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)NCCSCC(=O)[O-])c1	ZINC000274924152	212036125	/nfs/dbraw/zinc/03/61/25/212036125.db2.gz	BHNQSYDPVHWESS-UHFFFAOYSA-N	-1	0	314.388	0.795	20	30		DCEDRM
C=CC[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1ccccc1	ZINC000193009544	335040664	/nfs/dbraw/zinc/04/06/64/335040664.db2.gz	GAUSTSLRWYTCBZ-ZDUSSCGKSA-N	-1	0	324.402	0.928	20	30		DCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)nc1	ZINC000339134502	253034556	/nfs/dbraw/zinc/03/45/56/253034556.db2.gz	DYNWBTNLRACZBI-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)cn1	ZINC000351699633	254359671	/nfs/dbraw/zinc/35/96/71/254359671.db2.gz	LZECZESZWWDAMJ-UHFFFAOYSA-N	-1	0	321.318	0.572	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)o1	ZINC000351700282	254359818	/nfs/dbraw/zinc/35/98/18/254359818.db2.gz	QJGKMSNECVCDLN-UHFFFAOYSA-N	-1	0	310.291	0.770	20	30		DCEDRM
CCNC(=O)NCCNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000351828285	254372853	/nfs/dbraw/zinc/37/28/53/254372853.db2.gz	WURXOIPJEWEUIF-UHFFFAOYSA-N	-1	0	323.378	0.430	20	30		DCEDRM
N#Cc1nc(NC(=O)CNC(=O)CC2CCCC2)[n-]c1C#N	ZINC000101638716	395766115	/nfs/dbraw/zinc/76/61/15/395766115.db2.gz	LEHSECKAWWTGEN-UHFFFAOYSA-N	-1	0	300.322	0.788	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@H]1C#N	ZINC000273741207	395937756	/nfs/dbraw/zinc/93/77/56/395937756.db2.gz	ORSBHKDARXLAIN-LLVKDONJSA-N	-1	0	310.331	0.606	20	30		DCEDRM
CSCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000594670793	396496197	/nfs/dbraw/zinc/49/61/97/396496197.db2.gz	MAZQKKBPILGUCE-UHFFFAOYSA-N	-1	0	315.376	0.392	20	30		DCEDRM
Cc1nsc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1C#N	ZINC000594697704	396497974	/nfs/dbraw/zinc/49/79/74/396497974.db2.gz	RDXPSWJHZMAZGK-AMIZOPFISA-N	-1	0	322.346	0.888	20	30		DCEDRM
CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)C(=O)[O-]	ZINC000594531622	396485068	/nfs/dbraw/zinc/48/50/68/396485068.db2.gz	UKSWJPYHMJWTAN-JTQLQIEISA-N	-1	0	304.306	0.365	20	30		DCEDRM
C[C@H](CC1CCN(S(=O)(=O)N(C)CCC#N)CC1)C(=O)[O-]	ZINC000594573318	396487898	/nfs/dbraw/zinc/48/78/98/396487898.db2.gz	LBVLWOVPZKNCBU-LLVKDONJSA-N	-1	0	317.411	0.899	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000595237951	396567879	/nfs/dbraw/zinc/56/78/79/396567879.db2.gz	LKFCLXUCVNIVPL-SECBINFHSA-N	-1	0	304.306	0.726	20	30		DCEDRM
CC(C)N(CCC#N)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000595238396	396568332	/nfs/dbraw/zinc/56/83/32/396568332.db2.gz	ROCLMEYDCWXCKI-UHFFFAOYSA-N	-1	0	304.306	0.869	20	30		DCEDRM
CC(C)C[C@H](CNC(=O)NCCn1cnc(C#N)n1)CC(=O)[O-]	ZINC000595262189	396574061	/nfs/dbraw/zinc/57/40/61/396574061.db2.gz	DFYMNXQPDSYNBO-NSHDSACASA-N	-1	0	322.369	0.586	20	30		DCEDRM
C=CCCSCCNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000595275501	396576432	/nfs/dbraw/zinc/57/64/32/396576432.db2.gz	FQYLZHVIXGKNSF-SNVBAGLBSA-N	-1	0	302.396	0.591	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000558592317	396611840	/nfs/dbraw/zinc/61/18/40/396611840.db2.gz	LMLVRHRVNSUDKS-LURJTMIESA-N	-1	0	303.262	0.072	20	30		DCEDRM
N#Cc1ccc(CCN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1	ZINC000595879335	396674496	/nfs/dbraw/zinc/67/44/96/396674496.db2.gz	RIEFKXOBJLVGCV-ZDUSSCGKSA-N	-1	0	308.359	0.284	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000596022630	396709580	/nfs/dbraw/zinc/70/95/80/396709580.db2.gz	GXJIIURDYXCWHX-ONGXEEELSA-N	-1	0	303.384	0.413	20	30		DCEDRM
Cn1cccc(N=C([O-])N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1=O	ZINC000329021413	396836053	/nfs/dbraw/zinc/83/60/53/396836053.db2.gz	MDXXOMNDHUQXHW-MRVWCRGKSA-N	-1	0	321.377	0.793	20	30		DCEDRM
CO[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)[C@@](C)(C(=O)[O-])C1	ZINC000600658595	396908285	/nfs/dbraw/zinc/90/82/85/396908285.db2.gz	LCJFWDCZAJGAJQ-SMDDNHRTSA-N	-1	0	324.358	0.811	20	30		DCEDRM
C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1cccc(C#N)c1	ZINC000591459246	396924011	/nfs/dbraw/zinc/92/40/11/396924011.db2.gz	SWVSCCQLMUILSD-GXFFZTMASA-N	-1	0	315.329	0.669	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)o1	ZINC000376669805	396961078	/nfs/dbraw/zinc/96/10/78/396961078.db2.gz	DRNUABZPVIJIJY-UHFFFAOYSA-N	-1	0	300.292	0.063	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-]	ZINC000630318621	396984664	/nfs/dbraw/zinc/98/46/64/396984664.db2.gz	KKNVPOKDCZZCOC-GFCCVEGCSA-N	-1	0	316.317	0.327	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CNC(=O)c1ccc(OC)cc1)C(=O)[O-]	ZINC000630319693	396984807	/nfs/dbraw/zinc/98/48/07/396984807.db2.gz	FYUFENKLIBSVGZ-ZDUSSCGKSA-N	-1	0	320.345	0.961	20	30		DCEDRM
C[C@H]([C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-])C1CC1	ZINC000572569629	397072834	/nfs/dbraw/zinc/07/28/34/397072834.db2.gz	PZCPRDRZKNPVJK-UFBFGSQYSA-N	-1	0	309.347	0.731	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)CCC(C)(F)F)C(=O)OC	ZINC000601409177	397105829	/nfs/dbraw/zinc/10/58/29/397105829.db2.gz	ZGQZNNAREGMSPU-VIFPVBQESA-N	-1	0	315.338	0.695	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c1C#N	ZINC000619708752	397178234	/nfs/dbraw/zinc/17/82/34/397178234.db2.gz	HTLAMSNQAVNSNN-ZDUSSCGKSA-N	-1	0	310.331	0.389	20	30		DCEDRM
Cc1cccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)c1C#N	ZINC000619708976	397178584	/nfs/dbraw/zinc/17/85/84/397178584.db2.gz	IIBOPOSFPPRDPL-UHFFFAOYSA-N	-1	0	324.358	0.779	20	30		DCEDRM
N#CC1CCC(CNC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC000592440009	397179613	/nfs/dbraw/zinc/17/96/13/397179613.db2.gz	DXZCXLWZXSJEPM-TUUUFIMRSA-N	-1	0	321.377	0.802	20	30		DCEDRM
CC[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC)C(=O)[O-]	ZINC000592425043	397172369	/nfs/dbraw/zinc/17/23/69/397172369.db2.gz	RRRVUMAHKUMABB-VIFPVBQESA-N	-1	0	305.290	0.485	20	30		DCEDRM
N#Cc1cn(CC(=O)N(C2CC2)C2CCCC2)c(=O)[n-]c1=O	ZINC000602092540	397298360	/nfs/dbraw/zinc/29/83/60/397298360.db2.gz	XJDIHGNMZWSEAN-UHFFFAOYSA-N	-1	0	302.334	0.754	20	30		DCEDRM
C=CC1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602097460	397299501	/nfs/dbraw/zinc/29/95/01/397299501.db2.gz	ONRDXHJTILRXNX-UHFFFAOYSA-N	-1	0	302.334	0.635	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CC[C@@H]3CCC[C@@H]32)c(=O)[n-]c1=O	ZINC000602139912	397317269	/nfs/dbraw/zinc/31/72/69/397317269.db2.gz	NWNCADGROQMIOP-JQWIXIFHSA-N	-1	0	302.334	0.612	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2C[C@@H]3CCC[C@H]3C2)c(=O)[n-]c1=O	ZINC000602120991	397309309	/nfs/dbraw/zinc/30/93/09/397309309.db2.gz	UVXVROZAOCJMRQ-QWRGUYRKSA-N	-1	0	302.334	0.469	20	30		DCEDRM
CCCSC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000593254624	397341509	/nfs/dbraw/zinc/34/15/09/397341509.db2.gz	PQETUJZUEQFCJL-NXEZZACHSA-N	-1	0	323.440	0.509	20	30		DCEDRM
C[C@H](CSCCNS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000593274675	397347360	/nfs/dbraw/zinc/34/73/60/397347360.db2.gz	USXOPNVWMMDYKE-ZJUUUORDSA-N	-1	0	323.440	0.509	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCSC[C@@H]2C2CC2)c(=O)[n-]c1=O	ZINC000602161342	397328721	/nfs/dbraw/zinc/32/87/21/397328721.db2.gz	SXUHVLKZPXKSKJ-LLVKDONJSA-N	-1	0	320.374	0.175	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000614316352	397420641	/nfs/dbraw/zinc/42/06/41/397420641.db2.gz	PQQTYMPEUWZXBJ-SSDOTTSWSA-N	-1	0	318.311	0.119	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599322994	397405565	/nfs/dbraw/zinc/40/55/65/397405565.db2.gz	XMFVXOARLIQKRA-APPZFPTMSA-N	-1	0	302.308	0.083	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)C(=O)[O-]	ZINC000578208061	397407430	/nfs/dbraw/zinc/40/74/30/397407430.db2.gz	QTYRHCZJVMUBHF-FRRDWIJNSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CCO[C@@H](C2CC2)C1)C(=O)[O-]	ZINC000578208062	397407628	/nfs/dbraw/zinc/40/76/28/397407628.db2.gz	QTYRHCZJVMUBHF-RWMBFGLXSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C[C@@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@@H](C(=O)[O-])C1	ZINC000290653685	296562392	/nfs/dbraw/zinc/56/23/92/296562392.db2.gz	NFBAFEWZOLZYGF-BXKDBHETSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)NCC2(CC#N)CC2)cn1	ZINC000599874546	397533782	/nfs/dbraw/zinc/53/37/82/397533782.db2.gz	WDXJICKDJMOOKI-UHFFFAOYSA-N	-1	0	308.363	0.877	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H](CC(=O)[O-])c1cccs1	ZINC000603555879	397616319	/nfs/dbraw/zinc/61/63/19/397616319.db2.gz	AOVMGVUUEDQCBE-VIFPVBQESA-N	-1	0	317.392	0.944	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	ZINC000317457632	159005747	/nfs/dbraw/zinc/00/57/47/159005747.db2.gz	USKYAIJQTOQJNY-UHFFFAOYSA-N	-1	0	324.358	0.779	20	30		DCEDRM
C[C@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000408486901	160118232	/nfs/dbraw/zinc/11/82/32/160118232.db2.gz	KKRLVNQKMLBWFF-TVQRCGJNSA-N	-1	0	321.358	0.763	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@]23CCOC3)c1	ZINC000408484183	160118431	/nfs/dbraw/zinc/11/84/31/160118431.db2.gz	DHTWWRXXNXIRFF-DGCLKSJQSA-N	-1	0	307.331	0.185	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@]23CCOC3)c1	ZINC000408484185	160118462	/nfs/dbraw/zinc/11/84/62/160118462.db2.gz	DHTWWRXXNXIRFF-YPMHNXCESA-N	-1	0	307.331	0.185	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCC1=O	ZINC000408488808	160119112	/nfs/dbraw/zinc/11/91/12/160119112.db2.gz	OKERXDSNYSGLJV-MWLCHTKSSA-N	-1	0	321.358	0.763	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000274930682	415362269	/nfs/dbraw/zinc/36/22/69/415362269.db2.gz	CKJRSHDZCNEGTH-LLVKDONJSA-N	-1	0	311.319	0.054	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000092463983	415540944	/nfs/dbraw/zinc/54/09/44/415540944.db2.gz	WYUQRXORSXXPPN-UHFFFAOYSA-N	-1	0	318.282	0.995	20	30		DCEDRM
CCOC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)C1	ZINC000287297092	415652217	/nfs/dbraw/zinc/65/22/17/415652217.db2.gz	JJYVDHIHLJXINI-SECBINFHSA-N	-1	0	313.335	0.660	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O	ZINC000291182626	415828833	/nfs/dbraw/zinc/82/88/33/415828833.db2.gz	FTHGDPCIBNXGHA-OAHLLOKOSA-N	-1	0	319.292	0.274	20	30		DCEDRM
O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCC#CCO	ZINC000293785642	415860556	/nfs/dbraw/zinc/86/05/56/415860556.db2.gz	BGVPTAVKGZJRHD-UHFFFAOYSA-N	-1	0	317.370	0.187	20	30		DCEDRM
Cc1nc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)ccc1C#N	ZINC000338119273	416046669	/nfs/dbraw/zinc/04/66/69/416046669.db2.gz	KYVZCUKPSHQQRJ-UHFFFAOYSA-N	-1	0	306.307	0.036	20	30		DCEDRM
CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)N=c2cn[n-]s2)C1	ZINC000329012260	416144647	/nfs/dbraw/zinc/14/46/47/416144647.db2.gz	DXRJKBDWDYTASL-SFYZADRCSA-N	-1	0	309.355	0.972	20	30		DCEDRM
Cn1cccc(N=C([O-])N2CC[C@@H](NC(=O)NC3CC3)C2)c1=O	ZINC000329562975	416176354	/nfs/dbraw/zinc/17/63/54/416176354.db2.gz	JSIFAJRXMYBTPG-LLVKDONJSA-N	-1	0	319.365	0.671	20	30		DCEDRM
CCCc1nc(=NC(=O)N(C)CCNC(=O)N(C)C)s[n-]1	ZINC000330831781	416242169	/nfs/dbraw/zinc/24/21/69/416242169.db2.gz	HHNBTIKDVNCMRR-UHFFFAOYSA-N	-1	0	314.415	0.852	20	30		DCEDRM
Cc1ccc(N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)nc1C#N	ZINC000416449844	416370129	/nfs/dbraw/zinc/37/01/29/416370129.db2.gz	WMKYOAFSSDSGJT-FZMZJTMJSA-N	-1	0	316.361	1.384	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1	ZINC000583945514	416488959	/nfs/dbraw/zinc/48/89/59/416488959.db2.gz	YMTQGNXNFXCLJB-AAEUAGOBSA-N	-1	0	324.358	0.404	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)C1CCCC1	ZINC000491405245	416597867	/nfs/dbraw/zinc/59/78/67/416597867.db2.gz	HQWSUORANVYDTR-CHWSQXEVSA-N	-1	0	320.389	0.960	20	30		DCEDRM
N#CCc1cccc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1	ZINC000424253521	416632553	/nfs/dbraw/zinc/63/25/53/416632553.db2.gz	XOBYWONXMKDOFY-LBPRGKRZSA-N	-1	0	322.342	0.076	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1[O-]	ZINC000611406380	416663323	/nfs/dbraw/zinc/66/33/23/416663323.db2.gz	SOMWBGPHLYXWLY-UHFFFAOYSA-N	-1	0	303.326	0.306	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(=O)[O-]	ZINC000555844740	416712501	/nfs/dbraw/zinc/71/25/01/416712501.db2.gz	HSRARJFSTVXJRD-XQHKEYJVSA-N	-1	0	324.377	0.899	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccco2)C(=O)[O-])o1	ZINC000558473998	416770030	/nfs/dbraw/zinc/77/00/30/416770030.db2.gz	CJHWBYXBSPYEOP-SNVBAGLBSA-N	-1	0	310.287	0.718	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H](CC)[C@H]1CCCO1)C(=O)[O-]	ZINC000562457309	416868624	/nfs/dbraw/zinc/86/86/24/416868624.db2.gz	HSYCCJXWDDJVSH-GRYCIOLGSA-N	-1	0	300.355	0.899	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1(C(=O)[O-])CCCC1	ZINC000563227360	416877105	/nfs/dbraw/zinc/87/71/05/416877105.db2.gz	SXVMRYSYBZOIHR-NSHDSACASA-N	-1	0	317.411	0.947	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(CC(=O)[O-])CC1	ZINC000518986547	416884371	/nfs/dbraw/zinc/88/43/71/416884371.db2.gz	RLHHXXNQMRTWQI-JTQLQIEISA-N	-1	0	303.384	0.509	20	30		DCEDRM
C[C@@H]1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@H]1C(=O)[O-]	ZINC000574813041	417487679	/nfs/dbraw/zinc/48/76/79/417487679.db2.gz	NPTKSKPWEVKBPY-GHMZBOCLSA-N	-1	0	305.338	1.371	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1C	ZINC000571527372	417449776	/nfs/dbraw/zinc/44/97/76/417449776.db2.gz	JINQRQWGXICSKB-VGMNWLOBSA-N	-1	0	307.397	0.171	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)[O-]	ZINC000574116040	417478235	/nfs/dbraw/zinc/47/82/35/417478235.db2.gz	RPRZSOPRHRSWBN-YFKTTZPYSA-N	-1	0	312.366	0.755	20	30		DCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1	ZINC000662905123	417946080	/nfs/dbraw/zinc/94/60/80/417946080.db2.gz	CTEHBBDVWKEOTF-RYUDHWBXSA-N	-1	0	310.350	0.113	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c(C(F)(F)F)cnn1C)C(=O)[O-]	ZINC000659157720	418066469	/nfs/dbraw/zinc/06/64/69/418066469.db2.gz	WWBZILJKQRHPMN-MRVPVSSYSA-N	-1	0	321.255	0.825	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659408353	418093303	/nfs/dbraw/zinc/09/33/03/418093303.db2.gz	QTYLVDJUUAVHMN-OZTPJHRESA-N	-1	0	310.350	0.320	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000659657626	418138917	/nfs/dbraw/zinc/13/89/17/418138917.db2.gz	GHFMHBZYSNFGAZ-UHFFFAOYSA-N	-1	0	312.366	0.409	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000656014321	418317344	/nfs/dbraw/zinc/31/73/44/418317344.db2.gz	SNKNTSONVIKVEO-LLVKDONJSA-N	-1	0	300.355	0.120	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cc(C)cc(C(N)=O)c1)C(=O)[O-]	ZINC000656512519	418359227	/nfs/dbraw/zinc/35/92/27/418359227.db2.gz	KOWHSGUHTADJSW-GFCCVEGCSA-N	-1	0	324.358	0.239	20	30		DCEDRM
C[C@@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)c1cccc(C#N)c1	ZINC000360149390	261798892	/nfs/dbraw/zinc/79/88/92/261798892.db2.gz	IJDPUHGEBIBEAB-MRVPVSSYSA-N	-1	0	319.346	0.822	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)c2cnnn2C)n1	ZINC001649788452	1173224518	/nfs/dbraw/zinc/22/45/18/1173224518.db2.gz	VBGKCOUGLGMQML-MRVPVSSYSA-N	-1	0	305.319	0.613	20	30		DCEDRM
Cn1nccc1/C=C\C(=O)[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000493618848	268135384	/nfs/dbraw/zinc/13/53/84/268135384.db2.gz	CDWXWKLTUTWGGY-HYXAFXHYSA-N	-1	0	317.330	0.205	20	30		DCEDRM
N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1COCCN1	ZINC000528056258	268160325	/nfs/dbraw/zinc/16/03/25/268160325.db2.gz	KRHTUSDHRSYHOG-SECBINFHSA-N	-1	0	315.782	0.478	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC000548200197	288120033	/nfs/dbraw/zinc/12/00/33/288120033.db2.gz	GLWAXAFUXURXGK-WCQYABFASA-N	-1	0	324.358	0.635	20	30		DCEDRM
CC(C)(C(=O)[O-])C1(O)CCN(S(=O)(=O)CCCC#N)CC1	ZINC000576958995	331859522	/nfs/dbraw/zinc/85/95/22/331859522.db2.gz	UPVSWELKFNNWKY-UHFFFAOYSA-N	-1	0	318.395	0.558	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC000518383436	332022723	/nfs/dbraw/zinc/02/27/23/332022723.db2.gz	KSOYHPGPUZGFDI-JQWIXIFHSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CC(=O)N(CC(C)C)C1)C(=O)[O-]	ZINC000560445047	332339870	/nfs/dbraw/zinc/33/98/70/332339870.db2.gz	LIJXQCHKQJMMLC-NWDGAFQWSA-N	-1	0	312.366	0.263	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCC[C@@]1(C)C(=O)[O-]	ZINC000565058480	332520376	/nfs/dbraw/zinc/52/03/76/332520376.db2.gz	XSNGPHUEMOWAOK-NTZNESFSSA-N	-1	0	317.411	0.946	20	30		DCEDRM
O=C(N=c1cn[n-]s1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000330017231	336106333	/nfs/dbraw/zinc/10/63/33/336106333.db2.gz	QSPUHENCXFHXGI-SECBINFHSA-N	-1	0	311.367	0.407	20	30		DCEDRM
Cc1ccc2ncc(/C([O-])=N/[C@@H]3CC[S@@](=O)C3)c(=O)n2c1	ZINC000330026731	336107304	/nfs/dbraw/zinc/10/73/04/336107304.db2.gz	LXHGRLCFPNTOKX-LADRHHBVSA-N	-1	0	305.359	0.829	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](O)C(F)(F)F	ZINC000332501829	336173382	/nfs/dbraw/zinc/17/33/82/336173382.db2.gz	IZDOLNKIQZDUHY-JGVFFNPUSA-N	-1	0	303.306	0.226	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccc(C)nc1)C(=O)[O-]	ZINC000584467979	337347392	/nfs/dbraw/zinc/34/73/92/337347392.db2.gz	RNGPWVWFKZUSKA-LLVKDONJSA-N	-1	0	300.336	0.324	20	30		DCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cnn(C)c1	ZINC000057118964	337855052	/nfs/dbraw/zinc/85/50/52/337855052.db2.gz	ZFXUZNTWGWLCSK-UHFFFAOYSA-N	-1	0	318.358	0.584	20	30		DCEDRM
CNS(=O)(=O)c1cc(C(=O)N[C@](C)(C#N)COC)c(C)o1	ZINC000433972275	338205823	/nfs/dbraw/zinc/20/58/23/338205823.db2.gz	PCJRIXCWYKZMON-GFCCVEGCSA-N	-1	0	315.351	0.155	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)OC	ZINC000436534113	338275699	/nfs/dbraw/zinc/27/56/99/338275699.db2.gz	KSGPSZUVLHTRAV-LLVKDONJSA-N	-1	0	324.289	0.774	20	30		DCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]nc1C	ZINC000490649182	339836460	/nfs/dbraw/zinc/83/64/60/339836460.db2.gz	FVRJVHRWVYAMHK-UHFFFAOYSA-N	-1	0	318.358	0.882	20	30		DCEDRM
C=CCCS(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000547897362	341239007	/nfs/dbraw/zinc/23/90/07/341239007.db2.gz	XXQYECBWBDWVOU-LLVKDONJSA-N	-1	0	301.368	0.159	20	30		DCEDRM
N#CCCCS(=O)(=O)NC[C@@H](Cc1ccccn1)C(=O)[O-]	ZINC000548533663	341265841	/nfs/dbraw/zinc/26/58/41/341265841.db2.gz	DAKODPSTTHCIEP-LLVKDONJSA-N	-1	0	311.363	0.548	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cnc(CC)s1)C(=O)[O-]	ZINC000567808301	341634505	/nfs/dbraw/zinc/63/45/05/341634505.db2.gz	LWIHIZYKOXHLIN-MRVPVSSYSA-N	-1	0	320.392	0.640	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-]	ZINC000576469711	341848014	/nfs/dbraw/zinc/84/80/14/341848014.db2.gz	RAQAXUOZHLEYPF-UTUOFQBUSA-N	-1	0	317.411	0.898	20	30		DCEDRM
C#CCN(C)C(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O	ZINC000276973052	526799126	/nfs/dbraw/zinc/79/91/26/526799126.db2.gz	QJEZQJVXEKWAMR-UHFFFAOYSA-N	-1	0	323.374	0.722	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CNC(=O)CC(C)(C)C)C(=O)[O-]	ZINC000263009576	526803462	/nfs/dbraw/zinc/80/34/62/526803462.db2.gz	MYXNTEVXFQWYTE-JTQLQIEISA-N	-1	0	300.355	0.311	20	30		DCEDRM
C=CCOC[C@H](NC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000262864594	526803700	/nfs/dbraw/zinc/80/37/00/526803700.db2.gz	AZEDSJJLAIKUOS-ZDUSSCGKSA-N	-1	0	304.302	0.709	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)[O-]	ZINC000262935737	526804527	/nfs/dbraw/zinc/80/45/27/526804527.db2.gz	HIHIVRGDXKHQPY-ZJUUUORDSA-N	-1	0	300.355	0.309	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnc2c(c1)c(C)nn2C)C(=O)[O-]	ZINC000262902164	526809491	/nfs/dbraw/zinc/80/94/91/526809491.db2.gz	DSHOGNLSOOGSBI-LBPRGKRZSA-N	-1	0	318.333	0.662	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000263004946	526959124	/nfs/dbraw/zinc/95/91/24/526959124.db2.gz	VSFANMGLDXCIEQ-PWSUYJOCSA-N	-1	0	306.318	0.961	20	30		DCEDRM
C=CCC[C@H](NC(=O)CS(=O)(=O)N(CC)CC)C(=O)[O-]	ZINC000262999255	527475480	/nfs/dbraw/zinc/47/54/80/527475480.db2.gz	WEYRILQHGLYSDB-JTQLQIEISA-N	-1	0	306.384	0.194	20	30		DCEDRM
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC(=O)[O-]	ZINC000818114244	596972840	/nfs/dbraw/zinc/97/28/40/596972840.db2.gz	ZXHWJZIORQMZKF-JTQLQIEISA-N	-1	0	318.337	0.043	20	30		DCEDRM
C#Cc1cccc(N(CC(=O)NC)C(=O)CSCC(=O)[O-])c1	ZINC000738467138	597090824	/nfs/dbraw/zinc/09/08/24/597090824.db2.gz	JKNXOTPTGGOGJL-UHFFFAOYSA-N	-1	0	320.370	0.565	20	30		DCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)[O-])cc1	ZINC000737494064	597497007	/nfs/dbraw/zinc/49/70/07/597497007.db2.gz	RXJJRMHUGVVERY-SECBINFHSA-N	-1	0	311.315	0.228	20	30		DCEDRM
Cc1nn(C)c(C)c1NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821209510	597614918	/nfs/dbraw/zinc/61/49/18/597614918.db2.gz	YAHNTKZPBYDCNQ-CQSZACIVSA-N	-1	0	322.321	0.523	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819954819	597625334	/nfs/dbraw/zinc/62/53/34/597625334.db2.gz	AWKDYJBILDLLLJ-KBPBESRZSA-N	-1	0	309.322	0.589	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccnc(-n2cccn2)c1	ZINC000819848534	597633775	/nfs/dbraw/zinc/63/37/75/597633775.db2.gz	SVOACCDTMKHCGQ-OAHLLOKOSA-N	-1	0	313.317	0.888	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCC(=O)N1CCCCCC1	ZINC000819832687	597640933	/nfs/dbraw/zinc/64/09/33/597640933.db2.gz	CLASANJVVDJUJZ-OAHLLOKOSA-N	-1	0	309.366	0.900	20	30		DCEDRM
CCOC(=O)N1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820369076	597641887	/nfs/dbraw/zinc/64/18/87/597641887.db2.gz	MYQXDFMDQOJORX-CQSZACIVSA-N	-1	0	311.338	0.682	20	30		DCEDRM
CCc1nc([C@@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2)n[nH]1	ZINC000820492908	597652090	/nfs/dbraw/zinc/65/20/90/597652090.db2.gz	UFTQMBSJFPZANP-LKFCYVNXSA-N	-1	0	321.337	0.272	20	30		DCEDRM
C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820245331	597655766	/nfs/dbraw/zinc/65/57/66/597655766.db2.gz	MPQWQJINMPCHHF-RSAASHCRSA-N	-1	0	321.377	0.754	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](Cn2ccnn2)C1	ZINC000819811269	597658049	/nfs/dbraw/zinc/65/80/49/597658049.db2.gz	MPDQURUOIFVOSF-BXUZGUMPSA-N	-1	0	305.338	0.521	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(O)(C(F)(F)F)CC1	ZINC000819812171	597659369	/nfs/dbraw/zinc/65/93/69/597659369.db2.gz	ZAWQWCCATGWSRI-SNVBAGLBSA-N	-1	0	308.256	0.907	20	30		DCEDRM
N#Cc1nc(NC(=O)CCC2CCOCC2)[n-]c1-c1nn[nH]n1	ZINC000822814248	599314581	/nfs/dbraw/zinc/31/45/81/599314581.db2.gz	CZTYDPAALGWMLL-UHFFFAOYSA-N	-1	0	316.325	0.607	20	30		DCEDRM
CN(CC#N)C(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1	ZINC000737385899	599701238	/nfs/dbraw/zinc/70/12/38/599701238.db2.gz	GMQUPRCCZTWQSB-UHFFFAOYSA-N	-1	0	314.301	0.388	20	30		DCEDRM
C=CCN(C(=O)CCCN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000736108151	599737197	/nfs/dbraw/zinc/73/71/97/599737197.db2.gz	LUFZSHJHNBDAOK-NSHDSACASA-N	-1	0	318.395	0.578	20	30		DCEDRM
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCO[C@@H](C(=O)[O-])C1	ZINC000736219127	599978138	/nfs/dbraw/zinc/97/81/38/599978138.db2.gz	WMKSKSMCBBGSKM-GXFFZTMASA-N	-1	0	303.318	0.671	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000071228616	600028559	/nfs/dbraw/zinc/02/85/59/600028559.db2.gz	HQTVMRBNTCKREM-UHFFFAOYSA-N	-1	0	318.376	0.997	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(CC(=O)c2cc(C(=O)[O-])co2)c1=O	ZINC000737299133	600147081	/nfs/dbraw/zinc/14/70/81/600147081.db2.gz	IZBFYAWXCXZOSF-UHFFFAOYSA-N	-1	0	317.257	0.076	20	30		DCEDRM
N#Cc1ccc(CNC(=O)COC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000739118820	600167388	/nfs/dbraw/zinc/16/73/88/600167388.db2.gz	XELRUSNARWQYAH-VXGBXAGGSA-N	-1	0	302.286	0.438	20	30		DCEDRM
CN(C(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-])C1(C#N)CCCCC1	ZINC000737321497	600177553	/nfs/dbraw/zinc/17/75/53/600177553.db2.gz	GEDQHBANRVOJES-QWRGUYRKSA-N	-1	0	308.334	0.935	20	30		DCEDRM
NC(=O)CNC(=S)NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC000739162624	600181417	/nfs/dbraw/zinc/18/14/17/600181417.db2.gz	DYSIHFYSHHAEFX-UHFFFAOYSA-N	-1	0	319.346	0.149	20	30		DCEDRM
N#CCN1CCC(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1	ZINC000739087111	600352989	/nfs/dbraw/zinc/35/29/89/600352989.db2.gz	VSAQUORICSGWFA-CYBMUJFWSA-N	-1	0	320.393	0.871	20	30		DCEDRM
CC(=O)N1CCc2cc(C(=O)N(CC#N)CC(=O)[O-])ccc21	ZINC000736133984	600400978	/nfs/dbraw/zinc/40/09/78/600400978.db2.gz	IRSXALDCNDMKNW-UHFFFAOYSA-N	-1	0	301.302	0.646	20	30		DCEDRM
C[C@@H](NC(=O)CC1CCCCC1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736631159	600402481	/nfs/dbraw/zinc/40/24/81/600402481.db2.gz	KTFYKVWEHIKTIA-LLVKDONJSA-N	-1	0	309.366	0.898	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N(CC#N)CC(=O)[O-]	ZINC000737845856	600404277	/nfs/dbraw/zinc/40/42/77/600404277.db2.gz	PDHDLEWCNXAVJW-UHFFFAOYSA-N	-1	0	303.274	0.382	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCS(=O)(=O)C1CCCC1	ZINC000739077755	600405000	/nfs/dbraw/zinc/40/50/00/600405000.db2.gz	SLCYGOKLHOHDIM-UHFFFAOYSA-N	-1	0	302.352	0.171	20	30		DCEDRM
Cc1cccc(NC(=O)NCC(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738734306	600406475	/nfs/dbraw/zinc/40/64/75/600406475.db2.gz	IJWAKKAANALBDM-UHFFFAOYSA-N	-1	0	304.306	0.553	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000739079281	600406708	/nfs/dbraw/zinc/40/67/08/600406708.db2.gz	VGHUKFSMERBRTE-UHFFFAOYSA-N	-1	0	317.261	0.381	20	30		DCEDRM
COc1cc(C(=O)N(CC#N)CC(=O)[O-])cc(OC)c1OC	ZINC000737844968	600407167	/nfs/dbraw/zinc/40/71/67/600407167.db2.gz	WYLZUINIAZORMV-UHFFFAOYSA-N	-1	0	308.290	0.763	20	30		DCEDRM
COCCN(CC(=O)[O-])CC(=O)NCc1cccc(C#N)c1	ZINC000737777781	600446673	/nfs/dbraw/zinc/44/66/73/600446673.db2.gz	PKVZHENZLSKEOL-UHFFFAOYSA-N	-1	0	305.334	0.207	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NCCSCC(=O)[O-])CCN1C1CC1	ZINC000739068199	600465890	/nfs/dbraw/zinc/46/58/90/600465890.db2.gz	BHIDMOQOLJFQMW-LLVKDONJSA-N	-1	0	312.395	0.186	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)N1CCC(C(=O)[O-])CC1	ZINC000739142437	600562576	/nfs/dbraw/zinc/56/25/76/600562576.db2.gz	LUXPEEARVLGCNO-UHFFFAOYSA-N	-1	0	317.349	0.871	20	30		DCEDRM
CC(=O)NC[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC000736149712	600571964	/nfs/dbraw/zinc/57/19/64/600571964.db2.gz	ZTVCTKFHEAGOPS-CABCVRRESA-N	-1	0	317.345	0.521	20	30		DCEDRM
CN1N=C(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCC1=O	ZINC000737529425	600608102	/nfs/dbraw/zinc/60/81/02/600608102.db2.gz	JAYPAQPLKPPKBS-CYBMUJFWSA-N	-1	0	315.285	0.835	20	30		DCEDRM
CC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000736889359	600649260	/nfs/dbraw/zinc/64/92/60/600649260.db2.gz	XGZIPZSQAUBRTE-TVQRCGJNSA-N	-1	0	319.317	0.726	20	30		DCEDRM
COc1cc(C)c(S(=O)(=O)N(CC#N)CC(=O)[O-])c(C)c1	ZINC000737867356	600764451	/nfs/dbraw/zinc/76/44/51/600764451.db2.gz	JGVXGVMSQIWVMI-UHFFFAOYSA-N	-1	0	312.347	0.911	20	30		DCEDRM
COC(=O)CN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000737606161	600796205	/nfs/dbraw/zinc/79/62/05/600796205.db2.gz	WGYWDAMGLHJCBO-UHFFFAOYSA-N	-1	0	318.332	0.134	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)NC1C2CC3CC(C2)CC1C3	ZINC000833066361	601226974	/nfs/dbraw/zinc/22/69/74/601226974.db2.gz	WDLFGQRFQZQSTG-UHFFFAOYSA-N	-1	0	305.378	0.837	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)CCO1	ZINC000316014601	601238280	/nfs/dbraw/zinc/23/82/80/601238280.db2.gz	BEFMRACEIJDQSL-GCLPIYDQSA-N	-1	0	322.342	0.697	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cccc(C#N)c1	ZINC000831589940	601266398	/nfs/dbraw/zinc/26/63/98/601266398.db2.gz	CPTWIOBTGOICJE-ZDUSSCGKSA-N	-1	0	312.347	0.716	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)CNc1ccc(C#N)cc1	ZINC000831553993	601298293	/nfs/dbraw/zinc/29/82/93/601298293.db2.gz	OKOCJTCVIOPWGU-HNNXBMFYSA-N	-1	0	305.334	0.966	20	30		DCEDRM
COC(=O)N(C)CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000831199112	601349412	/nfs/dbraw/zinc/34/94/12/601349412.db2.gz	XXLJZTFCRBYBFT-GFCCVEGCSA-N	-1	0	306.274	0.925	20	30		DCEDRM
COC(=O)NCCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000831207039	601353846	/nfs/dbraw/zinc/35/38/46/601353846.db2.gz	SXOHVMVIOCYVMS-GFCCVEGCSA-N	-1	0	306.274	0.973	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)OCC(=O)NC2(C(=O)[O-])CCCCC2)c1	ZINC000833068125	601430878	/nfs/dbraw/zinc/43/08/78/601430878.db2.gz	OJXYPXKNPVJGSP-UHFFFAOYSA-N	-1	0	319.317	0.947	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000817675231	601473833	/nfs/dbraw/zinc/47/38/33/601473833.db2.gz	DODQZJKDRRKKPK-UHFFFAOYSA-N	-1	0	320.370	0.735	20	30		DCEDRM
C[C@@H](CS(=O)(=O)NCc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000827563430	601787916	/nfs/dbraw/zinc/78/79/16/601787916.db2.gz	MTRYPAMDZVGWPJ-QMMMGPOBSA-N	-1	0	300.311	0.837	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCSC[C@H]1CC(=O)[O-]	ZINC000829641856	601892570	/nfs/dbraw/zinc/89/25/70/601892570.db2.gz	BSEOCDHASLSHFF-NWDGAFQWSA-N	-1	0	313.423	0.887	20	30		DCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC000736371242	601905381	/nfs/dbraw/zinc/90/53/81/601905381.db2.gz	RRUDNJRPZRKWNL-NSHDSACASA-N	-1	0	305.338	0.774	20	30		DCEDRM
COc1cc(C(=O)[O-])cc(NCC(=O)NCCC#N)c1OC	ZINC000831913884	601909380	/nfs/dbraw/zinc/90/93/80/601909380.db2.gz	WUGFGJRHNSEORA-UHFFFAOYSA-N	-1	0	307.306	0.844	20	30		DCEDRM
N#CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1Br	ZINC000040605457	602153191	/nfs/dbraw/zinc/15/31/91/602153191.db2.gz	FLYZYSQSQIIECW-UHFFFAOYSA-N	-1	0	319.136	0.949	20	30		DCEDRM
C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000738965328	602251698	/nfs/dbraw/zinc/25/16/98/602251698.db2.gz	ODOZSVAXFUYGAP-SECBINFHSA-N	-1	0	310.331	0.062	20	30		DCEDRM
CN(CC#N)CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O	ZINC000828085996	603597727	/nfs/dbraw/zinc/59/77/27/603597727.db2.gz	NBMOGONHUAJDAH-HZMBPMFUSA-N	-1	0	323.353	0.148	20	30		DCEDRM
Cc1nn(C)c(C)c1CCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830851847	603598297	/nfs/dbraw/zinc/59/82/97/603598297.db2.gz	LMQUGUGYWGGCJS-LBPRGKRZSA-N	-1	0	319.365	0.684	20	30		DCEDRM
Cc1cc(C)n([C@@H](C)C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000830018498	603601599	/nfs/dbraw/zinc/60/15/99/603601599.db2.gz	YLWANDWHHJDIIJ-RYUDHWBXSA-N	-1	0	305.338	0.775	20	30		DCEDRM
Cc1noc(C)c1CCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830908921	603601649	/nfs/dbraw/zinc/60/16/49/603601649.db2.gz	DEPZVOOPADPKKA-LLVKDONJSA-N	-1	0	306.322	0.938	20	30		DCEDRM
COC(=O)[C@@H](OC(=O)[C@@H](C)NC(=O)[O-])c1cccc(C#N)c1	ZINC000828613878	603612416	/nfs/dbraw/zinc/61/24/16/603612416.db2.gz	XXLDZPBHGWITCV-KCJUWKMLSA-N	-1	0	306.274	0.972	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000831118447	603672369	/nfs/dbraw/zinc/67/23/69/603672369.db2.gz	ZIFBEUKUEDGIIE-JTQLQIEISA-N	-1	0	320.280	0.504	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)[O-])CC2)cc1	ZINC000831142471	603707283	/nfs/dbraw/zinc/70/72/83/603707283.db2.gz	ZOUGMLLJBRKLOA-UHFFFAOYSA-N	-1	0	323.374	0.628	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)NCCCNC(=O)[O-])cc1	ZINC000831141793	603751715	/nfs/dbraw/zinc/75/17/15/603751715.db2.gz	OLCQEVDASHXOLL-UHFFFAOYSA-N	-1	0	306.322	0.894	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)[O-])CC1	ZINC000831118248	603790129	/nfs/dbraw/zinc/79/01/29/603790129.db2.gz	RLNJPAHFJXSTDZ-UHFFFAOYSA-N	-1	0	313.310	0.682	20	30		DCEDRM
C#CCCNC(=O)C[C@@]1(C(=O)NCCC#C)CCN(C(=O)[O-])C1	ZINC000823444460	603794687	/nfs/dbraw/zinc/79/46/87/603794687.db2.gz	JCIBAHVCOFOOBE-INIZCTEOSA-N	-1	0	319.361	0.026	20	30		DCEDRM
C#CCNC(=O)COC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823456646	603804868	/nfs/dbraw/zinc/80/48/68/603804868.db2.gz	OBYXTMXSYAYDRX-YOGCLGLASA-N	-1	0	308.334	0.590	20	30		DCEDRM
CC1(C)CN(C(=O)[O-])CCN1CC(=O)N(CCC#N)CCC#N	ZINC000825729286	603913018	/nfs/dbraw/zinc/91/30/18/603913018.db2.gz	SIJMWYSLPZNTFM-UHFFFAOYSA-N	-1	0	321.381	0.717	20	30		DCEDRM
C[C@H](OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000825552877	604033719	/nfs/dbraw/zinc/03/37/19/604033719.db2.gz	SFNOUBXZEHELCX-DCAQKATOSA-N	-1	0	311.338	0.726	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)COCc1ccccc1	ZINC000831081930	604069674	/nfs/dbraw/zinc/06/96/74/604069674.db2.gz	DQAYUKIUXDCQOD-ZDUSSCGKSA-N	-1	0	303.318	0.918	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CNC(=O)CC1CCCC1	ZINC000831082722	604071326	/nfs/dbraw/zinc/07/13/26/604071326.db2.gz	PGGHYMIGDDPJMY-LBPRGKRZSA-N	-1	0	322.365	0.397	20	30		DCEDRM
COC(=O)c1cccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000828793741	604075869	/nfs/dbraw/zinc/07/58/69/604075869.db2.gz	LFVGEIGTUXBGPW-SECBINFHSA-N	-1	0	318.289	0.196	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCCOc1cccnc1	ZINC000831081982	604084146	/nfs/dbraw/zinc/08/41/46/604084146.db2.gz	FOIHMXKTEBFNGX-LBPRGKRZSA-N	-1	0	318.333	0.955	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2nncn2c1	ZINC000831086410	604085611	/nfs/dbraw/zinc/08/56/11/604085611.db2.gz	DQZPLDQPMRSULA-SNVBAGLBSA-N	-1	0	300.278	0.057	20	30		DCEDRM
Cn1ncc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1C(F)F	ZINC000831055431	604155010	/nfs/dbraw/zinc/15/50/10/604155010.db2.gz	VLCMOCPKQDUTTD-ZETCQYMHSA-N	-1	0	313.264	0.686	20	30		DCEDRM
N#C[C@H](C(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C(=O)N1CCCC1	ZINC000831066396	604220171	/nfs/dbraw/zinc/22/01/71/604220171.db2.gz	WOHPFXVKIOLVEY-VXGBXAGGSA-N	-1	0	323.349	0.477	20	30		DCEDRM
N#Cc1cc(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])ccc1F	ZINC000831113545	604283941	/nfs/dbraw/zinc/28/39/41/604283941.db2.gz	DJGDYXUAKQYUPW-JQWIXIFHSA-N	-1	0	308.265	0.854	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)n1	ZINC000833078055	604293885	/nfs/dbraw/zinc/29/38/85/604293885.db2.gz	BFKRGXARMHQUGL-LLVKDONJSA-N	-1	0	317.280	0.621	20	30		DCEDRM
COc1ccc([C@@H](NC(=O)Cn2cnc(C#N)n2)C(=O)[O-])cc1	ZINC000832245403	604308490	/nfs/dbraw/zinc/30/84/90/604308490.db2.gz	MDJBDGQTHFOWNR-CYBMUJFWSA-N	-1	0	315.289	0.100	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC1	ZINC000106365002	604465346	/nfs/dbraw/zinc/46/53/46/604465346.db2.gz	SQEMLJDCCDXTHS-UHFFFAOYSA-N	-1	0	314.388	0.386	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CC1CCCC1	ZINC000831092308	604768673	/nfs/dbraw/zinc/76/86/73/604768673.db2.gz	SKXJWRACHFOFAR-LLVKDONJSA-N	-1	0	301.368	0.694	20	30		DCEDRM
C=CCNC(=O)CN1CCN([C@@H](C(=O)[O-])c2cccnc2)CC1	ZINC000825687230	604793974	/nfs/dbraw/zinc/79/39/74/604793974.db2.gz	FTCQUYIQAKIKEQ-OAHLLOKOSA-N	-1	0	318.377	0.127	20	30		DCEDRM
C#CCOCCC(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC000833364241	604855139	/nfs/dbraw/zinc/85/51/39/604855139.db2.gz	MEOBHWRACCZNCP-ZDUSSCGKSA-N	-1	0	309.293	0.814	20	30		DCEDRM
C=CCN(Cn1nc(C(=O)[O-])c2c(C)onc2c1=O)C1CC1	ZINC000833375727	604866648	/nfs/dbraw/zinc/86/66/48/604866648.db2.gz	DVVTUHHMIJDHRA-UHFFFAOYSA-N	-1	0	304.306	0.999	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cnccc1C(=O)[O-]	ZINC000825687080	604869461	/nfs/dbraw/zinc/86/94/61/604869461.db2.gz	ADFFDWWTYNUJSZ-MRVPVSSYSA-N	-1	0	321.289	0.337	20	30		DCEDRM
C=C(C)COCCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833369307	604894761	/nfs/dbraw/zinc/89/47/61/604894761.db2.gz	PYZJMLZSFYFWHL-LBPRGKRZSA-N	-1	0	300.355	0.446	20	30		DCEDRM
COC[C@@](C)(NC(=O)Cc1cccc(OCC#N)c1)C(=O)[O-]	ZINC000833721630	604910837	/nfs/dbraw/zinc/91/08/37/604910837.db2.gz	QCQKRCUEJUOXFP-OAHLLOKOSA-N	-1	0	306.318	0.737	20	30		DCEDRM
N#CCCn1ccc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)n1	ZINC000831097605	604928076	/nfs/dbraw/zinc/92/80/76/604928076.db2.gz	MJFQMOATZPZVKZ-SNVBAGLBSA-N	-1	0	307.310	0.504	20	30		DCEDRM
CC#CCNC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000833380529	605007902	/nfs/dbraw/zinc/00/79/02/605007902.db2.gz	IZBRECXORSUGON-SNVBAGLBSA-N	-1	0	321.358	0.874	20	30		DCEDRM
C#CCOc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1	ZINC000833366261	605024007	/nfs/dbraw/zinc/02/40/07/605024007.db2.gz	OFRSHVLCRSTKES-AWEZNQCLSA-N	-1	0	313.313	0.847	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000833371952	605093141	/nfs/dbraw/zinc/09/31/41/605093141.db2.gz	ZTCYRTUCOOUNTL-LBPRGKRZSA-N	-1	0	320.345	0.553	20	30		DCEDRM
N#Cc1ccc(Cn2nnnc2CNC(=O)[O-])c(OC(F)F)c1	ZINC000831131974	605173774	/nfs/dbraw/zinc/17/37/74/605173774.db2.gz	IFJLQQKCMADDCU-UHFFFAOYSA-N	-1	0	324.247	0.962	20	30		DCEDRM
C#CCCN1CCN([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC000833362290	605192284	/nfs/dbraw/zinc/19/22/84/605192284.db2.gz	KBWKIYRFIZLBDF-CQSZACIVSA-N	-1	0	321.421	0.339	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000393811798	605211434	/nfs/dbraw/zinc/21/14/34/605211434.db2.gz	LJVNSKOSXNIMSE-UHFFFAOYSA-N	-1	0	304.349	0.027	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000833378471	605301582	/nfs/dbraw/zinc/30/15/82/605301582.db2.gz	OKUVQGBEWMOXNB-WDEREUQCSA-N	-1	0	303.380	0.594	20	30		DCEDRM
C=CCNC(=O)[C@H](C)OC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823506948	605338642	/nfs/dbraw/zinc/33/86/42/605338642.db2.gz	PLWBGOBOIMPHRT-QWRGUYRKSA-N	-1	0	314.338	0.379	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)[C@H]1COCCN1C(=O)[O-])CC2	ZINC000833976554	605364594	/nfs/dbraw/zinc/36/45/94/605364594.db2.gz	HTRHBCXODATYTF-CYBMUJFWSA-N	-1	0	301.302	0.826	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])CC2	ZINC000833977163	605364667	/nfs/dbraw/zinc/36/46/67/605364667.db2.gz	OTPQQSNTTHQZHA-DGCLKSJQSA-N	-1	0	301.302	0.561	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833364282	605396274	/nfs/dbraw/zinc/39/62/74/605396274.db2.gz	JBTNCJGHHVJSHK-UHFFFAOYSA-N	-1	0	322.298	0.550	20	30		DCEDRM
N#CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833760468	605408505	/nfs/dbraw/zinc/40/85/05/605408505.db2.gz	UXBBVPGKYCBBSQ-UHFFFAOYSA-N	-1	0	313.291	0.875	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000833977691	605423175	/nfs/dbraw/zinc/42/31/75/605423175.db2.gz	RUTPQQIEJYVHKG-LLVKDONJSA-N	-1	0	309.347	0.836	20	30		DCEDRM
CC(C[C@H]1CCCN1C(=O)[O-])=NN[C@H]1CCS(=O)(=O)C1	ZINC000824759179	605457277	/nfs/dbraw/zinc/45/72/77/605457277.db2.gz	JEKMKFDNIHHJNO-WDEREUQCSA-N	-1	0	303.384	0.672	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC000833371519	605478629	/nfs/dbraw/zinc/47/86/29/605478629.db2.gz	UEBRSGIASQMWGJ-MRVPVSSYSA-N	-1	0	312.347	0.686	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)C[C@H](NC(=O)[O-])C2CC2)nc1	ZINC000833974527	605629881	/nfs/dbraw/zinc/62/98/81/605629881.db2.gz	JDMIRQDKFHZJAQ-LBPRGKRZSA-N	-1	0	317.349	0.918	20	30		DCEDRM
CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000823843710	605715885	/nfs/dbraw/zinc/71/58/85/605715885.db2.gz	OHDRHYQAOWQEBY-VXGBXAGGSA-N	-1	0	308.382	0.867	20	30		DCEDRM
O=C([O-])N[C@@H]1CC(=NN[C@H]2CCS(=O)(=O)C2)c2ccccc21	ZINC000834156630	605739125	/nfs/dbraw/zinc/73/91/25/605739125.db2.gz	BGUJJHDLFDYBIL-JOYOIKCWSA-N	-1	0	323.374	0.880	20	30		DCEDRM
N#CCOc1cccc(CC(=O)NCC2CN(C(=O)[O-])C2)c1	ZINC000833967513	605750683	/nfs/dbraw/zinc/75/06/83/605750683.db2.gz	RQXFDJOGOZBLQB-UHFFFAOYSA-N	-1	0	303.318	0.857	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)NC[C@H](NC(=O)[O-])C2CC2)c1	ZINC000833976533	605890723	/nfs/dbraw/zinc/89/07/23/605890723.db2.gz	OBJSFDPQZRRJSO-LBPRGKRZSA-N	-1	0	316.317	0.659	20	30		DCEDRM
C#CCN(C(=O)CCCCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000833787698	605917667	/nfs/dbraw/zinc/91/76/67/605917667.db2.gz	YDAXARNWMXQYIW-NSHDSACASA-N	-1	0	316.379	0.073	20	30		DCEDRM
C#CCN(C(=O)CCCCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000833787697	605917932	/nfs/dbraw/zinc/91/79/32/605917932.db2.gz	YDAXARNWMXQYIW-LLVKDONJSA-N	-1	0	316.379	0.073	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCCC[C@@H]2CNC(=O)[O-])CC1	ZINC000833965071	605937567	/nfs/dbraw/zinc/93/75/67/605937567.db2.gz	YLDUVZMSNRKZAP-SNVBAGLBSA-N	-1	0	301.368	0.742	20	30		DCEDRM
O=C([O-])N[C@@H]1CCCCCC1=NN[C@@H]1CCS(=O)(=O)C1	ZINC000834186913	606076985	/nfs/dbraw/zinc/07/69/85/606076985.db2.gz	WGIXPHBUTRLHCG-NXEZZACHSA-N	-1	0	303.384	0.719	20	30		DCEDRM
C#CCN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CCCCC1	ZINC000819697440	607210949	/nfs/dbraw/zinc/21/09/49/607210949.db2.gz	FPBJBGUCVGUYEL-UHFFFAOYSA-N	-1	0	314.353	0.253	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CCCN(CC#N)CC2)cc1=O	ZINC000981565876	661174681	/nfs/dbraw/zinc/17/46/81/661174681.db2.gz	LTKDKXNXKXYCDJ-UHFFFAOYSA-N	-1	0	319.409	0.433	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)C1Cc2ccccc2C1	ZINC000893681462	661257160	/nfs/dbraw/zinc/25/71/60/661257160.db2.gz	IXWMOHIIANFTLY-LLVKDONJSA-N	-1	0	307.371	0.638	20	30		DCEDRM
N#CCc1cccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)c1	ZINC000180211053	665427433	/nfs/dbraw/zinc/42/74/33/665427433.db2.gz	YDJIOEPSQAGVJG-CYBMUJFWSA-N	-1	0	308.359	0.991	20	30		DCEDRM
C#CC1(O)CN(C(=O)c2nn(-c3ccccc3CC)cc2[O-])C1	ZINC000890527618	657589933	/nfs/dbraw/zinc/58/99/33/657589933.db2.gz	WOBASKIXMRHIAL-UHFFFAOYSA-N	-1	0	311.341	0.960	20	30		DCEDRM
C#CCN1CCOC2(CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)C1	ZINC000949343956	657669200	/nfs/dbraw/zinc/66/92/00/657669200.db2.gz	YSPNSTKZBLDIBC-UHFFFAOYSA-N	-1	0	318.377	0.364	20	30		DCEDRM
Cc1nn(C)c2ncc(C(=O)[N-]S(=O)(=O)CCCC#N)cc12	ZINC000181287887	665522040	/nfs/dbraw/zinc/52/20/40/665522040.db2.gz	NTZYZLFZPGBGKC-UHFFFAOYSA-N	-1	0	321.362	0.640	20	30		DCEDRM
C=C1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001020550031	657938501	/nfs/dbraw/zinc/93/85/01/657938501.db2.gz	DNDFBENVZDARHB-HAQNSBGRSA-N	-1	0	305.382	0.994	20	30		DCEDRM
C#CCCN1CCO[C@]2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)C1	ZINC000972345862	658596651	/nfs/dbraw/zinc/59/66/51/658596651.db2.gz	JQHGNHCMXJJHEB-MRXNPFEDSA-N	-1	0	318.377	0.364	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000092479817	658632377	/nfs/dbraw/zinc/63/23/77/658632377.db2.gz	XZRLBCHVWUVLHL-UHFFFAOYSA-N	-1	0	312.303	0.612	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC000975218914	658960767	/nfs/dbraw/zinc/96/07/67/658960767.db2.gz	JISDTCXGGZJAML-KOLCDFICSA-N	-1	0	319.365	0.552	20	30		DCEDRM
Cc1c(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cnn1C	ZINC000125496479	659508472	/nfs/dbraw/zinc/50/84/72/659508472.db2.gz	GBIDDTBJGPBKRJ-LBPRGKRZSA-N	-1	0	306.366	0.982	20	30		DCEDRM
CS(=O)(=O)NCCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000028185581	661383460	/nfs/dbraw/zinc/38/34/60/661383460.db2.gz	CFCAHYSSRHIMOS-XYOKQWHBSA-N	-1	0	301.324	0.659	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2OCCO[C@H]2C)n1	ZINC000923808339	663087527	/nfs/dbraw/zinc/08/75/27/663087527.db2.gz	BXENWJAPYYTANJ-NHCYSSNCSA-N	-1	0	324.358	0.975	20	30		DCEDRM
C=C[C@H](CC)CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000899551177	663152411	/nfs/dbraw/zinc/15/24/11/663152411.db2.gz	LWZHMWSZSIPWLP-SNVBAGLBSA-N	-1	0	302.334	0.806	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899927509	663201360	/nfs/dbraw/zinc/20/13/60/663201360.db2.gz	WNAWQKFNSUYEDU-NSHDSACASA-N	-1	0	311.363	0.217	20	30		DCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCCCO2)C1	ZINC000899929254	663201511	/nfs/dbraw/zinc/20/15/11/663201511.db2.gz	APCBBFBLURZIJX-OLZOCXBDSA-N	-1	0	315.391	0.685	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@]1(c2cnn(C)c2)CCCO1	ZINC000900309110	663234124	/nfs/dbraw/zinc/23/41/24/663234124.db2.gz	VVRJCMJIPUNCHA-HNNXBMFYSA-N	-1	0	322.365	0.708	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](N)Cc2cccc(OC)c2)CC1	ZINC000901059097	663312531	/nfs/dbraw/zinc/31/25/31/663312531.db2.gz	KHEITTUPFCJHOL-ZDUSSCGKSA-N	-1	0	324.402	0.730	20	30		DCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC000901989204	663377281	/nfs/dbraw/zinc/37/72/81/663377281.db2.gz	JWIHNAVCCRFBGC-NEPJUHHUSA-N	-1	0	313.350	0.834	20	30		DCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC000901989215	663377426	/nfs/dbraw/zinc/37/74/26/663377426.db2.gz	JWIHNAVCCRFBGC-VXGBXAGGSA-N	-1	0	313.350	0.834	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](COC)[C@@H]1CCCOC1	ZINC000905593223	663567969	/nfs/dbraw/zinc/56/79/69/663567969.db2.gz	ZWCZCNYQURIDLW-NEPJUHHUSA-N	-1	0	300.355	0.710	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)N(CC)CC2CC2)C1	ZINC000906007279	663595222	/nfs/dbraw/zinc/59/52/22/663595222.db2.gz	ZOHWNVCCWGMYSB-UHFFFAOYSA-N	-1	0	302.396	0.926	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000908702871	663766692	/nfs/dbraw/zinc/76/66/92/663766692.db2.gz	CGCMMBCCZYNBKX-TUAOUCFPSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)NCCN1CCSCC1)C(=O)[O-]	ZINC000908836424	663771254	/nfs/dbraw/zinc/77/12/54/663771254.db2.gz	KGBNAYCVILSWPC-SNVBAGLBSA-N	-1	0	321.830	0.930	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)NCCOC[C@H]1CCCO1)C(=O)[O-]	ZINC000908906345	663774873	/nfs/dbraw/zinc/77/48/73/663774873.db2.gz	QONWPNLAOOAWSA-VXGBXAGGSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCCC[C@H](NC(=O)NC[C@]1(OC)CCOC1)C(=O)[O-]	ZINC000909190474	663786089	/nfs/dbraw/zinc/78/60/89/663786089.db2.gz	OTZHROQOQKGAQS-SMDDNHRTSA-N	-1	0	300.355	0.901	20	30		DCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C)[nH]c1=O	ZINC000062674328	664622693	/nfs/dbraw/zinc/62/26/93/664622693.db2.gz	AKWGOAURABYASU-UHFFFAOYSA-N	-1	0	311.319	0.982	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OCCOC)cc1	ZINC000732494852	664938452	/nfs/dbraw/zinc/93/84/52/664938452.db2.gz	OXMDRCBYEKUEKW-AWEZNQCLSA-N	-1	0	320.345	0.797	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(N)=O)cc1	ZINC000916875461	665098353	/nfs/dbraw/zinc/09/83/53/665098353.db2.gz	OHOXODINMPIHRF-LBPRGKRZSA-N	-1	0	318.333	0.652	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)cc1	ZINC000916874986	665098423	/nfs/dbraw/zinc/09/84/23/665098423.db2.gz	JKSSRZPIJYWVRN-CYBMUJFWSA-N	-1	0	318.329	0.948	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)cc1	ZINC000916892896	665099355	/nfs/dbraw/zinc/09/93/55/665099355.db2.gz	SAEXJRNXWFKSAP-LBPRGKRZSA-N	-1	0	304.302	0.558	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(NC(N)=O)c1	ZINC000916892560	665099407	/nfs/dbraw/zinc/09/94/07/665099407.db2.gz	MTRPGBCBDNSIPE-NSHDSACASA-N	-1	0	304.306	0.262	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC(=O)N2	ZINC000916891807	665099457	/nfs/dbraw/zinc/09/94/57/665099457.db2.gz	FPDFDRPARXURFB-LBPRGKRZSA-N	-1	0	315.329	0.656	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc2c(c1)c(C)nn2C	ZINC000916891495	665099464	/nfs/dbraw/zinc/09/94/64/665099464.db2.gz	BUOFVKLAZZEYSW-GFCCVEGCSA-N	-1	0	315.333	0.362	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2cc3c(cc2O)OCO3)c1=O	ZINC000920361862	665268844	/nfs/dbraw/zinc/26/88/44/665268844.db2.gz	ZHFVNQYDQFWWNI-UHFFFAOYSA-N	-1	0	306.303	0.552	20	30		DCEDRM
O=C1[N-]C(=O)C(=NNc2ccc(OC(F)(F)F)cc2)C(=O)N1	ZINC000921201327	665289953	/nfs/dbraw/zinc/28/99/53/665289953.db2.gz	BLIWBAQFZCBYAA-UHFFFAOYSA-N	-1	0	316.195	0.719	20	30		DCEDRM
C[C@H]1CN(CC#N)CC[C@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000944136928	666396525	/nfs/dbraw/zinc/39/65/25/666396525.db2.gz	XOTPLTGOHZUSRP-VHSXEESVSA-N	-1	0	315.333	0.892	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000861141854	666902137	/nfs/dbraw/zinc/90/21/37/666902137.db2.gz	IKSDUTVCNZQNGC-NSHDSACASA-N	-1	0	305.396	0.983	20	30		DCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)n1	ZINC000861159930	666906136	/nfs/dbraw/zinc/90/61/36/666906136.db2.gz	CVNKRWPUKNZDFR-UHFFFAOYSA-N	-1	0	301.274	0.811	20	30		DCEDRM
C#CC[C@@H](COC)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000861273694	666914560	/nfs/dbraw/zinc/91/45/60/666914560.db2.gz	CBPIQAHIDUQLMY-NSHDSACASA-N	-1	0	312.347	0.648	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccccn2)cc1	ZINC000734965804	666928741	/nfs/dbraw/zinc/92/87/41/666928741.db2.gz	WNEPYMONLSWCRR-UHFFFAOYSA-N	-1	0	317.326	0.837	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000861456471	666930071	/nfs/dbraw/zinc/93/00/71/666930071.db2.gz	YGVBIHHLJRFATN-QWRGUYRKSA-N	-1	0	318.395	0.339	20	30		DCEDRM
CC[C@H](C)NC(=S)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863210250	667117647	/nfs/dbraw/zinc/11/76/47/667117647.db2.gz	XASMVROHOFINKC-QMMMGPOBSA-N	-1	0	307.379	0.350	20	30		DCEDRM
CC(C)OC[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000863416237	667141197	/nfs/dbraw/zinc/14/11/97/667141197.db2.gz	FXKSAGTVJQTLJW-VIFPVBQESA-N	-1	0	302.308	0.308	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccccc2C#N)C1	ZINC000863429540	667143019	/nfs/dbraw/zinc/14/30/19/667143019.db2.gz	FPAUWTMDYNRBGO-CYBMUJFWSA-N	-1	0	310.331	0.422	20	30		DCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCCOC1	ZINC000771055324	667143885	/nfs/dbraw/zinc/14/38/85/667143885.db2.gz	GQIINVJFYCCKHG-LBPRGKRZSA-N	-1	0	300.380	0.943	20	30		DCEDRM
C[C@H]1CN(c2cccc(S(N)(=O)=O)c2C#N)CC[C@H]1C(=O)[O-]	ZINC000863733946	667173624	/nfs/dbraw/zinc/17/36/24/667173624.db2.gz	HWWOXSQYZJMCDQ-VHSXEESVSA-N	-1	0	323.374	0.753	20	30		DCEDRM
C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)CC[C@@H]1C(=O)[O-]	ZINC000863735064	667173877	/nfs/dbraw/zinc/17/38/77/667173877.db2.gz	YSRYDNGGVBTXNJ-CABZTGNLSA-N	-1	0	323.374	0.753	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(S(C)(=O)=O)c(C)o1	ZINC000864136506	667218074	/nfs/dbraw/zinc/21/80/74/667218074.db2.gz	ZTKPXLFBTNOODK-UHFFFAOYSA-N	-1	0	301.320	0.704	20	30		DCEDRM
C=CCOCC(=O)N1CCN(c2ccc(C(=O)[O-])cn2)CC1	ZINC000737533113	667616178	/nfs/dbraw/zinc/61/61/78/667616178.db2.gz	QWJMUHJTAAOWEI-UHFFFAOYSA-N	-1	0	305.334	0.631	20	30		DCEDRM
C[C@H](NC(=O)C(C)(C)C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122578874	667656677	/nfs/dbraw/zinc/65/66/77/667656677.db2.gz	LGRRTTFTMONMAG-UWVGGRQHSA-N	-1	0	304.350	0.862	20	30		DCEDRM
Cn1cc(C=NNc2ccccc2C(=O)[O-])c(=O)n(C)c1=O	ZINC000839403151	667746012	/nfs/dbraw/zinc/74/60/12/667746012.db2.gz	GJBTVYYYVRPEAX-UHFFFAOYSA-N	-1	0	302.290	0.228	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](CC(=C)C)NC(C)=O)CC1	ZINC000870838885	667765344	/nfs/dbraw/zinc/76/53/44/667765344.db2.gz	PSIIXJOXBQCNFL-NSHDSACASA-N	-1	0	300.380	0.622	20	30		DCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC	ZINC000871951990	667859447	/nfs/dbraw/zinc/85/94/47/667859447.db2.gz	WPKTXWYQDMIMSJ-SNVBAGLBSA-N	-1	0	311.359	0.965	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1cnn(CC)c1	ZINC000749225915	667948886	/nfs/dbraw/zinc/94/88/86/667948886.db2.gz	FIQGOJMMRSEZMQ-UHFFFAOYSA-N	-1	0	301.368	0.691	20	30		DCEDRM
N#Cc1ccccc1N1CCC(NC(=O)c2n[nH]c(=O)[n-]2)CC1	ZINC000749531561	667956575	/nfs/dbraw/zinc/95/65/75/667956575.db2.gz	XNQMYGUXEOIBIC-UHFFFAOYSA-N	-1	0	312.333	0.781	20	30		DCEDRM
CC(C)S(=O)(=O)NN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000749748539	667963181	/nfs/dbraw/zinc/96/31/81/667963181.db2.gz	GZQQOOPRHUZLFE-UHFFFAOYSA-N	-1	0	300.336	0.812	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)n(C)n1	ZINC000750416963	667978092	/nfs/dbraw/zinc/97/80/92/667978092.db2.gz	QZDDULVJYINLFI-UHFFFAOYSA-N	-1	0	318.358	0.860	20	30		DCEDRM
CC(C)c1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n(C)n1	ZINC000753944803	668038510	/nfs/dbraw/zinc/03/85/10/668038510.db2.gz	FMULLALGDYIZRX-UHFFFAOYSA-N	-1	0	310.379	0.907	20	30		DCEDRM
CCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)COC1	ZINC000756218462	668081687	/nfs/dbraw/zinc/08/16/87/668081687.db2.gz	ZPUUUCPEFRBQTL-UHFFFAOYSA-N	-1	0	308.359	0.931	20	30		DCEDRM
Cc1ccc(F)c2c1NC(=O)C2=N[N-]c1ccc(C(N)=O)nn1	ZINC000756845649	668102994	/nfs/dbraw/zinc/10/29/94/668102994.db2.gz	ZNCLMZMUSYXUFC-UHFFFAOYSA-N	-1	0	314.280	0.791	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]CC2OCCCO2)c(F)c1	ZINC000757716540	668146137	/nfs/dbraw/zinc/14/61/37/668146137.db2.gz	AQBBLCJEPFCHPH-UHFFFAOYSA-N	-1	0	318.301	0.878	20	30		DCEDRM
COc1cc(C(C)=NNS(C)(=O)=O)cc([N+](=O)[O-])c1[O-]	ZINC000764705358	668458290	/nfs/dbraw/zinc/45/82/90/668458290.db2.gz	VELSMHSBBNCODI-UHFFFAOYSA-N	-1	0	303.296	0.582	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000765488897	668495572	/nfs/dbraw/zinc/49/55/72/668495572.db2.gz	GNHALSDIHFQFFW-UHFFFAOYSA-N	-1	0	304.237	0.686	20	30		DCEDRM
C#CCN(Cc1ccc(F)cc1)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000765480826	668495747	/nfs/dbraw/zinc/49/57/47/668495747.db2.gz	YXDSYNUOAVCQJS-UHFFFAOYSA-N	-1	0	302.265	0.698	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12	ZINC000766285886	668530928	/nfs/dbraw/zinc/53/09/28/668530928.db2.gz	CYYUWJRARJIIBF-UHFFFAOYSA-N	-1	0	323.334	0.044	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCO1	ZINC000766986718	668556057	/nfs/dbraw/zinc/55/60/57/668556057.db2.gz	JLVIIJWRJFIXRC-NSHDSACASA-N	-1	0	324.358	0.941	20	30		DCEDRM
Cn1c2ccccc2sc1=NN=Cc1cn(CC(=O)[O-])nn1	ZINC000768476214	668611088	/nfs/dbraw/zinc/61/10/88/668611088.db2.gz	KDTPPBRHTWBLJZ-UHFFFAOYSA-N	-1	0	316.346	0.851	20	30		DCEDRM
O=C([O-])Cn1cc(C=N[N-]c2[nH]c3cc(F)c(F)cc3[nH+]2)nn1	ZINC000768481505	668611218	/nfs/dbraw/zinc/61/12/18/668611218.db2.gz	BNURNCPBGYTDMT-UHFFFAOYSA-N	-1	0	321.247	0.963	20	30		DCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ncc(C#N)cc2Cl)C1=O	ZINC000769836987	668665781	/nfs/dbraw/zinc/66/57/81/668665781.db2.gz	YMYHHELWWXLOSH-CYBMUJFWSA-N	-1	0	321.724	0.972	20	30		DCEDRM
CC(C)(C)C(=O)Cn1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1	ZINC000769946304	668670577	/nfs/dbraw/zinc/67/05/77/668670577.db2.gz	QQFXDQGXIKWISF-SNVBAGLBSA-N	-1	0	317.349	0.494	20	30		DCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)c2nccn2C)c1	ZINC000770731175	668710090	/nfs/dbraw/zinc/71/00/90/668710090.db2.gz	YZNGNKIKIGVMSO-LBPRGKRZSA-N	-1	0	310.313	0.985	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000770776923	668713525	/nfs/dbraw/zinc/71/35/25/668713525.db2.gz	WZOQSJPPBICWQC-UHFFFAOYSA-N	-1	0	318.282	0.741	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)CCSc2n[nH]c(=O)[n-]2)c1	ZINC000772227226	668765915	/nfs/dbraw/zinc/76/59/15/668765915.db2.gz	SDAWZPLGFBYFDY-UHFFFAOYSA-N	-1	0	310.360	0.948	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCN(C)C2=O)n1	ZINC000772525380	668776323	/nfs/dbraw/zinc/77/63/23/668776323.db2.gz	YOQFUKPBDRHMED-ZJUUUORDSA-N	-1	0	321.358	0.649	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C	ZINC000772713738	668781980	/nfs/dbraw/zinc/78/19/80/668781980.db2.gz	VUHKJYYJHNQIHE-VIFPVBQESA-N	-1	0	323.374	0.709	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCn1c2ccccc2n(C)c1=O	ZINC000772713733	668782057	/nfs/dbraw/zinc/78/20/57/668782057.db2.gz	VGGKXBGFYXISRW-UHFFFAOYSA-N	-1	0	323.374	0.362	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000775538922	668864778	/nfs/dbraw/zinc/86/47/78/668864778.db2.gz	NJKSEAFISDVNSY-LLVKDONJSA-N	-1	0	316.321	0.373	20	30		DCEDRM
COc1ccc(O)c(S(=O)(=O)[N-]c2cnn(CC#N)c2)c1	ZINC000775671701	668866287	/nfs/dbraw/zinc/86/62/87/668866287.db2.gz	BKMJQFDZLAHBIX-UHFFFAOYSA-N	-1	0	308.319	0.922	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCn1cc(Cl)cn1	ZINC000776118763	668871200	/nfs/dbraw/zinc/87/12/00/668871200.db2.gz	VAJCVTXTUXGKHE-UHFFFAOYSA-N	-1	0	304.759	0.676	20	30		DCEDRM
CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776139578	668871613	/nfs/dbraw/zinc/87/16/13/668871613.db2.gz	SZGHUIFUENMORH-UHFFFAOYSA-N	-1	0	317.411	0.535	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cn2ccccc2n1	ZINC000776143065	668871693	/nfs/dbraw/zinc/87/16/93/668871693.db2.gz	MCULQFGBZBKQHS-UHFFFAOYSA-N	-1	0	306.347	0.944	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-]	ZINC000776597480	668878988	/nfs/dbraw/zinc/87/89/88/668878988.db2.gz	QGMIMXDCIZVQMN-ZETCQYMHSA-N	-1	0	307.759	0.771	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)CN2CCOCC2)n1	ZINC000778847806	668904895	/nfs/dbraw/zinc/90/48/95/668904895.db2.gz	DDNGAPLDIHECKD-LLVKDONJSA-N	-1	0	323.374	0.503	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000778904647	668905760	/nfs/dbraw/zinc/90/57/60/668905760.db2.gz	VSHWWNFPOVHGAD-UHFFFAOYSA-N	-1	0	309.294	0.156	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)CCCC1	ZINC000779314914	668909516	/nfs/dbraw/zinc/90/95/16/668909516.db2.gz	NMXPLXFTWXQBSZ-UHFFFAOYSA-N	-1	0	324.362	0.257	20	30		DCEDRM
CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779319497	668909849	/nfs/dbraw/zinc/90/98/49/668909849.db2.gz	INUBDWUQEZMVTM-SNVBAGLBSA-N	-1	0	315.395	0.431	20	30		DCEDRM
CN(C)C(=O)Cn1ccc([N-]c2ncc([N+](=O)[O-])cc2C#N)n1	ZINC000779896605	668949540	/nfs/dbraw/zinc/94/95/40/668949540.db2.gz	ONNUJOLITZECEC-UHFFFAOYSA-N	-1	0	315.293	0.890	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1	ZINC000780313565	668978425	/nfs/dbraw/zinc/97/84/25/668978425.db2.gz	PZIZNGSPMHCPGV-LOWVWBTDSA-N	-1	0	316.361	0.764	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1	ZINC000782701426	669117202	/nfs/dbraw/zinc/11/72/02/669117202.db2.gz	AEONMQRSFPWOSW-UHFFFAOYSA-N	-1	0	301.368	0.547	20	30		DCEDRM
CCC[C@](C)(O)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000784281119	669197093	/nfs/dbraw/zinc/19/70/93/669197093.db2.gz	GBSSWIXYEVMOPT-AWEZNQCLSA-N	-1	0	304.306	0.901	20	30		DCEDRM
COCCn1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC000784493104	669207677	/nfs/dbraw/zinc/20/76/77/669207677.db2.gz	PZEYNJINPDDABQ-LBPRGKRZSA-N	-1	0	304.350	0.911	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2NC(=O)O[C@H]2C)n1	ZINC000786066044	669289823	/nfs/dbraw/zinc/28/98/23/669289823.db2.gz	CEUNGSHBMFTGOM-XKSSXDPKSA-N	-1	0	323.330	0.668	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC000788348281	669433505	/nfs/dbraw/zinc/43/35/05/669433505.db2.gz	GIOUXFAVBMCLJL-LLVKDONJSA-N	-1	0	319.317	0.590	20	30		DCEDRM
NC(=O)CNC(=S)NN=C1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000789017918	669467159	/nfs/dbraw/zinc/46/71/59/669467159.db2.gz	MCDJAYXCDRNQHQ-JTQLQIEISA-N	-1	0	320.374	0.302	20	30		DCEDRM
CS(=O)(=O)CCNN=C1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000789018350	669467424	/nfs/dbraw/zinc/46/74/24/669467424.db2.gz	TUZHZZXJGVHSQB-LBPRGKRZSA-N	-1	0	310.375	0.987	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CCC3(CCOCC3)CO2)c1=O	ZINC000882179373	669470929	/nfs/dbraw/zinc/47/09/29/669470929.db2.gz	QQPSTDCDKNAJLX-GFCCVEGCSA-N	-1	0	305.334	0.384	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CN1CCc2ccccc2C1=O	ZINC000789457675	669496347	/nfs/dbraw/zinc/49/63/47/669496347.db2.gz	BYKTZDURVMTXIE-UHFFFAOYSA-N	-1	0	308.359	0.317	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1	ZINC000791111034	669593186	/nfs/dbraw/zinc/59/31/86/669593186.db2.gz	LRWLSTMFWIXYBR-UHFFFAOYSA-N	-1	0	321.420	0.203	20	30		DCEDRM
CC[C@@H](NN=Cc1ccc(S(N)(=O)=O)c(Cl)c1)C(=O)[O-]	ZINC000793077757	669701166	/nfs/dbraw/zinc/70/11/66/669701166.db2.gz	HWUWMOFNJXTPPC-SECBINFHSA-N	-1	0	319.770	0.774	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2COc3ccccc32)CC1	ZINC000793204484	669707334	/nfs/dbraw/zinc/70/73/34/669707334.db2.gz	QXAMZFOOZPVDEU-LLVKDONJSA-N	-1	0	306.343	0.912	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1	ZINC000793201580	669707351	/nfs/dbraw/zinc/70/73/51/669707351.db2.gz	NGPZWKACSYMMBJ-UHFFFAOYSA-N	-1	0	324.318	0.540	20	30		DCEDRM
CC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCO1	ZINC000793202161	669707675	/nfs/dbraw/zinc/70/76/75/669707675.db2.gz	WHSDESPIWAMXFZ-GHMZBOCLSA-N	-1	0	300.380	0.941	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000797816141	669976514	/nfs/dbraw/zinc/97/65/14/669976514.db2.gz	IBBZBDNCDIRFGB-CABZTGNLSA-N	-1	0	314.363	0.972	20	30		DCEDRM
C#CCC[C@H](O)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000798488583	670006889	/nfs/dbraw/zinc/00/68/89/670006889.db2.gz	UEUNTZIWCUZGRU-VIFPVBQESA-N	-1	0	316.310	0.787	20	30		DCEDRM
C[C@@H]1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CCN1CC#N	ZINC000947787748	670012059	/nfs/dbraw/zinc/01/20/59/670012059.db2.gz	CRRJOBUWXFOFOC-GHMZBOCLSA-N	-1	0	314.349	0.129	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cncc(OCCOC)c1	ZINC000802042885	670149001	/nfs/dbraw/zinc/14/90/01/670149001.db2.gz	LTIAQYFTNPYZAW-CYBMUJFWSA-N	-1	0	303.318	0.731	20	30		DCEDRM
Cn1nnc2c1nccc2C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000802045917	670149042	/nfs/dbraw/zinc/14/90/42/670149042.db2.gz	UHGWKTQBGHJNON-NSHDSACASA-N	-1	0	312.333	0.745	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC	ZINC000802157472	670153760	/nfs/dbraw/zinc/15/37/60/670153760.db2.gz	FXNIMYVPPRIZEZ-QWRGUYRKSA-N	-1	0	303.380	0.824	20	30		DCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)ccc1=O	ZINC000079736833	670221577	/nfs/dbraw/zinc/22/15/77/670221577.db2.gz	KKGMVXSMZNCCNU-UHFFFAOYSA-N	-1	0	317.326	0.950	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000809030187	670437625	/nfs/dbraw/zinc/43/76/25/670437625.db2.gz	JCQXYPPZQACZHI-UHFFFAOYSA-N	-1	0	318.358	0.648	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000810772806	670496640	/nfs/dbraw/zinc/49/66/40/670496640.db2.gz	FYIPLLBKAYSYAD-UHFFFAOYSA-N	-1	0	300.267	0.817	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H](C)NC(=O)OC(C)(C)C	ZINC000810769789	670496759	/nfs/dbraw/zinc/49/67/59/670496759.db2.gz	FCVMREUOIYEYSD-JTQLQIEISA-N	-1	0	318.395	0.759	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COCCOc1ccccc1	ZINC000810779208	670497419	/nfs/dbraw/zinc/49/74/19/670497419.db2.gz	CTNBCIRXNNXVPI-UHFFFAOYSA-N	-1	0	311.359	0.551	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CSC[C@H]1CCCCO1	ZINC000810778847	670497513	/nfs/dbraw/zinc/49/75/13/670497513.db2.gz	PEANBTFGRDIKQZ-LLVKDONJSA-N	-1	0	305.421	0.758	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)n1cccn1	ZINC000810782929	670497656	/nfs/dbraw/zinc/49/76/56/670497656.db2.gz	XIAIGDFMLFYVJR-AWEZNQCLSA-N	-1	0	317.370	0.942	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc2c1CC(=O)CC2	ZINC000810782664	670497745	/nfs/dbraw/zinc/49/77/45/670497745.db2.gz	RSUOZXWKCIUFHS-UHFFFAOYSA-N	-1	0	305.355	0.827	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2n[nH]c(C)n2)cc1	ZINC000810784472	670497939	/nfs/dbraw/zinc/49/79/39/670497939.db2.gz	HBVHFQRMWVPTCA-UHFFFAOYSA-N	-1	0	318.358	0.863	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN(C(C)=O)C2)CC1	ZINC000810988586	670502387	/nfs/dbraw/zinc/50/23/87/670502387.db2.gz	SKSTZZLKSWTYMC-CYBMUJFWSA-N	-1	0	314.407	0.800	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)C2(COC)CC2)cc1	ZINC000811151386	670510159	/nfs/dbraw/zinc/51/01/59/670510159.db2.gz	LSCXQMKKXDNUGJ-UHFFFAOYSA-N	-1	0	323.370	0.937	20	30		DCEDRM
C#C[C@H](C)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000811183915	670515198	/nfs/dbraw/zinc/51/51/98/670515198.db2.gz	ARVJXSMBQZITGD-QMMMGPOBSA-N	-1	0	302.302	0.381	20	30		DCEDRM
COC(=O)c1cc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)cn1C	ZINC000811693755	670541991	/nfs/dbraw/zinc/54/19/91/670541991.db2.gz	PLYGGHNWWUHDJE-PLNGDYQASA-N	-1	0	317.301	0.507	20	30		DCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000847648615	670586217	/nfs/dbraw/zinc/58/62/17/670586217.db2.gz	VVRPKLMJOYTHKY-FZMZJTMJSA-N	-1	0	322.386	0.972	20	30		DCEDRM
COc1cnc(F)c(C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000847675512	670589014	/nfs/dbraw/zinc/58/90/14/670589014.db2.gz	XHAVZCQGDLKSPZ-UHFFFAOYSA-N	-1	0	301.299	0.593	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1scc2c1OCCO2	ZINC000847707283	670593238	/nfs/dbraw/zinc/59/32/38/670593238.db2.gz	HKXOMABIKWEOPL-UHFFFAOYSA-N	-1	0	302.333	0.493	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847848864	670607145	/nfs/dbraw/zinc/60/71/45/670607145.db2.gz	NAOIAZAPDJGQEI-ZDUSSCGKSA-N	-1	0	315.395	0.595	20	30		DCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2ccc(C#N)s2)cnn1C	ZINC000813951040	670665076	/nfs/dbraw/zinc/66/50/76/670665076.db2.gz	QIFSPOHLARAODR-UHFFFAOYSA-N	-1	0	310.360	0.780	20	30		DCEDRM
CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813982032	670667726	/nfs/dbraw/zinc/66/77/26/670667726.db2.gz	ANWYDNXCLULNIL-JTQLQIEISA-N	-1	0	311.363	0.963	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000814844654	670705183	/nfs/dbraw/zinc/70/51/83/670705183.db2.gz	MYWWBBNMFYWFKF-CBAPKCEASA-N	-1	0	300.384	0.073	20	30		DCEDRM
O=C([O-])Cn1cc(C(=O)/C=C/c2cc3n(n2)CCCC3)nn1	ZINC000848642928	670707993	/nfs/dbraw/zinc/70/79/93/670707993.db2.gz	MNRITPAVUOFMMY-SNAWJCMRSA-N	-1	0	301.306	0.792	20	30		DCEDRM
O=C1NC(=O)C(=N[N-]c2nnc(-c3ccccc3)s2)C(=O)N1	ZINC000814946646	670709333	/nfs/dbraw/zinc/70/93/33/670709333.db2.gz	MXOAQZXFJBFRFF-UHFFFAOYSA-N	-1	0	316.302	0.339	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cnc(OC)c(Cl)c1	ZINC000849218877	670765807	/nfs/dbraw/zinc/76/58/07/670765807.db2.gz	LESJBUYDDQDCAW-UHFFFAOYSA-N	-1	0	318.738	0.452	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)c(NC(C)=O)c1	ZINC000849219371	670765932	/nfs/dbraw/zinc/76/59/32/670765932.db2.gz	ROMYFGZDCZGTRY-UHFFFAOYSA-N	-1	0	324.358	0.662	20	30		DCEDRM
C#CC[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1	ZINC000849331909	670778198	/nfs/dbraw/zinc/77/81/98/670778198.db2.gz	FBUGLFONHZKURA-LLVKDONJSA-N	-1	0	311.363	0.392	20	30		DCEDRM
C#CC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])c1ccccc1	ZINC000817111084	670895861	/nfs/dbraw/zinc/89/58/61/670895861.db2.gz	SQZGDIVKEOBGCU-ZDUSSCGKSA-N	-1	0	302.330	0.848	20	30		DCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)c(OC)c1	ZINC000850843486	670948145	/nfs/dbraw/zinc/94/81/45/670948145.db2.gz	WROOTSBJIYCSIZ-SECBINFHSA-N	-1	0	312.347	0.661	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC000850844374	670948806	/nfs/dbraw/zinc/94/88/06/670948806.db2.gz	HDYBLZVXCZCSSG-PJXYFTJBSA-N	-1	0	306.343	0.564	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1	ZINC000817900516	670951226	/nfs/dbraw/zinc/95/12/26/670951226.db2.gz	ULEVSKIVFBAFBQ-HUUCEWRRSA-N	-1	0	307.350	0.462	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)CCCF)ccc1C#N	ZINC000850870268	670951323	/nfs/dbraw/zinc/95/13/23/670951323.db2.gz	BGMHHMPJGQRLMI-UHFFFAOYSA-N	-1	0	300.311	0.986	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CCOCC1	ZINC000850935344	670955822	/nfs/dbraw/zinc/95/58/22/670955822.db2.gz	GFMIHXLXTMJEDW-NSHDSACASA-N	-1	0	316.379	0.322	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](OC)c1cccc(OC)c1	ZINC000851000105	670960204	/nfs/dbraw/zinc/96/02/04/670960204.db2.gz	OPKUWMXWBVVRAI-ZDUSSCGKSA-N	-1	0	311.359	0.852	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCc1ccc(F)cc1	ZINC000851199310	670973433	/nfs/dbraw/zinc/97/34/33/670973433.db2.gz	KSRINJOOCDPANO-NSHDSACASA-N	-1	0	313.350	0.853	20	30		DCEDRM
C=C(Br)CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000851649175	671003940	/nfs/dbraw/zinc/00/39/40/671003940.db2.gz	KHEKZFRDZAPOPE-LDYMZIIASA-N	-1	0	319.155	0.638	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1	ZINC000851653867	671005021	/nfs/dbraw/zinc/00/50/21/671005021.db2.gz	FWBPCSRPDPSLAJ-UHFFFAOYSA-N	-1	0	323.349	0.730	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)[C@@H](C#N)C(=O)NC2CC2)c1	ZINC000819943314	671148545	/nfs/dbraw/zinc/14/85/45/671148545.db2.gz	CWSDKGBBCJJNPC-DMZKTXOQSA-N	-1	0	320.370	0.790	20	30		DCEDRM
CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000860448083	671209677	/nfs/dbraw/zinc/20/96/77/671209677.db2.gz	IBGPGBWNZXQVLN-ZDUSSCGKSA-N	-1	0	323.374	0.275	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000853208426	671219706	/nfs/dbraw/zinc/21/97/06/671219706.db2.gz	ASZOSSKIZDRMJZ-QMMMGPOBSA-N	-1	0	301.311	0.305	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1	ZINC000860630822	671225581	/nfs/dbraw/zinc/22/55/81/671225581.db2.gz	FORJCHLLKFDHJG-CYBMUJFWSA-N	-1	0	322.386	0.781	20	30		DCEDRM
CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000860649322	671227080	/nfs/dbraw/zinc/22/70/80/671227080.db2.gz	INOJXCKKEXWHPE-LLVKDONJSA-N	-1	0	315.395	0.287	20	30		DCEDRM
CCCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821582625	671284460	/nfs/dbraw/zinc/28/44/60/671284460.db2.gz	SFEQRLZCDPQTRT-SNVBAGLBSA-N	-1	0	301.368	0.137	20	30		DCEDRM
CN1C(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000821619728	671285682	/nfs/dbraw/zinc/28/56/82/671285682.db2.gz	KOBWVBKNAHJESK-GFCCVEGCSA-N	-1	0	321.358	0.125	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCC(F)(F)CC2)c(=O)[n-]c1=O	ZINC000822602683	671332312	/nfs/dbraw/zinc/33/23/12/671332312.db2.gz	LNHCLQIPHPVXPF-UHFFFAOYSA-N	-1	0	312.276	0.468	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)c1ccc2c(c1)CCO2	ZINC000826382924	671487258	/nfs/dbraw/zinc/48/72/58/671487258.db2.gz	AYRRYVCBSRMOMA-UHFFFAOYSA-N	-1	0	321.300	0.753	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000835040472	671786844	/nfs/dbraw/zinc/78/68/44/671786844.db2.gz	PSOJIZIOWSEDSK-MRVPVSSYSA-N	-1	0	303.286	0.808	20	30		DCEDRM
CO[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000835295299	671792932	/nfs/dbraw/zinc/79/29/32/671792932.db2.gz	RQKIDDHLPCLQEC-ZDUSSCGKSA-N	-1	0	322.386	0.994	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1F	ZINC000835321363	671793716	/nfs/dbraw/zinc/79/37/16/671793716.db2.gz	GGJUURQGXCCYNP-QMMMGPOBSA-N	-1	0	303.286	0.808	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H]1COc2ccccc2O1	ZINC000835371752	671794668	/nfs/dbraw/zinc/79/46/68/671794668.db2.gz	MCHCNLZGUPCRFS-LLVKDONJSA-N	-1	0	309.343	0.686	20	30		DCEDRM
C#C[C@H]([N-]S(=O)(=O)c1occc1C(=O)OC)[C@H]1CCCO1	ZINC000867123836	671798396	/nfs/dbraw/zinc/79/83/96/671798396.db2.gz	FMKOBIHNRKRDPV-WDEREUQCSA-N	-1	0	313.331	0.525	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000842339028	672006759	/nfs/dbraw/zinc/00/67/59/672006759.db2.gz	LQUQHUGVGJQCSW-HZGVNTEJSA-N	-1	0	313.266	0.167	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000843256507	672075149	/nfs/dbraw/zinc/07/51/49/672075149.db2.gz	GMRWTNISHMKLJT-WDEREUQCSA-N	-1	0	312.391	0.038	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCC(=O)[O-])C1CC1	ZINC000844788009	672202589	/nfs/dbraw/zinc/20/25/89/672202589.db2.gz	AYGNXLACDXLMHE-JTQLQIEISA-N	-1	0	303.384	0.652	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000844782923	672202396	/nfs/dbraw/zinc/20/23/96/672202396.db2.gz	MJIPMJBBTQYVPR-QMMMGPOBSA-N	-1	0	313.335	0.981	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	ZINC000844799157	672203711	/nfs/dbraw/zinc/20/37/11/672203711.db2.gz	DQSZUXHYQWSDNY-UHFFFAOYSA-N	-1	0	316.360	0.532	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000846002431	672287818	/nfs/dbraw/zinc/28/78/18/672287818.db2.gz	ISKYVDVNEPRTGT-UHFFFAOYSA-N	-1	0	315.326	0.184	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C(=O)NC)ccc1OC	ZINC000846152465	672297867	/nfs/dbraw/zinc/29/78/67/672297867.db2.gz	UGNJENKKNGPLMN-SECBINFHSA-N	-1	0	321.333	0.616	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(C(=O)NC)c1C	ZINC000846152187	672297875	/nfs/dbraw/zinc/29/78/75/672297875.db2.gz	PZGYGXMERDLQNR-SECBINFHSA-N	-1	0	305.334	0.915	20	30		DCEDRM
O=C([O-])CN(CC1CC1)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000846711880	672339940	/nfs/dbraw/zinc/33/99/40/672339940.db2.gz	QYXLNRNCNQQVBS-PFONDFGASA-N	-1	0	321.333	0.226	20	30		DCEDRM
CC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCO1	ZINC000813984491	685351837	/nfs/dbraw/zinc/35/18/37/685351837.db2.gz	SRVZLUFQTRVLNJ-VXGBXAGGSA-N	-1	0	323.374	0.963	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@]12C[C@H]1COC2(C)C	ZINC000850928213	685370979	/nfs/dbraw/zinc/37/09/79/685370979.db2.gz	CPDBVIZDLCOTGR-ZANVPECISA-N	-1	0	300.380	0.797	20	30		DCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000113698978	685115442	/nfs/dbraw/zinc/11/54/42/685115442.db2.gz	OCVCMCPYCJDHAV-LLVKDONJSA-N	-1	0	310.375	0.972	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(OC)c(OC)cc1OC)C(=O)[O-]	ZINC000387614277	685252597	/nfs/dbraw/zinc/25/25/97/685252597.db2.gz	ZCMRHGIDEMEBGJ-JTQLQIEISA-N	-1	0	307.302	0.919	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2(C)CCN(C(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC000956340811	686683119	/nfs/dbraw/zinc/68/31/19/686683119.db2.gz	JVCSQOLUMBVCTF-VIFPVBQESA-N	-1	0	319.365	0.694	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)c1[O-]	ZINC000966400638	689752817	/nfs/dbraw/zinc/75/28/17/689752817.db2.gz	OBOGHRVWOXKBOG-SKDRFNHKSA-N	-1	0	316.361	0.414	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001076167571	695003055	/nfs/dbraw/zinc/00/30/55/695003055.db2.gz	GECCQNFONVBUSX-GXSJLCMTSA-N	-1	0	324.381	0.639	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCOC2CCCC2)c(=O)[n-]c1=O	ZINC001626231977	1157953541	/nfs/dbraw/zinc/95/35/41/1157953541.db2.gz	FAWLMJRUYOKOTM-UHFFFAOYSA-N	-1	0	320.349	0.286	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001746619228	1159053297	/nfs/dbraw/zinc/05/32/97/1159053297.db2.gz	ZXEOAGSEYKTZLJ-VIFPVBQESA-N	-1	0	323.353	0.121	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(=O)[n-]c1=O	ZINC001465142167	1159767591	/nfs/dbraw/zinc/76/75/91/1159767591.db2.gz	QOHFPAQFULQLOD-DMDPSCGWSA-N	-1	0	316.361	0.906	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC001604062137	1159787483	/nfs/dbraw/zinc/78/74/83/1159787483.db2.gz	ZQYLAZPQIXQBQX-WCBMZHEXSA-N	-1	0	307.397	0.015	20	30		DCEDRM
N#C[C@@H]1CSCCN1S(=O)(=O)c1csnc1C(=O)[O-]	ZINC001608179668	1159802662	/nfs/dbraw/zinc/80/26/62/1159802662.db2.gz	MKLUYDMSSNANIB-ZCFIWIBFSA-N	-1	0	319.389	0.471	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC001609258035	1159816488	/nfs/dbraw/zinc/81/64/88/1159816488.db2.gz	XBGODVUDOYMPAG-UWVGGRQHSA-N	-1	0	305.352	0.231	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2ccc3c[nH]nc3c2)c(=O)[n-]c1=O	ZINC001542562875	1159813119	/nfs/dbraw/zinc/81/31/19/1159813119.db2.gz	ZDMAFPNKORGTPB-UHFFFAOYSA-N	-1	0	324.300	0.726	20	30		DCEDRM
C[C@H](CNCC#N)N(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001568321383	1160628732	/nfs/dbraw/zinc/62/87/32/1160628732.db2.gz	ZLVGXRGZXPRXIZ-MRVPVSSYSA-N	-1	0	308.304	0.404	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1	ZINC001569240591	1160989885	/nfs/dbraw/zinc/98/98/85/1160989885.db2.gz	IEXDWQUQIGZERQ-UHFFFAOYSA-N	-1	0	302.290	0.018	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O	ZINC001572822816	1163324204	/nfs/dbraw/zinc/32/42/04/1163324204.db2.gz	ILKCCJDWHNGODF-GHMZBOCLSA-N	-1	0	322.365	0.082	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1COC	ZINC001573379515	1163420829	/nfs/dbraw/zinc/42/08/29/1163420829.db2.gz	LPZOPOKHYHVNBO-LLVKDONJSA-N	-1	0	315.347	0.356	20	30		DCEDRM
C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)c2cccc(C#N)n2)CC1	ZINC001574096888	1163634645	/nfs/dbraw/zinc/63/46/45/1163634645.db2.gz	GOLPLWLYJMYIJU-JOCHJYFZSA-N	-1	0	321.358	0.391	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO	ZINC001574113131	1163639740	/nfs/dbraw/zinc/63/97/40/1163639740.db2.gz	LSGSOFVATQUSHX-AAEUAGOBSA-N	-1	0	318.333	0.959	20	30		DCEDRM
Cc1cc(NC(=O)N2C[C@@H](C(=O)[O-])C3(COC3)C2)ncc1C#N	ZINC001574141361	1163647542	/nfs/dbraw/zinc/64/75/42/1163647542.db2.gz	LDXIRFYAIRQXMM-NSHDSACASA-N	-1	0	316.317	0.827	20	30		DCEDRM
N#CCc1cccc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)c1	ZINC001574241135	1163671868	/nfs/dbraw/zinc/67/18/68/1163671868.db2.gz	IDUKCQMTDGFCAI-OLZOCXBDSA-N	-1	0	303.318	0.453	20	30		DCEDRM
N#Cc1c(NC(=O)C2CCN(C(=O)[O-])CC2)nc2n1CCOC2	ZINC001574242093	1163672009	/nfs/dbraw/zinc/67/20/09/1163672009.db2.gz	VRLDQORLRYEVIA-UHFFFAOYSA-N	-1	0	319.321	0.613	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)NCc2cc(C(=O)[O-])no2)cc1	ZINC001574242006	1163672449	/nfs/dbraw/zinc/67/24/49/1163672449.db2.gz	TUMJGOUBYJDWSV-UHFFFAOYSA-N	-1	0	321.314	0.917	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO	ZINC001574241801	1163672622	/nfs/dbraw/zinc/67/26/22/1163672622.db2.gz	RRGSENSRRUWHAS-KBPBESRZSA-N	-1	0	317.345	0.382	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)NCc2[nH]cnc2C(=O)[O-])cc1	ZINC001574245666	1163673694	/nfs/dbraw/zinc/67/36/94/1163673694.db2.gz	WFCUGDGQUKXHFM-LBPRGKRZSA-N	-1	0	300.274	0.329	20	30		DCEDRM
N#Cc1ccc(Br)cc1S(=O)(=O)NCC(=O)[O-]	ZINC001574790879	1163753602	/nfs/dbraw/zinc/75/36/02/1163753602.db2.gz	JTVLGQXBCOWKBT-UHFFFAOYSA-N	-1	0	319.136	0.684	20	30		DCEDRM
C[C@@H](O)C[C@@H]1CCCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001575479338	1164030638	/nfs/dbraw/zinc/03/06/38/1164030638.db2.gz	ABOLESRMFGDDDV-ZJUUUORDSA-N	-1	0	314.353	0.658	20	30		DCEDRM
CCCN(CC(=O)OCC)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001577576471	1164727735	/nfs/dbraw/zinc/72/77/35/1164727735.db2.gz	YWHNDGHFFBSTCZ-UHFFFAOYSA-N	-1	0	316.325	0.308	20	30		DCEDRM
CCN(CCC#N)Cc1cc(=O)n2[n-]cc(-c3nn[nH]n3)c2n1	ZINC001577909173	1164834719	/nfs/dbraw/zinc/83/47/19/1164834719.db2.gz	FXFLQSJYIRGZQG-UHFFFAOYSA-N	-1	0	313.325	0.351	20	30		DCEDRM
N#CCN(C(=O)Cc1ccc(-c2nn[nH]n2)nc1)c1ccccn1	ZINC001581858029	1165889383	/nfs/dbraw/zinc/88/93/83/1165889383.db2.gz	OBPPPLDDIBBPIW-UHFFFAOYSA-N	-1	0	320.316	0.756	20	30		DCEDRM
N#CCCN(C(=O)Cn1cc(-c2nnn[n-]2)nn1)c1ccccc1	ZINC001581857673	1165890269	/nfs/dbraw/zinc/89/02/69/1165890269.db2.gz	FQWCKDOYTNKXOA-UHFFFAOYSA-N	-1	0	323.320	0.405	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)[n-]c1-c1nn[nH]n1	ZINC001581860734	1165891335	/nfs/dbraw/zinc/89/13/35/1165891335.db2.gz	QPXDNABJWFXZFC-DTWKUNHWSA-N	-1	0	321.304	0.599	20	30		DCEDRM
N#Cc1nc(NC(=O)CCc2ccc(O)cc2)[n-]c1-c1nn[nH]n1	ZINC001581860112	1165892285	/nfs/dbraw/zinc/89/22/85/1165892285.db2.gz	LAAMDEWOAGPFIP-UHFFFAOYSA-N	-1	0	324.304	0.738	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)CNc1ccc(S(N)(=O)=O)cc1F	ZINC001583409053	1166251382	/nfs/dbraw/zinc/25/13/82/1166251382.db2.gz	VVRLVYCAQBFQFA-QMMMGPOBSA-N	-1	0	317.342	0.507	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001588519144	1166560303	/nfs/dbraw/zinc/56/03/03/1166560303.db2.gz	SZEUBDXNWKTGEP-VIFPVBQESA-N	-1	0	316.321	0.219	20	30		DCEDRM
C=CCCC[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1	ZINC001588594114	1166566227	/nfs/dbraw/zinc/56/62/27/1166566227.db2.gz	LNXNGFFYUUVVEB-MRVPVSSYSA-N	-1	0	305.342	0.823	20	30		DCEDRM
C[C@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)n1ccnc1	ZINC001589795205	1166687514	/nfs/dbraw/zinc/68/75/14/1166687514.db2.gz	SXIDUVLIYVQAEZ-SSDOTTSWSA-N	-1	0	312.297	0.248	20	30		DCEDRM
C[C@@H]1CCC[C@@H](CNc2cnc(-c3nn[nH]n3)c(C#N)n2)O1	ZINC001590241915	1166824534	/nfs/dbraw/zinc/82/45/34/1166824534.db2.gz	IWDNITZRCKKWKA-BDAKNGLRSA-N	-1	0	300.326	0.898	20	30		DCEDRM
CCn1ncnc1C=Nn1c(C)cc(C)c(-c2nnn[n-]2)c1=O	ZINC001590971155	1167064033	/nfs/dbraw/zinc/06/40/33/1167064033.db2.gz	QYYBCXZVTZJYOU-UHFFFAOYSA-N	-1	0	313.325	0.139	20	30		DCEDRM
CN(C(=O)Cn1cc(-c2nnn[n-]2)nn1)C1(C#N)CCCCC1	ZINC001590986218	1167066760	/nfs/dbraw/zinc/06/67/60/1167066760.db2.gz	AUBHWQIBMMHTRJ-UHFFFAOYSA-N	-1	0	315.341	0.143	20	30		DCEDRM
COCc1nc(Cn2cnc(-c3nnn[n-]3)c2C#N)cs1	ZINC001591459062	1167294036	/nfs/dbraw/zinc/29/40/36/1167294036.db2.gz	BXFCYFKGYAPSJT-UHFFFAOYSA-N	-1	0	302.323	0.586	20	30		DCEDRM
Cc1cc(C#N)nc(NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1	ZINC001600075509	1168112467	/nfs/dbraw/zinc/11/24/67/1168112467.db2.gz	CIOKBCMLAMLIAG-MNOVXSKESA-N	-1	0	315.333	0.438	20	30		DCEDRM
Cc1cc(NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c(C#N)cn1	ZINC001600280202	1168154080	/nfs/dbraw/zinc/15/40/80/1168154080.db2.gz	ZIRFAJCRWQAKRB-NWDGAFQWSA-N	-1	0	314.345	0.465	20	30		DCEDRM
Cc1ncc(-c2nnc(N3CC[C@@H](C(=O)[O-])C3)n2C)cc1C#N	ZINC001600732227	1168266476	/nfs/dbraw/zinc/26/64/76/1168266476.db2.gz	IMRIORNIPKHAGA-SNVBAGLBSA-N	-1	0	312.333	0.968	20	30		DCEDRM
Cc1onc(CC(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c1C#N	ZINC001600864822	1168492583	/nfs/dbraw/zinc/49/25/83/1168492583.db2.gz	YENLHMYPVICBIM-GFCCVEGCSA-N	-1	0	303.278	0.073	20	30		DCEDRM
Cn1c(-c2cnn(CCC#N)c2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001600892940	1168496379	/nfs/dbraw/zinc/49/63/79/1168496379.db2.gz	CLRBHIBHAMVDOX-SNVBAGLBSA-N	-1	0	315.337	0.503	20	30		DCEDRM
Cn1ncc2c1nc(NN=Cc1ccc(C(=O)[O-])n1C)[nH]c2=O	ZINC001600912618	1168506068	/nfs/dbraw/zinc/50/60/68/1168506068.db2.gz	SGQOLSOCNNLXBX-UHFFFAOYSA-N	-1	0	315.293	0.552	20	30		DCEDRM
Cn1cc(C=NNc2nc3c(cnn3C)c(=O)[nH]2)cc1C(=O)[O-]	ZINC001600944206	1168524088	/nfs/dbraw/zinc/52/40/88/1168524088.db2.gz	IMGGYCBPWFAOGV-UHFFFAOYSA-N	-1	0	315.293	0.552	20	30		DCEDRM
Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)N(CC#N)CC(=O)[O-]	ZINC001601005604	1168559767	/nfs/dbraw/zinc/55/97/67/1168559767.db2.gz	PQMWMPFFFMMMHY-UHFFFAOYSA-N	-1	0	322.321	0.426	20	30		DCEDRM
Cn1ncc(C(=O)N(CC#N)CCC(=O)[O-])c1C(F)(F)F	ZINC001601019791	1168566667	/nfs/dbraw/zinc/56/66/67/1168566667.db2.gz	QZUXYYIDVAUNGP-UHFFFAOYSA-N	-1	0	304.228	0.879	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN(C3CC3)C2=O)CC1	ZINC001601049670	1168577469	/nfs/dbraw/zinc/57/74/69/1168577469.db2.gz	UGKAQGRCUOXBKB-GFCCVEGCSA-N	-1	0	319.361	0.604	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCC#C[C@@H]2CCCCO2)CC1	ZINC001601052005	1168577902	/nfs/dbraw/zinc/57/79/02/1168577902.db2.gz	XCOLFRQMEQNCIZ-ZDUSSCGKSA-N	-1	0	319.361	0.959	20	30		DCEDRM
N#CC1(CNC(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CC1	ZINC001601056252	1168578193	/nfs/dbraw/zinc/57/81/93/1168578193.db2.gz	FBYHDAWQUYJCNH-UHFFFAOYSA-N	-1	0	316.317	0.926	20	30		DCEDRM
N#CC1(CNC(=O)NCCn2cc(C(=O)[O-])nn2)CCCC1	ZINC001601056441	1168578461	/nfs/dbraw/zinc/57/84/61/1168578461.db2.gz	JKMRECVRPVBMHT-UHFFFAOYSA-N	-1	0	306.326	0.359	20	30		DCEDRM
N#CC1(NC(=O)CN2CCC[C@H](O)[C@H]2C(=O)[O-])CCCCC1	ZINC001601056943	1168578650	/nfs/dbraw/zinc/57/86/50/1168578650.db2.gz	FWPXBTHECZLWDV-AAEUAGOBSA-N	-1	0	309.366	0.239	20	30		DCEDRM
N#CCCCCNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001601065791	1168579947	/nfs/dbraw/zinc/57/99/47/1168579947.db2.gz	RAUXJHAYAYJNHZ-NSHDSACASA-N	-1	0	307.350	0.510	20	30		DCEDRM
N#CCCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1	ZINC001601068260	1168580243	/nfs/dbraw/zinc/58/02/43/1168580243.db2.gz	PBUOUFCEXZSUKI-UHFFFAOYSA-N	-1	0	313.335	0.198	20	30		DCEDRM
N#CCCn1ccc(NC(=O)N2CCC(O)(C(=O)[O-])CC2)n1	ZINC001601069204	1168580251	/nfs/dbraw/zinc/58/02/51/1168580251.db2.gz	AIYWVKASKWMAFF-UHFFFAOYSA-N	-1	0	307.310	0.240	20	30		DCEDRM
N#CCN1CCC(N2C(=O)[C@@H]3C[C@H](C(=O)[O-])CCN3C2=O)CC1	ZINC001601073333	1168581765	/nfs/dbraw/zinc/58/17/65/1168581765.db2.gz	PTHIXQKWMXXBGJ-PWSUYJOCSA-N	-1	0	320.349	0.102	20	30		DCEDRM
N#CCOc1cccc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)c1	ZINC001601075201	1168582332	/nfs/dbraw/zinc/58/23/32/1168582332.db2.gz	CPBMYWFCPFXFPH-UHFFFAOYSA-N	-1	0	317.301	0.651	20	30		DCEDRM
N#CC[C@@H]1CC[C@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1	ZINC001601075712	1168582472	/nfs/dbraw/zinc/58/24/72/1168582472.db2.gz	PIOOCBGCENTBBW-SRVKXCTJSA-N	-1	0	307.350	0.508	20	30		DCEDRM
N#CCc1ccc(OC[C@H](O)CN2CCOC[C@H]2C(=O)[O-])cc1	ZINC001601077332	1168582552	/nfs/dbraw/zinc/58/25/52/1168582552.db2.gz	YCSZQPZUQUZAQT-HIFRSBDPSA-N	-1	0	320.345	0.278	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])c(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1F	ZINC001601091028	1168583857	/nfs/dbraw/zinc/58/38/57/1168583857.db2.gz	HQICOTSVKGAORE-RKDXNWHRSA-N	-1	0	309.253	0.877	20	30		DCEDRM
N#Cc1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)nc1Cl	ZINC001601091950	1168584131	/nfs/dbraw/zinc/58/41/31/1168584131.db2.gz	HXNMEPRZTVTAIU-ZDUSSCGKSA-N	-1	0	309.709	0.828	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC001601104859	1168585103	/nfs/dbraw/zinc/58/51/03/1168585103.db2.gz	MYLADWLXCXSIJU-QWHCGFSZSA-N	-1	0	303.318	0.089	20	30		DCEDRM
N#Cc1ccc(CNC(=O)Cn2cccc(C(=O)[O-])c2=O)cc1	ZINC001601100528	1168585277	/nfs/dbraw/zinc/58/52/77/1168585277.db2.gz	OQWZPXXPLOPDFK-UHFFFAOYSA-N	-1	0	311.297	0.735	20	30		DCEDRM
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@](O)(C(=O)[O-])C1	ZINC001601103316	1168585379	/nfs/dbraw/zinc/58/53/79/1168585379.db2.gz	CUZWQILMNHBMMS-AWEZNQCLSA-N	-1	0	323.736	0.672	20	30		DCEDRM
N#Cc1ccc(CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC001601100921	1168585486	/nfs/dbraw/zinc/58/54/86/1168585486.db2.gz	RDWGGEBZEFSZNX-CHWSQXEVSA-N	-1	0	305.290	0.876	20	30		DCEDRM
N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@H]2C(=O)[O-])nc1	ZINC001601106790	1168586007	/nfs/dbraw/zinc/58/60/07/1168586007.db2.gz	CUYWNXQXBSZYDQ-ZXPJVPCYSA-N	-1	0	312.329	0.225	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])nc1	ZINC001601108873	1168586158	/nfs/dbraw/zinc/58/61/58/1168586158.db2.gz	XQOKBZIRVPDUMT-MRVPVSSYSA-N	-1	0	316.239	0.887	20	30		DCEDRM
N#Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1	ZINC001601107530	1168586465	/nfs/dbraw/zinc/58/64/65/1168586465.db2.gz	UVVLZYCOMYLOCL-GFCCVEGCSA-N	-1	0	316.317	0.755	20	30		DCEDRM
N#Cc1cccc([C@H](C(=O)[O-])N2CCO[C@@H](CC(N)=O)C2)c1	ZINC001601119536	1168587554	/nfs/dbraw/zinc/58/75/54/1168587554.db2.gz	SNIIMINNGYBUFY-GXTWGEPZSA-N	-1	0	303.318	0.260	20	30		DCEDRM
N#Cc1cccc(OCC(=O)NCCn2cc(C(=O)[O-])nn2)c1	ZINC001601121882	1168588439	/nfs/dbraw/zinc/58/84/39/1168588439.db2.gz	YIFHKELFJRLTJP-UHFFFAOYSA-N	-1	0	315.289	0.043	20	30		DCEDRM
N#Cc1ccnc(C(=O)NCC2(CC(=O)[O-])CCOCC2)c1	ZINC001601127147	1168589432	/nfs/dbraw/zinc/58/94/32/1168589432.db2.gz	DINRMFPKXKSXGJ-UHFFFAOYSA-N	-1	0	303.318	0.955	20	30		DCEDRM
N#Cc1ccncc1N1CCN(c2nccc(C(=O)[O-])n2)CC1	ZINC001601128721	1168590314	/nfs/dbraw/zinc/59/03/14/1168590314.db2.gz	VESVWBOCTZCZEZ-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1ccccc1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001601125530	1168590442	/nfs/dbraw/zinc/59/04/42/1168590442.db2.gz	JLKLLMQCYJQEJO-LLVKDONJSA-N	-1	0	301.302	0.820	20	30		DCEDRM
N#Cc1cncc(NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CCC2)n1	ZINC001601131173	1168590933	/nfs/dbraw/zinc/59/09/33/1168590933.db2.gz	RTAVESWYXDPVOP-MNOVXSKESA-N	-1	0	315.333	0.520	20	30		DCEDRM
N#Cc1ccsc1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001601129916	1168590963	/nfs/dbraw/zinc/59/09/63/1168590963.db2.gz	ZGUFPCNMJFHZLN-SECBINFHSA-N	-1	0	323.330	0.260	20	30		DCEDRM
N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1	ZINC001601130411	1168591256	/nfs/dbraw/zinc/59/12/56/1168591256.db2.gz	OMVAVLQKDWQFQK-IQIPOGNMSA-N	-1	0	315.333	0.376	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2CCc3c(cccc3C(=O)[O-])C2)n1	ZINC001601135104	1168592620	/nfs/dbraw/zinc/59/26/20/1168592620.db2.gz	HUPLUZOJSUSIOU-UHFFFAOYSA-N	-1	0	311.301	0.433	20	30		DCEDRM
O=C([O-])C[C@@]1(NC(=O)c2cccc(C#CCO)c2)CCCOC1	ZINC001601931395	1168937987	/nfs/dbraw/zinc/93/79/87/1168937987.db2.gz	LNWYGESNWVIKAH-KRWDZBQOSA-N	-1	0	317.341	0.784	20	30		DCEDRM
O=C([O-])Cc1nc(NC(=O)C(=O)C=Cc2ccc(F)cc2)n[nH]1	ZINC001602155023	1169004009	/nfs/dbraw/zinc/00/40/09/1169004009.db2.gz	YVOCQGUIPWPNNX-ZZXKWVIFSA-N	-1	0	318.264	0.792	20	30		DCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC001602670372	1169155813	/nfs/dbraw/zinc/15/58/13/1169155813.db2.gz	SZANKGWTEKAHBR-QMMMGPOBSA-N	-1	0	318.285	0.248	20	30		DCEDRM
C#CC1(O)CN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1	ZINC001602677443	1169156638	/nfs/dbraw/zinc/15/66/38/1169156638.db2.gz	XZFALAWDVUPWPD-UHFFFAOYSA-N	-1	0	304.302	0.752	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)[C@@H]1CCCO1	ZINC001602678573	1169157025	/nfs/dbraw/zinc/15/70/25/1169157025.db2.gz	NMLSFZMNEKAAQI-MNOVXSKESA-N	-1	0	313.331	0.745	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1)C(=O)[O-]	ZINC001602685137	1169158336	/nfs/dbraw/zinc/15/83/36/1169158336.db2.gz	NJOWTJZTDLUOSX-SCZZXKLOSA-N	-1	0	310.306	0.066	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCc1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC001602687561	1169158404	/nfs/dbraw/zinc/15/84/04/1169158404.db2.gz	PZCHKEQPGXQBMQ-CYBMUJFWSA-N	-1	0	323.370	0.615	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1cc(OC)c(O)c(OC)c1)C(=O)[O-]	ZINC001602687077	1169158424	/nfs/dbraw/zinc/15/84/24/1169158424.db2.gz	HHJYZMSWFFQBTD-SNVBAGLBSA-N	-1	0	307.302	0.545	20	30		DCEDRM
C#CC[C@H](COC)NS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC001602683533	1169158431	/nfs/dbraw/zinc/15/84/31/1169158431.db2.gz	RCJKXYGRKMCALU-CYBMUJFWSA-N	-1	0	311.359	0.843	20	30		DCEDRM
C#CC1(F)CN(C(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)C1	ZINC001602690933	1169160755	/nfs/dbraw/zinc/16/07/55/1169160755.db2.gz	MWVRQBONIYLAAP-UHFFFAOYSA-N	-1	0	302.269	0.073	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(C)c(S(C)(=O)=O)c1)C(=O)[O-]	ZINC001602693446	1169162548	/nfs/dbraw/zinc/16/25/48/1169162548.db2.gz	UOXLCITUHOOLCH-NSHDSACASA-N	-1	0	309.343	0.605	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cn1cnc2c(C)cccc2c1=O)C(=O)[O-]	ZINC001602691823	1169162611	/nfs/dbraw/zinc/16/26/11/1169162611.db2.gz	AVGKURSMYZKDJY-GFCCVEGCSA-N	-1	0	313.313	0.298	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cn(C)nc1C(C)(C)C)C(=O)[O-]	ZINC001602698429	1169164272	/nfs/dbraw/zinc/16/42/72/1169164272.db2.gz	HADPUDRELWXNGX-SECBINFHSA-N	-1	0	313.379	0.472	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(C)c(C(=O)OC)o1)C(=O)[O-]	ZINC001602698773	1169164389	/nfs/dbraw/zinc/16/43/89/1169164389.db2.gz	UZUDPDLOBWUHPL-MRVPVSSYSA-N	-1	0	315.303	0.129	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1	ZINC001602713741	1169167641	/nfs/dbraw/zinc/16/76/41/1169167641.db2.gz	QRWNSJVBKCDOAJ-VIFPVBQESA-N	-1	0	322.292	0.708	20	30		DCEDRM
C#CCN(CC(=O)NCc1cccc(-c2nn[nH]n2)c1)C1CC1	ZINC001602720096	1169171001	/nfs/dbraw/zinc/17/10/01/1169171001.db2.gz	NRCZFSZQJJCZSN-UHFFFAOYSA-N	-1	0	310.361	0.581	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1	ZINC001602730607	1169174317	/nfs/dbraw/zinc/17/43/17/1169174317.db2.gz	UZTAGLULLJCRIL-OLZOCXBDSA-N	-1	0	303.314	0.606	20	30		DCEDRM
C#CCOCCNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001602728163	1169174468	/nfs/dbraw/zinc/17/44/68/1169174468.db2.gz	KYWQRJMZRHUFRO-JTQLQIEISA-N	-1	0	306.322	0.365	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F	ZINC001602730447	1169174839	/nfs/dbraw/zinc/17/48/39/1169174839.db2.gz	JNAQCUNHPSIVAE-UHFFFAOYSA-N	-1	0	319.285	0.591	20	30		DCEDRM
C#Cc1cccc(CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1	ZINC001602742484	1169175995	/nfs/dbraw/zinc/17/59/95/1169175995.db2.gz	VLNYNBXVBVBFTD-QWRGUYRKSA-N	-1	0	317.345	0.445	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC001602749159	1169177557	/nfs/dbraw/zinc/17/75/57/1169177557.db2.gz	POCTUEQNNJTTIM-UWVGGRQHSA-N	-1	0	304.368	0.234	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC001602755165	1169179032	/nfs/dbraw/zinc/17/90/32/1169179032.db2.gz	JIHRVGUNCMMCRJ-BDAKNGLRSA-N	-1	0	310.272	0.979	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001602764874	1169181656	/nfs/dbraw/zinc/18/16/56/1169181656.db2.gz	VMDJZPWZVSVJCN-WYUUTHIRSA-N	-1	0	303.380	0.987	20	30		DCEDRM
C=C(C)Cn1c(CCOCC)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602767595	1169181985	/nfs/dbraw/zinc/18/19/85/1169181985.db2.gz	ARCFENXVFSCTQE-GFCCVEGCSA-N	-1	0	324.381	0.723	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1	ZINC001602788087	1169185134	/nfs/dbraw/zinc/18/51/34/1169185134.db2.gz	YJARQAQHWKULKR-UHFFFAOYSA-N	-1	0	321.337	0.268	20	30		DCEDRM
C=CC(C)(C)Cn1nnnc1N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001602809138	1169186450	/nfs/dbraw/zinc/18/64/50/1169186450.db2.gz	BPCVRIXEBBXTNK-LLVKDONJSA-N	-1	0	309.370	0.547	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001602806121	1169187036	/nfs/dbraw/zinc/18/70/36/1169187036.db2.gz	RXPOFMFOOCZGCE-NEPJUHHUSA-N	-1	0	308.378	0.980	20	30		DCEDRM
C=CCC1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCCC1	ZINC001602817387	1169188536	/nfs/dbraw/zinc/18/85/36/1169188536.db2.gz	HCWONAMZOWQZAP-UHFFFAOYSA-N	-1	0	316.369	0.711	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001602857922	1169194748	/nfs/dbraw/zinc/19/47/48/1169194748.db2.gz	ZDESNVNWQIASPU-GFCCVEGCSA-N	-1	0	306.318	0.767	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)c1cncn1CC)C(=O)[O-]	ZINC001602872625	1169196096	/nfs/dbraw/zinc/19/60/96/1169196096.db2.gz	LRWJHLQXPKXRGM-SNVBAGLBSA-N	-1	0	301.368	0.991	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(-c2nn[nH]n2)oc1C	ZINC001602863922	1169197108	/nfs/dbraw/zinc/19/71/08/1169197108.db2.gz	RVQMSBWUUSQKIQ-SECBINFHSA-N	-1	0	300.278	0.393	20	30		DCEDRM
C=CCCN(C)C(=O)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001602880038	1169197918	/nfs/dbraw/zinc/19/79/18/1169197918.db2.gz	AVJDOXZRJCCCNC-BWBHSNQOSA-N	-1	0	324.377	0.550	20	30		DCEDRM
C=CCN([C@@H](C)COC)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001602887123	1169198606	/nfs/dbraw/zinc/19/86/06/1169198606.db2.gz	HYIWJVWUIIJAIK-JTQLQIEISA-N	-1	0	314.363	0.991	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC001602880756	1169198690	/nfs/dbraw/zinc/19/86/90/1169198690.db2.gz	BITBKKRAOYZJHA-WBMJQRKESA-N	-1	0	324.377	0.551	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001602890714	1169199247	/nfs/dbraw/zinc/19/92/47/1169199247.db2.gz	DUEMERXAMYJZJJ-UHFFFAOYSA-N	-1	0	309.322	0.323	20	30		DCEDRM
C=CCN1C(=O)C(=O)N(CCOc2cccc(C(=O)[O-])c2)C1=O	ZINC001602897649	1169200710	/nfs/dbraw/zinc/20/07/10/1169200710.db2.gz	BRHVZLPBXFQMOD-UHFFFAOYSA-N	-1	0	318.285	0.740	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])[nH]1	ZINC001602902238	1169201288	/nfs/dbraw/zinc/20/12/88/1169201288.db2.gz	UYUHXSZDFZDIJC-ZETCQYMHSA-N	-1	0	309.278	0.270	20	30		DCEDRM
C=CCN1CC[C@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1=O	ZINC001602901386	1169201858	/nfs/dbraw/zinc/20/18/58/1169201858.db2.gz	HXKFCSPFHDACHS-ZDUSSCGKSA-N	-1	0	317.345	0.700	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(/C=C\C(=O)OC)o1)C(=O)[O-]	ZINC001602913046	1169202904	/nfs/dbraw/zinc/20/29/04/1169202904.db2.gz	HGUUKCAMSZKVPW-XOIDGJRKSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CC(c2ccccc2)=NO1)C(=O)[O-]	ZINC001602909904	1169203060	/nfs/dbraw/zinc/20/30/60/1169203060.db2.gz	LRJINRNLXOBNSG-ZIAGYGMSSA-N	-1	0	318.329	0.952	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnc2c(cnn2C)c1)C(=O)[O-]	ZINC001602913101	1169203206	/nfs/dbraw/zinc/20/32/06/1169203206.db2.gz	IBNIXBLYKSLCAV-LLVKDONJSA-N	-1	0	304.306	0.354	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001602925193	1169209202	/nfs/dbraw/zinc/20/92/02/1169209202.db2.gz	WBKURGPWFNSKKH-WDEREUQCSA-N	-1	0	318.395	0.530	20	30		DCEDRM
C=CCn1c(CCOCC)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001602935467	1169212402	/nfs/dbraw/zinc/21/24/02/1169212402.db2.gz	MMHYMIXWIUGBIH-GFCCVEGCSA-N	-1	0	324.381	0.723	20	30		DCEDRM
C=CCn1cc(C(=O)N2CCCC[C@]2(COC)C(=O)[O-])nn1	ZINC001602938101	1169213438	/nfs/dbraw/zinc/21/34/38/1169213438.db2.gz	SPHQQIWEQXWKEI-AWEZNQCLSA-N	-1	0	308.338	0.560	20	30		DCEDRM
C=CCn1nnnc1SCC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001602939768	1169213590	/nfs/dbraw/zinc/21/35/90/1169213590.db2.gz	BPNCKKHWBIANKR-UHFFFAOYSA-N	-1	0	320.334	0.683	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001602941905	1169214196	/nfs/dbraw/zinc/21/41/96/1169214196.db2.gz	MYQAJRNJGWRKHL-SLEUVZQESA-N	-1	0	321.381	0.955	20	30		DCEDRM
CC#CCN(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC001602949751	1169217993	/nfs/dbraw/zinc/21/79/93/1169217993.db2.gz	RNMCYDPRGGMNFN-OAHLLOKOSA-N	-1	0	300.358	0.980	20	30		DCEDRM
CC#CCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC001602947208	1169219121	/nfs/dbraw/zinc/21/91/21/1169219121.db2.gz	RNYKIFCZACOPGL-CYBMUJFWSA-N	-1	0	316.313	0.395	20	30		DCEDRM
C[C@H](C(=O)OCC1(C#N)CCC1)n1cnc(-c2nnn[n-]2)n1	ZINC001603032269	1169234799	/nfs/dbraw/zinc/23/47/99/1169234799.db2.gz	PAJHMBKMSRNWEQ-MRVPVSSYSA-N	-1	0	302.298	0.256	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@](C)(CNc2ccnc(C(=O)[O-])n2)C1	ZINC001603129377	1169249929	/nfs/dbraw/zinc/24/99/29/1169249929.db2.gz	DZQFNLGRECVGAE-MEBBXXQBSA-N	-1	0	317.349	0.407	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@@](C)(CNc2ccnc(C(=O)[O-])n2)C1	ZINC001603129376	1169250687	/nfs/dbraw/zinc/25/06/87/1169250687.db2.gz	DZQFNLGRECVGAE-BONVTDFDSA-N	-1	0	317.349	0.407	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@H](N(C)c2ccnc(C(=O)[O-])n2)C1	ZINC001603129525	1169251200	/nfs/dbraw/zinc/25/12/00/1169251200.db2.gz	JQIBFJOOULZTMQ-ZJUUUORDSA-N	-1	0	303.322	0.372	20	30		DCEDRM
C[C@@H](C(=O)N1CCC(CCC(=O)[O-])CC1)n1cnc(C#N)n1	ZINC001603140963	1169252963	/nfs/dbraw/zinc/25/29/63/1169252963.db2.gz	KVOUGYOYJBBTEY-JTQLQIEISA-N	-1	0	305.338	0.814	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC001603575903	1169329461	/nfs/dbraw/zinc/32/94/61/1169329461.db2.gz	POZYDEZYMANJHD-UHFFFAOYSA-N	-1	0	304.368	0.168	20	30		DCEDRM
CC1(C)C[C@@H](O)CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001603765557	1169384720	/nfs/dbraw/zinc/38/47/20/1169384720.db2.gz	UAXDIRLKYIPYLS-MRVPVSSYSA-N	-1	0	300.326	0.126	20	30		DCEDRM
C[C@](CC(=O)[O-])(NS(=O)(=O)c1cncc(C#N)c1)C1CC1	ZINC001604090313	1169489546	/nfs/dbraw/zinc/48/95/46/1169489546.db2.gz	NPGVDPCHVBUGQS-CYBMUJFWSA-N	-1	0	309.347	0.875	20	30		DCEDRM
C[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ncnn1C	ZINC001604278730	1169544760	/nfs/dbraw/zinc/54/47/60/1169544760.db2.gz	FXBLYWIFQHHRDQ-VIFPVBQESA-N	-1	0	306.326	0.276	20	30		DCEDRM
C[C@H](NC(=O)N1CCO[C@H](C#N)C1)c1ncc(C(=O)[O-])s1	ZINC001604281370	1169545669	/nfs/dbraw/zinc/54/56/69/1169545669.db2.gz	CUEPPVKYMZTYKH-JGVFFNPUSA-N	-1	0	310.335	0.836	20	30		DCEDRM
CCOC[C@@H]1CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001604421650	1169589959	/nfs/dbraw/zinc/58/99/59/1169589959.db2.gz	ZNDVAMDDKXGCOR-SNVBAGLBSA-N	-1	0	314.353	0.781	20	30		DCEDRM
C[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001604644594	1169641803	/nfs/dbraw/zinc/64/18/03/1169641803.db2.gz	NQQBIZWVZKXMOG-GXSJLCMTSA-N	-1	0	324.358	0.648	20	30		DCEDRM
CN(C)c1ccc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)cn1	ZINC001604703909	1169659445	/nfs/dbraw/zinc/65/94/45/1169659445.db2.gz	FKCPRUQRBGRWSA-UHFFFAOYSA-N	-1	0	322.336	0.601	20	30		DCEDRM
C[C@H]1CCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C[C@H]1C	ZINC001604740374	1169667729	/nfs/dbraw/zinc/66/77/29/1169667729.db2.gz	PVFCOUWRFLHHKL-NWDGAFQWSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2cncc(C(=O)[O-])c2)C[C@@H](C)N1CC#N	ZINC001604782448	1169679597	/nfs/dbraw/zinc/67/95/97/1169679597.db2.gz	CLBRSRZYOSMXCE-GHMZBOCLSA-N	-1	0	302.334	0.838	20	30		DCEDRM
CC[C@@H](CO)N(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001605043129	1169794187	/nfs/dbraw/zinc/79/41/87/1169794187.db2.gz	OJGQAMYZBGKHIW-JTQLQIEISA-N	-1	0	312.347	0.648	20	30		DCEDRM
CC[C@@](COC)(NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC001605047682	1169795340	/nfs/dbraw/zinc/79/53/40/1169795340.db2.gz	JCXYXRMWZIQKOB-INIZCTEOSA-N	-1	0	319.313	0.763	20	30		DCEDRM
CCCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(C#N)nn1	ZINC001605316507	1169893855	/nfs/dbraw/zinc/89/38/55/1169893855.db2.gz	WCXLLXCCEPIICD-NEPJUHHUSA-N	-1	0	317.349	0.402	20	30		DCEDRM
CCN(CCC#N)C(=O)CN1CCCC[C@@]1(COC)C(=O)[O-]	ZINC001605438376	1169920631	/nfs/dbraw/zinc/92/06/31/1169920631.db2.gz	ZJNSSVVHRPEMIV-OAHLLOKOSA-N	-1	0	311.382	0.704	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001605588786	1169967580	/nfs/dbraw/zinc/96/75/80/1169967580.db2.gz	IWEPUWUBDMECHQ-UHFFFAOYSA-N	-1	0	323.320	0.068	20	30		DCEDRM
Cc1ccc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)cc1C#N	ZINC001605820001	1170008771	/nfs/dbraw/zinc/00/87/71/1170008771.db2.gz	HOODFRPCQTYNIR-UHFFFAOYSA-N	-1	0	323.320	0.068	20	30		DCEDRM
Cc1nn(Cc2ccc(C#N)cc2)c(=O)c(-c2nnn[n-]2)c1C	ZINC001606115953	1170081945	/nfs/dbraw/zinc/08/19/45/1170081945.db2.gz	KURMTJPSSONAFV-UHFFFAOYSA-N	-1	0	307.317	0.960	20	30		DCEDRM
CN(CCCNc1ncccc1C#N)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001606122555	1170084782	/nfs/dbraw/zinc/08/47/82/1170084782.db2.gz	OVVPRNULHNBFRR-VXGBXAGGSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(-c2nn[nH]n2)[nH]1	ZINC001606336999	1170161932	/nfs/dbraw/zinc/16/19/32/1170161932.db2.gz	OVOLTCMQYUTDRR-SECBINFHSA-N	-1	0	313.321	0.576	20	30		DCEDRM
N#CC1(NS(=O)(=O)c2cc(F)cc(-c3nn[nH]n3)c2)CC1	ZINC001606344738	1170163011	/nfs/dbraw/zinc/16/30/11/1170163011.db2.gz	SKPJYJDXVKPSPM-UHFFFAOYSA-N	-1	0	308.298	0.340	20	30		DCEDRM
N#Cc1cccc(NC2CN(c3ccnc(-c4nnn[n-]4)n3)C2)c1	ZINC001606382101	1170175927	/nfs/dbraw/zinc/17/59/27/1170175927.db2.gz	WQPAXLVOXADKBG-UHFFFAOYSA-N	-1	0	319.332	0.829	20	30		DCEDRM
N#Cc1ncc(N[C@@H](CO)c2ccccc2)nc1-c1nnn[n-]1	ZINC001606398194	1170184101	/nfs/dbraw/zinc/18/41/01/1170184101.db2.gz	PXLAUXPHFHOTLO-NSHDSACASA-N	-1	0	308.305	0.674	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN1CC(=O)N[C@@](C)(C#N)C(C)C	ZINC001606833794	1170306711	/nfs/dbraw/zinc/30/67/11/1170306711.db2.gz	VRLUGPXDYSCDJX-GJZGRUSLSA-N	-1	0	311.382	0.606	20	30		DCEDRM
C[C@@H](CCNC(=O)CSCC#N)Nc1ccnc(C(=O)[O-])n1	ZINC001607420120	1170448362	/nfs/dbraw/zinc/44/83/62/1170448362.db2.gz	YZJDZCPPXUHGRV-VIFPVBQESA-N	-1	0	323.378	0.160	20	30		DCEDRM
Cc1c(C#N)c(NC(=O)CCCn2ccc(C(=O)[O-])n2)nn1C	ZINC001607504613	1170469976	/nfs/dbraw/zinc/46/99/76/1170469976.db2.gz	PTDMZYZWLSTJPX-UHFFFAOYSA-N	-1	0	316.321	0.914	20	30		DCEDRM
Cc1c(Cl)c(/C=C\C(=O)c2cn(CC(=O)[O-])nn2)nn1C	ZINC001607531549	1170474260	/nfs/dbraw/zinc/47/42/60/1170474260.db2.gz	LXXYFYYYEJPOPA-ARJAWSKDSA-N	-1	0	309.713	0.954	20	30		DCEDRM
Cc1cc([C@@H](NC(=O)Cn2cnc(C#N)n2)C(=O)[O-])ccc1F	ZINC001607614959	1170484527	/nfs/dbraw/zinc/48/45/27/1170484527.db2.gz	PELOIQJEEWBLHM-CYBMUJFWSA-N	-1	0	317.280	0.539	20	30		DCEDRM
Cc1cc(C=NN2CC(=O)N(C)C2=O)cc(C)c1OCC(=O)[O-]	ZINC001607635085	1170486993	/nfs/dbraw/zinc/48/69/93/1170486993.db2.gz	OZJPQLMZSZFBRC-UHFFFAOYSA-N	-1	0	319.317	0.995	20	30		DCEDRM
Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCOCC(=O)[O-]	ZINC001607663369	1170491644	/nfs/dbraw/zinc/49/16/44/1170491644.db2.gz	UOSSMGSGNMEYPW-UHFFFAOYSA-N	-1	0	316.310	0.385	20	30		DCEDRM
Cc1ccc(C#N)c(N(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1	ZINC001607724439	1170500552	/nfs/dbraw/zinc/50/05/52/1170500552.db2.gz	YFQAOBMMAQHKGR-NEPJUHHUSA-N	-1	0	302.334	0.535	20	30		DCEDRM
Cc1nn(C)c(Cl)c1/C=C\C(=O)c1cn(CC(=O)[O-])nn1	ZINC001607998823	1170544343	/nfs/dbraw/zinc/54/43/43/1170544343.db2.gz	WULBLIAVNKLLSM-ARJAWSKDSA-N	-1	0	309.713	0.954	20	30		DCEDRM
Cn1cc(NC(=O)C(=O)Nc2cnn(CC#N)c2)cc1C(=O)[O-]	ZINC001608116146	1170578513	/nfs/dbraw/zinc/57/85/13/1170578513.db2.gz	LJRQVRHORZZCDB-UHFFFAOYSA-N	-1	0	316.277	0.021	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(CN2C[C@]3(CCCOC3)C2=O)CC1	ZINC001608174505	1170609594	/nfs/dbraw/zinc/60/95/94/1170609594.db2.gz	OTDCRPBUDQYJOR-HNNXBMFYSA-N	-1	0	307.350	0.273	20	30		DCEDRM
N#CCC(=O)N1CCN(CCOc2cccc(C(=O)[O-])c2)CC1	ZINC001608180193	1170610084	/nfs/dbraw/zinc/61/00/84/1170610084.db2.gz	VRQSFYVOTYJXTM-UHFFFAOYSA-N	-1	0	317.345	0.821	20	30		DCEDRM
N#CCCCCS(=O)(=O)NCc1ncc(C(=O)[O-])s1	ZINC001608181155	1170610443	/nfs/dbraw/zinc/61/04/43/1170610443.db2.gz	CGPOWVDTFQBGNT-UHFFFAOYSA-N	-1	0	303.365	0.955	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccc(CNC(N)=O)cc1	ZINC001608185246	1170611473	/nfs/dbraw/zinc/61/14/73/1170611473.db2.gz	JGISPHYWXQQRHL-UHFFFAOYSA-N	-1	0	304.306	0.295	20	30		DCEDRM
N#CCN1CCC(NC(=O)NC[C@H](CC(=O)[O-])C2CC2)CC1	ZINC001608187664	1170613008	/nfs/dbraw/zinc/61/30/08/1170613008.db2.gz	AGHSTMWCLQYZOC-LBPRGKRZSA-N	-1	0	308.382	0.774	20	30		DCEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@H](CC(N)=O)C2)cc1	ZINC001608199698	1170613927	/nfs/dbraw/zinc/61/39/27/1170613927.db2.gz	NUXPDNAJFFJLJM-OCCSQVGLSA-N	-1	0	303.318	0.260	20	30		DCEDRM
N#Cc1ccc(CNC(=O)NCCC(=O)NCCC(=O)[O-])s1	ZINC001608205253	1170614757	/nfs/dbraw/zinc/61/47/57/1170614757.db2.gz	YXCXVDXGMWOVSQ-UHFFFAOYSA-N	-1	0	324.362	0.400	20	30		DCEDRM
N#Cc1ccc([C@H](N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])C(N)=O)cc1	ZINC001608201963	1170615063	/nfs/dbraw/zinc/61/50/63/1170615063.db2.gz	JZANZAJHAMLEEX-IHRRRGAJSA-N	-1	0	317.345	0.697	20	30		DCEDRM
N#Cc1ccc(N2CCN(c3ncncc3C(=O)[O-])CC2)nc1	ZINC001608205941	1170615165	/nfs/dbraw/zinc/61/51/65/1170615165.db2.gz	OHJAIIJPJOBIAU-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC[C@H](O)C2CC2)c(C(=O)[O-])c1	ZINC001608211761	1170615730	/nfs/dbraw/zinc/61/57/30/1170615730.db2.gz	IIYQRVHINILACC-LBPRGKRZSA-N	-1	0	324.358	0.696	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C3(CC3)C2)c(C(=O)[O-])c1	ZINC001608209815	1170615840	/nfs/dbraw/zinc/61/58/40/1170615840.db2.gz	QXQJJRVACOCJCO-LBPRGKRZSA-N	-1	0	322.342	0.402	20	30		DCEDRM
N#Cc1ccc(F)cc1CN1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001608207347	1170616411	/nfs/dbraw/zinc/61/64/11/1170616411.db2.gz	ZTBXMJBXXDARRK-CYBMUJFWSA-N	-1	0	305.309	0.863	20	30		DCEDRM
N#Cc1ccccc1NC(=S)NCCC(=O)NCCC(=O)[O-]	ZINC001608218970	1170616861	/nfs/dbraw/zinc/61/68/61/1170616861.db2.gz	CXCRGYFQCXUORP-UHFFFAOYSA-N	-1	0	320.374	0.826	20	30		DCEDRM
N#Cc1cccc(CNC(=O)Cn2cnc(C(=O)[O-])cc2=O)c1	ZINC001608217907	1170617518	/nfs/dbraw/zinc/61/75/18/1170617518.db2.gz	YQDGVZUBDIIDRD-UHFFFAOYSA-N	-1	0	312.285	0.130	20	30		DCEDRM
N#Cc1ccccc1CN1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001608220211	1170618098	/nfs/dbraw/zinc/61/80/98/1170618098.db2.gz	PYLUBAWLZUDPSH-GJZGRUSLSA-N	-1	0	313.357	0.827	20	30		DCEDRM
N#Cc1ccsc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001608220732	1170618272	/nfs/dbraw/zinc/61/82/72/1170618272.db2.gz	KYWCOMRCRDIVLH-UHFFFAOYSA-N	-1	0	303.303	0.607	20	30		DCEDRM
N#Cc1ccccc1CN1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001608220212	1170618368	/nfs/dbraw/zinc/61/83/68/1170618368.db2.gz	PYLUBAWLZUDPSH-HUUCEWRRSA-N	-1	0	313.357	0.827	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001608221453	1170618646	/nfs/dbraw/zinc/61/86/46/1170618646.db2.gz	HMRARPGVKDYSLP-GHMZBOCLSA-N	-1	0	303.322	0.385	20	30		DCEDRM
O=C(/C=C/c1ccc(F)cc1)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	ZINC001608287241	1170642839	/nfs/dbraw/zinc/64/28/39/1170642839.db2.gz	IZEIEYWQASTOTL-JHVQLDOESA-N	-1	0	307.277	0.502	20	30		DCEDRM
C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1	ZINC001609019159	1170785316	/nfs/dbraw/zinc/78/53/16/1170785316.db2.gz	OKPICGYLYMPXBS-NSHDSACASA-N	-1	0	312.333	0.723	20	30		DCEDRM
C=CCCC(=O)COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001609053975	1170793073	/nfs/dbraw/zinc/79/30/73/1170793073.db2.gz	WIEIZZVTNNEFKT-MRVPVSSYSA-N	-1	0	305.298	0.098	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001609054273	1170793906	/nfs/dbraw/zinc/79/39/06/1170793906.db2.gz	DVXPLTHLCLWSRF-JTQLQIEISA-N	-1	0	304.302	0.617	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H](C)CC)C(=O)[O-]	ZINC001609075972	1170800167	/nfs/dbraw/zinc/80/01/67/1170800167.db2.gz	AAYURHKXMPPVEU-GARJFASQSA-N	-1	0	312.391	0.527	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(Br)n(C)n1)C(=O)[O-]	ZINC001609079056	1170802341	/nfs/dbraw/zinc/80/23/41/1170802341.db2.gz	VLXMMJLSCCCXMN-LURJTMIESA-N	-1	0	300.112	0.389	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-]	ZINC001609090065	1170807093	/nfs/dbraw/zinc/80/70/93/1170807093.db2.gz	YWICLCDNZNKIMB-SSDOTTSWSA-N	-1	0	318.332	0.720	20	30		DCEDRM
CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC2COCCOC2)o1	ZINC001609097590	1170807840	/nfs/dbraw/zinc/80/78/40/1170807840.db2.gz	HKTBAPNSWQTLBN-UHFFFAOYSA-N	-1	0	321.341	0.868	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cnc2onc(C)c2c1)C(=O)[O-]	ZINC001609105388	1170812531	/nfs/dbraw/zinc/81/25/31/1170812531.db2.gz	ZBXDMESNQPIJIP-JTQLQIEISA-N	-1	0	309.303	0.286	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N(C)CC(=O)N1CCC(C(=O)OCC)CC1	ZINC001609262272	1170903193	/nfs/dbraw/zinc/90/31/93/1170903193.db2.gz	NJUAKHWFIVDPNW-LBPRGKRZSA-N	-1	0	312.366	0.359	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC001609264597	1170903465	/nfs/dbraw/zinc/90/34/65/1170903465.db2.gz	VHZODYFINBBNFW-CYBMUJFWSA-N	-1	0	319.317	0.992	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cnc(Cl)n1C)C(=O)[O-]	ZINC001609452723	1170983860	/nfs/dbraw/zinc/98/38/60/1170983860.db2.gz	UURJBDPCSSXQFH-SSDOTTSWSA-N	-1	0	323.758	0.008	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccncc1C(=O)[O-]	ZINC001609684175	1171066654	/nfs/dbraw/zinc/06/66/54/1171066654.db2.gz	XXBFNKITRLRZDA-HNNXBMFYSA-N	-1	0	319.317	0.991	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NCCC(=O)[O-]	ZINC001609803392	1171090179	/nfs/dbraw/zinc/09/01/79/1171090179.db2.gz	ROPXVZAPFBJBPD-SNVBAGLBSA-N	-1	0	320.301	0.460	20	30		DCEDRM
CCc1oc(CN=Nc2ccc(C(N)=O)nn2)cc1C(=O)[O-]	ZINC001610079167	1171150750	/nfs/dbraw/zinc/15/07/50/1171150750.db2.gz	IBTQMMMLXCPWGF-UHFFFAOYSA-N	-1	0	303.278	0.875	20	30		DCEDRM
COC(=O)[C@H]1CCN(Cc2ccncc2C#N)[C@@H](C(=O)[O-])C1	ZINC001610168037	1171185229	/nfs/dbraw/zinc/18/52/29/1171185229.db2.gz	GWFLZDSFZDVXJM-GXFFZTMASA-N	-1	0	303.318	0.791	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC001610258690	1171211580	/nfs/dbraw/zinc/21/15/80/1171211580.db2.gz	URAOMGNCKUZCDB-UHFFFAOYSA-N	-1	0	304.349	0.607	20	30		DCEDRM
COc1ccc2onc(CC(=O)N(CC#N)CC(=O)[O-])c2c1	ZINC001610352416	1171222444	/nfs/dbraw/zinc/22/24/44/1171222444.db2.gz	CBXSKBQSTJGZIU-UHFFFAOYSA-N	-1	0	303.274	0.816	20	30		DCEDRM
CS(=O)(=O)N[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1	ZINC001610375690	1171227275	/nfs/dbraw/zinc/22/72/75/1171227275.db2.gz	SDFRJHFXQJYDJW-LLVKDONJSA-N	-1	0	323.374	0.380	20	30		DCEDRM
Cc1nc(NC(=O)[C@@H](C)n2cnc(C#N)n2)sc1C(=O)[O-]	ZINC001610557483	1171253242	/nfs/dbraw/zinc/25/32/42/1171253242.db2.gz	BCWNOPDFRSWNQS-ZCFIWIBFSA-N	-1	0	306.307	0.813	20	30		DCEDRM
Cc1nn(C)c(Br)c1C(=O)N(CC#N)CC(=O)[O-]	ZINC001610568521	1171256417	/nfs/dbraw/zinc/25/64/17/1171256417.db2.gz	HULYSAFPBUOIPI-UHFFFAOYSA-N	-1	0	315.127	0.541	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cn(-c2cccc(Cl)c2)nn1	ZINC001610622351	1171271131	/nfs/dbraw/zinc/27/11/31/1171271131.db2.gz	BOHOSSLOMSSBRL-UHFFFAOYSA-N	-1	0	319.708	0.971	20	30		DCEDRM
N#CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)[O-]	ZINC001610622582	1171271408	/nfs/dbraw/zinc/27/14/08/1171271408.db2.gz	AZYGOLUCPTWEKG-UHFFFAOYSA-N	-1	0	324.268	0.973	20	30		DCEDRM
N#Cc1c(CN2CCN3C(=O)NC[C@@H]3C2)cccc1C(=O)[O-]	ZINC001610622660	1171271662	/nfs/dbraw/zinc/27/16/62/1171271662.db2.gz	BALUXPPBJQAJRT-LLVKDONJSA-N	-1	0	300.318	0.466	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1	ZINC001610624391	1171271691	/nfs/dbraw/zinc/27/16/91/1171271691.db2.gz	NVXXXWPZFKVTTD-CHWSQXEVSA-N	-1	0	324.358	0.351	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)nc1	ZINC001610626597	1171272215	/nfs/dbraw/zinc/27/22/15/1171272215.db2.gz	NUMCLWYZBZPFHJ-SNVBAGLBSA-N	-1	0	312.289	0.330	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)Oc1cnccc1C(=O)[O-]	ZINC001610634290	1171274023	/nfs/dbraw/zinc/27/40/23/1171274023.db2.gz	VGZNAMLNJWWZNY-UHFFFAOYSA-N	-1	0	305.271	0.814	20	30		DCEDRM
C=C(C)C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)OCC	ZINC001622506099	1171425461	/nfs/dbraw/zinc/42/54/61/1171425461.db2.gz	BEYAHFIOQVVLTE-VIFPVBQESA-N	-1	0	312.413	0.446	20	30		DCEDRM
O=C(Nc1nc2c(s1)COCC2)N[C@@H]1CCCN(O)C1=O	ZINC001623131827	1171432681	/nfs/dbraw/zinc/43/26/81/1171432681.db2.gz	LEGOVDDEBIKHRD-MRVPVSSYSA-N	-1	0	312.351	0.718	20	30		DCEDRM
COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC1(C#N)CCSCC1	ZINC001623151346	1171433012	/nfs/dbraw/zinc/43/30/12/1171433012.db2.gz	DNKIXWWSHRCQKF-UHFFFAOYSA-N	-1	0	310.335	0.416	20	30		DCEDRM
N#CCOc1cccc(CNC(=O)c2c[n-]n3c2nccc3=O)c1	ZINC001628997303	1171539382	/nfs/dbraw/zinc/53/93/82/1171539382.db2.gz	YYIYZPNKZIXAMZ-UHFFFAOYSA-N	-1	0	323.312	0.855	20	30		DCEDRM
CC(C)OCCCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001632549558	1171619388	/nfs/dbraw/zinc/61/93/88/1171619388.db2.gz	LQZXJKRXDRCHNV-UHFFFAOYSA-N	-1	0	308.338	0.142	20	30		DCEDRM
CCOCCN1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001633021301	1171631185	/nfs/dbraw/zinc/63/11/85/1171631185.db2.gz	LRLSIQSFHVTBCQ-UHFFFAOYSA-N	-1	0	318.377	0.762	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C#Cc2cccs2)c(=O)[n-]c1=O	ZINC001633550423	1171646488	/nfs/dbraw/zinc/64/64/88/1171646488.db2.gz	QFUAZUVKZLIJTR-UHFFFAOYSA-N	-1	0	314.326	0.050	20	30		DCEDRM
COc1c(F)nccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001636945299	1171753477	/nfs/dbraw/zinc/75/34/77/1171753477.db2.gz	MSEIEFXSAMDRJU-UHFFFAOYSA-N	-1	0	319.252	0.002	20	30		DCEDRM
COC[C@H](NC(=O)C=CC(=O)c1ccc(C)cc1)c1nnn[n-]1	ZINC001638139543	1171786720	/nfs/dbraw/zinc/78/67/20/1171786720.db2.gz	GWZTVNGZICCFOF-KRZKBDHCSA-N	-1	0	315.333	0.751	20	30		DCEDRM
COC[C@@H](NC(=O)C=CC(=O)c1ccc(C)cc1)c1nnn[n-]1	ZINC001638139541	1171787398	/nfs/dbraw/zinc/78/73/98/1171787398.db2.gz	GWZTVNGZICCFOF-ABZNLYFFSA-N	-1	0	315.333	0.751	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCCc2ccco2)c(=O)[n-]c1=O	ZINC001646603760	1172438268	/nfs/dbraw/zinc/43/82/68/1172438268.db2.gz	BSSIEXBDMYTYBR-UHFFFAOYSA-N	-1	0	302.290	0.163	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC=C(c3ccncc3)C2)c(C#N)c1=O	ZINC001646634464	1172450222	/nfs/dbraw/zinc/45/02/22/1172450222.db2.gz	JCCAFYHRPRJSEQ-UHFFFAOYSA-N	-1	0	309.329	0.634	20	30		DCEDRM
CN(Cc1cc(C#N)cs1)c1nnc(-c2cc(=O)[nH][n-]2)n1C	ZINC001646674941	1172466089	/nfs/dbraw/zinc/46/60/89/1172466089.db2.gz	BPCPLVDFHGVXCS-UHFFFAOYSA-N	-1	0	315.362	0.609	20	30		DCEDRM
CC(C)(C)[C@H]1CCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001647619535	1173002979	/nfs/dbraw/zinc/00/29/79/1173002979.db2.gz	ACIHCXUXHNLMET-LLVKDONJSA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1	ZINC001649711017	1173177767	/nfs/dbraw/zinc/17/77/67/1173177767.db2.gz	NXQQNQUFRTVGCK-UHFFFAOYSA-N	-1	0	319.346	0.235	20	30		DCEDRM
O=C(C=Cc1ccc(F)cc1)C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001650857687	1173734333	/nfs/dbraw/zinc/73/43/33/1173734333.db2.gz	GNZQXZKLKQBBDI-UUSYTGMJSA-N	-1	0	315.308	0.937	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2cccc(Br)n2)c1=O	ZINC001656660052	1173876296	/nfs/dbraw/zinc/87/62/96/1173876296.db2.gz	BXOLUQWXHPGHKR-UHFFFAOYSA-N	-1	0	307.107	0.614	20	30		DCEDRM
C=CCNC(=O)C[N-]S(=O)(=O)c1occc1Br	ZINC001663062232	1174261503	/nfs/dbraw/zinc/26/15/03/1174261503.db2.gz	FNTCTGCRYYHYGW-UHFFFAOYSA-N	-1	0	323.168	0.623	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC001685556682	1176036149	/nfs/dbraw/zinc/03/61/49/1176036149.db2.gz	RRYAPVAJPVEPRC-CYBMUJFWSA-N	-1	0	318.333	0.319	20	30		DCEDRM
C=CCCOCC(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001688897715	1176649391	/nfs/dbraw/zinc/64/93/91/1176649391.db2.gz	BPWZDJYGTJPMJO-LLVKDONJSA-N	-1	0	309.370	0.136	20	30		DCEDRM
C=CCCOCC(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001688897716	1176649714	/nfs/dbraw/zinc/64/97/14/1176649714.db2.gz	BPWZDJYGTJPMJO-NSHDSACASA-N	-1	0	309.370	0.136	20	30		DCEDRM
C[C@@H]1C[C@@H](NC(=O)CSCC#N)CCN1Cc1n[nH]c(=O)[n-]1	ZINC001700310730	1178577343	/nfs/dbraw/zinc/57/73/43/1178577343.db2.gz	JMDYTGXDGMLMGN-ZJUUUORDSA-N	-1	0	324.410	0.236	20	30		DCEDRM
C#CCCCCC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001700586334	1178668484	/nfs/dbraw/zinc/66/84/84/1178668484.db2.gz	MTESHLQFJUUNBC-XYYAHUGASA-N	-1	0	317.393	0.498	20	30		DCEDRM
C=CCOCCCC(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001713995970	1181191072	/nfs/dbraw/zinc/19/10/72/1181191072.db2.gz	JOWDIIZFIKLIHF-LBPRGKRZSA-N	-1	0	323.397	0.526	20	30		DCEDRM
CN(CC(C)(C)CNCC#N)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001717454590	1182837765	/nfs/dbraw/zinc/83/77/65/1182837765.db2.gz	HWXFILHTALQRAA-UHFFFAOYSA-N	-1	0	324.385	0.067	20	30		DCEDRM
C=C1CC(C)(C(=O)NCCN(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001721125019	1183839270	/nfs/dbraw/zinc/83/92/70/1183839270.db2.gz	OCSJGWAPSVAZQN-UHFFFAOYSA-N	-1	0	306.366	0.968	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C	ZINC001725624575	1184917859	/nfs/dbraw/zinc/91/78/59/1184917859.db2.gz	JHLGMGHOLNNVES-RYUDHWBXSA-N	-1	0	305.382	0.639	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)C#CC(C)C)c1[O-]	ZINC001725914149	1185045477	/nfs/dbraw/zinc/04/54/77/1185045477.db2.gz	KWDCKPWPXXLNMD-ZJUUUORDSA-N	-1	0	306.366	0.706	20	30		DCEDRM
CN(CC#N)CCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001731285646	1185244017	/nfs/dbraw/zinc/24/40/17/1185244017.db2.gz	YSNGOUUPJBBARE-UHFFFAOYSA-N	-1	0	308.304	0.405	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)CCCNCC#N)cc1=O	ZINC001733109986	1186144523	/nfs/dbraw/zinc/14/45/23/1186144523.db2.gz	FWZGHYWUSRUIDI-UHFFFAOYSA-N	-1	0	307.398	0.337	20	30		DCEDRM
C=CCOCC(=O)N[C@H](CNC(=O)c1[nH]nc(C)c1[O-])C(C)C	ZINC001738317391	1187510306	/nfs/dbraw/zinc/51/03/06/1187510306.db2.gz	RMYMCBHAGWGJRK-LLVKDONJSA-N	-1	0	324.381	0.497	20	30		DCEDRM
C=C(C)CCC(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001738959774	1187711846	/nfs/dbraw/zinc/71/18/46/1187711846.db2.gz	FQXCMTVIFOZXRA-UHFFFAOYSA-N	-1	0	321.337	0.018	20	30		DCEDRM
C[C@H](CNCC#N)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001753644926	1188629443	/nfs/dbraw/zinc/62/94/43/1188629443.db2.gz	PFLKQWVNNDVWCX-MRVPVSSYSA-N	-1	0	308.304	0.309	20	30		DCEDRM
C=C(C)CCC(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001759712235	1190277979	/nfs/dbraw/zinc/27/79/79/1190277979.db2.gz	GLSLHZNLZXZHRP-ARJAWSKDSA-N	-1	0	321.337	0.041	20	30		DCEDRM
CC(C)[C@@H]1C[C@H](CNc2[n-]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001772116867	1190611429	/nfs/dbraw/zinc/61/14/29/1190611429.db2.gz	HHNGZRXPJVUPAI-PWSUYJOCSA-N	-1	0	306.366	0.808	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNc2ccncc2C#N)c1[O-]	ZINC001107126050	751876569	/nfs/dbraw/zinc/87/65/69/751876569.db2.gz	GBJPRKGLJQQERF-IHWYPQMZSA-N	-1	0	312.333	0.510	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNc2ccncc2C#N)c1[O-]	ZINC001107126051	751876775	/nfs/dbraw/zinc/87/67/75/751876775.db2.gz	GBJPRKGLJQQERF-NSCUHMNNSA-N	-1	0	312.333	0.510	20	30		DCEDRM
CC[C@@H]1[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CCN1CC#N	ZINC001087753183	749039552	/nfs/dbraw/zinc/03/95/52/749039552.db2.gz	VTRWXCKHISSQEG-NWDGAFQWSA-N	-1	0	314.349	0.129	20	30		DCEDRM
COc1cc(C#N)cnc1NC(=N)SCCS(=O)(=O)[O-]	ZINC001168088059	749366509	/nfs/dbraw/zinc/36/65/09/749366509.db2.gz	COMQCHBPRKWILH-UHFFFAOYSA-N	-1	0	316.364	0.930	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)c1[O-]	ZINC001059603926	749373478	/nfs/dbraw/zinc/37/34/78/749373478.db2.gz	KQVNCLSUXWRTKG-DTORHVGOSA-N	-1	0	313.321	0.458	20	30		DCEDRM
C=CCCC(=O)N[C@@H](C)CCNC(=O)c1cnc([O-])n(C)c1=O	ZINC001077709751	752374729	/nfs/dbraw/zinc/37/47/29/752374729.db2.gz	WXPYBISTFYSJRS-JTQLQIEISA-N	-1	0	322.365	0.077	20	30		DCEDRM
C[C@]1(NC(=O)c2ccc3oc(=O)nc-3[n-]2)CCN(CC#N)C1	ZINC001046772173	753938383	/nfs/dbraw/zinc/93/83/83/753938383.db2.gz	RJQIRDSHKSCTFC-AWEZNQCLSA-N	-1	0	301.306	0.646	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001085827272	759352795	/nfs/dbraw/zinc/35/27/95/759352795.db2.gz	MTDLOUZKVMCXIK-TUAOUCFPSA-N	-1	0	321.381	0.134	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CNc2ccc(C#N)nc2)c1[O-]	ZINC001108311627	760371672	/nfs/dbraw/zinc/37/16/72/760371672.db2.gz	JSSZUVXMPZASLC-QMMMGPOBSA-N	-1	0	300.322	0.921	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CN(C)c2ccc(C#N)nc2)c1[O-]	ZINC001108901785	761129563	/nfs/dbraw/zinc/12/95/63/761129563.db2.gz	RTYSWWZGDZCSQV-SECBINFHSA-N	-1	0	314.349	0.945	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2c(C)[nH]c(=O)[nH]c2=S)C1=O	ZINC001123871585	768068737	/nfs/dbraw/zinc/06/87/37/768068737.db2.gz	MJFQGXHZWIEQSQ-VIFPVBQESA-N	-1	0	322.390	0.638	20	30		DCEDRM
COc1cc(C#N)ccc1OCCCC(=O)N(C)c1nnn[n-]1	ZINC001130969676	763587965	/nfs/dbraw/zinc/58/79/65/763587965.db2.gz	SGIASKCGWSPRJI-UHFFFAOYSA-N	-1	0	316.321	0.902	20	30		DCEDRM
CCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1ncccc1C#N	ZINC001100501776	763616825	/nfs/dbraw/zinc/61/68/25/763616825.db2.gz	CEVKVHBSBBHIKI-UHFFFAOYSA-N	-1	0	314.349	0.947	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(C)s1	ZINC001116467589	765873884	/nfs/dbraw/zinc/87/38/84/765873884.db2.gz	JACDREFTOABZDY-UHFFFAOYSA-N	-1	0	302.377	0.418	20	30		DCEDRM
COCCn1ncc(C([O-])=C(C#N)C(=O)N2CCCC2)c1C	ZINC001122427865	767800637	/nfs/dbraw/zinc/80/06/37/767800637.db2.gz	ORLYLLBGAZILKU-GFCCVEGCSA-N	-1	0	304.350	0.783	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cc3ccccn3n2)c(=O)[n-]c1=O	ZINC001140504862	768533440	/nfs/dbraw/zinc/53/34/40/768533440.db2.gz	FJQDJHYIJINDBQ-UHFFFAOYSA-N	-1	0	310.273	0.107	20	30		DCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1nn(-c2cccc(F)c2)cc1[O-]	ZINC001141380522	768578051	/nfs/dbraw/zinc/57/80/51/768578051.db2.gz	SIJUONUCWYHQFU-SNVBAGLBSA-N	-1	0	320.280	0.437	20	30		DCEDRM
CC(C)(C)OCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001142516612	768648112	/nfs/dbraw/zinc/64/81/12/768648112.db2.gz	KIQJYKMSNJUJRM-UHFFFAOYSA-N	-1	0	308.338	0.142	20	30		DCEDRM
CCS(=O)(=O)N1CCN(Cc2cc(C#N)ccc2[O-])CC1	ZINC001232677131	769329970	/nfs/dbraw/zinc/32/99/70/769329970.db2.gz	BCXBXRTZXAVPLR-UHFFFAOYSA-N	-1	0	309.391	0.731	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cccc3nccnc32)c(=O)[n-]c1=O	ZINC001152363819	769535997	/nfs/dbraw/zinc/53/59/97/769535997.db2.gz	DSSNNYDJGOIPTJ-UHFFFAOYSA-N	-1	0	322.284	0.402	20	30		DCEDRM
N#Cc1c(N)nc(=NC2CC2)n(-c2c(F)ccc([O-])c2F)c1N	ZINC001175262319	769883972	/nfs/dbraw/zinc/88/39/72/769883972.db2.gz	CMRDSNHNEFWJRQ-UHFFFAOYSA-N	-1	0	318.287	0.955	20	30		DCEDRM
C=CCN1C(=O)CC[C@]12CCCN(C(=O)Cc1nnn[n-]1)CC2	ZINC001176839982	770187346	/nfs/dbraw/zinc/18/73/46/770187346.db2.gz	FOBVDIMEHACPAZ-HNNXBMFYSA-N	-1	0	318.381	0.302	20	30		DCEDRM
C=CCCC(=O)N1CC[C@@H]2OCCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1	ZINC001176955427	770255328	/nfs/dbraw/zinc/25/53/28/770255328.db2.gz	SXGRIJCAOPWUOR-NEPJUHHUSA-N	-1	0	321.381	0.278	20	30		DCEDRM
N#C[C@@H]1CNCCN1C(=O)CSc1n[n-]c(=S)s1	ZINC001177339428	770414269	/nfs/dbraw/zinc/41/42/69/770414269.db2.gz	FMKKVCZHJWFSAL-ZCFIWIBFSA-N	-1	0	301.422	0.243	20	30		DCEDRM
N#CCCN(Cc1cccnc1)C(=O)Cn1nn[n-]c1=S	ZINC001177736189	770538533	/nfs/dbraw/zinc/53/85/33/770538533.db2.gz	CYCRSMCGAYSNLM-UHFFFAOYSA-N	-1	0	303.351	0.299	20	30		DCEDRM
C=C(C)CNC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O	ZINC001178371927	770723227	/nfs/dbraw/zinc/72/32/27/770723227.db2.gz	XIVYUBVQTQPATH-UHFFFAOYSA-N	-1	0	306.322	0.120	20	30		DCEDRM
C=C(F)C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001180122074	771065337	/nfs/dbraw/zinc/06/53/37/771065337.db2.gz	GNHFGDCEDKEIEB-SSDOTTSWSA-N	-1	0	302.264	0.012	20	30		DCEDRM
C=CCOCC(=O)N1CCCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001157706006	771656844	/nfs/dbraw/zinc/65/68/44/771656844.db2.gz	QXHWQRWHKGCPSJ-GFCCVEGCSA-N	-1	0	323.397	0.526	20	30		DCEDRM
C[C@@]1(O)C=C[C@H](O)C(C(=O)Nc2cc(C#N)c(F)cc2[O-])=C1	ZINC001183542569	771659897	/nfs/dbraw/zinc/65/98/97/771659897.db2.gz	RSBNQIRJDSFGLE-SWLSCSKDSA-N	-1	0	304.277	0.950	20	30		DCEDRM
C=C(CC(=O)OCCCC)C(=O)N[C@@H]1SC(=O)[N-]C1=O	ZINC001184311961	771771316	/nfs/dbraw/zinc/77/13/16/771771316.db2.gz	JFUZQRMXPLWNMT-LLVKDONJSA-N	-1	0	300.336	0.701	20	30		DCEDRM
C=C[C@@H](CO)[N-]S(=O)(=O)c1nc(C)c(C(=O)OCC)s1	ZINC001184975550	771847860	/nfs/dbraw/zinc/84/78/60/771847860.db2.gz	WUDNPFILYOUNSO-QMMMGPOBSA-N	-1	0	320.392	0.453	20	30		DCEDRM
Cc1ccc2[nH]c(NC(=O)Cn3cc(C#N)c(=O)[n-]c3=O)nc2c1	ZINC001159705240	771947036	/nfs/dbraw/zinc/94/70/36/771947036.db2.gz	SVVAVKYWMGHXBJ-UHFFFAOYSA-N	-1	0	324.300	0.644	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCc1cnn(C)n1	ZINC001159815530	771962993	/nfs/dbraw/zinc/96/29/93/771962993.db2.gz	GWHQHIDYDRDBTI-UHFFFAOYSA-N	-1	0	300.322	0.458	20	30		DCEDRM
COC(=O)c1ccc(C(=N)Nc2nccnc2CC(=O)[O-])cc1	ZINC001159857595	771969206	/nfs/dbraw/zinc/96/92/06/771969206.db2.gz	XCAQHDKRXBLPQE-UHFFFAOYSA-N	-1	0	314.301	0.927	20	30		DCEDRM
C=CCCC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21	ZINC001187191496	772144824	/nfs/dbraw/zinc/14/48/24/772144824.db2.gz	KAZLYXLNWQVLRV-NWDGAFQWSA-N	-1	0	305.382	0.107	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001189242031	772441580	/nfs/dbraw/zinc/44/15/80/772441580.db2.gz	CWGYWVSCVREORP-NWDGAFQWSA-N	-1	0	323.397	0.524	20	30		DCEDRM
Nc1cccnc1N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001163066633	772452644	/nfs/dbraw/zinc/45/26/44/772452644.db2.gz	VKIUIXOIDBPKDT-SECBINFHSA-N	-1	0	322.327	0.184	20	30		DCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(F)c(F)c1	ZINC001189336396	772456084	/nfs/dbraw/zinc/45/60/84/772456084.db2.gz	GNJKOEXWVNOAAD-NSHDSACASA-N	-1	0	318.301	0.839	20	30		DCEDRM
CSc1nc(C)c(C#N)c(NCC[N-]C(=O)C(F)(F)F)n1	ZINC001164237481	772629155	/nfs/dbraw/zinc/62/91/55/772629155.db2.gz	BRGIRWKLFRXQSB-UHFFFAOYSA-N	-1	0	319.312	0.891	20	30		DCEDRM
N#CC1CC(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1	ZINC001192753153	772959860	/nfs/dbraw/zinc/95/98/60/772959860.db2.gz	FOUNXZIOWHMHQX-UHFFFAOYSA-N	-1	0	310.331	0.730	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(OCC)OCC	ZINC001204915686	772969030	/nfs/dbraw/zinc/96/90/30/772969030.db2.gz	KFQPDUXSQIYEPK-NSHDSACASA-N	-1	0	312.384	0.861	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1ccccc1NC(=O)c1cnccn1	ZINC001192982506	772983992	/nfs/dbraw/zinc/98/39/92/772983992.db2.gz	RKRMYPVATCJTCT-UHFFFAOYSA-N	-1	0	317.330	0.994	20	30		DCEDRM
COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193150371	773018087	/nfs/dbraw/zinc/01/80/87/773018087.db2.gz	XDVIAIBAYZMVAS-ZCFIWIBFSA-N	-1	0	302.283	0.972	20	30		DCEDRM
C=C[C@@H]1C[C@]1(NC(=O)OC(C)C)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001193513209	773077246	/nfs/dbraw/zinc/07/72/46/773077246.db2.gz	SMTOAAJIVLVJIP-NOZJJQNGSA-N	-1	0	316.379	0.674	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001206485930	773081424	/nfs/dbraw/zinc/08/14/24/773081424.db2.gz	PDYDARLAAIEIGX-IJLUTSLNSA-N	-1	0	323.397	0.428	20	30		DCEDRM
COc1ncccc1S(=O)(=O)[N-]c1ncc(C#N)nc1C	ZINC001194679295	773230887	/nfs/dbraw/zinc/23/08/87/773230887.db2.gz	NCGZVYKJVMLRQP-UHFFFAOYSA-N	-1	0	305.319	0.861	20	30		DCEDRM
CN=c1c(N)cc(Cl)nn1C(=O)c1ccc(C#N)cc1[O-]	ZINC001195740660	773474163	/nfs/dbraw/zinc/47/41/63/773474163.db2.gz	JCTJGFRIXMYHLZ-UHFFFAOYSA-N	-1	0	303.709	0.915	20	30		DCEDRM
COC(=O)[C@@]1(C)COCCN1C(=O)c1ccc(C#N)cc1[O-]	ZINC001195751673	773477146	/nfs/dbraw/zinc/47/71/46/773477146.db2.gz	WPUSGNPRUJPSNK-OAHLLOKOSA-N	-1	0	304.302	0.668	20	30		DCEDRM
C=CCCn1cc(C[N-]S(=O)(=O)c2c(C)onc2N)nn1	ZINC001213354355	773837313	/nfs/dbraw/zinc/83/73/13/773837313.db2.gz	SAFAMALPPKYMTM-UHFFFAOYSA-N	-1	0	312.355	0.211	20	30		DCEDRM
C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001219068401	774356567	/nfs/dbraw/zinc/35/65/67/774356567.db2.gz	RYHHGZWFSJPPPY-INVIOFOPSA-N	-1	0	321.308	0.473	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCN(C)c2cnc(C#N)cn2)c1[O-]	ZINC001095513653	775195876	/nfs/dbraw/zinc/19/58/76/775195876.db2.gz	HLEGMDZJJABSRE-UHFFFAOYSA-N	-1	0	315.337	0.342	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCN(C)c2cncc(C#N)n2)c1[O-]	ZINC001095513908	775196081	/nfs/dbraw/zinc/19/60/81/775196081.db2.gz	SBVHUTURAYRZLZ-UHFFFAOYSA-N	-1	0	315.337	0.342	20	30		DCEDRM
N#CCSCC(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001222420012	775346249	/nfs/dbraw/zinc/34/62/49/775346249.db2.gz	KCYIBSKAGCVOGG-UHFFFAOYSA-N	-1	0	324.410	0.095	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](OCC[P@@](=O)([O-])O)C1	ZINC001224600850	775586638	/nfs/dbraw/zinc/58/66/38/775586638.db2.gz	AEPBJEXWUAQBBI-UWVGGRQHSA-N	-1	0	320.282	0.940	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@@H]1CCN(C(C)=O)C1	ZINC001225016328	775631245	/nfs/dbraw/zinc/63/12/45/775631245.db2.gz	YBIZDTVUDWXMFS-OLZOCXBDSA-N	-1	0	321.395	0.330	20	30		DCEDRM
CC(=O)OCC(COC(C)=O)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009474	775753917	/nfs/dbraw/zinc/75/39/17/775753917.db2.gz	YAUDYRNWNSXJSV-UHFFFAOYSA-N	-1	0	312.253	0.672	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(=O)[nH]c(CC)n1	ZINC001226475836	775823900	/nfs/dbraw/zinc/82/39/00/775823900.db2.gz	MWHJMVPXBJARFG-SECBINFHSA-N	-1	0	318.351	0.582	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1n[nH]c(=O)cc1C	ZINC001227797199	776007083	/nfs/dbraw/zinc/00/70/83/776007083.db2.gz	GFTHMVLMVNMJMU-VIFPVBQESA-N	-1	0	304.324	0.328	20	30		DCEDRM
O=C(C#CC1CC1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1	ZINC001042057570	777666743	/nfs/dbraw/zinc/66/67/43/777666743.db2.gz	LFIUQFFRNAJZHJ-OLZOCXBDSA-N	-1	0	315.377	0.347	20	30		DCEDRM
N#CCCCCS(=O)(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC001601065556	1168579610	/nfs/dbraw/zinc/57/96/10/1168579610.db2.gz	JRNRJDAZSFCAOG-UHFFFAOYSA-N	-1	0	318.395	0.871	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])n1cc(CNC(=O)OCC(F)(F)F)nn1	ZINC001602806040	1169185845	/nfs/dbraw/zinc/18/58/45/1169185845.db2.gz	OYLHWUKZJJNJSG-ZETCQYMHSA-N	-1	0	308.216	0.878	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001602880060	1169197701	/nfs/dbraw/zinc/19/77/01/1169197701.db2.gz	BFPULADSMMMQBX-MNOVXSKESA-N	-1	0	319.379	0.621	20	30		DCEDRM
C=CCCOCCCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC001602881200	1169197747	/nfs/dbraw/zinc/19/77/47/1169197747.db2.gz	VWCHUVJGQCMDRB-LBPRGKRZSA-N	-1	0	312.366	0.551	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC/C=C/CNCc1nc(=O)n(C)[nH]1	ZINC001268588469	940271262	/nfs/dbraw/zinc/27/12/62/940271262.db2.gz	SBJWFRJRHWFBEC-MVGZEHJDSA-N	-1	0	307.398	0.473	20	30		DCEDRM
C=CCN1CC[C@]2(CCN(C(=O)c3cc([O-])[nH]c(=O)c3)C2)C1=O	ZINC001269381494	940695839	/nfs/dbraw/zinc/69/58/39/940695839.db2.gz	NNAKYXSLIMSVSK-MRXNPFEDSA-N	-1	0	317.345	0.743	20	30		DCEDRM
C=CCN1CC[C@]2(CCCN2C(=O)c2cc([O-])[nH]c(=O)c2)C1=O	ZINC001269381772	940695973	/nfs/dbraw/zinc/69/59/73/940695973.db2.gz	UFHRFUUPNKBKQR-MRXNPFEDSA-N	-1	0	317.345	0.886	20	30		DCEDRM
CCOC(C)(C)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412847169	942104678	/nfs/dbraw/zinc/10/46/78/942104678.db2.gz	RKUHDAINRCTXPK-UHFFFAOYSA-N	-1	0	308.338	0.142	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H](CO)c2ccccc2)c(C#N)c1=O	ZINC001412869209	942117669	/nfs/dbraw/zinc/11/76/69/942117669.db2.gz	GLNAOPCJPMFOSQ-LLVKDONJSA-N	-1	0	300.318	0.133	20	30		DCEDRM
CC(C)CC[C@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413279707	942604244	/nfs/dbraw/zinc/60/42/44/942604244.db2.gz	UKXCEFXTKKQIIH-GFCCVEGCSA-N	-1	0	322.365	0.124	20	30		DCEDRM
CC(C)(C#N)c1ccc([N-]S(=O)(=O)CS(C)(=O)=O)cn1	ZINC001260583334	943014611	/nfs/dbraw/zinc/01/46/11/943014611.db2.gz	ABQUFXKKQOJDGA-UHFFFAOYSA-N	-1	0	317.392	0.627	20	30		DCEDRM
CCc1coc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001413518932	943041964	/nfs/dbraw/zinc/04/19/64/943041964.db2.gz	HPANEUYEUYNARZ-UHFFFAOYSA-N	-1	0	303.278	0.400	20	30		DCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001118913763	944130817	/nfs/dbraw/zinc/13/08/17/944130817.db2.gz	OJSACMKMWXBYOV-UHFFFAOYSA-N	-1	0	316.339	0.736	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1cc(S(C)(=O)=O)oc1C)C(=O)[O-]	ZINC001329655033	944266400	/nfs/dbraw/zinc/26/64/00/944266400.db2.gz	ASNYGIMWWLXSHA-SECBINFHSA-N	-1	0	301.320	0.751	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NC(=O)C#CC2CC2)c1[O-]	ZINC001486681411	945061986	/nfs/dbraw/zinc/06/19/86/945061986.db2.gz	IZICNNWDLROCHL-IUCAKERBSA-N	-1	0	304.350	0.460	20	30		DCEDRM
C=C[C@H]1C[C@]1([N-]S(=O)(=O)CC(F)(F)F)C(=O)OCC	ZINC001253228786	946099152	/nfs/dbraw/zinc/09/91/52/946099152.db2.gz	LMEOBDKKVZFPER-IONNQARKSA-N	-1	0	301.286	0.976	20	30		DCEDRM
C=C(C)CN1CC2(CN(Cc3ncccc3O)C2)OCC1=O	ZINC001273325686	946645564	/nfs/dbraw/zinc/64/55/64/946645564.db2.gz	POQAHPFKJGCGAB-UHFFFAOYSA-N	-1	0	303.362	0.777	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(C)c(OC)cc1C	ZINC001602678563	971255930	/nfs/dbraw/zinc/25/59/30/971255930.db2.gz	BLYNXILZJNFHCR-UHFFFAOYSA-N	-1	0	318.329	0.797	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)n1nnc(-c2ccccc2)n1	ZINC001602678776	971256824	/nfs/dbraw/zinc/25/68/24/971256824.db2.gz	FZRWPICINIAEKJ-NSHDSACASA-N	-1	0	313.317	0.448	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2nc(C)oc2c1	ZINC001602679349	971259361	/nfs/dbraw/zinc/25/93/61/971259361.db2.gz	OHTVRHMSAXECTE-UHFFFAOYSA-N	-1	0	315.285	0.621	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1	ZINC001602683804	971276183	/nfs/dbraw/zinc/27/61/83/971276183.db2.gz	KDZXBVZBXSBLDQ-KGLIPLIRSA-N	-1	0	323.393	0.359	20	30		DCEDRM
CNC(=O)c1nccnc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC001259118951	946915408	/nfs/dbraw/zinc/91/54/08/946915408.db2.gz	YNJWXNAUJQMZGX-UHFFFAOYSA-N	-1	0	317.330	0.509	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H](CNCC#N)C1CC1	ZINC001323111714	946937641	/nfs/dbraw/zinc/93/76/41/946937641.db2.gz	DIMIWNZPVRNLFV-VIFPVBQESA-N	-1	0	320.315	0.451	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccccn1	ZINC001259291510	946940726	/nfs/dbraw/zinc/94/07/26/946940726.db2.gz	DJKGPKOWXPGMJJ-UHFFFAOYSA-N	-1	0	307.291	0.565	20	30		DCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cn1	ZINC001259339905	946946210	/nfs/dbraw/zinc/94/62/10/946946210.db2.gz	PQUGLPORJGDUBY-UHFFFAOYSA-N	-1	0	318.314	0.920	20	30		DCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cn1	ZINC001259377055	946951392	/nfs/dbraw/zinc/95/13/92/946951392.db2.gz	NZNICBLRAGSSBT-UHFFFAOYSA-N	-1	0	317.286	0.996	20	30		DCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)c2cnn(C)c2)c(C#N)c1	ZINC001259827538	946991809	/nfs/dbraw/zinc/99/18/09/946991809.db2.gz	DGEMTWGZQLRLIY-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001573294904	947001118	/nfs/dbraw/zinc/00/11/18/947001118.db2.gz	MDFXRQUDIZXIIC-XVKPBYJWSA-N	-1	0	314.309	0.381	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1	ZINC001602695597	971309806	/nfs/dbraw/zinc/30/98/06/971309806.db2.gz	LWGKWJMQNYKVAA-NSHDSACASA-N	-1	0	317.345	0.992	20	30		DCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2cn(C)c(C)n2)c(C#C)n1	ZINC001260542910	947109987	/nfs/dbraw/zinc/10/99/87/947109987.db2.gz	VFRVPNJKSAXRQC-UHFFFAOYSA-N	-1	0	301.331	0.282	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)[C@H]1CCCO1	ZINC001323586417	947134778	/nfs/dbraw/zinc/13/47/78/947134778.db2.gz	BHABIVIRKSBCBO-DTWKUNHWSA-N	-1	0	308.256	0.284	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CCCc2nccs2)n1C	ZINC001602701127	971326428	/nfs/dbraw/zinc/32/64/28/971326428.db2.gz	XRZROIKTVONQAJ-UHFFFAOYSA-N	-1	0	319.390	0.971	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C[C@H]1CCOC1	ZINC001602717267	971365402	/nfs/dbraw/zinc/36/54/02/971365402.db2.gz	GLZAVUPZQYWTQX-WOPDTQHZSA-N	-1	0	322.365	0.445	20	30		DCEDRM
C=C[C@H](C)NC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001602717522	971368580	/nfs/dbraw/zinc/36/85/80/971368580.db2.gz	PVICBBNNZUWWKT-QWRGUYRKSA-N	-1	0	309.366	0.668	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)NC2(C#N)CCOCC2)cn1	ZINC001261803780	947443226	/nfs/dbraw/zinc/44/32/26/947443226.db2.gz	PDNIVXABTHMYBF-UHFFFAOYSA-N	-1	0	324.362	0.256	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)N(C)CC(=O)OCC	ZINC001262108756	947563913	/nfs/dbraw/zinc/56/39/13/947563913.db2.gz	XVQALEHEMNKRQL-UHFFFAOYSA-N	-1	0	304.368	0.036	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC001602729689	971400405	/nfs/dbraw/zinc/40/04/05/971400405.db2.gz	BEIAAJNNEQPXAT-IJLUTSLNSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-]	ZINC001325144777	947680773	/nfs/dbraw/zinc/68/07/73/947680773.db2.gz	UXGLOWHPYMOIBL-ONGXEEELSA-N	-1	0	319.379	0.114	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc2cccn2cn1	ZINC001263302711	947828513	/nfs/dbraw/zinc/82/85/13/947828513.db2.gz	AMRONQVDYJLJRR-LBPRGKRZSA-N	-1	0	300.318	0.809	20	30		DCEDRM
C=CCN(CC(=O)[O-])Cc1ccc(S(=O)(=O)N(C)C)o1	ZINC001326561436	948201742	/nfs/dbraw/zinc/20/17/42/948201742.db2.gz	JVFNOQMTDOTRME-UHFFFAOYSA-N	-1	0	302.352	0.603	20	30		DCEDRM
C=CC[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)[O-]	ZINC001327014386	948364104	/nfs/dbraw/zinc/36/41/04/948364104.db2.gz	SXKIDXLDSJDGCT-QMMMGPOBSA-N	-1	0	318.376	0.084	20	30		DCEDRM
CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)CC#N)c1	ZINC001327191611	948417519	/nfs/dbraw/zinc/41/75/19/948417519.db2.gz	ALPGICRNICYBKV-UHFFFAOYSA-N	-1	0	324.362	0.612	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(N(C)C(C)=O)nc1	ZINC001327322977	948465602	/nfs/dbraw/zinc/46/56/02/948465602.db2.gz	DRBRMOIRHYWBLK-UHFFFAOYSA-N	-1	0	306.322	0.627	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1nnn(CC(F)(F)F)n1	ZINC001602781934	971526635	/nfs/dbraw/zinc/52/66/35/971526635.db2.gz	KYFYDXSTLCXQJO-SECBINFHSA-N	-1	0	321.215	0.283	20	30		DCEDRM
CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1	ZINC001589583681	949019082	/nfs/dbraw/zinc/01/90/82/949019082.db2.gz	CFEIFVNQPUKDRS-OZVIIMIRSA-N	-1	0	321.377	0.898	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC(C#N)CC2)CC[C@H]1C(=O)[O-]	ZINC001329163343	949401678	/nfs/dbraw/zinc/40/16/78/949401678.db2.gz	RNZYITBXJNSALH-ZYHUDNBSSA-N	-1	0	307.350	0.318	20	30		DCEDRM
COC[C@@H]1COCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364501231	949436408	/nfs/dbraw/zinc/43/64/08/949436408.db2.gz	ZJTDYQNRXKQPPX-GFCCVEGCSA-N	-1	0	303.322	0.154	20	30		DCEDRM
N#CCOc1cccc(CNC(=O)C(=O)NCCCC(=O)[O-])c1	ZINC001329470206	949618336	/nfs/dbraw/zinc/61/83/36/949618336.db2.gz	REEQYVHPCMQFSB-UHFFFAOYSA-N	-1	0	319.317	0.186	20	30		DCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1cccc(C#N)c1	ZINC001364836049	950041130	/nfs/dbraw/zinc/04/11/30/950041130.db2.gz	OEJDGYFHHATZEM-JTQLQIEISA-N	-1	0	323.312	0.570	20	30		DCEDRM
CCn1[n-]nnc1=NC(=O)NCc1ccc(OC)c(C#N)c1	ZINC001365056489	950430701	/nfs/dbraw/zinc/43/07/01/950430701.db2.gz	PAPQAKUJWYWUKD-UHFFFAOYSA-N	-1	0	301.310	0.317	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2COc3ccccc3O2)c(C#N)c1=O	ZINC001365206603	950736946	/nfs/dbraw/zinc/73/69/46/950736946.db2.gz	KDTCPOGVCDTJDJ-SECBINFHSA-N	-1	0	314.301	0.197	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@@H]2CCC[C@@H](F)C2)c(=O)[n-]c1=O	ZINC001365212471	950746810	/nfs/dbraw/zinc/74/68/10/950746810.db2.gz	NNYVUWDZNQYVMD-GHMZBOCLSA-N	-1	0	323.328	0.400	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001490528740	950770478	/nfs/dbraw/zinc/77/04/78/950770478.db2.gz	QYIUKRPFQWCYOP-QWRGUYRKSA-N	-1	0	309.370	0.182	20	30		DCEDRM
Cn1c(=O)[n-]c(N2Cc3cc(F)c(F)cc3C2)c(C#N)c1=O	ZINC001365231949	950777032	/nfs/dbraw/zinc/77/70/32/950777032.db2.gz	PURMUUZVKNWNQC-UHFFFAOYSA-N	-1	0	304.256	0.744	20	30		DCEDRM
CCOC(=O)[C@]1(C)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC001590179356	950867542	/nfs/dbraw/zinc/86/75/42/950867542.db2.gz	YQCMORBIGKJAPZ-KGLIPLIRSA-N	-1	0	312.322	0.172	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@]1(C)OCCc2ccccc21	ZINC001331482589	951138820	/nfs/dbraw/zinc/13/88/20/951138820.db2.gz	XNOZAIATJVNAAU-HNNXBMFYSA-N	-1	0	307.371	0.944	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	ZINC001332412254	951636766	/nfs/dbraw/zinc/63/67/66/951636766.db2.gz	NPSMDZGDYACRMZ-UONOGXRCSA-N	-1	0	320.389	0.980	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001332628896	951731683	/nfs/dbraw/zinc/73/16/83/951731683.db2.gz	CJHSCUBTAXYCHJ-HZPDHXFCSA-N	-1	0	310.394	0.977	20	30		DCEDRM
CN1C[C@@]2(F)CN(Cc3cc(C#N)ccc3[O-])C[C@@]2(F)C1=O	ZINC001274667476	951779227	/nfs/dbraw/zinc/77/92/27/951779227.db2.gz	ORGOVBZFJMTKAL-HUUCEWRRSA-N	-1	0	307.300	0.968	20	30		DCEDRM
CN(C(=O)C#CC(C)(C)C)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC001333062517	951902986	/nfs/dbraw/zinc/90/29/86/951902986.db2.gz	WUXCGAKIATWNGX-UHFFFAOYSA-N	-1	0	319.409	0.237	20	30		DCEDRM
O=C([O-])COc1cccc(C(=O)N[C@@H]2CCCN(O)C2=O)c1	ZINC001595120906	951975902	/nfs/dbraw/zinc/97/59/02/951975902.db2.gz	SOLCAMGZIUFHMJ-LLVKDONJSA-N	-1	0	308.290	0.260	20	30		DCEDRM
C=CCn1nnnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC001333673956	952129392	/nfs/dbraw/zinc/12/93/92/952129392.db2.gz	RGTMOCWFTUFNAV-JTQLQIEISA-N	-1	0	304.276	0.506	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)/C=C(/C)CN1CCOCC1)C(=O)[O-]	ZINC001335001418	952435065	/nfs/dbraw/zinc/43/50/65/952435065.db2.gz	DKVBQAPUTCOPNP-MQGYJPLLSA-N	-1	0	316.785	0.977	20	30		DCEDRM
Cn1ncc2c1nc(N=NCC(C)(C)S(C)(=O)=O)[n-]c2=O	ZINC001335767691	952596906	/nfs/dbraw/zinc/59/69/06/952596906.db2.gz	GHIXVRQLFKEVFP-UHFFFAOYSA-N	-1	0	312.355	0.290	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCS(=O)(=O)C[C@@H]1C	ZINC001412029807	952608575	/nfs/dbraw/zinc/60/85/75/952608575.db2.gz	CNIWFAHZPHTHDR-VIFPVBQESA-N	-1	0	309.347	0.226	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC2(C#N)CCC2)c(=O)[n-]c1=O	ZINC001412248567	952715928	/nfs/dbraw/zinc/71/59/28/952715928.db2.gz	PWPOZBDPWZAXHB-UHFFFAOYSA-N	-1	0	301.306	0.021	20	30		DCEDRM
C[C@@H]1CCCC[C@@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412369532	952766334	/nfs/dbraw/zinc/76/63/34/952766334.db2.gz	CVGRKFONJVPWDF-PWSUYJOCSA-N	-1	0	304.350	0.763	20	30		DCEDRM
CC1(C)C[C@@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001412369046	952766790	/nfs/dbraw/zinc/76/67/90/952766790.db2.gz	ATWWTXQQQKIMFA-JTQLQIEISA-N	-1	0	320.349	0.142	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2ccc(F)cn2)c(=O)[n-]c1=O	ZINC001412444379	952805562	/nfs/dbraw/zinc/80/55/62/952805562.db2.gz	ODMGXROZJGOPBJ-UHFFFAOYSA-N	-1	0	303.253	0.383	20	30		DCEDRM
CO[C@H]1COCC[C@H]1N(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412512373	952858449	/nfs/dbraw/zinc/85/84/49/952858449.db2.gz	FPNIXRSJUQYDOF-NEPJUHHUSA-N	-1	0	305.334	0.843	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-]	ZINC001338370988	953003787	/nfs/dbraw/zinc/00/37/87/953003787.db2.gz	HDFNPXGZJNQOJP-LLVKDONJSA-N	-1	0	312.347	0.483	20	30		DCEDRM
CC[C@@H](CO)N1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001412729497	953027083	/nfs/dbraw/zinc/02/70/83/953027083.db2.gz	PEDLTXGNNHDNOX-ZDUSSCGKSA-N	-1	0	318.377	0.496	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](C)[C@H](OC)C1	ZINC001340562336	953177845	/nfs/dbraw/zinc/17/78/45/953177845.db2.gz	XRTMKHJMJWJJEN-ZYHUDNBSSA-N	-1	0	318.381	0.549	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCOC(C)(C)C1	ZINC001340554612	953178290	/nfs/dbraw/zinc/17/82/90/953178290.db2.gz	GEOXWQWFEFGUIK-UHFFFAOYSA-N	-1	0	304.354	0.303	20	30		DCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccoc1CC(N)=O	ZINC001341820609	953252758	/nfs/dbraw/zinc/25/27/58/953252758.db2.gz	GJHVVHHSELHECV-LLVKDONJSA-N	-1	0	303.318	0.689	20	30		DCEDRM
CO[C@H]1CCn2cc(C([O-])=C(C#N)C(=O)N3CCCC3)nc2C1	ZINC001341953240	953260666	/nfs/dbraw/zinc/26/06/66/953260666.db2.gz	CIGHIVGEOSCVTE-NWDGAFQWSA-N	-1	0	316.361	0.789	20	30		DCEDRM
Cc1oc(S(C)(=O)=O)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001346121963	953803609	/nfs/dbraw/zinc/80/36/09/953803609.db2.gz	QNPLDCBWOFJJOY-JTQLQIEISA-N	-1	0	310.331	0.593	20	30		DCEDRM
C#CCCCC(=O)NCC1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001285186030	955498751	/nfs/dbraw/zinc/49/87/51/955498751.db2.gz	KDAKYOWCQAHXSE-UHFFFAOYSA-N	-1	0	318.377	0.852	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)Nc1cc(CC#N)ccn1)C(=O)[O-]	ZINC001594587953	956017294	/nfs/dbraw/zinc/01/72/94/956017294.db2.gz	AFPWAOYEBSGVIR-GFCCVEGCSA-N	-1	0	314.305	0.829	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC001593921949	956087480	/nfs/dbraw/zinc/08/74/80/956087480.db2.gz	DNAUBQMGPMBNBQ-HNNXBMFYSA-N	-1	0	318.333	0.092	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC001594605633	956169459	/nfs/dbraw/zinc/16/94/59/956169459.db2.gz	GJEGRXPZFIDCKE-NEPJUHHUSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#Cc1c(Br)cccc1OCC(=O)NCC(=O)[O-]	ZINC001594612074	956225275	/nfs/dbraw/zinc/22/52/75/956225275.db2.gz	WVLAVJFKROAPDK-UHFFFAOYSA-N	-1	0	313.107	0.900	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)Nc2ncn(CC(=O)[O-])n2)c(F)c1	ZINC001594615707	956235011	/nfs/dbraw/zinc/23/50/11/956235011.db2.gz	CQNRTLLIFCOIJT-UHFFFAOYSA-N	-1	0	307.216	0.765	20	30		DCEDRM
C[C@H]1SCC[C@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413886957	956259913	/nfs/dbraw/zinc/25/99/13/956259913.db2.gz	VUHGEYXYHUFIKR-PSASIEDQSA-N	-1	0	323.378	0.014	20	30		DCEDRM
N#Cc1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])s1	ZINC001594620991	956282630	/nfs/dbraw/zinc/28/26/30/956282630.db2.gz	YDZDDPLEWQZUST-SNVBAGLBSA-N	-1	0	300.361	0.303	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)nc1	ZINC001594621398	956284346	/nfs/dbraw/zinc/28/43/46/956284346.db2.gz	KLJUTVWCPKUOQU-SNVBAGLBSA-N	-1	0	316.317	0.605	20	30		DCEDRM
N#Cc1ccc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cc1	ZINC001594623161	956295900	/nfs/dbraw/zinc/29/59/00/956295900.db2.gz	XKBYHJISWUGEOU-GFCCVEGCSA-N	-1	0	301.302	0.820	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(C[C@@H]2CCC3(CCC3)O2)c1=O	ZINC001594633469	956358526	/nfs/dbraw/zinc/35/85/26/956358526.db2.gz	SXLZIGHSLRYJGD-NSHDSACASA-N	-1	0	319.317	0.068	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)c2ccc(OCC(=O)[O-])cc2)n1	ZINC001594635739	956370191	/nfs/dbraw/zinc/37/01/91/956370191.db2.gz	SQTQHSOPXQZIFL-UHFFFAOYSA-N	-1	0	315.289	0.043	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)n1	ZINC001594635657	956370350	/nfs/dbraw/zinc/37/03/50/956370350.db2.gz	PSJSZGNHKMPSSL-JTQLQIEISA-N	-1	0	306.326	0.046	20	30		DCEDRM
CC1(C#N)CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1	ZINC001589182295	956535693	/nfs/dbraw/zinc/53/56/93/956535693.db2.gz	YTMJATJDPHZTIB-LLVKDONJSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC001603124511	972208011	/nfs/dbraw/zinc/20/80/11/972208011.db2.gz	AWXRETAHIWUZLP-JTQLQIEISA-N	-1	0	324.358	0.452	20	30		DCEDRM
C=CC(C)(C)C(=O)NCCN(CC)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001356162691	956788649	/nfs/dbraw/zinc/78/86/49/956788649.db2.gz	RJZIGXXNUSHHOV-UHFFFAOYSA-N	-1	0	323.353	0.073	20	30		DCEDRM
C#CCCCC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001292398148	956947709	/nfs/dbraw/zinc/94/77/09/956947709.db2.gz	VKNCNVQPVRERHZ-UHFFFAOYSA-N	-1	0	304.350	0.512	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@H](CC)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001356893536	957120013	/nfs/dbraw/zinc/12/00/13/957120013.db2.gz	OHWKNKGPCJFUDZ-VIFPVBQESA-N	-1	0	323.353	0.264	20	30		DCEDRM
C#CCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC	ZINC000035651072	957215559	/nfs/dbraw/zinc/21/55/59/957215559.db2.gz	XCQOMTXJVDBGAR-UHFFFAOYSA-N	-1	0	303.723	0.958	20	30		DCEDRM
CC1(C)C[C@@](C)(NCc2cc(=O)n3[n-]cc(C#N)c3n2)C(=O)O1	ZINC001414013045	957656106	/nfs/dbraw/zinc/65/61/06/957656106.db2.gz	IHJREMDUFLOLDX-OAHLLOKOSA-N	-1	0	315.333	0.880	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001295192656	957656114	/nfs/dbraw/zinc/65/61/14/957656114.db2.gz	PEZHZTCQCWZLEG-PHIMTYICSA-N	-1	0	304.350	0.604	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC001594274133	957702336	/nfs/dbraw/zinc/70/23/36/957702336.db2.gz	SKTGUDCESOYPRI-GFCCVEGCSA-N	-1	0	317.301	0.117	20	30		DCEDRM
C=CC[C@@H](NC(=O)Cn1cnc2sccc2c1=O)C(=O)[O-]	ZINC000150239003	957826078	/nfs/dbraw/zinc/82/60/78/957826078.db2.gz	BFBFQKBBGSRPJV-SECBINFHSA-N	-1	0	307.331	0.604	20	30		DCEDRM
C=CCOCC(=O)NCC[C@@H](C)NC(=O)c1c(C)nc[nH]c1=O	ZINC001295835774	957828244	/nfs/dbraw/zinc/82/82/44/957828244.db2.gz	QPLYLRNTIHNOKS-SNVBAGLBSA-N	-1	0	322.365	0.318	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588389105	958004970	/nfs/dbraw/zinc/00/49/70/958004970.db2.gz	NCEKSSBAIMRAHQ-GFCCVEGCSA-N	-1	0	304.302	0.478	20	30		DCEDRM
C#CCCNC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001588395297	958039870	/nfs/dbraw/zinc/03/98/70/958039870.db2.gz	FHWWNAZZBXEJAW-LLVKDONJSA-N	-1	0	307.350	0.117	20	30		DCEDRM
COc1cc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)ccc1C#N	ZINC001594056942	958044901	/nfs/dbraw/zinc/04/49/01/958044901.db2.gz	FPJKTXNKPHURCS-GFCCVEGCSA-N	-1	0	303.274	0.413	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2c(c1)N(C)CC2	ZINC001588395954	958045451	/nfs/dbraw/zinc/04/54/51/958045451.db2.gz	RXIYNRRRKKBHDR-UHFFFAOYSA-N	-1	0	315.329	0.164	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])n(CCC#N)n1	ZINC001594313897	958053731	/nfs/dbraw/zinc/05/37/31/958053731.db2.gz	ULYYEVGYLSIQLI-MRVPVSSYSA-N	-1	0	307.310	0.023	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@]1(c2ccccc2)CCC(=O)NC1	ZINC001588400151	958077107	/nfs/dbraw/zinc/07/71/07/958077107.db2.gz	RYOQAFNUKILFGP-KRWDZBQOSA-N	-1	0	314.341	0.381	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC001588402167	958088235	/nfs/dbraw/zinc/08/82/35/958088235.db2.gz	NEBYKVFUFIKOKI-UHFFFAOYSA-N	-1	0	305.290	0.577	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C	ZINC001588407186	958097555	/nfs/dbraw/zinc/09/75/55/958097555.db2.gz	HZMCEAIMJXDOFS-NWDGAFQWSA-N	-1	0	309.366	0.505	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ncc(C(F)(F)F)cn1	ZINC001588409337	958126309	/nfs/dbraw/zinc/12/63/09/958126309.db2.gz	WKVSCMIYRXVLCS-UHFFFAOYSA-N	-1	0	316.239	0.725	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCN(c2ccccc2)C1=O	ZINC001588409798	958132684	/nfs/dbraw/zinc/13/26/84/958132684.db2.gz	KIZRHBWCRZWHEB-CYBMUJFWSA-N	-1	0	315.329	0.521	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1	ZINC001588410401	958139490	/nfs/dbraw/zinc/13/94/90/958139490.db2.gz	UOPLDVSJRPNWTP-LBPRGKRZSA-N	-1	0	315.329	0.521	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(C(=O)OCC)c(C)n1	ZINC001588416891	958166089	/nfs/dbraw/zinc/16/60/89/958166089.db2.gz	WIFVLITVSHXCQJ-UHFFFAOYSA-N	-1	0	304.302	0.727	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C1CCC(C(=O)OC)CC1	ZINC001588425127	958222639	/nfs/dbraw/zinc/22/26/39/958222639.db2.gz	FLRIVIWKYVIFEN-UHFFFAOYSA-N	-1	0	317.363	0.068	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cc(CCO)cs2)n1C	ZINC001588426242	958227449	/nfs/dbraw/zinc/22/74/49/958227449.db2.gz	CLHALANDMOCOGD-UHFFFAOYSA-N	-1	0	320.374	0.603	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2nc(C3CC3)no2)n1CC	ZINC001588426665	958230075	/nfs/dbraw/zinc/23/00/75/958230075.db2.gz	WIIRSUFHTQCOMG-UHFFFAOYSA-N	-1	0	316.321	0.750	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC001588426636	958230859	/nfs/dbraw/zinc/23/08/59/958230859.db2.gz	SXWVGMZWYNTHSK-UHFFFAOYSA-N	-1	0	323.286	0.175	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2C[C@@H]2C#N)n1CCOC	ZINC001588426962	958236433	/nfs/dbraw/zinc/23/64/33/958236433.db2.gz	IDEDLGYNYLJHLE-MNOVXSKESA-N	-1	0	303.322	0.076	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001588430596	958258557	/nfs/dbraw/zinc/25/85/57/958258557.db2.gz	CYBVSHYQNJNXRX-UPJWGTAASA-N	-1	0	319.361	0.475	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001588438995	958310188	/nfs/dbraw/zinc/31/01/88/958310188.db2.gz	CAZQGTOMNNMMRS-ZDUSSCGKSA-N	-1	0	303.314	0.733	20	30		DCEDRM
C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588441601	958338470	/nfs/dbraw/zinc/33/84/70/958338470.db2.gz	DQNGSALFTWMPLV-GHMZBOCLSA-N	-1	0	319.365	0.716	20	30		DCEDRM
C=CCn1c(-c2ncon2)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588470509	958527748	/nfs/dbraw/zinc/52/77/48/958527748.db2.gz	PVENSXZGHAWPQE-UHFFFAOYSA-N	-1	0	304.310	0.815	20	30		DCEDRM
C=CCn1c(C[S@](C)=O)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588473074	958550058	/nfs/dbraw/zinc/55/00/58/958550058.db2.gz	WSQUHPIDIZJMKC-ZSEKCTLFSA-N	-1	0	312.395	0.644	20	30		DCEDRM
CO[C@@]1(C)C[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1(C)C	ZINC001362137855	958809331	/nfs/dbraw/zinc/80/93/31/958809331.db2.gz	JAVBDQDXVOPMFX-BMIGLBTASA-N	-1	0	320.349	0.140	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(=O)Nc2cnccc21	ZINC001362143451	958818077	/nfs/dbraw/zinc/81/80/77/958818077.db2.gz	QXZCFPYUXWEWIY-UHFFFAOYSA-N	-1	0	309.285	0.961	20	30		DCEDRM
COc1ncccc1C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594159182	958867466	/nfs/dbraw/zinc/86/74/66/958867466.db2.gz	HNTRDDIWKRKUKN-AWEZNQCLSA-N	-1	0	306.274	0.821	20	30		DCEDRM
CC1(C)CCC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362203208	958921694	/nfs/dbraw/zinc/92/16/94/958921694.db2.gz	SCAIWJDDHFSCRZ-LLVKDONJSA-N	-1	0	304.350	0.906	20	30		DCEDRM
CC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCOCC1	ZINC001362205705	958928425	/nfs/dbraw/zinc/92/84/25/958928425.db2.gz	OJWNFRWXOYDJLJ-LBPRGKRZSA-N	-1	0	320.349	0.142	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCc2ccsc2)c(=O)[n-]c1=O	ZINC001362249951	959002806	/nfs/dbraw/zinc/00/28/06/959002806.db2.gz	JQWDLBOTHNUKSA-UHFFFAOYSA-N	-1	0	304.331	0.241	20	30		DCEDRM
CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccncc1	ZINC001362255600	959015253	/nfs/dbraw/zinc/01/52/53/959015253.db2.gz	KUNSYBBBHUCZOJ-GFCCVEGCSA-N	-1	0	313.317	0.483	20	30		DCEDRM
C#CC[C@H](NC(=O)Cn1cnc2sccc2c1=O)C(=O)[O-]	ZINC000149787147	959026820	/nfs/dbraw/zinc/02/68/20/959026820.db2.gz	PBRWQGIUXDDZLW-VIFPVBQESA-N	-1	0	305.315	0.051	20	30		DCEDRM
C#CC[C@H](NC(=O)CNC(=O)c1ccccc1Cl)C(=O)[O-]	ZINC000149844215	959029540	/nfs/dbraw/zinc/02/95/40/959029540.db2.gz	CGKUMCKHTBTZRI-NSHDSACASA-N	-1	0	308.721	0.663	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(C2(O)CCOCC2)CC1	ZINC001588558388	959085443	/nfs/dbraw/zinc/08/54/43/959085443.db2.gz	RVBNEQZABIHDRZ-CYBMUJFWSA-N	-1	0	310.350	0.429	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NC2CCSCC2)c(=O)[n-]c1=O	ZINC001368045934	959148957	/nfs/dbraw/zinc/14/89/57/959148957.db2.gz	RCIYICXGRYRVPW-UHFFFAOYSA-N	-1	0	323.378	0.015	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC001588583338	959277215	/nfs/dbraw/zinc/27/72/15/959277215.db2.gz	AFYLZKVIZIFHHM-IONNQARKSA-N	-1	0	308.315	0.989	20	30		DCEDRM
COc1ncc(C)cc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362432937	959343880	/nfs/dbraw/zinc/34/38/80/959343880.db2.gz	OPVGKICIPMSQSC-UHFFFAOYSA-N	-1	0	315.289	0.171	20	30		DCEDRM
COc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)ccc1F	ZINC001362501682	959476589	/nfs/dbraw/zinc/47/65/89/959476589.db2.gz	OKVGDGRKAVAYHR-UHFFFAOYSA-N	-1	0	318.264	0.607	20	30		DCEDRM
CC(C)(C#N)CC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001588607277	959484976	/nfs/dbraw/zinc/48/49/76/959484976.db2.gz	RSHIVNQTILDDFU-LLVKDONJSA-N	-1	0	321.377	0.850	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@@]2(CCOC2)C1	ZINC001362538860	959554228	/nfs/dbraw/zinc/55/42/28/959554228.db2.gz	YNVLBTJWLLULGH-HNNXBMFYSA-N	-1	0	303.318	0.599	20	30		DCEDRM
CC(C)(C)[C@](C)(C#N)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588640946	959691461	/nfs/dbraw/zinc/69/14/61/959691461.db2.gz	RIJFXLFRTWDRPD-HNNXBMFYSA-N	-1	0	305.334	0.991	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC2(C3CCC3)CCC2)c(=O)[n-]c1=O	ZINC001362701561	959854504	/nfs/dbraw/zinc/85/45/04/959854504.db2.gz	OMVNOEAWUUUWKC-UHFFFAOYSA-N	-1	0	316.361	0.907	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC[C@H]2CC2(F)F)c(=O)[n-]c1=O	ZINC001362707743	959865570	/nfs/dbraw/zinc/86/55/70/959865570.db2.gz	DPRLHHBISJUAEE-VIFPVBQESA-N	-1	0	312.276	0.372	20	30		DCEDRM
CON=Cc1ccc(C(=O)NC2(c3nnn[n-]3)CCC2)cc1	ZINC001303221363	960043065	/nfs/dbraw/zinc/04/30/65/960043065.db2.gz	GUZNLIPVUDPGFR-UHFFFAOYSA-N	-1	0	300.322	0.989	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](C)N(CCO)C[C@H]1C	ZINC001362902917	960155405	/nfs/dbraw/zinc/15/54/05/960155405.db2.gz	LNMLKZCVCIFZAS-VXGBXAGGSA-N	-1	0	318.377	0.494	20	30		DCEDRM
CC(=O)NC1(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCCCC1	ZINC001362969010	960238477	/nfs/dbraw/zinc/23/84/77/960238477.db2.gz	IKTKZJWGUFXLQA-UHFFFAOYSA-N	-1	0	300.322	0.931	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)cc1C#N	ZINC001363009386	960293575	/nfs/dbraw/zinc/29/35/75/960293575.db2.gz	VQDBBLFXVLNLFI-IEBDPFPHSA-N	-1	0	323.374	0.385	20	30		DCEDRM
N#CC1(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)CCOCC1	ZINC001363051476	960347727	/nfs/dbraw/zinc/34/77/27/960347727.db2.gz	QNSDUBZXECJZDD-GFCCVEGCSA-N	-1	0	312.333	0.726	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC001363113206	960415280	/nfs/dbraw/zinc/41/52/80/960415280.db2.gz	VKKMLGHGLVJHLH-UHFFFAOYSA-N	-1	0	305.319	0.641	20	30		DCEDRM
CC[C@H]1CCC[C@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363128019	960439438	/nfs/dbraw/zinc/43/94/38/960439438.db2.gz	KILPQJWUHIWOSH-CMPLNLGQSA-N	-1	0	304.350	0.763	20	30		DCEDRM
CCC(O)(CC)CN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363198247	960581387	/nfs/dbraw/zinc/58/13/87/960581387.db2.gz	URHXIIIVMVUCEY-UHFFFAOYSA-N	-1	0	322.365	0.220	20	30		DCEDRM
COC[C@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1	ZINC001363197167	960584131	/nfs/dbraw/zinc/58/41/31/960584131.db2.gz	PPADLQNIKRVCPD-GFCCVEGCSA-N	-1	0	303.322	0.154	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)c3c[n-]ncc3=O)CC2)cn1	ZINC001363336402	960928820	/nfs/dbraw/zinc/92/88/20/960928820.db2.gz	TWDZBWYUGAZISZ-UHFFFAOYSA-N	-1	0	310.317	0.411	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2cc(C3CC3)no2)c(=O)[n-]c1=O	ZINC001363339629	960937051	/nfs/dbraw/zinc/93/70/51/960937051.db2.gz	XEQYSVJJAZJVFC-UHFFFAOYSA-N	-1	0	315.289	0.002	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2nnc(C)c(C)c2C#N)C[C@H]1C(=O)[O-]	ZINC001571085673	961057113	/nfs/dbraw/zinc/05/71/13/961057113.db2.gz	SBVBNXOBRMMEOM-GHMZBOCLSA-N	-1	0	304.306	0.275	20	30		DCEDRM
C[C@@]1(C#N)CN(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CCO1	ZINC001571097348	961188095	/nfs/dbraw/zinc/18/80/95/961188095.db2.gz	WZFMKVIWKXGUTE-VNUHZKFNSA-N	-1	0	307.350	0.810	20	30		DCEDRM
N#CC1(CNC(=O)NC2CCN(C(=O)[O-])CC2)CCOCC1	ZINC001571106593	961285780	/nfs/dbraw/zinc/28/57/80/961285780.db2.gz	SAZMVPQLORHVLD-UHFFFAOYSA-N	-1	0	310.354	0.748	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCC(c3nnn[n-]3)CC2)c1	ZINC001363519438	961345848	/nfs/dbraw/zinc/34/58/48/961345848.db2.gz	QDKQMYJKLQPJDP-UHFFFAOYSA-N	-1	0	312.333	0.856	20	30		DCEDRM
CC(=O)[C@H]1CC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001363601751	961532211	/nfs/dbraw/zinc/53/22/11/961532211.db2.gz	AWLHHNDYCWNMGZ-UMSPYCQHSA-N	-1	0	318.333	0.085	20	30		DCEDRM
N#Cc1ccc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)nc1	ZINC001574488926	961698651	/nfs/dbraw/zinc/69/86/51/961698651.db2.gz	UYGFHWONTGFLHB-SNVBAGLBSA-N	-1	0	302.290	0.215	20	30		DCEDRM
C=C1CC(C)(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)C1	ZINC001334200422	961781274	/nfs/dbraw/zinc/78/12/74/961781274.db2.gz	BJYKYHUOFFIHSB-INIZCTEOSA-N	-1	0	308.378	0.731	20	30		DCEDRM
Cn1cc(C(F)F)c(CNc2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001363740258	961792820	/nfs/dbraw/zinc/79/28/20/961792820.db2.gz	FVAFXFMHJNTASA-UHFFFAOYSA-N	-1	0	310.264	0.228	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cnn3c2CCCC3)c(C#N)c1=O	ZINC001363747618	961804448	/nfs/dbraw/zinc/80/44/48/961804448.db2.gz	CKBOUWMMOMNAHL-UHFFFAOYSA-N	-1	0	300.322	0.090	20	30		DCEDRM
COc1cc(C#N)ccc1OCCn1c(=O)[n-]cc(C#N)c1=O	ZINC001363760784	961826144	/nfs/dbraw/zinc/82/61/44/961826144.db2.gz	KPVUUGPFCYPTRC-UHFFFAOYSA-N	-1	0	312.285	0.368	20	30		DCEDRM
COc1nsc(CN2CCN(C(=O)CC#N)CC2)c1C(=O)[O-]	ZINC001571165908	961997243	/nfs/dbraw/zinc/99/72/43/961997243.db2.gz	QHECQMYMFNGJLO-UHFFFAOYSA-N	-1	0	324.362	0.408	20	30		DCEDRM
CC[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H](CC)CO1	ZINC001363871620	962055943	/nfs/dbraw/zinc/05/59/43/962055943.db2.gz	IOSOKIYZVFENEK-NWDGAFQWSA-N	-1	0	320.349	0.237	20	30		DCEDRM
Cc1ccccc1C[C@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364165234	962592740	/nfs/dbraw/zinc/59/27/40/962592740.db2.gz	AMVFCPSDVDLCMZ-GFCCVEGCSA-N	-1	0	314.345	0.269	20	30		DCEDRM
C#CCN(C(=O)CNC(=O)[O-])C1CCN(C(=O)[C@@H](C)CC)CC1	ZINC001573302301	962649948	/nfs/dbraw/zinc/64/99/48/962649948.db2.gz	UTMBGHUAQZVYSO-LBPRGKRZSA-N	-1	0	323.393	0.753	20	30		DCEDRM
C#CC[C@H](NC(=O)/C=C\c1cncc(C(=O)NC)c1)C(=O)[O-]	ZINC001573302714	962661540	/nfs/dbraw/zinc/66/15/40/962661540.db2.gz	PFEOILUJAAQMDE-FJOGCWAESA-N	-1	0	301.302	0.047	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1CCN(C(=O)CNC(=O)[O-])C[C@H]1C	ZINC001573304028	962684631	/nfs/dbraw/zinc/68/46/31/962684631.db2.gz	XFDSRMMIAWDZJD-CHWSQXEVSA-N	-1	0	323.393	0.658	20	30		DCEDRM
C=C(Br)CN(C)C[C@H](C)NC(=O)CNC(=O)[O-]	ZINC001573313627	962734432	/nfs/dbraw/zinc/73/44/32/962734432.db2.gz	MXJDEXPILQKCKQ-QMMMGPOBSA-N	-1	0	308.176	0.599	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1	ZINC001573313802	962736843	/nfs/dbraw/zinc/73/68/43/962736843.db2.gz	QXLMVGGHDBHYGM-MFKMUULPSA-N	-1	0	309.343	0.531	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CNc1ccccc1C(N)=O)C(=O)[O-]	ZINC001573322454	962771537	/nfs/dbraw/zinc/77/15/37/962771537.db2.gz	ZIKZKDBPIFOQNK-LBPRGKRZSA-N	-1	0	305.334	0.733	20	30		DCEDRM
C=C(C)CCC(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573324216	962781435	/nfs/dbraw/zinc/78/14/35/962781435.db2.gz	OYDKZLSFRCTDAL-VXGBXAGGSA-N	-1	0	324.377	0.143	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O	ZINC001364284146	962814452	/nfs/dbraw/zinc/81/44/52/962814452.db2.gz	ICEXWVNSSOEWPJ-UHFFFAOYSA-N	-1	0	322.683	0.839	20	30		DCEDRM
C=C1CC(C)(C(=O)NC2CC(CNC(=O)CNC(=O)[O-])C2)C1	ZINC001573344393	962918801	/nfs/dbraw/zinc/91/88/01/962918801.db2.gz	VSNPFDXHDJGEAW-UHFFFAOYSA-N	-1	0	309.366	0.621	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)[O-]	ZINC001573348643	962960166	/nfs/dbraw/zinc/96/01/66/962960166.db2.gz	YSLRPOATZDGWBG-ZIBATOQPSA-N	-1	0	309.366	0.668	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)[O-])C1	ZINC001573353298	962998987	/nfs/dbraw/zinc/99/89/87/962998987.db2.gz	TYJOYOCEVOTBDH-NHYWBVRUSA-N	-1	0	309.366	0.718	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])nn1	ZINC001573360583	963040235	/nfs/dbraw/zinc/04/02/35/963040235.db2.gz	SIXTTWKOIIJEJW-JTQLQIEISA-N	-1	0	324.337	0.190	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)OC)C(=O)[O-]	ZINC001573369756	963101757	/nfs/dbraw/zinc/10/17/57/963101757.db2.gz	ZKQCTNSBMPJUSH-TUAOUCFPSA-N	-1	0	313.350	0.738	20	30		DCEDRM
C#CCCCCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588439854	964031991	/nfs/dbraw/zinc/03/19/91/964031991.db2.gz	HRZKBVQNOQDWBY-CRWXNKLISA-N	-1	0	320.389	0.912	20	30		DCEDRM
C#CCCCCNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001588442490	964057363	/nfs/dbraw/zinc/05/73/63/964057363.db2.gz	SIUWZDLZSOERQS-LBPRGKRZSA-N	-1	0	306.362	0.619	20	30		DCEDRM
CCO[C@@H]1C[C@@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)[C@H]1OC	ZINC001448120934	1013765141	/nfs/dbraw/zinc/76/51/41/1013765141.db2.gz	QQVYJFPWRVSLHX-NQBHXWOUSA-N	-1	0	305.334	0.890	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000320331427	970649938	/nfs/dbraw/zinc/64/99/38/970649938.db2.gz	YQFFOLDABTYMEE-VIFPVBQESA-N	-1	0	303.311	0.739	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)NC2(C(=O)[O-])CCCC2)cc1	ZINC001610626751	970757273	/nfs/dbraw/zinc/75/72/73/970757273.db2.gz	RTLMUYUGRVQQRS-UHFFFAOYSA-N	-1	0	315.329	0.802	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001604272156	972832483	/nfs/dbraw/zinc/83/24/83/972832483.db2.gz	QYKCFXGOQBLYMX-AOOOYVTPSA-N	-1	0	309.322	0.338	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])CC(=O)Nc1ccc(C#N)cc1	ZINC001604311731	972972114	/nfs/dbraw/zinc/97/21/14/972972114.db2.gz	WOVMSHXQALZWCX-UHFFFAOYSA-N	-1	0	319.317	0.446	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)C1	ZINC001604523995	973474532	/nfs/dbraw/zinc/47/45/32/973474532.db2.gz	YLXGVYGCANZMLP-CZUORRHYSA-N	-1	0	318.329	0.541	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)[C@]2(C#N)CC23CCCC3)CCO1	ZINC001604551835	973578334	/nfs/dbraw/zinc/57/83/34/973578334.db2.gz	WKERNDQRFCITFZ-HZPDHXFCSA-N	-1	0	322.361	0.789	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2cc(C#N)ccc2F)CCO1	ZINC001604556357	973584910	/nfs/dbraw/zinc/58/49/10/973584910.db2.gz	DUBPCJXDEHLSDG-HNNXBMFYSA-N	-1	0	322.292	0.640	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(Cc2cc(C#N)ccc2F)CCO1	ZINC001604564164	973622850	/nfs/dbraw/zinc/62/28/50/973622850.db2.gz	HDFIGABYCLUQEO-HNNXBMFYSA-N	-1	0	308.309	0.999	20	30		DCEDRM
CCOC(=O)c1cnc(C)c(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC001605579935	1169964690	/nfs/dbraw/zinc/96/46/90/1169964690.db2.gz	NCKCCTHXLOXBTN-UHFFFAOYSA-N	-1	0	305.290	0.617	20	30		DCEDRM
N#CCC1(CNC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1	ZINC001605581607	973857952	/nfs/dbraw/zinc/85/79/52/973857952.db2.gz	DHQKNIZRIIKDSN-LLVKDONJSA-N	-1	0	307.350	0.510	20	30		DCEDRM
N#C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001605583030	973870280	/nfs/dbraw/zinc/87/02/80/973870280.db2.gz	JWPZSEVKABLMSC-IJLUTSLNSA-N	-1	0	308.334	0.935	20	30		DCEDRM
N#C[C@]1(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCc2ccccc2C1	ZINC001605583596	973875013	/nfs/dbraw/zinc/87/50/13/973875013.db2.gz	XDAMFQWSCUYFNO-BBRMVZONSA-N	-1	0	313.313	0.783	20	30		DCEDRM
N#CCc1cccc(NC(=O)c2cccn(CC(=O)[O-])c2=O)n1	ZINC001605601241	973901526	/nfs/dbraw/zinc/90/15/26/973901526.db2.gz	DMAVHGPODSEFGT-UHFFFAOYSA-N	-1	0	312.285	0.646	20	30		DCEDRM
N#Cc1ccc(CN2CCN(C(=O)C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC001605602028	973910008	/nfs/dbraw/zinc/91/00/08/973910008.db2.gz	LCPFRJUJOWCVNR-UHFFFAOYSA-N	-1	0	318.289	0.195	20	30		DCEDRM
CC1(C)CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C#N	ZINC001449039036	1014151072	/nfs/dbraw/zinc/15/10/72/1014151072.db2.gz	CZRSARHSEAHKPX-LLVKDONJSA-N	-1	0	315.333	0.361	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001605623045	973947436	/nfs/dbraw/zinc/94/74/36/973947436.db2.gz	RRGYFILUOIEKDW-WDEREUQCSA-N	-1	0	302.334	0.982	20	30		DCEDRM
N#Cc1cccnc1NCCOC(=O)c1cnc(C(=O)[O-])cn1	ZINC001605623059	973947526	/nfs/dbraw/zinc/94/75/26/973947526.db2.gz	SHBUNVQFHQTCRX-UHFFFAOYSA-N	-1	0	313.273	0.710	20	30		DCEDRM
N#Cc1nccc(N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)n1	ZINC001605625840	973950574	/nfs/dbraw/zinc/95/05/74/973950574.db2.gz	BRFZNFKNRPFMSA-JTQLQIEISA-N	-1	0	315.333	0.250	20	30		DCEDRM
CCOC(=O)Cn1nc(C)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001603800694	974268990	/nfs/dbraw/zinc/26/89/90/974268990.db2.gz	LTHXGVZAMSUQOX-AWEZNQCLSA-N	-1	0	322.321	0.698	20	30		DCEDRM
CCS(=O)(=O)C1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC001603884982	974383660	/nfs/dbraw/zinc/38/36/60/974383660.db2.gz	BWMOUXGMUOAAPV-CYBMUJFWSA-N	-1	0	316.379	0.417	20	30		DCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(C#CCO)c1	ZINC001591709808	975580672	/nfs/dbraw/zinc/58/06/72/975580672.db2.gz	ONCQDXBITDNFGR-OAHLLOKOSA-N	-1	0	319.357	0.981	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)s1	ZINC000715276063	977720873	/nfs/dbraw/zinc/72/08/73/977720873.db2.gz	VRIXZNRKJVSMEO-XPUUQOCRSA-N	-1	0	322.314	0.864	20	30		DCEDRM
CC[C@H]1CCCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001595453453	981119748	/nfs/dbraw/zinc/11/97/48/981119748.db2.gz	SEHLEUGTCONADA-LBPRGKRZSA-N	-1	0	321.377	0.852	20	30		DCEDRM
CCC[C@@H](C)N1C[C@@H](C(=O)N(CC#N)CCC(=O)[O-])CC1=O	ZINC001595578040	981497379	/nfs/dbraw/zinc/49/73/79/981497379.db2.gz	FMANMVOSQGREDG-NEPJUHHUSA-N	-1	0	309.366	0.850	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(=O)N2CCOCC2)cc1	ZINC001523925717	1014802533	/nfs/dbraw/zinc/80/25/33/1014802533.db2.gz	WGMVQDSPZDGFMB-ZDUSSCGKSA-N	-1	0	315.329	0.227	20	30		DCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001588368957	983309878	/nfs/dbraw/zinc/30/98/78/983309878.db2.gz	WLDRDHFDAWWVGX-ZETCQYMHSA-N	-1	0	309.347	0.582	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)C1CCOCC1	ZINC001588376625	983352582	/nfs/dbraw/zinc/35/25/82/983352582.db2.gz	WDZSAPZBPMRUIJ-SNVBAGLBSA-N	-1	0	313.331	0.685	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001588383897	983385110	/nfs/dbraw/zinc/38/51/10/983385110.db2.gz	ODOMSWVMZLMSCS-VIFPVBQESA-N	-1	0	320.276	0.323	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)NCc1ccc(C(=O)[O-])c(OC)c1	ZINC001588384005	983386431	/nfs/dbraw/zinc/38/64/31/983386431.db2.gz	RUXPPVZWVHMTMU-GFCCVEGCSA-N	-1	0	318.329	0.937	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC001588384161	983387698	/nfs/dbraw/zinc/38/76/98/983387698.db2.gz	XSOBDVNBFZEVEU-GFCCVEGCSA-N	-1	0	318.329	0.937	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588394734	983403810	/nfs/dbraw/zinc/40/38/10/983403810.db2.gz	NUZQDRLFQIBCJR-SNVBAGLBSA-N	-1	0	308.338	0.863	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@]1(c2ccccc2)CNC(=O)C1)C(=O)[O-]	ZINC001588398624	983413742	/nfs/dbraw/zinc/41/37/42/983413742.db2.gz	LOGPUHLDDHPTFG-MLGOLLRUSA-N	-1	0	300.314	0.037	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CSCN1C(=O)OCC)C(=O)[O-]	ZINC001588407019	983427294	/nfs/dbraw/zinc/42/72/94/983427294.db2.gz	URLCIHBFPMBBPP-BDAKNGLRSA-N	-1	0	300.336	0.111	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1ccccc1N1CCCC1=O)C(=O)[O-]	ZINC001588407761	983429509	/nfs/dbraw/zinc/42/95/09/983429509.db2.gz	OJMAPPAUNFGZHJ-ZDUSSCGKSA-N	-1	0	314.341	0.949	20	30		DCEDRM
C#CC[C@H](NC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)[O-]	ZINC001588407931	983429857	/nfs/dbraw/zinc/42/98/57/983429857.db2.gz	RLSBAEBWECWVFG-NSHDSACASA-N	-1	0	315.285	0.096	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)C[C@@H]1CCCC(C)(C)O1)C(=O)[O-]	ZINC001588423567	983453044	/nfs/dbraw/zinc/45/30/44/983453044.db2.gz	LCBMLAKFFXSJBF-QWRGUYRKSA-N	-1	0	303.380	0.730	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc2c1O[C@H](C)C2)C(=O)[O-]	ZINC001588428539	983462543	/nfs/dbraw/zinc/46/25/43/983462543.db2.gz	RZDQJFQGZYGRPY-KOLCDFICSA-N	-1	0	309.343	0.765	20	30		DCEDRM
C#CCC1(O)CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1	ZINC001588431785	983465825	/nfs/dbraw/zinc/46/58/25/983465825.db2.gz	NHXSYHPZLHYAAB-QWHCGFSZSA-N	-1	0	309.362	0.633	20	30		DCEDRM
C#CC[C@H]1NC(=O)N(Cc2ccc(OC)c(C(=O)[O-])c2)C1=O	ZINC001588434823	983473045	/nfs/dbraw/zinc/47/30/45/983473045.db2.gz	UYIKSUWZWUVGOV-LLVKDONJSA-N	-1	0	302.286	0.837	20	30		DCEDRM
C#CCCCC(=O)N1CCC(Nc2ccnc(C(=O)[O-])n2)CC1	ZINC001588435185	983475029	/nfs/dbraw/zinc/47/50/29/983475029.db2.gz	GJMARVBRMGZIIQ-UHFFFAOYSA-N	-1	0	316.361	0.803	20	30		DCEDRM
C#CCN(C)c1nnnn1CCc1ccc(C(=O)[O-])cc1OC	ZINC001588464194	983493870	/nfs/dbraw/zinc/49/38/70/983493870.db2.gz	ZMGGEWDQMKZKHP-UHFFFAOYSA-N	-1	0	315.333	0.692	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1	ZINC001588477318	983515273	/nfs/dbraw/zinc/51/52/73/983515273.db2.gz	YDCSBFBANVBFMQ-BFHYXJOUSA-N	-1	0	307.394	0.836	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H](C)CN(C)c1ccnc(C(=O)[O-])n1	ZINC001588490007	983529910	/nfs/dbraw/zinc/52/99/10/983529910.db2.gz	PXLPTCRCQCMIAG-NSHDSACASA-N	-1	0	320.349	0.156	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588490523	983532408	/nfs/dbraw/zinc/53/24/08/983532408.db2.gz	OLSFAHSKQVMBIM-WBMJQRKESA-N	-1	0	309.362	0.633	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)N2CC(O)(C(=O)[O-])C2)cc1	ZINC001588497473	983539132	/nfs/dbraw/zinc/53/91/32/983539132.db2.gz	ISFVKJGVBMUQLH-UHFFFAOYSA-N	-1	0	304.302	0.040	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)cc1	ZINC001588497837	983541688	/nfs/dbraw/zinc/54/16/88/983541688.db2.gz	FJMKGUAHDIOLHA-UHFFFAOYSA-N	-1	0	316.313	0.618	20	30		DCEDRM
C#CCSCCNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588506015	983550521	/nfs/dbraw/zinc/55/05/21/983550521.db2.gz	DUDVLDUBJBYNPO-JTQLQIEISA-N	-1	0	323.378	0.299	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)Cc2oncc2C(=O)[O-])n1	ZINC001588510772	983556783	/nfs/dbraw/zinc/55/67/83/983556783.db2.gz	LHOJHOVHTVFMCF-UHFFFAOYSA-N	-1	0	318.333	0.851	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])cc1	ZINC001588517653	983566038	/nfs/dbraw/zinc/56/60/38/983566038.db2.gz	DLWDCRQRJIORGE-OCCSQVGLSA-N	-1	0	323.370	0.969	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)cc1	ZINC001588517861	983567014	/nfs/dbraw/zinc/56/70/14/983567014.db2.gz	HXZWRFRHBCOHJF-UHFFFAOYSA-N	-1	0	323.370	0.922	20	30		DCEDRM
C#Cc1cccc(Cn2nnnc2N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1	ZINC001588522449	983571468	/nfs/dbraw/zinc/57/14/68/983571468.db2.gz	YDLYPLXDHHKYAM-WDNDVIMCSA-N	-1	0	309.329	0.470	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CCS(=O)(=O)CC(C)C)C(=O)[O-]	ZINC001588540110	983602576	/nfs/dbraw/zinc/60/25/76/983602576.db2.gz	ACGNSMUFZWRILB-LLVKDONJSA-N	-1	0	305.396	0.983	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)Cc1noc(C2CC2)n1)C(=O)[O-]	ZINC001588555223	983633867	/nfs/dbraw/zinc/63/38/67/983633867.db2.gz	BLXKKBKSEIDPBJ-VIFPVBQESA-N	-1	0	315.351	0.786	20	30		DCEDRM
C=C(C)CN1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)C1	ZINC001588585162	983662911	/nfs/dbraw/zinc/66/29/11/983662911.db2.gz	LMSQUEIZZPFUEI-HUUCEWRRSA-N	-1	0	322.405	0.975	20	30		DCEDRM
C=C(CC)CNC(=O)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588605425	983692749	/nfs/dbraw/zinc/69/27/49/983692749.db2.gz	FGQWWSKEKRMDGF-BGMSHATGSA-N	-1	0	324.377	0.597	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1	ZINC001588605470	983693254	/nfs/dbraw/zinc/69/32/54/983693254.db2.gz	IMPHBAHACYRTSV-OPQQBVKSSA-N	-1	0	309.322	0.948	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCCc2c1cnn2CCO	ZINC001588623587	983729081	/nfs/dbraw/zinc/72/90/81/983729081.db2.gz	TVTYJJOMEWLXKL-LBPRGKRZSA-N	-1	0	307.350	0.790	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCN1C(=O)c2ccccc2C1=O	ZINC001588624389	983731652	/nfs/dbraw/zinc/73/16/52/983731652.db2.gz	HLNFBAQKWXHQLL-UHFFFAOYSA-N	-1	0	316.313	0.820	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nnc2ccc(N(C)C)nn21	ZINC001588630012	983740645	/nfs/dbraw/zinc/74/06/45/983740645.db2.gz	AEKGHCCMMUZVIE-UHFFFAOYSA-N	-1	0	318.337	0.228	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ncc(C#N)cc1F	ZINC001596332351	983770116	/nfs/dbraw/zinc/77/01/16/983770116.db2.gz	HVCWTQPNJRGCCZ-GHMZBOCLSA-N	-1	0	320.324	0.756	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001588684075	983855221	/nfs/dbraw/zinc/85/52/21/983855221.db2.gz	KLAJJFQRUTUPNN-CQSZACIVSA-N	-1	0	308.338	0.467	20	30		DCEDRM
C=C[C@H](OC(=O)CSCC(=O)N1CCCCC1)C(=O)[O-]	ZINC001588710524	983932653	/nfs/dbraw/zinc/93/26/53/983932653.db2.gz	DHUQORIWYUULFU-JTQLQIEISA-N	-1	0	301.364	0.915	20	30		DCEDRM
C=C[C@@H](OC(=O)Cn1cnc2c(C)cccc2c1=O)C(=O)[O-]	ZINC001588711295	983936922	/nfs/dbraw/zinc/93/69/22/983936922.db2.gz	NUPYMTUMNMAHCG-LLVKDONJSA-N	-1	0	302.286	0.887	20	30		DCEDRM
C=C[C@@H](OC(=O)c1ccccc1OCC(=O)N(C)C)C(=O)[O-]	ZINC001588712727	983946022	/nfs/dbraw/zinc/94/60/22/983946022.db2.gz	NBGPFXMENNRQAD-LLVKDONJSA-N	-1	0	307.302	0.950	20	30		DCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588735636	984019650	/nfs/dbraw/zinc/01/96/50/984019650.db2.gz	HCXIWBWYGHPQHV-RYUDHWBXSA-N	-1	0	312.366	0.141	20	30		DCEDRM
C=CCC(CC=C)C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588737942	984031159	/nfs/dbraw/zinc/03/11/59/984031159.db2.gz	XHCCYFMFXGVJSW-OLZOCXBDSA-N	-1	0	306.362	0.803	20	30		DCEDRM
C=CC[C@@H](CO)Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC001588744798	984045774	/nfs/dbraw/zinc/04/57/74/984045774.db2.gz	QWPRVRAOGGYXBG-JTQLQIEISA-N	-1	0	323.305	0.758	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1	ZINC001588768689	984130558	/nfs/dbraw/zinc/13/05/58/984130558.db2.gz	BHETVEUSVJYDRF-VXGBXAGGSA-N	-1	0	312.366	0.589	20	30		DCEDRM
C=CCC1(O)CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001588769150	984132353	/nfs/dbraw/zinc/13/23/53/984132353.db2.gz	NDQDJNNNXNPJII-NEPJUHHUSA-N	-1	0	317.407	0.973	20	30		DCEDRM
C=CCCC(=O)NC[C@@]1(O)CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001588773711	984148867	/nfs/dbraw/zinc/14/88/67/984148867.db2.gz	GLXLDKXOZPTRIC-HNNXBMFYSA-N	-1	0	320.349	0.198	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588774010	984150397	/nfs/dbraw/zinc/15/03/97/984150397.db2.gz	OSCNVOMWDVYXDU-GHMZBOCLSA-N	-1	0	304.350	0.822	20	30		DCEDRM
C=CCCCC(=O)N1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588782171	984170346	/nfs/dbraw/zinc/17/03/46/984170346.db2.gz	RNGSQFNVVBIBSY-NWDGAFQWSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C(=O)[O-]	ZINC001588787778	984188547	/nfs/dbraw/zinc/18/85/47/984188547.db2.gz	YDCPWGIUAPNVHK-QWRGUYRKSA-N	-1	0	320.411	0.486	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCc2nnnn2CC1)C(=O)[O-]	ZINC001588790195	984204562	/nfs/dbraw/zinc/20/45/62/984204562.db2.gz	SJKMHJNNYYWWQP-MNOVXSKESA-N	-1	0	307.354	0.551	20	30		DCEDRM
C=CCCS(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001588813552	984270169	/nfs/dbraw/zinc/27/01/69/984270169.db2.gz	WDAULRRJINNAFC-UWVGGRQHSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=CCCn1cc(CN2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)[O-])nn1	ZINC001588819715	984278800	/nfs/dbraw/zinc/27/88/00/984278800.db2.gz	ANTMHKIOEZCPHG-WCQYABFASA-N	-1	0	322.365	0.692	20	30		DCEDRM
C=CCN(CCOC)S(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001588828807	984309285	/nfs/dbraw/zinc/30/92/85/984309285.db2.gz	NQSQRDQOJHOHNP-UHFFFAOYSA-N	-1	0	302.352	0.546	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])n(C)n2)C1=O	ZINC001588837301	984333698	/nfs/dbraw/zinc/33/36/98/984333698.db2.gz	XWOSTLGFFACQID-SECBINFHSA-N	-1	0	321.337	0.369	20	30		DCEDRM
C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1cccc(C(=O)[O-])n1	ZINC001588839084	984344311	/nfs/dbraw/zinc/34/43/11/984344311.db2.gz	NICZFKSDAWISRB-VIFPVBQESA-N	-1	0	312.347	0.385	20	30		DCEDRM
C=CCOCC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCCC1	ZINC001588850728	984379038	/nfs/dbraw/zinc/37/90/38/984379038.db2.gz	BBYPHQSNHYBXGX-NWDGAFQWSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C(=O)[O-]	ZINC001588850968	984381733	/nfs/dbraw/zinc/38/17/33/984381733.db2.gz	MHWCYUSGYVKBJV-KOLCDFICSA-N	-1	0	310.306	0.170	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C(=O)[O-]	ZINC001588850967	984381741	/nfs/dbraw/zinc/38/17/41/984381741.db2.gz	MHWCYUSGYVKBJV-GXSJLCMTSA-N	-1	0	310.306	0.170	20	30		DCEDRM
C=CCOC[C@H](NC(=O)/C=C/c1ccc(C(N)=O)o1)C(=O)[O-]	ZINC001588854277	984389613	/nfs/dbraw/zinc/38/96/13/984389613.db2.gz	UCFAXTVJTUNNLU-RWCYGVJQSA-N	-1	0	308.290	0.164	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC001588855979	984395786	/nfs/dbraw/zinc/39/57/86/984395786.db2.gz	SYPGGVZQIIJRGA-CABZTGNLSA-N	-1	0	309.366	0.912	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCc2nncn2CC1)C(=O)[O-]	ZINC001588855984	984395830	/nfs/dbraw/zinc/39/58/30/984395830.db2.gz	SYZPQOHKTZBEIR-QWRGUYRKSA-N	-1	0	308.338	0.003	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1N)C(=O)[O-]	ZINC001588859863	984409154	/nfs/dbraw/zinc/40/91/54/984409154.db2.gz	ZLPZOTRMUUUWBB-JTQLQIEISA-N	-1	0	323.305	0.871	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)[O-]	ZINC001588861683	984416028	/nfs/dbraw/zinc/41/60/28/984416028.db2.gz	JQNRPGSYQARGEA-SECBINFHSA-N	-1	0	309.278	0.563	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cc(C#N)ccc1C)C(=O)[O-]	ZINC001588866450	984425125	/nfs/dbraw/zinc/42/51/25/984425125.db2.gz	MUSVUBFCYJISIH-GFCCVEGCSA-N	-1	0	324.358	0.801	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588877511	984453989	/nfs/dbraw/zinc/45/39/89/984453989.db2.gz	VSFANMGLDXCIEQ-JQWIXIFHSA-N	-1	0	306.318	0.961	20	30		DCEDRM
C=CCn1c(-c2cc[nH]n2)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001588889768	984482022	/nfs/dbraw/zinc/48/20/22/984482022.db2.gz	DBCNEIQAUBAKIL-SNVBAGLBSA-N	-1	0	318.337	0.534	20	30		DCEDRM
C=CCn1c([C@H]2COCCN2C)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588896618	984503262	/nfs/dbraw/zinc/50/32/62/984503262.db2.gz	COFYHHAHPRYIOC-NWDGAFQWSA-N	-1	0	321.381	0.378	20	30		DCEDRM
C=C[C@H](CO)Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC001588919211	984570612	/nfs/dbraw/zinc/57/06/12/984570612.db2.gz	BNEMNSCTYZEZCM-WCBMZHEXSA-N	-1	0	323.305	0.757	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC001588925346	984586249	/nfs/dbraw/zinc/58/62/49/984586249.db2.gz	PGZUQSVORNQFOQ-SECBINFHSA-N	-1	0	315.322	0.577	20	30		DCEDRM
CC#CCCCC(=O)NCCN(C)c1ncc(C(=O)[O-])cn1	ZINC001588926940	984595231	/nfs/dbraw/zinc/59/52/31/984595231.db2.gz	DLJNWVPDRYPPIN-UHFFFAOYSA-N	-1	0	304.350	0.921	20	30		DCEDRM
CCOC(=O)NCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001596659565	984713071	/nfs/dbraw/zinc/71/30/71/984713071.db2.gz	UZGSBQGOQBKVMJ-GFCCVEGCSA-N	-1	0	306.274	0.973	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)C[C@]1(C)C(=O)[O-]	ZINC001599910494	984978887	/nfs/dbraw/zinc/97/88/87/984978887.db2.gz	WYRHURZTLUPMON-XZJROXQQSA-N	-1	0	321.377	0.708	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC001596869659	985690829	/nfs/dbraw/zinc/69/08/29/985690829.db2.gz	QQODLEZHLYIUMF-OLZOCXBDSA-N	-1	0	306.318	0.540	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)c1cc(C(=O)[O-])co1)C1CC1	ZINC001589324100	986153357	/nfs/dbraw/zinc/15/33/57/986153357.db2.gz	VAFNSIVOANPEEE-CQSZACIVSA-N	-1	0	306.274	0.943	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)CC1(C)C	ZINC001589328303	986156595	/nfs/dbraw/zinc/15/65/95/986156595.db2.gz	ADYXOMYSCLSTTP-NXEZZACHSA-N	-1	0	317.349	0.665	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1C	ZINC001589328618	986157618	/nfs/dbraw/zinc/15/76/18/986157618.db2.gz	DUGPCKOAFDFBFV-IVZWLZJFSA-N	-1	0	303.322	0.275	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001589329081	986161340	/nfs/dbraw/zinc/16/13/40/986161340.db2.gz	ILPKKZZTSSBDDO-NXEZZACHSA-N	-1	0	303.322	0.419	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@@H](Nc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001589329170	986162464	/nfs/dbraw/zinc/16/24/64/986162464.db2.gz	KTYGQLSPFZKVHN-PSASIEDQSA-N	-1	0	303.322	0.063	20	30		DCEDRM
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC(C)(C)C(=O)[O-]	ZINC001589336186	986219537	/nfs/dbraw/zinc/21/95/37/986219537.db2.gz	XJFPBUWNEGLCOL-SECBINFHSA-N	-1	0	319.317	0.895	20	30		DCEDRM
C[C@H](C(=O)N(C)CCC#N)N1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001589339881	986242703	/nfs/dbraw/zinc/24/27/03/986242703.db2.gz	LWDSDUVBQPZPCT-SECBINFHSA-N	-1	0	305.338	0.227	20	30		DCEDRM
C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@](O)(CC#N)C1	ZINC001589350725	986311489	/nfs/dbraw/zinc/31/14/89/986311489.db2.gz	SLODPAYSYWVBGG-NHYWBVRUSA-N	-1	0	309.366	0.049	20	30		DCEDRM
CCc1nc(C#N)cc(NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1	ZINC001597646510	988666780	/nfs/dbraw/zinc/66/67/80/988666780.db2.gz	AHOZPEFCCFISEY-VHSXEESVSA-N	-1	0	303.322	0.159	20	30		DCEDRM
CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(CC#Cc2ccccc2)C1	ZINC001597998621	990127138	/nfs/dbraw/zinc/12/71/38/990127138.db2.gz	QUAUFTBBVLQKSS-HZPDHXFCSA-N	-1	0	312.369	0.901	20	30		DCEDRM
CC(C)C#CC(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)[O-]	ZINC001590927131	990931116	/nfs/dbraw/zinc/93/11/16/990931116.db2.gz	SHRPQTQEAGONPQ-MNOVXSKESA-N	-1	0	312.391	0.527	20	30		DCEDRM
CC(C)C#CC(=O)N1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001590927158	990931490	/nfs/dbraw/zinc/93/14/90/990931490.db2.gz	TXIJCNYIICJACZ-STQMWFEESA-N	-1	0	306.362	0.427	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CC1	ZINC001590952844	991017099	/nfs/dbraw/zinc/01/70/99/991017099.db2.gz	LKSAEYIZCYHUEZ-ZFWWWQNUSA-N	-1	0	324.425	0.378	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001590961687	991060251	/nfs/dbraw/zinc/06/02/51/991060251.db2.gz	WFFDFUYQJDMQLD-OAHLLOKOSA-N	-1	0	319.365	0.520	20	30		DCEDRM
CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC001598364655	991509125	/nfs/dbraw/zinc/50/91/25/991509125.db2.gz	ORUGQWJMFHCUGN-LLVKDONJSA-N	-1	0	316.360	0.749	20	30		DCEDRM
C[S@@](=N)(=O)N1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC001599742348	991877558	/nfs/dbraw/zinc/87/75/58/991877558.db2.gz	HCXQXHCTBWYWCZ-XMHCIUCPSA-N	-1	0	322.390	0.893	20	30		DCEDRM
CS(=O)(=O)C[C@@H]1CCCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001599749600	991972854	/nfs/dbraw/zinc/97/28/54/991972854.db2.gz	TVEVRLFKRAEBIO-SNVBAGLBSA-N	-1	0	323.374	0.912	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC001598469011	991995664	/nfs/dbraw/zinc/99/56/64/991995664.db2.gz	PSNZNVFIRSLTGH-PWSUYJOCSA-N	-1	0	301.368	0.406	20	30		DCEDRM
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001598469192	991997517	/nfs/dbraw/zinc/99/75/17/991997517.db2.gz	YLTBXAFBVXUANK-AWEZNQCLSA-N	-1	0	308.338	0.054	20	30		DCEDRM
CN(CCC#N)C[C@@H](O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC001598469146	991997869	/nfs/dbraw/zinc/99/78/69/991997869.db2.gz	UARQIHGHUCIKPH-LLVKDONJSA-N	-1	0	323.305	0.878	20	30		DCEDRM
CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ncc(C#N)cc1Cl	ZINC001598490233	992277935	/nfs/dbraw/zinc/27/79/35/992277935.db2.gz	GAOOOEFKVHKCEG-VHSXEESVSA-N	-1	0	322.752	0.880	20	30		DCEDRM
C=C(Cl)CN1CC[C@@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001393126202	992705537	/nfs/dbraw/zinc/70/55/37/992705537.db2.gz	RODQGEXHHOPJDE-GFCCVEGCSA-N	-1	0	315.761	0.022	20	30		DCEDRM
CN(CC1CN(C)C1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598566549	993151858	/nfs/dbraw/zinc/15/18/58/993151858.db2.gz	HHITUHTYBWERAV-UHFFFAOYSA-N	-1	0	323.374	0.439	20	30		DCEDRM
CN1CC[C@@H](C(=O)OCc2cccc(C(=O)[O-])c2C#N)C1=O	ZINC001598578110	993305669	/nfs/dbraw/zinc/30/56/69/993305669.db2.gz	MHXHQINEBGBVAI-LLVKDONJSA-N	-1	0	302.286	0.778	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)/C=C\c1ccccc1C#N	ZINC001598692176	995082468	/nfs/dbraw/zinc/08/24/68/995082468.db2.gz	BAGJVDWHXUJWSU-ZHRWSRJISA-N	-1	0	302.286	0.704	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)C(F)(F)F)nc1	ZINC001464537951	1015921711	/nfs/dbraw/zinc/92/17/11/1015921711.db2.gz	FPEDRSUFEOUFOV-QMMMGPOBSA-N	-1	0	309.269	0.545	20	30		DCEDRM
C[C@H](OC(=O)Cc1ccc(C#N)nc1)c1cn(CC(=O)[O-])nn1	ZINC001593535020	995592876	/nfs/dbraw/zinc/59/28/76/995592876.db2.gz	LILJHXDVKCMRAW-VIFPVBQESA-N	-1	0	315.289	0.476	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccncc1C#N	ZINC001598769693	995872385	/nfs/dbraw/zinc/87/23/85/995872385.db2.gz	CJQXIVNTKRSPNR-DGCLKSJQSA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C#N)c(C)n1	ZINC001599192025	997140310	/nfs/dbraw/zinc/14/03/10/997140310.db2.gz	FKAGBAPGVVCLQZ-HNNXBMFYSA-N	-1	0	303.318	0.968	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN1CC(=O)N[C@](C)(C#N)C1CC1	ZINC001599193499	997171685	/nfs/dbraw/zinc/17/16/85/997171685.db2.gz	PCJNSFPKZUFBIX-CABCVRRESA-N	-1	0	309.366	0.360	20	30		DCEDRM
CC1(C)OCC(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CO1	ZINC001593977607	997177068	/nfs/dbraw/zinc/17/70/68/997177068.db2.gz	QQYBHLNFEKPZRP-UHFFFAOYSA-N	-1	0	311.338	0.538	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1	ZINC001502906671	1016129994	/nfs/dbraw/zinc/12/99/94/1016129994.db2.gz	PRANZBVHNYOZRG-QWRGUYRKSA-N	-1	0	309.370	0.182	20	30		DCEDRM
COCCC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCN(CC#N)CC1	ZINC001599220300	997655283	/nfs/dbraw/zinc/65/52/83/997655283.db2.gz	XSXDKTJYKCGFBA-NEPJUHHUSA-N	-1	0	309.366	0.218	20	30		DCEDRM
COc1c(F)cc(C(=O)N(CC#N)CCC(=O)[O-])c(N)c1F	ZINC001599335188	997822016	/nfs/dbraw/zinc/82/20/16/997822016.db2.gz	YHGLUYGELARIJN-UHFFFAOYSA-N	-1	0	313.260	0.996	20	30		DCEDRM
COCCN(CC#N)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001599231336	997862474	/nfs/dbraw/zinc/86/24/74/997862474.db2.gz	RBHUPMYRCDYXTN-UHFFFAOYSA-N	-1	0	307.262	0.905	20	30		DCEDRM
COc1cc(NC(=O)N[C@@H]2CCCN(O)C2=O)ccc1C(=O)[O-]	ZINC001599438926	997899899	/nfs/dbraw/zinc/89/98/99/997899899.db2.gz	SUEOSHIEDSACHO-SNVBAGLBSA-N	-1	0	323.305	0.895	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N[C@H]1CC[C@H]1C(=O)[O-]	ZINC001599347973	998043108	/nfs/dbraw/zinc/04/31/08/998043108.db2.gz	NVCGBQDXORGZGI-MNOVXSKESA-N	-1	0	304.302	0.925	20	30		DCEDRM
COCCNC(=O)[C@@H](C#N)C(=O)Cc1cccc(C(=O)[O-])c1	ZINC001599241415	998050551	/nfs/dbraw/zinc/05/05/51/998050551.db2.gz	FPANORYJLYMCEL-LBPRGKRZSA-N	-1	0	304.302	0.399	20	30		DCEDRM
COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](O)C(=O)[O-]	ZINC001599350545	998086049	/nfs/dbraw/zinc/08/60/49/998086049.db2.gz	YCVWEIRPKCDJSK-NSHDSACASA-N	-1	0	322.317	0.288	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C#N)cc1	ZINC001594139607	998425003	/nfs/dbraw/zinc/42/50/03/998425003.db2.gz	BVUOKHOZDWWBSO-GXFFZTMASA-N	-1	0	315.329	0.496	20	30		DCEDRM
COC[C@@H](NC(=O)COc1ccc(C#N)cc1OC)C(=O)[O-]	ZINC001599168424	998577362	/nfs/dbraw/zinc/57/73/62/998577362.db2.gz	ALBMCPNVPUWPCQ-SNVBAGLBSA-N	-1	0	308.290	0.161	20	30		DCEDRM
COC(=O)c1cccc([C@@H](C(=O)[O-])N2CCO[C@H](C#N)C2)c1	ZINC001598998611	998803297	/nfs/dbraw/zinc/80/32/97/998803297.db2.gz	QTTIJFJSPAJKOT-OLZOCXBDSA-N	-1	0	304.302	0.823	20	30		DCEDRM
CCOC(=O)[C@@H](F)C1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001468439614	1016254508	/nfs/dbraw/zinc/25/45/08/1016254508.db2.gz	IBCPQUABAZBJRD-NSHDSACASA-N	-1	0	321.308	0.941	20	30		DCEDRM
COC(CN(CCC(=O)[O-])C(=O)c1cc(C#N)cn1C)OC	ZINC001599045353	999147152	/nfs/dbraw/zinc/14/71/52/999147152.db2.gz	JLEGBFUKZGGKND-UHFFFAOYSA-N	-1	0	309.322	0.433	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CNS(=O)(=O)c1ccc(F)cc1	ZINC001469743147	1016362031	/nfs/dbraw/zinc/36/20/31/1016362031.db2.gz	QOHUNWIHRVHXCD-UHFFFAOYSA-N	-1	0	302.327	0.728	20	30		DCEDRM
CCOC(=O)[C@@]1(C)CCC[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421207220	1003443223	/nfs/dbraw/zinc/44/32/23/1003443223.db2.gz	WANIMUMXVHPMKK-BMIGLBTASA-N	-1	0	320.349	0.479	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H](C)C#N)c1[O-]	ZINC001514345960	1016945700	/nfs/dbraw/zinc/94/57/00/1016945700.db2.gz	HOWPNFWUKRBUOT-FBIMIBRVSA-N	-1	0	319.365	0.741	20	30		DCEDRM
CCN(Cc1ccoc1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417630335	1005855241	/nfs/dbraw/zinc/85/52/41/1005855241.db2.gz	PCMNFRHNINHSAJ-UHFFFAOYSA-N	-1	0	316.317	0.852	20	30		DCEDRM
N#Cc1ccccc1C(F)(F)C(=O)NCCc1nc(=O)o[n-]1	ZINC001417731009	1005877858	/nfs/dbraw/zinc/87/78/58/1005877858.db2.gz	QBKQFFBVVMGJNG-UHFFFAOYSA-N	-1	0	308.244	0.685	20	30		DCEDRM
CCC(CC)(CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)OC	ZINC001417885012	1005914843	/nfs/dbraw/zinc/91/48/43/1005914843.db2.gz	CIOWZRQGNXTMJY-UHFFFAOYSA-N	-1	0	322.365	0.532	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC(C)(C)CN1CCOCC1	ZINC001451467420	1006190958	/nfs/dbraw/zinc/19/09/58/1006190958.db2.gz	ONCMFPUFJXTNDT-UHFFFAOYSA-N	-1	0	318.377	0.808	20	30		DCEDRM
CN(CCCN(C)C(=O)c1ccc(C#N)[nH]1)Cc1n[nH]c(=O)[n-]1	ZINC001440437710	1007767550	/nfs/dbraw/zinc/76/75/50/1007767550.db2.gz	UTIZWFIIKNGVGR-UHFFFAOYSA-N	-1	0	317.353	0.304	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)NC2(CC(=O)[O-])COC2)c1	ZINC001574249172	1163674923	/nfs/dbraw/zinc/67/49/23/1163674923.db2.gz	GGVHIQZCOPBFRT-UHFFFAOYSA-N	-1	0	310.331	0.221	20	30		DCEDRM
CCOc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001433590293	1008974079	/nfs/dbraw/zinc/97/40/79/1008974079.db2.gz	KXXCMNOBGYOHKR-UHFFFAOYSA-N	-1	0	314.301	0.858	20	30		DCEDRM
COCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nnn[n-]1	ZINC001433656750	1009034413	/nfs/dbraw/zinc/03/44/13/1009034413.db2.gz	QOUKKXHKEODFAU-UHFFFAOYSA-N	-1	0	314.349	0.679	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)cc1	ZINC001433719165	1009115324	/nfs/dbraw/zinc/11/53/24/1009115324.db2.gz	QJVQPGJSGMBYBH-UHFFFAOYSA-N	-1	0	301.306	0.658	20	30		DCEDRM
C[C@@H]1N(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCOC1(C)C	ZINC001433789527	1009180325	/nfs/dbraw/zinc/18/03/25/1009180325.db2.gz	JIDDTAFQQLFPKH-JTQLQIEISA-N	-1	0	320.349	0.237	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)COc2ccc(F)cc2)c1=O	ZINC001434452516	1009968570	/nfs/dbraw/zinc/96/85/70/1009968570.db2.gz	ALJJHPAOEGETGP-UHFFFAOYSA-N	-1	0	303.249	0.195	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)Cc2ccccc2Cl)c1=O	ZINC001434453132	1009968635	/nfs/dbraw/zinc/96/86/35/1009968635.db2.gz	IIIXTPURFHKDGW-UHFFFAOYSA-N	-1	0	303.705	0.873	20	30		DCEDRM
Cc1ccc(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)cc1F	ZINC001434454091	1009971394	/nfs/dbraw/zinc/97/13/94/1009971394.db2.gz	OSXXBQXHFQEUHF-UHFFFAOYSA-N	-1	0	302.265	0.495	20	30		DCEDRM
C#Cc1ccc(C(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)nc1	ZINC001456242679	1010144424	/nfs/dbraw/zinc/14/44/24/1010144424.db2.gz	SCUXNPCKTIPDQE-UHFFFAOYSA-N	-1	0	312.329	0.887	20	30		DCEDRM
C[C@@H]1CCCC[C@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434762729	1010248356	/nfs/dbraw/zinc/24/83/56/1010248356.db2.gz	TYKIQPCWENUYSA-ZYHUDNBSSA-N	-1	0	319.365	0.698	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)CCCOc1ccc(C#N)cc1OC	ZINC001538747578	1012425488	/nfs/dbraw/zinc/42/54/88/1012425488.db2.gz	QLEZBABCSHNTTR-UHFFFAOYSA-N	-1	0	321.333	0.520	20	30		DCEDRM
N#CC1(NC(=O)CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)CCC1	ZINC001559799090	1012426886	/nfs/dbraw/zinc/42/68/86/1012426886.db2.gz	MOXLBCHXHRKGOH-SNVBAGLBSA-N	-1	0	305.338	0.517	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@](C)(NC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001432588115	1012649021	/nfs/dbraw/zinc/64/90/21/1012649021.db2.gz	VLDAHKOTMFMRNZ-RTHLEPHNSA-N	-1	0	305.338	0.304	20	30		DCEDRM
C[C@@H]1NC(=O)[C@H](C)N(Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@H]1C	ZINC001460331357	1012894207	/nfs/dbraw/zinc/89/42/07/1012894207.db2.gz	HROWCIVWTVGSIF-GUBZILKMSA-N	-1	0	314.349	0.404	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@](C)(CNC(=O)[C@H](C)C#N)C2CC2)c1[O-]	ZINC001432857298	1012959919	/nfs/dbraw/zinc/95/99/19/1012959919.db2.gz	CZTDHLJDDWTRLE-ANRSDYALSA-N	-1	0	319.365	0.598	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC001432908528	1012991347	/nfs/dbraw/zinc/99/13/47/1012991347.db2.gz	LBMKPGTWPTYAAV-LSJOCFKGSA-N	-1	0	319.365	0.741	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(CN2C(=O)CCC2=O)cc1	ZINC001516659645	1017152205	/nfs/dbraw/zinc/15/22/05/1017152205.db2.gz	USNVADFUKRHZJN-GFCCVEGCSA-N	-1	0	313.313	0.404	20	30		DCEDRM
C=CCCCC(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001509050689	1017163529	/nfs/dbraw/zinc/16/35/29/1017163529.db2.gz	JZAFNUHNNHHMKI-VIFPVBQESA-N	-1	0	323.353	0.216	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H]2CNC(=O)[C@H](C)C#N)c1[O-]	ZINC001497161850	1017928104	/nfs/dbraw/zinc/92/81/04/1017928104.db2.gz	YCNVJMUHRWOJBZ-SCZZXKLOSA-N	-1	0	305.338	0.304	20	30		DCEDRM
C=CCOCC(=O)NC[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001500134421	1018245720	/nfs/dbraw/zinc/24/57/20/1018245720.db2.gz	UTDMLHCKENXSQY-SECBINFHSA-N	-1	0	310.354	0.108	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)OCC	ZINC001498985542	1019616328	/nfs/dbraw/zinc/61/63/28/1019616328.db2.gz	JBUXXDQGNIADKR-VXGBXAGGSA-N	-1	0	323.397	0.572	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)N2CCCc3ccccc32)c1=O	ZINC000566914439	291329031	/nfs/dbraw/zinc/32/90/31/291329031.db2.gz	QWIYHNGNCFKDSZ-UHFFFAOYSA-N	-1	0	310.313	0.388	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cn1	ZINC000275296054	212254329	/nfs/dbraw/zinc/25/43/29/212254329.db2.gz	PXIXTPOBGRFBDQ-QMMMGPOBSA-N	-1	0	323.252	0.637	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1c(OC)cccc1OC	ZINC000275281288	212246574	/nfs/dbraw/zinc/24/65/74/212246574.db2.gz	LBGZBPJDMSGALA-UHFFFAOYSA-N	-1	0	315.347	0.965	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000274992013	212061829	/nfs/dbraw/zinc/06/18/29/212061829.db2.gz	KVPWMKDDSIITST-LBPRGKRZSA-N	-1	0	310.331	0.659	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-]	ZINC000274924157	212035761	/nfs/dbraw/zinc/03/57/61/212035761.db2.gz	BHOQZXLYSOYSEQ-VIFPVBQESA-N	-1	0	302.739	0.880	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F)cn1	ZINC000572522437	291573372	/nfs/dbraw/zinc/57/33/72/291573372.db2.gz	JKLKVZIHDNSMDB-SSDOTTSWSA-N	-1	0	319.289	0.588	20	30		DCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000340452301	253256992	/nfs/dbraw/zinc/25/69/92/253256992.db2.gz	ZMGICWCKLBHHAU-SSDOTTSWSA-N	-1	0	313.291	0.608	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000269603038	533182400	/nfs/dbraw/zinc/18/24/00/533182400.db2.gz	PGFFSMGXLRUJNO-AWEZNQCLSA-N	-1	0	317.305	0.403	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc3c(c2)OCC(=O)N3)[n-]c1C#N	ZINC000026268414	395694215	/nfs/dbraw/zinc/69/42/15/395694215.db2.gz	LNVRUZARFTXNQC-UHFFFAOYSA-N	-1	0	308.257	0.736	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1C(N)=O	ZINC000028196949	395695834	/nfs/dbraw/zinc/69/58/34/395695834.db2.gz	LLJKRQSFIJOPNI-UHFFFAOYSA-N	-1	0	304.331	0.796	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000043702938	395754083	/nfs/dbraw/zinc/75/40/83/395754083.db2.gz	NPYFFWHJSRMIIT-GFCCVEGCSA-N	-1	0	310.331	0.173	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1c(C)nn(CC)c1C)C(=O)[O-]	ZINC000274874144	395983737	/nfs/dbraw/zinc/98/37/37/395983737.db2.gz	BHCGGCZGVJAYKC-JTQLQIEISA-N	-1	0	301.368	0.827	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1F	ZINC000071238748	396110792	/nfs/dbraw/zinc/11/07/92/396110792.db2.gz	FCWUQQMCGRBYDN-NSHDSACASA-N	-1	0	314.294	0.171	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)CCO1	ZINC000264375777	396275493	/nfs/dbraw/zinc/27/54/93/396275493.db2.gz	KGLMKGJDNZXMQZ-SECBINFHSA-N	-1	0	316.342	0.989	20	30		DCEDRM
CC(C)Cn1cnc(S(=O)(=O)[N-]c2c(C#N)cnn2C)c1	ZINC000187730285	396373727	/nfs/dbraw/zinc/37/37/27/396373727.db2.gz	NGMWZCQFKOTGLD-UHFFFAOYSA-N	-1	0	308.367	0.945	20	30		DCEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccn(C(C)(C)C(=O)OC)n1	ZINC000594698478	396497964	/nfs/dbraw/zinc/49/79/64/396497964.db2.gz	AHAFCTUZJAWHLC-SECBINFHSA-N	-1	0	314.367	0.835	20	30		DCEDRM
COC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000594730061	396502774	/nfs/dbraw/zinc/50/27/74/396502774.db2.gz	OBHOFOCQXVEMOV-UHFFFAOYSA-N	-1	0	324.318	0.781	20	30		DCEDRM
CCOC[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000290703706	396470521	/nfs/dbraw/zinc/47/05/21/396470521.db2.gz	SMTWEQRVBXYIJA-NSHDSACASA-N	-1	0	316.310	0.465	20	30		DCEDRM
CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000290744899	396471575	/nfs/dbraw/zinc/47/15/75/396471575.db2.gz	XOYJJFHHKMROLO-NWDGAFQWSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)C(=O)[O-]	ZINC000594529650	396484662	/nfs/dbraw/zinc/48/46/62/396484662.db2.gz	SYUBDJBIBXXVED-LLVKDONJSA-N	-1	0	317.349	0.506	20	30		DCEDRM
N#Cc1ccc(NC2CC2)c(NC(=O)c2n[nH]c(=O)[n-]c2=O)c1	ZINC000586819371	396667734	/nfs/dbraw/zinc/66/77/34/396667734.db2.gz	PAHDYXUYVISQTK-UHFFFAOYSA-N	-1	0	312.289	0.981	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000595988772	396703972	/nfs/dbraw/zinc/70/39/72/396703972.db2.gz	KARDTKXMQOIWHV-HNNXBMFYSA-N	-1	0	318.333	0.092	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)c1	ZINC000563430221	396732621	/nfs/dbraw/zinc/73/26/21/396732621.db2.gz	DJHKTJVZSVATOO-DGCLKSJQSA-N	-1	0	324.358	0.404	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc1F	ZINC000589974535	396733125	/nfs/dbraw/zinc/73/31/25/396733125.db2.gz	XTDGWKBFXQKQHK-GFCCVEGCSA-N	-1	0	314.294	0.219	20	30		DCEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(-c2nnnn2C)cc1	ZINC000600661553	396908224	/nfs/dbraw/zinc/90/82/24/396908224.db2.gz	WKIKPADZGAXTHC-LLVKDONJSA-N	-1	0	306.351	0.921	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC000600660325	396908928	/nfs/dbraw/zinc/90/89/28/396908928.db2.gz	REDZCFYVEFTIRX-HTQZYQBOSA-N	-1	0	311.310	0.259	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C#N)CC[C@H]1C(=O)[O-]	ZINC000600798035	396944087	/nfs/dbraw/zinc/94/40/87/396944087.db2.gz	PGLNWPQREWHICK-WDEREUQCSA-N	-1	0	309.366	0.564	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(C#N)CC2)CC[C@@H]1C(=O)[O-]	ZINC000600800990	396944970	/nfs/dbraw/zinc/94/49/70/396944970.db2.gz	PFUWXWIXJDNRFD-NEPJUHHUSA-N	-1	0	321.377	0.708	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCCCC#N)C1	ZINC000591744804	396995839	/nfs/dbraw/zinc/99/58/39/396995839.db2.gz	NEWBHPNEKRZUSC-GFCCVEGCSA-N	-1	0	304.368	0.433	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000344554645	397004856	/nfs/dbraw/zinc/00/48/56/397004856.db2.gz	QTOZQALKAUYGJX-CMPLNLGQSA-N	-1	0	301.368	0.263	20	30		DCEDRM
N#CCC1(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1	ZINC000597611532	397031364	/nfs/dbraw/zinc/03/13/64/397031364.db2.gz	QTDVXFHZPLMYCP-UHFFFAOYSA-N	-1	0	309.347	0.463	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)ccc1F	ZINC000377401670	397078356	/nfs/dbraw/zinc/07/83/56/397078356.db2.gz	SSOVBXFQFHYSPS-LLVKDONJSA-N	-1	0	302.269	0.424	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCCC2)s1	ZINC000619548421	397147931	/nfs/dbraw/zinc/14/79/31/397147931.db2.gz	DCZLKRHSIQNBCE-UHFFFAOYSA-N	-1	0	313.404	0.957	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H](CO)[C@H]2CCOC2)s1	ZINC000619548641	397148274	/nfs/dbraw/zinc/14/82/74/397148274.db2.gz	HWJCWJRGPFREIH-UWVGGRQHSA-N	-1	0	316.404	0.543	20	30		DCEDRM
C[C@H](CSCCNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000592450140	397182008	/nfs/dbraw/zinc/18/20/08/397182008.db2.gz	MLHIHJBGUVQSIV-MRVPVSSYSA-N	-1	0	318.376	0.883	20	30		DCEDRM
C[C@@H](CSCCNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000592450142	397182058	/nfs/dbraw/zinc/18/20/58/397182058.db2.gz	MLHIHJBGUVQSIV-QMMMGPOBSA-N	-1	0	318.376	0.883	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CC[C@](O)(CC#N)C2)c1	ZINC000592852654	397266339	/nfs/dbraw/zinc/26/63/39/397266339.db2.gz	DLSQDNJVLWPHMH-QRQCRPRQSA-N	-1	0	322.386	0.680	20	30		DCEDRM
CC(C)CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC000602051735	397291237	/nfs/dbraw/zinc/29/12/37/397291237.db2.gz	JBAFYDAMZPONJL-UHFFFAOYSA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@H](c3ccccc3)C2)c(=O)[n-]c1=O	ZINC000602087623	397297050	/nfs/dbraw/zinc/29/70/50/397297050.db2.gz	YNCOXVGLJVRIAL-ZDUSSCGKSA-N	-1	0	324.340	0.837	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC(C3CCCC3)C2)c(=O)[n-]c1=O	ZINC000602141463	397318817	/nfs/dbraw/zinc/31/88/17/397318817.db2.gz	JYBLTBDMDXFUMS-UHFFFAOYSA-N	-1	0	302.334	0.469	20	30		DCEDRM
CC1(C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C1CC1	ZINC000602153702	397324632	/nfs/dbraw/zinc/32/46/32/397324632.db2.gz	OUMQNEKCMKRPKR-LBPRGKRZSA-N	-1	0	302.334	0.468	20	30		DCEDRM
CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1	ZINC000578898225	397501159	/nfs/dbraw/zinc/50/11/59/397501159.db2.gz	RDURJSFFPLWTRO-CMPLNLGQSA-N	-1	0	303.384	0.509	20	30		DCEDRM
COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)CCCC#N)cn1	ZINC000492673806	397523554	/nfs/dbraw/zinc/52/35/54/397523554.db2.gz	FALVOEKJNCLANG-PLNGDYQASA-N	-1	0	310.335	0.248	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2cncc(F)c2)CC1	ZINC000492999426	397525643	/nfs/dbraw/zinc/52/56/43/397525643.db2.gz	RTNPIDJFMDXQDV-OWOJBTEDSA-N	-1	0	309.322	0.984	20	30		DCEDRM
C=CCOC[C@H](NC(=O)/C=C/c1cncc(OC)c1)C(=O)[O-]	ZINC000493029674	397525672	/nfs/dbraw/zinc/52/56/72/397525672.db2.gz	WOTGONQFNCJFCY-IHVVCDCBSA-N	-1	0	306.318	0.875	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc2c(c1)OCO2	ZINC000493385633	397526946	/nfs/dbraw/zinc/52/69/46/397526946.db2.gz	KNIYVMGKMGDASE-FNORWQNLSA-N	-1	0	307.327	0.898	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])nn1	ZINC000579130656	397528551	/nfs/dbraw/zinc/52/85/51/397528551.db2.gz	QUWXXXKBPBIYBJ-PWSUYJOCSA-N	-1	0	308.338	0.558	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1c(C)nn(C)c1Cl	ZINC000493736269	397528558	/nfs/dbraw/zinc/52/85/58/397528558.db2.gz	DXEIFVNZYCXKDH-VOTSOKGWSA-N	-1	0	315.782	0.864	20	30		DCEDRM
COCC[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000261988275	158761450	/nfs/dbraw/zinc/76/14/50/158761450.db2.gz	SONGYDXWRINOTF-JQWIXIFHSA-N	-1	0	306.318	0.931	20	30		DCEDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@H]1C#N	ZINC000273854284	415321354	/nfs/dbraw/zinc/32/13/54/415321354.db2.gz	YODQNXYNDBWYGI-MRVPVSSYSA-N	-1	0	300.292	0.199	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cn1C	ZINC000343549928	415635763	/nfs/dbraw/zinc/63/57/63/415635763.db2.gz	MKELSJYOSALNHN-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
CCOC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)C1	ZINC000287297107	415652343	/nfs/dbraw/zinc/65/23/43/415652343.db2.gz	JJYVDHIHLJXINI-VIFPVBQESA-N	-1	0	313.335	0.660	20	30		DCEDRM
C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])n1cnc(C#N)n1	ZINC000343635226	415663300	/nfs/dbraw/zinc/66/33/00/415663300.db2.gz	PBIZIGJOFQAMPH-ZETCQYMHSA-N	-1	0	302.250	0.963	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1	ZINC000291147778	415829513	/nfs/dbraw/zinc/82/95/13/415829513.db2.gz	ZBCYGJZPUPBJJU-PMDBQALLSA-N	-1	0	302.330	0.894	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O	ZINC000291041326	415830225	/nfs/dbraw/zinc/83/02/25/415830225.db2.gz	GNUCFVBTAOCNNE-BDJLRTHQSA-N	-1	0	321.377	0.804	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CC(C(=O)OCC)=NN1c1ccccc1	ZINC000291307706	415830668	/nfs/dbraw/zinc/83/06/68/415830668.db2.gz	RJBLAPIEXHLGTM-CQSZACIVSA-N	-1	0	315.329	0.865	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1	ZINC000290483226	415812037	/nfs/dbraw/zinc/81/20/37/415812037.db2.gz	GEUBZOUBACWLNW-MRVPVSSYSA-N	-1	0	323.252	0.637	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2C[C@H](CO)OC[C@@H]2C)cc1C#N	ZINC000344214269	415865223	/nfs/dbraw/zinc/86/52/23/415865223.db2.gz	LGRMLLOIODYJQO-WCBMZHEXSA-N	-1	0	323.374	0.603	20	30		DCEDRM
C[C@H](CN1CCCC1=O)NC(=O)c1cccn2c([O-])nnc12	ZINC000329350878	416165102	/nfs/dbraw/zinc/16/51/02/416165102.db2.gz	TYDMXNPHFAIRPP-SECBINFHSA-N	-1	0	303.322	0.750	20	30		DCEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)C(=O)[O-])c1	ZINC000263317689	416337753	/nfs/dbraw/zinc/33/77/53/416337753.db2.gz	QREQFYSXNHPHKZ-JTQLQIEISA-N	-1	0	324.358	0.143	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2ccc(C#N)cn2)C1=O	ZINC000416445663	416370127	/nfs/dbraw/zinc/37/01/27/416370127.db2.gz	MIJRZYDLZLNOAX-AAEUAGOBSA-N	-1	0	302.334	1.075	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cc1F	ZINC000422662160	416446539	/nfs/dbraw/zinc/44/65/39/416446539.db2.gz	NBBZGQWPFGAVPI-NSHDSACASA-N	-1	0	305.265	0.711	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)s2)c1C(N)=O	ZINC000435474203	416523972	/nfs/dbraw/zinc/52/39/72/416523972.db2.gz	MORCTIDNTKKOQG-UHFFFAOYSA-N	-1	0	311.348	0.551	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000491736100	416620513	/nfs/dbraw/zinc/62/05/13/416620513.db2.gz	GJEYEAAWOPYRRR-VIFPVBQESA-N	-1	0	322.390	0.057	20	30		DCEDRM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)o1	ZINC000443420295	416757788	/nfs/dbraw/zinc/75/77/88/416757788.db2.gz	UAAOOBGBIVKKDP-UHFFFAOYSA-N	-1	0	324.318	0.862	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N(CC(=O)[O-])C1CCCC1	ZINC000566313646	417047088	/nfs/dbraw/zinc/04/70/88/417047088.db2.gz	LFVDUXKABUSUJM-SNVBAGLBSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000643180137	417160561	/nfs/dbraw/zinc/16/05/61/417160561.db2.gz	ZDJLYKDXVGFIQJ-UHFFFAOYSA-N	-1	0	320.345	0.662	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000529103032	417418604	/nfs/dbraw/zinc/41/86/04/417418604.db2.gz	BWRCMXIPCLBFQI-IJLUTSLNSA-N	-1	0	317.407	0.981	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(C)(C)[C@@H]1C(=O)[O-]	ZINC000574576727	417486332	/nfs/dbraw/zinc/48/63/32/417486332.db2.gz	QMNKAJSYRZSRNG-UWVGGRQHSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C=CCOCCCNC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000635519124	417686384	/nfs/dbraw/zinc/68/63/84/417686384.db2.gz	KROXCLYVXCWBSQ-CQSZACIVSA-N	-1	0	300.355	0.712	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-]	ZINC000646046941	417863144	/nfs/dbraw/zinc/86/31/44/417863144.db2.gz	LVHPIIRYDZANFM-SECBINFHSA-N	-1	0	317.367	0.467	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000647505266	418016217	/nfs/dbraw/zinc/01/62/17/418016217.db2.gz	OBOOABNVAHXOSL-NEPJUHHUSA-N	-1	0	312.366	0.217	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000649193342	418208288	/nfs/dbraw/zinc/20/82/88/418208288.db2.gz	CHBHWRRLCJKFTH-NSHDSACASA-N	-1	0	310.375	0.562	20	30		DCEDRM
C=CCn1cc(C(=O)N2CCC[C@](COC)(C(=O)[O-])C2)nn1	ZINC000649250286	418214722	/nfs/dbraw/zinc/21/47/22/418214722.db2.gz	YPADJTDZLKUKDL-AWEZNQCLSA-N	-1	0	308.338	0.418	20	30		DCEDRM
C=CCC[C@H](NC(=O)NC[C@H](OC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000656583524	418364841	/nfs/dbraw/zinc/36/48/41/418364841.db2.gz	DJRYOJWWRFTGFU-WOPDTQHZSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCOCCCNC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000656595392	418365367	/nfs/dbraw/zinc/36/53/67/418365367.db2.gz	IZMLOXGMFGZSPZ-NWDGAFQWSA-N	-1	0	300.355	0.758	20	30		DCEDRM
Cn1[n-]nnc1=N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000521013677	268108981	/nfs/dbraw/zinc/10/89/81/268108981.db2.gz	SSKFOMSHHOFLAU-LLVKDONJSA-N	-1	0	301.329	0.724	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)c1	ZINC000563430223	288673886	/nfs/dbraw/zinc/67/38/86/288673886.db2.gz	DJHKTJVZSVATOO-YPMHNXCESA-N	-1	0	324.358	0.404	20	30		DCEDRM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCOC[C@H]1C#N	ZINC000273755700	301156490	/nfs/dbraw/zinc/15/64/90/301156490.db2.gz	QEEKYIZTZOSYRP-LLVKDONJSA-N	-1	0	310.331	0.606	20	30		DCEDRM
N#CC1(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CCOCC1	ZINC000262390751	303140759	/nfs/dbraw/zinc/14/07/59/303140759.db2.gz	MWOKOCXQNTVCKU-XHDPSFHLSA-N	-1	0	308.334	0.256	20	30		DCEDRM
C=CCCCS(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000569534030	332127851	/nfs/dbraw/zinc/12/78/51/332127851.db2.gz	QYJNCUZCDUDIPQ-GFCCVEGCSA-N	-1	0	315.395	0.549	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1C#N	ZINC000584293376	332221337	/nfs/dbraw/zinc/22/13/37/332221337.db2.gz	GHSNCAOXCPYSEV-VIFPVBQESA-N	-1	0	316.321	0.627	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C)CCCC(=O)[O-]	ZINC000569815074	332682202	/nfs/dbraw/zinc/68/22/02/332682202.db2.gz	OFSRFABSWABMEE-WDEREUQCSA-N	-1	0	305.400	0.946	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000570284142	332735345	/nfs/dbraw/zinc/73/53/45/332735345.db2.gz	CQOYHWXHJYYQGF-ZDUSSCGKSA-N	-1	0	306.343	0.844	20	30		DCEDRM
CC[C@@H](CCNS(=O)(=O)N(CCC#N)CCOC)C(=O)[O-]	ZINC000563224744	333487692	/nfs/dbraw/zinc/48/76/92/333487692.db2.gz	DKUADVZKKVMDLJ-NSHDSACASA-N	-1	0	321.399	0.184	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-]	ZINC000571527365	333814126	/nfs/dbraw/zinc/81/41/26/333814126.db2.gz	JINQRQWGXICSKB-HLTSFMKQSA-N	-1	0	307.397	0.171	20	30		DCEDRM
Cc1nc2n(n1)C[C@H](/N=C(/[O-])Nc1c(C)ccn(C)c1=O)CC2	ZINC000329867742	336090778	/nfs/dbraw/zinc/09/07/78/336090778.db2.gz	WLTSJWXZNYRSJV-LLVKDONJSA-N	-1	0	316.365	0.935	20	30		DCEDRM
Cn1ncc(NS(=O)(=O)CCC(C)(C)C#N)c1C(=O)[O-]	ZINC000514606121	336385753	/nfs/dbraw/zinc/38/57/53/336385753.db2.gz	RIHSEXOLQWMYOC-UHFFFAOYSA-N	-1	0	300.340	0.800	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@@]1(C)C(=O)[O-]	ZINC000583266745	337296404	/nfs/dbraw/zinc/29/64/04/337296404.db2.gz	VEADTOTVQTWXDR-JQWIXIFHSA-N	-1	0	303.384	0.794	20	30		DCEDRM
CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000584414142	337321966	/nfs/dbraw/zinc/32/19/66/337321966.db2.gz	JJJLEGFEUNQXCE-OUAUKWLOSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000422699215	337683419	/nfs/dbraw/zinc/68/34/19/337683419.db2.gz	COBNSLARMWGHMA-NEPJUHHUSA-N	-1	0	312.366	0.265	20	30		DCEDRM
N#CC1(C(=O)NCCN2c3ccccc3[N-]S2(=O)=O)CCC1	ZINC000450764709	338704356	/nfs/dbraw/zinc/70/43/56/338704356.db2.gz	WDASQNDUKOOCKD-UHFFFAOYSA-N	-1	0	320.374	0.973	20	30		DCEDRM
COc1ccc(/C=C/C(=O)[N-]S(=O)(=O)CCCC#N)nc1	ZINC000492502994	339902518	/nfs/dbraw/zinc/90/25/18/339902518.db2.gz	MSAYNQLAZPUBQD-FNORWQNLSA-N	-1	0	309.347	0.853	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)OC)c1	ZINC000496362439	340003844	/nfs/dbraw/zinc/00/38/44/340003844.db2.gz	QODKPJSRIYZLHA-UHFFFAOYSA-N	-1	0	310.331	0.948	20	30		DCEDRM
CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CCC#N)C1	ZINC000496609670	340008878	/nfs/dbraw/zinc/00/88/78/340008878.db2.gz	WPDKGASLYDUNDM-JTQLQIEISA-N	-1	0	317.367	0.215	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000497082013	340019792	/nfs/dbraw/zinc/01/97/92/340019792.db2.gz	WSQYZEQWRYVPHB-ZJUUUORDSA-N	-1	0	316.354	0.672	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC000543787007	341058764	/nfs/dbraw/zinc/05/87/64/341058764.db2.gz	HNHJISPGUFYBRT-SNVBAGLBSA-N	-1	0	323.330	0.413	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccccc1COC)C(=O)[O-]	ZINC000543787550	341058883	/nfs/dbraw/zinc/05/88/83/341058883.db2.gz	KTWWRHFXZNWPRW-LBPRGKRZSA-N	-1	0	311.359	0.978	20	30		DCEDRM
COC(=O)C[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-]	ZINC000548537219	341265826	/nfs/dbraw/zinc/26/58/26/341265826.db2.gz	OIVULPVHXPAHJB-VIFPVBQESA-N	-1	0	318.351	0.006	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000548555434	341266094	/nfs/dbraw/zinc/26/60/94/341266094.db2.gz	QOLQNWQYQGXPEJ-SNVBAGLBSA-N	-1	0	304.368	0.479	20	30		DCEDRM
C=CCNC(=O)c1cccc(S(=O)(=O)NC2(C(=O)[O-])CC2)c1	ZINC000554538389	341457015	/nfs/dbraw/zinc/45/70/15/341457015.db2.gz	AGJNLKOUWWOUMQ-UHFFFAOYSA-N	-1	0	324.358	0.498	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CCO1	ZINC000566228235	341551258	/nfs/dbraw/zinc/55/12/58/341551258.db2.gz	YRPKZWBUKMPGBM-NSHDSACASA-N	-1	0	303.274	0.074	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000573551683	341731610	/nfs/dbraw/zinc/73/16/10/341731610.db2.gz	KOVCGVINANJXMP-JTQLQIEISA-N	-1	0	324.358	0.588	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)CC1	ZINC000575445428	341798655	/nfs/dbraw/zinc/79/86/55/341798655.db2.gz	WJCKHOXRQHEMEK-ZWNOBZJWSA-N	-1	0	314.363	0.043	20	30		DCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1	ZINC000577575006	341919569	/nfs/dbraw/zinc/91/95/69/341919569.db2.gz	UAEZSDRAOQTBAV-STQMWFEESA-N	-1	0	313.375	0.539	20	30		DCEDRM
C=CCOCCCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000266300624	526745297	/nfs/dbraw/zinc/74/52/97/526745297.db2.gz	SRVOFQROMMYSLT-UHFFFAOYSA-N	-1	0	320.396	0.831	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCO1)C(=O)OC	ZINC000360616967	526793935	/nfs/dbraw/zinc/79/39/35/526793935.db2.gz	CXJMGFKKTWMNCR-VXGBXAGGSA-N	-1	0	321.395	0.219	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc2c(c1)CCO2)C(=O)[O-]	ZINC000262866186	526804102	/nfs/dbraw/zinc/80/41/02/526804102.db2.gz	BBRPOOPQZIMLJU-ZDUSSCGKSA-N	-1	0	305.330	0.936	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)CC)C(=O)[O-]	ZINC000262859199	526805596	/nfs/dbraw/zinc/80/55/96/526805596.db2.gz	AOAZKHRBMGOSON-RYUDHWBXSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=CCOc1cc(OC)ccc1C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000262750303	526828273	/nfs/dbraw/zinc/82/82/73/526828273.db2.gz	AHJCRIQDAUERRF-OAHLLOKOSA-N	-1	0	309.318	0.825	20	30		DCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)C(=O)[O-])cc1	ZINC000262527755	527050791	/nfs/dbraw/zinc/05/07/91/527050791.db2.gz	NYXJNWAETLAZPB-JTQLQIEISA-N	-1	0	324.358	0.049	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1	ZINC000291022805	527069173	/nfs/dbraw/zinc/06/91/73/527069173.db2.gz	AMOAJUUXLGPRNM-JTQLQIEISA-N	-1	0	314.388	0.582	20	30		DCEDRM
C=CCc1ccc(OCC(=O)NCc2n[nH]c(=O)[n-]2)c(OC)c1	ZINC000358957958	527251370	/nfs/dbraw/zinc/25/13/70/527251370.db2.gz	XOECRXMREPKQAT-UHFFFAOYSA-N	-1	0	318.333	0.943	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000408487353	527486957	/nfs/dbraw/zinc/48/69/57/527486957.db2.gz	VQOZMSKHWMDSKD-TUAOUCFPSA-N	-1	0	303.380	0.593	20	30		DCEDRM
C=CCOCCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000313819225	546024305	/nfs/dbraw/zinc/02/43/05/546024305.db2.gz	XGHNDHDEOAKXKT-UHFFFAOYSA-N	-1	0	315.347	0.874	20	30		DCEDRM
CS(=O)(=O)N1CC[C@@H](CNC(=O)N=c2cn[n-]s2)C1	ZINC000330267128	546057001	/nfs/dbraw/zinc/05/70/01/546057001.db2.gz	QIIQDHDYGVXCIE-ZETCQYMHSA-N	-1	0	305.385	0.146	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1	ZINC000735407988	598855400	/nfs/dbraw/zinc/85/54/00/598855400.db2.gz	CURZKTGNDMWPHT-UHFFFAOYSA-N	-1	0	321.362	0.779	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)CCNC(=O)[O-])c1	ZINC000736090539	599723964	/nfs/dbraw/zinc/72/39/64/599723964.db2.gz	BIRQDTUAUBPTLY-UHFFFAOYSA-N	-1	0	303.318	0.723	20	30		DCEDRM
CN(CC(=O)[O-])CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000739631363	597054750	/nfs/dbraw/zinc/05/47/50/597054750.db2.gz	CSGTYBKOEFLARS-UHFFFAOYSA-N	-1	0	316.317	0.296	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)NCCCC(=O)[O-])CC2)nc1	ZINC000263495032	597310100	/nfs/dbraw/zinc/31/01/00/597310100.db2.gz	SNJUNWIRKYMUCA-UHFFFAOYSA-N	-1	0	317.349	0.650	20	30		DCEDRM
N#Cc1cccc(OCC(=O)OCc2cn(CC(=O)[O-])nn2)c1	ZINC000821340532	597357081	/nfs/dbraw/zinc/35/70/81/597357081.db2.gz	LJCBPLSUZPLUBB-UHFFFAOYSA-N	-1	0	316.273	0.357	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCn1cc([N+](=O)[O-])ccc1=O	ZINC000819874680	597619748	/nfs/dbraw/zinc/61/97/48/597619748.db2.gz	OTRDRMXKEFGNLB-CYBMUJFWSA-N	-1	0	323.261	0.304	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NC(=O)c1cccs1	ZINC000819865283	597623070	/nfs/dbraw/zinc/62/30/70/597623070.db2.gz	KFLWXSUUAWVZSQ-CYBMUJFWSA-N	-1	0	324.314	0.552	20	30		DCEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)Nc1ncccn1	ZINC000820162019	597625278	/nfs/dbraw/zinc/62/52/78/597625278.db2.gz	WNSYFQJLLCAIDI-SDBXPKJASA-N	-1	0	306.278	0.351	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCC(=O)Nc1ccccn1	ZINC000819833733	597634114	/nfs/dbraw/zinc/63/41/14/597634114.db2.gz	IREUHLZXLVQLKA-CQSZACIVSA-N	-1	0	304.306	0.531	20	30		DCEDRM
CCOC(=O)N[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820369301	597635530	/nfs/dbraw/zinc/63/55/30/597635530.db2.gz	ZRKMZLIILVTOTD-IINYFYTJSA-N	-1	0	311.338	0.728	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](N2CCCCC2=O)C1	ZINC000819811760	597646101	/nfs/dbraw/zinc/64/61/01/597646101.db2.gz	VRYBCRKDXFKWNV-MLGOLLRUSA-N	-1	0	321.377	0.994	20	30		DCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1nnc2n1CCCC2	ZINC000820113757	597657248	/nfs/dbraw/zinc/65/72/48/597657248.db2.gz	GDJBXICMQOTGCZ-XPTSAGLGSA-N	-1	0	305.338	0.796	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1ccc(C#N)nc1)[C@@H](C)C(=O)[O-]	ZINC000819758246	597684726	/nfs/dbraw/zinc/68/47/26/597684726.db2.gz	TYBOGOSZWCTIGB-VIFPVBQESA-N	-1	0	304.306	0.005	20	30		DCEDRM
CC(=O)NC1CCC(N(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819737223	597817458	/nfs/dbraw/zinc/81/74/58/597817458.db2.gz	JHXZMDVGZGPIKY-KOHJWAIASA-N	-1	0	309.366	0.897	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1COc2ccccc2O1	ZINC000819833739	598222060	/nfs/dbraw/zinc/22/20/60/598222060.db2.gz	IXOAONJQRJSCET-ZUZCIYMTSA-N	-1	0	304.302	0.947	20	30		DCEDRM
CCc1nnc2n1C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000820503971	598226132	/nfs/dbraw/zinc/22/61/32/598226132.db2.gz	MKTMPQVWUBAEIU-XPTSAGLGSA-N	-1	0	305.338	0.276	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCn2c(nnc2C2CC2)C1	ZINC000819821303	598227389	/nfs/dbraw/zinc/22/73/89/598227389.db2.gz	FFTLTQAZXUTBIF-AWEZNQCLSA-N	-1	0	303.322	0.502	20	30		DCEDRM
CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820524250	598227735	/nfs/dbraw/zinc/22/77/35/598227735.db2.gz	NIYFHRROWZVLPZ-HFAKWTLXSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CN(C)C(=O)c1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccn1	ZINC000820530360	598227764	/nfs/dbraw/zinc/22/77/64/598227764.db2.gz	FIKQAHQCMFNDLZ-AWEZNQCLSA-N	-1	0	304.306	0.726	20	30		DCEDRM
CN(C)C(=O)c1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccn1	ZINC000820530361	598227783	/nfs/dbraw/zinc/22/77/83/598227783.db2.gz	FIKQAHQCMFNDLZ-CQSZACIVSA-N	-1	0	304.306	0.726	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1ccc(F)cc1C#N	ZINC000737706002	598644846	/nfs/dbraw/zinc/64/48/46/598644846.db2.gz	UMOUITQRXFENSP-UHFFFAOYSA-N	-1	0	309.268	0.576	20	30		DCEDRM
COC(=O)c1cc(NC(=O)[C@@H](C)N(C)CC#N)cc(C(=O)[O-])c1	ZINC000737662353	599770820	/nfs/dbraw/zinc/77/08/20/599770820.db2.gz	VRXUEYGJOWVHML-SECBINFHSA-N	-1	0	319.317	0.954	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC000736090160	599882420	/nfs/dbraw/zinc/88/24/20/599882420.db2.gz	WGEWRSRBCWZTDS-LLVKDONJSA-N	-1	0	316.313	0.570	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)NCCSCC(=O)[O-])c1	ZINC000736090988	599910563	/nfs/dbraw/zinc/91/05/63/599910563.db2.gz	MIMDISDHSWJMQH-UHFFFAOYSA-N	-1	0	306.343	0.540	20	30		DCEDRM
CN(C(=O)CN1CCO[C@H](C#N)C1)c1ccccc1C(=O)[O-]	ZINC000737323312	599993047	/nfs/dbraw/zinc/99/30/47/599993047.db2.gz	WOUXGOQHEZFTME-LLVKDONJSA-N	-1	0	303.318	0.572	20	30		DCEDRM
C[C@@H](CS(=O)(=O)CC(=O)NCc1cccc(C#N)c1)C(=O)[O-]	ZINC000736615563	600197517	/nfs/dbraw/zinc/19/75/17/600197517.db2.gz	OUMRFRWDXZIPHZ-JTQLQIEISA-N	-1	0	324.358	0.310	20	30		DCEDRM
N#Cc1ccc(Cl)cc1NC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000739117335	600310591	/nfs/dbraw/zinc/31/05/91/600310591.db2.gz	DEVDIYYVDRALDV-PWSUYJOCSA-N	-1	0	323.736	0.670	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@@H](NC(N)=O)c1ccccc1	ZINC000739077177	600401903	/nfs/dbraw/zinc/40/19/03/600401903.db2.gz	JVXNIKNDDNKDET-LLVKDONJSA-N	-1	0	304.306	0.223	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000739076084	600405092	/nfs/dbraw/zinc/40/50/92/600405092.db2.gz	RLSUHRSTSFCLSU-ZDUSSCGKSA-N	-1	0	315.329	0.472	20	30		DCEDRM
COC(=O)c1cc(C(=O)N(CC#N)CC(=O)[O-])cc([N+](=O)[O-])c1	ZINC000737651697	600405223	/nfs/dbraw/zinc/40/52/23/600405223.db2.gz	RKOJVYUFAUAXEZ-UHFFFAOYSA-N	-1	0	321.245	0.432	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])nc2)CCN1C1CC1	ZINC000739068209	600461286	/nfs/dbraw/zinc/46/12/86/600461286.db2.gz	BNXFBPPIKMZHQX-LBPRGKRZSA-N	-1	0	300.318	0.592	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)C2CC(=O)NC(=O)C2)C(=O)[O-])cc1	ZINC000739110238	600616003	/nfs/dbraw/zinc/61/60/03/600616003.db2.gz	PFDZRYRIRZWYBI-CYBMUJFWSA-N	-1	0	316.269	0.280	20	30		DCEDRM
Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000826250604	607460591	/nfs/dbraw/zinc/46/05/91/607460591.db2.gz	IXMQMRMOVYZYBB-UHFFFAOYSA-N	-1	0	319.288	0.894	20	30		DCEDRM
C[C@H](C(=O)N(CC#N)CC(=O)[O-])N1C(=O)c2ccccc2C1=O	ZINC000736200881	600675187	/nfs/dbraw/zinc/67/51/87/600675187.db2.gz	SDVSFEASOWVJCB-SECBINFHSA-N	-1	0	315.285	0.108	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cc(F)c(F)cc1F	ZINC000739085040	600764288	/nfs/dbraw/zinc/76/42/88/600764288.db2.gz	BGQYERFLGOGEHL-UHFFFAOYSA-N	-1	0	308.237	0.703	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCN(CC#N)CC2)cc1C(=O)[O-]	ZINC000832954382	600777749	/nfs/dbraw/zinc/77/77/49/600777749.db2.gz	AEJWFISRDCUJBJ-UHFFFAOYSA-N	-1	0	323.374	0.523	20	30		DCEDRM
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000736444656	600787945	/nfs/dbraw/zinc/78/79/45/600787945.db2.gz	ZKMJTAFAGHWWPI-GFCCVEGCSA-N	-1	0	324.381	0.501	20	30		DCEDRM
COCCN(CCC#N)CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC000831724832	601017514	/nfs/dbraw/zinc/01/75/14/601017514.db2.gz	CUOWZKCQLXQWMV-UHFFFAOYSA-N	-1	0	311.382	0.752	20	30		DCEDRM
C#CCOc1cccc(NC(=O)Cn2cc(C(=O)[O-])nn2)c1	ZINC000825631433	601200250	/nfs/dbraw/zinc/20/02/50/601200250.db2.gz	DRSJDJWPGWAMEA-UHFFFAOYSA-N	-1	0	300.274	0.627	20	30		DCEDRM
Cc1cc(NC(=O)CN(CC#N)CC(=O)[O-])n(C(C)(C)C)n1	ZINC000832893508	601225922	/nfs/dbraw/zinc/22/59/22/601225922.db2.gz	OQAMOIOHTGPAFF-UHFFFAOYSA-N	-1	0	307.354	0.795	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC000833061800	601253104	/nfs/dbraw/zinc/25/31/04/601253104.db2.gz	HVCUWPGFSSHAFK-GCLPIYDQSA-N	-1	0	322.342	0.697	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)N(CCC#N)Cc1ccco1	ZINC000088769830	601253105	/nfs/dbraw/zinc/25/31/05/601253105.db2.gz	XBHJXFQEACOZEG-UHFFFAOYSA-N	-1	0	315.351	0.647	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC000833061805	601253254	/nfs/dbraw/zinc/25/32/54/601253254.db2.gz	HVCUWPGFSSHAFK-MJRJWQSSSA-N	-1	0	322.342	0.697	20	30		DCEDRM
C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1cccc(C#N)c1	ZINC000827747950	601264462	/nfs/dbraw/zinc/26/44/62/601264462.db2.gz	WQMZLVGLRUNCIZ-JTQLQIEISA-N	-1	0	311.363	0.860	20	30		DCEDRM
N#Cc1cccc([C@@H](C(=O)[O-])N2CCCS(=O)(=O)CC2)c1	ZINC000833074313	601318098	/nfs/dbraw/zinc/31/80/98/601318098.db2.gz	UWHDVXLOHLAQNE-ZDUSSCGKSA-N	-1	0	308.359	0.804	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CCO[C@@H](CC(=O)[O-])C2)nc1	ZINC000825618514	601381523	/nfs/dbraw/zinc/38/15/23/601381523.db2.gz	CQGJDXWBJFOJSB-LBPRGKRZSA-N	-1	0	303.318	0.125	20	30		DCEDRM
O=C([O-])C[C@@H]1C(=O)NCCN1CC#Cc1ccc(Cl)cc1	ZINC000833207417	601411335	/nfs/dbraw/zinc/41/13/35/601411335.db2.gz	MSAJDSIPOMBYGY-CYBMUJFWSA-N	-1	0	306.749	0.967	20	30		DCEDRM
CN(C(=O)CN1CCOC[C@H]1C(=O)[O-])C1(C#N)CCCCC1	ZINC000830485295	601558828	/nfs/dbraw/zinc/55/88/28/601558828.db2.gz	CTJRYWQCWMOCFI-LBPRGKRZSA-N	-1	0	309.366	0.457	20	30		DCEDRM
COC(=O)C[C@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC000831147952	601573874	/nfs/dbraw/zinc/57/38/74/601573874.db2.gz	MLUPGNSKXPSFHX-ZFWWWQNUSA-N	-1	0	318.329	0.948	20	30		DCEDRM
Cn1ncc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1N	ZINC000833062379	601590538	/nfs/dbraw/zinc/59/05/38/601590538.db2.gz	OGBOVLMVUYHKPV-NSHDSACASA-N	-1	0	300.274	0.857	20	30		DCEDRM
C=CCN1C(=O)N=NC1SCc1noc(CCC(=O)[O-])n1	ZINC000825711066	601865329	/nfs/dbraw/zinc/86/53/29/601865329.db2.gz	NJYIMMJXWCUUAY-UHFFFAOYSA-N	-1	0	311.323	0.862	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1N(C)C	ZINC000832954206	602156974	/nfs/dbraw/zinc/15/69/74/602156974.db2.gz	QRUUFSXCIWSNRB-UHFFFAOYSA-N	-1	0	311.363	0.660	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1	ZINC000736090739	603319833	/nfs/dbraw/zinc/31/98/33/603319833.db2.gz	IUMBVCLLYCIXCC-ZDUSSCGKSA-N	-1	0	315.329	0.865	20	30		DCEDRM
Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830845999	603592456	/nfs/dbraw/zinc/59/24/56/603592456.db2.gz	KKUILYCVDWDGFD-CABZTGNLSA-N	-1	0	319.365	0.855	20	30		DCEDRM
CC(C)(C)OC(=O)NCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000823818427	603593222	/nfs/dbraw/zinc/59/32/22/603593222.db2.gz	ZTKAPSMDQDYWBX-SECBINFHSA-N	-1	0	312.326	0.225	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CCN1C1CC1	ZINC000831075843	603613364	/nfs/dbraw/zinc/61/33/64/603613364.db2.gz	DFGXSPRYFLTNQA-GMXVVIOVSA-N	-1	0	306.366	0.621	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000828365658	603651126	/nfs/dbraw/zinc/65/11/26/603651126.db2.gz	BKHSFIFSLJMOQB-STQMWFEESA-N	-1	0	303.318	0.630	20	30		DCEDRM
N#CCOc1cccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1	ZINC000831109817	603666532	/nfs/dbraw/zinc/66/65/32/603666532.db2.gz	VWPOXCHBYKUOOJ-CMPLNLGQSA-N	-1	0	305.290	0.641	20	30		DCEDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)Nc1cnn(CC#N)c1	ZINC000826116023	603708809	/nfs/dbraw/zinc/70/88/09/603708809.db2.gz	NWYIJXLFICLJFS-WPRPVWTQSA-N	-1	0	307.310	0.849	20	30		DCEDRM
Cc1nn(C)c(C)c1NC(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830854762	603725592	/nfs/dbraw/zinc/72/55/92/603725592.db2.gz	AQVSIBRXKWCZST-LLVKDONJSA-N	-1	0	320.353	0.163	20	30		DCEDRM
N#Cc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c(F)c1	ZINC000831126775	603758896	/nfs/dbraw/zinc/75/88/96/603758896.db2.gz	REBQCCUERGRENE-ZYHUDNBSSA-N	-1	0	307.281	0.427	20	30		DCEDRM
N#CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])CC1	ZINC000831102806	603775614	/nfs/dbraw/zinc/77/56/14/603775614.db2.gz	VDUQMIPNJDRLOR-WCQYABFASA-N	-1	0	323.397	0.710	20	30		DCEDRM
CN(C(=O)[O-])[C@@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000827875806	603843959	/nfs/dbraw/zinc/84/39/59/603843959.db2.gz	ILNHQUHKHCGHTF-OLZOCXBDSA-N	-1	0	302.334	0.769	20	30		DCEDRM
CC(C)(C#N)CCN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O	ZINC000823737429	603870784	/nfs/dbraw/zinc/87/07/84/603870784.db2.gz	GVMUMGKIXDWSAU-UHFFFAOYSA-N	-1	0	308.338	0.991	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)CCCC#N)C1	ZINC000825270301	604043177	/nfs/dbraw/zinc/04/31/77/604043177.db2.gz	ADSQOJRZZOFXHY-WDEREUQCSA-N	-1	0	303.384	0.988	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2n[nH]nc2c1	ZINC000831088187	604066642	/nfs/dbraw/zinc/06/66/42/604066642.db2.gz	ZWKJPCNATASCBN-SECBINFHSA-N	-1	0	300.278	0.286	20	30		DCEDRM
CC(C)(C)N1C[C@H](C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)CC1=O	ZINC000823772550	604072137	/nfs/dbraw/zinc/07/21/37/604072137.db2.gz	NCSLKSZEBIAEAW-GHMZBOCLSA-N	-1	0	322.365	0.348	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000829061344	604072214	/nfs/dbraw/zinc/07/22/14/604072214.db2.gz	LWLJDFCPIPJBHR-CYBMUJFWSA-N	-1	0	316.317	0.995	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1COc2ccccc2O1	ZINC000831076685	604072985	/nfs/dbraw/zinc/07/29/85/604072985.db2.gz	RANDNAJGUPFLNJ-MFKMUULPSA-N	-1	0	317.301	0.541	20	30		DCEDRM
COC(=O)c1cccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000828793742	604076043	/nfs/dbraw/zinc/07/60/43/604076043.db2.gz	LFVGEIGTUXBGPW-VIFPVBQESA-N	-1	0	318.289	0.196	20	30		DCEDRM
CC(C)CN1C[C@@H](C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)CC1=O	ZINC000824256649	604086382	/nfs/dbraw/zinc/08/63/82/604086382.db2.gz	GLLHSLBAKABXGH-NWDGAFQWSA-N	-1	0	322.365	0.205	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCCn1ccccc1=O	ZINC000831082345	604088951	/nfs/dbraw/zinc/08/89/51/604088951.db2.gz	LDKHLDGNQFTQDS-GFCCVEGCSA-N	-1	0	318.333	0.343	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CC1CN(C(=O)[O-])C1	ZINC000824058285	604092763	/nfs/dbraw/zinc/09/27/63/604092763.db2.gz	XQPWPDQDKVFTBF-CQSZACIVSA-N	-1	0	311.338	0.584	20	30		DCEDRM
N#Cc1nccnc1N1CCC(OCCCNC(=O)[O-])CC1	ZINC000831161743	604163661	/nfs/dbraw/zinc/16/36/61/604163661.db2.gz	KRLOWHBWWVWAIL-UHFFFAOYSA-N	-1	0	305.338	0.991	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CCO1	ZINC000831076480	604211730	/nfs/dbraw/zinc/21/17/30/604211730.db2.gz	NCPWGXDRVZSYBZ-YATPEIPISA-N	-1	0	308.338	0.594	20	30		DCEDRM
CNC(=O)[C@@H](C#N)C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-]	ZINC000828520345	604224148	/nfs/dbraw/zinc/22/41/48/604224148.db2.gz	ANLYASBFKFPACY-NEPJUHHUSA-N	-1	0	303.318	0.710	20	30		DCEDRM
CN(C(=O)[O-])c1ccc(NC(=O)Cn2cnc(C#N)n2)cc1	ZINC000830514689	604292880	/nfs/dbraw/zinc/29/28/80/604292880.db2.gz	VEQUNLRIZSSJRB-UHFFFAOYSA-N	-1	0	300.278	0.903	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)n1	ZINC000833078087	604310717	/nfs/dbraw/zinc/31/07/17/604310717.db2.gz	BPWSPDDIHHNSTF-LBPRGKRZSA-N	-1	0	313.317	0.872	20	30		DCEDRM
CCn1c(C2CCN(C(=O)[O-])CC2)nn(CN(C)CC#N)c1=O	ZINC000827687289	604432619	/nfs/dbraw/zinc/43/26/19/604432619.db2.gz	DFSOLPSMFPNQHD-UHFFFAOYSA-N	-1	0	322.369	0.335	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)c2ccc(C)cc2C(=O)[O-])CC1	ZINC000833364651	604465345	/nfs/dbraw/zinc/46/53/45/604465345.db2.gz	RQTZAJYSFPITIG-UHFFFAOYSA-N	-1	0	322.386	0.633	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)NC2CN(C(=O)[O-])C2)cc1	ZINC000831102262	604583346	/nfs/dbraw/zinc/58/33/46/604583346.db2.gz	DQBBPURZHGRBEY-UHFFFAOYSA-N	-1	0	304.306	0.750	20	30		DCEDRM
C#CCOCCC(=O)OCC(=O)Nc1ccccc1C(=O)[O-]	ZINC000833366049	604587174	/nfs/dbraw/zinc/58/71/74/604587174.db2.gz	CVCCVPVTIOGFIF-UHFFFAOYSA-N	-1	0	305.286	0.906	20	30		DCEDRM
C#CCOCCC(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000833364031	604589513	/nfs/dbraw/zinc/58/95/13/604589513.db2.gz	HVMUVXBLHPKOMW-LLVKDONJSA-N	-1	0	311.334	0.281	20	30		DCEDRM
C#CCOCCC(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000833364032	604589574	/nfs/dbraw/zinc/58/95/74/604589574.db2.gz	HVMUVXBLHPKOMW-NSHDSACASA-N	-1	0	311.334	0.281	20	30		DCEDRM
C[C@H](OC(=O)c1ccc(C#N)nc1)c1cn(CC(=O)[O-])nn1	ZINC000827853914	604703956	/nfs/dbraw/zinc/70/39/56/604703956.db2.gz	PHXUDVVVKCCZRW-QMMMGPOBSA-N	-1	0	301.262	0.547	20	30		DCEDRM
Cc1nc(Cl)cc(N=NC(C)c2cn(CC(=O)[O-])nn2)n1	ZINC000825804666	604786631	/nfs/dbraw/zinc/78/66/31/604786631.db2.gz	SITPKZMSTCGNRJ-UHFFFAOYSA-N	-1	0	309.717	0.951	20	30		DCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000831265960	604817318	/nfs/dbraw/zinc/81/73/18/604817318.db2.gz	WLZCZJJZFHEMOB-LLVKDONJSA-N	-1	0	302.286	0.635	20	30		DCEDRM
O=C([O-])C[C@@H]1C(=O)NCCN1CC#Cc1cccc(Cl)c1	ZINC000833206867	604834052	/nfs/dbraw/zinc/83/40/52/604834052.db2.gz	BNYYTGJSLXWXJY-CYBMUJFWSA-N	-1	0	306.749	0.967	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000833370818	605057442	/nfs/dbraw/zinc/05/74/42/605057442.db2.gz	NSZGPHXWPYXIEV-LLVKDONJSA-N	-1	0	320.345	0.933	20	30		DCEDRM
C#CCCN1CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)CC1	ZINC000833362167	605191219	/nfs/dbraw/zinc/19/12/19/605191219.db2.gz	CKGSKVVUILHQAG-UHFFFAOYSA-N	-1	0	321.421	0.531	20	30		DCEDRM
COC(=O)c1cc(CN2CCOC[C@@H]2C#N)cc(C(=O)[O-])c1	ZINC000833713268	605207881	/nfs/dbraw/zinc/20/78/81/605207881.db2.gz	UUHSPGCTVOUSJD-ZDUSSCGKSA-N	-1	0	304.302	0.896	20	30		DCEDRM
C=CCNC(=O)CNC(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000393839522	605215301	/nfs/dbraw/zinc/21/53/01/605215301.db2.gz	UZBWMKYBGCKQPM-UHFFFAOYSA-N	-1	0	305.334	0.529	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)[C@@H]1COCCN1C(=O)[O-])CC2	ZINC000833976558	605365068	/nfs/dbraw/zinc/36/50/68/605365068.db2.gz	HTRHBCXODATYTF-ZDUSSCGKSA-N	-1	0	301.302	0.826	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000833366483	605418267	/nfs/dbraw/zinc/41/82/67/605418267.db2.gz	YUNCSECYVWWELU-UHFFFAOYSA-N	-1	0	318.738	0.361	20	30		DCEDRM
C[C@@H]1C[C@H](NC(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000825846224	605537210	/nfs/dbraw/zinc/53/72/10/605537210.db2.gz	UGLDYIFJCQVIKG-NXEZZACHSA-N	-1	0	324.362	0.762	20	30		DCEDRM
C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cnc(C(=O)[O-])cn1	ZINC000833375348	605641789	/nfs/dbraw/zinc/64/17/89/605641789.db2.gz	SFFOGRPNKZMLHT-JTQLQIEISA-N	-1	0	319.317	0.921	20	30		DCEDRM
C=CCOCCCC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833375519	605662888	/nfs/dbraw/zinc/66/28/88/605662888.db2.gz	CPHAOLHRSXIUGK-NEPJUHHUSA-N	-1	0	313.350	0.834	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@]1(C)CCCN1C(=O)[O-]	ZINC000833857403	605728777	/nfs/dbraw/zinc/72/87/77/605728777.db2.gz	KONXACUNHMLMCQ-AWEZNQCLSA-N	-1	0	311.338	0.824	20	30		DCEDRM
CC[C@](C)(CNC(=O)[O-])C(=O)OCCn1ncc(C#N)c1N	ZINC000833842147	605739545	/nfs/dbraw/zinc/73/95/45/605739545.db2.gz	XQFYDOUCBRFCNJ-CYBMUJFWSA-N	-1	0	309.326	0.564	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCNC(=O)[O-])c(Cl)c1	ZINC000833976049	605753475	/nfs/dbraw/zinc/75/34/75/605753475.db2.gz	BXSSRJVBYBCBAV-UHFFFAOYSA-N	-1	0	303.727	0.758	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC2CN(C(=O)[O-])C2)c(Cl)c1	ZINC000833975895	605754836	/nfs/dbraw/zinc/75/48/36/605754836.db2.gz	GQLFTBRNRZSKLM-UHFFFAOYSA-N	-1	0	315.738	0.852	20	30		DCEDRM
C[C@@H]1CCCN(C(=O)Cn2cnc(C#N)n2)[C@@H]1CNC(=O)[O-]	ZINC000825914081	605764530	/nfs/dbraw/zinc/76/45/30/605764530.db2.gz	XASPUKRBCKFZOC-NXEZZACHSA-N	-1	0	306.326	0.044	20	30		DCEDRM
C[C@H]1CCCN(C(=O)Cn2cnc(C#N)n2)[C@H]1CNC(=O)[O-]	ZINC000825914082	605764762	/nfs/dbraw/zinc/76/47/62/605764762.db2.gz	XASPUKRBCKFZOC-UWVGGRQHSA-N	-1	0	306.326	0.044	20	30		DCEDRM
N#CCN1CCC(NC(=O)NC[C@H](NC(=O)[O-])C2CC2)CC1	ZINC000833967973	605816843	/nfs/dbraw/zinc/81/68/43/605816843.db2.gz	VZULOTKPGUXUHT-LBPRGKRZSA-N	-1	0	309.370	0.320	20	30		DCEDRM
N#Cc1cccc(COC(=O)[C@@H](CC(N)=O)NC(=O)[O-])c1F	ZINC000833978853	605956018	/nfs/dbraw/zinc/95/60/18/605956018.db2.gz	YZZFNQAYBSRZEP-SECBINFHSA-N	-1	0	309.253	0.252	20	30		DCEDRM
N#CC1(NC(=O)[C@@H]2CC23CCN(C(=O)[O-])CC3)CCOCC1	ZINC000833964482	605964055	/nfs/dbraw/zinc/96/40/55/605964055.db2.gz	IEPQIKYGFKIEGZ-NSHDSACASA-N	-1	0	307.350	0.955	20	30		DCEDRM
N#C[C@@H]1CSCCN1C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000833966243	605972873	/nfs/dbraw/zinc/97/28/73/605972873.db2.gz	ITEVRMMGAIBZRX-NXEZZACHSA-N	-1	0	315.420	0.939	20	30		DCEDRM
N#C[C@@H](C(=O)CCOC1CN(C(=O)[O-])C1)C(=O)NC1CCCC1	ZINC000833961732	606110478	/nfs/dbraw/zinc/11/04/78/606110478.db2.gz	ULQRUAUUCHVZSZ-LBPRGKRZSA-N	-1	0	323.349	0.523	20	30		DCEDRM
C=CCN(CC(F)(F)F)C(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC000819739960	607210922	/nfs/dbraw/zinc/21/09/22/607210922.db2.gz	LPELSESNLGQBQL-UHFFFAOYSA-N	-1	0	316.247	0.035	20	30		DCEDRM
CN(C)c1ccccc1Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000825884231	609176302	/nfs/dbraw/zinc/17/63/02/609176302.db2.gz	WFYVQBOENFIODN-UHFFFAOYSA-N	-1	0	309.337	0.631	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000085855304	660788532	/nfs/dbraw/zinc/78/85/32/660788532.db2.gz	XHHXMYZDLQXMBZ-LBPRGKRZSA-N	-1	0	314.294	0.219	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)Cc1ccccc1C#N	ZINC000049607021	657575887	/nfs/dbraw/zinc/57/58/87/657575887.db2.gz	YMVMWNVLYSNVOW-UHFFFAOYSA-N	-1	0	312.347	0.421	20	30		DCEDRM
C[S@](=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)cc1	ZINC000181271946	665514572	/nfs/dbraw/zinc/51/45/72/665514572.db2.gz	XAHNMPUDIBGWGL-IBGZPJMESA-N	-1	0	314.388	0.787	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000926549408	657952899	/nfs/dbraw/zinc/95/28/99/657952899.db2.gz	MWONPZIOGRPFMP-SNVBAGLBSA-N	-1	0	313.306	0.547	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1	ZINC000971364116	658536454	/nfs/dbraw/zinc/53/64/54/658536454.db2.gz	QJORCZCRBCHKRU-SNVBAGLBSA-N	-1	0	315.337	0.057	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1	ZINC000971375457	658549175	/nfs/dbraw/zinc/54/91/75/658549175.db2.gz	AESQGOVKWJIHIO-LLVKDONJSA-N	-1	0	315.337	0.057	20	30		DCEDRM
C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001024532600	658693176	/nfs/dbraw/zinc/69/31/76/658693176.db2.gz	KJZQINXZQBDRGL-SNVBAGLBSA-N	-1	0	307.354	0.443	20	30		DCEDRM
C#CC[N@H+](C)CCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000328267211	659532682	/nfs/dbraw/zinc/53/26/82/659532682.db2.gz	MUTIWLZZRNHWNG-HNNXBMFYSA-N	-1	0	317.389	0.937	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CCc1scnc1C	ZINC000892998688	659642446	/nfs/dbraw/zinc/64/24/46/659642446.db2.gz	LBTCFXYLGRTIIW-UHFFFAOYSA-N	-1	0	318.445	0.806	20	30		DCEDRM
COc1cc(S(=O)(=O)NCCC#N)cc(C(=O)[O-])c1OC	ZINC000054156418	661721060	/nfs/dbraw/zinc/72/10/60/661721060.db2.gz	RYSRVTBOBOVZRY-UHFFFAOYSA-N	-1	0	314.319	0.594	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC000983217781	661791745	/nfs/dbraw/zinc/79/17/45/661791745.db2.gz	VFPLGWGNIYGJEI-PSASIEDQSA-N	-1	0	305.338	0.162	20	30		DCEDRM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000867568849	661943077	/nfs/dbraw/zinc/94/30/77/661943077.db2.gz	QEPWJMRFFHWOSI-SNVBAGLBSA-N	-1	0	315.347	0.773	20	30		DCEDRM
NS(=O)(=O)CCCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000840704431	662305560	/nfs/dbraw/zinc/30/55/60/662305560.db2.gz	ANLOQAGRECSVHA-MDWZMJQESA-N	-1	0	301.324	0.788	20	30		DCEDRM
CCn1cc(/C=C/C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)c(C)n1	ZINC000899377935	663141495	/nfs/dbraw/zinc/14/14/95/663141495.db2.gz	JXZCIANCBLTOJM-VOTSOKGWSA-N	-1	0	318.333	0.211	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NC1CC2(C1)CO[C@H](C)C2)C(=O)[O-]	ZINC000900297035	663232763	/nfs/dbraw/zinc/23/27/63/663232763.db2.gz	DKXSMVKQARGKNT-NGWKBDRKSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@]1(c2cnn(C)c2)CCCO1	ZINC000900309111	663234033	/nfs/dbraw/zinc/23/40/33/663234033.db2.gz	VVRJCMJIPUNCHA-OAHLLOKOSA-N	-1	0	322.365	0.708	20	30		DCEDRM
O=C([O-])c1ccc(C=NNC(=S)NC[C@H]2CCCO2)cn1	ZINC000901140089	663325149	/nfs/dbraw/zinc/32/51/49/663325149.db2.gz	WOMBGFSCNWQADQ-SNVBAGLBSA-N	-1	0	308.363	0.757	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC000901681702	663362179	/nfs/dbraw/zinc/36/21/79/663362179.db2.gz	MIUPCXLCQIUFHJ-JQWIXIFHSA-N	-1	0	306.318	0.254	20	30		DCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000902628542	663423746	/nfs/dbraw/zinc/42/37/46/663423746.db2.gz	XDLBKHMQIJYYPI-BZNIZROVSA-N	-1	0	314.345	0.713	20	30		DCEDRM
N#Cc1cc(Cl)cc(CN2CCN(C(=O)C(=O)[O-])CC2)c1	ZINC000903409253	663453788	/nfs/dbraw/zinc/45/37/88/663453788.db2.gz	SKJZPHASXROJMZ-UHFFFAOYSA-N	-1	0	307.737	0.940	20	30		DCEDRM
C=CCOC[C@H](N[C@@H]1C[C@H](NC(=O)[O-])C12CCC2)C(=O)OC	ZINC000904237932	663506195	/nfs/dbraw/zinc/50/61/95/663506195.db2.gz	XLGYZWWOVCOTHW-TUAOUCFPSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@]1(OC(C)C)CCOC1	ZINC000905606224	663566184	/nfs/dbraw/zinc/56/61/84/663566184.db2.gz	FRVUZLBRYOUGHO-AWEZNQCLSA-N	-1	0	300.355	0.853	20	30		DCEDRM
O=C(C#Cc1cccs1)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907479437	663701113	/nfs/dbraw/zinc/70/11/13/663701113.db2.gz	DTWWHRHBYJNXPQ-SNVBAGLBSA-N	-1	0	305.388	0.929	20	30		DCEDRM
C[C@]1([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCNC1=O	ZINC000907808182	663720223	/nfs/dbraw/zinc/72/02/23/663720223.db2.gz	TZBFDDOIASQIHX-LBPRGKRZSA-N	-1	0	315.301	0.393	20	30		DCEDRM
C#C[C@@H](NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1)C(C)C	ZINC000907968492	663725987	/nfs/dbraw/zinc/72/59/87/663725987.db2.gz	YELYDMIRGMXLCI-GFCCVEGCSA-N	-1	0	313.361	0.960	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)NC[C@H](C)CN1CCOCC1)C(=O)[O-]	ZINC000908914775	663774110	/nfs/dbraw/zinc/77/41/10/663774110.db2.gz	ZISFBRLDWOPZHK-STQMWFEESA-N	-1	0	313.398	0.673	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)NCCOC[C@H]1CCCO1)C(=O)[O-]	ZINC000908906341	663774855	/nfs/dbraw/zinc/77/48/55/663774855.db2.gz	QONWPNLAOOAWSA-NEPJUHHUSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N[C@@](C)(COC)C(=O)[O-]	ZINC000908961598	663776370	/nfs/dbraw/zinc/77/63/70/663776370.db2.gz	VTCGNDAUQUWGMU-INIZCTEOSA-N	-1	0	320.345	0.988	20	30		DCEDRM
C#CCSCCNC(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000909053258	663779936	/nfs/dbraw/zinc/77/99/36/663779936.db2.gz	WGBPBSOISRYXHV-LLVKDONJSA-N	-1	0	300.380	0.532	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccnn1CC(F)F)C(=O)[O-]	ZINC000909765661	663799927	/nfs/dbraw/zinc/79/99/27/663799927.db2.gz	CSFXGOYCFMZYGZ-MRVPVSSYSA-N	-1	0	303.265	0.534	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCC(=O)c2cccn21)C(=O)[O-]	ZINC000909769632	663800595	/nfs/dbraw/zinc/80/05/95/663800595.db2.gz	AVFPVAVNIXRFJO-PWSUYJOCSA-N	-1	0	306.318	0.778	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@@H](C)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000910052694	663837510	/nfs/dbraw/zinc/83/75/10/663837510.db2.gz	GPJRCCLJIXTZIG-DGCLKSJQSA-N	-1	0	302.330	0.788	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@@H](C)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000910052696	663837558	/nfs/dbraw/zinc/83/75/58/663837558.db2.gz	GPJRCCLJIXTZIG-YPMHNXCESA-N	-1	0	302.330	0.788	20	30		DCEDRM
C#CC[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)C(=O)[O-]	ZINC000910054730	663838028	/nfs/dbraw/zinc/83/80/28/663838028.db2.gz	WSCNJMYPHPRHBU-GFCCVEGCSA-N	-1	0	302.334	0.286	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CSCN1C(C)=O)C(=O)[O-]	ZINC000910913805	663955987	/nfs/dbraw/zinc/95/59/87/663955987.db2.gz	DBPZRMJUCFDRNX-WDEREUQCSA-N	-1	0	300.380	0.834	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)cc1	ZINC000174087990	664635417	/nfs/dbraw/zinc/63/54/17/664635417.db2.gz	LXHVNPDAQCMYLU-UHFFFAOYSA-N	-1	0	308.359	0.769	20	30		DCEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1	ZINC000732909583	664974000	/nfs/dbraw/zinc/97/40/00/664974000.db2.gz	CVIDAHROVGOCGY-CYBMUJFWSA-N	-1	0	320.370	0.575	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cccc(C(N)=O)c1	ZINC000916869648	665097911	/nfs/dbraw/zinc/09/79/11/665097911.db2.gz	YNYYBLQMSWNKAF-ZDUSSCGKSA-N	-1	0	317.345	0.651	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)cc1	ZINC001032555103	665343641	/nfs/dbraw/zinc/34/36/41/665343641.db2.gz	ZMEFRNWXTPVOQU-KBPBESRZSA-N	-1	0	323.356	0.591	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCCCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC000943186579	666258053	/nfs/dbraw/zinc/25/80/53/666258053.db2.gz	ALDXUKHJTLDDRQ-KOLCDFICSA-N	-1	0	319.365	0.694	20	30		DCEDRM
C=C(Cl)CN1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1	ZINC001004049986	666431512	/nfs/dbraw/zinc/43/15/12/666431512.db2.gz	JEBFOGNZDUJHMQ-UHFFFAOYSA-N	-1	0	315.761	0.022	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC000996399504	666782186	/nfs/dbraw/zinc/78/21/86/666782186.db2.gz	CWDOUEXQWFFMIT-ZETCQYMHSA-N	-1	0	315.289	0.029	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)CCC)C1	ZINC000788071952	667019829	/nfs/dbraw/zinc/01/98/29/667019829.db2.gz	RAULXTURVCGWQL-GFCCVEGCSA-N	-1	0	314.407	0.494	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC000864186594	667222963	/nfs/dbraw/zinc/22/29/63/667222963.db2.gz	SPQXMCMQJRVUJK-QMMMGPOBSA-N	-1	0	315.761	0.683	20	30		DCEDRM
N#Cc1cc2c([n-]c1=O)CCN(C(=S)NC[C@H]1CCOC1)C2	ZINC000865250796	667316041	/nfs/dbraw/zinc/31/60/41/667316041.db2.gz	JSGQFRKHMJKDRR-SNVBAGLBSA-N	-1	0	318.402	0.928	20	30		DCEDRM
C[C@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC[C@@H]1NCC#N	ZINC001036260260	667433536	/nfs/dbraw/zinc/43/35/36/667433536.db2.gz	LVVHLTPAECHNMI-UWVGGRQHSA-N	-1	0	315.333	0.892	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1	ZINC000923163198	667466979	/nfs/dbraw/zinc/46/69/79/667466979.db2.gz	OBMMEGUZKQYDRT-RQJABVFESA-N	-1	0	309.362	0.896	20	30		DCEDRM
N#Cc1ccc(N2CCN(S(=O)(=O)c3ncc[n-]3)CC2)cc1	ZINC000867816028	667504841	/nfs/dbraw/zinc/50/48/41/667504841.db2.gz	QOFFYXLECZVJQP-UHFFFAOYSA-N	-1	0	317.374	0.792	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C)cc(C(=O)OC)c1	ZINC000838871324	667715575	/nfs/dbraw/zinc/71/55/75/667715575.db2.gz	MXFMCKZXAALLAU-UHFFFAOYSA-N	-1	0	309.343	0.865	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1	ZINC000838915773	667717658	/nfs/dbraw/zinc/71/76/58/667717658.db2.gz	BPLOXSNXKZSWGP-UHFFFAOYSA-N	-1	0	310.335	0.356	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1cn(C)cn1)OCC	ZINC000838990867	667723626	/nfs/dbraw/zinc/72/36/26/667723626.db2.gz	FRYKOVSZAWRAFJ-SNVBAGLBSA-N	-1	0	301.368	0.596	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCOC[C@@H]2OC)CC1	ZINC000870837428	667765362	/nfs/dbraw/zinc/76/53/62/667765362.db2.gz	LISSAKDBHMJLCY-MNOVXSKESA-N	-1	0	303.380	0.593	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C	ZINC000871939956	667858621	/nfs/dbraw/zinc/85/86/21/667858621.db2.gz	LDTQJLXWSCNMHZ-UHFFFAOYSA-N	-1	0	315.322	0.760	20	30		DCEDRM
Cc1nnc([S-])n(N=C[C@H]2CCN(c3cnn(C)c3)C2)c1=O	ZINC000872330092	667891436	/nfs/dbraw/zinc/89/14/36/667891436.db2.gz	GVRAVVZVQDMYSV-SNVBAGLBSA-N	-1	0	319.394	0.329	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)o1	ZINC000747204775	667897450	/nfs/dbraw/zinc/89/74/50/667897450.db2.gz	MOLGKDGVYHXDDJ-VIFPVBQESA-N	-1	0	307.306	0.244	20	30		DCEDRM
C#CCC[C@H](O)C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000872483881	667901788	/nfs/dbraw/zinc/90/17/88/667901788.db2.gz	KFLYEAMXCFBUBV-XTZNXHDOSA-N	-1	0	310.441	0.491	20	30		DCEDRM
COC(=O)c1ccccc1CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000755808977	668066951	/nfs/dbraw/zinc/06/69/51/668066951.db2.gz	GIPDVNVCZRHTOD-UHFFFAOYSA-N	-1	0	324.358	0.765	20	30		DCEDRM
Cn1cc(C(N)=O)cc1C([O-])=C(C#N)C(=O)NC1CCCCC1	ZINC000756232854	668083120	/nfs/dbraw/zinc/08/31/20/668083120.db2.gz	HDSAELXMKQMRFN-GFCCVEGCSA-N	-1	0	316.361	0.895	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)co1	ZINC000760198690	668263125	/nfs/dbraw/zinc/26/31/25/668263125.db2.gz	ZFIDKSMPKJYUJB-LLVKDONJSA-N	-1	0	322.317	0.931	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1)OCC	ZINC000762129924	668347932	/nfs/dbraw/zinc/34/79/32/668347932.db2.gz	GHMWKYCUBKNBCW-VXGBXAGGSA-N	-1	0	305.396	0.840	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)s1	ZINC000762144170	668349105	/nfs/dbraw/zinc/34/91/05/668349105.db2.gz	YDZFZDDWDMYLEF-QMMMGPOBSA-N	-1	0	300.361	0.716	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCO2	ZINC000763930190	668426465	/nfs/dbraw/zinc/42/64/65/668426465.db2.gz	LRAXXMHMPCLOKF-LLVKDONJSA-N	-1	0	320.349	0.531	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C\c2cn(C3CC3)cn2)c(=O)n(C)c1=O	ZINC000876498173	668456868	/nfs/dbraw/zinc/45/68/68/668456868.db2.gz	QOSHLYNMGGRYOV-UTCJRWHESA-N	-1	0	316.317	0.217	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C1=COCC1	ZINC000766978094	668555525	/nfs/dbraw/zinc/55/55/25/668555525.db2.gz	OTVBTWPOBIPUKK-UHFFFAOYSA-N	-1	0	308.315	0.676	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)COC(C)C	ZINC000766988483	668556263	/nfs/dbraw/zinc/55/62/63/668556263.db2.gz	OXYDMMOPIHGDJB-UHFFFAOYSA-N	-1	0	312.347	0.797	20	30		DCEDRM
COc1cc(C(C)=NN2CC(=O)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000768380518	668606802	/nfs/dbraw/zinc/60/68/02/668606802.db2.gz	PYRNJLLKQOVLNA-UHFFFAOYSA-N	-1	0	322.277	0.927	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1nc2c(s1)COCC2	ZINC000929023340	668645588	/nfs/dbraw/zinc/64/55/88/668645588.db2.gz	WZSVDPRFMFQIGI-UHFFFAOYSA-N	-1	0	311.363	0.998	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H](C)[C@@H]1CCCOC1)C(=O)[O-]	ZINC000929052656	668647998	/nfs/dbraw/zinc/64/79/98/668647998.db2.gz	PRJVIULKTIOCPN-UTUOFQBUSA-N	-1	0	300.355	0.757	20	30		DCEDRM
CC(C)(C)C(=O)Cn1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1	ZINC000769946303	668670225	/nfs/dbraw/zinc/67/02/25/668670225.db2.gz	QQFXDQGXIKWISF-JTQLQIEISA-N	-1	0	317.349	0.494	20	30		DCEDRM
COc1cc(C=NN2C(=O)CNC2=O)ccc1OCC(=O)[O-]	ZINC000770617916	668703207	/nfs/dbraw/zinc/70/32/07/668703207.db2.gz	HUFAMYZBTCXUGJ-UHFFFAOYSA-N	-1	0	307.262	0.044	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000770865287	668720614	/nfs/dbraw/zinc/72/06/14/668720614.db2.gz	FAASHECHLCKZDN-JTQLQIEISA-N	-1	0	316.277	0.507	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CC[C@@H]2CCOC2)CCC1	ZINC000771078869	668730236	/nfs/dbraw/zinc/73/02/36/668730236.db2.gz	QJBXABWQSPULCX-LLVKDONJSA-N	-1	0	300.380	0.943	20	30		DCEDRM
CCNC(=O)CCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771078528	668730257	/nfs/dbraw/zinc/73/02/57/668730257.db2.gz	PUOYGXWNWZYOJY-UHFFFAOYSA-N	-1	0	315.395	0.433	20	30		DCEDRM
Cn1nccc1CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000774035483	668820355	/nfs/dbraw/zinc/82/03/55/668820355.db2.gz	ALLZAHWKSZUOSX-UHFFFAOYSA-N	-1	0	304.331	0.339	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccccc1OCC	ZINC000775302721	668860230	/nfs/dbraw/zinc/86/02/30/668860230.db2.gz	RURYCTOTGWCPKR-UHFFFAOYSA-N	-1	0	311.359	0.930	20	30		DCEDRM
COc1ccc(OCC(=O)[N-]S(=O)(=O)CCCC#N)cc1	ZINC000776122338	668871190	/nfs/dbraw/zinc/87/11/90/668871190.db2.gz	PTBZWJZDKIDRGF-UHFFFAOYSA-N	-1	0	312.347	0.824	20	30		DCEDRM
C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776136926	668871614	/nfs/dbraw/zinc/87/16/14/668871614.db2.gz	PLWYEYISPVPIFN-QWRGUYRKSA-N	-1	0	318.395	0.566	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccccc2)CC1	ZINC000776600200	668879057	/nfs/dbraw/zinc/87/90/57/668879057.db2.gz	IVOVZQSCRKHGSV-NEPJUHHUSA-N	-1	0	324.358	0.396	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000776684505	668880060	/nfs/dbraw/zinc/88/00/60/668880060.db2.gz	ZHRATMVOCOILHE-NSHDSACASA-N	-1	0	303.384	0.653	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000777390860	668886851	/nfs/dbraw/zinc/88/68/51/668886851.db2.gz	BJTCRSAKRFBOOM-CYBMUJFWSA-N	-1	0	312.333	0.408	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)Cc2ccccc2CC#N)n[n-]1	ZINC000777522025	668888353	/nfs/dbraw/zinc/88/83/53/668888353.db2.gz	OEYDVDLCOMEXFS-UHFFFAOYSA-N	-1	0	319.346	0.455	20	30		DCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)CC1	ZINC000779319830	668909878	/nfs/dbraw/zinc/90/98/78/668909878.db2.gz	OBQQMBSIQOBVOU-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000780606802	668999454	/nfs/dbraw/zinc/99/94/54/668999454.db2.gz	YIQDNVGVOQVDEZ-LLVKDONJSA-N	-1	0	324.358	0.828	20	30		DCEDRM
C=CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)cc1	ZINC000781732169	669059211	/nfs/dbraw/zinc/05/92/11/669059211.db2.gz	LLYKLUQPMGXVHQ-UHFFFAOYSA-N	-1	0	322.346	0.499	20	30		DCEDRM
COC(=O)C[C@H](C)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000784118587	669190542	/nfs/dbraw/zinc/19/05/42/669190542.db2.gz	MFXNKBINUMKLSW-QMMMGPOBSA-N	-1	0	318.289	0.549	20	30		DCEDRM
C[C@H]1OCC[C@@H]1C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000784494075	669207357	/nfs/dbraw/zinc/20/73/57/669207357.db2.gz	MEODCQFZKIWUCF-KCJUWKMLSA-N	-1	0	302.290	0.775	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccn(CCOC)n1	ZINC000784486563	669207539	/nfs/dbraw/zinc/20/75/39/669207539.db2.gz	NUZZLDSIJHDCPZ-NSHDSACASA-N	-1	0	308.338	0.005	20	30		DCEDRM
CO[N-]C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000785358339	669250031	/nfs/dbraw/zinc/25/00/31/669250031.db2.gz	IJAKMOJRQKZVQM-UHFFFAOYSA-N	-1	0	303.253	0.499	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F	ZINC000788202206	669422276	/nfs/dbraw/zinc/42/22/76/669422276.db2.gz	CAOGJRUSEOPKCN-ZETCQYMHSA-N	-1	0	314.285	0.172	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(F)(F)F	ZINC000788202204	669422388	/nfs/dbraw/zinc/42/23/88/669422388.db2.gz	CAOGJRUSEOPKCN-SSDOTTSWSA-N	-1	0	314.285	0.172	20	30		DCEDRM
C=CCCc1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cc1	ZINC000882053074	669449242	/nfs/dbraw/zinc/44/92/42/669449242.db2.gz	FQRUVPXWJJPCRS-UHFFFAOYSA-N	-1	0	323.374	0.893	20	30		DCEDRM
COc1c(=O)[nH]c(=O)[nH]c1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000788660689	669453757	/nfs/dbraw/zinc/45/37/57/669453757.db2.gz	LAKIDFKUZWQCJJ-UHFFFAOYSA-N	-1	0	302.246	0.726	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc1	ZINC000789792121	669510152	/nfs/dbraw/zinc/51/01/52/669510152.db2.gz	WREXKGQFZHKKHG-UHFFFAOYSA-N	-1	0	306.303	0.165	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1csc(NC(C)=O)n1	ZINC000791111033	669594247	/nfs/dbraw/zinc/59/42/47/669594247.db2.gz	LQGJTZBBTCDKHW-UHFFFAOYSA-N	-1	0	301.349	0.184	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2C(=O)O1	ZINC000791110631	669594471	/nfs/dbraw/zinc/59/44/71/669594471.db2.gz	GKPRDAKCHNDUOC-LBPRGKRZSA-N	-1	0	307.327	0.237	20	30		DCEDRM
Cn1ncc(C([O-])=C(C#N)C(=O)NC2CC2)c1Br	ZINC000791770754	669629102	/nfs/dbraw/zinc/62/91/02/669629102.db2.gz	DZPHTKLGIXCTHK-SSDOTTSWSA-N	-1	0	311.139	0.784	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)c2cnn(C)n2)n1	ZINC000792536937	669672971	/nfs/dbraw/zinc/67/29/71/669672971.db2.gz	LIRJRLPFVIVSOV-MRVPVSSYSA-N	-1	0	305.319	0.613	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1cccc2c1OCO2	ZINC000810784575	669688756	/nfs/dbraw/zinc/68/87/56/669688756.db2.gz	KFVAGPHEZYJYSE-UHFFFAOYSA-N	-1	0	309.343	0.817	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CC2OCCCO2)c1	ZINC000793139088	669703110	/nfs/dbraw/zinc/70/31/10/669703110.db2.gz	YIWYZXUFJSYBKH-UHFFFAOYSA-N	-1	0	324.358	0.657	20	30		DCEDRM
Cc1ccnc(S(=O)(=O)[N-]C(=O)c2ccnc(C#N)c2)c1	ZINC000796715150	669940334	/nfs/dbraw/zinc/94/03/34/669940334.db2.gz	YXALQCCIHBLFKC-UHFFFAOYSA-N	-1	0	302.315	0.775	20	30		DCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796878777	669945735	/nfs/dbraw/zinc/94/57/35/669945735.db2.gz	QWAWKAJINNHWNU-VIFPVBQESA-N	-1	0	320.330	0.554	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCCOC1CCOCC1	ZINC000797726912	669973950	/nfs/dbraw/zinc/97/39/50/669973950.db2.gz	GKQFVOQWZHKVQM-UHFFFAOYSA-N	-1	0	300.355	0.854	20	30		DCEDRM
COc1cc(C=Nn2c(=O)c(C)n[n-]c2=S)ccc1C#N	ZINC000799469397	670060002	/nfs/dbraw/zinc/06/00/02/670060002.db2.gz	OCWGQFNCCXZXTK-UHFFFAOYSA-N	-1	0	301.331	0.998	20	30		DCEDRM
O=C([O-])c1cc(C=NNCCCN2CCOCC2)ccc1O	ZINC000799488133	670061769	/nfs/dbraw/zinc/06/17/69/670061769.db2.gz	BTRGXZOOTZZXNS-UHFFFAOYSA-N	-1	0	307.350	0.736	20	30		DCEDRM
COCCOc1cncc(C([O-])=C(C#N)C(=O)NC2CC2)c1	ZINC000802040262	670149004	/nfs/dbraw/zinc/14/90/04/670149004.db2.gz	CUFMXHSIOMHMAG-ZDUSSCGKSA-N	-1	0	303.318	0.708	20	30		DCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccnc2c1nnn2C	ZINC000802039681	670149075	/nfs/dbraw/zinc/14/90/75/670149075.db2.gz	QYKWTIWAFJEMSQ-LLVKDONJSA-N	-1	0	314.349	0.992	20	30		DCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810518738	670488162	/nfs/dbraw/zinc/48/81/62/670488162.db2.gz	QGUWYQXJOGNTGV-UHFFFAOYSA-N	-1	0	319.346	0.422	20	30		DCEDRM
COc1ccc(CNC(=O)C(C#N)=C([O-])c2ncn(C)n2)cc1	ZINC000810535688	670488821	/nfs/dbraw/zinc/48/88/21/670488821.db2.gz	GPBLGHUAZHHXMS-LBPRGKRZSA-N	-1	0	313.317	0.463	20	30		DCEDRM
N#CCOc1cccc(CC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1	ZINC000810585433	670490856	/nfs/dbraw/zinc/49/08/56/670490856.db2.gz	UNMQSWOXZXULQD-ZDUSSCGKSA-N	-1	0	324.358	0.366	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccnc2ccncc21	ZINC000810655011	670492909	/nfs/dbraw/zinc/49/29/09/670492909.db2.gz	FJFDZAWEYPLSET-UHFFFAOYSA-N	-1	0	304.331	0.993	20	30		DCEDRM
Cn1cnc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)n1	ZINC000810707984	670494427	/nfs/dbraw/zinc/49/44/27/670494427.db2.gz	ILEAEJQRRMXWAR-VIFPVBQESA-N	-1	0	319.271	0.732	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCCN1C(=O)C(C)C	ZINC000810772269	670496642	/nfs/dbraw/zinc/49/66/42/670496642.db2.gz	YAXGPVUPJHQSIO-GFCCVEGCSA-N	-1	0	314.407	0.493	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccn2)c1C	ZINC000810774677	670496894	/nfs/dbraw/zinc/49/68/94/670496894.db2.gz	MGTCPTMOLFXUAJ-UHFFFAOYSA-N	-1	0	318.358	0.659	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc2cc(C)nn2c1C	ZINC000810773422	670496909	/nfs/dbraw/zinc/49/69/09/670496909.db2.gz	DLWQDFWZQGFIRH-UHFFFAOYSA-N	-1	0	306.347	0.429	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)OC)C1	ZINC000810774549	670496989	/nfs/dbraw/zinc/49/69/89/670496989.db2.gz	JXGDMMOWWSWUKA-WDEREUQCSA-N	-1	0	301.364	0.435	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C1CCCCC1	ZINC000810778015	670497179	/nfs/dbraw/zinc/49/71/79/670497179.db2.gz	LPQLUPFRVSJEFH-LLVKDONJSA-N	-1	0	314.407	0.541	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC000810778919	670497382	/nfs/dbraw/zinc/49/73/82/670497382.db2.gz	RGTXZUISERCXBR-JTQLQIEISA-N	-1	0	300.380	0.103	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1nc(C(C)(C)C)no1	ZINC000810779477	670497421	/nfs/dbraw/zinc/49/74/21/670497421.db2.gz	OIZPIOUOWZXNBH-UHFFFAOYSA-N	-1	0	313.379	0.769	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc2nccnc2cc1F	ZINC000810779026	670497546	/nfs/dbraw/zinc/49/75/46/670497546.db2.gz	VREVUSGNLAAIJW-UHFFFAOYSA-N	-1	0	307.306	0.852	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1ccc2c(c1)OCCO2	ZINC000810786268	670498047	/nfs/dbraw/zinc/49/80/47/670498047.db2.gz	AVMCRZVSGYWPJW-UHFFFAOYSA-N	-1	0	323.370	0.860	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)cc2)CC1	ZINC000810982653	670501771	/nfs/dbraw/zinc/50/17/71/670501771.db2.gz	WLFIVUGTADEMGY-UHFFFAOYSA-N	-1	0	308.359	0.954	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccnc3c2nnn3C)CC1	ZINC000810983909	670501884	/nfs/dbraw/zinc/50/18/84/670501884.db2.gz	LGKYAEXRVPGCHE-UHFFFAOYSA-N	-1	0	321.362	0.532	20	30		DCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1	ZINC000853972885	670510410	/nfs/dbraw/zinc/51/04/10/670510410.db2.gz	PSZSYQXSUIUZPJ-UHFFFAOYSA-N	-1	0	324.337	0.397	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2ccsc2C(N)=O)c1	ZINC000811687767	670541775	/nfs/dbraw/zinc/54/17/75/670541775.db2.gz	JHCKOBXKEASVRP-UHFFFAOYSA-N	-1	0	308.344	0.914	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc2c(n1)OCCO2	ZINC000847621067	670582899	/nfs/dbraw/zinc/58/28/99/670582899.db2.gz	HNTKYJANYLWAJQ-JTQLQIEISA-N	-1	0	319.317	0.328	20	30		DCEDRM
CN(C)c1cnc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cn1	ZINC000847685314	670590514	/nfs/dbraw/zinc/59/05/14/670590514.db2.gz	IDXXOSIYMAMDPY-UHFFFAOYSA-N	-1	0	323.378	0.296	20	30		DCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000813070152	670608828	/nfs/dbraw/zinc/60/88/28/670608828.db2.gz	PXPYBQLJVBHBBL-UHFFFAOYSA-N	-1	0	321.358	0.471	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000813954915	670665831	/nfs/dbraw/zinc/66/58/31/670665831.db2.gz	VKCZQLZILLIRFB-UHFFFAOYSA-N	-1	0	308.319	0.620	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983298	670667681	/nfs/dbraw/zinc/66/76/81/670667681.db2.gz	OWFSRURXFRLZQK-CQSZACIVSA-N	-1	0	323.374	0.987	20	30		DCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)ccn1C	ZINC000813982398	670667738	/nfs/dbraw/zinc/66/77/38/670667738.db2.gz	ZGDQPSLDBICOLH-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
CSCCNC(=S)NN=Cc1c(C(=O)[O-])cnn1C	ZINC000848406438	670679096	/nfs/dbraw/zinc/67/90/96/670679096.db2.gz	DMJPAFUGYYYVDM-UHFFFAOYSA-N	-1	0	301.397	0.279	20	30		DCEDRM
COC(=O)c1ccc2[nH]cc(C=Nn3c(=O)[n-][nH]c3=O)c2c1	ZINC000814233457	670681923	/nfs/dbraw/zinc/68/19/23/670681923.db2.gz	QJSUMNJJLUWGAT-UHFFFAOYSA-N	-1	0	301.262	0.839	20	30		DCEDRM
CC(=NN[C@@H]1CCS(=O)(=O)C1)c1csc(C(=O)[O-])c1	ZINC000814680267	670701983	/nfs/dbraw/zinc/70/19/83/670701983.db2.gz	IQWINOZQACSWFV-SECBINFHSA-N	-1	0	302.377	0.947	20	30		DCEDRM
C[C@@H]1C(=NNC(=S)NCC(N)=O)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814844370	670704712	/nfs/dbraw/zinc/70/47/12/670704712.db2.gz	HGUKYWHYFZHDPY-SFYZADRCSA-N	-1	0	314.411	0.449	20	30		DCEDRM
C=C(Br)CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000848609176	670704959	/nfs/dbraw/zinc/70/49/59/670704959.db2.gz	JBXGGEWRKSAYSA-QMMMGPOBSA-N	-1	0	321.171	0.484	20	30		DCEDRM
CO[C@@H]1CS(=O)(=O)C[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000849170832	670763076	/nfs/dbraw/zinc/76/30/76/670763076.db2.gz	VHAMICFIWYFNKO-QUJBFXQFSA-N	-1	0	314.319	0.531	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(OC)c1F	ZINC000849218369	670765920	/nfs/dbraw/zinc/76/59/20/670765920.db2.gz	AWMMCOSPGCFQKO-UHFFFAOYSA-N	-1	0	301.295	0.543	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H](OC)c1ccccc1	ZINC000849219578	670766818	/nfs/dbraw/zinc/76/68/18/670766818.db2.gz	QFHWRNHIQPOJNW-ZDUSSCGKSA-N	-1	0	311.359	0.724	20	30		DCEDRM
Cn1ncc(C2CC2)c1/C=C/C(=O)c1cn(CC(=O)[O-])nn1	ZINC000849250583	670768700	/nfs/dbraw/zinc/76/87/00/670768700.db2.gz	USXTXVZHOPJWTK-SNAWJCMRSA-N	-1	0	301.306	0.870	20	30		DCEDRM
O=C([O-])Cn1cc(C(=O)/C=C\c2cn(C3CCC3)nn2)nn1	ZINC000849250332	670768855	/nfs/dbraw/zinc/76/88/55/670768855.db2.gz	QXVNCIQAZFWNLL-PLNGDYQASA-N	-1	0	302.294	0.575	20	30		DCEDRM
C#CC[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	ZINC000849331962	670777900	/nfs/dbraw/zinc/77/79/00/670777900.db2.gz	GOKHQBLKDSYLCR-CHWSQXEVSA-N	-1	0	314.407	0.763	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1	ZINC000856032725	670778106	/nfs/dbraw/zinc/77/81/06/670778106.db2.gz	UMBFAQSXQQXLLQ-GFCCVEGCSA-N	-1	0	320.349	0.801	20	30		DCEDRM
C#CC[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC000849331965	670778165	/nfs/dbraw/zinc/77/81/65/670778165.db2.gz	GOKHQBLKDSYLCR-STQMWFEESA-N	-1	0	314.407	0.763	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000816014642	670779517	/nfs/dbraw/zinc/77/95/17/670779517.db2.gz	ILTVKQOWOSSWMP-UHFFFAOYSA-N	-1	0	304.331	0.625	20	30		DCEDRM
C#C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])[C@@H]1CCCO1	ZINC000849387117	670786064	/nfs/dbraw/zinc/78/60/64/670786064.db2.gz	JTTSAZUNYLCDGY-ONGXEEELSA-N	-1	0	311.319	0.449	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cocn1	ZINC000816127270	670788882	/nfs/dbraw/zinc/78/88/82/670788882.db2.gz	MTZZQIVJQKJXQO-UHFFFAOYSA-N	-1	0	322.258	0.573	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC000816206965	670791505	/nfs/dbraw/zinc/79/15/05/670791505.db2.gz	JPEPVHITAFAVPA-UHFFFAOYSA-N	-1	0	311.363	0.664	20	30		DCEDRM
C#CCCCCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000817111161	670895584	/nfs/dbraw/zinc/89/55/84/670895584.db2.gz	VKMAVTZUEMDRKI-UHFFFAOYSA-N	-1	0	302.330	0.921	20	30		DCEDRM
N#CC1CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1	ZINC000817558421	670924257	/nfs/dbraw/zinc/92/42/57/670924257.db2.gz	HDQKJQCXLSRWSF-UHFFFAOYSA-N	-1	0	300.343	0.667	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1c(Cl)cnn1C	ZINC000850751411	670937736	/nfs/dbraw/zinc/93/77/36/670937736.db2.gz	BOXUPMHQWJCCFC-VIFPVBQESA-N	-1	0	312.757	0.939	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000817865723	670949582	/nfs/dbraw/zinc/94/95/82/670949582.db2.gz	XOAMKJRMSMQIGG-MWLCHTKSSA-N	-1	0	323.374	0.753	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1	ZINC000817900517	670951169	/nfs/dbraw/zinc/95/11/69/670951169.db2.gz	ULEVSKIVFBAFBQ-LSDHHAIUSA-N	-1	0	307.350	0.462	20	30		DCEDRM
COC(=O)c1cc(C(=O)[N-]S(=O)(=O)CCCC#N)c(C)o1	ZINC000850927087	670955361	/nfs/dbraw/zinc/95/53/61/670955361.db2.gz	YTXGJYLDQTXAFM-UHFFFAOYSA-N	-1	0	314.319	0.738	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)CCCC#N)ccc1C#N	ZINC000850926402	670955402	/nfs/dbraw/zinc/95/54/02/670955402.db2.gz	MBVHRYQCXXOZST-UHFFFAOYSA-N	-1	0	307.331	0.930	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000850933839	670955700	/nfs/dbraw/zinc/95/57/00/670955700.db2.gz	JVBVRDMOUYIQAP-NEPJUHHUSA-N	-1	0	318.395	0.082	20	30		DCEDRM
CCc1c[nH]c(=O)c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000850940140	670956199	/nfs/dbraw/zinc/95/61/99/670956199.db2.gz	JGPUYIXYVRBVRD-UHFFFAOYSA-N	-1	0	309.347	0.713	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12	ZINC000851000374	670960209	/nfs/dbraw/zinc/96/02/09/670960209.db2.gz	UIJIIVFYRMTDGD-TUAOUCFPSA-N	-1	0	312.391	0.151	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21	ZINC000850999922	670960211	/nfs/dbraw/zinc/96/02/11/670960211.db2.gz	MSILMOBLNVLWJR-IJLUTSLNSA-N	-1	0	312.391	0.151	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cnc3n2CCOC3)CC1	ZINC000851032525	670963019	/nfs/dbraw/zinc/96/30/19/670963019.db2.gz	SIPXJQVXLMCOBE-UHFFFAOYSA-N	-1	0	311.363	0.582	20	30		DCEDRM
CCOCC(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000851192897	670972761	/nfs/dbraw/zinc/97/27/61/670972761.db2.gz	VPNGIFYPUWHCMU-UHFFFAOYSA-N	-1	0	300.311	0.680	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851500847	670993159	/nfs/dbraw/zinc/99/31/59/670993159.db2.gz	XPRYIBYJEUWXSG-JTQLQIEISA-N	-1	0	309.384	0.075	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc2c(cn1)OCCO2	ZINC000819941277	671148561	/nfs/dbraw/zinc/14/85/61/671148561.db2.gz	JDDSGFRACKWSTJ-JTQLQIEISA-N	-1	0	319.317	0.328	20	30		DCEDRM
Cc1nn(CC(F)(F)F)cc1C(=O)N[C@@H]1CCN(O)C1=O	ZINC000820147927	671171871	/nfs/dbraw/zinc/17/18/71/671171871.db2.gz	AUZIIFBMJINREM-MRVPVSSYSA-N	-1	0	306.244	0.474	20	30		DCEDRM
COc1ccn2c(c1)ncc2C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000820510677	671207321	/nfs/dbraw/zinc/20/73/21/671207321.db2.gz	WQWAKGZFAQEZPI-UHFFFAOYSA-N	-1	0	322.346	0.706	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\c2ccc(C(N)=O)o2)CC1	ZINC000853114955	671209346	/nfs/dbraw/zinc/20/93/46/671209346.db2.gz	BMXWODXGYZJDNT-RQOWECAXSA-N	-1	0	323.330	0.141	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccnc2ccnn21	ZINC000860462057	671211003	/nfs/dbraw/zinc/21/10/03/671211003.db2.gz	PUEJNRUQNSLOGI-NSHDSACASA-N	-1	0	315.333	0.595	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cncc(N2CCCC2=O)c1	ZINC000860470738	671212191	/nfs/dbraw/zinc/21/21/91/671212191.db2.gz	UWIKOWBRIMZAIG-ZDUSSCGKSA-N	-1	0	312.329	0.833	20	30		DCEDRM
COC[C@H](CS(=O)(=O)[N-]C(=O)CCCCCC#N)OC	ZINC000853209108	671219724	/nfs/dbraw/zinc/21/97/24/671219724.db2.gz	YQOVEJBACFDHGF-LLVKDONJSA-N	-1	0	306.384	0.568	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000853350976	671228738	/nfs/dbraw/zinc/22/87/38/671228738.db2.gz	RDRKWRWPOGKNOB-CYBMUJFWSA-N	-1	0	304.346	0.089	20	30		DCEDRM
CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C(C)C	ZINC000860672306	671229123	/nfs/dbraw/zinc/22/91/23/671229123.db2.gz	SEHRTFPNYMKWAJ-LLVKDONJSA-N	-1	0	315.395	0.287	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C/c2ccccc2F)c(=O)n(C)c1=O	ZINC000821012984	671245816	/nfs/dbraw/zinc/24/58/16/671245816.db2.gz	SGDKKGXMUJLCKQ-BQYQJAHWSA-N	-1	0	304.277	0.825	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C\c2cccc(F)c2)c(=O)n(C)c1=O	ZINC000821012827	671245880	/nfs/dbraw/zinc/24/58/80/671245880.db2.gz	OUKJXAIXEPNRHJ-SREVYHEPSA-N	-1	0	304.277	0.825	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C/c2ccc(F)cc2)c(=O)n(C)c1=O	ZINC000821013327	671246258	/nfs/dbraw/zinc/24/62/58/671246258.db2.gz	YVSNLJJTHCTVMR-VMPITWQZSA-N	-1	0	304.277	0.825	20	30		DCEDRM
COC(=O)c1ccc(/C=C/C(=O)c2cnc([O-])n(C)c2=O)n1C	ZINC000821040323	671247862	/nfs/dbraw/zinc/24/78/62/671247862.db2.gz	XSEHQEQCYRVXGK-FNORWQNLSA-N	-1	0	317.301	0.507	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)/C=C\[C@H]2CCCO2)c1	ZINC000821192235	671260490	/nfs/dbraw/zinc/26/04/90/671260490.db2.gz	IJTRRCZHWZGNPF-DLRQAJBASA-N	-1	0	307.331	0.493	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccnc(-n2ccnc2)c1	ZINC000821582198	671284414	/nfs/dbraw/zinc/28/44/14/671284414.db2.gz	GRJZRTQEDAYVNH-UHFFFAOYSA-N	-1	0	305.319	0.241	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccn(-c2ccc(F)cc2)n1	ZINC000821583872	671284617	/nfs/dbraw/zinc/28/46/17/671284617.db2.gz	KCFGLEUTVOQAPY-UHFFFAOYSA-N	-1	0	322.321	0.985	20	30		DCEDRM
CCN(C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N)c1ccccc1	ZINC000825377235	671458519	/nfs/dbraw/zinc/45/85/19/671458519.db2.gz	YLIXYRKWXKAONE-UHFFFAOYSA-N	-1	0	322.332	0.988	20	30		DCEDRM
Cc1cccn2cc(Cn3cnc(-c4nnn[n-]4)c3C#N)nc12	ZINC000826308117	671483246	/nfs/dbraw/zinc/48/32/46/671483246.db2.gz	KKHRULJBZWAIGT-UHFFFAOYSA-N	-1	0	305.305	0.939	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccnc(C3CC3)c2)[n-]c1-c1nn[nH]n1	ZINC000826382730	671486793	/nfs/dbraw/zinc/48/67/93/671486793.db2.gz	RXOTUXNQTHQINQ-UHFFFAOYSA-N	-1	0	321.304	0.986	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc3cc[nH]c3n2)[n-]c1-c1nn[nH]n1	ZINC000826382430	671487248	/nfs/dbraw/zinc/48/72/48/671487248.db2.gz	DPYHTAKUMIJKPH-UHFFFAOYSA-N	-1	0	320.276	0.590	20	30		DCEDRM
C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000827213597	671518525	/nfs/dbraw/zinc/51/85/25/671518525.db2.gz	OKMRYTNRUPCSIK-SNVBAGLBSA-N	-1	0	305.338	0.125	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CCC#N)CC1	ZINC000827483260	671529279	/nfs/dbraw/zinc/52/92/79/671529279.db2.gz	GMOHGZRSYVFOJL-UHFFFAOYSA-N	-1	0	320.315	0.501	20	30		DCEDRM
C=CCc1cc(C(=O)NCC(=O)[N-]OC)cc(OC)c1OC	ZINC000832776150	671741455	/nfs/dbraw/zinc/74/14/55/671741455.db2.gz	HUYDRPLMIBIYEB-UHFFFAOYSA-N	-1	0	308.334	0.840	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2cc(C#N)[nH]c2C)cn1	ZINC000835203519	671790894	/nfs/dbraw/zinc/79/08/94/671790894.db2.gz	IZAXNQQQIMRCHB-UHFFFAOYSA-N	-1	0	307.335	0.530	20	30		DCEDRM
CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000835409725	671795508	/nfs/dbraw/zinc/79/55/08/671795508.db2.gz	KJAMIKKTTQFRMB-UHFFFAOYSA-N	-1	0	310.331	0.837	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)CCc1scnc1C	ZINC000835415235	671795947	/nfs/dbraw/zinc/79/59/47/671795947.db2.gz	CSMOYTLYQMIKII-SNVBAGLBSA-N	-1	0	316.404	0.478	20	30		DCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cccc2nonc21	ZINC000837292368	671854900	/nfs/dbraw/zinc/85/49/00/671854900.db2.gz	PPKFHZBDPBNGDG-QMMMGPOBSA-N	-1	0	311.319	0.921	20	30		DCEDRM
C[C@H](O)CNN=C1C(=O)Nc2cc([O-])c(Br)cc21	ZINC000841639791	671945823	/nfs/dbraw/zinc/94/58/23/671945823.db2.gz	DJUCVLABSBMQQV-YFKPBYRVSA-N	-1	0	314.139	0.781	20	30		DCEDRM
C[C@@H](O)CNN=C1C(=O)Nc2cc([O-])c(Br)cc21	ZINC000841639787	671946338	/nfs/dbraw/zinc/94/63/38/671946338.db2.gz	DJUCVLABSBMQQV-RXMQYKEDSA-N	-1	0	314.139	0.781	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc2cc[nH]c(=O)c2s1	ZINC000842683751	672028566	/nfs/dbraw/zinc/02/85/66/672028566.db2.gz	BQHUWGPOWCNHRZ-VIFPVBQESA-N	-1	0	319.342	0.675	20	30		DCEDRM
C[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)CCCC#N)c2C1	ZINC000842752121	672034219	/nfs/dbraw/zinc/03/42/19/672034219.db2.gz	HWNDIWNZKGGCRI-JTQLQIEISA-N	-1	0	310.379	0.829	20	30		DCEDRM
O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nncs1	ZINC000843759344	672118679	/nfs/dbraw/zinc/11/86/79/672118679.db2.gz	MZYVLPJHDOQLAF-UHFFFAOYSA-N	-1	0	323.359	0.215	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)[O-]	ZINC000844787810	672202682	/nfs/dbraw/zinc/20/26/82/672202682.db2.gz	ZWBAPJQQQKSNBT-QWRGUYRKSA-N	-1	0	303.384	0.722	20	30		DCEDRM
CCOC[C@H](C)CS(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844816831	672204742	/nfs/dbraw/zinc/20/47/42/672204742.db2.gz	PWXATTNJGRIZOT-LBPRGKRZSA-N	-1	0	317.407	0.789	20	30		DCEDRM
CCOC[C@@H](C)CS(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844816830	672204746	/nfs/dbraw/zinc/20/47/46/672204746.db2.gz	PWXATTNJGRIZOT-GFCCVEGCSA-N	-1	0	317.407	0.789	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2COCO2)c(F)c1	ZINC000867398141	672277520	/nfs/dbraw/zinc/27/75/20/672277520.db2.gz	UIPBCYWGVFHYHC-MRVPVSSYSA-N	-1	0	304.274	0.488	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2	ZINC000846151149	672297351	/nfs/dbraw/zinc/29/73/51/672297351.db2.gz	WSZCZXYJKRSLGR-VIFPVBQESA-N	-1	0	319.317	0.968	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C	ZINC000846155574	672297788	/nfs/dbraw/zinc/29/77/88/672297788.db2.gz	HLNKRMGZKAVWOJ-VIFPVBQESA-N	-1	0	319.317	0.603	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000846536426	672326021	/nfs/dbraw/zinc/32/60/21/672326021.db2.gz	KXTZECHBVSWUOR-LLVKDONJSA-N	-1	0	323.374	0.849	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1	ZINC000846556236	672327279	/nfs/dbraw/zinc/32/72/79/672327279.db2.gz	ZWMJYEVENPMKLX-SECBINFHSA-N	-1	0	310.310	0.316	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)c1nc[n-]c(=O)c1Br	ZINC001626046733	1158619110	/nfs/dbraw/zinc/61/91/10/1158619110.db2.gz	LUIGABKJDLIRRI-SSDOTTSWSA-N	-1	0	314.139	0.449	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)c1[O-]	ZINC000958367784	687590253	/nfs/dbraw/zinc/59/02/53/687590253.db2.gz	AQKSRYONLIGCMD-NQMVMOMDSA-N	-1	0	305.338	0.160	20	30		DCEDRM
C=C1CCC(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)CC1	ZINC001038661614	694153770	/nfs/dbraw/zinc/15/37/70/694153770.db2.gz	LSMCTKRNMQQPBQ-LBPRGKRZSA-N	-1	0	305.382	0.947	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001008582092	690894308	/nfs/dbraw/zinc/89/43/08/690894308.db2.gz	LLKPTICDDOWADM-TUAOUCFPSA-N	-1	0	321.381	0.182	20	30		DCEDRM
C=C1CCC(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001015659709	692384645	/nfs/dbraw/zinc/38/46/45/692384645.db2.gz	IMZLWYKMGCGXKM-GFCCVEGCSA-N	-1	0	305.382	0.947	20	30		DCEDRM
C#CCCN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21	ZINC001074219901	694843396	/nfs/dbraw/zinc/84/33/96/694843396.db2.gz	YURGAKPOGANVJO-QWHCGFSZSA-N	-1	0	318.377	0.362	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C(=O)C#CC2CC2)C2CC2)c1[O-]	ZINC001745507813	1158032407	/nfs/dbraw/zinc/03/24/07/1158032407.db2.gz	WYPQZVVBBYQCNV-UHFFFAOYSA-N	-1	0	316.361	0.558	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001569904332	1161310906	/nfs/dbraw/zinc/31/09/06/1161310906.db2.gz	JIAVIKKDJCJUJK-VXGBXAGGSA-N	-1	0	321.381	0.278	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C(=O)[O-]	ZINC001573308495	1161557901	/nfs/dbraw/zinc/55/79/01/1161557901.db2.gz	XUQBODCDUNEJDI-SFYZADRCSA-N	-1	0	314.729	0.258	20	30		DCEDRM
C#CCCCCC(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])CC1(C)C	ZINC001573303612	1163412621	/nfs/dbraw/zinc/41/26/21/1163412621.db2.gz	QFXMQLWQDXDPQM-GFCCVEGCSA-N	-1	0	323.393	0.801	20	30		DCEDRM
C[C@@H](NC(=O)[C@]1(C#N)CC2CCC1CC2)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001573553558	1163494331	/nfs/dbraw/zinc/49/43/31/1163494331.db2.gz	MAJQCZTYUFMAIL-NYLCYHMSSA-N	-1	0	321.377	0.800	20	30		DCEDRM
Cc1c(C(=O)N[C@@H](C)c2nc(C(=O)[O-])n[nH]2)cnn1CCC#N	ZINC001574113160	1163639863	/nfs/dbraw/zinc/63/98/63/1163639863.db2.gz	LXWQHJKLFHNWHN-ZETCQYMHSA-N	-1	0	317.309	0.413	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)c1	ZINC001574127541	1163643239	/nfs/dbraw/zinc/64/32/39/1163643239.db2.gz	MUHRZUCREPGUDI-YPMHNXCESA-N	-1	0	318.333	0.959	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)s1	ZINC001574245272	1163672534	/nfs/dbraw/zinc/67/25/34/1163672534.db2.gz	JQJLDNAENIVBRS-VXGBXAGGSA-N	-1	0	317.326	0.931	20	30		DCEDRM
N#Cc1cnc(C(=O)NCc2nc(C(=O)[O-])n[nH]2)c(Cl)c1	ZINC001574248096	1163673790	/nfs/dbraw/zinc/67/37/90/1163673790.db2.gz	CHEVSLYVYRRGMN-UHFFFAOYSA-N	-1	0	306.669	0.353	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)c1	ZINC001574249972	1163675012	/nfs/dbraw/zinc/67/50/12/1163675012.db2.gz	PKMNVCDGAJEWGN-KBPBESRZSA-N	-1	0	311.297	0.870	20	30		DCEDRM
C[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)[C@@H](O)C(F)(F)F	ZINC001575444919	1164016765	/nfs/dbraw/zinc/01/67/65/1164016765.db2.gz	NOHBUUFDUPUPEZ-SPGJFGJESA-N	-1	0	314.231	0.252	20	30		DCEDRM
C[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1nnc2n1CCC2	ZINC001575445961	1164018211	/nfs/dbraw/zinc/01/82/11/1164018211.db2.gz	SKXGEIWLEIQRII-SSDOTTSWSA-N	-1	0	323.324	0.239	20	30		DCEDRM
CC1(C)CN(CC#N)C[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001575712156	1164116118	/nfs/dbraw/zinc/11/61/18/1164116118.db2.gz	FDBQMGQDXQWTFF-NSHDSACASA-N	-1	0	314.353	0.159	20	30		DCEDRM
CC[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1noc(C)n1	ZINC001576998721	1164577749	/nfs/dbraw/zinc/57/77/49/1164577749.db2.gz	HARYBFKPEXGBCE-ZETCQYMHSA-N	-1	0	312.297	0.783	20	30		DCEDRM
CCN(CC)C(=O)CSc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001577879788	1164823285	/nfs/dbraw/zinc/82/32/85/1164823285.db2.gz	NEPBOEAUGXRHLP-UHFFFAOYSA-N	-1	0	318.366	0.489	20	30		DCEDRM
C#CCOCCC(=O)N[C@H]1CCN(C(=O)c2ncccc2O)C1	ZINC001578359928	1164983922	/nfs/dbraw/zinc/98/39/22/1164983922.db2.gz	FUYVODOSRBYQFX-LBPRGKRZSA-N	-1	0	317.345	0.158	20	30		DCEDRM
Cc1c(-c2nn[nH]n2)c(NC(=O)Cc2ccc(C#N)nc2)nn1C	ZINC001580524106	1165629947	/nfs/dbraw/zinc/62/99/47/1165629947.db2.gz	SWUDKJQOUSGWDY-UHFFFAOYSA-N	-1	0	323.320	0.357	20	30		DCEDRM
N#CCN1CCC(CNc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1	ZINC001581858099	1165889930	/nfs/dbraw/zinc/88/99/30/1165889930.db2.gz	QITPIDZXQOSLOE-UHFFFAOYSA-N	-1	0	324.352	0.176	20	30		DCEDRM
N#Cc1ncc(N2CCCCC[C@@H]2CCO)nc1-c1nnn[n-]1	ZINC001581881858	1165900753	/nfs/dbraw/zinc/90/07/53/1165900753.db2.gz	CQXPYVGJUQCDIQ-SNVBAGLBSA-N	-1	0	314.353	0.660	20	30		DCEDRM
O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1CC#Cc1ccc(F)cc1	ZINC001582805998	1166087185	/nfs/dbraw/zinc/08/71/85/1166087185.db2.gz	BTOWZSFDWOZOFG-UHFFFAOYSA-N	-1	0	312.264	0.320	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1O	ZINC001587447671	1166507013	/nfs/dbraw/zinc/50/70/13/1166507013.db2.gz	XKHPRNRIODTNKH-SECBINFHSA-N	-1	0	314.301	0.404	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)N1CCc2ccc(C(=O)[O-])nc2C1	ZINC001588395536	1166549759	/nfs/dbraw/zinc/54/97/59/1166549759.db2.gz	RWHFWCRQAUQVNN-LBPRGKRZSA-N	-1	0	317.345	0.886	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(CN2CCOCC2)o1)C(=O)[O-]	ZINC001588414648	1166551028	/nfs/dbraw/zinc/55/10/28/1166551028.db2.gz	PIJXSRJQFVEESA-GFCCVEGCSA-N	-1	0	306.318	0.318	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(=O)n(-c2ccccc2)n1)C(=O)[O-]	ZINC001588414367	1166552241	/nfs/dbraw/zinc/55/22/41/1166552241.db2.gz	LVAUGESITJHIOP-CYBMUJFWSA-N	-1	0	311.297	0.439	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1	ZINC001588419816	1166553181	/nfs/dbraw/zinc/55/31/81/1166553181.db2.gz	UOPDQYFLVAJKJD-JTQLQIEISA-N	-1	0	316.369	0.352	20	30		DCEDRM
C=CC[C@@H]1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1	ZINC001588563921	1166561780	/nfs/dbraw/zinc/56/17/80/1166561780.db2.gz	FFDGQKDFOFOYKH-SNVBAGLBSA-N	-1	0	320.378	0.848	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1	ZINC001588737537	1166583017	/nfs/dbraw/zinc/58/30/17/1166583017.db2.gz	FXQGMSHUXNEBKU-SNVBAGLBSA-N	-1	0	318.312	0.902	20	30		DCEDRM
CCC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC001590636108	1166957752	/nfs/dbraw/zinc/95/77/52/1166957752.db2.gz	VMTLKVKIVSIDAN-VIFPVBQESA-N	-1	0	315.341	0.274	20	30		DCEDRM
CN(Cc1cccc(O)c1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001591147295	1167116713	/nfs/dbraw/zinc/11/67/13/1167116713.db2.gz	DLWZLHQCKQBSAQ-UHFFFAOYSA-N	-1	0	308.305	0.870	20	30		DCEDRM
CO[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC[C@H]1C	ZINC001591360016	1167232592	/nfs/dbraw/zinc/23/25/92/1167232592.db2.gz	GRJBUGBJXSHMIK-PSASIEDQSA-N	-1	0	300.326	0.390	20	30		DCEDRM
COCCON=C1CCCc2c1c[nH]c(=O)c2-c1nnn[n-]1	ZINC001591439605	1167289468	/nfs/dbraw/zinc/28/94/68/1167289468.db2.gz	ONKQWQIWZFQFJV-UHFFFAOYSA-N	-1	0	304.310	0.671	20	30		DCEDRM
CON(C)C(=O)CCC(C)N=Nc1oc(C)nc1-c1nnn[n-]1	ZINC001591462459	1167297710	/nfs/dbraw/zinc/29/77/10/1167297710.db2.gz	IYXFLRVWNPLMJS-UHFFFAOYSA-N	-1	0	322.329	0.751	20	30		DCEDRM
Cn1cc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)c(C(F)F)n1	ZINC001592576889	1167568057	/nfs/dbraw/zinc/56/80/57/1167568057.db2.gz	XGQWLYNVHQRCHL-UHFFFAOYSA-N	-1	0	320.267	0.236	20	30		DCEDRM
N#Cc1ccc(OCCCn2cncc(-c3nnn[n-]3)c2=O)cc1	ZINC001592695768	1167602181	/nfs/dbraw/zinc/60/21/81/1167602181.db2.gz	KMAXGEDYBCJBQT-UHFFFAOYSA-N	-1	0	323.316	0.764	20	30		DCEDRM
N#Cc1ccc(CC(=O)Cn2cc(-c3nnn[n-]3)ccc2=O)cc1	ZINC001592691837	1167602673	/nfs/dbraw/zinc/60/26/73/1167602673.db2.gz	DXIVQKRURICEQB-UHFFFAOYSA-N	-1	0	320.312	0.712	20	30		DCEDRM
N#Cc1ncc(N2CCCc3n[nH]cc3C2)nc1-c1nnn[n-]1	ZINC001592708221	1167607098	/nfs/dbraw/zinc/60/70/98/1167607098.db2.gz	BPNUIDCFASMECE-UHFFFAOYSA-N	-1	0	308.309	0.204	20	30		DCEDRM
N#Cc1ncc(NCCCC2(O)CCC2)nc1-c1nnn[n-]1	ZINC001592709827	1167610492	/nfs/dbraw/zinc/61/04/92/1167610492.db2.gz	DTUMUVBSJPCJSN-UHFFFAOYSA-N	-1	0	300.326	0.635	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2cc(C#N)oc2C)[C@H](C(=O)[O-])C1	ZINC001598799327	1168038708	/nfs/dbraw/zinc/03/87/08/1168038708.db2.gz	TXJMNFBRTPNSHI-SKDRFNHKSA-N	-1	0	320.301	0.938	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])Cc1c(C#N)cccc1[N+](=O)[O-]	ZINC001598861936	1168050562	/nfs/dbraw/zinc/05/05/62/1168050562.db2.gz	VWXBYXNTLFTLEZ-UHFFFAOYSA-N	-1	0	307.262	0.526	20	30		DCEDRM
Cc1c(I)cn(CC(=O)[O-])c(=O)c1C#N	ZINC001600023040	1168100457	/nfs/dbraw/zinc/10/04/57/1168100457.db2.gz	CBDJUEHHNCFMBL-UHFFFAOYSA-N	-1	0	318.070	0.718	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC001600075975	1168112327	/nfs/dbraw/zinc/11/23/27/1168112327.db2.gz	GYUXBQCGFNRRSN-LBPRGKRZSA-N	-1	0	319.317	0.644	20	30		DCEDRM
Cc1cc(NC(=O)N[C@H]2CCCN(O)C2=O)ncc1C(=O)[O-]	ZINC001600267924	1168153780	/nfs/dbraw/zinc/15/37/80/1168153780.db2.gz	BDWWTJNLVLKJIR-VIFPVBQESA-N	-1	0	308.294	0.590	20	30		DCEDRM
Cc1ccc(C(=O)/C=C/C(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1	ZINC001600329222	1168164914	/nfs/dbraw/zinc/16/49/14/1168164914.db2.gz	NTMJGMCONHTOSY-MOEXGYKKSA-N	-1	0	303.314	0.782	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC(O)(CC#N)C1	ZINC001600362840	1168173952	/nfs/dbraw/zinc/17/39/52/1168173952.db2.gz	RKHGGRJTTPLANE-UHFFFAOYSA-N	-1	0	310.331	0.342	20	30		DCEDRM
Cc1cnc2nc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)nn2c1	ZINC001600626372	1168218439	/nfs/dbraw/zinc/21/84/39/1168218439.db2.gz	KGGKKMPCLIRVEY-UHFFFAOYSA-N	-1	0	314.305	0.263	20	30		DCEDRM
Cn1c(C#N)ccc1-c1nnc(N2CC[C@@](C)(C(=O)[O-])C2)n1C	ZINC001600898813	1168500318	/nfs/dbraw/zinc/50/03/18/1168500318.db2.gz	RNVBMSZUXRESJJ-OAHLLOKOSA-N	-1	0	314.349	0.993	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(CC(=O)NC(C2CC2)C2CC2)CC1	ZINC001601052480	1168577854	/nfs/dbraw/zinc/57/78/54/1168577854.db2.gz	CXQKOGUIIDKVJW-UHFFFAOYSA-N	-1	0	305.378	0.982	20	30		DCEDRM
N#CC1(CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCOCC1	ZINC001601053749	1168578333	/nfs/dbraw/zinc/57/83/33/1168578333.db2.gz	RCJLGYOWMBOPAC-UHFFFAOYSA-N	-1	0	305.334	0.914	20	30		DCEDRM
N#CC1(NC(=O)CN2CCC[C@H](O)[C@@H]2C(=O)[O-])CCCCC1	ZINC001601056945	1168578347	/nfs/dbraw/zinc/57/83/47/1168578347.db2.gz	FWPXBTHECZLWDV-WCQYABFASA-N	-1	0	309.366	0.239	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)c2ccc(C(N)=O)cc2)CC1	ZINC001601055599	1168578502	/nfs/dbraw/zinc/57/85/02/1168578502.db2.gz	RILCTHXCBRVJAW-UHFFFAOYSA-N	-1	0	301.302	0.616	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1	ZINC001601058230	1168578787	/nfs/dbraw/zinc/57/87/87/1168578787.db2.gz	PKPACTDGDSPFLL-ISTVAULSSA-N	-1	0	311.313	0.210	20	30		DCEDRM
N#CC1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)CC1	ZINC001601060707	1168578817	/nfs/dbraw/zinc/57/88/17/1168578817.db2.gz	HNXGSVHCNJKSCT-UHFFFAOYSA-N	-1	0	302.290	0.480	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)C1	ZINC001601061949	1168578958	/nfs/dbraw/zinc/57/89/58/1168578958.db2.gz	AGOYWFLPVPNUJK-UTCJRWHESA-N	-1	0	322.342	0.433	20	30		DCEDRM
N#CC[C@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)C(F)(F)F	ZINC001601061679	1168579033	/nfs/dbraw/zinc/57/90/33/1168579033.db2.gz	DJOFEUFJJMHXBT-ZETCQYMHSA-N	-1	0	320.231	0.120	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCOCC(F)(F)C(F)F	ZINC001601070181	1168581270	/nfs/dbraw/zinc/58/12/70/1168581270.db2.gz	WSBDPNLBKMRWLB-UHFFFAOYSA-N	-1	0	300.208	0.730	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)C1CCC(NC(=O)C2CC2)CC1	ZINC001601071240	1168581353	/nfs/dbraw/zinc/58/13/53/1168581353.db2.gz	XGCFYPYZRFXPRM-UHFFFAOYSA-N	-1	0	321.377	0.898	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1cccc2c1OCO2	ZINC001601073310	1168581706	/nfs/dbraw/zinc/58/17/06/1168581706.db2.gz	OKWCDHKUPWUJGA-UHFFFAOYSA-N	-1	0	312.303	0.404	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC001601075607	1168582164	/nfs/dbraw/zinc/58/21/64/1168582164.db2.gz	HIBLJPCAMSDWRK-OAHLLOKOSA-N	-1	0	304.302	0.953	20	30		DCEDRM
N#CCNCCCOC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001601074715	1168582411	/nfs/dbraw/zinc/58/24/11/1168582411.db2.gz	OEYAGWZEGGEAGP-CHWSQXEVSA-N	-1	0	309.366	0.218	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1	ZINC001601078098	1168583051	/nfs/dbraw/zinc/58/30/51/1168583051.db2.gz	PBKMTLMNWDNQHD-NWDGAFQWSA-N	-1	0	310.331	0.273	20	30		DCEDRM
N#CCc1ccnc(NC(=O)NCCC(=O)NCCC(=O)[O-])c1	ZINC001601078043	1168583068	/nfs/dbraw/zinc/58/30/68/1168583068.db2.gz	GGXHPLUJNNGIQF-UHFFFAOYSA-N	-1	0	319.321	0.250	20	30		DCEDRM
N#Cc1cc(Cl)cc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c1	ZINC001601086837	1168583440	/nfs/dbraw/zinc/58/34/40/1168583440.db2.gz	LFJNWYXTJXFRDS-GFCCVEGCSA-N	-1	0	307.737	0.987	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c(F)c1	ZINC001601087051	1168583653	/nfs/dbraw/zinc/58/36/53/1168583653.db2.gz	AVSRAFYRQNZSOS-BDAKNGLRSA-N	-1	0	310.256	0.744	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])nc1	ZINC001601094122	1168584011	/nfs/dbraw/zinc/58/40/11/1168584011.db2.gz	NQGRSOVHGZAJSS-ZDUSSCGKSA-N	-1	0	303.318	0.953	20	30		DCEDRM
N#Cc1ccc(CCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1	ZINC001601100295	1168585170	/nfs/dbraw/zinc/58/51/70/1168585170.db2.gz	XHAPXDPZJRXYAS-CYBMUJFWSA-N	-1	0	315.329	0.293	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@@H](CF)C(=O)[O-])c(F)c1	ZINC001601102409	1168585331	/nfs/dbraw/zinc/58/53/31/1168585331.db2.gz	PTNYAFPTLDEDFA-JTQLQIEISA-N	-1	0	304.274	0.539	20	30		DCEDRM
N#Cc1ccc(N2C[C@@H](C(=O)N[C@H](CF)C(=O)[O-])CC2=O)cc1	ZINC001601105784	1168585376	/nfs/dbraw/zinc/58/53/76/1168585376.db2.gz	IQJVQFBITTZDCC-CMPLNLGQSA-N	-1	0	319.292	0.450	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC001601104860	1168585540	/nfs/dbraw/zinc/58/55/40/1168585540.db2.gz	MYLADWLXCXSIJU-STQMWFEESA-N	-1	0	303.318	0.089	20	30		DCEDRM
N#Cc1ccc(CN2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)s1	ZINC001601101097	1168585568	/nfs/dbraw/zinc/58/55/68/1168585568.db2.gz	YEJVXRWQOWHRIB-QWHCGFSZSA-N	-1	0	319.386	0.888	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)CC2(C(=O)[O-])CC2)cc1F	ZINC001601101855	1168585757	/nfs/dbraw/zinc/58/57/57/1168585757.db2.gz	NCBRZBFHMKYLNT-UHFFFAOYSA-N	-1	0	312.322	0.982	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCSC[C@@H]2CC(=O)[O-])nc1	ZINC001601108481	1168586012	/nfs/dbraw/zinc/58/60/12/1168586012.db2.gz	ONBBCTIWUOIFOX-NSHDSACASA-N	-1	0	320.374	0.784	20	30		DCEDRM
N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cn1	ZINC001601107814	1168586441	/nfs/dbraw/zinc/58/64/41/1168586441.db2.gz	LOCOFRBNPIQAJL-FEAJGASRSA-N	-1	0	300.318	0.758	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])cc1	ZINC001601106771	1168586494	/nfs/dbraw/zinc/58/64/94/1168586494.db2.gz	BXJVESXNDAGQRD-RYUDHWBXSA-N	-1	0	301.302	0.866	20	30		DCEDRM
N#Cc1ccccc1C(F)(F)C(=O)NC1(C(=O)[O-])CC(CO)C1	ZINC001601124403	1168588954	/nfs/dbraw/zinc/58/89/54/1168588954.db2.gz	PCKKAHXIZXXFIG-UHFFFAOYSA-N	-1	0	324.283	0.992	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCO[C@@H](C(=O)C2CC2)C1	ZINC001601132678	1168592168	/nfs/dbraw/zinc/59/21/68/1168592168.db2.gz	ATSLWOAGBDJWEN-CYBMUJFWSA-N	-1	0	301.302	0.836	20	30		DCEDRM
N#Cc1cscc1C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001601132218	1168592967	/nfs/dbraw/zinc/59/29/67/1168592967.db2.gz	LPLSLIHSFPRVTD-SNVBAGLBSA-N	-1	0	308.315	0.852	20	30		DCEDRM
O=C([O-])c1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)nc1	ZINC001601223801	1168666116	/nfs/dbraw/zinc/66/61/16/1168666116.db2.gz	LTCJYHIHPWADIU-IMRBUKKESA-N	-1	0	312.329	0.139	20	30		DCEDRM
O=C([O-])[C@@H]1[C@H](CNC(=O)C#Cc2ccc3c(c2)OCO3)C1(F)F	ZINC001601224142	1168666651	/nfs/dbraw/zinc/66/66/51/1168666651.db2.gz	REPCXCVSZLNITC-ZANVPECISA-N	-1	0	323.251	0.849	20	30		DCEDRM
O=C(C#CC1CC1)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001601223702	1168666770	/nfs/dbraw/zinc/66/67/70/1168666770.db2.gz	JZYFRFJWHNESMY-NEPJUHHUSA-N	-1	0	304.346	0.276	20	30		DCEDRM
O=C([O-])CCN1CC[C@@H](ON=Cc2ccc([N+](=O)[O-])o2)C1=O	ZINC001602012447	1168963414	/nfs/dbraw/zinc/96/34/14/1168963414.db2.gz	IDWIWAGLFTWAAP-SECBINFHSA-N	-1	0	311.250	0.614	20	30		DCEDRM
O=C([O-])c1c[nH]nc1S(=O)(=O)OCC(F)(F)C(F)F	ZINC001602507170	1169101189	/nfs/dbraw/zinc/10/11/89/1169101189.db2.gz	ONLFBKQMZHWKIU-UHFFFAOYSA-N	-1	0	306.193	0.714	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)[C@H]1CCCO1	ZINC001602678730	1169157054	/nfs/dbraw/zinc/15/70/54/1169157054.db2.gz	PNGDZEKATVMIDE-WDEREUQCSA-N	-1	0	301.364	0.342	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(C(C)(C)C)n2ncnc2n1)C(=O)[O-]	ZINC001602691995	1169161960	/nfs/dbraw/zinc/16/19/60/1169161960.db2.gz	GLOGLMIEBLCPBE-VIFPVBQESA-N	-1	0	315.333	0.628	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(Br)o1)C(=O)[O-]	ZINC001602698438	1169164702	/nfs/dbraw/zinc/16/47/02/1169164702.db2.gz	HHCUOBDJCRFPKV-ZCFIWIBFSA-N	-1	0	322.136	0.797	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)Cc1noc2c1CCCC2)C(=O)[O-]	ZINC001602698663	1169164897	/nfs/dbraw/zinc/16/48/97/1169164897.db2.gz	PUJUUEOTIZDKGH-JTQLQIEISA-N	-1	0	312.347	0.449	20	30		DCEDRM
C#CCCCCC(=O)NCCNc1cnc(-c2nn[nH]n2)cn1	ZINC001602709846	1169165608	/nfs/dbraw/zinc/16/56/08/1169165608.db2.gz	KLLYJVDJJCWORQ-UHFFFAOYSA-N	-1	0	314.353	0.378	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC001602715650	1169168443	/nfs/dbraw/zinc/16/84/43/1169168443.db2.gz	MAVNSLNWKBPGQF-UHFFFAOYSA-N	-1	0	312.325	0.737	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001602719676	1169169639	/nfs/dbraw/zinc/16/96/39/1169169639.db2.gz	AIGRVZMNWVGYID-JTQLQIEISA-N	-1	0	305.286	0.445	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(=O)[O-])ccc21	ZINC001602726904	1169174926	/nfs/dbraw/zinc/17/49/26/1169174926.db2.gz	WGVUWYKZJWSYIB-VIFPVBQESA-N	-1	0	302.286	0.708	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)N(C)CCC(=O)[O-]	ZINC001602747103	1169177315	/nfs/dbraw/zinc/17/73/15/1169177315.db2.gz	KTFOKBHJZOZUDP-PWSUYJOCSA-N	-1	0	306.384	0.209	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)[O-]	ZINC001602749835	1169177886	/nfs/dbraw/zinc/17/78/86/1169177886.db2.gz	ZQLZCXXTFFOHHL-ZDUSSCGKSA-N	-1	0	315.329	0.932	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001602764930	1169180778	/nfs/dbraw/zinc/18/07/78/1169180778.db2.gz	YFZOSICKQQNUFC-VHSXEESVSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=C(C)CCNC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001602761028	1169181624	/nfs/dbraw/zinc/18/16/24/1169181624.db2.gz	QQMRSZFPTKYWHH-OAHLLOKOSA-N	-1	0	311.382	0.524	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001602762427	1169181694	/nfs/dbraw/zinc/18/16/94/1169181694.db2.gz	OLXCRJYJOSKGMV-UHFFFAOYSA-N	-1	0	309.322	0.669	20	30		DCEDRM
C=C[C@H](COC)NS(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC001602815943	1169186562	/nfs/dbraw/zinc/18/65/62/1169186562.db2.gz	HDJXZZMKSUXYQE-SSDOTTSWSA-N	-1	0	321.376	0.934	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1CC(=C)C	ZINC001602821036	1169187640	/nfs/dbraw/zinc/18/76/40/1169187640.db2.gz	SUVGUUNWYOYKII-SRVKXCTJSA-N	-1	0	322.365	0.752	20	30		DCEDRM
C=CC[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1	ZINC001602824961	1169188363	/nfs/dbraw/zinc/18/83/63/1169188363.db2.gz	TVNGBQKFWVYFAU-VIFPVBQESA-N	-1	0	317.353	0.046	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@](F)(C(=O)[O-])C2)n1CC1CC1	ZINC001602821176	1169188997	/nfs/dbraw/zinc/18/89/97/1169188997.db2.gz	WPQPGEHLIFIZJW-QMTHXVAHSA-N	-1	0	310.329	0.911	20	30		DCEDRM
C=CCN(CC=C)C(=O)Cn1cc(-c2nnn[n-]2)ccc1=O	ZINC001602849855	1169191848	/nfs/dbraw/zinc/19/18/48/1169191848.db2.gz	HRZZDKQQUIYHEP-UHFFFAOYSA-N	-1	0	300.322	0.229	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001602857926	1169194497	/nfs/dbraw/zinc/19/44/97/1169194497.db2.gz	ZDESNVNWQIASPU-LBPRGKRZSA-N	-1	0	306.318	0.767	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C(=O)OC	ZINC001602865571	1169197137	/nfs/dbraw/zinc/19/71/37/1169197137.db2.gz	MPWMKHFJBUBJMR-DDHJBXDOSA-N	-1	0	313.350	0.879	20	30		DCEDRM
C=CCCn1cc(C(=O)NCc2ccc(C(=O)[O-])cn2)nn1	ZINC001602884618	1169197633	/nfs/dbraw/zinc/19/76/33/1169197633.db2.gz	LNNCDPIXZHJFFH-UHFFFAOYSA-N	-1	0	301.306	0.877	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001602888607	1169200290	/nfs/dbraw/zinc/20/02/90/1169200290.db2.gz	UIUYMSKHKBESSD-GWCFXTLKSA-N	-1	0	315.333	0.893	20	30		DCEDRM
CC(=NNS(=O)(=O)C(C)C)c1ccc(-c2nn[nH]n2)cc1	ZINC001602908230	1169201463	/nfs/dbraw/zinc/20/14/63/1169201463.db2.gz	PINMDBQWCJKICO-UHFFFAOYSA-N	-1	0	308.367	0.919	20	30		DCEDRM
C=CCOCC(=O)N[C@H](C)CN(C)c1ccnc(C(=O)[O-])n1	ZINC001602906233	1169202153	/nfs/dbraw/zinc/20/21/53/1169202153.db2.gz	BVMGHRHMNLWJJO-SNVBAGLBSA-N	-1	0	308.338	0.318	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])o1	ZINC001602901916	1169202158	/nfs/dbraw/zinc/20/21/58/1169202158.db2.gz	FLGPVPCHOMWLRB-ZETCQYMHSA-N	-1	0	310.262	0.535	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1	ZINC001602906868	1169202323	/nfs/dbraw/zinc/20/23/23/1169202323.db2.gz	QGQLMBOEDFJTKM-NSHDSACASA-N	-1	0	321.333	0.465	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCC(=O)c1cnn(C)c1)C(=O)[O-]	ZINC001602909622	1169202988	/nfs/dbraw/zinc/20/29/88/1169202988.db2.gz	AOEJQOAYUUJJAU-LLVKDONJSA-N	-1	0	309.322	0.155	20	30		DCEDRM
C=CCOCCCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001602915271	1169204421	/nfs/dbraw/zinc/20/44/21/1169204421.db2.gz	ILIITGPHZGDWLC-CHWSQXEVSA-N	-1	0	324.377	0.359	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(-n2cnnc2)cc1)C(=O)[O-]	ZINC001602913711	1169204610	/nfs/dbraw/zinc/20/46/10/1169204610.db2.gz	XSLVYXCSSHAHLI-ZDUSSCGKSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=CCOc1cccc(NC(=O)C(=O)NC[C@H](F)C(=O)[O-])c1	ZINC001602921903	1169206373	/nfs/dbraw/zinc/20/63/73/1169206373.db2.gz	WUMRSSOUMBEKLL-NSHDSACASA-N	-1	0	310.281	0.729	20	30		DCEDRM
C=CCc1ccc(OCC(=O)N[C@@](C)(CO)C(=O)[O-])c(OC)c1	ZINC001602927052	1169209993	/nfs/dbraw/zinc/20/99/93/1169209993.db2.gz	YCXPXSQRVXYWME-INIZCTEOSA-N	-1	0	323.345	0.754	20	30		DCEDRM
C=CCn1c(-c2ncc[nH]2)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001602931211	1169210894	/nfs/dbraw/zinc/21/08/94/1169210894.db2.gz	OQLRALPKAVSUQY-SNVBAGLBSA-N	-1	0	318.337	0.534	20	30		DCEDRM
C=CCn1c(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)nnc1[C@](C)(O)CC	ZINC001602936834	1169212169	/nfs/dbraw/zinc/21/21/69/1169212169.db2.gz	GHJDOAABRUFXTE-JRPNMDOOSA-N	-1	0	324.381	0.760	20	30		DCEDRM
C=CCn1c(C[C@H](O)C2CC2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602935209	1169213015	/nfs/dbraw/zinc/21/30/15/1169213015.db2.gz	BLMMKWCSJUWKJU-RYUDHWBXSA-N	-1	0	322.365	0.067	20	30		DCEDRM
C=CCn1cc(CNC(=O)Nc2cc(C(=O)[O-])nn2C)nn1	ZINC001602938133	1169213335	/nfs/dbraw/zinc/21/33/35/1169213335.db2.gz	VFVUWHGNCUYDAM-UHFFFAOYSA-N	-1	0	305.298	0.218	20	30		DCEDRM
CC(C)(C)OC(=O)CN(CCC(=O)[O-])c1cc(C#N)cnn1	ZINC001603374041	1169301262	/nfs/dbraw/zinc/30/12/62/1169301262.db2.gz	XHEHJRFBWJYNJQ-UHFFFAOYSA-N	-1	0	306.322	0.971	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001603443752	1169306152	/nfs/dbraw/zinc/30/61/52/1169306152.db2.gz	YDSKBUFVLIRKQT-JTQLQIEISA-N	-1	0	320.378	0.930	20	30		DCEDRM
CC1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCC(=O)CC1	ZINC001603751324	1169379704	/nfs/dbraw/zinc/37/97/04/1169379704.db2.gz	DKVMOKNZKVLSIP-UHFFFAOYSA-N	-1	0	314.309	0.549	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N(CC(=O)[O-])C1CCOCC1	ZINC001604060823	1169482947	/nfs/dbraw/zinc/48/29/47/1169482947.db2.gz	OURGLOJXIINALA-JTQLQIEISA-N	-1	0	319.383	0.031	20	30		DCEDRM
CCC[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCO1	ZINC001604152679	1169507336	/nfs/dbraw/zinc/50/73/36/1169507336.db2.gz	NDGUWQYTTADGNZ-VIFPVBQESA-N	-1	0	300.326	0.534	20	30		DCEDRM
CNc1ccc(C#N)cc1NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001604254428	1169533657	/nfs/dbraw/zinc/53/36/57/1169533657.db2.gz	RZJDRNLUYHKFPR-UHFFFAOYSA-N	-1	0	300.278	0.528	20	30		DCEDRM
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N(CC#N)CC(=O)[O-]	ZINC001604300845	1169551354	/nfs/dbraw/zinc/55/13/54/1169551354.db2.gz	NIBWPOXUGQASRM-UWVGGRQHSA-N	-1	0	313.354	0.972	20	30		DCEDRM
CC1(C#N)CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001604482366	1169600686	/nfs/dbraw/zinc/60/06/86/1169600686.db2.gz	IIZJGDRHMHAWAA-MNOVXSKESA-N	-1	0	307.350	0.508	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC001604498330	1169605087	/nfs/dbraw/zinc/60/50/87/1169605087.db2.gz	SPFLWHCJRUOMTN-WIDZWVOGSA-N	-1	0	321.333	0.226	20	30		DCEDRM
C[C@@H]1C[C@@H](N2CCOCC2)CN1c1ccc(C(=O)[O-])nc1C#N	ZINC001604673241	1169650572	/nfs/dbraw/zinc/65/05/72/1169650572.db2.gz	UMLSSCKNHPAQDL-VXGBXAGGSA-N	-1	0	316.361	0.951	20	30		DCEDRM
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C[C@@H]1O	ZINC001604760405	1169671923	/nfs/dbraw/zinc/67/19/23/1169671923.db2.gz	JVYFNFLDSHYZRX-CABZTGNLSA-N	-1	0	324.358	0.648	20	30		DCEDRM
CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001604961516	1169764783	/nfs/dbraw/zinc/76/47/83/1169764783.db2.gz	SZEDSWRDFJMXEL-SECBINFHSA-N	-1	0	303.322	0.992	20	30		DCEDRM
COc1cccc(O)c1C=NCCn1cnc(-c2nnn[n-]2)n1	ZINC001605321386	1169893049	/nfs/dbraw/zinc/89/30/49/1169893049.db2.gz	CQWCUJZNGMBUPU-AUWJEWJLSA-N	-1	0	314.309	0.292	20	30		DCEDRM
CCCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc(C#N)nn1	ZINC001605316510	1169893943	/nfs/dbraw/zinc/89/39/43/1169893943.db2.gz	WCXLLXCCEPIICD-VXGBXAGGSA-N	-1	0	317.349	0.402	20	30		DCEDRM
CCn1c(CC(C)(C)C#N)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001605907810	1170025674	/nfs/dbraw/zinc/02/56/74/1170025674.db2.gz	LJNDIZAFZHCWJI-SNVBAGLBSA-N	-1	0	307.354	0.680	20	30		DCEDRM
CCn1c(CCCCC#N)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001605908305	1170025716	/nfs/dbraw/zinc/02/57/16/1170025716.db2.gz	TUMWLDGTYOEMOK-NSHDSACASA-N	-1	0	307.354	0.824	20	30		DCEDRM
CN(C(=O)C(=O)N1CCC[C@](C)(C#N)C1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001605952202	1170033113	/nfs/dbraw/zinc/03/31/13/1170033113.db2.gz	SFFDOQPOSCUQSF-JRPNMDOOSA-N	-1	0	307.350	0.460	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)c1ccc(C#N)cc1	ZINC001606018390	1170051039	/nfs/dbraw/zinc/05/10/39/1170051039.db2.gz	VGOXRBCIKZFFIM-UHFFFAOYSA-N	-1	0	318.300	0.998	20	30		DCEDRM
CN(CCCNc1ccc(C#N)cn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001606122308	1170084942	/nfs/dbraw/zinc/08/49/42/1170084942.db2.gz	GOIHZERLDWLHPP-NEPJUHHUSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1ncc(N2CC[C@]3(CC3(F)F)C2)nc1-c1nnn[n-]1	ZINC001606396979	1170183314	/nfs/dbraw/zinc/18/33/14/1170183314.db2.gz	FWZCHGKREQYGIY-NSHDSACASA-N	-1	0	304.264	0.764	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@@H](CCO)C2)nc1-c1nnn[n-]1	ZINC001606397177	1170183503	/nfs/dbraw/zinc/18/35/03/1170183503.db2.gz	KHIZJOKZKUFNNF-VIFPVBQESA-N	-1	0	300.326	0.127	20	30		DCEDRM
N#Cc1ncc(N2CC[C@@]3(CC3(F)F)C2)nc1-c1nnn[n-]1	ZINC001606396978	1170184173	/nfs/dbraw/zinc/18/41/73/1170184173.db2.gz	FWZCHGKREQYGIY-LLVKDONJSA-N	-1	0	304.264	0.764	20	30		DCEDRM
COC(=O)c1cccc([C@H](C(=O)[O-])N2CC(O)(CC#N)C2)c1	ZINC001606613181	1170242702	/nfs/dbraw/zinc/24/27/02/1170242702.db2.gz	QPOYQZMWFPNRSE-GFCCVEGCSA-N	-1	0	304.302	0.559	20	30		DCEDRM
COC(=O)c1cccc(CN2CCC(O)(C(=O)[O-])CC2)c1C#N	ZINC001606616431	1170244315	/nfs/dbraw/zinc/24/43/15/1170244315.db2.gz	JUHMNGVGRYQGII-UHFFFAOYSA-N	-1	0	318.329	0.756	20	30		DCEDRM
CO[C@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)[C@@H](C(=O)[O-])C1	ZINC001606751771	1170277544	/nfs/dbraw/zinc/27/75/44/1170277544.db2.gz	ZSHSGQJNHGDHFH-QWHCGFSZSA-N	-1	0	304.302	0.968	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NS(=O)(=O)CC1(C#N)CCC1	ZINC001606786193	1170289784	/nfs/dbraw/zinc/28/97/84/1170289784.db2.gz	MXBDZWVKCYPTBC-NSHDSACASA-N	-1	0	304.368	0.479	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCCN1C(=O)c1cc(C#N)cn1C	ZINC001606827908	1170304381	/nfs/dbraw/zinc/30/43/81/1170304381.db2.gz	NDEUXGRTISZEKA-OAHLLOKOSA-N	-1	0	305.334	0.993	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@H]1C(=O)[O-]	ZINC001607428014	1170450579	/nfs/dbraw/zinc/45/05/79/1170450579.db2.gz	RQLFRINYWLOFNE-ZWNOBZJWSA-N	-1	0	315.329	0.870	20	30		DCEDRM
Cc1cc(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)n(CCC#N)n1	ZINC001607691104	1170495791	/nfs/dbraw/zinc/49/57/91/1170495791.db2.gz	NKKBMVFTRXUCEV-HLUHBDAQSA-N	-1	0	306.322	0.922	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001607838484	1170512250	/nfs/dbraw/zinc/51/22/50/1170512250.db2.gz	LJCUNQWQLVORSY-NWDGAFQWSA-N	-1	0	324.358	0.465	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)c1C#N	ZINC001607861948	1170514608	/nfs/dbraw/zinc/51/46/08/1170514608.db2.gz	JJBOYALBLLCSAC-JQWIXIFHSA-N	-1	0	324.358	0.729	20	30		DCEDRM
Cc1nc[nH]c(=O)c1CCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001607975789	1170536395	/nfs/dbraw/zinc/53/63/95/1170536395.db2.gz	NYYNCUXSAFZJDX-UHFFFAOYSA-N	-1	0	318.333	0.640	20	30		DCEDRM
Cn1nc2c(cc1=O)CN(c1ccc(C(=O)[O-])nc1C#N)CC2	ZINC001608152976	1170597601	/nfs/dbraw/zinc/59/76/01/1170597601.db2.gz	FGEFIOIWXVEYGM-UHFFFAOYSA-N	-1	0	311.301	0.308	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)CCc2ccc(=O)[nH]c2)CC1	ZINC001608170898	1170608427	/nfs/dbraw/zinc/60/84/27/1170608427.db2.gz	AZEXESFPPQPRQO-UHFFFAOYSA-N	-1	0	303.318	0.937	20	30		DCEDRM
N#CC1(CNC(=O)CCc2ocnc2C(=O)[O-])CCOCC1	ZINC001608174765	1170609639	/nfs/dbraw/zinc/60/96/39/1170609639.db2.gz	CHEREDTVBPVOBW-UHFFFAOYSA-N	-1	0	307.306	0.742	20	30		DCEDRM
N#CCCN1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC001608184819	1170611593	/nfs/dbraw/zinc/61/15/93/1170611593.db2.gz	YCOPIUMPKPLPOP-UHFFFAOYSA-N	-1	0	305.294	0.724	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)Nc2cccc(CC(=O)[O-])n2)C1	ZINC001608182350	1170611688	/nfs/dbraw/zinc/61/16/88/1170611688.db2.gz	ZOCLGYSUYLSBSB-AWEZNQCLSA-N	-1	0	304.306	0.591	20	30		DCEDRM
N#CCC1CCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CC1	ZINC001608182124	1170611851	/nfs/dbraw/zinc/61/18/51/1170611851.db2.gz	UVMVDSMFYLSLER-CYBMUJFWSA-N	-1	0	321.377	0.756	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)nc1F	ZINC001608184343	1170611932	/nfs/dbraw/zinc/61/19/32/1170611932.db2.gz	WBVXBJIPDNCHFN-UHFFFAOYSA-N	-1	0	307.690	0.473	20	30		DCEDRM
N#Cc1cc(C(=O)NCC2(CC(=O)[O-])CCOCC2)ccn1	ZINC001608194516	1170613707	/nfs/dbraw/zinc/61/37/07/1170613707.db2.gz	XKMALSDTAKFWHE-UHFFFAOYSA-N	-1	0	303.318	0.955	20	30		DCEDRM
N#Cc1c2ccccc2[nH]c1C(=O)N[C@H](Cn1cncn1)C(=O)[O-]	ZINC001608190992	1170614019	/nfs/dbraw/zinc/61/40/19/1170614019.db2.gz	GDJURAWBVFWLBX-GFCCVEGCSA-N	-1	0	324.300	0.514	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)NCCNc2ncc(C(=O)[O-])cn2)c1	ZINC001608195660	1170614092	/nfs/dbraw/zinc/61/40/92/1170614092.db2.gz	VCJAIJGOYTVGOX-UHFFFAOYSA-N	-1	0	300.278	0.216	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(C[C@@H](O)COc2ccccc2)c1=O	ZINC001608195865	1170614168	/nfs/dbraw/zinc/61/41/68/1170614168.db2.gz	HPOIUNMGKMHNKO-CYBMUJFWSA-N	-1	0	314.297	0.858	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@H](C(=O)[O-])c2cccnc2)cc1	ZINC001608201959	1170614920	/nfs/dbraw/zinc/61/49/20/1170614920.db2.gz	JUNUKSVLQSUOLM-KBPBESRZSA-N	-1	0	311.297	0.929	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@H](C(=O)[O-])c2ccccn2)cc1	ZINC001608202168	1170614929	/nfs/dbraw/zinc/61/49/29/1170614929.db2.gz	MFKZYRNJTQNYPB-KBPBESRZSA-N	-1	0	311.297	0.929	20	30		DCEDRM
N#Cc1ccc([C@H](O)CN2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1	ZINC001608201897	1170615379	/nfs/dbraw/zinc/61/53/79/1170615379.db2.gz	HVRRUNQHZFMRDG-ZIAGYGMSSA-N	-1	0	317.345	0.257	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H](O)C2CC2)c(C(=O)[O-])c1	ZINC001608212226	1170615675	/nfs/dbraw/zinc/61/56/75/1170615675.db2.gz	XHWZHHSNPMLQLI-NSHDSACASA-N	-1	0	310.331	0.306	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)o1	ZINC001608211851	1170615855	/nfs/dbraw/zinc/61/58/55/1170615855.db2.gz	LYNLGFTTYDOXCP-OYBPUVFXSA-N	-1	0	310.331	0.929	20	30		DCEDRM
N#Cc1ccc(OC2CN(Cc3cn(CC(=O)[O-])nn3)C2)cc1	ZINC001608208888	1170616051	/nfs/dbraw/zinc/61/60/51/1170616051.db2.gz	DFWWMGCMLUNYQR-UHFFFAOYSA-N	-1	0	313.317	0.498	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])nc1	ZINC001608210840	1170616325	/nfs/dbraw/zinc/61/63/25/1170616325.db2.gz	TXXZSHKYVUSQRH-SSDOTTSWSA-N	-1	0	305.262	0.340	20	30		DCEDRM
N#Cc1cccc(CN2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1	ZINC001608217487	1170616868	/nfs/dbraw/zinc/61/68/68/1170616868.db2.gz	GBTNTDJULRQRRZ-HUUCEWRRSA-N	-1	0	313.357	0.827	20	30		DCEDRM
N#Cc1cccc(C(=O)NCC2(CC(=O)[O-])CCOCC2)n1	ZINC001608215173	1170617450	/nfs/dbraw/zinc/61/74/50/1170617450.db2.gz	LZNRQAUMGGONGX-UHFFFAOYSA-N	-1	0	303.318	0.955	20	30		DCEDRM
N#Cc1cccnc1N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001608221139	1170618139	/nfs/dbraw/zinc/61/81/39/1170618139.db2.gz	COWICMKWDKPYAN-GWNIPJSYSA-N	-1	0	314.345	0.981	20	30		DCEDRM
N#Cc1ccccc1C(F)(F)C(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC001608221257	1170618330	/nfs/dbraw/zinc/61/83/30/1170618330.db2.gz	RFXJAUPSCNVQFE-CYBMUJFWSA-N	-1	0	310.256	0.698	20	30		DCEDRM
N#Cc1cnccc1NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001608222161	1170618381	/nfs/dbraw/zinc/61/83/81/1170618381.db2.gz	ACHUAWNDSIURAP-GHMZBOCLSA-N	-1	0	300.318	0.157	20	30		DCEDRM
N#Cc1cccnc1N1CCN(C(=O)NC[C@H](F)C(=O)[O-])CC1	ZINC001608221122	1170618805	/nfs/dbraw/zinc/61/88/05/1170618805.db2.gz	CFZBLVIPKWXVCV-NSHDSACASA-N	-1	0	321.312	0.208	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001608224754	1170619378	/nfs/dbraw/zinc/61/93/78/1170619378.db2.gz	BARPVVSCJYXWDA-XNCJUZBTSA-N	-1	0	322.314	0.864	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1cc(C)cc(-c2nn[nH]n2)c1	ZINC001609019261	1170785087	/nfs/dbraw/zinc/78/50/87/1170785087.db2.gz	QDBQYVOAOHCZHN-LLVKDONJSA-N	-1	0	312.333	0.642	20	30		DCEDRM
O=C([O-])[C@]1(C(=O)N[C@@H]2CCCN(O)C2=O)C[C@@H]1c1ccccc1	ZINC001609030906	1170787858	/nfs/dbraw/zinc/78/78/58/1170787858.db2.gz	HKVYYHAZAUHTAY-XHBSWPGZSA-N	-1	0	318.329	0.741	20	30		DCEDRM
C=CCOCCn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O	ZINC001609059101	1170794427	/nfs/dbraw/zinc/79/44/27/1170794427.db2.gz	QCNWSQFDOCIXEU-UHFFFAOYSA-N	-1	0	305.294	0.018	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)[C@H]1CCCO1	ZINC001609058168	1170794464	/nfs/dbraw/zinc/79/44/64/1170794464.db2.gz	QZPRVNGLTUQHGD-CMPLNLGQSA-N	-1	0	310.331	0.239	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)[C@H]1CCCO1	ZINC001609058309	1170794809	/nfs/dbraw/zinc/79/48/09/1170794809.db2.gz	WBDAUTPYQVZYJZ-NWDGAFQWSA-N	-1	0	315.391	0.732	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001609076609	1170800271	/nfs/dbraw/zinc/80/02/71/1170800271.db2.gz	RGIGTXVFEDXCRV-JTQLQIEISA-N	-1	0	306.318	0.267	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])C(=O)OC	ZINC001609105367	1170811896	/nfs/dbraw/zinc/81/18/96/1170811896.db2.gz	YBBRFXQSOZBBRL-SNVBAGLBSA-N	-1	0	311.315	0.228	20	30		DCEDRM
C#CCCCNC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001609106816	1170812625	/nfs/dbraw/zinc/81/26/25/1170812625.db2.gz	QFTSJWYOQPEQQF-UHFFFAOYSA-N	-1	0	305.338	0.736	20	30		DCEDRM
C#Cc1cc(F)c(NC(=O)C(=O)NC(C)(C)C(=O)[O-])c(F)c1	ZINC001609175036	1170844064	/nfs/dbraw/zinc/84/40/64/1170844064.db2.gz	XLYUZVCUHRSSHD-UHFFFAOYSA-N	-1	0	310.256	0.864	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1	ZINC001609264188	1170902991	/nfs/dbraw/zinc/90/29/91/1170902991.db2.gz	GFKVMCTTXFFWJD-SOUVJXGZSA-N	-1	0	323.437	0.938	20	30		DCEDRM
C=C[C@H](N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O)C(=O)[O-]	ZINC001609272054	1170905611	/nfs/dbraw/zinc/90/56/11/1170905611.db2.gz	HJEVPQVVMFYOTO-VHSXEESVSA-N	-1	0	324.358	0.869	20	30		DCEDRM
COc1cc(C(C)N=Nc2oc(C)nc2-c2nnn[n-]2)on1	ZINC001609340201	1170945479	/nfs/dbraw/zinc/94/54/79/1170945479.db2.gz	NFXGIYNVUBZFSU-UHFFFAOYSA-N	-1	0	304.270	0.996	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C[C@H]1COc2ccccc2O1)C(=O)[O-]	ZINC001609432305	1170973712	/nfs/dbraw/zinc/97/37/12/1170973712.db2.gz	NGTGCZJMAXACBN-NWDGAFQWSA-N	-1	0	321.329	0.989	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C[C@@H]1COc2ccccc2O1)C(=O)[O-]	ZINC001609432304	1170974552	/nfs/dbraw/zinc/97/45/52/1170974552.db2.gz	NGTGCZJMAXACBN-NEPJUHHUSA-N	-1	0	321.329	0.989	20	30		DCEDRM
Cc1nc(C)c(C(=O)Cn2c(C)nc(-c3nnn[n-]3)c2C#N)o1	ZINC001609449275	1170980338	/nfs/dbraw/zinc/98/03/38/1170980338.db2.gz	VQXLCKQRCLXFNF-UHFFFAOYSA-N	-1	0	312.293	0.731	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC001609452528	1170982338	/nfs/dbraw/zinc/98/23/38/1170982338.db2.gz	OPTYEZOBQWLRNG-CYBMUJFWSA-N	-1	0	324.358	0.633	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cc(F)ccc1F)C(=O)[O-]	ZINC001609452420	1170983800	/nfs/dbraw/zinc/98/38/00/1170983800.db2.gz	JYBIVRJTKSZHHA-SNVBAGLBSA-N	-1	0	321.301	0.899	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC001609489016	1170995843	/nfs/dbraw/zinc/99/58/43/1170995843.db2.gz	RKKMYROWXLYJFT-UHFFFAOYSA-N	-1	0	304.302	0.814	20	30		DCEDRM
C[C@H](O)C(=O)N1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC001609787506	1171084724	/nfs/dbraw/zinc/08/47/24/1171084724.db2.gz	DHNTZEYXYJWSAV-FZMZJTMJSA-N	-1	0	317.345	0.209	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)OCC(=O)NCCC(=O)[O-])c1	ZINC001610105324	1171157768	/nfs/dbraw/zinc/15/77/68/1171157768.db2.gz	WXNSAFSNBBGPAV-UHFFFAOYSA-N	-1	0	319.317	0.372	20	30		DCEDRM
COC(=O)N[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001610190102	1171192523	/nfs/dbraw/zinc/19/25/23/1171192523.db2.gz	HOGLSKZVXZAXJO-GZMMTYOYSA-N	-1	0	306.274	0.972	20	30		DCEDRM
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](CF)C(=O)[O-])CC2)o1	ZINC001610551566	1171252470	/nfs/dbraw/zinc/25/24/70/1171252470.db2.gz	JMERQRDAJBRICZ-JTQLQIEISA-N	-1	0	324.312	0.610	20	30		DCEDRM
Cn1ccc([C@H](NS(=O)(=O)c2ccccc2C#N)C(=O)[O-])n1	ZINC001610608498	1171266271	/nfs/dbraw/zinc/26/62/71/1171266271.db2.gz	ITLNDFGQTPKEPL-LBPRGKRZSA-N	-1	0	320.330	0.396	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1	ZINC001610619556	1171270425	/nfs/dbraw/zinc/27/04/25/1171270425.db2.gz	LMWMBGLHFQBGPF-UHFFFAOYSA-N	-1	0	305.265	0.882	20	30		DCEDRM
N#Cc1cc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)ccn1	ZINC001610625596	1171271120	/nfs/dbraw/zinc/27/11/20/1171271120.db2.gz	SYMFYUAVQGLRRU-NSHDSACASA-N	-1	0	312.289	0.330	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001610620825	1171271483	/nfs/dbraw/zinc/27/14/83/1171271483.db2.gz	ONIZYLGYPGTXIF-SECBINFHSA-N	-1	0	314.294	0.437	20	30		DCEDRM
N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)[O-])cc1	ZINC001610622215	1171271633	/nfs/dbraw/zinc/27/16/33/1171271633.db2.gz	OXGFTRNGXUJWHN-UHFFFAOYSA-N	-1	0	312.303	0.120	20	30		DCEDRM
N#Cc1cscc1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001610634256	1171274256	/nfs/dbraw/zinc/27/42/56/1171274256.db2.gz	SOIJAWAMMOVFQP-SECBINFHSA-N	-1	0	317.330	0.997	20	30		DCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001626972723	1171494650	/nfs/dbraw/zinc/49/46/50/1171494650.db2.gz	LGTSZGLPIQOHTJ-LLVKDONJSA-N	-1	0	315.333	0.934	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CCOCCO)C(C)C	ZINC001640382410	1171880315	/nfs/dbraw/zinc/88/03/15/1171880315.db2.gz	JOPNFYKQXZGZAM-UHFFFAOYSA-N	-1	0	307.350	0.827	20	30		DCEDRM
CSCCCCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001641967670	1171935216	/nfs/dbraw/zinc/93/52/16/1171935216.db2.gz	FPRUCFYRKZUMPV-UHFFFAOYSA-N	-1	0	310.379	0.470	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@]2(F)CCOC2)c1	ZINC001645775378	1172135200	/nfs/dbraw/zinc/13/52/00/1172135200.db2.gz	KQHDUCLFYQBGSN-CYBMUJFWSA-N	-1	0	312.322	0.633	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001646148403	1172272922	/nfs/dbraw/zinc/27/29/22/1172272922.db2.gz	RYKLGDDZJZIPNF-OAHLLOKOSA-N	-1	0	320.349	0.166	20	30		DCEDRM
Cc1ccc(CC2CN(c3[n-]c(=O)n(C)c(=O)c3C#N)C2)cc1	ZINC001646634104	1172449667	/nfs/dbraw/zinc/44/96/67/1172449667.db2.gz	ARWHFLLFXRSZSB-UHFFFAOYSA-N	-1	0	310.357	0.933	20	30		DCEDRM
CO[C@@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)C1CCCCC1	ZINC001646636779	1172450668	/nfs/dbraw/zinc/45/06/68/1172450668.db2.gz	YSBPPKFWNDLJKJ-LBPRGKRZSA-N	-1	0	306.366	0.952	20	30		DCEDRM
CC(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(C#N)CC1	ZINC001646851989	1172563526	/nfs/dbraw/zinc/56/35/26/1172563526.db2.gz	HDPOWYUUXZUTDT-UHFFFAOYSA-N	-1	0	315.381	0.898	20	30		DCEDRM
COc1cccc2c1CCN(c1[n-]c(=O)n(C)c(=O)c1C#N)C2	ZINC001647631630	1173007147	/nfs/dbraw/zinc/00/71/47/1173007147.db2.gz	IUADNRGORXJZTI-UHFFFAOYSA-N	-1	0	312.329	0.517	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@@H](c3nccs3)C2)c(C#N)c1=O	ZINC001647632532	1173008747	/nfs/dbraw/zinc/00/87/47/1173008747.db2.gz	ZDODBPLFBYYKDG-MRVPVSSYSA-N	-1	0	303.347	0.396	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2cnn3ccccc23)c(=O)[n-]c1=O	ZINC001647944899	1173062303	/nfs/dbraw/zinc/06/23/03/1173062303.db2.gz	VLWPFEWHMSNDDE-UHFFFAOYSA-N	-1	0	324.300	0.497	20	30		DCEDRM
COc1cccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1O	ZINC001650726058	1173730885	/nfs/dbraw/zinc/73/08/85/1173730885.db2.gz	NIXYJDSYGGHVGA-UHFFFAOYSA-N	-1	0	302.290	0.272	20	30		DCEDRM
N#Cc1cc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])ccn1	ZINC001657426835	1173912088	/nfs/dbraw/zinc/91/20/88/1173912088.db2.gz	AMBNIHGMMOAQSO-UHFFFAOYSA-N	-1	0	319.302	0.735	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1	ZINC001674126082	1175256047	/nfs/dbraw/zinc/25/60/47/1175256047.db2.gz	AIKNUXFSJKWVAV-NWDGAFQWSA-N	-1	0	321.381	0.019	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001678167265	1175630481	/nfs/dbraw/zinc/63/04/81/1175630481.db2.gz	MBUNPXNOCCIKPC-KOLCDFICSA-N	-1	0	322.365	0.039	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC([C@H](C)NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001678653509	1175667545	/nfs/dbraw/zinc/66/75/45/1175667545.db2.gz	OEQJRCABKLMUQP-VIFPVBQESA-N	-1	0	316.361	0.414	20	30		DCEDRM
C=CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-]	ZINC001688095912	1176358488	/nfs/dbraw/zinc/35/84/88/1176358488.db2.gz	CIVAGCNZJRGHHO-PJXYFTJBSA-N	-1	0	318.377	0.967	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001690445847	1177244724	/nfs/dbraw/zinc/24/47/24/1177244724.db2.gz	FGEWMKKYQHEBGQ-VXGBXAGGSA-N	-1	0	321.381	0.019	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@H](C)[C@H](C)NCC#N)cc1=O	ZINC001700408502	1178610101	/nfs/dbraw/zinc/61/01/01/1178610101.db2.gz	LBWQZOYVQBITHX-NWDGAFQWSA-N	-1	0	307.398	0.381	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001701183700	1178949901	/nfs/dbraw/zinc/94/99/01/1178949901.db2.gz	ODOUIPOXGKNMHA-BJOHPYRUSA-N	-1	0	324.381	0.328	20	30		DCEDRM
C=CCCC(=O)NCCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001703331233	1179476105	/nfs/dbraw/zinc/47/61/05/1179476105.db2.gz	YFIQKWPTHTZVRJ-UHFFFAOYSA-N	-1	0	317.349	0.225	20	30		DCEDRM
CC#CCCCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001714922081	1181601062	/nfs/dbraw/zinc/60/10/62/1181601062.db2.gz	IKQJSGYLCZOUKD-GFCCVEGCSA-N	-1	0	305.382	0.785	20	30		DCEDRM
C=CCC(CC=C)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001716651820	1182480480	/nfs/dbraw/zinc/48/04/80/1182480480.db2.gz	FHFOBWXVYLATPW-LBPRGKRZSA-N	-1	0	305.382	0.969	20	30		DCEDRM
C=C(C)CCC(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001717218997	1182736214	/nfs/dbraw/zinc/73/62/14/1182736214.db2.gz	DFVBMJOZXKZDRP-UHFFFAOYSA-N	-1	0	321.381	0.280	20	30		DCEDRM
C=C(C)CCC(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001717939480	1183077546	/nfs/dbraw/zinc/07/75/46/1183077546.db2.gz	HRQBZRFPFZFXJI-LLVKDONJSA-N	-1	0	311.386	0.118	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001720926740	1183770735	/nfs/dbraw/zinc/77/07/35/1183770735.db2.gz	OOIVGEZSOHAWPQ-CLAHSXSESA-N	-1	0	323.353	0.120	20	30		DCEDRM
C=CCCOCC(=O)N1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001722008314	1184135549	/nfs/dbraw/zinc/13/55/49/1184135549.db2.gz	OFEGCXMGMMPIQD-NSHDSACASA-N	-1	0	322.365	0.347	20	30		DCEDRM
C=CCCN1CC(O)(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001724481949	1184454070	/nfs/dbraw/zinc/45/40/70/1184454070.db2.gz	NBTGIDHCWCMBEZ-UHFFFAOYSA-N	-1	0	318.333	0.281	20	30		DCEDRM
C=CCNC(=O)[C@H](C)N(C)C[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001733033612	1186110806	/nfs/dbraw/zinc/11/08/06/1186110806.db2.gz	NAKPBOKCFASVRG-ONGXEEELSA-N	-1	0	323.397	0.165	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C#CC(C)C)[C@@H]2C)c1[O-]	ZINC001738922962	1187699534	/nfs/dbraw/zinc/69/95/34/1187699534.db2.gz	FDVRZRDZFQFOCA-RYUDHWBXSA-N	-1	0	318.377	0.802	20	30		DCEDRM
C=CCCCC(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001755062640	1189011030	/nfs/dbraw/zinc/01/10/30/1189011030.db2.gz	BWUIKPQNTCLOJP-LLVKDONJSA-N	-1	0	321.381	0.326	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)C#CC2CC2)c1[O-]	ZINC001756446124	1189353789	/nfs/dbraw/zinc/35/37/89/1189353789.db2.gz	ZSDIORNFPWIDIS-SECBINFHSA-N	-1	0	304.350	0.414	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NCCN(CC)C(=O)c1n[nH]c(C)c1[O-]	ZINC001759002705	1190064203	/nfs/dbraw/zinc/06/42/03/1190064203.db2.gz	LNKAZEYIRRYJOV-NSHDSACASA-N	-1	0	322.365	0.040	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](C2CC2)C2CCOCC2)c(C#N)c1=O	ZINC001772120345	1190611974	/nfs/dbraw/zinc/61/19/74/1190611974.db2.gz	OKAROODQQPHAHS-LBPRGKRZSA-N	-1	0	304.350	0.562	20	30		DCEDRM
C[C@@H]1CN(c2nccnc2C#N)CC[C@@H]1NC(=O)c1cn[nH]n1	ZINC001067446163	747517633	/nfs/dbraw/zinc/51/76/33/747517633.db2.gz	PKCKZSWLMZYIOD-ZJUUUORDSA-N	-1	0	312.337	0.111	20	30		DCEDRM
C[C@@H]1CN(c2nccnc2C#N)CC[C@H]1NC(=O)c1cn[nH]n1	ZINC001067446158	747518045	/nfs/dbraw/zinc/51/80/45/747518045.db2.gz	PKCKZSWLMZYIOD-NXEZZACHSA-N	-1	0	312.337	0.111	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(CC#N)C2)c1[O-]	ZINC001087350601	747743025	/nfs/dbraw/zinc/74/30/25/747743025.db2.gz	DLBWXNDAPKYLJB-CYDGBPFRSA-N	-1	0	315.377	0.730	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)Nc2cncc(C#N)n2)c1[O-]	ZINC001112990572	762074207	/nfs/dbraw/zinc/07/42/07/762074207.db2.gz	HXOBDYSCRMZWPV-HTQZYQBOSA-N	-1	0	315.337	0.704	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001071807669	762151412	/nfs/dbraw/zinc/15/14/12/762151412.db2.gz	AWOYLPMXJVBXLE-MWLCHTKSSA-N	-1	0	322.365	0.203	20	30		DCEDRM
C=CCCO[N-]C(=O)CNc1ccc(S(N)(=O)=O)cc1F	ZINC001168627514	752754861	/nfs/dbraw/zinc/75/48/61/752754861.db2.gz	QRCJVNFHMQDZCU-UHFFFAOYSA-N	-1	0	317.342	0.509	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001045733804	753308772	/nfs/dbraw/zinc/30/87/72/753308772.db2.gz	QZWXTUIAKVAEIT-AXFHLTTASA-N	-1	0	304.354	0.235	20	30		DCEDRM
C[C@@]1(NC(=O)c2ccc3oc(=O)nc-3[n-]2)CCN(CC#N)C1	ZINC001046772174	753937633	/nfs/dbraw/zinc/93/76/33/753937633.db2.gz	RJQIRDSHKSCTFC-CQSZACIVSA-N	-1	0	301.306	0.646	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)c2ccc(C#N)nn2)c1[O-]	ZINC001113551343	762380674	/nfs/dbraw/zinc/38/06/74/762380674.db2.gz	GREJZRVJZWWSPC-MRVPVSSYSA-N	-1	0	315.337	0.340	20	30		DCEDRM
C=CCCN1CC2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])CCO2	ZINC001053225631	755963603	/nfs/dbraw/zinc/96/36/03/755963603.db2.gz	KCDGKTRUJSFPIH-UHFFFAOYSA-N	-1	0	306.366	0.527	20	30		DCEDRM
Cc1nc(C)c(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2C)c(=O)[nH]1	ZINC001080931857	756388719	/nfs/dbraw/zinc/38/87/19/756388719.db2.gz	NVLRMAHEBDYPMT-NOZJJQNGSA-N	-1	0	303.366	0.302	20	30		DCEDRM
C#CCN1CC[C@@H]2CN(C(=O)c3ccc4oc(=O)nc-4[n-]3)[C@@H]2C1	ZINC001084773097	758032645	/nfs/dbraw/zinc/03/26/45/758032645.db2.gz	CHGTTZKCWXKFRQ-ZYHUDNBSSA-N	-1	0	312.329	0.708	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@H](C)Nc2cnc(C#N)cn2)c1[O-]	ZINC001098985470	762773293	/nfs/dbraw/zinc/77/32/93/762773293.db2.gz	WKAGSLUHAOHWJG-QMMMGPOBSA-N	-1	0	315.337	0.706	20	30		DCEDRM
C[C@H]1CN(O)C(=O)[C@H]1Nc1ccc2c(c1)-n1c(=O)onc1CO2	ZINC001171366066	768129394	/nfs/dbraw/zinc/12/93/94/768129394.db2.gz	ROVKCPFEXGXPAC-MADCSZMMSA-N	-1	0	318.289	0.366	20	30		DCEDRM
CCOC([O-])=NC(=S)N=c1[nH]cccc1N[C@@H](C#N)C(N)=O	ZINC001170542860	763666177	/nfs/dbraw/zinc/66/61/77/763666177.db2.gz	RANNAXRGTFGTKT-QMMMGPOBSA-N	-1	0	322.350	0.314	20	30		DCEDRM
C#CCOCCC(=O)N[C@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001132029733	764210551	/nfs/dbraw/zinc/21/05/51/764210551.db2.gz	PDCNGLFYPGYFGA-NEPJUHHUSA-N	-1	0	321.381	0.019	20	30		DCEDRM
CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1ccncc1C#N	ZINC001103045986	764919461	/nfs/dbraw/zinc/91/94/61/764919461.db2.gz	KPOAUKZPZFNHNH-NSHDSACASA-N	-1	0	314.349	0.733	20	30		DCEDRM
CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1nccnc1C#N	ZINC001103046430	764920751	/nfs/dbraw/zinc/92/07/51/764920751.db2.gz	SSCYAOCYAIYMLF-VIFPVBQESA-N	-1	0	315.337	0.706	20	30		DCEDRM
CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccccc2C#N)CCC1	ZINC001116059363	765839352	/nfs/dbraw/zinc/83/93/52/765839352.db2.gz	VITBOKSIQPVEBD-UHFFFAOYSA-N	-1	0	321.358	0.279	20	30		DCEDRM
N#Cc1cccc(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c1	ZINC001117012758	765953281	/nfs/dbraw/zinc/95/32/81/765953281.db2.gz	RHJNTZLVLMTAMR-CYBMUJFWSA-N	-1	0	303.318	0.259	20	30		DCEDRM
CSCCO[N-]C(=O)C(=O)NCc1ccc(C#N)c(F)c1	ZINC001118098134	766222366	/nfs/dbraw/zinc/22/23/66/766222366.db2.gz	YGDJXAVIPGAYCN-UHFFFAOYSA-N	-1	0	311.338	0.724	20	30		DCEDRM
C=CCN(Cc1cccc(C#N)c1)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001136466167	766300537	/nfs/dbraw/zinc/30/05/37/766300537.db2.gz	JBDOJLOCUXFADI-UHFFFAOYSA-N	-1	0	313.317	0.776	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC001119334541	766635208	/nfs/dbraw/zinc/63/52/08/766635208.db2.gz	XTQCZUFEPUPOMH-YNEHKIRRSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C[C@H](CN(C)C(=O)c1cnc[nH]c1=O)Nc1cncc(C#N)n1	ZINC001120252320	766948460	/nfs/dbraw/zinc/94/84/60/766948460.db2.gz	MBUFZDWDBJIVHR-SECBINFHSA-N	-1	0	313.321	0.416	20	30		DCEDRM
C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NCS(=O)(=O)[O-]	ZINC001146229671	767412703	/nfs/dbraw/zinc/41/27/03/767412703.db2.gz	FREORALEZFJERI-PRHODGIISA-N	-1	0	320.367	0.417	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCC2	ZINC001122439546	767803977	/nfs/dbraw/zinc/80/39/77/767803977.db2.gz	FHRCIHOVEZNVGC-GFCCVEGCSA-N	-1	0	318.377	0.774	20	30		DCEDRM
CC(C)(C)SCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001137722661	768389022	/nfs/dbraw/zinc/38/90/22/768389022.db2.gz	ALOUOEXGWJRQPJ-UHFFFAOYSA-N	-1	0	324.406	0.859	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C12CCC2	ZINC001202845776	768428849	/nfs/dbraw/zinc/42/88/49/768428849.db2.gz	FDFPARJPWHQNGV-NWDGAFQWSA-N	-1	0	317.393	0.831	20	30		DCEDRM
N#Cc1nccnc1N1CCN(Cc2ccc(C(=O)[O-])o2)CC1	ZINC001140946625	768558276	/nfs/dbraw/zinc/55/82/76/768558276.db2.gz	UTVVUTSEWFXBEO-UHFFFAOYSA-N	-1	0	313.317	0.962	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC001171920070	769398899	/nfs/dbraw/zinc/39/88/99/769398899.db2.gz	UZVQUFYNIYOAPE-UHFFFAOYSA-N	-1	0	307.262	0.829	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccnc([N+](=O)[O-])c1	ZINC001233857710	769475300	/nfs/dbraw/zinc/47/53/00/769475300.db2.gz	OWHTXRIPIRKWAM-SNVBAGLBSA-N	-1	0	318.307	0.828	20	30		DCEDRM
N#Cc1cccc(-c2ccc(OC(=O)[C@H](O)CC(=O)[O-])nn2)c1	ZINC001233943988	769504211	/nfs/dbraw/zinc/50/42/11/769504211.db2.gz	UMGFPSVIWWLSMK-GFCCVEGCSA-N	-1	0	313.269	0.756	20	30		DCEDRM
CCC1=C(Oc2c(C(=O)OC)n[n-]c2C(=O)OC)C(=O)[C@@H](C)O1	ZINC001234190596	769579555	/nfs/dbraw/zinc/57/95/55/769579555.db2.gz	SYVPCDKFFPDUPR-ZCFIWIBFSA-N	-1	0	324.289	0.971	20	30		DCEDRM
C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001152782376	769639818	/nfs/dbraw/zinc/63/98/18/769639818.db2.gz	QQYSBYXWDLOIMP-SNVBAGLBSA-N	-1	0	323.397	0.166	20	30		DCEDRM
Cc1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1O	ZINC001153012364	769693892	/nfs/dbraw/zinc/69/38/92/769693892.db2.gz	PADIWUKOJJHSGA-UHFFFAOYSA-N	-1	0	300.274	0.473	20	30		DCEDRM
Nc1nonc1C(=N[O-])Nc1ccc(C(=O)NC2CC2)cc1	ZINC001175602391	769925383	/nfs/dbraw/zinc/92/53/83/769925383.db2.gz	RSBIPZNQHJIWIG-UHFFFAOYSA-N	-1	0	302.294	0.792	20	30		DCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc(-c2cnc(C#N)c(F)c2)nc1	ZINC001238993532	770165036	/nfs/dbraw/zinc/16/50/36/770165036.db2.gz	VKUJUWNZQZDIIB-UHFFFAOYSA-N	-1	0	320.305	0.979	20	30		DCEDRM
CC(C)(C#N)c1ccc(NC(=O)Cn2nn[n-]c2=S)cn1	ZINC001177735637	770538953	/nfs/dbraw/zinc/53/89/53/770538953.db2.gz	MBBOPINOYXTKIQ-UHFFFAOYSA-N	-1	0	303.351	0.797	20	30		DCEDRM
COC(=O)c1cc(C#N)cnc1NCC[N-]C(=O)C(F)(F)F	ZINC001156205774	770748537	/nfs/dbraw/zinc/74/85/37/770748537.db2.gz	RRSWEKMXOAASSZ-UHFFFAOYSA-N	-1	0	316.239	0.830	20	30		DCEDRM
CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N[C@@H]1CO[N-]C1=O	ZINC001156696165	770898055	/nfs/dbraw/zinc/89/80/55/770898055.db2.gz	ABKOEMPYCIDHJK-DTWKUNHWSA-N	-1	0	319.321	0.267	20	30		DCEDRM
C=CCCn1cc(CN[C@H](C)c2nc(C(=O)OCC)n[nH]2)nn1	ZINC001182604791	771520414	/nfs/dbraw/zinc/52/04/14/771520414.db2.gz	KTCKLOUYOCAYAD-SNVBAGLBSA-N	-1	0	319.369	1.000	20	30		DCEDRM
CNC(=O)NC1CCN(C(=O)CCC(=O)C2=CC=C[CH]2)CC1	ZINC001184244619	771763118	/nfs/dbraw/zinc/76/31/18/771763118.db2.gz	XBHRDBONQYHAJH-UHFFFAOYSA-N	-1	0	304.370	0.956	20	30		DCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)N[C@H]1COCCC12OCCO2	ZINC001184244787	771763190	/nfs/dbraw/zinc/76/31/90/771763190.db2.gz	VRKNOXJSWPOEDE-AWEZNQCLSA-N	-1	0	306.338	0.684	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1ncnc(OC)c1[N+](=O)[O-]	ZINC001158964658	771839774	/nfs/dbraw/zinc/83/97/74/771839774.db2.gz	FCZGZCJQAYZEHY-UHFFFAOYSA-N	-1	0	319.237	0.820	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1nnccc1C)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001159647357	771938784	/nfs/dbraw/zinc/93/87/84/771938784.db2.gz	NSLLVXZQIRJSBX-QMTHXVAHSA-N	-1	0	322.390	0.750	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC(=O)[C@H](C#N)C1	ZINC001185896701	771968372	/nfs/dbraw/zinc/96/83/72/771968372.db2.gz	WXZUHCZFDDMKGH-LLVKDONJSA-N	-1	0	322.342	0.797	20	30		DCEDRM
COCC#CCN1C[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1	ZINC001187531733	772198605	/nfs/dbraw/zinc/19/86/05/772198605.db2.gz	XTYAHPQTWRVJRA-QWHCGFSZSA-N	-1	0	318.377	0.220	20	30		DCEDRM
Cc1cnnc(N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])c1	ZINC001163066118	772451936	/nfs/dbraw/zinc/45/19/36/772451936.db2.gz	QFQMWNAECFYRHW-SNVBAGLBSA-N	-1	0	322.327	0.305	20	30		DCEDRM
Cc1ccnc(N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])c1	ZINC001163063576	772452080	/nfs/dbraw/zinc/45/20/80/772452080.db2.gz	PNWUXGUBRJIYJZ-LLVKDONJSA-N	-1	0	321.339	0.910	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2nc3cnccc3s2)c(C#N)c1=O	ZINC001164137947	772615820	/nfs/dbraw/zinc/61/58/20/772615820.db2.gz	FFVIXVKRXKZWHA-UHFFFAOYSA-N	-1	0	314.330	0.562	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnccc2C(N)=O)c1	ZINC001190616938	772645950	/nfs/dbraw/zinc/64/59/50/772645950.db2.gz	ASKIZYVKKVQOOL-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2cn(C)nc2C#N)cc1	ZINC001191578543	772785404	/nfs/dbraw/zinc/78/54/04/772785404.db2.gz	FPFUWGKEDYENBA-UHFFFAOYSA-N	-1	0	319.346	0.452	20	30		DCEDRM
CNc1nc(SC)ncc1C(=O)N(O)C(=N)c1nonc1N	ZINC001193098195	773004480	/nfs/dbraw/zinc/00/44/80/773004480.db2.gz	LVYLATRWKXHWIM-UHFFFAOYSA-N	-1	0	324.326	0.062	20	30		DCEDRM
N#Cc1cc(C(=O)N2Cc3ccnn3CC[C@H]2CO)ccc1[O-]	ZINC001193504300	773075413	/nfs/dbraw/zinc/07/54/13/773075413.db2.gz	QDPRLZHSMARJLA-AWEZNQCLSA-N	-1	0	312.329	0.867	20	30		DCEDRM
CCOC(=O)c1nnc(CNC(=O)c2ccc([O-])c(C#N)c2)o1	ZINC001193511214	773076074	/nfs/dbraw/zinc/07/60/74/773076074.db2.gz	AFOHSXCYBXOGBM-UHFFFAOYSA-N	-1	0	316.273	0.754	20	30		DCEDRM
COC(=O)[C@@H](NC(=O)c1ccc([O-])c(C#N)c1)C1CCOCC1	ZINC001193511879	773076371	/nfs/dbraw/zinc/07/63/71/773076371.db2.gz	GPGFXWJXBFIVFG-AWEZNQCLSA-N	-1	0	318.329	0.962	20	30		DCEDRM
COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cccc(C#N)c1[O-])C2	ZINC001193643009	773093510	/nfs/dbraw/zinc/09/35/10/773093510.db2.gz	VKCRIXVSXAQQAA-ZBEGNZNMSA-N	-1	0	316.313	0.525	20	30		DCEDRM
N#Cc1cccc(C(=O)NCC(=O)NCC(F)(F)F)c1[O-]	ZINC001193658666	773099563	/nfs/dbraw/zinc/09/95/63/773099563.db2.gz	DJBSXJUALCXOAC-UHFFFAOYSA-N	-1	0	301.224	0.672	20	30		DCEDRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)n1nc(N)c(C#N)c1N	ZINC001194261864	773169585	/nfs/dbraw/zinc/16/95/85/773169585.db2.gz	XUXVQAPEWUOJOH-UHFFFAOYSA-N	-1	0	323.316	0.807	20	30		DCEDRM
Cn1cccc1-c1cc(C(=O)N(O)C(=N)c2nonc2N)no1	ZINC001195988534	773512431	/nfs/dbraw/zinc/51/24/31/773512431.db2.gz	WRIUDLOQXQAGPT-UHFFFAOYSA-N	-1	0	317.265	0.502	20	30		DCEDRM
CCOC(=O)COc1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001211410466	773801434	/nfs/dbraw/zinc/80/14/34/773801434.db2.gz	QGAJUZPUGMUUBT-UHFFFAOYSA-N	-1	0	321.293	0.842	20	30		DCEDRM
CN1CCC(C#N)(NS(=O)(=O)c2ccccc2C(=O)[O-])CC1	ZINC001198807525	773987341	/nfs/dbraw/zinc/98/73/41/773987341.db2.gz	MDODSAQPFJNMNQ-UHFFFAOYSA-N	-1	0	323.374	0.651	20	30		DCEDRM
C=CC[C@H]1[NH2+]CCC[C@H]1Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21	ZINC001218451673	774226180	/nfs/dbraw/zinc/22/61/80/774226180.db2.gz	LGATZKVTKGKITG-HTQZYQBOSA-N	-1	0	319.321	0.612	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)cnn2C)cc1C#N	ZINC001201292152	774477858	/nfs/dbraw/zinc/47/78/58/774477858.db2.gz	BNUNADXUNLLJHR-UHFFFAOYSA-N	-1	0	319.346	0.500	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]c2oncc2C(N)=O)cc1C#N	ZINC001201295066	774483920	/nfs/dbraw/zinc/48/39/20/774483920.db2.gz	JWFSTWCYPNJBQV-UHFFFAOYSA-N	-1	0	306.303	0.754	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001222072721	775262650	/nfs/dbraw/zinc/26/26/50/775262650.db2.gz	VZGCDDJHSGYFRD-IJLUTSLNSA-N	-1	0	321.381	0.134	20	30		DCEDRM
C=CCn1cc(-c2ccc(S(=O)(=O)[N-]C(C)=O)cn2)cn1	ZINC001222383152	775337731	/nfs/dbraw/zinc/33/77/31/775337731.db2.gz	YBDVJSLJPUPWQZ-UHFFFAOYSA-N	-1	0	306.347	0.956	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cnc(C)nc1C	ZINC001225408300	775674997	/nfs/dbraw/zinc/67/49/97/775674997.db2.gz	ZDIPCKIKQAEQDF-LLVKDONJSA-N	-1	0	302.352	0.931	20	30		DCEDRM
CN1[C@@H]2C[C@@H](Oc3ccc(S(=O)(=O)[O-])cc3)C[C@H]1[C@@H]1O[C@@H]12	ZINC001225511681	775689361	/nfs/dbraw/zinc/68/93/61/775689361.db2.gz	AZXQAULHJGSOCZ-VSSGSJIUSA-N	-1	0	311.359	0.925	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncccc1[N+](=O)[O-]	ZINC001225593771	775698613	/nfs/dbraw/zinc/69/86/13/775698613.db2.gz	YIVWAELCKGKJSW-SECBINFHSA-N	-1	0	318.307	0.828	20	30		DCEDRM
N#Cc1cc2ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc2oc1=O	ZINC001227378705	775968561	/nfs/dbraw/zinc/96/85/61/775968561.db2.gz	DSRZUQSITKZXFY-JTQLQIEISA-N	-1	0	303.226	0.406	20	30		DCEDRM
N#CCN1CC[C@@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1	ZINC001228602385	776101422	/nfs/dbraw/zinc/10/14/22/776101422.db2.gz	AOMUKYHGMLAGJX-SECBINFHSA-N	-1	0	305.294	0.944	20	30		DCEDRM
CCOC(=O)C[C@@H](Oc1[n-]c(=O)ccc1C#N)C(=O)OCC	ZINC001228899357	776135957	/nfs/dbraw/zinc/13/59/57/776135957.db2.gz	VWYVYTAAWQUWMX-SNVBAGLBSA-N	-1	0	308.290	0.923	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc[nH]c1C(=O)OC	ZINC001230505802	776325327	/nfs/dbraw/zinc/32/53/27/776325327.db2.gz	YVPAKKUUOTYQCU-SECBINFHSA-N	-1	0	319.335	0.639	20	30		DCEDRM
N#Cc1nc(NC(=O)C2(Br)CC2)[n-]c1-c1nn[nH]n1	ZINC001592681296	1167598306	/nfs/dbraw/zinc/59/83/06/1167598306.db2.gz	POJCCJJWZKLLMZ-UHFFFAOYSA-N	-1	0	323.114	0.327	20	30		DCEDRM
N#C[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CCCCC1	ZINC001601049276	1168577675	/nfs/dbraw/zinc/57/76/75/1168577675.db2.gz	KLYPQFKPWZOMFL-SNVBAGLBSA-N	-1	0	312.351	0.859	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H](CC#CC)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001602684627	1169158433	/nfs/dbraw/zinc/15/84/33/1169158433.db2.gz	BZHIOCBSSJJXRH-NWDGAFQWSA-N	-1	0	322.361	0.886	20	30		DCEDRM
C#CC[C@@H](COC)NS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC001602683534	1169158442	/nfs/dbraw/zinc/15/84/42/1169158442.db2.gz	RCJKXYGRKMCALU-ZDUSSCGKSA-N	-1	0	311.359	0.843	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C(=O)[O-])n1C)C(=O)OC	ZINC001602913315	1169203870	/nfs/dbraw/zinc/20/38/70/1169203870.db2.gz	NLQBLNZPXUCPFF-VIFPVBQESA-N	-1	0	310.306	0.197	20	30		DCEDRM
CC(C)(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001481669806	940026109	/nfs/dbraw/zinc/02/61/09/940026109.db2.gz	DTVYESCPIDQNCT-QWRGUYRKSA-N	-1	0	303.366	0.345	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC001610920709	970791218	/nfs/dbraw/zinc/79/12/18/970791218.db2.gz	USOOPJMEGDMJPB-UHFFFAOYSA-N	-1	0	307.281	0.247	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC001412846046	942105524	/nfs/dbraw/zinc/10/55/24/942105524.db2.gz	DSOPHAJOISYNJO-JTQLQIEISA-N	-1	0	304.335	0.903	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](CO)c2c(F)cccc2F)c(C#N)c1=O	ZINC001412870017	942117452	/nfs/dbraw/zinc/11/74/52/942117452.db2.gz	OQLJXEJOQSIEDU-JTQLQIEISA-N	-1	0	322.271	0.369	20	30		DCEDRM
CC(=O)N1CCC[C@@H](CNC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001412920389	942139845	/nfs/dbraw/zinc/13/98/45/942139845.db2.gz	WABYMUOWBMYOSH-LBPRGKRZSA-N	-1	0	316.361	0.956	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])nn1CCC#N	ZINC001611150493	970913869	/nfs/dbraw/zinc/91/38/69/970913869.db2.gz	GCOBBFYJDZCQQX-MRVPVSSYSA-N	-1	0	307.310	0.023	20	30		DCEDRM
C[C@H]1CC[C@H](CCC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)O1	ZINC001413310384	942620449	/nfs/dbraw/zinc/62/04/49/942620449.db2.gz	PIBJVKQCPIUYEK-CMPLNLGQSA-N	-1	0	320.349	0.284	20	30		DCEDRM
C=CCN1C[C@@]2(F)CN(C(=O)c3cc(=O)[nH][n-]3)C[C@@]2(F)C1=O	ZINC001272282360	942659264	/nfs/dbraw/zinc/65/92/64/942659264.db2.gz	BFNOVXMLLIVYPA-CHWSQXEVSA-N	-1	0	312.276	0.016	20	30		DCEDRM
C#CCN1CC[C@]2(CCCN(C(=O)c3cc(=O)[nH][n-]3)CC2)C1=O	ZINC001272282800	942660577	/nfs/dbraw/zinc/66/05/77/942660577.db2.gz	KHYIFTAEGFLODW-MRXNPFEDSA-N	-1	0	316.361	0.593	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001601063893	970926397	/nfs/dbraw/zinc/92/63/97/970926397.db2.gz	DCEYZTWEAXQUGK-UTUOFQBUSA-N	-1	0	307.350	0.508	20	30		DCEDRM
N#Cc1ccc(CNC(=O)NCC2(C(=O)[O-])CCOCC2)nc1	ZINC001601101440	970931805	/nfs/dbraw/zinc/93/18/05/970931805.db2.gz	QQYCPFHJQFALSW-UHFFFAOYSA-N	-1	0	318.333	0.634	20	30		DCEDRM
C=CCCCN1CCc2cc(C(=O)N=c3nn[n-]n3C)[nH]c2C1	ZINC001277758756	944969075	/nfs/dbraw/zinc/96/90/75/944969075.db2.gz	WUXTZSRZNCHTDY-UHFFFAOYSA-N	-1	0	315.381	0.537	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C)c2ccccc21	ZINC001319767752	945662052	/nfs/dbraw/zinc/66/20/52/945662052.db2.gz	VVRNOSGWZSJSLA-LLVKDONJSA-N	-1	0	308.359	0.769	20	30		DCEDRM
CN(C)S(=O)(=O)[N-]c1cc(Br)cnc1C#N	ZINC001251051382	945733072	/nfs/dbraw/zinc/73/30/72/945733072.db2.gz	HWKSHVZYQVXXCU-UHFFFAOYSA-N	-1	0	305.157	0.934	20	30		DCEDRM
N#Cc1cnn2c1[nH]c(=O)cc2[N-]S(=O)(=O)C(F)(F)F	ZINC001252282771	945880599	/nfs/dbraw/zinc/88/05/99/945880599.db2.gz	RBPZNZMIKJPALE-UHFFFAOYSA-N	-1	0	307.213	0.568	20	30		DCEDRM
O=C([O-])CCOc1ccc(C=Nn2c(=O)cn[nH]c2=S)cc1	ZINC001321171117	946200389	/nfs/dbraw/zinc/20/03/89/946200389.db2.gz	WXPBRZBJORSTSJ-UHFFFAOYSA-N	-1	0	320.330	0.663	20	30		DCEDRM
C#C[C@H](CCC)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001602672380	971237385	/nfs/dbraw/zinc/23/73/85/971237385.db2.gz	MFVBKMGUQJWJIU-NEPJUHHUSA-N	-1	0	309.366	0.553	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001602675352	971247552	/nfs/dbraw/zinc/24/75/52/971247552.db2.gz	RSRMBQSQWSDOJQ-XQQFMLRXSA-N	-1	0	306.362	0.618	20	30		DCEDRM
C=CC[C@@H](NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C(=O)[O-]	ZINC001256549809	946641468	/nfs/dbraw/zinc/64/14/68/946641468.db2.gz	CMEXNYGKNNEUEZ-SNVBAGLBSA-N	-1	0	310.310	0.944	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC)cc1)C(=O)[O-]	ZINC001256560614	946644301	/nfs/dbraw/zinc/64/43/01/946644301.db2.gz	RYOQTTXOFWQXMG-LLVKDONJSA-N	-1	0	312.347	0.354	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1	ZINC001602678775	971256934	/nfs/dbraw/zinc/25/69/34/971256934.db2.gz	FZRWPICINIAEKJ-LLVKDONJSA-N	-1	0	313.317	0.448	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCC(=O)Nc1nnc(C2CC2)o1	ZINC001602682112	971265236	/nfs/dbraw/zinc/26/52/36/971265236.db2.gz	GNWIPORIOXPDBO-UHFFFAOYSA-N	-1	0	320.305	0.212	20	30		DCEDRM
COc1nc(NS(=O)(=O)c2ccc(C#N)cc2)cc(=O)[n-]1	ZINC001258039298	946793135	/nfs/dbraw/zinc/79/31/35/946793135.db2.gz	OCCVEELZNYJYKE-UHFFFAOYSA-N	-1	0	306.303	0.863	20	30		DCEDRM
Cc1cnn(CCO)c1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC001258053509	946794486	/nfs/dbraw/zinc/79/44/86/946794486.db2.gz	FCGDLBGXWBDYRX-UHFFFAOYSA-N	-1	0	306.347	0.856	20	30		DCEDRM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cnc(C#N)nc1	ZINC001258351910	946823590	/nfs/dbraw/zinc/82/35/90/946823590.db2.gz	CEYAQQBXDOBKMJ-UHFFFAOYSA-N	-1	0	312.742	0.844	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1[nH]c(C)c(C(=O)OCC)c1C	ZINC001602691161	971293347	/nfs/dbraw/zinc/29/33/47/971293347.db2.gz	ACZDRTFIBNLVPC-UHFFFAOYSA-N	-1	0	306.318	0.968	20	30		DCEDRM
C[C@H]1CN(O)C(=O)[C@H]1[N-]S(=O)(=O)c1c(F)cccc1F	ZINC001259071265	946911334	/nfs/dbraw/zinc/91/13/34/946911334.db2.gz	MHKASDBQHHWUSP-RCOVLWMOSA-N	-1	0	306.290	0.479	20	30		DCEDRM
Cc1nn(C)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1C(N)=O	ZINC001259117644	946916395	/nfs/dbraw/zinc/91/63/95/946916395.db2.gz	SJQFYCQFMPJUBU-UHFFFAOYSA-N	-1	0	319.346	0.500	20	30		DCEDRM
COC(=O)[C@@H](Cc1ccc(C#N)cc1)[N-]S(=O)(=O)C(F)F	ZINC001259964827	947039921	/nfs/dbraw/zinc/03/99/21/947039921.db2.gz	JSUDBOFEGOWKDS-SNVBAGLBSA-N	-1	0	318.301	0.784	20	30		DCEDRM
C=C(Cl)CN1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001573296153	947041396	/nfs/dbraw/zinc/04/13/96/947041396.db2.gz	ZSPRXOKVFNSSGW-UHFFFAOYSA-N	-1	0	321.772	0.609	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ccnc(OC)n2)n1CC	ZINC001602699390	971317065	/nfs/dbraw/zinc/31/70/65/971317065.db2.gz	QPQXZAMZWZAOIE-UHFFFAOYSA-N	-1	0	316.321	0.288	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]c2nccnc2C(N)=O)cc1	ZINC001260038672	947052444	/nfs/dbraw/zinc/05/24/44/947052444.db2.gz	RKOUMXUZUCCAMO-UHFFFAOYSA-N	-1	0	317.330	0.389	20	30		DCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1	ZINC001260209539	947084247	/nfs/dbraw/zinc/08/42/47/947084247.db2.gz	KQGHHCWUHDYGBO-UHFFFAOYSA-N	-1	0	322.277	0.986	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2cc[nH]n2)n1CC1CC1	ZINC001602700963	971323983	/nfs/dbraw/zinc/32/39/83/971323983.db2.gz	QBJJSQTYUSCQGG-UHFFFAOYSA-N	-1	0	314.349	0.526	20	30		DCEDRM
C=C(C)C(=O)OCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC001260229994	947088230	/nfs/dbraw/zinc/08/82/30/947088230.db2.gz	XCRKEXOWEPWCHE-UHFFFAOYSA-N	-1	0	313.331	0.782	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CCC1=O	ZINC001260395994	947097177	/nfs/dbraw/zinc/09/71/77/947097177.db2.gz	IUKIPWUAZBJGRZ-QMMMGPOBSA-N	-1	0	324.314	0.194	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)[N-]c2cncc(C#N)n2)c1	ZINC001260839556	947152467	/nfs/dbraw/zinc/15/24/67/947152467.db2.gz	JJACPZIOQKJTHQ-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001602709754	971347552	/nfs/dbraw/zinc/34/75/52/971347552.db2.gz	JLOQJBXFPDJVQE-LBPRGKRZSA-N	-1	0	312.366	0.455	20	30		DCEDRM
C=C[C@@H](C(=O)OC)n1cc(CN2CCC(C(=O)[O-])CC2)nn1	ZINC001602713252	971362086	/nfs/dbraw/zinc/36/20/86/971362086.db2.gz	VFLZAWCWZIKQBP-LBPRGKRZSA-N	-1	0	308.338	0.475	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)CC2)CC1	ZINC001324266954	947371604	/nfs/dbraw/zinc/37/16/04/947371604.db2.gz	VBMHZXZPLGXRBV-SNVBAGLBSA-N	-1	0	300.380	0.457	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)C(=O)OCC	ZINC001602718726	971375943	/nfs/dbraw/zinc/37/59/43/971375943.db2.gz	UKKVLMNHWVOUHR-UTUOFQBUSA-N	-1	0	313.350	0.880	20	30		DCEDRM
C=CCN(Cc1cc(C(=O)[O-])nn1C)[C@H]1CCS(=O)(=O)C1	ZINC001602722729	971389039	/nfs/dbraw/zinc/38/90/39/971389039.db2.gz	KDNOJDDVMULJPR-JTQLQIEISA-N	-1	0	313.379	0.293	20	30		DCEDRM
C=CCOc1ccc(CNC(=O)c2cn(CC(=O)[O-])nn2)cc1	ZINC001602728768	971396532	/nfs/dbraw/zinc/39/65/32/971396532.db2.gz	CPSPIJNZENYYKA-UHFFFAOYSA-N	-1	0	316.317	0.858	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1	ZINC001262176477	947593112	/nfs/dbraw/zinc/59/31/12/947593112.db2.gz	OGBZUNFKNOIJDD-LLVKDONJSA-N	-1	0	307.354	0.281	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCC[S@@](C)=O)cc1C#N	ZINC001262199472	947599644	/nfs/dbraw/zinc/59/96/44/947599644.db2.gz	PHLVHIZPFBXGRK-HXUWFJFHSA-N	-1	0	313.404	0.879	20	30		DCEDRM
C#CCN(CC)C(=O)c1cc(=O)cc(C(=O)N(CC)CC#C)[n-]1	ZINC001262283228	947632674	/nfs/dbraw/zinc/63/26/74/947632674.db2.gz	JODZUKVHPXJCNZ-UHFFFAOYSA-N	-1	0	313.357	0.566	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)N(CC)c1ccccc1	ZINC001325326840	947757022	/nfs/dbraw/zinc/75/70/22/947757022.db2.gz	DSUFTMBQTOOOKU-GFCCVEGCSA-N	-1	0	310.375	0.912	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N	ZINC001262969766	947791803	/nfs/dbraw/zinc/79/18/03/947791803.db2.gz	QFJYWQGEGFNKKA-ZYHUDNBSSA-N	-1	0	313.365	0.817	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1	ZINC001326222855	948100777	/nfs/dbraw/zinc/10/07/77/948100777.db2.gz	SSGAUUSEUJZEAJ-XQQFMLRXSA-N	-1	0	324.377	0.359	20	30		DCEDRM
C=CC[C@@H](NC(=O)Cn1nnnc1-c1ccsc1)C(=O)[O-]	ZINC001326420376	948157245	/nfs/dbraw/zinc/15/72/45/948157245.db2.gz	FFZYLFWEPIUUPF-SECBINFHSA-N	-1	0	307.335	0.547	20	30		DCEDRM
C=CC[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)[O-]	ZINC001327014385	948363642	/nfs/dbraw/zinc/36/36/42/948363642.db2.gz	SXKIDXLDSJDGCT-MRVPVSSYSA-N	-1	0	318.376	0.084	20	30		DCEDRM
N#Cc1ncc(N2C[C@@]3(CCCO3)[C@H]2C2CC2)nc1-c1nnn[n-]1	ZINC001570923201	948656445	/nfs/dbraw/zinc/65/64/45/948656445.db2.gz	VOMWVIRDRBFBHQ-HIFRSBDPSA-N	-1	0	324.348	0.676	20	30		DCEDRM
C[C@@]1(C(F)F)CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCO1	ZINC001570931032	948832408	/nfs/dbraw/zinc/83/24/08/948832408.db2.gz	JYXAUQOMIAPGOV-LBPRGKRZSA-N	-1	0	322.279	0.389	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](C(=O)N2CCCC2)C1	ZINC001602779141	971514243	/nfs/dbraw/zinc/51/42/43/971514243.db2.gz	SCIOTVWQGCLGID-ABAIWWIYSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@](C#N)(NC(=O)c1cn(CC(=O)[O-])nn1)C1CCCCC1	ZINC001602786009	971530338	/nfs/dbraw/zinc/53/03/38/971530338.db2.gz	AWBWQRBFTIWDFN-CQSZACIVSA-N	-1	0	305.338	0.955	20	30		DCEDRM
CSc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)ccn1	ZINC001364515901	949464145	/nfs/dbraw/zinc/46/41/45/949464145.db2.gz	QFJLFXRHPVYCEQ-UHFFFAOYSA-N	-1	0	317.330	0.576	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1C[C@@H]3C[C@H]1C[S@@]3=O)cc2=O	ZINC001364741040	949852680	/nfs/dbraw/zinc/85/26/80/949852680.db2.gz	GIAFOMDXBDXDRD-HJTOQOCKSA-N	-1	0	303.347	0.012	20	30		DCEDRM
CCN(C(=O)C(=O)Nc1cc(C)c(C#N)cn1)[C@H](C)C(=O)[O-]	ZINC001589696988	950173207	/nfs/dbraw/zinc/17/32/07/950173207.db2.gz	GICJOFWBFRRYEI-SECBINFHSA-N	-1	0	304.306	0.522	20	30		DCEDRM
Cc1ccnc(NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001365048059	950414247	/nfs/dbraw/zinc/41/42/47/950414247.db2.gz	RSDFBFBDVDSWKX-UHFFFAOYSA-N	-1	0	314.305	0.346	20	30		DCEDRM
C=CCOCC(=O)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001330486716	950450938	/nfs/dbraw/zinc/45/09/38/950450938.db2.gz	DZSRCNPPAQKOMX-UHFFFAOYSA-N	-1	0	321.381	0.137	20	30		DCEDRM
COc1nn(C)cc1CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001365158171	950630632	/nfs/dbraw/zinc/63/06/32/950630632.db2.gz	KLNJLQBFUAPCTR-UHFFFAOYSA-N	-1	0	301.306	0.639	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001365191063	950703318	/nfs/dbraw/zinc/70/33/18/950703318.db2.gz	RIKYJNZGCOEGAU-UHFFFAOYSA-N	-1	0	309.285	0.639	20	30		DCEDRM
C[C@H]1CC[C@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001365328591	950967535	/nfs/dbraw/zinc/96/75/35/950967535.db2.gz	HIXMQVPETVCBJI-UMSPYCQHSA-N	-1	0	319.365	0.698	20	30		DCEDRM
COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1ccnc(C#N)c1	ZINC001365749758	951501438	/nfs/dbraw/zinc/50/14/38/951501438.db2.gz	XCCLNSXSHMAWAC-UHFFFAOYSA-N	-1	0	321.314	0.811	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(=O)n(CCOC)c1	ZINC001332627568	951728692	/nfs/dbraw/zinc/72/86/92/951728692.db2.gz	IFTJINYLCQJANP-UHFFFAOYSA-N	-1	0	309.322	0.057	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CCCCC1	ZINC001332770746	951791780	/nfs/dbraw/zinc/79/17/80/951791780.db2.gz	KEJGDENWSYAJBZ-GFCCVEGCSA-N	-1	0	309.366	0.661	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1ccc(=O)n(CCCOC)n1)C(=O)[O-]	ZINC001333521650	952088277	/nfs/dbraw/zinc/08/82/77/952088277.db2.gz	FCELVBUVHDMPPP-LLVKDONJSA-N	-1	0	309.322	0.039	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@]2(C)CCNC2=O)cc1C#N	ZINC001411562284	952273198	/nfs/dbraw/zinc/27/31/98/952273198.db2.gz	RZXRKQOBRGWSPM-CYBMUJFWSA-N	-1	0	306.347	0.389	20	30		DCEDRM
CO[C@@H]1CCC[C@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001411953038	952566575	/nfs/dbraw/zinc/56/65/75/952566575.db2.gz	OREYPXLAPGGFRZ-CMPLNLGQSA-N	-1	0	320.349	0.142	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC[C@]12CCOC2	ZINC001412059330	952625904	/nfs/dbraw/zinc/62/59/04/952625904.db2.gz	VKIUFDJVLPTLIU-OAHLLOKOSA-N	-1	0	303.318	0.599	20	30		DCEDRM
COCC1(O)CN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C1	ZINC001412181828	952682059	/nfs/dbraw/zinc/68/20/59/952682059.db2.gz	VADADXFQZHEURT-UHFFFAOYSA-N	-1	0	309.347	0.214	20	30		DCEDRM
C[C@@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)CC(F)(F)F	ZINC001412247062	952717217	/nfs/dbraw/zinc/71/72/17/952717217.db2.gz	LTPRWKZIUHANKF-SSDOTTSWSA-N	-1	0	318.255	0.525	20	30		DCEDRM
COC(=O)N(C)CCN(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412355782	952760149	/nfs/dbraw/zinc/76/01/49/952760149.db2.gz	SLBNQYGCXHAJSA-UHFFFAOYSA-N	-1	0	306.322	0.738	20	30		DCEDRM
CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412512377	952858664	/nfs/dbraw/zinc/85/86/64/952858664.db2.gz	FPNIXRSJUQYDOF-NWDGAFQWSA-N	-1	0	305.334	0.843	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CC3(C2)SCC[C@H]3C(N)=O)c1[O-]	ZINC001276215072	953012835	/nfs/dbraw/zinc/01/28/35/953012835.db2.gz	DCLHWWNZMYVIDY-NSHDSACASA-N	-1	0	317.370	0.697	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CCOCC2(CCC2)C1	ZINC001339091455	953072428	/nfs/dbraw/zinc/07/24/28/953072428.db2.gz	UMVFHACMRIPGML-UHFFFAOYSA-N	-1	0	316.369	0.651	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)CCCn1c(=O)[n-][nH]c1=O)CC2	ZINC001412773216	953086240	/nfs/dbraw/zinc/08/62/40/953086240.db2.gz	IYSTXKOXLIUWBK-UHFFFAOYSA-N	-1	0	313.317	0.930	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@@H]1CC[C@@H]1OC	ZINC001339710724	953114455	/nfs/dbraw/zinc/11/44/55/953114455.db2.gz	SFXQFZJPCZVLGN-MNOVXSKESA-N	-1	0	304.354	0.302	20	30		DCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N1CCCC(F)(F)C1	ZINC001340360015	953164265	/nfs/dbraw/zinc/16/42/65/953164265.db2.gz	YGRXCGWKTHIJIX-UHFFFAOYSA-N	-1	0	324.339	0.998	20	30		DCEDRM
C#CCOCCN(C)CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC001341256666	953219539	/nfs/dbraw/zinc/21/95/39/953219539.db2.gz	OOAZTYVVYSJSGI-UHFFFAOYSA-N	-1	0	307.375	0.590	20	30		DCEDRM
C=CCN(c1nnc(-c2cc(=O)[nH][n-]2)n1CCOC)C1CC1	ZINC001341390747	953227738	/nfs/dbraw/zinc/22/77/38/953227738.db2.gz	CXVHOADRBYBTEY-UHFFFAOYSA-N	-1	0	304.354	0.303	20	30		DCEDRM
C=CCN(CCOC)c1nnc(Cc2nn[nH]n2)n1CC(C)C	ZINC001342912273	953314157	/nfs/dbraw/zinc/31/41/57/953314157.db2.gz	XUDGPBUEJWVZBZ-UHFFFAOYSA-N	-1	0	320.401	0.677	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn2c(n1)CCCC2	ZINC001343378443	953341633	/nfs/dbraw/zinc/34/16/33/953341633.db2.gz	QZSIODVTAXOOCX-NSHDSACASA-N	-1	0	304.350	0.695	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCSC2	ZINC001346132945	953807986	/nfs/dbraw/zinc/80/79/86/953807986.db2.gz	ONQDVYRIQCPPSI-SECBINFHSA-N	-1	0	304.375	0.834	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCCO[C@@H](C)C1	ZINC001346517426	953908419	/nfs/dbraw/zinc/90/84/19/953908419.db2.gz	ZPSSWUDUMWQTQX-NSHDSACASA-N	-1	0	318.381	0.693	20	30		DCEDRM
C=C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1ccccc1	ZINC001348383624	954290310	/nfs/dbraw/zinc/29/03/10/954290310.db2.gz	YEJZCTSYNCVBKO-LBPRGKRZSA-N	-1	0	310.375	0.538	20	30		DCEDRM
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001593756755	954459610	/nfs/dbraw/zinc/45/96/10/954459610.db2.gz	FGMLOEOPGIYWNY-JTQLQIEISA-N	-1	0	321.358	0.511	20	30		DCEDRM
CCCN(CCNC(=O)c1ccc(C#N)[nH]1)Cc1n[nH]c(=O)[n-]1	ZINC001366715913	954707035	/nfs/dbraw/zinc/70/70/35/954707035.db2.gz	NFBGCGNGNFILOR-UHFFFAOYSA-N	-1	0	317.353	0.352	20	30		DCEDRM
C#CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@H]1CCCCO1	ZINC001349537783	954789768	/nfs/dbraw/zinc/78/97/68/954789768.db2.gz	AIWWVIVTDDNMTJ-LLVKDONJSA-N	-1	0	316.365	0.141	20	30		DCEDRM
C#CCCCCNC(=O)C(=O)NCc1ccccc1C(=O)[O-]	ZINC001349937885	954936049	/nfs/dbraw/zinc/93/60/49/954936049.db2.gz	PKZCWDGJNZMEEU-UHFFFAOYSA-N	-1	0	302.330	0.921	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001284288472	954990207	/nfs/dbraw/zinc/99/02/07/954990207.db2.gz	LEDGERYTFFZIFW-MRVPVSSYSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccccc1NCC	ZINC001350267341	955040877	/nfs/dbraw/zinc/04/08/77/955040877.db2.gz	BFCYBLHAMOLUSM-UHFFFAOYSA-N	-1	0	310.375	0.963	20	30		DCEDRM
C=CC[C@H](NC(=O)N[C@@H](COC)[C@@H]1CCCOC1)C(=O)[O-]	ZINC001350694295	955168401	/nfs/dbraw/zinc/16/84/01/955168401.db2.gz	YMMIEYATUGRGBE-WOPDTQHZSA-N	-1	0	300.355	0.757	20	30		DCEDRM
Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)CSCC#N)C2)cn1	ZINC001594538674	955607137	/nfs/dbraw/zinc/60/71/37/955607137.db2.gz	GBGKEXKEUSAKDK-QWRGUYRKSA-N	-1	0	322.390	0.694	20	30		DCEDRM
Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)CSCC#N)C2)cn1	ZINC001594538676	955607240	/nfs/dbraw/zinc/60/72/40/955607240.db2.gz	GBGKEXKEUSAKDK-WDEREUQCSA-N	-1	0	322.390	0.694	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(CCCNC(=O)[C@H](C)C#N)C2CC2)c1[O-]	ZINC001352603926	955685304	/nfs/dbraw/zinc/68/53/04/955685304.db2.gz	WLDGFNRFCVKKIF-SECBINFHSA-N	-1	0	319.365	0.694	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC001593906444	955920808	/nfs/dbraw/zinc/92/08/08/955920808.db2.gz	XFVJUTWVDZMKPT-KBPBESRZSA-N	-1	0	317.345	0.495	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)c1cc(O)cc(C#N)c1)C(=O)[O-]	ZINC001594589750	956042340	/nfs/dbraw/zinc/04/23/40/956042340.db2.gz	RFCPWXHXHQPJOY-GFCCVEGCSA-N	-1	0	300.274	0.553	20	30		DCEDRM
N#CC1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCOCC1	ZINC001594604447	956162508	/nfs/dbraw/zinc/16/25/08/956162508.db2.gz	VOUHNMNCAXBVIW-NHYWBVRUSA-N	-1	0	323.349	0.049	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1	ZINC001594606002	956175731	/nfs/dbraw/zinc/17/57/31/956175731.db2.gz	OGPCAAFTTORZDJ-HNNXBMFYSA-N	-1	0	305.334	0.382	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1	ZINC001594606072	956177467	/nfs/dbraw/zinc/17/74/67/956177467.db2.gz	NUAWEUZLAMHQDV-LBPRGKRZSA-N	-1	0	309.366	0.900	20	30		DCEDRM
N#CCOc1cccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC001594609562	956193114	/nfs/dbraw/zinc/19/31/14/956193114.db2.gz	DKIIBAVODOQKRS-ZDUSSCGKSA-N	-1	0	319.317	0.584	20	30		DCEDRM
N#CCCc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC001594610408	956202289	/nfs/dbraw/zinc/20/22/89/956202289.db2.gz	QZPAIQSYBZFTJC-CQSZACIVSA-N	-1	0	324.358	0.665	20	30		DCEDRM
N#CCc1ccnc(NC(=O)NCCOCCOCC(=O)[O-])c1	ZINC001594610998	956209195	/nfs/dbraw/zinc/20/91/95/956209195.db2.gz	KZBBQNMCZBCYEK-UHFFFAOYSA-N	-1	0	322.321	0.387	20	30		DCEDRM
N#CCSCC(=O)O[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001594611288	956212186	/nfs/dbraw/zinc/21/21/86/956212186.db2.gz	LLSKTRSNKQHKCX-VIFPVBQESA-N	-1	0	300.336	0.252	20	30		DCEDRM
C/C(=C\C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C1CC1	ZINC001353931861	956232948	/nfs/dbraw/zinc/23/29/48/956232948.db2.gz	HNKZINCTQKQWDR-RUDMXATFSA-N	-1	0	300.318	0.560	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cs1	ZINC001594617048	956244605	/nfs/dbraw/zinc/24/46/05/956244605.db2.gz	WNDQPYJKYXUZSO-LLVKDONJSA-N	-1	0	321.358	0.815	20	30		DCEDRM
C=CC[C@H](NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1)C(=O)[O-]	ZINC001354039565	956256835	/nfs/dbraw/zinc/25/68/35/956256835.db2.gz	QZPIGOBKVPMCLP-BDAKNGLRSA-N	-1	0	309.288	0.952	20	30		DCEDRM
N#Cc1ccc(C2(NC(=O)COCC(=O)[O-])CCOCC2)cc1	ZINC001594618657	956265708	/nfs/dbraw/zinc/26/57/08/956265708.db2.gz	VNNLMMQOPNWXES-UHFFFAOYSA-N	-1	0	318.329	0.781	20	30		DCEDRM
N#Cc1ccc(NCC(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)cc1	ZINC001594623035	956294765	/nfs/dbraw/zinc/29/47/65/956294765.db2.gz	UEIURWKIWDJQHK-LBPRGKRZSA-N	-1	0	317.301	0.199	20	30		DCEDRM
CC1(C)CCC[C@H](n2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)C1=O	ZINC001589225708	956791251	/nfs/dbraw/zinc/79/12/51/956791251.db2.gz	CUYZTFSUDXTWJY-JTQLQIEISA-N	-1	0	319.317	0.287	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H]2COC[C@@H]2C1	ZINC001356547178	956894635	/nfs/dbraw/zinc/89/46/35/956894635.db2.gz	LBHXIFHLPIUDCZ-PHIMTYICSA-N	-1	0	316.365	0.161	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001357415832	957279150	/nfs/dbraw/zinc/27/91/50/957279150.db2.gz	HTSNWZVARZQKRY-MWLCHTKSSA-N	-1	0	324.381	0.233	20	30		DCEDRM
CCOC(=O)c1cc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cn1C	ZINC001413884102	957690246	/nfs/dbraw/zinc/69/02/46/957690246.db2.gz	OMONGYOPLXOERL-UHFFFAOYSA-N	-1	0	317.305	0.204	20	30		DCEDRM
Cc1cn2nnc(C(=O)Nc3cc(C#N)ccc3[O-])c2c(=O)[nH]1	ZINC001295827608	957823806	/nfs/dbraw/zinc/82/38/06/957823806.db2.gz	GFWNNCBDZVGCHK-UHFFFAOYSA-N	-1	0	310.273	0.968	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccc(F)cc1	ZINC001588372887	957966531	/nfs/dbraw/zinc/96/65/31/957966531.db2.gz	VHCRJYJNEMEHFO-CHWSQXEVSA-N	-1	0	306.293	0.995	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(OCC)c(F)c1	ZINC001588394500	958034946	/nfs/dbraw/zinc/03/49/46/958034946.db2.gz	FPFNYJVBVHNJHE-UHFFFAOYSA-N	-1	0	322.292	0.709	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(Cl)c(F)c1	ZINC001588396276	958048772	/nfs/dbraw/zinc/04/87/72/958048772.db2.gz	XLWOZLWKVWKNBQ-UHFFFAOYSA-N	-1	0	312.684	0.964	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@]1(C)Oc2ccccc2NC1=O	ZINC001588397445	958057670	/nfs/dbraw/zinc/05/76/70/958057670.db2.gz	IMGVNVANTCWRNM-OAHLLOKOSA-N	-1	0	302.286	0.323	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1	ZINC001588397587	958059975	/nfs/dbraw/zinc/05/99/75/958059975.db2.gz	MVOJMVZUXRMRGB-JTQLQIEISA-N	-1	0	318.333	0.339	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C1CN(C(=O)C2CCCCC2)C1	ZINC001588398594	958068680	/nfs/dbraw/zinc/06/86/80/958068680.db2.gz	AJPKDMMQEGFPCE-UHFFFAOYSA-N	-1	0	306.362	0.572	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCN(Cc2ccccc2)C1=O	ZINC001588399827	958076599	/nfs/dbraw/zinc/07/65/99/958076599.db2.gz	PMLJBGCTKKERSJ-AWEZNQCLSA-N	-1	0	314.341	0.582	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(c2cccc(F)c2)=NO1	ZINC001588400411	958082191	/nfs/dbraw/zinc/08/21/91/958082191.db2.gz	XAGTYEMHJKSIFR-CYBMUJFWSA-N	-1	0	304.277	0.865	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC[S@](=O)CC(F)(F)F	ZINC001588408269	958106742	/nfs/dbraw/zinc/10/67/42/958106742.db2.gz	DWPXHKAGFLLBFV-FQEVSTJZSA-N	-1	0	314.285	0.027	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC001588416882	958165818	/nfs/dbraw/zinc/16/58/18/958165818.db2.gz	WFEMKJOMNSMCAM-UHFFFAOYSA-N	-1	0	306.230	0.484	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(C)(C)O)n1C[C@H]1CCOC1	ZINC001588426970	958236884	/nfs/dbraw/zinc/23/68/84/958236884.db2.gz	IPRAXZHXGSRMLX-LLVKDONJSA-N	-1	0	322.365	0.066	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001297385510	958242362	/nfs/dbraw/zinc/24/23/62/958242362.db2.gz	GDDQNDCCUXIMKI-NSHDSACASA-N	-1	0	322.365	0.088	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1	ZINC001588430591	958256888	/nfs/dbraw/zinc/25/68/88/958256888.db2.gz	CYBVSHYQNJNXRX-FRRDWIJNSA-N	-1	0	319.361	0.475	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1	ZINC001588434181	958303201	/nfs/dbraw/zinc/30/32/01/958303201.db2.gz	ZMOPIOWXMPLOPY-XUXIUFHCSA-N	-1	0	320.389	0.864	20	30		DCEDRM
C=CC(C)(C)CCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588450382	958390179	/nfs/dbraw/zinc/39/01/79/958390179.db2.gz	HZPIBHKKDMSWRW-UHFFFAOYSA-N	-1	0	317.407	0.985	20	30		DCEDRM
C=C[C@H](C(=O)OC)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1	ZINC001588450479	958393078	/nfs/dbraw/zinc/39/30/78/958393078.db2.gz	NETSDPGGOBUSIN-GMXVVIOVSA-N	-1	0	307.350	0.638	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](C(N)=O)CC[C@H]1C	ZINC001361860122	958416858	/nfs/dbraw/zinc/41/68/58/958416858.db2.gz	BXPIKSKOHOTROB-NXEZZACHSA-N	-1	0	302.334	0.693	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H](O)C(Cl)(Cl)Cl	ZINC001573317856	958456312	/nfs/dbraw/zinc/45/63/12/958456312.db2.gz	GZZMPDPNYYFROB-ZCFIWIBFSA-N	-1	0	302.541	0.654	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC1(CC(=O)OC)CCCC1	ZINC001573318230	958462732	/nfs/dbraw/zinc/46/27/32/958462732.db2.gz	SNMJBNVGIKJCLW-UHFFFAOYSA-N	-1	0	310.350	0.839	20	30		DCEDRM
C=CCCCNC(=O)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588460024	958471232	/nfs/dbraw/zinc/47/12/32/958471232.db2.gz	RSNLMIDKTUFFGW-BGMSHATGSA-N	-1	0	324.377	0.597	20	30		DCEDRM
COc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1F	ZINC001361942942	958521074	/nfs/dbraw/zinc/52/10/74/958521074.db2.gz	UQONRPQHFCKFCZ-UHFFFAOYSA-N	-1	0	318.264	0.607	20	30		DCEDRM
C=CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1[C@@]1(OC)CCOC1	ZINC001588471577	958535082	/nfs/dbraw/zinc/53/50/82/958535082.db2.gz	BDSHXXKCURZRML-XHDPSFHLSA-N	-1	0	322.365	0.637	20	30		DCEDRM
C=CCn1c(Cc2nnc(C)o2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588473087	958550037	/nfs/dbraw/zinc/55/00/37/958550037.db2.gz	XNKOMNZMDMNMLB-JTQLQIEISA-N	-1	0	318.337	0.657	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](n1cncn1)C(F)(F)F	ZINC001573364219	958612873	/nfs/dbraw/zinc/61/28/73/958612873.db2.gz	OEARMMDEURUQEC-OIBJUYFYSA-N	-1	0	319.243	0.502	20	30		DCEDRM
CCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1nc(C)cs1	ZINC001362144908	958821482	/nfs/dbraw/zinc/82/14/82/958821482.db2.gz	FBPXQXCOIYTGLW-UHFFFAOYSA-N	-1	0	319.346	0.639	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2ccnc(F)c2)CC1	ZINC001588538202	958938915	/nfs/dbraw/zinc/93/89/15/958938915.db2.gz	FNKSMJVXPPKZDZ-OAHLLOKOSA-N	-1	0	320.324	0.874	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCn2c(nnc2C(F)F)C1	ZINC001588539142	958951231	/nfs/dbraw/zinc/95/12/31/958951231.db2.gz	ZSEVQRWVGKYKLN-LBPRGKRZSA-N	-1	0	313.264	0.562	20	30		DCEDRM
C[C@H](C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001588547023	959001152	/nfs/dbraw/zinc/00/11/52/959001152.db2.gz	FGNGYNHDVURETF-KKOKHZNYSA-N	-1	0	317.349	0.955	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-]	ZINC000149625696	959021603	/nfs/dbraw/zinc/02/16/03/959021603.db2.gz	VMKNYMRZTUANIM-NSHDSACASA-N	-1	0	310.331	0.264	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)Cc1ccc(F)cc1	ZINC001588558505	959087320	/nfs/dbraw/zinc/08/73/20/959087320.db2.gz	XIOPESALQJGFOR-WFASDCNBSA-N	-1	0	308.309	0.850	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@@H](CO)COC(C)C	ZINC001362360734	959213065	/nfs/dbraw/zinc/21/30/65/959213065.db2.gz	VPKGCZNAWUIGKM-LBPRGKRZSA-N	-1	0	307.350	0.825	20	30		DCEDRM
N#Cc1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1Cl	ZINC001362384031	959254042	/nfs/dbraw/zinc/25/40/42/959254042.db2.gz	BUXBNXQHRYFSOG-UHFFFAOYSA-N	-1	0	307.697	0.531	20	30		DCEDRM
Cc1nc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)ccc1C#N	ZINC001594447082	959338214	/nfs/dbraw/zinc/33/82/14/959338214.db2.gz	DONIODFKEBCCSM-NSHDSACASA-N	-1	0	303.274	0.104	20	30		DCEDRM
CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@@]2(C#N)CCCOC2)n1	ZINC001588619794	959537777	/nfs/dbraw/zinc/53/77/77/959537777.db2.gz	BGBBEHRUHWZJHV-CQSZACIVSA-N	-1	0	306.322	0.962	20	30		DCEDRM
C[C@@]1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCCS1	ZINC001362557971	959592899	/nfs/dbraw/zinc/59/28/99/959592899.db2.gz	KSAOYSVOIYPMNZ-ZDUSSCGKSA-N	-1	0	308.363	0.222	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@@H](c2ncon2)C1	ZINC001362567895	959613263	/nfs/dbraw/zinc/61/32/63/959613263.db2.gz	GOTFWQQPDOBWEQ-SNVBAGLBSA-N	-1	0	315.289	0.564	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N(C)CCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001492327699	959835074	/nfs/dbraw/zinc/83/50/74/959835074.db2.gz	MWCUJFNQCYHZAF-LLVKDONJSA-N	-1	0	324.381	0.593	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(CC(C)C)C(=O)C1	ZINC001362690167	959836276	/nfs/dbraw/zinc/83/62/76/959836276.db2.gz	SKOABTDTGCKVPP-UHFFFAOYSA-N	-1	0	316.361	0.908	20	30		DCEDRM
COCC1(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CCOCC1	ZINC001362736375	959911018	/nfs/dbraw/zinc/91/10/18/959911018.db2.gz	RSJVWHKEBDDWPL-UHFFFAOYSA-N	-1	0	305.334	0.893	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC001301650733	960008636	/nfs/dbraw/zinc/00/86/36/960008636.db2.gz	UOIXIVZAKQDPET-CYBMUJFWSA-N	-1	0	307.317	0.929	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1	ZINC001362804691	960013663	/nfs/dbraw/zinc/01/36/63/960013663.db2.gz	UDDVWULBEASOIL-VIFPVBQESA-N	-1	0	323.374	0.663	20	30		DCEDRM
CC(C)c1cncc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001363024005	960310868	/nfs/dbraw/zinc/31/08/68/960310868.db2.gz	LJUWVFJVRPWZMV-UHFFFAOYSA-N	-1	0	313.317	0.978	20	30		DCEDRM
CC(C)(C)O[C@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001363124199	960435193	/nfs/dbraw/zinc/43/51/93/960435193.db2.gz	LLZGGVSRERVVEA-PHIMTYICSA-N	-1	0	320.349	0.283	20	30		DCEDRM
CCCC[C@@](C)(CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363128103	960439099	/nfs/dbraw/zinc/43/90/99/960439099.db2.gz	CKKGLEBINYWONH-HNNXBMFYSA-N	-1	0	322.365	0.268	20	30		DCEDRM
CC(=O)N[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CCCC1	ZINC001363150418	960486793	/nfs/dbraw/zinc/48/67/93/960486793.db2.gz	GTBTWFDTYYZVOJ-LBPRGKRZSA-N	-1	0	300.322	0.786	20	30		DCEDRM
N#Cc1sc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)nc1Cl	ZINC001574249056	960501687	/nfs/dbraw/zinc/50/16/87/960501687.db2.gz	QHLNDNXJMMINEX-YFKPBYRVSA-N	-1	0	316.726	0.985	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CC(F)(F)C[C@H]1CO)cc2=O	ZINC001363228878	960650973	/nfs/dbraw/zinc/65/09/73/960650973.db2.gz	CHZGRTGXPJGKSI-JTQLQIEISA-N	-1	0	309.276	0.508	20	30		DCEDRM
Cc1nc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)sc1C	ZINC001363285774	960792495	/nfs/dbraw/zinc/79/24/95/960792495.db2.gz	HZNAJRRYFYJCMM-UHFFFAOYSA-N	-1	0	319.346	0.324	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(C2CS(=O)(=O)C2)C1	ZINC001363301131	960836715	/nfs/dbraw/zinc/83/67/15/960836715.db2.gz	ZYXSNNMRYRWJQD-UHFFFAOYSA-N	-1	0	321.358	0.084	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c1	ZINC001571079387	960980296	/nfs/dbraw/zinc/98/02/96/960980296.db2.gz	JINNSVKPJLGXFV-NSHDSACASA-N	-1	0	303.253	0.172	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC001571084602	961036176	/nfs/dbraw/zinc/03/61/76/961036176.db2.gz	MOCMJFXKRYVVPZ-AWEZNQCLSA-N	-1	0	305.290	0.620	20	30		DCEDRM
N#Cc1ccsc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001571096600	961173870	/nfs/dbraw/zinc/17/38/70/961173870.db2.gz	PAFSPUPDBBAOGS-SECBINFHSA-N	-1	0	307.331	0.425	20	30		DCEDRM
C[C@H](C#N)CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CC1	ZINC001447068442	1013234560	/nfs/dbraw/zinc/23/45/60/1013234560.db2.gz	IZSGVSCGLMWRQJ-SNVBAGLBSA-N	-1	0	311.349	0.839	20	30		DCEDRM
CCN(CCC#N)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001573879647	961268303	/nfs/dbraw/zinc/26/83/03/961268303.db2.gz	MZWZRFQMFVIRLG-UHFFFAOYSA-N	-1	0	302.352	0.028	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CC#N)C1)C(=O)[O-]	ZINC001588815241	961563857	/nfs/dbraw/zinc/56/38/57/961563857.db2.gz	ICMZVFDEMJNDQF-NWDGAFQWSA-N	-1	0	309.366	0.612	20	30		DCEDRM
CCC(=O)N[C@H](CCSC)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363641954	961608849	/nfs/dbraw/zinc/60/88/49/961608849.db2.gz	NQHCYWUNPZIROJ-MRVPVSSYSA-N	-1	0	320.378	0.739	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(CC(=O)[O-])CCCC1	ZINC001571137292	961609817	/nfs/dbraw/zinc/60/98/17/961609817.db2.gz	AMNVTPSQHVAKEH-NSHDSACASA-N	-1	0	317.411	0.947	20	30		DCEDRM
N#Cc1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1O	ZINC001574486399	961685279	/nfs/dbraw/zinc/68/52/79/961685279.db2.gz	WQZXDBNQPAHCGI-NHYWBVRUSA-N	-1	0	302.286	0.437	20	30		DCEDRM
CC(C)Cn1ccnc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001363708283	961735175	/nfs/dbraw/zinc/73/51/75/961735175.db2.gz	PUPVLYOHBLNSFV-UHFFFAOYSA-N	-1	0	316.321	0.312	20	30		DCEDRM
CC(C)n1cc([C@H](C)Nc2[n-]c(=O)n(C)c(=O)c2C#N)cn1	ZINC001363723995	961765773	/nfs/dbraw/zinc/76/57/73/961765773.db2.gz	BCWRMRKKQMQHTK-VIFPVBQESA-N	-1	0	302.338	0.896	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC(c3ccncn3)CC2)c(C#N)c1=O	ZINC001363729074	961771798	/nfs/dbraw/zinc/77/17/98/961771798.db2.gz	ILWKJAPXMRPWEZ-UHFFFAOYSA-N	-1	0	312.333	0.119	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])s1	ZINC001571153175	961820065	/nfs/dbraw/zinc/82/00/65/961820065.db2.gz	LPFBQIQKGSDWDD-UHFFFAOYSA-N	-1	0	322.302	0.664	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1cc(C)c(C#N)cn1	ZINC001574056938	962196383	/nfs/dbraw/zinc/19/63/83/962196383.db2.gz	XZGHPVCUNNUUTE-UHFFFAOYSA-N	-1	0	305.290	0.352	20	30		DCEDRM
COC(=O)[C@@H]1[C@H](CNS(=O)(=O)c2ccc(C#N)o2)C1(F)F	ZINC001364061724	962394472	/nfs/dbraw/zinc/39/44/72/962394472.db2.gz	BMTAGCZURNYAJM-CBAPKCEASA-N	-1	0	320.273	0.484	20	30		DCEDRM
Cc1noc(C2([N-]S(=O)(=O)c3cccnc3C#N)CC2)n1	ZINC001364077726	962428565	/nfs/dbraw/zinc/42/85/65/962428565.db2.gz	YTIUEWUJVCZGKL-UHFFFAOYSA-N	-1	0	305.319	0.612	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2cc(F)cc(F)c2)c(C#N)c1=O	ZINC001364162708	962589961	/nfs/dbraw/zinc/58/99/61/962589961.db2.gz	IUIHCJPDUKYZGE-UHFFFAOYSA-N	-1	0	306.272	0.878	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c(C#N)c1=O	ZINC001364189479	962640293	/nfs/dbraw/zinc/64/02/93/962640293.db2.gz	AQTFHEHZAWRCIK-JLLWLGSASA-N	-1	0	304.350	0.075	20	30		DCEDRM
C[C@H]1CCC[C@@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001364198197	962654543	/nfs/dbraw/zinc/65/45/43/962654543.db2.gz	PJXXOOJXDMJONY-CMPLNLGQSA-N	-1	0	319.365	0.698	20	30		DCEDRM
C[C@H]1CCC[C@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001364198205	962655791	/nfs/dbraw/zinc/65/57/91/962655791.db2.gz	PJXXOOJXDMJONY-JQWIXIFHSA-N	-1	0	319.365	0.698	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)C(=O)[O-]	ZINC001573303084	962669968	/nfs/dbraw/zinc/66/99/68/962669968.db2.gz	KCSPMLDUQIDJKG-LLVKDONJSA-N	-1	0	302.286	0.513	20	30		DCEDRM
C#CCC1(C(=O)N[C@H]2C[C@H](C)N(C(=O)CNC(=O)[O-])C2)CCC1	ZINC001573303907	962683687	/nfs/dbraw/zinc/68/36/87/962683687.db2.gz	UMTAJGGCXZYRQA-RYUDHWBXSA-N	-1	0	321.377	0.553	20	30		DCEDRM
C=CCOC[C@H](NC(=O)/C=C(\C)CN1CCOCC1)C(=O)[O-]	ZINC001354052872	962704868	/nfs/dbraw/zinc/70/48/68/962704868.db2.gz	WFTBYCOKQOZYOI-SRXBQZRASA-N	-1	0	312.366	0.037	20	30		DCEDRM
C=C(Br)CN1C[C@@H](C)[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573313532	962731722	/nfs/dbraw/zinc/73/17/22/962731722.db2.gz	KGLRZXMIGNXZPG-VXNVDRBHSA-N	-1	0	320.187	0.599	20	30		DCEDRM
COC(=O)[C@@]1(F)CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1	ZINC001364341777	962924565	/nfs/dbraw/zinc/92/45/65/962924565.db2.gz	LMMNBUVWLGKZQB-CQSZACIVSA-N	-1	0	319.296	0.394	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001573360282	963035761	/nfs/dbraw/zinc/03/57/61/963035761.db2.gz	LISHGENWJMDKJY-MNOVXSKESA-N	-1	0	301.339	0.690	20	30		DCEDRM
CC(=O)N1CCC[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001573409307	963153967	/nfs/dbraw/zinc/15/39/67/963153967.db2.gz	DDBLNRKSAHQOMQ-LBPRGKRZSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C#CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@@H](OC)C1	ZINC001588447347	964085892	/nfs/dbraw/zinc/08/58/92/964085892.db2.gz	WLWROHDEAHCYEZ-XQQFMLRXSA-N	-1	0	317.407	0.978	20	30		DCEDRM
N#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC001608217685	970403693	/nfs/dbraw/zinc/40/36/93/970403693.db2.gz	OMGLCRKAMOVBEO-GFCCVEGCSA-N	-1	0	301.302	0.108	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)N(CC(=O)[O-])C1CCOCC1	ZINC001605102349	972761044	/nfs/dbraw/zinc/76/10/44/972761044.db2.gz	VYSJLWNQJDFWDB-UHFFFAOYSA-N	-1	0	303.318	0.968	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1	ZINC001604272239	972834213	/nfs/dbraw/zinc/83/42/13/972834213.db2.gz	UKIXJBKHPZZKRS-UHFFFAOYSA-N	-1	0	317.301	0.699	20	30		DCEDRM
COC(=O)[C@]12CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H]1COCC2	ZINC001604360754	973054248	/nfs/dbraw/zinc/05/42/48/973054248.db2.gz	BVINKKHINHZWFY-COLVAYQJSA-N	-1	0	324.333	0.029	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1C#N	ZINC001605408772	973408050	/nfs/dbraw/zinc/40/80/50/973408050.db2.gz	HBACGFOOOKCPNE-SNVBAGLBSA-N	-1	0	302.290	0.133	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)COc2cccc(C#N)c2)C1	ZINC001604526956	973482038	/nfs/dbraw/zinc/48/20/38/973482038.db2.gz	RQUQCUZJBJNSPP-INIZCTEOSA-N	-1	0	318.329	0.887	20	30		DCEDRM
Cc1nsc(N2CCN(C(=O)[C@H](C)C(=O)[O-])CC2)c1C#N	ZINC001605455497	973545801	/nfs/dbraw/zinc/54/58/01/973545801.db2.gz	XSOWRTVCEHVHMD-QMMMGPOBSA-N	-1	0	308.363	0.693	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc(C#N)ccc2F)CCO1	ZINC001604556358	973585017	/nfs/dbraw/zinc/58/50/17/973585017.db2.gz	DUBPCJXDEHLSDG-OAHLLOKOSA-N	-1	0	322.292	0.640	20	30		DCEDRM
Cn1ncc(C#N)c1N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001605553483	973772280	/nfs/dbraw/zinc/77/22/80/973772280.db2.gz	NVFDZKIVYUXZED-SNVBAGLBSA-N	-1	0	317.349	0.194	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CC1	ZINC001605585451	973875768	/nfs/dbraw/zinc/87/57/68/973875768.db2.gz	BQQGYEFPUMRABK-KBPBESRZSA-N	-1	0	323.393	0.608	20	30		DCEDRM
N#CCOc1cc(F)ccc1NC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001605585800	973877568	/nfs/dbraw/zinc/87/75/68/973877568.db2.gz	IMESZERFZCYZKX-LLVKDONJSA-N	-1	0	307.237	0.896	20	30		DCEDRM
N#C[C@H]1C[C@H]1C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-]	ZINC001605590615	973884429	/nfs/dbraw/zinc/88/44/29/973884429.db2.gz	IWRCJVPLEXFXML-UPJWGTAASA-N	-1	0	316.313	0.849	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)NCCOCCOCC(=O)[O-]	ZINC001605591356	973887964	/nfs/dbraw/zinc/88/79/64/973887964.db2.gz	XRPDDWVOGMKUKK-UHFFFAOYSA-N	-1	0	310.281	0.545	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CC(=O)C2CCCCC2)c1=O	ZINC001605622957	973946317	/nfs/dbraw/zinc/94/63/17/973946317.db2.gz	KZBIRRGLKPGZDE-UHFFFAOYSA-N	-1	0	319.317	0.116	20	30		DCEDRM
CCOCn1nc(C)c(CC(=O)N(CC#N)CC(=O)[O-])c1C	ZINC001605647401	1169981148	/nfs/dbraw/zinc/98/11/48/1169981148.db2.gz	RFMFJZTVFNOQDT-UHFFFAOYSA-N	-1	0	308.338	0.473	20	30		DCEDRM
C[C@@](CC(=O)[O-])(NS(=O)(=O)CC1(C#N)CC1)c1ccncc1	ZINC001592329392	977757526	/nfs/dbraw/zinc/75/75/26/977757526.db2.gz	GYVXWGLPNKCCDB-ZDUSSCGKSA-N	-1	0	323.374	0.995	20	30		DCEDRM
O=C([O-])c1cc(S(=O)(=O)NCC#CCO)ccc1Cl	ZINC000717497476	977902214	/nfs/dbraw/zinc/90/22/14/977902214.db2.gz	DGEPRRAOKLSCQL-UHFFFAOYSA-N	-1	0	303.723	0.312	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001522976809	1014499685	/nfs/dbraw/zinc/49/96/85/1014499685.db2.gz	VCPPCVWZTXWLMP-VIFPVBQESA-N	-1	0	323.353	0.121	20	30		DCEDRM
C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001592648102	978630690	/nfs/dbraw/zinc/63/06/90/978630690.db2.gz	YUDGEANUDNEHSJ-PWSUYJOCSA-N	-1	0	315.329	0.748	20	30		DCEDRM
CCCCCCCNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001595704345	982274246	/nfs/dbraw/zinc/27/42/46/982274246.db2.gz	GGYFACAGCOFHJQ-VXGBXAGGSA-N	-1	0	314.382	0.367	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-]	ZINC001588370746	983321634	/nfs/dbraw/zinc/32/16/34/983321634.db2.gz	MIPYEURSJUPKRW-QMMMGPOBSA-N	-1	0	303.723	0.311	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1)C(C)(C)C	ZINC001588370829	983322704	/nfs/dbraw/zinc/32/27/04/983322704.db2.gz	OICMGSYWJSJDKT-JTQLQIEISA-N	-1	0	303.318	0.882	20	30		DCEDRM
C#C[C@H](NC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1)C(C)(C)C	ZINC001588372011	983327130	/nfs/dbraw/zinc/32/71/30/983327130.db2.gz	BMQGUDLIYWEVKY-AXFHLTTASA-N	-1	0	310.350	0.550	20	30		DCEDRM
C#C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C1CCOCC1	ZINC001588372724	983333551	/nfs/dbraw/zinc/33/35/51/983333551.db2.gz	RHRJBYQRPUGGTM-RTXFEEFZSA-N	-1	0	310.350	0.298	20	30		DCEDRM
C#C[C@H](NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1)[C@@H]1CCCO1	ZINC001588372875	983334842	/nfs/dbraw/zinc/33/48/42/983334842.db2.gz	VEBZENWGKDFPJW-GWCFXTLKSA-N	-1	0	318.333	0.398	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cccnc1C(=O)[O-])[C@@H]1CCCO1	ZINC001588375878	983348216	/nfs/dbraw/zinc/34/82/16/983348216.db2.gz	LMEFQEWXVRNAJQ-UWVGGRQHSA-N	-1	0	310.331	0.239	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C1CCOCC1	ZINC001588376846	983354030	/nfs/dbraw/zinc/35/40/30/983354030.db2.gz	YMRYEILLKXWYRV-GFCCVEGCSA-N	-1	0	324.358	0.487	20	30		DCEDRM
C#CC1(O)CN(C(=O)NCCc2ccc(C(=O)[O-])cc2OC)C1	ZINC001588379596	983364598	/nfs/dbraw/zinc/36/45/98/983364598.db2.gz	NJYZMOJXZRFZSO-UHFFFAOYSA-N	-1	0	318.329	0.325	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001588383702	983383325	/nfs/dbraw/zinc/38/33/25/983383325.db2.gz	IBWFSCWUOVOXBU-JTQLQIEISA-N	-1	0	320.276	0.323	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1	ZINC001588384093	983387106	/nfs/dbraw/zinc/38/71/06/983387106.db2.gz	VHCCMBRZODXTJA-JTQLQIEISA-N	-1	0	323.736	0.977	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C	ZINC001588393794	983400373	/nfs/dbraw/zinc/40/03/73/983400373.db2.gz	JUQIYVTVSBLQQJ-VIFPVBQESA-N	-1	0	315.322	0.495	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC001588394853	983403709	/nfs/dbraw/zinc/40/37/09/983403709.db2.gz	QDITVHZLHRASFB-ZETCQYMHSA-N	-1	0	319.360	0.117	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@]1(c2ccccc2)CCC(=O)NC1)C(=O)[O-]	ZINC001588398850	983414136	/nfs/dbraw/zinc/41/41/36/983414136.db2.gz	NNHSIWOASLABNV-SUMWQHHRSA-N	-1	0	314.341	0.427	20	30		DCEDRM
C#CC[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC001588404407	983417914	/nfs/dbraw/zinc/41/79/14/983417914.db2.gz	BCWWIJYAZDFVAB-NSHDSACASA-N	-1	0	305.290	0.990	20	30		DCEDRM
C#CC[C@H](NC(=O)CCN1CSCCSC1)C(=O)[O-]	ZINC001588404740	983418864	/nfs/dbraw/zinc/41/88/64/983418864.db2.gz	HKGQBIHWEFJUNZ-JTQLQIEISA-N	-1	0	302.421	0.666	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cn1cc(Br)cn1)C(=O)[O-]	ZINC001588407976	983429874	/nfs/dbraw/zinc/42/98/74/983429874.db2.gz	SUSDDUQKCGKJLP-MRVPVSSYSA-N	-1	0	300.112	0.238	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(Cn2cc(C)cn2)on1)C(=O)[O-]	ZINC001588414214	983433301	/nfs/dbraw/zinc/43/33/01/983433301.db2.gz	PIZQQRNBFKOQNH-NSHDSACASA-N	-1	0	302.290	0.434	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)C[C@@H]1CCC2(CCC2)O1)C(=O)[O-]	ZINC001588424414	983455256	/nfs/dbraw/zinc/45/52/56/983455256.db2.gz	WMEYJHSXOLDHBX-QWRGUYRKSA-N	-1	0	301.364	0.484	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)C1CCC(C(=O)[O-])CC1)C(=O)OC	ZINC001588424602	983456067	/nfs/dbraw/zinc/45/60/67/983456067.db2.gz	XUTCDMMHTOZMNX-ILDUYXDCSA-N	-1	0	317.363	0.114	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cncc(OC(C)C)c1)C(=O)[O-]	ZINC001588428291	983460969	/nfs/dbraw/zinc/46/09/69/983460969.db2.gz	IZDJDGZPVYXGQM-GFCCVEGCSA-N	-1	0	312.347	0.624	20	30		DCEDRM
C#CCC1(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)CCC1	ZINC001588428280	983461051	/nfs/dbraw/zinc/46/10/51/983461051.db2.gz	IOYSRJQXYKWWJN-VXGBXAGGSA-N	-1	0	318.373	0.666	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)CCO2)C(=O)[O-]	ZINC001588428627	983463064	/nfs/dbraw/zinc/46/30/64/983463064.db2.gz	VNFVHAAVNQKAFV-LLVKDONJSA-N	-1	0	323.326	0.407	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1	ZINC001588431564	983465445	/nfs/dbraw/zinc/46/54/45/983465445.db2.gz	LJCYNTYHIWRAGC-NSHDSACASA-N	-1	0	315.329	0.980	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1	ZINC001588431901	983466364	/nfs/dbraw/zinc/46/63/64/983466364.db2.gz	QHBYBDLEZHFBDL-QWHCGFSZSA-N	-1	0	306.362	0.572	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC001588464667	983493762	/nfs/dbraw/zinc/49/37/62/983493762.db2.gz	CFSNPNSNHRJVIP-UHFFFAOYSA-N	-1	0	312.325	0.981	20	30		DCEDRM
C#CCN1CCC[C@@H](NS(=O)(=O)c2cccnc2C(=O)[O-])C1	ZINC001588477765	983517852	/nfs/dbraw/zinc/51/78/52/983517852.db2.gz	ZZIOGMRJMBNKSS-LLVKDONJSA-N	-1	0	323.374	0.156	20	30		DCEDRM
C#CCN1CCC[C@@H](NS(=O)(=O)c2occc2C(=O)[O-])C1	ZINC001588477754	983517912	/nfs/dbraw/zinc/51/79/12/983517912.db2.gz	ZSRXDIUOPJGXPG-SNVBAGLBSA-N	-1	0	312.347	0.354	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588490029	983530520	/nfs/dbraw/zinc/53/05/20/983530520.db2.gz	FRADIHSDPLIYNZ-VIFPVBQESA-N	-1	0	306.274	0.300	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC001588505183	983549777	/nfs/dbraw/zinc/54/97/77/983549777.db2.gz	XTLFDUJWHONOCR-LLVKDONJSA-N	-1	0	318.329	0.864	20	30		DCEDRM
C#Cc1ccc(C(=O)NCc2c(C)nn(CC(=O)[O-])c2C)nc1	ZINC001588516297	983560507	/nfs/dbraw/zinc/56/05/07/983560507.db2.gz	GJKXWMMJBNEPBT-UHFFFAOYSA-N	-1	0	312.329	0.891	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)c1	ZINC001588523725	983573340	/nfs/dbraw/zinc/57/33/40/983573340.db2.gz	WFEZWDORCKQBGM-INIZCTEOSA-N	-1	0	316.313	0.309	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001588524200	983574000	/nfs/dbraw/zinc/57/40/00/983574000.db2.gz	BYBPPXIRYIBLOU-CYBMUJFWSA-N	-1	0	303.314	0.543	20	30		DCEDRM
C#Cc1ccccc1CC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588528578	983577138	/nfs/dbraw/zinc/57/71/38/983577138.db2.gz	BMWZCFVXNOJFDY-AWEZNQCLSA-N	-1	0	315.325	0.829	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1ccnc(-n2cncn2)c1)C(=O)[O-]	ZINC001588548200	983623171	/nfs/dbraw/zinc/62/31/71/983623171.db2.gz	NKIOVFAVABUQMO-NSHDSACASA-N	-1	0	301.306	0.812	20	30		DCEDRM
C=C(C)COCCn1nnnc1N1CCC(CC(=O)[O-])CC1	ZINC001588573233	983651664	/nfs/dbraw/zinc/65/16/64/983651664.db2.gz	DULFHHAZIGJUOG-UHFFFAOYSA-N	-1	0	309.370	0.957	20	30		DCEDRM
C=C(C)CS(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC001588576856	983654466	/nfs/dbraw/zinc/65/44/66/983654466.db2.gz	CLWMBXPVPOCMQJ-JTQLQIEISA-N	-1	0	306.384	0.097	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588576938	983654961	/nfs/dbraw/zinc/65/49/61/983654961.db2.gz	HNOWNDMWBCMPCE-CQSZACIVSA-N	-1	0	317.407	0.974	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(=O)N(CCC(F)(F)F)C1	ZINC001588612330	983702571	/nfs/dbraw/zinc/70/25/71/983702571.db2.gz	NCQPCTJLBMXGQQ-UHFFFAOYSA-N	-1	0	308.256	0.988	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@@H](CO)C[C@H](OCCOC)C1	ZINC001588612577	983703475	/nfs/dbraw/zinc/70/34/75/983703475.db2.gz	SMATZVZXPVHCPV-STQMWFEESA-N	-1	0	315.366	0.280	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@H](O)C[C@H]1c1nnc(CC)[nH]1	ZINC001588618803	983712948	/nfs/dbraw/zinc/71/29/48/983712948.db2.gz	AOEFAMNFRPLQEX-ZJUUUORDSA-N	-1	0	308.338	0.422	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cccnc1N1CCOCC1	ZINC001588630156	983741895	/nfs/dbraw/zinc/74/18/95/983741895.db2.gz	RSMZBEXMIJEYJC-UHFFFAOYSA-N	-1	0	319.361	0.955	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001588633289	983748601	/nfs/dbraw/zinc/74/86/01/983748601.db2.gz	KNRIUXBFHZZLND-UHFFFAOYSA-N	-1	0	307.306	0.975	20	30		DCEDRM
CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001596341020	983790887	/nfs/dbraw/zinc/79/08/87/983790887.db2.gz	NYQOYGPJOONWSD-NWDGAFQWSA-N	-1	0	317.349	0.638	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC001588684612	983861525	/nfs/dbraw/zinc/86/15/25/983861525.db2.gz	VEJSBGLDNHRLOH-OAHLLOKOSA-N	-1	0	320.349	0.151	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001588692916	983888097	/nfs/dbraw/zinc/88/80/97/983888097.db2.gz	MRALUNDDXMSWGL-QMMMGPOBSA-N	-1	0	310.281	0.780	20	30		DCEDRM
C=C[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC001588703851	983922639	/nfs/dbraw/zinc/92/26/39/983922639.db2.gz	ANHXUEBQJUYQEE-HTQZYQBOSA-N	-1	0	319.360	0.597	20	30		DCEDRM
C=C[C@@H](O)C(=O)O[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001588704253	983923516	/nfs/dbraw/zinc/92/35/16/983923516.db2.gz	DCAWNJNBABWJPI-JOYOIKCWSA-N	-1	0	307.302	0.480	20	30		DCEDRM
C=C[C@H](OC(=O)Cn1cnc2c(C)cccc2c1=O)C(=O)[O-]	ZINC001588711297	983936852	/nfs/dbraw/zinc/93/68/52/983936852.db2.gz	NUPYMTUMNMAHCG-NSHDSACASA-N	-1	0	302.286	0.887	20	30		DCEDRM
C=C[C@@H](OC(=O)CCNS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC001588712091	983941569	/nfs/dbraw/zinc/94/15/69/983941569.db2.gz	TUOBFZDKUKSLMT-MRVPVSSYSA-N	-1	0	319.360	0.599	20	30		DCEDRM
C=CCC(CC=C)C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588737941	984031608	/nfs/dbraw/zinc/03/16/08/984031608.db2.gz	XHCCYFMFXGVJSW-CHWSQXEVSA-N	-1	0	306.362	0.803	20	30		DCEDRM
C=CCC(F)(F)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC001588743033	984036109	/nfs/dbraw/zinc/03/61/09/984036109.db2.gz	PYOCMLJXECLYBC-QMMMGPOBSA-N	-1	0	311.306	0.298	20	30		DCEDRM
C=CC[C@H](OC(=O)c1ccc(S(=O)(=O)NC)cc1)C(=O)[O-]	ZINC001588756775	984099740	/nfs/dbraw/zinc/09/97/40/984099740.db2.gz	OXWYBGALSDDMAD-NSHDSACASA-N	-1	0	313.331	0.781	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)CC1	ZINC001588768733	984130968	/nfs/dbraw/zinc/13/09/68/984130968.db2.gz	CJHCPXRZJVYOFN-NWDGAFQWSA-N	-1	0	324.377	0.238	20	30		DCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001588778491	984160736	/nfs/dbraw/zinc/16/07/36/984160736.db2.gz	BUCDEMSWXMMUJR-ZETCQYMHSA-N	-1	0	306.365	0.447	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@]12CCC(=O)N1CCS2)C(=O)[O-]	ZINC001588789822	984201413	/nfs/dbraw/zinc/20/14/13/984201413.db2.gz	KMEPJNDDYDELHG-HZMBPMFUSA-N	-1	0	312.391	0.978	20	30		DCEDRM
C=CCN(C)CCN(CC)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001588822808	984291716	/nfs/dbraw/zinc/29/17/16/984291716.db2.gz	RIBYCCAYDLQJJD-UHFFFAOYSA-N	-1	0	316.383	0.236	20	30		DCEDRM
C=CCN(CC=C)C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588825294	984299546	/nfs/dbraw/zinc/29/95/46/984299546.db2.gz	KFMHWMLQOQOBLU-LPWJVIDDSA-N	-1	0	306.362	0.803	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588828865	984309958	/nfs/dbraw/zinc/30/99/58/984309958.db2.gz	RCWFJFTYNPITRK-VXGBXAGGSA-N	-1	0	312.366	0.217	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)S(=O)(=O)C2(C(=O)[O-])CCC2)C1=O	ZINC001588839337	984346143	/nfs/dbraw/zinc/34/61/43/984346143.db2.gz	PVGLBQKCHLKXNP-SNVBAGLBSA-N	-1	0	316.379	0.042	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c[nH]nc1-c1ccccn1)C(=O)[O-]	ZINC001588859249	984404351	/nfs/dbraw/zinc/40/43/51/984404351.db2.gz	FNWLJMHAHCTNDH-GFCCVEGCSA-N	-1	0	316.317	0.857	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnn(CC(F)(F)F)c1)C(=O)[O-]	ZINC001588860456	984413289	/nfs/dbraw/zinc/41/32/89/984413289.db2.gz	VIIJRVJSPKKLHW-VIFPVBQESA-N	-1	0	321.255	0.831	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(NC(N)=O)cc1)C(=O)[O-]	ZINC001588862357	984418585	/nfs/dbraw/zinc/41/85/85/984418585.db2.gz	WIILMIKSYXLKNI-NSHDSACASA-N	-1	0	307.306	0.563	20	30		DCEDRM
C=CCOC[C@H](NCc1ncc(C(=O)[O-])s1)C(=O)OC	ZINC001588866003	984421985	/nfs/dbraw/zinc/42/19/85/984421985.db2.gz	GWCISANUXZEHDI-QMMMGPOBSA-N	-1	0	300.336	0.675	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)C[C@@]1(C)CC1(F)F)C(=O)[O-]	ZINC001588866042	984422413	/nfs/dbraw/zinc/42/24/13/984422413.db2.gz	HYFFHXLSMXNGTA-PSASIEDQSA-N	-1	0	313.322	0.607	20	30		DCEDRM
C=CCOCCCC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588867122	984430362	/nfs/dbraw/zinc/43/03/62/984430362.db2.gz	ZHQRXTRCVSTKSR-NWDGAFQWSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=CCn1c(C[C@@H](O)C2CC2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588898348	984518276	/nfs/dbraw/zinc/51/82/76/984518276.db2.gz	WFPHWHHSHIZLKK-VXGBXAGGSA-N	-1	0	306.366	0.688	20	30		DCEDRM
C=CCn1c(Cc2cnn(C)c2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588904634	984531259	/nfs/dbraw/zinc/53/12/59/984531259.db2.gz	YGRYAVSCZFDESP-GFCCVEGCSA-N	-1	0	316.365	0.699	20	30		DCEDRM
C=CCn1nnnc1SCC(=O)N1CCC(C(=O)[O-])CC1	ZINC001588912339	984550998	/nfs/dbraw/zinc/55/09/98/984550998.db2.gz	GMQHZEIVGRLNHQ-UHFFFAOYSA-N	-1	0	311.367	0.274	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O	ZINC001588916428	984560549	/nfs/dbraw/zinc/56/05/49/984560549.db2.gz	MCQWUAWYOIFMQM-YFKTTZPYSA-N	-1	0	308.334	0.705	20	30		DCEDRM
CC#CCCCC(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588925216	984585739	/nfs/dbraw/zinc/58/57/39/984585739.db2.gz	NAOURQDRHXUMJY-LLVKDONJSA-N	-1	0	304.350	0.707	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC001588925658	984588257	/nfs/dbraw/zinc/58/82/57/984588257.db2.gz	UOMXWWDHTFBPKY-NSHDSACASA-N	-1	0	311.359	0.746	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001588925853	984589439	/nfs/dbraw/zinc/58/94/39/984589439.db2.gz	YBICVPNLYGSVOE-LLVKDONJSA-N	-1	0	315.322	0.577	20	30		DCEDRM
CC#CCNC(=O)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC001588930811	984599283	/nfs/dbraw/zinc/59/92/83/984599283.db2.gz	ANMOQCNFBSUXMH-UHFFFAOYSA-N	-1	0	319.273	0.679	20	30		DCEDRM
CC#CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC001588931105	984601275	/nfs/dbraw/zinc/60/12/75/984601275.db2.gz	KTPKAICDIOMOCK-UHFFFAOYSA-N	-1	0	318.285	0.249	20	30		DCEDRM
C[C@H]1CN(C(=O)N[C@@H](CC#N)C(F)(F)F)C[C@@H](C(=O)[O-])O1	ZINC001599917911	985085572	/nfs/dbraw/zinc/08/55/72/985085572.db2.gz	YOUCFBOCQZHZFE-FXQIFTODSA-N	-1	0	309.244	0.714	20	30		DCEDRM
C[C@H]1[C@@H](O)CCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001599935317	985384339	/nfs/dbraw/zinc/38/43/39/985384339.db2.gz	AMOLMVUQPMOSNM-KWQFWETISA-N	-1	0	310.331	0.400	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001384587392	985681786	/nfs/dbraw/zinc/68/17/86/985681786.db2.gz	HRQZISTUNMFBPF-DVVUODLYSA-N	-1	0	319.365	0.598	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C#N)C3)c1[O-]	ZINC001385008149	986017262	/nfs/dbraw/zinc/01/72/62/986017262.db2.gz	CRWWOQDMAIJJIG-IANFPDNMSA-N	-1	0	317.349	0.445	20	30		DCEDRM
Cc1c(C(=O)N(CC#N)CC(=O)[O-])cnn1C1CCOCC1	ZINC001599975516	986084004	/nfs/dbraw/zinc/08/40/04/986084004.db2.gz	AQSMHDSAUTWRIF-UHFFFAOYSA-N	-1	0	306.322	0.593	20	30		DCEDRM
Cc1c(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cnn1CCC#N	ZINC001599976973	986107210	/nfs/dbraw/zinc/10/72/10/986107210.db2.gz	MTYAOAZYHTZQIR-SKDRFNHKSA-N	-1	0	306.322	0.419	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(C(=O)[O-])cn1	ZINC001589329800	986167062	/nfs/dbraw/zinc/16/70/62/986167062.db2.gz	SUEZHRXMQLVQKD-GMNPVEAJSA-N	-1	0	315.333	0.560	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H](CNc1ncc(C(=O)[O-])cn1)C1CC1	ZINC001589329902	986168044	/nfs/dbraw/zinc/16/80/44/986168044.db2.gz	VQQKNZQZMITIAV-KWQFWETISA-N	-1	0	303.322	0.641	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001589330985	986181777	/nfs/dbraw/zinc/18/17/77/986181777.db2.gz	XUZWWMMDPRMGAR-OOCWMUITSA-N	-1	0	315.395	0.412	20	30		DCEDRM
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1(C(=O)[O-])CC1	ZINC001589335054	986205874	/nfs/dbraw/zinc/20/58/74/986205874.db2.gz	MJXZLIBCTXBLDR-SECBINFHSA-N	-1	0	317.301	0.649	20	30		DCEDRM
C[C@@H](C(=O)N(CC#N)CC(=O)[O-])N1CSCCSC1	ZINC001589341456	986250622	/nfs/dbraw/zinc/25/06/22/986250622.db2.gz	BWPBXVBQGZDQMH-VIFPVBQESA-N	-1	0	303.409	0.509	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001589684078	987719894	/nfs/dbraw/zinc/71/98/94/987719894.db2.gz	ABCSALBTBAFTSI-ZDEQEGDKSA-N	-1	0	320.389	0.768	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001589684074	987720204	/nfs/dbraw/zinc/72/02/04/987720204.db2.gz	ABCSALBTBAFTSI-FDYHWXHSSA-N	-1	0	320.389	0.768	20	30		DCEDRM
CCc1ccc(C#CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cc1	ZINC001597495448	988043485	/nfs/dbraw/zinc/04/34/85/988043485.db2.gz	WUKJROLEZYYUMR-RYUDHWBXSA-N	-1	0	316.357	0.695	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599852347	989032272	/nfs/dbraw/zinc/03/22/72/989032272.db2.gz	UBFYLVDAPHKJHD-SKDRFNHKSA-N	-1	0	317.301	0.197	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N(CC#N)CC#N	ZINC001590117430	989321989	/nfs/dbraw/zinc/32/19/89/989321989.db2.gz	MEEZCODNDDRGKQ-SNVBAGLBSA-N	-1	0	324.337	0.620	20	30		DCEDRM
CC(C)(C)c1cc(CS(=O)(=O)N(CC#N)CC(=O)[O-])no1	ZINC001590464302	990041317	/nfs/dbraw/zinc/04/13/17/990041317.db2.gz	ZGYYSHLRVIIPOF-UHFFFAOYSA-N	-1	0	315.351	0.712	20	30		DCEDRM
CC(C)(CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)[O-]	ZINC001590675856	990386968	/nfs/dbraw/zinc/38/69/68/990386968.db2.gz	KHNFZAUOPBQDLS-GFCCVEGCSA-N	-1	0	308.382	0.869	20	30		DCEDRM
CC(C)C#CC(=O)N1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C[C@H]1C	ZINC001590927123	990930651	/nfs/dbraw/zinc/93/06/51/990930651.db2.gz	SEGQQERUNAKIFD-NEPJUHHUSA-N	-1	0	316.361	0.657	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001590927272	990932438	/nfs/dbraw/zinc/93/24/38/990932438.db2.gz	XMWRKFFCRBSYHS-CHWSQXEVSA-N	-1	0	306.362	0.474	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001590927902	990937804	/nfs/dbraw/zinc/93/78/04/990937804.db2.gz	NJFKNPLHAHMRQI-XQHKEYJVSA-N	-1	0	306.362	0.378	20	30		DCEDRM
CC(C)C#CC(=O)NC/C=C/CNc1ccnc(C(=O)[O-])n1	ZINC001590928042	990938452	/nfs/dbraw/zinc/93/84/52/990938452.db2.gz	PJIOKCZWCILQFI-ONEGZZNKSA-N	-1	0	302.334	0.340	20	30		DCEDRM
CN(CC(C)(C)CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)C#CC1CC1	ZINC001598424331	991772204	/nfs/dbraw/zinc/77/22/04/991772204.db2.gz	ZMMMFUIZQNGEMT-OLZOCXBDSA-N	-1	0	320.389	0.721	20	30		DCEDRM
CN(C[C@H](O)C1CC1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598432154	991798683	/nfs/dbraw/zinc/79/86/83/991798683.db2.gz	BZGGFNMYMXCHFK-LBPRGKRZSA-N	-1	0	324.358	0.648	20	30		DCEDRM
CS(=O)(=O)[C@H]1C[C@]1(CNc1cccc(F)c1C#N)C(=O)[O-]	ZINC001599763505	992154275	/nfs/dbraw/zinc/15/42/75/992154275.db2.gz	IJQVQQISFIAMOF-WCQYABFASA-N	-1	0	312.322	0.997	20	30		DCEDRM
CC(C)CN(CCC#N)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001591322181	992291989	/nfs/dbraw/zinc/29/19/89/992291989.db2.gz	RPCMPTMTISGORB-LBPRGKRZSA-N	-1	0	309.366	0.708	20	30		DCEDRM
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001598507136	992519719	/nfs/dbraw/zinc/51/97/19/992519719.db2.gz	MRCNFAMVNCCLKR-MGCOHNPYSA-N	-1	0	321.358	0.558	20	30		DCEDRM
COc1ccc(S(=O)(=O)N(CC#N)C2CC2)c(CC(=O)[O-])c1	ZINC001599607524	993906038	/nfs/dbraw/zinc/90/60/38/993906038.db2.gz	DLDGJVWVYLSWFT-UHFFFAOYSA-N	-1	0	324.358	0.999	20	30		DCEDRM
CNC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC001598637351	994262789	/nfs/dbraw/zinc/26/27/89/994262789.db2.gz	KFGHAFKSBNTGQV-STQMWFEESA-N	-1	0	303.318	0.131	20	30		DCEDRM
COc1cccc(-n2cc(C(=O)N(CC#N)CC(=O)[O-])nn2)c1	ZINC001599641705	994369113	/nfs/dbraw/zinc/36/91/13/994369113.db2.gz	INRGTOSXDLWUDU-UHFFFAOYSA-N	-1	0	315.289	0.326	20	30		DCEDRM
C[C@H](NC[C@@H](O)CN(C)CCC#N)c1ncc(C(=O)[O-])s1	ZINC001593248078	994468914	/nfs/dbraw/zinc/46/89/14/994468914.db2.gz	SMZDUUNVAQUAFV-VHSXEESVSA-N	-1	0	312.395	0.698	20	30		DCEDRM
CC[C@](C)([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(N)=O	ZINC001464669092	1015935625	/nfs/dbraw/zinc/93/56/25/1015935625.db2.gz	REUOOERZRLJHKB-LBPRGKRZSA-N	-1	0	317.317	0.769	20	30		DCEDRM
COC(=O)C1CCC(NC(=O)c2c[nH]c(C#N)c2)(C(=O)[O-])CC1	ZINC001598786585	996034477	/nfs/dbraw/zinc/03/44/77/996034477.db2.gz	KZWRWLKQGZYQHS-UHFFFAOYSA-N	-1	0	319.317	0.803	20	30		DCEDRM
CC(C)Cn1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001465496956	1016005086	/nfs/dbraw/zinc/00/50/86/1016005086.db2.gz	ACKZXNWWTTWZFG-UHFFFAOYSA-N	-1	0	316.321	0.312	20	30		DCEDRM
CC1(C)C[C@@H](S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)CO1	ZINC001593864028	996664986	/nfs/dbraw/zinc/66/49/86/996664986.db2.gz	OJUREFLTUIEDGE-SNVBAGLBSA-N	-1	0	316.379	0.574	20	30		DCEDRM
C[C@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@@H]1NCC#N	ZINC001502759825	1016058590	/nfs/dbraw/zinc/05/85/90/1016058590.db2.gz	MUHKOQKHZOAZRO-IUCAKERBSA-N	-1	0	320.315	0.404	20	30		DCEDRM
CC1(C)CCCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H]1C#N	ZINC001593910133	996790693	/nfs/dbraw/zinc/79/06/93/996790693.db2.gz	CYJNAFRZSQGMKQ-VIFPVBQESA-N	-1	0	312.351	0.811	20	30		DCEDRM
COCC[C@@](C)(C#N)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC001599209117	997465689	/nfs/dbraw/zinc/46/56/89/997465689.db2.gz	FTNSIPAOPODIPF-JTQLQIEISA-N	-1	0	319.364	0.438	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CN1CCC(C)(C#N)CC1	ZINC001598925662	997642457	/nfs/dbraw/zinc/64/24/57/997642457.db2.gz	VHJNYBFNTFMUDB-UHFFFAOYSA-N	-1	0	306.322	0.951	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CN1CCC[C@](C)(C#N)C1	ZINC001598926975	997665898	/nfs/dbraw/zinc/66/58/98/997665898.db2.gz	YSDDODCUFPGSCT-CQSZACIVSA-N	-1	0	306.322	0.951	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)c2ccc(C#N)c(C)n2)[C@@H](C(=O)[O-])C1	ZINC001599120011	997721617	/nfs/dbraw/zinc/72/16/17/997721617.db2.gz	JRPPJLOOMLIBRH-DGCLKSJQSA-N	-1	0	303.318	0.966	20	30		DCEDRM
COCCCNC(=O)CN(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC001599225429	997748880	/nfs/dbraw/zinc/74/88/80/997748880.db2.gz	IRWZPYKQDPDIEU-UHFFFAOYSA-N	-1	0	319.361	0.841	20	30		DCEDRM
COCCCNC(=O)CN(C)c1ccc(C(=O)[O-])nc1C#N	ZINC001599225453	997750523	/nfs/dbraw/zinc/75/05/23/997750523.db2.gz	JVXLFJNHPJQYII-UHFFFAOYSA-N	-1	0	306.322	0.240	20	30		DCEDRM
CO[C@@H]1CCN(S(=O)(=O)CC(C)(C)C#N)[C@H](C(=O)[O-])C1	ZINC001599123238	997781058	/nfs/dbraw/zinc/78/10/58/997781058.db2.gz	JBHHIJUUDSWRLH-ZJUUUORDSA-N	-1	0	304.368	0.430	20	30		DCEDRM
COc1c(NC(=O)C(=O)N[C@H](C)CC#N)cccc1C(=O)[O-]	ZINC001599335512	997829024	/nfs/dbraw/zinc/82/90/24/997829024.db2.gz	BATYUIHXNZHCBD-MRVPVSSYSA-N	-1	0	305.290	0.750	20	30		DCEDRM
COc1cc(C#N)ccc1CN1CC(=O)N(C)C[C@H]1C(=O)[O-]	ZINC001599349257	998064407	/nfs/dbraw/zinc/06/44/07/998064407.db2.gz	LOAUOBISVGWIAM-LBPRGKRZSA-N	-1	0	303.318	0.294	20	30		DCEDRM
CC[C@@](COC)(NC(=O)c1[n-]c(=O)c(C#N)cc1C)C(=O)OC	ZINC001468748941	1016276102	/nfs/dbraw/zinc/27/61/02/1016276102.db2.gz	FWUMAZFNUDJUPR-HNNXBMFYSA-N	-1	0	321.333	0.665	20	30		DCEDRM
CO[C@H](CS(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1CC1	ZINC001599056981	999236852	/nfs/dbraw/zinc/23/68/52/999236852.db2.gz	DXJBFESQIVMMRR-LLVKDONJSA-N	-1	0	316.379	0.432	20	30		DCEDRM
CO[C@@H](CS(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1)C(C)C	ZINC001599058463	999248193	/nfs/dbraw/zinc/24/81/93/999248193.db2.gz	LMQODIKIKSLLSC-NSHDSACASA-N	-1	0	318.395	0.678	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2cccc(N3CCC3=O)c2)c(C#N)c1=O	ZINC001472773174	1016852886	/nfs/dbraw/zinc/85/28/86/1016852886.db2.gz	ZKPYAMOYCKMJKN-UHFFFAOYSA-N	-1	0	311.301	0.426	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H](O)c2ccc(F)cc2)c(C#N)c1=O	ZINC001472770694	1016851839	/nfs/dbraw/zinc/85/18/39/1016851839.db2.gz	GCTPBOASSYIPPP-LLVKDONJSA-N	-1	0	304.281	0.230	20	30		DCEDRM
C[C@@H]1C[C@@]2(CC[C@H](CNc3[n-]c(=O)n(C)c(=O)c3C#N)O2)CO1	ZINC001472879801	1016865245	/nfs/dbraw/zinc/86/52/45/1016865245.db2.gz	JXDBQQWSDVDJLY-FCHSOHFDSA-N	-1	0	320.349	0.084	20	30		DCEDRM
CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1n[nH]c(C)c1[O-]	ZINC001415819657	1005616582	/nfs/dbraw/zinc/61/65/82/1005616582.db2.gz	GWDNRZCKFSQWSZ-VIFPVBQESA-N	-1	0	307.354	0.552	20	30		DCEDRM
CCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1n[nH]c(C)c1[O-]	ZINC001415819652	1005616738	/nfs/dbraw/zinc/61/67/38/1005616738.db2.gz	GWDNRZCKFSQWSZ-SECBINFHSA-N	-1	0	307.354	0.552	20	30		DCEDRM
CC(=O)N1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)[C@H](C)C1	ZINC001417668931	1005863843	/nfs/dbraw/zinc/86/38/43/1005863843.db2.gz	LRUAUZOONXGJJD-SNVBAGLBSA-N	-1	0	302.334	0.660	20	30		DCEDRM
Cc1onc(CC(=O)N2CCSC[C@@H]2c2nnn[n-]2)c1C#N	ZINC001417720558	1005875635	/nfs/dbraw/zinc/87/56/35/1005875635.db2.gz	XHYQTXPHKGSUNP-SNVBAGLBSA-N	-1	0	319.350	0.227	20	30		DCEDRM
Cc1cc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc(C)n1	ZINC001451731478	1006382709	/nfs/dbraw/zinc/38/27/09/1006382709.db2.gz	SNPPOWHLGDJMSW-UHFFFAOYSA-N	-1	0	313.317	0.149	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](CC(C)C)NC(=O)[C@@H](C)C#N)c1[O-]	ZINC001451761231	1006395007	/nfs/dbraw/zinc/39/50/07/1006395007.db2.gz	VOVOSDUHMBSSIX-GXSJLCMTSA-N	-1	0	321.381	0.844	20	30		DCEDRM
C#CCO[N-]C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1	ZINC001453282355	1007380951	/nfs/dbraw/zinc/38/09/51/1007380951.db2.gz	SEOVLGZWMBSEIP-UHFFFAOYSA-N	-1	0	302.117	0.799	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)CCc2nnn[n-]2)c1	ZINC001441769393	1008495611	/nfs/dbraw/zinc/49/56/11/1008495611.db2.gz	XICKJDLNOXBYAN-UHFFFAOYSA-N	-1	0	312.333	0.211	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@H](C(N)=O)C2)cc1C#N	ZINC001433677096	1009062979	/nfs/dbraw/zinc/06/29/79/1009062979.db2.gz	NDLDSCNIKVTUEO-ZETCQYMHSA-N	-1	0	306.347	0.328	20	30		DCEDRM
CC[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1ncc[nH]1	ZINC001433935961	1009370468	/nfs/dbraw/zinc/37/04/68/1009370468.db2.gz	SAXCXCDOVDRBAK-JTQLQIEISA-N	-1	0	316.321	0.201	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H](C#N)C2CCCC2)c(=O)[n-]c1=O	ZINC001455215321	1009588706	/nfs/dbraw/zinc/58/87/06/1009588706.db2.gz	VQCAQUKQZGNSMB-LBPRGKRZSA-N	-1	0	315.333	0.409	20	30		DCEDRM
CC[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H](C)CO1	ZINC001434153436	1009616104	/nfs/dbraw/zinc/61/61/04/1009616104.db2.gz	XUVTZHKTBLVKLW-ZYHUDNBSSA-N	-1	0	320.349	0.237	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC[C@H]2CCCS2)c(=O)[n-]c1=O	ZINC001434241354	1009690076	/nfs/dbraw/zinc/69/00/76/1009690076.db2.gz	RGJZNKCXFZTLIT-LLVKDONJSA-N	-1	0	322.390	0.613	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)OCC	ZINC001434280685	1009720940	/nfs/dbraw/zinc/72/09/40/1009720940.db2.gz	BIZOQLVHGXVGSN-ZCFIWIBFSA-N	-1	0	316.701	0.087	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cc(Cl)ccn2)c(=O)[n-]c1=O	ZINC001434439105	1009956051	/nfs/dbraw/zinc/95/60/51/1009956051.db2.gz	WBWUJDVUWLGDKZ-UHFFFAOYSA-N	-1	0	319.708	0.299	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](CN(C)C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001456089900	1010089618	/nfs/dbraw/zinc/08/96/18/1010089618.db2.gz	ABNVPXHNFOKJQL-GXSJLCMTSA-N	-1	0	319.365	0.504	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2ncc(Br)cc2[O-])CCO1	ZINC001443311505	1010308039	/nfs/dbraw/zinc/30/80/39/1010308039.db2.gz	KYGJOYGXOLXHRO-MRVPVSSYSA-N	-1	0	312.123	0.914	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@]12CC(=O)N[C@H]1CCCC2	ZINC001456994532	1011554542	/nfs/dbraw/zinc/55/45/42/1011554542.db2.gz	YFBRDNZRDWQFKL-MEDUHNTESA-N	-1	0	314.345	0.898	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cccnc2-n2cccn2)c(C#N)c1=O	ZINC001458120237	1012082560	/nfs/dbraw/zinc/08/25/60/1012082560.db2.gz	KOAVFTLWAHYQSE-UHFFFAOYSA-N	-1	0	323.316	0.138	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001561718904	1012476952	/nfs/dbraw/zinc/47/69/52/1012476952.db2.gz	VVHOMHVLFQJSHL-SECBINFHSA-N	-1	0	314.319	0.353	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCOC2CCSCC2)c(C#N)c1=O	ZINC001516050386	1017139304	/nfs/dbraw/zinc/13/93/04/1017139304.db2.gz	FDMGZLKXMXAECJ-UHFFFAOYSA-N	-1	0	310.379	0.269	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC001479462781	1017561568	/nfs/dbraw/zinc/56/15/68/1017561568.db2.gz	DBOPFCYHFHWMJL-UHFFFAOYSA-N	-1	0	317.349	0.326	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@](C)(NC(=O)[C@H](C)C#N)C2CC2)c1[O-]	ZINC001499694836	1018041729	/nfs/dbraw/zinc/04/17/29/1018041729.db2.gz	NFBYAIUUJXLWCG-ANRSDYALSA-N	-1	0	319.365	0.598	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](NC(=O)C#CC(C)C)C(C)C)c1[O-]	ZINC001500796030	1018662063	/nfs/dbraw/zinc/66/20/63/1018662063.db2.gz	CRFBSBCOIRWQMX-GFCCVEGCSA-N	-1	0	320.393	0.954	20	30		DCEDRM
C#CC[C@@H](NC(=O)CN(C(=O)OC(C)(C)C)C1CC1)C(=O)[O-]	ZINC001609078715	1170802474	/nfs/dbraw/zinc/80/24/74/1170802474.db2.gz	FBRAPQAYOGXABE-LLVKDONJSA-N	-1	0	310.350	0.979	20	30		DCEDRM
CCc1ccc(S(=O)(=O)N2CCOC[C@@H]2C#N)cc1C(=O)[O-]	ZINC000273846996	529696571	/nfs/dbraw/zinc/69/65/71/529696571.db2.gz	XTFPCSBTSJDGMQ-NSHDSACASA-N	-1	0	324.358	0.860	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)NCC(F)(F)F)cc1O	ZINC000188329851	237371969	/nfs/dbraw/zinc/37/19/69/237371969.db2.gz	BZBPCAQXWSHNLV-UHFFFAOYSA-N	-1	0	301.224	0.672	20	30		DCEDRM
O=C(CNC(=O)c1s[n-]c(=O)c1Cl)N1CCOCC1	ZINC000328746977	238559139	/nfs/dbraw/zinc/55/91/39/238559139.db2.gz	ASCUFAHPLHWBMC-UHFFFAOYSA-N	-1	0	305.743	0.666	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)NC2(c3ccccc3)CCC2)c1=O	ZINC000566219085	291283668	/nfs/dbraw/zinc/28/36/68/291283668.db2.gz	HJCHIAHNHBCRPQ-UHFFFAOYSA-N	-1	0	324.340	0.604	20	30		DCEDRM
Cc1ccccc1CN(C)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000566854846	291326329	/nfs/dbraw/zinc/32/63/29/291326329.db2.gz	DCCANVYZLVEJCU-UHFFFAOYSA-N	-1	0	312.329	0.375	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c1ccc(C#N)cc1	ZINC000420525374	240041033	/nfs/dbraw/zinc/04/10/33/240041033.db2.gz	FGKJKVXKYKMCEY-WDEREUQCSA-N	-1	0	317.345	0.915	20	30		DCEDRM
C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000567617461	291364872	/nfs/dbraw/zinc/36/48/72/291364872.db2.gz	KSNZOSNQOKYURO-QMMMGPOBSA-N	-1	0	300.311	0.837	20	30		DCEDRM
C[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000496328444	241243468	/nfs/dbraw/zinc/24/34/68/241243468.db2.gz	RDWITGYSIXYBED-MRVPVSSYSA-N	-1	0	305.356	0.259	20	30		DCEDRM
COCCN(C)S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N	ZINC000574711137	291711694	/nfs/dbraw/zinc/71/16/94/291711694.db2.gz	LJTMTZYSTCJPOK-UHFFFAOYSA-N	-1	0	315.399	0.745	20	30		DCEDRM
N#Cc1ccc(SCC(=O)NC2(c3nnn[n-]3)CC2)cc1	ZINC000348295720	254230127	/nfs/dbraw/zinc/23/01/27/254230127.db2.gz	ZBOVIKKNMOOSGV-UHFFFAOYSA-N	-1	0	300.347	0.969	20	30		DCEDRM
COC(=O)c1coc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)c1	ZINC000351697419	254359454	/nfs/dbraw/zinc/35/94/54/254359454.db2.gz	NJBCVXGFBZQPGL-UHFFFAOYSA-N	-1	0	310.291	0.770	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N2CSC[C@@H]2C(=O)[O-])c1	ZINC000037463160	395727578	/nfs/dbraw/zinc/72/75/78/395727578.db2.gz	JOGQEYJTIZCFRU-LLVKDONJSA-N	-1	0	312.372	0.848	20	30		DCEDRM
COCCn1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)n1	ZINC000195452195	395828054	/nfs/dbraw/zinc/82/80/54/395828054.db2.gz	CTBABTJXRUXXOP-UHFFFAOYSA-N	-1	0	307.335	0.597	20	30		DCEDRM
COC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC000067899384	396037630	/nfs/dbraw/zinc/03/76/30/396037630.db2.gz	VGMGASCINFOUCP-UHFFFAOYSA-N	-1	0	320.330	0.729	20	30		DCEDRM
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1c(C#N)cnn1C	ZINC000156286763	396060948	/nfs/dbraw/zinc/06/09/48/396060948.db2.gz	VCUGVVATGUSLSS-UHFFFAOYSA-N	-1	0	322.394	0.951	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000279175346	396156774	/nfs/dbraw/zinc/15/67/74/396156774.db2.gz	HMSQKIOZNBSZPV-VIFPVBQESA-N	-1	0	306.369	0.175	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CCC(c2nc(=O)[n-][nH]2)CC1	ZINC000287735806	396419716	/nfs/dbraw/zinc/41/97/16/396419716.db2.gz	LXEKMRHRXFYVNY-UHFFFAOYSA-N	-1	0	315.293	0.657	20	30		DCEDRM
CSCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1	ZINC000594672247	396496264	/nfs/dbraw/zinc/49/62/64/396496264.db2.gz	JUBGSNLWOGHEAV-UHFFFAOYSA-N	-1	0	314.388	0.997	20	30		DCEDRM
N#Cc1sccc1N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC000594749947	396505831	/nfs/dbraw/zinc/50/58/31/396505831.db2.gz	VHCAUABGGXNTIV-NXEZZACHSA-N	-1	0	305.359	0.989	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)N[C@H](CCF)C(=O)[O-])c1	ZINC000594573242	396488159	/nfs/dbraw/zinc/48/81/59/396488159.db2.gz	LXAOVQPJOJKVHE-LLVKDONJSA-N	-1	0	318.301	0.930	20	30		DCEDRM
CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)N(CCC#N)CCOC	ZINC000581610998	396569902	/nfs/dbraw/zinc/56/99/02/396569902.db2.gz	KICNSCZKJPWBCD-LLVKDONJSA-N	-1	0	321.399	0.136	20	30		DCEDRM
C=CCCSCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000595276031	396576697	/nfs/dbraw/zinc/57/66/97/396576697.db2.gz	JWNFYHVMEULNHL-SNVBAGLBSA-N	-1	0	300.380	0.345	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)NCC1(C(=O)[O-])CC1	ZINC000581710625	396577006	/nfs/dbraw/zinc/57/70/06/396577006.db2.gz	NFZNRMKRTYGLOU-UHFFFAOYSA-N	-1	0	310.331	0.710	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(C)c(C(N)=O)c1)C(=O)[O-]	ZINC000541003043	396610352	/nfs/dbraw/zinc/61/03/52/396610352.db2.gz	AUWTYYFUGKKFTJ-LBPRGKRZSA-N	-1	0	324.358	0.239	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000596021412	396708903	/nfs/dbraw/zinc/70/89/03/396708903.db2.gz	CEVMRMMRLBYPSR-JQWIXIFHSA-N	-1	0	317.411	0.803	20	30		DCEDRM
N#CC1(CS(=O)(=O)NC2(C(=O)[O-])CCOCC2)CCC1	ZINC000596026829	396709749	/nfs/dbraw/zinc/70/97/49/396709749.db2.gz	NWWVDGNLOIDZNJ-UHFFFAOYSA-N	-1	0	302.352	0.233	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000563224700	396715410	/nfs/dbraw/zinc/71/54/10/396715410.db2.gz	BIUUTXMFCIYLGD-GFCCVEGCSA-N	-1	0	312.322	0.980	20	30		DCEDRM
CCOC[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000589681325	396721318	/nfs/dbraw/zinc/72/13/18/396721318.db2.gz	RUZMXAPGBOCHDE-GFCCVEGCSA-N	-1	0	312.347	0.521	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1F	ZINC000589974536	396733185	/nfs/dbraw/zinc/73/31/85/396733185.db2.gz	XTDGWKBFXQKQHK-LBPRGKRZSA-N	-1	0	314.294	0.219	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1	ZINC000629775458	396828377	/nfs/dbraw/zinc/82/83/77/396828377.db2.gz	DVGOXGJNSXNQJA-AAEUAGOBSA-N	-1	0	308.378	0.980	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1cccc(C(=O)[O-])c1	ZINC000591350070	396905319	/nfs/dbraw/zinc/90/53/19/396905319.db2.gz	HFZDBTAFIMHCPM-JTQLQIEISA-N	-1	0	311.363	0.811	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC000591568500	396930235	/nfs/dbraw/zinc/93/02/35/396930235.db2.gz	PKKMCSLDOSKABX-NHYWBVRUSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CCc1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000592211274	397133649	/nfs/dbraw/zinc/13/36/49/397133649.db2.gz	OAGZIJKSZLBDLP-CYBMUJFWSA-N	-1	0	303.318	0.748	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])s1	ZINC000619546590	397147122	/nfs/dbraw/zinc/14/71/22/397147122.db2.gz	GTBSIQFGPKEZLU-UHFFFAOYSA-N	-1	0	304.349	0.077	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1	ZINC000592426319	397172723	/nfs/dbraw/zinc/17/27/23/397172723.db2.gz	VASMGCJANYPABK-CQSZACIVSA-N	-1	0	305.265	0.787	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1	ZINC000592428551	397174216	/nfs/dbraw/zinc/17/42/16/397174216.db2.gz	YVUABAPIDRCECY-PWSUYJOCSA-N	-1	0	301.302	0.866	20	30		DCEDRM
CC(C)N(CC1CCC1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602138535	397316222	/nfs/dbraw/zinc/31/62/22/397316222.db2.gz	BGZNENFQIOYJIZ-UHFFFAOYSA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC[C@H]2C2CCC2)c(=O)[n-]c1=O	ZINC000602093819	397298465	/nfs/dbraw/zinc/29/84/65/397298465.db2.gz	CSKPXJITSHJZCX-LBPRGKRZSA-N	-1	0	302.334	0.612	20	30		DCEDRM
C[C@H]1CC(F)(F)CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602192143	397339856	/nfs/dbraw/zinc/33/98/56/397339856.db2.gz	WUHHEFJIYXKKFD-QMMMGPOBSA-N	-1	0	312.276	0.467	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000593269334	397345251	/nfs/dbraw/zinc/34/52/51/397345251.db2.gz	BBTZJAIMYIZOSI-WDEREUQCSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CC(C)[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C(C)C	ZINC000602158044	397327676	/nfs/dbraw/zinc/32/76/76/397327676.db2.gz	ANHAIDOMYCGEPL-GXTWGEPZSA-N	-1	0	318.377	0.960	20	30		DCEDRM
CC(C)[C@H]1N(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1(C)C	ZINC000602162388	397329137	/nfs/dbraw/zinc/32/91/37/397329137.db2.gz	XMWNNYNSMAVQRE-GFCCVEGCSA-N	-1	0	304.350	0.714	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N(CCO)CCC(=O)[O-]	ZINC000614375919	397428780	/nfs/dbraw/zinc/42/87/80/397428780.db2.gz	GKIQMURBCKFMNH-UHFFFAOYSA-N	-1	0	312.347	0.324	20	30		DCEDRM
C#CCN(C(=O)c1ccc(C)cc1O)[C@@H]1CCS(=O)(=O)C1	ZINC000490899245	397498777	/nfs/dbraw/zinc/49/87/77/397498777.db2.gz	NSIKNAZWKBMCRH-GFCCVEGCSA-N	-1	0	307.371	0.963	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)CC[C@@H]1C(=O)[O-]	ZINC000599940784	397547530	/nfs/dbraw/zinc/54/75/30/397547530.db2.gz	QZFRIIZPMVRYIM-MNOVXSKESA-N	-1	0	309.366	0.612	20	30		DCEDRM
CO[C@H](C)c1nc(=NC(=O)N2CCN(CCC#N)CC2)s[n-]1	ZINC000603017804	397552815	/nfs/dbraw/zinc/55/28/15/397552815.db2.gz	PCAOALSEMZGSIJ-SNVBAGLBSA-N	-1	0	324.410	0.731	20	30		DCEDRM
C=CCC[C@H](NC(=O)CNC(=O)/C=C/c1cccnc1)C(=O)[O-]	ZINC000493284898	397526864	/nfs/dbraw/zinc/52/68/64/397526864.db2.gz	FKQHDLSJBRQYPJ-GWJCSSMESA-N	-1	0	317.345	0.747	20	30		DCEDRM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1(C(=O)[O-])CC1	ZINC000579686794	397588072	/nfs/dbraw/zinc/58/80/72/397588072.db2.gz	USFUSXKZWQYICK-UHFFFAOYSA-N	-1	0	311.275	0.362	20	30		DCEDRM
COc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC000603919156	397628186	/nfs/dbraw/zinc/62/81/86/397628186.db2.gz	XIZHNSLKRJWYTG-UHFFFAOYSA-N	-1	0	314.301	0.259	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])ccc1C#N	ZINC000235840670	158633057	/nfs/dbraw/zinc/63/30/57/158633057.db2.gz	QTNWHPZWNIURJJ-ZYHUDNBSSA-N	-1	0	310.331	0.075	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1C#N	ZINC000261619878	158723365	/nfs/dbraw/zinc/72/33/65/158723365.db2.gz	GGILLPLAAZCIDV-JTQLQIEISA-N	-1	0	309.347	0.747	20	30		DCEDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]cc1C#N	ZINC000317510076	159005520	/nfs/dbraw/zinc/00/55/20/159005520.db2.gz	URSCWMOCVCQNIA-UHFFFAOYSA-N	-1	0	323.290	0.999	20	30		DCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCCOC1	ZINC000408488788	160118951	/nfs/dbraw/zinc/11/89/51/160118951.db2.gz	OIVXGLXMOVMIDV-CYBMUJFWSA-N	-1	0	309.347	0.575	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)Cc2c(F)cccc2C#N)n[n-]1	ZINC000352797892	415322178	/nfs/dbraw/zinc/32/21/78/415322178.db2.gz	SRUULZBBZDNKQF-UHFFFAOYSA-N	-1	0	323.309	0.400	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC000342878614	415331179	/nfs/dbraw/zinc/33/11/79/415331179.db2.gz	ZZNZZKLIWCWXJW-UHFFFAOYSA-N	-1	0	312.347	0.355	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccn2)cn1C	ZINC000352858208	415348208	/nfs/dbraw/zinc/34/82/08/415348208.db2.gz	MHTBFWLOVIYDQV-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)NCCSCC(=O)[O-]	ZINC000274948079	415370252	/nfs/dbraw/zinc/37/02/52/415370252.db2.gz	FYSXWJOMURTVKL-UHFFFAOYSA-N	-1	0	318.351	0.793	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	ZINC000290981363	415825637	/nfs/dbraw/zinc/82/56/37/415825637.db2.gz	QFDBXIVQKPWHRY-SNVBAGLBSA-N	-1	0	317.363	0.116	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1	ZINC000132746703	415935571	/nfs/dbraw/zinc/93/55/71/415935571.db2.gz	WJRGYTCWJGBUED-LLVKDONJSA-N	-1	0	316.423	0.903	20	30		DCEDRM
CNC(=O)[C@H]1CN(C(=O)c2s[n-]c(=O)c2Cl)CCO1	ZINC000328746306	416131158	/nfs/dbraw/zinc/13/11/58/416131158.db2.gz	AMDYKTWFYFTRSB-RXMQYKEDSA-N	-1	0	305.743	0.929	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2CC(=O)N(C)C2)cc1C#N	ZINC000338745528	416133539	/nfs/dbraw/zinc/13/35/39/416133539.db2.gz	MUMZWZIXDSXHGL-MRVPVSSYSA-N	-1	0	306.347	0.341	20	30		DCEDRM
CCCSc1nc(=NC(=O)NCC(=O)NCC#N)s[n-]1	ZINC000349690137	416258947	/nfs/dbraw/zinc/25/89/47/416258947.db2.gz	FFXKFFCYBKUKIC-UHFFFAOYSA-N	-1	0	314.396	0.223	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)o1	ZINC000361119270	416422336	/nfs/dbraw/zinc/42/23/36/416422336.db2.gz	HAGCGJPXDCULAQ-UHFFFAOYSA-N	-1	0	321.314	0.816	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)c1	ZINC000422678989	416447805	/nfs/dbraw/zinc/44/78/05/416447805.db2.gz	QTSSBKLCYBGAPX-NSHDSACASA-N	-1	0	301.302	0.820	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000491663625	416611937	/nfs/dbraw/zinc/61/19/37/416611937.db2.gz	ICVBYCPRLWVBDY-JTQLQIEISA-N	-1	0	310.375	0.784	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000424367308	416638108	/nfs/dbraw/zinc/63/81/08/416638108.db2.gz	LIALOPNXUNMHHK-GMTAPVOTSA-N	-1	0	303.384	0.650	20	30		DCEDRM
N#Cc1ccc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1Cl	ZINC000424479914	416654965	/nfs/dbraw/zinc/65/49/65/416654965.db2.gz	XYAZVCNPFXHFRT-NSHDSACASA-N	-1	0	314.750	0.900	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N(C)C1(C(=O)[O-])CCOCC1	ZINC000563224553	416876920	/nfs/dbraw/zinc/87/69/20/416876920.db2.gz	BZAJERLLPGCLIT-SNVBAGLBSA-N	-1	0	319.383	0.031	20	30		DCEDRM
N#C[C@@]1(F)CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1	ZINC000615643134	416877026	/nfs/dbraw/zinc/87/70/26/416877026.db2.gz	AEMACJSNBHGXJK-ZDUSSCGKSA-N	-1	0	308.338	0.946	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000616504873	417065622	/nfs/dbraw/zinc/06/56/22/417065622.db2.gz	BAHVHQYDZVARDI-GFCCVEGCSA-N	-1	0	301.302	0.534	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000643166880	417155117	/nfs/dbraw/zinc/15/51/17/417155117.db2.gz	YFFNGRKWKLDJLT-UHFFFAOYSA-N	-1	0	306.318	0.320	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCC[C@@]2(COC)C(=O)[O-])nn1	ZINC000643853779	417398713	/nfs/dbraw/zinc/39/87/13/417398713.db2.gz	KFEAPXNZZCDUCW-CQSZACIVSA-N	-1	0	308.338	0.560	20	30		DCEDRM
C=CCC[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C(=O)OCC	ZINC000456605874	417656859	/nfs/dbraw/zinc/65/68/59/417656859.db2.gz	LFXCYRIIFOUQPU-MRVPVSSYSA-N	-1	0	314.367	0.617	20	30		DCEDRM
C=CCC[C@H](NC(=O)C1(n2cnnn2)CCCCC1)C(=O)[O-]	ZINC000652069989	417841638	/nfs/dbraw/zinc/84/16/38/417841638.db2.gz	DOMPSYFXMFRZFK-NSHDSACASA-N	-1	0	307.354	0.868	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000659067652	418053677	/nfs/dbraw/zinc/05/36/77/418053677.db2.gz	NNPCLTNRIHSYFE-UHFFFAOYSA-N	-1	0	320.345	0.961	20	30		DCEDRM
C=CCOCC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC000653312398	418057389	/nfs/dbraw/zinc/05/73/89/418057389.db2.gz	MDNXDTLCYDYYEH-LLVKDONJSA-N	-1	0	310.350	0.113	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1Cc2cc(F)ccc2O1)C(=O)[O-]	ZINC000653658504	418099880	/nfs/dbraw/zinc/09/98/80/418099880.db2.gz	IZVVZCNRQFPAIQ-AAEUAGOBSA-N	-1	0	309.293	0.901	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cc(F)ccc1OC)C(=O)[O-]	ZINC000650412711	418309004	/nfs/dbraw/zinc/30/90/04/418309004.db2.gz	XIBWAMFEEIWLIC-SNVBAGLBSA-N	-1	0	315.322	0.979	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC000417430888	262251493	/nfs/dbraw/zinc/25/14/93/262251493.db2.gz	QHXIPGGHIUCNPF-SNVBAGLBSA-N	-1	0	312.322	0.934	20	30		DCEDRM
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC(=O)[O-]	ZINC000420597943	262378042	/nfs/dbraw/zinc/37/80/42/262378042.db2.gz	KHZGCXWAXQQMHG-UHFFFAOYSA-N	-1	0	317.345	0.886	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F	ZINC000420444750	268326509	/nfs/dbraw/zinc/32/65/09/268326509.db2.gz	MNZIFAXYEKFKIL-JTQLQIEISA-N	-1	0	302.306	0.229	20	30		DCEDRM
C=CCCCS(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000263125639	277829425	/nfs/dbraw/zinc/82/94/25/277829425.db2.gz	SBVNZTSZOYNVNM-JTQLQIEISA-N	-1	0	306.384	0.194	20	30		DCEDRM
C[C@H](CN(C)C(=O)c1ncc(C#N)cc1Cl)c1nnn[n-]1	ZINC000548138416	288115711	/nfs/dbraw/zinc/11/57/11/288115711.db2.gz	LLPXFRAJTHYUFB-SSDOTTSWSA-N	-1	0	305.729	0.995	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000548215114	288122229	/nfs/dbraw/zinc/12/22/29/288122229.db2.gz	HGGSDNQLBICUGF-VIFPVBQESA-N	-1	0	302.283	0.075	20	30		DCEDRM
C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)[O-]	ZINC000548524666	288150178	/nfs/dbraw/zinc/15/01/78/288150178.db2.gz	QAEFLDBCZFDVNW-ZETCQYMHSA-N	-1	0	313.291	0.465	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2cnc(C#N)cn2)C1=O	ZINC000416451272	279800634	/nfs/dbraw/zinc/80/06/34/279800634.db2.gz	ZCVSGPIUAKUXDZ-PWSUYJOCSA-N	-1	0	303.322	0.470	20	30		DCEDRM
C[C@H]([C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-])C1CC1	ZINC000554678024	288335310	/nfs/dbraw/zinc/33/53/10/288335310.db2.gz	IOQBYBWVBSKWNN-UFBFGSQYSA-N	-1	0	309.347	0.731	20	30		DCEDRM
CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000558473416	288444883	/nfs/dbraw/zinc/44/48/83/288444883.db2.gz	QYPXNRLUIRTOMB-WCBMZHEXSA-N	-1	0	302.308	0.044	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2cc(C#N)ncn2)C1=O	ZINC000561087864	288525668	/nfs/dbraw/zinc/52/56/68/288525668.db2.gz	SXWNYZOKJQVANY-JQWIXIFHSA-N	-1	0	303.322	0.470	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C	ZINC000263137864	298277136	/nfs/dbraw/zinc/27/71/36/298277136.db2.gz	NUXZIYJHAHJWOU-VWYCJHECSA-N	-1	0	303.384	0.650	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1C#N	ZINC000275230060	302014707	/nfs/dbraw/zinc/01/47/07/302014707.db2.gz	FIKBWWDAYWNENF-MWLCHTKSSA-N	-1	0	310.331	0.075	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1sc(C)nc1C)C(=O)[O-]	ZINC000564927223	332016815	/nfs/dbraw/zinc/01/68/15/332016815.db2.gz	RLTLRSICZXELRN-SECBINFHSA-N	-1	0	320.392	0.694	20	30		DCEDRM
C=CCCCCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000566480670	332445460	/nfs/dbraw/zinc/44/54/60/332445460.db2.gz	ABQCGRIKPVSCSJ-UHFFFAOYSA-N	-1	0	301.368	0.992	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000572751524	332724151	/nfs/dbraw/zinc/72/41/51/332724151.db2.gz	LESYDTBEOSCCJA-KWQFWETISA-N	-1	0	300.336	0.582	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F	ZINC000570215441	332727858	/nfs/dbraw/zinc/72/78/58/332727858.db2.gz	HMLOQHVCLJHWOR-SFYZADRCSA-N	-1	0	313.326	0.268	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C/c1cncc(C(=O)NC)c1	ZINC000492362562	333289765	/nfs/dbraw/zinc/28/97/65/333289765.db2.gz	HHDVJJKVFLPXFC-SNAWJCMRSA-N	-1	0	309.347	0.086	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000563624533	333639928	/nfs/dbraw/zinc/63/99/28/333639928.db2.gz	INGDVTVYGAVTQZ-MNOVXSKESA-N	-1	0	315.395	0.652	20	30		DCEDRM
COC(=O)N[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	ZINC000048652897	334290984	/nfs/dbraw/zinc/29/09/84/334290984.db2.gz	GPZDTLCHTJGCKT-UHFFFAOYSA-N	-1	0	305.268	0.357	20	30		DCEDRM
N#CCN1CCC(CNS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000443031453	338442340	/nfs/dbraw/zinc/44/23/40/338442340.db2.gz	WZEKAHWRNUHMJN-UHFFFAOYSA-N	-1	0	314.333	0.208	20	30		DCEDRM
Cc1cc(N=C([O-])CCN2CCCS2(=O)=O)cn(C)c1=O	ZINC000330194417	336122948	/nfs/dbraw/zinc/12/29/48/336122948.db2.gz	OSKBJVWNHJUXDW-UHFFFAOYSA-N	-1	0	313.379	0.707	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCc2[nH]cnc2C(=O)[O-])s1	ZINC001574250050	1159245229	/nfs/dbraw/zinc/24/52/29/1159245229.db2.gz	ROPRPFCCAORBQV-UHFFFAOYSA-N	-1	0	312.332	0.520	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)[O-]	ZINC000583697279	337083281	/nfs/dbraw/zinc/08/32/81/337083281.db2.gz	ZQIRDPDEBCLGJH-MWLCHTKSSA-N	-1	0	319.383	0.125	20	30		DCEDRM
CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000584414141	337321952	/nfs/dbraw/zinc/32/19/52/337321952.db2.gz	JJJLEGFEUNQXCE-HBNTYKKESA-N	-1	0	303.384	0.508	20	30		DCEDRM
C#CCN(CC#C)C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC000490762739	339839678	/nfs/dbraw/zinc/83/96/78/339839678.db2.gz	LFCARMYNLUSMBJ-UHFFFAOYSA-N	-1	0	321.340	0.585	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)C1CCCC1	ZINC000491417820	339861594	/nfs/dbraw/zinc/86/15/94/339861594.db2.gz	OUCHDHPAPQZXSA-JSGCOSHPSA-N	-1	0	320.389	0.960	20	30		DCEDRM
CCn1nccc1/C=C\C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000492347077	339898277	/nfs/dbraw/zinc/89/82/77/339898277.db2.gz	WSDNHJGQONDBIY-WAYWQWQTSA-N	-1	0	310.379	0.912	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C\c1ccco1	ZINC000493576291	339928666	/nfs/dbraw/zinc/92/86/66/339928666.db2.gz	CKCPPSUDPQEPQL-SREVYHEPSA-N	-1	0	324.358	0.268	20	30		DCEDRM
CCOC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C(C)C	ZINC000494714373	339958376	/nfs/dbraw/zinc/95/83/76/339958376.db2.gz	ZLXULLCLNMKIOZ-JTQLQIEISA-N	-1	0	319.383	0.507	20	30		DCEDRM
COC(=O)NCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000495430553	339984262	/nfs/dbraw/zinc/98/42/62/339984262.db2.gz	WORWHLYGLWFTSK-UHFFFAOYSA-N	-1	0	317.367	0.262	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCN1C(=O)OC(C)(C)C	ZINC000495572030	339987514	/nfs/dbraw/zinc/98/75/14/339987514.db2.gz	DWZSATMMIIPXEP-SECBINFHSA-N	-1	0	304.368	0.628	20	30		DCEDRM
CN(CC(=O)[N-]S(=O)(=O)CCC#N)C(=O)OC(C)(C)C	ZINC000495909038	339994498	/nfs/dbraw/zinc/99/44/98/339994498.db2.gz	GUKFYKIORSHXKC-UHFFFAOYSA-N	-1	0	305.356	0.213	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C	ZINC000496690812	340010614	/nfs/dbraw/zinc/01/06/14/340010614.db2.gz	LPTPAZNUIJTYJU-UHFFFAOYSA-N	-1	0	318.395	0.761	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000548235335	341253010	/nfs/dbraw/zinc/25/30/10/341253010.db2.gz	IFXZKSXKDCBWFD-UHFFFAOYSA-N	-1	0	309.347	0.791	20	30		DCEDRM
C[C@@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)N(C)CCC#N	ZINC000548266088	341253577	/nfs/dbraw/zinc/25/35/77/341253577.db2.gz	OCURLZUSOKQNRX-QWRGUYRKSA-N	-1	0	305.400	0.946	20	30		DCEDRM
COC[C@](C)(O)CNS(=O)(=O)CC1(C#N)CCCCC1	ZINC000548447524	341261201	/nfs/dbraw/zinc/26/12/01/341261201.db2.gz	AZYWYGBFBILUIW-GFCCVEGCSA-N	-1	0	304.412	0.777	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC000566313167	341553744	/nfs/dbraw/zinc/55/37/44/341553744.db2.gz	FALWQPHCQNBXJN-CMPLNLGQSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000568001850	341645008	/nfs/dbraw/zinc/64/50/08/341645008.db2.gz	JYDIPGPJCJIOFB-DTWKUNHWSA-N	-1	0	307.397	0.172	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-]	ZINC000577615417	341923614	/nfs/dbraw/zinc/92/36/14/341923614.db2.gz	MLQQGXVKLKJOTC-MNOVXSKESA-N	-1	0	305.400	0.896	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)o1	ZINC000265620287	534241660	/nfs/dbraw/zinc/24/16/60/534241660.db2.gz	ZSRWFPQKHGRKCW-UHFFFAOYSA-N	-1	0	324.318	0.977	20	30		DCEDRM
N#CCCCS(=O)(=O)N(CCC(=O)[O-])Cc1ccccn1	ZINC000275193065	534618941	/nfs/dbraw/zinc/61/89/41/534618941.db2.gz	ZWEYHFTXQURSKX-UHFFFAOYSA-N	-1	0	311.363	0.992	20	30		DCEDRM
COC[C@H](O)CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000130409753	522779733	/nfs/dbraw/zinc/77/97/33/522779733.db2.gz	UDZNCQNFEOPWJU-SECBINFHSA-N	-1	0	320.317	0.512	20	30		DCEDRM
N#CCNC(=O)CNC(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000344171645	534685397	/nfs/dbraw/zinc/68/53/97/534685397.db2.gz	XODHFTGFOZTBBQ-UHFFFAOYSA-N	-1	0	317.280	0.087	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000356620806	526377738	/nfs/dbraw/zinc/37/77/38/526377738.db2.gz	OCVROKDPLZIAHG-CYBMUJFWSA-N	-1	0	309.326	0.388	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@@H](N(CC(=O)[O-])C(C)=O)CC1	ZINC000262876969	526692000	/nfs/dbraw/zinc/69/20/00/526692000.db2.gz	DWBQILXSJQDONG-CYBMUJFWSA-N	-1	0	312.366	0.503	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1Oc2ccccc2O[C@H]1C)C(=O)[O-]	ZINC000262873406	526807818	/nfs/dbraw/zinc/80/78/18/526807818.db2.gz	BNZCLZALSJRYEX-MJVIPROJSA-N	-1	0	321.329	0.987	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000159605815	527113848	/nfs/dbraw/zinc/11/38/48/527113848.db2.gz	BJJCTAGXEGVRGQ-SNVBAGLBSA-N	-1	0	313.331	0.765	20	30		DCEDRM
C#CCSCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000266830982	527149916	/nfs/dbraw/zinc/14/99/16/527149916.db2.gz	IDRUZRARBOMJQD-UHFFFAOYSA-N	-1	0	318.358	0.841	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000291850826	527244723	/nfs/dbraw/zinc/24/47/23/527244723.db2.gz	IOFQJHGQRPKGKB-NSHDSACASA-N	-1	0	301.368	0.301	20	30		DCEDRM
C=CCN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000261990489	527545173	/nfs/dbraw/zinc/54/51/73/527545173.db2.gz	CSSPDZUMAJTPCG-GMTAPVOTSA-N	-1	0	301.364	0.299	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424386209	535763397	/nfs/dbraw/zinc/76/33/97/535763397.db2.gz	DRFZUVUJRCJIJN-JTQLQIEISA-N	-1	0	305.400	0.803	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-]	ZINC000159619114	545860645	/nfs/dbraw/zinc/86/06/45/545860645.db2.gz	QDGVIZBXPJCRFN-CYBMUJFWSA-N	-1	0	310.375	0.908	20	30		DCEDRM
C=CCCCCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000516877788	546280266	/nfs/dbraw/zinc/28/02/66/546280266.db2.gz	MRXQFSAZWYOGFU-NSHDSACASA-N	-1	0	318.395	0.626	20	30		DCEDRM
COCCn1cc([C@H]2[C@H](C(=O)NO)CC(=O)N2C(C)(C)C)cn1	ZINC000671995866	547309544	/nfs/dbraw/zinc/30/95/44/547309544.db2.gz	LAXNQFSFDDTGQS-YPMHNXCESA-N	-1	0	324.381	0.723	20	30		DCEDRM
CC(C)c1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)on1	ZINC000735922606	598878280	/nfs/dbraw/zinc/87/82/80/598878280.db2.gz	NFSYPYAAHRIHPB-UHFFFAOYSA-N	-1	0	313.281	0.825	20	30		DCEDRM
CN(CC(=O)[O-])C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000737980804	596899055	/nfs/dbraw/zinc/89/90/55/596899055.db2.gz	PLIZZEONGVYVCO-UHFFFAOYSA-N	-1	0	310.331	0.016	20	30		DCEDRM
C[C@H](C#N)CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000738597374	597004138	/nfs/dbraw/zinc/00/41/38/597004138.db2.gz	RKMPYVNPVBJEHJ-MFKMUULPSA-N	-1	0	300.318	0.982	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(c2ccccn2)C1	ZINC000819834433	597603450	/nfs/dbraw/zinc/60/34/50/597603450.db2.gz	NFEPNYVNZRLYCE-XHDPSFHLSA-N	-1	0	302.334	0.781	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCCCC1	ZINC000819865598	597619723	/nfs/dbraw/zinc/61/97/23/597619723.db2.gz	MTJVBNTZVULAED-AWEZNQCLSA-N	-1	0	321.333	0.877	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(Cc2ccco2)CC1	ZINC000819822652	597629439	/nfs/dbraw/zinc/62/94/39/597629439.db2.gz	PFBCTTWVSXPJFC-HNNXBMFYSA-N	-1	0	305.334	0.928	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(Nc2cccnn2)CC1	ZINC000819811931	597643964	/nfs/dbraw/zinc/64/39/64/597643964.db2.gz	XQNUFDTYEVOEOV-HNNXBMFYSA-N	-1	0	317.349	0.884	20	30		DCEDRM
CC(C)OCCN1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820033085	597652891	/nfs/dbraw/zinc/65/28/91/597652891.db2.gz	WRSLFRRCADJDHD-OAHLLOKOSA-N	-1	0	311.382	0.560	20	30		DCEDRM
O=C([O-])CNC(=O)CON=Cc1ccccc1OC(F)F	ZINC000821533119	597761307	/nfs/dbraw/zinc/76/13/07/597761307.db2.gz	ZEMLXGQAYXMOSF-UHFFFAOYSA-N	-1	0	302.233	0.839	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CCC(=O)[O-])CC1	ZINC000819954879	598172157	/nfs/dbraw/zinc/17/21/57/598172157.db2.gz	CJSAROIZMNRCAW-CYBMUJFWSA-N	-1	0	310.398	0.085	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCN1CCCCCC1=O	ZINC000819835225	598222264	/nfs/dbraw/zinc/22/22/64/598222264.db2.gz	UDGZMNCJWKETCR-OAHLLOKOSA-N	-1	0	309.366	0.900	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1cn2ccccc2n1	ZINC000819842112	598223101	/nfs/dbraw/zinc/22/31/01/598223101.db2.gz	JEBYGRCLZKYHEP-HNNXBMFYSA-N	-1	0	300.318	0.998	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2cccnn2)CC1	ZINC000819823063	598226038	/nfs/dbraw/zinc/22/60/38/598226038.db2.gz	RNMJLAWCUIBZPV-CQSZACIVSA-N	-1	0	303.322	0.130	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCNC(=O)c1ccccc1	ZINC000819833970	598226053	/nfs/dbraw/zinc/22/60/53/598226053.db2.gz	LAFJDMFOJFAJIE-INIZCTEOSA-N	-1	0	317.345	0.927	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)CCSCC(=O)[O-])CC1	ZINC000736079117	599753031	/nfs/dbraw/zinc/75/30/31/599753031.db2.gz	HILNZKHVQSWGJF-UHFFFAOYSA-N	-1	0	312.391	0.182	20	30		DCEDRM
COC(=O)CN(CCC(=O)Nc1ccc(C#N)cc1)CC(=O)[O-]	ZINC000737619811	599757673	/nfs/dbraw/zinc/75/76/73/599757673.db2.gz	LVNMOBVYAMQNMI-UHFFFAOYSA-N	-1	0	319.317	0.446	20	30		DCEDRM
N#CCNC(=O)COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000738425605	599952424	/nfs/dbraw/zinc/95/24/24/599952424.db2.gz	HTOGEMYKUSFITE-UHFFFAOYSA-N	-1	0	307.218	0.090	20	30		DCEDRM
CNC(=O)c1ccc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)cc1	ZINC000737546296	599969332	/nfs/dbraw/zinc/96/93/32/599969332.db2.gz	GWSGRISOMUALDW-UHFFFAOYSA-N	-1	0	311.297	0.826	20	30		DCEDRM
N#Cc1ccc(OC[C@@H](O)CN2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000738431553	599972826	/nfs/dbraw/zinc/97/28/26/599972826.db2.gz	XFNCQDTXIRUPSV-JSGCOSHPSA-N	-1	0	306.318	0.083	20	30		DCEDRM
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCO[C@@H](C(=O)[O-])C1	ZINC000736219129	599978416	/nfs/dbraw/zinc/97/84/16/599978416.db2.gz	WMKSKSMCBBGSKM-ZWNOBZJWSA-N	-1	0	303.318	0.671	20	30		DCEDRM
C=CCNC(=O)COC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC000736105595	599984906	/nfs/dbraw/zinc/98/49/06/599984906.db2.gz	AGYVBMRZVNWWPH-UHFFFAOYSA-N	-1	0	322.317	0.612	20	30		DCEDRM
N#CCOc1cccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000738426156	600008680	/nfs/dbraw/zinc/00/86/80/600008680.db2.gz	NGPMBXIZNFBQIT-GFCCVEGCSA-N	-1	0	305.290	0.906	20	30		DCEDRM
N#Cc1ccc(OC2CCN(CC(=O)NCC(=O)[O-])CC2)cc1	ZINC000739128764	600120232	/nfs/dbraw/zinc/12/02/32/600120232.db2.gz	KDXNFHWHWWIANT-UHFFFAOYSA-N	-1	0	317.345	0.602	20	30		DCEDRM
N#Cc1cccc(CNC(=O)COC(=O)[C@H]2C[C@H]2C(=O)[O-])c1	ZINC000739133830	600167317	/nfs/dbraw/zinc/16/73/17/600167317.db2.gz	PWOBNQJJISTHRK-NEPJUHHUSA-N	-1	0	302.286	0.438	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN(C)[C@@H](C(=O)[O-])c1ccccc1	ZINC000736105732	600215663	/nfs/dbraw/zinc/21/56/63/600215663.db2.gz	GXRPRRWUGSQDNV-CYBMUJFWSA-N	-1	0	305.334	0.756	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)CSc1ccc(C#N)cc1	ZINC000737563289	600241973	/nfs/dbraw/zinc/24/19/73/600241973.db2.gz	CWHAKANOEURYFS-NSHDSACASA-N	-1	0	322.342	0.783	20	30		DCEDRM
CCC[C@](C)(NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000736955034	600387890	/nfs/dbraw/zinc/38/78/90/600387890.db2.gz	XNAQSPSZYKFBHX-LHNRBYRGSA-N	-1	0	323.349	0.663	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CSCC(=O)N1CCCCC1	ZINC000739078353	600409087	/nfs/dbraw/zinc/40/90/87/600409087.db2.gz	FRNMVDOPBSLHKT-UHFFFAOYSA-N	-1	0	313.379	0.169	20	30		DCEDRM
N#Cc1ccc(NCCNS(=O)(=O)CCCC(=O)[O-])nc1	ZINC000738430206	600492889	/nfs/dbraw/zinc/49/28/89/600492889.db2.gz	BZRXOLUAFHMKLA-UHFFFAOYSA-N	-1	0	312.351	0.149	20	30		DCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000736706731	600535199	/nfs/dbraw/zinc/53/51/99/600535199.db2.gz	DMGOHMVYOBBUEK-MRVPVSSYSA-N	-1	0	315.289	0.709	20	30		DCEDRM
N#Cc1nc(NC(=O)CC2(O)CCCC2)[n-]c1-c1nn[nH]n1	ZINC000826382776	607460980	/nfs/dbraw/zinc/46/09/80/607460980.db2.gz	UMJBQVFTSIYIBK-UHFFFAOYSA-N	-1	0	302.298	0.095	20	30		DCEDRM
C[C@]1(C(=O)N(CC#N)CC(=O)[O-])Cc2ccccc2C(=O)O1	ZINC000736727181	600674963	/nfs/dbraw/zinc/67/49/63/600674963.db2.gz	DOHOXLKHKRIHOS-OAHLLOKOSA-N	-1	0	302.286	0.595	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cc(F)c(F)c(F)c1	ZINC000833066548	600754450	/nfs/dbraw/zinc/75/44/50/600754450.db2.gz	AWWPFYMENFBLMP-UHFFFAOYSA-N	-1	0	308.237	0.703	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000739087097	600797201	/nfs/dbraw/zinc/79/72/01/600797201.db2.gz	UWVFFMUMTZRQLC-UHFFFAOYSA-N	-1	0	317.254	0.333	20	30		DCEDRM
C#CCCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC000825605824	600926088	/nfs/dbraw/zinc/92/60/88/600926088.db2.gz	RODAGRFBQOUPSV-CYBMUJFWSA-N	-1	0	316.313	0.395	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN(CC(=O)[O-])C1CCOCC1	ZINC000829642047	601045898	/nfs/dbraw/zinc/04/58/98/601045898.db2.gz	GBDIZINZUCHXRA-LBPRGKRZSA-N	-1	0	311.382	0.560	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1ccncc1	ZINC000825664534	601262010	/nfs/dbraw/zinc/26/20/10/601262010.db2.gz	CXAURMUCVODJBH-GFCCVEGCSA-N	-1	0	313.379	0.940	20	30		DCEDRM
C[C@H](CS(=O)(=O)NCCNc1ncccc1C#N)C(=O)[O-]	ZINC000827562422	601275165	/nfs/dbraw/zinc/27/51/65/601275165.db2.gz	ABTAUCSNIKGXMQ-SECBINFHSA-N	-1	0	312.351	0.005	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)CNc1ccc(C#N)cc1	ZINC000831553994	601298158	/nfs/dbraw/zinc/29/81/58/601298158.db2.gz	OKOCJTCVIOPWGU-OAHLLOKOSA-N	-1	0	305.334	0.966	20	30		DCEDRM
COCC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000831541281	601311799	/nfs/dbraw/zinc/31/17/99/601311799.db2.gz	QSDNQNWBCPPELK-OAHLLOKOSA-N	-1	0	317.345	0.475	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)ccc1F	ZINC000738426031	601340043	/nfs/dbraw/zinc/34/00/43/601340043.db2.gz	ROXQANCABXHEDK-UHFFFAOYSA-N	-1	0	319.292	0.959	20	30		DCEDRM
CN1C[C@@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1=O	ZINC000830913855	601348488	/nfs/dbraw/zinc/34/84/88/601348488.db2.gz	XDJSGPDRMIMTKQ-WCQYABFASA-N	-1	0	302.286	0.705	20	30		DCEDRM
N#CCCn1ncc2c1ncnc2N1CC[C@](F)(C(=O)[O-])C1	ZINC000833065530	601380200	/nfs/dbraw/zinc/38/02/00/601380200.db2.gz	BYUSTIIZQLMUNF-CYBMUJFWSA-N	-1	0	304.285	0.743	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)ccc1F	ZINC000833069673	601481817	/nfs/dbraw/zinc/48/18/17/601481817.db2.gz	KUMMNQJYPUJAOI-CQSZACIVSA-N	-1	0	323.255	0.661	20	30		DCEDRM
C#CCN1CCN(C(=O)CNc2ccc(F)c(C(=O)[O-])c2)CC1	ZINC000825618629	601577791	/nfs/dbraw/zinc/57/77/91/601577791.db2.gz	DKSQAVSJFMQGHR-UHFFFAOYSA-N	-1	0	319.336	0.713	20	30		DCEDRM
C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)C(=O)NCC(=O)[O-]	ZINC000827844647	601607277	/nfs/dbraw/zinc/60/72/77/601607277.db2.gz	SPHCBVKOZQJTSH-ZCFIWIBFSA-N	-1	0	312.228	0.583	20	30		DCEDRM
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000828500605	601724870	/nfs/dbraw/zinc/72/48/70/601724870.db2.gz	VIVHHNIYKMUAQA-GMTAPVOTSA-N	-1	0	315.333	0.106	20	30		DCEDRM
O=C([O-])c1cc(CN=Nc2nccc(N3CCOCC3)n2)c[nH]1	ZINC000814871454	601881012	/nfs/dbraw/zinc/88/10/12/601881012.db2.gz	SKUFFKMSKUTQPU-UHFFFAOYSA-N	-1	0	316.321	0.786	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])CCO1	ZINC000833061448	601982244	/nfs/dbraw/zinc/98/22/44/601982244.db2.gz	BVWPQZGWFWQROD-QMMMGPOBSA-N	-1	0	314.294	0.437	20	30		DCEDRM
N#Cc1ccc(N2CCC(NC(=O)CNC(=O)[O-])CC2)nc1	ZINC000738431934	602038681	/nfs/dbraw/zinc/03/86/81/602038681.db2.gz	CSYUYWYHOYTMGS-UHFFFAOYSA-N	-1	0	303.322	0.306	20	30		DCEDRM
C[C@H](CC(=O)[O-])C(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000827261732	602081418	/nfs/dbraw/zinc/08/14/18/602081418.db2.gz	AVGZBZIEZDFQMG-LLVKDONJSA-N	-1	0	302.334	0.713	20	30		DCEDRM
Cc1ccc(C#N)cc1OS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000832910462	602319342	/nfs/dbraw/zinc/31/93/42/602319342.db2.gz	LBLHDMDPIXIJHR-UHFFFAOYSA-N	-1	0	321.314	0.916	20	30		DCEDRM
C[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@H]1C(=O)[O-]	ZINC000828310371	602396086	/nfs/dbraw/zinc/39/60/86/602396086.db2.gz	LLCMMNNPEKBTJR-CMPLNLGQSA-N	-1	0	301.298	0.946	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1	ZINC000823455525	603534427	/nfs/dbraw/zinc/53/44/27/603534427.db2.gz	DIVWLWGZGSPVFL-QWHCGFSZSA-N	-1	0	321.377	0.411	20	30		DCEDRM
N#CCCN(CC1CC1)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000831097456	603602986	/nfs/dbraw/zinc/60/29/86/603602986.db2.gz	JRZIQNACVVLEDA-CYBMUJFWSA-N	-1	0	321.381	0.669	20	30		DCEDRM
N#CCOc1cccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1	ZINC000831109818	603666008	/nfs/dbraw/zinc/66/60/08/603666008.db2.gz	VWPOXCHBYKUOOJ-JQWIXIFHSA-N	-1	0	305.290	0.641	20	30		DCEDRM
CN(C(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N)c1nccs1	ZINC000827764729	603723952	/nfs/dbraw/zinc/72/39/52/603723952.db2.gz	HDYFVRLQQBUIIH-SECBINFHSA-N	-1	0	309.351	0.294	20	30		DCEDRM
C[C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)[C@H]1CNC(=O)[O-]	ZINC000825931240	603759086	/nfs/dbraw/zinc/75/90/86/603759086.db2.gz	IKYVXYJCFSSQGM-MNOVXSKESA-N	-1	0	318.399	0.445	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)C1(OC)CCN(C(=O)[O-])CC1	ZINC000823506799	603777461	/nfs/dbraw/zinc/77/74/61/603777461.db2.gz	NAPCAMWUAZRJFM-SNVBAGLBSA-N	-1	0	314.338	0.379	20	30		DCEDRM
Cc1cc(CS(=O)(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)on1	ZINC000830045359	603918445	/nfs/dbraw/zinc/91/84/45/603918445.db2.gz	OAVIYLNTUARCTI-VIFPVBQESA-N	-1	0	314.323	0.001	20	30		DCEDRM
C[C@@H](CC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1)NC(=O)[O-]	ZINC000824709668	603964112	/nfs/dbraw/zinc/96/41/12/603964112.db2.gz	CKGLCHVHXBYNRT-QPUJVOFHSA-N	-1	0	305.290	0.674	20	30		DCEDRM
C[C@H](OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000825552879	604033734	/nfs/dbraw/zinc/03/37/34/604033734.db2.gz	SFNOUBXZEHELCX-HBNTYKKESA-N	-1	0	311.338	0.726	20	30		DCEDRM
C[S@](=O)c1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000829699802	604069362	/nfs/dbraw/zinc/06/93/62/604069362.db2.gz	MVDXZMZXSVBPNM-XFNZEKPQSA-N	-1	0	321.358	0.752	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)NCC2CCN(C(=O)[O-])CC2)n1	ZINC000830984811	604154535	/nfs/dbraw/zinc/15/45/35/604154535.db2.gz	ISCWLBBPIIXWRW-UHFFFAOYSA-N	-1	0	306.326	0.803	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@@H](NC(=O)[O-])C1	ZINC000831117859	604216833	/nfs/dbraw/zinc/21/68/33/604216833.db2.gz	GDTDWPJUANNKNL-SNVBAGLBSA-N	-1	0	324.362	0.442	20	30		DCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000824881013	604241924	/nfs/dbraw/zinc/24/19/24/604241924.db2.gz	RTHNNNCEZKNVSW-CABZTGNLSA-N	-1	0	319.317	0.874	20	30		DCEDRM
CCCCN(C)S(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826829865	604242490	/nfs/dbraw/zinc/24/24/90/604242490.db2.gz	JTRQSQBBFLEMCT-SNVBAGLBSA-N	-1	0	304.372	0.151	20	30		DCEDRM
C[C@@H]1CCCN(S(=O)(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)C1	ZINC000825930976	604243778	/nfs/dbraw/zinc/24/37/78/604243778.db2.gz	DVYCDRAKSRIBSL-MNOVXSKESA-N	-1	0	316.383	0.151	20	30		DCEDRM
CCN(C1CN(C(=O)[O-])C1)S(=O)(=O)c1cccc(C#N)c1	ZINC000826992998	604576287	/nfs/dbraw/zinc/57/62/87/604576287.db2.gz	YXSSSDCOKOXXDC-UHFFFAOYSA-N	-1	0	309.347	0.931	20	30		DCEDRM
C[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)S(C)(=O)=O	ZINC000833410361	604582292	/nfs/dbraw/zinc/58/22/92/604582292.db2.gz	WRSOJOWENLKBDC-QMMMGPOBSA-N	-1	0	311.315	0.733	20	30		DCEDRM
CC(=O)NC[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCO1	ZINC000833397198	604609281	/nfs/dbraw/zinc/60/92/81/604609281.db2.gz	IIQZZVKXNYGVNL-CYBMUJFWSA-N	-1	0	317.345	0.593	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823500679	604614820	/nfs/dbraw/zinc/61/48/20/604614820.db2.gz	JYDWFPQOJXFEIL-QWHCGFSZSA-N	-1	0	311.382	0.544	20	30		DCEDRM
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(O)(C(=O)[O-])CC1	ZINC000833407175	604728382	/nfs/dbraw/zinc/72/83/82/604728382.db2.gz	AGRIIBSCUCQTLT-LLVKDONJSA-N	-1	0	317.345	0.797	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000825687680	604862380	/nfs/dbraw/zinc/86/23/80/604862380.db2.gz	TVFLQHYUCKITIG-UHFFFAOYSA-N	-1	0	324.264	0.693	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2C)CC1	ZINC000184925898	604954911	/nfs/dbraw/zinc/95/49/11/604954911.db2.gz	GEQYTSWSHXOEMK-UHFFFAOYSA-N	-1	0	322.386	0.633	20	30		DCEDRM
CC(C)(C#N)C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC000833406641	604958384	/nfs/dbraw/zinc/95/83/84/604958384.db2.gz	BYRQMHDIOYXLLM-UHFFFAOYSA-N	-1	0	303.322	0.373	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000833370079	605060948	/nfs/dbraw/zinc/06/09/48/605060948.db2.gz	HXRNQLGFYCXALG-SECBINFHSA-N	-1	0	303.336	0.749	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000393802545	605209959	/nfs/dbraw/zinc/20/99/59/605209959.db2.gz	VGMYNUNIFNPXBY-UHFFFAOYSA-N	-1	0	316.310	0.104	20	30		DCEDRM
N#C[C@]1(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CCSC1	ZINC000831075994	605263623	/nfs/dbraw/zinc/26/36/23/605263623.db2.gz	FQTUBWPCNLSGEK-GXFFZTMASA-N	-1	0	313.379	0.661	20	30		DCEDRM
N#C[C@@H](C(=O)C[C@@H]1CSCCN1C(=O)[O-])C(=O)NC1CC1	ZINC000831065054	605347306	/nfs/dbraw/zinc/34/73/06/605347306.db2.gz	OFEOYQFVDLKZJT-ZJUUUORDSA-N	-1	0	311.363	0.459	20	30		DCEDRM
N#CCC[C@H](NC(=O)CNC(=O)CNC(=O)[O-])c1ccccc1	ZINC000833967780	605373604	/nfs/dbraw/zinc/37/36/04/605373604.db2.gz	GXZAUUPDEIQTEX-LBPRGKRZSA-N	-1	0	318.333	0.531	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC000833365983	605418162	/nfs/dbraw/zinc/41/81/62/605418162.db2.gz	ALICQIBOQCGKGX-YVMONPNESA-N	-1	0	309.343	0.713	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC000833366537	605470705	/nfs/dbraw/zinc/47/07/05/605470705.db2.gz	BZCXZDVGSHNMGU-UHFFFAOYSA-N	-1	0	312.372	0.867	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000833366404	605499309	/nfs/dbraw/zinc/49/93/09/605499309.db2.gz	VQJKCSCVOBMRAA-UHFFFAOYSA-N	-1	0	318.329	0.408	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)OCC	ZINC000833367440	605541582	/nfs/dbraw/zinc/54/15/82/605541582.db2.gz	LHQJKYIYTKUVNS-LBPRGKRZSA-N	-1	0	308.338	0.731	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])cn1	ZINC000833368752	605645937	/nfs/dbraw/zinc/64/59/37/605645937.db2.gz	SVLGYBNEZUCTSS-ZWNOBZJWSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833374410	605649637	/nfs/dbraw/zinc/64/96/37/605649637.db2.gz	ZQTSAKBNEQDBEJ-IJLUTSLNSA-N	-1	0	313.350	0.832	20	30		DCEDRM
C#CCSCCNC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823466458	605657874	/nfs/dbraw/zinc/65/78/74/605657874.db2.gz	AWXGWELHESCQCN-SNVBAGLBSA-N	-1	0	302.421	0.955	20	30		DCEDRM
Cc1onc(CC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c1C#N	ZINC000833936595	605697718	/nfs/dbraw/zinc/69/77/18/605697718.db2.gz	NBXSDBIYTCMKQG-MWLCHTKSSA-N	-1	0	306.322	0.950	20	30		DCEDRM
N#Cc1ccc(C(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000833975365	605722685	/nfs/dbraw/zinc/72/26/85/605722685.db2.gz	WVTBTFFYVGYOTI-NEPJUHHUSA-N	-1	0	318.285	0.397	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2cccc3c2CCN3C(=O)[O-])n1	ZINC000831161728	605775241	/nfs/dbraw/zinc/77/52/41/605775241.db2.gz	KFGWPCBGXKTQPI-UHFFFAOYSA-N	-1	0	312.289	0.829	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823455190	605824814	/nfs/dbraw/zinc/82/48/14/605824814.db2.gz	AODPUHRSIVDTQL-VHSXEESVSA-N	-1	0	314.363	0.153	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCC[C@H](NC(=O)[O-])C2)cc1	ZINC000833972885	605835366	/nfs/dbraw/zinc/83/53/66/605835366.db2.gz	IFJISHARLYVNGP-STQMWFEESA-N	-1	0	303.318	0.850	20	30		DCEDRM
O=C([O-])N[C@@H]1CCCC1=NNC(=S)NC[C@@H]1CCCO1	ZINC000834167959	605857197	/nfs/dbraw/zinc/85/71/97/605857197.db2.gz	FKMZFCWNFMCRBZ-DTWKUNHWSA-N	-1	0	300.384	0.806	20	30		DCEDRM
N#CCN1CCC(NC(=O)[C@H](CC(F)F)NC(=O)[O-])CC1	ZINC000833968071	606041690	/nfs/dbraw/zinc/04/16/90/606041690.db2.gz	WPHHMMARILPQSW-VIFPVBQESA-N	-1	0	304.297	0.382	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CSCCS2)[n-]c1-c1nn[nH]n1	ZINC000822814253	606197206	/nfs/dbraw/zinc/19/72/06/606197206.db2.gz	DGBUFGJYYABPQL-LURJTMIESA-N	-1	0	322.379	0.249	20	30		DCEDRM
Cc1nnc(NN=Cc2cc(-c3nn[nH]n3)cs2)[n-]c1=O	ZINC000822515147	606204528	/nfs/dbraw/zinc/20/45/28/606204528.db2.gz	LFRRCHDVEHCDJV-UHFFFAOYSA-N	-1	0	303.311	0.573	20	30		DCEDRM
CSc1[nH]c(=O)c(C(=O)NC[C@H](C)C#N)cc1-c1nnn[n-]1	ZINC000821978260	606289262	/nfs/dbraw/zinc/28/92/62/606289262.db2.gz	KQSSPGWOLXOJMW-ZCFIWIBFSA-N	-1	0	319.350	0.579	20	30		DCEDRM
C#Cc1cccc(N(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)c1	ZINC000819709846	607213800	/nfs/dbraw/zinc/21/38/00/607213800.db2.gz	RJSILCXIUVAKBL-UHFFFAOYSA-N	-1	0	308.305	0.103	20	30		DCEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1	ZINC000820691811	607217359	/nfs/dbraw/zinc/21/73/59/607217359.db2.gz	ZOFQHBUXNBICPC-ZANVPECISA-N	-1	0	315.341	0.047	20	30		DCEDRM
CCc1nn(C)cc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000825763293	608200299	/nfs/dbraw/zinc/20/02/99/608200299.db2.gz	SCQTTYZQQXFBEP-UHFFFAOYSA-N	-1	0	312.297	0.010	20	30		DCEDRM
CCOc1cccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)n1	ZINC000825648880	609487721	/nfs/dbraw/zinc/48/77/21/609487721.db2.gz	FPOMZAHHHKHIJK-UHFFFAOYSA-N	-1	0	311.309	0.359	20	30		DCEDRM
Cn1ncc(C(=O)[N-]S(=O)(=O)N2CCCC2)c1-n1cccc1	ZINC000052772786	657962220	/nfs/dbraw/zinc/96/22/20/657962220.db2.gz	GGVXIJZJJNNXTK-UHFFFAOYSA-N	-1	0	323.378	0.856	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H]3CN(CC#N)CC[C@H]32)c1[O-]	ZINC001021567589	658036031	/nfs/dbraw/zinc/03/60/31/658036031.db2.gz	VXQCBEWFCQHKSQ-VXGBXAGGSA-N	-1	0	303.366	0.874	20	30		DCEDRM
CON(C)S(=O)(=O)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000048480212	658048561	/nfs/dbraw/zinc/04/85/61/658048561.db2.gz	XWLBQJXQHMEQPG-UHFFFAOYSA-N	-1	0	322.364	0.133	20	30		DCEDRM
C#CCCS(=O)(=O)N1CCN(C(=O)c2ccccc2O)CC1	ZINC000288337883	658550508	/nfs/dbraw/zinc/55/05/08/658550508.db2.gz	MDNBUUMPUOLSPU-UHFFFAOYSA-N	-1	0	322.386	0.503	20	30		DCEDRM
Cn1cc(/C=C\C(=O)c2ccc(F)cc2[O-])c(=O)n(C)c1=O	ZINC000255539173	658666449	/nfs/dbraw/zinc/66/64/49/658666449.db2.gz	KNQWCIWUUKEJSG-UTCJRWHESA-N	-1	0	304.277	0.825	20	30		DCEDRM
C=C1CC(C)(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1	ZINC000999235686	665606075	/nfs/dbraw/zinc/60/60/75/665606075.db2.gz	UIDKEZNGJISWDJ-UHFFFAOYSA-N	-1	0	304.350	0.721	20	30		DCEDRM
C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-]	ZINC000976357139	659306193	/nfs/dbraw/zinc/30/61/93/659306193.db2.gz	YOSNEDHVIPOKNF-URLYPYJESA-N	-1	0	318.377	0.823	20	30		DCEDRM
CC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)n(C)c1	ZINC000048648051	661954292	/nfs/dbraw/zinc/95/42/92/661954292.db2.gz	XFTUDRSPZSEKBA-UHFFFAOYSA-N	-1	0	310.335	0.655	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1noc2ccccc21	ZINC000729890829	662911988	/nfs/dbraw/zinc/91/19/88/662911988.db2.gz	QSBAUWMIQVVYCK-UHFFFAOYSA-N	-1	0	310.331	0.976	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1	ZINC000729898269	662912028	/nfs/dbraw/zinc/91/20/28/662912028.db2.gz	JYYQQOPJRURNEE-UHFFFAOYSA-N	-1	0	310.375	0.608	20	30		DCEDRM
C[C@]1(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C=CCC1	ZINC000899552432	663152409	/nfs/dbraw/zinc/15/24/09/663152409.db2.gz	YYGMLCIFPMHOOI-HNNXBMFYSA-N	-1	0	300.318	0.560	20	30		DCEDRM
Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3c(C#N)cnn3C)C2)cn1	ZINC000900966429	663298289	/nfs/dbraw/zinc/29/82/89/663298289.db2.gz	USAJZESSNOXYOO-WDEREUQCSA-N	-1	0	314.349	0.720	20	30		DCEDRM
Cn1cc(C(=O)[O-])cc1C=NNC(=S)NC[C@H]1CCCO1	ZINC000901139368	663324661	/nfs/dbraw/zinc/32/46/61/663324661.db2.gz	PJSLAUXJTPUDRR-LLVKDONJSA-N	-1	0	310.379	0.700	20	30		DCEDRM
C=CCC1(NC(=O)c2cccn(CC(=O)[O-])c2=O)CCOCC1	ZINC000902063147	663383373	/nfs/dbraw/zinc/38/33/73/663383373.db2.gz	ZINBUSYCWVIHEH-UHFFFAOYSA-N	-1	0	320.345	0.788	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)CSCC(=O)[O-])CC2)cn1	ZINC000902627067	663423448	/nfs/dbraw/zinc/42/34/48/663423448.db2.gz	ARSPCYQSKSROCT-UHFFFAOYSA-N	-1	0	320.374	0.420	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)NCCN1CCSCC1)C(=O)[O-]	ZINC000908836423	663771292	/nfs/dbraw/zinc/77/12/92/663771292.db2.gz	KGBNAYCVILSWPC-JTQLQIEISA-N	-1	0	321.830	0.930	20	30		DCEDRM
C#CCSCCNC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000909051713	663779888	/nfs/dbraw/zinc/77/98/88/663779888.db2.gz	FKRRSTKMDSJUQI-NWDGAFQWSA-N	-1	0	314.407	0.922	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NC1CCC(OC)CC1)C(=O)[O-]	ZINC000909068241	663780466	/nfs/dbraw/zinc/78/04/66/663780466.db2.gz	VXXOVBJHISEULA-HTAVTVPLSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=CCCOCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909117836	663781653	/nfs/dbraw/zinc/78/16/53/663781653.db2.gz	SXPQBLSHDPMSKR-NEPJUHHUSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=CCCOCCNC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000909118010	663781669	/nfs/dbraw/zinc/78/16/69/663781669.db2.gz	UIDZKXOPNXBDQM-RYUDHWBXSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCC[C@H](NC(=O)[C@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC000909714780	663796381	/nfs/dbraw/zinc/79/63/81/663796381.db2.gz	IDZTVRCPLABZQK-VHSXEESVSA-N	-1	0	306.309	0.488	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CC1CCN(OC)CC1)C(=O)[O-]	ZINC000909770034	663800200	/nfs/dbraw/zinc/80/02/00/663800200.db2.gz	DNVOIMVOFHMHFI-GFCCVEGCSA-N	-1	0	300.355	0.422	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cn2c(n1)C[C@H](C)CC2)C(=O)[O-]	ZINC000909769485	663800532	/nfs/dbraw/zinc/80/05/32/663800532.db2.gz	ZDWFEYHOYOVASJ-PWSUYJOCSA-N	-1	0	307.350	0.851	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2	ZINC000909794095	663806380	/nfs/dbraw/zinc/80/63/80/663806380.db2.gz	OYURUSWLSHKFDE-YGRLFVJLSA-N	-1	0	303.314	0.902	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)C(=O)[O-]	ZINC000910051987	663836938	/nfs/dbraw/zinc/83/69/38/663836938.db2.gz	KNKQIACQEGYBBM-SNVBAGLBSA-N	-1	0	322.752	0.937	20	30		DCEDRM
C#CC[C@@H](NC(=O)C1CCN(C(=O)N2CCCC2)CC1)C(=O)[O-]	ZINC000910052248	663837331	/nfs/dbraw/zinc/83/73/31/663837331.db2.gz	QEIJMJCPFGNVJR-CYBMUJFWSA-N	-1	0	321.377	0.507	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-]	ZINC000910053103	663837466	/nfs/dbraw/zinc/83/74/66/663837466.db2.gz	BDPGEDICOUKLNI-LLVKDONJSA-N	-1	0	304.277	0.917	20	30		DCEDRM
C#CC[C@@H](NC(=O)CN1C(=O)COc2ccccc21)C(=O)[O-]	ZINC000910052040	663837498	/nfs/dbraw/zinc/83/74/98/663837498.db2.gz	LWLXVXOYLBVIAO-SNVBAGLBSA-N	-1	0	302.286	0.005	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC000910266801	663861844	/nfs/dbraw/zinc/86/18/44/663861844.db2.gz	OWJXOLUMMKJFCN-VHSXEESVSA-N	-1	0	312.757	0.861	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1CCO[C@](C)(C(=O)[O-])C1	ZINC000910325976	663873849	/nfs/dbraw/zinc/87/38/49/663873849.db2.gz	GQDVXRDCQNFRFK-HNNXBMFYSA-N	-1	0	306.318	0.962	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])OCC	ZINC000910760008	663934519	/nfs/dbraw/zinc/93/45/19/663934519.db2.gz	NXZIQDXGLHRGHL-NEPJUHHUSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1	ZINC000911641416	664091039	/nfs/dbraw/zinc/09/10/39/664091039.db2.gz	UWTMREGUWCIWLG-ZIAGYGMSSA-N	-1	0	303.314	0.749	20	30		DCEDRM
C#C[C@@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)C1CCOCC1	ZINC000911788247	664109544	/nfs/dbraw/zinc/10/95/44/664109544.db2.gz	CAMZMLWKUPKAKP-CYBMUJFWSA-N	-1	0	319.361	0.906	20	30		DCEDRM
C[NH+](C)CC#CCNC(=O)CSc1n[n-]c(=S)s1	ZINC000913519178	664337485	/nfs/dbraw/zinc/33/74/85/664337485.db2.gz	QYPYYIXWKJANIK-UHFFFAOYSA-N	-1	0	302.450	0.600	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1	ZINC000913559038	664637788	/nfs/dbraw/zinc/63/77/88/664637788.db2.gz	CMWNGVJSRKCNCY-YPMHNXCESA-N	-1	0	314.345	0.949	20	30		DCEDRM
N#Cc1cccc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC000730525709	664785187	/nfs/dbraw/zinc/78/51/87/664785187.db2.gz	HLPKALMVULLSDB-UHFFFAOYSA-N	-1	0	308.301	0.259	20	30		DCEDRM
C=CCOc1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1	ZINC000731855159	664886329	/nfs/dbraw/zinc/88/63/29/664886329.db2.gz	UEDIJSFBFIFZKC-CYBMUJFWSA-N	-1	0	315.333	0.978	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2COCCO2)n1	ZINC000915414961	664898414	/nfs/dbraw/zinc/89/84/14/664898414.db2.gz	IRHIHSIYUZXCKR-KOLCDFICSA-N	-1	0	310.331	0.586	20	30		DCEDRM
CCOCCS(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000732511255	664940712	/nfs/dbraw/zinc/94/07/12/664940712.db2.gz	WQEHLHPUVCDSES-UHFFFAOYSA-N	-1	0	312.347	0.420	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)nc1	ZINC000916868603	665097921	/nfs/dbraw/zinc/09/79/21/665097921.db2.gz	OSTIYXPNHRFNPW-GFCCVEGCSA-N	-1	0	305.334	0.955	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(NC(N)=O)cc1	ZINC000916892752	665099416	/nfs/dbraw/zinc/09/94/16/665099416.db2.gz	PDYMPAUNGLPFCU-LLVKDONJSA-N	-1	0	304.306	0.262	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)s1	ZINC000916890896	665099475	/nfs/dbraw/zinc/09/94/75/665099475.db2.gz	NFAODGCVEOCCTB-QMMMGPOBSA-N	-1	0	310.331	0.620	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(Cn2cncn2)cc1	ZINC000916917336	665100964	/nfs/dbraw/zinc/10/09/64/665100964.db2.gz	ITPPAEALYCZQEU-CQSZACIVSA-N	-1	0	309.329	0.951	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1csnc1Cl	ZINC000861396199	666925046	/nfs/dbraw/zinc/92/50/46/666925046.db2.gz	UHRVLFDVTZRQJJ-UHFFFAOYSA-N	-1	0	311.797	0.858	20	30		DCEDRM
N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)c2ccccn2)c1	ZINC000734964274	666928699	/nfs/dbraw/zinc/92/86/99/666928699.db2.gz	QEBXELVGTGCPDY-UHFFFAOYSA-N	-1	0	317.326	0.837	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(OCC#N)cc1	ZINC000788067566	666940414	/nfs/dbraw/zinc/94/04/14/666940414.db2.gz	GZISLKAOAGTKSR-UHFFFAOYSA-N	-1	0	306.343	0.601	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)c1cc(C#N)ccc1C)C(=O)[O-]	ZINC000863410778	667140563	/nfs/dbraw/zinc/14/05/63/667140563.db2.gz	KUAHGIHECCWBRB-NSHDSACASA-N	-1	0	310.331	0.577	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)[O-]	ZINC000863419742	667141731	/nfs/dbraw/zinc/14/17/31/667141731.db2.gz	GAVHZSIGPXRWBO-MRVPVSSYSA-N	-1	0	307.759	0.603	20	30		DCEDRM
N#Cc1cc2c([n-]c1=O)CCN(C(=S)NC[C@@H]1CCOC1)C2	ZINC000865250794	667315975	/nfs/dbraw/zinc/31/59/75/667315975.db2.gz	JSGQFRKHMJKDRR-JTQLQIEISA-N	-1	0	318.402	0.928	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ncc2n1CCCC2	ZINC000870134648	667712545	/nfs/dbraw/zinc/71/25/45/667712545.db2.gz	RKPCZSGDESIUQZ-LBPRGKRZSA-N	-1	0	304.350	0.695	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(-n2cccc2)c1	ZINC000870137919	667713372	/nfs/dbraw/zinc/71/33/72/667713372.db2.gz	FGOUZTAZESPAEH-CYBMUJFWSA-N	-1	0	312.329	0.957	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1	ZINC000838918274	667717716	/nfs/dbraw/zinc/71/77/16/667717716.db2.gz	VUWJSKGYLHWODI-VIFPVBQESA-N	-1	0	324.362	0.744	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000839015793	667726522	/nfs/dbraw/zinc/72/65/22/667726522.db2.gz	UJSOUVASJSNPJI-VIFPVBQESA-N	-1	0	301.368	0.515	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C	ZINC000870330218	667731893	/nfs/dbraw/zinc/73/18/93/667731893.db2.gz	RLNIJNUFHNGKCM-YGRLFVJLSA-N	-1	0	315.391	0.824	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)C(=O)OC	ZINC000841540189	667732104	/nfs/dbraw/zinc/73/21/04/667732104.db2.gz	JRJOVBVHNWJHMA-LBPRGKRZSA-N	-1	0	317.313	0.949	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@]2(CC)CCNC2=O)CC1	ZINC000870369822	667734910	/nfs/dbraw/zinc/73/49/10/667734910.db2.gz	PHDBVKPOYICTBK-CYBMUJFWSA-N	-1	0	300.380	0.457	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](OCC)[C@@H]2CCOC2)CC1	ZINC000870839750	667765348	/nfs/dbraw/zinc/76/53/48/667765348.db2.gz	VEPLAAGYAMAHIW-GHMZBOCLSA-N	-1	0	303.380	0.593	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2ncn(C)c2Cl)n1	ZINC000123401444	667777595	/nfs/dbraw/zinc/77/75/95/667777595.db2.gz	LKMWGSZABCYDMN-UHFFFAOYSA-N	-1	0	300.731	0.479	20	30		DCEDRM
COC[C@](C)(O)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000745321109	667844686	/nfs/dbraw/zinc/84/46/86/667844686.db2.gz	IOPKZEQFJJJWRX-ZANVPECISA-N	-1	0	312.347	0.568	20	30		DCEDRM
C#CCOC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1	ZINC000745539142	667849746	/nfs/dbraw/zinc/84/97/46/667849746.db2.gz	PZSNPSDUOVDYAW-UHFFFAOYSA-N	-1	0	313.331	0.865	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000871973278	667861023	/nfs/dbraw/zinc/86/10/23/667861023.db2.gz	RCTFLHJEDNUDQW-LLVKDONJSA-N	-1	0	309.343	0.716	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CCO[C@](C)(C#N)C2)cc1=O	ZINC000887695978	667902600	/nfs/dbraw/zinc/90/26/00/667902600.db2.gz	KKICVOOAZJMCCJ-OAHLLOKOSA-N	-1	0	306.366	0.516	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1	ZINC000747752505	667911530	/nfs/dbraw/zinc/91/15/30/667911530.db2.gz	XAOXYFQETRPMBC-UHFFFAOYSA-N	-1	0	324.358	0.005	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000750763723	667987254	/nfs/dbraw/zinc/98/72/54/667987254.db2.gz	OEKMNSWXPBBWCN-UHFFFAOYSA-N	-1	0	316.320	0.051	20	30		DCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)CCOC1	ZINC000755845463	668067766	/nfs/dbraw/zinc/06/77/66/668067766.db2.gz	SKDUDUAIKYUHMF-LBPRGKRZSA-N	-1	0	300.380	0.943	20	30		DCEDRM
Cn1ncc2c1ncn(N=Cc1cc([N+](=O)[O-])ccc1[O-])c2=O	ZINC000874193672	668157414	/nfs/dbraw/zinc/15/74/14/668157414.db2.gz	FRIJCTCHMPQKOF-UHFFFAOYSA-N	-1	0	314.261	0.626	20	30		DCEDRM
COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000758522400	668181685	/nfs/dbraw/zinc/18/16/85/668181685.db2.gz	QWOVGMBPJPAPGO-JTQLQIEISA-N	-1	0	324.358	0.703	20	30		DCEDRM
COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000758522401	668181976	/nfs/dbraw/zinc/18/19/76/668181976.db2.gz	QWOVGMBPJPAPGO-SNVBAGLBSA-N	-1	0	324.358	0.703	20	30		DCEDRM
N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000758556220	668183098	/nfs/dbraw/zinc/18/30/98/668183098.db2.gz	CCTLJIFWOGNRJI-UHFFFAOYSA-N	-1	0	318.314	0.498	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC	ZINC000759481822	668221539	/nfs/dbraw/zinc/22/15/39/668221539.db2.gz	MMSQGAFLNRRBGQ-LLVKDONJSA-N	-1	0	316.379	0.178	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@]23CCOC3)c1	ZINC000764759401	668461597	/nfs/dbraw/zinc/46/15/97/668461597.db2.gz	DLKKVCGQXDIIQE-HIFRSBDPSA-N	-1	0	320.370	0.931	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1csc(S(C)(=O)=O)c1	ZINC000766622392	668540354	/nfs/dbraw/zinc/54/03/54/668540354.db2.gz	HIRPXFVJQFXRNN-SECBINFHSA-N	-1	0	314.388	0.999	20	30		DCEDRM
O=C([O-])Cn1cc(C=NNC(=S)Nc2cccnc2)nn1	ZINC000768476193	668611408	/nfs/dbraw/zinc/61/14/08/668611408.db2.gz	IXOAOYZKXSSLHJ-UHFFFAOYSA-N	-1	0	305.323	0.078	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)NCCO[C@@H]1CCOC1)C(=O)[O-]	ZINC000929017355	668645107	/nfs/dbraw/zinc/64/51/07/668645107.db2.gz	QSOKWLPAXKFWBC-VXGBXAGGSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CC[C@H](C2CC2)O1)C(=O)[O-]	ZINC000929024068	668646284	/nfs/dbraw/zinc/64/62/84/668646284.db2.gz	IQVYYKDVQASTCE-FRRDWIJNSA-N	-1	0	312.366	0.899	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)CSCC#N)nc1C	ZINC000770200268	668683288	/nfs/dbraw/zinc/68/32/88/668683288.db2.gz	FHYWTDURGOFSTK-UHFFFAOYSA-N	-1	0	302.381	0.273	20	30		DCEDRM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000771525016	668742343	/nfs/dbraw/zinc/74/23/43/668742343.db2.gz	MKHACTBPXCXNEO-ZJUUUORDSA-N	-1	0	324.358	0.815	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC000772710606	668782068	/nfs/dbraw/zinc/78/20/68/668782068.db2.gz	PNEFLKWOVIXHIS-NKWVEPMBSA-N	-1	0	314.285	0.076	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)c(C)c1	ZINC000772717196	668782360	/nfs/dbraw/zinc/78/23/60/668782360.db2.gz	FPEDDCURFAODTJ-UHFFFAOYSA-N	-1	0	307.335	0.216	20	30		DCEDRM
CN(C)c1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)ccn1	ZINC000774291316	668829496	/nfs/dbraw/zinc/82/94/96/668829496.db2.gz	GZWWPPHJYPKRJX-UHFFFAOYSA-N	-1	0	310.379	0.757	20	30		DCEDRM
Cc1cc2ncc(C(=O)[N-]S(=O)(=O)CCCC#N)c(C)n2n1	ZINC000776116332	668871068	/nfs/dbraw/zinc/87/10/68/668871068.db2.gz	OQNDFFBRZYRGKP-UHFFFAOYSA-N	-1	0	321.362	0.710	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000776122165	668871223	/nfs/dbraw/zinc/87/12/23/668871223.db2.gz	ZZTGXXKMXMQRGQ-UHFFFAOYSA-N	-1	0	323.330	0.381	20	30		DCEDRM
Cc1cc(C)n(CCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1	ZINC000776139534	668871600	/nfs/dbraw/zinc/87/16/00/668871600.db2.gz	XNWFKMNHNICUDH-UHFFFAOYSA-N	-1	0	312.395	0.886	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)NCC[C@H](C)C(=O)[O-]	ZINC000776588557	668878637	/nfs/dbraw/zinc/87/86/37/668878637.db2.gz	HNPVNJLNOJLQIA-VIFPVBQESA-N	-1	0	312.347	0.956	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(-c2cccc(Cl)c2)n1	ZINC000777304606	668886271	/nfs/dbraw/zinc/88/62/71/668886271.db2.gz	WDVHYQBNDPLVOO-SNVBAGLBSA-N	-1	0	303.709	0.989	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC000777907212	668892686	/nfs/dbraw/zinc/89/26/86/668892686.db2.gz	LYTVEUUEXRMVBR-GFCCVEGCSA-N	-1	0	313.379	0.991	20	30		DCEDRM
COc1cc(C=NN2CCCNC2=O)ccc1OCC(=O)[O-]	ZINC000777896943	668892745	/nfs/dbraw/zinc/89/27/45/668892745.db2.gz	GZZUGNOBGGSHRY-UHFFFAOYSA-N	-1	0	307.306	0.908	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)CN1CCOCC1	ZINC000778644640	668902223	/nfs/dbraw/zinc/90/22/23/668902223.db2.gz	FJSQPAIJAUZRAF-UHFFFAOYSA-N	-1	0	323.374	0.004	20	30		DCEDRM
COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779321894	668909877	/nfs/dbraw/zinc/90/98/77/668909877.db2.gz	VDZLZHAPDAZRPU-SNVBAGLBSA-N	-1	0	316.379	0.716	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccnc(-n2ccnc2)c1	ZINC000127482682	668978486	/nfs/dbraw/zinc/97/84/86/668978486.db2.gz	GEEDWCYFYADJEJ-UHFFFAOYSA-N	-1	0	319.346	0.631	20	30		DCEDRM
CCC[C@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)c1nnn[n-]1	ZINC000780958616	669022591	/nfs/dbraw/zinc/02/25/91/669022591.db2.gz	FNZAFCGELPYEMC-RYUDHWBXSA-N	-1	0	300.322	0.762	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)s1	ZINC000781513161	669048269	/nfs/dbraw/zinc/04/82/69/669048269.db2.gz	OTERQKCUDVWMGK-MRVPVSSYSA-N	-1	0	300.361	0.858	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)[N-]S(=O)(=O)c1cnnn1C	ZINC000781728381	669058496	/nfs/dbraw/zinc/05/84/96/669058496.db2.gz	GXQGKJPUTAGEKY-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1	ZINC000782705970	669117488	/nfs/dbraw/zinc/11/74/88/669117488.db2.gz	VAEJIJWLODCLMM-UHFFFAOYSA-N	-1	0	315.395	0.937	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@]2(C#N)CCSC2)cc1=O	ZINC000931299748	669175519	/nfs/dbraw/zinc/17/55/19/669175519.db2.gz	VVNDMQBHLGJKBF-AWEZNQCLSA-N	-1	0	308.407	0.890	20	30		DCEDRM
C[C@]1(C(=O)OCc2cc(=O)n3[n-]cc(C#N)c3n2)CCOC1	ZINC000784696605	669217699	/nfs/dbraw/zinc/21/76/99/669217699.db2.gz	YOJXKFGZBWXHTP-AWEZNQCLSA-N	-1	0	302.290	0.776	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000786480391	669314925	/nfs/dbraw/zinc/31/49/25/669314925.db2.gz	QJONUAAHZPFKMZ-GHMZBOCLSA-N	-1	0	300.380	0.963	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000787935488	669413234	/nfs/dbraw/zinc/41/32/34/669413234.db2.gz	WBSLKEOSRQMCLR-SECBINFHSA-N	-1	0	320.367	0.395	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc1	ZINC000789792091	669510136	/nfs/dbraw/zinc/51/01/36/669510136.db2.gz	WDGXYPRRFRCRDO-UHFFFAOYSA-N	-1	0	305.315	0.540	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2)c1	ZINC000791110957	669594186	/nfs/dbraw/zinc/59/41/86/669594186.db2.gz	IKCXIWSXSZTXMA-UHFFFAOYSA-N	-1	0	303.343	0.955	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)CC2OCCCO2)c1	ZINC000793118563	669702197	/nfs/dbraw/zinc/70/21/97/669702197.db2.gz	SVECDUNCAGZIAW-UHFFFAOYSA-N	-1	0	310.331	0.516	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cccc(-c2nc[nH]n2)c1	ZINC000793188451	669706253	/nfs/dbraw/zinc/70/62/53/669706253.db2.gz	BAIDUQKXTZLPSE-UHFFFAOYSA-N	-1	0	319.346	0.835	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCOC[C@@H]2CCCO2)CC1	ZINC000793201553	669707341	/nfs/dbraw/zinc/70/73/41/669707341.db2.gz	MCNOJYSJGURJKD-NSHDSACASA-N	-1	0	316.379	0.322	20	30		DCEDRM
C[C@@H](OC(=O)c1cccc2n[nH]nc21)C(=O)N(C)CCC#N	ZINC000800207578	669838308	/nfs/dbraw/zinc/83/83/08/669838308.db2.gz	BHZHWVJRTPROAU-SECBINFHSA-N	-1	0	301.306	0.875	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1	ZINC000794905426	669866745	/nfs/dbraw/zinc/86/67/45/669866745.db2.gz	DKYAHVZJMRXZJW-LBPRGKRZSA-N	-1	0	324.358	0.617	20	30		DCEDRM
C[C@@H]1COC(=O)C1=N[N-]c1ccc(S(=O)(=O)NC2CC2)cn1	ZINC000794891356	669867040	/nfs/dbraw/zinc/86/70/40/669867040.db2.gz	MUWIMOBJNNAMPC-MRVPVSSYSA-N	-1	0	324.362	0.483	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)Cn1cc(Br)ccc1=O	ZINC000048486796	669939616	/nfs/dbraw/zinc/93/96/16/669939616.db2.gz	SXJGSKNBZUGJEM-UHFFFAOYSA-N	-1	0	309.141	0.527	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cn(C(C)C)nn1	ZINC000796743679	669941440	/nfs/dbraw/zinc/94/14/40/669941440.db2.gz	YTZDYNOERODSSE-NSHDSACASA-N	-1	0	307.354	0.724	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2cnccn2)CCCC1	ZINC000796825383	669944022	/nfs/dbraw/zinc/94/40/22/669944022.db2.gz	ZMXZSABIRWNLMB-UHFFFAOYSA-N	-1	0	322.390	0.939	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CC2OCCO2)c1	ZINC000796931258	669949824	/nfs/dbraw/zinc/94/98/24/669949824.db2.gz	CYQQPAQONQKYTE-UHFFFAOYSA-N	-1	0	310.331	0.267	20	30		DCEDRM
Cc1c(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cnn1C	ZINC000797047096	669954498	/nfs/dbraw/zinc/95/44/98/669954498.db2.gz	AMNROLWNHCRDAT-UHFFFAOYSA-N	-1	0	324.406	0.801	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC	ZINC000797295255	669963877	/nfs/dbraw/zinc/96/38/77/669963877.db2.gz	SUMCZVRTXHTGDY-CABZTGNLSA-N	-1	0	307.368	0.223	20	30		DCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000797287054	669962855	/nfs/dbraw/zinc/96/28/55/669962855.db2.gz	YRTPLYQLQGBLHT-SECBINFHSA-N	-1	0	310.331	0.488	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@H](COC)c1ccco1)C(=O)[O-]	ZINC000797721573	669973534	/nfs/dbraw/zinc/97/35/34/669973534.db2.gz	BKVXOEJSZJWPSE-GHMZBOCLSA-N	-1	0	312.322	0.922	20	30		DCEDRM
N#CC1(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CCCCC1	ZINC000798148802	669989010	/nfs/dbraw/zinc/98/90/10/669989010.db2.gz	RXZCNDPXFZTRQQ-UHFFFAOYSA-N	-1	0	304.354	0.484	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc2c1O[C@@H](C)C(=O)N2	ZINC000798203064	669991931	/nfs/dbraw/zinc/99/19/31/669991931.db2.gz	RSMNRWNQEKGNHE-VIFPVBQESA-N	-1	0	322.342	0.489	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc2c1O[C@@H](C)C(=O)N2	ZINC000798202696	669992199	/nfs/dbraw/zinc/99/21/99/669992199.db2.gz	KHZDIUJLMGUZDZ-VIFPVBQESA-N	-1	0	322.342	0.489	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CCc1scnc1C	ZINC000803023042	670234031	/nfs/dbraw/zinc/23/40/31/670234031.db2.gz	JCNOJFDFZJYCEZ-UHFFFAOYSA-N	-1	0	316.404	0.480	20	30		DCEDRM
COCCCO[N-]C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000807435424	670361394	/nfs/dbraw/zinc/36/13/94/670361394.db2.gz	LHUMBRCXHGECBA-UHFFFAOYSA-N	-1	0	307.306	0.612	20	30		DCEDRM
C=C(CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccc1	ZINC000807797714	670376109	/nfs/dbraw/zinc/37/61/09/670376109.db2.gz	JRDRHXQWWPCQML-UHFFFAOYSA-N	-1	0	309.329	0.901	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cn2cc(Cl)cn2)CC1	ZINC000808998961	670434928	/nfs/dbraw/zinc/43/49/28/670434928.db2.gz	XVYGJBQXUGIRQP-UHFFFAOYSA-N	-1	0	302.743	0.286	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000810662694	670492914	/nfs/dbraw/zinc/49/29/14/670492914.db2.gz	NUEYPUBXYDKTBE-AWEZNQCLSA-N	-1	0	307.371	0.835	20	30		DCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCOCC1	ZINC000810668776	670493353	/nfs/dbraw/zinc/49/33/53/670493353.db2.gz	AHYFBMVUQBEKLA-UHFFFAOYSA-N	-1	0	316.379	0.179	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cccc(OCC#N)c1	ZINC000810773963	670496992	/nfs/dbraw/zinc/49/69/92/670496992.db2.gz	QUQRIWZQJAVBJR-UHFFFAOYSA-N	-1	0	306.343	0.601	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OCC)cc1	ZINC000810782007	670497653	/nfs/dbraw/zinc/49/76/53/670497653.db2.gz	FPJAUAQLZVCYPX-UHFFFAOYSA-N	-1	0	309.343	0.946	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1)n1cccn1	ZINC000810782930	670497760	/nfs/dbraw/zinc/49/77/60/670497760.db2.gz	XIAIGDFMLFYVJR-CQSZACIVSA-N	-1	0	317.370	0.942	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)s1	ZINC000810781534	670497801	/nfs/dbraw/zinc/49/78/01/670497801.db2.gz	DNTRSJOMBPIWKI-UHFFFAOYSA-N	-1	0	301.345	0.618	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc2ccccc2oc1=O	ZINC000810782637	670497809	/nfs/dbraw/zinc/49/78/09/670497809.db2.gz	QQODLASNWYZSOK-UHFFFAOYSA-N	-1	0	305.311	0.876	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](CCCC)NC(=O)NCC	ZINC000810785577	670498071	/nfs/dbraw/zinc/49/80/71/670498071.db2.gz	MGGWOOXNMIRPRX-LLVKDONJSA-N	-1	0	317.411	0.334	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000810986545	670502152	/nfs/dbraw/zinc/50/21/52/670502152.db2.gz	DEJDKPZBLCEVEA-UHFFFAOYSA-N	-1	0	314.323	0.346	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000854233813	670536834	/nfs/dbraw/zinc/53/68/34/670536834.db2.gz	MLWREIHZFOLXLX-NSHDSACASA-N	-1	0	318.395	0.387	20	30		DCEDRM
CCOC[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000812449603	670582606	/nfs/dbraw/zinc/58/26/06/670582606.db2.gz	RPIZLCTUOCQKDF-SNVBAGLBSA-N	-1	0	316.310	0.465	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847847698	670606284	/nfs/dbraw/zinc/60/62/84/670606284.db2.gz	QRCUOWGWNVVNRA-UHFFFAOYSA-N	-1	0	308.319	0.453	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000847893903	670610669	/nfs/dbraw/zinc/61/06/69/670610669.db2.gz	ZNJOMKBQTSJAGO-UHFFFAOYSA-N	-1	0	311.319	0.988	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000813990174	670669875	/nfs/dbraw/zinc/66/98/75/670669875.db2.gz	ZGBMJCIFMMZKTM-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
O=C1[N-]C(=O)C(=NNCc2cccc(Cl)c2Cl)C(=O)N1	ZINC000814227993	670681815	/nfs/dbraw/zinc/68/18/15/670681815.db2.gz	RPIVXEAGMUUKLO-UHFFFAOYSA-N	-1	0	315.116	0.805	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000814842482	670704788	/nfs/dbraw/zinc/70/47/88/670704788.db2.gz	ACTAEPBFWUSIOV-RQJHMYQMSA-N	-1	0	304.310	0.721	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](Cc1ccc(F)cc1)n1nnnc1C	ZINC000855603414	670734653	/nfs/dbraw/zinc/73/46/53/670734653.db2.gz	NKTAVBCIGXMNIP-CYBMUJFWSA-N	-1	0	303.297	0.585	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1	ZINC000855603080	670735004	/nfs/dbraw/zinc/73/50/04/670735004.db2.gz	LHYIBZVETMLYSY-OLZOCXBDSA-N	-1	0	322.361	0.649	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCOCC1CCCC1	ZINC000849218441	670765917	/nfs/dbraw/zinc/76/59/17/670765917.db2.gz	CBLYAIYJCALJIN-UHFFFAOYSA-N	-1	0	303.380	0.543	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(NC(=O)CC)cc1	ZINC000849218884	670765958	/nfs/dbraw/zinc/76/59/58/670765958.db2.gz	ADSIDWXDFUGZIW-UHFFFAOYSA-N	-1	0	324.358	0.744	20	30		DCEDRM
O=C([O-])Cn1cc(C(=O)/C=C\c2ccnn2CC2CC2)nn1	ZINC000849249599	670769094	/nfs/dbraw/zinc/76/90/94/670769094.db2.gz	JOYSVGKNRGPBDH-ARJAWSKDSA-N	-1	0	301.306	0.865	20	30		DCEDRM
C#CC[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	ZINC000849331948	670777688	/nfs/dbraw/zinc/77/76/88/670777688.db2.gz	GFWNGMDWJAKSRF-NEPJUHHUSA-N	-1	0	300.380	0.516	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000816010945	670779641	/nfs/dbraw/zinc/77/96/41/670779641.db2.gz	ANHNICISRPHDQK-LLVKDONJSA-N	-1	0	309.347	0.500	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CN2CCCCC2=O)CCC1	ZINC000816025876	670780581	/nfs/dbraw/zinc/78/05/81/670780581.db2.gz	FOSUVLYQSGESRP-UHFFFAOYSA-N	-1	0	313.379	0.139	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCCC1)C(=O)OC	ZINC000849398028	670789359	/nfs/dbraw/zinc/78/93/59/670789359.db2.gz	JBLCXDSVNQOPDD-CHWSQXEVSA-N	-1	0	317.407	0.676	20	30		DCEDRM
COc1cc(C=NN2C(=O)[C@@H](C)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000857217492	670897110	/nfs/dbraw/zinc/89/71/10/670897110.db2.gz	TWTNFCBHRNPBBO-SSDOTTSWSA-N	-1	0	322.277	0.925	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)oc1C	ZINC000850753040	670938097	/nfs/dbraw/zinc/93/80/97/670938097.db2.gz	VJYGDEPUDXQSKT-LLVKDONJSA-N	-1	0	322.317	0.850	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1cccn1C	ZINC000851084083	670966814	/nfs/dbraw/zinc/96/68/14/670966814.db2.gz	YQCLUCOOBWPGIX-NSHDSACASA-N	-1	0	313.379	0.301	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C	ZINC000851173120	670972036	/nfs/dbraw/zinc/97/20/36/670972036.db2.gz	GDMFNSNQHJTICB-UHFFFAOYSA-N	-1	0	324.362	0.366	20	30		DCEDRM
COCC(COC)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000851498454	670992380	/nfs/dbraw/zinc/99/23/80/670992380.db2.gz	WGPSUSLWESVJRE-UHFFFAOYSA-N	-1	0	312.347	0.279	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000818315768	671002350	/nfs/dbraw/zinc/00/23/50/671002350.db2.gz	AIRUWZCTYGZVDW-WDEREUQCSA-N	-1	0	308.338	0.731	20	30		DCEDRM
N#CC1(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCCC1	ZINC000818318572	671002970	/nfs/dbraw/zinc/00/29/70/671002970.db2.gz	XLHVULPJTXXPDZ-SNVBAGLBSA-N	-1	0	303.322	0.834	20	30		DCEDRM
C=C(Br)CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000818659532	671042312	/nfs/dbraw/zinc/04/23/12/671042312.db2.gz	VRONNFAPFSGHAW-UHFFFAOYSA-N	-1	0	321.171	0.628	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)N(C)CCC)nn1	ZINC000820250699	671181970	/nfs/dbraw/zinc/18/19/70/671181970.db2.gz	JJDHSDJLBZSPRU-UHFFFAOYSA-N	-1	0	301.372	0.171	20	30		DCEDRM
CC(C)(C)[C@H](C(=O)[O-])C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000852952156	671199262	/nfs/dbraw/zinc/19/92/62/671199262.db2.gz	VULGWNPFHGMYSM-KAMHRAILSA-N	-1	0	323.349	0.376	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccnc2ccnn21	ZINC000860461150	671211013	/nfs/dbraw/zinc/21/10/13/671211013.db2.gz	FPYYYDSEHRPJSV-JTQLQIEISA-N	-1	0	301.306	0.204	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)CCOCC1	ZINC000820605891	671214038	/nfs/dbraw/zinc/21/40/38/671214038.db2.gz	LDIOMLYAZSBEPH-SNVBAGLBSA-N	-1	0	319.379	0.367	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(N2CCC(O)CC2)cc1	ZINC000853349404	671228881	/nfs/dbraw/zinc/22/88/81/671228881.db2.gz	WQNRENKZAOAHDW-UHFFFAOYSA-N	-1	0	303.322	0.533	20	30		DCEDRM
CCn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c(C)n1	ZINC000860672737	671229030	/nfs/dbraw/zinc/22/90/30/671229030.db2.gz	ZRPWSOVEPYHXBU-UHFFFAOYSA-N	-1	0	310.379	0.965	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(Cl)nn(C)c1Cl	ZINC000860721198	671233097	/nfs/dbraw/zinc/23/30/97/671233097.db2.gz	AFZIEYGZICFHII-UHFFFAOYSA-N	-1	0	310.162	0.810	20	30		DCEDRM
COC(=O)c1cccc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)n1	ZINC000821039982	671247859	/nfs/dbraw/zinc/24/78/59/671247859.db2.gz	VEHXZDUBQBZNCM-SREVYHEPSA-N	-1	0	315.285	0.564	20	30		DCEDRM
COc1ccc(CC(=O)[N-]S(=O)(=O)CCC#N)cc1OC	ZINC000821582736	671284361	/nfs/dbraw/zinc/28/43/61/671284361.db2.gz	VZODJPGOLNELJH-UHFFFAOYSA-N	-1	0	312.347	0.606	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cnc(OCC2CC2)cn1	ZINC000821583936	671284625	/nfs/dbraw/zinc/28/46/25/671284625.db2.gz	MCPIGOFIQGKNPB-UHFFFAOYSA-N	-1	0	310.335	0.239	20	30		DCEDRM
Cc1cc(C)n(N=Cc2cncs2)c(=O)c1-c1nnn[n-]1	ZINC000822199185	671309951	/nfs/dbraw/zinc/30/99/51/671309951.db2.gz	ZKZWSWBOOAITRI-UHFFFAOYSA-N	-1	0	301.335	0.984	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F	ZINC000824232954	671424291	/nfs/dbraw/zinc/42/42/91/671424291.db2.gz	NXDNXOUDDCZDLC-XLPZGREQSA-N	-1	0	301.286	0.832	20	30		DCEDRM
CNC(=O)c1cccc(Cn2cnc(-c3nnn[n-]3)c2C#N)c1	ZINC000826073476	671478987	/nfs/dbraw/zinc/47/89/87/671478987.db2.gz	UGHFBUIGEPNSNP-UHFFFAOYSA-N	-1	0	308.305	0.343	20	30		DCEDRM
N#Cc1cccc(OCCn2cccc(-c3nnn[n-]3)c2=O)c1	ZINC000826387418	671486762	/nfs/dbraw/zinc/48/67/62/671486762.db2.gz	UNSWACJHYQBELB-UHFFFAOYSA-N	-1	0	308.301	0.979	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)N1CCc2ccccc21	ZINC000826383092	671486861	/nfs/dbraw/zinc/48/68/61/671486861.db2.gz	JYSFMDFGQAGMGQ-UHFFFAOYSA-N	-1	0	320.316	0.524	20	30		DCEDRM
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(CC#N)CC(=O)[O-]	ZINC000827436698	671527668	/nfs/dbraw/zinc/52/76/68/671527668.db2.gz	FPTCXBHXQXFOJQ-JTQLQIEISA-N	-1	0	313.354	0.926	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000828389605	671551575	/nfs/dbraw/zinc/55/15/75/671551575.db2.gz	MDDYBHKWFXTRRN-VIFPVBQESA-N	-1	0	316.310	0.787	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@@H]1CCC(=O)C1)cc2=O	ZINC000830910335	671646503	/nfs/dbraw/zinc/64/65/03/671646503.db2.gz	PBOLTWJNSSOATO-MRVPVSSYSA-N	-1	0	300.274	0.719	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])n1	ZINC000831162069	671656829	/nfs/dbraw/zinc/65/68/29/671656829.db2.gz	VZICTDVIXVYJIP-VHSXEESVSA-N	-1	0	306.326	0.092	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1ccccc1C#N	ZINC000833720868	671749629	/nfs/dbraw/zinc/74/96/29/671749629.db2.gz	GYYWMJDFGHNTBX-CYBMUJFWSA-N	-1	0	312.347	0.716	20	30		DCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC	ZINC000835141907	671788587	/nfs/dbraw/zinc/78/85/87/671788587.db2.gz	NCFXRZYNRQSWQS-JTQLQIEISA-N	-1	0	318.395	0.587	20	30		DCEDRM
C[C@@H](Oc1ccccn1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000835316965	671793585	/nfs/dbraw/zinc/79/35/85/671793585.db2.gz	LBNNMEGVHRZCQN-LLVKDONJSA-N	-1	0	323.374	0.989	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2	ZINC000835382845	671795255	/nfs/dbraw/zinc/79/52/55/671795255.db2.gz	GZMLFSJQIOOKMZ-JTQLQIEISA-N	-1	0	309.343	0.465	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cccnc1OCC(F)F	ZINC000835409513	671795562	/nfs/dbraw/zinc/79/55/62/671795562.db2.gz	ZGCRDIFZUOVXNC-UHFFFAOYSA-N	-1	0	319.289	0.699	20	30		DCEDRM
COc1cccc2c1OCC(C(=O)[N-]S(=O)(=O)CCC#N)=C2	ZINC000835411445	671795820	/nfs/dbraw/zinc/79/58/20/671795820.db2.gz	MNVSDYDKDFTNJV-UHFFFAOYSA-N	-1	0	322.342	0.831	20	30		DCEDRM
C#C[C@@H]([N-]S(=O)(=O)c1occc1C(=O)OC)[C@@H]1CCCO1	ZINC000867123832	671798283	/nfs/dbraw/zinc/79/82/83/671798283.db2.gz	FMKOBIHNRKRDPV-MNOVXSKESA-N	-1	0	313.331	0.525	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC[C@H](Cn2c(=O)[n-]cc(C#N)c2=O)C1	ZINC000842618084	672022138	/nfs/dbraw/zinc/02/21/38/672022138.db2.gz	VDJSLGIFAGGACP-JTQLQIEISA-N	-1	0	320.349	0.665	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)C2)cc1	ZINC000842676328	672027367	/nfs/dbraw/zinc/02/73/67/672027367.db2.gz	WSJRQSSQSAEMES-GFCCVEGCSA-N	-1	0	306.343	0.873	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cn(C2CCC2)nn1	ZINC000842680830	672028019	/nfs/dbraw/zinc/02/80/19/672028019.db2.gz	AYHSCEXSIJARCT-GFCCVEGCSA-N	-1	0	319.365	0.868	20	30		DCEDRM
C[C@H]1CCN(c2cccc(S(N)(=O)=O)c2C#N)C[C@@H]1C(=O)[O-]	ZINC000843034912	672055472	/nfs/dbraw/zinc/05/54/72/672055472.db2.gz	DXQNJNTYHQIGCX-ONGXEEELSA-N	-1	0	323.374	0.753	20	30		DCEDRM
CN(CC1CC1)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844815845	672204523	/nfs/dbraw/zinc/20/45/23/672204523.db2.gz	JEEHDKFEABEIGZ-UHFFFAOYSA-N	-1	0	300.380	0.373	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)s1	ZINC000844815262	672204531	/nfs/dbraw/zinc/20/45/31/672204531.db2.gz	HIWFVFBHNUFZKR-UHFFFAOYSA-N	-1	0	314.388	0.940	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000845885410	672280856	/nfs/dbraw/zinc/28/08/56/672280856.db2.gz	NNVZYTASIWGSJV-UHFFFAOYSA-N	-1	0	313.331	0.921	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000846003645	672288164	/nfs/dbraw/zinc/28/81/64/672288164.db2.gz	ICYOVUDYRWPYPZ-UHFFFAOYSA-N	-1	0	317.754	0.558	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1	ZINC000846147668	672297329	/nfs/dbraw/zinc/29/73/29/672297329.db2.gz	ZJFQMHNFHBKRMF-GFCCVEGCSA-N	-1	0	317.345	0.853	20	30		DCEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000798812607	685346352	/nfs/dbraw/zinc/34/63/52/685346352.db2.gz	VFZZEHSVIFGONX-SNVBAGLBSA-N	-1	0	319.346	0.524	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)C1CCN(S(=O)(=O)CC)CC1	ZINC000092463375	685108767	/nfs/dbraw/zinc/10/87/67/685108767.db2.gz	ORHPQQOZYRWAIP-UHFFFAOYSA-N	-1	0	318.395	0.147	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]32)c1[O-]	ZINC001008967087	690964308	/nfs/dbraw/zinc/96/43/08/690964308.db2.gz	XCZYITHTYWJXMB-WKJUBOCMSA-N	-1	0	317.349	0.018	20	30		DCEDRM
C=C(C)CN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21	ZINC001074218831	694842482	/nfs/dbraw/zinc/84/24/82/694842482.db2.gz	GCBJFKBKTQMIHU-CHWSQXEVSA-N	-1	0	320.393	0.915	20	30		DCEDRM
CC#CCN1CCO[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21	ZINC001074219724	694843382	/nfs/dbraw/zinc/84/33/82/694843382.db2.gz	VFLVORJKOLFBGB-OLZOCXBDSA-N	-1	0	318.377	0.362	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001076167475	695003030	/nfs/dbraw/zinc/00/30/30/695003030.db2.gz	BOYGVBLPHRLAET-JTQLQIEISA-N	-1	0	322.365	0.088	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001076510124	695025991	/nfs/dbraw/zinc/02/59/91/695025991.db2.gz	DKFZWGGMCMSJDR-GXSJLCMTSA-N	-1	0	322.365	0.087	20	30		DCEDRM
C=CCO[N-]C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC001627707839	1158332186	/nfs/dbraw/zinc/33/21/86/1158332186.db2.gz	YEFGJVPLVKKIRH-UHFFFAOYSA-N	-1	0	315.307	0.107	20	30		DCEDRM
N#C[C@]1(F)CCN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C1	ZINC001608177013	1159801248	/nfs/dbraw/zinc/80/12/48/1159801248.db2.gz	IXWXAXQYMSGHEA-JBLDHEPKSA-N	-1	0	304.343	0.897	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1	ZINC001565825985	1159900043	/nfs/dbraw/zinc/90/00/43/1159900043.db2.gz	CQASQRJZXHHCMO-BLLLJJGKSA-N	-1	0	321.425	0.743	20	30		DCEDRM
C=CC(C)(C)C(=O)N(C)[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C1	ZINC001567918684	1160533710	/nfs/dbraw/zinc/53/37/10/1160533710.db2.gz	MYHAFLTUQRDZFV-NSHDSACASA-N	-1	0	307.398	0.353	20	30		DCEDRM
C#CCN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1nccs1	ZINC001573302047	1163412399	/nfs/dbraw/zinc/41/23/99/1163412399.db2.gz	OVOPJJSNQKEDLE-JTQLQIEISA-N	-1	0	321.358	0.433	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001573769352	1163548624	/nfs/dbraw/zinc/54/86/24/1163548624.db2.gz	OWIJWFMVEQMPPO-TUAOUCFPSA-N	-1	0	317.411	0.946	20	30		DCEDRM
Cc1c(C(=O)NCCn2cnc(C(=O)[O-])c2)cnn1CCC#N	ZINC001574114771	1163639804	/nfs/dbraw/zinc/63/98/04/1163639804.db2.gz	XOGDEVHHNWBLOU-UHFFFAOYSA-N	-1	0	316.321	0.430	20	30		DCEDRM
N#CC1(CS(=O)(=O)NC2(CC(=O)[O-])COC2)CCCC1	ZINC001574242086	1163672494	/nfs/dbraw/zinc/67/24/94/1163672494.db2.gz	SPZHUJOMCNEHDP-UHFFFAOYSA-N	-1	0	302.352	0.233	20	30		DCEDRM
N#Cc1cc(NC(=O)C2=CCS(=O)(=O)C2)ccc1NC(=O)[O-]	ZINC001574245521	1163673320	/nfs/dbraw/zinc/67/33/20/1163673320.db2.gz	QNIIEQSXQTUMJA-UHFFFAOYSA-N	-1	0	321.314	0.941	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(C[N@H+]1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])cc2=O	ZINC001574249674	1163674875	/nfs/dbraw/zinc/67/48/75/1163674875.db2.gz	ZPUCUFSZLXHMJK-KDDOJWQBSA-N	-1	0	313.317	0.744	20	30		DCEDRM
C[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)[C@H](O)C(F)(F)F	ZINC001575444920	1164017930	/nfs/dbraw/zinc/01/79/30/1164017930.db2.gz	NOHBUUFDUPUPEZ-VHWMUFPASA-N	-1	0	314.231	0.252	20	30		DCEDRM
CCC1(CO)CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001577113921	1164607014	/nfs/dbraw/zinc/60/70/14/1164607014.db2.gz	KGPNJDGCYPOZEZ-UHFFFAOYSA-N	-1	0	314.353	0.517	20	30		DCEDRM
CCCC[C@H](O)CCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001577491647	1164704325	/nfs/dbraw/zinc/70/43/25/1164704325.db2.gz	UBXIEUXRICHCGU-QMMMGPOBSA-N	-1	0	318.341	0.731	20	30		DCEDRM
COC(=O)C[C@@H]1CCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579448047	1165312946	/nfs/dbraw/zinc/31/29/46/1165312946.db2.gz	WYCNBYINUJBGBA-QMMMGPOBSA-N	-1	0	314.309	0.060	20	30		DCEDRM
CO[C@@H]1[C@H]2C[C@H]3CN(c4cnc(C#N)c(-c5nnn[n-]5)n4)[C@H]1[C@H]3C2	ZINC001579602180	1165357904	/nfs/dbraw/zinc/35/79/04/1165357904.db2.gz	BLALQOANYFLWJV-CZKZMCHXSA-N	-1	0	324.348	0.388	20	30		DCEDRM
C[C@@](O)(C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1ccccc1	ZINC001580390159	1165591408	/nfs/dbraw/zinc/59/14/08/1165591408.db2.gz	VKSZSMJGDQQNFL-AWEZNQCLSA-N	-1	0	324.304	0.308	20	30		DCEDRM
Cn1c(=O)[nH]c(NCc2cccc(C#N)c2)c(-c2nnn[n-]2)c1=O	ZINC001581747213	1165865519	/nfs/dbraw/zinc/86/55/19/1165865519.db2.gz	CZLZCZSUQIBUSS-UHFFFAOYSA-N	-1	0	324.304	0.150	20	30		DCEDRM
N#Cc1nc(NC(=O)c2c(F)cncc2F)[n-]c1-c1nn[nH]n1	ZINC001581860627	1165890989	/nfs/dbraw/zinc/89/09/89/1165890989.db2.gz	KPEVKGWDFLMWMG-UHFFFAOYSA-N	-1	0	317.219	0.387	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ocnc2C(F)F)[n-]c1-c1nn[nH]n1	ZINC001581860556	1165892762	/nfs/dbraw/zinc/89/27/62/1165892762.db2.gz	HFLPTRFHUGSXJM-UHFFFAOYSA-N	-1	0	321.207	0.639	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CCCC(=O)N1CCCCC1	ZINC001581860513	1165892835	/nfs/dbraw/zinc/89/28/35/1165892835.db2.gz	DSZRVQOWQYGYMW-UHFFFAOYSA-N	-1	0	314.353	0.728	20	30		DCEDRM
N#Cc1ncc(N2CCC(c3ncco3)CC2)nc1-c1nnn[n-]1	ZINC001581882393	1165901615	/nfs/dbraw/zinc/90/16/15/1165901615.db2.gz	WUQIQHZURXXPLE-UHFFFAOYSA-N	-1	0	323.320	0.900	20	30		DCEDRM
N#Cc1ncc(N[C@H](CO)C2CCCCC2)nc1-c1nnn[n-]1	ZINC001581883235	1165901805	/nfs/dbraw/zinc/90/18/05/1165901805.db2.gz	SLKPJZROOUCHTC-LLVKDONJSA-N	-1	0	314.353	0.881	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1CCCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001582755125	1166076626	/nfs/dbraw/zinc/07/66/26/1166076626.db2.gz	OSJKZDPNEUHRAI-GFCCVEGCSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C#CCOCCn1cc2c(c(-c3nnn[n-]3)c1=O)CCCC2=O	ZINC001588363450	1166545469	/nfs/dbraw/zinc/54/54/69/1166545469.db2.gz	GTUFQAJLXKOQEC-UHFFFAOYSA-N	-1	0	313.317	0.197	20	30		DCEDRM
C#CCOC(=O)C1CCN(c2oc(C)nc2-c2nnn[n-]2)CC1	ZINC001588356935	1166546911	/nfs/dbraw/zinc/54/69/11/1166546911.db2.gz	HCTNCKFNAOHLKO-UHFFFAOYSA-N	-1	0	316.321	0.556	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2O)C(=O)[O-]	ZINC001588414875	1166551452	/nfs/dbraw/zinc/55/14/52/1166551452.db2.gz	VBJWZTZJQUZWSU-NEPJUHHUSA-N	-1	0	304.302	0.363	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(=O)OC	ZINC001588423464	1166552969	/nfs/dbraw/zinc/55/29/69/1166552969.db2.gz	IAZVOFRZOONONB-ZETCQYMHSA-N	-1	0	317.344	0.290	20	30		DCEDRM
C=CCCOCCNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001588617919	1166570180	/nfs/dbraw/zinc/57/01/80/1166570180.db2.gz	HTUFIHMGUKONDK-UHFFFAOYSA-N	-1	0	303.322	0.895	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)ccn1	ZINC001588726104	1166582996	/nfs/dbraw/zinc/58/29/96/1166582996.db2.gz	SSJJAPPHQWMXHQ-JQWIXIFHSA-N	-1	0	300.322	0.583	20	30		DCEDRM
C[C@@H](C(=O)N1CCC(C)(C#N)CC1)n1cnc(-c2nnn[n-]2)n1	ZINC001588949217	1166621508	/nfs/dbraw/zinc/62/15/08/1166621508.db2.gz	UDYVJUWDRVNLPB-VIFPVBQESA-N	-1	0	315.341	0.171	20	30		DCEDRM
C[C@@]1(C#N)CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1	ZINC001590055051	1166760944	/nfs/dbraw/zinc/76/09/44/1166760944.db2.gz	OXKPRJSMDDQTKZ-LBPRGKRZSA-N	-1	0	319.350	0.186	20	30		DCEDRM
C[C@@H]1CC(Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@@H](C)O1	ZINC001590209302	1166816292	/nfs/dbraw/zinc/81/62/92/1166816292.db2.gz	LNKWIOYKUSJWOS-HTQZYQBOSA-N	-1	0	300.326	0.896	20	30		DCEDRM
CC[C@@](C)(C#N)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001590371564	1166891674	/nfs/dbraw/zinc/89/16/74/1166891674.db2.gz	DMNLAYQIJLVKKR-ZDUSSCGKSA-N	-1	0	301.310	0.698	20	30		DCEDRM
CCO[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)C1CC1	ZINC001590780884	1167019590	/nfs/dbraw/zinc/01/95/90/1167019590.db2.gz	KIDMZBWJYNXMAF-VIFPVBQESA-N	-1	0	302.298	0.215	20	30		DCEDRM
CCc1ccc(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)nc1	ZINC001590886707	1167044548	/nfs/dbraw/zinc/04/45/48/1167044548.db2.gz	IIWJOICFXDVBQG-UHFFFAOYSA-N	-1	0	323.320	0.600	20	30		DCEDRM
CO[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC[C@H]1C	ZINC001591360018	1167233540	/nfs/dbraw/zinc/23/35/40/1167233540.db2.gz	GRJBUGBJXSHMIK-SCZZXKLOSA-N	-1	0	300.326	0.390	20	30		DCEDRM
COc1cc(C#N)ccc1Cn1cc(-c2nnn[n-]2)ccc1=O	ZINC001591509110	1167316958	/nfs/dbraw/zinc/31/69/58/1167316958.db2.gz	PGSWSOYZGHHJHS-UHFFFAOYSA-N	-1	0	308.301	0.957	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC[C@@H]1COC(C)(C)O1	ZINC001592334958	1167491877	/nfs/dbraw/zinc/49/18/77/1167491877.db2.gz	JILDNNSHFDIYFJ-SECBINFHSA-N	-1	0	303.326	0.785	20	30		DCEDRM
N#Cc1ncc(NCc2nnc(C3CC3)o2)nc1-c1nnn[n-]1	ZINC001592708890	1167609025	/nfs/dbraw/zinc/60/90/25/1167609025.db2.gz	YCRNORHAXLQGLK-UHFFFAOYSA-N	-1	0	310.281	0.401	20	30		DCEDRM
CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])[C@H](C)O	ZINC001595311561	1167970347	/nfs/dbraw/zinc/97/03/47/1167970347.db2.gz	QLOCIMUXLPQRFC-GZMMTYOYSA-N	-1	0	312.347	0.694	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2ccc(C#N)o2)[C@H](C(=O)[O-])C1	ZINC001598794742	1168035541	/nfs/dbraw/zinc/03/55/41/1168035541.db2.gz	CADBPRFFYYDJNS-WPRPVWTQSA-N	-1	0	306.274	0.630	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2cc(C#N)oc2C)[C@@H](C(=O)[O-])C1	ZINC001598799326	1168042503	/nfs/dbraw/zinc/04/25/03/1168042503.db2.gz	TXJMNFBRTPNSHI-JOYOIKCWSA-N	-1	0	320.301	0.938	20	30		DCEDRM
Cc1c(C(=O)[O-])cc(CNC(=O)N2CCO[C@H](C#N)C2)n1C	ZINC001599989663	1168078024	/nfs/dbraw/zinc/07/80/24/1168078024.db2.gz	QTPARPZUCFQTHH-LLVKDONJSA-N	-1	0	306.322	0.466	20	30		DCEDRM
Cc1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cc(C)c1C#N	ZINC001600097439	1168119075	/nfs/dbraw/zinc/11/90/75/1168119075.db2.gz	KAGLVMWLQOKLGM-QWRGUYRKSA-N	-1	0	317.345	0.883	20	30		DCEDRM
Cc1cc(CN=Nc2ccc(S(N)(=O)=O)cn2)[nH]c1C(=O)[O-]	ZINC001600185859	1168132060	/nfs/dbraw/zinc/13/20/60/1168132060.db2.gz	YBLVHNGMGXVQMV-UHFFFAOYSA-N	-1	0	323.334	0.510	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NCCCCC(=O)[O-])nn1CCC#N	ZINC001600247735	1168148228	/nfs/dbraw/zinc/14/82/28/1168148228.db2.gz	MEWHOBFYYHNGPA-UHFFFAOYSA-N	-1	0	321.337	0.415	20	30		DCEDRM
Cc1ccn(CC(=O)NC2(C(=O)[O-])CCCCC2)c(=O)c1C#N	ZINC001600595040	1168206587	/nfs/dbraw/zinc/20/65/87/1168206587.db2.gz	ASOASFBTNWBGCX-UHFFFAOYSA-N	-1	0	317.345	0.932	20	30		DCEDRM
Cc1nsc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1C#N	ZINC001600819616	1168475105	/nfs/dbraw/zinc/47/51/05/1168475105.db2.gz	GAAUTAIOWOADKI-SFYZADRCSA-N	-1	0	310.335	0.623	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001600899573	1168499362	/nfs/dbraw/zinc/49/93/62/1168499362.db2.gz	NDXKQKYRGHMANY-GFCCVEGCSA-N	-1	0	319.317	0.519	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC001600899848	1168500104	/nfs/dbraw/zinc/50/01/04/1168500104.db2.gz	UPBAHXBSZPPUCJ-PWSUYJOCSA-N	-1	0	305.334	0.896	20	30		DCEDRM
Cn1cc(S(=O)(=O)Oc2cccnc2C#N)cc1C(=O)[O-]	ZINC001600969666	1168536519	/nfs/dbraw/zinc/53/65/19/1168536519.db2.gz	KGSBETSXUNLGTJ-UHFFFAOYSA-N	-1	0	307.287	0.758	20	30		DCEDRM
N#C[C@]1(C(=O)NCCC(=O)NCCC(=O)[O-])CC2CCC1CC2	ZINC001601050050	1168577692	/nfs/dbraw/zinc/57/76/92/1168577692.db2.gz	BZWUQQYUNCNCTQ-ZEPSKSRBSA-N	-1	0	321.377	0.804	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(Cc2ccc(S(N)(=O)=O)o2)CC1	ZINC001601052510	1168577821	/nfs/dbraw/zinc/57/78/21/1168577821.db2.gz	RFLGFBOIOQVRQU-UHFFFAOYSA-N	-1	0	313.335	0.117	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCCC[C@H]2CCOC2=O)CC1	ZINC001601051407	1168577865	/nfs/dbraw/zinc/57/78/65/1168577865.db2.gz	OFKKKXZKCRLWAD-NSHDSACASA-N	-1	0	323.349	0.730	20	30		DCEDRM
N#CC1(CCCN2[C@@H](C(=O)[O-])CCS2(=O)=O)CCOCC1	ZINC001601053969	1168578183	/nfs/dbraw/zinc/57/81/83/1168578183.db2.gz	CZDIHYOMLKNLNW-LLVKDONJSA-N	-1	0	316.379	0.576	20	30		DCEDRM
N#CC1CCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CC1	ZINC001601060612	1168579277	/nfs/dbraw/zinc/57/92/77/1168579277.db2.gz	FGUFUGXGXRNKQH-GFCCVEGCSA-N	-1	0	307.350	0.366	20	30		DCEDRM
N#CC[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])C(F)(F)F	ZINC001601062994	1168579965	/nfs/dbraw/zinc/57/99/65/1168579965.db2.gz	WQUYWOBTPBMAGB-ZETCQYMHSA-N	-1	0	324.259	0.111	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cc(Cn2cccn2)on1	ZINC001601069453	1168580202	/nfs/dbraw/zinc/58/02/02/1168580202.db2.gz	CYVLDJVAQHOQCY-UHFFFAOYSA-N	-1	0	303.278	0.360	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1CCCN(CC(F)F)C1	ZINC001601071251	1168580896	/nfs/dbraw/zinc/58/08/96/1168580896.db2.gz	XMCCIYCFVKWSCZ-SNVBAGLBSA-N	-1	0	303.309	0.790	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cncc(N2CCCC2=O)c1	ZINC001601071743	1168581117	/nfs/dbraw/zinc/58/11/17/1168581117.db2.gz	FXAQBZBOVNTYSF-UHFFFAOYSA-N	-1	0	316.317	0.649	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@]1([C@@H]2CCCCO2)CCCO1	ZINC001601072725	1168581864	/nfs/dbraw/zinc/58/18/64/1168581864.db2.gz	VMIWBYIYXYVXAY-SWLSCSKDSA-N	-1	0	310.350	0.932	20	30		DCEDRM
N#CCSCC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001601075358	1168582373	/nfs/dbraw/zinc/58/23/73/1168582373.db2.gz	CYAALZLTSUGITF-SECBINFHSA-N	-1	0	309.351	0.397	20	30		DCEDRM
N#CCSCC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001601076364	1168582525	/nfs/dbraw/zinc/58/25/25/1168582525.db2.gz	PVCBLPDUKVMPGN-JTQLQIEISA-N	-1	0	321.362	0.126	20	30		DCEDRM
N#CCNCCc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC001601074724	1168582555	/nfs/dbraw/zinc/58/25/55/1168582555.db2.gz	OGJAISSOMJPKNW-ZIAGYGMSSA-N	-1	0	301.346	0.679	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1	ZINC001601078482	1168582858	/nfs/dbraw/zinc/58/28/58/1168582858.db2.gz	YXQUHXLHNSJYSJ-ZDUSSCGKSA-N	-1	0	312.322	0.940	20	30		DCEDRM
N#CCc1cccc(NC(=O)N2CCC(O)(C(=O)[O-])CC2)n1	ZINC001601078308	1168583046	/nfs/dbraw/zinc/58/30/46/1168583046.db2.gz	SCSFUUWKDQSYSK-UHFFFAOYSA-N	-1	0	304.306	0.591	20	30		DCEDRM
N#Cc1cc(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)c[nH]1	ZINC001601087628	1168583392	/nfs/dbraw/zinc/58/33/92/1168583392.db2.gz	MUXTUVNAOXKJKN-LLVKDONJSA-N	-1	0	305.290	0.509	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(C[C@H]2CC3(CCC3)C(=O)O2)c1=O	ZINC001601086893	1168583579	/nfs/dbraw/zinc/58/35/79/1168583579.db2.gz	AQTXSHOKHRJUOO-LLVKDONJSA-N	-1	0	302.286	0.904	20	30		DCEDRM
N#Cc1c(COC(=O)[C@H]2CCC(=O)NC2)cccc1C(=O)[O-]	ZINC001601083887	1168583696	/nfs/dbraw/zinc/58/36/96/1168583696.db2.gz	WUTJAPZJDHKLDX-VIFPVBQESA-N	-1	0	302.286	0.826	20	30		DCEDRM
N#Cc1ccc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)nc1Cl	ZINC001601091949	1168584103	/nfs/dbraw/zinc/58/41/03/1168584103.db2.gz	HXNMEPRZTVTAIU-CYBMUJFWSA-N	-1	0	309.709	0.828	20	30		DCEDRM
N#Cc1ccc(CN2CCC[C@H]2C(=O)NCC(=O)[O-])cc1F	ZINC001601099808	1168584396	/nfs/dbraw/zinc/58/43/96/1168584396.db2.gz	CPHFICDHBAYMIP-ZDUSSCGKSA-N	-1	0	305.309	0.863	20	30		DCEDRM
N#Cc1ccc(Cl)cc1NC(=O)CN1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC001601103335	1168585463	/nfs/dbraw/zinc/58/54/63/1168585463.db2.gz	DEVDIYYVDRALDV-CMPLNLGQSA-N	-1	0	323.736	0.670	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)s1	ZINC001601101512	1168585512	/nfs/dbraw/zinc/58/55/12/1168585512.db2.gz	CFXRXNZDERHBBG-WKFQBHICSA-N	-1	0	300.361	0.902	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)c2scnc2C(=O)[O-])nc1	ZINC001601101909	1168585675	/nfs/dbraw/zinc/58/56/75/1168585675.db2.gz	PYUCADLMSZYURL-UHFFFAOYSA-N	-1	0	324.343	0.586	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cc1	ZINC001601110206	1168585917	/nfs/dbraw/zinc/58/59/17/1168585917.db2.gz	NEBHXKCEBWNHGG-GXTWGEPZSA-N	-1	0	304.302	0.374	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)nc1	ZINC001601108637	1168585941	/nfs/dbraw/zinc/58/59/41/1168585941.db2.gz	RVCLLPVNDOEZDI-CQSZACIVSA-N	-1	0	318.333	0.049	20	30		DCEDRM
N#Cc1ccc(N2C[C@H](C(=O)NCCC(=O)[O-])CC2=O)cc1	ZINC001601106112	1168586254	/nfs/dbraw/zinc/58/62/54/1168586254.db2.gz	NIVMRWVEICPVMM-LLVKDONJSA-N	-1	0	301.302	0.502	20	30		DCEDRM
N#Cc1ccc(OC[C@@H](O)Cn2ncc(C(=O)[O-])cc2=O)cc1	ZINC001601110375	1168586639	/nfs/dbraw/zinc/58/66/39/1168586639.db2.gz	VQUJIFOFGXBJIZ-LBPRGKRZSA-N	-1	0	315.285	0.253	20	30		DCEDRM
N#Cc1cccnc1NC/C=C\CNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001601128440	1168589802	/nfs/dbraw/zinc/58/98/02/1168589802.db2.gz	QNUHCKVEVWEJCK-JZIZGNRHSA-N	-1	0	300.318	0.758	20	30		DCEDRM
N#Cc1cccnc1NC/C=C/CNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001601128441	1168590225	/nfs/dbraw/zinc/59/02/25/1168590225.db2.gz	QNUHCKVEVWEJCK-NUYITTKVSA-N	-1	0	300.318	0.758	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CN1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001601129797	1168590685	/nfs/dbraw/zinc/59/06/85/1168590685.db2.gz	TYQJELRBIPKFPD-KOLCDFICSA-N	-1	0	309.347	0.468	20	30		DCEDRM
N#Cc1cnc(N2CCC([C@H](O)C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC001601130545	1168591515	/nfs/dbraw/zinc/59/15/15/1168591515.db2.gz	QNAUHZAOMHRYCT-NSHDSACASA-N	-1	0	306.278	0.523	20	30		DCEDRM
N#Cc1csc(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n1	ZINC001601132019	1168592608	/nfs/dbraw/zinc/59/26/08/1168592608.db2.gz	BIQMGRSHPNGMRX-GMSGAONNSA-N	-1	0	310.335	0.304	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NC[C@]12COC(=O)N1CCOC2	ZINC001601132773	1168592951	/nfs/dbraw/zinc/59/29/51/1168592951.db2.gz	HAXABIUMKJVXSR-AWEZNQCLSA-N	-1	0	318.289	0.285	20	30		DCEDRM
N#Cc1nccnc1NC/C=C/CNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001601134908	1168593085	/nfs/dbraw/zinc/59/30/85/1168593085.db2.gz	BTIYUQNCDWHDJS-UFLMBTITSA-N	-1	0	301.306	0.153	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1C(=O)[O-]	ZINC001602671452	1169155738	/nfs/dbraw/zinc/15/57/38/1169155738.db2.gz	TUWLYGMCTLXTPS-SSDOTTSWSA-N	-1	0	303.723	0.311	20	30		DCEDRM
C#C[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])n1)[C@H]1CCCO1	ZINC001602678248	1169157065	/nfs/dbraw/zinc/15/70/65/1169157065.db2.gz	KVXIDSODFXXWAF-ZYHUDNBSSA-N	-1	0	303.318	0.489	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)[C@@H]1CCCO1	ZINC001602678711	1169157148	/nfs/dbraw/zinc/15/71/48/1169157148.db2.gz	PDABWBYWSCWNRV-QWRGUYRKSA-N	-1	0	301.364	0.342	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cccc(N2CCOC2=O)c1)C(=O)[O-]	ZINC001602693569	1169161965	/nfs/dbraw/zinc/16/19/65/1169161965.db2.gz	YDEUFDDKJHALTA-GFCCVEGCSA-N	-1	0	302.286	0.850	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(-n2ccnn2)ccc1F)C(=O)[O-]	ZINC001602691955	1169163087	/nfs/dbraw/zinc/16/30/87/1169163087.db2.gz	FLJXCZCMKCMOCM-LBPRGKRZSA-N	-1	0	302.265	0.613	20	30		DCEDRM
C#CCN1CCN(C(=O)CN([C@@H](C)C(=O)[O-])C2CCC2)CC1	ZINC001602720549	1169170246	/nfs/dbraw/zinc/17/02/46/1169170246.db2.gz	XXHUYOJKAKSVPW-ZDUSSCGKSA-N	-1	0	307.394	0.091	20	30		DCEDRM
C#CCOCCC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001602728379	1169174166	/nfs/dbraw/zinc/17/41/66/1169174166.db2.gz	SVOLLSOJLAMLJN-INIZCTEOSA-N	-1	0	309.362	0.635	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)OC)nc1	ZINC001602739865	1169176602	/nfs/dbraw/zinc/17/66/02/1169176602.db2.gz	PLKJWETVAUPEJM-YPMHNXCESA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)NCc2nc(C(=O)[O-])co2)cc1	ZINC001602742485	1169176822	/nfs/dbraw/zinc/17/68/22/1169176822.db2.gz	VMUYFOJHADDKGV-UHFFFAOYSA-N	-1	0	306.299	0.833	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC001602749163	1169178162	/nfs/dbraw/zinc/17/81/62/1169178162.db2.gz	POCTUEQNNJTTIM-ZJUUUORDSA-N	-1	0	304.368	0.234	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C(=O)[O-]	ZINC001602748633	1169178358	/nfs/dbraw/zinc/17/83/58/1169178358.db2.gz	DLOVNIIBLHTHMV-YFKTTZPYSA-N	-1	0	315.391	0.878	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1)C(=O)OCC	ZINC001602749087	1169178393	/nfs/dbraw/zinc/17/83/93/1169178393.db2.gz	NZZYHOFGRCQCHJ-USZNOCQGSA-N	-1	0	313.350	0.879	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001602764929	1169180709	/nfs/dbraw/zinc/18/07/09/1169180709.db2.gz	YFZOSICKQQNUFC-UWVGGRQHSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=C(C)Cn1c([C@H](C)CO)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001602766146	1169181825	/nfs/dbraw/zinc/18/18/25/1169181825.db2.gz	WITZZBMLELRFJJ-VXGBXAGGSA-N	-1	0	324.381	0.630	20	30		DCEDRM
C=C1CCC(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1	ZINC001602776089	1169183282	/nfs/dbraw/zinc/18/32/82/1169183282.db2.gz	VZUAMRHMJOVVDL-UHFFFAOYSA-N	-1	0	302.342	0.321	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)NC1(C(=O)[O-])CCSCC1	ZINC001602787492	1169183551	/nfs/dbraw/zinc/18/35/51/1169183551.db2.gz	IEZBWGUQMRNZHQ-UHFFFAOYSA-N	-1	0	301.364	0.962	20	30		DCEDRM
C=C(Cl)CNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001602791544	1169184342	/nfs/dbraw/zinc/18/43/42/1169184342.db2.gz	UTRUWZCLUUZMEA-UHFFFAOYSA-N	-1	0	314.729	0.510	20	30		DCEDRM
C=C[C@H](C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])c1ccccc1	ZINC001602801307	1169185055	/nfs/dbraw/zinc/18/50/55/1169185055.db2.gz	QBNNCLOBWJKFFT-QWHCGFSZSA-N	-1	0	302.330	0.758	20	30		DCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001602792285	1169185123	/nfs/dbraw/zinc/18/51/23/1169185123.db2.gz	UKZRUHPMYMQMDR-PHIMTYICSA-N	-1	0	311.363	0.839	20	30		DCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1	ZINC001602855356	1169192680	/nfs/dbraw/zinc/19/26/80/1169192680.db2.gz	NUYTZEDGIYMAKR-WCQYABFASA-N	-1	0	324.377	0.095	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC001602843279	1169192964	/nfs/dbraw/zinc/19/29/64/1169192964.db2.gz	YODZFRPTIVKNDA-NSHDSACASA-N	-1	0	320.345	0.993	20	30		DCEDRM
C=CCCC(=O)[C@@H]1CCCN1C(=O)Cn1cc(C(=O)[O-])nn1	ZINC001602855839	1169193879	/nfs/dbraw/zinc/19/38/79/1169193879.db2.gz	FIAMZSYGACLGMS-NSHDSACASA-N	-1	0	306.322	0.503	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@]1(OC)CCS(=O)(=O)C1)C(=O)[O-]	ZINC001602863945	1169196612	/nfs/dbraw/zinc/19/66/12/1169196612.db2.gz	VODCUIJDVGELJC-MFKMUULPSA-N	-1	0	319.379	0.116	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)c1cncn1CC)C(=O)[O-]	ZINC001602872624	1169197095	/nfs/dbraw/zinc/19/70/95/1169197095.db2.gz	LRWJHLQXPKXRGM-JTQLQIEISA-N	-1	0	301.368	0.991	20	30		DCEDRM
C=CCCN(C)C(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC001602880481	1169197538	/nfs/dbraw/zinc/19/75/38/1169197538.db2.gz	OKACDYBYQLKSRE-LBPRGKRZSA-N	-1	0	311.382	0.028	20	30		DCEDRM
C=CCCN(C)C(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C	ZINC001602880479	1169198566	/nfs/dbraw/zinc/19/85/66/1169198566.db2.gz	OKACDYBYQLKSRE-GFCCVEGCSA-N	-1	0	311.382	0.028	20	30		DCEDRM
C=CCN(CC(=O)OCC)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001602887641	1169198701	/nfs/dbraw/zinc/19/87/01/1169198701.db2.gz	FRKQTGKGSQIVBF-AOOOYVTPSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=CCN([C@H](C)COC)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001602887124	1169198707	/nfs/dbraw/zinc/19/87/07/1169198707.db2.gz	HYIWJVWUIIJAIK-SNVBAGLBSA-N	-1	0	314.363	0.991	20	30		DCEDRM
C=CCN1CC[C@H](N2CC[C@H](C(=O)[O-])C[C@H]2C(=O)OC)C1=O	ZINC001602898517	1169200763	/nfs/dbraw/zinc/20/07/63/1169200763.db2.gz	VIROGGGYYWEMKN-SRVKXCTJSA-N	-1	0	310.350	0.112	20	30		DCEDRM
C=CCOCC(=O)N1[C@H](C(=O)NCCC(=O)[O-])CS[C@H]1C	ZINC001602906525	1169201988	/nfs/dbraw/zinc/20/19/88/1169201988.db2.gz	JHWHWVHEMIQMAX-UWVGGRQHSA-N	-1	0	316.379	0.070	20	30		DCEDRM
C=CCOCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001602906703	1169202245	/nfs/dbraw/zinc/20/22/45/1169202245.db2.gz	KVHPRVZMGLSJCR-GHMZBOCLSA-N	-1	0	310.350	0.065	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCn2c(C)ncc2C1)C(=O)[O-]	ZINC001602910338	1169202784	/nfs/dbraw/zinc/20/27/84/1169202784.db2.gz	VTUMOBQBOJQFCE-DGCLKSJQSA-N	-1	0	307.350	0.526	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(/C=C\C(=O)OC)o1)C(=O)[O-]	ZINC001602913044	1169203162	/nfs/dbraw/zinc/20/31/62/1169203162.db2.gz	HGUUKCAMSZKVPW-JPVGGKMYSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)C(=O)OC	ZINC001602909117	1169203651	/nfs/dbraw/zinc/20/36/51/1169203651.db2.gz	OFTLWYHPGXDNQG-JTQLQIEISA-N	-1	0	324.333	0.804	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(CO)cc1OC)C(=O)[O-]	ZINC001602913531	1169204341	/nfs/dbraw/zinc/20/43/41/1169204341.db2.gz	URHQZBYWZSUUMS-GFCCVEGCSA-N	-1	0	309.318	0.573	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)[O-]	ZINC001602915507	1169204481	/nfs/dbraw/zinc/20/44/81/1169204481.db2.gz	OAERLIFTOUCXJF-LLVKDONJSA-N	-1	0	300.336	0.203	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccc(F)nc1F)C(=O)[O-]	ZINC001602915630	1169205029	/nfs/dbraw/zinc/20/50/29/1169205029.db2.gz	PNEZABXJFHNTGX-SSDOTTSWSA-N	-1	0	322.289	0.294	20	30		DCEDRM
C=CCOCCCC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001602915812	1169205697	/nfs/dbraw/zinc/20/56/97/1169205697.db2.gz	ZJGGTUTZAMVSJC-RYUDHWBXSA-N	-1	0	313.350	0.834	20	30		DCEDRM
C=CCSCCNC(=O)COCc1ocnc1C(=O)[O-]	ZINC001602925217	1169209444	/nfs/dbraw/zinc/20/94/44/1169209444.db2.gz	XGQMORXNQGVPAE-UHFFFAOYSA-N	-1	0	300.336	0.925	20	30		DCEDRM
C=CCn1c([C@H]2CC=NO2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602932283	1169210341	/nfs/dbraw/zinc/21/03/41/1169210341.db2.gz	NHFMKMYKWXMEGR-ZJUUUORDSA-N	-1	0	307.310	0.201	20	30		DCEDRM
C=CCn1c(-c2c[nH]cn2)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001602931374	1169210353	/nfs/dbraw/zinc/21/03/53/1169210353.db2.gz	SDEMJRVDZNTMBP-ONGXEEELSA-N	-1	0	318.337	0.533	20	30		DCEDRM
C=CCn1c([C@H](O)C=C)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001602933549	1169210693	/nfs/dbraw/zinc/21/06/93/1169210693.db2.gz	ZAVXDPGQFKXRJB-WDEREUQCSA-N	-1	0	308.338	0.363	20	30		DCEDRM
CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001602945735	1169215891	/nfs/dbraw/zinc/21/58/91/1169215891.db2.gz	KMPHWYZDBKCFPV-UWVGGRQHSA-N	-1	0	316.329	0.832	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H](C)CNc1ccc(-c2nn[nH]n2)nc1	ZINC001602983696	1169224500	/nfs/dbraw/zinc/22/45/00/1169224500.db2.gz	MFOSLNDEXBUEKB-RKDXNWHRSA-N	-1	0	300.326	0.338	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC001602983046	1169224519	/nfs/dbraw/zinc/22/45/19/1169224519.db2.gz	DUMMHVKAFDGHQW-VIFPVBQESA-N	-1	0	306.351	0.647	20	30		DCEDRM
C[C@@H](C(=O)OCC1(C#N)CCC1)n1cnc(-c2nnn[n-]2)n1	ZINC001603032270	1169234973	/nfs/dbraw/zinc/23/49/73/1169234973.db2.gz	PAJHMBKMSRNWEQ-QMMMGPOBSA-N	-1	0	302.298	0.256	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@H](CCNc2ccnc(C(=O)[O-])n2)C1	ZINC001603130436	1169250303	/nfs/dbraw/zinc/25/03/03/1169250303.db2.gz	VRTRLRYEWZCDMI-MNOVXSKESA-N	-1	0	317.349	0.407	20	30		DCEDRM
C[C@@H](C(=O)NC1(C(=O)[O-])CCSCC1)n1cnc(C#N)n1	ZINC001603155717	1169258690	/nfs/dbraw/zinc/25/86/90/1169258690.db2.gz	KLQBXQSGRPGTSW-QMMMGPOBSA-N	-1	0	309.351	0.177	20	30		DCEDRM
CC(C)CCO[C@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001603282640	1169286132	/nfs/dbraw/zinc/28/61/32/1169286132.db2.gz	HVMUJCZKJKRRDN-MRVPVSSYSA-N	-1	0	318.341	0.851	20	30		DCEDRM
CC(C)(C)c1cc(C(=O)N(CC#N)CC(=O)[O-])nc2ncnn21	ZINC001603529279	1169318043	/nfs/dbraw/zinc/31/80/43/1169318043.db2.gz	JXFZVUAEXWECHN-UHFFFAOYSA-N	-1	0	316.321	0.472	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001603700475	1169364701	/nfs/dbraw/zinc/36/47/01/1169364701.db2.gz	ZAMBREQBIPVRLB-LLVKDONJSA-N	-1	0	304.350	0.420	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001603700343	1169365129	/nfs/dbraw/zinc/36/51/29/1169365129.db2.gz	SFYWAWMCWNQXMW-LLVKDONJSA-N	-1	0	302.334	0.529	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(C(=O)[O-])on2)CC1	ZINC001603710962	1169370307	/nfs/dbraw/zinc/37/03/07/1169370307.db2.gz	BKBWDXNFTSEMNK-NSHDSACASA-N	-1	0	306.322	0.679	20	30		DCEDRM
CC(C)C[C@H](NC(=O)COC(=O)c1cccc(C#N)n1)C(=O)[O-]	ZINC001603777230	1169385681	/nfs/dbraw/zinc/38/56/81/1169385681.db2.gz	SJHZITSUVKDPAZ-LBPRGKRZSA-N	-1	0	319.317	0.726	20	30		DCEDRM
C[C@@H](OC(=O)c1cccc(C(=O)[O-])n1)C(=O)N(C)CCC#N	ZINC001604417748	1169587986	/nfs/dbraw/zinc/58/79/86/1169587986.db2.gz	LNYAFRGZGTWCCE-SECBINFHSA-N	-1	0	305.290	0.697	20	30		DCEDRM
C[C@@H](c1ccc(C(=O)[O-])o1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	ZINC001604460844	1169596385	/nfs/dbraw/zinc/59/63/85/1169596385.db2.gz	CHHFNRCGRDNSCU-BHDSKKPTSA-N	-1	0	324.358	0.909	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC001604626413	1169634924	/nfs/dbraw/zinc/63/49/24/1169634924.db2.gz	MCVHVVLNGOVDPE-PELKAZGASA-N	-1	0	319.292	0.957	20	30		DCEDRM
C[C@@H]1CN(Cc2noc(CCCC(=O)[O-])n2)C[C@@H](C)N1CC#N	ZINC001604802265	1169690227	/nfs/dbraw/zinc/69/02/27/1169690227.db2.gz	XSCDCTWHPOTULK-VXGBXAGGSA-N	-1	0	321.381	0.895	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])C[C@H](C)N1CC#N	ZINC001604804188	1169690738	/nfs/dbraw/zinc/69/07/38/1169690738.db2.gz	YXQRUHMHSYRIDQ-PHIMTYICSA-N	-1	0	303.384	0.099	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)CCCC(=O)[O-])C[C@H](C)N1CC#N	ZINC001604804189	1169691416	/nfs/dbraw/zinc/69/14/16/1169691416.db2.gz	YXQRUHMHSYRIDQ-QWRGUYRKSA-N	-1	0	303.384	0.099	20	30		DCEDRM
CNc1nc(C)ccc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001604900939	1169736586	/nfs/dbraw/zinc/73/65/86/1169736586.db2.gz	WJZSVOXJOPEJQZ-UHFFFAOYSA-N	-1	0	324.308	0.459	20	30		DCEDRM
COC(=O)c1csc(Cn2cnc(-c3nnn[n-]3)c2C#N)c1	ZINC001604989942	1169772275	/nfs/dbraw/zinc/77/22/75/1169772275.db2.gz	ASRJXHFCDVXWAG-UHFFFAOYSA-N	-1	0	315.318	0.831	20	30		DCEDRM
CC[C@H](CO)N(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001605043130	1169794009	/nfs/dbraw/zinc/79/40/09/1169794009.db2.gz	OJGQAMYZBGKHIW-SNVBAGLBSA-N	-1	0	312.347	0.648	20	30		DCEDRM
CC[C@]1(C)CC(=O)N(CN2CCC(C#N)(C(=O)[O-])CC2)C1=O	ZINC001605134742	1169841601	/nfs/dbraw/zinc/84/16/01/1169841601.db2.gz	CXRJAORRFRZAMP-CQSZACIVSA-N	-1	0	307.350	0.809	20	30		DCEDRM
CCN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1nccnc1C#N	ZINC001605445076	1169923195	/nfs/dbraw/zinc/92/31/95/1169923195.db2.gz	JCXKYGUZXWPOKK-QWRGUYRKSA-N	-1	0	317.349	0.402	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(C#CCO)c1	ZINC001605622699	1169975630	/nfs/dbraw/zinc/97/56/30/1169975630.db2.gz	WJWXCZHBXNQRLL-CQSZACIVSA-N	-1	0	305.330	0.592	20	30		DCEDRM
CCc1noc2ncc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc12	ZINC001605880176	1170018913	/nfs/dbraw/zinc/01/89/13/1170018913.db2.gz	IHUSRLYYFKDOBD-UHFFFAOYSA-N	-1	0	324.318	0.384	20	30		DCEDRM
CCn1nc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)ccc1=O	ZINC001605934009	1170029829	/nfs/dbraw/zinc/02/98/29/1170029829.db2.gz	YIEXITWIYHJVEO-UHFFFAOYSA-N	-1	0	304.306	0.094	20	30		DCEDRM
CN(C)C(=O)N[C@@H]1CCCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001606002149	1170045800	/nfs/dbraw/zinc/04/58/00/1170045800.db2.gz	SJLPEQWDIIUJEW-SNVBAGLBSA-N	-1	0	317.349	0.891	20	30		DCEDRM
N#C[C@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)cc1F	ZINC001606344906	1170163445	/nfs/dbraw/zinc/16/34/45/1170163445.db2.gz	BSOVWJKJUPBMJY-VIFPVBQESA-N	-1	0	302.269	0.370	20	30		DCEDRM
COC(=O)C12CC(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)(C1)C2	ZINC001606356873	1170168764	/nfs/dbraw/zinc/16/87/64/1170168764.db2.gz	IXHYAFMNUIHBHC-UHFFFAOYSA-N	-1	0	306.318	0.547	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(C#N)[nH]c2C)C1	ZINC001606394381	1170182110	/nfs/dbraw/zinc/18/21/10/1170182110.db2.gz	ZNXLDSBVUKJVDN-BXKDBHETSA-N	-1	0	319.317	0.673	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@H](CCO)C2)nc1-c1nnn[n-]1	ZINC001606397175	1170183801	/nfs/dbraw/zinc/18/38/01/1170183801.db2.gz	KHIZJOKZKUFNNF-SECBINFHSA-N	-1	0	300.326	0.127	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(CC(=O)Nc2ccc(C#N)cc2)C1	ZINC001606703384	1170267490	/nfs/dbraw/zinc/26/74/90/1170267490.db2.gz	OSFRROSSEPTZIM-OAHLLOKOSA-N	-1	0	303.318	0.672	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1	ZINC001608174543	1170609357	/nfs/dbraw/zinc/60/93/57/1170609357.db2.gz	QFBOZNGKLSJPFV-LLVKDONJSA-N	-1	0	316.379	0.576	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1	ZINC001608181623	1170610478	/nfs/dbraw/zinc/61/04/78/1170610478.db2.gz	MTWZGIMIFWWGSR-SNVBAGLBSA-N	-1	0	316.317	0.871	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cnc(C2CCCC2)nc1N	ZINC001608183578	1170611513	/nfs/dbraw/zinc/61/15/13/1170611513.db2.gz	HXZWQCVWKMBDGC-UHFFFAOYSA-N	-1	0	303.322	0.767	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)Cc1oncc1C(=O)[O-]	ZINC001608182575	1170611598	/nfs/dbraw/zinc/61/15/98/1170611598.db2.gz	GOAUOYMNAOAHIB-UHFFFAOYSA-N	-1	0	308.338	0.421	20	30		DCEDRM
N#CCCN1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	ZINC001608184818	1170611891	/nfs/dbraw/zinc/61/18/91/1170611891.db2.gz	XXQZMRTWPILJBB-UHFFFAOYSA-N	-1	0	308.382	0.872	20	30		DCEDRM
N#CCN(CCC(=O)c1ccc2c(c1)OCCO2)CC(=O)[O-]	ZINC001608187683	1170612763	/nfs/dbraw/zinc/61/27/63/1170612763.db2.gz	BAYLZKRHOBBMIM-UHFFFAOYSA-N	-1	0	304.302	0.941	20	30		DCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)c1	ZINC001608196867	1170613716	/nfs/dbraw/zinc/61/37/16/1170613716.db2.gz	IJNKQTIPEPQYKG-UHFFFAOYSA-N	-1	0	310.306	0.935	20	30		DCEDRM
N#Cc1ccc(CSCC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC001608206504	1170614606	/nfs/dbraw/zinc/61/46/06/1170614606.db2.gz	YLSUGHZTUGCDCE-CHWSQXEVSA-N	-1	0	320.370	0.838	20	30		DCEDRM
N#Cc1ccc([C@@H](O)CN2CCC[C@H]2C(=O)NCC(=O)[O-])cc1	ZINC001608201894	1170615210	/nfs/dbraw/zinc/61/52/10/1170615210.db2.gz	HVRRUNQHZFMRDG-KBPBESRZSA-N	-1	0	317.345	0.257	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCNC[C@H](F)C(=O)[O-])cc1	ZINC001608209723	1170616241	/nfs/dbraw/zinc/61/62/41/1170616241.db2.gz	MTCOWKNHGFKULR-NSHDSACASA-N	-1	0	300.311	0.344	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC2CC(CCO)C2)c(C(=O)[O-])c1	ZINC001608210741	1170616259	/nfs/dbraw/zinc/61/62/59/1170616259.db2.gz	RUPIPGNMYGGBNA-UHFFFAOYSA-N	-1	0	324.358	0.696	20	30		DCEDRM
N#Cc1cccc(NC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)n1	ZINC001608217082	1170617063	/nfs/dbraw/zinc/61/70/63/1170617063.db2.gz	LIUCTRAOQUCFSC-UHFFFAOYSA-N	-1	0	313.277	0.332	20	30		DCEDRM
N#Cc1ccc(SCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC001608213570	1170617212	/nfs/dbraw/zinc/61/72/12/1170617212.db2.gz	RSWYSCRPDWKDEQ-LBPRGKRZSA-N	-1	0	306.343	0.962	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)CCn2ccnn2)C(=O)[O-])c1	ZINC001608216816	1170617296	/nfs/dbraw/zinc/61/72/96/1170617296.db2.gz	WEYKPXCIHUCVBO-ZDUSSCGKSA-N	-1	0	300.274	0.909	20	30		DCEDRM
N#Cc1ccncc1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001608220484	1170618153	/nfs/dbraw/zinc/61/81/53/1170618153.db2.gz	ACWYBILBJATCOD-SNVBAGLBSA-N	-1	0	312.289	0.330	20	30		DCEDRM
N#Cc1ccccc1OC[C@H](O)CN1CCO[C@@H](C(=O)[O-])C1	ZINC001608219098	1170618243	/nfs/dbraw/zinc/61/82/43/1170618243.db2.gz	JMANNEYXRUZQRI-TZMCWYRMSA-N	-1	0	306.318	0.083	20	30		DCEDRM
N#Cc1cccc([N+](=O)[O-])c1CN1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC001608220468	1170618781	/nfs/dbraw/zinc/61/87/81/1170618781.db2.gz	CTJQBKPQQLGVMI-GFCCVEGCSA-N	-1	0	318.289	0.242	20	30		DCEDRM
N#Cc1cnccc1N1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001608223138	1170619353	/nfs/dbraw/zinc/61/93/53/1170619353.db2.gz	VDYMGBMKPWZNTL-QWHCGFSZSA-N	-1	0	314.345	0.713	20	30		DCEDRM
C=C(C)COCCNS(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001609051467	1170793188	/nfs/dbraw/zinc/79/31/88/1170793188.db2.gz	AVVGLRGBOKFUHR-UHFFFAOYSA-N	-1	0	324.366	0.133	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C(=O)OCC)o1)C(=O)[O-]	ZINC001609089668	1170803991	/nfs/dbraw/zinc/80/39/91/1170803991.db2.gz	QJAKCBKAMOFZBD-QMMMGPOBSA-N	-1	0	315.303	0.211	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC001609105200	1170810590	/nfs/dbraw/zinc/81/05/90/1170810590.db2.gz	NXDBCHYOVPRHTM-NSHDSACASA-N	-1	0	311.359	0.746	20	30		DCEDRM
C#CCCCCNC(=O)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC001609106920	1170812240	/nfs/dbraw/zinc/81/22/40/1170812240.db2.gz	YORUOLZKZPCBBF-SECBINFHSA-N	-1	0	323.374	0.938	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)OCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC001609162234	1170835364	/nfs/dbraw/zinc/83/53/64/1170835364.db2.gz	OXCOZJWEZOQICT-JTQLQIEISA-N	-1	0	305.286	0.905	20	30		DCEDRM
CCCCn1nnnc1Cn1c(C)nc(-c2nnn[n-]2)c1C#N	ZINC001609212047	1170870622	/nfs/dbraw/zinc/87/06/22/1170870622.db2.gz	FUVAKLLQZHPYFN-UHFFFAOYSA-N	-1	0	313.329	0.078	20	30		DCEDRM
COC(=O)CCCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001609298387	1170923081	/nfs/dbraw/zinc/92/30/81/1170923081.db2.gz	TUWFOWYPZSWVDW-UHFFFAOYSA-N	-1	0	318.297	0.133	20	30		DCEDRM
C=CCNC(=O)CNC(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC001609398700	1170964543	/nfs/dbraw/zinc/96/45/43/1170964543.db2.gz	CGXURFIOXPIBID-UHFFFAOYSA-N	-1	0	307.306	0.817	20	30		DCEDRM
C=CCNC(=O)C[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1	ZINC001609398659	1170965324	/nfs/dbraw/zinc/96/53/24/1170965324.db2.gz	AFSSSQPYKDELJF-UONOGXRCSA-N	-1	0	304.346	0.794	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC001609452529	1170983489	/nfs/dbraw/zinc/98/34/89/1170983489.db2.gz	OPTYEZOBQWLRNG-ZDUSSCGKSA-N	-1	0	324.358	0.633	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001609489323	1170996361	/nfs/dbraw/zinc/99/63/61/1170996361.db2.gz	ZGBMIXHWGXUVQR-LBPRGKRZSA-N	-1	0	318.329	0.143	20	30		DCEDRM
C[C@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)n1cnc(C#N)n1	ZINC001609632389	1171055426	/nfs/dbraw/zinc/05/54/26/1171055426.db2.gz	NWLBYVYPNPWLKK-KOLCDFICSA-N	-1	0	311.301	0.926	20	30		DCEDRM
C[C@@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)n1cnc(C#N)n1	ZINC001609632391	1171055960	/nfs/dbraw/zinc/05/59/60/1171055960.db2.gz	NWLBYVYPNPWLKK-ONGXEEELSA-N	-1	0	311.301	0.926	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001609684193	1171065511	/nfs/dbraw/zinc/06/55/11/1171065511.db2.gz	YSUNBDXJGOSAMT-NFOMZHRRSA-N	-1	0	308.334	0.839	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001610000091	1171133277	/nfs/dbraw/zinc/13/32/77/1171133277.db2.gz	INNTYOISIDQMDG-NSHDSACASA-N	-1	0	315.395	0.653	20	30		DCEDRM
CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC(O)(CC#N)C1	ZINC001610078738	1171150856	/nfs/dbraw/zinc/15/08/56/1171150856.db2.gz	OBGPBSVZBAGWRF-UHFFFAOYSA-N	-1	0	314.319	0.189	20	30		DCEDRM
CN1C[C@H](C(=O)N(CC#N)CC(=O)[O-])c2ccccc2C1=O	ZINC001610128236	1171165110	/nfs/dbraw/zinc/16/51/10/1171165110.db2.gz	SCOVKBQTPTWHET-LBPRGKRZSA-N	-1	0	301.302	0.293	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)C#Cc1ccccc1	ZINC001610177222	1171187193	/nfs/dbraw/zinc/18/71/93/1171187193.db2.gz	UYAYJZJHOGDKJL-UONOGXRCSA-N	-1	0	315.325	0.903	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CN1CCSC[C@@H]1C#N	ZINC001610198020	1171195542	/nfs/dbraw/zinc/19/55/42/1171195542.db2.gz	ICRCWQYIIFRIDQ-QMMMGPOBSA-N	-1	0	310.335	0.266	20	30		DCEDRM
COCC[C@@H](NC(=O)Cc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001610255506	1171210634	/nfs/dbraw/zinc/21/06/34/1171210634.db2.gz	KFPBIVOSEYBJIL-CYBMUJFWSA-N	-1	0	306.318	0.737	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC001610257511	1171211828	/nfs/dbraw/zinc/21/18/28/1171211828.db2.gz	BWYMYMNCKGQBHM-UHFFFAOYSA-N	-1	0	316.310	0.685	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N(C)CCC#N	ZINC001610283830	1171216248	/nfs/dbraw/zinc/21/62/48/1171216248.db2.gz	UKYRNUDQYKMFSG-UHFFFAOYSA-N	-1	0	305.290	0.704	20	30		DCEDRM
N#Cc1ccc(-c2nnc(CN3C[C@@H](O)C[C@@H]3C(=O)[O-])o2)cc1	ZINC001610626182	1171271809	/nfs/dbraw/zinc/27/18/09/1171271809.db2.gz	NBDZSBVPVDSNGP-NWDGAFQWSA-N	-1	0	314.301	0.628	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])s1	ZINC001610629879	1171272289	/nfs/dbraw/zinc/27/22/89/1171272289.db2.gz	BMFVDKURYLQXTK-SCZZXKLOSA-N	-1	0	316.360	0.218	20	30		DCEDRM
N#Cc1cc(CN2CCC[C@H]2C(=O)NCC(=O)[O-])ccc1F	ZINC001610626411	1171272770	/nfs/dbraw/zinc/27/27/70/1171272770.db2.gz	SSPFNFLPHJDTAV-ZDUSSCGKSA-N	-1	0	305.309	0.863	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)[nH]1	ZINC001610626807	1171272946	/nfs/dbraw/zinc/27/29/46/1171272946.db2.gz	WCARBQFYENYQGZ-JTQLQIEISA-N	-1	0	314.305	0.653	20	30		DCEDRM
O=C([O-])c1ccc(C(=O)NCCNC(=O)C2N=CC=CC2=O)o1	ZINC001610884702	1171349955	/nfs/dbraw/zinc/34/99/55/1171349955.db2.gz	ZOFBOGXOJKRNEE-ACCUITESSA-N	-1	0	319.273	0.234	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2ccc([N+](=O)[O-])cc2)c1=O	ZINC001613878424	1171370482	/nfs/dbraw/zinc/37/04/82/1171370482.db2.gz	ABZFWPUSPJJQLJ-UHFFFAOYSA-N	-1	0	300.230	0.199	20	30		DCEDRM
C=C[C@H](COC)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001617154814	1171385515	/nfs/dbraw/zinc/38/55/15/1171385515.db2.gz	DRZUCQHVYCBUHG-LLVKDONJSA-N	-1	0	317.349	0.503	20	30		DCEDRM
CCCCO[C@@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001633550440	1171646580	/nfs/dbraw/zinc/64/65/80/1171646580.db2.gz	QXVRUHLXRAFQIO-JTQLQIEISA-N	-1	0	308.338	0.142	20	30		DCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1ncc(Br)cc1[O-]	ZINC001636353117	1171733289	/nfs/dbraw/zinc/73/32/89/1171733289.db2.gz	QXLPPGBYAXVFFF-LURJTMIESA-N	-1	0	316.111	0.270	20	30		DCEDRM
COC[C@@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)c1nnn[n-]1	ZINC001644689121	1172014427	/nfs/dbraw/zinc/01/44/27/1172014427.db2.gz	MEHZJGJGJYGYPU-GFCCVEGCSA-N	-1	0	311.305	0.670	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCC(=O)N(C)C)cc1C#N	ZINC001645526324	1172047500	/nfs/dbraw/zinc/04/75/00/1172047500.db2.gz	OSRXOZFXFOQOKQ-UHFFFAOYSA-N	-1	0	308.363	0.589	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ncc3c(F)cccn32)CC1	ZINC001646035493	1172226272	/nfs/dbraw/zinc/22/62/72/1172226272.db2.gz	OCFABHGOZINYDL-UHFFFAOYSA-N	-1	0	322.321	0.837	20	30		DCEDRM
C[C@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)Oc1ccccc1F	ZINC001646631034	1172448086	/nfs/dbraw/zinc/44/80/86/1172448086.db2.gz	CGGVJRHXIKZHAD-SECBINFHSA-N	-1	0	318.308	0.964	20	30		DCEDRM
CO[C@]1(C)C[C@@H](N(C)c2[n-]c(=O)n(C)c(=O)c2C#N)C1(C)C	ZINC001647632058	1173007218	/nfs/dbraw/zinc/00/72/18/1173007218.db2.gz	SUJXXMLBBJUUKF-MEBBXXQBSA-N	-1	0	306.366	0.585	20	30		DCEDRM
CCCCOCCOCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001650803200	1173732104	/nfs/dbraw/zinc/73/21/04/1173732104.db2.gz	BKAVFWAKAZFTKC-UHFFFAOYSA-N	-1	0	310.354	0.190	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@@H]2CC=CCC2)c(=O)[n-]c1=O	ZINC001669294525	1174917701	/nfs/dbraw/zinc/91/77/01/1174917701.db2.gz	QFLPVLKFLIUTDU-LLVKDONJSA-N	-1	0	303.322	0.228	20	30		DCEDRM
N#CCNC[C@@H]1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001676965121	1175507985	/nfs/dbraw/zinc/50/79/85/1175507985.db2.gz	KQUWWTWLNKMFDV-ZJUUUORDSA-N	-1	0	315.333	0.940	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001680780059	1175854786	/nfs/dbraw/zinc/85/47/86/1175854786.db2.gz	KTLZNDCZLFOTGC-LLVKDONJSA-N	-1	0	324.381	0.329	20	30		DCEDRM
C=CCCC(=O)NC[C@@H](CC)NC(=O)c1cnc([O-])n(C)c1=O	ZINC001688726629	1176600837	/nfs/dbraw/zinc/60/08/37/1176600837.db2.gz	AJFGRKAGLPMKBI-SNVBAGLBSA-N	-1	0	322.365	0.077	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001689708387	1177012938	/nfs/dbraw/zinc/01/29/38/1177012938.db2.gz	FNRWIEDLLOJVMR-HNNXBMFYSA-N	-1	0	322.365	0.347	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@H]2C[C@H](CNCC#N)C2)cc1=O	ZINC001700633604	1178685972	/nfs/dbraw/zinc/68/59/72/1178685972.db2.gz	GOJJJYVIXFWUFL-JOCQHMNTSA-N	-1	0	319.409	0.383	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNC(=O)C#CC(C)C)c1[O-]	ZINC001705015704	1180224176	/nfs/dbraw/zinc/22/41/76/1180224176.db2.gz	VBSQOIOFWSYIFV-PLNGDYQASA-N	-1	0	304.350	0.485	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001705099284	1180259782	/nfs/dbraw/zinc/25/97/82/1180259782.db2.gz	IQRKMHZCPXHEGB-KOLCDFICSA-N	-1	0	324.381	0.639	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001705099285	1180260077	/nfs/dbraw/zinc/26/00/77/1180260077.db2.gz	IQRKMHZCPXHEGB-MWLCHTKSSA-N	-1	0	324.381	0.639	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)C#CC(C)C)C2)c1[O-]	ZINC001705329770	1180348344	/nfs/dbraw/zinc/34/83/44/1180348344.db2.gz	GACCQLGXVHAHFP-UHFFFAOYSA-N	-1	0	304.350	0.366	20	30		DCEDRM
CN(C(=O)C#CC1CC1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001713052995	1180651692	/nfs/dbraw/zinc/65/16/92/1180651692.db2.gz	UFXQRINOUCIDKI-UHFFFAOYSA-N	-1	0	303.366	0.347	20	30		DCEDRM
C=CCCC(=O)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001715310858	1181768980	/nfs/dbraw/zinc/76/89/80/1181768980.db2.gz	KEYBGSYZQJTRDR-UHFFFAOYSA-N	-1	0	305.382	0.901	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21	ZINC001720877722	1183748630	/nfs/dbraw/zinc/74/86/30/1183748630.db2.gz	OXSTUDXVBYDQLD-PJXYFTJBSA-N	-1	0	318.377	0.967	20	30		DCEDRM
O=C(C#CC1CC1)N[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001725586942	1184898946	/nfs/dbraw/zinc/89/89/46/1184898946.db2.gz	ASIROAUVKLZODY-WBMJQRKESA-N	-1	0	315.377	0.537	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C	ZINC001725621335	1184916316	/nfs/dbraw/zinc/91/63/16/1184916316.db2.gz	JNTVGHKEAFRHTM-RYUDHWBXSA-N	-1	0	305.382	0.783	20	30		DCEDRM
C=CCC1(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)CCC1	ZINC001733260401	1186205907	/nfs/dbraw/zinc/20/59/07/1186205907.db2.gz	YKUAYJQPMLBIGZ-UHFFFAOYSA-N	-1	0	305.382	0.995	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001734774997	1186740884	/nfs/dbraw/zinc/74/08/84/1186740884.db2.gz	NELILOIRINKUPQ-VIFPVBQESA-N	-1	0	323.353	0.216	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001737655656	1187381282	/nfs/dbraw/zinc/38/12/82/1187381282.db2.gz	XBVYYYAXXCINNX-KOLCDFICSA-N	-1	0	322.365	0.087	20	30		DCEDRM
C=CCOCC(=O)N(C)C[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001738796643	1187655712	/nfs/dbraw/zinc/65/57/12/1187655712.db2.gz	ZSXYKGMDMZGOIH-VIFPVBQESA-N	-1	0	310.354	0.203	20	30		DCEDRM
C=C[C@H](CC)CC(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001744711790	1188229366	/nfs/dbraw/zinc/22/93/66/1188229366.db2.gz	VTUJWSSSWRQIFD-DTWKUNHWSA-N	-1	0	323.353	0.120	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001752320400	1188413383	/nfs/dbraw/zinc/41/33/83/1188413383.db2.gz	HYRPJNKMQBETIZ-NSHDSACASA-N	-1	0	305.382	0.640	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001755333709	1189085023	/nfs/dbraw/zinc/08/50/23/1189085023.db2.gz	OGHAKOPCYOJJMA-UHFFFAOYSA-N	-1	0	323.397	0.166	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1C#N)[C@H]1CCOC1	ZINC001771780237	1190496632	/nfs/dbraw/zinc/49/66/32/1190496632.db2.gz	UMLVSHHNBMSWQB-AAEUAGOBSA-N	-1	0	324.358	0.415	20	30		DCEDRM
CC(C)[C@H]1C[C@H](CNc2[n-]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001772116868	1190611153	/nfs/dbraw/zinc/61/11/53/1190611153.db2.gz	HHNGZRXPJVUPAI-ZYHUDNBSSA-N	-1	0	306.366	0.808	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCN(C)c2ccc(C#N)nc2)c1[O-]	ZINC001105361906	747154210	/nfs/dbraw/zinc/15/42/10/747154210.db2.gz	RQCWUSIABDDQET-UHFFFAOYSA-N	-1	0	314.349	0.899	20	30		DCEDRM
C#C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C1CCOCC1	ZINC001167413903	747169458	/nfs/dbraw/zinc/16/94/58/747169458.db2.gz	MWZQKRCRPJNDHZ-NSHDSACASA-N	-1	0	308.338	0.014	20	30		DCEDRM
C=C[C@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC001167527149	747354866	/nfs/dbraw/zinc/35/48/66/747354866.db2.gz	KWONZTWFFWTPLK-AWEZNQCLSA-N	-1	0	324.340	0.907	20	30		DCEDRM
COC(=O)[C@H](CS)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001167621973	747432682	/nfs/dbraw/zinc/43/26/82/747432682.db2.gz	OOBJKVAXGAMWRE-QMMMGPOBSA-N	-1	0	316.360	0.002	20	30		DCEDRM
C=C[C@H](CO)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC001167654590	747450945	/nfs/dbraw/zinc/45/09/45/747450945.db2.gz	KGRSRRKMUKEEIM-SECBINFHSA-N	-1	0	305.359	0.499	20	30		DCEDRM
N#CCNCC1(CCNC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC001167724355	747908794	/nfs/dbraw/zinc/90/87/94/747908794.db2.gz	NWWJKKXNNUSPLF-UHFFFAOYSA-N	-1	0	315.333	0.942	20	30		DCEDRM
C[C@H]1[C@H](Nc2cc(F)cc(CC#N)c2)C(=O)N1S(=O)(=O)[O-]	ZINC001167862132	748446065	/nfs/dbraw/zinc/44/60/65/748446065.db2.gz	PONVTFHEKVVRDG-CPCISQLKSA-N	-1	0	313.310	0.706	20	30		DCEDRM
C=CC(=O)OC[C@H](COC(=O)C(=C)C)OCCS(=O)(=O)[O-]	ZINC001224568589	750130956	/nfs/dbraw/zinc/13/09/56/750130956.db2.gz	LWBXPSKRVQBIAD-SNVBAGLBSA-N	-1	0	322.335	0.108	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC1CC2(C1)OCCO2	ZINC001224631873	750158140	/nfs/dbraw/zinc/15/81/40/750158140.db2.gz	RIOLRMXDDITFFN-LBPRGKRZSA-N	-1	0	322.379	0.615	20	30		DCEDRM
C=C(Cl)CN1CC[C@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001046449511	753728573	/nfs/dbraw/zinc/72/85/73/753728573.db2.gz	GRQPKAJAPBTBMN-LBPRGKRZSA-N	-1	0	313.745	0.230	20	30		DCEDRM
N#CCN1C[C@@H]2CN(C(=O)c3n[n-]c4ccccc4c3=O)C[C@@H]2C1	ZINC001049091800	755112472	/nfs/dbraw/zinc/11/24/72/755112472.db2.gz	SBKQFFLBPIURSK-TXEJJXNPSA-N	-1	0	323.356	0.863	20	30		DCEDRM
C=C(C)CCC(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-]	ZINC001057357040	757634513	/nfs/dbraw/zinc/63/45/13/757634513.db2.gz	GUBVEOSYYILARJ-UHFFFAOYSA-N	-1	0	324.381	0.331	20	30		DCEDRM
C=CCCCC(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-]	ZINC001057356923	757634760	/nfs/dbraw/zinc/63/47/60/757634760.db2.gz	GAAFMRCUVBZOCJ-UHFFFAOYSA-N	-1	0	324.381	0.331	20	30		DCEDRM
CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cc(C#N)c[nH]1	ZINC001085534986	759014321	/nfs/dbraw/zinc/01/43/21/759014321.db2.gz	XLJLFKIVAGKRBU-JTQLQIEISA-N	-1	0	315.337	0.057	20	30		DCEDRM
C=CCN1CCN([C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C2)CC1	ZINC001052013882	759113341	/nfs/dbraw/zinc/11/33/41/759113341.db2.gz	ARNPGWBYQKZCAD-CYBMUJFWSA-N	-1	0	319.409	0.442	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CNc2nc(C)cc(C#N)n2)c1[O-]	ZINC001108314172	760375534	/nfs/dbraw/zinc/37/55/34/760375534.db2.gz	USKYGBPMAPTTHE-QMMMGPOBSA-N	-1	0	315.337	0.624	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)c2cncc(C#N)n2)c1[O-]	ZINC001108901328	761128532	/nfs/dbraw/zinc/12/85/32/761128532.db2.gz	KDMXIYYGQAHKPT-QMMMGPOBSA-N	-1	0	315.337	0.340	20	30		DCEDRM
CCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1cncc(C#N)n1	ZINC001100503398	763618244	/nfs/dbraw/zinc/61/82/44/763618244.db2.gz	YWJXQGPXVBSBHY-UHFFFAOYSA-N	-1	0	315.337	0.342	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@H](C)C[C@H](C)NCC#N)cc1=O	ZINC001134912509	765732699	/nfs/dbraw/zinc/73/26/99/765732699.db2.gz	ABNKIICXYHEZIA-QWHCGFSZSA-N	-1	0	321.425	0.771	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCOc2ccccc2)c(=O)[n-]c1=O	ZINC001135624510	766014612	/nfs/dbraw/zinc/01/46/12/766014612.db2.gz	JETSTHRYEXWMCD-UHFFFAOYSA-N	-1	0	314.301	0.016	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N(CC#N)CC#N)cc2=O)n1	ZINC001136559558	766344596	/nfs/dbraw/zinc/34/45/96/766344596.db2.gz	COMYJCVXURORFT-UHFFFAOYSA-N	-1	0	311.305	0.062	20	30		DCEDRM
C#CCN(CC1CC1)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC001118967458	766490364	/nfs/dbraw/zinc/49/03/64/766490364.db2.gz	BIVSGQGCERKEND-UHFFFAOYSA-N	-1	0	307.375	0.939	20	30		DCEDRM
C=CCC(C)(C)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001119581880	766739288	/nfs/dbraw/zinc/73/92/88/766739288.db2.gz	OLQOQQOBQZUGSZ-INIZCTEOSA-N	-1	0	310.394	0.977	20	30		DCEDRM
C/C=C/C=C/C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001144009028	766763160	/nfs/dbraw/zinc/76/31/60/766763160.db2.gz	YKWAGRLDTZANPG-KCLDPONSSA-N	-1	0	324.339	0.661	20	30		DCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)/C=C/C(=O)c1ccccc1	ZINC001144714064	767014039	/nfs/dbraw/zinc/01/40/39/767014039.db2.gz	JLLRMSSGESAXJZ-BCPZQOPPSA-N	-1	0	319.313	0.948	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C[S@](C)=O)c1	ZINC001122625250	767845936	/nfs/dbraw/zinc/84/59/36/767845936.db2.gz	NSDVDKAAXDEJJB-DMZKTXOQSA-N	-1	0	322.386	0.650	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C12CCC2	ZINC001202845774	768428590	/nfs/dbraw/zinc/42/85/90/768428590.db2.gz	FDFPARJPWHQNGV-NEPJUHHUSA-N	-1	0	317.393	0.831	20	30		DCEDRM
Cc1ccc(C(=O)C=CC(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC001139477820	768477507	/nfs/dbraw/zinc/47/75/07/768477507.db2.gz	XSFBJPQLEZVDPA-VOTSOKGWSA-N	-1	0	301.302	0.769	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2ccc3[nH]cnc3c2)c(=O)[n-]c1=O	ZINC001141229003	768572802	/nfs/dbraw/zinc/57/28/02/768572802.db2.gz	MMIIFQYTPUCQFG-UHFFFAOYSA-N	-1	0	324.300	0.013	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCNc2nc(C)cc(C#N)n2)c1[O-]	ZINC001093585634	768639213	/nfs/dbraw/zinc/63/92/13/768639213.db2.gz	QJHIIUXREHAOIG-UHFFFAOYSA-N	-1	0	301.310	0.236	20	30		DCEDRM
N=C(NC(=O)C#Cc1ccccc1)SCCS(=O)(=O)[O-]	ZINC001142862844	768669758	/nfs/dbraw/zinc/66/97/58/768669758.db2.gz	VUDPXPVRSIEAFW-UHFFFAOYSA-N	-1	0	312.372	0.710	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NCC2CC=CC2)c(=O)[n-]c1=O	ZINC001231074053	769165879	/nfs/dbraw/zinc/16/58/79/769165879.db2.gz	JEOZOEAEUIABGF-UHFFFAOYSA-N	-1	0	303.322	0.086	20	30		DCEDRM
CO[C@]1(C(=O)[N-]Oc2cccc(C#N)c2)CCS(=O)(=O)C1	ZINC001151437058	769341743	/nfs/dbraw/zinc/34/17/43/769341743.db2.gz	GKNPIYNTADEIJQ-CYBMUJFWSA-N	-1	0	310.331	0.172	20	30		DCEDRM
N#C[C@@H]1CNCCN1C(=O)c1sc(C(=O)[O-])c2c1OCCO2	ZINC001152700499	769625379	/nfs/dbraw/zinc/62/53/79/769625379.db2.gz	GYFWCDHLIBVLPO-SSDOTTSWSA-N	-1	0	323.330	0.155	20	30		DCEDRM
Cn1nnc2c(C(=O)[N-]c3ccsc3C#N)ncn2c1=O	ZINC001152747442	769632471	/nfs/dbraw/zinc/63/24/71/769632471.db2.gz	RUVBCQDWKUAQDX-UHFFFAOYSA-N	-1	0	301.291	0.008	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)CN2CCCCC(=O)C2=O)c1	ZINC001152999727	769691167	/nfs/dbraw/zinc/69/11/67/769691167.db2.gz	GNPVCVSTHNBXGW-UHFFFAOYSA-N	-1	0	301.302	0.784	20	30		DCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC001175923113	769991988	/nfs/dbraw/zinc/99/19/88/769991988.db2.gz	KHGCYWWTMAOHEM-VIFPVBQESA-N	-1	0	314.363	0.097	20	30		DCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)C(C#N)Cc1cccs1	ZINC001177915671	770575214	/nfs/dbraw/zinc/57/52/14/770575214.db2.gz	PHAUHOMZHSKAPN-KOLCDFICSA-N	-1	0	324.358	0.953	20	30		DCEDRM
N#Cc1nc(N)c(NC(=O)CCC(=O)C2=CC=C[CH]2)nc1C#N	ZINC001184240863	771762144	/nfs/dbraw/zinc/76/21/44/771762144.db2.gz	GIOVLIQOLBLLHT-UHFFFAOYSA-N	-1	0	307.293	0.790	20	30		DCEDRM
CCOC(=O)CC1(NC(=O)CCC(=O)C2=CC=C[CH]2)COC1	ZINC001184245814	771763208	/nfs/dbraw/zinc/76/32/08/771763208.db2.gz	CAYXDHGGEYGNHI-UHFFFAOYSA-N	-1	0	306.338	0.875	20	30		DCEDRM
N#Cc1c(Cl)cc(C(=O)NCS(=O)(=O)[O-])nc1Cl	ZINC001184813078	771830772	/nfs/dbraw/zinc/83/07/72/771830772.db2.gz	LYXKZKJORHPXLD-UHFFFAOYSA-N	-1	0	310.118	0.835	20	30		DCEDRM
COc1ccc(S(=O)(=O)N2CC(CC#N)C2)cc1C(=O)[O-]	ZINC001185260696	771893247	/nfs/dbraw/zinc/89/32/47/771893247.db2.gz	UJXHKWGXSRWEQE-UHFFFAOYSA-N	-1	0	310.331	0.928	20	30		DCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c1C#N	ZINC001185953659	771974687	/nfs/dbraw/zinc/97/46/87/771974687.db2.gz	IJEKFRFMOCEILQ-UHFFFAOYSA-N	-1	0	302.319	0.969	20	30		DCEDRM
C=CCCCC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21	ZINC001188999577	772399443	/nfs/dbraw/zinc/39/94/43/772399443.db2.gz	STYRKUFQIWITTR-QWHCGFSZSA-N	-1	0	319.409	0.497	20	30		DCEDRM
Cc1cnc(N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])cn1	ZINC001163066507	772452605	/nfs/dbraw/zinc/45/26/05/772452605.db2.gz	TXZOLVHYLWZWRT-JTQLQIEISA-N	-1	0	322.327	0.305	20	30		DCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cccc(C#N)c1F	ZINC001190554518	772642120	/nfs/dbraw/zinc/64/21/20/772642120.db2.gz	HCQHYEONTXSIQY-JTQLQIEISA-N	-1	0	308.265	0.834	20	30		DCEDRM
C[C@H](C#N)N(C)C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-]	ZINC001191024863	772709471	/nfs/dbraw/zinc/70/94/71/772709471.db2.gz	COHXBPAXJJBNNU-ZCFIWIBFSA-N	-1	0	317.754	0.677	20	30		DCEDRM
CCCCCCCNC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C	ZINC001191115335	772721211	/nfs/dbraw/zinc/72/12/11/772721211.db2.gz	GJYHLGLWPOPXJD-UWVGGRQHSA-N	-1	0	321.399	0.658	20	30		DCEDRM
CCOC(=O)C(C#N)[N-]S(=O)(=O)C(Cl)(Cl)Cl	ZINC001192050533	772857320	/nfs/dbraw/zinc/85/73/20/772857320.db2.gz	VWYMGSMELIRCHT-SCSAIBSYSA-N	-1	0	309.558	0.689	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1c(Br)cccc1C(N)=O	ZINC001192980998	772992389	/nfs/dbraw/zinc/99/23/89/772992389.db2.gz	VYBQFZRMRXNLCI-UHFFFAOYSA-N	-1	0	318.152	0.813	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1S(C)(=O)=O	ZINC001193158848	773019791	/nfs/dbraw/zinc/01/97/91/773019791.db2.gz	VHAKCYBMKWMIIX-ZETCQYMHSA-N	-1	0	306.340	0.883	20	30		DCEDRM
N#Cc1ccc(C(=O)NCCNC(=O)c2ccncc2)c([O-])c1	ZINC001195765211	773471085	/nfs/dbraw/zinc/47/10/85/773471085.db2.gz	XKLDTTMWVRVKFE-UHFFFAOYSA-N	-1	0	310.313	0.819	20	30		DCEDRM
C=CC[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000159725178	773517245	/nfs/dbraw/zinc/51/72/45/773517245.db2.gz	PRZFNNHRBOWDMF-SNVBAGLBSA-N	-1	0	313.335	0.485	20	30		DCEDRM
N#Cc1c(N)nc(=NC2CC2)n(-c2ccc(F)c([O-])c2)c1N	ZINC001211214785	773781728	/nfs/dbraw/zinc/78/17/28/773781728.db2.gz	KCGBHLSKOJFXJM-UHFFFAOYSA-N	-1	0	300.297	0.816	20	30		DCEDRM
[NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)C1=CC=CC1	ZINC001199702038	774185970	/nfs/dbraw/zinc/18/59/70/774185970.db2.gz	YIWCPNVMWSIFRG-SNVBAGLBSA-N	-1	0	322.323	0.415	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ccc(C#N)cn1	ZINC001222982184	775448623	/nfs/dbraw/zinc/44/86/23/775448623.db2.gz	PSMJBUSUSIGCMB-ZDUSSCGKSA-N	-1	0	312.347	0.929	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cncc(C#N)c1	ZINC001224138657	775539537	/nfs/dbraw/zinc/53/95/37/775539537.db2.gz	KLIDJAINPGBZCS-ZDUSSCGKSA-N	-1	0	312.347	0.929	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC1CC(OC)(OC)C1	ZINC001224623913	775590758	/nfs/dbraw/zinc/59/07/58/775590758.db2.gz	UPGVGASJVVHSEM-GFCCVEGCSA-N	-1	0	324.395	0.861	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2nncc(=O)[n-]2)C1	ZINC001226167572	775775606	/nfs/dbraw/zinc/77/56/06/775775606.db2.gz	GMKYFXBJWBMMRS-RKDXNWHRSA-N	-1	0	307.310	0.715	20	30		DCEDRM
C#C[C@@H](Oc1[n-]c(=O)ncc1Br)C(=O)OCC	ZINC001227137164	775935257	/nfs/dbraw/zinc/93/52/57/775935257.db2.gz	FVVBZBGBGWPLFB-SSDOTTSWSA-N	-1	0	301.096	0.888	20	30		DCEDRM
N#Cc1cccnc1N1CCC(Oc2nc(=O)[n-]c(=O)[nH]2)CC1	ZINC001227570483	775987194	/nfs/dbraw/zinc/98/71/94/775987194.db2.gz	LJKLWGSJKRKFEA-UHFFFAOYSA-N	-1	0	314.305	0.597	20	30		DCEDRM
C=C[C@H](Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-])C(=O)OC	ZINC001227629781	775992798	/nfs/dbraw/zinc/99/27/98/775992798.db2.gz	YFOPXIUEIKBARW-YFKPBYRVSA-N	-1	0	301.280	0.919	20	30		DCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1[n-]c(=O)nc2ncn(C)c21	ZINC001228676609	776112490	/nfs/dbraw/zinc/11/24/90/776112490.db2.gz	JXJROYKYAUTDOT-MRVPVSSYSA-N	-1	0	305.294	0.683	20	30		DCEDRM
C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1ncnc(=O)[n-]1	ZINC001229605676	776204667	/nfs/dbraw/zinc/20/46/67/776204667.db2.gz	GJEYGOSMDPFFQX-VIFPVBQESA-N	-1	0	309.278	0.173	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccn(C)c(=O)c1	ZINC001229676660	776211930	/nfs/dbraw/zinc/21/19/30/776211930.db2.gz	PLPMPJHYXUFXHG-LLVKDONJSA-N	-1	0	303.336	0.223	20	30		DCEDRM
N#Cc1ccsc1C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001601129847	1168591078	/nfs/dbraw/zinc/59/10/78/1168591078.db2.gz	WCZUAGSAKPIHOC-SECBINFHSA-N	-1	0	308.315	0.852	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C	ZINC001602684229	1169158213	/nfs/dbraw/zinc/15/82/13/1169158213.db2.gz	ZVHVUULGJHLVRC-LBPRGKRZSA-N	-1	0	311.359	0.664	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1	ZINC001602721124	1169172318	/nfs/dbraw/zinc/17/23/18/1169172318.db2.gz	WZNDDYNAEZWXPS-HZSPNIEDSA-N	-1	0	308.378	0.613	20	30		DCEDRM
C=C[C@@H](O)C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001602820941	1169188135	/nfs/dbraw/zinc/18/81/35/1169188135.db2.gz	QTWURUODDBBYQP-DTWKUNHWSA-N	-1	0	310.331	0.215	20	30		DCEDRM
C=CCCOCC(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001266551747	939161144	/nfs/dbraw/zinc/16/11/44/939161144.db2.gz	YRZWUIMKSZRISQ-NSHDSACASA-N	-1	0	309.370	0.041	20	30		DCEDRM
CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001481379833	939765242	/nfs/dbraw/zinc/76/52/42/939765242.db2.gz	LGPNVHVZLTVWCN-TXEJJXNPSA-N	-1	0	317.393	0.735	20	30		DCEDRM
CCN(C(=O)C#CC1CC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001269325106	940682945	/nfs/dbraw/zinc/68/29/45/940682945.db2.gz	VHKIQMGICPPZRR-GFCCVEGCSA-N	-1	0	303.366	0.347	20	30		DCEDRM
C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc([O-])[nH]c(=O)c1	ZINC001269381601	940695784	/nfs/dbraw/zinc/69/57/84/940695784.db2.gz	QAWDJXOVDZXDJR-VXGBXAGGSA-N	-1	0	317.345	0.884	20	30		DCEDRM
COC(=O)C[C@@H]1COCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001413039073	942224420	/nfs/dbraw/zinc/22/44/20/942224420.db2.gz	GUFSXYVKLMHGBV-LLVKDONJSA-N	-1	0	319.317	0.371	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N1CCCc2nc(C#N)ccc21	ZINC001601000911	970900277	/nfs/dbraw/zinc/90/02/77/970900277.db2.gz	RWJFUAFJBKTKGQ-UHFFFAOYSA-N	-1	0	311.301	0.978	20	30		DCEDRM
Cn1nc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1Br	ZINC001413198696	942555736	/nfs/dbraw/zinc/55/57/36/942555736.db2.gz	YVKVIJFIVSVPNX-UHFFFAOYSA-N	-1	0	320.110	0.901	20	30		DCEDRM
C[C@H]1CCC[C@@]1(C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413309977	942621399	/nfs/dbraw/zinc/62/13/99/942621399.db2.gz	PZXIBDNORJVCMY-ZUZCIYMTSA-N	-1	0	304.350	0.763	20	30		DCEDRM
C[C@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1cccs1	ZINC001413313859	942623856	/nfs/dbraw/zinc/62/38/56/942623856.db2.gz	ZNZNEVCPXKUFOQ-VIFPVBQESA-N	-1	0	318.358	0.802	20	30		DCEDRM
N#Cc1ccc(-n2nccc2NC(=O)COCC(=O)[O-])cc1	ZINC001601093103	970930800	/nfs/dbraw/zinc/93/08/00/970930800.db2.gz	PXCGAZVGTVMYLA-UHFFFAOYSA-N	-1	0	300.274	0.784	20	30		DCEDRM
Cc1cccc(NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001413502021	943027174	/nfs/dbraw/zinc/02/71/74/943027174.db2.gz	JIRPRKQVFRPULB-UHFFFAOYSA-N	-1	0	313.317	0.951	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Nc2nccs2)c(=O)[n-]c1=O	ZINC001413509742	943033548	/nfs/dbraw/zinc/03/35/48/943033548.db2.gz	MUKRJDYVBGQNHS-UHFFFAOYSA-N	-1	0	306.307	0.099	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)c1[O-]	ZINC001056171455	943239741	/nfs/dbraw/zinc/23/97/41/943239741.db2.gz	FUIBMMAVLQEZFL-PJXYFTJBSA-N	-1	0	324.344	0.555	20	30		DCEDRM
C#CCN1C(=O)COCC12CN(Cc1ccc(C(=O)[O-])o1)C2	ZINC001272757854	944213676	/nfs/dbraw/zinc/21/36/76/944213676.db2.gz	DZJXJGHZBMYTHV-UHFFFAOYSA-N	-1	0	304.302	0.024	20	30		DCEDRM
CC(C)(C)c1ccc(N=NCc2cn(CC(=O)[O-])nn2)nn1	ZINC001319238646	945529203	/nfs/dbraw/zinc/52/92/03/945529203.db2.gz	GIXVRICTBXAQFB-UHFFFAOYSA-N	-1	0	303.326	0.896	20	30		DCEDRM
C=C(C)c1cn(CCOCCOCCOCCC(=O)[O-])nn1	ZINC001254089844	946312999	/nfs/dbraw/zinc/31/29/99/946312999.db2.gz	SXQPVPGMHFNEFX-UHFFFAOYSA-N	-1	0	313.354	0.836	20	30		DCEDRM
N#Cc1ccc(-c2cn(CCOCCOCC(=O)[O-])nn2)cc1	ZINC001254089977	946314401	/nfs/dbraw/zinc/31/44/01/946314401.db2.gz	BNQYNBJTKNTXGH-UHFFFAOYSA-N	-1	0	316.317	0.935	20	30		DCEDRM
C#CCN(C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)C(C)C	ZINC001602675635	971251804	/nfs/dbraw/zinc/25/18/04/971251804.db2.gz	FPJCOTAEYWMEKN-LBPRGKRZSA-N	-1	0	309.366	0.505	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC001602684062	971277565	/nfs/dbraw/zinc/27/75/65/971277565.db2.gz	PEISVCDNKIKHFI-GFCCVEGCSA-N	-1	0	321.377	0.649	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1cncc(C(N)=O)c1	ZINC001258201434	946809620	/nfs/dbraw/zinc/80/96/20/946809620.db2.gz	BDYFHIYIOVSJTO-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1ncccc1C(N)=O	ZINC001258201861	946810497	/nfs/dbraw/zinc/81/04/97/946810497.db2.gz	NZOUJHNFWXNEOU-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)n1	ZINC001259377485	946951195	/nfs/dbraw/zinc/95/11/95/946951195.db2.gz	AEJCGUWXFNTADZ-UHFFFAOYSA-N	-1	0	317.286	0.996	20	30		DCEDRM
C#CCN(CC(=O)[O-])Cc1c(C)nn(CCC(=O)OC)c1C	ZINC001602695586	971308593	/nfs/dbraw/zinc/30/85/93/971308593.db2.gz	LFPCWAFWJKSUNW-UHFFFAOYSA-N	-1	0	307.350	0.583	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)N(C)Cc1ccc(OC)cc1	ZINC001602695655	971310143	/nfs/dbraw/zinc/31/01/43/971310143.db2.gz	OHJLNWUTDZWRHZ-UHFFFAOYSA-N	-1	0	304.346	0.673	20	30		DCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)C1CCOCC1	ZINC001259908442	947014117	/nfs/dbraw/zinc/01/41/17/947014117.db2.gz	OANMWBAOTLDDCV-UHFFFAOYSA-N	-1	0	323.378	0.933	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2CC=CC2)n1CCOC	ZINC001602701024	971325054	/nfs/dbraw/zinc/32/50/54/971325054.db2.gz	SHHMGCDAHAXDLI-UHFFFAOYSA-N	-1	0	304.350	0.882	20	30		DCEDRM
C#Cc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccn1	ZINC001260435327	947102002	/nfs/dbraw/zinc/10/20/02/947102002.db2.gz	NSGXDOHREXXDLI-UHFFFAOYSA-N	-1	0	300.299	0.822	20	30		DCEDRM
Cc1ccc(C)c([N-]S(=O)(=O)CS(C)(=O)=O)c1C#N	ZINC001260593624	947121685	/nfs/dbraw/zinc/12/16/85/947121685.db2.gz	WGKZDSSZBWWIDP-UHFFFAOYSA-N	-1	0	302.377	0.919	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1ccc(C#N)c(F)c1F	ZINC001260591970	947122567	/nfs/dbraw/zinc/12/25/67/947122567.db2.gz	VWHJXBVGCNTGPU-UHFFFAOYSA-N	-1	0	310.303	0.580	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OCC2CC2)nc1	ZINC001323963113	947267023	/nfs/dbraw/zinc/26/70/23/947267023.db2.gz	UNRZGFJFRAGYQC-UHFFFAOYSA-N	-1	0	308.359	0.953	20	30		DCEDRM
C=C(Cl)CN(C)C[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001411157831	947409932	/nfs/dbraw/zinc/40/99/32/947409932.db2.gz	GCMQGQBYWRDCEZ-JTQLQIEISA-N	-1	0	316.789	0.541	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1	ZINC001324538550	947451178	/nfs/dbraw/zinc/45/11/78/947451178.db2.gz	FCJMAKITBWINNV-UHFFFAOYSA-N	-1	0	318.301	0.802	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C(CC)(CC)C(=O)[O-])C(=O)OC	ZINC001602723076	971393051	/nfs/dbraw/zinc/39/30/51/971393051.db2.gz	KFWTUJAUULOTPK-JTQLQIEISA-N	-1	0	301.339	0.738	20	30		DCEDRM
C=CCn1c([C@H](C)CO)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001602729719	971400588	/nfs/dbraw/zinc/40/05/88/971400588.db2.gz	CSRTYLOYBXPQMV-UEKVPHQBSA-N	-1	0	322.365	0.097	20	30		DCEDRM
C=CCn1c(-c2c[nH]oc2=O)nnc1N1CC[NH+](CC)CC1	ZINC001262962427	947790368	/nfs/dbraw/zinc/79/03/68/947790368.db2.gz	MSMIOJSUOYPIEX-UHFFFAOYSA-N	-1	0	304.354	0.967	20	30		DCEDRM
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1C(=O)N=CN=C1[O-]	ZINC001179581134	947876497	/nfs/dbraw/zinc/87/64/97/947876497.db2.gz	GLDKFBVGUVMPRK-QMMMGPOBSA-N	-1	0	322.321	0.743	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1	ZINC001325718223	947893954	/nfs/dbraw/zinc/89/39/54/947893954.db2.gz	RJMJTKKJYKZRGZ-STQMWFEESA-N	-1	0	324.377	0.503	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1	ZINC001325718218	947894398	/nfs/dbraw/zinc/89/43/98/947894398.db2.gz	RJMJTKKJYKZRGZ-CHWSQXEVSA-N	-1	0	324.377	0.503	20	30		DCEDRM
N#CCCn1ccc(NC(=O)C(=O)[N-]O[C@H]2CCCCO2)n1	ZINC001326117040	948059872	/nfs/dbraw/zinc/05/98/72/948059872.db2.gz	MFJFTLYHABVIPP-NSHDSACASA-N	-1	0	307.310	0.310	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(N(C)C(C)=O)nc1	ZINC001326484524	948177722	/nfs/dbraw/zinc/17/77/22/948177722.db2.gz	SIMCZMJUSFOZEJ-SECBINFHSA-N	-1	0	306.322	0.625	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)N1CCc2ccc(C#N)cc21)C(=O)[O-]	ZINC001327842615	948641002	/nfs/dbraw/zinc/64/10/02/948641002.db2.gz	ZFMCTLDMIYXJTH-SNVBAGLBSA-N	-1	0	315.329	0.626	20	30		DCEDRM
C#CCCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1	ZINC001264086554	948870559	/nfs/dbraw/zinc/87/05/59/948870559.db2.gz	LMHLFKGRTKKQEM-OLZOCXBDSA-N	-1	0	317.393	0.594	20	30		DCEDRM
CC(C)c1nccn1CCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001574432592	948936317	/nfs/dbraw/zinc/93/63/17/948936317.db2.gz	NXRYXRVGGUFXMJ-UHFFFAOYSA-N	-1	0	324.352	0.960	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN2CC(F)(F)C[C@H]2C1	ZINC001602780771	971520827	/nfs/dbraw/zinc/52/08/27/971520827.db2.gz	NALAATGKSYGCFG-JOYOIKCWSA-N	-1	0	301.293	0.543	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001602786376	971532960	/nfs/dbraw/zinc/53/29/60/971532960.db2.gz	NOZWCQSQHGYVCC-WXHSDQCUSA-N	-1	0	315.329	0.689	20	30		DCEDRM
CC(C)C#CC(=O)N(C)CCOCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001264663685	949062959	/nfs/dbraw/zinc/06/29/59/949062959.db2.gz	ONLJWEVAYMCJPU-UHFFFAOYSA-N	-1	0	323.397	0.077	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCN3C(=O)CC[C@@H]3C1)cc2=O	ZINC001364366260	949130195	/nfs/dbraw/zinc/13/01/95/949130195.db2.gz	RJWRPSJCLREIPE-GFCCVEGCSA-N	-1	0	312.333	0.113	20	30		DCEDRM
COC(=O)[C@](C)(CCF)NCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364470675	949370659	/nfs/dbraw/zinc/37/06/59/949370659.db2.gz	YYGDSEVQPXUBDJ-AWEZNQCLSA-N	-1	0	321.312	0.687	20	30		DCEDRM
C=CC[C@@H](NC(=O)NC[C@@H]1CC2(CO1)CCOCC2)C(=O)[O-]	ZINC001329242716	949460257	/nfs/dbraw/zinc/46/02/57/949460257.db2.gz	KFKKBMBEAWIDHL-NWDGAFQWSA-N	-1	0	312.366	0.901	20	30		DCEDRM
C[C@H](CC#N)C(=O)Nc1ccccc1-n1cnc(-c2nnn[n-]2)n1	ZINC001574471780	949538767	/nfs/dbraw/zinc/53/87/67/949538767.db2.gz	NAUKCRSPQJTUPJ-SECBINFHSA-N	-1	0	323.320	0.936	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)s1	ZINC000230324327	949679526	/nfs/dbraw/zinc/67/95/26/949679526.db2.gz	NDEQZMSNAUMLJW-MRVPVSSYSA-N	-1	0	302.333	0.094	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC001329680380	949777568	/nfs/dbraw/zinc/77/75/68/949777568.db2.gz	XXEMHABIEZOLPQ-UHFFFAOYSA-N	-1	0	322.342	0.280	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCc2cnc3n2CCOC3)o1	ZINC001364996678	950322617	/nfs/dbraw/zinc/32/26/17/950322617.db2.gz	LEQACAHMEQRPEL-UHFFFAOYSA-N	-1	0	308.319	0.356	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n1	ZINC001365162151	950636413	/nfs/dbraw/zinc/63/64/13/950636413.db2.gz	SDMPAXVEEQPVOF-QMMMGPOBSA-N	-1	0	316.325	0.527	20	30		DCEDRM
CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001365187648	950693324	/nfs/dbraw/zinc/69/33/24/950693324.db2.gz	LOZMEZOTLDKHPS-SSDOTTSWSA-N	-1	0	304.228	0.278	20	30		DCEDRM
N#Cc1cc(F)ccc1N1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1	ZINC001365203290	950727817	/nfs/dbraw/zinc/72/78/17/950727817.db2.gz	ATEJBRVBUUKCNH-UHFFFAOYSA-N	-1	0	316.296	0.483	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@@H]2CCC[C@H](F)C2)c(=O)[n-]c1=O	ZINC001365212481	950747096	/nfs/dbraw/zinc/74/70/96/950747096.db2.gz	NNYVUWDZNQYVMD-WDEREUQCSA-N	-1	0	323.328	0.400	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)C1	ZINC001365281363	950871573	/nfs/dbraw/zinc/87/15/73/950871573.db2.gz	HEELZNYJLHKMBB-HZMBPMFUSA-N	-1	0	320.328	0.408	20	30		DCEDRM
C=CC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001280509151	950912317	/nfs/dbraw/zinc/91/23/17/950912317.db2.gz	KTAFWUZDPYUCEX-QMMMGPOBSA-N	-1	0	323.353	0.072	20	30		DCEDRM
CCC(C)(C)[C@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365416707	951101574	/nfs/dbraw/zinc/10/15/74/951101574.db2.gz	SXZGMVCKSGAOLL-JTQLQIEISA-N	-1	0	321.381	0.944	20	30		DCEDRM
C=CCN1CC[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O	ZINC001275461982	952166143	/nfs/dbraw/zinc/16/61/43/952166143.db2.gz	QXDCZBCHJDRFDC-ZDUSSCGKSA-N	-1	0	310.379	0.209	20	30		DCEDRM
C=CC(C)(C)CCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001333862701	952178062	/nfs/dbraw/zinc/17/80/62/952178062.db2.gz	RGDJUMDGNNIGHC-LLVKDONJSA-N	-1	0	312.366	0.407	20	30		DCEDRM
C[C@@H]1CCCCN1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001604734560	1169666215	/nfs/dbraw/zinc/66/62/15/1169666215.db2.gz	TXFIUUMASJJZAB-LLVKDONJSA-N	-1	0	315.395	0.796	20	30		DCEDRM
CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N2Cc1cc(C#N)ccc1[O-]	ZINC001275546954	952247983	/nfs/dbraw/zinc/24/79/83/952247983.db2.gz	CZSMQWLVHBLJPZ-GASCZTMLSA-N	-1	0	314.389	0.611	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@]2(C)CCNC2=O)cc1C#N	ZINC001411562302	952272897	/nfs/dbraw/zinc/27/28/97/952272897.db2.gz	RZXRKQOBRGWSPM-ZDUSSCGKSA-N	-1	0	306.347	0.389	20	30		DCEDRM
CC(C)(C)n1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001411715411	952403234	/nfs/dbraw/zinc/40/32/34/952403234.db2.gz	RTOSARCMFJWFBX-UHFFFAOYSA-N	-1	0	316.321	0.411	20	30		DCEDRM
C[C@@H](CO[C@@H]1CCOC1)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001575177769	952404228	/nfs/dbraw/zinc/40/42/28/952404228.db2.gz	MRBDPSFWZDSLRD-DTWKUNHWSA-N	-1	0	316.325	0.134	20	30		DCEDRM
N#CC1(CC(=O)N2CCSC[C@@H]2c2nnn[n-]2)CCOCC1	ZINC001412040282	952615326	/nfs/dbraw/zinc/61/53/26/952615326.db2.gz	FXILAVKGKMRLMH-SNVBAGLBSA-N	-1	0	322.394	0.527	20	30		DCEDRM
C#CCCn1nnnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC001335984657	952628987	/nfs/dbraw/zinc/62/89/87/952628987.db2.gz	IIRWBCHVKRTEAN-NSHDSACASA-N	-1	0	316.287	0.344	20	30		DCEDRM
CCC[C@@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)OC	ZINC001412170833	952674821	/nfs/dbraw/zinc/67/48/21/952674821.db2.gz	GLMJAEACZKYAAE-NSHDSACASA-N	-1	0	308.338	0.142	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@@H]2CNC(=O)C2)cc1C#N	ZINC001412183318	952681336	/nfs/dbraw/zinc/68/13/36/952681336.db2.gz	ONWJXHSMQIBGNU-ZETCQYMHSA-N	-1	0	306.347	0.247	20	30		DCEDRM
Cn1ncc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1C1CC1	ZINC001412421119	952790814	/nfs/dbraw/zinc/79/08/14/952790814.db2.gz	WNGQFZKIYNGMBR-UHFFFAOYSA-N	-1	0	314.305	0.070	20	30		DCEDRM
Cn1cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)c(=O)n(C)c1=O	ZINC001337208549	952828295	/nfs/dbraw/zinc/82/82/95/952828295.db2.gz	GZUVCRZUKMKOED-ONEGZZNKSA-N	-1	0	320.326	0.740	20	30		DCEDRM
C[C@H](O)CC(C)(C)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412597565	952927673	/nfs/dbraw/zinc/92/76/73/952927673.db2.gz	SNAQOVYJGCSHRN-JTQLQIEISA-N	-1	0	322.365	0.124	20	30		DCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1C[C@H]2CC[C@@H](C1)O2	ZINC001338869873	953058609	/nfs/dbraw/zinc/05/86/09/953058609.db2.gz	ROKSKLCCWPSOTP-PHIMTYICSA-N	-1	0	316.365	0.938	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1C[C@@H](C)O[C@@H](CC)C1	ZINC001339091483	953072133	/nfs/dbraw/zinc/07/21/33/953072133.db2.gz	UXUCAHCXXNAZKF-ZJUUUORDSA-N	-1	0	304.358	0.648	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CC[C@@H](COCC)C1	ZINC001339210743	953080906	/nfs/dbraw/zinc/08/09/06/953080906.db2.gz	KWOBCVFMTZSRPJ-SNVBAGLBSA-N	-1	0	304.358	0.507	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCCC1CCOCC1)C(=O)[O-]	ZINC001339493002	953098437	/nfs/dbraw/zinc/09/84/37/953098437.db2.gz	MHUIVCAQRXJSPQ-LBPRGKRZSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](COCC)C1	ZINC001339710394	953114150	/nfs/dbraw/zinc/11/41/50/953114150.db2.gz	QKNFHYLGCJLPLW-LLVKDONJSA-N	-1	0	318.381	0.551	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)Cc1ccccn1	ZINC001340557025	953178181	/nfs/dbraw/zinc/17/81/81/953178181.db2.gz	ZOORRWBXIAYOKD-UHFFFAOYSA-N	-1	0	311.349	0.720	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)C(=O)OCC	ZINC001342434453	953289531	/nfs/dbraw/zinc/28/95/31/953289531.db2.gz	OGUHYERJSBBKDV-MRVPVSSYSA-N	-1	0	321.786	0.860	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCCN(C2CC2)C1=O	ZINC001342975260	953316331	/nfs/dbraw/zinc/31/63/31/953316331.db2.gz	QKRUGNKTXHKFOL-NWDGAFQWSA-N	-1	0	314.345	0.713	20	30		DCEDRM
Cn1nc2c(c1/C=C\C(=O)c1cnc([O-])n(C)c1=O)COCC2	ZINC001343346904	953339278	/nfs/dbraw/zinc/33/92/78/953339278.db2.gz	HWUXTNNWSLOEOH-ARJAWSKDSA-N	-1	0	316.317	0.188	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(C[C@@H]2CCOC2)nn1	ZINC001343499913	953349360	/nfs/dbraw/zinc/34/93/60/953349360.db2.gz	GXDVHRYCLYJUIS-QWRGUYRKSA-N	-1	0	305.338	0.162	20	30		DCEDRM
O=C([N-]OC[C@H]1CCOC1)C(=O)NCC#Cc1ccccc1	ZINC001344907626	953554563	/nfs/dbraw/zinc/55/45/63/953554563.db2.gz	FGPQUTJFNOFILB-AWEZNQCLSA-N	-1	0	302.330	0.239	20	30		DCEDRM
O=C([N-]OC[C@@H]1CCOC1)C(=O)NCC#Cc1ccccc1	ZINC001344907627	953555465	/nfs/dbraw/zinc/55/54/65/953555465.db2.gz	FGPQUTJFNOFILB-CQSZACIVSA-N	-1	0	302.330	0.239	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C	ZINC001346208279	953822464	/nfs/dbraw/zinc/82/24/64/953822464.db2.gz	OUORLZWLOAJGIY-GXSJLCMTSA-N	-1	0	308.338	0.832	20	30		DCEDRM
CN(C)C(=O)O[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001593687052	953994967	/nfs/dbraw/zinc/99/49/67/953994967.db2.gz	QTJHVXSJNNBFNC-QMTHXVAHSA-N	-1	0	311.338	0.680	20	30		DCEDRM
C[C@@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC[C@H]1C(=O)[O-]	ZINC001589398510	954385189	/nfs/dbraw/zinc/38/51/89/954385189.db2.gz	DBMBDUYCXINYFG-BXKDBHETSA-N	-1	0	315.333	0.849	20	30		DCEDRM
C[C@H]1CS(=O)(=O)CCCN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589408183	954483785	/nfs/dbraw/zinc/48/37/85/954483785.db2.gz	ALUVXDKPPHEWMS-CABZTGNLSA-N	-1	0	302.352	0.027	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001349214199	954655467	/nfs/dbraw/zinc/65/54/67/954655467.db2.gz	RLARPXQDXVNSLG-OLZOCXBDSA-N	-1	0	302.382	0.078	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2cn[nH]n2)C1	ZINC001284141266	954872478	/nfs/dbraw/zinc/87/24/78/954872478.db2.gz	MMCOVIGKGOOFLF-STQMWFEESA-N	-1	0	317.393	0.965	20	30		DCEDRM
CC#CCCNC(=O)c1cc(=O)cc(C(=O)NCCC#CC)[n-]1	ZINC001351768656	955408326	/nfs/dbraw/zinc/40/83/26/955408326.db2.gz	KXRGGGYBLOAOLD-UHFFFAOYSA-N	-1	0	313.357	0.661	20	30		DCEDRM
Cn1c(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nnc1C(C)(C)CC#N	ZINC001594521532	955459806	/nfs/dbraw/zinc/45/98/06/955459806.db2.gz	GXDMVJRNUFRFLZ-MEBBXXQBSA-N	-1	0	319.365	0.544	20	30		DCEDRM
Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)CSCC#N)C2)cn1	ZINC001594538662	955606894	/nfs/dbraw/zinc/60/68/94/955606894.db2.gz	GBGKEXKEUSAKDK-GHMZBOCLSA-N	-1	0	322.390	0.694	20	30		DCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)OCC(=O)NCC(=O)[O-]	ZINC001589078776	955834772	/nfs/dbraw/zinc/83/47/72/955834772.db2.gz	AAMQJOMNEIAFHZ-SNVBAGLBSA-N	-1	0	304.302	0.481	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)C1Cc2ccccc2C1	ZINC001353571983	956109133	/nfs/dbraw/zinc/10/91/33/956109133.db2.gz	SMAABQVMTMMJEE-UHFFFAOYSA-N	-1	0	309.412	0.966	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	ZINC001594601712	956139472	/nfs/dbraw/zinc/13/94/72/956139472.db2.gz	GBWPGLBGWMBERZ-RWSFTLGLSA-N	-1	0	323.324	0.020	20	30		DCEDRM
N#CC1(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCCCC1	ZINC001594602914	956152329	/nfs/dbraw/zinc/15/23/29/956152329.db2.gz	UJYIQGXIFKWHHI-LLVKDONJSA-N	-1	0	307.350	0.652	20	30		DCEDRM
N#CC1(CNC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CCC1	ZINC001594604046	956159099	/nfs/dbraw/zinc/15/90/99/956159099.db2.gz	NQWHHBUNEFYTGW-LLVKDONJSA-N	-1	0	322.365	0.445	20	30		DCEDRM
N#CCC1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CC1	ZINC001594605561	956167739	/nfs/dbraw/zinc/16/77/39/956167739.db2.gz	FSOYKKLQRFBDLH-UHFFFAOYSA-N	-1	0	316.317	0.871	20	30		DCEDRM
N#Cc1c(F)cc(CNC(=O)c2cn(CC(=O)[O-])nn2)cc1F	ZINC001594611954	956223284	/nfs/dbraw/zinc/22/32/84/956223284.db2.gz	OOFYKTBMOIBDGQ-UHFFFAOYSA-N	-1	0	321.243	0.443	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)OCc1cn(CC(=O)[O-])nn1	ZINC001594612103	956225440	/nfs/dbraw/zinc/22/54/40/956225440.db2.gz	ZBQFFCLDPDSTPJ-UHFFFAOYSA-N	-1	0	304.237	0.730	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cccc3c2OCO3)c(C#N)c1=O	ZINC001413888525	956266244	/nfs/dbraw/zinc/26/62/44/956266244.db2.gz	XMVJSQWNWOFCRF-UHFFFAOYSA-N	-1	0	300.274	0.286	20	30		DCEDRM
N#Cc1ccc(C2CCN(C(=O)COCC(=O)[O-])CC2)nc1	ZINC001594618706	956266503	/nfs/dbraw/zinc/26/65/03/956266503.db2.gz	XDYCFHRTXYRBAO-UHFFFAOYSA-N	-1	0	303.318	0.760	20	30		DCEDRM
Cc1ccc(OCCNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001354053353	956266565	/nfs/dbraw/zinc/26/65/65/956266565.db2.gz	LGGRDMUARMNFRI-UHFFFAOYSA-N	-1	0	300.318	0.745	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CN[C@]2(C(=O)[O-])CCOC2)cc1	ZINC001594620914	956280789	/nfs/dbraw/zinc/28/07/89/956280789.db2.gz	VYYUPZZRPXKYKP-OAHLLOKOSA-N	-1	0	303.318	0.008	20	30		DCEDRM
N#Cc1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])s1	ZINC001594620988	956282451	/nfs/dbraw/zinc/28/24/51/956282451.db2.gz	YDZDDPLEWQZUST-JTQLQIEISA-N	-1	0	300.361	0.303	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)[O-])nc1	ZINC001594625201	956307553	/nfs/dbraw/zinc/30/75/53/956307553.db2.gz	JMNUHUFABLEECX-NSHDSACASA-N	-1	0	309.347	0.971	20	30		DCEDRM
C#CCO[N-]C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1	ZINC001300674057	956449675	/nfs/dbraw/zinc/44/96/75/956449675.db2.gz	GRIVZSSOBRQYGY-VIFPVBQESA-N	-1	0	314.388	0.269	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1	ZINC001589182583	956538243	/nfs/dbraw/zinc/53/82/43/956538243.db2.gz	MBYOCDMEVRTHEB-CQSZACIVSA-N	-1	0	319.321	0.058	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001589183474	956545992	/nfs/dbraw/zinc/54/59/92/956545992.db2.gz	CVJKFDFHVUFMQY-RDRICISKSA-N	-1	0	321.333	0.369	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001355773090	956719651	/nfs/dbraw/zinc/71/96/51/956719651.db2.gz	MMPWZVXRNSUPAQ-CQSZACIVSA-N	-1	0	323.353	0.073	20	30		DCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N1CC[C@@H](C)[C@@H](F)C1	ZINC001355899682	956742836	/nfs/dbraw/zinc/74/28/36/956742836.db2.gz	CSCDXSKLIMYJFA-MNOVXSKESA-N	-1	0	320.376	0.947	20	30		DCEDRM
COCCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)c(C)n1	ZINC001356058497	956768171	/nfs/dbraw/zinc/76/81/71/956768171.db2.gz	CAARAYKBZZQUTK-LBPRGKRZSA-N	-1	0	304.350	0.783	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H](O)c2ccc(Cl)cc2)c(C#N)c1=O	ZINC001413890696	956915187	/nfs/dbraw/zinc/91/51/87/956915187.db2.gz	XCYFWISCIVYDHN-LLVKDONJSA-N	-1	0	320.736	0.744	20	30		DCEDRM
C=C[C@@H]1CCCCN1C(=O)NCCOCCOCC(=O)[O-]	ZINC001357185887	957228542	/nfs/dbraw/zinc/22/85/42/957228542.db2.gz	YRHGMKLFYRPYAQ-GFCCVEGCSA-N	-1	0	300.355	0.854	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)NCc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001326844980	957333707	/nfs/dbraw/zinc/33/37/07/957333707.db2.gz	HZKPDUSRIYFUHP-SNVBAGLBSA-N	-1	0	319.317	0.042	20	30		DCEDRM
COCCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001594024831	957700384	/nfs/dbraw/zinc/70/03/84/957700384.db2.gz	XOZUTWGPBYKEIR-OUAUKWLOSA-N	-1	0	305.338	0.462	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000071228168	957709668	/nfs/dbraw/zinc/70/96/68/957709668.db2.gz	MBMVWEKQLULTQO-UHFFFAOYSA-N	-1	0	312.347	0.936	20	30		DCEDRM
CC(C)[C@H](NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001413902260	957755451	/nfs/dbraw/zinc/75/54/51/957755451.db2.gz	YTCNQOGVOIXRMH-LBPRGKRZSA-N	-1	0	319.365	0.554	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001295580731	957757767	/nfs/dbraw/zinc/75/77/67/957757767.db2.gz	JLLVHNMGSIQEMO-DTWKUNHWSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001295580733	957758857	/nfs/dbraw/zinc/75/88/57/957758857.db2.gz	JLLVHNMGSIQEMO-IUCAKERBSA-N	-1	0	323.353	0.120	20	30		DCEDRM
CCn1nc(C)[nH]c1=NC(=O)c1cc(C#N)c(SC)nc1[O-]	ZINC001361410265	957942707	/nfs/dbraw/zinc/94/27/07/957942707.db2.gz	LDBHTXJAFSHKGG-UHFFFAOYSA-N	-1	0	318.362	0.975	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc(F)cc1	ZINC001588372888	957966648	/nfs/dbraw/zinc/96/66/48/957966648.db2.gz	VHCRJYJNEMEHFO-OLZOCXBDSA-N	-1	0	306.293	0.995	20	30		DCEDRM
C#CC1(NC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CCCC1	ZINC001588385339	957969501	/nfs/dbraw/zinc/96/95/01/957969501.db2.gz	DXKFLSHEQQLXIN-LBPRGKRZSA-N	-1	0	321.377	0.697	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(C)nc(Cl)c1	ZINC001588394406	958034327	/nfs/dbraw/zinc/03/43/27/958034327.db2.gz	CKJUYLSINVGBND-UHFFFAOYSA-N	-1	0	309.709	0.528	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc2[nH]ccc2cc1C	ZINC001588396486	958049802	/nfs/dbraw/zinc/04/98/02/958049802.db2.gz	ZRNIEOKWJSJVAV-UHFFFAOYSA-N	-1	0	313.313	0.961	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC2(CO1)CCOCC2	ZINC001588408595	958112957	/nfs/dbraw/zinc/11/29/57/958112957.db2.gz	ULOGTIPUZRUHIB-LBPRGKRZSA-N	-1	0	310.350	0.302	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CC[C@@H](c2nc(CC)no2)C1	ZINC001588409259	958124396	/nfs/dbraw/zinc/12/43/96/958124396.db2.gz	DBIRUSIXTLIJLD-GHMZBOCLSA-N	-1	0	320.349	0.998	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1[O-]	ZINC001361617403	958139871	/nfs/dbraw/zinc/13/98/71/958139871.db2.gz	HZXDSMQVNMAXKJ-UHFFFAOYSA-N	-1	0	312.333	0.653	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](NC(=O)N1CCCC1)[C@H](C)CC	ZINC001588417393	958173132	/nfs/dbraw/zinc/17/31/32/958173132.db2.gz	LUIGUHOKUWKDPZ-OCCSQVGLSA-N	-1	0	323.393	0.753	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(N2CCCC2=O)c1	ZINC001588419224	958194223	/nfs/dbraw/zinc/19/42/23/958194223.db2.gz	YIUSRHQGKLRRFE-UHFFFAOYSA-N	-1	0	300.314	0.973	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1cc(C(C)(C)C)nn1C	ZINC001588419657	958194421	/nfs/dbraw/zinc/19/44/21/958194421.db2.gz	ABVVUFQKTBQOAB-UHFFFAOYSA-N	-1	0	306.366	0.676	20	30		DCEDRM
C#CCN(CC(=O)[O-])Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC001588424693	958218303	/nfs/dbraw/zinc/21/83/03/958218303.db2.gz	WDRINFQRKRGVGM-UHFFFAOYSA-N	-1	0	306.274	0.886	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@]1(C)CC1(Cl)Cl	ZINC001588425208	958222552	/nfs/dbraw/zinc/22/25/52/958222552.db2.gz	JMGWYBYLQHUYFF-VIFPVBQESA-N	-1	0	314.190	0.920	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cc[nH]n2)n1CC(=C)C	ZINC001588426264	958227401	/nfs/dbraw/zinc/22/74/01/958227401.db2.gz	DHDOGJWCVCKRTB-UHFFFAOYSA-N	-1	0	300.322	0.769	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2nc(C)c(OCC)o2)n1C	ZINC001588426600	958230288	/nfs/dbraw/zinc/23/02/88/958230288.db2.gz	QKXQYPZHINCHBE-UHFFFAOYSA-N	-1	0	319.321	0.701	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2C[C@@H]3C[C@@H](O)[C@@H]3C2)n1CC	ZINC001588426762	958234480	/nfs/dbraw/zinc/23/44/80/958234480.db2.gz	BGYDGXNFHYUCFA-FDYHWXHSSA-N	-1	0	318.377	0.697	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCC(=O)N2)n1CC(C)C	ZINC001588427343	958244756	/nfs/dbraw/zinc/24/47/56/958244756.db2.gz	UQYCELLBAHVMNQ-LLVKDONJSA-N	-1	0	319.365	0.409	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2[C@@H]3CCCO[C@@H]32)n1CC	ZINC001588427412	958245972	/nfs/dbraw/zinc/24/59/72/958245972.db2.gz	WJJAEQPTVIZPBY-UHTWSYAYSA-N	-1	0	304.350	0.715	20	30		DCEDRM
COc1ccc([C@@H](CO)CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC001594080876	958265686	/nfs/dbraw/zinc/26/56/86/958265686.db2.gz	UUZGQDRDYZMSRL-WBMJQRKESA-N	-1	0	320.345	0.892	20	30		DCEDRM
Cc1ccc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)cc1C#N	ZINC001594349952	958341419	/nfs/dbraw/zinc/34/14/19/958341419.db2.gz	OQXUXGILUPEDMW-GFCCVEGCSA-N	-1	0	302.286	0.709	20	30		DCEDRM
C=CC[C@@H](NC(=O)C1(CC(=O)[O-])CCOCC1)C(=O)OCC	ZINC001588453260	958434782	/nfs/dbraw/zinc/43/47/82/958434782.db2.gz	TWIXEUFGWOVWIE-LLVKDONJSA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=CCSCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001588469618	958517993	/nfs/dbraw/zinc/51/79/93/958517993.db2.gz	OCXGMGDRPZQSPM-GWCFXTLKSA-N	-1	0	300.380	0.648	20	30		DCEDRM
C=CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1[C@@]1(O)CCSC1	ZINC001588471842	958536630	/nfs/dbraw/zinc/53/66/30/958536630.db2.gz	DTDSTJLVTILXET-QMTHXVAHSA-N	-1	0	324.406	0.700	20	30		DCEDRM
C=CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1[C@@]1(C)CNC(=O)C1	ZINC001588473338	958549808	/nfs/dbraw/zinc/54/98/08/958549808.db2.gz	XZMFXJOFCRCSOF-ZUZCIYMTSA-N	-1	0	319.365	0.153	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588478551	958568950	/nfs/dbraw/zinc/56/89/50/958568950.db2.gz	OCGFBXPIWWNBJO-SRVKXCTJSA-N	-1	0	310.350	0.017	20	30		DCEDRM
CCc1nncn1CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001361996271	958585500	/nfs/dbraw/zinc/58/55/00/958585500.db2.gz	UKPIQQNKKNONNH-UHFFFAOYSA-N	-1	0	300.322	0.551	20	30		DCEDRM
CCC(CC)[C@@H](O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362106489	958747972	/nfs/dbraw/zinc/74/79/72/958747972.db2.gz	HRHRAMASXAEBGV-LBPRGKRZSA-N	-1	0	322.365	0.124	20	30		DCEDRM
Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362153276	958833115	/nfs/dbraw/zinc/83/31/15/958833115.db2.gz	WZHRPUIXYHKTSS-AWEZNQCLSA-N	-1	0	324.340	0.933	20	30		DCEDRM
CC(C)COC1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362185221	958891891	/nfs/dbraw/zinc/89/18/91/958891891.db2.gz	TVLCHFUOZAYQPO-UHFFFAOYSA-N	-1	0	320.349	0.094	20	30		DCEDRM
CS[C@H]1CC[C@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362186694	958896320	/nfs/dbraw/zinc/89/63/20/958896320.db2.gz	QCLNBGKNZFPQDS-QWRGUYRKSA-N	-1	0	322.390	0.611	20	30		DCEDRM
CC(C)(C)n1nnc(CCOC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001588539821	958952781	/nfs/dbraw/zinc/95/27/81/958952781.db2.gz	AWEUBROGCLTVGM-ZDUSSCGKSA-N	-1	0	309.326	0.518	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc2c1OCC(=O)N2	ZINC001588539983	958955999	/nfs/dbraw/zinc/95/59/99/958955999.db2.gz	JNOVURFUBQXLKV-CQSZACIVSA-N	-1	0	303.274	0.961	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC[C@H]1c1ncon1	ZINC001362228269	958964044	/nfs/dbraw/zinc/96/40/44/958964044.db2.gz	XVWFBZJYGLDRSC-JTQLQIEISA-N	-1	0	315.289	0.564	20	30		DCEDRM
CC(C)[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001362233316	958972808	/nfs/dbraw/zinc/97/28/08/958972808.db2.gz	LGNYPGZIPAKDAP-LBPRGKRZSA-N	-1	0	320.349	0.094	20	30		DCEDRM
C#CC[C@@H](NC(=O)CNC(=O)c1cccc(Cl)c1)C(=O)[O-]	ZINC000149800028	959027222	/nfs/dbraw/zinc/02/72/22/959027222.db2.gz	MFNGSMANSIXANI-LLVKDONJSA-N	-1	0	308.721	0.663	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC23CCC(CC2)C3)c(=O)[n-]c1=O	ZINC001362304201	959103789	/nfs/dbraw/zinc/10/37/89/959103789.db2.gz	WCNOJHSBYZNRBM-UHFFFAOYSA-N	-1	0	302.334	0.517	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(OC)ccc1OC)C(=O)[O-]	ZINC000159578678	959118934	/nfs/dbraw/zinc/11/89/34/959118934.db2.gz	BPJFRFKGJFPSIM-SNVBAGLBSA-N	-1	0	313.331	0.459	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@H]2CCC=CO2)c(=O)[n-]c1=O	ZINC001362352548	959193565	/nfs/dbraw/zinc/19/35/65/959193565.db2.gz	MNJIBQRWQMVOPT-LLVKDONJSA-N	-1	0	304.306	0.020	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O	ZINC001362363291	959217346	/nfs/dbraw/zinc/21/73/46/959217346.db2.gz	XKHSADQXZCYRCA-XHVZSJERSA-N	-1	0	314.345	0.693	20	30		DCEDRM
COc1cc(O)cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001362464096	959406924	/nfs/dbraw/zinc/40/69/24/959406924.db2.gz	ROZGOUJUTVZKDQ-UHFFFAOYSA-N	-1	0	316.273	0.173	20	30		DCEDRM
COc1ccc(F)cc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362489837	959457234	/nfs/dbraw/zinc/45/72/34/959457234.db2.gz	WRPYOWKMZVEJBI-UHFFFAOYSA-N	-1	0	318.264	0.607	20	30		DCEDRM
C[C@H](C(=O)OCC1(C(=O)[O-])CCOCC1)n1cnc(C#N)n1	ZINC001588607107	959482283	/nfs/dbraw/zinc/48/22/83/959482283.db2.gz	PPDDPYLQKGNKAH-SECBINFHSA-N	-1	0	308.294	0.135	20	30		DCEDRM
CCN(CCS(C)(=O)=O)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362505051	959485263	/nfs/dbraw/zinc/48/52/63/959485263.db2.gz	QDUFIGJOMCQMNA-UHFFFAOYSA-N	-1	0	311.363	0.474	20	30		DCEDRM
CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588640768	959688268	/nfs/dbraw/zinc/68/82/68/959688268.db2.gz	NDUCBOKPPQYOTG-ZUZCIYMTSA-N	-1	0	309.366	0.754	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H](C2CC2)C(F)(F)F)c(=O)[n-]c1=O	ZINC001362678501	959815337	/nfs/dbraw/zinc/81/53/37/959815337.db2.gz	RJANLMJREFSNTJ-VIFPVBQESA-N	-1	0	316.239	0.278	20	30		DCEDRM
CC[C@@H](CC(F)(F)F)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362827341	960049733	/nfs/dbraw/zinc/04/97/33/960049733.db2.gz	YTEOCNCDCHINEO-QMMMGPOBSA-N	-1	0	318.255	0.668	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1(S(C)(=O)=O)CCC1	ZINC001362837477	960066932	/nfs/dbraw/zinc/06/69/32/960066932.db2.gz	PYVMTWJPNCWFMZ-UHFFFAOYSA-N	-1	0	323.374	0.664	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2nncn2-c2ccccc2)c(C#N)c1=O	ZINC001306927783	960138961	/nfs/dbraw/zinc/13/89/61/960138961.db2.gz	GWVUXBMDLCKITP-UHFFFAOYSA-N	-1	0	323.316	0.138	20	30		DCEDRM
CCCCC[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC	ZINC001306993013	960139300	/nfs/dbraw/zinc/13/93/00/960139300.db2.gz	JUVQJUSQSVIOPW-JTQLQIEISA-N	-1	0	308.338	0.479	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@@H]2CCCSC2)c(=O)[n-]c1=O	ZINC001413832006	960144177	/nfs/dbraw/zinc/14/41/77/960144177.db2.gz	DAFAQLHQPKFOJH-SNVBAGLBSA-N	-1	0	323.378	0.015	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2CC3CCC2CC3)c(=O)[n-]c1=O	ZINC001362933742	960194058	/nfs/dbraw/zinc/19/40/58/960194058.db2.gz	DRRWIWAKEORHKG-MCIGGMRASA-N	-1	0	316.361	0.763	20	30		DCEDRM
C[C@@H]1C[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC001363037670	960329327	/nfs/dbraw/zinc/32/93/27/960329327.db2.gz	AKBPCSVKINCCKJ-PSASIEDQSA-N	-1	0	308.363	0.221	20	30		DCEDRM
COCC1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCCCC1	ZINC001363126931	960438508	/nfs/dbraw/zinc/43/85/08/960438508.db2.gz	WKJCFCODGBCAOY-UHFFFAOYSA-N	-1	0	320.349	0.286	20	30		DCEDRM
Cc1ccc([C@@H]2COCCN2c2[n-]c(=O)n(C)c(=O)c2C#N)o1	ZINC001363142263	960467763	/nfs/dbraw/zinc/46/77/63/960467763.db2.gz	ILUNDIDHMWNAQO-NSHDSACASA-N	-1	0	316.317	0.425	20	30		DCEDRM
Cn1cc(Br)c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC001363155397	960496158	/nfs/dbraw/zinc/49/61/58/960496158.db2.gz	HKNOCBPUJLLKAG-UHFFFAOYSA-N	-1	0	320.110	0.901	20	30		DCEDRM
CN(CC(=O)[O-])Cc1cn(Cc2cn3ccccc3c2C#N)nn1	ZINC001604113851	972516235	/nfs/dbraw/zinc/51/62/35/972516235.db2.gz	KBNGALLARXVQJQ-UHFFFAOYSA-N	-1	0	324.344	0.967	20	30		DCEDRM
C[C@H](C#N)N(C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C1CC1	ZINC001363224442	960641787	/nfs/dbraw/zinc/64/17/87/960641787.db2.gz	OALFHSQBZSAPCQ-SECBINFHSA-N	-1	0	313.317	0.783	20	30		DCEDRM
Cc1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)ns1	ZINC001363287493	960795598	/nfs/dbraw/zinc/79/55/98/960795598.db2.gz	NEKUEKLWEWFERI-UHFFFAOYSA-N	-1	0	305.319	0.016	20	30		DCEDRM
CC(C)[C@]1(C)C[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363395871	961067161	/nfs/dbraw/zinc/06/71/61/961067161.db2.gz	WKHNZXGSXXEGIS-ABAIWWIYSA-N	-1	0	304.350	0.761	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)[C@@H]1CCCOC1	ZINC001363445190	961169888	/nfs/dbraw/zinc/16/98/88/961169888.db2.gz	PKUVZAAHXIHGKS-PWSUYJOCSA-N	-1	0	305.334	0.485	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC001363472910	961229310	/nfs/dbraw/zinc/22/93/10/961229310.db2.gz	HWFROEIIEKLDFU-PWSUYJOCSA-N	-1	0	314.345	0.708	20	30		DCEDRM
C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H](C)O1	ZINC001363481019	961243234	/nfs/dbraw/zinc/24/32/34/961243234.db2.gz	HCPMIOFGTTXWAV-MNOVXSKESA-N	-1	0	320.349	0.237	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C2CC3(CCC3)C2)c(=O)[n-]c1=O	ZINC001363485904	961256847	/nfs/dbraw/zinc/25/68/47/961256847.db2.gz	ZVWHQHWXAZQRBE-UHFFFAOYSA-N	-1	0	302.334	0.517	20	30		DCEDRM
CC1(C)CO[C@H](CCNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001363575382	961473340	/nfs/dbraw/zinc/47/33/40/961473340.db2.gz	GTXHPZXDCMDQGS-LLVKDONJSA-N	-1	0	320.349	0.142	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](O)c1ccnn1C	ZINC001363654570	961634470	/nfs/dbraw/zinc/63/44/70/961634470.db2.gz	OPNVDYVXQLJSCI-LLVKDONJSA-N	-1	0	301.306	0.164	20	30		DCEDRM
N#CCc1ccnc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c1	ZINC001574479124	961647315	/nfs/dbraw/zinc/64/73/15/961647315.db2.gz	DJJQMEVOPXVUBA-NSHDSACASA-N	-1	0	316.317	0.409	20	30		DCEDRM
CN(C)C(=O)C1(CNc2[n-]c(=O)n(C)c(=O)c2C#N)CCCC1	ZINC001363725007	961765389	/nfs/dbraw/zinc/76/53/89/961765389.db2.gz	CZIQSRPDXNXMJD-UHFFFAOYSA-N	-1	0	319.365	0.006	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2CCC3(CCOCC3)O2)c(C#N)c1=O	ZINC001363765530	961834610	/nfs/dbraw/zinc/83/46/10/961834610.db2.gz	YAOBBXPCNNVDTB-JTQLQIEISA-N	-1	0	320.349	0.085	20	30		DCEDRM
CC(C)CC(=O)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC001588843918	961849841	/nfs/dbraw/zinc/84/98/41/961849841.db2.gz	SSEXXOVMFFQZHI-OAHLLOKOSA-N	-1	0	309.366	0.708	20	30		DCEDRM
CCOC(=O)[C@H]1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001363796893	961907094	/nfs/dbraw/zinc/90/70/94/961907094.db2.gz	UOVNLUQRXLQCGM-JTQLQIEISA-N	-1	0	303.318	0.993	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC001574056332	962187816	/nfs/dbraw/zinc/18/78/16/962187816.db2.gz	ZFASMTNROVHRHK-CQSZACIVSA-N	-1	0	320.301	0.068	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC(c3ncc[nH]3)CC2)c(C#N)c1=O	ZINC001364141924	962547813	/nfs/dbraw/zinc/54/78/13/962547813.db2.gz	AACPFOSZZOKJPQ-UHFFFAOYSA-N	-1	0	300.322	0.052	20	30		DCEDRM
COC(=O)Cc1cccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001364188368	962638884	/nfs/dbraw/zinc/63/88/84/962638884.db2.gz	DNRCCKTXNGZKDP-UHFFFAOYSA-N	-1	0	314.301	0.404	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)CNC(=O)[O-])C1	ZINC001573303573	962678803	/nfs/dbraw/zinc/67/88/03/962678803.db2.gz	PLXYLSFYLRWRHO-NWDGAFQWSA-N	-1	0	309.366	0.459	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)NC(=O)CNC(=O)[O-])cc1	ZINC001573311890	962715352	/nfs/dbraw/zinc/71/53/52/962715352.db2.gz	IRGCRJYKNRLUDL-QWRGUYRKSA-N	-1	0	317.345	0.559	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)Cn2cc(C(=O)[O-])cn2)cc1	ZINC001573311919	962716133	/nfs/dbraw/zinc/71/61/33/962716133.db2.gz	JVLFZWVJHDQQFK-UHFFFAOYSA-N	-1	0	313.313	0.910	20	30		DCEDRM
C=C(Br)CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573313657	962735484	/nfs/dbraw/zinc/73/54/84/962735484.db2.gz	OHJXWGNHVBESMG-UWVGGRQHSA-N	-1	0	317.183	0.760	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CNc1ccccc1C(N)=O)C(=O)[O-]	ZINC001573322453	962771120	/nfs/dbraw/zinc/77/11/20/962771120.db2.gz	ZIKZKDBPIFOQNK-GFCCVEGCSA-N	-1	0	305.334	0.733	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1coc(S(C)(=O)=O)c1)C(=O)[O-]	ZINC001573323640	962774294	/nfs/dbraw/zinc/77/42/94/962774294.db2.gz	DUGBEQDCFCINHY-VIFPVBQESA-N	-1	0	301.320	0.832	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cnc(Cl)c(C)c1)C(=O)[O-]	ZINC000275080049	962822644	/nfs/dbraw/zinc/82/26/44/962822644.db2.gz	YKOULMNPGNIDHM-SECBINFHSA-N	-1	0	302.739	0.798	20	30		DCEDRM
Cc1ccc(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)c(F)c1	ZINC001364288314	962830374	/nfs/dbraw/zinc/83/03/74/962830374.db2.gz	OGLFLCVSUPTTHW-UHFFFAOYSA-N	-1	0	302.265	0.495	20	30		DCEDRM
C[C@H](CC(=O)[O-])NC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC001588997967	962866598	/nfs/dbraw/zinc/86/65/98/962866598.db2.gz	GQHGWSVWUKKQFQ-LLVKDONJSA-N	-1	0	317.349	0.648	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N(C)CCNC(=O)CNC(=O)[O-]	ZINC001573338913	962882821	/nfs/dbraw/zinc/88/28/21/962882821.db2.gz	KQYWMXDDQUONCH-UHFFFAOYSA-N	-1	0	305.762	0.607	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC001573339367	962889280	/nfs/dbraw/zinc/88/92/80/962889280.db2.gz	RJYKMGFYAVIPSX-NEPJUHHUSA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=C(Cl)C[NH2+]CC1(O)CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573344139	962912301	/nfs/dbraw/zinc/91/23/01/962912301.db2.gz	PHWYTAKDXOVGKA-QWRGUYRKSA-N	-1	0	316.785	0.403	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)c(=O)[n-]c1=O	ZINC001364347202	962934812	/nfs/dbraw/zinc/93/48/12/962934812.db2.gz	REWCRWRNFFUSSB-ADEWGFFLSA-N	-1	0	317.349	0.308	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(O)c1	ZINC001573346533	962939038	/nfs/dbraw/zinc/93/90/38/962939038.db2.gz	BOLBZMWYICXMHI-DZGCQCFKSA-N	-1	0	309.318	0.970	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)C(=O)OC	ZINC001573365937	963057381	/nfs/dbraw/zinc/05/73/81/963057381.db2.gz	IZPTUQQXKFSNPY-SNVBAGLBSA-N	-1	0	319.379	0.669	20	30		DCEDRM
C=CCOCCCC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573368664	963084780	/nfs/dbraw/zinc/08/47/80/963084780.db2.gz	JLNYQXYPHQCJKF-OLZOCXBDSA-N	-1	0	324.377	0.359	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC000313416348	963640039	/nfs/dbraw/zinc/64/00/39/963640039.db2.gz	YQJIWXMTVXDOCH-YVMONPNESA-N	-1	0	304.327	0.932	20	30		DCEDRM
C=C(C)Cn1c(C[S@@](C)=O)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588443412	964061684	/nfs/dbraw/zinc/06/16/84/964061684.db2.gz	PVHLFZLGNUNOES-CHNSCGDPSA-N	-1	0	312.395	0.644	20	30		DCEDRM
C#CCN(CC(=O)[O-])Cc1cc(=O)n2cc(Cl)ccc2n1	ZINC000092482541	967596462	/nfs/dbraw/zinc/59/64/62/967596462.db2.gz	RNHSPSDKBLNDEI-UHFFFAOYSA-N	-1	0	305.721	0.868	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC001609698332	970463876	/nfs/dbraw/zinc/46/38/76/970463876.db2.gz	XCKCMQCMMAVRIZ-NXEZZACHSA-N	-1	0	303.322	0.106	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1	ZINC001603329358	972692276	/nfs/dbraw/zinc/69/22/76/972692276.db2.gz	KOZRCBHILOCGRQ-CABCVRRESA-N	-1	0	310.350	0.787	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1	ZINC001603329360	972693777	/nfs/dbraw/zinc/69/37/77/972693777.db2.gz	KOZRCBHILOCGRQ-HUUCEWRRSA-N	-1	0	310.350	0.787	20	30		DCEDRM
Cc1c(C(=O)NC2(C(=O)[O-])CCOCC2)cnn1CCC#N	ZINC001605076999	972710114	/nfs/dbraw/zinc/71/01/14/972710114.db2.gz	MDODGGLAOFADGO-UHFFFAOYSA-N	-1	0	306.322	0.469	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)COc1cccc(C#N)c1	ZINC001604302823	972942522	/nfs/dbraw/zinc/94/25/22/972942522.db2.gz	CLCQUPWNPXEWNM-UHFFFAOYSA-N	-1	0	320.301	0.413	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)c1cc(C#N)ccc1F)C(=O)[O-]	ZINC001604321087	972997373	/nfs/dbraw/zinc/99/73/73/972997373.db2.gz	QCDCTFAAGIREOJ-NSHDSACASA-N	-1	0	308.265	0.834	20	30		DCEDRM
O=C([O-])CCC(=O)OCC#CCN1C(=O)c2ccccc2C1=O	ZINC001606103682	973284034	/nfs/dbraw/zinc/28/40/34/973284034.db2.gz	MEVJWEGDUGHZRP-UHFFFAOYSA-N	-1	0	315.281	0.694	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C1	ZINC001604523993	973474539	/nfs/dbraw/zinc/47/45/39/973474539.db2.gz	YLXGVYGCANZMLP-BBRMVZONSA-N	-1	0	318.329	0.541	20	30		DCEDRM
CC[C@](C)(C#N)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001603505133	973487353	/nfs/dbraw/zinc/48/73/53/973487353.db2.gz	YKXYRSRGIBFINW-BDJLRTHQSA-N	-1	0	321.377	0.850	20	30		DCEDRM
Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3ncncc3C#N)C2)cn1	ZINC001605489697	973635183	/nfs/dbraw/zinc/63/51/83/973635183.db2.gz	VHSNXNFCMJDANJ-GHMZBOCLSA-N	-1	0	312.333	0.776	20	30		DCEDRM
Cn1nc2c(c1CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCCC2	ZINC001605553414	973772896	/nfs/dbraw/zinc/77/28/96/973772896.db2.gz	KWKRKGNVVGJGQY-OAHLLOKOSA-N	-1	0	304.350	0.920	20	30		DCEDRM
N#CCOc1cccc(CNC(=O)c2cc(C(=O)[O-])n[nH]2)c1	ZINC001605601564	973904784	/nfs/dbraw/zinc/90/47/84/973904784.db2.gz	SLWMEEPROSKXSE-UHFFFAOYSA-N	-1	0	300.274	0.940	20	30		DCEDRM
C[C@@](CC(=O)[O-])(NC(=O)Cn1cnc(C#N)n1)c1cccnc1	ZINC001592289391	977604776	/nfs/dbraw/zinc/60/47/76/977604776.db2.gz	DSZOEJZLFANYMP-AWEZNQCLSA-N	-1	0	314.305	0.051	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000717776069	977917449	/nfs/dbraw/zinc/91/74/49/977917449.db2.gz	SXUJWPPACULEOL-SECBINFHSA-N	-1	0	301.320	0.339	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000718151837	977959987	/nfs/dbraw/zinc/95/99/87/977959987.db2.gz	UNLSJAYMQXBTPH-QMMMGPOBSA-N	-1	0	303.723	0.311	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC001523016562	1014521245	/nfs/dbraw/zinc/52/12/45/1014521245.db2.gz	ZYDNYNKRMWNOEB-WDEREUQCSA-N	-1	0	307.354	0.117	20	30		DCEDRM
CC[C@](COC)(NCC(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001595195344	979912871	/nfs/dbraw/zinc/91/28/71/979912871.db2.gz	RBCDHHNBSHADIZ-MRXNPFEDSA-N	-1	0	319.361	0.644	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N(C)CCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001523383538	1014682428	/nfs/dbraw/zinc/68/24/28/1014682428.db2.gz	UUQAWFXZVXIHPZ-NSHDSACASA-N	-1	0	322.365	0.040	20	30		DCEDRM
CC[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC001594744802	981626738	/nfs/dbraw/zinc/62/67/38/981626738.db2.gz	AWELISSMSGUBHU-CYBMUJFWSA-N	-1	0	302.334	0.713	20	30		DCEDRM
CC[C@](C)(O)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001594858256	982124903	/nfs/dbraw/zinc/12/49/03/982124903.db2.gz	CZYJEKGDONGVAX-ZDUSSCGKSA-N	-1	0	312.347	0.696	20	30		DCEDRM
CCCCC[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-]	ZINC001595683364	982171503	/nfs/dbraw/zinc/17/15/03/982171503.db2.gz	PRXRHFOLUQCLQL-WDEREUQCSA-N	-1	0	319.383	0.079	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)COC(=O)c1cc(C#N)[nH]c1C)C(=O)[O-]	ZINC001594902044	982360878	/nfs/dbraw/zinc/36/08/78/982360878.db2.gz	BJRMPEQNCTWNDT-SDBXPKJASA-N	-1	0	321.333	0.967	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)CSCC#N)C2)c1[O-]	ZINC001524148245	1014873148	/nfs/dbraw/zinc/87/31/48/1014873148.db2.gz	YRDWEBHHGRNQQZ-SECBINFHSA-N	-1	0	323.378	0.011	20	30		DCEDRM
CC[C@H](C)N(CC(=O)[O-])C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001594972499	982743544	/nfs/dbraw/zinc/74/35/44/982743544.db2.gz	WAWKTIQEVTYLJP-PQJBRBTKSA-N	-1	0	323.349	0.615	20	30		DCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC001588368615	983307119	/nfs/dbraw/zinc/30/71/19/983307119.db2.gz	OVIKDVLPDMVPPJ-JIMOISOXSA-N	-1	0	300.314	0.951	20	30		DCEDRM
C#C[C@H](CCC)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001588369587	983315283	/nfs/dbraw/zinc/31/52/83/983315283.db2.gz	QHENHWZEFBWKOW-SNVBAGLBSA-N	-1	0	306.322	0.133	20	30		DCEDRM
C#C[C@H](CO)NC(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC001588370681	983321170	/nfs/dbraw/zinc/32/11/70/983321170.db2.gz	KYAYQQYDZWRGJW-MRVPVSSYSA-N	-1	0	306.274	0.287	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC001588383630	983382848	/nfs/dbraw/zinc/38/28/48/983382848.db2.gz	GGVLELISNHVVBU-ZDUSSCGKSA-N	-1	0	318.329	0.694	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001588383799	983384611	/nfs/dbraw/zinc/38/46/11/983384611.db2.gz	LADSCCLOFQBAEO-VIFPVBQESA-N	-1	0	322.342	0.554	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588393471	983398200	/nfs/dbraw/zinc/39/82/00/983398200.db2.gz	GGKWXLZNAZPNLE-IAQYHMDHSA-N	-1	0	323.349	0.430	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC001588393731	983399748	/nfs/dbraw/zinc/39/97/48/983399748.db2.gz	JLUMWJRXGVBKFJ-NSHDSACASA-N	-1	0	318.329	0.786	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC001588396757	983409341	/nfs/dbraw/zinc/40/93/41/983409341.db2.gz	YVGPLHIAJGONBU-QMMMGPOBSA-N	-1	0	301.295	0.186	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H](CCSC)NC(=O)CC)C(=O)[O-]	ZINC001588398042	983410668	/nfs/dbraw/zinc/41/06/68/983410668.db2.gz	BJZGWFFEDCDSEI-VHSXEESVSA-N	-1	0	300.380	0.227	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](C)N1CSCCSC1)C(=O)[O-]	ZINC001588398335	983412367	/nfs/dbraw/zinc/41/23/67/983412367.db2.gz	ICPURLMYCYJNDV-UWVGGRQHSA-N	-1	0	302.421	0.665	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1)C(=O)[O-]	ZINC001588398849	983414223	/nfs/dbraw/zinc/41/42/23/983414223.db2.gz	NNHSIWOASLABNV-GUYCJALGSA-N	-1	0	314.341	0.427	20	30		DCEDRM
C#CC[C@H](NC(=O)/C=C/c1ccc(S(C)(=O)=O)o1)C(=O)[O-]	ZINC001588405708	983422511	/nfs/dbraw/zinc/42/25/11/983422511.db2.gz	IFDLEXAXCZAQJC-STUBTGCMSA-N	-1	0	311.315	0.289	20	30		DCEDRM
C#CCC1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CCC1	ZINC001588428172	983460068	/nfs/dbraw/zinc/46/00/68/983460068.db2.gz	DZSJVFLNHNQLGI-FDYHWXHSSA-N	-1	0	318.373	0.664	20	30		DCEDRM
C#CCC1(O)CCN(C(=O)NCc2ncc(C(=O)[O-])s2)CC1	ZINC001588432026	983467349	/nfs/dbraw/zinc/46/73/49/983467349.db2.gz	UZHYKZLMDRKQCB-UHFFFAOYSA-N	-1	0	323.374	0.901	20	30		DCEDRM
C#CCN(CC)C(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001588468026	983500110	/nfs/dbraw/zinc/50/01/10/983500110.db2.gz	KOXGGLHRRVTWDP-UHFFFAOYSA-N	-1	0	323.374	0.926	20	30		DCEDRM
C#CCN(CCc1cn(CC(=O)[O-])nn1)CC(=O)OC(C)(C)C	ZINC001588469354	983501804	/nfs/dbraw/zinc/50/18/04/983501804.db2.gz	GOQLNAHVQVDGJT-UHFFFAOYSA-N	-1	0	322.365	0.182	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)c1ncc(C(=O)[O-])cn1	ZINC001588489969	983530167	/nfs/dbraw/zinc/53/01/67/983530167.db2.gz	FJIWZRYZGGJNCM-MNOVXSKESA-N	-1	0	320.349	0.154	20	30		DCEDRM
C#CCO[C@H](C)C(=O)OCC(=O)Nc1ccsc1C(=O)[O-]	ZINC001588490573	983533012	/nfs/dbraw/zinc/53/30/12/983533012.db2.gz	PVWKEKRXZZYQQN-MRVPVSSYSA-N	-1	0	311.315	0.966	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)C(=C)CCC(=O)[O-])n1	ZINC001588509510	983553384	/nfs/dbraw/zinc/55/33/84/983553384.db2.gz	JAGMVMNAOCJWGY-UHFFFAOYSA-N	-1	0	319.361	0.912	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)C[C@H](C)CC(=O)[O-])n1	ZINC001588509827	983553956	/nfs/dbraw/zinc/55/39/56/983553956.db2.gz	PGVXGNROENYDPI-ZDUSSCGKSA-N	-1	0	321.377	0.992	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)NCCSCC(=O)[O-])n1	ZINC001588509836	983553966	/nfs/dbraw/zinc/55/39/66/983553966.db2.gz	QCNTZICNCWHAOP-UHFFFAOYSA-N	-1	0	324.406	0.866	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)OC)cn1	ZINC001588510820	983557243	/nfs/dbraw/zinc/55/72/43/983557243.db2.gz	KLJRAXYEUUSKAY-YPMHNXCESA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1	ZINC001588516821	983562382	/nfs/dbraw/zinc/56/23/82/983562382.db2.gz	CVJWSJFEWIWIAZ-ZDUSSCGKSA-N	-1	0	300.314	0.976	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)C(=O)[O-]	ZINC001588536823	983595912	/nfs/dbraw/zinc/59/59/12/983595912.db2.gz	FJLLGNKXUNYSBH-RYUDHWBXSA-N	-1	0	306.322	0.449	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-]	ZINC001588546213	983614288	/nfs/dbraw/zinc/61/42/88/983614288.db2.gz	ASXYMOHLSUVMMP-LLVKDONJSA-N	-1	0	317.301	0.366	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588548395	983624118	/nfs/dbraw/zinc/62/41/18/983624118.db2.gz	UCUBYCOVBUYNOX-HEHGZKQESA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001588548466	983624508	/nfs/dbraw/zinc/62/45/08/983624508.db2.gz	UTTOHAQMCHXRED-AVGNSLFASA-N	-1	0	312.366	0.311	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC1(CC(=O)[O-])CCC1	ZINC001596231328	983626075	/nfs/dbraw/zinc/62/60/75/983626075.db2.gz	LUUHAOXPUUFLSN-SNVBAGLBSA-N	-1	0	303.384	0.700	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C(=O)OC	ZINC001588553311	983627701	/nfs/dbraw/zinc/62/77/01/983627701.db2.gz	KDMQNQGCIQURPS-VIFPVBQESA-N	-1	0	305.352	0.421	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cnc(Cl)n1C)C(=O)[O-]	ZINC001588555527	983635599	/nfs/dbraw/zinc/63/55/99/983635599.db2.gz	LHFCUQVDPBZYQJ-ZETCQYMHSA-N	-1	0	307.759	0.771	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cc(OC)ns1)C(=O)[O-]	ZINC001588555869	983637900	/nfs/dbraw/zinc/63/79/00/983637900.db2.gz	VMTKPARGXYZYHT-ZETCQYMHSA-N	-1	0	306.365	0.849	20	30		DCEDRM
CCN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cncc(C#N)n1	ZINC001596326054	983758759	/nfs/dbraw/zinc/75/87/59/983758759.db2.gz	BHYIJHZBPRIURZ-NEPJUHHUSA-N	-1	0	317.349	0.402	20	30		DCEDRM
CCN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cnc(C#N)cn1	ZINC001596326096	983759545	/nfs/dbraw/zinc/75/95/45/983759545.db2.gz	CKPFMAVZJKMZTO-NWDGAFQWSA-N	-1	0	317.349	0.402	20	30		DCEDRM
CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)CSCC#N	ZINC001596340656	983788699	/nfs/dbraw/zinc/78/86/99/983788699.db2.gz	FPQASRBSGZMLTM-UHFFFAOYSA-N	-1	0	323.378	0.692	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(C(=O)COc2ccc(F)cc2)CC1	ZINC001588663528	983795686	/nfs/dbraw/zinc/79/56/86/983795686.db2.gz	NXXJZKIKXXTHBR-AWEZNQCLSA-N	-1	0	322.336	0.988	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)c1ccnc(C(=O)[O-])n1	ZINC001588684790	983863915	/nfs/dbraw/zinc/86/39/15/983863915.db2.gz	YFAGNSYVXSZIFG-BONVTDFDSA-N	-1	0	322.365	0.443	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001588693292	983892530	/nfs/dbraw/zinc/89/25/30/983892530.db2.gz	VTDZUMGTKYLPET-NSHDSACASA-N	-1	0	306.318	0.569	20	30		DCEDRM
C=C[C@H](Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)C(=O)[O-]	ZINC001588702332	983919769	/nfs/dbraw/zinc/91/97/69/983919769.db2.gz	QIGIINNPWWSXQE-LOWVWBTDSA-N	-1	0	322.365	0.570	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CCO[C@H](CC(=O)[O-])C2)n1CC1CC1	ZINC001588705016	983925461	/nfs/dbraw/zinc/92/54/61/983925461.db2.gz	JPQUCGVZKFKKAR-NEPJUHHUSA-N	-1	0	322.365	0.587	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1CC1CC1	ZINC001588705205	983926600	/nfs/dbraw/zinc/92/66/00/983926600.db2.gz	LFVSGTDVNIYBHJ-WCQGTBRESA-N	-1	0	322.365	0.586	20	30		DCEDRM
C=C[C@@H](OC(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001588710714	983933740	/nfs/dbraw/zinc/93/37/40/983933740.db2.gz	HZILCSLZYRFACE-MWLCHTKSSA-N	-1	0	307.306	0.346	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1	ZINC001588719893	983963247	/nfs/dbraw/zinc/96/32/47/983963247.db2.gz	DXVFDLYPKOHVMO-PWSUYJOCSA-N	-1	0	310.350	0.112	20	30		DCEDRM
C=CCC(CC=C)C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588737943	984031573	/nfs/dbraw/zinc/03/15/73/984031573.db2.gz	XHCCYFMFXGVJSW-QWHCGFSZSA-N	-1	0	306.362	0.803	20	30		DCEDRM
C=CC[C@@H](OC(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001588754331	984093380	/nfs/dbraw/zinc/09/33/80/984093380.db2.gz	YDUJQBMYMPIURV-CMPLNLGQSA-N	-1	0	321.333	0.736	20	30		DCEDRM
C=CCC[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C(=O)OCC	ZINC001588778824	984163050	/nfs/dbraw/zinc/16/30/50/984163050.db2.gz	MWGOPOQEVOGOEI-WRWGMCAJSA-N	-1	0	313.350	0.879	20	30		DCEDRM
C=CCC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588779062	984164600	/nfs/dbraw/zinc/16/46/00/984164600.db2.gz	RUHOBYLZWZWMRA-SECBINFHSA-N	-1	0	300.336	0.385	20	30		DCEDRM
C=CCCC[C@H](NC(=O)C1=C(C)OCCS1(=O)=O)C(=O)[O-]	ZINC001588790469	984206636	/nfs/dbraw/zinc/20/66/36/984206636.db2.gz	XJBAEZUPVWEREG-JTQLQIEISA-N	-1	0	317.363	0.589	20	30		DCEDRM
C=CCCCN(CC)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001588801693	984246956	/nfs/dbraw/zinc/24/69/56/984246956.db2.gz	UONCOBJRHHSMJU-VXGBXAGGSA-N	-1	0	312.366	0.095	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588808504	984262565	/nfs/dbraw/zinc/26/25/65/984262565.db2.gz	DPPMEHLEQWZKGR-JTQLQIEISA-N	-1	0	319.379	0.116	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)nn1	ZINC001588817195	984275356	/nfs/dbraw/zinc/27/53/56/984275356.db2.gz	DGLCSEWQHVTVRG-NSHDSACASA-N	-1	0	304.310	0.143	20	30		DCEDRM
C=CCN(C(=O)C(=O)NC1CC(CC(=O)[O-])C1)[C@H](C)COC	ZINC001588819940	984279928	/nfs/dbraw/zinc/27/99/28/984279928.db2.gz	JLMXUFSFLMUHHC-VOMCLLRMSA-N	-1	0	312.366	0.405	20	30		DCEDRM
C=CCNC(=O)CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-]	ZINC001588844857	984360759	/nfs/dbraw/zinc/36/07/59/984360759.db2.gz	XKMSPYFYUMWXQQ-UHFFFAOYSA-N	-1	0	315.329	0.827	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@@H]1CNc1ccnc(C(=O)[O-])n1	ZINC001588849610	984372541	/nfs/dbraw/zinc/37/25/41/984372541.db2.gz	CBLMHEKNDMACRG-LLVKDONJSA-N	-1	0	320.349	0.202	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cn1ncc2cccnc21)C(=O)[O-]	ZINC001588856260	984398539	/nfs/dbraw/zinc/39/85/39/984398539.db2.gz	FRLJJDSQAVMBBD-NSHDSACASA-N	-1	0	304.306	0.203	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ncoc1[C@H]1CCCO1)C(=O)[O-]	ZINC001588860087	984410731	/nfs/dbraw/zinc/41/07/31/984410731.db2.gz	IKUSIUMPSIHAOB-NXEZZACHSA-N	-1	0	310.306	0.912	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(NC(N)=O)c1)C(=O)[O-]	ZINC001588861243	984414510	/nfs/dbraw/zinc/41/45/10/984414510.db2.gz	DEDQADHITPTOCZ-LLVKDONJSA-N	-1	0	307.306	0.563	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001588861364	984415081	/nfs/dbraw/zinc/41/50/81/984415081.db2.gz	GMEJAFMIJPVXLE-SNVBAGLBSA-N	-1	0	309.278	0.563	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccccc1OCC#N)C(=O)[O-]	ZINC001588862214	984417454	/nfs/dbraw/zinc/41/74/54/984417454.db2.gz	RVURUMAJCBFOBB-LBPRGKRZSA-N	-1	0	304.302	0.975	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cncc(Cl)c1)C(=O)[O-]	ZINC001588866261	984423928	/nfs/dbraw/zinc/42/39/28/984423928.db2.gz	CSFHESPDYGPCMH-SNVBAGLBSA-N	-1	0	320.754	0.669	20	30		DCEDRM
C=CCOCCCNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588866907	984428989	/nfs/dbraw/zinc/42/89/89/984428989.db2.gz	TXPIGJOKAUDPHM-AWEZNQCLSA-N	-1	0	311.338	0.594	20	30		DCEDRM
C=CCOCc1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1CC(=C)C	ZINC001588868579	984433809	/nfs/dbraw/zinc/43/38/09/984433809.db2.gz	LNBRFXXCIJHQTB-GFCCVEGCSA-N	-1	0	322.365	0.847	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001588878804	984455718	/nfs/dbraw/zinc/45/57/18/984455718.db2.gz	JQDAIYPTYLVJMB-CQSZACIVSA-N	-1	0	314.407	0.735	20	30		DCEDRM
C=CCc1cc(C(=O)NC[C@@H](O)CC(=O)[O-])cc(OC)c1OC	ZINC001588881937	984461563	/nfs/dbraw/zinc/46/15/63/984461563.db2.gz	IIZGHVOROYLTKI-LBPRGKRZSA-N	-1	0	323.345	0.998	20	30		DCEDRM
C=CCn1c(CC(F)F)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001588896922	984505618	/nfs/dbraw/zinc/50/56/18/984505618.db2.gz	GGLQBOUUKAUYQF-SECBINFHSA-N	-1	0	316.308	0.952	20	30		DCEDRM
C=CCN1C(=O)N=NC1S(=O)(=O)Cc1ccc(C(=O)[O-])cn1	ZINC001588904962	984534091	/nfs/dbraw/zinc/53/40/91/984534091.db2.gz	KCUAUWSGBXKRTD-UHFFFAOYSA-N	-1	0	324.318	0.237	20	30		DCEDRM
C=CCn1c(N2CCO[C@H](CC(=O)[O-])C2)nnc1[C@@](C)(O)CC	ZINC001588905125	984535863	/nfs/dbraw/zinc/53/58/63/984535863.db2.gz	QLFNZEGRKYVWLI-ABAIWWIYSA-N	-1	0	324.381	0.762	20	30		DCEDRM
C=CCn1cc(C(=O)Nc2c(C(=O)OC)c[nH]c2C(=O)[O-])nn1	ZINC001588910082	984547030	/nfs/dbraw/zinc/54/70/30/984547030.db2.gz	JVLMTNDWBMCSAR-UHFFFAOYSA-N	-1	0	319.277	0.529	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])nn1	ZINC001588910333	984548476	/nfs/dbraw/zinc/54/84/76/984548476.db2.gz	RFVFKYAODKRKPS-NSHDSACASA-N	-1	0	308.338	0.464	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC001588916761	984563437	/nfs/dbraw/zinc/56/34/37/984563437.db2.gz	CVWMKJOEDQQAIB-WYUUTHIRSA-N	-1	0	311.334	0.442	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001588917320	984566313	/nfs/dbraw/zinc/56/63/13/984566313.db2.gz	WCGNPBFZHDHQLG-USZNOCQGSA-N	-1	0	311.334	0.442	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001588917318	984566510	/nfs/dbraw/zinc/56/65/10/984566510.db2.gz	WCGNPBFZHDHQLG-KKOKHZNYSA-N	-1	0	311.334	0.442	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC001588918062	984569190	/nfs/dbraw/zinc/56/91/90/984569190.db2.gz	UUNKAUZPLFJVKI-YFKTTZPYSA-N	-1	0	307.354	0.564	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001588925854	984589458	/nfs/dbraw/zinc/58/94/58/984589458.db2.gz	YBICVPNLYGSVOE-NSHDSACASA-N	-1	0	315.322	0.577	20	30		DCEDRM
CCOC(=O)c1cnc(N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001596739268	985032200	/nfs/dbraw/zinc/03/22/00/985032200.db2.gz	NBKBSXZGLGURML-UHFFFAOYSA-N	-1	0	304.306	0.848	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C)C#N)C3)c1[O-]	ZINC001385008150	986018881	/nfs/dbraw/zinc/01/88/81/986018881.db2.gz	CRWWOQDMAIJJIG-WKJUBOCMSA-N	-1	0	317.349	0.445	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C(=O)[O-])n1	ZINC001589329222	986162626	/nfs/dbraw/zinc/16/26/26/986162626.db2.gz	LPWMCXPHMYHHSJ-HBNTYKKESA-N	-1	0	317.349	0.596	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@]1(C)CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001589329777	986166091	/nfs/dbraw/zinc/16/60/91/986166091.db2.gz	SFVUTEXPUPLVAP-OTYXRUKQSA-N	-1	0	303.322	0.419	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1	ZINC001589330527	986173404	/nfs/dbraw/zinc/17/34/04/986173404.db2.gz	ITKTYLLFFGXXQR-NQBHXWOUSA-N	-1	0	317.411	0.946	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001589330899	986180455	/nfs/dbraw/zinc/18/04/55/986180455.db2.gz	UIUPRAOLIHEHGK-ZETCQYMHSA-N	-1	0	319.273	0.328	20	30		DCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC001589331024	986182794	/nfs/dbraw/zinc/18/27/94/986182794.db2.gz	YOEJIQJQQPADAT-WDEREUQCSA-N	-1	0	321.399	0.133	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001589331046	986182838	/nfs/dbraw/zinc/18/28/38/986182838.db2.gz	ZAKRELSDCDTSMA-XHDPSFHLSA-N	-1	0	309.366	0.937	20	30		DCEDRM
C[C@@H](C#N)N(CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O)C1CC1	ZINC001589331601	986188618	/nfs/dbraw/zinc/18/86/18/986188618.db2.gz	JMEMMWFZQOGGNL-XPTSAGLGSA-N	-1	0	308.338	0.496	20	30		DCEDRM
C[C@H](C(=O)NCC1(CC(=O)[O-])CCOCC1)n1cnc(C#N)n1	ZINC001589405839	986589991	/nfs/dbraw/zinc/58/99/91/986589991.db2.gz	AFUIDLIEWOAFID-SNVBAGLBSA-N	-1	0	321.337	0.098	20	30		DCEDRM
CCC(=O)N[C@@H](CCSC)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001594708267	987165084	/nfs/dbraw/zinc/16/50/84/987165084.db2.gz	RMGCEVDEELZITR-JTQLQIEISA-N	-1	0	315.395	0.461	20	30		DCEDRM
CC(C)(C)N1CCC[C@@H](C(=O)N(CC#N)CCC(=O)[O-])C1=O	ZINC001589818888	988276743	/nfs/dbraw/zinc/27/67/43/988276743.db2.gz	YOLNGRKXOLOYOJ-NSHDSACASA-N	-1	0	309.366	0.850	20	30		DCEDRM
C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599855976	989089152	/nfs/dbraw/zinc/08/91/52/989089152.db2.gz	FEMJNPYCUGRNQS-MFKMUULPSA-N	-1	0	303.318	0.942	20	30		DCEDRM
C[C@@]1(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)CCC(=O)N1	ZINC001599884647	989534352	/nfs/dbraw/zinc/53/43/52/989534352.db2.gz	ZSIGKONDAFTIIA-INIZCTEOSA-N	-1	0	301.298	0.948	20	30		DCEDRM
CCn1c(CCCC#N)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001597850863	989593860	/nfs/dbraw/zinc/59/38/60/989593860.db2.gz	RISQQWJLUYNUFQ-MNOVXSKESA-N	-1	0	307.354	0.823	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC001590961663	991060365	/nfs/dbraw/zinc/06/03/65/991060365.db2.gz	VKXNJCJHEFOVCN-SKDRFNHKSA-N	-1	0	303.309	0.835	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-]	ZINC001598468751	991991627	/nfs/dbraw/zinc/99/16/27/991991627.db2.gz	JFENFGTXYAHEDN-ZYHUDNBSSA-N	-1	0	303.384	0.700	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCCCC(=O)[O-]	ZINC001598485631	992202949	/nfs/dbraw/zinc/20/29/49/992202949.db2.gz	SKGLJAKVZWTCDC-UHFFFAOYSA-N	-1	0	307.354	0.900	20	30		DCEDRM
CN(c1ccn(C)n1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598545634	992942298	/nfs/dbraw/zinc/94/22/98/992942298.db2.gz	LYPDRILEYIHSBF-UHFFFAOYSA-N	-1	0	320.330	0.815	20	30		DCEDRM
COc1ccc(S(=O)(=O)NCC2(C#N)CC2)c(CC(=O)[O-])c1	ZINC001599615020	994002952	/nfs/dbraw/zinc/00/29/52/994002952.db2.gz	JMYMBWPCOIOVNK-UHFFFAOYSA-N	-1	0	324.358	0.904	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC001598693332	995097851	/nfs/dbraw/zinc/09/78/51/995097851.db2.gz	MBRXJENLYKKKSQ-YNEHKIRRSA-N	-1	0	316.313	0.794	20	30		DCEDRM
COC(=O)C1(C#N)CCN(c2cc(CC(=O)[O-])ccn2)CC1	ZINC001598716539	995417245	/nfs/dbraw/zinc/41/72/45/995417245.db2.gz	LYZIBCJIXYRAHB-UHFFFAOYSA-N	-1	0	303.318	0.992	20	30		DCEDRM
C[C@@H](OC(=O)c1ccc(C(=O)[O-])nc1)C(=O)NC1(C#N)CCC1	ZINC001593575852	995685930	/nfs/dbraw/zinc/68/59/30/995685930.db2.gz	ZRWMUUOYDVRAJI-SECBINFHSA-N	-1	0	317.301	0.888	20	30		DCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)NCCC(=O)[O-]	ZINC001593641307	995950956	/nfs/dbraw/zinc/95/09/56/995950956.db2.gz	DRZCKZJRLCALQR-SNVBAGLBSA-N	-1	0	320.301	0.460	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1	ZINC001593739302	996352148	/nfs/dbraw/zinc/35/21/48/996352148.db2.gz	FSZVSWJWMGNBHD-WBMJQRKESA-N	-1	0	321.377	0.756	20	30		DCEDRM
CC1(C)CCC[C@@](NC(=O)Cn2cnc(C#N)n2)(C(=O)[O-])C1	ZINC001593890699	996734304	/nfs/dbraw/zinc/73/43/04/996734304.db2.gz	FVZSXVFLPWSBRS-AWEZNQCLSA-N	-1	0	305.338	0.690	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(c2nnc(C3(C#N)CCCC3)n2C)C1	ZINC001599076764	996886973	/nfs/dbraw/zinc/88/69/73/996886973.db2.gz	FPQVEXFKEXOPDT-HNNXBMFYSA-N	-1	0	319.365	0.830	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(CC(=O)Nc2oc(C)c(C)c2C#N)C1	ZINC001599077588	996913183	/nfs/dbraw/zinc/91/31/83/996913183.db2.gz	JMTJOTGKQCTJEM-OAHLLOKOSA-N	-1	0	321.333	0.882	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])OC(=O)c1ccccc1OCC#N	ZINC001598890994	996991710	/nfs/dbraw/zinc/99/17/10/996991710.db2.gz	SOAIRZSGDHWIOT-LLVKDONJSA-N	-1	0	307.258	0.762	20	30		DCEDRM
CCCc1csc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001466609666	1016094588	/nfs/dbraw/zinc/09/45/88/1016094588.db2.gz	OQNKIRYDWTYAIJ-UHFFFAOYSA-N	-1	0	319.346	0.868	20	30		DCEDRM
COC(=O)[C@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H](C)O1	ZINC001598905913	997263955	/nfs/dbraw/zinc/26/39/55/997263955.db2.gz	UVKYRPCTIWJNLT-HONMWMINSA-N	-1	0	318.329	0.946	20	30		DCEDRM
CO[C@H]1CCN(S(=O)(=O)CC(C)(C)C#N)[C@@H](C(=O)[O-])C1	ZINC001599123231	997780787	/nfs/dbraw/zinc/78/07/87/997780787.db2.gz	JBHHIJUUDSWRLH-VHSXEESVSA-N	-1	0	304.368	0.430	20	30		DCEDRM
CO[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](C(=O)[O-])C1	ZINC001599127410	997877334	/nfs/dbraw/zinc/87/73/34/997877334.db2.gz	SHUVFMKJPDALKP-VXGBXAGGSA-N	-1	0	324.358	0.811	20	30		DCEDRM
COc1cc(C#N)ccc1CN1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC001599347735	998038650	/nfs/dbraw/zinc/03/86/50/998038650.db2.gz	JXNQOTJHWJFAHZ-LBPRGKRZSA-N	-1	0	303.318	0.342	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C#N)cc1	ZINC001594139610	998424835	/nfs/dbraw/zinc/42/48/35/998424835.db2.gz	BVUOKHOZDWWBSO-MFKMUULPSA-N	-1	0	315.329	0.496	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC001594139911	998429438	/nfs/dbraw/zinc/42/94/38/998429438.db2.gz	CWGZGIUUZAYLOE-WCBMZHEXSA-N	-1	0	319.292	0.957	20	30		DCEDRM
COc1ccc(C#N)cc1CN1CC(=O)N(C)C[C@@H]1C(=O)[O-]	ZINC001599477227	998552195	/nfs/dbraw/zinc/55/21/95/998552195.db2.gz	ZWGYTTWGMVQSFM-GFCCVEGCSA-N	-1	0	303.318	0.294	20	30		DCEDRM
C[C@@H]1CC(=O)CCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001594199229	998770689	/nfs/dbraw/zinc/77/06/89/998770689.db2.gz	UYAHGZDLZIEEPQ-SECBINFHSA-N	-1	0	322.342	0.999	20	30		DCEDRM
CC1CC(C#N)(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)C1	ZINC001594200301	998772864	/nfs/dbraw/zinc/77/28/64/998772864.db2.gz	FDRONOLRHKZQTB-VDSRIPIWSA-N	-1	0	321.377	0.314	20	30		DCEDRM
C[C@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CS1	ZINC001469011703	1016299417	/nfs/dbraw/zinc/29/94/17/1016299417.db2.gz	ZGJYEFZDTHHQRI-WCBMZHEXSA-N	-1	0	308.363	0.221	20	30		DCEDRM
COC[C@@H](NC(=O)c1ncc(C#N)cc1Cl)c1nnn[n-]1	ZINC001419546557	1001131517	/nfs/dbraw/zinc/13/15/17/1001131517.db2.gz	BOILTUCXXWPEPL-MRVPVSSYSA-N	-1	0	307.701	0.237	20	30		DCEDRM
COC[C@H](NC(=O)c1ncc(C#N)cc1Cl)c1nnn[n-]1	ZINC001419546583	1001131815	/nfs/dbraw/zinc/13/18/15/1001131815.db2.gz	BOILTUCXXWPEPL-QMMMGPOBSA-N	-1	0	307.701	0.237	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](c2n[nH]cc2N)C1	ZINC001420605436	1002680292	/nfs/dbraw/zinc/68/02/92/1002680292.db2.gz	GXBYEYGSMCZFPF-VIFPVBQESA-N	-1	0	312.333	0.902	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](c2n[nH]cc2N)C1	ZINC001420605427	1002682045	/nfs/dbraw/zinc/68/20/45/1002682045.db2.gz	GXBYEYGSMCZFPF-SECBINFHSA-N	-1	0	312.333	0.902	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C3=CC(=O)CS3)C2)c(=O)[n-]c1=O	ZINC001472371783	1016790110	/nfs/dbraw/zinc/79/01/10/1016790110.db2.gz	XJFATHNXMVUYBB-UHFFFAOYSA-N	-1	0	318.314	0.285	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H](CNC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001428372755	1003897473	/nfs/dbraw/zinc/89/74/73/1003897473.db2.gz	YFGZIFYDBHUKHA-KOLCDFICSA-N	-1	0	319.365	0.552	20	30		DCEDRM
C=C(Cl)CN(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001406650888	1003969569	/nfs/dbraw/zinc/96/95/69/1003969569.db2.gz	YYLHGDBUPUKAPD-ZETCQYMHSA-N	-1	0	301.734	0.085	20	30		DCEDRM
COc1ccccc1[C@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001472696301	1016848216	/nfs/dbraw/zinc/84/82/16/1016848216.db2.gz	GUXQAGLIUJTVHB-NSHDSACASA-N	-1	0	316.317	0.099	20	30		DCEDRM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2cnc(C#N)c(C#N)n2)C1	ZINC001472859560	1016862635	/nfs/dbraw/zinc/86/26/35/1016862635.db2.gz	KHGAPRNPPYAIKW-GFCCVEGCSA-N	-1	0	324.266	0.867	20	30		DCEDRM
CC[C@H](C)[C@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001414557406	1005359192	/nfs/dbraw/zinc/35/91/92/1005359192.db2.gz	PXXXYLULYNJYCS-UWVGGRQHSA-N	-1	0	307.354	0.554	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC2CCCCC2)c(=O)[n-]c1=O	ZINC001417601385	1005848974	/nfs/dbraw/zinc/84/89/74/1005848974.db2.gz	MAZKJYNMPTXWFU-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
CO[C@]1(C)CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001417770562	1005887360	/nfs/dbraw/zinc/88/73/60/1005887360.db2.gz	GDOYPTWYKQKPFY-OAHLLOKOSA-N	-1	0	320.349	0.238	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2CCCNC2=O)cc1C#N	ZINC001417873572	1005911238	/nfs/dbraw/zinc/91/12/38/1005911238.db2.gz	CJAXPOOVTIPFDL-VIFPVBQESA-N	-1	0	306.347	0.389	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@@H]2CCCC[C@H]2F)c(=O)[n-]c1=O	ZINC001434813045	1006000131	/nfs/dbraw/zinc/00/01/31/1006000131.db2.gz	HLGOQKCUIQIOKF-GHMZBOCLSA-N	-1	0	323.328	0.400	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@H]2CCC[C@H](F)C2)c(=O)[n-]c1=O	ZINC001418179998	1006136320	/nfs/dbraw/zinc/13/63/20/1006136320.db2.gz	ZHLZSESROOLRHY-QWRGUYRKSA-N	-1	0	308.313	0.608	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1	ZINC001418368850	1006435235	/nfs/dbraw/zinc/43/52/35/1006435235.db2.gz	YFBCKZPCICFYED-ONGXEEELSA-N	-1	0	323.374	0.663	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2C(=O)NCC2(C)C)cc1C#N	ZINC001453734742	1008693321	/nfs/dbraw/zinc/69/33/21/1008693321.db2.gz	FWAUXDRMZWIBTM-SECBINFHSA-N	-1	0	320.374	0.635	20	30		DCEDRM
CSCC[C@H](NC(=O)[C@]1(C#N)CCCOC1)c1nnn[n-]1	ZINC001453773250	1008710852	/nfs/dbraw/zinc/71/08/52/1008710852.db2.gz	OFLOWQKLJCSOCA-CABZTGNLSA-N	-1	0	310.383	0.430	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H]2C[C@@H]2C2CCCC2)c(=O)[n-]c1=O	ZINC001453847210	1008758449	/nfs/dbraw/zinc/75/84/49/1008758449.db2.gz	YSIVNOPLIHZVQO-OLZOCXBDSA-N	-1	0	316.361	0.763	20	30		DCEDRM
CCC[C@H]1C(=O)NCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001421653608	1008875753	/nfs/dbraw/zinc/87/57/53/1008875753.db2.gz	ZVVPHHKKAHOLCM-LBPRGKRZSA-N	-1	0	314.349	0.407	20	30		DCEDRM
COc1ccncc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001433631181	1009023019	/nfs/dbraw/zinc/02/30/19/1009023019.db2.gz	VRSNTYBVVZZUKR-UHFFFAOYSA-N	-1	0	315.289	0.253	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN1CCSCC1	ZINC001433675441	1009058253	/nfs/dbraw/zinc/05/82/53/1009058253.db2.gz	SKJSLKKBPKGEIJ-UHFFFAOYSA-N	-1	0	306.391	0.746	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CCC(NC(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC001454531050	1009175731	/nfs/dbraw/zinc/17/57/31/1009175731.db2.gz	LBMKPGTWPTYAAV-PUSIOWJLSA-N	-1	0	319.365	0.741	20	30		DCEDRM
CO[C@](C)([C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001434084844	1009539398	/nfs/dbraw/zinc/53/93/98/1009539398.db2.gz	ZJBRBGOMCMTPFO-RFAUZJTJSA-N	-1	0	320.349	0.140	20	30		DCEDRM
CC(C)(C)[S@](C)(=O)=NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001434374211	1009855185	/nfs/dbraw/zinc/85/51/85/1009855185.db2.gz	KSGDZDQNTAQSOA-NRFANRHFSA-N	-1	0	312.351	0.243	20	30		DCEDRM
CCC(C)(C)[C@H](O)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001434417258	1009929004	/nfs/dbraw/zinc/92/90/04/1009929004.db2.gz	FUWLSTAYGUICEY-LLVKDONJSA-N	-1	0	320.349	0.001	20	30		DCEDRM
CN(Cc1cc(=O)n2[n-]cc(C#N)c2n1)[C@H]1CCCCNC1=O	ZINC001434459033	1009977215	/nfs/dbraw/zinc/97/72/15/1009977215.db2.gz	GOPUGXNZZLYYKL-LBPRGKRZSA-N	-1	0	314.349	0.407	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCC3(C1)OCCO3)cc2=O	ZINC001434461454	1009979616	/nfs/dbraw/zinc/97/96/16/1009979616.db2.gz	UGPWGOFOUPYFIU-UHFFFAOYSA-N	-1	0	301.306	0.255	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCCN(C(=O)c1cnc[nH]c1=O)C1CC1	ZINC001455926246	1010042157	/nfs/dbraw/zinc/04/21/57/1010042157.db2.gz	AJGPRACHUGNLLS-VIFPVBQESA-N	-1	0	303.322	0.063	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](CN(C)C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001456089901	1010090090	/nfs/dbraw/zinc/09/00/90/1010090090.db2.gz	ABNVPXHNFOKJQL-KOLCDFICSA-N	-1	0	319.365	0.504	20	30		DCEDRM
C[C@@H](NC(=O)CNc1ccc(C#N)cn1)c1nn(C)cc1[O-]	ZINC001456786691	1011461713	/nfs/dbraw/zinc/46/17/13/1011461713.db2.gz	HEQNZBVLAHSKGP-SECBINFHSA-N	-1	0	300.322	0.682	20	30		DCEDRM
COC(=O)c1cn(C)nc1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001457444215	1011714020	/nfs/dbraw/zinc/71/40/20/1011714020.db2.gz	ABLGXJOAXAVHRO-UHFFFAOYSA-N	-1	0	315.289	0.740	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C(=O)CC#N)CC1	ZINC001445684785	1012108995	/nfs/dbraw/zinc/10/89/95/1012108995.db2.gz	GBJLOAMANLPRRF-UHFFFAOYSA-N	-1	0	313.317	0.165	20	30		DCEDRM
N#Cc1c2ccccc2[nH]c1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC001542946101	1012495149	/nfs/dbraw/zinc/49/51/49/1012495149.db2.gz	HFJLCMYZHZDDGZ-LBPRGKRZSA-N	-1	0	323.316	0.766	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001506276632	1017168484	/nfs/dbraw/zinc/16/84/84/1017168484.db2.gz	IAIGJJUZKWSPSG-SNVBAGLBSA-N	-1	0	322.365	0.298	20	30		DCEDRM
C#C[C@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC2CC2)C1	ZINC001521042333	1017327346	/nfs/dbraw/zinc/32/73/46/1017327346.db2.gz	YYPXAFJYMZUCOK-NSHDSACASA-N	-1	0	312.377	0.762	20	30		DCEDRM
C=C1CC(C)(C(=O)NCC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1	ZINC001498695626	1019329296	/nfs/dbraw/zinc/32/92/96/1019329296.db2.gz	WAFQRLNHTJDOIE-UHFFFAOYSA-N	-1	0	318.377	0.968	20	30		DCEDRM
C=CCCOCC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001493883339	1019788112	/nfs/dbraw/zinc/78/81/12/1019788112.db2.gz	RYDURXXHYBQBNS-NSHDSACASA-N	-1	0	322.365	0.347	20	30		DCEDRM
CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)NCC#CCO	ZINC001606161530	1170097102	/nfs/dbraw/zinc/09/71/02/1170097102.db2.gz	JHRFXSPYQBTLEM-UHFFFAOYSA-N	-1	0	306.318	0.287	20	30		DCEDRM
CO[C@H](C)CS(=O)(=O)[N-]c1nc2n(c1C#N)CCS2	ZINC000331388018	233268469	/nfs/dbraw/zinc/26/84/69/233268469.db2.gz	LDDQUYHRJXJHID-SSDOTTSWSA-N	-1	0	302.381	0.637	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000274933674	186442558	/nfs/dbraw/zinc/44/25/58/186442558.db2.gz	CXADVAAENUBOQV-NSHDSACASA-N	-1	0	312.303	0.740	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2nc3ncccn3n2)c1	ZINC000078701232	191914562	/nfs/dbraw/zinc/91/45/62/191914562.db2.gz	FVEKZCFVMWQNKR-UHFFFAOYSA-N	-1	0	300.303	0.797	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cc1C(N)=O	ZINC000174002027	237168411	/nfs/dbraw/zinc/16/84/11/237168411.db2.gz	VQIQDNQZCWPHMT-UHFFFAOYSA-N	-1	0	305.319	0.191	20	30		DCEDRM
Cc1nn2c([n-]nc2SCC(=O)NCC2CCC2)nc1=O	ZINC000329283621	238606355	/nfs/dbraw/zinc/60/63/55/238606355.db2.gz	FUORYIBBMQHSRC-UHFFFAOYSA-N	-1	0	308.367	0.970	20	30		DCEDRM
Cc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)ccc1C#N	ZINC000566657170	291316858	/nfs/dbraw/zinc/31/68/58/291316858.db2.gz	ZROKAZNTEQGJCZ-DGCLKSJQSA-N	-1	0	324.358	0.635	20	30		DCEDRM
C[C@](CO)(CNS(=O)(=O)c1ccccc1C#N)CC(=O)[O-]	ZINC000275411720	212317172	/nfs/dbraw/zinc/31/71/72/212317172.db2.gz	AJTVXYPAHIXDKZ-CYBMUJFWSA-N	-1	0	312.347	0.310	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000422682118	240177215	/nfs/dbraw/zinc/17/72/15/240177215.db2.gz	BIPAYAZAZVKCQH-HNNXBMFYSA-N	-1	0	301.302	0.820	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000263110508	285049638	/nfs/dbraw/zinc/04/96/38/285049638.db2.gz	DLKPNPUWZSBRKE-IJLUTSLNSA-N	-1	0	317.411	0.755	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cn1	ZINC000275765650	130381436	/nfs/dbraw/zinc/38/14/36/130381436.db2.gz	SIFPCQNSDCQFBM-XDTLVQLUSA-N	-1	0	321.358	0.827	20	30		DCEDRM
Cc1cc(S(=O)(=O)[N-]c2nc(N(C)C)n[nH]2)ccc1C#N	ZINC000285146997	131142215	/nfs/dbraw/zinc/14/22/15/131142215.db2.gz	RGLYNBDFHFJNPW-UHFFFAOYSA-N	-1	0	306.351	0.852	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cc(-n3cccn3)ccn2)[n-]c1C#N	ZINC000126441935	395913311	/nfs/dbraw/zinc/91/33/11/395913311.db2.gz	AUOGIYOSIJLKNY-UHFFFAOYSA-N	-1	0	304.273	0.986	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)s1	ZINC000230326298	395880963	/nfs/dbraw/zinc/88/09/63/395880963.db2.gz	XDAMHSUKUYXTIR-UHFFFAOYSA-N	-1	0	316.360	0.532	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c(F)c1	ZINC000279373980	396169946	/nfs/dbraw/zinc/16/99/46/396169946.db2.gz	XIZCQUWWFZVRQW-VIFPVBQESA-N	-1	0	302.258	0.684	20	30		DCEDRM
C=CCNC(=O)CNC(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000181703562	396241640	/nfs/dbraw/zinc/24/16/40/396241640.db2.gz	LWQMNFNWCRWJTB-UHFFFAOYSA-N	-1	0	300.318	0.610	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2ccccc2C#N)c1C(N)=O	ZINC000185622010	396331858	/nfs/dbraw/zinc/33/18/58/396331858.db2.gz	BOXWSSGDFOSLHV-UHFFFAOYSA-N	-1	0	305.319	0.490	20	30		DCEDRM
CCOC[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000291802422	396513107	/nfs/dbraw/zinc/51/31/07/396513107.db2.gz	BLZWFOZNSBABEW-NSHDSACASA-N	-1	0	316.310	0.465	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@](C)(C#N)C1)C(=O)[O-]	ZINC000594542634	396485731	/nfs/dbraw/zinc/48/57/31/396485731.db2.gz	FMPJZCWNHDMIKC-IAQYHMDHSA-N	-1	0	309.366	0.612	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-]	ZINC000581407715	396551680	/nfs/dbraw/zinc/55/16/80/396551680.db2.gz	SNWAYYNDRBOZEC-DCAQKATOSA-N	-1	0	301.368	0.262	20	30		DCEDRM
N#CC[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])C1	ZINC000595238177	396567863	/nfs/dbraw/zinc/56/78/63/396567863.db2.gz	PJRJBBJKYBNNJC-UWVGGRQHSA-N	-1	0	316.317	0.917	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cc1	ZINC000595275072	396576463	/nfs/dbraw/zinc/57/64/63/396576463.db2.gz	FYJLXFDDFJXIEH-UHFFFAOYSA-N	-1	0	315.329	0.546	20	30		DCEDRM
CN(CC(=O)NCc1ccc(C#N)cc1)Cc1n[n-]c(=O)o1	ZINC000595547809	396628990	/nfs/dbraw/zinc/62/89/90/396628990.db2.gz	SICYUTUGPCRYLO-UHFFFAOYSA-N	-1	0	301.306	0.395	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000595551986	396630048	/nfs/dbraw/zinc/63/00/48/396630048.db2.gz	MTIFGTFMUMQJFD-LLVKDONJSA-N	-1	0	304.306	0.519	20	30		DCEDRM
C[C@@H]1CN(c2ncnc3c2cnn3CCC#N)C[C@H]1C(=O)[O-]	ZINC000595974426	396700750	/nfs/dbraw/zinc/70/07/50/396700750.db2.gz	WZTUQZJWWLCUPN-MWLCHTKSSA-N	-1	0	300.322	0.897	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC000596025800	396709417	/nfs/dbraw/zinc/70/94/17/396709417.db2.gz	ADYCFSBFVWXPOJ-ZDUSSCGKSA-N	-1	0	323.374	0.761	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1	ZINC000629775463	396828684	/nfs/dbraw/zinc/82/86/84/396828684.db2.gz	DVGOXGJNSXNQJA-DGCLKSJQSA-N	-1	0	308.378	0.980	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCCC1	ZINC000590899055	396853491	/nfs/dbraw/zinc/85/34/91/396853491.db2.gz	QGMUNRKVFOWMCH-JTQLQIEISA-N	-1	0	302.352	0.186	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@H]2COCCC2=O)c1	ZINC000625493742	396895317	/nfs/dbraw/zinc/89/53/17/396895317.db2.gz	WBXGOXJHFXEUCO-GFCCVEGCSA-N	-1	0	312.322	0.475	20	30		DCEDRM
Cc1cc(S(=O)(=O)[N-]c2cnn(CCO)c2)ccc1C#N	ZINC000618087470	396902198	/nfs/dbraw/zinc/90/21/98/396902198.db2.gz	PZLNRNKUXJUOKX-UHFFFAOYSA-N	-1	0	306.347	0.856	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-]	ZINC000630318585	396984542	/nfs/dbraw/zinc/98/45/42/396984542.db2.gz	JOOVUIYJEHPGRY-CYBMUJFWSA-N	-1	0	304.346	0.881	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000592424681	397172408	/nfs/dbraw/zinc/17/24/08/397172408.db2.gz	SLSQUZPRTIFFBR-UHFFFAOYSA-N	-1	0	305.290	0.486	20	30		DCEDRM
Cn1cc(C#N)c(=NC(=O)N=c2cc([C@@H]3CCCOC3)[nH][nH]2)[n-]1	ZINC000619320236	397118783	/nfs/dbraw/zinc/11/87/83/397118783.db2.gz	WWBYMFFEOURZMF-SECBINFHSA-N	-1	0	315.337	0.397	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnn(CCO)c1	ZINC000613318902	397242529	/nfs/dbraw/zinc/24/25/29/397242529.db2.gz	JCMMQZLMIWZBQP-UHFFFAOYSA-N	-1	0	322.346	0.556	20	30		DCEDRM
N#Cc1sccc1N1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1	ZINC000598746558	397288524	/nfs/dbraw/zinc/28/85/24/397288524.db2.gz	UXXGQEFZKQCOKD-UHFFFAOYSA-N	-1	0	304.335	0.406	20	30		DCEDRM
C[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602051631	397291659	/nfs/dbraw/zinc/29/16/59/397291659.db2.gz	FQPORSWSWJYEFF-JQWIXIFHSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CN(C[C@@H]1CC=CCC1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602129911	397312839	/nfs/dbraw/zinc/31/28/39/397312839.db2.gz	JDUCGKGTRMENNB-LLVKDONJSA-N	-1	0	302.334	0.635	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(C)(C)CC(=O)[O-]	ZINC000593257630	397342283	/nfs/dbraw/zinc/34/22/83/397342283.db2.gz	VWPQALKJAFLNSP-JTQLQIEISA-N	-1	0	305.400	0.803	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)NCCSCC(=O)[O-]	ZINC000593261325	397343412	/nfs/dbraw/zinc/34/34/12/397343412.db2.gz	HWBSANKIASTAFN-UHFFFAOYSA-N	-1	0	306.390	0.716	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(CC#N)CC2)C1	ZINC000593271623	397346204	/nfs/dbraw/zinc/34/62/04/397346204.db2.gz	NMQKSVUFAJUHLT-CYBMUJFWSA-N	-1	0	316.379	0.433	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-]	ZINC000593271539	397346582	/nfs/dbraw/zinc/34/65/82/397346582.db2.gz	IHSCCAOHNYAQGH-UWVGGRQHSA-N	-1	0	319.383	0.029	20	30		DCEDRM
C[C@@H]1CCSCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602147386	397322301	/nfs/dbraw/zinc/32/23/01/397322301.db2.gz	FXKKHTFBOCTWJA-SNVBAGLBSA-N	-1	0	322.390	0.565	20	30		DCEDRM
N#Cc1cccc2c1CN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)C2	ZINC000593769700	397440149	/nfs/dbraw/zinc/44/01/49/397440149.db2.gz	MEJOPRHEEUPFNX-LBPRGKRZSA-N	-1	0	313.313	0.334	20	30		DCEDRM
C#CCN(CC#N)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000491023970	397498511	/nfs/dbraw/zinc/49/85/11/397498511.db2.gz	ZHZSLSRQIWSTIY-UHFFFAOYSA-N	-1	0	321.358	0.241	20	30		DCEDRM
CC(C)(CCNC(=O)C(=O)N1CCC(CC#N)CC1)C(=O)[O-]	ZINC000579463511	397569979	/nfs/dbraw/zinc/56/99/79/397569979.db2.gz	WZDADZMCUSKYCJ-UHFFFAOYSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CCn1ccnc1/C=C\C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000492819951	397524175	/nfs/dbraw/zinc/52/41/75/397524175.db2.gz	ACWSHUCYXNRMDP-ARJAWSKDSA-N	-1	0	308.363	0.666	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCCNC(=O)OC(C)(C)C	ZINC000494486998	397531275	/nfs/dbraw/zinc/53/12/75/397531275.db2.gz	SLKWSPPGFJWGSA-UHFFFAOYSA-N	-1	0	306.384	0.923	20	30		DCEDRM
CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000494420074	397531755	/nfs/dbraw/zinc/53/17/55/397531755.db2.gz	YKAWFUQAZKOHSH-UHFFFAOYSA-N	-1	0	319.383	0.508	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000599939071	397545505	/nfs/dbraw/zinc/54/55/05/397545505.db2.gz	GODIBDXFXBZBLN-GHMZBOCLSA-N	-1	0	314.407	0.591	20	30		DCEDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cccnc1C#N	ZINC000263479244	296635017	/nfs/dbraw/zinc/63/50/17/296635017.db2.gz	FWMAEQIXGDFJJF-NXEZZACHSA-N	-1	0	309.347	0.827	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cn(-c3ccccc3)nn2)[n-]c1C#N	ZINC000047475578	158003333	/nfs/dbraw/zinc/00/33/33/158003333.db2.gz	KEMNWGNNVLTKIT-UHFFFAOYSA-N	-1	0	304.273	0.986	20	30		DCEDRM
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1	ZINC000091052302	158105985	/nfs/dbraw/zinc/10/59/85/158105985.db2.gz	MVQFVVMBSWMLHV-UHFFFAOYSA-N	-1	0	319.346	0.784	20	30		DCEDRM
CC(C)C[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000261621044	158723467	/nfs/dbraw/zinc/72/34/67/158723467.db2.gz	GJKRDHZOZYDIBO-NSHDSACASA-N	-1	0	311.363	0.978	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCOC3)c1	ZINC000408484184	160118435	/nfs/dbraw/zinc/11/84/35/160118435.db2.gz	DHTWWRXXNXIRFF-WCQYABFASA-N	-1	0	307.331	0.185	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)c2cccc(CC#N)c2)n[n-]1	ZINC000338119248	416045883	/nfs/dbraw/zinc/04/58/83/416045883.db2.gz	JDOJZJXSFQTMLV-UHFFFAOYSA-N	-1	0	305.319	0.527	20	30		DCEDRM
CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H](C)C#N)c1	ZINC000340437396	416186403	/nfs/dbraw/zinc/18/64/03/416186403.db2.gz	YPTRFJRSQUEADD-QMMMGPOBSA-N	-1	0	324.362	0.658	20	30		DCEDRM
CCOC(=O)c1coc(=NCCCc2[nH]nc(N)c2C#N)[n-]1	ZINC000346213451	416190514	/nfs/dbraw/zinc/19/05/14/416190514.db2.gz	XXBIIYUCIUWAPU-UHFFFAOYSA-N	-1	0	304.310	0.495	20	30		DCEDRM
Cn1nncc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000341666708	416221224	/nfs/dbraw/zinc/22/12/24/416221224.db2.gz	PHBZOWFDRKEZMZ-UHFFFAOYSA-N	-1	0	313.289	0.443	20	30		DCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2cc(C)n(CCC#N)n2)c1[O-]	ZINC000348660338	416242075	/nfs/dbraw/zinc/24/20/75/416242075.db2.gz	PSZOLMUDHNFSJM-JTQLQIEISA-N	-1	0	305.294	0.093	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000584175937	416506795	/nfs/dbraw/zinc/50/67/95/416506795.db2.gz	QDIUBSNUFQYQFT-BQBZGAKWSA-N	-1	0	317.289	0.460	20	30		DCEDRM
C#CC[NH+]1CCC(C(=O)NC2(c3nnn[n-]3)CCCC2)CC1	ZINC000490670031	416570586	/nfs/dbraw/zinc/57/05/86/416570586.db2.gz	IZPSXQKPZBOBPS-UHFFFAOYSA-N	-1	0	302.382	0.430	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000539113543	416577383	/nfs/dbraw/zinc/57/73/83/416577383.db2.gz	ZVESYTKAOYTWGO-UHFFFAOYSA-N	-1	0	316.306	0.058	20	30		DCEDRM
C#CCNC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC000491746375	416621994	/nfs/dbraw/zinc/62/19/94/416621994.db2.gz	VBXWDEIUTRNODF-CHWSQXEVSA-N	-1	0	315.329	0.346	20	30		DCEDRM
CC(=O)c1ccc(C#N)c(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1	ZINC000424477607	416653283	/nfs/dbraw/zinc/65/32/83/416653283.db2.gz	VTMPNDTZLCXYAA-ZDUSSCGKSA-N	-1	0	322.342	0.449	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000564089738	416888908	/nfs/dbraw/zinc/88/89/08/416888908.db2.gz	QBGITNIJGMXXMR-RQJHMYQMSA-N	-1	0	317.289	0.318	20	30		DCEDRM
CSCC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000569226041	417225966	/nfs/dbraw/zinc/22/59/66/417225966.db2.gz	KZFPCRNQDODDEV-BDAKNGLRSA-N	-1	0	309.413	0.261	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)CCc1scnc1C)C(=O)[O-]	ZINC000571288683	417441953	/nfs/dbraw/zinc/44/19/53/417441953.db2.gz	GRZQUKZHQRAAOP-SNVBAGLBSA-N	-1	0	316.404	0.780	20	30		DCEDRM
CC[C@H](CCNS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)[O-]	ZINC000572004655	417454504	/nfs/dbraw/zinc/45/45/04/417454504.db2.gz	JJKJTPONOIRNLZ-WDEREUQCSA-N	-1	0	305.400	0.803	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cn1nc(C)c(Cl)c1C)C(=O)[O-]	ZINC000455876592	417620187	/nfs/dbraw/zinc/62/01/87/417620187.db2.gz	LPQIDTMLEZUSRQ-SNVBAGLBSA-N	-1	0	315.757	0.925	20	30		DCEDRM
CC[C@H](CNS(=O)(=O)N(CCC#N)CCOC)CC(=O)[O-]	ZINC000579237227	417690467	/nfs/dbraw/zinc/69/04/67/417690467.db2.gz	YVDUTERBHCBGCF-NSHDSACASA-N	-1	0	321.399	0.184	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cnn(C(C)C)c1)C(=O)[O-]	ZINC000646046987	417862550	/nfs/dbraw/zinc/86/25/50/417862550.db2.gz	ZLQCCKNNNUWXDQ-NSHDSACASA-N	-1	0	317.367	0.398	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000646046898	417862824	/nfs/dbraw/zinc/86/28/24/417862824.db2.gz	BHXUSSRKNGBICJ-GRYCIOLGSA-N	-1	0	320.411	0.455	20	30		DCEDRM
C=CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)[C@@H](C)COC	ZINC000659663474	418139451	/nfs/dbraw/zinc/13/94/51/418139451.db2.gz	ZGXMWPMSLACNHV-RYUDHWBXSA-N	-1	0	314.382	0.509	20	30		DCEDRM
C=CCN(C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)[C@H](C)COC	ZINC000659661914	418139477	/nfs/dbraw/zinc/13/94/77/418139477.db2.gz	ZTBKXAULNDWXME-GRYCIOLGSA-N	-1	0	312.366	0.405	20	30		DCEDRM
C=CCN(C(=O)C(=O)NCC1(C(=O)[O-])CCC1)[C@H](C)COC	ZINC000659671385	418140963	/nfs/dbraw/zinc/14/09/63/418140963.db2.gz	YWDAYQZWEFFHAJ-LLVKDONJSA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCc2ncncc2C1)C(=O)[O-]	ZINC000649250925	418214620	/nfs/dbraw/zinc/21/46/20/418214620.db2.gz	CPFNPBMTEVFDME-MFKMUULPSA-N	-1	0	305.334	0.354	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1scc2c1OCCO2)C(=O)[O-]	ZINC000656244025	418338237	/nfs/dbraw/zinc/33/82/37/418338237.db2.gz	MOGQLGAAKAKQGI-QMMMGPOBSA-N	-1	0	313.331	0.905	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCCC1CC(OC)C1)C(=O)[O-]	ZINC000656586836	418364882	/nfs/dbraw/zinc/36/48/82/418364882.db2.gz	VQKROZGJMWFRHZ-MCIGGMRASA-N	-1	0	300.355	0.757	20	30		DCEDRM
N#Cc1ccccc1C=CC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000370859932	262154555	/nfs/dbraw/zinc/15/45/55/262154555.db2.gz	IHQWHLDRCGKKPM-GFUIURDCSA-N	-1	0	310.317	0.685	20	30		DCEDRM
CCN(CC)c1n[nH]c([N-]S(=O)(=O)C[C@@H](C)OC)c1C#N	ZINC000450997460	267062680	/nfs/dbraw/zinc/06/26/80/267062680.db2.gz	FZDCTHZTWFHWED-SECBINFHSA-N	-1	0	315.399	0.904	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccco2)C(=O)[O-])cn1	ZINC000547901786	288090112	/nfs/dbraw/zinc/09/01/12/288090112.db2.gz	KAGXKZGXBVJYEH-GFCCVEGCSA-N	-1	0	321.314	0.520	20	30		DCEDRM
N#Cc1c(Cl)cccc1S(=O)(=O)NCC[C@H](O)C(=O)[O-]	ZINC000548197957	288119987	/nfs/dbraw/zinc/11/99/87/288119987.db2.gz	QQKOIOGWAIIVDS-VIFPVBQESA-N	-1	0	318.738	0.326	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC000548200195	288120056	/nfs/dbraw/zinc/12/00/56/288120056.db2.gz	GLWAXAFUXURXGK-AAEUAGOBSA-N	-1	0	324.358	0.635	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)c1C#N	ZINC000548529814	288150703	/nfs/dbraw/zinc/15/07/03/288150703.db2.gz	NLQWRQFPBYXLOR-GXFFZTMASA-N	-1	0	324.358	0.635	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)NCC2(C(=O)[O-])CC2)c1	ZINC000556702053	288385729	/nfs/dbraw/zinc/38/57/29/288385729.db2.gz	BXZJGRPLOOITRP-UHFFFAOYSA-N	-1	0	312.322	0.982	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N(CC(=O)[O-])Cc2ccccn2)o1	ZINC000558474807	288444788	/nfs/dbraw/zinc/44/47/88/288444788.db2.gz	DPLKYFACDVOXTJ-UHFFFAOYSA-N	-1	0	321.314	0.822	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000319805494	301075842	/nfs/dbraw/zinc/07/58/42/301075842.db2.gz	UPWSYXBQPVENML-LBPRGKRZSA-N	-1	0	324.358	0.731	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000273668075	303170406	/nfs/dbraw/zinc/17/04/06/303170406.db2.gz	FVLFVIMMHZJYKO-QMMMGPOBSA-N	-1	0	314.294	0.437	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000129468676	303207273	/nfs/dbraw/zinc/20/72/73/303207273.db2.gz	QXMJWPSSINZCLQ-NSHDSACASA-N	-1	0	310.331	0.422	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000570683622	332799863	/nfs/dbraw/zinc/79/98/63/332799863.db2.gz	YDWRNNAKVCKKQZ-GARJFASQSA-N	-1	0	303.384	0.556	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cnc(C)s1)C(=O)[O-]	ZINC000570798933	332817327	/nfs/dbraw/zinc/81/73/27/332817327.db2.gz	JIXHDHOZDXGIJF-MRVPVSSYSA-N	-1	0	306.365	0.386	20	30		DCEDRM
C=CC[C@@H](CO)CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000568752937	331800410	/nfs/dbraw/zinc/80/04/10/331800410.db2.gz	VSOOZBVFLZNOII-SECBINFHSA-N	-1	0	314.363	0.629	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)[O-]	ZINC000583359890	332351650	/nfs/dbraw/zinc/35/16/50/332351650.db2.gz	YTWACUPDMBBJRS-RNJOBUHISA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)[O-]	ZINC000563081655	333349471	/nfs/dbraw/zinc/34/94/71/333349471.db2.gz	PTZKGVFODSBMMD-LLVKDONJSA-N	-1	0	313.379	0.845	20	30		DCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(OC)c1	ZINC000049515851	334344467	/nfs/dbraw/zinc/34/44/67/334344467.db2.gz	BAGXZGOAGJJXIW-UHFFFAOYSA-N	-1	0	302.308	0.696	20	30		DCEDRM
CSc1nc(=NC(=O)N[C@H](C)CCS(C)(=O)=O)s[n-]1	ZINC000331075318	334833154	/nfs/dbraw/zinc/83/31/54/334833154.db2.gz	UUYDMVJLXBDUDM-ZCFIWIBFSA-N	-1	0	324.453	0.831	20	30		DCEDRM
CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)N(CCC#N)CCOC	ZINC000417423739	334870343	/nfs/dbraw/zinc/87/03/43/334870343.db2.gz	SEHWKCAEAZNMHV-LLVKDONJSA-N	-1	0	321.399	0.278	20	30		DCEDRM
C[C@@H](CNC(=O)CSc1n[nH]c(=O)[n-]1)N1CCOCC1	ZINC000330156097	336118836	/nfs/dbraw/zinc/11/88/36/336118836.db2.gz	ONCKSBPFKUTXGG-QMMMGPOBSA-N	-1	0	301.372	0.280	20	30		DCEDRM
C[C@@H]1CN(C([O-])=Nc2cccn(C)c2=O)C[C@@]2(CCOC2)O1	ZINC000330347149	336173353	/nfs/dbraw/zinc/17/33/53/336173353.db2.gz	HKQOCMISJFQCGH-IAQYHMDHSA-N	-1	0	307.350	0.811	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000582729056	337126579	/nfs/dbraw/zinc/12/65/79/337126579.db2.gz	AIEKUUMWMUHYGL-CQSZACIVSA-N	-1	0	316.361	0.959	20	30		DCEDRM
N#CCCC1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1	ZINC000582905635	337213996	/nfs/dbraw/zinc/21/39/96/337213996.db2.gz	WZPVVKUQPDWONJ-LBPRGKRZSA-N	-1	0	307.350	0.462	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CC1CCC1)C(=O)[O-]	ZINC000584533038	337357399	/nfs/dbraw/zinc/35/73/99/337357399.db2.gz	ONXJGUOEPAGITG-ZYHUDNBSSA-N	-1	0	317.411	0.946	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(=O)OC	ZINC000436531948	338275534	/nfs/dbraw/zinc/27/55/34/338275534.db2.gz	QSRHGODZTSWDAY-SNVBAGLBSA-N	-1	0	324.289	0.774	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C=Nn2c(=O)[n-][nH]c2=O)C1	ZINC000497013785	340018255	/nfs/dbraw/zinc/01/82/55/340018255.db2.gz	FPSZPLKELOLHDD-AMIZOPFISA-N	-1	0	309.326	0.780	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCc1nnc2n1CCCC2)C(=O)[O-]	ZINC000516703927	340454418	/nfs/dbraw/zinc/45/44/18/340454418.db2.gz	FXNFFXHQVWDVDK-JTQLQIEISA-N	-1	0	323.353	0.069	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCc1nnc2n1CCCC2)C(=O)[O-]	ZINC000516703934	340454430	/nfs/dbraw/zinc/45/44/30/340454430.db2.gz	FXNFFXHQVWDVDK-SNVBAGLBSA-N	-1	0	323.353	0.069	20	30		DCEDRM
CCc1ccc(CNC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)s1	ZINC000575867964	341811802	/nfs/dbraw/zinc/81/18/02/341811802.db2.gz	JCGHVJZMHQCTKO-UHFFFAOYSA-N	-1	0	318.358	0.349	20	30		DCEDRM
CC(C)(C#N)CCS(=O)(=O)[N-]c1ccn(CCC(N)=O)n1	ZINC000576402983	341844422	/nfs/dbraw/zinc/84/44/22/341844422.db2.gz	OCBDPKJWSUFKSI-UHFFFAOYSA-N	-1	0	313.383	0.440	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-]	ZINC000576469709	341848117	/nfs/dbraw/zinc/84/81/17/341848117.db2.gz	RAQAXUOZHLEYPF-TUAOUCFPSA-N	-1	0	317.411	0.898	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@H]1CCCc2c1cnn2C)C(=O)[O-]	ZINC000576897502	341868758	/nfs/dbraw/zinc/86/87/58/341868758.db2.gz	JVNUXPCKUICNJL-NWDGAFQWSA-N	-1	0	322.365	0.753	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1	ZINC001601063503	1159780326	/nfs/dbraw/zinc/78/03/26/1159780326.db2.gz	XQVVYWMAKHPLAI-UHFFFAOYSA-N	-1	0	302.333	0.095	20	30		DCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001605417513	1159792892	/nfs/dbraw/zinc/79/28/92/1159792892.db2.gz	WPYNNYANALWDIH-UHFFFAOYSA-N	-1	0	313.291	0.562	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cc1	ZINC000117740429	526685221	/nfs/dbraw/zinc/68/52/21/526685221.db2.gz	VIYRTCALQGRWDI-UHFFFAOYSA-N	-1	0	319.346	0.431	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)[O-]	ZINC000262935726	526787134	/nfs/dbraw/zinc/78/71/34/526787134.db2.gz	HIHIVRGDXKHQPY-NXEZZACHSA-N	-1	0	300.355	0.309	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1sccc1-n1cnnn1)C(=O)[O-]	ZINC000262996671	526793762	/nfs/dbraw/zinc/79/37/62/526793762.db2.gz	LYSMWMJZLVIGGQ-MRVPVSSYSA-N	-1	0	323.334	0.109	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1	ZINC000280917885	526881813	/nfs/dbraw/zinc/88/18/13/526881813.db2.gz	DWGUTCQWXZPCLP-UHFFFAOYSA-N	-1	0	322.342	0.470	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])n(CC)c1	ZINC000414337051	546235443	/nfs/dbraw/zinc/23/54/43/546235443.db2.gz	PUWCDAUHJQCSBH-PWSUYJOCSA-N	-1	0	314.363	0.828	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000737991488	597010753	/nfs/dbraw/zinc/01/07/53/597010753.db2.gz	MEHAGHAQBVOZET-UHFFFAOYSA-N	-1	0	313.317	0.873	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1	ZINC000817675478	597038877	/nfs/dbraw/zinc/03/88/77/597038877.db2.gz	ZGQCJJAGLXWUIX-ZDUSSCGKSA-N	-1	0	318.329	0.863	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000817675330	597515663	/nfs/dbraw/zinc/51/56/63/597515663.db2.gz	OFNXHIJWKKTDMF-QMMMGPOBSA-N	-1	0	308.265	0.366	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2ncccc2F)CC1	ZINC000819824669	597604033	/nfs/dbraw/zinc/60/40/33/597604033.db2.gz	ZUBKXQVDDJYBHK-HNNXBMFYSA-N	-1	0	320.324	0.874	20	30		DCEDRM
C[C@@H]1CN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H](C)O1	ZINC000820244538	597622287	/nfs/dbraw/zinc/62/22/87/597622287.db2.gz	DTDMSDMBHKZXIY-RBZYPMLTSA-N	-1	0	312.322	0.170	20	30		DCEDRM
C[C@@H]1CN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H](C)O1	ZINC000820244539	597622322	/nfs/dbraw/zinc/62/23/22/597622322.db2.gz	DTDMSDMBHKZXIY-RULNRJAQSA-N	-1	0	312.322	0.170	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cc2c([nH]c1=O)CCC2	ZINC000819843193	597646796	/nfs/dbraw/zinc/64/67/96/597646796.db2.gz	ZBDZJEYADSVTFD-HNNXBMFYSA-N	-1	0	303.318	0.897	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@H](Cn2cccn2)C1	ZINC000819821183	597646893	/nfs/dbraw/zinc/64/68/93/597646893.db2.gz	DBYCKOCKIRPNNT-SMDDNHRTSA-N	-1	0	306.322	0.115	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCN1CCOC	ZINC000820297089	597648810	/nfs/dbraw/zinc/64/88/10/597648810.db2.gz	LXUCABJZRBXUJC-IUODEOHRSA-N	-1	0	311.382	0.560	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1ccc(C#N)nc1)[C@H](C)C(=O)[O-]	ZINC000819758245	597684918	/nfs/dbraw/zinc/68/49/18/597684918.db2.gz	TYBOGOSZWCTIGB-SECBINFHSA-N	-1	0	304.306	0.005	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCN1c2ccccc2CC1=O	ZINC000819835696	598226043	/nfs/dbraw/zinc/22/60/43/598226043.db2.gz	WYSJVBVCAPIZMS-MRXNPFEDSA-N	-1	0	315.329	0.696	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCOC2(CCOCC2)C1	ZINC000819834706	598230931	/nfs/dbraw/zinc/23/09/31/598230931.db2.gz	OSLPDAUDIDSRAF-BXUZGUMPSA-N	-1	0	310.350	0.835	20	30		DCEDRM
C[C@@H]1CC[C@@H](CCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)O1	ZINC000820690001	599313255	/nfs/dbraw/zinc/31/32/55/599313255.db2.gz	FDBMOWSIVUGKHK-SFYZADRCSA-N	-1	0	316.325	0.748	20	30		DCEDRM
N#CCN1CCC(NC(=O)NC2CCC(C(=O)[O-])CC2)CC1	ZINC000738427248	599702293	/nfs/dbraw/zinc/70/22/93/599702293.db2.gz	YVHIEBBACPBJJZ-UHFFFAOYSA-N	-1	0	308.382	0.917	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2cc(C(=O)[O-])co2)CC1	ZINC000736105789	599845810	/nfs/dbraw/zinc/84/58/10/599845810.db2.gz	KVMOBKYWUYKOHM-UHFFFAOYSA-N	-1	0	307.350	0.398	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN[C@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000736106215	599862301	/nfs/dbraw/zinc/86/23/01/599862301.db2.gz	UJADCEXFLPFVFB-ZDUSSCGKSA-N	-1	0	321.333	0.422	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCCN(C)C(=O)[O-]	ZINC000736106184	599872177	/nfs/dbraw/zinc/87/21/77/599872177.db2.gz	SHCFUVMJSFWKST-SECBINFHSA-N	-1	0	315.326	0.320	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC000736089663	599882635	/nfs/dbraw/zinc/88/26/35/599882635.db2.gz	ODVHWCRHMZQBSO-NSHDSACASA-N	-1	0	316.313	0.570	20	30		DCEDRM
Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCO[C@H](C#N)C1	ZINC000093932503	599938332	/nfs/dbraw/zinc/93/83/32/599938332.db2.gz	PPRWPDWAMRRDOS-SNVBAGLBSA-N	-1	0	310.331	0.606	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC000738431255	600036684	/nfs/dbraw/zinc/03/66/84/600036684.db2.gz	VRURAFKWGVZWCF-CYBMUJFWSA-N	-1	0	315.329	0.611	20	30		DCEDRM
CS(=O)(=O)Nc1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738164717	600402997	/nfs/dbraw/zinc/40/29/97/600402997.db2.gz	XSVQQJFFJCPLDB-UHFFFAOYSA-N	-1	0	311.319	0.108	20	30		DCEDRM
CC(C)(C)C(=O)N1CCC[C@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000736233411	600408701	/nfs/dbraw/zinc/40/87/01/600408701.db2.gz	ZJCLJCDQEZTAES-NSHDSACASA-N	-1	0	309.366	0.708	20	30		DCEDRM
N#CCCCS(=O)(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000739073629	600520116	/nfs/dbraw/zinc/52/01/16/600520116.db2.gz	XJTZTWTWJMBWRW-NSHDSACASA-N	-1	0	304.368	0.576	20	30		DCEDRM
C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)S(C)(=O)=O	ZINC000736226013	600612599	/nfs/dbraw/zinc/61/25/99/600612599.db2.gz	CWCRXMWFJWFUHR-GZMMTYOYSA-N	-1	0	311.315	0.660	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2oc(=O)ccc2c1	ZINC000739087378	600764624	/nfs/dbraw/zinc/76/46/24/600764624.db2.gz	YDMTYAICGVONNI-UHFFFAOYSA-N	-1	0	322.298	0.392	20	30		DCEDRM
N#Cc1ccc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)C2CC2)o1	ZINC000833072452	600783335	/nfs/dbraw/zinc/78/33/35/600783335.db2.gz	MQGUDCFWCKMVOV-SNVBAGLBSA-N	-1	0	317.326	0.988	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccc2cnccc21	ZINC000739086055	600797388	/nfs/dbraw/zinc/79/73/88/600797388.db2.gz	NZAKHIFQSUOAFO-UHFFFAOYSA-N	-1	0	305.315	0.834	20	30		DCEDRM
N#Cc1ccc(-c2nnc(CN3C[C@H](O)C[C@H]3C(=O)[O-])o2)cc1	ZINC000833070576	600828489	/nfs/dbraw/zinc/82/84/89/600828489.db2.gz	NBDZSBVPVDSNGP-NEPJUHHUSA-N	-1	0	314.301	0.628	20	30		DCEDRM
C#CCCCNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000825605597	600925946	/nfs/dbraw/zinc/92/59/46/600925946.db2.gz	IVXUVRFGLDZNAA-UHFFFAOYSA-N	-1	0	304.302	0.618	20	30		DCEDRM
CCC(CC)(NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000828824817	600976027	/nfs/dbraw/zinc/97/60/27/600976027.db2.gz	VOLMWMOWNORQSL-SEYXRHQNSA-N	-1	0	323.349	0.663	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCC1(c2ccccc2)CC1	ZINC000833066241	601006454	/nfs/dbraw/zinc/00/64/54/601006454.db2.gz	RDYQWIHKPZHGQY-UHFFFAOYSA-N	-1	0	301.346	0.745	20	30		DCEDRM
N#CCn1c(CN2CCC[C@H]2C(=O)[O-])nc2ccccc2c1=O	ZINC000819091217	601012082	/nfs/dbraw/zinc/01/20/82/601012082.db2.gz	UCBXALDHIZSKIZ-ZDUSSCGKSA-N	-1	0	312.329	0.969	20	30		DCEDRM
CCCCC(=O)N1CSC[C@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC000736974678	601019817	/nfs/dbraw/zinc/01/98/17/601019817.db2.gz	LMAKOGGMIDWZLA-JTQLQIEISA-N	-1	0	313.379	0.515	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CCO1	ZINC000093932715	601238240	/nfs/dbraw/zinc/23/82/40/601238240.db2.gz	OGVGBCJKRFNKKE-QMMMGPOBSA-N	-1	0	314.294	0.437	20	30		DCEDRM
CC[C@@H](C)[C@H](NC(=O)COC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC000828714482	601357171	/nfs/dbraw/zinc/35/71/71/601357171.db2.gz	ATXFWHVXPBOOIC-RNCFNFMXSA-N	-1	0	321.333	0.669	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CCO1	ZINC000819090846	601470729	/nfs/dbraw/zinc/47/07/29/601470729.db2.gz	HPPRVAISYHOTMY-NSHDSACASA-N	-1	0	317.301	0.003	20	30		DCEDRM
C[C@H](C#N)CNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC000825966593	601556813	/nfs/dbraw/zinc/55/68/13/601556813.db2.gz	HPKLHZAYGXLPBY-SNVBAGLBSA-N	-1	0	318.333	0.711	20	30		DCEDRM
C#CCN1CCN(C(=O)CNc2cccc(NC(=O)[O-])c2)CC1	ZINC000825619437	601578448	/nfs/dbraw/zinc/57/84/48/601578448.db2.gz	MNIXSMJBIYMYDE-UHFFFAOYSA-N	-1	0	316.361	0.966	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N[C@H](C(=O)[O-])C2CC2)cc1	ZINC000833072774	601757794	/nfs/dbraw/zinc/75/77/94/601757794.db2.gz	YWIYRRCIIXCQEI-ZDUSSCGKSA-N	-1	0	301.302	0.267	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000833069509	601798449	/nfs/dbraw/zinc/79/84/49/601798449.db2.gz	BZCALTUERXUZHH-LBPRGKRZSA-N	-1	0	316.285	0.885	20	30		DCEDRM
Cc1nn(CC(F)(F)F)cc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000833015608	602016034	/nfs/dbraw/zinc/01/60/34/602016034.db2.gz	JWFDIFKNIXLNAK-UHFFFAOYSA-N	-1	0	304.228	0.804	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)NCCNc2ccc(C#N)cn2)C1	ZINC000828002935	602060612	/nfs/dbraw/zinc/06/06/12/602060612.db2.gz	PAJNLCTWRMIYEG-OAHLLOKOSA-N	-1	0	317.349	0.871	20	30		DCEDRM
N#CCNS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1	ZINC000833067766	602154354	/nfs/dbraw/zinc/15/43/54/602154354.db2.gz	ZWDUPIYASHNDSE-UHFFFAOYSA-N	-1	0	319.136	0.949	20	30		DCEDRM
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)NCC#N	ZINC000831470302	602154532	/nfs/dbraw/zinc/15/45/32/602154532.db2.gz	GZQBBGUOHHSHJI-UHFFFAOYSA-N	-1	0	304.305	0.035	20	30		DCEDRM
N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCC(=O)[O-]	ZINC000819091181	602254307	/nfs/dbraw/zinc/25/43/07/602254307.db2.gz	RJQAKGBNYZJOQN-UHFFFAOYSA-N	-1	0	309.253	0.257	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)[O-])C(=O)OCCn1ncc(C#N)c1N	ZINC000736422894	602664258	/nfs/dbraw/zinc/66/42/58/602664258.db2.gz	BWNUQCKVNPROPE-SNVBAGLBSA-N	-1	0	309.326	0.562	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1CCN(C(=O)[O-])CC1	ZINC000738424862	602980056	/nfs/dbraw/zinc/98/00/56/602980056.db2.gz	FCPXHCQTDDKFOQ-UHFFFAOYSA-N	-1	0	313.310	0.682	20	30		DCEDRM
C=CCN(C(=O)C[C@H](C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000823501602	603380687	/nfs/dbraw/zinc/38/06/87/603380687.db2.gz	ZUTGLMHGLLGFIT-UWVGGRQHSA-N	-1	0	304.368	0.234	20	30		DCEDRM
CN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1ccccc1C#N	ZINC000828086011	603473413	/nfs/dbraw/zinc/47/34/13/603473413.db2.gz	NHOTZUUIZCUAIZ-NSHDSACASA-N	-1	0	309.347	0.931	20	30		DCEDRM
COc1ccccc1CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000829619738	603593969	/nfs/dbraw/zinc/59/39/69/603593969.db2.gz	XQKULAQRUIZMIR-LBPRGKRZSA-N	-1	0	303.318	0.952	20	30		DCEDRM
COC(=O)c1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)nc1	ZINC000828766693	603595686	/nfs/dbraw/zinc/59/56/86/603595686.db2.gz	PXNCKHKRXDWYHB-JTQLQIEISA-N	-1	0	318.289	0.196	20	30		DCEDRM
COC(=O)[C@H](OC(=O)[C@H](C)NC(=O)[O-])c1cccc(C#N)c1	ZINC000828613868	603612302	/nfs/dbraw/zinc/61/23/02/603612302.db2.gz	XXLDZPBHGWITCV-GZMMTYOYSA-N	-1	0	306.274	0.972	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)NCc1ccccc1	ZINC000831091991	603729965	/nfs/dbraw/zinc/72/99/65/603729965.db2.gz	OMXPHUDSUGZGCT-ZDUSSCGKSA-N	-1	0	302.334	0.491	20	30		DCEDRM
C#CCOc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000823466429	603771283	/nfs/dbraw/zinc/77/12/83/603771283.db2.gz	ABMAEUATBDPHLN-WCQYABFASA-N	-1	0	304.302	0.750	20	30		DCEDRM
C[C@H]1CN(C(=O)NC2CCN(CC#N)CC2)CCN1C(=O)[O-]	ZINC000825996203	603774958	/nfs/dbraw/zinc/77/49/58/603774958.db2.gz	KUEVVAGKQMYTBG-NSHDSACASA-N	-1	0	309.370	0.368	20	30		DCEDRM
N#Cc1ccc(CC(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)cc1	ZINC000831122548	603799260	/nfs/dbraw/zinc/79/92/60/603799260.db2.gz	KXNKOCGSJNMGGA-CYBMUJFWSA-N	-1	0	302.286	0.965	20	30		DCEDRM
NC(=O)CNC(=S)NN=Cc1cccc2c1N(C(=O)[O-])CC2	ZINC000831189769	603822845	/nfs/dbraw/zinc/82/28/45/603822845.db2.gz	FWBYWKAAVJHMPG-UHFFFAOYSA-N	-1	0	321.362	0.010	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)C[C@H]2CCCN2C(=O)[O-])C1	ZINC000831102905	603916510	/nfs/dbraw/zinc/91/65/10/603916510.db2.gz	YWSNINVOFZBNEN-CHWSQXEVSA-N	-1	0	308.382	0.871	20	30		DCEDRM
C[C@H](C(=O)OCC(=O)NCC#N)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823731607	604023203	/nfs/dbraw/zinc/02/32/03/604023203.db2.gz	PAXMFYIZOGZLEM-GXFFZTMASA-N	-1	0	319.317	0.814	20	30		DCEDRM
C#CCNC(=O)COC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823456721	604024370	/nfs/dbraw/zinc/02/43/70/604024370.db2.gz	PYNDRDRALIJMCZ-SMDDNHRTSA-N	-1	0	318.329	0.924	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])n1	ZINC000830985761	604154602	/nfs/dbraw/zinc/15/46/02/604154602.db2.gz	VZDIMXAIRORHBY-WPRPVWTQSA-N	-1	0	306.326	0.850	20	30		DCEDRM
N#Cc1cc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])ccc1F	ZINC000831113540	604284275	/nfs/dbraw/zinc/28/42/75/604284275.db2.gz	DJGDYXUAKQYUPW-CMPLNLGQSA-N	-1	0	308.265	0.854	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)n1	ZINC000833078057	604294015	/nfs/dbraw/zinc/29/40/15/604294015.db2.gz	BFKRGXARMHQUGL-NSHDSACASA-N	-1	0	317.280	0.621	20	30		DCEDRM
C[C@H](Oc1ccc(C=NN2CC(=O)N(C)C2=O)cc1)C(=O)[O-]	ZINC000794921813	604536868	/nfs/dbraw/zinc/53/68/68/604536868.db2.gz	GFAPCBFKYJWSOK-VIFPVBQESA-N	-1	0	305.290	0.766	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CCO1	ZINC000833062906	604537456	/nfs/dbraw/zinc/53/74/56/604537456.db2.gz	RDGCNHDHLFCTCZ-QMMMGPOBSA-N	-1	0	309.303	0.136	20	30		DCEDRM
C#CCSCCNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823466816	604553933	/nfs/dbraw/zinc/55/39/33/604553933.db2.gz	JDCBRAYMDGXCTP-WDEREUQCSA-N	-1	0	315.395	0.419	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)NC1CN(C(=O)[O-])C1	ZINC000831156832	604577256	/nfs/dbraw/zinc/57/72/56/604577256.db2.gz	MBXJSQQOHDVPMC-UHFFFAOYSA-N	-1	0	304.310	0.027	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C#Cc2ccccc2)CCO1	ZINC000825292865	604671041	/nfs/dbraw/zinc/67/10/41/604671041.db2.gz	CRQCYPWHTUXDBL-GXTWGEPZSA-N	-1	0	302.330	0.922	20	30		DCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000828350966	604693681	/nfs/dbraw/zinc/69/36/81/604693681.db2.gz	TVDBSMAZXMUZAH-ZDUSSCGKSA-N	-1	0	303.318	0.895	20	30		DCEDRM
N#Cc1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc1	ZINC000833072710	604698103	/nfs/dbraw/zinc/69/81/03/604698103.db2.gz	XPIKERLDJDZBQG-UHFFFAOYSA-N	-1	0	300.274	0.634	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)CCO1	ZINC000825309287	604708612	/nfs/dbraw/zinc/70/86/12/604708612.db2.gz	JQZVDAYFYFHOJH-SMDDNHRTSA-N	-1	0	317.345	0.984	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C1(NC(=O)[O-])CC1	ZINC000825544767	604762607	/nfs/dbraw/zinc/76/26/07/604762607.db2.gz	ORZGNIYBSNMXKS-NOZJJQNGSA-N	-1	0	311.338	0.773	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cnccc1C(=O)[O-]	ZINC000826677254	604872924	/nfs/dbraw/zinc/87/29/24/604872924.db2.gz	QXBSGZVAQLKONL-HNNXBMFYSA-N	-1	0	319.317	0.991	20	30		DCEDRM
C#CCCN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21	ZINC000833362255	605056804	/nfs/dbraw/zinc/05/68/04/605056804.db2.gz	HYSWLGWJPXHQPZ-UHFFFAOYSA-N	-1	0	318.314	0.288	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000833369712	605093317	/nfs/dbraw/zinc/09/33/17/605093317.db2.gz	DGHFTUALRLSDQI-LBPRGKRZSA-N	-1	0	320.345	0.553	20	30		DCEDRM
C=C(C)CN(CC)C(=O)Cn1nc(C(=O)OC)cc1C(=O)[O-]	ZINC000833369244	605185395	/nfs/dbraw/zinc/18/53/95/605185395.db2.gz	MPIBNXDFIMEUGG-UHFFFAOYSA-N	-1	0	309.322	0.793	20	30		DCEDRM
C#CCCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1	ZINC000833365064	605197287	/nfs/dbraw/zinc/19/72/87/605197287.db2.gz	IHBRRDOCRUEHKP-UHFFFAOYSA-N	-1	0	312.347	0.307	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000829839011	605204335	/nfs/dbraw/zinc/20/43/35/605204335.db2.gz	AYJZFYMIYMFWEV-UHFFFAOYSA-N	-1	0	316.317	0.627	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000393785073	605211737	/nfs/dbraw/zinc/21/17/37/605211737.db2.gz	JXWSDHWBFBQFFS-UHFFFAOYSA-N	-1	0	312.347	0.106	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)[C@H](CC(F)F)NC(=O)[O-])C1	ZINC000833966349	605317355	/nfs/dbraw/zinc/31/73/55/605317355.db2.gz	DOJMQKXZLIZWOI-UWVGGRQHSA-N	-1	0	318.324	0.630	20	30		DCEDRM
CN(CCNC(=O)C(=O)Nc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000828315819	605358980	/nfs/dbraw/zinc/35/89/80/605358980.db2.gz	GNKZLINQXSCYJD-UHFFFAOYSA-N	-1	0	308.269	0.362	20	30		DCEDRM
C#CCNC(=O)COC(=O)C[C@H](NC(=O)[O-])c1ccccc1	ZINC000823457290	605551474	/nfs/dbraw/zinc/55/14/74/605551474.db2.gz	XHVGEOVDUOXKML-LBPRGKRZSA-N	-1	0	304.302	0.678	20	30		DCEDRM
N#CCN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2O)CC1	ZINC000833966398	605649388	/nfs/dbraw/zinc/64/93/88/605649388.db2.gz	FRTKVCLCJKFSHC-UHFFFAOYSA-N	-1	0	304.306	0.763	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)[O-])CC1	ZINC000823457107	605677744	/nfs/dbraw/zinc/67/77/44/605677744.db2.gz	VEJZYFKQJFEVPP-ZDUSSCGKSA-N	-1	0	323.393	0.657	20	30		DCEDRM
N#Cc1ncn(CC(=O)NCC2(NC(=O)[O-])CCCCC2)n1	ZINC000831162045	605687304	/nfs/dbraw/zinc/68/73/04/605687304.db2.gz	VBUBZXWADPPGJQ-UHFFFAOYSA-N	-1	0	306.326	0.236	20	30		DCEDRM
N#CC1(c2nc([C@@H]3COCCN3C(=O)[O-])no2)CCOCC1	ZINC000833963975	605708715	/nfs/dbraw/zinc/70/87/15/605708715.db2.gz	XSWGEYSAVSVTKO-VIFPVBQESA-N	-1	0	308.294	0.693	20	30		DCEDRM
N#Cc1cccc(C(=O)COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1	ZINC000833977324	605722675	/nfs/dbraw/zinc/72/26/75/605722675.db2.gz	QJBQLGRCHMOTSB-VXGBXAGGSA-N	-1	0	318.285	0.397	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)NCC2CN(C(=O)[O-])C2)c1	ZINC000833977208	605726265	/nfs/dbraw/zinc/72/62/65/605726265.db2.gz	WOIAKSSFLIRGMI-UHFFFAOYSA-N	-1	0	309.347	0.587	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)/C=C/c1cncc(O)c1	ZINC000833967241	605734639	/nfs/dbraw/zinc/73/46/39/605734639.db2.gz	QKWVBZUSBOMJOE-FMBMQGQPSA-N	-1	0	302.290	0.515	20	30		DCEDRM
N#CCN1CCN(C(=O)Cc2cccc(NC(=O)[O-])c2)CC1	ZINC000833967909	605829279	/nfs/dbraw/zinc/82/92/79/605829279.db2.gz	VTFRBMJKVRZMTE-UHFFFAOYSA-N	-1	0	302.334	0.987	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NC2CCN(C(=O)[O-])CC2)nc1	ZINC000833973758	605996962	/nfs/dbraw/zinc/99/69/62/605996962.db2.gz	CJLMWRAESRRLHC-UHFFFAOYSA-N	-1	0	303.322	0.624	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@@H](CC(F)F)NC(=O)[O-])CC1	ZINC000833967748	606056881	/nfs/dbraw/zinc/05/68/81/606056881.db2.gz	ULWLUIAOJQXRJW-SNVBAGLBSA-N	-1	0	318.324	0.630	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc(-c2nn[nH]n2)cs1	ZINC000820133420	606461128	/nfs/dbraw/zinc/46/11/28/606461128.db2.gz	RFUNCQYHZGFENU-MRVPVSSYSA-N	-1	0	304.335	0.775	20	30		DCEDRM
CC(C)CCN(CCC#N)C(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC000820076521	607214246	/nfs/dbraw/zinc/21/42/46/607214246.db2.gz	KMOCKEGQSSPLQM-UHFFFAOYSA-N	-1	0	317.357	0.247	20	30		DCEDRM
CN(CC#N)[C@@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001027606995	660518280	/nfs/dbraw/zinc/51/82/80/660518280.db2.gz	PZUUMBFCCRPPJR-LLVKDONJSA-N	-1	0	314.349	0.083	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2csc(C(=O)[O-])c2)CCO1	ZINC000093932645	660706014	/nfs/dbraw/zinc/70/60/14/660706014.db2.gz	WYAZHWYYIKZXJN-ZETCQYMHSA-N	-1	0	302.333	0.359	20	30		DCEDRM
COc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)c1	ZINC000049515843	657476445	/nfs/dbraw/zinc/47/64/45/657476445.db2.gz	JQWSWXUXWLCBLV-NSHDSACASA-N	-1	0	301.320	0.756	20	30		DCEDRM
C#CCN(C)S(=O)(=O)c1cc(OC)c(OC)c(C(=O)[O-])c1	ZINC000161816598	657636030	/nfs/dbraw/zinc/63/60/30/657636030.db2.gz	BWSIZLCZVDSEEN-UHFFFAOYSA-N	-1	0	313.331	0.656	20	30		DCEDRM
O=C(NCC#C[C@H]1CCCCO1)c1c[n-]n2c1nccc2=O	ZINC000891115556	657776590	/nfs/dbraw/zinc/77/65/90/657776590.db2.gz	FCVXSHDZAWKOTI-LLVKDONJSA-N	-1	0	300.318	0.325	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCOCC(F)(F)F	ZINC000181286651	665521699	/nfs/dbraw/zinc/52/16/99/665521699.db2.gz	GRAAPCACUVTTMZ-UHFFFAOYSA-N	-1	0	302.274	0.705	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H]3CN(CC#N)CC[C@@H]32)c1[O-]	ZINC001021567588	658036271	/nfs/dbraw/zinc/03/62/71/658036271.db2.gz	VXQCBEWFCQHKSQ-RYUDHWBXSA-N	-1	0	303.366	0.874	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000187609712	658041972	/nfs/dbraw/zinc/04/19/72/658041972.db2.gz	DHFONJOQUKVCHT-GFCCVEGCSA-N	-1	0	302.352	0.849	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779321149	658307955	/nfs/dbraw/zinc/30/79/55/658307955.db2.gz	KYYLYBSFCMLCJA-UHFFFAOYSA-N	-1	0	301.393	0.773	20	30		DCEDRM
CN(CC#N)[C@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC000972722455	658351299	/nfs/dbraw/zinc/35/12/99/658351299.db2.gz	XMYJBJDDPJVDCX-VIFPVBQESA-N	-1	0	301.306	0.598	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H]1CCC2(CCOCC2)CO1	ZINC000892883617	659498857	/nfs/dbraw/zinc/49/88/57/659498857.db2.gz	WRVQDFRFDXNCRS-LBPRGKRZSA-N	-1	0	317.407	0.984	20	30		DCEDRM
CC[NH+]1CCN(CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC000725883647	659782062	/nfs/dbraw/zinc/78/20/62/659782062.db2.gz	LYTKYIZFRJMSCG-UHFFFAOYSA-N	-1	0	301.354	0.119	20	30		DCEDRM
C#CCN1CCN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)CC1	ZINC000073640634	665776497	/nfs/dbraw/zinc/77/64/97/665776497.db2.gz	CYLIAQLSVVVZKX-UHFFFAOYSA-N	-1	0	324.384	0.865	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000070393957	665820908	/nfs/dbraw/zinc/82/09/08/665820908.db2.gz	HUVIBXSKMNLRBK-SECBINFHSA-N	-1	0	316.335	0.846	20	30		DCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000797308348	662472744	/nfs/dbraw/zinc/47/27/44/662472744.db2.gz	XXJDUEZXVZADDQ-VIFPVBQESA-N	-1	0	310.331	0.488	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C)c1[O-]	ZINC000987603590	662690372	/nfs/dbraw/zinc/69/03/72/662690372.db2.gz	RAQLHMHMTJFGFS-QNSHHTMESA-N	-1	0	305.338	0.303	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000899938492	663202796	/nfs/dbraw/zinc/20/27/96/663202796.db2.gz	MWXDVJGSHMQUOU-ITGUQSILSA-N	-1	0	324.333	0.790	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1=O	ZINC000901567077	663351414	/nfs/dbraw/zinc/35/14/14/663351414.db2.gz	YLCTVDAFVYXIEC-IUCAKERBSA-N	-1	0	303.240	0.908	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC000903408620	663453945	/nfs/dbraw/zinc/45/39/45/663453945.db2.gz	RIOFYWREVUNYDA-CQSZACIVSA-N	-1	0	322.386	0.859	20	30		DCEDRM
C=CCOc1ccc(C(=O)N=c2nn[n-]n2CCOC)cc1	ZINC000906301646	663609791	/nfs/dbraw/zinc/60/97/91/663609791.db2.gz	YNQHDLBVALZOEE-UHFFFAOYSA-N	-1	0	303.322	0.559	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)[C@H]1CCCO1	ZINC000906935769	663652804	/nfs/dbraw/zinc/65/28/04/663652804.db2.gz	WULYHIHQHCMBFB-CMPLNLGQSA-N	-1	0	312.347	0.182	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC000907939040	663724539	/nfs/dbraw/zinc/72/45/39/663724539.db2.gz	ATCGQPVAMCHOLV-UHFFFAOYSA-N	-1	0	311.345	0.234	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000908768687	663768853	/nfs/dbraw/zinc/76/88/53/663768853.db2.gz	MRDUKUBVUSWCHX-CHWSQXEVSA-N	-1	0	313.398	0.768	20	30		DCEDRM
C#CCSCCNC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000909051712	663779802	/nfs/dbraw/zinc/77/98/02/663779802.db2.gz	FKRRSTKMDSJUQI-NEPJUHHUSA-N	-1	0	314.407	0.922	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1OC)C(=O)[O-]	ZINC000909193773	663786370	/nfs/dbraw/zinc/78/63/70/663786370.db2.gz	LFGMCXXWGRQWOB-KXNHARMFSA-N	-1	0	300.355	0.897	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@H](c2nccn2C)C1	ZINC000909229334	663788191	/nfs/dbraw/zinc/78/81/91/663788191.db2.gz	OGYCMTJBBFMMQU-RYUDHWBXSA-N	-1	0	322.365	0.922	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1)C(=O)[O-]	ZINC000910053736	663837503	/nfs/dbraw/zinc/83/75/03/663837503.db2.gz	CURVEVBPHMHVLG-CHWSQXEVSA-N	-1	0	323.393	0.657	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1)C(=O)[O-]	ZINC000910046149	663840540	/nfs/dbraw/zinc/84/05/40/663840540.db2.gz	MDNUDSPMFBMATB-MGPQQGTHSA-N	-1	0	303.314	0.736	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)C(=O)[O-]	ZINC000910049551	663840578	/nfs/dbraw/zinc/84/05/78/663840578.db2.gz	XENNVNOJHYPKHC-NXEZZACHSA-N	-1	0	306.284	0.853	20	30		DCEDRM
CN(C[Si](C)(C)C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000911723044	664102410	/nfs/dbraw/zinc/10/24/10/664102410.db2.gz	SFJAPRAGJWFHLW-UHFFFAOYSA-N	-1	0	308.414	0.546	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)Cn2ccc(C(=O)[O-])n2)n1	ZINC000911721409	664102519	/nfs/dbraw/zinc/10/25/19/664102519.db2.gz	PUWOTKWCFYJTMT-UHFFFAOYSA-N	-1	0	315.333	0.460	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](c2cc(=O)[nH][nH]2)C1	ZINC000911850877	664116910	/nfs/dbraw/zinc/11/69/10/664116910.db2.gz	ARVOQEVGZOMPNT-DGCLKSJQSA-N	-1	0	306.366	0.902	20	30		DCEDRM
C=CCCN1CC(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC001030624576	664609595	/nfs/dbraw/zinc/60/95/95/664609595.db2.gz	MDTSRWBJIUFONR-UHFFFAOYSA-N	-1	0	306.410	0.751	20	30		DCEDRM
N#Cc1ccccc1C=CC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000732089477	664901942	/nfs/dbraw/zinc/90/19/42/664901942.db2.gz	IHQWHLDRCGKKPM-SZZPACECSA-N	-1	0	310.317	0.685	20	30		DCEDRM
CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000916809128	665093806	/nfs/dbraw/zinc/09/38/06/665093806.db2.gz	BBQDJYDGHTVSDQ-SECBINFHSA-N	-1	0	309.347	0.278	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnn2cccnc12	ZINC000916869332	665097903	/nfs/dbraw/zinc/09/79/03/665097903.db2.gz	XAVXJWURGDJEMC-NSHDSACASA-N	-1	0	315.333	0.595	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccc(C(N)=O)c1	ZINC000916870161	665098012	/nfs/dbraw/zinc/09/80/12/665098012.db2.gz	BITRXGLWHISNKO-GFCCVEGCSA-N	-1	0	303.318	0.261	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn2cccnc12	ZINC000916871582	665098022	/nfs/dbraw/zinc/09/80/22/665098022.db2.gz	XIIQNAYQKRIEDF-SNVBAGLBSA-N	-1	0	301.306	0.204	20	30		DCEDRM
CNc1ccc(C([O-])=C(C#N)C(=O)NCCOC)cc1[N+](=O)[O-]	ZINC000916891529	665099541	/nfs/dbraw/zinc/09/95/41/665099541.db2.gz	BZECJYQVJJLSNO-SNVBAGLBSA-N	-1	0	320.305	0.722	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc([S@](C)=O)cc1	ZINC000916893108	665099837	/nfs/dbraw/zinc/09/98/37/665099837.db2.gz	WJJYOXAYFVACRM-QKVFXAPYSA-N	-1	0	308.359	0.509	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(OCC(N)=O)cc1	ZINC000916945657	665103860	/nfs/dbraw/zinc/10/38/60/665103860.db2.gz	VDPGTYQJZFEPSG-GFCCVEGCSA-N	-1	0	303.318	0.398	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)c1	ZINC000917418784	665131102	/nfs/dbraw/zinc/13/11/02/665131102.db2.gz	WQGFFOIJXFUDRX-UHFFFAOYSA-N	-1	0	318.314	0.104	20	30		DCEDRM
C#CCSCCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000919874777	665241176	/nfs/dbraw/zinc/24/11/76/665241176.db2.gz	FBRXLOJASMRNSB-JTQLQIEISA-N	-1	0	309.395	0.766	20	30		DCEDRM
CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001033016771	666428486	/nfs/dbraw/zinc/42/84/86/666428486.db2.gz	CTTRKZMYOGSYCT-SNVBAGLBSA-N	-1	0	315.337	0.057	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H](C)NC(=O)C1CCCC1	ZINC000132770738	666598617	/nfs/dbraw/zinc/59/86/17/666598617.db2.gz	POURXQNWRVMIPH-SNVBAGLBSA-N	-1	0	302.396	0.703	20	30		DCEDRM
C#CCN1CC[C@@H](N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001033584336	666768889	/nfs/dbraw/zinc/76/88/89/666768889.db2.gz	ZLHHTIQFSWQIIE-SNVBAGLBSA-N	-1	0	300.318	0.708	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2cc(=O)[nH][n-]2)CCN1Cc1ccccc1	ZINC000734026482	666836635	/nfs/dbraw/zinc/83/66/35/666836635.db2.gz	STUIPHTTZVEYDR-ZDUSSCGKSA-N	-1	0	311.345	0.099	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)nn1	ZINC000861158966	666906057	/nfs/dbraw/zinc/90/60/57/666906057.db2.gz	CVSNBEIFEDFATN-UHFFFAOYSA-N	-1	0	320.321	0.712	20	30		DCEDRM
C=CCCO[N-]C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1	ZINC000862217457	667031321	/nfs/dbraw/zinc/03/13/21/667031321.db2.gz	FNNWSWRVLJQQNL-UHFFFAOYSA-N	-1	0	320.345	0.994	20	30		DCEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NN[C@H]1CCCS(=O)(=O)C1	ZINC000863134428	667113697	/nfs/dbraw/zinc/11/36/97/667113697.db2.gz	QUTIYVMLSFPIOR-JTQLQIEISA-N	-1	0	313.335	0.801	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1cncn1CC)C(=O)[O-]	ZINC000863420449	667142497	/nfs/dbraw/zinc/14/24/97/667142497.db2.gz	OIPQWQJBJFJJKQ-QMMMGPOBSA-N	-1	0	307.759	0.777	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000863944020	667196440	/nfs/dbraw/zinc/19/64/40/667196440.db2.gz	BATOEYDEKHHYAA-GFCCVEGCSA-N	-1	0	301.302	0.798	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)[O-]	ZINC000864182636	667222398	/nfs/dbraw/zinc/22/23/98/667222398.db2.gz	BZINDBWNQWOXPP-SSDOTTSWSA-N	-1	0	302.674	0.503	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)COCc1ccnn1C)C(=O)[O-]	ZINC000864189751	667223037	/nfs/dbraw/zinc/22/30/37/667223037.db2.gz	UDGOQGJQZWBRRP-JTQLQIEISA-N	-1	0	301.730	0.649	20	30		DCEDRM
Cn1ncc(C#N)c1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000866282199	667370293	/nfs/dbraw/zinc/37/02/93/667370293.db2.gz	FWXRNEGLWLGJHZ-NSHDSACASA-N	-1	0	301.272	0.939	20	30		DCEDRM
N#C[C@@]12CN(C(=O)c3cccc(F)c3[O-])C[C@@H]1CS(=O)(=O)C2	ZINC000885321959	667667993	/nfs/dbraw/zinc/66/79/93/667667993.db2.gz	JMRBQFNJJKDZOA-OTYXRUKQSA-N	-1	0	324.333	0.542	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000838847430	667713644	/nfs/dbraw/zinc/71/36/44/667713644.db2.gz	JTHOCOYHWRULDO-UHFFFAOYSA-N	-1	0	324.358	0.500	20	30		DCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCCC1	ZINC000838854673	667714749	/nfs/dbraw/zinc/71/47/49/667714749.db2.gz	FMDCLETUMMGEED-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)cc(C(=O)OC)c1	ZINC000838871634	667715853	/nfs/dbraw/zinc/71/58/53/667715853.db2.gz	QWOFFMKIZHRVEL-UHFFFAOYSA-N	-1	0	309.343	0.865	20	30		DCEDRM
COC(=O)c1cc(C)cc(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000838891192	667718718	/nfs/dbraw/zinc/71/87/18/667718718.db2.gz	MYWHAMHZIRHXDJ-UHFFFAOYSA-N	-1	0	310.331	0.755	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)[C@H](CCC)C(=O)OCC	ZINC000838894340	667718889	/nfs/dbraw/zinc/71/88/89/667718889.db2.gz	LZWBQUZDBYLRQY-LLVKDONJSA-N	-1	0	303.380	0.968	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\COC1CCOCC1	ZINC000870332357	667731746	/nfs/dbraw/zinc/73/17/46/667731746.db2.gz	UDLHERLOCFZCOM-PLNGDYQASA-N	-1	0	301.364	0.208	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CNC(=O)c2ccccc2)CC1	ZINC000870834330	667764862	/nfs/dbraw/zinc/76/48/62/667764862.db2.gz	VMSHUVIGRRCUCQ-UHFFFAOYSA-N	-1	0	308.359	0.581	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)NC)c2)CC1	ZINC000870834970	667765459	/nfs/dbraw/zinc/76/54/59/667765459.db2.gz	WYUCRAGZCBUPGO-UHFFFAOYSA-N	-1	0	308.359	0.824	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@]2(CC(C)C)CCNC2=O)CC1	ZINC000870839019	667765526	/nfs/dbraw/zinc/76/55/26/667765526.db2.gz	COJVBTVIQSQEIO-CQSZACIVSA-N	-1	0	314.407	0.703	20	30		DCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)nnn1C	ZINC000744013672	667819432	/nfs/dbraw/zinc/81/94/32/667819432.db2.gz	GHMMOZCFSDLYHP-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	ZINC000871771810	667847996	/nfs/dbraw/zinc/84/79/96/667847996.db2.gz	KKQZMMFHOUEEHM-NTZNESFSSA-N	-1	0	306.343	0.899	20	30		DCEDRM
N#CCn1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cn1	ZINC000747406491	667902083	/nfs/dbraw/zinc/90/20/83/667902083.db2.gz	FAZLTUDXWHIWFH-UHFFFAOYSA-N	-1	0	317.330	0.702	20	30		DCEDRM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cnn(CC#N)c1	ZINC000747406234	667902393	/nfs/dbraw/zinc/90/23/93/667902393.db2.gz	AZFQUDKZPWBDBX-UHFFFAOYSA-N	-1	0	314.758	0.903	20	30		DCEDRM
CCOC(=O)c1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)o1	ZINC000748245366	667922140	/nfs/dbraw/zinc/92/21/40/667922140.db2.gz	YNTZQQRMLUGAOV-UHFFFAOYSA-N	-1	0	308.319	0.887	20	30		DCEDRM
COc1ccc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1	ZINC000753946104	668038545	/nfs/dbraw/zinc/03/85/45/668038545.db2.gz	XZDNFCYYFAAGIY-UHFFFAOYSA-N	-1	0	308.359	0.987	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnn3cccnc23)CC1	ZINC000753944590	668038570	/nfs/dbraw/zinc/03/85/70/668038570.db2.gz	AGAHBZZXSZSWMB-UHFFFAOYSA-N	-1	0	305.319	0.093	20	30		DCEDRM
Cn1nc(Br)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000759431585	668219848	/nfs/dbraw/zinc/21/98/48/668219848.db2.gz	LHDPAOYSUXLHTP-SSDOTTSWSA-N	-1	0	311.139	0.784	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C12CCC(C(=O)OC)(CC1)C2	ZINC000759611099	668228382	/nfs/dbraw/zinc/22/83/82/668228382.db2.gz	ALMJQZVGHNFAGU-UHFFFAOYSA-N	-1	0	301.364	0.742	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(OC(C)C)c1	ZINC000759835732	668241717	/nfs/dbraw/zinc/24/17/17/668241717.db2.gz	UPBQOOALUYYLPJ-LBPRGKRZSA-N	-1	0	305.334	0.954	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1c2ccccc2n(C)c1=O	ZINC000762052122	668344978	/nfs/dbraw/zinc/34/49/78/668344978.db2.gz	YWFYRCFXSRYVHT-UHFFFAOYSA-N	-1	0	303.318	0.439	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CCSC[C@@H]2c2nnn[n-]2)cc1	ZINC000763008292	668389707	/nfs/dbraw/zinc/38/97/07/668389707.db2.gz	QDSSGAKTKDEOBT-GFCCVEGCSA-N	-1	0	314.374	0.931	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1cccc(OCCOC)c1	ZINC000763021062	668391686	/nfs/dbraw/zinc/39/16/86/668391686.db2.gz	VJCZMMIYTWTRTM-UHFFFAOYSA-N	-1	0	313.375	0.886	20	30		DCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000764215059	668439809	/nfs/dbraw/zinc/43/98/09/668439809.db2.gz	CUSKGMOJBVPSHX-NSHDSACASA-N	-1	0	310.375	0.972	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@]23CCOC3)c1	ZINC000764759404	668461667	/nfs/dbraw/zinc/46/16/67/668461667.db2.gz	DLKKVCGQXDIIQE-ZFWWWQNUSA-N	-1	0	320.370	0.931	20	30		DCEDRM
O=C([O-])c1ccc2c(C=Nn3c(=O)cn[nH]c3=S)[nH]nc2c1	ZINC000766482221	668536803	/nfs/dbraw/zinc/53/68/03/668536803.db2.gz	GOGMHNWDXCXYLP-UHFFFAOYSA-N	-1	0	316.302	0.384	20	30		DCEDRM
COC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000766838532	668548085	/nfs/dbraw/zinc/54/80/85/668548085.db2.gz	JOEHSFSBVHCRFE-UHFFFAOYSA-N	-1	0	308.315	0.316	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C1(OC)CCC1	ZINC000766983895	668555853	/nfs/dbraw/zinc/55/58/53/668555853.db2.gz	YTIOVPNRSXNAJW-UHFFFAOYSA-N	-1	0	324.358	0.941	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)c1cc(OC(F)F)n(C)n1	ZINC000768001853	668596003	/nfs/dbraw/zinc/59/60/03/668596003.db2.gz	VNSMZZJQJGFMNW-SSDOTTSWSA-N	-1	0	323.259	0.960	20	30		DCEDRM
NC(=O)CNC(=S)NN=Cc1cc(Cl)cc(F)c1[O-]	ZINC000768362771	668606204	/nfs/dbraw/zinc/60/62/04/668606204.db2.gz	QONABTHBFUBGBI-UHFFFAOYSA-N	-1	0	304.734	0.468	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)C(C)(C)C(N)=O)n1	ZINC000769676645	668656514	/nfs/dbraw/zinc/65/65/14/668656514.db2.gz	JXCKYTBRIJVVGQ-MRVPVSSYSA-N	-1	0	309.347	0.683	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1	ZINC000770207107	668683721	/nfs/dbraw/zinc/68/37/21/668683721.db2.gz	MNWJAYCNAMGPJG-UHFFFAOYSA-N	-1	0	301.368	0.609	20	30		DCEDRM
Cc1ccn2ncc(C([O-])=C(C#N)C(=O)c3nccn3C)c2n1	ZINC000770866922	668720900	/nfs/dbraw/zinc/72/09/00/668720900.db2.gz	ZMGLHGCNIXVRER-SNVBAGLBSA-N	-1	0	308.301	0.977	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCC(=O)c1ccccn1	ZINC000770910074	668722302	/nfs/dbraw/zinc/72/23/02/668722302.db2.gz	YZWUCSNEGVYMKG-UHFFFAOYSA-N	-1	0	309.347	0.794	20	30		DCEDRM
CCCn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)nn1	ZINC000771075813	668730172	/nfs/dbraw/zinc/73/01/72/668730172.db2.gz	AKGYDUIMRUEQTH-UHFFFAOYSA-N	-1	0	311.367	0.442	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnn3c2CCCC3)CCC1	ZINC000771074206	668730246	/nfs/dbraw/zinc/73/02/46/668730246.db2.gz	AKEWTRGMRYHYAT-UHFFFAOYSA-N	-1	0	322.390	0.973	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC000772710608	668781888	/nfs/dbraw/zinc/78/18/88/668781888.db2.gz	PNEFLKWOVIXHIS-RNFRBKRXSA-N	-1	0	314.285	0.076	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C)nc2c1c(C)nn2C	ZINC000772717822	668782125	/nfs/dbraw/zinc/78/21/25/668782125.db2.gz	RJGMAPKETXMFIP-UHFFFAOYSA-N	-1	0	308.363	0.831	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)CCOC	ZINC000775241098	668859745	/nfs/dbraw/zinc/85/97/45/668859745.db2.gz	UXBYKNMOMHNPNH-UHFFFAOYSA-N	-1	0	300.336	0.352	20	30		DCEDRM
C=CCCOCCCCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000775725616	668867045	/nfs/dbraw/zinc/86/70/45/668867045.db2.gz	JVJKFZZBWASKFO-GFCCVEGCSA-N	-1	0	309.370	0.863	20	30		DCEDRM
CN(C)C(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)cc1	ZINC000776115412	668871090	/nfs/dbraw/zinc/87/10/90/668871090.db2.gz	MOYHSGMLPMFRHH-UHFFFAOYSA-N	-1	0	323.374	0.752	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC000776503172	668876966	/nfs/dbraw/zinc/87/69/66/668876966.db2.gz	NLFBVSKFURUZCV-WCQYABFASA-N	-1	0	324.358	0.467	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000777390861	668886819	/nfs/dbraw/zinc/88/68/19/668886819.db2.gz	BJTCRSAKRFBOOM-ZDUSSCGKSA-N	-1	0	312.333	0.408	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C(CC)CC)N1CCOCC1	ZINC000778693036	668902759	/nfs/dbraw/zinc/90/27/59/668902759.db2.gz	QIDNPIVTQVUBIB-ZDUSSCGKSA-N	-1	0	318.439	0.755	20	30		DCEDRM
N#CCn1cc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cn1	ZINC000779832066	668942656	/nfs/dbraw/zinc/94/26/56/668942656.db2.gz	MPALXOHZCPTRLH-UHFFFAOYSA-N	-1	0	306.351	0.740	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H]1[C@@H]2CCCO[C@H]12	ZINC000780293057	668977565	/nfs/dbraw/zinc/97/75/65/668977565.db2.gz	QEHNWHJCLOBSAC-MJBXVCDLSA-N	-1	0	320.370	0.929	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC000783095341	669143306	/nfs/dbraw/zinc/14/33/06/669143306.db2.gz	HMAXHHHIGOALTN-CYBMUJFWSA-N	-1	0	321.395	0.614	20	30		DCEDRM
COCCOCCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783193625	669148032	/nfs/dbraw/zinc/14/80/32/669148032.db2.gz	LNLFMBQVBWMTTF-UHFFFAOYSA-N	-1	0	320.305	0.403	20	30		DCEDRM
C[C@@](O)(CC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1	ZINC000784367696	669201943	/nfs/dbraw/zinc/20/19/43/669201943.db2.gz	PEBYPZRBGUFZIR-OAHLLOKOSA-N	-1	0	316.317	0.901	20	30		DCEDRM
CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(=O)[nH][n-]2)C1	ZINC000880656878	669254940	/nfs/dbraw/zinc/25/49/40/669254940.db2.gz	BTMQQRDGMMCOAC-ZDUSSCGKSA-N	-1	0	311.345	0.471	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CC1CCC2(CC1)OCCO2	ZINC000788369360	669434226	/nfs/dbraw/zinc/43/42/26/669434226.db2.gz	XGYVQLYWRYTVAS-UHFFFAOYSA-N	-1	0	303.380	0.942	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)[N-]OCCOC	ZINC000789825548	669512040	/nfs/dbraw/zinc/51/20/40/669512040.db2.gz	PJGJPWGSOFKYTQ-UHFFFAOYSA-N	-1	0	307.306	0.590	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(C[S@](C)=O)c1	ZINC000791111667	669594498	/nfs/dbraw/zinc/59/44/98/669594498.db2.gz	WESYNROFXFDLGZ-IBGZPJMESA-N	-1	0	313.400	0.648	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OC)c(Cl)n1	ZINC000810776170	669665504	/nfs/dbraw/zinc/66/55/04/669665504.db2.gz	JDHIJEOKJHBWJK-UHFFFAOYSA-N	-1	0	302.739	0.827	20	30		DCEDRM
CC[C@@H](NN=C1C(=O)Nc2cc3c(cc21)OCCCO3)C(=O)[O-]	ZINC000793058514	669699740	/nfs/dbraw/zinc/69/97/40/669699740.db2.gz	VDZYKHVYDZNMFZ-SECBINFHSA-N	-1	0	319.317	0.957	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2COc3ccccc3C2)CC1	ZINC000793194658	669706779	/nfs/dbraw/zinc/70/67/79/669706779.db2.gz	TYWRUXXRVZIIJN-LBPRGKRZSA-N	-1	0	320.370	0.987	20	30		DCEDRM
Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cn1	ZINC000793194398	669706800	/nfs/dbraw/zinc/70/68/00/669706800.db2.gz	JSTORNMVWHLYAL-UHFFFAOYSA-N	-1	0	310.379	0.447	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)Oc2cccnc2C#N)c[n-]1	ZINC000795285335	669882276	/nfs/dbraw/zinc/88/22/76/669882276.db2.gz	VBELWUCFSUZHSY-UHFFFAOYSA-N	-1	0	307.287	0.836	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)[nH]1	ZINC000796740327	669941502	/nfs/dbraw/zinc/94/15/02/669941502.db2.gz	KFAUKOZTYHZIGP-SECBINFHSA-N	-1	0	307.306	0.276	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2cccc3c[nH]nc32)cn1	ZINC000048676303	669941885	/nfs/dbraw/zinc/94/18/85/669941885.db2.gz	PSTKHYAIXAHUHA-UHFFFAOYSA-N	-1	0	305.319	0.990	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CCn1cnc2ccccc2c1=O	ZINC000191250769	669996299	/nfs/dbraw/zinc/99/62/99/669996299.db2.gz	WNBGYBRWXCRUHV-UHFFFAOYSA-N	-1	0	315.329	0.886	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1)n1cnc(C#N)n1	ZINC000798811685	670025407	/nfs/dbraw/zinc/02/54/07/670025407.db2.gz	DZXWWUKPYAPHGV-VIFPVBQESA-N	-1	0	305.319	0.216	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)c1ccccc1[N-]S(=O)(=O)CC	ZINC000799075955	670037335	/nfs/dbraw/zinc/03/73/35/670037335.db2.gz	GIBQOCQYQVVRKM-LBPRGKRZSA-N	-1	0	324.402	0.952	20	30		DCEDRM
C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)O1	ZINC000800406578	670089712	/nfs/dbraw/zinc/08/97/12/670089712.db2.gz	MLTBRNQYROYKIH-GMTAPVOTSA-N	-1	0	300.380	0.940	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CCc1scnc1C	ZINC000803024424	670233859	/nfs/dbraw/zinc/23/38/59/670233859.db2.gz	HPJNHHDXIXFJGW-UHFFFAOYSA-N	-1	0	304.393	0.643	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC000951865646	670393878	/nfs/dbraw/zinc/39/38/78/670393878.db2.gz	WMMLLXRULLVFDQ-PSASIEDQSA-N	-1	0	305.338	0.304	20	30		DCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)nn1	ZINC000808999383	670434753	/nfs/dbraw/zinc/43/47/53/670434753.db2.gz	IXHBKVHXCRSIJQ-UHFFFAOYSA-N	-1	0	311.367	0.349	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@H]2CCCC(=O)N2)CCC1	ZINC000809000313	670434898	/nfs/dbraw/zinc/43/48/98/670434898.db2.gz	OGJUXFHKPOBCKL-SNVBAGLBSA-N	-1	0	313.379	0.185	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000810605483	670491504	/nfs/dbraw/zinc/49/15/04/670491504.db2.gz	NEMARJFDCVIMFX-UHFFFAOYSA-N	-1	0	304.327	0.845	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1=Cc2cccc(OC)c2OC1	ZINC000810775600	670497235	/nfs/dbraw/zinc/49/72/35/670497235.db2.gz	MGQVQNFHNHQBLA-UHFFFAOYSA-N	-1	0	321.354	0.940	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C(=O)c1cnn(C(C)(C)C)c1	ZINC000810775538	670497253	/nfs/dbraw/zinc/49/72/53/670497253.db2.gz	JYAFYTPOIAVXCP-UHFFFAOYSA-N	-1	0	311.363	0.290	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)cc1	ZINC000810779055	670497388	/nfs/dbraw/zinc/49/73/88/670497388.db2.gz	WMHCAFKXJPMUHN-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)c1	ZINC000810779158	670497577	/nfs/dbraw/zinc/49/75/77/670497577.db2.gz	AYXMUGDBINFTQJ-UHFFFAOYSA-N	-1	0	317.370	0.884	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1csc(S(C)(=O)=O)c1	ZINC000810781794	670497803	/nfs/dbraw/zinc/49/78/03/670497803.db2.gz	UQBRTYMWSTZTHC-UHFFFAOYSA-N	-1	0	321.401	0.235	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1nc(-c2ccoc2)no1	ZINC000810780720	670497814	/nfs/dbraw/zinc/49/78/14/670497814.db2.gz	OMEHCAGPAFOLEO-UHFFFAOYSA-N	-1	0	323.330	0.732	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1nc(SC)ncc1Cl	ZINC000810783620	670498017	/nfs/dbraw/zinc/49/80/17/670498017.db2.gz	XLIOPILXEBXZGX-UHFFFAOYSA-N	-1	0	319.795	0.935	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1	ZINC000810983577	670501906	/nfs/dbraw/zinc/50/19/06/670501906.db2.gz	DAJKMTRFEVRNSV-SNVBAGLBSA-N	-1	0	315.395	0.332	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)Cc2nc3ncccn3n2)CC1	ZINC000810983047	670501921	/nfs/dbraw/zinc/50/19/21/670501921.db2.gz	FKLWUERUVUPGEH-UHFFFAOYSA-N	-1	0	321.362	0.222	20	30		DCEDRM
C#CCON=C(C)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1	ZINC000812236419	670569336	/nfs/dbraw/zinc/56/93/36/670569336.db2.gz	OUQIACYZRGJDLV-UHFFFAOYSA-N	-1	0	324.358	0.813	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1	ZINC000812786491	670595754	/nfs/dbraw/zinc/59/57/54/670595754.db2.gz	LWKBVKPVRXWQEV-DZGCQCFKSA-N	-1	0	302.330	0.896	20	30		DCEDRM
C#CCO[N-]C(=O)CNS(=O)(=O)c1ccc(Cl)s1	ZINC000812786181	670595881	/nfs/dbraw/zinc/59/58/81/670595881.db2.gz	GANWEBHVTPTQBO-UHFFFAOYSA-N	-1	0	308.768	0.361	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000813956550	670666651	/nfs/dbraw/zinc/66/66/51/670666651.db2.gz	PAXKAJQTCSYIKG-UHFFFAOYSA-N	-1	0	301.368	0.516	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)[N-]OC1CCOCC1	ZINC000814181463	670679162	/nfs/dbraw/zinc/67/91/62/670679162.db2.gz	ZXKDRRVUQUSJMX-WCQYABFASA-N	-1	0	312.366	0.311	20	30		DCEDRM
O=C1NC(=O)C(=N[N-]c2ncnc3c4ccccc4oc32)C(=O)N1	ZINC000814217029	670681127	/nfs/dbraw/zinc/68/11/27/670681127.db2.gz	NKYIILUQTCGVEY-UHFFFAOYSA-N	-1	0	324.256	0.510	20	30		DCEDRM
CCn1ncn(N=Cc2ccc([N+](=O)[O-])c(OC)c2O)c1=O	ZINC000814233704	670682534	/nfs/dbraw/zinc/68/25/34/670682534.db2.gz	CYIFFYJVVZBZIU-UHFFFAOYSA-N	-1	0	307.266	0.569	20	30		DCEDRM
Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000113657850	670756606	/nfs/dbraw/zinc/75/66/06/670756606.db2.gz	LVXMZTPUWAAVPD-UHFFFAOYSA-N	-1	0	318.358	0.860	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(F)c(C)cc1F	ZINC000849219389	670766012	/nfs/dbraw/zinc/76/60/12/670766012.db2.gz	SPRGOVJZIWDQJO-UHFFFAOYSA-N	-1	0	303.286	0.982	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000849220079	670766412	/nfs/dbraw/zinc/76/64/12/670766412.db2.gz	FKGIEVGCIKNLRB-UHFFFAOYSA-N	-1	0	312.303	0.444	20	30		DCEDRM
C#CC[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	ZINC000849331950	670777957	/nfs/dbraw/zinc/77/79/57/670777957.db2.gz	GFWNGMDWJAKSRF-RYUDHWBXSA-N	-1	0	300.380	0.516	20	30		DCEDRM
COC[C@H](OC)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000850197911	670894290	/nfs/dbraw/zinc/89/42/90/670894290.db2.gz	BHLRLPATSSWNQY-ONGXEEELSA-N	-1	0	312.347	0.832	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1	ZINC000817114781	670896133	/nfs/dbraw/zinc/89/61/33/670896133.db2.gz	KBEJOWNKKDCADS-KRWDZBQOSA-N	-1	0	314.341	0.607	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC000817114797	670896199	/nfs/dbraw/zinc/89/61/99/670896199.db2.gz	KRSWNJVNLPHCOF-UHFFFAOYSA-N	-1	0	314.341	0.607	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O	ZINC000850475602	670916680	/nfs/dbraw/zinc/91/66/80/670916680.db2.gz	BKDPBVMXYYTCMT-UHFFFAOYSA-N	-1	0	303.318	0.535	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCOC1	ZINC000850740309	670937564	/nfs/dbraw/zinc/93/75/64/670937564.db2.gz	VGIUQMCMLIXVLN-YPMHNXCESA-N	-1	0	324.358	0.415	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)c2ccccn2)CCOCC1	ZINC000850847798	670948689	/nfs/dbraw/zinc/94/86/89/670948689.db2.gz	JDWJPNBFZMOSKB-UHFFFAOYSA-N	-1	0	309.347	0.597	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1CCC(C(=O)N(C)C)CC1	ZINC000850912482	670954244	/nfs/dbraw/zinc/95/42/44/670954244.db2.gz	BRSROYXPCPNBDV-UHFFFAOYSA-N	-1	0	302.396	0.513	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CCCC1	ZINC000850941052	670956166	/nfs/dbraw/zinc/95/61/66/670956166.db2.gz	YFONCUSQBSDSRX-LLVKDONJSA-N	-1	0	300.380	0.941	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCCC1	ZINC000850949228	670956997	/nfs/dbraw/zinc/95/69/97/670956997.db2.gz	UWLLSOMCNIMULN-GDNZZTSVSA-N	-1	0	312.391	0.799	20	30		DCEDRM
COCCCOCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000850961179	670958052	/nfs/dbraw/zinc/95/80/52/670958052.db2.gz	VMNSLKORRCUWLO-UHFFFAOYSA-N	-1	0	318.395	0.569	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C	ZINC000850999632	670960213	/nfs/dbraw/zinc/96/02/13/670960213.db2.gz	HSGTVALBKHHYKM-CYBMUJFWSA-N	-1	0	319.379	0.203	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)[N-]C(=O)C2=CCOCC2)c1	ZINC000851191902	670972782	/nfs/dbraw/zinc/97/27/82/670972782.db2.gz	RWSSXJPTJOXZFU-UHFFFAOYSA-N	-1	0	324.333	0.990	20	30		DCEDRM
N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851360495	670980337	/nfs/dbraw/zinc/98/03/37/670980337.db2.gz	WNAJFGLTLAOLOX-UHFFFAOYSA-N	-1	0	304.274	0.914	20	30		DCEDRM
C#Cc1cccc(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1	ZINC000851650559	671004414	/nfs/dbraw/zinc/00/44/14/671004414.db2.gz	CTJIXOZNTSFOHD-RHSMWYFYSA-N	-1	0	314.341	0.911	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)N2CCCC2)CCOCC1	ZINC000819960054	671149995	/nfs/dbraw/zinc/14/99/95/671149995.db2.gz	RQHNSOJPIWCEIT-UHFFFAOYSA-N	-1	0	302.396	0.816	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)CCOCC1	ZINC000820067757	671162036	/nfs/dbraw/zinc/16/20/36/671162036.db2.gz	JZLHYSMFJTYWSI-LLVKDONJSA-N	-1	0	303.380	0.594	20	30		DCEDRM
CC(C)(C)OC(=O)N(CC(=O)N[C@H]1CCN(O)C1=O)C1CC1	ZINC000820148762	671172208	/nfs/dbraw/zinc/17/22/08/671172208.db2.gz	JMRSBQLPIONXMV-JTQLQIEISA-N	-1	0	313.354	0.492	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@H]2Cc2ccccc2)c(=O)[n-]c1=O	ZINC000820545148	671209361	/nfs/dbraw/zinc/20/93/61/671209361.db2.gz	SAGLAUFMQQZAKW-AWEZNQCLSA-N	-1	0	324.340	0.664	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccnc2ccnn21	ZINC000860461151	671210688	/nfs/dbraw/zinc/21/06/88/671210688.db2.gz	FPYYYDSEHRPJSV-SNVBAGLBSA-N	-1	0	301.306	0.204	20	30		DCEDRM
COC[C@H](CS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1)OC	ZINC000853200700	671217382	/nfs/dbraw/zinc/21/73/82/671217382.db2.gz	PJYDVNLVVWSKTQ-GFCCVEGCSA-N	-1	0	312.347	0.279	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)N(C)C(=O)CO2	ZINC000860722283	671233593	/nfs/dbraw/zinc/23/35/93/671233593.db2.gz	VTKQMDFCPVQNPZ-UHFFFAOYSA-N	-1	0	322.342	0.125	20	30		DCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2cnnn2-c2ccccc2)nn1	ZINC000821008629	671245156	/nfs/dbraw/zinc/24/51/56/671245156.db2.gz	RJSDGWICFCALLP-SREVYHEPSA-N	-1	0	324.300	0.840	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C\c2ccc(F)cc2)c(=O)n(C)c1=O	ZINC000821013329	671246033	/nfs/dbraw/zinc/24/60/33/671246033.db2.gz	YVSNLJJTHCTVMR-YVMONPNESA-N	-1	0	304.277	0.825	20	30		DCEDRM
CCN(CCC#N)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000821207477	671262271	/nfs/dbraw/zinc/26/22/71/671262271.db2.gz	NRSJAUHVAKJSMO-CYBMUJFWSA-N	-1	0	316.365	0.842	20	30		DCEDRM
C[C@H](NC(=O)c1cccs1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821584158	671284871	/nfs/dbraw/zinc/28/48/71/671284871.db2.gz	SVGCPFKERQBZNI-QMMMGPOBSA-N	-1	0	315.376	0.226	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F	ZINC000824659764	671435840	/nfs/dbraw/zinc/43/58/40/671435840.db2.gz	LSIFXSUMMUMJMN-HTQZYQBOSA-N	-1	0	301.286	0.833	20	30		DCEDRM
CCOC(=O)c1ccc(NC(=O)CN(CC#N)CC(=O)[O-])cc1	ZINC000829881743	671593861	/nfs/dbraw/zinc/59/38/61/671593861.db2.gz	XIECYDVMCQSHSW-UHFFFAOYSA-N	-1	0	319.317	0.712	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CC[C@H]1CCCO1	ZINC000831091970	671652964	/nfs/dbraw/zinc/65/29/64/671652964.db2.gz	OJBCXJATZGVVGZ-GHMZBOCLSA-N	-1	0	317.367	0.073	20	30		DCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C)c(C#N)cn2)C1=O	ZINC000834789768	671780585	/nfs/dbraw/zinc/78/05/85/671780585.db2.gz	KVMBTKQNHUFTAV-AWEZNQCLSA-N	-1	0	301.306	0.627	20	30		DCEDRM
C#CCCOc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc1	ZINC000835162738	671790103	/nfs/dbraw/zinc/79/01/03/671790103.db2.gz	WPTDLHQNBZBBLK-CQSZACIVSA-N	-1	0	323.370	0.937	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1	ZINC000835264583	671792003	/nfs/dbraw/zinc/79/20/03/671792003.db2.gz	KIMAXERGULCOKW-MNOVXSKESA-N	-1	0	313.379	0.607	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(c2ccccc2)C1	ZINC000835372383	671794558	/nfs/dbraw/zinc/79/45/58/671794558.db2.gz	SSWFRGJRSRAVLU-CYBMUJFWSA-N	-1	0	306.387	0.982	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CCc1cccc([N+](=O)[O-])c1	ZINC000835409967	671795363	/nfs/dbraw/zinc/79/53/63/671795363.db2.gz	BYMZEOLVDDALDK-UHFFFAOYSA-N	-1	0	311.319	0.887	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCN(c2ccccc2)C1	ZINC000835409621	671795499	/nfs/dbraw/zinc/79/54/99/671795499.db2.gz	JXISSFNXOAACQP-LBPRGKRZSA-N	-1	0	307.375	0.873	20	30		DCEDRM
C[C@H](Oc1cccc(F)c1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835411336	671795901	/nfs/dbraw/zinc/79/59/01/671795901.db2.gz	IUOOSCCREDMNDA-VIFPVBQESA-N	-1	0	300.311	0.953	20	30		DCEDRM
C#C[C@H]([N-]S(=O)(=O)N=S(=O)(CC)CC)[C@@H]1CCCO1	ZINC000867125956	671797850	/nfs/dbraw/zinc/79/78/50/671797850.db2.gz	RBIADDWULIRHPK-QWRGUYRKSA-N	-1	0	308.425	0.509	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cnn(C(C)C)c1	ZINC000835825161	671807387	/nfs/dbraw/zinc/80/73/87/671807387.db2.gz	OIFKLUGHMIYIAC-UHFFFAOYSA-N	-1	0	301.368	0.862	20	30		DCEDRM
C#CCO[C@H](C)C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000837843694	671880849	/nfs/dbraw/zinc/88/08/49/671880849.db2.gz	VKSKIJMGQKIJDA-SNVBAGLBSA-N	-1	0	322.342	0.590	20	30		DCEDRM
C[C@@H](CO)NN=C1C(=O)Nc2cc([O-])c(Br)cc21	ZINC000841629089	671945807	/nfs/dbraw/zinc/94/58/07/671945807.db2.gz	GSVZLUCBSWSYPF-YFKPBYRVSA-N	-1	0	314.139	0.781	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn2c1C[C@H](C)CC2	ZINC000842682088	672028191	/nfs/dbraw/zinc/02/81/91/672028191.db2.gz	ZAIJZRZHJMQATJ-NEPJUHHUSA-N	-1	0	318.377	0.941	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2CCOCC2)c(C)c1	ZINC000842688465	672028552	/nfs/dbraw/zinc/02/85/52/672028552.db2.gz	OHPFHWJFTOGDEK-CYBMUJFWSA-N	-1	0	301.346	0.900	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)c2cnn(C(C)C)c2)nn1	ZINC000842811174	672039813	/nfs/dbraw/zinc/03/98/13/672039813.db2.gz	HBDKNUKHTGISDC-UHFFFAOYSA-N	-1	0	324.366	0.360	20	30		DCEDRM
N#Cc1c(N[C@@H]2CC[C@H](C(=O)[O-])C2)cccc1S(N)(=O)=O	ZINC000843035816	672055249	/nfs/dbraw/zinc/05/52/49/672055249.db2.gz	CDDFPSSKPNSMIX-DTWKUNHWSA-N	-1	0	309.347	0.871	20	30		DCEDRM
C#CCN(C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCC1	ZINC000843259983	672076201	/nfs/dbraw/zinc/07/62/01/672076201.db2.gz	SXBZHDWBGCIANR-NEPJUHHUSA-N	-1	0	306.362	0.760	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F	ZINC000846146822	672297462	/nfs/dbraw/zinc/29/74/62/672297462.db2.gz	LQTWCEXGSHZHTM-VIFPVBQESA-N	-1	0	320.271	0.764	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2	ZINC000846156122	672298293	/nfs/dbraw/zinc/29/82/93/672298293.db2.gz	XZPZSMCDARSVKD-SECBINFHSA-N	-1	0	303.318	0.533	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F	ZINC000846156334	672298341	/nfs/dbraw/zinc/29/83/41/672298341.db2.gz	LBWKMYHVQSBFRJ-CBAPKCEASA-N	-1	0	320.271	0.762	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CNS(=O)(=O)c1cccc(F)c1	ZINC000846540625	672326458	/nfs/dbraw/zinc/32/64/58/672326458.db2.gz	DJOMHMODOGVSMZ-UHFFFAOYSA-N	-1	0	302.327	0.728	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)c3cccn32)CC1	ZINC000793196799	685343679	/nfs/dbraw/zinc/34/36/79/685343679.db2.gz	ZLXIPRKIRMQDAT-NSHDSACASA-N	-1	0	321.358	0.755	20	30		DCEDRM
COc1cc(C)cnc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793196287	685343996	/nfs/dbraw/zinc/34/39/96/685343996.db2.gz	GRRLUPOODFEKEQ-UHFFFAOYSA-N	-1	0	309.347	0.762	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N)C1CC1	ZINC000796865003	685345731	/nfs/dbraw/zinc/34/57/31/685345731.db2.gz	ZHJLOIYMVXJHAY-LBPRGKRZSA-N	-1	0	312.322	0.927	20	30		DCEDRM
N#Cc1ccc(OC[C@@H](O)CN2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000833071256	685359883	/nfs/dbraw/zinc/35/98/83/685359883.db2.gz	HOGLVQRMMYENLD-DZGCQCFKSA-N	-1	0	320.345	0.473	20	30		DCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000176511727	685146289	/nfs/dbraw/zinc/14/62/89/685146289.db2.gz	BIHFYIZEBSEQIE-UHFFFAOYSA-N	-1	0	321.362	0.824	20	30		DCEDRM
C#CCN1CC(N(CC)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC000957132691	686973066	/nfs/dbraw/zinc/97/30/66/686973066.db2.gz	WEKSUNGEASXMAJ-UHFFFAOYSA-N	-1	0	300.318	0.708	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC000964842290	689313065	/nfs/dbraw/zinc/31/30/65/689313065.db2.gz	FUISWURVSROZFQ-GXSJLCMTSA-N	-1	0	319.365	0.694	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)c[nH]1	ZINC001007154139	690633803	/nfs/dbraw/zinc/63/38/03/690633803.db2.gz	DIQLEYYHGGYHRK-JTQLQIEISA-N	-1	0	315.337	0.104	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)c1[O-]	ZINC001012582706	691819861	/nfs/dbraw/zinc/81/98/61/691819861.db2.gz	SRYUAVJSTFYFIE-CABZTGNLSA-N	-1	0	316.361	0.556	20	30		DCEDRM
C=CCN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21	ZINC001074218692	694842595	/nfs/dbraw/zinc/84/25/95/694842595.db2.gz	CWOBFWBXWKLIKV-NWDGAFQWSA-N	-1	0	306.366	0.525	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001745089426	1157753175	/nfs/dbraw/zinc/75/31/75/1157753175.db2.gz	QFPOOHHDJQVVHU-SNVBAGLBSA-N	-1	0	310.354	0.203	20	30		DCEDRM
C[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1CCNCC#N	ZINC001691725247	1158964669	/nfs/dbraw/zinc/96/46/69/1158964669.db2.gz	RGCGHMOCJTYDGO-UWVGGRQHSA-N	-1	0	320.353	0.027	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC001604062138	1159786786	/nfs/dbraw/zinc/78/67/86/1159786786.db2.gz	ZQYLAZPQIXQBQX-WPRPVWTQSA-N	-1	0	307.397	0.015	20	30		DCEDRM
C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001567860835	1160504877	/nfs/dbraw/zinc/50/48/77/1160504877.db2.gz	YOSOJSTYUXUPMM-STQMWFEESA-N	-1	0	317.393	0.879	20	30		DCEDRM
C#C[C@](C)(CC)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001569251295	1160993725	/nfs/dbraw/zinc/99/37/25/1160993725.db2.gz	WRCDPYYRRSLLCC-OAHLLOKOSA-N	-1	0	300.318	0.798	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)OCC	ZINC001569492051	1161075878	/nfs/dbraw/zinc/07/58/78/1161075878.db2.gz	JWWGCQBUMHGRMW-LBPRGKRZSA-N	-1	0	323.397	0.524	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)n1	ZINC001569573848	1161154172	/nfs/dbraw/zinc/15/41/72/1161154172.db2.gz	JHDVCYMZGSDQQC-UHFFFAOYSA-N	-1	0	309.289	0.884	20	30		DCEDRM
C=CCCOCC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001569655767	1161182280	/nfs/dbraw/zinc/18/22/80/1161182280.db2.gz	WHDDTZPTFBQSKQ-CQSZACIVSA-N	-1	0	309.370	0.184	20	30		DCEDRM
CC#CCCCC(=O)N1C[C@H]2CCN(C(=O)CNC(=O)[O-])C[C@H]21	ZINC001573384532	1163420576	/nfs/dbraw/zinc/42/05/76/1163420576.db2.gz	MFGDITOZZZRIBJ-CHWSQXEVSA-N	-1	0	321.377	0.507	20	30		DCEDRM
COCCn1cc(C#N)c(NC(=O)COC2CC2)c1C(=O)[O-]	ZINC001573986075	1163618000	/nfs/dbraw/zinc/61/80/00/1163618000.db2.gz	SDKGEJXMLOUBJQ-UHFFFAOYSA-N	-1	0	307.306	0.822	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO	ZINC001574128481	1163644712	/nfs/dbraw/zinc/64/47/12/1163644712.db2.gz	WBTCCDSPHRKUSQ-DGCLKSJQSA-N	-1	0	303.318	0.567	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO	ZINC001574128484	1163644960	/nfs/dbraw/zinc/64/49/60/1163644960.db2.gz	WBTCCDSPHRKUSQ-YPMHNXCESA-N	-1	0	303.318	0.567	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC[C@H]1c1cn[nH]n1	ZINC001577256057	1164651712	/nfs/dbraw/zinc/65/17/12/1164651712.db2.gz	DUAQHFYQNUPKLV-NSHDSACASA-N	-1	0	314.305	0.299	20	30		DCEDRM
CO[C@@]1(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)CCSC1	ZINC001579602889	1165357762	/nfs/dbraw/zinc/35/77/62/1165357762.db2.gz	YHHBXKMSUZPVCW-GFCCVEGCSA-N	-1	0	318.366	0.462	20	30		DCEDRM
CO[C@@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)[C@@H](C)C1	ZINC001579619390	1165362146	/nfs/dbraw/zinc/36/21/46/1165362146.db2.gz	RBILQYBNVSPZHZ-DTWKUNHWSA-N	-1	0	300.326	0.532	20	30		DCEDRM
Cc1cc(Oc2cnc(C#N)c(-c3nnn[n-]3)n2)ccc1C(N)=O	ZINC001581044193	1165780199	/nfs/dbraw/zinc/78/01/99/1165780199.db2.gz	PSXJWPDWZHEKRA-UHFFFAOYSA-N	-1	0	322.288	0.728	20	30		DCEDRM
Cc1cnn([C@H]2CCN(c3cnc(C#N)c(-c4nnn[n-]4)n3)C2)c1	ZINC001581346321	1165816625	/nfs/dbraw/zinc/81/66/25/1165816625.db2.gz	WRPAVCHNUDDXDU-JTQLQIEISA-N	-1	0	322.336	0.485	20	30		DCEDRM
N#Cc1nc(NC(=O)C=C[C@H]2CCCO2)[n-]c1-c1nn[nH]n1	ZINC001581860129	1165892879	/nfs/dbraw/zinc/89/28/79/1165892879.db2.gz	LNNYGUDCOCFVKC-KFOINNEUSA-N	-1	0	300.282	0.135	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)[C@@H](C#N)c1ccccc1	ZINC001581860817	1165895064	/nfs/dbraw/zinc/89/50/64/1165895064.db2.gz	UVKWWPXCZQWELO-NSHDSACASA-N	-1	0	318.300	0.811	20	30		DCEDRM
N#Cc1ncc(N[C@@H](CO)C2CCCCC2)nc1-c1nnn[n-]1	ZINC001581883236	1165901184	/nfs/dbraw/zinc/90/11/84/1165901184.db2.gz	SLKPJZROOUCHTC-NSHDSACASA-N	-1	0	314.353	0.881	20	30		DCEDRM
N#Cc1ncc(N2CC[C@@H]3CSC[C@@H]3C2)nc1-c1nnn[n-]1	ZINC001581881896	1165902218	/nfs/dbraw/zinc/90/22/18/1165902218.db2.gz	DPYKOJBDUQHXJI-BDAKNGLRSA-N	-1	0	314.378	0.718	20	30		DCEDRM
N#Cc1ncc(N2CCCC[C@H]2c2cc[nH]n2)nc1-c1nnn[n-]1	ZINC001581882181	1165902436	/nfs/dbraw/zinc/90/24/36/1165902436.db2.gz	OIZFOADZYFNXCO-NSHDSACASA-N	-1	0	322.336	0.983	20	30		DCEDRM
C=CCOCC(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001583148666	1166213501	/nfs/dbraw/zinc/21/35/01/1166213501.db2.gz	UDIBTIDKNMOLMX-PLNGDYQASA-N	-1	0	308.338	0.029	20	30		DCEDRM
C#C[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)C1CCOCC1	ZINC001588328771	1166522849	/nfs/dbraw/zinc/52/28/49/1166522849.db2.gz	QBWBDNVSCASPJS-JTQLQIEISA-N	-1	0	310.321	0.369	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)C(C)(C)C	ZINC001588328596	1166522974	/nfs/dbraw/zinc/52/29/74/1166522974.db2.gz	LPFNZZZZYKLBDD-SNVBAGLBSA-N	-1	0	320.378	0.588	20	30		DCEDRM
C#C[C@@H]1CCCC[C@H]1OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588332802	1166528352	/nfs/dbraw/zinc/52/83/52/1166528352.db2.gz	SKLUSBWDIDPTQD-GMTAPVOTSA-N	-1	0	315.337	0.754	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588332930	1166528631	/nfs/dbraw/zinc/52/86/31/1166528631.db2.gz	WJCOHRWBJGAEQT-VHSXEESVSA-N	-1	0	300.326	0.034	20	30		DCEDRM
C=C(C)C[C@H](CO)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001588405455	1166550771	/nfs/dbraw/zinc/55/07/71/1166550771.db2.gz	OEPOXKVPJQSOOP-SECBINFHSA-N	-1	0	318.337	0.333	20	30		DCEDRM
C=CC(C)(C)C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1	ZINC001588469150	1166557686	/nfs/dbraw/zinc/55/76/86/1166557686.db2.gz	WTYQZFXFQBGMHX-UHFFFAOYSA-N	-1	0	316.369	0.161	20	30		DCEDRM
C=CCN(C(C)C)S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001588625065	1166570243	/nfs/dbraw/zinc/57/02/43/1166570243.db2.gz	CKPLWMHUIGACEC-UHFFFAOYSA-N	-1	0	308.367	0.847	20	30		DCEDRM
C=CCN(C)c1nnc(-c2c[nH]nc2-c2nnn[n-]2)n1CC	ZINC001588626636	1166570583	/nfs/dbraw/zinc/57/05/83/1166570583.db2.gz	NSOKJFNLUBPTIX-UHFFFAOYSA-N	-1	0	300.330	0.490	20	30		DCEDRM
C=CCCOCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001588618009	1166571328	/nfs/dbraw/zinc/57/13/28/1166571328.db2.gz	NFHXWHQYIGEFOH-UHFFFAOYSA-N	-1	0	313.339	0.331	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[nH]n1	ZINC001588728186	1166582413	/nfs/dbraw/zinc/58/24/13/1166582413.db2.gz	ODVWITPFGOQZAO-BDAKNGLRSA-N	-1	0	304.314	0.065	20	30		DCEDRM
CC#CCCCCOC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588745685	1166585489	/nfs/dbraw/zinc/58/54/89/1166585489.db2.gz	BCDKBLAMFLFSSX-JTQLQIEISA-N	-1	0	303.326	0.756	20	30		DCEDRM
CC(=CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1cnccn1	ZINC001588768085	1166587233	/nfs/dbraw/zinc/58/72/33/1166587233.db2.gz	KPCPKKKSDPFSIR-DAXSKMNVSA-N	-1	0	322.292	0.293	20	30		DCEDRM
C[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)n1cnc(-c2nnn[n-]2)n1	ZINC001589025711	1166628897	/nfs/dbraw/zinc/62/88/97/1166628897.db2.gz	BOANHFFMCKWNSA-BBBLOLIVSA-N	-1	0	316.325	0.645	20	30		DCEDRM
CC(C)(CC#N)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001589267315	1166641456	/nfs/dbraw/zinc/64/14/56/1166641456.db2.gz	PHLGKALCOCIVFW-UHFFFAOYSA-N	-1	0	310.339	0.678	20	30		DCEDRM
CC(C)n1ccc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)n1	ZINC001589782363	1166686979	/nfs/dbraw/zinc/68/69/79/1166686979.db2.gz	QLBAGYJDIKCUQT-UHFFFAOYSA-N	-1	0	310.325	0.918	20	30		DCEDRM
C[C@@H]1CCC[C@]1(O)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590247967	1166827001	/nfs/dbraw/zinc/82/70/01/1166827001.db2.gz	MQFUZCBEHVUKMX-OQPBUACISA-N	-1	0	300.326	0.491	20	30		DCEDRM
COC(=O)c1cccc(Cn2cc(-c3nnn[n-]3)nn2)c1C#N	ZINC001591302568	1167207603	/nfs/dbraw/zinc/20/76/03/1167207603.db2.gz	PZYPEZKQAGJKCD-UHFFFAOYSA-N	-1	0	310.277	0.165	20	30		DCEDRM
CO[C@H]1CCC[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)C1	ZINC001591357192	1167230421	/nfs/dbraw/zinc/23/04/21/1167230421.db2.gz	VHVKFEMKNMXQMW-YUMQZZPRSA-N	-1	0	316.325	0.605	20	30		DCEDRM
COC[C@H]1CCCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001591393487	1167259918	/nfs/dbraw/zinc/25/99/18/1167259918.db2.gz	XRGBZUJSKKIBGU-JTQLQIEISA-N	-1	0	314.353	0.781	20	30		DCEDRM
COc1ccc(C=O)cc1Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC001591582376	1167332713	/nfs/dbraw/zinc/33/27/13/1167332713.db2.gz	OWKNSSHKJZZQPR-UHFFFAOYSA-N	-1	0	324.304	0.386	20	30		DCEDRM
CSc1[nH]c(=O)c(C(=O)N(C)CCC#N)cc1-c1nnn[n-]1	ZINC001591702756	1167359543	/nfs/dbraw/zinc/35/95/43/1167359543.db2.gz	WDRKYDPAGXIHTC-UHFFFAOYSA-N	-1	0	319.350	0.675	20	30		DCEDRM
Cc1cnccc1C=CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001592299651	1167485299	/nfs/dbraw/zinc/48/52/99/1167485299.db2.gz	AINBKPOVYAUARZ-NSCUHMNNSA-N	-1	0	321.304	0.817	20	30		DCEDRM
Cc1ncc(CCNc2cnc(C#N)c(-c3nnn[n-]3)n2)s1	ZINC001592411175	1167514550	/nfs/dbraw/zinc/51/45/50/1167514550.db2.gz	VSNDFBGYWCDOGM-UHFFFAOYSA-N	-1	0	313.350	0.948	20	30		DCEDRM
Cc1nnc(Sc2cnc(-c3nnn[n-]3)c(C#N)n2)s1	ZINC001592450009	1167528238	/nfs/dbraw/zinc/52/82/38/1167528238.db2.gz	AFJBTVWQSXSOQS-UHFFFAOYSA-N	-1	0	303.336	0.840	20	30		DCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001592675630	1167597460	/nfs/dbraw/zinc/59/74/60/1167597460.db2.gz	ZABROLAIIPPLPL-UHFFFAOYSA-N	-1	0	320.334	0.365	20	30		DCEDRM
N#CCOc1ccc(Cn2cc(-c3nnn[n-]3)ccc2=O)cc1	ZINC001592678618	1167598174	/nfs/dbraw/zinc/59/81/74/1167598174.db2.gz	FRZPCXOESXPTHA-UHFFFAOYSA-N	-1	0	308.301	0.979	20	30		DCEDRM
N#Cc1ncc(NC[C@H]2CC3(CCC3)CO2)nc1-c1nnn[n-]1	ZINC001592710462	1167610214	/nfs/dbraw/zinc/61/02/14/1167610214.db2.gz	PBXQWYKVFWLYQZ-SECBINFHSA-N	-1	0	312.337	0.899	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H](C(=O)[O-])C1	ZINC001598795105	1168036271	/nfs/dbraw/zinc/03/62/71/1168036271.db2.gz	CVAVMSLIXLKZPJ-GZMMTYOYSA-N	-1	0	305.290	0.365	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2ccc(C#N)cn2)[C@@H](C(=O)[O-])C1	ZINC001598798925	1168043530	/nfs/dbraw/zinc/04/35/30/1168043530.db2.gz	RUFIKZJBOBEGCC-CMPLNLGQSA-N	-1	0	317.301	0.432	20	30		DCEDRM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@](O)(CC#N)C2)n1	ZINC001600105589	1168120746	/nfs/dbraw/zinc/12/07/46/1168120746.db2.gz	URFPBRAHSTYBMB-ZDUSSCGKSA-N	-1	0	306.278	0.851	20	30		DCEDRM
Cc1ccc(CS(=O)(=O)N(CC#N)CC(=O)[O-])c(F)c1	ZINC001600421668	1168181583	/nfs/dbraw/zinc/18/15/83/1168181583.db2.gz	FULBYSACWSDBSN-UHFFFAOYSA-N	-1	0	300.311	0.874	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001600510844	1168193424	/nfs/dbraw/zinc/19/34/24/1168193424.db2.gz	OULQZZIBBXIFAJ-JQWIXIFHSA-N	-1	0	324.358	0.729	20	30		DCEDRM
Cc1cn(C2CCOCC2)nc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001600612338	1168212894	/nfs/dbraw/zinc/21/28/94/1168212894.db2.gz	WKYNTIDZWMXFIT-UHFFFAOYSA-N	-1	0	320.349	0.984	20	30		DCEDRM
Cc1cnc2c(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)cnn2c1	ZINC001600625206	1168218285	/nfs/dbraw/zinc/21/82/85/1168218285.db2.gz	PLSOHESQEUFAAN-UHFFFAOYSA-N	-1	0	313.317	0.868	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)n1	ZINC001600927513	1168511674	/nfs/dbraw/zinc/51/16/74/1168511674.db2.gz	OUGLEEQIMFBIBU-WPRPVWTQSA-N	-1	0	307.310	0.151	20	30		DCEDRM
Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N(CCC#N)CC1CC1	ZINC001601021301	1168567376	/nfs/dbraw/zinc/56/73/76/1168567376.db2.gz	FDOOYPBXYNXQBL-UHFFFAOYSA-N	-1	0	319.321	0.209	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)/C=C/CN2CCOCC2)CC1	ZINC001601049409	1168577464	/nfs/dbraw/zinc/57/74/64/1168577464.db2.gz	QXRCPBOBVTVJPA-OWOJBTEDSA-N	-1	0	307.350	0.092	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)CNC(=O)CC2CCCC2)CC1	ZINC001601051300	1168577576	/nfs/dbraw/zinc/57/75/76/1168577576.db2.gz	JWQSDTZGOYTQNU-UHFFFAOYSA-N	-1	0	321.377	0.900	20	30		DCEDRM
N#CC1(CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CCOCC1	ZINC001601053967	1168578246	/nfs/dbraw/zinc/57/82/46/1168578246.db2.gz	YJPWJOASJAHZSU-ZDUSSCGKSA-N	-1	0	310.350	0.381	20	30		DCEDRM
N#C[C@@]1(F)CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C1	ZINC001601056937	1168578467	/nfs/dbraw/zinc/57/84/67/1168578467.db2.gz	FRXCLTFMXMKZMN-LBPRGKRZSA-N	-1	0	313.310	0.474	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)c2cccnc2OCCO)CC1	ZINC001601053034	1168578512	/nfs/dbraw/zinc/57/85/12/1168578512.db2.gz	LDPGLOOGPVCWQL-UHFFFAOYSA-N	-1	0	319.317	0.283	20	30		DCEDRM
N#CC1(CNC(=O)CCCn2ccc(C(=O)[O-])n2)CCOCC1	ZINC001601056191	1168578620	/nfs/dbraw/zinc/57/86/20/1168578620.db2.gz	CXVKQOJDABDWTM-UHFFFAOYSA-N	-1	0	320.349	0.798	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC001601060628	1168578991	/nfs/dbraw/zinc/57/89/91/1168578991.db2.gz	KYRFPBLMSQXCHZ-VXGBXAGGSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CCC(=O)N1CCN(c2ncc(C(=O)[O-])cc2Cl)CC1	ZINC001601061013	1168579156	/nfs/dbraw/zinc/57/91/56/1168579156.db2.gz	PPNBFOVPIYUFTQ-UHFFFAOYSA-N	-1	0	308.725	0.995	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cn2)CCN1C1CC1	ZINC001601060842	1168579373	/nfs/dbraw/zinc/57/93/73/1168579373.db2.gz	KKVWVKCZTMIPAR-GFCCVEGCSA-N	-1	0	315.333	0.984	20	30		DCEDRM
N#CCCN(Cc1ccco1)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001601067641	1168580455	/nfs/dbraw/zinc/58/04/55/1168580455.db2.gz	CLLOIOXUTFBICF-UHFFFAOYSA-N	-1	0	324.318	0.805	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21	ZINC001601069456	1168580633	/nfs/dbraw/zinc/58/06/33/1168580633.db2.gz	DFSAXLKZPGSYCK-IJLUTSLNSA-N	-1	0	307.350	0.508	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@H]1Cc2cc(F)ccc2NC1=O	ZINC001601070956	1168580887	/nfs/dbraw/zinc/58/08/87/1168580887.db2.gz	NASANYYACYFPKY-NSHDSACASA-N	-1	0	319.292	0.763	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CNC(=O)Nc1ccccc1	ZINC001601071226	1168580900	/nfs/dbraw/zinc/58/09/00/1168580900.db2.gz	WQAMYFQOPTWMEG-UHFFFAOYSA-N	-1	0	304.306	0.635	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cccc(Cn2ccnn2)c1	ZINC001601072045	1168581070	/nfs/dbraw/zinc/58/10/70/1168581070.db2.gz	NGYUZSBRAWXXQR-UHFFFAOYSA-N	-1	0	313.317	0.767	20	30		DCEDRM
N#CCN(CCC(=O)[O-])CC(=O)NCCc1ccc(F)cc1	ZINC001601072952	1168581632	/nfs/dbraw/zinc/58/16/32/1168581632.db2.gz	URFZIVIOTYUGNI-UHFFFAOYSA-N	-1	0	307.325	0.785	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)CCc1cccc(F)c1	ZINC001601072299	1168581540	/nfs/dbraw/zinc/58/15/40/1168581540.db2.gz	GUUPEIMSXBTJDE-UHFFFAOYSA-N	-1	0	314.338	0.998	20	30		DCEDRM
N#CCSCC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001601075638	1168582202	/nfs/dbraw/zinc/58/22/02/1168582202.db2.gz	ICGKROBJWAGIAD-AWEZNQCLSA-N	-1	0	312.391	0.852	20	30		DCEDRM
N#CCc1ccc(OC[C@H](O)CN2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC001601077350	1168582227	/nfs/dbraw/zinc/58/22/27/1168582227.db2.gz	YZACRHQAUYSGIO-GZBFAFLISA-N	-1	0	320.345	0.012	20	30		DCEDRM
N#CCc1ccc(OC[C@@H](O)CN2C[C@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC001601077352	1168582486	/nfs/dbraw/zinc/58/24/86/1168582486.db2.gz	YZACRHQAUYSGIO-VNHYZAJKSA-N	-1	0	320.345	0.012	20	30		DCEDRM
N#CCNCCN(CCc1ccccc1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001601074838	1168582577	/nfs/dbraw/zinc/58/25/77/1168582577.db2.gz	SKDLAOYRZJDFAI-LSDHHAIUSA-N	-1	0	315.373	0.892	20	30		DCEDRM
N#Cc1cc(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])cs1	ZINC001601087597	1168583430	/nfs/dbraw/zinc/58/34/30/1168583430.db2.gz	YINHZCMOAUMXFW-JTQLQIEISA-N	-1	0	300.361	0.999	20	30		DCEDRM
N#Cc1cc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)ccc1F	ZINC001601088057	1168583738	/nfs/dbraw/zinc/58/37/38/1168583738.db2.gz	VAEDLDWOZPGFLF-LBPRGKRZSA-N	-1	0	320.276	0.930	20	30		DCEDRM
N#Cc1cc(F)cc(C2(C(=O)NC[C@@H](O)CC(=O)[O-])CC2)c1	ZINC001601089139	1168584036	/nfs/dbraw/zinc/58/40/36/1168584036.db2.gz	GTYYYDCNZQBDED-LBPRGKRZSA-N	-1	0	306.293	0.681	20	30		DCEDRM
N#Cc1ccc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)s1	ZINC001601094568	1168584559	/nfs/dbraw/zinc/58/45/59/1168584559.db2.gz	NNOCAZSBBGLDSR-SECBINFHSA-N	-1	0	308.315	0.852	20	30		DCEDRM
N#Cc1ccc(CC(=O)OCc2noc(CCC(=O)[O-])n2)cn1	ZINC001601100321	1168584615	/nfs/dbraw/zinc/58/46/15/1168584615.db2.gz	YCMCUZKSYCEYPL-UHFFFAOYSA-N	-1	0	316.273	0.639	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)cn1	ZINC001601098304	1168584798	/nfs/dbraw/zinc/58/47/98/1168584798.db2.gz	LSNFKFVIXHQZAX-HNNXBMFYSA-N	-1	0	314.301	0.328	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cn1	ZINC001601098549	1168584810	/nfs/dbraw/zinc/58/48/10/1168584810.db2.gz	PIFJSGJTILFKPI-AWEZNQCLSA-N	-1	0	303.318	0.180	20	30		DCEDRM
N#Cc1ccc(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC001601100923	1168585357	/nfs/dbraw/zinc/58/53/57/1168585357.db2.gz	RDWGGEBZEFSZNX-QWHCGFSZSA-N	-1	0	305.290	0.876	20	30		DCEDRM
N#Cc1ccc(F)c(CN2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)c1	ZINC001601103034	1168585435	/nfs/dbraw/zinc/58/54/35/1168585435.db2.gz	ZKOHQKHFZXNTTC-CKYFFXLPSA-N	-1	0	317.276	0.838	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)C(=O)NCCCCC(=O)[O-])c1	ZINC001601102363	1168585478	/nfs/dbraw/zinc/58/54/78/1168585478.db2.gz	AHTSDBQAFNRNIJ-UHFFFAOYSA-N	-1	0	321.308	0.685	20	30		DCEDRM
N#Cc1ccc(CNC(=O)Nc2ccn(CC(=O)[O-])n2)nc1	ZINC001601101394	1168585558	/nfs/dbraw/zinc/58/55/58/1168585558.db2.gz	OAVSSDUFMJQTAD-UHFFFAOYSA-N	-1	0	300.278	0.556	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)Cn2cc(C(=O)[O-])cn2)cc1	ZINC001601110044	1168586133	/nfs/dbraw/zinc/58/61/33/1168586133.db2.gz	YGWMMYOWGOBPFY-UHFFFAOYSA-N	-1	0	314.301	0.648	20	30		DCEDRM
N#Cc1ccc(N(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C2CC2)nc1	ZINC001601106310	1168586540	/nfs/dbraw/zinc/58/65/40/1168586540.db2.gz	QTYWXYCYWDSAJY-STQMWFEESA-N	-1	0	314.345	0.759	20	30		DCEDRM
N#Cc1cccc(-c2cc(C(=O)NC[C@H](O)CC(=O)[O-])on2)c1	ZINC001601116194	1168587572	/nfs/dbraw/zinc/58/75/72/1168587572.db2.gz	NTHCMTDCCNGPBX-LLVKDONJSA-N	-1	0	315.285	0.779	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)NC[C@H](CC(=O)[O-])C2CC2)c1	ZINC001601130883	1168591055	/nfs/dbraw/zinc/59/10/55/1168591055.db2.gz	NIBXNUMHHMNNGV-NSHDSACASA-N	-1	0	309.347	0.732	20	30		DCEDRM
N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c(F)c1	ZINC001601131099	1168591240	/nfs/dbraw/zinc/59/12/40/1168591240.db2.gz	ZRXPZUAKFMQSID-DBIOUOCHSA-N	-1	0	318.308	0.872	20	30		DCEDRM
N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c(F)c1	ZINC001601131107	1168591247	/nfs/dbraw/zinc/59/12/47/1168591247.db2.gz	ZRXPZUAKFMQSID-NAKRPEOUSA-N	-1	0	318.308	0.872	20	30		DCEDRM
N#Cc1cnc(N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)cn1	ZINC001601129967	1168591714	/nfs/dbraw/zinc/59/17/14/1168591714.db2.gz	CFZLTCNECLKKOI-HNNXBMFYSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCN(c2cccnn2)CC1	ZINC001601132962	1168592894	/nfs/dbraw/zinc/59/28/94/1168592894.db2.gz	IAWDGHOBQBEHPS-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCC(N2CCNC2=O)CC1	ZINC001601133244	1168592960	/nfs/dbraw/zinc/59/29/60/1168592960.db2.gz	MHMNYASHUHPDND-UHFFFAOYSA-N	-1	0	315.333	0.645	20	30		DCEDRM
O=C([O-])c1cnc(NC[C@@H]2C[C@@H](NC(=O)C#CC3CC3)C2)nc1	ZINC001601223065	1168666340	/nfs/dbraw/zinc/66/63/40/1168666340.db2.gz	AKMZSEGWQGJQSD-AULYBMBSSA-N	-1	0	314.345	0.895	20	30		DCEDRM
O=C([O-])CC1CCC(N=Nc2nc3[nH][nH]cc-3c(=O)n2)CC1	ZINC001601945649	1168944011	/nfs/dbraw/zinc/94/40/11/1168944011.db2.gz	BEOYGIIJDWMLOI-UHFFFAOYSA-N	-1	0	304.310	0.865	20	30		DCEDRM
O=C([O-])[C@@H]1CN(C(=O)NCC#CCO)C[C@@H]1c1ccccc1	ZINC001602184678	1169020501	/nfs/dbraw/zinc/02/05/01/1169020501.db2.gz	QHNODUCCRZPDST-ZIAGYGMSSA-N	-1	0	302.330	0.492	20	30		DCEDRM
C#C[C@H](C)NC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001602669974	1169155563	/nfs/dbraw/zinc/15/55/63/1169155563.db2.gz	IZLJADZVGBGKFM-WPRPVWTQSA-N	-1	0	321.358	0.873	20	30		DCEDRM
C#CC1(O)CN(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C1	ZINC001602677269	1169156827	/nfs/dbraw/zinc/15/68/27/1169156827.db2.gz	SIBAYUINGGCSSJ-UHFFFAOYSA-N	-1	0	304.302	0.283	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1ccccc1C(=O)[O-])[C@@H]1CCCO1	ZINC001602678417	1169156926	/nfs/dbraw/zinc/15/69/26/1169156926.db2.gz	MWOYWESBWJPAOF-RYUDHWBXSA-N	-1	0	309.343	0.844	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001602682912	1169158058	/nfs/dbraw/zinc/15/80/58/1169158058.db2.gz	GZOQUIBBKUEDRX-WDEREUQCSA-N	-1	0	320.349	0.754	20	30		DCEDRM
C#CC[C@@H](NC(=O)CNc1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC001602687068	1169158064	/nfs/dbraw/zinc/15/80/64/1169158064.db2.gz	GYFGXWQHGYFXOZ-GFCCVEGCSA-N	-1	0	324.358	0.095	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1c(F)cc(OC)cc1F)C(=O)[O-]	ZINC001602698891	1169164765	/nfs/dbraw/zinc/16/47/65/1169164765.db2.gz	ZQWMHEJEQIWPHM-JTQLQIEISA-N	-1	0	319.285	0.728	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc2ncccc2c1)C(=O)[O-]	ZINC001602698555	1169164782	/nfs/dbraw/zinc/16/47/82/1169164782.db2.gz	LDHBNUMZEXYYEA-CYBMUJFWSA-N	-1	0	304.327	0.990	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)[C@H]1C	ZINC001602701716	1169166406	/nfs/dbraw/zinc/16/64/06/1169166406.db2.gz	UNXSIERQLPLHPP-NEPJUHHUSA-N	-1	0	316.361	0.802	20	30		DCEDRM
C#CCN1CCC(NS(=O)(=O)c2ccccc2C(=O)[O-])CC1	ZINC001602720974	1169169770	/nfs/dbraw/zinc/16/97/70/1169169770.db2.gz	OTILTQVOMZEWFG-UHFFFAOYSA-N	-1	0	322.386	0.761	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)Cc2ccc(C(=O)[O-])nc2)C1	ZINC001602720964	1169170254	/nfs/dbraw/zinc/17/02/54/1169170254.db2.gz	NZTSERGLEPNERE-ZDUSSCGKSA-N	-1	0	301.346	0.536	20	30		DCEDRM
C#CCONC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1	ZINC001602730507	1169174615	/nfs/dbraw/zinc/17/46/15/1169174615.db2.gz	MNPOISRBESUVFV-UHFFFAOYSA-N	-1	0	315.285	0.087	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001602745016	1169177940	/nfs/dbraw/zinc/17/79/40/1169177940.db2.gz	XMBHKFBZZNTIBI-JZRPKSSGSA-N	-1	0	320.389	0.882	20	30		DCEDRM
C=C(C)Cn1c(CCOCC)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602767597	1169180556	/nfs/dbraw/zinc/18/05/56/1169180556.db2.gz	ARCFENXVFSCTQE-LBPRGKRZSA-N	-1	0	324.381	0.723	20	30		DCEDRM
C=C(C)COCCn1nnnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001602764692	1169181599	/nfs/dbraw/zinc/18/15/99/1169181599.db2.gz	LPGCBTUNHVXGTM-NWDGAFQWSA-N	-1	0	309.370	0.813	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCNC(=O)c1cccc(OC)c1	ZINC001602784385	1169182596	/nfs/dbraw/zinc/18/25/96/1169182596.db2.gz	RPQRPHHGPCTZAU-UHFFFAOYSA-N	-1	0	320.345	0.962	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1CC(C)C	ZINC001602820242	1169187845	/nfs/dbraw/zinc/18/78/45/1169187845.db2.gz	FPZNZRQCIYLGPC-MNOVXSKESA-N	-1	0	310.354	0.443	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@@](F)(C(=O)[O-])C2)n1CC1CC1	ZINC001602821177	1169188161	/nfs/dbraw/zinc/18/81/61/1169188161.db2.gz	WPQPGEHLIFIZJW-YGRLFVJLSA-N	-1	0	310.329	0.911	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1	ZINC001602836086	1169190556	/nfs/dbraw/zinc/19/05/56/1169190556.db2.gz	DYRGQQVGAZILON-SNVBAGLBSA-N	-1	0	322.365	0.088	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001602843154	1169192209	/nfs/dbraw/zinc/19/22/09/1169192209.db2.gz	WBRJSFJSNLQHMM-SECBINFHSA-N	-1	0	310.281	0.516	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001602842549	1169192787	/nfs/dbraw/zinc/19/27/87/1169192787.db2.gz	KLHWYEWKBXGJLQ-TUAOUCFPSA-N	-1	0	305.396	0.734	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1	ZINC001602855355	1169193027	/nfs/dbraw/zinc/19/30/27/1169193027.db2.gz	NUYTZEDGIYMAKR-DGCLKSJQSA-N	-1	0	324.377	0.095	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1cn(C[C@@H]2CCOC2)nn1)C(=O)[O-]	ZINC001602872209	1169196323	/nfs/dbraw/zinc/19/63/23/1169196323.db2.gz	QYEKJXLBVOFDGE-RYUDHWBXSA-N	-1	0	322.365	0.854	20	30		DCEDRM
C=CCCn1cc([C@@H]2NC(=S)NC(C(=O)[O-])=C2C(C)=O)nn1	ZINC001602884865	1169198718	/nfs/dbraw/zinc/19/87/18/1169198718.db2.gz	STBKRSZZXZISJX-JTQLQIEISA-N	-1	0	321.362	0.301	20	30		DCEDRM
C=CCO[C@@H]1CCN(Cn2nc(C(=O)[O-])cc2C(=O)OC)C1	ZINC001602906730	1169201551	/nfs/dbraw/zinc/20/15/51/1169201551.db2.gz	LLWZVMIKBFOXSL-SNVBAGLBSA-N	-1	0	309.322	0.602	20	30		DCEDRM
C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001602932117	1169210696	/nfs/dbraw/zinc/21/06/96/1169210696.db2.gz	JYJMKYJIXHULQR-NWDGAFQWSA-N	-1	0	322.365	0.853	20	30		DCEDRM
C[C@@H](C#N)C(=O)N(C)CCCNc1ccc(-c2nn[nH]n2)nc1	ZINC001602981464	1169223703	/nfs/dbraw/zinc/22/37/03/1169223703.db2.gz	FHHADXCVNKKZKM-JTQLQIEISA-N	-1	0	314.353	0.682	20	30		DCEDRM
C[C@H](C#N)C(=O)NCCCN(C)c1ccc(-c2nn[nH]n2)cn1	ZINC001602983099	1169224114	/nfs/dbraw/zinc/22/41/14/1169224114.db2.gz	DYVBDLQNVXBJJH-SNVBAGLBSA-N	-1	0	314.353	0.364	20	30		DCEDRM
CC(=NNCC(C)(C)S(C)(=O)=O)c1cncc(C(=O)[O-])c1	ZINC001602990970	1169225610	/nfs/dbraw/zinc/22/56/10/1169225610.db2.gz	SJKZYZJHLUMDTD-UHFFFAOYSA-N	-1	0	313.379	0.917	20	30		DCEDRM
CC(=NN[C@@H]1CCCS(=O)(=O)C1)c1cncc(C(=O)[O-])c1	ZINC001602990741	1169226442	/nfs/dbraw/zinc/22/64/42/1169226442.db2.gz	DXCVHYOKMIWCDY-GFCCVEGCSA-N	-1	0	311.363	0.671	20	30		DCEDRM
C[C@@H](C#N)C(=O)N(C)CCCN(C)c1ncc(C(=O)[O-])cn1	ZINC001603129803	1169250433	/nfs/dbraw/zinc/25/04/33/1169250433.db2.gz	MPKMURIVJWTSFK-JTQLQIEISA-N	-1	0	305.338	0.619	20	30		DCEDRM
C[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)N1CCSCC1	ZINC001603139437	1169253685	/nfs/dbraw/zinc/25/36/85/1169253685.db2.gz	CVHNWVGCNFMIRP-NSHDSACASA-N	-1	0	311.407	0.641	20	30		DCEDRM
C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)n1cnc(C#N)n1	ZINC001603154145	1169260108	/nfs/dbraw/zinc/26/01/08/1169260108.db2.gz	YFLLDNOXDUIUJF-QPUJVOFHSA-N	-1	0	317.280	0.792	20	30		DCEDRM
CC(C)O[C@H]1C[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001603358844	1169302168	/nfs/dbraw/zinc/30/21/68/1169302168.db2.gz	NLFKDFUHIRNAAS-DTORHVGOSA-N	-1	0	300.326	0.896	20	30		DCEDRM
CC(C)(C)OC(=O)NCC[C@@H](O)CN(CC#N)CC(=O)[O-]	ZINC001603458803	1169308768	/nfs/dbraw/zinc/30/87/68/1169308768.db2.gz	BXMLOCTVVPHEMN-SNVBAGLBSA-N	-1	0	301.343	0.172	20	30		DCEDRM
CC(C)(C)OC(=O)c1cc(C(=O)N(CC#N)CC(=O)[O-])[nH]n1	ZINC001603500849	1169314197	/nfs/dbraw/zinc/31/41/97/1169314197.db2.gz	GMSUDAWHZAUPKA-UHFFFAOYSA-N	-1	0	308.294	0.415	20	30		DCEDRM
CC(C)(C)c1nnc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)[nH]1	ZINC001603557134	1169321587	/nfs/dbraw/zinc/32/15/87/1169321587.db2.gz	UJXKSRFDIXOGHI-UHFFFAOYSA-N	-1	0	301.306	0.882	20	30		DCEDRM
CC(C)[C@H](NC(=O)CON=CC(=O)Nc1ccccc1)C(=O)[O-]	ZINC001603973836	1169460803	/nfs/dbraw/zinc/46/08/03/1169460803.db2.gz	IIOMPMZIYTZSMZ-AWEZNQCLSA-N	-1	0	321.333	0.853	20	30		DCEDRM
CC(C)[C@H](NC(=O)COC(=O)c1ccnc(C#N)c1)C(=O)[O-]	ZINC001603973870	1169461293	/nfs/dbraw/zinc/46/12/93/1169461293.db2.gz	KUXHPQXHAJDIFK-LBPRGKRZSA-N	-1	0	305.290	0.335	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC001604059383	1169482309	/nfs/dbraw/zinc/48/23/09/1169482309.db2.gz	FAIXGKDTLKTSQI-WZRBSPASSA-N	-1	0	315.395	0.794	20	30		DCEDRM
C[C@H](CC#N)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001604059264	1169482497	/nfs/dbraw/zinc/48/24/97/1169482497.db2.gz	CRSFLDIDIOINCC-SECBINFHSA-N	-1	0	305.290	0.507	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N([C@H](C)C(=O)[O-])C1CCC1	ZINC001604061319	1169485001	/nfs/dbraw/zinc/48/50/01/1169485001.db2.gz	RYZAAMMFTRZOPN-NXEZZACHSA-N	-1	0	303.384	0.793	20	30		DCEDRM
CC[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H](CC)O1	ZINC001604112129	1169495529	/nfs/dbraw/zinc/49/55/29/1169495529.db2.gz	QPAMMMYWSSNYCV-UWVGGRQHSA-N	-1	0	314.353	0.922	20	30		DCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCO1	ZINC001604484636	1169601526	/nfs/dbraw/zinc/60/15/26/1169601526.db2.gz	MAAOAFNBDLUGPB-CQSZACIVSA-N	-1	0	324.358	0.829	20	30		DCEDRM
C[C@@H]1OC(=O)N[C@H]1C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001604830513	1169699841	/nfs/dbraw/zinc/69/98/41/1169699841.db2.gz	BKWVMZKBXHZTMU-WRWORJQWSA-N	-1	0	304.258	0.797	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12	ZINC001605438801	1169921173	/nfs/dbraw/zinc/92/11/73/1169921173.db2.gz	PCTFFVGROFVLAB-FIQHERPVSA-N	-1	0	315.395	0.556	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCC[C@H](C#N)C1	ZINC001605507166	1169942234	/nfs/dbraw/zinc/94/22/34/1169942234.db2.gz	UVWDTOVYTYKYPR-SECBINFHSA-N	-1	0	313.321	0.652	20	30		DCEDRM
CCOC(=O)CC1(S(=O)(=O)N(CC#N)CCC(=O)[O-])CC1	ZINC001605536171	1169952178	/nfs/dbraw/zinc/95/21/78/1169952178.db2.gz	YMTSHMWVYTTXOY-UHFFFAOYSA-N	-1	0	318.351	0.102	20	30		DCEDRM
CCc1nc(C#N)cc(NCCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1	ZINC001605844485	1170010667	/nfs/dbraw/zinc/01/06/67/1170010667.db2.gz	ISTVPQSZGKLOJZ-WDEREUQCSA-N	-1	0	317.349	0.550	20	30		DCEDRM
CN(C(=O)CN1CCOC[C@H]1CC(=O)[O-])C1(C#N)CCCCC1	ZINC001605961733	1170036917	/nfs/dbraw/zinc/03/69/17/1170036917.db2.gz	BAXUMRFHRWFPFB-CYBMUJFWSA-N	-1	0	323.393	0.847	20	30		DCEDRM
CN(CCc1cccc(C#N)c1)C(=O)NCCOCC(=O)[O-]	ZINC001606139320	1170091407	/nfs/dbraw/zinc/09/14/07/1170091407.db2.gz	BXHVSJRCKCTFMK-UHFFFAOYSA-N	-1	0	305.334	0.843	20	30		DCEDRM
N#C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)C1	ZINC001606344930	1170163037	/nfs/dbraw/zinc/16/30/37/1170163037.db2.gz	CBQZRBPHPTZFLY-VIFPVBQESA-N	-1	0	319.350	0.186	20	30		DCEDRM
N#C[C@H]1CCCN(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)C1	ZINC001606344961	1170163188	/nfs/dbraw/zinc/16/31/88/1170163188.db2.gz	VZLCFNPUKPTTCK-SNVBAGLBSA-N	-1	0	312.337	0.707	20	30		DCEDRM
N#C[C@@H]1CCCN(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)C1	ZINC001606344960	1170163588	/nfs/dbraw/zinc/16/35/88/1170163588.db2.gz	VZLCFNPUKPTTCK-JTQLQIEISA-N	-1	0	312.337	0.707	20	30		DCEDRM
N#Cc1cccc(-c2nn[nH]n2)c1N1CCO[C@@H](C(=O)[O-])C1	ZINC001606380025	1170175619	/nfs/dbraw/zinc/17/56/19/1170175619.db2.gz	PHEUNFNRWMDSPB-SNVBAGLBSA-N	-1	0	300.278	0.028	20	30		DCEDRM
N#Cc1ncc(N2CC[C@H]([C@H]3CCCO3)C2)nc1-c1nnn[n-]1	ZINC001606397609	1170183753	/nfs/dbraw/zinc/18/37/53/1170183753.db2.gz	VLTTXGFHLSDEOG-GXSJLCMTSA-N	-1	0	312.337	0.534	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)C1	ZINC001606706715	1170269961	/nfs/dbraw/zinc/26/99/61/1170269961.db2.gz	RXEDZTUSIZJVCH-AWEZNQCLSA-N	-1	0	324.358	0.731	20	30		DCEDRM
COCC#CC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001606770920	1170282916	/nfs/dbraw/zinc/28/29/16/1170282916.db2.gz	PATZFYGZRIRXCA-SNVBAGLBSA-N	-1	0	322.342	0.318	20	30		DCEDRM
COCCC1N=NC(=S)N1N=Cc1cc(C)c(C(=O)[O-])[nH]1	ZINC001606923531	1170331687	/nfs/dbraw/zinc/33/16/87/1170331687.db2.gz	RIAXDXYCSCIHKW-UHFFFAOYSA-N	-1	0	309.351	0.973	20	30		DCEDRM
COc1cc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])ccc1C#N	ZINC001607075749	1170380535	/nfs/dbraw/zinc/38/05/35/1170380535.db2.gz	HIKKRIHGNHEGAY-LLVKDONJSA-N	-1	0	320.301	0.513	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)NCC1(C(=O)[O-])CC1	ZINC001607202020	1170414008	/nfs/dbraw/zinc/41/40/08/1170414008.db2.gz	WJMYNHBWWCMKGT-UHFFFAOYSA-N	-1	0	317.301	0.486	20	30		DCEDRM
Cc1c(C(=O)N2CCSC[C@H](C(=O)[O-])C2)cnn1CCC#N	ZINC001607507504	1170469966	/nfs/dbraw/zinc/46/99/66/1170469966.db2.gz	RSDBWRWTHBDRCZ-LLVKDONJSA-N	-1	0	322.390	0.995	20	30		DCEDRM
Cc1csc(C(=O)[O-])c1S(=O)(=O)N1CCOC[C@H]1C#N	ZINC001607926430	1170526109	/nfs/dbraw/zinc/52/61/09/1170526109.db2.gz	DXDNDFJOVGJYSP-MRVPVSSYSA-N	-1	0	316.360	0.668	20	30		DCEDRM
Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@](C)(C#N)C1	ZINC001608101831	1170572808	/nfs/dbraw/zinc/57/28/08/1170572808.db2.gz	GARRISPRGYGXCM-GFCCVEGCSA-N	-1	0	313.335	0.026	20	30		DCEDRM
Cn1nc(CC(=O)N(CC#N)CCC(=O)[O-])c2ccccc21	ZINC001608148347	1170595455	/nfs/dbraw/zinc/59/54/55/1170595455.db2.gz	JBYQRAQMPFJENR-UHFFFAOYSA-N	-1	0	300.318	0.943	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCCOCC(F)(F)F)CC1	ZINC001608172459	1170609292	/nfs/dbraw/zinc/60/92/92/1170609292.db2.gz	ZYXNCPKVPJOOSB-UHFFFAOYSA-N	-1	0	323.271	0.965	20	30		DCEDRM
N#C[C@H]1CN(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CCN1C1CC1	ZINC001608178851	1170610895	/nfs/dbraw/zinc/61/08/95/1170610895.db2.gz	CNXLTJJQDSHDAH-YPMHNXCESA-N	-1	0	304.350	0.542	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O	ZINC001608183152	1170611311	/nfs/dbraw/zinc/61/13/11/1170611311.db2.gz	INQFVKLBENTSOU-NEPJUHHUSA-N	-1	0	302.286	0.728	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1c[nH]c(C(=O)N2CCCC2)c1	ZINC001608185370	1170611672	/nfs/dbraw/zinc/61/16/72/1170611672.db2.gz	NZCBPDDTGDYBCY-UHFFFAOYSA-N	-1	0	318.333	0.691	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC001608189680	1170612644	/nfs/dbraw/zinc/61/26/44/1170612644.db2.gz	GONBCAFCLPARMI-NWDGAFQWSA-N	-1	0	310.331	0.273	20	30		DCEDRM
N#Cc1cc(N2CCC[C@H]2C(=O)NCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC001608198257	1170613904	/nfs/dbraw/zinc/61/39/04/1170613904.db2.gz	WRZLEUUXCATIKQ-LBPRGKRZSA-N	-1	0	318.289	0.636	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCC2(O)CCC2)c(C(=O)[O-])c1	ZINC001608212044	1170616423	/nfs/dbraw/zinc/61/64/23/1170616423.db2.gz	RYOFGKXXPVAQCB-UHFFFAOYSA-N	-1	0	324.358	0.840	20	30		DCEDRM
N#Cc1cccc(OCCCCC(=O)N[C@@H](CO)C(=O)[O-])c1	ZINC001608218047	1170617365	/nfs/dbraw/zinc/61/73/65/1170617365.db2.gz	DDXXGTKFGDRQJV-ZDUSSCGKSA-N	-1	0	306.318	0.669	20	30		DCEDRM
O=C([O-])c1nccc(N[C@@H]2C[C@@H](NC(=O)C#CC3CC3)C2)n1	ZINC001608277727	1170640913	/nfs/dbraw/zinc/64/09/13/1170640913.db2.gz	PWMLKSCSQZEDQQ-XYPYZODXSA-N	-1	0	300.318	0.069	20	30		DCEDRM
O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(CC#Cc2ccc(F)cc2)C1	ZINC001608610619	1170719009	/nfs/dbraw/zinc/71/90/09/1170719009.db2.gz	JEWDOMUSLDIPAO-CABCVRRESA-N	-1	0	316.332	0.698	20	30		DCEDRM
O=C([O-])C[C@@H]1COCCN1C(=O)c1cccc(C#CCO)c1	ZINC001608700902	1170740042	/nfs/dbraw/zinc/74/00/42/1170740042.db2.gz	ALHGFFXEAXMWSZ-CQSZACIVSA-N	-1	0	303.314	0.346	20	30		DCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl	ZINC001609018615	1170785418	/nfs/dbraw/zinc/78/54/18/1170785418.db2.gz	BETQQYWSUPPXEH-SSDOTTSWSA-N	-1	0	311.754	0.820	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc2c(ncnc2N(C)C)n1C)C(=O)[O-]	ZINC001609079150	1170801822	/nfs/dbraw/zinc/80/18/22/1170801822.db2.gz	ZQUGPSMCOKHVJS-JTQLQIEISA-N	-1	0	315.333	0.241	20	30		DCEDRM
C#CC[C@H](NC(=O)CN(C(=O)OC(C)(C)C)C1CC1)C(=O)[O-]	ZINC001609078716	1170802852	/nfs/dbraw/zinc/80/28/52/1170802852.db2.gz	FBRAPQAYOGXABE-NSHDSACASA-N	-1	0	310.350	0.979	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC001609105124	1170809234	/nfs/dbraw/zinc/80/92/34/1170809234.db2.gz	KOEVHXRLSBCRKT-VIFPVBQESA-N	-1	0	301.320	0.339	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C	ZINC001609167633	1170837168	/nfs/dbraw/zinc/83/71/68/1170837168.db2.gz	NZXKBROPKNSCGU-UHFFFAOYSA-N	-1	0	322.292	0.537	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001609257417	1170900567	/nfs/dbraw/zinc/90/05/67/1170900567.db2.gz	CBIJTHOVUSSISA-VIFPVBQESA-N	-1	0	300.340	0.129	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1	ZINC001609264187	1170901937	/nfs/dbraw/zinc/90/19/37/1170901937.db2.gz	GFKVMCTTXFFWJD-RRFJBIMHSA-N	-1	0	323.437	0.938	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001609290772	1170914920	/nfs/dbraw/zinc/91/49/20/1170914920.db2.gz	XDXFKFPQTAKIFG-SECBINFHSA-N	-1	0	309.322	0.261	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc3c(c2)OCO3)[n-]c1-c1nn[nH]n1	ZINC001609496375	1170998164	/nfs/dbraw/zinc/99/81/64/1170998164.db2.gz	IEPZRYIMKKXHQC-UHFFFAOYSA-N	-1	0	324.260	0.442	20	30		DCEDRM
CC(C)(C#N)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001609647049	1171060115	/nfs/dbraw/zinc/06/01/15/1171060115.db2.gz	PBIYBJHFOMUJFX-UHFFFAOYSA-N	-1	0	303.318	0.918	20	30		DCEDRM
CC(C)(CCC#N)CNC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001609673852	1171063018	/nfs/dbraw/zinc/06/30/18/1171063018.db2.gz	OQQKCZFZWBZEEZ-UHFFFAOYSA-N	-1	0	308.342	0.605	20	30		DCEDRM
CCCN(CC(=O)[O-])CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC001609977382	1171129803	/nfs/dbraw/zinc/12/98/03/1171129803.db2.gz	OMIZKAQWSNQOFA-CQSZACIVSA-N	-1	0	324.425	0.475	20	30		DCEDRM
COC(=O)[C@@H]1CCN(Cc2ccncc2C#N)[C@@H](C(=O)[O-])C1	ZINC001610168040	1171185219	/nfs/dbraw/zinc/18/52/19/1171185219.db2.gz	GWFLZDSFZDVXJM-ZWNOBZJWSA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2ccc(C#N)nc2)[C@H](C(=O)[O-])C1	ZINC001610172175	1171186001	/nfs/dbraw/zinc/18/60/01/1171186001.db2.gz	SCTVRJIZVDMUGL-SKDRFNHKSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COCC[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)C(=O)[O-]	ZINC001610255072	1171210207	/nfs/dbraw/zinc/21/02/07/1171210207.db2.gz	CKTQQANGEOIWFX-ZDUSSCGKSA-N	-1	0	305.334	0.844	20	30		DCEDRM
COc1cc(S(=O)(=O)NCC2(C#N)CC2)ccc1C(=O)[O-]	ZINC001610308328	1171217838	/nfs/dbraw/zinc/21/78/38/1171217838.db2.gz	XYEWNRUBJWOVJX-UHFFFAOYSA-N	-1	0	310.331	0.975	20	30		DCEDRM
CS(=O)(=O)N1CC[C@H](CNc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001610375785	1171227549	/nfs/dbraw/zinc/22/75/49/1171227549.db2.gz	UVQRTNKCFSLXTO-SECBINFHSA-N	-1	0	324.362	0.345	20	30		DCEDRM
CS(=O)(=O)N[C@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1	ZINC001610375691	1171227637	/nfs/dbraw/zinc/22/76/37/1171227637.db2.gz	SDFRJHFXQJYDJW-NSHDSACASA-N	-1	0	323.374	0.380	20	30		DCEDRM
Cn1c(C=NNC(=S)NC[C@@H]2CCCO2)ccc1C(=O)[O-]	ZINC001610597931	1171262322	/nfs/dbraw/zinc/26/23/22/1171262322.db2.gz	RWUQELQLSJBBOG-JTQLQIEISA-N	-1	0	310.379	0.700	20	30		DCEDRM
N#CC1(CS(=O)(=O)NCC2(CC(=O)[O-])CCOCC2)CC1	ZINC001610620116	1171270321	/nfs/dbraw/zinc/27/03/21/1171270321.db2.gz	XUNAICJHCAKORE-UHFFFAOYSA-N	-1	0	316.379	0.481	20	30		DCEDRM
N#CCSCC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001610622805	1171271804	/nfs/dbraw/zinc/27/18/04/1171271804.db2.gz	BPHCCGZJTGZLPA-UHFFFAOYSA-N	-1	0	309.351	0.397	20	30		DCEDRM
N#Cc1ccc(CN2C(=O)[C@H]3C[C@@H](C(=O)[O-])CCN3C2=O)nc1	ZINC001610628193	1171272408	/nfs/dbraw/zinc/27/24/08/1171272408.db2.gz	QZVFPZZGNRLISF-CMPLNLGQSA-N	-1	0	314.301	0.581	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001610629017	1171272532	/nfs/dbraw/zinc/27/25/32/1171272532.db2.gz	KGSOOVKVACXOMC-WCQYABFASA-N	-1	0	303.318	0.264	20	30		DCEDRM
N#Cc1ccc2ncc(CN3CCC([C@@H](O)C(=O)[O-])CC3)n2c1	ZINC001610631754	1171272986	/nfs/dbraw/zinc/27/29/86/1171272986.db2.gz	WJHBVKUJBICJGJ-OAHLLOKOSA-N	-1	0	314.345	0.863	20	30		DCEDRM
N#Cc1cccc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])c1F	ZINC001610631184	1171273009	/nfs/dbraw/zinc/27/30/09/1171273009.db2.gz	QXOCWODNOHXMBI-GFCCVEGCSA-N	-1	0	305.309	0.863	20	30		DCEDRM
N#Cc1cccn(CC(=O)NC2(C(=O)[O-])CCCCC2)c1=O	ZINC001610633431	1171273826	/nfs/dbraw/zinc/27/38/26/1171273826.db2.gz	LSMBDHGVZUILFQ-UHFFFAOYSA-N	-1	0	303.318	0.624	20	30		DCEDRM
N#Cc1csc(CN(CCN2CCOCC2)CC(=O)[O-])c1	ZINC001610634189	1171274287	/nfs/dbraw/zinc/27/42/87/1171274287.db2.gz	OTUGNOMDCRBJMX-UHFFFAOYSA-N	-1	0	309.391	0.839	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2ccc3c(c2)[nH]ccc3=O)c(C#N)c1=O	ZINC001611797536	1171357720	/nfs/dbraw/zinc/35/77/20/1171357720.db2.gz	HALINKCSXAMSJT-UHFFFAOYSA-N	-1	0	310.269	0.579	20	30		DCEDRM
COC(=O)CSCCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001616422126	1171378836	/nfs/dbraw/zinc/37/88/36/1171378836.db2.gz	WCNCICCUFYJFKF-UHFFFAOYSA-N	-1	0	309.347	0.603	20	30		DCEDRM
COCc1csc(NC(=O)N[C@@H]2CCCN(O)C2=O)n1	ZINC001623148096	1171433388	/nfs/dbraw/zinc/43/33/88/1171433388.db2.gz	SAHCEGCPYALBNE-MRVPVSSYSA-N	-1	0	300.340	0.791	20	30		DCEDRM
N#C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)c1ccc(F)cc1	ZINC001623830485	1171444658	/nfs/dbraw/zinc/44/46/58/1171444658.db2.gz	QRDZDXGBWHGLKS-NSHDSACASA-N	-1	0	319.296	0.990	20	30		DCEDRM
C=CCNC(=O)CNC(=O)c1ncc(Br)cc1[O-]	ZINC001624005897	1171447302	/nfs/dbraw/zinc/44/73/02/1171447302.db2.gz	PZIDNSMMQFIDBE-UHFFFAOYSA-N	-1	0	314.139	0.582	20	30		DCEDRM
C#CC(C)(C)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC001628013432	1171516940	/nfs/dbraw/zinc/51/69/40/1171516940.db2.gz	XNLUXVQQMDACGX-UHFFFAOYSA-N	-1	0	316.329	0.771	20	30		DCEDRM
N#Cc1ccccc1C=CC(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC001635090653	1171693375	/nfs/dbraw/zinc/69/33/75/1171693375.db2.gz	MKWMMJSBGHPAOS-GFUIURDCSA-N	-1	0	310.317	0.685	20	30		DCEDRM
C=CCO[N-]C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O	ZINC001636770370	1171748860	/nfs/dbraw/zinc/74/88/60/1171748860.db2.gz	HUBTUZPIACQPAZ-UHFFFAOYSA-N	-1	0	315.329	0.292	20	30		DCEDRM
C=CCC1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCOCC1	ZINC001641024284	1171902820	/nfs/dbraw/zinc/90/28/20/1171902820.db2.gz	TVVQBBTVTAPKOJ-UHFFFAOYSA-N	-1	0	318.333	0.062	20	30		DCEDRM
Cc1cn2ccc(NC(=O)Cn3cc(C#N)c(=O)[n-]c3=O)cc2n1	ZINC001642164062	1171938179	/nfs/dbraw/zinc/93/81/79/1171938179.db2.gz	RRWGWWRXADUZOD-UHFFFAOYSA-N	-1	0	324.300	0.415	20	30		DCEDRM
C#CCC1(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001646205196	1172285831	/nfs/dbraw/zinc/28/58/31/1172285831.db2.gz	XRIPTBWCMZYOAT-UHFFFAOYSA-N	-1	0	300.318	0.273	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@H]2COC(C)(C)C)c(C#N)c1=O	ZINC001647631816	1173007911	/nfs/dbraw/zinc/00/79/11/1173007911.db2.gz	WCHJPKNZIQAVMP-JTQLQIEISA-N	-1	0	306.366	0.729	20	30		DCEDRM
CC[C@](C)(C#N)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001650032937	1173395197	/nfs/dbraw/zinc/39/51/97/1173395197.db2.gz	IRKPQOGGYGCWDL-HUUCEWRRSA-N	-1	0	309.366	0.314	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCOc2ccccc2F)c(C#N)c1=O	ZINC001650219502	1173520350	/nfs/dbraw/zinc/52/03/50/1173520350.db2.gz	AUBYNBGKPDOPTR-UHFFFAOYSA-N	-1	0	304.281	0.575	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)Nc2ccc(Cl)nc2)c1=O	ZINC001652053133	1173761596	/nfs/dbraw/zinc/76/15/96/1173761596.db2.gz	HRPBPTCGMZGKKD-UHFFFAOYSA-N	-1	0	305.681	0.095	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1c(F)cccc1Br	ZINC001655461956	1173820071	/nfs/dbraw/zinc/82/00/71/1173820071.db2.gz	PRXZMEKBAOPUHO-SSDOTTSWSA-N	-1	0	322.155	0.861	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)Cc1csc(C#N)c1	ZINC001664856302	1174466058	/nfs/dbraw/zinc/46/60/58/1174466058.db2.gz	TVQHYLNTKTWKTL-UHFFFAOYSA-N	-1	0	303.365	0.107	20	30		DCEDRM
C#Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)nc1	ZINC001675030485	1175320146	/nfs/dbraw/zinc/32/01/46/1175320146.db2.gz	KSMLBRVHLROBGX-JTQLQIEISA-N	-1	0	314.349	0.137	20	30		DCEDRM
C#CCOCCC(=O)N(C)C[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001679989819	1175773024	/nfs/dbraw/zinc/77/30/24/1175773024.db2.gz	LPSNADWUGDBUCK-JTQLQIEISA-N	-1	0	322.365	0.040	20	30		DCEDRM
CC#CCCCC(=O)NC[C@H](CO)NC(=O)c1ccccc1O	ZINC001680354895	1175809618	/nfs/dbraw/zinc/80/96/18/1175809618.db2.gz	RBDGZDLFLRMCNB-CYBMUJFWSA-N	-1	0	318.373	0.793	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)C#CC(C)C)c1[O-]	ZINC001688437360	1176493779	/nfs/dbraw/zinc/49/37/79/1176493779.db2.gz	PNUAYGOVERAOQM-LBPRGKRZSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001690445845	1177244097	/nfs/dbraw/zinc/24/40/97/1177244097.db2.gz	FGEWMKKYQHEBGQ-NWDGAFQWSA-N	-1	0	321.381	0.019	20	30		DCEDRM
C=CCCC(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC001692177768	1177437651	/nfs/dbraw/zinc/43/76/51/1177437651.db2.gz	FLOSEPAOGKFBTG-UHFFFAOYSA-N	-1	0	301.350	0.289	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001699816183	1178298424	/nfs/dbraw/zinc/29/84/24/1178298424.db2.gz	QUDXIBFKFXBIAX-OAHLLOKOSA-N	-1	0	305.382	0.640	20	30		DCEDRM
C[C@H]1C[C@@H](NC(=O)CSCC#N)CCN1Cc1n[nH]c(=O)[n-]1	ZINC001700310728	1178576776	/nfs/dbraw/zinc/57/67/76/1178576776.db2.gz	JMDYTGXDGMLMGN-UWVGGRQHSA-N	-1	0	324.410	0.236	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001713092566	1180680397	/nfs/dbraw/zinc/68/03/97/1180680397.db2.gz	AULQZJSLZAJVQQ-GFCCVEGCSA-N	-1	0	317.393	0.785	20	30		DCEDRM
CC[C@H](CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NCC#N	ZINC001714125188	1181255643	/nfs/dbraw/zinc/25/56/43/1181255643.db2.gz	PWMVQMYYLJZRMA-MRVPVSSYSA-N	-1	0	308.304	0.451	20	30		DCEDRM
C#CCCCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001717127793	1182684251	/nfs/dbraw/zinc/68/42/51/1182684251.db2.gz	CUSSJEWMGFJHAB-UHFFFAOYSA-N	-1	0	317.393	0.738	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001717212161	1182734146	/nfs/dbraw/zinc/73/41/46/1182734146.db2.gz	QYVCXPKNQRYYMJ-NEPJUHHUSA-N	-1	0	323.397	0.382	20	30		DCEDRM
COCC#CCN1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H]1C	ZINC001725641265	1184924542	/nfs/dbraw/zinc/92/45/42/1184924542.db2.gz	ZTOPVGDXVNIPCL-STQMWFEESA-N	-1	0	320.393	0.656	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001731717875	1185456502	/nfs/dbraw/zinc/45/65/02/1185456502.db2.gz	YYOPFIHHOKDYCL-IAQYHMDHSA-N	-1	0	323.397	0.260	20	30		DCEDRM
C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001732141977	1185696691	/nfs/dbraw/zinc/69/66/91/1185696691.db2.gz	NKLHNDMOWDNRDN-RYUDHWBXSA-N	-1	0	321.381	0.278	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001733700076	1186403596	/nfs/dbraw/zinc/40/35/96/1186403596.db2.gz	AEQBTCRRWHJYTD-NSHDSACASA-N	-1	0	309.370	0.184	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001735254268	1186838889	/nfs/dbraw/zinc/83/88/89/1186838889.db2.gz	NCRAVJAIIYIGIR-BONVTDFDSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001737010783	1187214960	/nfs/dbraw/zinc/21/49/60/1187214960.db2.gz	DBZYMIBAUVQNDE-LLVKDONJSA-N	-1	0	322.365	0.299	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCCN(CC)C(=O)c1n[nH]c(C)c1[O-]	ZINC001737794844	1187408261	/nfs/dbraw/zinc/40/82/61/1187408261.db2.gz	QPLGPFDRLCYBBR-OAHLLOKOSA-N	-1	0	324.381	0.329	20	30		DCEDRM
C#CCCCC(=O)N(C)CCN(C)C(=O)c1cnc[nH]c1=O	ZINC001738356908	1187518229	/nfs/dbraw/zinc/51/82/29/1187518229.db2.gz	CXGZWJWARDHJBM-UHFFFAOYSA-N	-1	0	304.350	0.516	20	30		DCEDRM
C[C@H](CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NCC#N	ZINC001753020456	1188478426	/nfs/dbraw/zinc/47/84/26/1188478426.db2.gz	ONOHGOPZZJENMZ-MRVPVSSYSA-N	-1	0	308.304	0.451	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1	ZINC001755165017	1189042482	/nfs/dbraw/zinc/04/24/82/1189042482.db2.gz	CWMBXHMUYUMTCQ-VXGBXAGGSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C[C@H](C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)n1cccc1	ZINC001771828863	1190517119	/nfs/dbraw/zinc/51/71/19/1190517119.db2.gz	YLFPZAKNCANZDA-SNVBAGLBSA-N	-1	0	313.317	0.267	20	30		DCEDRM
N#Cc1c(N)nc(=NC2CC2)n(-c2ccccc2C(=O)[O-])c1N	ZINC001210968698	747153283	/nfs/dbraw/zinc/15/32/83/747153283.db2.gz	DDDOUZOMUGUXKA-UHFFFAOYSA-N	-1	0	310.317	0.670	20	30		DCEDRM
COC(=O)c1nc2nc(N[C@@H](CS)C(=O)OC)ccc2[n-]1	ZINC001167623333	747433881	/nfs/dbraw/zinc/43/38/81/747433881.db2.gz	KTNBNUFGVYWLFV-ZETCQYMHSA-N	-1	0	310.335	0.628	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cnc(C)cn1	ZINC001223360531	748429210	/nfs/dbraw/zinc/42/92/10/748429210.db2.gz	MXOOFGDPOFHPHR-GFCCVEGCSA-N	-1	0	302.352	0.761	20	30		DCEDRM
C[C@H]1[C@H](Nc2nc(Cl)ccc2C#N)C(=O)N1S(=O)(=O)[O-]	ZINC001167855357	748436371	/nfs/dbraw/zinc/43/63/71/748436371.db2.gz	HVBODVSQCQNXNT-XNCJUZBTSA-N	-1	0	316.726	0.421	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCN(C)c2ccc(C#N)nn2)c1[O-]	ZINC001105369323	748569545	/nfs/dbraw/zinc/56/95/45/748569545.db2.gz	XNHICXFFEROMOF-UHFFFAOYSA-N	-1	0	315.337	0.294	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](Nc3ccncc3C#N)C2)c1[O-]	ZINC001059189195	748818190	/nfs/dbraw/zinc/81/81/90/748818190.db2.gz	WWHWTLWVGHCLJM-XYPYZODXSA-N	-1	0	312.333	0.485	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncncc1Cl	ZINC001226987467	749082954	/nfs/dbraw/zinc/08/29/54/749082954.db2.gz	XPFKGJHMSZZLSD-MRVPVSSYSA-N	-1	0	308.743	0.968	20	30		DCEDRM
C#C[C@H](Oc1[n-]c(=O)nnc1Br)C(=O)OCC	ZINC001227066694	749132320	/nfs/dbraw/zinc/13/23/20/749132320.db2.gz	NIDNPCVQVOTJPZ-YFKPBYRVSA-N	-1	0	302.084	0.283	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](CCNC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001059478536	749226725	/nfs/dbraw/zinc/22/67/25/749226725.db2.gz	SOACGTWXFUCGNU-GXSJLCMTSA-N	-1	0	319.365	0.552	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](CCNC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001059478539	749226729	/nfs/dbraw/zinc/22/67/29/749226729.db2.gz	SOACGTWXFUCGNU-ONGXEEELSA-N	-1	0	319.365	0.552	20	30		DCEDRM
Cc1cnc(C#N)c(NC(=N)SCCS(=O)(=O)[O-])n1	ZINC001168091073	749387377	/nfs/dbraw/zinc/38/73/77/749387377.db2.gz	QCASOSNJEQSADX-UHFFFAOYSA-N	-1	0	301.353	0.624	20	30		DCEDRM
CCN(CCNc1ccnc(C#N)n1)C(=O)c1n[nH]c(C)c1[O-]	ZINC001106726024	751248852	/nfs/dbraw/zinc/24/88/52/751248852.db2.gz	YUGIGJSZYLWYJJ-UHFFFAOYSA-N	-1	0	315.337	0.082	20	30		DCEDRM
C[C@H]1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CN1CC#N	ZINC001071875415	762195907	/nfs/dbraw/zinc/19/59/07/762195907.db2.gz	BRNLJNCLALEEBJ-WDEREUQCSA-N	-1	0	314.349	0.129	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](NC(=O)C#CC(C)C)[C@@H](C)C2)c1[O-]	ZINC001071909444	762219492	/nfs/dbraw/zinc/21/94/92/762219492.db2.gz	LBOJGPGELKHJEN-JQWIXIFHSA-N	-1	0	318.377	0.660	20	30		DCEDRM
C=CCC1(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCC1	ZINC001113312701	762239595	/nfs/dbraw/zinc/23/95/95/762239595.db2.gz	JYSNPQBFMILMRZ-UHFFFAOYSA-N	-1	0	305.382	0.901	20	30		DCEDRM
N#CCN1C[C@@H]2CN(C(=O)c3ccc4oc(=O)nc-4[n-]3)C[C@@H]2C1	ZINC001049168578	755160715	/nfs/dbraw/zinc/16/07/15/755160715.db2.gz	HVICBKOJFOTNNO-AOOOYVTPSA-N	-1	0	313.317	0.456	20	30		DCEDRM
C#Cc1ccc(C(=O)NCC2(NC(=O)c3cn[nH]n3)CCC2)nc1	ZINC001063836324	755270309	/nfs/dbraw/zinc/27/03/09/755270309.db2.gz	LGTGSISLRIJJSW-UHFFFAOYSA-N	-1	0	324.344	0.264	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)Nc2cnc(C#N)cn2)c1[O-]	ZINC001097805879	755750093	/nfs/dbraw/zinc/75/00/93/755750093.db2.gz	XCLAIEPUBVOLSK-ZETCQYMHSA-N	-1	0	301.310	0.316	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001080472068	756221190	/nfs/dbraw/zinc/22/11/90/756221190.db2.gz	AVZPBBQPMUDBFR-KKOKHZNYSA-N	-1	0	321.381	0.038	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001054101755	756364740	/nfs/dbraw/zinc/36/47/40/756364740.db2.gz	DQPVUINISZPEGI-ABAIWWIYSA-N	-1	0	318.381	0.484	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]2C1	ZINC001055233450	756759447	/nfs/dbraw/zinc/75/94/47/756759447.db2.gz	KTPOWECXUQWYQE-TXEJJXNPSA-N	-1	0	318.377	0.920	20	30		DCEDRM
C=CC(C)(C)C(=O)N(CCO)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001058301981	759858381	/nfs/dbraw/zinc/85/83/81/759858381.db2.gz	ABBFQPCQAVHBIO-UHFFFAOYSA-N	-1	0	324.381	0.187	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CNc2cnc(C#N)cn2)c1[O-]	ZINC001108311833	760373152	/nfs/dbraw/zinc/37/31/52/760373152.db2.gz	RCBZGLHWXDYZMJ-ZETCQYMHSA-N	-1	0	301.310	0.316	20	30		DCEDRM
Cc1cc(=O)n2nc(NC(=O)c3ccsc3C#N)[n-]c2n1	ZINC001129408612	762930829	/nfs/dbraw/zinc/93/08/29/762930829.db2.gz	FGSKJEWDNSLQAJ-UHFFFAOYSA-N	-1	0	300.303	0.912	20	30		DCEDRM
COCC#CCN1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])CC[C@H]1C	ZINC001131961529	764161833	/nfs/dbraw/zinc/16/18/33/764161833.db2.gz	WRABFWARZLKKJL-DGCLKSJQSA-N	-1	0	320.393	0.656	20	30		DCEDRM
COCC#CCN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CC[C@H]1C	ZINC001131961531	764162387	/nfs/dbraw/zinc/16/23/87/764162387.db2.gz	WRABFWARZLKKJL-YPMHNXCESA-N	-1	0	320.393	0.656	20	30		DCEDRM
C=CCOCCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000691869544	765369571	/nfs/dbraw/zinc/36/95/71/765369571.db2.gz	WSLXZVHRTNUOHM-UHFFFAOYSA-N	-1	0	302.352	0.594	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1ncc(N)cn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170746012	765469736	/nfs/dbraw/zinc/46/97/36/765469736.db2.gz	YQEWILBUIVNTCC-AMIZOPFISA-N	-1	0	323.378	0.024	20	30		DCEDRM
CCOC(=O)c1n[nH]cc1/C=C\C(=O)c1cnc([O-])n(C)c1=O	ZINC001116301718	765858410	/nfs/dbraw/zinc/85/84/10/765858410.db2.gz	LCFCMTFTEZOJRY-PLNGDYQASA-N	-1	0	318.289	0.282	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2ccc3c(c2)oc(=O)n3C)c1=O	ZINC001116760750	765907338	/nfs/dbraw/zinc/90/73/38/765907338.db2.gz	NJGLEBQOLIJKIV-UHFFFAOYSA-N	-1	0	317.330	0.563	20	30		DCEDRM
C=CC[C@H](NC(=O)CNC(=O)NCc1ccc(F)cc1)C(=O)[O-]	ZINC001116921712	765927426	/nfs/dbraw/zinc/92/74/26/765927426.db2.gz	GWEGDXBPTAAFFS-LBPRGKRZSA-N	-1	0	323.324	0.770	20	30		DCEDRM
CC(CS(=O)(=O)N(C)C)N=Nc1ccc(CC(=O)[O-])cc1	ZINC001119357294	766644602	/nfs/dbraw/zinc/64/46/02/766644602.db2.gz	SELQHGRUQBJVCY-UHFFFAOYSA-N	-1	0	313.379	0.993	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc3n[nH]c(=S)n3c2)[n-]c1C#N	ZINC001143815035	766716071	/nfs/dbraw/zinc/71/60/71/766716071.db2.gz	LLSKMQZWLBRVGH-UHFFFAOYSA-N	-1	0	310.302	0.737	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)[nH]c(=O)n2C	ZINC001122407252	767794785	/nfs/dbraw/zinc/79/47/85/767794785.db2.gz	DXBDUKHPYAWDRY-JTQLQIEISA-N	-1	0	316.317	0.364	20	30		DCEDRM
C=CC[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)OCC	ZINC001138146989	768399800	/nfs/dbraw/zinc/39/98/00/768399800.db2.gz	DXDXKSCUOZTVJR-SECBINFHSA-N	-1	0	312.326	0.094	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C12CCC2	ZINC001202845778	768428490	/nfs/dbraw/zinc/42/84/90/768428490.db2.gz	FDFPARJPWHQNGV-RYUDHWBXSA-N	-1	0	317.393	0.831	20	30		DCEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1c([O-])c(=O)c(=O)c(=O)c1=O	ZINC001234378021	769642095	/nfs/dbraw/zinc/64/20/95/769642095.db2.gz	HGVDFXLIFKYPNQ-LPEHRKFASA-N	-1	0	306.314	0.468	20	30		DCEDRM
C[C@H](CCCCNCC#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001175614253	769936373	/nfs/dbraw/zinc/93/63/73/769936373.db2.gz	VSESPTJQMUYXRJ-LLVKDONJSA-N	-1	0	316.365	0.424	20	30		DCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc(-c2cccnc2C#N)nc1	ZINC001242311344	770282819	/nfs/dbraw/zinc/28/28/19/770282819.db2.gz	KMWITTLUYDZKFM-UHFFFAOYSA-N	-1	0	302.315	0.840	20	30		DCEDRM
C#CCCOc1ccc(C(=O)N[C@H](COC)c2nnn[n-]2)cc1	ZINC001155067751	770383927	/nfs/dbraw/zinc/38/39/27/770383927.db2.gz	BRWGMRXOJRTWAX-CYBMUJFWSA-N	-1	0	315.333	0.719	20	30		DCEDRM
C[C@H]1[C@H](Nc2[nH]ccc3ncc(C#N)c2-3)C(=O)N1S(=O)(=O)[O-]	ZINC001157073253	771527818	/nfs/dbraw/zinc/52/78/18/771527818.db2.gz	XKURIMZHEYOEAX-WKEGUHRASA-N	-1	0	321.318	0.249	20	30		DCEDRM
N=C(c1nonc1N)N([O-])C(=O)C(=O)c1ccc(Cl)cc1	ZINC001182892148	771573270	/nfs/dbraw/zinc/57/32/70/771573270.db2.gz	NKRMTOLOVWWRDR-UHFFFAOYSA-N	-1	0	309.669	0.731	20	30		DCEDRM
N#C[C@@H]1COCCN1C(=O)COc1ccc(OCC(=O)[O-])cc1	ZINC001183907900	771720609	/nfs/dbraw/zinc/72/06/09/771720609.db2.gz	ZXYXYLGZNGMELR-LLVKDONJSA-N	-1	0	320.301	0.280	20	30		DCEDRM
CCOC(=O)c1nnc(CNC(=O)CCC(=O)C2=CC=C[CH]2)o1	ZINC001184245092	771763433	/nfs/dbraw/zinc/76/34/33/771763433.db2.gz	ZLRBKBKWLDHRCA-UHFFFAOYSA-N	-1	0	318.309	0.912	20	30		DCEDRM
C#C[C@@H](C)[N-]S(=O)(=O)c1nc(C)c(C(=O)OCC)s1	ZINC001184975333	771848214	/nfs/dbraw/zinc/84/82/14/771848214.db2.gz	SATSQECQGALDRA-SSDOTTSWSA-N	-1	0	302.377	0.928	20	30		DCEDRM
CC[C@H](CC#N)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001185623877	771942108	/nfs/dbraw/zinc/94/21/08/771942108.db2.gz	PGYGFXVSXAGHDZ-SNVBAGLBSA-N	-1	0	306.351	0.837	20	30		DCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c1C#N	ZINC001185954937	771975269	/nfs/dbraw/zinc/97/52/69/771975269.db2.gz	QQFLEGIRDZMEDH-UHFFFAOYSA-N	-1	0	302.319	0.969	20	30		DCEDRM
N#Cc1cnn2c1[nH]c(=O)cc2[N-]S(=O)(=O)c1nccs1	ZINC001187853111	772234343	/nfs/dbraw/zinc/23/43/43/772234343.db2.gz	JDLLHAMRSBJMOM-UHFFFAOYSA-N	-1	0	322.331	0.564	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)c1nc[n-]c(=O)c1Br	ZINC001164671791	772690585	/nfs/dbraw/zinc/69/05/85/772690585.db2.gz	HISLELLOAPHTPY-SSDOTTSWSA-N	-1	0	314.139	0.449	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1ncc(CO)cc1Br	ZINC001192943225	772976495	/nfs/dbraw/zinc/97/64/95/772976495.db2.gz	KXYGUARJJUQPRI-UHFFFAOYSA-N	-1	0	306.141	0.602	20	30		DCEDRM
COC(=O)[C@@H]([N-]S(=O)(=O)CC#N)c1ccccc1Cl	ZINC001192993806	772985882	/nfs/dbraw/zinc/98/58/82/772985882.db2.gz	KYOSWIYCPSRFQQ-JTQLQIEISA-N	-1	0	302.739	0.997	20	30		DCEDRM
COc1cc2c(cc1[N-]S(=O)(=O)CC#N)N(C(C)=O)CC2	ZINC001192980163	772992379	/nfs/dbraw/zinc/99/23/79/772992379.db2.gz	DQKIYZXRXFCNRA-UHFFFAOYSA-N	-1	0	309.347	0.869	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1c(C#N)cnc2c(C#N)cnn21	ZINC001193106911	773006553	/nfs/dbraw/zinc/00/65/53/773006553.db2.gz	LAEYMRSYEANFNQ-ZETCQYMHSA-N	-1	0	301.291	0.126	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ncc(Br)nc1CO	ZINC001193111917	773006611	/nfs/dbraw/zinc/00/66/11/773006611.db2.gz	MRPJEWCHWSISTK-RXMQYKEDSA-N	-1	0	321.156	0.385	20	30		DCEDRM
CCc1c(NC(=O)c2ccc([O-])c(C#N)c2)c(C(N)=O)nn1C	ZINC001193505845	773075766	/nfs/dbraw/zinc/07/57/66/773075766.db2.gz	JMIGPSARKISYJW-UHFFFAOYSA-N	-1	0	313.317	0.911	20	30		DCEDRM
CC(C)(C)OC(=O)[C@H](CO)NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193515696	773077145	/nfs/dbraw/zinc/07/71/45/773077145.db2.gz	QJFHDHFOHFIUBV-NSHDSACASA-N	-1	0	306.318	0.696	20	30		DCEDRM
CN(C(=O)c1cccc(C#N)c1[O-])C1CCS(=O)(=O)CC1	ZINC001193646342	773097805	/nfs/dbraw/zinc/09/78/05/773097805.db2.gz	HHNLSXNFRJISQL-UHFFFAOYSA-N	-1	0	308.359	0.913	20	30		DCEDRM
N#Cc1cccc(-c2cc(C(=O)NCS(=O)(=O)[O-])no2)c1	ZINC001196771312	773651718	/nfs/dbraw/zinc/65/17/18/773651718.db2.gz	LSPYIYMTTNSIKP-UHFFFAOYSA-N	-1	0	307.287	0.788	20	30		DCEDRM
C[C@H]1CN(O)C(=O)[C@H]1NC(=S)Nc1ccc(C(=O)[O-])cc1	ZINC001197136466	773692923	/nfs/dbraw/zinc/69/29/23/773692923.db2.gz	FDEUJWIHXYLIEU-XVKPBYJWSA-N	-1	0	309.347	0.907	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC	ZINC001213268443	773825977	/nfs/dbraw/zinc/82/59/77/773825977.db2.gz	KLYOXWCAOQYCNL-NXEZZACHSA-N	-1	0	309.370	0.038	20	30		DCEDRM
C#C[C@@H](C)NC(=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl	ZINC001198009009	773834023	/nfs/dbraw/zinc/83/40/23/773834023.db2.gz	ZQDYFFLZKCWIDD-MRVPVSSYSA-N	-1	0	318.720	0.738	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCN(C)c2ccc(C#N)nn2)c1[O-]	ZINC001095513898	775196445	/nfs/dbraw/zinc/19/64/45/775196445.db2.gz	RUMMDBCRLRGRST-UHFFFAOYSA-N	-1	0	315.337	0.342	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ncccc1C#N	ZINC001222742143	775424161	/nfs/dbraw/zinc/42/41/61/775424161.db2.gz	JYNPSOVTKPREOX-GFCCVEGCSA-N	-1	0	312.347	0.929	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ccc(C#N)nc1	ZINC001222960797	775445064	/nfs/dbraw/zinc/44/50/64/775445064.db2.gz	HQACAHHSWGDINL-CYBMUJFWSA-N	-1	0	312.347	0.929	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(=C)C(=O)OCC	ZINC001224357350	775562418	/nfs/dbraw/zinc/56/24/18/775562418.db2.gz	FMTOVQRBCGQGOR-NSHDSACASA-N	-1	0	308.352	0.581	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1[nH]nc2ncccc21	ZINC001226302730	775796875	/nfs/dbraw/zinc/79/68/75/775796875.db2.gz	NYJQJQZBGGLCLB-SECBINFHSA-N	-1	0	313.335	0.796	20	30		DCEDRM
C#C[C@@H](Oc1ccc(-n2nn[n-]c2=S)cc1)C(=O)OCC	ZINC001228437820	776082986	/nfs/dbraw/zinc/08/29/86/776082986.db2.gz	IZLKIKMNUVFWSP-LLVKDONJSA-N	-1	0	304.331	0.895	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cnncc1Cl	ZINC001228940337	776140199	/nfs/dbraw/zinc/14/01/99/776140199.db2.gz	GKJRPVBTWDOKQU-MRVPVSSYSA-N	-1	0	308.743	0.968	20	30		DCEDRM
C=CC1(NS(=O)(=O)[C@@H]2CCC[C@H]2C(=O)[O-])CCOCC1	ZINC001465118202	804180439	/nfs/dbraw/zinc/18/04/39/804180439.db2.gz	WYAXVQYBRAIFOO-GHMZBOCLSA-N	-1	0	303.380	0.894	20	30		DCEDRM
Cc1csc(=O)n1CCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001600646580	1168228870	/nfs/dbraw/zinc/22/88/70/1168228870.db2.gz	XMLIZMXEQNAGKH-UHFFFAOYSA-N	-1	0	323.374	0.825	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1	ZINC001601060622	1168578993	/nfs/dbraw/zinc/57/89/93/1168578993.db2.gz	KYRFPBLMSQXCHZ-NEPJUHHUSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CCC1(CNS(=O)(=O)c2csnc2C(=O)[O-])CC1	ZINC001601062604	1168579680	/nfs/dbraw/zinc/57/96/80/1168579680.db2.gz	RJEFXDRNJBAAMH-UHFFFAOYSA-N	-1	0	301.349	0.813	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001602681784	1169157256	/nfs/dbraw/zinc/15/72/56/1169157256.db2.gz	WXLCFKDNSWBEAI-CYBMUJFWSA-N	-1	0	309.343	0.549	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)[O-]	ZINC001602845759	1169192821	/nfs/dbraw/zinc/19/28/21/1169192821.db2.gz	WELHVJALWNJHTG-BDAKNGLRSA-N	-1	0	311.256	0.822	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001278368499	945252583	/nfs/dbraw/zinc/25/25/83/945252583.db2.gz	BIUCGIMEUVNUDI-XHDPSFHLSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C=CCN1CC2(CCC1=O)CCN(C(=O)Cc1nnn[n-]1)CC2	ZINC001269576185	940734936	/nfs/dbraw/zinc/73/49/36/940734936.db2.gz	GOKPOJYKUWDOQP-UHFFFAOYSA-N	-1	0	318.381	0.159	20	30		DCEDRM
C=CCN1CC[C@]2(CCCN2C(=O)c2cnc[nH]c2=O)C1=O	ZINC001271630678	941413558	/nfs/dbraw/zinc/41/35/58/941413558.db2.gz	PJUKTHMXVNZAJH-OAHLLOKOSA-N	-1	0	302.334	0.575	20	30		DCEDRM
COc1ccc([C@@H](O)CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001412868716	942115008	/nfs/dbraw/zinc/11/50/08/942115008.db2.gz	IJXCMGUNYGCGMC-LBPRGKRZSA-N	-1	0	316.317	0.099	20	30		DCEDRM
Cc1ccc(C[C@H](CO)Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001412882452	942122282	/nfs/dbraw/zinc/12/22/82/942122282.db2.gz	KVYGXZBDDUHHOG-GFCCVEGCSA-N	-1	0	314.345	0.269	20	30		DCEDRM
CCOC[C@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1	ZINC001413041503	942225928	/nfs/dbraw/zinc/22/59/28/942225928.db2.gz	MAZRUKBYJMQFKL-CYBMUJFWSA-N	-1	0	317.349	0.544	20	30		DCEDRM
C[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001413284950	942602828	/nfs/dbraw/zinc/60/28/28/942602828.db2.gz	JIAKUFHELPRFNE-LURJTMIESA-N	-1	0	304.228	0.278	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C2(C(F)F)CCC2)c(=O)[n-]c1=O	ZINC001413308445	942619797	/nfs/dbraw/zinc/61/97/97/942619797.db2.gz	NCOIRTSAWDSLDB-UHFFFAOYSA-N	-1	0	312.276	0.372	20	30		DCEDRM
N#CC1(c2ccc(C(=O)OCC(=O)NCC(=O)[O-])cc2)CC1	ZINC001601058329	970924218	/nfs/dbraw/zinc/92/42/18/970924218.db2.gz	LHGZCSDTXWHNPV-UHFFFAOYSA-N	-1	0	302.286	0.599	20	30		DCEDRM
C=C(C)CN1CC[C@]2(CCCN2C(=O)c2cc(=O)n(C)[n-]2)C1=O	ZINC001272356756	942712806	/nfs/dbraw/zinc/71/28/06/942712806.db2.gz	ZHFHTFAADCDXIY-MRXNPFEDSA-N	-1	0	318.377	0.909	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)nc1	ZINC001601107764	970934468	/nfs/dbraw/zinc/93/44/68/970934468.db2.gz	IYVWXPNNYLEZSI-PHIMTYICSA-N	-1	0	303.322	0.528	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)[N-]OC1CCOCC1	ZINC001320390237	945855963	/nfs/dbraw/zinc/85/59/63/945855963.db2.gz	KJMKCWNMWVXPHE-UHFFFAOYSA-N	-1	0	307.281	0.863	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1cc(C(F)(F)F)ccc1=O	ZINC001320896242	946058780	/nfs/dbraw/zinc/05/87/80/946058780.db2.gz	ZJXUFEXHBPNMHX-UHFFFAOYSA-N	-1	0	318.251	0.966	20	30		DCEDRM
C=CC[C@@H](NC(=O)NCCc1nnc2n1CCCCC2)C(=O)[O-]	ZINC001321582644	946389382	/nfs/dbraw/zinc/38/93/82/946389382.db2.gz	HYHQZCNHLPCDSD-LLVKDONJSA-N	-1	0	321.381	0.876	20	30		DCEDRM
CO[N-]C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC001255531826	946522510	/nfs/dbraw/zinc/52/25/10/946522510.db2.gz	RRZNSCMIPOWQKU-UHFFFAOYSA-N	-1	0	300.278	0.064	20	30		DCEDRM
COC[C@H](C)[N@H+](CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001255566722	946526175	/nfs/dbraw/zinc/52/61/75/946526175.db2.gz	NJCQLBNIEDQXGT-DTWKUNHWSA-N	-1	0	302.333	0.037	20	30		DCEDRM
C[C@@H](Oc1ccc(C=Nn2c(=O)cn[nH]c2=S)cc1)C(=O)[O-]	ZINC001322038555	946557199	/nfs/dbraw/zinc/55/71/99/946557199.db2.gz	BCRYLBQVLRLXPJ-MRVPVSSYSA-N	-1	0	320.330	0.661	20	30		DCEDRM
C#CCCN(CCOC)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC001602675652	971252184	/nfs/dbraw/zinc/25/21/84/971252184.db2.gz	HBFPMLRJFYJULE-UHFFFAOYSA-N	-1	0	324.377	0.198	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)N1CSCCSC1	ZINC001602678679	971255935	/nfs/dbraw/zinc/25/59/35/971255935.db2.gz	DHGHXVUXXJFDAR-SNVBAGLBSA-N	-1	0	302.421	0.618	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O	ZINC001602682225	971266660	/nfs/dbraw/zinc/26/66/60/971266660.db2.gz	JTLIYNANIPTATA-OLZOCXBDSA-N	-1	0	301.298	0.837	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](c1nccn1C)C(F)(F)F	ZINC001602684327	971280147	/nfs/dbraw/zinc/28/01/47/971280147.db2.gz	WBXZOVOJQKVZFQ-SECBINFHSA-N	-1	0	318.255	0.753	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1cccc(OC)c1OC	ZINC001602685813	971283333	/nfs/dbraw/zinc/28/33/33/971283333.db2.gz	FYSKMUSPNKMVIC-UHFFFAOYSA-N	-1	0	320.345	0.976	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1nn(CCCOC)cc1C	ZINC001602688268	971289402	/nfs/dbraw/zinc/28/94/02/971289402.db2.gz	HCFYLMZXEYKJRS-UHFFFAOYSA-N	-1	0	308.338	0.780	20	30		DCEDRM
C#Cc1cccc(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)c1	ZINC001573291129	946914914	/nfs/dbraw/zinc/91/49/14/946914914.db2.gz	WWZGPCOHUHJWHD-JTQLQIEISA-N	-1	0	322.332	0.317	20	30		DCEDRM
Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)CS(C)(=O)=O	ZINC001260591888	947119157	/nfs/dbraw/zinc/11/91/57/947119157.db2.gz	QSQKASSQPFHSMM-UHFFFAOYSA-N	-1	0	313.360	0.482	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1cc(F)c(F)cc1C#N	ZINC001260592083	947121797	/nfs/dbraw/zinc/12/17/97/947121797.db2.gz	BOPGBIVDCNIPFV-UHFFFAOYSA-N	-1	0	310.303	0.580	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCCOCCO)cc1C#N	ZINC001323610613	947144543	/nfs/dbraw/zinc/14/45/43/947144543.db2.gz	OIOAWYRVSUDOLJ-UHFFFAOYSA-N	-1	0	311.363	0.510	20	30		DCEDRM
C#Cc1cccc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c1	ZINC001602707363	971343635	/nfs/dbraw/zinc/34/36/35/971343635.db2.gz	RYECAVKDVYNVEH-ZDUSSCGKSA-N	-1	0	300.314	0.930	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC001602717177	971364126	/nfs/dbraw/zinc/36/41/26/971364126.db2.gz	CAFQPUBZJFTBIT-VXGBXAGGSA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001602717419	971367587	/nfs/dbraw/zinc/36/75/87/971367587.db2.gz	MGMANRLYQCAZQP-HSMVNMDESA-N	-1	0	321.377	0.764	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)/C=C\c1ccncn1	ZINC001324286915	947377870	/nfs/dbraw/zinc/37/78/70/947377870.db2.gz	KIQZRFBVVNRJJS-WAYWQWQTSA-N	-1	0	314.326	0.867	20	30		DCEDRM
N#CCCCCS(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1	ZINC001324493436	947441041	/nfs/dbraw/zinc/44/10/41/947441041.db2.gz	RSRWZECYACFHKO-QWRGUYRKSA-N	-1	0	304.368	0.168	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1ccc(OC)nc1	ZINC001262101136	947561562	/nfs/dbraw/zinc/56/15/62/947561562.db2.gz	OLPZYNQTWRBXJY-UHFFFAOYSA-N	-1	0	300.361	0.262	20	30		DCEDRM
C=CCn1c(N2C[C@H](C(=O)[O-])C[C@H](C)C2)nnc1C1(O)CC1	ZINC001602730011	971405053	/nfs/dbraw/zinc/40/50/53/971405053.db2.gz	PQAOEZBFXUBNPY-WDEREUQCSA-N	-1	0	306.366	0.993	20	30		DCEDRM
CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc(C=NOC)cc1	ZINC001325269355	947732814	/nfs/dbraw/zinc/73/28/14/947732814.db2.gz	MIFRYZXAJCKWLZ-UHFFFAOYSA-N	-1	0	313.379	0.983	20	30		DCEDRM
CCOCCC1(CNc2[n-]c(=O)n(C)c(=O)c2C#N)CCC1	ZINC001262687072	947748918	/nfs/dbraw/zinc/74/89/18/947748918.db2.gz	BZUZSDGJIQYSDA-UHFFFAOYSA-N	-1	0	306.366	0.954	20	30		DCEDRM
C#CCN(C)c1nnc(CCc2nn[nH]n2)n1CCCOCC	ZINC001263356069	947833726	/nfs/dbraw/zinc/83/37/26/947833726.db2.gz	UXPWRMLMBWHMOK-UHFFFAOYSA-N	-1	0	318.385	0.072	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1	ZINC001325743858	947907763	/nfs/dbraw/zinc/90/77/63/947907763.db2.gz	QSERMURJGHGDSY-NHYWBVRUSA-N	-1	0	310.350	0.113	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)N2CCOCC2)cc1	ZINC001193139982	948006130	/nfs/dbraw/zinc/00/61/30/948006130.db2.gz	PCKXYBUMOIJFMD-LLVKDONJSA-N	-1	0	323.374	0.813	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)C1	ZINC001326014394	948021063	/nfs/dbraw/zinc/02/10/63/948021063.db2.gz	VVCGHHWZPXBPKE-SNVBAGLBSA-N	-1	0	301.320	0.943	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCC(=O)OC(C)(C)C	ZINC001326216966	948098147	/nfs/dbraw/zinc/09/81/47/948098147.db2.gz	ZZKCEDONPZXWLV-UHFFFAOYSA-N	-1	0	303.380	0.968	20	30		DCEDRM
C=CC[C@@H](NC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC001327574962	948558564	/nfs/dbraw/zinc/55/85/64/948558564.db2.gz	NDOYPHFNYAKEPS-WUHRBBMRSA-N	-1	0	313.398	0.813	20	30		DCEDRM
Cc1[nH]nc(Cl)c1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001570921824	948628362	/nfs/dbraw/zinc/62/83/62/948628362.db2.gz	PNGBUNXSTDDLAU-UHFFFAOYSA-N	-1	0	318.688	0.399	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](NC(=O)NC2CC2)C1	ZINC001602779216	971515412	/nfs/dbraw/zinc/51/54/12/971515412.db2.gz	TYKRJGQOLYBATI-IINYFYTJSA-N	-1	0	308.338	0.053	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCOCCCO)cc1C#N	ZINC001328569431	948967329	/nfs/dbraw/zinc/96/73/29/948967329.db2.gz	YEOGVPRFBFVZDO-UHFFFAOYSA-N	-1	0	311.363	0.510	20	30		DCEDRM
C=CCOCC(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001265189739	949423843	/nfs/dbraw/zinc/42/38/43/949423843.db2.gz	VMKCCNVTKVDBRX-UHFFFAOYSA-N	-1	0	309.370	0.136	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[C@H]2OC)n1	ZINC001489076648	949467284	/nfs/dbraw/zinc/46/72/84/949467284.db2.gz	OZGGIYRLUJCCBE-CHWSQXEVSA-N	-1	0	318.377	0.336	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)s1	ZINC000230324331	949679402	/nfs/dbraw/zinc/67/94/02/949679402.db2.gz	NDEQZMSNAUMLJW-QMMMGPOBSA-N	-1	0	302.333	0.094	20	30		DCEDRM
C#CCOCCC(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001265645248	949837275	/nfs/dbraw/zinc/83/72/75/949837275.db2.gz	MFQLNNRMOCHPPC-GFCCVEGCSA-N	-1	0	321.381	0.021	20	30		DCEDRM
Cc1cccc(C[C@@H](CO)Nc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001365220674	950759655	/nfs/dbraw/zinc/75/96/55/950759655.db2.gz	FJHAFOYUIYHIJR-LBPRGKRZSA-N	-1	0	314.345	0.269	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001490591649	950916818	/nfs/dbraw/zinc/91/68/18/950916818.db2.gz	ZWYIUIRJKLFONT-LBPRGKRZSA-N	-1	0	317.393	0.640	20	30		DCEDRM
CN(C[C@H](O)c1cccc(C#N)c1)S(=O)(=O)c1ncc[n-]1	ZINC001365719716	951472706	/nfs/dbraw/zinc/47/27/06/951472706.db2.gz	FSTLXWIVSHEJMZ-LBPRGKRZSA-N	-1	0	306.347	0.635	20	30		DCEDRM
C=CC[C@@H](NC(=O)NC[C@H](C(C)C)N1CCOCC1)C(=O)[O-]	ZINC001332159333	951503415	/nfs/dbraw/zinc/50/34/15/951503415.db2.gz	IQJXOAHVVMXJJQ-CHWSQXEVSA-N	-1	0	313.398	0.672	20	30		DCEDRM
C[C@@H](CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NCC#N	ZINC001281768417	951619754	/nfs/dbraw/zinc/61/97/54/951619754.db2.gz	ONOHGOPZZJENMZ-QMMMGPOBSA-N	-1	0	308.304	0.451	20	30		DCEDRM
NC(=O)c1[nH]nc2c1CN(C(=O)CCC(=O)C1=CC=C[CH]1)CC2	ZINC001274661563	951775112	/nfs/dbraw/zinc/77/51/12/951775112.db2.gz	NEGHOMWRUNNNOB-UHFFFAOYSA-N	-1	0	313.337	0.443	20	30		DCEDRM
C=CC[C@H](NC(=O)c1ccc(=O)n(CCCOC)n1)C(=O)[O-]	ZINC001333521652	952088448	/nfs/dbraw/zinc/08/84/48/952088448.db2.gz	FCELVBUVHDMPPP-NSHDSACASA-N	-1	0	309.322	0.039	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)CCCCS(C)(=O)=O	ZINC001333697554	952136040	/nfs/dbraw/zinc/13/60/40/952136040.db2.gz	IARVJADUTBIHSY-UHFFFAOYSA-N	-1	0	323.436	0.451	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)CCCCS(C)(=O)=O	ZINC001334342763	952291851	/nfs/dbraw/zinc/29/18/51/952291851.db2.gz	PAIUAAYOAWPJOU-UHFFFAOYSA-N	-1	0	323.436	0.307	20	30		DCEDRM
C[C@H](CO[C@@H]1CCOC1)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001575177775	952404080	/nfs/dbraw/zinc/40/40/80/952404080.db2.gz	MRBDPSFWZDSLRD-RKDXNWHRSA-N	-1	0	316.325	0.134	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC([C@H](C)NC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001411996475	952590851	/nfs/dbraw/zinc/59/08/51/952590851.db2.gz	QZXTWCMFUJUWKD-YUMQZZPRSA-N	-1	0	305.338	0.160	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1	ZINC001412262813	952724037	/nfs/dbraw/zinc/72/40/37/952724037.db2.gz	NBFMLLCMZGKFFZ-GXSJLCMTSA-N	-1	0	313.317	0.688	20	30		DCEDRM
C#CCCCC(=O)N(C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001337133601	952816202	/nfs/dbraw/zinc/81/62/02/952816202.db2.gz	GVWUNSVSGJFJSI-SNVBAGLBSA-N	-1	0	306.366	0.804	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001338093642	952962161	/nfs/dbraw/zinc/96/21/61/952962161.db2.gz	WQTJITCPASCQAG-PWSUYJOCSA-N	-1	0	318.377	0.802	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CCn3c(C(N)=O)cnc3C2)c1[O-]	ZINC001276214776	953011793	/nfs/dbraw/zinc/01/17/93/953011793.db2.gz	ADHMYPRYOSPBOI-UHFFFAOYSA-N	-1	0	311.301	0.215	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CCc3nc(C(N)=O)ccc3C2)c1[O-]	ZINC001276215925	953012622	/nfs/dbraw/zinc/01/26/22/953012622.db2.gz	RXXKCVOSXOPCOA-UHFFFAOYSA-N	-1	0	322.324	0.956	20	30		DCEDRM
COC(=O)[C@@]1(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CCSC1	ZINC001412774192	953085090	/nfs/dbraw/zinc/08/50/90/953085090.db2.gz	MYSIHSBGKVEMAO-CQSZACIVSA-N	-1	0	321.358	0.746	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	ZINC001339523369	953100026	/nfs/dbraw/zinc/10/00/26/953100026.db2.gz	HVFYDSSLSYLORX-LBPRGKRZSA-N	-1	0	314.382	0.117	20	30		DCEDRM
Cn1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c(C(F)F)n1	ZINC001412828814	953118220	/nfs/dbraw/zinc/11/82/20/953118220.db2.gz	OKZRMRLCGRVCPG-UHFFFAOYSA-N	-1	0	324.247	0.130	20	30		DCEDRM
C=CCO[C@H]1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC)C1	ZINC001340241777	953156638	/nfs/dbraw/zinc/15/66/38/953156638.db2.gz	GFEQAUKFDGWJQE-JTQLQIEISA-N	-1	0	304.354	0.303	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCSC[C@H]1C	ZINC001340429683	953168457	/nfs/dbraw/zinc/16/84/57/953168457.db2.gz	NBXSNVPSZMKGFP-SECBINFHSA-N	-1	0	306.395	0.630	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](C)[C@@H](OC)C1	ZINC001340562332	953178241	/nfs/dbraw/zinc/17/82/41/953178241.db2.gz	XRTMKHJMJWJJEN-JQWIXIFHSA-N	-1	0	318.381	0.549	20	30		DCEDRM
COCCCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1	ZINC001341954961	953260568	/nfs/dbraw/zinc/26/05/68/953260568.db2.gz	MSDKFGFFDWAEPB-CYBMUJFWSA-N	-1	0	304.350	0.864	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(Cc2ccccn2)nn1	ZINC001343446865	953347265	/nfs/dbraw/zinc/34/72/65/953347265.db2.gz	LKAZPHUNDXTYKD-GFCCVEGCSA-N	-1	0	312.333	0.568	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cccc(C#N)n1)C(=O)[O-]	ZINC001593609767	953458291	/nfs/dbraw/zinc/45/82/91/953458291.db2.gz	SGEOLQGOKGPNJN-KWQFWETISA-N	-1	0	304.306	0.507	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1	ZINC001345767261	953723996	/nfs/dbraw/zinc/72/39/96/953723996.db2.gz	LGIOYFNNHOOWON-MRVPVSSYSA-N	-1	0	318.376	0.807	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1nnn(C(C)(C)C)n1	ZINC001347230075	954052463	/nfs/dbraw/zinc/05/24/63/954052463.db2.gz	DAQHYLFQKVUCEP-VIFPVBQESA-N	-1	0	315.337	0.296	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1COc2ccc(F)cc2C1	ZINC001347362689	954077507	/nfs/dbraw/zinc/07/75/07/954077507.db2.gz	STUVZJPZIDOKTC-LLVKDONJSA-N	-1	0	311.334	0.846	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001284005684	954771479	/nfs/dbraw/zinc/77/14/79/954771479.db2.gz	PBZFLPLVBVXQFH-JTQLQIEISA-N	-1	0	306.366	0.967	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(C(=O)C1(C#N)CCC1)C[C@H]2C(=O)[O-]	ZINC001593819563	955019396	/nfs/dbraw/zinc/01/93/96/955019396.db2.gz	FEMXDFJMPGJHLR-CSJGVYOVSA-N	-1	0	320.345	0.793	20	30		DCEDRM
C=CCCCC(=O)NCCN(CC)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001284642659	955212833	/nfs/dbraw/zinc/21/28/33/955212833.db2.gz	ZHOSCGOWIDMBLT-UHFFFAOYSA-N	-1	0	323.353	0.217	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)NCCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001589019199	955448926	/nfs/dbraw/zinc/44/89/26/955448926.db2.gz	AYWWGCJWXDSEJL-LLVKDONJSA-N	-1	0	317.345	0.396	20	30		DCEDRM
C=CCCCC(=O)N[C@@H](CC)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001285077650	955450339	/nfs/dbraw/zinc/45/03/39/955450339.db2.gz	INAARRKZRWADOG-VIFPVBQESA-N	-1	0	323.353	0.264	20	30		DCEDRM
Cn1ccnc1[C@@H]1C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC001594556325	955764868	/nfs/dbraw/zinc/76/48/68/955764868.db2.gz	ZMDFHCOLUFTLKC-ZIBATOQPSA-N	-1	0	320.349	0.761	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCC(=O)Nc1sccc1C#N	ZINC001593932148	956194687	/nfs/dbraw/zinc/19/46/87/956194687.db2.gz	ZFCBPIIGRZCSMA-LBPRGKRZSA-N	-1	0	312.303	0.591	20	30		DCEDRM
CC(C)[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1cnn(C)c1	ZINC001413922627	956199475	/nfs/dbraw/zinc/19/94/75/956199475.db2.gz	BPFLOQANCPDVJL-NSHDSACASA-N	-1	0	302.338	0.488	20	30		DCEDRM
N#CCc1cccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1	ZINC001594611600	956218454	/nfs/dbraw/zinc/21/84/54/956218454.db2.gz	ZWRUSNJDIKPJFS-BBRMVZONSA-N	-1	0	300.314	0.926	20	30		DCEDRM
N#Cc1cc(F)cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1	ZINC001594616682	956242629	/nfs/dbraw/zinc/24/26/29/956242629.db2.gz	WZRVEKSHYVQTFO-SNVBAGLBSA-N	-1	0	319.292	0.959	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)c1[O-]	ZINC001354086659	956277950	/nfs/dbraw/zinc/27/79/50/956277950.db2.gz	SQRGPRJJXJEGCI-PJXYFTJBSA-N	-1	0	314.345	0.024	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)C2(C(=O)[O-])CCOCC2)nc1	ZINC001594622813	956293636	/nfs/dbraw/zinc/29/36/36/956293636.db2.gz	LPQYJLWYZXDDFB-UHFFFAOYSA-N	-1	0	318.333	0.363	20	30		DCEDRM
N#Cc1ccc(NC(=O)NCC2(C(=O)[O-])CCOCC2)nc1	ZINC001594622989	956295101	/nfs/dbraw/zinc/29/51/01/956295101.db2.gz	SPFIEUOVEODYTQ-UHFFFAOYSA-N	-1	0	304.306	0.956	20	30		DCEDRM
C[C@@](O)(CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC001589147476	956308218	/nfs/dbraw/zinc/30/82/18/956308218.db2.gz	SUTCIVFQOBFVAQ-LLVKDONJSA-N	-1	0	317.223	0.537	20	30		DCEDRM
N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001594632251	956351268	/nfs/dbraw/zinc/35/12/68/956351268.db2.gz	ZFLTXARLBONUCC-CHWSQXEVSA-N	-1	0	314.345	0.713	20	30		DCEDRM
C[C@@H](OC(=O)c1ncccc1C(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001589160644	956409001	/nfs/dbraw/zinc/40/90/01/956409001.db2.gz	DMZHBZQTHTWUTG-SECBINFHSA-N	-1	0	317.301	0.888	20	30		DCEDRM
C[C@H](OC(=O)c1ncccc1C(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001589160645	956409407	/nfs/dbraw/zinc/40/94/07/956409407.db2.gz	DMZHBZQTHTWUTG-VIFPVBQESA-N	-1	0	317.301	0.888	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)NCc2nc(C#N)cs2)C1	ZINC001593962155	956496953	/nfs/dbraw/zinc/49/69/53/956496953.db2.gz	IYYUJTQTSLPDKT-ZDUSSCGKSA-N	-1	0	324.362	0.647	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(c2ccc(C#N)cc2[N+](=O)[O-])CCO1	ZINC001593984936	956758819	/nfs/dbraw/zinc/75/88/19/956758819.db2.gz	MZKYKGCJZBEWRN-CQSZACIVSA-N	-1	0	321.289	0.773	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(Cc2cccc(C#N)c2F)CCO1	ZINC001593985289	956764821	/nfs/dbraw/zinc/76/48/21/956764821.db2.gz	WCFJVPLJRWBMAX-HNNXBMFYSA-N	-1	0	308.309	0.999	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC(C#N)CC2)C1	ZINC001589265734	957077446	/nfs/dbraw/zinc/07/74/46/957077446.db2.gz	JPYDPXQNEPYRHT-PWSUYJOCSA-N	-1	0	307.350	0.318	20	30		DCEDRM
COc1ccc(S(=O)(=O)NCCCC#N)c(CC(=O)[O-])c1	ZINC000054137561	957521345	/nfs/dbraw/zinc/52/13/45/957521345.db2.gz	YQNIICJBSFLVQS-UHFFFAOYSA-N	-1	0	312.347	0.904	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21	ZINC001295361573	957684613	/nfs/dbraw/zinc/68/46/13/957684613.db2.gz	HMSDLXUFOTZVIL-URLYPYJESA-N	-1	0	318.377	0.823	20	30		DCEDRM
C[C@H](CCc1ccco1)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001463726155	1013158860	/nfs/dbraw/zinc/15/88/60/1013158860.db2.gz	YDGNVWDXJPRNKO-SNVBAGLBSA-N	-1	0	316.317	0.551	20	30		DCEDRM
C=C[C@H](O)C(=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1	ZINC001296143294	957909755	/nfs/dbraw/zinc/90/97/55/957909755.db2.gz	VLZPDDPJEUNTRO-VHSXEESVSA-N	-1	0	311.704	0.745	20	30		DCEDRM
C#C[C@@H](NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)C(C)C	ZINC001341255699	957959642	/nfs/dbraw/zinc/95/96/42/957959642.db2.gz	HWJXJFMHOADGQW-VXGBXAGGSA-N	-1	0	309.366	0.409	20	30		DCEDRM
C#C[C@@H](C)NC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001588386514	957979607	/nfs/dbraw/zinc/97/96/07/957979607.db2.gz	BLODGZJMJWOWIU-GHMZBOCLSA-N	-1	0	307.350	0.115	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC001588388781	957999593	/nfs/dbraw/zinc/99/95/93/957999593.db2.gz	GFJGIOLQSBXTMN-XQQFMLRXSA-N	-1	0	324.377	0.100	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001588389367	958007692	/nfs/dbraw/zinc/00/76/92/958007692.db2.gz	SXNIOKWBOAJCQR-CPCZMJQVSA-N	-1	0	324.377	0.291	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588389542	958009420	/nfs/dbraw/zinc/00/94/20/958009420.db2.gz	WLLMADKBHLBCRX-SNVBAGLBSA-N	-1	0	304.302	0.478	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(F)ccc1N(C)C	ZINC001588396157	958048494	/nfs/dbraw/zinc/04/84/94/958048494.db2.gz	VWVDMSRUBOUSSK-UHFFFAOYSA-N	-1	0	321.308	0.377	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(OC)c(C)cc1C	ZINC001588396368	958050496	/nfs/dbraw/zinc/05/04/96/958050496.db2.gz	YHQSRKGUCWZRRO-UHFFFAOYSA-N	-1	0	318.329	0.797	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccn(CCC(C)C)n1	ZINC001588397707	958061602	/nfs/dbraw/zinc/06/16/02/958061602.db2.gz	RIGVWBWZGGPEMN-UHFFFAOYSA-N	-1	0	320.349	0.414	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1COc2ccc(OC)cc2C1	ZINC001588400460	958082261	/nfs/dbraw/zinc/08/22/61/958082261.db2.gz	YFIQECIZKWEFAP-LBPRGKRZSA-N	-1	0	303.314	0.793	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CC[C@H]1CC[C@H](C2OCCO2)O1	ZINC001588402490	958093152	/nfs/dbraw/zinc/09/31/52/958093152.db2.gz	VREVNJSXPXKBOS-VXGBXAGGSA-N	-1	0	311.334	0.234	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CN(C)Cc2ccccc21	ZINC001588408967	958121195	/nfs/dbraw/zinc/12/11/95/958121195.db2.gz	AEICTLLQWUMCRS-AWEZNQCLSA-N	-1	0	301.346	0.903	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1nnc2ccccn21	ZINC001588410358	958139223	/nfs/dbraw/zinc/13/92/23/958139223.db2.gz	UBXPMEJKRQNCRE-JTQLQIEISA-N	-1	0	301.306	0.520	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(CS(C)(=O)=O)cc1	ZINC001588411370	958149521	/nfs/dbraw/zinc/14/95/21/958149521.db2.gz	YDGJBOXVWINPEP-UHFFFAOYSA-N	-1	0	324.358	0.783	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-]	ZINC001588416397	958163487	/nfs/dbraw/zinc/16/34/87/958163487.db2.gz	MKPLHEFRMJFDLN-UHFFFAOYSA-N	-1	0	310.237	0.903	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc2nsnc2c([N+](=O)[O-])c1	ZINC001588416761	958166291	/nfs/dbraw/zinc/16/62/91/958166291.db2.gz	TYWGOWTUZGPZBU-UHFFFAOYSA-N	-1	0	320.286	0.760	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(C(=O)NC2CC2)c1	ZINC001588419186	958192357	/nfs/dbraw/zinc/19/23/57/958192357.db2.gz	WRAXOQPQALQECC-UHFFFAOYSA-N	-1	0	300.314	0.739	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2COCCO2)n1CC1CC1	ZINC001588426828	958233880	/nfs/dbraw/zinc/23/38/80/958233880.db2.gz	DFSJJEMKKWUJPW-LBPRGKRZSA-N	-1	0	320.349	0.300	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2C[C@@H]3C[C@@H](O)[C@@H]3C2)n1C	ZINC001588426859	958235857	/nfs/dbraw/zinc/23/58/57/958235857.db2.gz	DZUJECYMNREPFC-DDHJBXDOSA-N	-1	0	304.350	0.214	20	30		DCEDRM
COc1ccccc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361710288	958241281	/nfs/dbraw/zinc/24/12/81/958241281.db2.gz	MMVMFSZBDGQFTK-UHFFFAOYSA-N	-1	0	314.301	0.858	20	30		DCEDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C#N)C1	ZINC000093932500	958257667	/nfs/dbraw/zinc/25/76/67/958257667.db2.gz	OGCACQLVXJGCGV-QMMMGPOBSA-N	-1	0	300.292	0.199	20	30		DCEDRM
C=C(C)Cn1c(CCO)nnc1N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC001588441396	958336414	/nfs/dbraw/zinc/33/64/14/958336414.db2.gz	BXOUOWZPARAZJB-NWDGAFQWSA-N	-1	0	308.382	0.936	20	30		DCEDRM
Cc1ccc(C(=O)OCc2cn(CC(=O)[O-])nn2)cc1C#N	ZINC001594349695	958338032	/nfs/dbraw/zinc/33/80/32/958338032.db2.gz	KYYPEYKELKFSDR-UHFFFAOYSA-N	-1	0	300.274	0.900	20	30		DCEDRM
C=CCCc1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc1	ZINC001588460708	958477759	/nfs/dbraw/zinc/47/77/59/958477759.db2.gz	UIOWFKIGNKPOSO-AWEZNQCLSA-N	-1	0	313.375	0.919	20	30		DCEDRM
COCCN1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001361933598	958507263	/nfs/dbraw/zinc/50/72/63/958507263.db2.gz	ZKNCSKOTHJVIHD-UHFFFAOYSA-N	-1	0	304.350	0.372	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)C(=O)OC	ZINC001573337628	958524979	/nfs/dbraw/zinc/52/49/79/958524979.db2.gz	SWNYMDJEUFMDQE-VHSXEESVSA-N	-1	0	301.339	0.594	20	30		DCEDRM
C=CCn1c(C[S@@](C)=O)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588473072	958549795	/nfs/dbraw/zinc/54/97/95/958549795.db2.gz	WSQUHPIDIZJMKC-YEJXKQKISA-N	-1	0	312.395	0.644	20	30		DCEDRM
C=CCn1c([C@@H](O)CC)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588474357	958555112	/nfs/dbraw/zinc/55/51/12/958555112.db2.gz	HVAVMASUJWWZKU-JRPNMDOOSA-N	-1	0	322.365	0.445	20	30		DCEDRM
COc1ccc2ncc(C#N)c(OCC(=O)NCC(=O)[O-])c2c1	ZINC001594117938	958571690	/nfs/dbraw/zinc/57/16/90/958571690.db2.gz	YMTODRCSAGMOTK-UHFFFAOYSA-N	-1	0	315.285	0.695	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](N2CCCC2=O)CC1	ZINC001573359629	958585888	/nfs/dbraw/zinc/58/58/88/958585888.db2.gz	FHRFSRFKPJZDAR-WBMJQRKESA-N	-1	0	321.377	0.994	20	30		DCEDRM
Cc1ccccc1CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362080042	958704915	/nfs/dbraw/zinc/70/49/15/958704915.db2.gz	FXQULYFSWBUYTP-UHFFFAOYSA-N	-1	0	312.329	0.488	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1COc2ccccc2[C@H]1O	ZINC001588538314	958941342	/nfs/dbraw/zinc/94/13/42/958941342.db2.gz	GTHPOKFJVIUJOD-PSOPSSQASA-N	-1	0	304.302	0.602	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nc(-c2ccccn2)n[nH]1	ZINC001588541822	958965630	/nfs/dbraw/zinc/96/56/30/958965630.db2.gz	MVSINTABPQLOPV-CQSZACIVSA-N	-1	0	314.305	0.487	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N(C)[C@H](C)CC#N)cc2=O)n1	ZINC001362251907	959007434	/nfs/dbraw/zinc/00/74/34/959007434.db2.gz	FYSOOXABENEEQU-LLVKDONJSA-N	-1	0	314.349	0.947	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC001588558221	959082008	/nfs/dbraw/zinc/08/20/08/959082008.db2.gz	OWAXXUJCCRKVLG-ZHAHWJHGSA-N	-1	0	302.277	0.921	20	30		DCEDRM
C[C@@H](CC(F)(F)F)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362310299	959117514	/nfs/dbraw/zinc/11/75/14/959117514.db2.gz	HHINLUVXBFHJCM-LURJTMIESA-N	-1	0	304.228	0.278	20	30		DCEDRM
CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@]2(C#N)CCCOC2)n1	ZINC001588619790	959537568	/nfs/dbraw/zinc/53/75/68/959537568.db2.gz	BGBBEHRUHWZJHV-AWEZNQCLSA-N	-1	0	306.322	0.962	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)N(CC)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001317474546	960175199	/nfs/dbraw/zinc/17/51/99/960175199.db2.gz	CQESAOVRQIJTKK-LLVKDONJSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)Cc1nocc1C)C(=O)OC	ZINC001309443189	960197818	/nfs/dbraw/zinc/19/78/18/960197818.db2.gz	QUGJQSWHOGBBRC-JTQLQIEISA-N	-1	0	318.351	0.147	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)C1(COC)CCC1)C(=O)OC	ZINC001309442321	960199176	/nfs/dbraw/zinc/19/91/76/960199176.db2.gz	CXPNUXYZNHEFRC-LLVKDONJSA-N	-1	0	321.395	0.219	20	30		DCEDRM
CCN1CCC[C@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1=O	ZINC001362951685	960218363	/nfs/dbraw/zinc/21/83/63/960218363.db2.gz	JEEGATQFPNJFLN-NSHDSACASA-N	-1	0	302.334	0.708	20	30		DCEDRM
C[C@H](CC(=O)OC(C)(C)C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363154432	960495873	/nfs/dbraw/zinc/49/58/73/960495873.db2.gz	WOGIKRMVXTXSOO-MRVPVSSYSA-N	-1	0	308.338	0.477	20	30		DCEDRM
CN(C[C@H](O)c1cccc(C#N)c1)[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001604125053	972531119	/nfs/dbraw/zinc/53/11/19/972531119.db2.gz	YOPNFJLCFUOWRC-KGLIPLIRSA-N	-1	0	317.345	0.209	20	30		DCEDRM
CSCC[C@H](NC(=O)C1(C#N)CCOCC1)c1nnn[n-]1	ZINC001363278697	960767226	/nfs/dbraw/zinc/76/72/26/960767226.db2.gz	FLBUKHIUJFKJCE-VIFPVBQESA-N	-1	0	310.383	0.430	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C2CC3(CC3(F)F)C2)c(=O)[n-]c1=O	ZINC001363289536	960798523	/nfs/dbraw/zinc/79/85/23/960798523.db2.gz	ZDTXOSVZVWTNQO-UHFFFAOYSA-N	-1	0	324.287	0.372	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CN1CC[C@H](c2nn[nH]n2)C1	ZINC001363293414	960811986	/nfs/dbraw/zinc/81/19/86/960811986.db2.gz	WCHXNIWGMWKRET-VIFPVBQESA-N	-1	0	303.351	0.561	20	30		DCEDRM
N#Cc1nccc(NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])n1	ZINC001571073985	960926464	/nfs/dbraw/zinc/92/64/64/960926464.db2.gz	CBTVEDIWJPAQML-LLVKDONJSA-N	-1	0	302.265	0.853	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001571076622	960959304	/nfs/dbraw/zinc/95/93/04/960959304.db2.gz	GJLVWMIVXMUPSF-UHFFFAOYSA-N	-1	0	302.290	0.202	20	30		DCEDRM
CNC(=O)N[C@H]1CCCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001363368114	960997357	/nfs/dbraw/zinc/99/73/57/960997357.db2.gz	XPLRQSYLMFFKQM-NSHDSACASA-N	-1	0	317.349	0.501	20	30		DCEDRM
Cc1cccc([C@@H](NC(=O)[C@@H](C)n2cnc(C#N)n2)C(=O)[O-])c1	ZINC001574387070	961136332	/nfs/dbraw/zinc/13/63/32/961136332.db2.gz	CWAABTPYZLZUNQ-ZWNOBZJWSA-N	-1	0	313.317	0.961	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571123045	961463671	/nfs/dbraw/zinc/46/36/71/961463671.db2.gz	LTEYLHHHIAZZBP-JTQLQIEISA-N	-1	0	314.367	0.156	20	30		DCEDRM
Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c(C#N)cn1	ZINC001571124055	961480494	/nfs/dbraw/zinc/48/04/94/961480494.db2.gz	YFELRVLTYKNKBE-CYDGBPFRSA-N	-1	0	314.345	0.463	20	30		DCEDRM
N#CCc1cccc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1	ZINC001574479443	961651026	/nfs/dbraw/zinc/65/10/26/961651026.db2.gz	ICEAEVYEGZEEPE-NSHDSACASA-N	-1	0	316.317	0.409	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H]2COc3cc(F)cc(F)c32)c(C#N)c1=O	ZINC001363730359	961777550	/nfs/dbraw/zinc/77/75/50/961777550.db2.gz	IQZRXBVOHNXPPD-VIFPVBQESA-N	-1	0	320.255	0.769	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC(C(=O)[O-])C2)cc1	ZINC001571152508	961813810	/nfs/dbraw/zinc/81/38/10/961813810.db2.gz	CRHVXGDLJYHXKA-UHFFFAOYSA-N	-1	0	322.342	0.016	20	30		DCEDRM
C#C[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[C@@H]1CCCO1	ZINC001336084857	961947411	/nfs/dbraw/zinc/94/74/11/961947411.db2.gz	WYWRBSWRBURRNK-DGAVXFQQSA-N	-1	0	306.362	0.919	20	30		DCEDRM
C[C@](Cn1cccn1)(NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001571163842	961957470	/nfs/dbraw/zinc/95/74/70/961957470.db2.gz	SQZRVJPNKZYQKC-GFCCVEGCSA-N	-1	0	324.318	0.170	20	30		DCEDRM
COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1ccc(C#N)cn1	ZINC001363830105	961976522	/nfs/dbraw/zinc/97/65/22/961976522.db2.gz	CALKYYAZSQTZFF-QMMMGPOBSA-N	-1	0	319.289	0.428	20	30		DCEDRM
COc1cccc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001363931421	962145811	/nfs/dbraw/zinc/14/58/11/962145811.db2.gz	GTDWTPYKPKYHMT-UHFFFAOYSA-N	-1	0	315.289	0.253	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cc(Cl)ccn2)c(=O)[n-]c1=O	ZINC001364044885	962358264	/nfs/dbraw/zinc/35/82/64/962358264.db2.gz	BKXYFUCPQQGUCF-UHFFFAOYSA-N	-1	0	305.681	0.508	20	30		DCEDRM
C#CCC1(C(=O)NC[C@@H](C)CNC(=O)CNC(=O)[O-])CCC1	ZINC001573303192	962671379	/nfs/dbraw/zinc/67/13/79/962671379.db2.gz	LGLZYQPZQLHOEZ-NSHDSACASA-N	-1	0	309.366	0.316	20	30		DCEDRM
C#CCCCCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573303760	962681890	/nfs/dbraw/zinc/68/18/90/962681890.db2.gz	RXFUFGNEKFQBOD-VXGBXAGGSA-N	-1	0	306.362	0.666	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H](Nc1ccnc(C(=O)[O-])n1)C(C)C	ZINC001573303977	962683114	/nfs/dbraw/zinc/68/31/14/962683114.db2.gz	VFQQQOWYQHZQCT-GFCCVEGCSA-N	-1	0	318.377	0.953	20	30		DCEDRM
C#CCCCC(=O)NCCCN(C)c1ccnc(C(=O)[O-])n1	ZINC001573304026	962685013	/nfs/dbraw/zinc/68/50/13/962685013.db2.gz	XAUZCXAUYZEXHL-UHFFFAOYSA-N	-1	0	304.350	0.921	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1CCN(C(=O)CNC(=O)[O-])C[C@@H]1C	ZINC001573304030	962685261	/nfs/dbraw/zinc/68/52/61/962685261.db2.gz	XFDSRMMIAWDZJD-QWHCGFSZSA-N	-1	0	323.393	0.658	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)CNC(=O)[O-])[C@H]1C	ZINC001573321124	962754797	/nfs/dbraw/zinc/75/47/97/962754797.db2.gz	INMNXGXHPBPVGN-QWRGUYRKSA-N	-1	0	311.382	0.962	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O	ZINC001573324853	962790278	/nfs/dbraw/zinc/79/02/78/962790278.db2.gz	ZZAZDYUSAPNFIN-MNOVXSKESA-N	-1	0	320.349	0.197	20	30		DCEDRM
COc1cc(CNC(=O)c2cc(C(=O)[O-])nn2C)ccc1C#N	ZINC001574185405	962828109	/nfs/dbraw/zinc/82/81/09/962828109.db2.gz	QZWCHXNNNMAUKU-UHFFFAOYSA-N	-1	0	314.301	0.929	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)CNC(=O)[O-])C2)C1	ZINC001573343899	962909142	/nfs/dbraw/zinc/90/91/42/962909142.db2.gz	KYGDARYWLFADSO-LLVKDONJSA-N	-1	0	309.366	0.718	20	30		DCEDRM
COC(=O)[C@]1(F)CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1	ZINC001364341775	962923078	/nfs/dbraw/zinc/92/30/78/962923078.db2.gz	LMMNBUVWLGKZQB-AWEZNQCLSA-N	-1	0	319.296	0.394	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CNC(=O)[O-])C1	ZINC001573346891	962943599	/nfs/dbraw/zinc/94/35/99/962943599.db2.gz	HKAIVJJUISPCKY-GHMZBOCLSA-N	-1	0	311.382	0.962	20	30		DCEDRM
C=CCOCC(=O)NC[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001573368942	963089840	/nfs/dbraw/zinc/08/98/40/963089840.db2.gz	LSPGLYHDKMESRM-KLPPZKSPSA-N	-1	0	320.349	0.684	20	30		DCEDRM
C#CCCCNC(=O)C(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC001588446747	964079327	/nfs/dbraw/zinc/07/93/27/964079327.db2.gz	YQAOPRPAIDIYBI-UHFFFAOYSA-N	-1	0	314.341	0.799	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588447027	964081436	/nfs/dbraw/zinc/08/14/36/964081436.db2.gz	CKGBSLQVMOSCPV-QWHCGFSZSA-N	-1	0	317.407	0.931	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC000318119005	970411373	/nfs/dbraw/zinc/41/13/73/970411373.db2.gz	QQVOVQVPDZHJPN-UHFFFAOYSA-N	-1	0	322.342	0.688	20	30		DCEDRM
CSCCNC(=S)NN=Cc1cccn1CC(=O)[O-]	ZINC001610381777	970735041	/nfs/dbraw/zinc/73/50/41/970735041.db2.gz	AQNPNFNLRYWLQW-UHFFFAOYSA-N	-1	0	300.409	0.734	20	30		DCEDRM
Cc1c(C#N)c(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)nn1C	ZINC001605074100	972700166	/nfs/dbraw/zinc/70/01/66/972700166.db2.gz	JLSIAIOOLQYQPP-NXEZZACHSA-N	-1	0	306.322	0.809	20	30		DCEDRM
C[C@H]1CCCC[C@@H]1Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001603404654	973055100	/nfs/dbraw/zinc/05/51/00/973055100.db2.gz	BNJYWGSJVIOLLH-WDEREUQCSA-N	-1	0	305.334	0.793	20	30		DCEDRM
N#CCC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001605581823	973862953	/nfs/dbraw/zinc/86/29/53/973862953.db2.gz	NIXYYPSCJLNWKB-DGCLKSJQSA-N	-1	0	301.302	0.443	20	30		DCEDRM
N#CC1(N(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C2CC2)CCC1	ZINC001605583588	973874751	/nfs/dbraw/zinc/87/47/51/973874751.db2.gz	WSHMCIWDBQRCKJ-LBPRGKRZSA-N	-1	0	319.361	0.747	20	30		DCEDRM
N#CCN1CCC(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	ZINC001605585843	973877659	/nfs/dbraw/zinc/87/76/59/973877659.db2.gz	KBSBGLUZACYUSB-UONOGXRCSA-N	-1	0	320.393	0.727	20	30		DCEDRM
CCN(CCC#N)C(=O)CNc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001603736713	974176277	/nfs/dbraw/zinc/17/62/77/974176277.db2.gz	NVDNBKCECZNWOV-UHFFFAOYSA-N	-1	0	307.354	0.877	20	30		DCEDRM
C#CC[C@@H](COC)NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000716811184	977858009	/nfs/dbraw/zinc/85/80/09/977858009.db2.gz	LGCAWHQEFWYKIV-QMMMGPOBSA-N	-1	0	303.361	0.763	20	30		DCEDRM
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NCC#CCO	ZINC000717504296	977902184	/nfs/dbraw/zinc/90/21/84/977902184.db2.gz	DLNFCCLYBNELEU-UHFFFAOYSA-N	-1	0	301.295	0.106	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000717775430	977917517	/nfs/dbraw/zinc/91/75/17/977917517.db2.gz	QZJMNZDDPWYVCS-QMMMGPOBSA-N	-1	0	303.361	0.499	20	30		DCEDRM
C[C@H](CN(C)C(=O)C#CC(C)(C)C)Nc1ccnc(C(=O)[O-])n1	ZINC001592563786	978454738	/nfs/dbraw/zinc/45/47/38/978454738.db2.gz	FWSDIYLZIMVSJY-LLVKDONJSA-N	-1	0	318.377	0.905	20	30		DCEDRM
C#CCCCCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001523014060	1014516075	/nfs/dbraw/zinc/51/60/75/1014516075.db2.gz	JLJIOBOSZRHQJF-GFCCVEGCSA-N	-1	0	318.377	0.948	20	30		DCEDRM
CC[C@H](C(=O)[O-])C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC001594745168	981630251	/nfs/dbraw/zinc/63/02/51/981630251.db2.gz	MAMUIZKXVMIXJC-NSHDSACASA-N	-1	0	319.365	0.360	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC(F)F)cn1	ZINC001523876227	1014790380	/nfs/dbraw/zinc/79/03/80/1014790380.db2.gz	XSQUQVYEVHQKAI-SECBINFHSA-N	-1	0	313.260	0.768	20	30		DCEDRM
CCCC[C@H]1NC(=O)N(CN2CCC(C#N)(C(=O)[O-])CC2)C1=O	ZINC001595665516	982091304	/nfs/dbraw/zinc/09/13/04/982091304.db2.gz	OERUHTDCPOIXDF-LLVKDONJSA-N	-1	0	322.365	0.745	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)[C@@H]1CCCO1	ZINC001588376086	983349508	/nfs/dbraw/zinc/34/95/08/983349508.db2.gz	PPAODTAMIWKMMK-ZJUUUORDSA-N	-1	0	313.331	0.745	20	30		DCEDRM
C#CCC(CC#C)C(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588390415	983393812	/nfs/dbraw/zinc/39/38/12/983393812.db2.gz	UNNSKVMONITGAJ-UHFFFAOYSA-N	-1	0	314.297	0.924	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC001588390484	983394203	/nfs/dbraw/zinc/39/42/03/983394203.db2.gz	VZUUFYUAVIMITI-VIFPVBQESA-N	-1	0	324.358	0.929	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC001588394851	983403929	/nfs/dbraw/zinc/40/39/29/983403929.db2.gz	QDITVHZLHRASFB-SSDOTTSWSA-N	-1	0	319.360	0.117	20	30		DCEDRM
C#CC[C@@H](NC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C)C(=O)[O-]	ZINC001588399828	983417059	/nfs/dbraw/zinc/41/70/59/983417059.db2.gz	XPOXIYFNQBQTEX-VHSXEESVSA-N	-1	0	303.322	0.156	20	30		DCEDRM
C#CC[C@H](NC(=O)CCc1nc(-c2ccoc2)no1)C(=O)[O-]	ZINC001588405709	983422629	/nfs/dbraw/zinc/42/26/29/983422629.db2.gz	SKUHFHPKUAGQDB-JTQLQIEISA-N	-1	0	303.274	0.855	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cccc2c1O[C@H](C)C(=O)N2)C(=O)[O-]	ZINC001588416541	983437207	/nfs/dbraw/zinc/43/72/07/983437207.db2.gz	PAPHVDQGOSYKGJ-LDYMZIIASA-N	-1	0	302.286	0.612	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1nnn(Cc2ccncc2)c1C)C(=O)[O-]	ZINC001588421446	983440911	/nfs/dbraw/zinc/44/09/11/983440911.db2.gz	JFAUXPRGROLNIL-GFCCVEGCSA-N	-1	0	313.317	0.236	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc(OC)c1OC)C(=O)[O-]	ZINC001588428680	983463475	/nfs/dbraw/zinc/46/34/75/983463475.db2.gz	XJFSPZBCLKWCNO-SECBINFHSA-N	-1	0	313.331	0.459	20	30		DCEDRM
C#CCN(C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)C(C)C	ZINC001588458736	983483718	/nfs/dbraw/zinc/48/37/18/983483718.db2.gz	SYKVWURLSOHXQF-XQHKEYJVSA-N	-1	0	306.362	0.472	20	30		DCEDRM
C#CCN(Cc1ccc(/C=C\C(=O)[O-])o1)[C@H]1CCS(=O)(=O)C1	ZINC001588469987	983504538	/nfs/dbraw/zinc/50/45/38/983504538.db2.gz	XUYNKEDRWLGCGA-FJOGCWAESA-N	-1	0	323.370	1.000	20	30		DCEDRM
C#CCN1CCC(NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001588475196	983507836	/nfs/dbraw/zinc/50/78/36/983507836.db2.gz	AEPGVSBELDDJRL-YPMHNXCESA-N	-1	0	314.407	0.257	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1	ZINC001588475980	983510031	/nfs/dbraw/zinc/51/00/31/983510031.db2.gz	KGQDBRUIGJPLRI-BFHYXJOUSA-N	-1	0	308.378	0.470	20	30		DCEDRM
C#CCNC(=O)COC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1	ZINC001588483893	983522461	/nfs/dbraw/zinc/52/24/61/983522461.db2.gz	MHYIXOJRFRHJMI-LRDDRELGSA-N	-1	0	301.298	0.538	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@@H](CC)Nc1ncc(C(=O)[O-])cn1	ZINC001588489941	983530125	/nfs/dbraw/zinc/53/01/25/983530125.db2.gz	DZBVFBHXRSZIPH-ZYHUDNBSSA-N	-1	0	320.349	0.520	20	30		DCEDRM
C#CCn1ccc(CN(CC)Cc2cn(CC(=O)[O-])nn2)n1	ZINC001588509884	983554093	/nfs/dbraw/zinc/55/40/93/983554093.db2.gz	RPRQCGPVEUNKPO-UHFFFAOYSA-N	-1	0	302.338	0.215	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)c2ncncc2C(=O)[O-])n1	ZINC001588510992	983558207	/nfs/dbraw/zinc/55/82/07/983558207.db2.gz	QPXZLRZHGDOLQX-UHFFFAOYSA-N	-1	0	315.333	0.658	20	30		DCEDRM
C#Cc1ccc(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1	ZINC001588517333	983564348	/nfs/dbraw/zinc/56/43/48/983564348.db2.gz	QGAKGKQYWVTHIZ-ZIAGYGMSSA-N	-1	0	302.330	0.645	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N(C)[C@H](COCC)C(=O)[O-])cc1	ZINC001588518091	983567789	/nfs/dbraw/zinc/56/77/89/983567789.db2.gz	PWGFIXAEKYTKGM-CYBMUJFWSA-N	-1	0	311.359	0.778	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)NCC2(C(=O)[O-])CC2)c1	ZINC001588523297	983572093	/nfs/dbraw/zinc/57/20/93/983572093.db2.gz	GAPYJUGSXGSBTE-UHFFFAOYSA-N	-1	0	315.329	0.770	20	30		DCEDRM
C#Cc1cncc(C(=O)N(CCC(=O)[O-])CC(OC)OC)c1	ZINC001588528552	983577032	/nfs/dbraw/zinc/57/70/32/983577032.db2.gz	AQWMZCMBLOJNBI-UHFFFAOYSA-N	-1	0	306.318	0.599	20	30		DCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001588536478	983593899	/nfs/dbraw/zinc/59/38/99/983593899.db2.gz	BRCZTPSEDDIIRF-SSDOTTSWSA-N	-1	0	306.365	0.447	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588576937	983654906	/nfs/dbraw/zinc/65/49/06/983654906.db2.gz	HNOWNDMWBCMPCE-AWEZNQCLSA-N	-1	0	317.407	0.974	20	30		DCEDRM
C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588591325	983672414	/nfs/dbraw/zinc/67/24/14/983672414.db2.gz	HUUZJOISDXPWMG-GHMZBOCLSA-N	-1	0	319.365	0.369	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1CS(C)(=O)=O	ZINC001588615123	983710187	/nfs/dbraw/zinc/71/01/87/983710187.db2.gz	KXGXJJQNTVSHAJ-LLVKDONJSA-N	-1	0	303.380	0.833	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1	ZINC001588619565	983717420	/nfs/dbraw/zinc/71/74/20/983717420.db2.gz	YBNFVHIUPGRAGH-LBPRGKRZSA-N	-1	0	315.391	0.833	20	30		DCEDRM
CCN(CCC#N)C(=O)CN(C)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001596299525	983724688	/nfs/dbraw/zinc/72/46/88/983724688.db2.gz	MOJVJUUGBIUDPM-ZDUSSCGKSA-N	-1	0	311.382	0.703	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1	ZINC001588624614	983733869	/nfs/dbraw/zinc/73/38/69/983733869.db2.gz	PXYFWHCVOLMXHH-LBPRGKRZSA-N	-1	0	322.365	0.819	20	30		DCEDRM
C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588643222	983765554	/nfs/dbraw/zinc/76/55/54/983765554.db2.gz	AQULOOHFKUZIMV-VXGBXAGGSA-N	-1	0	324.377	0.001	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)C1	ZINC001588643813	983767306	/nfs/dbraw/zinc/76/73/06/983767306.db2.gz	UGHBEGRWPDJNSJ-TVQRCGJNSA-N	-1	0	301.364	0.347	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCc2sc(S(N)(=O)=O)cc2C1	ZINC001588669370	983812487	/nfs/dbraw/zinc/81/24/87/983812487.db2.gz	JWEATMKYCICIKN-QMMMGPOBSA-N	-1	0	302.377	0.393	20	30		DCEDRM
C=CC(C)(C)C(=O)N(CCO)CCNc1ccnc(C(=O)[O-])n1	ZINC001588672508	983825283	/nfs/dbraw/zinc/82/52/83/983825283.db2.gz	ULLXDTDRZIIIHY-UHFFFAOYSA-N	-1	0	322.365	0.042	20	30		DCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588735637	984019828	/nfs/dbraw/zinc/01/98/28/984019828.db2.gz	HCXIWBWYGHPQHV-VXGBXAGGSA-N	-1	0	312.366	0.141	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-]	ZINC001588752151	984079537	/nfs/dbraw/zinc/07/95/37/984079537.db2.gz	UTNPFXAXSKGBKO-KOLCDFICSA-N	-1	0	320.363	0.541	20	30		DCEDRM
C=CCCC(=O)N1CCOC2(CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)C1	ZINC001588774401	984151827	/nfs/dbraw/zinc/15/18/27/984151827.db2.gz	XWUSVEKEIUBSOF-RYUDHWBXSA-N	-1	0	322.361	0.113	20	30		DCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588782702	984174246	/nfs/dbraw/zinc/17/42/46/984174246.db2.gz	KRHDKBBVVHMXSR-XHDPSFHLSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)C)C(=O)[O-]	ZINC001588787780	984188704	/nfs/dbraw/zinc/18/87/04/984188704.db2.gz	YDCPWGIUAPNVHK-WDEREUQCSA-N	-1	0	320.411	0.486	20	30		DCEDRM
C=CCCCCn1nnnc1N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588802688	984250882	/nfs/dbraw/zinc/25/08/82/984250882.db2.gz	SNBXKUGPWBZOFD-SWLSCSKDSA-N	-1	0	321.381	0.957	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588803683	984251975	/nfs/dbraw/zinc/25/19/75/984251975.db2.gz	COCNEXWBQNIVMD-JTQLQIEISA-N	-1	0	314.367	0.519	20	30		DCEDRM
C=CCCS(=O)(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001588813097	984269145	/nfs/dbraw/zinc/26/91/45/984269145.db2.gz	IIRTYPKPGXJDPF-VHSXEESVSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=CCCS(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001588813557	984270289	/nfs/dbraw/zinc/27/02/89/984270289.db2.gz	WDAULRRJINNAFC-ZJUUUORDSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=CCCSCCn1nnnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588814684	984271970	/nfs/dbraw/zinc/27/19/70/984271970.db2.gz	LFWCGXYGWROXQU-JTQLQIEISA-N	-1	0	313.383	0.272	20	30		DCEDRM
C=CCCn1cc(CN2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)nn1	ZINC001588820078	984281778	/nfs/dbraw/zinc/28/17/78/984281778.db2.gz	PLKFLINTASALEL-RYUDHWBXSA-N	-1	0	308.338	0.160	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O	ZINC001588825456	984300510	/nfs/dbraw/zinc/30/05/10/984300510.db2.gz	QQDSBSGFXXZBJN-OAHLLOKOSA-N	-1	0	323.349	0.362	20	30		DCEDRM
C=CCN1CC[C@@H](n2nnc(-c3ccc(C(=O)[O-])cc3)n2)C1=O	ZINC001588839786	984349619	/nfs/dbraw/zinc/34/96/19/984349619.db2.gz	VOLSOYFJDXHKIQ-GFCCVEGCSA-N	-1	0	313.317	0.998	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2cncc(C(=O)[O-])c2)C1=O	ZINC001588840118	984353197	/nfs/dbraw/zinc/35/31/97/984353197.db2.gz	ZTFAMMQXSHRGBC-LBPRGKRZSA-N	-1	0	303.318	0.639	20	30		DCEDRM
C=CCNC(=O)c1ccc(NCCn2cc(C(=O)[O-])nn2)nc1	ZINC001588843822	984354327	/nfs/dbraw/zinc/35/43/27/984354327.db2.gz	HTRKADCZABSNSL-UHFFFAOYSA-N	-1	0	316.321	0.399	20	30		DCEDRM
C=CCNc1nnc(S[C@@H](C)C(=O)NCC(=O)[O-])s1	ZINC001588849403	984371054	/nfs/dbraw/zinc/37/10/54/984371054.db2.gz	OSSOVMKLFIGUCK-LURJTMIESA-N	-1	0	302.381	0.817	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cn1ncc2cc(C)cnc21)C(=O)[O-]	ZINC001588856474	984400386	/nfs/dbraw/zinc/40/03/86/984400386.db2.gz	JHFQBHNDHOLLIM-GFCCVEGCSA-N	-1	0	318.333	0.512	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ncoc1-c1ccon1)C(=O)[O-]	ZINC001588860386	984412704	/nfs/dbraw/zinc/41/27/04/984412704.db2.gz	SSCDXFRRGBKRFN-VIFPVBQESA-N	-1	0	307.262	0.715	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(N(C)C)c(C=O)c1)C(=O)[O-]	ZINC001588861850	984416956	/nfs/dbraw/zinc/41/69/56/984416956.db2.gz	NLGUWVPUBAZGTP-CYBMUJFWSA-N	-1	0	320.345	0.951	20	30		DCEDRM
C=CCOc1cccc(NC(=O)NCC(=O)NCC(=O)[O-])c1	ZINC001588872870	984443138	/nfs/dbraw/zinc/44/31/38/984443138.db2.gz	OPQJNVQOBNZAFG-UHFFFAOYSA-N	-1	0	307.306	0.574	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1c(C)coc1CC(=O)[O-]	ZINC001588878821	984455726	/nfs/dbraw/zinc/45/57/26/984455726.db2.gz	KPELZUHSXBEKAA-UHFFFAOYSA-N	-1	0	315.347	0.546	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1	ZINC001524677781	1015037853	/nfs/dbraw/zinc/03/78/53/1015037853.db2.gz	OXDQUIHMJHZTIF-GFCCVEGCSA-N	-1	0	314.345	0.852	20	30		DCEDRM
C=CCn1c(-c2nccn2C)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588891549	984488167	/nfs/dbraw/zinc/48/81/67/984488167.db2.gz	NAKIHHKDDNHIQL-SNVBAGLBSA-N	-1	0	302.338	0.776	20	30		DCEDRM
C=CCn1c(C)nnc1S[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588896377	984501576	/nfs/dbraw/zinc/50/15/76/984501576.db2.gz	IJVTUIJHJPAIKX-SNVBAGLBSA-N	-1	0	310.379	0.940	20	30		DCEDRM
CC#CCCNC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588926894	984594468	/nfs/dbraw/zinc/59/44/68/984594468.db2.gz	BMLQPCANAPOVDR-NSHDSACASA-N	-1	0	305.338	0.736	20	30		DCEDRM
C/C(=C\C(=O)N1CCC(C#N)(C(=O)[O-])CC1)CN1CCOCC1	ZINC001588937731	984618464	/nfs/dbraw/zinc/61/84/64/984618464.db2.gz	QLXDXHZIJFPSCW-JLHYYAGUSA-N	-1	0	321.377	0.482	20	30		DCEDRM
CCCC[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001383212054	984721149	/nfs/dbraw/zinc/72/11/49/984721149.db2.gz	HGZRQKXRRWWGJT-MWLCHTKSSA-N	-1	0	321.381	0.988	20	30		DCEDRM
C[C@H]1CN(C(=O)c2cccc(C(=O)[O-])n2)C[C@H](C)N1CC#N	ZINC001594494503	985627092	/nfs/dbraw/zinc/62/70/92/985627092.db2.gz	QTXIHKKPMODQRO-QWRGUYRKSA-N	-1	0	302.334	0.838	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)c1cc(C(=O)[O-])no1)C1CC1	ZINC001589323380	986145789	/nfs/dbraw/zinc/14/57/89/986145789.db2.gz	BXWAPLFKXIMTSW-ZDUSSCGKSA-N	-1	0	307.262	0.338	20	30		DCEDRM
C[C@@](C#N)(NC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O)C1CC1	ZINC001589324115	986153601	/nfs/dbraw/zinc/15/36/01/986153601.db2.gz	VOMKTZZLJYDLAI-HNNXBMFYSA-N	-1	0	314.301	0.227	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1C	ZINC001589329174	986162457	/nfs/dbraw/zinc/16/24/57/986162457.db2.gz	KYOBJYKTFNBMPC-CKYFFXLPSA-N	-1	0	317.349	0.523	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001589329556	986164615	/nfs/dbraw/zinc/16/46/15/986164615.db2.gz	PKQOWJPBUPYACY-PGUXBMHVSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F	ZINC001589330537	986174438	/nfs/dbraw/zinc/17/44/38/986174438.db2.gz	JCYCZNGDSJZZSJ-ZCFIWIBFSA-N	-1	0	311.244	0.877	20	30		DCEDRM
C[C@@H](C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001589334124	986197880	/nfs/dbraw/zinc/19/78/80/986197880.db2.gz	AMNUXTBKKZZBEQ-GXFFZTMASA-N	-1	0	313.317	0.995	20	30		DCEDRM
C[C@H](C(=O)N[C@H](C(=O)[O-])c1cccnc1)n1cnc(C#N)n1	ZINC001589379222	986454808	/nfs/dbraw/zinc/45/48/08/986454808.db2.gz	ZTWVEHJTJPCKLE-KCJUWKMLSA-N	-1	0	300.278	0.048	20	30		DCEDRM
C[C@@H](C(=O)N[C@H](CC(=O)[O-])C1CCCC1)n1cnc(C#N)n1	ZINC001589381098	986462123	/nfs/dbraw/zinc/46/21/23/986462123.db2.gz	LYFYZPWXGAARQD-GXSJLCMTSA-N	-1	0	305.338	0.860	20	30		DCEDRM
C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C1CCCC1)n1cnc(C#N)n1	ZINC001589381101	986462374	/nfs/dbraw/zinc/46/23/74/986462374.db2.gz	LYFYZPWXGAARQD-ONGXEEELSA-N	-1	0	305.338	0.860	20	30		DCEDRM
C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001589439887	986779725	/nfs/dbraw/zinc/77/97/25/986779725.db2.gz	OIWRVRDEVOPGFO-OSMZGAPFSA-N	-1	0	317.345	0.653	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C[C@H]21	ZINC001589685255	987725534	/nfs/dbraw/zinc/72/55/34/987725534.db2.gz	WMGNBZRNCMAJJL-ZXPJVPCYSA-N	-1	0	318.373	0.330	20	30		DCEDRM
CCc1nn(CC(=O)C2(C(=O)[O-])CC2)c(=O)c(C#N)c1CC	ZINC001597722992	989004254	/nfs/dbraw/zinc/00/42/54/989004254.db2.gz	CAKBULWRQFNAPN-UHFFFAOYSA-N	-1	0	303.318	0.674	20	30		DCEDRM
CCc1nn(Cc2cnc(C(=O)[O-])cn2)c(=O)c(C#N)c1CC	ZINC001597724799	989024377	/nfs/dbraw/zinc/02/43/77/989024377.db2.gz	YXIOHLDTXVUXCA-UHFFFAOYSA-N	-1	0	313.317	0.776	20	30		DCEDRM
C[C@H](C#N)C(=O)NC1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001389412138	989214361	/nfs/dbraw/zinc/21/43/61/989214361.db2.gz	ZKTWPHYPDUWWTO-SSDOTTSWSA-N	-1	0	315.289	0.029	20	30		DCEDRM
C[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599864759	989227781	/nfs/dbraw/zinc/22/77/81/989227781.db2.gz	IEEWKAKFKAOKCP-ICCXJUOJSA-N	-1	0	303.318	0.259	20	30		DCEDRM
CN(C(=O)C(=O)Nc1ccn(CCC#N)n1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001597989902	990077033	/nfs/dbraw/zinc/07/70/33/990077033.db2.gz	GYFWRHPOARKYCW-AOOOYVTPSA-N	-1	0	319.321	0.057	20	30		DCEDRM
CN(C(=O)CN1CCC[C@@H](O)[C@@H]1C(=O)[O-])C1(C#N)CCCCC1	ZINC001598022864	990217694	/nfs/dbraw/zinc/21/76/94/990217694.db2.gz	JDIQZXQOWFBPAN-TZMCWYRMSA-N	-1	0	323.393	0.581	20	30		DCEDRM
CN(C)C(=O)[C@H]1CC[C@@H](CNc2ccc(C(=O)[O-])nc2C#N)O1	ZINC001598120275	990540864	/nfs/dbraw/zinc/54/08/64/990540864.db2.gz	XLTZGLQLPAVJOD-TVQRCGJNSA-N	-1	0	318.333	0.699	20	30		DCEDRM
COc1ccnc(OC)c1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599722474	991563263	/nfs/dbraw/zinc/56/32/63/991563263.db2.gz	KBSZAKUJWMGIPM-UHFFFAOYSA-N	-1	0	319.317	0.929	20	30		DCEDRM
CN(CC(C)(C)CNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)C#CC1CC1	ZINC001598424333	991772424	/nfs/dbraw/zinc/77/24/24/991772424.db2.gz	ZMMMFUIZQNGEMT-QWHCGFSZSA-N	-1	0	320.389	0.721	20	30		DCEDRM
CC(C)C[C@](C)(C#N)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001591124665	991817282	/nfs/dbraw/zinc/81/72/82/991817282.db2.gz	XRPRRAVUKHZVIU-IAQYHMDHSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CN(CCC#N)C[C@@H](O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC001598468866	991993136	/nfs/dbraw/zinc/99/31/36/991993136.db2.gz	MHVHMHVMDADSNY-SNVBAGLBSA-N	-1	0	323.305	0.878	20	30		DCEDRM
C=CCCCC(=O)NCCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001492814639	992153397	/nfs/dbraw/zinc/15/33/97/992153397.db2.gz	GZQWLKHLRKBHID-UHFFFAOYSA-N	-1	0	323.353	0.217	20	30		DCEDRM
C[S@](=O)c1ccc(CC(=O)N(CC#N)CCC(=O)[O-])cc1	ZINC001599779277	992344542	/nfs/dbraw/zinc/34/45/42/992344542.db2.gz	VOLJSIRRWLZRQP-NRFANRHFSA-N	-1	0	308.359	0.793	20	30		DCEDRM
CC(C)N(CCN(C)C(=O)C#CC1CC1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001591590618	992800505	/nfs/dbraw/zinc/80/05/05/992800505.db2.gz	AIAJEXXDFVGHLQ-KGLIPLIRSA-N	-1	0	320.389	0.816	20	30		DCEDRM
CN1C[C@H](C(=O)[O-])N(CCOc2ccccc2C#N)CC1=O	ZINC001598564161	993123152	/nfs/dbraw/zinc/12/31/52/993123152.db2.gz	QWRGKUBOEOOCPS-GFCCVEGCSA-N	-1	0	303.318	0.164	20	30		DCEDRM
COc1ccc(F)cc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001599582619	993571369	/nfs/dbraw/zinc/57/13/69/993571369.db2.gz	CZEGQAZPKMVWPP-UHFFFAOYSA-N	-1	0	302.283	0.433	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)Cn1cc([C@@H](C)O)nn1)C(=O)[O-]	ZINC001573308107	1163412262	/nfs/dbraw/zinc/41/22/62/1163412262.db2.gz	PXVDVMCDEJFWSY-HTQZYQBOSA-N	-1	0	302.718	0.043	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@H]2CC=CCC2)c(=O)[n-]c1=O	ZINC001464531559	1015919413	/nfs/dbraw/zinc/91/94/13/1015919413.db2.gz	NZDOCNRJYCDSHL-NSHDSACASA-N	-1	0	302.334	0.683	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCO[C@@H](C#N)C1	ZINC001598712283	995363009	/nfs/dbraw/zinc/36/30/09/995363009.db2.gz	KOBJQHMYFZMBMA-STQMWFEESA-N	-1	0	304.302	0.823	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)n1C	ZINC001598751131	995654830	/nfs/dbraw/zinc/65/48/30/995654830.db2.gz	LVSWMYQLRICTIT-BXKDBHETSA-N	-1	0	319.317	0.375	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C#N)n1C	ZINC001598768593	995860966	/nfs/dbraw/zinc/86/09/66/995860966.db2.gz	MGXDFOMOSLBJSC-JOYOIKCWSA-N	-1	0	319.317	0.375	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccncc1C#N	ZINC001598769692	995871890	/nfs/dbraw/zinc/87/18/90/995871890.db2.gz	CJQXIVNTKRSPNR-AAEUAGOBSA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc(C#N)cs1	ZINC001598770086	995876088	/nfs/dbraw/zinc/87/60/88/995876088.db2.gz	DOYNLFSQRBMROK-SCZZXKLOSA-N	-1	0	309.347	0.853	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C#N)o2)C1	ZINC001598774016	995910886	/nfs/dbraw/zinc/91/08/86/995910886.db2.gz	PARSBAWBVPKZRV-SCZZXKLOSA-N	-1	0	306.274	0.630	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccnc(C#N)c1	ZINC001598776300	995933697	/nfs/dbraw/zinc/93/36/97/995933697.db2.gz	JSLCMFKRYVGLFM-DGCLKSJQSA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)NCC2(C#N)CCC2)C[C@H]1C(=O)[O-]	ZINC001598805745	996184788	/nfs/dbraw/zinc/18/47/88/996184788.db2.gz	AGALZVUIUXJUOW-NXEZZACHSA-N	-1	0	309.322	0.195	20	30		DCEDRM
C[C@@]1(C#N)CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1	ZINC001593742769	996362465	/nfs/dbraw/zinc/36/24/65/996362465.db2.gz	DVIWJBOWDNRSTP-AWEZNQCLSA-N	-1	0	302.290	0.480	20	30		DCEDRM
C[C@@]1(C#N)CN(CC(=O)NC2(C(=O)[O-])CCCCC2)CCO1	ZINC001593743610	996369623	/nfs/dbraw/zinc/36/96/23/996369623.db2.gz	WKCZWDMWJKUDFN-CQSZACIVSA-N	-1	0	309.366	0.505	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccccc2OCC#N)C1	ZINC001599075660	996857147	/nfs/dbraw/zinc/85/71/47/996857147.db2.gz	MUCNIQRXZRJQAL-OAHLLOKOSA-N	-1	0	304.302	0.905	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(C#CCO)c2)C1	ZINC001599075686	996857751	/nfs/dbraw/zinc/85/77/51/996857751.db2.gz	OLZBDHRGFPFWPI-MRXNPFEDSA-N	-1	0	303.314	0.346	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)C[C@@H](C)O1	ZINC001598899292	997143756	/nfs/dbraw/zinc/14/37/56/997143756.db2.gz	MCBLWUGGAYXYFA-PELKAZGASA-N	-1	0	305.290	0.418	20	30		DCEDRM
CO[C@@H]1CCC[C@H]([C@H](NS(=O)(=O)CCCC#N)C(=O)[O-])C1	ZINC001599112649	997596892	/nfs/dbraw/zinc/59/68/92/997596892.db2.gz	NGRJSQIBZIRXMN-TUAOUCFPSA-N	-1	0	318.395	0.868	20	30		DCEDRM
N#CC1CCC(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1	ZINC001467463092	1016170762	/nfs/dbraw/zinc/17/07/62/1016170762.db2.gz	FEFJVVSIWJQLTH-UHFFFAOYSA-N	-1	0	307.354	0.916	20	30		DCEDRM
COCCN1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1=O	ZINC001599243563	998094318	/nfs/dbraw/zinc/09/43/18/998094318.db2.gz	SVKSPZPGJGXBRG-UHFFFAOYSA-N	-1	0	317.345	0.547	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C#N)c(C(=O)[O-])s1	ZINC001598955712	998236966	/nfs/dbraw/zinc/23/69/66/998236966.db2.gz	OCSJUHJXFRAOAF-YFKPBYRVSA-N	-1	0	318.332	0.423	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC001594140641	998435485	/nfs/dbraw/zinc/43/54/85/998435485.db2.gz	GCIZIJXIHHVVGZ-GZMMTYOYSA-N	-1	0	319.292	0.957	20	30		DCEDRM
COC(=O)c1cnc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001599008375	998875298	/nfs/dbraw/zinc/87/52/98/998875298.db2.gz	ZCTLLNUZCCHGAF-UHFFFAOYSA-N	-1	0	318.289	0.094	20	30		DCEDRM
CO[C@H](CS(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1)C(C)C	ZINC001599058456	999248162	/nfs/dbraw/zinc/24/81/62/999248162.db2.gz	LMQODIKIKSLLSC-LLVKDONJSA-N	-1	0	318.395	0.678	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(OCC#N)cc2)C1	ZINC001599070756	999330880	/nfs/dbraw/zinc/33/08/80/999330880.db2.gz	PSLFUNYPKVWUGC-INIZCTEOSA-N	-1	0	318.329	0.834	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCNC(=O)CC1(C)C	ZINC001418753269	1000493899	/nfs/dbraw/zinc/49/38/99/1000493899.db2.gz	CYCOSWRLHAZQOP-UHFFFAOYSA-N	-1	0	302.334	0.708	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NC/C=C\C2CC2)c(=O)[n-]c1=O	ZINC001470344341	1016422857	/nfs/dbraw/zinc/42/28/57/1016422857.db2.gz	UKJHYUZAGHKFNM-UPHRSURJSA-N	-1	0	303.322	0.086	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC[C@@H]1CCCS1(=O)=O	ZINC001419082957	1000751647	/nfs/dbraw/zinc/75/16/47/1000751647.db2.gz	NLOZEZAUMIOKCR-NSHDSACASA-N	-1	0	323.374	0.664	20	30		DCEDRM
N#Cc1c(F)cc(C(=O)NCc2nc([O-])cc(=O)[nH]2)cc1F	ZINC001470582966	1016461874	/nfs/dbraw/zinc/46/18/74/1016461874.db2.gz	JJOFNKLCLQZHFJ-UHFFFAOYSA-N	-1	0	306.228	0.968	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1noc2c1COCC2	ZINC001419979166	1001740564	/nfs/dbraw/zinc/74/05/64/1001740564.db2.gz	XYNBGPNSBFOMOT-UHFFFAOYSA-N	-1	0	314.301	0.958	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3ccoc3Cl)C2)c(=O)[n-]c1=O	ZINC001420658019	1002762565	/nfs/dbraw/zinc/76/25/65/1002762565.db2.gz	HQVBKDLQURQBKQ-UHFFFAOYSA-N	-1	0	320.692	0.764	20	30		DCEDRM
CCOC(=O)[C@]1(C)CCC[C@@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421207234	1003443720	/nfs/dbraw/zinc/44/37/20/1003443720.db2.gz	WANIMUMXVHPMKK-ZUZCIYMTSA-N	-1	0	320.349	0.479	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3cccs3)C2)c(=O)[n-]c1=O	ZINC001472370940	1016791505	/nfs/dbraw/zinc/79/15/05/1016791505.db2.gz	MJQNRMOFPXXIKG-UHFFFAOYSA-N	-1	0	302.315	0.579	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](CCO)c2ccccc2F)c(C#N)c1=O	ZINC001472814921	1016860734	/nfs/dbraw/zinc/86/07/34/1016860734.db2.gz	YCNIGEQICWAGSH-GFCCVEGCSA-N	-1	0	318.308	0.620	20	30		DCEDRM
C[C@@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@H](C(N)=O)C1	ZINC001473408930	1016925172	/nfs/dbraw/zinc/92/51/72/1016925172.db2.gz	JFVUHOSQKWMCCL-SKDRFNHKSA-N	-1	0	314.349	0.392	20	30		DCEDRM
C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001473428844	1016931657	/nfs/dbraw/zinc/93/16/57/1016931657.db2.gz	GNBMRYONOUTUGW-VUHZHCFISA-N	-1	0	319.390	0.648	20	30		DCEDRM
N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3ncc[n-]3)C2)nc1	ZINC001414277192	1005273407	/nfs/dbraw/zinc/27/34/07/1005273407.db2.gz	NXJOAUJZJNZTKJ-LLVKDONJSA-N	-1	0	319.346	0.518	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@H]2C[C@H]2c2ccccc2)c(=O)[n-]c1=O	ZINC001417731947	1005877915	/nfs/dbraw/zinc/87/79/15/1005877915.db2.gz	FFSZUVABEGNYEM-KBPBESRZSA-N	-1	0	324.340	0.883	20	30		DCEDRM
COCCn1[n-]nnc1=NC(=O)c1ccc(C(C)(C)C#N)cc1	ZINC001439417439	1006837648	/nfs/dbraw/zinc/83/76/48/1006837648.db2.gz	WGVMFHHHUPEUPM-UHFFFAOYSA-N	-1	0	314.349	0.795	20	30		DCEDRM
CC(C)(C)OCCCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001453845618	1008757586	/nfs/dbraw/zinc/75/75/86/1008757586.db2.gz	UBDOTRWFPKIAOW-UHFFFAOYSA-N	-1	0	322.365	0.532	20	30		DCEDRM
N#Cc1cccc([C@H]2CN(C(=O)CCc3nnn[n-]3)CCO2)c1	ZINC001433875674	1009291372	/nfs/dbraw/zinc/29/13/72/1009291372.db2.gz	RXRCRCOXKIOWIG-CYBMUJFWSA-N	-1	0	312.333	0.604	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@]2(C)CCN(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001506440985	1017280840	/nfs/dbraw/zinc/28/08/40/1017280840.db2.gz	ACIWLOLKVAMIMR-MRXNPFEDSA-N	-1	0	318.377	0.804	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN1C[C@@H](C)OC[C@H]1C	ZINC001434171201	1009633154	/nfs/dbraw/zinc/63/31/54/1009633154.db2.gz	SVJBJYZDIQIMHP-VXGBXAGGSA-N	-1	0	318.377	0.806	20	30		DCEDRM
N#Cc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001434207478	1009661560	/nfs/dbraw/zinc/66/15/60/1009661560.db2.gz	MYBSYICAMNHDPF-UHFFFAOYSA-N	-1	0	315.314	0.184	20	30		DCEDRM
CC(C)(C)c1coc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001434412796	1009922376	/nfs/dbraw/zinc/92/23/76/1009922376.db2.gz	AZQHNZDRZHQMEB-UHFFFAOYSA-N	-1	0	317.305	0.745	20	30		DCEDRM
CC[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001434423669	1009935859	/nfs/dbraw/zinc/93/58/59/1009935859.db2.gz	GMEHYMNXFISNQY-MRVPVSSYSA-N	-1	0	318.255	0.668	20	30		DCEDRM
CC(=O)N[C@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1	ZINC001434476154	1010002321	/nfs/dbraw/zinc/00/23/21/1010002321.db2.gz	UIUJKVIOMBDNLD-NSHDSACASA-N	-1	0	300.322	0.017	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@@H]1C	ZINC001520593778	1017293364	/nfs/dbraw/zinc/29/33/64/1017293364.db2.gz	XPIUODAWNCSKED-MNOVXSKESA-N	-1	0	322.365	0.346	20	30		DCEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)o1	ZINC001515066177	1017097436	/nfs/dbraw/zinc/09/74/36/1017097436.db2.gz	GNWPIQRXOZJYSO-SNVBAGLBSA-N	-1	0	310.331	0.168	20	30		DCEDRM
C[C@H](C[C@H](O)c1ccccc1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001458239301	1012114082	/nfs/dbraw/zinc/11/40/82/1012114082.db2.gz	YMLTYVPXMCRCOU-MFKMUULPSA-N	-1	0	314.345	0.869	20	30		DCEDRM
Cn1c(=O)[n-]c(N2Cc3c[nH]nc3CC(C)(C)C2)c(C#N)c1=O	ZINC001458518245	1012199834	/nfs/dbraw/zinc/19/98/34/1012199834.db2.gz	UYNUXFURQHHDMB-UHFFFAOYSA-N	-1	0	314.349	0.257	20	30		DCEDRM
N#Cc1cnn(C(=O)c2ncc(Br)cc2[O-])c1N	ZINC001557714139	1012295164	/nfs/dbraw/zinc/29/51/64/1012295164.db2.gz	CYIQRPOBEFDURK-UHFFFAOYSA-N	-1	0	308.095	0.889	20	30		DCEDRM
Cc1cccc2nc(CNc3[n-]c(=O)n(C)c(=O)c3C#N)cn21	ZINC001559097975	1012406578	/nfs/dbraw/zinc/40/65/78/1012406578.db2.gz	MCWRXVLEGSYQAS-UHFFFAOYSA-N	-1	0	310.317	0.514	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@](C)(NC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001432588102	1012649167	/nfs/dbraw/zinc/64/91/67/1012649167.db2.gz	VLDAHKOTMFMRNZ-RMLUDKJBSA-N	-1	0	305.338	0.304	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(CCNC(=O)[C@@H](C)C#N)C2CC2)c1[O-]	ZINC001429944728	1012979327	/nfs/dbraw/zinc/97/93/27/1012979327.db2.gz	OKBZVASMEFEBEK-QMMMGPOBSA-N	-1	0	305.338	0.304	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC[C@H]2CC2(Cl)Cl)c(C#N)c1=O	ZINC001515908054	1017134909	/nfs/dbraw/zinc/13/49/09/1017134909.db2.gz	JPXRFFWMFHBLIL-LURJTMIESA-N	-1	0	303.149	0.941	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](NC(=O)C#CC(C)C)C(C)C)c1[O-]	ZINC001500796031	1018662059	/nfs/dbraw/zinc/66/20/59/1018662059.db2.gz	CRFBSBCOIRWQMX-LBPRGKRZSA-N	-1	0	320.393	0.954	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)C1	ZINC001495870825	1018792094	/nfs/dbraw/zinc/79/20/94/1018792094.db2.gz	LCVVBTIZMLCTOW-NSHDSACASA-N	-1	0	321.381	0.184	20	30		DCEDRM
CC#CCCCC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001493132553	1019128765	/nfs/dbraw/zinc/12/87/65/1019128765.db2.gz	WORLNRPQCTZFAC-LBPRGKRZSA-N	-1	0	305.382	0.785	20	30		DCEDRM
Cc1csc(=O)n1CCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001607922184	1170525616	/nfs/dbraw/zinc/52/56/16/1170525616.db2.gz	UHLLFNJCOGUBJB-UHFFFAOYSA-N	-1	0	305.315	0.650	20	30		DCEDRM
N#CC1(NC(=O)COC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CCC1	ZINC001608177193	1170610074	/nfs/dbraw/zinc/61/00/74/1170610074.db2.gz	NNDWBBBOKDHVIN-MNOVXSKESA-N	-1	0	308.334	0.983	20	30		DCEDRM
CCCC[C@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)[O-]	ZINC000263464933	282973808	/nfs/dbraw/zinc/97/38/08/282973808.db2.gz	FWHCNCVZYPOJTQ-NSHDSACASA-N	-1	0	321.399	0.326	20	30		DCEDRM
CCO[C@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1	ZINC000070038046	190852743	/nfs/dbraw/zinc/85/27/43/190852743.db2.gz	PMQIGYNESTWLTR-SECBINFHSA-N	-1	0	322.383	0.498	20	30		DCEDRM
C[C@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)CC1(C#N)CC1	ZINC000275138405	238304336	/nfs/dbraw/zinc/30/43/36/238304336.db2.gz	OYYBTQKCAJLDGY-LLVKDONJSA-N	-1	0	323.374	0.990	20	30		DCEDRM
COC[C@@](C)(C#N)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000279085885	238340249	/nfs/dbraw/zinc/34/02/49/238340249.db2.gz	BUNQHAIPNVOUGJ-GZMMTYOYSA-N	-1	0	309.288	0.734	20	30		DCEDRM
COC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC	ZINC000356629252	239011623	/nfs/dbraw/zinc/01/16/23/239011623.db2.gz	VEMLZDAPSCCCQR-LLVKDONJSA-N	-1	0	318.395	0.568	20	30		DCEDRM
N#CCC1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1	ZINC000420586237	240047891	/nfs/dbraw/zinc/04/78/91/240047891.db2.gz	QMOLAXWIPKEXPN-MEDUHNTESA-N	-1	0	319.361	0.510	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1	ZINC000422688315	240177919	/nfs/dbraw/zinc/17/79/19/240177919.db2.gz	MRIMXCLMJXJAGE-OAHLLOKOSA-N	-1	0	301.302	0.820	20	30		DCEDRM
Cc1cc(N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c(C#N)cn1	ZINC000424379315	240257489	/nfs/dbraw/zinc/25/74/89/240257489.db2.gz	VIUQHHBEZROUAT-JSGCOSHPSA-N	-1	0	316.361	0.806	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000424387013	240259664	/nfs/dbraw/zinc/25/96/64/240259664.db2.gz	FRXXCYVJMHMLRU-LLVKDONJSA-N	-1	0	305.400	0.803	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)NCCC2CCCCC2)c1=O	ZINC000567859508	291385165	/nfs/dbraw/zinc/38/51/65/291385165.db2.gz	FSCUMERSTQGCEC-UHFFFAOYSA-N	-1	0	304.350	0.495	20	30		DCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)C1(c2cccc(C#N)c2)CC1	ZINC001647111693	1172681297	/nfs/dbraw/zinc/68/12/97/1172681297.db2.gz	HVXRFRKBFOSMBB-UHFFFAOYSA-N	-1	0	307.375	0.903	20	30		DCEDRM
COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000361821257	533243972	/nfs/dbraw/zinc/24/39/72/533243972.db2.gz	OJZJDDPUYOIBIN-ZETCQYMHSA-N	-1	0	314.285	0.704	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000263550950	533401670	/nfs/dbraw/zinc/40/16/70/533401670.db2.gz	KVZOPMNHHQVWPJ-JQWIXIFHSA-N	-1	0	311.363	0.881	20	30		DCEDRM
N#Cc1nc(NC(=O)CS(=O)(=O)C2CCCC2)[n-]c1C#N	ZINC000122554965	395887041	/nfs/dbraw/zinc/88/70/41/395887041.db2.gz	GSTMRJNKPIAAFE-UHFFFAOYSA-N	-1	0	307.335	0.449	20	30		DCEDRM
COC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000054040616	395892704	/nfs/dbraw/zinc/89/27/04/395892704.db2.gz	RKLDPKSQXXFYAP-UHFFFAOYSA-N	-1	0	320.330	0.729	20	30		DCEDRM
C[C@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126026126	395909034	/nfs/dbraw/zinc/90/90/34/395909034.db2.gz	MYEFEHQFHLZJMJ-WKEGUHRASA-N	-1	0	318.738	0.324	20	30		DCEDRM
CC(C)C[C@H](CNS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000232611265	395886575	/nfs/dbraw/zinc/88/65/75/395886575.db2.gz	BOPFJZPLOYZUNP-SNVBAGLBSA-N	-1	0	311.363	0.978	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1	ZINC000248574773	395990290	/nfs/dbraw/zinc/99/02/90/395990290.db2.gz	UMQPACIVSBCWKU-VWYCJHECSA-N	-1	0	303.322	0.394	20	30		DCEDRM
CC[C@](C)(C#N)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000073225391	396143976	/nfs/dbraw/zinc/14/39/76/396143976.db2.gz	YLYOZQFMLVCTAF-CQSZACIVSA-N	-1	0	301.306	0.754	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)CCO1	ZINC000264375784	396275071	/nfs/dbraw/zinc/27/50/71/396275071.db2.gz	KGLMKGJDNZXMQZ-VIFPVBQESA-N	-1	0	316.342	0.989	20	30		DCEDRM
CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594530094	396484284	/nfs/dbraw/zinc/48/42/84/396484284.db2.gz	HFLAQEWVHBIJCF-LBPRGKRZSA-N	-1	0	303.318	0.970	20	30		DCEDRM
N#CCCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1	ZINC000581109596	396526574	/nfs/dbraw/zinc/52/65/74/396526574.db2.gz	CRMAMINTSRLQGK-ZYHUDNBSSA-N	-1	0	302.352	0.043	20	30		DCEDRM
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)[N-]OCC2CC2)n1	ZINC000293356333	396602306	/nfs/dbraw/zinc/60/23/06/396602306.db2.gz	LCKDOZZWLSZGKU-UHFFFAOYSA-N	-1	0	305.338	0.906	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1n[n-]c(=O)o1	ZINC000595547734	396629035	/nfs/dbraw/zinc/62/90/35/396629035.db2.gz	RHUUPZKGQUWHOG-GFCCVEGCSA-N	-1	0	302.290	0.993	20	30		DCEDRM
N#Cc1cc(N(C#N)[C@H]2CCN(CC(=O)[O-])C2=O)ccc1F	ZINC000596010972	396708287	/nfs/dbraw/zinc/70/82/87/396708287.db2.gz	CKLMAGXYYKICAT-LBPRGKRZSA-N	-1	0	302.265	0.670	20	30		DCEDRM
CO[C@H](C)c1nc(=NC(=O)NC2CCN(CC#N)CC2)s[n-]1	ZINC000589251612	396710106	/nfs/dbraw/zinc/71/01/06/396710106.db2.gz	HIDYWTWYGCWZPP-SECBINFHSA-N	-1	0	324.410	0.777	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000596131269	396722297	/nfs/dbraw/zinc/72/22/97/396722297.db2.gz	KXYATCGMJLCDBJ-NSHDSACASA-N	-1	0	309.366	0.660	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1[O-]	ZINC000590416766	396774618	/nfs/dbraw/zinc/77/46/18/396774618.db2.gz	MKQLAVDPJCPOEY-NSHDSACASA-N	-1	0	313.317	0.984	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)n1	ZINC000610883279	396775115	/nfs/dbraw/zinc/77/51/15/396775115.db2.gz	CNUBCEIVBBMEHN-UHFFFAOYSA-N	-1	0	311.261	0.132	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1	ZINC000629780990	396831130	/nfs/dbraw/zinc/83/11/30/396831130.db2.gz	VMOOCMOHJWFFHO-JHJVBQTASA-N	-1	0	308.378	0.980	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC000600660139	396908863	/nfs/dbraw/zinc/90/88/63/396908863.db2.gz	REDZCFYVEFTIRX-SFYZADRCSA-N	-1	0	311.310	0.259	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)CC[C@@H]1C(=O)[O-]	ZINC000600800145	396943661	/nfs/dbraw/zinc/94/36/61/396943661.db2.gz	ILCPDVQFVRQTOL-BFQNTYOBSA-N	-1	0	321.377	0.708	20	30		DCEDRM
CC(C)(C)N1CC[C@H](NS(=O)(=O)c2cccnc2C#N)C1=O	ZINC000571437034	396951054	/nfs/dbraw/zinc/95/10/54/396951054.db2.gz	SVIHAEQQKSDCKJ-JTQLQIEISA-N	-1	0	322.390	0.631	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1	ZINC000377605221	397112027	/nfs/dbraw/zinc/11/20/27/397112027.db2.gz	ZTZWXZVQJNKOJB-LBPRGKRZSA-N	-1	0	314.305	0.050	20	30		DCEDRM
CCc1cccc2c1N(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)CC2	ZINC000602086638	397297356	/nfs/dbraw/zinc/29/73/56/397297356.db2.gz	TZPSXJCFBKGMNV-UHFFFAOYSA-N	-1	0	324.340	0.972	20	30		DCEDRM
CSCC[C@@H](C)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602102318	397300595	/nfs/dbraw/zinc/30/05/95/397300595.db2.gz	GZORNKDUZPVVJL-SECBINFHSA-N	-1	0	310.379	0.421	20	30		DCEDRM
CCC[C@H]1SCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602103789	397300815	/nfs/dbraw/zinc/30/08/15/397300815.db2.gz	PLRWGAJKGVNUSZ-LLVKDONJSA-N	-1	0	308.363	0.522	20	30		DCEDRM
C[C@H]1CSCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602110930	397305091	/nfs/dbraw/zinc/30/50/91/397305091.db2.gz	MMHKWDDUJIAHHL-VIFPVBQESA-N	-1	0	308.363	0.175	20	30		DCEDRM
N#Cc1cn(CC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)c(=O)[n-]c1=O	ZINC000602158736	397327569	/nfs/dbraw/zinc/32/75/69/397327569.db2.gz	DXJTUMNWRWVQAP-GXTWGEPZSA-N	-1	0	314.345	0.468	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)nn1	ZINC000578524907	397448806	/nfs/dbraw/zinc/44/88/06/397448806.db2.gz	IHAIGPKLPMDOMH-JTQLQIEISA-N	-1	0	317.353	0.698	20	30		DCEDRM
CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1	ZINC000578898228	397500752	/nfs/dbraw/zinc/50/07/52/397500752.db2.gz	RDURJSFFPLWTRO-ZYHUDNBSSA-N	-1	0	303.384	0.509	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599674317	397503596	/nfs/dbraw/zinc/50/35/96/397503596.db2.gz	BWKLLQCGTFPQHI-LBPRGKRZSA-N	-1	0	312.351	0.112	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)N2CCc3sccc3C2)c1=O	ZINC000579472541	397572807	/nfs/dbraw/zinc/57/28/07/397572807.db2.gz	ZNPAKGUVWBPWKC-UHFFFAOYSA-N	-1	0	316.342	0.055	20	30		DCEDRM
N#Cc1csc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)c1	ZINC000408404802	160101837	/nfs/dbraw/zinc/10/18/37/160101837.db2.gz	ARBLTIZLNDMPFY-SECBINFHSA-N	-1	0	300.361	0.858	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)n1	ZINC000123337994	286959904	/nfs/dbraw/zinc/95/99/04/286959904.db2.gz	KPRRPWNCZGRJHG-UHFFFAOYSA-N	-1	0	317.330	0.587	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]c2cc(C#N)ccn2)c([N+](=O)[O-])n1	ZINC000352885986	415361307	/nfs/dbraw/zinc/36/13/07/415361307.db2.gz	YOWHZAJRJXEBRJ-UHFFFAOYSA-N	-1	0	322.306	0.879	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-]	ZINC000274942835	415365083	/nfs/dbraw/zinc/36/50/83/415365083.db2.gz	FKLOOCMZPUZLTP-QMMMGPOBSA-N	-1	0	317.754	0.462	20	30		DCEDRM
C[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)n1cnc(C#N)n1	ZINC000337055614	415900579	/nfs/dbraw/zinc/90/05/79/415900579.db2.gz	QSRIBVGKKLBSFF-ZETCQYMHSA-N	-1	0	302.250	0.963	20	30		DCEDRM
N#CCNC(=O)C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F	ZINC000344833653	415996168	/nfs/dbraw/zinc/99/61/68/415996168.db2.gz	YUPRDBXQLPFVKS-UHFFFAOYSA-N	-1	0	323.708	0.536	20	30		DCEDRM
N#C[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccccc1F	ZINC000345947674	416173867	/nfs/dbraw/zinc/17/38/67/416173867.db2.gz	IBVNWYWYSAIZRU-MRVPVSSYSA-N	-1	0	303.253	0.604	20	30		DCEDRM
N#Cc1ccc(C(=O)CNS(=O)(=O)C[C@H]2CCOC2)cc1	ZINC000341073280	416203134	/nfs/dbraw/zinc/20/31/34/416203134.db2.gz	BMPSLKFWGLFSBJ-LBPRGKRZSA-N	-1	0	308.359	0.697	20	30		DCEDRM
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC2(C#N)CCC2)c1	ZINC000341283735	416207577	/nfs/dbraw/zinc/20/75/77/416207577.db2.gz	CHPZLQYYQHBGMC-UHFFFAOYSA-N	-1	0	323.374	0.819	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H]1COCCO1	ZINC000330508845	416211470	/nfs/dbraw/zinc/21/14/70/416211470.db2.gz	OYKXXPKLPWVZMP-JTQLQIEISA-N	-1	0	314.363	0.778	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NCCCc2n[nH]c(=O)[n-]2)cc1	ZINC000358590170	416257445	/nfs/dbraw/zinc/25/74/45/416257445.db2.gz	ZPWCJBDGKAFDFS-UHFFFAOYSA-N	-1	0	300.322	0.543	20	30		DCEDRM
C=CCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000189701385	416270014	/nfs/dbraw/zinc/27/00/14/416270014.db2.gz	KTRYPVRABGAZEA-UHFFFAOYSA-N	-1	0	301.334	0.623	20	30		DCEDRM
COCc1n[n-]c(S(=O)(=O)Cc2ccc(CC#N)cc2)n1	ZINC000342260420	416301222	/nfs/dbraw/zinc/30/12/22/416301222.db2.gz	UTTLOMHXOSHPCG-UHFFFAOYSA-N	-1	0	306.347	0.991	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000417448126	416382985	/nfs/dbraw/zinc/38/29/85/416382985.db2.gz	SZLCMMVUFKODDT-QWRGUYRKSA-N	-1	0	318.395	0.192	20	30		DCEDRM
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000422647759	416444132	/nfs/dbraw/zinc/44/41/32/416444132.db2.gz	BYNBAKRNTBXNHM-VIFPVBQESA-N	-1	0	319.317	0.873	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)/C=C\c1ccccc1	ZINC000492322195	416635938	/nfs/dbraw/zinc/63/59/38/416635938.db2.gz	LBSBGARDBBTQOA-PRDAAYKISA-N	-1	0	322.386	0.837	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	ZINC000514702895	416671994	/nfs/dbraw/zinc/67/19/94/416671994.db2.gz	HAJHKWNIOCVGAZ-SNVBAGLBSA-N	-1	0	306.384	0.351	20	30		DCEDRM
C[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)[C@@H]1C	ZINC000516650721	416732676	/nfs/dbraw/zinc/73/26/76/416732676.db2.gz	SNYFWYUYJKWYQN-CKYFFXLPSA-N	-1	0	304.350	0.349	20	30		DCEDRM
CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000558473411	416771584	/nfs/dbraw/zinc/77/15/84/416771584.db2.gz	QYPXNRLUIRTOMB-PSASIEDQSA-N	-1	0	302.308	0.044	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCC[C@@]1(C)C(=O)[O-]	ZINC000565058479	416915562	/nfs/dbraw/zinc/91/55/62/416915562.db2.gz	XSNGPHUEMOWAOK-NQBHXWOUSA-N	-1	0	317.411	0.946	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000519694681	416927915	/nfs/dbraw/zinc/92/79/15/416927915.db2.gz	XLVYHOXRCCUQOZ-OLZOCXBDSA-N	-1	0	323.374	0.979	20	30		DCEDRM
C=CCN(C(=O)C[C@H](C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000570696913	417382665	/nfs/dbraw/zinc/38/26/65/417382665.db2.gz	XLVVMDJZCXIKBK-QWRGUYRKSA-N	-1	0	303.380	0.689	20	30		DCEDRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2cncc(C#N)c2)[nH]n1	ZINC000580504970	417704891	/nfs/dbraw/zinc/70/48/91/417704891.db2.gz	XGVQEPMQSFVWGP-UHFFFAOYSA-N	-1	0	321.318	0.654	20	30		DCEDRM
C=CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)[C@H](C)COC	ZINC000659663472	418139668	/nfs/dbraw/zinc/13/96/68/418139668.db2.gz	ZGXMWPMSLACNHV-NEPJUHHUSA-N	-1	0	314.382	0.509	20	30		DCEDRM
COc1ccc(C(=O)NCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1	ZINC000355057155	261301972	/nfs/dbraw/zinc/30/19/72/261301972.db2.gz	RXRFWJSSECABPJ-UHFFFAOYSA-N	-1	0	324.300	0.530	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000417476459	262252848	/nfs/dbraw/zinc/25/28/48/262252848.db2.gz	BWPPYSZHSQNNTF-UHFFFAOYSA-N	-1	0	300.311	0.934	20	30		DCEDRM
COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000495694972	267380001	/nfs/dbraw/zinc/38/00/01/267380001.db2.gz	IYXPNLJMHZTKRS-UHFFFAOYSA-N	-1	0	311.319	0.109	20	30		DCEDRM
Cc1nsc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1C#N	ZINC000424471103	268101981	/nfs/dbraw/zinc/10/19/81/268101981.db2.gz	MVCVXXSWYMPICM-MRVPVSSYSA-N	-1	0	301.349	0.011	20	30		DCEDRM
N#Cc1ccc(C(=O)CNC(=O)CSc2n[nH]c(=O)[n-]2)cc1	ZINC000356235831	271037569	/nfs/dbraw/zinc/03/75/69/271037569.db2.gz	MEGJZLRRNPTWHB-UHFFFAOYSA-N	-1	0	317.330	0.473	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1C#N	ZINC000235833605	301387762	/nfs/dbraw/zinc/38/77/62/301387762.db2.gz	ZIIUGQJHMPQVMQ-GFCCVEGCSA-N	-1	0	310.331	0.341	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)[O-]	ZINC000518528082	332074312	/nfs/dbraw/zinc/07/43/12/332074312.db2.gz	PLXQLUNIOGVVQR-WDEREUQCSA-N	-1	0	307.368	0.131	20	30		DCEDRM
CC(C)CN(CCC(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000570051386	332707436	/nfs/dbraw/zinc/70/74/36/332707436.db2.gz	YWPNSDLKXDQQLM-NSHDSACASA-N	-1	0	305.400	0.755	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F	ZINC000570215442	332727844	/nfs/dbraw/zinc/72/78/44/332727844.db2.gz	HMLOQHVCLJHWOR-YUMQZZPRSA-N	-1	0	313.326	0.268	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)CNC(=O)c1cccc(O)c1	ZINC000274402084	334061081	/nfs/dbraw/zinc/06/10/81/334061081.db2.gz	ATFCVCJAWOFTRO-UHFFFAOYSA-N	-1	0	300.318	0.778	20	30		DCEDRM
COC(=O)[C@H]1CN(C([O-])=Nc2c(C)ccn(C)c2=O)CCO1	ZINC000330983240	334828091	/nfs/dbraw/zinc/82/80/91/334828091.db2.gz	JYNRPXZEZJVSNE-SNVBAGLBSA-N	-1	0	309.322	0.113	20	30		DCEDRM
C[C@@H](NS(=O)(=O)N(C)CCC#N)c1ncc(C(=O)[O-])s1	ZINC000519715276	335889908	/nfs/dbraw/zinc/88/99/08/335889908.db2.gz	VZMWWBOWUIERLM-SSDOTTSWSA-N	-1	0	318.380	0.582	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CC1CCC1)C(=O)[O-]	ZINC000584533035	337357412	/nfs/dbraw/zinc/35/74/12/337357412.db2.gz	ONXJGUOEPAGITG-CMPLNLGQSA-N	-1	0	317.411	0.946	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000422704759	337683563	/nfs/dbraw/zinc/68/35/63/337683563.db2.gz	QISXCSFZAKNGOV-VXGBXAGGSA-N	-1	0	312.366	0.265	20	30		DCEDRM
CC(C)C[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000424393945	337830054	/nfs/dbraw/zinc/83/00/54/337830054.db2.gz	SILZJTMULNUYMT-QWRGUYRKSA-N	-1	0	305.400	0.659	20	30		DCEDRM
COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cn1	ZINC000493470084	339926464	/nfs/dbraw/zinc/92/64/64/339926464.db2.gz	VGNNJCQCKHUBTM-IHWYPQMZSA-N	-1	0	322.346	0.248	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000496721989	340011301	/nfs/dbraw/zinc/01/13/01/340011301.db2.gz	QOHBBYWUWHEJOM-SECBINFHSA-N	-1	0	304.368	0.369	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC000543787004	341058759	/nfs/dbraw/zinc/05/87/59/341058759.db2.gz	HNHJISPGUFYBRT-JTQLQIEISA-N	-1	0	323.330	0.413	20	30		DCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]cn1	ZINC000135301567	341236248	/nfs/dbraw/zinc/23/62/48/341236248.db2.gz	AXUGTYHYNSLRMO-UHFFFAOYSA-N	-1	0	304.331	0.574	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@]1(C(=O)[O-])CCC(C)(C)C1	ZINC000552001299	341358873	/nfs/dbraw/zinc/35/88/73/341358873.db2.gz	VGDUSIQGRPMQBW-LBPRGKRZSA-N	-1	0	303.384	0.700	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-]	ZINC000573540505	341731337	/nfs/dbraw/zinc/73/13/37/341731337.db2.gz	VXLFVQAOFKQRSC-VIFPVBQESA-N	-1	0	323.321	0.846	20	30		DCEDRM
C=C(C)COCCNC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000574592085	341763139	/nfs/dbraw/zinc/76/31/39/341763139.db2.gz	OURLYVLVFIBRBM-NEPJUHHUSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CCCc2c1cnn2C)C(=O)[O-]	ZINC000576897503	341868665	/nfs/dbraw/zinc/86/86/65/341868665.db2.gz	JVNUXPCKUICNJL-RYUDHWBXSA-N	-1	0	322.365	0.753	20	30		DCEDRM
CC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1	ZINC000159698512	520240785	/nfs/dbraw/zinc/24/07/85/520240785.db2.gz	IETIUGKLVRCBMO-UHFFFAOYSA-N	-1	0	309.347	0.829	20	30		DCEDRM
N#CCNC(=O)CNC(=O)N=c1nc(-c2ccccc2)[n-]s1	ZINC000353261183	534681347	/nfs/dbraw/zinc/68/13/47/534681347.db2.gz	XZSZCYLSFKETLS-UHFFFAOYSA-N	-1	0	316.346	0.388	20	30		DCEDRM
C=CCNC(=O)CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-]	ZINC000340003562	526568376	/nfs/dbraw/zinc/56/83/76/526568376.db2.gz	BVDFJTXJXQDPFE-UHFFFAOYSA-N	-1	0	318.308	0.749	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CNC(=O)c1ccccc1)C(=O)[O-]	ZINC000263008328	526786010	/nfs/dbraw/zinc/78/60/10/526786010.db2.gz	MXMQQWUMBWUUED-GFCCVEGCSA-N	-1	0	306.318	0.188	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1cn2ccccc2n1)C(=O)[O-]	ZINC000262923874	526787621	/nfs/dbraw/zinc/78/76/21/526787621.db2.gz	GMDCMYOHEHBKRK-GFCCVEGCSA-N	-1	0	303.318	0.649	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCCN1C(=O)CC)C(=O)[O-]	ZINC000262859201	526790152	/nfs/dbraw/zinc/79/01/52/526790152.db2.gz	AOAZKHRBMGOSON-VXGBXAGGSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C	ZINC000291095565	527069702	/nfs/dbraw/zinc/06/97/02/527069702.db2.gz	QGJAMVQASFKAEQ-SNVBAGLBSA-N	-1	0	314.338	0.514	20	30		DCEDRM
C#C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(C)C	ZINC000281456581	527293637	/nfs/dbraw/zinc/29/36/37/527293637.db2.gz	IEMWMOPCQIJJHH-MRVPVSSYSA-N	-1	0	302.377	0.866	20	30		DCEDRM
C=CCC[C@@H](NC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)[O-]	ZINC000262781651	527437873	/nfs/dbraw/zinc/43/78/73/527437873.db2.gz	BBYSFCVENIACCR-LLVKDONJSA-N	-1	0	317.345	0.876	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C	ZINC000263214213	528383621	/nfs/dbraw/zinc/38/36/21/528383621.db2.gz	ZOHZYKWOYWALJT-WDEREUQCSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000284341098	528849120	/nfs/dbraw/zinc/84/91/20/528849120.db2.gz	RETGBWCDNZCPBT-XHDPSFHLSA-N	-1	0	321.381	0.597	20	30		DCEDRM
CS(=O)(=O)N1CC[C@H](CNC(=O)N=c2cn[n-]s2)C1	ZINC000330267125	546056662	/nfs/dbraw/zinc/05/66/62/546056662.db2.gz	QIIQDHDYGVXCIE-SSDOTTSWSA-N	-1	0	305.385	0.146	20	30		DCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000261676468	597052855	/nfs/dbraw/zinc/05/28/55/597052855.db2.gz	LBZCGCSMMRGDQG-SSDOTTSWSA-N	-1	0	313.291	0.560	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H](C(=O)[O-])C2)cc1	ZINC000163339101	597526283	/nfs/dbraw/zinc/52/62/83/597526283.db2.gz	NDOLCIDKKQIANJ-GFCCVEGCSA-N	-1	0	308.359	0.738	20	30		DCEDRM
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](C)C(=O)[O-]	ZINC000819874627	597611790	/nfs/dbraw/zinc/61/17/90/597611790.db2.gz	NOSBWHKQLNIRSV-RKDXNWHRSA-N	-1	0	305.290	0.505	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC1(CS(C)(=O)=O)CC1	ZINC000819866785	597615425	/nfs/dbraw/zinc/61/54/25/597615425.db2.gz	ZVOCCLXWBJQBHT-NSHDSACASA-N	-1	0	303.336	0.359	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NC(=O)c1ccccc1	ZINC000819866332	597616646	/nfs/dbraw/zinc/61/66/46/597616646.db2.gz	VWXKLKOMIXHHDH-HNNXBMFYSA-N	-1	0	318.285	0.491	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NCc1ccccc1F	ZINC000819866506	597624783	/nfs/dbraw/zinc/62/47/83/597624783.db2.gz	XRKKWHHYBNPSCZ-OAHLLOKOSA-N	-1	0	322.292	0.990	20	30		DCEDRM
CCOCCN1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H]1C	ZINC000820377828	597649086	/nfs/dbraw/zinc/64/90/86/597649086.db2.gz	KTDGRXSELBYXEL-DOMZBBRYSA-N	-1	0	311.382	0.560	20	30		DCEDRM
CCC1N=NC(=S)N1CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820503803	597650288	/nfs/dbraw/zinc/65/02/88/597650288.db2.gz	CQDAJWDPDXCJGK-LBPRGKRZSA-N	-1	0	311.367	0.250	20	30		DCEDRM
C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820245335	597656008	/nfs/dbraw/zinc/65/60/08/597656008.db2.gz	MPQWQJINMPCHHF-SIVJFFJCSA-N	-1	0	321.377	0.754	20	30		DCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)NCC(=O)[O-]	ZINC000820194597	597833160	/nfs/dbraw/zinc/83/31/60/597833160.db2.gz	QCZGQEFKVMGZMB-VIFPVBQESA-N	-1	0	306.274	0.070	20	30		DCEDRM
Cc1nnnn1-c1cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000821225046	598224216	/nfs/dbraw/zinc/22/42/16/598224216.db2.gz	RYKBHDIOGWPRLB-CQSZACIVSA-N	-1	0	314.305	0.914	20	30		DCEDRM
COC(=O)Cc1csc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000820668341	598225127	/nfs/dbraw/zinc/22/51/27/598225127.db2.gz	VVEZOEJMLDWXOH-LBPRGKRZSA-N	-1	0	311.319	0.802	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCNC(=O)c1cccs1	ZINC000819832930	598225809	/nfs/dbraw/zinc/22/58/09/598225809.db2.gz	DRFCCQKCDKXJND-CQSZACIVSA-N	-1	0	323.374	0.989	20	30		DCEDRM
CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000819955520	598226135	/nfs/dbraw/zinc/22/61/35/598226135.db2.gz	ZYJUGJMJZXODDP-IAQYHMDHSA-N	-1	0	309.366	0.754	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CS(=O)(=O)c2ccccc21	ZINC000819834463	598227837	/nfs/dbraw/zinc/22/78/37/598227837.db2.gz	NTBGOTBEAVSWAR-IINYFYTJSA-N	-1	0	322.342	0.636	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CS(=O)(=O)c2ccccc21	ZINC000819834465	598227872	/nfs/dbraw/zinc/22/78/72/598227872.db2.gz	NTBGOTBEAVSWAR-YGRLFVJLSA-N	-1	0	322.342	0.636	20	30		DCEDRM
Cn1cc(N2CCC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C2)cn1	ZINC000821298906	598228823	/nfs/dbraw/zinc/22/88/23/598228823.db2.gz	YSWIROCISFOVOE-IAQYHMDHSA-N	-1	0	319.365	0.510	20	30		DCEDRM
Cn1cc(C[C@H]2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)cn1	ZINC000821288103	598229326	/nfs/dbraw/zinc/22/93/26/598229326.db2.gz	ZLRPUDXIYOMJQB-ABAIWWIYSA-N	-1	0	304.350	0.816	20	30		DCEDRM
Cn1cc(C[C@H]2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)cn1	ZINC000821288104	598229408	/nfs/dbraw/zinc/22/94/08/598229408.db2.gz	ZLRPUDXIYOMJQB-IAQYHMDHSA-N	-1	0	304.350	0.816	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2	ZINC000819857195	598230683	/nfs/dbraw/zinc/23/06/83/598230683.db2.gz	UIJQQMCAXMKTJQ-AWEZNQCLSA-N	-1	0	322.342	0.959	20	30		DCEDRM
N#Cc1ccc(N2CC[C@H](OC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2=O)cc1	ZINC000739123418	599704609	/nfs/dbraw/zinc/70/46/09/599704609.db2.gz	QUIPRLVFAHMUGY-AVGNSLFASA-N	-1	0	314.297	0.927	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N(C)CC#N	ZINC000737679737	599770523	/nfs/dbraw/zinc/77/05/23/599770523.db2.gz	ASDXOAAEXCACHW-VIFPVBQESA-N	-1	0	319.317	0.954	20	30		DCEDRM
Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCN(CC#N)CC1	ZINC000738278110	599937522	/nfs/dbraw/zinc/93/75/22/599937522.db2.gz	RZVBZLJRZFRWDB-UHFFFAOYSA-N	-1	0	323.374	0.523	20	30		DCEDRM
Cc1nn(CCC(=O)[O-])c(C)c1C=NNC(=S)NC1CC1	ZINC000738923664	600005482	/nfs/dbraw/zinc/00/54/82/600005482.db2.gz	YMIRSRMLBDYDSV-UHFFFAOYSA-N	-1	0	309.395	0.935	20	30		DCEDRM
N#CCN1CCC(NC(=O)c2ccc(OCC(=O)[O-])cc2)CC1	ZINC000739087412	600149145	/nfs/dbraw/zinc/14/91/45/600149145.db2.gz	YMUDBMBJVXSVNZ-UHFFFAOYSA-N	-1	0	317.345	0.868	20	30		DCEDRM
C[C@H](OC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)NC1(C#N)CCCCC1	ZINC000736686173	600173774	/nfs/dbraw/zinc/17/37/74/600173774.db2.gz	RBAXDFWASNSRQS-GARJFASQSA-N	-1	0	308.334	0.981	20	30		DCEDRM
CSc1ncc(Cl)c(C(=O)N(CC#N)CC(=O)[O-])n1	ZINC000738214862	600400878	/nfs/dbraw/zinc/40/08/78/600400878.db2.gz	DGCDTFMGHJPXTG-UHFFFAOYSA-N	-1	0	300.727	0.902	20	30		DCEDRM
Cc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1S(C)(=O)=O	ZINC000738505167	600402072	/nfs/dbraw/zinc/40/20/72/600402072.db2.gz	WEAAYPDSPLJFLV-UHFFFAOYSA-N	-1	0	310.331	0.449	20	30		DCEDRM
CCN(CC)C(=O)N1CCC(C(=O)N(CC#N)CC(=O)[O-])CC1	ZINC000737080051	600402448	/nfs/dbraw/zinc/40/24/48/600402448.db2.gz	SLIZNIDYJOGYOC-UHFFFAOYSA-N	-1	0	324.381	0.597	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(=O)n(-c2ccccc2)n1	ZINC000739086082	600404645	/nfs/dbraw/zinc/40/46/45/600404645.db2.gz	FTHNTCRRGSEONL-UHFFFAOYSA-N	-1	0	312.285	0.283	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)Cn1cc(C(N)=O)c2ccccc21	ZINC000739079091	600406788	/nfs/dbraw/zinc/40/67/88/600406788.db2.gz	QVPURAJJSKGYSB-UHFFFAOYSA-N	-1	0	314.301	0.177	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1csc(-c2ncccn2)n1	ZINC000739086728	600407883	/nfs/dbraw/zinc/40/78/83/600407883.db2.gz	RMRTYHYPZMMHAP-UHFFFAOYSA-N	-1	0	303.303	0.650	20	30		DCEDRM
Cc1ccn2c(c1)ncc(C(=O)N(CC#N)CC(=O)[O-])c2=O	ZINC000738790056	600408816	/nfs/dbraw/zinc/40/88/16/600408816.db2.gz	VZGPUVNKDWJWRD-UHFFFAOYSA-N	-1	0	300.274	0.053	20	30		DCEDRM
COCCN(CCC(=O)[O-])CC(=O)Nc1sccc1C#N	ZINC000737795001	600641905	/nfs/dbraw/zinc/64/19/05/600641905.db2.gz	VIDWFWMIGCQAOP-UHFFFAOYSA-N	-1	0	311.363	0.981	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)Cc1cccc2cccnc21	ZINC000739087166	600764812	/nfs/dbraw/zinc/76/48/12/600764812.db2.gz	WXYPXQIEGDQNTG-UHFFFAOYSA-N	-1	0	319.342	0.975	20	30		DCEDRM
CC#CCN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21	ZINC000825710849	600838288	/nfs/dbraw/zinc/83/82/88/600838288.db2.gz	DMMNSCFXGOETBN-UHFFFAOYSA-N	-1	0	318.314	0.288	20	30		DCEDRM
CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1cn(C)nn1	ZINC000736126281	600885489	/nfs/dbraw/zinc/88/54/89/600885489.db2.gz	NUBWKPBDYIHCKS-LLVKDONJSA-N	-1	0	319.321	0.219	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC000825609109	600892515	/nfs/dbraw/zinc/89/25/15/600892515.db2.gz	VFPXXPJACMWRBY-UHFFFAOYSA-N	-1	0	318.285	0.249	20	30		DCEDRM
C#CCCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC000825605825	600925935	/nfs/dbraw/zinc/92/59/35/600925935.db2.gz	RODAGRFBQOUPSV-ZDUSSCGKSA-N	-1	0	316.313	0.395	20	30		DCEDRM
COc1ccc(NC(=O)CN(CC#N)CC(=O)[O-])c(OC)c1	ZINC000832393756	601002463	/nfs/dbraw/zinc/00/24/63/601002463.db2.gz	HFISSCLTUCOZQZ-UHFFFAOYSA-N	-1	0	307.306	0.552	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000825692312	601074762	/nfs/dbraw/zinc/07/47/62/601074762.db2.gz	PSUYJPMSFNMMMB-SNVBAGLBSA-N	-1	0	324.358	0.870	20	30		DCEDRM
COc1ccc(CN(C)C(=O)CN(CC#N)CC(=O)[O-])cc1F	ZINC000832304633	601226106	/nfs/dbraw/zinc/22/61/06/601226106.db2.gz	RXKHZJHPVMUPIK-UHFFFAOYSA-N	-1	0	323.324	0.703	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000830060066	601278168	/nfs/dbraw/zinc/27/81/68/601278168.db2.gz	ZEUDFGPYJASVJN-UHFFFAOYSA-N	-1	0	315.289	0.885	20	30		DCEDRM
COCCN1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000831743639	601310490	/nfs/dbraw/zinc/31/04/90/601310490.db2.gz	ADKAVDMIFGBZDO-OAHLLOKOSA-N	-1	0	303.362	0.948	20	30		DCEDRM
CCOC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC000829837515	601320227	/nfs/dbraw/zinc/32/02/27/601320227.db2.gz	HPJGYNSPCKOJAW-UONOGXRCSA-N	-1	0	318.329	0.948	20	30		DCEDRM
N#CCCn1ncc2c1ncnc2N1CCO[C@H](CC(=O)[O-])C1	ZINC000833066363	601382088	/nfs/dbraw/zinc/38/20/88/601382088.db2.gz	WEBPWIXRAGANJL-SNVBAGLBSA-N	-1	0	316.321	0.420	20	30		DCEDRM
C#CCN1CCN(C(=O)COc2ccc(CC(=O)[O-])cc2)CC1	ZINC000825618907	601387988	/nfs/dbraw/zinc/38/79/88/601387988.db2.gz	HJUGVXNKDJCTJT-UHFFFAOYSA-N	-1	0	316.357	0.470	20	30		DCEDRM
O=C([O-])CC1(NC(=O)CCNC(=O)C2N=CC=CC2=O)CCC1	ZINC000833202841	601432226	/nfs/dbraw/zinc/43/22/26/601432226.db2.gz	YODWVIZABHWDMJ-YPKPFQOOSA-N	-1	0	321.333	0.417	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000832910636	601482479	/nfs/dbraw/zinc/48/24/79/601482479.db2.gz	XIFRUUYIWXWNPR-OAHLLOKOSA-N	-1	0	319.292	0.830	20	30		DCEDRM
C[C@H](CS(=O)(=O)NCCNc1ccc(C#N)cn1)C(=O)[O-]	ZINC000827562514	601775246	/nfs/dbraw/zinc/77/52/46/601775246.db2.gz	BMIXRTJPWHVFRJ-SECBINFHSA-N	-1	0	312.351	0.005	20	30		DCEDRM
C[C@H](C(=O)N(CC#N)CC(=O)[O-])c1ccc(S(C)(=O)=O)cc1	ZINC000825972619	601804423	/nfs/dbraw/zinc/80/44/23/601804423.db2.gz	ZGIMSLNOZLKEND-JTQLQIEISA-N	-1	0	324.358	0.630	20	30		DCEDRM
COC(=O)c1ccc(NCC(=O)NCCC#N)cc1C(=O)[O-]	ZINC000831435230	601909368	/nfs/dbraw/zinc/90/93/68/601909368.db2.gz	QVOIETNAWPOHOC-UHFFFAOYSA-N	-1	0	305.290	0.613	20	30		DCEDRM
C[C@H](CC(=O)[O-])C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000827263445	602085434	/nfs/dbraw/zinc/08/54/34/602085434.db2.gz	QOLGDVGYPGFWND-LLVKDONJSA-N	-1	0	302.334	0.713	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)ccc1F	ZINC000738425831	602289930	/nfs/dbraw/zinc/28/99/30/602289930.db2.gz	PMCMQWSPLOHJIO-UHFFFAOYSA-N	-1	0	320.280	0.458	20	30		DCEDRM
Cc1nc(NC(=O)[C@H](C)CC(=O)[O-])n(-c2ccc(C#N)cc2)n1	ZINC000833002692	602296178	/nfs/dbraw/zinc/29/61/78/602296178.db2.gz	DASSIKFKVLVAEN-SECBINFHSA-N	-1	0	313.317	0.919	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2CCN(C(=O)[O-])CC2)cc1	ZINC000738425686	602491814	/nfs/dbraw/zinc/49/18/14/602491814.db2.gz	KJLJGOFWOKPEAO-UHFFFAOYSA-N	-1	0	303.318	0.954	20	30		DCEDRM
C#CCN1CCN(C(=O)[C@H](CNC(=O)[O-])c2ccccc2)CC1	ZINC000823450715	602924952	/nfs/dbraw/zinc/92/49/52/602924952.db2.gz	HHBRGBBKWHMALJ-OAHLLOKOSA-N	-1	0	315.373	0.815	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])cn1	ZINC000831142439	603130948	/nfs/dbraw/zinc/13/09/48/603130948.db2.gz	YRKMIJYVTYPUBN-CABZTGNLSA-N	-1	0	324.362	0.668	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-]	ZINC000828272366	603136355	/nfs/dbraw/zinc/13/63/55/603136355.db2.gz	ANFLXISKCDPWBZ-QWRGUYRKSA-N	-1	0	318.399	0.493	20	30		DCEDRM
C#CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1	ZINC000823838208	607816503	/nfs/dbraw/zinc/81/65/03/607816503.db2.gz	MBJSSKMPUYDJBA-UHFFFAOYSA-N	-1	0	313.321	0.014	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000831082848	603594887	/nfs/dbraw/zinc/59/48/87/603594887.db2.gz	SDOHVDPOPQZYQC-NSHDSACASA-N	-1	0	318.289	0.852	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000831087861	603602436	/nfs/dbraw/zinc/60/24/36/603602436.db2.gz	SHUMEUFCARBOHH-LLVKDONJSA-N	-1	0	304.262	0.923	20	30		DCEDRM
CC(C)(CNC(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC000823960929	603627565	/nfs/dbraw/zinc/62/75/65/603627565.db2.gz	UMPXUGXAPXOWON-UHFFFAOYSA-N	-1	0	305.338	0.775	20	30		DCEDRM
N#CCN1CCC(CNC(=O)C2(NC(=O)[O-])CCCC2)CC1	ZINC000831097754	603687998	/nfs/dbraw/zinc/68/79/98/603687998.db2.gz	SPTIUXQQCDGQRQ-UHFFFAOYSA-N	-1	0	308.382	0.919	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)c1	ZINC000823473941	603769753	/nfs/dbraw/zinc/76/97/53/603769753.db2.gz	JYXNLZNBABMHLP-ZDUSSCGKSA-N	-1	0	315.329	0.817	20	30		DCEDRM
C#CCSCCNC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823466445	603825172	/nfs/dbraw/zinc/82/51/72/603825172.db2.gz	AOSOJGKWGPCVHQ-NXEZZACHSA-N	-1	0	300.380	0.972	20	30		DCEDRM
COC[C@H](C)NC(=S)NN=CC1CCN(C(=O)[O-])CC1	ZINC000828902790	603855833	/nfs/dbraw/zinc/85/58/33/603855833.db2.gz	HOBUFCMKTKYGEB-VIFPVBQESA-N	-1	0	302.400	0.861	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)C[C@@H]2CCCN2C(=O)[O-])C1	ZINC000831102906	603916557	/nfs/dbraw/zinc/91/65/57/603916557.db2.gz	YWSNINVOFZBNEN-OLZOCXBDSA-N	-1	0	308.382	0.871	20	30		DCEDRM
CC(C)CCn1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)nn1	ZINC000824244199	604070632	/nfs/dbraw/zinc/07/06/32/604070632.db2.gz	FARIUDJIPGPYMD-NSHDSACASA-N	-1	0	320.353	0.652	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(-c2ccoc2)n[nH]1	ZINC000831086450	604076939	/nfs/dbraw/zinc/07/69/39/604076939.db2.gz	DVUUHODXJPXOHC-SNVBAGLBSA-N	-1	0	315.289	0.998	20	30		DCEDRM
Cc1cc(C)n(CCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000830016290	604077888	/nfs/dbraw/zinc/07/78/88/604077888.db2.gz	DMGFRQBMUALJEM-GFCCVEGCSA-N	-1	0	305.338	0.604	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccc(O)cc1	ZINC000831082944	604078629	/nfs/dbraw/zinc/07/86/29/604078629.db2.gz	SWSSKSRAJAHGSE-JTQLQIEISA-N	-1	0	305.290	0.485	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccccc1	ZINC000831076241	604081529	/nfs/dbraw/zinc/08/15/29/604081529.db2.gz	ILOJAQMUYUXSFO-NSHDSACASA-N	-1	0	302.290	0.339	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1ccc2c(c1)CCO2	ZINC000831082402	604081613	/nfs/dbraw/zinc/08/16/13/604081613.db2.gz	LUAACGKFBFRJER-ZDUSSCGKSA-N	-1	0	315.329	0.878	20	30		DCEDRM
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830812158	604081637	/nfs/dbraw/zinc/08/16/37/604081637.db2.gz	BTAQBZKGYFVUCJ-SNVBAGLBSA-N	-1	0	319.277	0.626	20	30		DCEDRM
CNC(=O)c1cccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000828566105	604088771	/nfs/dbraw/zinc/08/87/71/604088771.db2.gz	FXSUTJFEEOYXGK-GFCCVEGCSA-N	-1	0	316.317	0.374	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)NCCCNC(=O)[O-])c1C#N	ZINC000830512444	604128484	/nfs/dbraw/zinc/12/84/84/604128484.db2.gz	ZOTVISRXFMMXMS-UHFFFAOYSA-N	-1	0	304.306	0.579	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CC1	ZINC000823456839	604130878	/nfs/dbraw/zinc/13/08/78/604130878.db2.gz	QMKFFUAXVHKJEK-NSHDSACASA-N	-1	0	309.366	0.220	20	30		DCEDRM
C[C@@H]1CN(C(=O)Nc2nn(C)cc2C#N)C[C@H](C)N1C(=O)[O-]	ZINC000826020975	604154046	/nfs/dbraw/zinc/15/40/46/604154046.db2.gz	PYQYYKDQBNVUMP-DTORHVGOSA-N	-1	0	306.326	0.896	20	30		DCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000824881012	604242128	/nfs/dbraw/zinc/24/21/28/604242128.db2.gz	RTHNNNCEZKNVSW-BXKDBHETSA-N	-1	0	319.317	0.874	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1csc2nccn12	ZINC000831086510	604275602	/nfs/dbraw/zinc/27/56/02/604275602.db2.gz	FKIGRPDEXGMHEZ-JTQLQIEISA-N	-1	0	319.346	0.653	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@@H](NC(=O)[O-])C1	ZINC000831118289	604349413	/nfs/dbraw/zinc/34/94/13/604349413.db2.gz	SWUCSIXHGUHMBW-SECBINFHSA-N	-1	0	310.335	0.052	20	30		DCEDRM
Cn1ncc2c1nc(NN=Cc1ccc(C(=O)[O-])o1)[nH]c2=O	ZINC000833061801	604398253	/nfs/dbraw/zinc/39/82/53/604398253.db2.gz	IWJVRLKUIJIZEZ-UHFFFAOYSA-N	-1	0	302.250	0.806	20	30		DCEDRM
C#CCOCCC(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000833363975	604553831	/nfs/dbraw/zinc/55/38/31/604553831.db2.gz	GPLAEDZVQPYCKI-CYBMUJFWSA-N	-1	0	305.330	0.792	20	30		DCEDRM
C=CCCOCCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833374818	604654438	/nfs/dbraw/zinc/65/44/38/604654438.db2.gz	HAHWVXUJJBSTIY-GFCCVEGCSA-N	-1	0	300.355	0.446	20	30		DCEDRM
N#C[C@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1ccc(F)cc1	ZINC000831071064	604676533	/nfs/dbraw/zinc/67/65/33/604676533.db2.gz	XLBCQBQFZINBOO-RYUDHWBXSA-N	-1	0	307.281	0.885	20	30		DCEDRM
N#Cc1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)s1	ZINC000833071322	604706322	/nfs/dbraw/zinc/70/63/22/604706322.db2.gz	FOPVSWRZQACNFZ-UHFFFAOYSA-N	-1	0	306.303	0.695	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)CCc1ccccc1C(=O)[O-]	ZINC000833365095	604734001	/nfs/dbraw/zinc/73/40/01/604734001.db2.gz	BMBVGKGLWGRZPA-NSHDSACASA-N	-1	0	303.314	0.999	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000824054747	604802606	/nfs/dbraw/zinc/80/26/06/604802606.db2.gz	CAPKUMSWWYBPIF-OLZOCXBDSA-N	-1	0	324.381	0.058	20	30		DCEDRM
C[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCN1C(=O)[O-]	ZINC000825956298	604816283	/nfs/dbraw/zinc/81/62/83/604816283.db2.gz	RILJBXNAJMXZIX-NSHDSACASA-N	-1	0	316.313	0.978	20	30		DCEDRM
CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000826550255	604830092	/nfs/dbraw/zinc/83/00/92/604830092.db2.gz	CYZLGNDXEZQQAH-UHFFFAOYSA-N	-1	0	307.281	0.863	20	30		DCEDRM
C=C(C)COCCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833369306	604895111	/nfs/dbraw/zinc/89/51/11/604895111.db2.gz	PYZJMLZSFYFWHL-GFCCVEGCSA-N	-1	0	300.355	0.446	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833366619	605028346	/nfs/dbraw/zinc/02/83/46/605028346.db2.gz	FMRYIJSWHMTXKA-UHFFFAOYSA-N	-1	0	309.347	0.144	20	30		DCEDRM
C=CCOc1cccnc1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-]	ZINC000833378479	605078099	/nfs/dbraw/zinc/07/80/99/605078099.db2.gz	FQMVCQDSEXDXPQ-VIFPVBQESA-N	-1	0	308.290	0.393	20	30		DCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000833508877	605092499	/nfs/dbraw/zinc/09/24/99/605092499.db2.gz	LMFXBEQUMMUHLT-NSHDSACASA-N	-1	0	322.369	0.547	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000833377790	605288096	/nfs/dbraw/zinc/28/80/96/605288096.db2.gz	BHVOVAIXJWVDPC-LBPRGKRZSA-N	-1	0	304.368	0.093	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCc2n[nH]cc2C1	ZINC000833965469	605321111	/nfs/dbraw/zinc/32/11/11/605321111.db2.gz	AZJXTCLKRCDFRH-MWLCHTKSSA-N	-1	0	303.322	0.229	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)NCCCNC(=O)[O-])c1	ZINC000833975085	605368486	/nfs/dbraw/zinc/36/84/86/605368486.db2.gz	ZRGRKOIEWWZDJD-UHFFFAOYSA-N	-1	0	315.326	0.774	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000833974932	605369677	/nfs/dbraw/zinc/36/96/77/605369677.db2.gz	XNVLKYTWSWMVBA-UHFFFAOYSA-N	-1	0	313.310	0.479	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)NC[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000833976792	605424821	/nfs/dbraw/zinc/42/48/21/605424821.db2.gz	QZSCIFZFWWMCMZ-ZDUSSCGKSA-N	-1	0	323.374	0.978	20	30		DCEDRM
CC(C[C@@H]1CCCN1C(=O)[O-])N=Nc1ccc(C(N)=O)nn1	ZINC000824759760	605466057	/nfs/dbraw/zinc/46/60/57/605466057.db2.gz	PFVZDPGVEBQBFB-VIFPVBQESA-N	-1	0	306.326	0.896	20	30		DCEDRM
N#CCCCNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1	ZINC000833969958	605589208	/nfs/dbraw/zinc/58/92/08/605589208.db2.gz	ZDPLHDSLFARLLW-UHFFFAOYSA-N	-1	0	304.306	0.813	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(=O)OC)cn1	ZINC000833369034	605646252	/nfs/dbraw/zinc/64/62/52/605646252.db2.gz	ZZKSTTDHFWGYOF-GXFFZTMASA-N	-1	0	316.313	0.541	20	30		DCEDRM
Cc1onc(CC(=O)N2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)c1C#N	ZINC000833934772	605695589	/nfs/dbraw/zinc/69/55/89/605695589.db2.gz	BKKCKEOQFOTABJ-IUCAKERBSA-N	-1	0	306.322	0.996	20	30		DCEDRM
Cc1onc(CC(=O)N2C[C@@H](CNC(=O)[O-])C[C@@H]2C)c1C#N	ZINC000833937651	605697931	/nfs/dbraw/zinc/69/79/31/605697931.db2.gz	YOJVKPFZTDLKQU-WCBMZHEXSA-N	-1	0	306.322	0.902	20	30		DCEDRM
N#CCCN(CC1CC1)C(=O)CN1CCC(NC(=O)[O-])CC1	ZINC000831096989	605699458	/nfs/dbraw/zinc/69/94/58/605699458.db2.gz	ATGLIEWVXLEKAN-UHFFFAOYSA-N	-1	0	308.382	0.871	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)cc1	ZINC000833973316	605767932	/nfs/dbraw/zinc/76/79/32/605767932.db2.gz	NBVAEYMCTIHKJZ-QWHCGFSZSA-N	-1	0	318.285	0.456	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)NCC1CN(C(=O)[O-])C1	ZINC000833974023	605777992	/nfs/dbraw/zinc/77/79/92/605777992.db2.gz	GYKPQDPATZQNFP-UHFFFAOYSA-N	-1	0	320.280	0.362	20	30		DCEDRM
COc1ccc(C#N)cc1COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000829260484	605813214	/nfs/dbraw/zinc/81/32/14/605813214.db2.gz	SXHZMMFDIQRLLP-RYUDHWBXSA-N	-1	0	320.301	0.723	20	30		DCEDRM
N#CCN1CCC(NC(=O)NC[C@@H](NC(=O)[O-])C2CC2)CC1	ZINC000833967971	605816771	/nfs/dbraw/zinc/81/67/71/605816771.db2.gz	VZULOTKPGUXUHT-GFCCVEGCSA-N	-1	0	309.370	0.320	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NC[C@@H](NC(=O)[O-])C2CC2)CCN1C1CC1	ZINC000833968021	605850032	/nfs/dbraw/zinc/85/00/32/605850032.db2.gz	TZIDOBQTDKMTKA-QWHCGFSZSA-N	-1	0	321.381	0.414	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833858209	606010745	/nfs/dbraw/zinc/01/07/45/606010745.db2.gz	XWIYXQSDKZTXQP-UHFFFAOYSA-N	-1	0	321.293	0.485	20	30		DCEDRM
N#C[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C1CCCCC1	ZINC000833964772	606017884	/nfs/dbraw/zinc/01/78/84/606017884.db2.gz	PIJQLIMPVIIBJC-LBPRGKRZSA-N	-1	0	323.349	0.824	20	30		DCEDRM
O=C([O-])N[C@@H]1CCCCCC1=NN[C@H]1CCS(=O)(=O)C1	ZINC000834186915	606077273	/nfs/dbraw/zinc/07/72/73/606077273.db2.gz	WGIXPHBUTRLHCG-VHSXEESVSA-N	-1	0	303.384	0.719	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cc(-c2nn[nH]n2)cs1	ZINC000822802148	606462119	/nfs/dbraw/zinc/46/21/19/606462119.db2.gz	WIDQDQCBHLQUPQ-VIFPVBQESA-N	-1	0	316.346	0.873	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1	ZINC000823837276	607956028	/nfs/dbraw/zinc/95/60/28/607956028.db2.gz	ADMIGNASAVEQFJ-GFCCVEGCSA-N	-1	0	322.332	0.339	20	30		DCEDRM
C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)C1	ZINC001032614206	665423762	/nfs/dbraw/zinc/42/37/62/665423762.db2.gz	KBCHCNHIOGFNJW-QWRGUYRKSA-N	-1	0	303.366	0.652	20	30		DCEDRM
C#CCNC(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[nH]2)C1	ZINC000891567407	657488733	/nfs/dbraw/zinc/48/87/33/657488733.db2.gz	IAFWYWONIQWZRX-NSHDSACASA-N	-1	0	303.366	0.817	20	30		DCEDRM
Cn1ncc(C(=O)[N-]S(=O)(=O)CCCC#N)c1-n1cccc1	ZINC000181276268	665517234	/nfs/dbraw/zinc/51/72/34/665517234.db2.gz	OLJRNIVBIPXJBC-UHFFFAOYSA-N	-1	0	321.362	0.574	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC000939398231	665571282	/nfs/dbraw/zinc/57/12/82/665571282.db2.gz	VJZUHVWYRTVOEH-PSASIEDQSA-N	-1	0	305.338	0.256	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC000975218908	658960476	/nfs/dbraw/zinc/96/04/76/658960476.db2.gz	JISDTCXGGZJAML-GXSJLCMTSA-N	-1	0	319.365	0.552	20	30		DCEDRM
C[C@@H]1CO[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)C1	ZINC000892664286	659103559	/nfs/dbraw/zinc/10/35/59/659103559.db2.gz	NPGSXNFNPXVLQP-GXFFZTMASA-N	-1	0	308.359	0.929	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cn(C)nc1CC	ZINC000181247747	659119388	/nfs/dbraw/zinc/11/93/88/659119388.db2.gz	TXNXWGRZKDGDKZ-LLVKDONJSA-N	-1	0	306.366	0.848	20	30		DCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)c1cnc(OC)nc1	ZINC000893773994	661406061	/nfs/dbraw/zinc/40/60/61/661406061.db2.gz	XYJFZHXPCLXTCK-UHFFFAOYSA-N	-1	0	311.363	0.874	20	30		DCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)CCCCS(C)(=O)=O	ZINC000893813371	661411332	/nfs/dbraw/zinc/41/13/32/661411332.db2.gz	NOARDJHPEPLOJV-UHFFFAOYSA-N	-1	0	311.425	0.614	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000726350673	661656774	/nfs/dbraw/zinc/65/67/74/661656774.db2.gz	WHLFDLTVFVWWJM-NEPJUHHUSA-N	-1	0	305.396	0.983	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)s1	ZINC000728147318	662354698	/nfs/dbraw/zinc/35/46/98/662354698.db2.gz	FAWRQACOKGWYHI-QMMMGPOBSA-N	-1	0	309.347	0.322	20	30		DCEDRM
C[C@@H]1CC(=NC(=O)c2c[nH]nc2I)NO1	ZINC000897252638	662410970	/nfs/dbraw/zinc/41/09/70/662410970.db2.gz	HGKRFSAVQPBMKD-SCSAIBSYSA-N	-1	0	320.090	0.866	20	30		DCEDRM
CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cn1	ZINC000728765839	662416018	/nfs/dbraw/zinc/41/60/18/662416018.db2.gz	VBOFQRGIOMBNNB-GFCCVEGCSA-N	-1	0	314.345	0.822	20	30		DCEDRM
C[C@H]1[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000986131646	662559846	/nfs/dbraw/zinc/55/98/46/662559846.db2.gz	IXDSXDKRNDOYIV-WCBMZHEXSA-N	-1	0	315.337	0.103	20	30		DCEDRM
C[C@H]1[C@H](NCC#N)CCN1C(=O)c1cnc(C2CC2)[nH]c1=O	ZINC000987135528	662647323	/nfs/dbraw/zinc/64/73/23/662647323.db2.gz	HTQVDQMWOKQTEQ-JOYOIKCWSA-N	-1	0	301.350	0.776	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1C#N	ZINC000263205772	662656240	/nfs/dbraw/zinc/65/62/40/662656240.db2.gz	MXNFAOWSQDUDSB-CABZTGNLSA-N	-1	0	323.374	0.993	20	30		DCEDRM
C=CCn1c(=O)c2ccc(C(=O)N(C)CCO)cc2[n-]c1=S	ZINC000128324644	663088697	/nfs/dbraw/zinc/08/86/97/663088697.db2.gz	XCEMFNXNGSRXFY-UHFFFAOYSA-N	-1	0	319.386	0.936	20	30		DCEDRM
CC(C)CN(C)S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899925496	663201157	/nfs/dbraw/zinc/20/11/57/663201157.db2.gz	FERZYPQOLYCERT-GFCCVEGCSA-N	-1	0	302.396	0.619	20	30		DCEDRM
C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)C1	ZINC000899929235	663201317	/nfs/dbraw/zinc/20/13/17/663201317.db2.gz	ACAPSPRDSPWPHQ-QWHCGFSZSA-N	-1	0	314.407	0.763	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899927507	663201504	/nfs/dbraw/zinc/20/15/04/663201504.db2.gz	WNAWQKFNSUYEDU-LLVKDONJSA-N	-1	0	311.363	0.217	20	30		DCEDRM
C=CCSCCNC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC000900284233	663231634	/nfs/dbraw/zinc/23/16/34/663231634.db2.gz	GXNWTAQZYBGLBH-ZDUSSCGKSA-N	-1	0	312.395	0.945	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CCC[C@H](C(F)(F)F)O2)c1=O	ZINC000901567078	663351373	/nfs/dbraw/zinc/35/13/73/663351373.db2.gz	YLCTVDAFVYXIEC-RKDXNWHRSA-N	-1	0	303.240	0.908	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	ZINC000903060038	663445946	/nfs/dbraw/zinc/44/59/46/663445946.db2.gz	ZCUOKQWDEYAHOP-GFCCVEGCSA-N	-1	0	320.411	0.741	20	30		DCEDRM
N#Cc1c([N-]S(=O)(=O)CCCCF)nc2n1CCOC2	ZINC000903691178	663473900	/nfs/dbraw/zinc/47/39/00/663473900.db2.gz	JUTYXSGATDVUBW-UHFFFAOYSA-N	-1	0	302.331	0.776	20	30		DCEDRM
C=C(C)COCCNC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000905535938	663561892	/nfs/dbraw/zinc/56/18/92/663561892.db2.gz	FGRHJODRJLLGNR-NEPJUHHUSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000907014971	663660411	/nfs/dbraw/zinc/66/04/11/663660411.db2.gz	LYJGCRIOUBKVKQ-LLVKDONJSA-N	-1	0	309.343	0.716	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)[N-]N2C(=O)N[C@@](C)(CC)C2=O)cc1	ZINC000907154809	663674177	/nfs/dbraw/zinc/67/41/77/663674177.db2.gz	GFPSOSBWKCAQME-AWEZNQCLSA-N	-1	0	321.358	0.582	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000908702873	663766722	/nfs/dbraw/zinc/76/67/22/663766722.db2.gz	CGCMMBCCZYNBKX-UTUOFQBUSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H]1CSCCS1)C(=O)[O-]	ZINC000909002089	663778306	/nfs/dbraw/zinc/77/83/06/663778306.db2.gz	JUGAPYCMCKJZDQ-VHSXEESVSA-N	-1	0	320.436	0.790	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)NC[C@]1(OC)CCOC1)C(=O)[O-]	ZINC000909191251	663786097	/nfs/dbraw/zinc/78/60/97/663786097.db2.gz	RDWCVGRZVKSVAH-JOYOIKCWSA-N	-1	0	306.746	0.687	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000909236811	663788772	/nfs/dbraw/zinc/78/87/72/663788772.db2.gz	BQVLOCAXGBGFMZ-ZDEQEGDKSA-N	-1	0	312.366	0.757	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1c(C)nn(CC)c1C)C(=O)[O-]	ZINC000909770841	663800415	/nfs/dbraw/zinc/80/04/15/663800415.db2.gz	LPEWRAUVKVUXKZ-ZDUSSCGKSA-N	-1	0	309.366	0.834	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC000909986484	663827290	/nfs/dbraw/zinc/82/72/90/663827290.db2.gz	MQJXETRXRDESAL-JTQLQIEISA-N	-1	0	306.322	0.178	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CSCN1C(=O)CCCC)C(=O)[O-]	ZINC000910054898	663837852	/nfs/dbraw/zinc/83/78/52/663837852.db2.gz	ULOGMFFXSAUGQF-GHMZBOCLSA-N	-1	0	312.391	0.671	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)C(=O)[O-]	ZINC000910053756	663838001	/nfs/dbraw/zinc/83/80/01/663838001.db2.gz	CXKAUJASZZVMDZ-CHWSQXEVSA-N	-1	0	318.304	0.771	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CSC(c2ccccc2O)=N1)C(=O)[O-]	ZINC000910050084	663841099	/nfs/dbraw/zinc/84/10/99/663841099.db2.gz	FDDBRKCVTHDWMH-MNOVXSKESA-N	-1	0	318.354	0.847	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)Cn2cc(C(=O)[O-])cn2)n1	ZINC000911717505	664102227	/nfs/dbraw/zinc/10/22/27/664102227.db2.gz	BZFCDZSXTCDMFV-UHFFFAOYSA-N	-1	0	315.333	0.460	20	30		DCEDRM
C#C[C@@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1CCOCC1	ZINC000911791102	664109897	/nfs/dbraw/zinc/10/98/97/664109897.db2.gz	LOZSTMWCKSQAGS-BFHYXJOUSA-N	-1	0	309.362	0.943	20	30		DCEDRM
C#C[C@H](NC(=O)CC1(C(=O)[O-])CCOCC1)C1CCOCC1	ZINC000911794087	664110243	/nfs/dbraw/zinc/11/02/43/664110243.db2.gz	XFBRJADFZKRKIF-ZDUSSCGKSA-N	-1	0	309.362	0.803	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC=CC23CCCC3)c(=O)[n-]c1=O	ZINC000913205605	664291843	/nfs/dbraw/zinc/29/18/43/664291843.db2.gz	JSLHWJDHAYSAMV-UHFFFAOYSA-N	-1	0	300.318	0.532	20	30		DCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2cc([O-])ccc2[N+](=O)[O-])c1=O	ZINC000157322098	664468907	/nfs/dbraw/zinc/46/89/07/664468907.db2.gz	RGLDXVZZBJGNFM-GORDUTHDSA-N	-1	0	317.257	0.584	20	30		DCEDRM
CCOC(=O)N[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C(C)C	ZINC000915067407	664859739	/nfs/dbraw/zinc/85/97/39/664859739.db2.gz	HDMCJMUINRRHRQ-SNVBAGLBSA-N	-1	0	304.310	0.862	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732620852	664948766	/nfs/dbraw/zinc/94/87/66/664948766.db2.gz	XJQTWOZHIKJYFJ-UHFFFAOYSA-N	-1	0	306.321	0.664	20	30		DCEDRM
C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C	ZINC000993548139	664979711	/nfs/dbraw/zinc/97/97/11/664979711.db2.gz	LZVWHCOSDVEUFH-VHSXEESVSA-N	-1	0	307.354	0.442	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnn2cccnc12	ZINC000916869331	665097900	/nfs/dbraw/zinc/09/79/00/665097900.db2.gz	XAVXJWURGDJEMC-LLVKDONJSA-N	-1	0	315.333	0.595	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc([S@@](C)=O)cc1	ZINC000916875882	665098378	/nfs/dbraw/zinc/09/83/78/665098378.db2.gz	VYWTUFDKWIXAPO-WHEQGISXSA-N	-1	0	322.386	0.899	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(NC(C)=O)c1	ZINC000916890442	665099129	/nfs/dbraw/zinc/09/91/29/665099129.db2.gz	HMCHGPIEFFYHMO-ZDUSSCGKSA-N	-1	0	303.318	0.730	20	30		DCEDRM
CNc1ccc(C([O-])=C(C#N)C(=O)NCCOC)cc1[N+](=O)[O-]	ZINC000916891527	665099419	/nfs/dbraw/zinc/09/94/19/665099419.db2.gz	BZECJYQVJJLSNO-JTQLQIEISA-N	-1	0	320.305	0.722	20	30		DCEDRM
Cc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000916927545	665100549	/nfs/dbraw/zinc/10/05/49/665100549.db2.gz	WNKPENUACIWBDE-ZDUSSCGKSA-N	-1	0	320.370	1.000	20	30		DCEDRM
N#Cc1nc(NC(=O)Cn2c(=O)[nH]c3ccccc32)[n-]c1C#N	ZINC000917099001	665115159	/nfs/dbraw/zinc/11/51/59/665115159.db2.gz	ZOMIUKHYWBLTQK-UHFFFAOYSA-N	-1	0	307.273	0.847	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(S(C)(=O)=O)cc1	ZINC000130632601	665194398	/nfs/dbraw/zinc/19/43/98/665194398.db2.gz	LWEJCYLOTRSOEH-GFCCVEGCSA-N	-1	0	308.359	0.937	20	30		DCEDRM
C#CC1(F)CN(C(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[n-]2)C1	ZINC000919917095	665244383	/nfs/dbraw/zinc/24/43/83/665244383.db2.gz	CLULDAUNVJKPDI-UHFFFAOYSA-N	-1	0	315.308	0.370	20	30		DCEDRM
C#CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000919929921	665245515	/nfs/dbraw/zinc/24/55/15/665245515.db2.gz	UGVKEUSHVXKURV-UHFFFAOYSA-N	-1	0	324.358	0.145	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c(=O)oc2c1	ZINC000920108208	665258922	/nfs/dbraw/zinc/25/89/22/665258922.db2.gz	QDVWYXRLHWKYMN-VIFPVBQESA-N	-1	0	303.274	0.618	20	30		DCEDRM
CN1CC[C@H]1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000921414226	665301649	/nfs/dbraw/zinc/30/16/49/665301649.db2.gz	GXBQNFABRJOODN-VIFPVBQESA-N	-1	0	301.318	0.819	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001003651902	666339706	/nfs/dbraw/zinc/33/97/06/666339706.db2.gz	JJBNPXLSHPVMHC-NEPJUHHUSA-N	-1	0	321.381	0.182	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)c1[O-]	ZINC000944007873	666367405	/nfs/dbraw/zinc/36/74/05/666367405.db2.gz	QKYOYXHENUTLGZ-GFCCVEGCSA-N	-1	0	316.361	0.558	20	30		DCEDRM
CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001032985129	666419789	/nfs/dbraw/zinc/41/97/89/666419789.db2.gz	HIUPUOUJCJEGMF-JTQLQIEISA-N	-1	0	315.337	0.057	20	30		DCEDRM
C#CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)CC1	ZINC000948673880	666465579	/nfs/dbraw/zinc/46/55/79/666465579.db2.gz	KZTQEUKSBIAPGR-GFCCVEGCSA-N	-1	0	318.377	0.046	20	30		DCEDRM
O=C([N-]S(=O)(=O)N1CCCCC1)c1ccc2nncn2c1	ZINC000073090939	666565294	/nfs/dbraw/zinc/56/52/94/666565294.db2.gz	FTSWVLGOSGTLBP-UHFFFAOYSA-N	-1	0	309.351	0.765	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc2nncn2c1	ZINC000733678328	666797306	/nfs/dbraw/zinc/79/73/06/666797306.db2.gz	YAECLGLHLHXMQB-LLVKDONJSA-N	-1	0	301.306	0.204	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC000861783992	666978346	/nfs/dbraw/zinc/97/83/46/666978346.db2.gz	OTZMVEHNNAFLFK-QMMMGPOBSA-N	-1	0	318.251	0.572	20	30		DCEDRM
C=CCOc1ccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1	ZINC000735437682	666987426	/nfs/dbraw/zinc/98/74/26/666987426.db2.gz	ORFBBAGJCIHOJB-ZDUSSCGKSA-N	-1	0	315.333	0.978	20	30		DCEDRM
O=[N+]([O-])c1ccc([O-])c(C=NN[C@@H]2CCCS(=O)(=O)C2)c1	ZINC000863129600	667112934	/nfs/dbraw/zinc/11/29/34/667112934.db2.gz	MHKXXEFIPOAJKG-SNVBAGLBSA-N	-1	0	313.335	0.801	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(S(C)(=O)=O)oc1C	ZINC000864136354	667218062	/nfs/dbraw/zinc/21/80/62/667218062.db2.gz	XQLCIPMQPHAFNQ-UHFFFAOYSA-N	-1	0	301.320	0.704	20	30		DCEDRM
C#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001032503089	667332128	/nfs/dbraw/zinc/33/21/28/667332128.db2.gz	DHCHJUBCCYOAOO-GJZGRUSLSA-N	-1	0	316.405	0.293	20	30		DCEDRM
C#CCC[C@H](O)CN=c1nn[n-]n1Cc1ccc(OC)cc1	ZINC000865756274	667344485	/nfs/dbraw/zinc/34/44/85/667344485.db2.gz	IAIKNSIMVKTINM-ZDUSSCGKSA-N	-1	0	301.350	0.338	20	30		DCEDRM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]N2CCCC2=O)c1	ZINC000867593769	667473108	/nfs/dbraw/zinc/47/31/08/667473108.db2.gz	DPRSGPMIALFHLP-UHFFFAOYSA-N	-1	0	323.374	0.418	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000737527237	667616236	/nfs/dbraw/zinc/61/62/36/667616236.db2.gz	GZYLVHGUDCKQSE-HNNXBMFYSA-N	-1	0	318.373	0.987	20	30		DCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000788091656	667662237	/nfs/dbraw/zinc/66/22/37/667662237.db2.gz	RWESOJOGNHPECG-UHFFFAOYSA-N	-1	0	320.330	0.750	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCOC[C@H]1CCCO1	ZINC000122658334	667668495	/nfs/dbraw/zinc/66/84/95/667668495.db2.gz	OXELPBDJZVJCJV-VXGBXAGGSA-N	-1	0	305.334	0.897	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000838799578	667707406	/nfs/dbraw/zinc/70/74/06/667707406.db2.gz	AVELTMQWUCGYHN-UHFFFAOYSA-N	-1	0	324.358	0.720	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000839015792	667726321	/nfs/dbraw/zinc/72/63/21/667726321.db2.gz	UJSOUVASJSNPJI-SECBINFHSA-N	-1	0	301.368	0.515	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccccc1CN(C)C	ZINC000870643614	667749641	/nfs/dbraw/zinc/74/96/41/667749641.db2.gz	MYMXTFZYYWIRJH-UHFFFAOYSA-N	-1	0	312.391	0.756	20	30		DCEDRM
CN(CC(=O)[N-]Oc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000870691140	667752024	/nfs/dbraw/zinc/75/20/24/667752024.db2.gz	DWNKNDRHFOTMSD-LBPRGKRZSA-N	-1	0	323.374	0.087	20	30		DCEDRM
Cc1c(C([O-])=C(C#N)C(=O)NCCCOC(C)C)nnn1C	ZINC000744023220	667819163	/nfs/dbraw/zinc/81/91/63/667819163.db2.gz	FPMCAJFXIGZESL-LLVKDONJSA-N	-1	0	307.354	0.377	20	30		DCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)NCCCOC)c1	ZINC000744024621	667819230	/nfs/dbraw/zinc/81/92/30/667819230.db2.gz	ZDUMEAVOOZGZDB-ZDUSSCGKSA-N	-1	0	317.345	0.521	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1	ZINC000871973187	667861135	/nfs/dbraw/zinc/86/11/35/667861135.db2.gz	OIIFTUVSBGFOIG-GFCCVEGCSA-N	-1	0	323.370	0.970	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000871973150	667861252	/nfs/dbraw/zinc/86/12/52/667861252.db2.gz	MUJRTCYAFZATSA-VIFPVBQESA-N	-1	0	313.306	0.547	20	30		DCEDRM
Cn1ccnc(N=NCc2ccc(OCC(=O)[O-])cc2)c1=O	ZINC000748081165	667918093	/nfs/dbraw/zinc/91/80/93/667918093.db2.gz	ZLUCHBOFVHFTDH-UHFFFAOYSA-N	-1	0	302.290	0.690	20	30		DCEDRM
COc1cc(C=NNc2nccn(C)c2=O)cc([N+](=O)[O-])c1[O-]	ZINC000748078926	667918218	/nfs/dbraw/zinc/91/82/18/667918218.db2.gz	HYQDYCFNGXQTJX-UHFFFAOYSA-N	-1	0	319.277	0.849	20	30		DCEDRM
CC(=NN[C@H]1CCS(=O)(=O)C1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749602999	667958168	/nfs/dbraw/zinc/95/81/68/667958168.db2.gz	DUPVQUGSUOALLU-JTQLQIEISA-N	-1	0	313.335	0.801	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C2	ZINC000873001664	667963180	/nfs/dbraw/zinc/96/31/80/667963180.db2.gz	RMBBLXHNSWHSBB-HZSPNIEDSA-N	-1	0	300.314	0.774	20	30		DCEDRM
Cc1oc(-c2cnn(C)c2)nc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000752161134	668013857	/nfs/dbraw/zinc/01/38/57/668013857.db2.gz	PWNDVJNZVJBYCN-NSHDSACASA-N	-1	0	313.317	0.985	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1OC	ZINC000755841429	668067394	/nfs/dbraw/zinc/06/73/94/668067394.db2.gz	BESWODCSLAKMEY-UHFFFAOYSA-N	-1	0	300.292	0.849	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000756500106	668090307	/nfs/dbraw/zinc/09/03/07/668090307.db2.gz	RVTYMZJMFVTSNE-UHFFFAOYSA-N	-1	0	312.303	0.440	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000756500021	668090325	/nfs/dbraw/zinc/09/03/25/668090325.db2.gz	LDPUKGLNZRWWJB-UHFFFAOYSA-N	-1	0	306.343	0.544	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1	ZINC000756503276	668091341	/nfs/dbraw/zinc/09/13/41/668091341.db2.gz	FJYZQKUAHFGYBO-UHFFFAOYSA-N	-1	0	309.343	0.734	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)c1ccccc1C(=O)[O-]	ZINC000757465544	668136555	/nfs/dbraw/zinc/13/65/55/668136555.db2.gz	QBPGCENJCJGSAJ-UHFFFAOYSA-N	-1	0	308.363	0.319	20	30		DCEDRM
CN(CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C(=O)C1CC1	ZINC000759185500	668209502	/nfs/dbraw/zinc/20/95/02/668209502.db2.gz	YDJOUFBCTAXZPZ-UHFFFAOYSA-N	-1	0	321.358	0.232	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CN1C(=O)c2ccccc2C1=O	ZINC000762047690	668344988	/nfs/dbraw/zinc/34/49/88/668344988.db2.gz	FYKFDODKFXVZNY-UHFFFAOYSA-N	-1	0	302.286	0.382	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(CS(C)(=O)=O)cc1	ZINC000763033090	668392972	/nfs/dbraw/zinc/39/29/72/668392972.db2.gz	JHFDREKFOQQQIK-UHFFFAOYSA-N	-1	0	317.388	0.477	20	30		DCEDRM
CON=Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)cc1	ZINC000764150246	668435427	/nfs/dbraw/zinc/43/54/27/668435427.db2.gz	LDAIPSGQCQRQLI-JTQLQIEISA-N	-1	0	314.363	0.761	20	30		DCEDRM
COC(=O)c1coc(C(=O)/C=C\c2cn(CC(=O)[O-])nn2)c1	ZINC000766503356	668537433	/nfs/dbraw/zinc/53/74/33/668537433.db2.gz	WSSOLKFBWMWZEC-IHWYPQMZSA-N	-1	0	305.246	0.638	20	30		DCEDRM
C=C1CCC(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1	ZINC000927962585	668540156	/nfs/dbraw/zinc/54/01/56/668540156.db2.gz	FQUHGAQRKQVXTD-GFCCVEGCSA-N	-1	0	310.350	0.161	20	30		DCEDRM
CC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000766990785	668556306	/nfs/dbraw/zinc/55/63/06/668556306.db2.gz	OKPUXUTYGCICJR-JTQLQIEISA-N	-1	0	312.347	0.797	20	30		DCEDRM
C[C@H](Oc1cccc(C=NN2CC(=O)N(C)C2=O)c1)C(=O)[O-]	ZINC000768382649	668606769	/nfs/dbraw/zinc/60/67/69/668606769.db2.gz	SKESUHNKOCSOFA-VIFPVBQESA-N	-1	0	305.290	0.766	20	30		DCEDRM
C=CCC[C@H](NC(=O)N[C@H](COC)[C@@H]1CCCO1)C(=O)[O-]	ZINC000929051475	668648022	/nfs/dbraw/zinc/64/80/22/668648022.db2.gz	XVWWPMRFFQHSHR-TUAOUCFPSA-N	-1	0	300.355	0.899	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)nc2)nc1C	ZINC000770209345	668683869	/nfs/dbraw/zinc/68/38/69/668683869.db2.gz	YXMMNSMGPXWEEK-UHFFFAOYSA-N	-1	0	319.346	0.597	20	30		DCEDRM
C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cc(=O)[n-]c(OC)n1	ZINC000770520961	668699198	/nfs/dbraw/zinc/69/91/98/668699198.db2.gz	KLSUHQJSZDWDDQ-JTQLQIEISA-N	-1	0	321.333	0.937	20	30		DCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000770602910	668702039	/nfs/dbraw/zinc/70/20/39/668702039.db2.gz	GIAQRUQPCQVZJN-UHFFFAOYSA-N	-1	0	311.363	0.640	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1	ZINC000772714507	668781976	/nfs/dbraw/zinc/78/19/76/668781976.db2.gz	RUAUXEQOVUVGCN-UHFFFAOYSA-N	-1	0	314.367	0.139	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774925375	668851381	/nfs/dbraw/zinc/85/13/81/668851381.db2.gz	ZNUDHWQVQBFBPV-UHFFFAOYSA-N	-1	0	318.337	0.913	20	30		DCEDRM
CCCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776116163	668871007	/nfs/dbraw/zinc/87/10/07/668871007.db2.gz	JANBRFDMKVRFKA-NSHDSACASA-N	-1	0	315.395	0.527	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(NC(N)=O)cc1	ZINC000776116900	668871080	/nfs/dbraw/zinc/87/10/80/668871080.db2.gz	DJKPSQLFDXQBFW-UHFFFAOYSA-N	-1	0	310.335	0.541	20	30		DCEDRM
Cn1c2cc(C(=O)[N-]S(=O)(=O)CCCC#N)ccc2[nH]c1=O	ZINC000776117542	668871162	/nfs/dbraw/zinc/87/11/62/668871162.db2.gz	TUYPAYQAAFCYFZ-UHFFFAOYSA-N	-1	0	322.346	0.642	20	30		DCEDRM
Cc1cc2nc(C)cc(C(=O)[N-]S(=O)(=O)CCCC#N)n2n1	ZINC000776123640	668871349	/nfs/dbraw/zinc/87/13/49/668871349.db2.gz	QZAMERZXCJBYRT-UHFFFAOYSA-N	-1	0	321.362	0.710	20	30		DCEDRM
CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776137818	668871588	/nfs/dbraw/zinc/87/15/88/668871588.db2.gz	HNWCGXLWDGXOKI-UHFFFAOYSA-N	-1	0	303.384	0.144	20	30		DCEDRM
CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776137393	668871597	/nfs/dbraw/zinc/87/15/97/668871597.db2.gz	DCETZSJSEFEBNV-UHFFFAOYSA-N	-1	0	317.411	0.677	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1	ZINC000776144403	668871846	/nfs/dbraw/zinc/87/18/46/668871846.db2.gz	NVKYEMSOQAQNSF-UHFFFAOYSA-N	-1	0	309.347	0.395	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1-n1cc(C)cn1	ZINC000778692911	668902826	/nfs/dbraw/zinc/90/28/26/668902826.db2.gz	NKZVCSWZTMOVRR-UHFFFAOYSA-N	-1	0	323.378	0.468	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@H]1CSCCS1	ZINC000780475428	668988882	/nfs/dbraw/zinc/98/88/82/668988882.db2.gz	HOTBRYALLFKULN-MRVPVSSYSA-N	-1	0	308.450	0.831	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000781502992	669047203	/nfs/dbraw/zinc/04/72/03/669047203.db2.gz	GVPOOGBNXCNRRD-GFCCVEGCSA-N	-1	0	324.358	0.562	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)cc1	ZINC000781505316	669047361	/nfs/dbraw/zinc/04/73/61/669047361.db2.gz	ZIOFYIIICVYIQY-CYBMUJFWSA-N	-1	0	308.359	0.726	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000783123888	669144005	/nfs/dbraw/zinc/14/40/05/669144005.db2.gz	JYXNBGFSTCWHER-WCQYABFASA-N	-1	0	305.396	0.840	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@H]1CCCOC1)cc2=O	ZINC000783436499	669157620	/nfs/dbraw/zinc/15/76/20/669157620.db2.gz	HTGCLNOOPLEHQQ-VIFPVBQESA-N	-1	0	302.290	0.776	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@@H]1CCCOC1)cc2=O	ZINC000783436496	669158021	/nfs/dbraw/zinc/15/80/21/669158021.db2.gz	HTGCLNOOPLEHQQ-SECBINFHSA-N	-1	0	302.290	0.776	20	30		DCEDRM
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000880830390	669272162	/nfs/dbraw/zinc/27/21/62/669272162.db2.gz	LQKYZQHTSSYWEH-NZBQSGDWSA-N	-1	0	314.345	0.496	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2NC(=O)O[C@@H]2C)n1	ZINC000786066039	669289953	/nfs/dbraw/zinc/28/99/53/669289953.db2.gz	CEUNGSHBMFTGOM-MRTMQBJTSA-N	-1	0	323.330	0.668	20	30		DCEDRM
COc1nc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc(=O)[n-]1	ZINC000787799836	669402643	/nfs/dbraw/zinc/40/26/43/669402643.db2.gz	ZYWOKOKSJKHGSX-MRVPVSSYSA-N	-1	0	320.305	0.299	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000787934264	669413244	/nfs/dbraw/zinc/41/32/44/669413244.db2.gz	LWTXROGURNHEII-JTQLQIEISA-N	-1	0	314.294	0.408	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccccc1S(C)(=O)=O	ZINC000788203586	669422429	/nfs/dbraw/zinc/42/24/29/669422429.db2.gz	SPLFVADSPDSSED-UHFFFAOYSA-N	-1	0	317.388	0.265	20	30		DCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)C1(COC)CC1	ZINC000882679668	669568444	/nfs/dbraw/zinc/56/84/44/669568444.db2.gz	VDYSTPNGWMFIHT-UHFFFAOYSA-N	-1	0	322.386	0.970	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CCCC2)C1	ZINC000791111477	669594361	/nfs/dbraw/zinc/59/43/61/669594361.db2.gz	SQPBFRKILSDZKM-NSHDSACASA-N	-1	0	312.391	0.247	20	30		DCEDRM
CC[C@@H](NN=Cc1ccc(F)c(S(N)(=O)=O)c1)C(=O)[O-]	ZINC000793057862	669699663	/nfs/dbraw/zinc/69/96/63/669699663.db2.gz	QMSFUDWPZXFKDM-SECBINFHSA-N	-1	0	303.315	0.260	20	30		DCEDRM
COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000793211291	669707964	/nfs/dbraw/zinc/70/79/64/669707964.db2.gz	AKHGTKRIRFLLTM-UHFFFAOYSA-N	-1	0	323.330	0.232	20	30		DCEDRM
C#Cc1ccc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)nc1	ZINC000793940127	669757438	/nfs/dbraw/zinc/75/74/38/669757438.db2.gz	VLEGWDPTGRMCKA-UHFFFAOYSA-N	-1	0	306.285	0.997	20	30		DCEDRM
CN(C)Cc1cnc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)s1	ZINC000794698668	669859989	/nfs/dbraw/zinc/85/99/89/669859989.db2.gz	AWZVACFTDWGKIY-PLNGDYQASA-N	-1	0	320.374	0.900	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2cncnc2)cc1	ZINC000796699909	669939360	/nfs/dbraw/zinc/93/93/60/669939360.db2.gz	PBDHWOVBKRBHSE-UHFFFAOYSA-N	-1	0	316.342	0.786	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2ccnc(C#N)c2)cn1	ZINC000796752726	669941227	/nfs/dbraw/zinc/94/12/27/669941227.db2.gz	VXIOILOMRNDTDK-UHFFFAOYSA-N	-1	0	305.319	0.288	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(CC(F)(F)F)C1	ZINC000796794081	669942872	/nfs/dbraw/zinc/94/28/72/669942872.db2.gz	WZHUBRZTPYILDK-MRVPVSSYSA-N	-1	0	300.302	0.503	20	30		DCEDRM
COc1c(S(=O)(=O)[N-]C(=O)c2ccc(C#N)o2)c(C)nn1C	ZINC000797118717	669956415	/nfs/dbraw/zinc/95/64/15/669956415.db2.gz	OWKKLODZBZYUBC-UHFFFAOYSA-N	-1	0	324.318	0.321	20	30		DCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)CCC(F)(F)F)ccn1	ZINC000797264771	669961428	/nfs/dbraw/zinc/96/14/28/669961428.db2.gz	SRONULHICAHIRN-UHFFFAOYSA-N	-1	0	307.253	0.965	20	30		DCEDRM
COCc1ncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)s1	ZINC000797274028	669962291	/nfs/dbraw/zinc/96/22/91/669962291.db2.gz	BSMMGVHVDYOMQI-UHFFFAOYSA-N	-1	0	315.376	0.653	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000797970659	669982716	/nfs/dbraw/zinc/98/27/16/669982716.db2.gz	CXPDYXYEHQEYSH-UHFFFAOYSA-N	-1	0	313.360	0.699	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(C(=O)N(C)CC)c1	ZINC000798203456	669992145	/nfs/dbraw/zinc/99/21/45/669992145.db2.gz	ZTSZEJKNQISBSV-UHFFFAOYSA-N	-1	0	322.386	0.861	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000798202661	669992188	/nfs/dbraw/zinc/99/21/88/669992188.db2.gz	JGLANBYHKVOUNV-NSHDSACASA-N	-1	0	324.358	0.097	20	30		DCEDRM
CN1C(=O)CN([N-]C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1=O	ZINC000798987881	670032510	/nfs/dbraw/zinc/03/25/10/670032510.db2.gz	KBAJYVUVITTZST-UHFFFAOYSA-N	-1	0	324.300	0.283	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000799078249	670037903	/nfs/dbraw/zinc/03/79/03/670037903.db2.gz	BWBRLGWTZBHZHH-VIFPVBQESA-N	-1	0	316.317	0.249	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000799085332	670039145	/nfs/dbraw/zinc/03/91/45/670039145.db2.gz	PALOGGVLMBUPIE-NSHDSACASA-N	-1	0	310.375	0.562	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1csc(S(C)(=O)=O)c1	ZINC000799244313	670049957	/nfs/dbraw/zinc/04/99/57/670049957.db2.gz	MIOYOBFFDXCKQH-UHFFFAOYSA-N	-1	0	303.361	0.864	20	30		DCEDRM
CC[S@@](=O)CC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000803473449	670249954	/nfs/dbraw/zinc/24/99/54/670249954.db2.gz	SCXQYKZWHVSTGE-OAQYLSRUSA-N	-1	0	308.319	0.118	20	30		DCEDRM
CC[S@@](=O)CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000803476457	670250502	/nfs/dbraw/zinc/25/05/02/670250502.db2.gz	XNPLABLLMFWRQJ-GSDQLPOLSA-N	-1	0	314.388	0.940	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)c1[O-]	ZINC000949424758	670339297	/nfs/dbraw/zinc/33/92/97/670339297.db2.gz	DORWODMHJQSTIY-LLVKDONJSA-N	-1	0	302.334	0.168	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cn2cc(Cl)cn2)CCC1	ZINC000808999512	670435001	/nfs/dbraw/zinc/43/50/01/670435001.db2.gz	DSTKZRREGKNXGN-UHFFFAOYSA-N	-1	0	316.770	0.676	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)n(C)c2c1	ZINC000810773954	670496936	/nfs/dbraw/zinc/49/69/36/670496936.db2.gz	QAVFGNLCGUKVHX-UHFFFAOYSA-N	-1	0	307.331	0.362	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)(C)C	ZINC000810775707	670497139	/nfs/dbraw/zinc/49/71/39/670497139.db2.gz	QMHXKDCNMZRBFZ-LLVKDONJSA-N	-1	0	314.407	0.493	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCOc1ccc(OC)cc1	ZINC000810776093	670497216	/nfs/dbraw/zinc/49/72/16/670497216.db2.gz	FVGFPAWXWKNYGE-UHFFFAOYSA-N	-1	0	311.359	0.933	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cn1nc(C(F)(F)F)cc1C	ZINC000810777624	670497237	/nfs/dbraw/zinc/49/72/37/670497237.db2.gz	KTAADOOJOBMOCS-UHFFFAOYSA-N	-1	0	323.296	0.680	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ncn(-c2ccccc2)n1	ZINC000810775485	670497257	/nfs/dbraw/zinc/49/72/57/670497257.db2.gz	ICFYPZPHEOXBLH-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CN(CC)C(=O)OC(C)(C)C	ZINC000810778494	670497394	/nfs/dbraw/zinc/49/73/94/670497394.db2.gz	AUFCALDMPDUFHN-UHFFFAOYSA-N	-1	0	318.395	0.713	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nc(-c2cnn(C)c2)oc1C	ZINC000810778340	670497598	/nfs/dbraw/zinc/49/75/98/670497598.db2.gz	UNTLXLMRGHXGKM-UHFFFAOYSA-N	-1	0	322.346	0.466	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2N1C(C)=O	ZINC000810783776	670497971	/nfs/dbraw/zinc/49/79/71/670497971.db2.gz	DVIYVYICZXBLRW-AWEZNQCLSA-N	-1	0	320.370	0.434	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)NC(=O)c1ccccc1	ZINC000810784050	670498022	/nfs/dbraw/zinc/49/80/22/670498022.db2.gz	PVZICLLVIFRAOE-GFCCVEGCSA-N	-1	0	322.386	0.664	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc2c1oc(=O)n2C	ZINC000810784339	670498061	/nfs/dbraw/zinc/49/80/61/670498061.db2.gz	AXNLBFWKIUOGGW-UHFFFAOYSA-N	-1	0	308.315	0.214	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccs1	ZINC000810783705	670498087	/nfs/dbraw/zinc/49/80/87/670498087.db2.gz	ARHJDTDRWCHJMM-UHFFFAOYSA-N	-1	0	314.388	0.337	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1=NN(CC(C)C)C(=O)CC1	ZINC000810785965	670498111	/nfs/dbraw/zinc/49/81/11/670498111.db2.gz	VIKJDKIVVBVKDT-UHFFFAOYSA-N	-1	0	313.379	0.090	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000810832920	670499320	/nfs/dbraw/zinc/49/93/20/670499320.db2.gz	WBNZHXVKXUNLRU-QMMMGPOBSA-N	-1	0	303.340	0.351	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC(=O)[N-]OCC(F)F)cc1	ZINC000811054004	670504790	/nfs/dbraw/zinc/50/47/90/670504790.db2.gz	VHXFHBBIDZMNAB-UHFFFAOYSA-N	-1	0	319.289	0.149	20	30		DCEDRM
CN(C)c1cnc(C([O-])=C(C#N)C(=O)NC2CCCC2)cn1	ZINC000847625680	670582749	/nfs/dbraw/zinc/58/27/49/670582749.db2.gz	RJLDJLDHLMOGIT-NSHDSACASA-N	-1	0	301.350	0.924	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	ZINC000812450075	670582931	/nfs/dbraw/zinc/58/29/31/670582931.db2.gz	XCKGHMLBPOOXJR-SNVBAGLBSA-N	-1	0	319.379	0.669	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000847643677	670585217	/nfs/dbraw/zinc/58/52/17/670585217.db2.gz	FTKNBONFEBVHHL-JTQLQIEISA-N	-1	0	324.358	0.356	20	30		DCEDRM
C[C@@](O)(C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1)C1CCC1	ZINC000812674073	670591310	/nfs/dbraw/zinc/59/13/10/670591310.db2.gz	SDGDIGKRFHMYDR-HNNXBMFYSA-N	-1	0	316.317	0.901	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1	ZINC000812786497	670595911	/nfs/dbraw/zinc/59/59/11/670595911.db2.gz	LWKBVKPVRXWQEV-ZFWWWQNUSA-N	-1	0	302.330	0.896	20	30		DCEDRM
O=C(C/N=C1/NS(=O)(=O)c2ccccc21)[N-]OC1CCC1	ZINC000812791094	670596719	/nfs/dbraw/zinc/59/67/19/670596719.db2.gz	HRFHJBNPRMLZKV-UHFFFAOYSA-N	-1	0	309.347	0.325	20	30		DCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)cnn1C	ZINC000813957263	670666472	/nfs/dbraw/zinc/66/64/72/670666472.db2.gz	YAFSTEDOPXEMLN-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
COC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000814232510	670681772	/nfs/dbraw/zinc/68/17/72/670681772.db2.gz	ZNHBOTIADDRFIB-QMMMGPOBSA-N	-1	0	306.278	0.512	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cn(-c2ccc(F)cc2Cl)nn1	ZINC000814232969	670682114	/nfs/dbraw/zinc/68/21/14/670682114.db2.gz	UQMMELHRVCAFMW-UHFFFAOYSA-N	-1	0	323.675	0.945	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](C)C(=O)[O-])n1	ZINC000848586727	670698541	/nfs/dbraw/zinc/69/85/41/670698541.db2.gz	CQUFIOGKBFSUJK-GFCCVEGCSA-N	-1	0	322.365	0.395	20	30		DCEDRM
CC(=NNCC(=O)[O-])c1cccc(N2CCCS2(=O)=O)c1	ZINC000814960246	670710087	/nfs/dbraw/zinc/71/00/87/670710087.db2.gz	IVXSVIXLQWXMJG-UHFFFAOYSA-N	-1	0	311.363	0.625	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC	ZINC000849218986	670765685	/nfs/dbraw/zinc/76/56/85/670765685.db2.gz	DJQJLQSSYKFFKO-WDEREUQCSA-N	-1	0	317.363	0.068	20	30		DCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)n1	ZINC000815905050	670771694	/nfs/dbraw/zinc/77/16/94/670771694.db2.gz	YKCRCWNJPMDQMB-LLVKDONJSA-N	-1	0	307.354	0.552	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000815920272	670772198	/nfs/dbraw/zinc/77/21/98/670772198.db2.gz	DTQUOXNIEXJYNS-UHFFFAOYSA-N	-1	0	308.363	0.722	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC	ZINC000816032120	670781462	/nfs/dbraw/zinc/78/14/62/670781462.db2.gz	UBCZCYDZRXILFS-UHFFFAOYSA-N	-1	0	323.321	0.753	20	30		DCEDRM
C=CCc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc(OC)c1OC	ZINC000816731714	670850909	/nfs/dbraw/zinc/85/09/09/670850909.db2.gz	BSKUDLMSLFUXCN-UHFFFAOYSA-N	-1	0	320.305	0.819	20	30		DCEDRM
CCOCCn1cc(C(=O)[N-]S(=O)(=O)CCCC#N)cn1	ZINC000857015778	670874560	/nfs/dbraw/zinc/87/45/60/670874560.db2.gz	BJVYXVLORWMEAD-UHFFFAOYSA-N	-1	0	314.367	0.283	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)N2CCCCC2)CCOCC1	ZINC000850790234	670940821	/nfs/dbraw/zinc/94/08/21/670940821.db2.gz	YCLTVVQZKKZGGI-UHFFFAOYSA-N	-1	0	315.395	0.544	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(c2cccc(S(N)(=O)=O)c2C#N)C1	ZINC000817864752	670949528	/nfs/dbraw/zinc/94/95/28/670949528.db2.gz	DDPMJKAULKGPQC-UWVGGRQHSA-N	-1	0	323.374	0.753	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)CC(F)(F)F)CCOCC1	ZINC000850863372	670950524	/nfs/dbraw/zinc/95/05/24/670950524.db2.gz	QXSZDLLPTCJADK-UHFFFAOYSA-N	-1	0	314.285	0.705	20	30		DCEDRM
N#CCOc1ccc(CC(=O)[N-]S(=O)(=O)CC(F)F)cc1	ZINC000851361303	670980831	/nfs/dbraw/zinc/98/08/31/670980831.db2.gz	NTTQZCXGKGVUFP-UHFFFAOYSA-N	-1	0	318.301	0.843	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)NCC(CC)(CC)C(=O)[O-])[C@@H]1CCCO1	ZINC000818657954	671042227	/nfs/dbraw/zinc/04/22/27/671042227.db2.gz	NCYATTLJYQUVBG-NEPJUHHUSA-N	-1	0	324.377	0.291	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)[N-]S(C)(=O)=O	ZINC000819934088	671148088	/nfs/dbraw/zinc/14/80/88/671148088.db2.gz	CGKDMLJUUNGYMH-SECBINFHSA-N	-1	0	319.383	0.649	20	30		DCEDRM
CC(C)C(=O)NC1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819955324	671149105	/nfs/dbraw/zinc/14/91/05/671149105.db2.gz	SQCPDJNMILPKIY-HNNXBMFYSA-N	-1	0	309.366	0.754	20	30		DCEDRM
O=C(Cc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1CCN(O)C1=O	ZINC000820148846	671171766	/nfs/dbraw/zinc/17/17/66/671171766.db2.gz	JVJKUQBRMOSLJS-CYBMUJFWSA-N	-1	0	317.345	0.684	20	30		DCEDRM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000852952154	671199097	/nfs/dbraw/zinc/19/90/97/671199097.db2.gz	VULGWNPFHGMYSM-IMTQZCPYSA-N	-1	0	323.349	0.376	20	30		DCEDRM
Cc1oc(S(C)(=O)=O)cc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC000860472991	671211829	/nfs/dbraw/zinc/21/18/29/671211829.db2.gz	RGINBKNMFQYRIK-JTQLQIEISA-N	-1	0	312.347	0.839	20	30		DCEDRM
COC1CC(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)C1	ZINC000860515187	671215022	/nfs/dbraw/zinc/21/50/22/671215022.db2.gz	MXPRFRJXCJZQHK-UHFFFAOYSA-N	-1	0	308.359	0.929	20	30		DCEDRM
COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1)OC	ZINC000853200814	671217297	/nfs/dbraw/zinc/21/72/97/671217297.db2.gz	RBQJFSLHWILUOT-LBPRGKRZSA-N	-1	0	312.347	0.279	20	30		DCEDRM
COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C)OC	ZINC000853208701	671219850	/nfs/dbraw/zinc/21/98/50/671219850.db2.gz	WQIPKUBUZSOWFM-SNVBAGLBSA-N	-1	0	316.335	0.181	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)N(C)C(=O)CO2	ZINC000860720863	671232552	/nfs/dbraw/zinc/23/25/52/671232552.db2.gz	PYPQUYFSKNTEIS-UHFFFAOYSA-N	-1	0	322.342	0.125	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1COc2cc(F)ccc2C1	ZINC000860721999	671233681	/nfs/dbraw/zinc/23/36/81/671233681.db2.gz	PYKSDNGKZSZMKM-LLVKDONJSA-N	-1	0	311.334	0.846	20	30		DCEDRM
CCO[C@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CC1	ZINC000860785339	671238197	/nfs/dbraw/zinc/23/81/97/671238197.db2.gz	USCREPWSWUOPPR-LBPRGKRZSA-N	-1	0	309.347	0.573	20	30		DCEDRM
Cc1cccc(/C=C/C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)c1	ZINC000821012803	671246090	/nfs/dbraw/zinc/24/60/90/671246090.db2.gz	ONFMTZSWBFKYAS-BQYQJAHWSA-N	-1	0	300.314	0.994	20	30		DCEDRM
CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)COC1	ZINC000861014241	671259598	/nfs/dbraw/zinc/25/95/98/671259598.db2.gz	FRRQSICNZOYWOG-UHFFFAOYSA-N	-1	0	312.322	0.680	20	30		DCEDRM
N#Cc1ccccc1/C=C\C(=O)OCc1cn(CC(=O)[O-])nn1	ZINC000821340590	671272405	/nfs/dbraw/zinc/27/24/05/671272405.db2.gz	PHWWQSQLUVCLDP-WAYWQWQTSA-N	-1	0	312.285	0.991	20	30		DCEDRM
C=C(C)COCCNC(=O)Cc1noc(C)c1-c1nn[nH]n1	ZINC000823878366	671411733	/nfs/dbraw/zinc/41/17/33/671411733.db2.gz	WRZOHMWVMGAMCZ-UHFFFAOYSA-N	-1	0	306.326	0.415	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](CC(=O)NOCC#C)c1ccc(C)cc1	ZINC000825137321	671450682	/nfs/dbraw/zinc/45/06/82/671450682.db2.gz	MWGVPHLBOIPNMQ-HNNXBMFYSA-N	-1	0	314.341	0.831	20	30		DCEDRM
Cc1cccc(CNC(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)c1	ZINC000826298439	671483331	/nfs/dbraw/zinc/48/33/31/671483331.db2.gz	SERXQSVYKVXVAT-UHFFFAOYSA-N	-1	0	322.332	0.560	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)CC1CN(C(=O)[O-])C1	ZINC000827019880	671510963	/nfs/dbraw/zinc/51/09/63/671510963.db2.gz	GQITVUWURCBTQQ-SNVBAGLBSA-N	-1	0	311.338	0.538	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@@H]3CSC[C@H]3C2)c(=O)[n-]c1=O	ZINC000827093576	671514215	/nfs/dbraw/zinc/51/42/15/671514215.db2.gz	INRGORSPKBYGRS-MWLCHTKSSA-N	-1	0	320.374	0.032	20	30		DCEDRM
COC[C@](C)(NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000831589890	671675912	/nfs/dbraw/zinc/67/59/12/671675912.db2.gz	AQRZDDQZQXBIQP-HNNXBMFYSA-N	-1	0	305.286	0.373	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)CCCC(F)(F)F	ZINC000835263717	671791916	/nfs/dbraw/zinc/79/19/16/671791916.db2.gz	XKGVVZRNUUDTOI-MRVPVSSYSA-N	-1	0	301.286	0.813	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1OCC	ZINC000835272249	671792340	/nfs/dbraw/zinc/79/23/40/671792340.db2.gz	MKODEHFAKOFOAQ-LLVKDONJSA-N	-1	0	311.359	0.929	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C(F)(F)F)nn1C	ZINC000835372921	671794593	/nfs/dbraw/zinc/79/45/93/671794593.db2.gz	ZWQWWYHJONIMDV-UHFFFAOYSA-N	-1	0	309.269	0.522	20	30		DCEDRM
C#C[C@@H]([N-]S(=O)(=O)N=S(=O)(CC)CC)[C@@H]1CCCO1	ZINC000867125955	671797893	/nfs/dbraw/zinc/79/78/93/671797893.db2.gz	RBIADDWULIRHPK-MNOVXSKESA-N	-1	0	308.425	0.509	20	30		DCEDRM
C=CCO[N-]C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O	ZINC000837043828	671843310	/nfs/dbraw/zinc/84/33/10/671843310.db2.gz	TUZFEFMIXAXJRO-MRXNPFEDSA-N	-1	0	317.345	0.996	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1	ZINC000842336273	672006166	/nfs/dbraw/zinc/00/61/66/672006166.db2.gz	GKCYFRGKEHXRAQ-NXEZZACHSA-N	-1	0	315.351	0.572	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn2c1C[C@H](C)CC2	ZINC000842682095	672028146	/nfs/dbraw/zinc/02/81/46/672028146.db2.gz	ZAIJZRZHJMQATJ-VXGBXAGGSA-N	-1	0	318.377	0.941	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C1(OC)CC1	ZINC000842765050	672035411	/nfs/dbraw/zinc/03/54/11/672035411.db2.gz	UCKAUKQBOBCQGA-UHFFFAOYSA-N	-1	0	310.331	0.551	20	30		DCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@](O)(CC#N)C1	ZINC000844015793	672137701	/nfs/dbraw/zinc/13/77/01/672137701.db2.gz	OBQHWZARKGORSO-CABZTGNLSA-N	-1	0	321.299	0.567	20	30		DCEDRM
CCCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000844086605	672146888	/nfs/dbraw/zinc/14/68/88/672146888.db2.gz	USKNTQSDVFDVKE-JTQLQIEISA-N	-1	0	311.363	0.683	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)CCOCC2CC2)CC1	ZINC000844814600	672204557	/nfs/dbraw/zinc/20/45/57/672204557.db2.gz	JOAYGBIRHVIQEH-UHFFFAOYSA-N	-1	0	315.391	0.543	20	30		DCEDRM
Cc1noc(C)c1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844821048	672205057	/nfs/dbraw/zinc/20/50/57/672205057.db2.gz	JGLGXQGQPVMQNW-UHFFFAOYSA-N	-1	0	312.347	0.780	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)c2cncc(F)c2)CC1	ZINC000844819616	672205135	/nfs/dbraw/zinc/20/51/35/672205135.db2.gz	VZFAQDYRPSRCPQ-UHFFFAOYSA-N	-1	0	312.322	0.709	20	30		DCEDRM
Cc1nc(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)cn1C	ZINC000844821731	672205239	/nfs/dbraw/zinc/20/52/39/672205239.db2.gz	QFWWPNMSFZEJDD-UHFFFAOYSA-N	-1	0	311.363	0.217	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)CC1(OC)CCCC1)C(=O)OC	ZINC000867388420	672262540	/nfs/dbraw/zinc/26/25/40/672262540.db2.gz	MHFILWQXEMXHAP-LLVKDONJSA-N	-1	0	303.380	0.430	20	30		DCEDRM
C#CCOCCNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000846124209	672294873	/nfs/dbraw/zinc/29/48/73/672294873.db2.gz	DJIHUCOTDKWBNF-MRXNPFEDSA-N	-1	0	304.346	0.978	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C	ZINC000846147932	672297536	/nfs/dbraw/zinc/29/75/36/672297536.db2.gz	YISFJCSMRMDDKU-LLVKDONJSA-N	-1	0	322.365	0.877	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OCC(=O)OC)cc1	ZINC000846151320	672297617	/nfs/dbraw/zinc/29/76/17/672297617.db2.gz	ZYBIOVLTHUMQJJ-UHFFFAOYSA-N	-1	0	322.317	0.801	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2	ZINC000846155779	672297850	/nfs/dbraw/zinc/29/78/50/672297850.db2.gz	WMCAZQFYYJLXNN-VIFPVBQESA-N	-1	0	324.358	0.577	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(C(=O)NCC)c1	ZINC000846152197	672297950	/nfs/dbraw/zinc/29/79/50/672297950.db2.gz	QDKOIDLKOVCNSR-JTQLQIEISA-N	-1	0	305.334	0.997	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000846498009	672319278	/nfs/dbraw/zinc/31/92/78/672319278.db2.gz	FHNZSWHHGJVYSI-UHFFFAOYSA-N	-1	0	320.349	0.392	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CC)Nc1nnnn1-c1ccccc1	ZINC000846545095	672326790	/nfs/dbraw/zinc/32/67/90/672326790.db2.gz	MADFFFAWPZGWGN-YPMHNXCESA-N	-1	0	316.365	0.897	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc3nccnc3c2)CC1	ZINC000793198068	685343626	/nfs/dbraw/zinc/34/36/26/685343626.db2.gz	UYWQZEGUVAJXHA-UHFFFAOYSA-N	-1	0	316.342	0.993	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C(F)(F)C2CCOCC2)CC1	ZINC000793196728	685343783	/nfs/dbraw/zinc/34/37/83/685343783.db2.gz	LVXZDZSMPZTITH-UHFFFAOYSA-N	-1	0	322.333	0.798	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)Cc1noc2ccccc12)C(=O)OC	ZINC000841541899	685365247	/nfs/dbraw/zinc/36/52/47/685365247.db2.gz	YPSCEGMJIWXKIK-NSHDSACASA-N	-1	0	322.342	0.812	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)[C@@H]1CCOC1	ZINC000850930894	685370916	/nfs/dbraw/zinc/37/09/16/685370916.db2.gz	ZJLNXXLGBIPJEL-ZJUUUORDSA-N	-1	0	304.368	0.034	20	30		DCEDRM
Cn1ncc(Cl)c1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000850930821	685370887	/nfs/dbraw/zinc/37/08/87/685370887.db2.gz	XSKFKJXCROXTFR-UHFFFAOYSA-N	-1	0	304.759	0.683	20	30		DCEDRM
O=C([N-]S(=O)(=O)N1CCCC1)c1ncn(-c2ccccc2)n1	ZINC000091828986	685106397	/nfs/dbraw/zinc/10/63/97/685106397.db2.gz	AGDDRHHZIVJUTC-UHFFFAOYSA-N	-1	0	321.362	0.913	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1	ZINC000176400331	685145275	/nfs/dbraw/zinc/14/52/75/685145275.db2.gz	GZWOARLAJKUQOJ-UHFFFAOYSA-N	-1	0	314.257	0.972	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1	ZINC000180201996	685151511	/nfs/dbraw/zinc/15/15/11/685151511.db2.gz	FHBCYZJPEGFMBN-UHFFFAOYSA-N	-1	0	315.395	0.999	20	30		DCEDRM
Cn1cccc1S(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC001771779267	1158768216	/nfs/dbraw/zinc/76/82/16/1158768216.db2.gz	OTJUPMDEFKEKAC-UHFFFAOYSA-N	-1	0	311.363	0.540	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(C(=O)C#CC3CC3)C2)c1[O-]	ZINC000956829363	686873201	/nfs/dbraw/zinc/87/32/01/686873201.db2.gz	YXBRMUQCXYUNLM-INIZCTEOSA-N	-1	0	316.361	0.558	20	30		DCEDRM
CC#CCN1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC000957315091	687026883	/nfs/dbraw/zinc/02/68/83/687026883.db2.gz	XBBANBHXRORVJF-UHFFFAOYSA-N	-1	0	300.318	0.710	20	30		DCEDRM
C=CCCC(=O)NCC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O	ZINC001075888068	694983682	/nfs/dbraw/zinc/98/36/82/694983682.db2.gz	RKUMZCCMSDFOQD-JTQLQIEISA-N	-1	0	322.365	0.077	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001687211377	1157507871	/nfs/dbraw/zinc/50/78/71/1157507871.db2.gz	FXDXMYJPLMIGTL-GFCCVEGCSA-N	-1	0	318.377	0.756	20	30		DCEDRM
C#CCOCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001571767120	1162929413	/nfs/dbraw/zinc/92/94/13/1162929413.db2.gz	USKBMQVBPMIPBV-NXEZZACHSA-N	-1	0	322.365	0.087	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001567851957	1160501312	/nfs/dbraw/zinc/50/13/12/1160501312.db2.gz	NTXUAVYUGLSTEL-WOPDTQHZSA-N	-1	0	321.381	0.277	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](CNC(=O)C#CC(C)C)C2)c1[O-]	ZINC001573140338	1163393770	/nfs/dbraw/zinc/39/37/70/1163393770.db2.gz	SMZNSURVKOGOKA-TXEJJXNPSA-N	-1	0	318.377	0.708	20	30		DCEDRM
CC#CCCCC(=O)N1CC[C@@H](NC(=O)CNC(=O)[O-])C[C@@H]1C	ZINC001573384133	1163420835	/nfs/dbraw/zinc/42/08/35/1163420835.db2.gz	DDHIZRMLECDJOB-QWHCGFSZSA-N	-1	0	323.393	0.943	20	30		DCEDRM
CC(C)(CC(=O)[O-])CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC001573476747	1163445801	/nfs/dbraw/zinc/44/58/01/1163445801.db2.gz	MQKXRZWEOFEGRP-GXFFZTMASA-N	-1	0	300.380	0.357	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC#N)c1ccccc1)C(=O)[O-]	ZINC001573552226	1163491910	/nfs/dbraw/zinc/49/19/10/1163491910.db2.gz	FHKMEMDJVFASLS-GMXVVIOVSA-N	-1	0	317.345	0.778	20	30		DCEDRM
CCC[C@@H](C(=O)[O-])S(=O)(=O)NCC1(C#N)CCOCC1	ZINC001573724611	1163541429	/nfs/dbraw/zinc/54/14/29/1163541429.db2.gz	NUOAAFFAOVNGAG-JTQLQIEISA-N	-1	0	304.368	0.479	20	30		DCEDRM
CN([C@@H]1CCC[C@@H]1C#N)S(=O)(=O)Cc1cc(C(=O)[O-])no1	ZINC001573864528	1163572415	/nfs/dbraw/zinc/57/24/15/1163572415.db2.gz	IGMZWPSBQJEACO-LDYMZIIASA-N	-1	0	313.335	0.827	20	30		DCEDRM
CN([C@H]1CCC[C@@H]1C#N)S(=O)(=O)Cc1cc(C(=O)[O-])no1	ZINC001573864526	1163572463	/nfs/dbraw/zinc/57/24/63/1163572463.db2.gz	IGMZWPSBQJEACO-KCJUWKMLSA-N	-1	0	313.335	0.827	20	30		DCEDRM
COc1cc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)ccc1C#N	ZINC001574012651	1163623801	/nfs/dbraw/zinc/62/38/01/1163623801.db2.gz	NZSMVNRHFWQJDH-NEPJUHHUSA-N	-1	0	319.317	0.267	20	30		DCEDRM
CSC[C@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC001574096373	1163633893	/nfs/dbraw/zinc/63/38/93/1163633893.db2.gz	IUOLOIGCJOUJRA-QMMMGPOBSA-N	-1	0	301.349	0.048	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)Nc2ncc(CC(=O)[O-])s2)C1	ZINC001574240988	1163672442	/nfs/dbraw/zinc/67/24/42/1163672442.db2.gz	CYRMZWKUJMTXAJ-GFCCVEGCSA-N	-1	0	310.335	0.653	20	30		DCEDRM
N#Cc1ccccc1N1CCC(NC(=O)[C@@H](O)CC(=O)[O-])CC1	ZINC001574249010	1163674300	/nfs/dbraw/zinc/67/43/00/1163674300.db2.gz	PMLYZQOMCVUCAD-AWEZNQCLSA-N	-1	0	317.345	0.479	20	30		DCEDRM
CC#CCCCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001576149192	1164252366	/nfs/dbraw/zinc/25/23/66/1164252366.db2.gz	SFZSIGYIEVWVDX-GFCCVEGCSA-N	-1	0	318.377	0.948	20	30		DCEDRM
CCc1cccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1O	ZINC001578531159	1165046585	/nfs/dbraw/zinc/04/65/85/1165046585.db2.gz	IJFSHPZPIMINMJ-UHFFFAOYSA-N	-1	0	324.304	0.982	20	30		DCEDRM
CO[C@@H]1[C@H](C)[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1(C)C	ZINC001579602849	1165356748	/nfs/dbraw/zinc/35/67/48/1165356748.db2.gz	WOJJTCLFIREVEH-VSYUYLJXSA-N	-1	0	314.353	1.000	20	30		DCEDRM
CO[C@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)[C@@H](C)C1	ZINC001579619391	1165361406	/nfs/dbraw/zinc/36/14/06/1165361406.db2.gz	RBILQYBNVSPZHZ-IUCAKERBSA-N	-1	0	300.326	0.532	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H]2CNC(=O)C#CC2CC2)c1[O-]	ZINC001581248760	1165804455	/nfs/dbraw/zinc/80/44/55/1165804455.db2.gz	HBEOWBQKTHZNKL-LBPRGKRZSA-N	-1	0	316.361	0.558	20	30		DCEDRM
Cc1nsc(N(C)CCNC(=O)[C@H](C)C#N)c1-c1nn[nH]n1	ZINC001581664264	1165856097	/nfs/dbraw/zinc/85/60/97/1165856097.db2.gz	QZSFGGDMNRAJRE-SSDOTTSWSA-N	-1	0	320.382	0.344	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[nH]n3)c2)CCO1	ZINC001581857051	1165889247	/nfs/dbraw/zinc/88/92/47/1165889247.db2.gz	OASHBBOGUXTUAA-HZSPNIEDSA-N	-1	0	324.344	0.721	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)CC[C@@H]1CCCCO1	ZINC001581860645	1165892137	/nfs/dbraw/zinc/89/21/37/1165892137.db2.gz	LQWJTEZPJIGFGG-NSHDSACASA-N	-1	0	315.337	0.853	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1C[C@H]1CCC[C@@]2(CCOC2)O1	ZINC001581860669	1165892406	/nfs/dbraw/zinc/89/24/06/1165892406.db2.gz	MNPHYWIFPIXOIB-YGRLFVJLSA-N	-1	0	315.337	0.663	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1C[C@@H]1CCC[C@]2(CCOC2)O1	ZINC001581860667	1165892813	/nfs/dbraw/zinc/89/28/13/1165892813.db2.gz	MNPHYWIFPIXOIB-IINYFYTJSA-N	-1	0	315.337	0.663	20	30		DCEDRM
N#Cc1ccccc1OCCn1cnc(-c2nnn[n-]2)cc1=O	ZINC001581876240	1165896187	/nfs/dbraw/zinc/89/61/87/1165896187.db2.gz	KSYGCCQFFZJGRJ-UHFFFAOYSA-N	-1	0	309.289	0.374	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001582758860	1166075224	/nfs/dbraw/zinc/07/52/24/1166075224.db2.gz	LAOPCWSVSOFNHV-GFCCVEGCSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)N1CCc2ccc(C(=O)[O-])nc2C1	ZINC001588395533	1166548330	/nfs/dbraw/zinc/54/83/30/1166548330.db2.gz	RWHFWCRQAUQVNN-GFCCVEGCSA-N	-1	0	317.345	0.886	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C)C(=O)[O-]	ZINC001588414285	1166551284	/nfs/dbraw/zinc/55/12/84/1166551284.db2.gz	KJSBOKWTPUIANF-KOLCDFICSA-N	-1	0	315.329	0.670	20	30		DCEDRM
C=C[C@H](CO)NC(=O)C(C)(C)c1ccc(-c2nn[nH]n2)cc1	ZINC001588727489	1166580571	/nfs/dbraw/zinc/58/05/71/1166580571.db2.gz	BTRPYNAFJCSWMO-GFCCVEGCSA-N	-1	0	301.350	0.807	20	30		DCEDRM
C[C@H](C(=O)OCCC(C)(C)C#N)n1cnc(-c2nnn[n-]2)n1	ZINC001589027320	1166631976	/nfs/dbraw/zinc/63/19/76/1166631976.db2.gz	NDEYFIMAPRSFTN-MRVPVSSYSA-N	-1	0	304.314	0.502	20	30		DCEDRM
C[C@@H](Cc1ccncc1)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589901674	1166713252	/nfs/dbraw/zinc/71/32/52/1166713252.db2.gz	CCNVQRJZYJVDNA-VIFPVBQESA-N	-1	0	307.321	0.966	20	30		DCEDRM
CC(Cl)(Cl)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001589904280	1166713987	/nfs/dbraw/zinc/71/39/87/1166713987.db2.gz	KUALRKIJQGAFKI-UHFFFAOYSA-N	-1	0	301.097	0.594	20	30		DCEDRM
C[C@@]1(O)CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001590150696	1166789379	/nfs/dbraw/zinc/78/93/79/1166789379.db2.gz	MCPXCKSRLSIWTD-CYBMUJFWSA-N	-1	0	300.326	0.270	20	30		DCEDRM
C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)O1	ZINC001590189450	1166802737	/nfs/dbraw/zinc/80/27/37/1166802737.db2.gz	CRZIUZJCXXBGAT-HCVRKRLWSA-N	-1	0	302.298	0.213	20	30		DCEDRM
C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)O1	ZINC001590189451	1166803825	/nfs/dbraw/zinc/80/38/25/1166803825.db2.gz	CRZIUZJCXXBGAT-KCRUCZTKSA-N	-1	0	302.298	0.213	20	30		DCEDRM
C[C@@H]1C[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H](C)O1	ZINC001590209300	1166814708	/nfs/dbraw/zinc/81/47/08/1166814708.db2.gz	LNKWIOYKUSJWOS-AYMMMOKOSA-N	-1	0	300.326	0.896	20	30		DCEDRM
C[C@H]1CC2(CC(Nc3cnc(C#N)c(-c4nnn[n-]4)n3)C2)CO1	ZINC001590224687	1166819937	/nfs/dbraw/zinc/81/99/37/1166819937.db2.gz	XWQGRCYUXGUCIY-JUXJKVCFSA-N	-1	0	312.337	0.898	20	30		DCEDRM
CCC[C@@H](C)[C@H](CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590548211	1166942366	/nfs/dbraw/zinc/94/23/66/1166942366.db2.gz	PGXGZQSSULBRMN-SCZZXKLOSA-N	-1	0	302.342	0.737	20	30		DCEDRM
COC(=O)[C@@H]1CCCC[C@@H]1Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC001591254475	1167178834	/nfs/dbraw/zinc/17/88/34/1167178834.db2.gz	IWNIJXUDYBGNKW-NXEZZACHSA-N	-1	0	315.337	0.914	20	30		DCEDRM
Cc1cnc(CCNc2cnc(C#N)c(-c3nnn[n-]3)n2)cn1	ZINC001592292628	1167484336	/nfs/dbraw/zinc/48/43/36/1167484336.db2.gz	KOENCMBVPXDEHH-UHFFFAOYSA-N	-1	0	308.309	0.281	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)c1nccs1	ZINC001592334651	1167490798	/nfs/dbraw/zinc/49/07/98/1167490798.db2.gz	CVOHTDSMNAPEDH-UHFFFAOYSA-N	-1	0	300.307	0.583	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1nc(C(C)(C)C)no1	ZINC001592335693	1167493579	/nfs/dbraw/zinc/49/35/79/1167493579.db2.gz	IETFSWORTVZQTK-UHFFFAOYSA-N	-1	0	313.325	0.972	20	30		DCEDRM
N#CCCCCS(=O)(=O)Oc1cccnc1-c1nnn[n-]1	ZINC001592676438	1167596260	/nfs/dbraw/zinc/59/62/60/1167596260.db2.gz	ORFYCBCHDHGZDB-UHFFFAOYSA-N	-1	0	308.323	0.664	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(Cl)nc2)[n-]c1-c1nn[nH]n1	ZINC001592681333	1167598888	/nfs/dbraw/zinc/59/88/88/1167598888.db2.gz	BIKRBVDYJXWZLY-UHFFFAOYSA-N	-1	0	315.684	0.762	20	30		DCEDRM
N#Cc1cccc(OCCCn2cncc(-c3nnn[n-]3)c2=O)c1	ZINC001592700521	1167605701	/nfs/dbraw/zinc/60/57/01/1167605701.db2.gz	YEZZRQFZXPDMFP-UHFFFAOYSA-N	-1	0	323.316	0.764	20	30		DCEDRM
C#Cc1cncc(C(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)c1	ZINC001597554084	1168008322	/nfs/dbraw/zinc/00/83/22/1168008322.db2.gz	IQUIMLWZADUPGL-UHFFFAOYSA-N	-1	0	312.329	0.887	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CC[C@](C)(C#N)C2)c(C(=O)[O-])[nH]1	ZINC001600244952	1168146987	/nfs/dbraw/zinc/14/69/87/1168146987.db2.gz	YFCCSJMFTOHJPU-CQSZACIVSA-N	-1	0	304.306	0.722	20	30		DCEDRM
Cc1cc(NC(=O)NC[C@@H](O)CC(=O)[O-])c(C#N)cc1N(C)C	ZINC001600266487	1168152624	/nfs/dbraw/zinc/15/26/24/1168152624.db2.gz	BBKCGYNSIZBJNE-NSHDSACASA-N	-1	0	320.349	0.890	20	30		DCEDRM
Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)C1(C#N)CCOCC1	ZINC001600779548	1168293874	/nfs/dbraw/zinc/29/38/74/1168293874.db2.gz	GWLDTXYRETWUOZ-UHFFFAOYSA-N	-1	0	320.349	0.521	20	30		DCEDRM
Cn1cc(C#N)c(=O)n(Cc2c(Cl)cccc2C(=O)[O-])c1=O	ZINC001600927448	1168510745	/nfs/dbraw/zinc/51/07/45/1168510745.db2.gz	KYUGMXVIUBPWLP-UHFFFAOYSA-N	-1	0	319.704	0.819	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1csc(Br)n1	ZINC001601071536	1168577250	/nfs/dbraw/zinc/57/72/50/1168577250.db2.gz	STDIVZXDAILKIQ-UHFFFAOYSA-N	-1	0	304.125	0.956	20	30		DCEDRM
N#CC1(C(=O)NCCn2cc(C(=O)[O-])nn2)CCSCC1	ZINC001601050640	1168577586	/nfs/dbraw/zinc/57/75/86/1168577586.db2.gz	YTHMCFXYCGIKGQ-UHFFFAOYSA-N	-1	0	309.351	0.129	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2CCCn3ncnc32)CC1	ZINC001601048681	1168577699	/nfs/dbraw/zinc/57/76/99/1168577699.db2.gz	IKWYWRZGPYRXHW-JTQLQIEISA-N	-1	0	303.322	0.372	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2COC[C@H]2C2CC2)CC1	ZINC001601051805	1168577772	/nfs/dbraw/zinc/57/77/72/1168577772.db2.gz	VNNJNWFNFLUXRN-NWDGAFQWSA-N	-1	0	307.350	0.811	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCC3(C2)OCCO3)CC1	ZINC001601051243	1168577918	/nfs/dbraw/zinc/57/79/18/1168577918.db2.gz	ICWDFEHJTNKPKU-LLVKDONJSA-N	-1	0	323.349	0.682	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])C1	ZINC001601062648	1168579584	/nfs/dbraw/zinc/57/95/84/1168579584.db2.gz	LJDOJTIHYZNFKF-UHFFFAOYSA-N	-1	0	314.294	0.173	20	30		DCEDRM
N#CCCCCNC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001601065651	1168579693	/nfs/dbraw/zinc/57/96/93/1168579693.db2.gz	LMHYSCXQNVWBOL-OAHLLOKOSA-N	-1	0	324.381	0.251	20	30		DCEDRM
N#CCC1(O)CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1	ZINC001601062239	1168579718	/nfs/dbraw/zinc/57/97/18/1168579718.db2.gz	GIDMRNXTDLPDLU-UHFFFAOYSA-N	-1	0	313.313	0.896	20	30		DCEDRM
N#CCCCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001601065193	1168579962	/nfs/dbraw/zinc/57/99/62/1168579962.db2.gz	GHYIXJKTQRZICO-UHFFFAOYSA-N	-1	0	313.291	0.875	20	30		DCEDRM
N#CCCN1CCN(C(=O)NCCSCC(=O)[O-])CC1	ZINC001601067815	1168580449	/nfs/dbraw/zinc/58/04/49/1168580449.db2.gz	NYQXNWSNFBNHHQ-UHFFFAOYSA-N	-1	0	300.384	0.045	20	30		DCEDRM
N#CCN1CCC(CNC(=O)c2csc(C(=O)[O-])n2)CC1	ZINC001601073426	1168581836	/nfs/dbraw/zinc/58/18/36/1168581836.db2.gz	UMTCMOMDIXSHKI-UHFFFAOYSA-N	-1	0	308.363	0.807	20	30		DCEDRM
N#CCSCC(=O)N[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001601076370	1168582650	/nfs/dbraw/zinc/58/26/50/1168582650.db2.gz	PWNJGHRJQCZZGY-MGCOHNPYSA-N	-1	0	321.362	0.491	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC001601077817	1168583057	/nfs/dbraw/zinc/58/30/57/1168583057.db2.gz	KUUMBOKYXMPMDZ-LBPRGKRZSA-N	-1	0	310.331	0.227	20	30		DCEDRM
N#C[C@]12CN([C@H](C(=O)[O-])c3cccnc3)C[C@H]1CS(=O)(=O)C2	ZINC001601079833	1168583181	/nfs/dbraw/zinc/58/31/81/1168583181.db2.gz	OAQHKCMZRZWRME-SGMGOOAPSA-N	-1	0	321.358	0.077	20	30		DCEDRM
N#Cc1cc(CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)ccn1	ZINC001601088527	1168583316	/nfs/dbraw/zinc/58/33/16/1168583316.db2.gz	WYXHEWNAZHDJPI-PWSUYJOCSA-N	-1	0	309.347	0.626	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CCN2C[C@H]3CC[C@@H](C2)O3)c1=O	ZINC001601087204	1168583708	/nfs/dbraw/zinc/58/37/08/1168583708.db2.gz	HJYKVZCYFIFADN-BETUJISGSA-N	-1	0	303.318	0.281	20	30		DCEDRM
N#Cc1cc(F)cc(C2(C(=O)NCC[C@H](O)C(=O)[O-])CC2)c1	ZINC001601089917	1168584218	/nfs/dbraw/zinc/58/42/18/1168584218.db2.gz	YUSLPQZXDXNZRM-LBPRGKRZSA-N	-1	0	306.293	0.681	20	30		DCEDRM
N#Cc1ccc(CC(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)cn1	ZINC001601098182	1168584622	/nfs/dbraw/zinc/58/46/22/1168584622.db2.gz	JVIZOQJTCAGWEG-AAEUAGOBSA-N	-1	0	303.318	0.349	20	30		DCEDRM
N#Cc1ccc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1F	ZINC001601099806	1168584672	/nfs/dbraw/zinc/58/46/72/1168584672.db2.gz	CPHFICDHBAYMIP-CYBMUJFWSA-N	-1	0	305.309	0.863	20	30		DCEDRM
N#Cc1ccc(CC(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])cn1	ZINC001601097669	1168584731	/nfs/dbraw/zinc/58/47/31/1168584731.db2.gz	CDCKAIAICCPRLB-AWEZNQCLSA-N	-1	0	324.340	0.950	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1	ZINC001601096124	1168584821	/nfs/dbraw/zinc/58/48/21/1168584821.db2.gz	OJMBMCSXWGKWSX-CHWSQXEVSA-N	-1	0	314.301	0.127	20	30		DCEDRM
N#Cc1ccc(CC(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)cn1	ZINC001601098183	1168584929	/nfs/dbraw/zinc/58/49/29/1168584929.db2.gz	JVIZOQJTCAGWEG-DGCLKSJQSA-N	-1	0	303.318	0.349	20	30		DCEDRM
N#Cc1ccc(CNC(=O)NCCn2cc(C(=O)[O-])nn2)s1	ZINC001601101677	1168585270	/nfs/dbraw/zinc/58/52/70/1168585270.db2.gz	ZSTBZPITJKOKGD-UHFFFAOYSA-N	-1	0	320.334	0.409	20	30		DCEDRM
N#Cc1ccc(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])nc1	ZINC001601101313	1168585488	/nfs/dbraw/zinc/58/54/88/1168585488.db2.gz	JCHYMVFGZUEXQO-ZYHUDNBSSA-N	-1	0	304.306	0.242	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)NCCn2cc(C(=O)[O-])nn2)c1	ZINC001601102919	1168585511	/nfs/dbraw/zinc/58/55/11/1168585511.db2.gz	ROQVNQGYVJZTNH-UHFFFAOYSA-N	-1	0	303.253	0.417	20	30		DCEDRM
N#Cc1ccc(NC(=O)CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1	ZINC001601106915	1168586032	/nfs/dbraw/zinc/58/60/32/1168586032.db2.gz	JQZWXCPMZZYHPX-TZMCWYRMSA-N	-1	0	303.318	0.407	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1	ZINC001601108884	1168586125	/nfs/dbraw/zinc/58/61/25/1168586125.db2.gz	XZSVXDVUEQVKNJ-TZMCWYRMSA-N	-1	0	303.318	0.407	20	30		DCEDRM
N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nc1	ZINC001601106787	1168586224	/nfs/dbraw/zinc/58/62/24/1168586224.db2.gz	CUYWNXQXBSZYDQ-MOWSAHLDSA-N	-1	0	312.329	0.225	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]32)c(C(=O)[O-])c1	ZINC001601111656	1168586700	/nfs/dbraw/zinc/58/67/00/1168586700.db2.gz	DBLIVCWURQGKHT-WDEREUQCSA-N	-1	0	308.315	0.418	20	30		DCEDRM
N#Cc1ccc(OCC(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1	ZINC001601110345	1168586942	/nfs/dbraw/zinc/58/69/42/1168586942.db2.gz	UCLMTAXICBSFLG-TZMCWYRMSA-N	-1	0	318.329	0.791	20	30		DCEDRM
N#Cc1cccc(NC(=O)NCCC(=O)NCCC(=O)[O-])n1	ZINC001601120743	1168587252	/nfs/dbraw/zinc/58/72/52/1168587252.db2.gz	JWJBHYYUALKIHN-UHFFFAOYSA-N	-1	0	305.294	0.056	20	30		DCEDRM
N#Cc1cccc(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c1	ZINC001601123267	1168588105	/nfs/dbraw/zinc/58/81/05/1168588105.db2.gz	RUMRBQPPXOGXSP-CHWSQXEVSA-N	-1	0	303.318	0.847	20	30		DCEDRM
N#Cc1cccc(Oc2ccnc(N3CC(O)(C(=O)[O-])C3)n2)c1	ZINC001601121129	1168588938	/nfs/dbraw/zinc/58/89/38/1168588938.db2.gz	FEVRFFPKLOREIP-UHFFFAOYSA-N	-1	0	312.285	0.776	20	30		DCEDRM
N#Cc1cnc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c(Cl)c1	ZINC001601129218	1168589866	/nfs/dbraw/zinc/58/98/66/1168589866.db2.gz	RSGZEGNHGQSBAY-IUCAKERBSA-N	-1	0	309.709	0.514	20	30		DCEDRM
N#Cc1ncn(CC(=O)NCCCCC2(C(=O)[O-])CCC2)n1	ZINC001601135075	1168593517	/nfs/dbraw/zinc/59/35/17/1168593517.db2.gz	HEKJJKNTTZBMIT-UHFFFAOYSA-N	-1	0	305.338	0.691	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)n1	ZINC001601136095	1168594768	/nfs/dbraw/zinc/59/47/68/1168594768.db2.gz	FONOXULBICFYRH-HZMBPMFUSA-N	-1	0	318.337	0.046	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001601135567	1168594988	/nfs/dbraw/zinc/59/49/88/1168594988.db2.gz	DLJCFWLUWQZISV-JGVFFNPUSA-N	-1	0	316.360	0.076	20	30		DCEDRM
O=C([O-])c1nccc(N(CCNC(=O)C#CC2CC2)C2CC2)n1	ZINC001601224363	1168666805	/nfs/dbraw/zinc/66/68/05/1168666805.db2.gz	TWBSAOKEGLSQMK-UHFFFAOYSA-N	-1	0	314.345	0.673	20	30		DCEDRM
O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1cccc(C#CCO)c1	ZINC001601757948	1168854568	/nfs/dbraw/zinc/85/45/68/1168854568.db2.gz	KIWXNDKYBGMVCN-KBPBESRZSA-N	-1	0	303.314	0.081	20	30		DCEDRM
O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1cccc(C#CCO)c1	ZINC001601757950	1168855526	/nfs/dbraw/zinc/85/55/26/1168855526.db2.gz	KIWXNDKYBGMVCN-UONOGXRCSA-N	-1	0	303.314	0.081	20	30		DCEDRM
O=C([O-])Cc1occc1C(=O)NCc1ccc(C(=O)NO)cc1	ZINC001602155738	1169004417	/nfs/dbraw/zinc/00/44/17/1169004417.db2.gz	USZFDBFEEFSALA-UHFFFAOYSA-N	-1	0	318.285	0.956	20	30		DCEDRM
O=C([O-])c1ccc(O)c(C=NN[C@@H]2CCCS(=O)(=O)C2)c1	ZINC001602385545	1169066640	/nfs/dbraw/zinc/06/66/40/1169066640.db2.gz	MYESQIOIYCFTAV-LLVKDONJSA-N	-1	0	312.347	0.591	20	30		DCEDRM
C#C[C@@H](C)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC001602670386	1169155345	/nfs/dbraw/zinc/15/53/45/1169155345.db2.gz	UNPPFPRSVLHZNE-BXKDBHETSA-N	-1	0	302.286	0.003	20	30		DCEDRM
C#C[C@@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)C1CCOCC1	ZINC001602674442	1169157103	/nfs/dbraw/zinc/15/71/03/1169157103.db2.gz	PTCSLKSHZGZPFO-CYBMUJFWSA-N	-1	0	318.329	0.091	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1ccsc1C(=O)[O-])[C@H]1CCCO1	ZINC001602678083	1169157134	/nfs/dbraw/zinc/15/71/34/1169157134.db2.gz	HXGXTYOHMQEKDR-DTWKUNHWSA-N	-1	0	315.372	0.905	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-])c1ccccc1	ZINC001602684843	1169158350	/nfs/dbraw/zinc/15/83/50/1169158350.db2.gz	HMOCLTDUCXWDIZ-MGPQQGTHSA-N	-1	0	314.341	0.704	20	30		DCEDRM
C#CCC1(NS(=O)(=O)c2cccnc2-c2nnn[n-]2)CCC1	ZINC001602700556	1169163855	/nfs/dbraw/zinc/16/38/55/1169163855.db2.gz	ZLDLQOPFNRCAMX-UHFFFAOYSA-N	-1	0	318.362	0.486	20	30		DCEDRM
C#CCCS(=O)(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1	ZINC001602711673	1169166090	/nfs/dbraw/zinc/16/60/90/1169166090.db2.gz	OFXYXTKOTBUMQD-UONOGXRCSA-N	-1	0	323.370	0.845	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC/C=C/CNc1ncc(C(=O)[O-])cn1	ZINC001602727011	1169174642	/nfs/dbraw/zinc/17/46/42/1169174642.db2.gz	ZDCDOZQQKBQEEP-SGUJLRQBSA-N	-1	0	318.333	0.297	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1	ZINC001602742172	1169175936	/nfs/dbraw/zinc/17/59/36/1169175936.db2.gz	GVINBLOTNAXFSR-SMDDNHRTSA-N	-1	0	314.341	0.606	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)cc1	ZINC001602738824	1169176476	/nfs/dbraw/zinc/17/64/76/1169176476.db2.gz	NABLVARFOCXECF-UHFFFAOYSA-N	-1	0	316.313	0.045	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@H](C)CNc2ccnc(C(=O)[O-])n2)cc1	ZINC001602739312	1169176781	/nfs/dbraw/zinc/17/67/81/1169176781.db2.gz	BLUYMKPZWFDAIU-LLVKDONJSA-N	-1	0	324.340	0.808	20	30		DCEDRM
C#Cc1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])no2)cc1	ZINC001602738697	1169176801	/nfs/dbraw/zinc/17/68/01/1169176801.db2.gz	KTXMYNGYNFKEBC-UHFFFAOYSA-N	-1	0	306.299	0.833	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)N[C@@H](CC1OCCO1)C(=O)[O-])OCC	ZINC001602747536	1169178167	/nfs/dbraw/zinc/17/81/67/1169178167.db2.gz	UQXFIGAKKZKCBT-WDEREUQCSA-N	-1	0	301.339	0.690	20	30		DCEDRM
C=C[C@@](C)(O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C	ZINC001602810275	1169186360	/nfs/dbraw/zinc/18/63/60/1169186360.db2.gz	WVSSCNCZACBLED-LKFCYVNXSA-N	-1	0	301.339	0.615	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001602812933	1169185807	/nfs/dbraw/zinc/18/58/07/1169185807.db2.gz	PIRXMBRZNZNZGI-INIZCTEOSA-N	-1	0	320.345	0.696	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC/C=C/CNc1ccnc(C(=O)[O-])n1	ZINC001602810436	1169186307	/nfs/dbraw/zinc/18/63/07/1169186307.db2.gz	YBFPNSBQHBFNKU-RGDDUWESSA-N	-1	0	320.349	0.008	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001602837447	1169189657	/nfs/dbraw/zinc/18/96/57/1169189657.db2.gz	UKAXQGVYFCXFTB-SECBINFHSA-N	-1	0	308.338	0.834	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-]	ZINC001602873493	1169198546	/nfs/dbraw/zinc/19/85/46/1169198546.db2.gz	WUKLFPFSRZKJRN-JTQLQIEISA-N	-1	0	313.379	0.917	20	30		DCEDRM
C=CCN1CC[C@@H]([N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)C1=O	ZINC001602898767	1169200334	/nfs/dbraw/zinc/20/03/34/1169200334.db2.gz	XUVQHBPSFOWKHR-LZUBYRBGSA-N	-1	0	322.361	0.271	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@@H]1CNc1ncc(C(=O)[O-])cn1	ZINC001602906669	1169201963	/nfs/dbraw/zinc/20/19/63/1169201963.db2.gz	KHRNDMXVVNYUTL-GFCCVEGCSA-N	-1	0	320.349	0.780	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1)C(=O)[O-]	ZINC001602913709	1169204102	/nfs/dbraw/zinc/20/41/02/1169204102.db2.gz	XSLVYXCSSHAHLI-CYBMUJFWSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC001602915765	1169204635	/nfs/dbraw/zinc/20/46/35/1169204635.db2.gz	XACJWMLKAMXMPH-UHFFFAOYSA-N	-1	0	324.333	0.563	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001602924730	1169210012	/nfs/dbraw/zinc/21/00/12/1169210012.db2.gz	DDPKBKHOPSOHLY-JTQLQIEISA-N	-1	0	322.317	0.592	20	30		DCEDRM
C=CCn1c([C@H]2CCOC2)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001602932193	1169210216	/nfs/dbraw/zinc/21/02/16/1169210216.db2.gz	LWLDUOWQHVIRPM-HZMBPMFUSA-N	-1	0	310.329	0.971	20	30		DCEDRM
C=CCn1c([C@H](O)COC)nnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC001602931781	1169210263	/nfs/dbraw/zinc/21/02/63/1169210263.db2.gz	BOQZLFUIYWDPIH-GRYCIOLGSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=CCn1cc(CNC(=O)N2CCC(CC(=O)[O-])CC2)nn1	ZINC001602937808	1169212293	/nfs/dbraw/zinc/21/22/93/1169212293.db2.gz	IAJRCEYIBLLTLM-UHFFFAOYSA-N	-1	0	307.354	0.860	20	30		DCEDRM
C=CCn1cc(C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)nn1	ZINC001602937853	1169212565	/nfs/dbraw/zinc/21/25/65/1169212565.db2.gz	KZOVUYPXSPERRC-QMMMGPOBSA-N	-1	0	306.282	0.058	20	30		DCEDRM
C=CCn1c(C[C@@H](O)C2CC2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602935210	1169213194	/nfs/dbraw/zinc/21/31/94/1169213194.db2.gz	BLMMKWCSJUWKJU-VXGBXAGGSA-N	-1	0	322.365	0.067	20	30		DCEDRM
CC#CCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC001602947209	1169218010	/nfs/dbraw/zinc/21/80/10/1169218010.db2.gz	RNYKIFCZACOPGL-ZDUSSCGKSA-N	-1	0	316.313	0.395	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC001602946718	1169218239	/nfs/dbraw/zinc/21/82/39/1169218239.db2.gz	DGZSVJFSCXLZNU-UHFFFAOYSA-N	-1	0	300.314	0.709	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001602946133	1169219207	/nfs/dbraw/zinc/21/92/07/1169219207.db2.gz	PAHJZWTZTXIEGA-LGESCRJUSA-N	-1	0	324.377	0.472	20	30		DCEDRM
C[C@@H](C(=O)N1CCC[C@H](CC#N)C1)n1cnc(-c2nnn[n-]2)n1	ZINC001602998869	1169227665	/nfs/dbraw/zinc/22/76/65/1169227665.db2.gz	CJSRBRVLAYVBOA-VHSXEESVSA-N	-1	0	315.341	0.171	20	30		DCEDRM
C[C@@H](C(=O)OCC#CC(C)(C)C)n1cnc(-c2nnn[n-]2)n1	ZINC001603031180	1169235411	/nfs/dbraw/zinc/23/54/11/1169235411.db2.gz	BHIBAPCXVKVUFQ-VIFPVBQESA-N	-1	0	303.326	0.612	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001603129462	1169250111	/nfs/dbraw/zinc/25/01/11/1169250111.db2.gz	HOSYJEZODJMCTH-ZJUUUORDSA-N	-1	0	303.322	0.277	20	30		DCEDRM
C[C@H](C(=O)N1CCSC[C@@H]1CC(=O)[O-])n1cnc(C#N)n1	ZINC001603148040	1169255935	/nfs/dbraw/zinc/25/59/35/1169255935.db2.gz	KITCUATVBLCECS-BDAKNGLRSA-N	-1	0	309.351	0.129	20	30		DCEDRM
C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccccn1)n1cnc(C#N)n1	ZINC001603153041	1169257643	/nfs/dbraw/zinc/25/76/43/1169257643.db2.gz	GMCITAOWUZUUCY-KWQFWETISA-N	-1	0	300.278	0.048	20	30		DCEDRM
C[C@H](C(=O)NCCc1cccc(C(=O)[O-])c1)n1cnc(C#N)n1	ZINC001603165857	1169264170	/nfs/dbraw/zinc/26/41/70/1169264170.db2.gz	FRTYKLYBHNYOGK-SNVBAGLBSA-N	-1	0	313.317	0.768	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC001603576020	1169328529	/nfs/dbraw/zinc/32/85/29/1169328529.db2.gz	VJNFUCRPXUDQPZ-ZDUSSCGKSA-N	-1	0	318.395	0.870	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001603713618	1169368674	/nfs/dbraw/zinc/36/86/74/1169368674.db2.gz	GTFRWXSCJKXLOA-AWEZNQCLSA-N	-1	0	322.321	0.179	20	30		DCEDRM
C[C@@H](CC(=O)[O-])C(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC001604096612	1169492293	/nfs/dbraw/zinc/49/22/93/1169492293.db2.gz	KAWOYVIUZDQLQS-NSHDSACASA-N	-1	0	302.334	0.713	20	30		DCEDRM
C[C@@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)CSCC#N	ZINC001604159489	1169509317	/nfs/dbraw/zinc/50/93/17/1169509317.db2.gz	URZWYZLWLIWYHL-VIFPVBQESA-N	-1	0	323.378	0.372	20	30		DCEDRM
C[C@@](CO)(NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC001604193173	1169520652	/nfs/dbraw/zinc/52/06/52/1169520652.db2.gz	GDUKBEWQVUVRRC-NSHDSACASA-N	-1	0	317.223	0.537	20	30		DCEDRM
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N(CC#N)CC(=O)[O-]	ZINC001604300844	1169550416	/nfs/dbraw/zinc/55/04/16/1169550416.db2.gz	NIBWPOXUGQASRM-NXEZZACHSA-N	-1	0	313.354	0.972	20	30		DCEDRM
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1(CO)CC1	ZINC001604355790	1169566893	/nfs/dbraw/zinc/56/68/93/1169566893.db2.gz	QZWDVAMJMYGGMX-SECBINFHSA-N	-1	0	324.358	0.696	20	30		DCEDRM
CCOC1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001604412174	1169586954	/nfs/dbraw/zinc/58/69/54/1169586954.db2.gz	MBWLTRBCWWEBJD-UHFFFAOYSA-N	-1	0	300.326	0.534	20	30		DCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)c2cccnc2C(=O)[O-])CCO1	ZINC001604484222	1169602303	/nfs/dbraw/zinc/60/23/03/1169602303.db2.gz	CHXRKQOEPVPRPF-GFCCVEGCSA-N	-1	0	311.319	0.083	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCc1cccc(C#N)c1	ZINC001604626432	1169635021	/nfs/dbraw/zinc/63/50/21/1169635021.db2.gz	MGXFPSXEHGRLJF-ZWNOBZJWSA-N	-1	0	315.329	0.496	20	30		DCEDRM
C[C@H]1CCCCN1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001604734561	1169666608	/nfs/dbraw/zinc/66/66/08/1169666608.db2.gz	TXFIUUMASJJZAB-NSHDSACASA-N	-1	0	315.395	0.796	20	30		DCEDRM
C[C@@H]1COCCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001604820597	1169697161	/nfs/dbraw/zinc/69/71/61/1169697161.db2.gz	TYLNLNFQMRSPJN-JTQLQIEISA-N	-1	0	324.358	0.913	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)c1cc(-c2nn[nH]n2)ccc1C	ZINC001605041594	1169792300	/nfs/dbraw/zinc/79/23/00/1169792300.db2.gz	DTHKNAMBFVHOQW-AWEZNQCLSA-N	-1	0	300.322	0.834	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)c1ccc(C(=O)[O-])n1C	ZINC001605437750	1169920321	/nfs/dbraw/zinc/92/03/21/1169920321.db2.gz	PPYQKFAMPVDJHU-UHFFFAOYSA-N	-1	0	307.306	0.642	20	30		DCEDRM
CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001605577707	1169964407	/nfs/dbraw/zinc/96/44/07/1169964407.db2.gz	AJNAUMYLLOGMEL-DTWKUNHWSA-N	-1	0	320.305	0.633	20	30		DCEDRM
CN([C@H](COC1CCC1)C(=O)[O-])S(=O)(=O)CC(C)(C)C#N	ZINC001605992162	1170043162	/nfs/dbraw/zinc/04/31/62/1170043162.db2.gz	AKIWFPBVMHMHOV-LLVKDONJSA-N	-1	0	318.395	0.820	20	30		DCEDRM
Cc1nnc([C@@H](C)Nc2cnc(C#N)c(-c3nnn[n-]3)n2)s1	ZINC001606120025	1170083782	/nfs/dbraw/zinc/08/37/82/1170083782.db2.gz	WMVDNUCNHUKRDZ-RXMQYKEDSA-N	-1	0	314.338	0.861	20	30		DCEDRM
N#CC1(CC(=O)Nc2c[nH]nc2-c2nnn[n-]2)CCOCC1	ZINC001606340014	1170161806	/nfs/dbraw/zinc/16/18/06/1170161806.db2.gz	CDVVGYJIBKLCCM-UHFFFAOYSA-N	-1	0	302.298	0.239	20	30		DCEDRM
N#C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1	ZINC001606346025	1170164931	/nfs/dbraw/zinc/16/49/31/1170164931.db2.gz	ULTPSCPTAAAQRH-MRVPVSSYSA-N	-1	0	308.323	0.384	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(C#N)cn1C	ZINC001606383343	1170176145	/nfs/dbraw/zinc/17/61/45/1170176145.db2.gz	DUJUUBCGJYJNFV-QWRGUYRKSA-N	-1	0	319.317	0.375	20	30		DCEDRM
N#Cc1ncc(NCCO[C@@H]2CC2(F)F)nc1-c1nnn[n-]1	ZINC001606398320	1170183140	/nfs/dbraw/zinc/18/31/40/1170183140.db2.gz	WKQJIARLKDBLJP-SSDOTTSWSA-N	-1	0	308.252	0.364	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)NCC2(CC#N)CC2)C[C@@H]1C(=O)[O-]	ZINC001606418499	1170193323	/nfs/dbraw/zinc/19/33/23/1170193323.db2.gz	MTEKADSKWUXGCR-VHSXEESVSA-N	-1	0	309.322	0.195	20	30		DCEDRM
COC(=O)[C@H]1CCCCN1CC#CCN1CCCC[C@@H]1C(=O)[O-]	ZINC001606514936	1170226095	/nfs/dbraw/zinc/22/60/95/1170226095.db2.gz	AXNWEJKFEFZGPU-HUUCEWRRSA-N	-1	0	322.405	0.956	20	30		DCEDRM
COC1(OC)CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H]1O	ZINC001606723466	1170273470	/nfs/dbraw/zinc/27/34/70/1170273470.db2.gz	QEDXBFBEQUAIFW-UONOGXRCSA-N	-1	0	320.345	0.740	20	30		DCEDRM
COc1c(NC(=O)C(=O)N(C)C[C@H](C)C#N)cccc1C(=O)[O-]	ZINC001607024544	1170357498	/nfs/dbraw/zinc/35/74/98/1170357498.db2.gz	MPKRLWHEYTXEJB-SECBINFHSA-N	-1	0	319.317	0.950	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001607065266	1170377495	/nfs/dbraw/zinc/37/74/95/1170377495.db2.gz	TZDLUXCHHCEYLJ-IWIIMEHWSA-N	-1	0	322.342	0.518	20	30		DCEDRM
COc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C#N	ZINC001607168793	1170411997	/nfs/dbraw/zinc/41/19/97/1170411997.db2.gz	HKUYIPSBFSCYLS-ZETCQYMHSA-N	-1	0	316.310	0.970	20	30		DCEDRM
COc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N(C)CC#N	ZINC001607168233	1170412167	/nfs/dbraw/zinc/41/21/67/1170412167.db2.gz	IXKXYJMWEIWRBE-UHFFFAOYSA-N	-1	0	302.283	0.677	20	30		DCEDRM
COc1ccc(S(=O)(=O)NCC#N)c(OC)c1C(=O)[O-]	ZINC001607286398	1170424051	/nfs/dbraw/zinc/42/40/51/1170424051.db2.gz	CVAHBHYOFRZKCM-UHFFFAOYSA-N	-1	0	300.292	0.204	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC001607459028	1170458625	/nfs/dbraw/zinc/45/86/25/1170458625.db2.gz	XRGTUHDIDSTWIO-YUMQZZPRSA-N	-1	0	322.296	0.797	20	30		DCEDRM
Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCN(C(=O)CC#N)CC1	ZINC001607496509	1170466911	/nfs/dbraw/zinc/46/69/11/1170466911.db2.gz	WVQUWTYBXVVQFO-UHFFFAOYSA-N	-1	0	318.333	0.262	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1	ZINC001607564933	1170477632	/nfs/dbraw/zinc/47/76/32/1170477632.db2.gz	ZFJLMLXNTKJKRM-NSHDSACASA-N	-1	0	318.333	0.056	20	30		DCEDRM
Cc1nn(CCC(=O)[O-])c(C)c1C=NN1CC(=O)N(C)C1=O	ZINC001608007456	1170546766	/nfs/dbraw/zinc/54/67/66/1170546766.db2.gz	XFAIPAOUGGFTJI-UHFFFAOYSA-N	-1	0	307.310	0.203	20	30		DCEDRM
Cn1cc(S(=O)(=O)N2CC[C@@](F)(C#N)C2)cc1C(=O)[O-]	ZINC001608120606	1170580679	/nfs/dbraw/zinc/58/06/79/1170580679.db2.gz	LWVTXXIPPPVFOZ-LLVKDONJSA-N	-1	0	301.299	0.350	20	30		DCEDRM
N#C[C@]1(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CC12CCCC2	ZINC001608171952	1170609460	/nfs/dbraw/zinc/60/94/60/1170609460.db2.gz	KBOHMLXIPDLRSS-HZMBPMFUSA-N	-1	0	303.322	0.322	20	30		DCEDRM
N#CCC1(CNC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1	ZINC001608178431	1170610328	/nfs/dbraw/zinc/61/03/28/1170610328.db2.gz	OEDAYMBFVSZCGW-SNVBAGLBSA-N	-1	0	318.337	0.627	20	30		DCEDRM
N#CCC1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1	ZINC001608181585	1170610426	/nfs/dbraw/zinc/61/04/26/1170610426.db2.gz	MGYQRFVDQAKAGC-GFCCVEGCSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CCC(=O)N1CCN(Cc2noc(CCCC(=O)[O-])n2)CC1	ZINC001608178411	1170610749	/nfs/dbraw/zinc/61/07/49/1170610749.db2.gz	NKGCAEOQVMFCKH-UHFFFAOYSA-N	-1	0	321.337	0.035	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)c2ccoc2CC(=O)[O-])CC1	ZINC001608178807	1170610913	/nfs/dbraw/zinc/61/09/13/1170610913.db2.gz	BTAKVCJOERRYKK-UHFFFAOYSA-N	-1	0	305.290	0.105	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)Cc1ccc2c(c1)OCCO2	ZINC001608185274	1170611492	/nfs/dbraw/zinc/61/14/92/1170611492.db2.gz	KGEQDNSKXQEMSP-UHFFFAOYSA-N	-1	0	304.302	0.827	20	30		DCEDRM
N#CCC1CCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1	ZINC001608182137	1170611783	/nfs/dbraw/zinc/61/17/83/1170611783.db2.gz	VCKJEEYZBVACOR-GFCCVEGCSA-N	-1	0	305.334	0.428	20	30		DCEDRM
N#Cc1cc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)c(F)cc1F	ZINC001608198212	1170613867	/nfs/dbraw/zinc/61/38/67/1170613867.db2.gz	TXMYAOGAHZINQP-ZDUSSCGKSA-N	-1	0	311.244	0.890	20	30		DCEDRM
N#Cc1cc(CS(=O)(=O)N(CC(=O)[O-])C2CC2)cs1	ZINC001608197365	1170614204	/nfs/dbraw/zinc/61/42/04/1170614204.db2.gz	VUQUNPTWANMJOC-UHFFFAOYSA-N	-1	0	300.361	0.999	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])cc1	ZINC001608200448	1170614744	/nfs/dbraw/zinc/61/47/44/1170614744.db2.gz	JRYUOQRIRQKIAY-STQMWFEESA-N	-1	0	315.329	0.658	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)nn1	ZINC001608206611	1170615314	/nfs/dbraw/zinc/61/53/14/1170615314.db2.gz	XBXNOALSVWHNRP-HNNXBMFYSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cn2)cn1	ZINC001608211870	1170615793	/nfs/dbraw/zinc/61/57/93/1170615793.db2.gz	NOETURQGCPACGG-UHFFFAOYSA-N	-1	0	318.314	0.525	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NC2(C(=O)[O-])CC(CO)C2)cc1	ZINC001608208560	1170616135	/nfs/dbraw/zinc/61/61/35/1170616135.db2.gz	FOJSGOQPFJEJJC-UHFFFAOYSA-N	-1	0	303.318	0.312	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(CO)C2)c(C(=O)[O-])c1	ZINC001608209870	1170616235	/nfs/dbraw/zinc/61/62/35/1170616235.db2.gz	UFNHJKAJKWMPMW-YGRLFVJLSA-N	-1	0	322.342	0.259	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)s1	ZINC001608207216	1170616320	/nfs/dbraw/zinc/61/63/20/1170616320.db2.gz	DTAYXBWBBMWJAJ-UHFFFAOYSA-N	-1	0	312.332	0.520	20	30		DCEDRM
N#Cc1ccc(OC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)c(F)c1	ZINC001608209620	1170616442	/nfs/dbraw/zinc/61/64/42/1170616442.db2.gz	VHRQWRWOPLYPAY-SNVBAGLBSA-N	-1	0	320.276	0.926	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CO)C2CCC2)c(C(=O)[O-])c1	ZINC001608211034	1170616471	/nfs/dbraw/zinc/61/64/71/1170616471.db2.gz	YDIOINCFSXHBRH-GFCCVEGCSA-N	-1	0	324.358	0.696	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N[C@H](CC(=O)[O-])C2CC2)n1	ZINC001608217066	1170617073	/nfs/dbraw/zinc/61/70/73/1170617073.db2.gz	KKOATLULYXKPPI-SNVBAGLBSA-N	-1	0	302.290	0.261	20	30		DCEDRM
N#Cc1ccc2[nH]c(NC(=O)Cn3cc(C(=O)[O-])nn3)nc2c1	ZINC001608213717	1170617289	/nfs/dbraw/zinc/61/72/89/1170617289.db2.gz	XFWGAJRBWWJTKG-UHFFFAOYSA-N	-1	0	311.261	0.363	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)C(=O)NC1(CC(=O)[O-])CC1)CC2	ZINC001608214070	1170617554	/nfs/dbraw/zinc/61/75/54/1170617554.db2.gz	CJKHQYZZSJCTOV-UHFFFAOYSA-N	-1	0	313.313	0.571	20	30		DCEDRM
N#Cc1ccccc1OC[C@H](O)CN1CCOC[C@@H]1C(=O)[O-]	ZINC001608219340	1170618148	/nfs/dbraw/zinc/61/81/48/1170618148.db2.gz	QQSBLLKAVDZVOM-CHWSQXEVSA-N	-1	0	306.318	0.083	20	30		DCEDRM
N#Cc1ccncc1C(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001608220681	1170618602	/nfs/dbraw/zinc/61/86/02/1170618602.db2.gz	JIUHLLKOBPKDGV-LBPRGKRZSA-N	-1	0	317.301	0.576	20	30		DCEDRM
N#Cc1sccc1N1CCN(CC(=O)NCCC(=O)[O-])CC1	ZINC001608224848	1170619386	/nfs/dbraw/zinc/61/93/86/1170619386.db2.gz	GZDHVSLLCQHFGN-UHFFFAOYSA-N	-1	0	322.390	0.333	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001608225197	1170619397	/nfs/dbraw/zinc/61/93/97/1170619397.db2.gz	QEVWHSIBWSMZQF-XVKPBYJWSA-N	-1	0	316.360	0.218	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001608225364	1170619434	/nfs/dbraw/zinc/61/94/34/1170619434.db2.gz	MLFYYYRMJBSEAP-RCOVLWMOSA-N	-1	0	317.273	0.197	20	30		DCEDRM
N#Cc1nccc(N2CCC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1	ZINC001608225660	1170619677	/nfs/dbraw/zinc/61/96/77/1170619677.db2.gz	XEUNVLFEBOUHAE-GHMZBOCLSA-N	-1	0	315.333	0.154	20	30		DCEDRM
C#C[C@H](NC(=O)c1cc(-c2nn[nH]n2)oc1C)[C@H]1CCCO1	ZINC001609018784	1170785172	/nfs/dbraw/zinc/78/51/72/1170785172.db2.gz	GETSEEWBVUHUMW-WDEREUQCSA-N	-1	0	301.306	0.679	20	30		DCEDRM
C#CCN(C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C1CCCC1	ZINC001609020962	1170786015	/nfs/dbraw/zinc/78/60/15/1170786015.db2.gz	VGQHWMZPEXIQNZ-SNVBAGLBSA-N	-1	0	314.353	0.424	20	30		DCEDRM
C[C@@H](C#N)CNN=C1CCCc2c1c[nH]c(=O)c2-c1nnn[n-]1	ZINC001609067791	1170798069	/nfs/dbraw/zinc/79/80/69/1170798069.db2.gz	GFTBMDGRHWFBNT-QMMMGPOBSA-N	-1	0	312.337	0.757	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1)C(=O)[O-]	ZINC001609076327	1170800387	/nfs/dbraw/zinc/80/03/87/1170800387.db2.gz	HWPDFFZLQBGWIT-BXUZGUMPSA-N	-1	0	316.313	0.393	20	30		DCEDRM
C#CC[C@H](NC(=O)CN1C(=O)c2ccc(C)cc2C1=O)C(=O)[O-]	ZINC001609078896	1170801620	/nfs/dbraw/zinc/80/16/20/1170801620.db2.gz	NYUZYAMGCFKRAI-LBPRGKRZSA-N	-1	0	314.297	0.184	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC001609105175	1170809704	/nfs/dbraw/zinc/80/97/04/1170809704.db2.gz	NAHLQCBXGJDHBI-GFCCVEGCSA-N	-1	0	311.359	0.579	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC001609105285	1170812533	/nfs/dbraw/zinc/81/25/33/1170812533.db2.gz	RZODKNSXGTXDPQ-LBPRGKRZSA-N	-1	0	311.359	0.366	20	30		DCEDRM
CCO[C@@H]1CC(N=Nc2oc(C)nc2-c2nnn[n-]2)[C@H]1OC	ZINC001609241781	1170893251	/nfs/dbraw/zinc/89/32/51/1170893251.db2.gz	UTNRLRTUPGDMES-PSASIEDQSA-N	-1	0	307.314	0.755	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC001609267115	1170903649	/nfs/dbraw/zinc/90/36/49/1170903649.db2.gz	KXLBMVVQZMAQRP-SNVBAGLBSA-N	-1	0	306.318	0.949	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1scnc1C(=O)[O-]	ZINC001609290359	1170915477	/nfs/dbraw/zinc/91/54/77/1170915477.db2.gz	DFUZWJXJTYIASB-SSDOTTSWSA-N	-1	0	306.365	0.304	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(-n2cncn2)nc1)C(=O)[O-]	ZINC001609443070	1170979192	/nfs/dbraw/zinc/97/91/92/1170979192.db2.gz	QLCJIWWQZZEZRU-NSHDSACASA-N	-1	0	317.305	0.048	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC001609488696	1170995009	/nfs/dbraw/zinc/99/50/09/1170995009.db2.gz	IEOQSCVZDUKDQJ-SECBINFHSA-N	-1	0	301.320	0.339	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001609488630	1170995281	/nfs/dbraw/zinc/99/52/81/1170995281.db2.gz	GNFQNOUSXHEAOX-UHFFFAOYSA-N	-1	0	304.302	0.570	20	30		DCEDRM
CC(=O)N[C@@H](CSC[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001609622774	1171053014	/nfs/dbraw/zinc/05/30/14/1171053014.db2.gz	NHKAIFLGJSGGQZ-STQMWFEESA-N	-1	0	308.359	0.914	20	30		DCEDRM
CC1(C#N)CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)CC1	ZINC001609812226	1171091347	/nfs/dbraw/zinc/09/13/47/1171091347.db2.gz	SUCDEKBUGSHCLF-UHFFFAOYSA-N	-1	0	306.326	0.312	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)c1ncncc1C(=O)[O-]	ZINC001610119599	1171163062	/nfs/dbraw/zinc/16/30/62/1171163062.db2.gz	OWIZZEIIDJLAOH-UHFFFAOYSA-N	-1	0	301.310	0.421	20	30		DCEDRM
CNC(=O)[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCO1	ZINC001610139853	1171173635	/nfs/dbraw/zinc/17/36/35/1171173635.db2.gz	XSHVQLRZQHSJQG-ZDUSSCGKSA-N	-1	0	303.318	0.203	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@H](C(=O)[O-])C1	ZINC001610169343	1171185205	/nfs/dbraw/zinc/18/52/05/1171185205.db2.gz	ORMQAOYDBIKHJT-KBPBESRZSA-N	-1	0	315.325	0.903	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)nc1	ZINC001610179159	1171188178	/nfs/dbraw/zinc/18/81/78/1171188178.db2.gz	YYSOKGFTJDNKRK-CABZTGNLSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])n(CN2CCSC[C@H]2C#N)n1	ZINC001610198186	1171195496	/nfs/dbraw/zinc/19/54/96/1171195496.db2.gz	YKSICZJCIMDHCF-MRVPVSSYSA-N	-1	0	310.335	0.266	20	30		DCEDRM
COc1cc(CNC(=O)Cn2cc(C(=O)[O-])nn2)ccc1C#N	ZINC001610298538	1171217334	/nfs/dbraw/zinc/21/73/34/1171217334.db2.gz	SUPPYNJAHQPNCK-UHFFFAOYSA-N	-1	0	315.289	0.173	20	30		DCEDRM
COc1ccc(C#N)cc1COC(=O)Cn1cc(C(=O)[O-])nn1	ZINC001610312433	1171218509	/nfs/dbraw/zinc/21/85/09/1171218509.db2.gz	ZIARAPHVIZYVBG-UHFFFAOYSA-N	-1	0	316.273	0.600	20	30		DCEDRM
Cc1c(NC(=O)Nc2nn(C)cc2C#N)cnn1CC(=O)[O-]	ZINC001610423776	1171234504	/nfs/dbraw/zinc/23/45/04/1171234504.db2.gz	IDBVBYHZPOTLQT-UHFFFAOYSA-N	-1	0	303.282	0.525	20	30		DCEDRM
Cc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1C#N	ZINC001610484061	1171242419	/nfs/dbraw/zinc/24/24/19/1171242419.db2.gz	QKNDDBCYAKAEOI-GFCCVEGCSA-N	-1	0	301.302	0.282	20	30		DCEDRM
Cc1oc(CN(C)C(=O)[C@H](C)n2cnc(C#N)n2)cc1C(=O)[O-]	ZINC001610580014	1171259695	/nfs/dbraw/zinc/25/96/95/1171259695.db2.gz	HYVVATYJCMPCAJ-QMMMGPOBSA-N	-1	0	317.305	0.969	20	30		DCEDRM
N#CCCCS(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001610621397	1171271395	/nfs/dbraw/zinc/27/13/95/1171271395.db2.gz	GOEAWFXRJTZNSI-CMPLNLGQSA-N	-1	0	302.352	0.043	20	30		DCEDRM
N#CCOc1ccccc1C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001610623440	1171271427	/nfs/dbraw/zinc/27/14/27/1171271427.db2.gz	PLQSJUNMTIMGJL-UHFFFAOYSA-N	-1	0	315.289	0.309	20	30		DCEDRM
N#Cc1cc2c(nc1N1C[C@H](O)C[C@@H](C(=O)[O-])C1)CCOC2	ZINC001610626111	1171271825	/nfs/dbraw/zinc/27/18/25/1171271825.db2.gz	LDIOSTAFNLJCCB-ZYHUDNBSSA-N	-1	0	303.318	0.298	20	30		DCEDRM
N#Cc1ccc(CN2C(=O)[C@@H]3C[C@H](C(=O)[O-])CCN3C2=O)nc1	ZINC001610628195	1171272743	/nfs/dbraw/zinc/27/27/43/1171272743.db2.gz	QZVFPZZGNRLISF-PWSUYJOCSA-N	-1	0	314.301	0.581	20	30		DCEDRM
O=C([O-])c1coc(C(=O)NCCNC(=O)C2N=CC=CC2=O)c1	ZINC001610884693	1171349141	/nfs/dbraw/zinc/34/91/41/1171349141.db2.gz	ZFYFBHIHTJMQDM-ACCUITESSA-N	-1	0	319.273	0.234	20	30		DCEDRM
C=C(C)C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OCC	ZINC001612826870	1171365128	/nfs/dbraw/zinc/36/51/28/1171365128.db2.gz	AULHAVGRFQTEIF-SNVBAGLBSA-N	-1	0	306.322	0.255	20	30		DCEDRM
CCN1C(=S)N=NC1CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001616202789	1171376977	/nfs/dbraw/zinc/37/69/77/1171376977.db2.gz	YZURAEBEFQQZJS-UHFFFAOYSA-N	-1	0	318.362	0.797	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C(=O)OC	ZINC001622226703	1171421997	/nfs/dbraw/zinc/42/19/97/1171421997.db2.gz	ZZRCEEMPTITSGK-HOGDKLEQSA-N	-1	0	324.424	0.282	20	30		DCEDRM
C=CCOCCCC(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1	ZINC001631981725	1171608045	/nfs/dbraw/zinc/60/80/45/1171608045.db2.gz	DADSIFMHTMNJBH-UHFFFAOYSA-N	-1	0	314.363	0.961	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)c1nc[n-]c(=O)c1Br	ZINC001633527545	1171645098	/nfs/dbraw/zinc/64/50/98/1171645098.db2.gz	UACLSRAXZHYLGT-LURJTMIESA-N	-1	0	302.128	0.876	20	30		DCEDRM
Cc1cnc(F)c(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001641970193	1171934651	/nfs/dbraw/zinc/93/46/51/1171934651.db2.gz	BCKKENMPSZCZOE-UHFFFAOYSA-N	-1	0	317.280	0.093	20	30		DCEDRM
C/C(=C(\F)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001641970730	1171934696	/nfs/dbraw/zinc/93/46/96/1171934696.db2.gz	QQCHGCRKEAMLDZ-DHZHZOJOSA-N	-1	0	306.297	0.590	20	30		DCEDRM
CCC(C)(C)OCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001642264637	1171941362	/nfs/dbraw/zinc/94/13/62/1171941362.db2.gz	DUZUJLGZAVVPSK-UHFFFAOYSA-N	-1	0	308.338	0.142	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)CO[C@@H]2CCOC2)cc1	ZINC001645591592	1172067282	/nfs/dbraw/zinc/06/72/82/1172067282.db2.gz	LWSNOCBMCQBWLU-LLVKDONJSA-N	-1	0	310.331	0.169	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)Cc3ccccc3)C2)c(=O)[n-]c1=O	ZINC001647327730	1172815531	/nfs/dbraw/zinc/81/55/31/1172815531.db2.gz	OOELNEDYMCOYPM-UHFFFAOYSA-N	-1	0	310.313	0.447	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc3c(c2)[nH]ccc3=O)c(C#N)c1=O	ZINC001651034878	1173739253	/nfs/dbraw/zinc/73/92/53/1173739253.db2.gz	RMZOWZLAKXDULI-UHFFFAOYSA-N	-1	0	323.312	0.399	20	30		DCEDRM
C=CCNc1ncc(C(=O)N[C@H](COC)c2nnn[n-]2)s1	ZINC001651846471	1173754264	/nfs/dbraw/zinc/75/42/64/1173754264.db2.gz	DLTYBQPTKNJRKZ-SSDOTTSWSA-N	-1	0	309.355	0.372	20	30		DCEDRM
Cc1cccc2nc(CNc3[n-]c(=O)n(C)c(=O)c3C#N)n(C)c21	ZINC001655247313	1173816750	/nfs/dbraw/zinc/81/67/50/1173816750.db2.gz	LOZRBPJOXQVXPT-UHFFFAOYSA-N	-1	0	324.344	0.753	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1c(F)cccc1Br	ZINC001655461957	1173820461	/nfs/dbraw/zinc/82/04/61/1173820461.db2.gz	PRXZMEKBAOPUHO-ZETCQYMHSA-N	-1	0	322.155	0.861	20	30		DCEDRM
C#CCn1cc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cn1	ZINC001663024075	1174256995	/nfs/dbraw/zinc/25/69/95/1174256995.db2.gz	RJCZGGZDGHWFDU-UHFFFAOYSA-N	-1	0	321.318	0.298	20	30		DCEDRM
CC#CCCCC(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001665659446	1174546572	/nfs/dbraw/zinc/54/65/72/1174546572.db2.gz	LVGIAKSEYUFFCH-GFCCVEGCSA-N	-1	0	305.382	0.737	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CCC[C@@H]2CNCC#N)cc1=O	ZINC001666434816	1174603349	/nfs/dbraw/zinc/60/33/49/1174603349.db2.gz	JIZICARJKJOWQV-CQSZACIVSA-N	-1	0	319.409	0.479	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001683313382	1175957315	/nfs/dbraw/zinc/95/73/15/1175957315.db2.gz	JYDBGYFFENKKIP-TUAOUCFPSA-N	-1	0	321.381	0.990	20	30		DCEDRM
N#CCNC[C@@H]1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001700901758	1178797021	/nfs/dbraw/zinc/79/70/21/1178797021.db2.gz	ADBPAMKZNNATFQ-GHMZBOCLSA-N	-1	0	314.349	0.034	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)C[C@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001700966867	1178846643	/nfs/dbraw/zinc/84/66/43/1178846643.db2.gz	FOAIRWUZAOXUSA-LLVKDONJSA-N	-1	0	323.397	0.118	20	30		DCEDRM
C=CCCC(=O)N[C@H](C)[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O	ZINC001701118252	1178930338	/nfs/dbraw/zinc/93/03/38/1178930338.db2.gz	KUJSJSPDCKBEMU-ZJUUUORDSA-N	-1	0	322.365	0.075	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N1CC(NC(=O)c2cn[nH]n2)C1)OCC	ZINC001704533822	1180047037	/nfs/dbraw/zinc/04/70/37/1180047037.db2.gz	RUWDXCGMHOKBQV-LBPRGKRZSA-N	-1	0	307.354	0.117	20	30		DCEDRM
C=CCOCC(=O)N(C)CCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001704879396	1180158077	/nfs/dbraw/zinc/15/80/77/1180158077.db2.gz	UVLTUDKQXMBXLC-UHFFFAOYSA-N	-1	0	310.354	0.157	20	30		DCEDRM
O=C(C#CC1CC1)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001713213784	1180722180	/nfs/dbraw/zinc/72/21/80/1180722180.db2.gz	SPTBEJDNCDDQSD-LBPRGKRZSA-N	-1	0	303.366	0.252	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001717141467	1182693228	/nfs/dbraw/zinc/69/32/28/1182693228.db2.gz	PWQHJVHGHOILNM-NSHDSACASA-N	-1	0	323.397	0.430	20	30		DCEDRM
C#CCCCC(=O)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(C)C	ZINC001717947011	1183086722	/nfs/dbraw/zinc/08/67/22/1183086722.db2.gz	JUCATFHASUWBPE-UHFFFAOYSA-N	-1	0	307.398	0.983	20	30		DCEDRM
C=CCCOCC(=O)N1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001722008313	1184135570	/nfs/dbraw/zinc/13/55/70/1184135570.db2.gz	OFEGCXMGMMPIQD-LLVKDONJSA-N	-1	0	322.365	0.347	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)C#CC2CC2)c1[O-]	ZINC001722014393	1184139421	/nfs/dbraw/zinc/13/94/21/1184139421.db2.gz	ZORYNTBIUQHKRZ-LLVKDONJSA-N	-1	0	302.334	0.168	20	30		DCEDRM
C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001732147293	1185700042	/nfs/dbraw/zinc/70/00/42/1185700042.db2.gz	VXICCBZUBHZNEH-QWRGUYRKSA-N	-1	0	305.382	0.898	20	30		DCEDRM
C#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001733281204	1186211114	/nfs/dbraw/zinc/21/11/14/1186211114.db2.gz	BTXZCCGVDYDGMR-BETUJISGSA-N	-1	0	317.393	0.879	20	30		DCEDRM
C#CCN(C(=O)CC(C)C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001733365875	1186241473	/nfs/dbraw/zinc/24/14/73/1186241473.db2.gz	UTXFTSLSJAVALX-UHFFFAOYSA-N	-1	0	319.409	0.983	20	30		DCEDRM
C=CCOCCN1CCOC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001733700947	1186404709	/nfs/dbraw/zinc/40/47/09/1186404709.db2.gz	YXUKLUROGPRDJH-LBPRGKRZSA-N	-1	0	324.381	0.057	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(CCOC)cc1)C(=O)[O-]	ZINC000274925492	1187179895	/nfs/dbraw/zinc/17/98/95/1187179895.db2.gz	BOMYCWNXMKADPS-ZDUSSCGKSA-N	-1	0	311.359	0.630	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCN(C(=O)[C@H](C)C#N)C2CC2)c1[O-]	ZINC001737307146	1187307660	/nfs/dbraw/zinc/30/76/60/1187307660.db2.gz	WRMVSVHBTKVKRA-SECBINFHSA-N	-1	0	319.365	0.694	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1)OCC	ZINC001737455956	1187340113	/nfs/dbraw/zinc/34/01/13/1187340113.db2.gz	YNUBUCQKGCQYHY-NQBHXWOUSA-N	-1	0	321.381	0.553	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](CNC(=O)C#CC(C)C)C2)c1[O-]	ZINC001737598698	1187370879	/nfs/dbraw/zinc/37/08/79/1187370879.db2.gz	JIMCRQLEEBRIFH-LBPRGKRZSA-N	-1	0	318.377	0.661	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1CN(CCC#N)CCN1CCOCC1	ZINC001771843850	1188344102	/nfs/dbraw/zinc/34/41/02/1188344102.db2.gz	ATABMKNALRJQPZ-UHFFFAOYSA-N	-1	0	321.381	0.166	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001754563773	1188879713	/nfs/dbraw/zinc/87/97/13/1188879713.db2.gz	PEXNTTBLVYUHBZ-OAHLLOKOSA-N	-1	0	321.381	0.137	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC([C@H](C)NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001756149771	1189301911	/nfs/dbraw/zinc/30/19/11/1189301911.db2.gz	KIFUGHHEYFDJRD-JTQLQIEISA-N	-1	0	318.377	0.660	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCN(C)C(=O)C#CC(C)C)c1[O-]	ZINC001758359486	1189851326	/nfs/dbraw/zinc/85/13/26/1189851326.db2.gz	USJSTCULWCFZQZ-UHFFFAOYSA-N	-1	0	306.366	0.661	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001759830034	1190310524	/nfs/dbraw/zinc/31/05/24/1190310524.db2.gz	PTEHTFKWOKSCKK-NSHDSACASA-N	-1	0	304.350	0.558	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NN2CCCNC2=O)cc1C#N	ZINC001771650636	1190405399	/nfs/dbraw/zinc/40/53/99/1190405399.db2.gz	XTZNYHXKFWSVKM-UHFFFAOYSA-N	-1	0	307.335	0.441	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)O[C@H](C)c2nnnn2C)cc1C#N	ZINC001772125422	1190612400	/nfs/dbraw/zinc/61/24/00/1190612400.db2.gz	GNUITHFAKYCWQI-ZCFIWIBFSA-N	-1	0	320.334	0.822	20	30		DCEDRM
C=CCN1CCN(c2ccc(S(=O)(=O)[N-]C(C)=O)cn2)CC1	ZINC001165034449	721872177	/nfs/dbraw/zinc/87/21/77/721872177.db2.gz	KRFLNBFHHQLPBS-UHFFFAOYSA-N	-1	0	324.406	0.214	20	30		DCEDRM
C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001042580309	751759411	/nfs/dbraw/zinc/75/94/11/751759411.db2.gz	NCTYEZFAEFSPPR-UHFFFAOYSA-N	-1	0	322.365	0.083	20	30		DCEDRM
C[C@]1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC=CCC1	ZINC001167526708	747354917	/nfs/dbraw/zinc/35/49/17/747354917.db2.gz	BRDQHKRCSAYGIS-HNNXBMFYSA-N	-1	0	302.334	0.683	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)c1[O-]	ZINC001058877763	748415668	/nfs/dbraw/zinc/41/56/68/748415668.db2.gz	FGNRXZAAANYYJH-JTQLQIEISA-N	-1	0	313.321	0.412	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](Nc3ccncc3C#N)C2)c1[O-]	ZINC001058878125	748416186	/nfs/dbraw/zinc/41/61/86/748416186.db2.gz	SZCFZRDPCJTPJC-NSHDSACASA-N	-1	0	312.333	0.439	20	30		DCEDRM
CCN(CCNc1nccnc1C#N)C(=O)c1n[nH]c(C)c1[O-]	ZINC001106726042	751248670	/nfs/dbraw/zinc/24/86/70/751248670.db2.gz	ZKNCXALLZGKWEQ-UHFFFAOYSA-N	-1	0	315.337	0.660	20	30		DCEDRM
C=CCCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1C	ZINC001071914451	762224828	/nfs/dbraw/zinc/22/48/28/762224828.db2.gz	QWHQWEWRAMSBOC-GXSJLCMTSA-N	-1	0	306.366	0.967	20	30		DCEDRM
C=CCCC(=O)N[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C	ZINC001071914452	762224844	/nfs/dbraw/zinc/22/48/44/762224844.db2.gz	QWHQWEWRAMSBOC-KOLCDFICSA-N	-1	0	306.366	0.967	20	30		DCEDRM
C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001080051216	756087362	/nfs/dbraw/zinc/08/73/62/756087362.db2.gz	PCYHBEAVFCBVRL-HTRCEHHLSA-N	-1	0	313.745	0.085	20	30		DCEDRM
C=CCN1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1	ZINC001113670427	762464762	/nfs/dbraw/zinc/46/47/62/762464762.db2.gz	JFJYXVQQZLJCDX-UHFFFAOYSA-N	-1	0	307.316	0.774	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCN(c3ccc(C#N)nn3)CC2)c1[O-]	ZINC001055775501	756913180	/nfs/dbraw/zinc/91/31/80/756913180.db2.gz	HAVVWKSDUSDWFD-UHFFFAOYSA-N	-1	0	313.321	0.048	20	30		DCEDRM
C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1c[n-]n2c1nccc2=O	ZINC001085860819	759396551	/nfs/dbraw/zinc/39/65/51/759396551.db2.gz	IZZRNXPEUMZZRY-LBPRGKRZSA-N	-1	0	315.377	0.745	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001169299895	760637954	/nfs/dbraw/zinc/63/79/54/760637954.db2.gz	IOHCVPHLLDFPQX-NSHDSACASA-N	-1	0	316.317	0.034	20	30		DCEDRM
C#CCN1CC[C@]2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])C[C@H](C)O2	ZINC001071156306	761664917	/nfs/dbraw/zinc/66/49/17/761664917.db2.gz	FQOQDQQNRKWJLB-ZBEGNZNMSA-N	-1	0	318.377	0.362	20	30		DCEDRM
CC[C@@H](O)Cn1cc(C(=O)Nc2cc(C#N)ccc2[O-])nn1	ZINC001137934477	763398719	/nfs/dbraw/zinc/39/87/19/763398719.db2.gz	ZDJJNNHUBDUHPP-SNVBAGLBSA-N	-1	0	301.306	0.879	20	30		DCEDRM
CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1nccnc1C#N	ZINC001103046429	764920947	/nfs/dbraw/zinc/92/09/47/764920947.db2.gz	SSCYAOCYAIYMLF-SECBINFHSA-N	-1	0	315.337	0.706	20	30		DCEDRM
C[C@H](CCCNc1ccc(C#N)nn1)NC(=O)c1cn[nH]n1	ZINC001115115063	765594733	/nfs/dbraw/zinc/59/47/33/765594733.db2.gz	ZZSJUXXVELIKSK-SECBINFHSA-N	-1	0	300.326	0.477	20	30		DCEDRM
C[C@@H](C[C@H](C)NC(=O)c1c[n-]n2c1nccc2=O)NCC#N	ZINC001135648570	766018395	/nfs/dbraw/zinc/01/83/95/766018395.db2.gz	MMTKXRPNIGYBMZ-UWVGGRQHSA-N	-1	0	302.338	0.033	20	30		DCEDRM
C=CCO[N-]C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1	ZINC001119638767	766758054	/nfs/dbraw/zinc/75/80/54/766758054.db2.gz	WHRJINBPIOEAOW-SECBINFHSA-N	-1	0	316.404	0.822	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCNc2ccc(C#N)c(C)n2)c1[O-]	ZINC001093585419	768639604	/nfs/dbraw/zinc/63/96/04/768639604.db2.gz	KOMQHHPWUQGRCQ-UHFFFAOYSA-N	-1	0	300.322	0.841	20	30		DCEDRM
COC(=O)C[C@@H](C#N)c1ccc(OC(=O)[C@H](O)CC(=O)[O-])cc1	ZINC001230993765	769148746	/nfs/dbraw/zinc/14/87/46/769148746.db2.gz	CLMBIJASPNHZEE-CMPLNLGQSA-N	-1	0	321.285	0.598	20	30		DCEDRM
CO[C@@]1(C(=O)[N-]Oc2cccc(C#N)c2)CCS(=O)(=O)C1	ZINC001151437059	769342273	/nfs/dbraw/zinc/34/22/73/769342273.db2.gz	GKNPIYNTADEIJQ-ZDUSSCGKSA-N	-1	0	310.331	0.172	20	30		DCEDRM
C#CCCCCC(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001233763290	769445873	/nfs/dbraw/zinc/44/58/73/769445873.db2.gz	ZFFQRVOECCZGRV-GFCCVEGCSA-N	-1	0	305.382	0.737	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cn(C)ccc1=O	ZINC001234028348	769529730	/nfs/dbraw/zinc/52/97/30/769529730.db2.gz	DRHOJAGCPUFTPR-SNVBAGLBSA-N	-1	0	303.336	0.223	20	30		DCEDRM
CC(=O)O/N=C(/C)c1ccccc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001234841553	769719988	/nfs/dbraw/zinc/71/99/88/769719988.db2.gz	QOUWICDNUBSKLU-LWHXSLQUSA-N	-1	0	309.274	0.715	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1-n1c(N)c(C#N)c(N)nc1=NC1CC1	ZINC001174981628	769846953	/nfs/dbraw/zinc/84/69/53/769846953.db2.gz	PAARMJQJXBCEFT-UHFFFAOYSA-N	-1	0	324.344	0.978	20	30		DCEDRM
C[C@H]1[C@H](Nc2nc3c(cc2C#N)CCC3)C(=O)N1S(=O)(=O)[O-]	ZINC001157072205	771526949	/nfs/dbraw/zinc/52/69/49/771526949.db2.gz	AMUMGBJVQLHIES-CPCISQLKSA-N	-1	0	322.346	0.256	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC(=O)[C@@H](C#N)C1	ZINC001185896702	771968162	/nfs/dbraw/zinc/96/81/62/771968162.db2.gz	WXZUHCZFDDMKGH-NSHDSACASA-N	-1	0	322.342	0.797	20	30		DCEDRM
C=CCOC(=O)[C@@H](N)CCCCNc1nccnc1CC(=O)[O-]	ZINC001159924279	771978596	/nfs/dbraw/zinc/97/85/96/771978596.db2.gz	LAWAICOPXFQOCY-NSHDSACASA-N	-1	0	322.365	0.742	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001189242032	772441639	/nfs/dbraw/zinc/44/16/39/772441639.db2.gz	CWGYWVSCVREORP-RYUDHWBXSA-N	-1	0	323.397	0.524	20	30		DCEDRM
Cc1noc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1C(N)=O	ZINC001190616225	772645607	/nfs/dbraw/zinc/64/56/07/772645607.db2.gz	LMXZMKRBCNTWMC-UHFFFAOYSA-N	-1	0	324.293	0.894	20	30		DCEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)NCS(=O)(=O)[O-])c1	ZINC001190988901	772704612	/nfs/dbraw/zinc/70/46/12/772704612.db2.gz	LRMOFTWMVJXDDH-UHFFFAOYSA-N	-1	0	310.740	0.335	20	30		DCEDRM
N#C[C@@H]1CCCN1S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001192678095	772947375	/nfs/dbraw/zinc/94/73/75/772947375.db2.gz	CLCQQZMEGOVIHC-JTQLQIEISA-N	-1	0	310.331	0.827	20	30		DCEDRM
N#Cc1ccncc1C(=O)NC(=N)SCCS(=O)(=O)[O-]	ZINC001192979921	772992051	/nfs/dbraw/zinc/99/20/51/772992051.db2.gz	WMWUYUDJCXWLSZ-UHFFFAOYSA-N	-1	0	314.348	0.239	20	30		DCEDRM
COC(=O)Cc1c(F)ccc([N-]S(=O)(=O)CC#N)c1F	ZINC001192980135	772992056	/nfs/dbraw/zinc/99/20/56/772992056.db2.gz	CIRDRRIZLMRLLC-UHFFFAOYSA-N	-1	0	304.274	0.946	20	30		DCEDRM
COC(=O)c1cccc([N-]S(=O)(=O)CC#N)c1C(=O)OC	ZINC001192981126	772992185	/nfs/dbraw/zinc/99/21/85/772992185.db2.gz	XCPROARSQWGMDR-UHFFFAOYSA-N	-1	0	312.303	0.525	20	30		DCEDRM
COC(=O)c1ncc(=O)[nH]c1NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193516107	773076996	/nfs/dbraw/zinc/07/69/96/773076996.db2.gz	ZMDTVJBCXCVAQJ-UHFFFAOYSA-N	-1	0	314.257	0.798	20	30		DCEDRM
COC(=O)[C@@H](NC(=O)c1cccc(C#N)c1[O-])C1CCOCC1	ZINC001193657883	773098808	/nfs/dbraw/zinc/09/88/08/773098808.db2.gz	KBVRDDBIJZHRQB-ZDUSSCGKSA-N	-1	0	318.329	0.962	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@@H]2COCCC23OCCO3)c1[O-]	ZINC001193657875	773099379	/nfs/dbraw/zinc/09/93/79/773099379.db2.gz	JWPISUXZYQZAGX-GFCCVEGCSA-N	-1	0	304.302	0.526	20	30		DCEDRM
C=CCCOCC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001194382190	773184430	/nfs/dbraw/zinc/18/44/30/773184430.db2.gz	VAIFLCIKPVXCPU-LLVKDONJSA-N	-1	0	309.370	0.136	20	30		DCEDRM
COC(=O)c1ncc(=O)[nH]c1NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195764535	773470467	/nfs/dbraw/zinc/47/04/67/773470467.db2.gz	LWBPIYYGKUWFBZ-UHFFFAOYSA-N	-1	0	314.257	0.798	20	30		DCEDRM
COc1ncnc([N-]S(=O)(=O)c2ccc(O)cc2)c1C#N	ZINC001195772841	773472350	/nfs/dbraw/zinc/47/23/50/773472350.db2.gz	NYEQWZSXILIXKR-UHFFFAOYSA-N	-1	0	306.303	0.863	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccsc1C(=O)N1CCO[C@H](C#N)C1	ZINC001196731100	773642626	/nfs/dbraw/zinc/64/26/26/773642626.db2.gz	FPJLLDNIXSLRQN-MRVPVSSYSA-N	-1	0	315.376	0.484	20	30		DCEDRM
N#Cc1cc(-n2c(N)c(C#N)c(N)nc2=NC2CC2)ccc1[O-]	ZINC001210528159	773717822	/nfs/dbraw/zinc/71/78/22/773717822.db2.gz	YJZKQKJBYYEDDN-UHFFFAOYSA-N	-1	0	307.317	0.549	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCCN(CC#N)CC1	ZINC001198214612	773876096	/nfs/dbraw/zinc/87/60/96/773876096.db2.gz	SKXNYBDRPOXLMR-UHFFFAOYSA-N	-1	0	320.315	0.501	20	30		DCEDRM
C=CCNC(=O)N[C@]1(C(=O)[N-]S(=O)(=O)C2CC2)C[C@H]1C=C	ZINC001202577248	774964247	/nfs/dbraw/zinc/96/42/47/774964247.db2.gz	ALRGHJMRTFPEBV-NOZJJQNGSA-N	-1	0	313.379	0.025	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C)oc(=O)c1	ZINC001226959937	775902620	/nfs/dbraw/zinc/90/26/20/775902620.db2.gz	QOOBKNJENRTURF-LLVKDONJSA-N	-1	0	304.320	0.786	20	30		DCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccnc(C#N)c2)cc1	ZINC001206612729	776236282	/nfs/dbraw/zinc/23/62/82/776236282.db2.gz	BWWBUCFEMQCKOY-UHFFFAOYSA-N	-1	0	316.342	0.944	20	30		DCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC001602750494	1169178708	/nfs/dbraw/zinc/17/87/08/1169178708.db2.gz	TUVJWEYTUKXEGG-SNVBAGLBSA-N	-1	0	300.336	0.385	20	30		DCEDRM
C=C[C@@H](O)C(=O)O[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001602821300	1169187732	/nfs/dbraw/zinc/18/77/32/1169187732.db2.gz	ZHMXWKIWFFHOFD-BDAKNGLRSA-N	-1	0	311.315	0.642	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001602881342	1169197707	/nfs/dbraw/zinc/19/77/07/1169197707.db2.gz	QHILOQMABCMGGZ-IJLUTSLNSA-N	-1	0	313.350	0.832	20	30		DCEDRM
C=CCN1CC[C@H](N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])C1=O	ZINC001602897659	1169200402	/nfs/dbraw/zinc/20/04/02/1169200402.db2.gz	BWPDFZCDHCGVIR-GRYCIOLGSA-N	-1	0	310.350	0.112	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001317979354	945230987	/nfs/dbraw/zinc/23/09/87/945230987.db2.gz	IKQJSGYLCZOUKD-LBPRGKRZSA-N	-1	0	305.382	0.785	20	30		DCEDRM
C=C[C@@H](C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1	ZINC001481602285	939965075	/nfs/dbraw/zinc/96/50/75/939965075.db2.gz	AJZZAZKRGXZKHP-CYBMUJFWSA-N	-1	0	313.361	0.781	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001269221865	940652417	/nfs/dbraw/zinc/65/24/17/940652417.db2.gz	QGTWDTQRXUPFEM-RYUDHWBXSA-N	-1	0	323.397	0.524	20	30		DCEDRM
CCN(C(=O)C#CC1CC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001269325107	940682898	/nfs/dbraw/zinc/68/28/98/940682898.db2.gz	VHKIQMGICPPZRR-LBPRGKRZSA-N	-1	0	303.366	0.347	20	30		DCEDRM
C#CCN1CC2(CN(C(=O)c3ccc([S-])cc3)C2)OCC1=O	ZINC001269962139	940806413	/nfs/dbraw/zinc/80/64/13/940806413.db2.gz	DDNLBJBQAQRLGA-UHFFFAOYSA-N	-1	0	316.382	0.662	20	30		DCEDRM
C#CCN1CC[C@]2(CCN(C(=O)c3ccc(C#N)cc3[O-])C2)C1=O	ZINC001271837164	941462275	/nfs/dbraw/zinc/46/22/75/941462275.db2.gz	CAMPAOOHJQTFFZ-GOSISDBHSA-N	-1	0	323.352	0.962	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2C[C@H]2c2ccccc2)c(=O)[n-]c1=O	ZINC001412902255	942131336	/nfs/dbraw/zinc/13/13/36/942131336.db2.gz	WVTZNPFBHCZRPP-QWHCGFSZSA-N	-1	0	310.313	0.493	20	30		DCEDRM
C#CCCCCC(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001276367210	942404006	/nfs/dbraw/zinc/40/40/06/942404006.db2.gz	BLNNMIMXEMUSDP-LLVKDONJSA-N	-1	0	305.382	0.640	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCCc3occc3C2)c(=O)[n-]c1=O	ZINC001413061442	942443841	/nfs/dbraw/zinc/44/38/41/942443841.db2.gz	SQRISPZAZUEXJV-UHFFFAOYSA-N	-1	0	314.301	0.389	20	30		DCEDRM
C#CCN1C(=O)COCC12CN(C(=O)c1ccc(F)cc1[O-])C2	ZINC001272269365	942480767	/nfs/dbraw/zinc/48/07/67/942480767.db2.gz	VEHOMIPYNXYRQQ-UHFFFAOYSA-N	-1	0	318.304	0.218	20	30		DCEDRM
CCS(=O)(=O)C1(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001413306675	942617913	/nfs/dbraw/zinc/61/79/13/942617913.db2.gz	GMKBYYRJLNMPOF-UHFFFAOYSA-N	-1	0	323.374	0.664	20	30		DCEDRM
C=CCN1C(=O)C[C@@]2(CCCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1=O	ZINC001272283053	942661718	/nfs/dbraw/zinc/66/17/18/942661718.db2.gz	NMWKMTJMFDZTSF-OAHLLOKOSA-N	-1	0	318.333	0.283	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC([C@@H](F)C(N)=O)CC1	ZINC001413376269	942936360	/nfs/dbraw/zinc/93/63/60/942936360.db2.gz	XMIGDXNGVRJVSX-LLVKDONJSA-N	-1	0	320.324	0.643	20	30		DCEDRM
CC1(C)CO[C@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001413531796	943049602	/nfs/dbraw/zinc/04/96/02/943049602.db2.gz	QBWWHYPECSVBAZ-NSHDSACASA-N	-1	0	320.349	0.142	20	30		DCEDRM
N#Cc1cc(F)ccc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001611295785	970979867	/nfs/dbraw/zinc/97/98/67/970979867.db2.gz	GFJXTTRGBMTGFQ-GFCCVEGCSA-N	-1	0	312.322	0.381	20	30		DCEDRM
COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001491099537	943754688	/nfs/dbraw/zinc/75/46/88/943754688.db2.gz	CNOCMRJANYJCDF-AWEZNQCLSA-N	-1	0	317.389	0.879	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC3(C2)SCC[C@H]3C(N)=O)c([O-])c1	ZINC001276865079	944334057	/nfs/dbraw/zinc/33/40/57/944334057.db2.gz	PXIMINFTNQQKSY-NSHDSACASA-N	-1	0	317.370	0.697	20	30		DCEDRM
N#CCN[C@@H](CNC(=O)c1n[n-]c2ccccc2c1=O)C1CC1	ZINC001317023202	944743780	/nfs/dbraw/zinc/74/37/80/944743780.db2.gz	BQYPVKFQBZFGKH-ZDUSSCGKSA-N	-1	0	311.345	0.957	20	30		DCEDRM
C=CCCOCC(=O)N(CC)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001318493219	945387165	/nfs/dbraw/zinc/38/71/65/945387165.db2.gz	YBXSOEGGNDJOTR-GFCCVEGCSA-N	-1	0	323.397	0.526	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NN=c2[n-]ncc(N)c2Cl)c1	ZINC001253085678	946056240	/nfs/dbraw/zinc/05/62/40/946056240.db2.gz	INVPXGSUYUGWQU-UHFFFAOYSA-N	-1	0	324.753	0.889	20	30		DCEDRM
C=C[C@H]1C[C@@]1([N-]S(=O)(=O)CC(F)(F)F)C(=O)OCC	ZINC001253228785	946099405	/nfs/dbraw/zinc/09/94/05/946099405.db2.gz	LMEOBDKKVZFPER-CBAPKCEASA-N	-1	0	301.286	0.976	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1	ZINC001321288615	946252864	/nfs/dbraw/zinc/25/28/64/946252864.db2.gz	FRIGFAYPVLWOGI-JXSWWZISSA-N	-1	0	321.381	0.254	20	30		DCEDRM
C=CC[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)C(=O)[O-]	ZINC001321339971	946284129	/nfs/dbraw/zinc/28/41/29/946284129.db2.gz	TYZVPAOCZYMPIU-GFCCVEGCSA-N	-1	0	304.350	0.839	20	30		DCEDRM
C#CC[S@](=O)Cc1cn(Cc2ccc(C(=O)[O-])cc2)nn1	ZINC001254099049	946315616	/nfs/dbraw/zinc/31/56/16/946315616.db2.gz	RNELNMABXUZCRO-NRFANRHFSA-N	-1	0	303.343	0.907	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2ncccc2c1	ZINC001602678572	971256139	/nfs/dbraw/zinc/25/61/39/971256139.db2.gz	BTANLARQTIHMGP-UHFFFAOYSA-N	-1	0	311.297	0.720	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(OC)nc1CC	ZINC001602679828	971262452	/nfs/dbraw/zinc/26/24/52/971262452.db2.gz	WIKFOEOSDABNDU-UHFFFAOYSA-N	-1	0	319.317	0.138	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H](C(C)C)N1CCOCC1	ZINC001602683566	971274384	/nfs/dbraw/zinc/27/43/84/971274384.db2.gz	FVBFXHSPWQWNDE-ZDUSSCGKSA-N	-1	0	311.382	0.073	20	30		DCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccccc2C#N)c2ncnc1-2	ZINC001258184832	946809975	/nfs/dbraw/zinc/80/99/75/946809975.db2.gz	BECOHGKGZDOJMC-UHFFFAOYSA-N	-1	0	314.330	0.987	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1nccn2cnnc12	ZINC001258201868	946810436	/nfs/dbraw/zinc/81/04/36/946810436.db2.gz	OPQLKYFOMJTSSW-UHFFFAOYSA-N	-1	0	300.303	0.797	20	30		DCEDRM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ncn(C)c1C#N	ZINC001258360507	946826303	/nfs/dbraw/zinc/82/63/03/946826303.db2.gz	DRLWZGNFAQZZNB-UHFFFAOYSA-N	-1	0	314.758	0.788	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1cccc(C(=O)NC)c1	ZINC001602686179	971286178	/nfs/dbraw/zinc/28/61/78/971286178.db2.gz	TWVGJYMUQDFVHY-UHFFFAOYSA-N	-1	0	317.345	0.318	20	30		DCEDRM
COC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC001259118381	946915906	/nfs/dbraw/zinc/91/59/06/946915906.db2.gz	NBBCAADVBYVQAH-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C)nc2c1c(C)nn2C	ZINC001602691778	971298963	/nfs/dbraw/zinc/29/89/63/971298963.db2.gz	YPVAMWADUKOYRI-UHFFFAOYSA-N	-1	0	300.318	0.745	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)[N-]c2oncc2C(N)=O)ccc1F	ZINC001259413097	946955183	/nfs/dbraw/zinc/95/51/83/946955183.db2.gz	ROKDXGZJSKBNQV-UHFFFAOYSA-N	-1	0	310.266	0.585	20	30		DCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC001259844468	947000093	/nfs/dbraw/zinc/00/00/93/947000093.db2.gz	TXPLFPKELSDXQS-UHFFFAOYSA-N	-1	0	306.303	0.821	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1	ZINC001602695596	971310077	/nfs/dbraw/zinc/31/00/77/971310077.db2.gz	LWGKWJMQNYKVAA-LLVKDONJSA-N	-1	0	317.345	0.992	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]c2ncccc2C(N)=O)cc1	ZINC001260038458	947051977	/nfs/dbraw/zinc/05/19/77/947051977.db2.gz	HQVMYTMVUCZKIG-UHFFFAOYSA-N	-1	0	316.342	0.994	20	30		DCEDRM
N#CCCC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260180733	947079267	/nfs/dbraw/zinc/07/92/67/947079267.db2.gz	XQXLATCHCQCSMA-UHFFFAOYSA-N	-1	0	300.731	0.360	20	30		DCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC001260436099	947102555	/nfs/dbraw/zinc/10/25/55/947102555.db2.gz	MIEGZQOEQOJZQA-UHFFFAOYSA-N	-1	0	302.275	0.685	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1ccc(Cl)nc1C#N	ZINC001260583445	947116229	/nfs/dbraw/zinc/11/62/29/947116229.db2.gz	FBFHUNIWGBFMRP-UHFFFAOYSA-N	-1	0	309.756	0.350	20	30		DCEDRM
COC(=O)c1cc([N-]S(=O)(=O)c2cn[nH]c2)ccc1C#N	ZINC001260961590	947159397	/nfs/dbraw/zinc/15/93/97/947159397.db2.gz	HCZRPQIPYXWHPR-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)[N-]OC2CCOCC2)cc1	ZINC001323968961	947269198	/nfs/dbraw/zinc/26/91/98/947269198.db2.gz	PNMHITTVZDTABQ-UHFFFAOYSA-N	-1	0	303.318	0.401	20	30		DCEDRM
CC[C@@H](NN=Cc1cnc(N2CCN(C)CC2)nc1)C(=O)[O-]	ZINC001324103834	947312772	/nfs/dbraw/zinc/31/27/72/947312772.db2.gz	XYNAFFSJNLLVOF-GFCCVEGCSA-N	-1	0	306.370	0.015	20	30		DCEDRM
C=CC[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(=O)OCC	ZINC001602718411	971374564	/nfs/dbraw/zinc/37/45/64/971374564.db2.gz	LULOPTOZEMDBEQ-NSHDSACASA-N	-1	0	322.317	0.171	20	30		DCEDRM
C=CCCS(=O)(=O)N[C@H](CCC(=O)[O-])CN1CCOCC1	ZINC001261888447	947472679	/nfs/dbraw/zinc/47/26/79/947472679.db2.gz	PXQNGFUHFKANBF-GFCCVEGCSA-N	-1	0	320.411	0.048	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1	ZINC001602723095	971393113	/nfs/dbraw/zinc/39/31/13/971393113.db2.gz	LOEUTMQNMDCJKL-LLVKDONJSA-N	-1	0	306.318	0.350	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@@H](COC)C1	ZINC001262969809	947791772	/nfs/dbraw/zinc/79/17/72/947791772.db2.gz	RIPKMWDOGTUPDO-LLVKDONJSA-N	-1	0	318.381	0.551	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H]2CSC[C@@H]2C1	ZINC001262969977	947792506	/nfs/dbraw/zinc/79/25/06/947792506.db2.gz	WMYITSDSMBPFLO-AOOOYVTPSA-N	-1	0	318.406	0.487	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccnc2c1nnn2C	ZINC001263382068	947837155	/nfs/dbraw/zinc/83/71/55/947837155.db2.gz	MKFFCVVZJGULCG-SECBINFHSA-N	-1	0	309.289	0.302	20	30		DCEDRM
C=CCCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001326572169	948202306	/nfs/dbraw/zinc/20/23/06/948202306.db2.gz	JYFOSVQJMAULCW-UHFFFAOYSA-N	-1	0	305.382	0.901	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1	ZINC001326797552	948279945	/nfs/dbraw/zinc/27/99/45/948279945.db2.gz	PWJRXGOPQKDRQN-SECBINFHSA-N	-1	0	301.320	0.943	20	30		DCEDRM
C=C[C@H](CC)CC(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001487979213	948400879	/nfs/dbraw/zinc/40/08/79/948400879.db2.gz	VGCBDKCNNZAULY-MNOVXSKESA-N	-1	0	324.381	0.233	20	30		DCEDRM
O=C([O-])C1(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC=CC1	ZINC001327944222	948671293	/nfs/dbraw/zinc/67/12/93/948671293.db2.gz	DUDFBPZNBKOPJU-QXMHVHEDSA-N	-1	0	319.317	0.050	20	30		DCEDRM
C#CCCCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001328169099	948730152	/nfs/dbraw/zinc/73/01/52/948730152.db2.gz	CVNSKYJMFYMQAO-UHFFFAOYSA-N	-1	0	316.379	0.121	20	30		DCEDRM
C[C@@]1(Br)C[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC001329026012	949297484	/nfs/dbraw/zinc/29/74/84/949297484.db2.gz	CWZGITJKLWWRNY-VXNVDRBHSA-N	-1	0	321.196	0.910	20	30		DCEDRM
C[C@]1(Br)C[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC001329026003	949297575	/nfs/dbraw/zinc/29/75/75/949297575.db2.gz	CWZGITJKLWWRNY-APPZFPTMSA-N	-1	0	321.196	0.910	20	30		DCEDRM
C=CCCn1cc(CN[C@@H](Cn2nc(C)cc2C)C(=O)[O-])nn1	ZINC001329355613	949527510	/nfs/dbraw/zinc/52/75/10/949527510.db2.gz	XCZXHGCMXFRCOB-AWEZNQCLSA-N	-1	0	318.381	0.911	20	30		DCEDRM
C[C@H]1CC[C@@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001364742711	949856937	/nfs/dbraw/zinc/85/69/37/949856937.db2.gz	GIYVPMNOWSKGFI-GXSJLCMTSA-N	-1	0	305.338	0.308	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001329973575	950023563	/nfs/dbraw/zinc/02/35/63/950023563.db2.gz	VOYNMGIMOGDMKN-WDEREUQCSA-N	-1	0	323.397	0.428	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@H](C(=O)OC(C)(C)C)C2)c(C#N)c1=O	ZINC001365213808	950749347	/nfs/dbraw/zinc/74/93/47/950749347.db2.gz	COQYNXAZHLFYKH-VIFPVBQESA-N	-1	0	320.349	0.113	20	30		DCEDRM
O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCC#C[C@@H]2CCCCO2)CO1	ZINC001595002309	951146929	/nfs/dbraw/zinc/14/69/29/951146929.db2.gz	SCPCEBNMWXOFEI-HZSPNIEDSA-N	-1	0	309.362	0.945	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CN(C)Cc1ccccc1)C(=O)[O-]	ZINC001332147188	951499332	/nfs/dbraw/zinc/49/93/32/951499332.db2.gz	DJDLFLCWXLOHQB-CQSZACIVSA-N	-1	0	306.362	0.890	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)NCc1ccccc1C(=O)[O-]	ZINC001333845285	952173792	/nfs/dbraw/zinc/17/37/92/952173792.db2.gz	BEUXJCTVPXKJDK-UHFFFAOYSA-N	-1	0	320.345	0.662	20	30		DCEDRM
Cc1csc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001411668990	952371879	/nfs/dbraw/zinc/37/18/79/952371879.db2.gz	UKMZBBYSGBCXHC-UHFFFAOYSA-N	-1	0	305.319	0.614	20	30		DCEDRM
C[C@@H]1CC(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)=NO1	ZINC001412009873	952597980	/nfs/dbraw/zinc/59/79/80/952597980.db2.gz	TVCHUYUPLJEEPA-SSDOTTSWSA-N	-1	0	303.278	0.118	20	30		DCEDRM
CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CC1(C)C	ZINC001412257922	952721609	/nfs/dbraw/zinc/72/16/09/952721609.db2.gz	MJYGGBDXEKBDDF-GHMZBOCLSA-N	-1	0	304.350	0.761	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c(=O)[n-]c1=O	ZINC001412336693	952751724	/nfs/dbraw/zinc/75/17/24/952751724.db2.gz	SDZPBIVOPBPCTH-BBBLOLIVSA-N	-1	0	324.287	0.371	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H](CNC(=O)[C@@H](C)C#N)C2CC2)c1[O-]	ZINC001412357754	952761295	/nfs/dbraw/zinc/76/12/95/952761295.db2.gz	BXRCJHBGVWEFPS-GZMMTYOYSA-N	-1	0	319.365	0.550	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001337127306	952814649	/nfs/dbraw/zinc/81/46/49/952814649.db2.gz	BHPWIXIJIAQGPD-MWLCHTKSSA-N	-1	0	322.365	0.039	20	30		DCEDRM
N#Cc1cc(C(=O)N2C[C@H]3C[C@H](CC(N)=O)O[C@H]3C2)ccc1[O-]	ZINC001276156158	952952049	/nfs/dbraw/zinc/95/20/49/952952049.db2.gz	QKZHWSLZSMMALJ-BZPMIXESSA-N	-1	0	315.329	0.369	20	30		DCEDRM
CC1(C)CC[C@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001412696253	953002820	/nfs/dbraw/zinc/00/28/20/953002820.db2.gz	WBJXKJHIHRQUDE-NSHDSACASA-N	-1	0	304.350	0.906	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CCn3cc(C(N)=O)nc3C2)c1[O-]	ZINC001276215936	953012217	/nfs/dbraw/zinc/01/22/17/953012217.db2.gz	SHFPCIINCKVXDU-UHFFFAOYSA-N	-1	0	311.301	0.215	20	30		DCEDRM
CNc1cc(C([O-])=C(C#N)C(=O)NCCOC)cc(Cl)n1	ZINC001341884579	953256464	/nfs/dbraw/zinc/25/64/64/953256464.db2.gz	AFFWUQXRLOHIBR-SECBINFHSA-N	-1	0	310.741	0.862	20	30		DCEDRM
C#C[C@H]1CCCCN1c1nnc(-c2cc(=O)[nH][n-]2)n1CCOC	ZINC001342030143	953265208	/nfs/dbraw/zinc/26/52/08/953265208.db2.gz	KTASXXAUYDGASR-NSHDSACASA-N	-1	0	316.365	0.141	20	30		DCEDRM
CN(C)C(=O)Cn1cc(C([O-])=C(C#N)c2cccc(F)n2)nn1	ZINC001342559913	953296141	/nfs/dbraw/zinc/29/61/41/953296141.db2.gz	CZJKBCDQLLSOKO-VIFPVBQESA-N	-1	0	316.296	0.390	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@H]2CC[C@@H](C1)O2	ZINC001342911785	953313730	/nfs/dbraw/zinc/31/37/30/953313730.db2.gz	NDQHBHLQVGWERG-PHIMTYICSA-N	-1	0	316.365	0.446	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1noc2c1COCC2	ZINC001343412226	953344693	/nfs/dbraw/zinc/34/46/93/953344693.db2.gz	YGPDJAMBUVLHCF-SECBINFHSA-N	-1	0	307.306	0.222	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1csc(S(C)(=O)=O)c1	ZINC001343456809	953347257	/nfs/dbraw/zinc/34/72/57/953347257.db2.gz	WHGONCQMALADQG-VIFPVBQESA-N	-1	0	312.372	0.776	20	30		DCEDRM
CCOC(=O)c1csc(C(C#N)=C([O-])c2ncn(C)n2)n1	ZINC001343479038	953348803	/nfs/dbraw/zinc/34/88/03/953348803.db2.gz	VRLNBIZSIOAJLE-SSDOTTSWSA-N	-1	0	305.319	0.938	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1	ZINC001589266739	953374891	/nfs/dbraw/zinc/37/48/91/953374891.db2.gz	VMCLAQOASADCBA-FRRDWIJNSA-N	-1	0	321.377	0.708	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(CC2(C)COC2)nn1	ZINC001346065871	953795861	/nfs/dbraw/zinc/79/58/61/953795861.db2.gz	YKDJRTMVUGZXPB-SNVBAGLBSA-N	-1	0	305.338	0.162	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cn2c(n1)COCC2	ZINC001346121474	953805949	/nfs/dbraw/zinc/80/59/49/953805949.db2.gz	BKPGKOXLHPVYLN-NSHDSACASA-N	-1	0	320.349	0.279	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001593751329	954416010	/nfs/dbraw/zinc/41/60/10/954416010.db2.gz	WXXGQESERWLVHM-KYZUINATSA-N	-1	0	320.353	0.301	20	30		DCEDRM
C[C@H]1CS(=O)(=O)CCCN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589408186	954483803	/nfs/dbraw/zinc/48/38/03/954483803.db2.gz	ALUVXDKPPHEWMS-JOYOIKCWSA-N	-1	0	302.352	0.027	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC001349110045	954605411	/nfs/dbraw/zinc/60/54/11/954605411.db2.gz	PZWWKDGNHRPLFW-NWDGAFQWSA-N	-1	0	318.395	0.305	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001284229044	954945136	/nfs/dbraw/zinc/94/51/36/954945136.db2.gz	RFJMFMGLMXURMB-WPRPVWTQSA-N	-1	0	310.354	0.249	20	30		DCEDRM
CC[C@@H](CNC(=O)C(=O)N(C)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC001589514419	955057571	/nfs/dbraw/zinc/05/75/71/955057571.db2.gz	IQMGJCWGKADZOD-ZDUSSCGKSA-N	-1	0	317.345	0.744	20	30		DCEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC(=O)[N-]OCC	ZINC001350878537	955210929	/nfs/dbraw/zinc/21/09/29/955210929.db2.gz	PMQCYTVNFSPIRR-NWDGAFQWSA-N	-1	0	311.382	0.421	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001593846851	955428305	/nfs/dbraw/zinc/42/83/05/955428305.db2.gz	ZLCRVFMFKSHPPD-AAEUAGOBSA-N	-1	0	320.301	0.114	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)c1ccc(C#N)cc1OC)C(=O)[O-]	ZINC001593847004	955428338	/nfs/dbraw/zinc/42/83/38/955428338.db2.gz	BJENXCKPTCSDRZ-NSHDSACASA-N	-1	0	320.301	0.703	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)c2occc2C(=O)[O-])C1	ZINC001352083627	955509738	/nfs/dbraw/zinc/50/97/38/955509738.db2.gz	AUUBPKBCLBXZPC-VIFPVBQESA-N	-1	0	301.320	0.943	20	30		DCEDRM
Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)NCCCC#N)C2)cn1	ZINC001594539171	955614887	/nfs/dbraw/zinc/61/48/87/955614887.db2.gz	HVRJNATYQHDENY-NWDGAFQWSA-N	-1	0	319.365	0.924	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1	ZINC001593906447	955921609	/nfs/dbraw/zinc/92/16/09/955921609.db2.gz	XFVJUTWVDZMKPT-ZIAGYGMSSA-N	-1	0	317.345	0.495	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC001593918006	956046319	/nfs/dbraw/zinc/04/63/19/956046319.db2.gz	KEJTWJQLIMQNTA-XHDPSFHLSA-N	-1	0	319.317	0.423	20	30		DCEDRM
CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]2)C1	ZINC001413859339	956068628	/nfs/dbraw/zinc/06/86/28/956068628.db2.gz	UXVXZKMGOSPQTL-LBPRGKRZSA-N	-1	0	312.333	0.733	20	30		DCEDRM
N#CC1(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCSCC1	ZINC001594601504	956134968	/nfs/dbraw/zinc/13/49/68/956134968.db2.gz	MVRWYDBZYWYYMB-HZMBPMFUSA-N	-1	0	310.375	0.583	20	30		DCEDRM
N#CCC1(CNC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1	ZINC001594606092	956177298	/nfs/dbraw/zinc/17/72/98/956177298.db2.gz	OGOOXUFTPZJLJL-NSHDSACASA-N	-1	0	322.365	0.445	20	30		DCEDRM
N#CCC1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1	ZINC001594606266	956179620	/nfs/dbraw/zinc/17/96/20/956179620.db2.gz	QZSJQJZZIYTBJU-UHFFFAOYSA-N	-1	0	321.377	0.898	20	30		DCEDRM
N#C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1	ZINC001594606471	956184009	/nfs/dbraw/zinc/18/40/09/956184009.db2.gz	XWRARFSZAPTOKP-CHWSQXEVSA-N	-1	0	321.377	0.852	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001354040311	956257578	/nfs/dbraw/zinc/25/75/78/956257578.db2.gz	BQUSDCOJIDDACX-DGCLKSJQSA-N	-1	0	321.381	0.717	20	30		DCEDRM
N#Cc1ccc(OC2CN(C(=O)[C@]3(C(=O)[O-])CCCO3)C2)cc1	ZINC001594623801	956298642	/nfs/dbraw/zinc/29/86/42/956298642.db2.gz	JBQSRBNFJKZRQZ-INIZCTEOSA-N	-1	0	316.313	0.782	20	30		DCEDRM
N#Cc1ccncc1N1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1	ZINC001594631338	956340639	/nfs/dbraw/zinc/34/06/39/956340639.db2.gz	AUFMRZICCMJZOV-UHFFFAOYSA-N	-1	0	314.345	0.857	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(Cc2cccc(Cl)c2)c1=O	ZINC001594632894	956355050	/nfs/dbraw/zinc/35/50/50/956355050.db2.gz	HGFWHLKUSBZDKT-UHFFFAOYSA-N	-1	0	319.704	0.668	20	30		DCEDRM
N#Cc1cncc(CNC(=O)c2cccn(CC(=O)[O-])c2=O)c1	ZINC001594633388	956357881	/nfs/dbraw/zinc/35/78/81/956357881.db2.gz	RNPGAEXBTHZOSQ-UHFFFAOYSA-N	-1	0	312.285	0.130	20	30		DCEDRM
N#Cc1sccc1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001594634977	956365727	/nfs/dbraw/zinc/36/57/27/956365727.db2.gz	FCSMPDNTCQDDIG-JTQLQIEISA-N	-1	0	321.358	0.815	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001287593512	956402168	/nfs/dbraw/zinc/40/21/68/956402168.db2.gz	GQTKXRSFNMWUSV-KOLCDFICSA-N	-1	0	324.381	0.592	20	30		DCEDRM
NS(=O)(=O)c1ccc(NN=Cc2cccn2CC(=O)[O-])cc1	ZINC001594659160	956517514	/nfs/dbraw/zinc/51/75/14/956517514.db2.gz	CUWPMKLWDGIPHK-UHFFFAOYSA-N	-1	0	322.346	0.666	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)C1	ZINC001593976073	956665473	/nfs/dbraw/zinc/66/54/73/956665473.db2.gz	URIVKMNOBMENRC-CQSZACIVSA-N	-1	0	320.305	0.976	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2cc(C)c(C#N)cn2)CCO1	ZINC001593980018	956707563	/nfs/dbraw/zinc/70/75/63/956707563.db2.gz	LXXDGKDZQLMGFL-HNNXBMFYSA-N	-1	0	319.317	0.204	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(c2ccc(Cl)c(C#N)n2)CCO1	ZINC001593983715	956737238	/nfs/dbraw/zinc/73/72/38/956737238.db2.gz	BOHLKEXYZGZOKE-CYBMUJFWSA-N	-1	0	311.725	0.913	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)n(C)n1	ZINC001356220236	956800773	/nfs/dbraw/zinc/80/07/73/956800773.db2.gz	DCEZRZBNJJDNPK-VIFPVBQESA-N	-1	0	312.757	0.939	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1	ZINC001589265326	957075703	/nfs/dbraw/zinc/07/57/03/957075703.db2.gz	FNIFMNODQDZHAE-GRYCIOLGSA-N	-1	0	307.350	0.318	20	30		DCEDRM
CS(=O)(=O)Cc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC001357544483	957316200	/nfs/dbraw/zinc/31/62/00/957316200.db2.gz	RKFZJECOYQBWHF-ZDUSSCGKSA-N	-1	0	320.370	0.832	20	30		DCEDRM
C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1	ZINC001603166208	972262792	/nfs/dbraw/zinc/26/27/92/972262792.db2.gz	GRIBZKRFPSMJTO-OHTBPHCPSA-N	-1	0	311.382	0.605	20	30		DCEDRM
C=CCCC(=O)N1CC[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001295687287	957786901	/nfs/dbraw/zinc/78/69/01/957786901.db2.gz	JDNZBWICPHDMFQ-LLVKDONJSA-N	-1	0	306.366	0.968	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588389540	958009233	/nfs/dbraw/zinc/00/92/33/958009233.db2.gz	WLLMADKBHLBCRX-JTQLQIEISA-N	-1	0	304.302	0.478	20	30		DCEDRM
C#CCCCc1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1	ZINC001588391001	958019161	/nfs/dbraw/zinc/01/91/61/958019161.db2.gz	ZHDGZLHCTYCHFK-UHFFFAOYSA-N	-1	0	304.262	0.039	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(COC)cc1	ZINC001588395528	958042065	/nfs/dbraw/zinc/04/20/65/958042065.db2.gz	NIWZBNRJDIDYPE-UHFFFAOYSA-N	-1	0	304.302	0.318	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc(OC)c1F	ZINC001588397632	958060569	/nfs/dbraw/zinc/06/05/69/958060569.db2.gz	ORKAWCXCQUESIB-UHFFFAOYSA-N	-1	0	308.265	0.319	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C(=O)OCC)c1ccccc1	ZINC001588397922	958067167	/nfs/dbraw/zinc/06/71/67/958067167.db2.gz	YQYSEMDFHDECGW-AWEZNQCLSA-N	-1	0	303.314	0.880	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C	ZINC001588399902	958077697	/nfs/dbraw/zinc/07/76/97/958077697.db2.gz	PYDTVLUYTSBAQF-LBPRGKRZSA-N	-1	0	308.378	0.960	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1	ZINC001588400314	958081613	/nfs/dbraw/zinc/08/16/13/958081613.db2.gz	VNPIDEBJZKOGOI-LLVKDONJSA-N	-1	0	318.304	0.725	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1	ZINC001588400412	958082463	/nfs/dbraw/zinc/08/24/63/958082463.db2.gz	XAGTYEMHJKSIFR-ZDUSSCGKSA-N	-1	0	304.277	0.865	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CNC(=O)NCc1ccc(F)cc1	ZINC001588402323	958089862	/nfs/dbraw/zinc/08/98/62/958089862.db2.gz	REWKPDWIBYMUNY-UHFFFAOYSA-N	-1	0	321.308	0.171	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CNc1ccc(S(C)(=O)=O)cc1	ZINC001588407919	958104357	/nfs/dbraw/zinc/10/43/57/958104357.db2.gz	ZDJMXWPBMRJKFU-UHFFFAOYSA-N	-1	0	324.358	0.048	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2	ZINC001588412350	958149989	/nfs/dbraw/zinc/14/99/89/958149989.db2.gz	BNQOVNJENFGQKF-VIFPVBQESA-N	-1	0	317.301	0.958	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(C(=O)NC(C)C)cc1	ZINC001588416879	958166365	/nfs/dbraw/zinc/16/63/65/958166365.db2.gz	WBJXJZYXIAEJAB-UHFFFAOYSA-N	-1	0	302.330	0.985	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C)nc2c1c(=O)[nH]n2C	ZINC001588417219	958167792	/nfs/dbraw/zinc/16/77/92/958167792.db2.gz	CEJUVSSOFPTLNN-UHFFFAOYSA-N	-1	0	302.290	0.142	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1csc(-c2cnccn2)n1	ZINC001588418595	958182213	/nfs/dbraw/zinc/18/22/13/958182213.db2.gz	NJTINSNTNBSIGE-UHFFFAOYSA-N	-1	0	302.315	0.760	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)CC)cc1N	ZINC001588418816	958186808	/nfs/dbraw/zinc/18/68/08/958186808.db2.gz	GOCIBTYMHNESSH-UHFFFAOYSA-N	-1	0	324.358	0.222	20	30		DCEDRM
CCCN(CC(=O)N(C)C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001361681209	958208888	/nfs/dbraw/zinc/20/88/88/958208888.db2.gz	KMWJWHUZAABVHH-UHFFFAOYSA-N	-1	0	304.350	0.908	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H]1CC2(CCC2)CO1	ZINC001588425328	958225143	/nfs/dbraw/zinc/22/51/43/958225143.db2.gz	NNXWUAXSUBPFAF-LLVKDONJSA-N	-1	0	301.364	0.295	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CCC)n1C[C@@H]1CCOC1	ZINC001588427334	958244060	/nfs/dbraw/zinc/24/40/60/958244060.db2.gz	UMILQOCLHJRABQ-LBPRGKRZSA-N	-1	0	306.366	0.791	20	30		DCEDRM
C#CCOCCNC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588430985	958264955	/nfs/dbraw/zinc/26/49/55/958264955.db2.gz	IXODHXGVYUTCQY-MQYJIDSJSA-N	-1	0	310.350	0.348	20	30		DCEDRM
COc1ccc([C@H](CO)CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC001594080868	958266362	/nfs/dbraw/zinc/26/63/62/958266362.db2.gz	UUZGQDRDYZMSRL-BLLLJJGKSA-N	-1	0	320.345	0.892	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001588433070	958290904	/nfs/dbraw/zinc/29/09/04/958290904.db2.gz	COJRKHUOSDJZBD-UHFFFAOYSA-N	-1	0	318.264	0.766	20	30		DCEDRM
C#Cc1cnc(N2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)nc1	ZINC001588439064	958309136	/nfs/dbraw/zinc/30/91/36/958309136.db2.gz	HLXCTBVYPSFWJZ-OLZOCXBDSA-N	-1	0	311.345	0.886	20	30		DCEDRM
C#Cc1ccc(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cc1	ZINC001588439389	958316305	/nfs/dbraw/zinc/31/63/05/958316305.db2.gz	ULUKVYJTMHEQNE-CQSZACIVSA-N	-1	0	314.341	0.607	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN1CCOC[C@@H]1C	ZINC001361799339	958344432	/nfs/dbraw/zinc/34/44/32/958344432.db2.gz	TUGRCLTUQWHRIF-NSHDSACASA-N	-1	0	304.350	0.418	20	30		DCEDRM
COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@H](C)C(=O)[O-])cc1	ZINC001594094397	958389317	/nfs/dbraw/zinc/38/93/17/958389317.db2.gz	LJVSCFPJSGCKLD-JOYOIKCWSA-N	-1	0	304.302	0.741	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001588450808	958400614	/nfs/dbraw/zinc/40/06/14/958400614.db2.gz	CURPPVFZYKZOET-GFCCVEGCSA-N	-1	0	306.318	0.318	20	30		DCEDRM
COc1ccc(Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)cc1	ZINC001594098438	958419173	/nfs/dbraw/zinc/41/91/73/958419173.db2.gz	PESXZBZOPVFPEL-UHFFFAOYSA-N	-1	0	315.285	0.023	20	30		DCEDRM
C=CC[C@H](NC(=O)C1(CC(=O)[O-])CCOCC1)C(=O)OCC	ZINC001588453264	958434762	/nfs/dbraw/zinc/43/47/62/958434762.db2.gz	TWIXEUFGWOVWIE-NSHDSACASA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=CC[C@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c1ccncc1	ZINC001588453504	958439944	/nfs/dbraw/zinc/43/99/44/958439944.db2.gz	ZHOMNLNHXGLNDM-AAEUAGOBSA-N	-1	0	319.361	0.994	20	30		DCEDRM
C=CCCCNC(=O)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588460026	958471390	/nfs/dbraw/zinc/47/13/90/958471390.db2.gz	RSNLMIDKTUFFGW-BWBHSNQOSA-N	-1	0	324.377	0.597	20	30		DCEDRM
C=CCN(CCC#N)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588463551	958486047	/nfs/dbraw/zinc/48/60/47/958486047.db2.gz	YVJZBIZOORJUEK-UHFFFAOYSA-N	-1	0	314.363	0.194	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)C(=O)OC	ZINC001588465074	958495093	/nfs/dbraw/zinc/49/50/93/958495093.db2.gz	GNWZSEFJAVPRBB-LLVKDONJSA-N	-1	0	308.290	0.254	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc(C(=O)[O-])c1)C(=O)OC	ZINC001588465187	958497765	/nfs/dbraw/zinc/49/77/65/958497765.db2.gz	PBBZAEFERNVZEB-LBPRGKRZSA-N	-1	0	307.302	0.859	20	30		DCEDRM
C=CCn1c(Cc2nc(C)no2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588472938	958548366	/nfs/dbraw/zinc/54/83/66/958548366.db2.gz	VAJWSRZURKPUCT-SNVBAGLBSA-N	-1	0	318.337	0.657	20	30		DCEDRM
C=CCn1c([C@H](O)COC)nnc1N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC001588473369	958551762	/nfs/dbraw/zinc/55/17/62/958551762.db2.gz	YKFUMRQLPJQXTB-SDDRHHMPSA-N	-1	0	324.381	0.691	20	30		DCEDRM
N#Cc1ccccc1CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC000126279350	958584243	/nfs/dbraw/zinc/58/42/43/958584243.db2.gz	DHCPCLAREZJLRF-CYBMUJFWSA-N	-1	0	308.359	0.632	20	30		DCEDRM
CC(=O)NCC[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001588502113	958711409	/nfs/dbraw/zinc/71/14/09/958711409.db2.gz	OEANGKVZGHYAQV-DOMZBBRYSA-N	-1	0	309.366	0.756	20	30		DCEDRM
COCCN(CC#N)C(=O)c1nc[n-]c(=O)c1Br	ZINC001298930308	958748068	/nfs/dbraw/zinc/74/80/68/958748068.db2.gz	RTCBQHVFQZGOFU-UHFFFAOYSA-N	-1	0	315.127	0.557	20	30		DCEDRM
CCC(CC)[C@H](O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362106483	958748844	/nfs/dbraw/zinc/74/88/44/958748844.db2.gz	HRHRAMASXAEBGV-GFCCVEGCSA-N	-1	0	322.365	0.124	20	30		DCEDRM
COc1ncccc1C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001594159184	958866749	/nfs/dbraw/zinc/86/67/49/958866749.db2.gz	HNTRDDIWKRKUKN-CQSZACIVSA-N	-1	0	306.274	0.821	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1COc2ccccc2[C@@H]1O	ZINC001588538316	958940921	/nfs/dbraw/zinc/94/09/21/958940921.db2.gz	GTHPOKFJVIUJOD-VZJVUDMVSA-N	-1	0	304.302	0.602	20	30		DCEDRM
C[C@H](C#N)CNC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001588543498	958979451	/nfs/dbraw/zinc/97/94/51/958979451.db2.gz	MYAUNIYNZIUKKF-GHMZBOCLSA-N	-1	0	322.365	0.253	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](C)CN1CCOCC1	ZINC001362262958	959029936	/nfs/dbraw/zinc/02/99/36/959029936.db2.gz	BCWNZEZQUVZEGN-NSHDSACASA-N	-1	0	318.377	0.665	20	30		DCEDRM
CNC(=O)[C@H](CC(C)C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362289523	959078727	/nfs/dbraw/zinc/07/87/27/959078727.db2.gz	DXZWPYLYRYNMEG-NSHDSACASA-N	-1	0	304.350	0.858	20	30		DCEDRM
C[C@@H]1CC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H](C)C1	ZINC001362293881	959085588	/nfs/dbraw/zinc/08/55/88/959085588.db2.gz	PWIGOCGIZDVWNB-JFGNBEQYSA-N	-1	0	304.350	0.761	20	30		DCEDRM
Cc1nc(C#N)cc(N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1	ZINC001594445339	959324476	/nfs/dbraw/zinc/32/44/76/959324476.db2.gz	VLZJXKWPWQFXCL-LLVKDONJSA-N	-1	0	303.322	0.534	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](O)COCC1CC1	ZINC001362444946	959370574	/nfs/dbraw/zinc/37/05/74/959370574.db2.gz	HUZHUZIRKDIVDS-GFCCVEGCSA-N	-1	0	305.334	0.485	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)ccc1C#N	ZINC001594456894	959426949	/nfs/dbraw/zinc/42/69/49/959426949.db2.gz	SCNUXGVQDBPGNE-UHFFFAOYSA-N	-1	0	316.317	0.523	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)CO[C@@H]1CCOC1	ZINC001362547455	959575031	/nfs/dbraw/zinc/57/50/31/959575031.db2.gz	NTRMLQNLGFQNTE-CMPLNLGQSA-N	-1	0	305.334	0.891	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)C1CCOCC1	ZINC001362594001	959662806	/nfs/dbraw/zinc/66/28/06/959662806.db2.gz	ZCPKCCQMFRKTDS-GFCCVEGCSA-N	-1	0	305.334	0.485	20	30		DCEDRM
N#Cc1cc(Br)ccc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC001362655890	959776963	/nfs/dbraw/zinc/77/69/63/959776963.db2.gz	LKOOXAXLVXLDGS-UHFFFAOYSA-N	-1	0	324.094	0.707	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)Cc1cncs1	ZINC001362743544	959921749	/nfs/dbraw/zinc/92/17/49/959921749.db2.gz	NLGRUYNETCWODB-JTQLQIEISA-N	-1	0	318.358	0.757	20	30		DCEDRM
C=CCOCCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001300908792	959991007	/nfs/dbraw/zinc/99/10/07/959991007.db2.gz	IOMHVOKPLJGLOG-UHFFFAOYSA-N	-1	0	302.338	0.397	20	30		DCEDRM
CC[C@@H](CC#N)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001362825598	960045492	/nfs/dbraw/zinc/04/54/92/960045492.db2.gz	PEPHAKGNUJTXTL-NSHDSACASA-N	-1	0	314.349	0.995	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001303597462	960057525	/nfs/dbraw/zinc/05/75/25/960057525.db2.gz	XCJJCXYZRZPIDC-OBJOEFQTSA-N	-1	0	305.382	0.962	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C#Cc3ccccc3)C2)c(=O)[n-]c1=O	ZINC001305590904	960107106	/nfs/dbraw/zinc/10/71/06/960107106.db2.gz	UVTYDIKKAHGDOO-UHFFFAOYSA-N	-1	0	320.308	0.256	20	30		DCEDRM
CCN1CCC[C@@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1=O	ZINC001362951682	960217531	/nfs/dbraw/zinc/21/75/31/960217531.db2.gz	JEEGATQFPNJFLN-LLVKDONJSA-N	-1	0	302.334	0.708	20	30		DCEDRM
C[C@@H](COCC1CC1)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363018981	960304451	/nfs/dbraw/zinc/30/44/51/960304451.db2.gz	ZJWKKIGNFDMCLJ-JTQLQIEISA-N	-1	0	320.349	0.142	20	30		DCEDRM
CC(=O)CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001363095871	960396104	/nfs/dbraw/zinc/39/61/04/960396104.db2.gz	TZGIPAVNCVLLTC-UHFFFAOYSA-N	-1	0	306.322	0.037	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)c(=O)[n-]c1=O	ZINC001363098173	960396917	/nfs/dbraw/zinc/39/69/17/960396917.db2.gz	VZRLTWWYRMRNEH-GMXVVIOVSA-N	-1	0	316.361	0.763	20	30		DCEDRM
C[C@@H](c1ccccc1)[C@@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363147565	960479992	/nfs/dbraw/zinc/47/99/92/960479992.db2.gz	FJLRJBCBBGUAJK-GXFFZTMASA-N	-1	0	314.345	0.522	20	30		DCEDRM
C[C@H](O)[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccc1	ZINC001363157918	960505022	/nfs/dbraw/zinc/50/50/22/960505022.db2.gz	WNMSOXGMRJOKLW-CABZTGNLSA-N	-1	0	300.318	0.479	20	30		DCEDRM
CC(C)CN(Cc1nnn[n-]1)C(=O)CC1(C#N)CCOCC1	ZINC001363278264	960767929	/nfs/dbraw/zinc/76/79/29/960767929.db2.gz	ZTWBAPSTUSFCEK-UHFFFAOYSA-N	-1	0	306.370	0.895	20	30		DCEDRM
N#Cc1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cs1	ZINC001363289258	960802301	/nfs/dbraw/zinc/80/23/01/960802301.db2.gz	VRZFARICPUPNGM-UHFFFAOYSA-N	-1	0	315.314	0.184	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](O)[C@H](C)O	ZINC001363363614	960986492	/nfs/dbraw/zinc/98/64/92/960986492.db2.gz	JXEGTOLIDUHYCN-GWCFXTLKSA-N	-1	0	307.350	0.066	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)CCn2ccccc2=O)CC1	ZINC001571080285	960994217	/nfs/dbraw/zinc/99/42/17/960994217.db2.gz	PPPWDHWEOFJCMS-UHFFFAOYSA-N	-1	0	303.318	0.455	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001571085266	961048921	/nfs/dbraw/zinc/04/89/21/961048921.db2.gz	YGJRSRUCXPPZCR-LLVKDONJSA-N	-1	0	305.290	0.265	20	30		DCEDRM
CC(C)[C@@]1(C)C[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363395875	961066228	/nfs/dbraw/zinc/06/62/28/961066228.db2.gz	WKHNZXGSXXEGIS-IAQYHMDHSA-N	-1	0	304.350	0.761	20	30		DCEDRM
COC[C@H](NC(=O)c1ccc(C#N)c(OC)c1)c1nnn[n-]1	ZINC001363418251	961117503	/nfs/dbraw/zinc/11/75/03/961117503.db2.gz	SQIBAVQUKDJEQY-JTQLQIEISA-N	-1	0	302.294	0.197	20	30		DCEDRM
CCc1csc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001363428036	961133325	/nfs/dbraw/zinc/13/33/25/961133325.db2.gz	FDNVPEYYKKCZLM-UHFFFAOYSA-N	-1	0	319.346	0.868	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1	ZINC001571096255	961166539	/nfs/dbraw/zinc/16/65/39/961166539.db2.gz	JVQJVVZOQMJEFS-XRHZXQNYSA-N	-1	0	307.350	0.546	20	30		DCEDRM
CCC[C@H](C)[C@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363475326	961234060	/nfs/dbraw/zinc/23/40/60/961234060.db2.gz	KGUNQMGPIHEFGF-JQWIXIFHSA-N	-1	0	322.365	0.124	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)CC1	ZINC001571102189	961239194	/nfs/dbraw/zinc/23/91/94/961239194.db2.gz	KZZICCFVVKFVOV-VHSXEESVSA-N	-1	0	308.338	0.040	20	30		DCEDRM
COCC1(CCNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001363519957	961341121	/nfs/dbraw/zinc/34/11/21/961341121.db2.gz	MJQOTKQFEPAAAC-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001571123011	961461219	/nfs/dbraw/zinc/46/12/19/961461219.db2.gz	LYNTXMMAKHBJNM-UHFFFAOYSA-N	-1	0	315.289	0.287	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)c(=O)[n-]c1=O	ZINC001363588525	961502580	/nfs/dbraw/zinc/50/25/80/961502580.db2.gz	DCQJRHNYTJJEIE-DMDPSCGWSA-N	-1	0	316.361	0.763	20	30		DCEDRM
Cc1ncc2n1CC[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)C2	ZINC001571131425	961556664	/nfs/dbraw/zinc/55/66/64/961556664.db2.gz	GEXDZHPDCSPQLC-GFCCVEGCSA-N	-1	0	316.361	0.971	20	30		DCEDRM
CO[C@@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)[C@@H](C(=O)[O-])C1	ZINC001571131641	961561873	/nfs/dbraw/zinc/56/18/73/961561873.db2.gz	NXOWFNMVBWLIII-GHMZBOCLSA-N	-1	0	316.379	0.574	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](O)[C@H](F)C2)cc1C#N	ZINC001363918074	962127117	/nfs/dbraw/zinc/12/71/17/962127117.db2.gz	UQCYTYHWZLBFIM-NXEZZACHSA-N	-1	0	311.338	0.926	20	30		DCEDRM
C=CCCSCCNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001353216240	962659143	/nfs/dbraw/zinc/65/91/43/962659143.db2.gz	CGOHHNRDNJWJFV-AOOOYVTPSA-N	-1	0	300.380	0.391	20	30		DCEDRM
Cn1c(=O)[n-]c(N2C[C@@H](O)C[C@H]2c2ccccc2)c(C#N)c1=O	ZINC001364203634	962663592	/nfs/dbraw/zinc/66/35/92/962663592.db2.gz	OHRXCBFAIKTBAT-AAEUAGOBSA-N	-1	0	312.329	0.258	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573303835	962681765	/nfs/dbraw/zinc/68/17/65/962681765.db2.gz	TWWKDCDNDPMKSL-LPWJVIDDSA-N	-1	0	306.362	0.522	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573303836	962682561	/nfs/dbraw/zinc/68/25/61/962682561.db2.gz	TWWKDCDNDPMKSL-ZDEQEGDKSA-N	-1	0	306.362	0.522	20	30		DCEDRM
C#CCC1(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)CNC(=O)[O-])C2)CCC1	ZINC001573303909	962683289	/nfs/dbraw/zinc/68/32/89/962683289.db2.gz	UMTAJGGCXZYRQA-VXGBXAGGSA-N	-1	0	321.377	0.553	20	30		DCEDRM
C#CCOCCC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001573311434	962703601	/nfs/dbraw/zinc/70/36/01/962703601.db2.gz	PZYBOXBRTYPPOX-LBPRGKRZSA-N	-1	0	318.333	0.228	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)CCCC(=O)[O-])n1	ZINC001573312236	962719721	/nfs/dbraw/zinc/71/97/21/962719721.db2.gz	OVGNQULEOMBRGU-UHFFFAOYSA-N	-1	0	307.350	0.746	20	30		DCEDRM
C#Cc1ccc(NC(=O)NCC(=O)NCC(=O)[O-])c(Cl)c1	ZINC001573313435	962730357	/nfs/dbraw/zinc/73/03/57/962730357.db2.gz	IQYAJTYMXSOEFL-UHFFFAOYSA-N	-1	0	309.709	0.644	20	30		DCEDRM
C=C(Cl)CN1CCN(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573343448	962904407	/nfs/dbraw/zinc/90/44/07/962904407.db2.gz	DQLRKQUBKSZHHS-VXGBXAGGSA-N	-1	0	315.801	0.193	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC001588435575	964024289	/nfs/dbraw/zinc/02/42/89/964024289.db2.gz	VCXIVKCDEOKCTN-LBPRGKRZSA-N	-1	0	320.345	0.967	20	30		DCEDRM
C=C(Cl)CN(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001381552450	966529962	/nfs/dbraw/zinc/52/99/62/966529962.db2.gz	PMVASJQWPUKZFT-ZETCQYMHSA-N	-1	0	301.734	0.085	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H](NC(C)=O)c1cccs1	ZINC000092477561	967593901	/nfs/dbraw/zinc/59/39/01/967593901.db2.gz	KFSWBZHJOSHHID-LLVKDONJSA-N	-1	0	308.359	0.862	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(NC(=O)CC)cc1)C(=O)[O-]	ZINC000274952591	970312971	/nfs/dbraw/zinc/31/29/71/970312971.db2.gz	GNXOXQWQUPJBDO-LBPRGKRZSA-N	-1	0	324.358	0.790	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(CC(F)(F)F)C(=O)C1	ZINC001609691317	970447788	/nfs/dbraw/zinc/44/77/88/970447788.db2.gz	JNKKYYVCXOCLPR-LLVKDONJSA-N	-1	0	321.255	0.224	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)O[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O	ZINC001609693058	970453588	/nfs/dbraw/zinc/45/35/88/970453588.db2.gz	RQTZNNQIDGWWEW-KIGUWFBYSA-N	-1	0	308.334	0.981	20	30		DCEDRM
CC(C)CN1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H](C)C1=O	ZINC001609805898	970537364	/nfs/dbraw/zinc/53/73/64/970537364.db2.gz	XNMHDMAGVBJZAN-XHDPSFHLSA-N	-1	0	309.366	0.706	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)C(=O)[O-]	ZINC001605064304	972682781	/nfs/dbraw/zinc/68/27/81/972682781.db2.gz	JWNRILCHYIBMJQ-UHFFFAOYSA-N	-1	0	306.274	0.405	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CNc2ccc(C#N)cn2)C1	ZINC001603360906	972830824	/nfs/dbraw/zinc/83/08/24/972830824.db2.gz	ZTBNBJNDGBGRKV-PWSUYJOCSA-N	-1	0	302.334	0.934	20	30		DCEDRM
CC[C@@](C)(C#N)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001603505148	973487218	/nfs/dbraw/zinc/48/72/18/973487218.db2.gz	YKXYRSRGIBFINW-BZNIZROVSA-N	-1	0	321.377	0.850	20	30		DCEDRM
Cc1nnc(N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c(C#N)c1C	ZINC001605444647	973509128	/nfs/dbraw/zinc/50/91/28/973509128.db2.gz	NNYCWESFKUUOFX-GFCCVEGCSA-N	-1	0	317.349	0.843	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(c2nnc(CC(C)(C)C#N)n2C)C1	ZINC001604541296	973517876	/nfs/dbraw/zinc/51/78/76/973517876.db2.gz	MJPTXCDCIWWHPX-OAHLLOKOSA-N	-1	0	321.381	0.835	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@]2(C#N)CC23CCCC3)CCO1	ZINC001604551836	973578241	/nfs/dbraw/zinc/57/82/41/973578241.db2.gz	WKERNDQRFCITFZ-JKSUJKDBSA-N	-1	0	322.361	0.789	20	30		DCEDRM
CCC(CC)(NC(=O)Cc1noc(C)c1C#N)c1nnn[n-]1	ZINC001449016239	1014134921	/nfs/dbraw/zinc/13/49/21/1014134921.db2.gz	QEAGCRQIAXDNKS-UHFFFAOYSA-N	-1	0	303.326	0.742	20	30		DCEDRM
N#C[C@@]1(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)CCCOC1	ZINC001605576450	973847674	/nfs/dbraw/zinc/84/76/74/973847674.db2.gz	NUJQUKIRJZSTCO-IAWSLSPSSA-N	-1	0	322.361	0.835	20	30		DCEDRM
N#CC1(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCOCC1	ZINC001605576420	973847711	/nfs/dbraw/zinc/84/77/11/973847711.db2.gz	MZSACKDOIOPUDZ-NHYWBVRUSA-N	-1	0	308.334	0.256	20	30		DCEDRM
N#CCC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001605581826	973862937	/nfs/dbraw/zinc/86/29/37/973862937.db2.gz	NIXYYPSCJLNWKB-YPMHNXCESA-N	-1	0	301.302	0.443	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)CCCC(=O)[O-])CC2)cn1	ZINC001605611069	973913105	/nfs/dbraw/zinc/91/31/05/973913105.db2.gz	AYBKFYQDTXZHJE-UHFFFAOYSA-N	-1	0	302.334	0.857	20	30		DCEDRM
N#Cc1ccc(CNC(=O)c2cccn(CC(=O)[O-])c2=O)nc1	ZINC001605611300	973916954	/nfs/dbraw/zinc/91/69/54/973916954.db2.gz	QRAJWKDSSRBXJS-UHFFFAOYSA-N	-1	0	312.285	0.130	20	30		DCEDRM
N#Cc1ccc(Cl)cc1NC(=O)CN1CCOC[C@@H]1C(=O)[O-]	ZINC001605611423	973920708	/nfs/dbraw/zinc/92/07/08/973920708.db2.gz	YDSDDDXXKXUFNK-GFCCVEGCSA-N	-1	0	323.736	0.936	20	30		DCEDRM
CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[C@](COC)(C(=O)[O-])C1	ZINC001604002828	974505184	/nfs/dbraw/zinc/50/51/84/974505184.db2.gz	FRLSLQCRUBVIMM-RWSFTLGLSA-N	-1	0	319.365	0.853	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F	ZINC000718155721	977960138	/nfs/dbraw/zinc/96/01/38/977960138.db2.gz	KEHTWJGAINQQDJ-SSDOTTSWSA-N	-1	0	321.713	0.450	20	30		DCEDRM
CC[C@@](C)(CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)OC	ZINC001449952633	1014810874	/nfs/dbraw/zinc/81/08/74/1014810874.db2.gz	KKVSJXZWICRPFS-AWEZNQCLSA-N	-1	0	308.338	0.142	20	30		DCEDRM
CCCCN(C)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001595740294	982394583	/nfs/dbraw/zinc/39/45/83/982394583.db2.gz	GJEXGTLDRIBWOH-UHFFFAOYSA-N	-1	0	303.384	0.653	20	30		DCEDRM
N#CC1(CNS(=O)(=O)C2(C(=O)[O-])CCC2)CCOCC1	ZINC001574242870	983201715	/nfs/dbraw/zinc/20/17/15/983201715.db2.gz	ZMPRVMQJAMLWRY-UHFFFAOYSA-N	-1	0	302.352	0.233	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCSC[C@H]2C(=O)[O-])nc1	ZINC001574250175	983203929	/nfs/dbraw/zinc/20/39/29/983203929.db2.gz	TVHJUFKBKCDWLU-JTQLQIEISA-N	-1	0	306.347	0.394	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC001588368294	983304576	/nfs/dbraw/zinc/30/45/76/983304576.db2.gz	JPLQFBSUNWYFCS-SECBINFHSA-N	-1	0	304.302	0.812	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C	ZINC001588370440	983319226	/nfs/dbraw/zinc/31/92/26/983319226.db2.gz	CWGMPKNJMUWOFU-LURJTMIESA-N	-1	0	323.779	0.681	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)CCCCCC(=O)[O-])C1CCOCC1	ZINC001588377449	983356927	/nfs/dbraw/zinc/35/69/27/983356927.db2.gz	LZWGZKXFBUPPSP-ZDUSSCGKSA-N	-1	0	317.407	0.979	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1	ZINC001588381848	983367795	/nfs/dbraw/zinc/36/77/95/983367795.db2.gz	BSXAPUWFSDDOQT-MRTXSQPYSA-N	-1	0	318.373	0.474	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1	ZINC001588382441	983371860	/nfs/dbraw/zinc/37/18/60/983371860.db2.gz	OZFPEKDASFIMKD-XNJGSVPQSA-N	-1	0	318.373	0.714	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1scc(C)c1C(=O)[O-]	ZINC001588383686	983383191	/nfs/dbraw/zinc/38/31/91/983383191.db2.gz	HNXCBQICFXNKGC-VIFPVBQESA-N	-1	0	322.342	0.554	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588390346	983393024	/nfs/dbraw/zinc/39/30/24/983393024.db2.gz	RSDPSUQEVXPBRK-GFCCVEGCSA-N	-1	0	318.329	0.868	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)NCc1ccc(C(=O)[O-])s1	ZINC001588393504	983398682	/nfs/dbraw/zinc/39/86/82/983398682.db2.gz	GMEPEPGRMRCUDK-VIFPVBQESA-N	-1	0	324.358	0.217	20	30		DCEDRM
C#CC[C@H](CCOC)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC001588395829	983406905	/nfs/dbraw/zinc/40/69/05/983406905.db2.gz	UPPQWIHHSJCBIO-SNVBAGLBSA-N	-1	0	314.363	0.430	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](CCC)CCCS(C)(=O)=O)C(=O)[O-]	ZINC001588398318	983411828	/nfs/dbraw/zinc/41/18/28/983411828.db2.gz	HPMJCYVXCQMYCN-RYUDHWBXSA-N	-1	0	317.407	0.820	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)C(=O)[O-]	ZINC001588406393	983425167	/nfs/dbraw/zinc/42/51/67/983425167.db2.gz	PGMOFVAOCAYQEV-KGLIPLIRSA-N	-1	0	314.341	0.741	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1c(C)nn(C)c1-n1cc(C)cn1)C(=O)[O-]	ZINC001588413652	983431816	/nfs/dbraw/zinc/43/18/16/983431816.db2.gz	FDUZYCZAKXOZSY-LLVKDONJSA-N	-1	0	315.333	0.429	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C(=O)[O-]	ZINC001588414547	983434591	/nfs/dbraw/zinc/43/45/91/983434591.db2.gz	VPXXHPNVSCBAJY-LLVKDONJSA-N	-1	0	303.318	0.457	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccccc1CCC(=O)[O-])C(=O)OC	ZINC001588417029	983438190	/nfs/dbraw/zinc/43/81/90/983438190.db2.gz	VGEKSPPCJOZTCR-ZDUSSCGKSA-N	-1	0	303.314	0.999	20	30		DCEDRM
C#CCN(C(=O)NCCn1cc(C(=O)[O-])nn1)C1CCCCC1	ZINC001588459539	983484526	/nfs/dbraw/zinc/48/45/26/983484526.db2.gz	ANBNEIAFIISCTG-UHFFFAOYSA-N	-1	0	319.365	0.954	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1scc(C)c1C(=O)[O-]	ZINC001588464833	983494503	/nfs/dbraw/zinc/49/45/03/983494503.db2.gz	OLNGKMQEVYDSNH-UHFFFAOYSA-N	-1	0	304.327	0.788	20	30		DCEDRM
C#CCN(C1CSC1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC001588464973	983495493	/nfs/dbraw/zinc/49/54/93/983495493.db2.gz	YVYHXYDYWMELRF-UHFFFAOYSA-N	-1	0	314.388	0.463	20	30		DCEDRM
C#CCN(Cc1ccccc1)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001588471405	983506004	/nfs/dbraw/zinc/50/60/04/983506004.db2.gz	MMHPKIQORSXBCE-UHFFFAOYSA-N	-1	0	319.342	0.932	20	30		DCEDRM
C#CCN1CCC[C@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)C1	ZINC001588475249	983507561	/nfs/dbraw/zinc/50/75/61/983507561.db2.gz	AUGDCHKMEXPHLW-LBPRGKRZSA-N	-1	0	314.407	0.258	20	30		DCEDRM
C#CCNC(=O)COC(=O)Cn1cc(C(=O)[O-])c2ccccc21	ZINC001588483672	983521841	/nfs/dbraw/zinc/52/18/41/983521841.db2.gz	GRHXBRQVQQRLKS-UHFFFAOYSA-N	-1	0	314.297	0.632	20	30		DCEDRM
C#CCOCCC(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2	ZINC001588490096	983530397	/nfs/dbraw/zinc/53/03/97/983530397.db2.gz	RADVOJOTHXEGDU-HNNXBMFYSA-N	-1	0	303.314	0.903	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1OC	ZINC001588490223	983531168	/nfs/dbraw/zinc/53/11/68/983531168.db2.gz	ITQDLIGMAYOAPJ-YGRLFVJLSA-N	-1	0	321.329	0.984	20	30		DCEDRM
C#CCOCCNC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC001588491411	983536061	/nfs/dbraw/zinc/53/60/61/983536061.db2.gz	MFDRBVVBVBCGMY-LLVKDONJSA-N	-1	0	308.256	0.685	20	30		DCEDRM
C#Cc1ccc(C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)nc1	ZINC001588516609	983561506	/nfs/dbraw/zinc/56/15/06/983561506.db2.gz	SEONMCYTDPDCQC-VIFPVBQESA-N	-1	0	300.274	0.657	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=S)NCCCC(=O)[O-])c1	ZINC001588523925	983573711	/nfs/dbraw/zinc/57/37/11/983573711.db2.gz	ZAMWXYIBHMLMHF-UHFFFAOYSA-N	-1	0	319.386	0.935	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588530159	983583400	/nfs/dbraw/zinc/58/34/00/983583400.db2.gz	SKCFCHJDJCSUNH-VXGBXAGGSA-N	-1	0	308.378	0.980	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CCn1cnc2c1ncnc2N)C(=O)[O-]	ZINC001588543152	983610890	/nfs/dbraw/zinc/61/08/90/983610890.db2.gz	XFPVWZXBNWKWMD-SECBINFHSA-N	-1	0	318.337	0.334	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001588599511	983690526	/nfs/dbraw/zinc/69/05/26/983690526.db2.gz	UCAZSXDREYGICU-NQBHXWOUSA-N	-1	0	313.350	0.690	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1Cc2ccccc2C[C@H]1C(N)=O	ZINC001588618900	983713831	/nfs/dbraw/zinc/71/38/31/983713831.db2.gz	DXJOTEGGXYHMAL-ZDUSSCGKSA-N	-1	0	302.330	0.846	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N[C@H](CCC(=O)OC)C(=O)[O-]	ZINC001588634041	983751597	/nfs/dbraw/zinc/75/15/97/983751597.db2.gz	VGGDVUDKVAKHLA-SECBINFHSA-N	-1	0	301.295	0.018	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588643280	983765352	/nfs/dbraw/zinc/76/53/52/983765352.db2.gz	BWLPTYJRCCZPQX-JTQLQIEISA-N	-1	0	304.350	0.870	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cc(C)ncc1C#N	ZINC001596333385	983772592	/nfs/dbraw/zinc/77/25/92/983772592.db2.gz	QXIFSEPJICXRJN-STQMWFEESA-N	-1	0	316.361	0.925	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1	ZINC001588669070	983809601	/nfs/dbraw/zinc/80/96/01/983809601.db2.gz	GCELWNORNCOFKV-RNJXMRFFSA-N	-1	0	301.286	0.533	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(CC(=O)N2CCCCCC2)CC1	ZINC001588670090	983818113	/nfs/dbraw/zinc/81/81/13/983818113.db2.gz	VRWDNSOOSULBIF-AWEZNQCLSA-N	-1	0	309.410	0.646	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1	ZINC001588681456	983839802	/nfs/dbraw/zinc/83/98/02/983839802.db2.gz	WWSGZYKJVRUULW-ZUZCIYMTSA-N	-1	0	322.365	0.088	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1	ZINC001588681558	983841089	/nfs/dbraw/zinc/84/10/89/983841089.db2.gz	YYXDIQKVKPXJIK-ABAIWWIYSA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=C[C@@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)C(=O)[O-]	ZINC001588702004	983917655	/nfs/dbraw/zinc/91/76/55/983917655.db2.gz	FUGADPPLGPTMST-LLVKDONJSA-N	-1	0	302.338	0.910	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@](OC)(C(=O)[O-])C2)n1CC1CC1	ZINC001588706263	983930149	/nfs/dbraw/zinc/93/01/49/983930149.db2.gz	XFQSPZGWVTWATE-XHDPSFHLSA-N	-1	0	322.365	0.587	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@@](OC)(C(=O)[O-])C2)n1CC1CC1	ZINC001588706257	983930296	/nfs/dbraw/zinc/93/02/96/983930296.db2.gz	XFQSPZGWVTWATE-ABAIWWIYSA-N	-1	0	322.365	0.587	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(=O)OCC	ZINC001588750367	984071245	/nfs/dbraw/zinc/07/12/45/984071245.db2.gz	WNQKLNSRQOKXAO-VWYCJHECSA-N	-1	0	319.379	0.667	20	30		DCEDRM
C=CC[C@H](OC(=O)CN1C(=O)COc2ccccc21)C(=O)[O-]	ZINC001588753440	984085716	/nfs/dbraw/zinc/08/57/16/984085716.db2.gz	HOJQPFIFWXYSNP-LBPRGKRZSA-N	-1	0	305.286	0.985	20	30		DCEDRM
C=CC[C@@H](OC(=O)c1ccnc(N2CCOCC2)n1)C(=O)[O-]	ZINC001588757574	984103584	/nfs/dbraw/zinc/10/35/84/984103584.db2.gz	BHZWXOXGQRGKPI-LLVKDONJSA-N	-1	0	307.306	0.499	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1	ZINC001588772389	984142611	/nfs/dbraw/zinc/14/26/11/984142611.db2.gz	DYDHBSGUFZRXHC-OZVIIMIRSA-N	-1	0	308.378	0.980	20	30		DCEDRM
C=CCCC(C)(C)Cn1nnnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588778026	984158776	/nfs/dbraw/zinc/15/87/76/984158776.db2.gz	QBZVLLWBFPIYND-LLVKDONJSA-N	-1	0	309.370	0.955	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CCc2nnnn2CC1)C(=O)[O-]	ZINC001588790197	984204634	/nfs/dbraw/zinc/20/46/34/984204634.db2.gz	SJKMHJNNYYWWQP-WDEREUQCSA-N	-1	0	307.354	0.551	20	30		DCEDRM
C=CCCC[C@H](NC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)[O-]	ZINC001588790237	984205232	/nfs/dbraw/zinc/20/52/32/984205232.db2.gz	UBXOLUSOHZAAEF-MNOVXSKESA-N	-1	0	301.364	0.861	20	30		DCEDRM
C=CCCC[C@H](NC(=O)Cc1nc2ncccn2n1)C(=O)[O-]	ZINC001588794238	984226075	/nfs/dbraw/zinc/22/60/75/984226075.db2.gz	OYGDLHJJLYQYML-JTQLQIEISA-N	-1	0	303.322	0.593	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)c1c(C)onc1N)C(=O)[O-]	ZINC001588798481	984236472	/nfs/dbraw/zinc/23/64/72/984236472.db2.gz	GVJUJAADPLHTSU-MRVPVSSYSA-N	-1	0	303.340	0.653	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CCN([C@H](C)CC(=O)[O-])CC1	ZINC001588803729	984251931	/nfs/dbraw/zinc/25/19/31/984251931.db2.gz	GWIDIZWCXLJKRV-GFCCVEGCSA-N	-1	0	304.412	0.763	20	30		DCEDRM
C=CCCS(=O)(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001588813094	984269238	/nfs/dbraw/zinc/26/92/38/984269238.db2.gz	IIRTYPKPGXJDPF-UWVGGRQHSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=CCN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[C@@H](C)COC	ZINC001588820758	984286497	/nfs/dbraw/zinc/28/64/97/984286497.db2.gz	QRLCUDFFZRCGDQ-RYUDHWBXSA-N	-1	0	312.366	0.359	20	30		DCEDRM
C=CCN1C(=O)c2ccc(C(=O)N[C@H](CF)C(=O)[O-])cc2C1=O	ZINC001588837095	984331911	/nfs/dbraw/zinc/33/19/11/984331911.db2.gz	PVCNOHKBJVEPRY-LLVKDONJSA-N	-1	0	320.276	0.621	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588843647	984353582	/nfs/dbraw/zinc/35/35/82/984353582.db2.gz	CSHDIGQFLIRKLB-BBBLOLIVSA-N	-1	0	312.322	0.431	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588844866	984360765	/nfs/dbraw/zinc/36/07/65/984360765.db2.gz	YAACEFYIFYUZOA-SECBINFHSA-N	-1	0	321.337	0.018	20	30		DCEDRM
C=CCOCC(=O)N1CC=C(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588850109	984378533	/nfs/dbraw/zinc/37/85/33/984378533.db2.gz	XSRYQMFXLSAFGD-STQMWFEESA-N	-1	0	322.361	0.185	20	30		DCEDRM
C=CCOCC(=O)NC[C@H]1CCCN1c1ncc(C(=O)[O-])cn1	ZINC001588851147	984383156	/nfs/dbraw/zinc/38/31/56/984383156.db2.gz	WNQFDJJOCNTOTB-GFCCVEGCSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@](C)(NC(C)=O)C(C)C)C(=O)[O-]	ZINC001588851189	984383512	/nfs/dbraw/zinc/38/35/12/984383512.db2.gz	XTOOSOVKASGLJP-RISCZKNCSA-N	-1	0	300.355	0.309	20	30		DCEDRM
C=CCOC[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)C(=O)OC	ZINC001588853852	984386838	/nfs/dbraw/zinc/38/68/38/984386838.db2.gz	JPYCHWADTBWVKR-XOIDGJRKSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccnc(-n2cncn2)c1)C(=O)[O-]	ZINC001588862211	984417416	/nfs/dbraw/zinc/41/74/16/984417416.db2.gz	RVJPIJJSRFNJJL-LLVKDONJSA-N	-1	0	317.305	0.048	20	30		DCEDRM
C=CCOC[C@@H]1NC(=O)N([C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1=O	ZINC001588867064	984429762	/nfs/dbraw/zinc/42/97/62/984429762.db2.gz	VUTNNEUXRNSLMV-LVEVGFFFSA-N	-1	0	308.334	0.609	20	30		DCEDRM
C=CCn1c(N2CCC(C(=O)[O-])CC2)nnc1[C@@]1(O)CCOC1	ZINC001588904220	984527653	/nfs/dbraw/zinc/52/76/53/984527653.db2.gz	LQRNBFVMUGLVRC-OAHLLOKOSA-N	-1	0	322.365	0.373	20	30		DCEDRM
C=CCn1c(N2CC[C@](C)(C(=O)[O-])C2)nnc1[C@@](C)(O)COC	ZINC001588904325	984528966	/nfs/dbraw/zinc/52/89/66/984528966.db2.gz	OKFAYSQTLZFRDA-GJZGRUSLSA-N	-1	0	324.381	0.619	20	30		DCEDRM
C=CCn1cc(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)nn1	ZINC001588909005	984540980	/nfs/dbraw/zinc/54/09/80/984540980.db2.gz	DTLTUKJRBASJRW-UHFFFAOYSA-N	-1	0	318.337	0.364	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC001588916992	984564645	/nfs/dbraw/zinc/56/46/45/984564645.db2.gz	KHHVQFRQZQVFNO-KKOKHZNYSA-N	-1	0	311.334	0.442	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588918026	984569316	/nfs/dbraw/zinc/56/93/16/984569316.db2.gz	QWXMXSOPTTUOCP-ITDIGPHOSA-N	-1	0	323.349	0.593	20	30		DCEDRM
CC#CCCCC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588925273	984586287	/nfs/dbraw/zinc/58/62/87/984586287.db2.gz	OCKDMMRAZFTBLN-GFCCVEGCSA-N	-1	0	316.361	0.803	20	30		DCEDRM
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001596677730	984755401	/nfs/dbraw/zinc/75/54/01/984755401.db2.gz	WTBATXDKHYJODH-WDEREUQCSA-N	-1	0	308.334	0.793	20	30		DCEDRM
C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])nc2)C[C@H](C)N1CC#N	ZINC001594493126	985609199	/nfs/dbraw/zinc/60/91/99/985609199.db2.gz	OAKQTMDNFDIMTM-QWRGUYRKSA-N	-1	0	302.334	0.838	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001589328607	986157612	/nfs/dbraw/zinc/15/76/12/986157612.db2.gz	DMLWHQIAXBJBGM-MNOVXSKESA-N	-1	0	317.349	0.667	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001589328608	986157704	/nfs/dbraw/zinc/15/77/04/986157704.db2.gz	DMLWHQIAXBJBGM-QWRGUYRKSA-N	-1	0	317.349	0.667	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H](CNc1ncc(C(=O)[O-])cn1)C1CC1	ZINC001589329903	986168102	/nfs/dbraw/zinc/16/81/02/986168102.db2.gz	VQQKNZQZMITIAV-LDYMZIIASA-N	-1	0	303.322	0.641	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001589330071	986168961	/nfs/dbraw/zinc/16/89/61/986168961.db2.gz	XYIBSLVGWVWOMQ-IQJOONFLSA-N	-1	0	303.322	0.593	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@]1(C)CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001589330094	986170248	/nfs/dbraw/zinc/17/02/48/986170248.db2.gz	YEPWMBFSMYQGMR-OTYXRUKQSA-N	-1	0	303.322	0.419	20	30		DCEDRM
CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC(C#N)C1	ZINC001597067800	986570729	/nfs/dbraw/zinc/57/07/29/986570729.db2.gz	HYRCPOKSFXNQDJ-UHFFFAOYSA-N	-1	0	310.331	0.928	20	30		DCEDRM
C[C@@H](C(=O)NCc1ccnc(C(=O)[O-])c1)n1cnc(C#N)n1	ZINC001589414474	986633352	/nfs/dbraw/zinc/63/33/52/986633352.db2.gz	BVUDNCVCSVHODU-QMMMGPOBSA-N	-1	0	300.278	0.120	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCOCC(=O)[O-]	ZINC001589867333	988485931	/nfs/dbraw/zinc/48/59/31/988485931.db2.gz	VAXGHZXNVCCLMB-CQSZACIVSA-N	-1	0	314.338	0.465	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC(=NOCC(N)=O)C[C@@H](C(=O)[O-])C1	ZINC001589910143	988643986	/nfs/dbraw/zinc/64/39/86/988643986.db2.gz	WLBMJEJLLMXETQ-MRVPVSSYSA-N	-1	0	315.326	0.186	20	30		DCEDRM
C[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1NC(=O)C#CC1CC1	ZINC001599869357	989323393	/nfs/dbraw/zinc/32/33/93/989323393.db2.gz	VVTZBMITZXXICO-ZYHUDNBSSA-N	-1	0	314.345	0.529	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001590615154	990287425	/nfs/dbraw/zinc/28/74/25/990287425.db2.gz	LQSDUWLZOCWABC-LLVKDONJSA-N	-1	0	318.395	0.414	20	30		DCEDRM
CC(C)(NS(=O)(=O)c1ccc(C#N)s1)[C@@H](O)C(=O)[O-]	ZINC001590879304	990792598	/nfs/dbraw/zinc/79/25/98/990792598.db2.gz	WKAPSRXHZWILGL-QMMMGPOBSA-N	-1	0	304.349	0.122	20	30		DCEDRM
CN(C)C1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001598194100	990798559	/nfs/dbraw/zinc/79/85/59/990798559.db2.gz	TWTJMLKORLYIOF-UHFFFAOYSA-N	-1	0	309.347	0.191	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001590927937	990937758	/nfs/dbraw/zinc/93/77/58/990937758.db2.gz	OOZPIBABSPREPX-XUXIUFHCSA-N	-1	0	320.389	0.910	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001590927935	990937973	/nfs/dbraw/zinc/93/79/73/990937973.db2.gz	OOZPIBABSPREPX-SYQHCUMBSA-N	-1	0	320.389	0.910	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001590928061	990938644	/nfs/dbraw/zinc/93/86/44/990938644.db2.gz	PVOQMJXYGIYFGV-FDYHWXHSSA-N	-1	0	306.362	0.378	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1	ZINC001598287323	991187133	/nfs/dbraw/zinc/18/71/33/991187133.db2.gz	FZQFODVVLAWFIK-GXTWGEPZSA-N	-1	0	317.345	0.532	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001598419553	991753951	/nfs/dbraw/zinc/75/39/51/991753951.db2.gz	LXCCMLDXAQMJQI-UHFFFAOYSA-N	-1	0	307.310	0.065	20	30		DCEDRM
CN(CCCN(C)c1ccc(C#N)cn1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001598478413	992110475	/nfs/dbraw/zinc/11/04/75/992110475.db2.gz	NBQMTMGYVKFTJO-QWHCGFSZSA-N	-1	0	316.361	0.959	20	30		DCEDRM
CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cccc(F)c1C#N	ZINC001598489819	992270214	/nfs/dbraw/zinc/27/02/14/992270214.db2.gz	AFBQZXKVUNVTRE-NXEZZACHSA-N	-1	0	305.309	0.970	20	30		DCEDRM
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C(C)(C)O	ZINC001593333805	994905612	/nfs/dbraw/zinc/90/56/12/994905612.db2.gz	GTBJSHXCCTYTRF-QMMMGPOBSA-N	-1	0	312.347	0.694	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)COc1ccccc1C#N	ZINC001598695007	995123040	/nfs/dbraw/zinc/12/30/40/995123040.db2.gz	YNLIJZNZOWTRAS-SNVBAGLBSA-N	-1	0	306.274	0.070	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1Cc1ccnc(C#N)c1	ZINC001598762139	995788656	/nfs/dbraw/zinc/78/86/56/995788656.db2.gz	ULUJQMITCNFNLV-DGCLKSJQSA-N	-1	0	303.318	0.791	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1(C(N)=O)CCCC1	ZINC001465088888	1015983290	/nfs/dbraw/zinc/98/32/90/1015983290.db2.gz	NZEMOMPQQJYSKB-UHFFFAOYSA-N	-1	0	302.334	0.743	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(Cc2cc(C#N)ccn2)C1	ZINC001598775386	995925045	/nfs/dbraw/zinc/92/50/45/995925045.db2.gz	IFEWWQGGPFEOCP-WCQYABFASA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)NCC2(C#N)CCCC2)C[C@@H]1C(=O)[O-]	ZINC001598809721	996220429	/nfs/dbraw/zinc/22/04/29/996220429.db2.gz	QSWSWIQEAKEJKM-WDEREUQCSA-N	-1	0	323.349	0.586	20	30		DCEDRM
CC1(C)CCC[C@](NC(=O)Cn2cnc(C#N)n2)(C(=O)[O-])C1	ZINC001593890702	996734082	/nfs/dbraw/zinc/73/40/82/996734082.db2.gz	FVZSXVFLPWSBRS-CQSZACIVSA-N	-1	0	305.338	0.690	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CC(C)(C#N)C1	ZINC001599380985	996846062	/nfs/dbraw/zinc/84/60/62/996846062.db2.gz	OZHTZDIPNAWFDD-GFCCVEGCSA-N	-1	0	320.345	0.979	20	30		DCEDRM
COC[C@H](NS(=O)(=O)c1c(C)cc(F)cc1C#N)C(=O)[O-]	ZINC001599176828	996863129	/nfs/dbraw/zinc/86/31/29/996863129.db2.gz	DXGHLONDCQAXGS-JTQLQIEISA-N	-1	0	316.310	0.384	20	30		DCEDRM
COc1cc(C(=O)[O-])sc1S(=O)(=O)N1CC(CC#N)C1	ZINC001599384862	996925986	/nfs/dbraw/zinc/92/59/86/996925986.db2.gz	WSXICTYAQYLCBK-UHFFFAOYSA-N	-1	0	316.360	0.989	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC001599079768	996971010	/nfs/dbraw/zinc/97/10/10/996971010.db2.gz	WYQBVXAVTNJKJR-AWEZNQCLSA-N	-1	0	324.358	0.564	20	30		DCEDRM
COc1cc(COCC(=O)N(CC#N)CCC(=O)[O-])ccn1	ZINC001599416949	997528618	/nfs/dbraw/zinc/52/86/18/997528618.db2.gz	KZVBREZCEZSACB-UHFFFAOYSA-N	-1	0	307.306	0.434	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CN1CCC[C@@H](CC#N)C1	ZINC001598925888	997645597	/nfs/dbraw/zinc/64/55/97/997645597.db2.gz	GHHDQNRKVJZMKS-JTQLQIEISA-N	-1	0	306.322	0.951	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CN1CCC[C@@](C)(C#N)C1	ZINC001598926974	997666017	/nfs/dbraw/zinc/66/60/17/997666017.db2.gz	YSDDODCUFPGSCT-AWEZNQCLSA-N	-1	0	306.322	0.951	20	30		DCEDRM
COc1c(F)cccc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001599335561	997830517	/nfs/dbraw/zinc/83/05/17/997830517.db2.gz	MBTUFJOJAPFQSC-UHFFFAOYSA-N	-1	0	302.283	0.433	20	30		DCEDRM
COc1cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)ncn1	ZINC001599435612	997839207	/nfs/dbraw/zinc/83/92/07/997839207.db2.gz	RPXFBVPRADXEDX-UHFFFAOYSA-N	-1	0	305.294	0.707	20	30		DCEDRM
CO[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)[C@](C)(C(=O)[O-])C1	ZINC001599131075	997946324	/nfs/dbraw/zinc/94/63/24/997946324.db2.gz	SIZNWSJIBQRNEN-NHYWBVRUSA-N	-1	0	304.302	0.968	20	30		DCEDRM
COc1cc(C(=O)N(CC#N)CC(=O)[O-])cc([N+](=O)[O-])c1C	ZINC001599350774	998089541	/nfs/dbraw/zinc/08/95/41/998089541.db2.gz	VJMOQFFEARRNSI-UHFFFAOYSA-N	-1	0	307.262	0.962	20	30		DCEDRM
COC[C@@](C)(NS(=O)(=O)c1c(C)cccc1C#N)C(=O)[O-]	ZINC001599155141	998360055	/nfs/dbraw/zinc/36/00/55/998360055.db2.gz	LEQAFUNBINTNFB-CYBMUJFWSA-N	-1	0	312.347	0.635	20	30		DCEDRM
COCCOc1cncc(C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001599262014	998402539	/nfs/dbraw/zinc/40/25/39/998402539.db2.gz	QGMDGLZPRZIYIG-UHFFFAOYSA-N	-1	0	307.306	0.547	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC001594139915	998429361	/nfs/dbraw/zinc/42/93/61/998429361.db2.gz	CWGZGIUUZAYLOE-WPRPVWTQSA-N	-1	0	319.292	0.957	20	30		DCEDRM
COC(=O)c1cccc([C@H](C(=O)[O-])N2CC[C@](O)(CC#N)C2)c1	ZINC001598997178	998790763	/nfs/dbraw/zinc/79/07/63/998790763.db2.gz	RCLIHJIERRLEAI-CZUORRHYSA-N	-1	0	318.329	0.949	20	30		DCEDRM
COC(CN(CCC(=O)[O-])C(=O)c1cc(C#N)oc1C)OC	ZINC001599045202	999145518	/nfs/dbraw/zinc/14/55/18/999145518.db2.gz	DYCJBAOHPINFIG-UHFFFAOYSA-N	-1	0	310.306	0.996	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)NCC2(C#N)CCOCC2)C1	ZINC001599071127	999333394	/nfs/dbraw/zinc/33/33/94/999333394.db2.gz	BXEKYGXNMYWJEM-AWEZNQCLSA-N	-1	0	311.338	0.192	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)NCC#Cc2ccccc2)C1	ZINC001599071389	999335421	/nfs/dbraw/zinc/33/54/21/999335421.db2.gz	DPIRDASXJYSVFO-INIZCTEOSA-N	-1	0	302.330	0.923	20	30		DCEDRM
CCOC(=O)C(C)(C)ONC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001469541730	1016344146	/nfs/dbraw/zinc/34/41/46/1016344146.db2.gz	UHWIONYEJMGVOO-UHFFFAOYSA-N	-1	0	307.306	0.970	20	30		DCEDRM
COC1CC(CCNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001470075469	1016388501	/nfs/dbraw/zinc/38/85/01/1016388501.db2.gz	XNYPPZCDLMFVHQ-UHFFFAOYSA-N	-1	0	320.349	0.142	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H]2CCCC3(CC3)C2)c(=O)[n-]c1=O	ZINC001418536237	1000323956	/nfs/dbraw/zinc/32/39/56/1000323956.db2.gz	KMINWVVEPCFTHO-NSHDSACASA-N	-1	0	316.361	0.907	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c1	ZINC001470935257	1016502950	/nfs/dbraw/zinc/50/29/50/1016502950.db2.gz	NYFVDNCLAXXBCK-NSHDSACASA-N	-1	0	302.269	0.424	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1	ZINC001470932239	1016503439	/nfs/dbraw/zinc/50/34/39/1016503439.db2.gz	HVLAWPQDSTWHLW-GFCCVEGCSA-N	-1	0	314.305	0.050	20	30		DCEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H](C)CNC(=O)C#CC1CC1	ZINC001512410966	1016654345	/nfs/dbraw/zinc/65/43/45/1016654345.db2.gz	IEIVXCWXRFSINT-SNVBAGLBSA-N	-1	0	318.377	0.804	20	30		DCEDRM
COC[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1nnn[n-]1	ZINC001471845399	1016666917	/nfs/dbraw/zinc/66/69/17/1016666917.db2.gz	MAIDSPWGUWRNFL-SNVBAGLBSA-N	-1	0	306.713	0.842	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](CCO)c2ccccc2F)c(C#N)c1=O	ZINC001472814922	1016859243	/nfs/dbraw/zinc/85/92/43/1016859243.db2.gz	YCNIGEQICWAGSH-LBPRGKRZSA-N	-1	0	318.308	0.620	20	30		DCEDRM
Cc1ccnc(-c2noc(Cn3c(=O)[n-]cc(C#N)c3=O)n2)c1	ZINC001473047722	1016902281	/nfs/dbraw/zinc/90/22/81/1016902281.db2.gz	IGLYTEGQLWEZCN-UHFFFAOYSA-N	-1	0	310.273	0.210	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2nc(Cc3ccccc3)no2)c1=O	ZINC001473047767	1016904466	/nfs/dbraw/zinc/90/44/66/1016904466.db2.gz	KGTGPMJYEKIIGG-UHFFFAOYSA-N	-1	0	309.285	0.430	20	30		DCEDRM
Cc1cccc(C)c1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417688201	1005868478	/nfs/dbraw/zinc/86/84/78/1005868478.db2.gz	MFVADKWEDAVZOD-UHFFFAOYSA-N	-1	0	312.329	0.754	20	30		DCEDRM
CC1(C)C[C@@H](CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001417889701	1005916360	/nfs/dbraw/zinc/91/63/60/1005916360.db2.gz	KVERHQMZJOLDQL-JTQLQIEISA-N	-1	0	320.349	0.142	20	30		DCEDRM
Cc1n[nH]c(C)c1[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417893163	1005917279	/nfs/dbraw/zinc/91/72/79/1005917279.db2.gz	WHFAIUGYYJUGIU-SSDOTTSWSA-N	-1	0	316.321	0.038	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2CCC[C@H]2C2CC2)c(=O)[n-]c1=O	ZINC001418005049	1005953037	/nfs/dbraw/zinc/95/30/37/1005953037.db2.gz	BSFRLNDCMWCXAS-AAEUAGOBSA-N	-1	0	316.361	0.763	20	30		DCEDRM
CCC(C)(C)CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434796731	1005980883	/nfs/dbraw/zinc/98/08/83/1005980883.db2.gz	QGHXDMOKKQPEOX-UHFFFAOYSA-N	-1	0	307.354	0.556	20	30		DCEDRM
CC(=O)N[C@H](CC1CCC1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001418236770	1006223382	/nfs/dbraw/zinc/22/33/82/1006223382.db2.gz	MAUCPZRMGOJNEF-SNVBAGLBSA-N	-1	0	300.322	0.786	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCc1ncnn1C	ZINC001452374894	1006781433	/nfs/dbraw/zinc/78/14/33/1006781433.db2.gz	RUDZWGWKRKKDIN-UHFFFAOYSA-N	-1	0	300.322	0.458	20	30		DCEDRM
CCCCOCCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001440408953	1007736614	/nfs/dbraw/zinc/73/66/14/1007736614.db2.gz	VLHNIIYBJRREDX-UHFFFAOYSA-N	-1	0	322.365	0.534	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(c2ncccn2)CC1	ZINC001440474380	1007811312	/nfs/dbraw/zinc/81/13/12/1007811312.db2.gz	YUNZMCINBVBHOI-UHFFFAOYSA-N	-1	0	324.344	0.720	20	30		DCEDRM
CCc1nc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)sc1C	ZINC001440659066	1007944813	/nfs/dbraw/zinc/94/48/13/1007944813.db2.gz	PDQYNQFLHHFCEE-UHFFFAOYSA-N	-1	0	319.346	0.787	20	30		DCEDRM
CCOC(=O)c1c(C)ccnc1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001421405640	1008535713	/nfs/dbraw/zinc/53/57/13/1008535713.db2.gz	AGEGUKDMPSRNHW-UHFFFAOYSA-N	-1	0	314.301	0.337	20	30		DCEDRM
CCCC[C@](C)(F)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001453839783	1008751884	/nfs/dbraw/zinc/75/18/84/1008751884.db2.gz	CPYJDGPGSRWIIM-AWEZNQCLSA-N	-1	0	310.329	0.855	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCc2nc(N)ncc2C1	ZINC001433922613	1009353890	/nfs/dbraw/zinc/35/38/90/1009353890.db2.gz	JMFYSAZXCJKRHG-UHFFFAOYSA-N	-1	0	310.317	0.538	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2C[C@H](CO)[C@H](CO)C2)cc1C#N	ZINC001454999508	1009436313	/nfs/dbraw/zinc/43/63/13/1009436313.db2.gz	NOODNTIOLKGEJH-AOOOYVTPSA-N	-1	0	323.374	0.054	20	30		DCEDRM
Cc1occc1CN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001442608861	1009519264	/nfs/dbraw/zinc/51/92/64/1009519264.db2.gz	IOBRMQPGRIYDBJ-UHFFFAOYSA-N	-1	0	316.317	0.771	20	30		DCEDRM
CCO[C@@H]1CCC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434072132	1009524925	/nfs/dbraw/zinc/52/49/25/1009524925.db2.gz	JQOZTWFJPMEPMH-VXGBXAGGSA-N	-1	0	320.349	0.284	20	30		DCEDRM
CO[C@@](C)([C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001434084847	1009539873	/nfs/dbraw/zinc/53/98/73/1009539873.db2.gz	ZJBRBGOMCMTPFO-VFZGTOFNSA-N	-1	0	320.349	0.140	20	30		DCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N(CCF)CCOC	ZINC001520387182	1017272017	/nfs/dbraw/zinc/27/20/17/1017272017.db2.gz	ZKDMBYGPXWNOPT-UHFFFAOYSA-N	-1	0	324.360	0.993	20	30		DCEDRM
COC(=O)c1coc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)n1	ZINC001434152555	1009615031	/nfs/dbraw/zinc/61/50/31/1009615031.db2.gz	RCESPFDHMLQIGT-UHFFFAOYSA-N	-1	0	316.273	0.672	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCc2cnc(N)nc2C1	ZINC001434186600	1009644877	/nfs/dbraw/zinc/64/48/77/1009644877.db2.gz	MWXCJDHDRJSCAS-UHFFFAOYSA-N	-1	0	310.317	0.538	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)CC1	ZINC001455972128	1010058692	/nfs/dbraw/zinc/05/86/92/1010058692.db2.gz	DSCLIHJLIJGIKB-CNDDSTCGSA-N	-1	0	305.334	0.362	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc2c1COCC2	ZINC001515188576	1017105071	/nfs/dbraw/zinc/10/50/71/1017105071.db2.gz	IMABNMVMZPKXSM-ZDUSSCGKSA-N	-1	0	302.330	0.844	20	30		DCEDRM
C=CCn1cc(CNS(=O)(=O)c2cc([O-])cc(F)c2)nn1	ZINC001475414137	1017105467	/nfs/dbraw/zinc/10/54/67/1017105467.db2.gz	MAFGATKCFZQKLG-UHFFFAOYSA-N	-1	0	312.326	0.787	20	30		DCEDRM
CCC(CC)(CCO)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001445629316	1012024732	/nfs/dbraw/zinc/02/47/32/1012024732.db2.gz	ULPAQJLMRDMQDP-UHFFFAOYSA-N	-1	0	322.365	0.126	20	30		DCEDRM
Cc1ccsc1[C@@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001458231040	1012113490	/nfs/dbraw/zinc/11/34/90/1012113490.db2.gz	KWFLCZXLPDZJRI-SECBINFHSA-N	-1	0	306.347	0.461	20	30		DCEDRM
CO[C@H](C)c1nc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cs1	ZINC001458235690	1012114669	/nfs/dbraw/zinc/11/46/69/1012114669.db2.gz	UDABLWKSIWQTTI-SSDOTTSWSA-N	-1	0	321.362	0.721	20	30		DCEDRM
Cc1c(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cccc1[N+](=O)[O-]	ZINC001458316320	1012136324	/nfs/dbraw/zinc/13/63/24/1012136324.db2.gz	SMWPRAFOXKWEDD-UHFFFAOYSA-N	-1	0	315.289	0.774	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc3[nH]ccc3c2)c(=O)[n-]c1=O	ZINC001557600307	1012285586	/nfs/dbraw/zinc/28/55/86/1012285586.db2.gz	KBIIATCTBLPABK-UHFFFAOYSA-N	-1	0	323.312	0.732	20	30		DCEDRM
Cc1ccc2c(Cn3c(=O)[n-]cc(C#N)c3=O)cc(=O)oc2c1	ZINC001559428627	1012421683	/nfs/dbraw/zinc/42/16/83/1012421683.db2.gz	POCBAEJGGNDESP-UHFFFAOYSA-N	-1	0	309.281	0.871	20	30		DCEDRM
N#Cc1c2ccccc2[nH]c1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC001542946100	1012495654	/nfs/dbraw/zinc/49/56/54/1012495654.db2.gz	HFJLCMYZHZDDGZ-GFCCVEGCSA-N	-1	0	323.316	0.766	20	30		DCEDRM
CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001446080461	1012589504	/nfs/dbraw/zinc/58/95/04/1012589504.db2.gz	KYZYONSTPYVNCC-DVVUODLYSA-N	-1	0	319.365	0.693	20	30		DCEDRM
CCOC(=O)[C@@H](NCc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1	ZINC001460075269	1012852602	/nfs/dbraw/zinc/85/26/02/1012852602.db2.gz	GJWAGTHPUVOILC-ZDUSSCGKSA-N	-1	0	315.333	0.738	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(CS(C)(=O)=O)cc1	ZINC001516656463	1017154109	/nfs/dbraw/zinc/15/41/09/1017154109.db2.gz	DPJKUMDFMACNMO-CYBMUJFWSA-N	-1	0	320.370	0.856	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001506655821	1017441276	/nfs/dbraw/zinc/44/12/76/1017441276.db2.gz	VARCGUPIUUDPIT-JTQLQIEISA-N	-1	0	305.382	0.803	20	30		DCEDRM
C=CCOCC(=O)NC[C@H](NC(=O)c1[nH]nc(C)c1[O-])C(C)C	ZINC001500771007	1018648026	/nfs/dbraw/zinc/64/80/26/1018648026.db2.gz	HZTTYGKEEJLGSI-NSHDSACASA-N	-1	0	324.381	0.497	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001498394730	1019053370	/nfs/dbraw/zinc/05/33/70/1019053370.db2.gz	YPWOAAGWTFUHRC-HNNXBMFYSA-N	-1	0	306.366	0.967	20	30		DCEDRM
O=C(C#CC1CC1)NCC[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC001494014816	1019920483	/nfs/dbraw/zinc/92/04/83/1019920483.db2.gz	YNBSSNTVRWTXDK-GFCCVEGCSA-N	-1	0	303.366	0.252	20	30		DCEDRM
Cc1cc(N2CC[C@@H](N(CC#N)CCC(=O)[O-])C2=O)n(C)n1	ZINC001607685408	1170495421	/nfs/dbraw/zinc/49/54/21/1170495421.db2.gz	XJMFLOGPBOSZIY-LLVKDONJSA-N	-1	0	305.338	0.134	20	30		DCEDRM
Cc1onc(CC(=O)NC2(CC(=O)[O-])CCOCC2)c1C#N	ZINC001608058717	1170562731	/nfs/dbraw/zinc/56/27/31/1170562731.db2.gz	OTZMYOPAZHTFCF-UHFFFAOYSA-N	-1	0	307.306	0.537	20	30		DCEDRM
Cn1nccc1CCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001608165690	1170605749	/nfs/dbraw/zinc/60/57/49/1170605749.db2.gz	QNNINUAJPZWTMO-UHFFFAOYSA-N	-1	0	305.338	0.363	20	30		DCEDRM
CC[C@@H](CC#N)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000183795664	529447227	/nfs/dbraw/zinc/44/72/27/529447227.db2.gz	HEFYXBHNWDDJSJ-QMMMGPOBSA-N	-1	0	301.306	0.754	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC001645941757	1172190633	/nfs/dbraw/zinc/19/06/33/1172190633.db2.gz	BVYSNIVOZORTKO-ZCFIWIBFSA-N	-1	0	301.349	0.202	20	30		DCEDRM
N#C[C@@H]1COCCN1C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1	ZINC000267082684	238217134	/nfs/dbraw/zinc/21/71/34/238217134.db2.gz	KMRQTLZUINCMNK-SECBINFHSA-N	-1	0	316.342	0.989	20	30		DCEDRM
Cc1nnc([S-])n(N=CCCNC(=O)OC(C)(C)C)c1=O	ZINC000493755231	241153498	/nfs/dbraw/zinc/15/34/98/241153498.db2.gz	JPKGACUPYKDYAR-UHFFFAOYSA-N	-1	0	313.383	0.984	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000274979000	212055597	/nfs/dbraw/zinc/05/55/97/212055597.db2.gz	LKLGVVPHESANKD-UHFFFAOYSA-N	-1	0	324.358	0.718	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)OC)cc1	ZINC000496343313	533074599	/nfs/dbraw/zinc/07/45/99/533074599.db2.gz	LZCDQAFPNYYFAL-UHFFFAOYSA-N	-1	0	310.331	0.948	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2ccccc2CC#N)c1C(N)=O	ZINC000355888444	533672565	/nfs/dbraw/zinc/67/25/65/533672565.db2.gz	QOUIQNWJQNSSAE-UHFFFAOYSA-N	-1	0	319.346	0.684	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)CCc2ccc(C#N)cc2)n[n-]1	ZINC000101664406	395766140	/nfs/dbraw/zinc/76/61/40/395766140.db2.gz	BFJAGISLIOXGHG-UHFFFAOYSA-N	-1	0	319.346	0.651	20	30		DCEDRM
C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)[N-]S(C)(=O)=O)C2=O	ZINC000048479509	395815650	/nfs/dbraw/zinc/81/56/50/395815650.db2.gz	RMXIDGLXSAIXMF-UFBFGSQYSA-N	-1	0	317.367	0.403	20	30		DCEDRM
COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccnc1C#N	ZINC000234541886	395888121	/nfs/dbraw/zinc/88/81/21/395888121.db2.gz	VNYAPAWUNAVYKN-JTQLQIEISA-N	-1	0	311.363	0.819	20	30		DCEDRM
COC(=O)Cn1cc([N-]S(=O)(=O)c2ccccc2C#N)cn1	ZINC000054040615	395892638	/nfs/dbraw/zinc/89/26/38/395892638.db2.gz	RXJYOLGGSDQXNM-UHFFFAOYSA-N	-1	0	320.330	0.729	20	30		DCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000187723125	396373597	/nfs/dbraw/zinc/37/35/97/396373597.db2.gz	YJGFTGYDLCJSDZ-UHFFFAOYSA-N	-1	0	316.293	0.554	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)o1	ZINC000293027197	396583623	/nfs/dbraw/zinc/58/36/23/396583623.db2.gz	ISQWOPFINYEHLU-MRVPVSSYSA-N	-1	0	323.334	0.131	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000595237744	396567793	/nfs/dbraw/zinc/56/77/93/396567793.db2.gz	IQUMQODFBXLWKR-UHFFFAOYSA-N	-1	0	304.306	0.726	20	30		DCEDRM
C=CCCSCCNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000595276040	396576905	/nfs/dbraw/zinc/57/69/05/396576905.db2.gz	KFBDNIDEFDZXQJ-GHMZBOCLSA-N	-1	0	314.407	0.591	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1n[n-]c(=O)o1	ZINC000595547736	396628700	/nfs/dbraw/zinc/62/87/00/396628700.db2.gz	RHUUPZKGQUWHOG-LBPRGKRZSA-N	-1	0	302.290	0.993	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000595547320	396629174	/nfs/dbraw/zinc/62/91/74/396629174.db2.gz	RXSOBHZBQRGLEX-GFCCVEGCSA-N	-1	0	318.333	0.713	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O	ZINC000586660920	396662227	/nfs/dbraw/zinc/66/22/27/396662227.db2.gz	WAYZBYBTZKXDHL-UHFFFAOYSA-N	-1	0	321.318	0.190	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@H]2COCCC2=O)c1	ZINC000625493743	396895261	/nfs/dbraw/zinc/89/52/61/396895261.db2.gz	WBXGOXJHFXEUCO-LBPRGKRZSA-N	-1	0	312.322	0.475	20	30		DCEDRM
CO[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)[C@](C)(C(=O)[O-])C1	ZINC000600661706	396908743	/nfs/dbraw/zinc/90/87/43/396908743.db2.gz	YHLVMVOFBQMNAH-JQWIXIFHSA-N	-1	0	316.379	0.574	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCn2ccnn2)c(F)c1	ZINC000611791146	396930255	/nfs/dbraw/zinc/93/02/55/396930255.db2.gz	LIPVCAHRJDKHOZ-UHFFFAOYSA-N	-1	0	313.289	0.406	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C#N)CC[C@H]1C(=O)[O-]	ZINC000600798029	396943592	/nfs/dbraw/zinc/94/35/92/396943592.db2.gz	PGLNWPQREWHICK-GHMZBOCLSA-N	-1	0	309.366	0.564	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC[C@@H]1C(=O)[O-]	ZINC000600799375	396943641	/nfs/dbraw/zinc/94/36/41/396943641.db2.gz	VXURNEOVAIAFRC-JRPNMDOOSA-N	-1	0	307.350	0.318	20	30		DCEDRM
CC[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@@H](O)C(C)C	ZINC000600843085	396956574	/nfs/dbraw/zinc/95/65/74/396956574.db2.gz	WUVNVANUIMQKNU-AAEUAGOBSA-N	-1	0	322.365	0.122	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCc2cnc(C)n2C1)C(=O)[O-]	ZINC000630188488	396956856	/nfs/dbraw/zinc/95/68/56/396956856.db2.gz	XGVDBYYMADZPMY-WCQYABFASA-N	-1	0	307.350	0.526	20	30		DCEDRM
C[C@H]1CCC[C@](C#N)(NS(=O)(=O)CCCS(N)(=O)=O)C1	ZINC000349446409	397073496	/nfs/dbraw/zinc/07/34/96/397073496.db2.gz	HSQJBEDSCWODPC-QWRGUYRKSA-N	-1	0	323.440	0.057	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000598745829	397288335	/nfs/dbraw/zinc/28/83/35/397288335.db2.gz	QQHVYRWQRQSNRK-AWEZNQCLSA-N	-1	0	324.337	0.995	20	30		DCEDRM
Cc1ccc(CN(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC000602036024	397288956	/nfs/dbraw/zinc/28/89/56/397288956.db2.gz	MXWOMAHTWQNVLI-UHFFFAOYSA-N	-1	0	312.329	0.788	20	30		DCEDRM
Cc1cccc2c1N(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)CC2	ZINC000602116026	397307527	/nfs/dbraw/zinc/30/75/27/397307527.db2.gz	LCTMZIAYJXSEIR-UHFFFAOYSA-N	-1	0	310.313	0.718	20	30		DCEDRM
CSC[C@H]1CCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602121408	397309956	/nfs/dbraw/zinc/30/99/56/397309956.db2.gz	JXWUPSRZCNLHBN-SNVBAGLBSA-N	-1	0	308.363	0.175	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC3(CC3(F)F)CC2)c(=O)[n-]c1=O	ZINC000602173956	397333685	/nfs/dbraw/zinc/33/36/85/397333685.db2.gz	UOPCTGXFUKANEU-UHFFFAOYSA-N	-1	0	324.287	0.468	20	30		DCEDRM
CC[C@@H]1CC[C@@H](C)N(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602183617	397335680	/nfs/dbraw/zinc/33/56/80/397335680.db2.gz	PJEPLNPHSYGOPZ-GHMZBOCLSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CN(C[C@H]1CC1(C)C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602191977	397339772	/nfs/dbraw/zinc/33/97/72/397339772.db2.gz	ZOAHNRQOINYLDF-LLVKDONJSA-N	-1	0	304.350	0.715	20	30		DCEDRM
N#Cc1cnccc1N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC000593327976	397352583	/nfs/dbraw/zinc/35/25/83/397352583.db2.gz	ONURZKWIFOARKR-NSHDSACASA-N	-1	0	314.345	0.855	20	30		DCEDRM
CCC1(CC)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602154187	397324983	/nfs/dbraw/zinc/32/49/83/397324983.db2.gz	ANFBSNRVASSULU-UHFFFAOYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
CC1(C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H]2CCC[C@H]21	ZINC000602155771	397326023	/nfs/dbraw/zinc/32/60/23/397326023.db2.gz	RITXQFPXFNOAQS-VXGBXAGGSA-N	-1	0	316.361	0.858	20	30		DCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)s1	ZINC000578403957	397431393	/nfs/dbraw/zinc/43/13/93/397431393.db2.gz	NFKRVLWGACEZTL-QMMMGPOBSA-N	-1	0	304.349	0.340	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)CCF)c(F)c1	ZINC000593656678	397419412	/nfs/dbraw/zinc/41/94/12/397419412.db2.gz	OCLGULMODPXKJQ-MRVPVSSYSA-N	-1	0	308.281	0.835	20	30		DCEDRM
CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000495874535	397562934	/nfs/dbraw/zinc/56/29/34/397562934.db2.gz	IQRSPNGNFTVJQU-VIFPVBQESA-N	-1	0	319.383	0.649	20	30		DCEDRM
Cc1c(/C=C/C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cnn1C	ZINC000492624729	397523667	/nfs/dbraw/zinc/52/36/67/397523667.db2.gz	TVPCXEVPZJNFLS-SNAWJCMRSA-N	-1	0	322.390	0.882	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)CC[C@H]1C(=O)[O-]	ZINC000599940786	397547001	/nfs/dbraw/zinc/54/70/01/397547001.db2.gz	QZFRIIZPMVRYIM-WDEREUQCSA-N	-1	0	309.366	0.612	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc(F)c(F)c2F)c(=O)[n-]c1=O	ZINC000603918611	397628343	/nfs/dbraw/zinc/62/83/43/397628343.db2.gz	DFRRBVROQXWNDO-UHFFFAOYSA-N	-1	0	324.218	0.877	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CCO1	ZINC000609549481	397781799	/nfs/dbraw/zinc/78/17/99/397781799.db2.gz	OWHJQBKRMGSMIJ-NSHDSACASA-N	-1	0	300.274	0.394	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)ccc1F	ZINC000085856008	158090664	/nfs/dbraw/zinc/09/06/64/158090664.db2.gz	XJJNDIFXBXVHIM-GFCCVEGCSA-N	-1	0	314.294	0.219	20	30		DCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000317421023	159004190	/nfs/dbraw/zinc/00/41/90/159004190.db2.gz	KNEKQLJWQOJJMJ-UHFFFAOYSA-N	-1	0	320.330	0.864	20	30		DCEDRM
CN1C[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1=O	ZINC000342582230	415218035	/nfs/dbraw/zinc/21/80/35/415218035.db2.gz	GMNNWRGVIFCFOB-MRVPVSSYSA-N	-1	0	315.301	0.345	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCCC(=O)N(C)C)cc1C#N	ZINC000342970253	415380964	/nfs/dbraw/zinc/38/09/64/415380964.db2.gz	JDXYTFZRBFSZGJ-UHFFFAOYSA-N	-1	0	322.390	0.979	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)[N-]OC[C@@H]2CCOC2)cc1	ZINC000276325691	415470647	/nfs/dbraw/zinc/47/06/47/415470647.db2.gz	RVHWWPIZUQJAGR-GFCCVEGCSA-N	-1	0	303.318	0.372	20	30		DCEDRM
Cc1nc(=NC(=O)CNC(=O)c2ccc(C#N)cc2)s[n-]1	ZINC000353989663	415712607	/nfs/dbraw/zinc/71/26/07/415712607.db2.gz	DDTBZEXIXLMPPL-UHFFFAOYSA-N	-1	0	301.331	0.509	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)o1	ZINC000354092264	415748282	/nfs/dbraw/zinc/74/82/82/415748282.db2.gz	LTUBFOOSILBGJO-UHFFFAOYSA-N	-1	0	310.291	0.472	20	30		DCEDRM
C[C@@H](C(=O)N=c1nc(C(C)(C)C)[n-]s1)n1cnc(C#N)n1	ZINC000336942812	415869960	/nfs/dbraw/zinc/86/99/60/415869960.db2.gz	ZQSWYLJVVMSYHN-ZETCQYMHSA-N	-1	0	305.367	0.920	20	30		DCEDRM
C#CCNC(=O)[C@H](C)N(C)Cc1nc(=O)c2sccc2[n-]1	ZINC000131557155	415929782	/nfs/dbraw/zinc/92/97/82/415929782.db2.gz	DOHOPNQVEUXVAD-VIFPVBQESA-N	-1	0	304.375	0.554	20	30		DCEDRM
COC(=O)c1cc([N-]S(=O)(=O)c2cncc(C#N)c2)cn1C	ZINC000357155807	416038837	/nfs/dbraw/zinc/03/88/37/416038837.db2.gz	YHCCECHYLSLJNU-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(N)=O)cn1	ZINC000357546965	416095314	/nfs/dbraw/zinc/09/53/14/416095314.db2.gz	QIFINXXZRHVCGP-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
COCCOCCS(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000339073578	416151347	/nfs/dbraw/zinc/15/13/47/416151347.db2.gz	KPAUQZMOQZBCTH-UHFFFAOYSA-N	-1	0	302.356	0.201	20	30		DCEDRM
C[C@H](CNC(=O)CSc1n[nH]c(=O)[n-]1)N1CCCCC1=O	ZINC000329311271	416163724	/nfs/dbraw/zinc/16/37/24/416163724.db2.gz	GEDZVVVDIKHSCP-MRVPVSSYSA-N	-1	0	313.383	0.960	20	30		DCEDRM
CC(C)(C)c1nc(=NC(=O)NC[C@@H]2COCCO2)s[n-]1	ZINC000330811117	416241028	/nfs/dbraw/zinc/24/10/28/416241028.db2.gz	MWXZVSAZWUPYMQ-MRVPVSSYSA-N	-1	0	300.384	0.999	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000331328248	416305832	/nfs/dbraw/zinc/30/58/32/416305832.db2.gz	NMASYBUOILLZPE-VIFPVBQESA-N	-1	0	309.326	0.171	20	30		DCEDRM
CCN(CCC#N)C(=O)CN1CCCC[C@H]1c1n[nH]c(=O)[n-]1	ZINC000331329592	416306211	/nfs/dbraw/zinc/30/62/11/416306211.db2.gz	OCPOAJRXSXGYPM-NSHDSACASA-N	-1	0	306.370	0.799	20	30		DCEDRM
Cc1cc(N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc(C#N)n1	ZINC000416442694	416369898	/nfs/dbraw/zinc/36/98/98/416369898.db2.gz	GABCSOXNGJTBLD-KBPBESRZSA-N	-1	0	316.361	0.806	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)CC1	ZINC000422832111	416447294	/nfs/dbraw/zinc/44/72/94/416447294.db2.gz	XOYNOAPXUPULPT-AAEUAGOBSA-N	-1	0	308.378	0.980	20	30		DCEDRM
C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000422877555	416448244	/nfs/dbraw/zinc/44/82/44/416448244.db2.gz	RQLHHHTZRRDFAX-LBPRGKRZSA-N	-1	0	320.345	0.770	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)c(F)c1	ZINC000422678333	416448726	/nfs/dbraw/zinc/44/87/26/416448726.db2.gz	NIUMSQDLMINRDQ-JTQLQIEISA-N	-1	0	319.292	0.959	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000584175940	416506247	/nfs/dbraw/zinc/50/62/47/416506247.db2.gz	QDIUBSNUFQYQFT-RQJHMYQMSA-N	-1	0	317.289	0.460	20	30		DCEDRM
CSCc1noc(CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC000438304738	416598676	/nfs/dbraw/zinc/59/86/76/416598676.db2.gz	OPJIUFNUOZYXSQ-UHFFFAOYSA-N	-1	0	317.334	0.970	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)C1CCCC1	ZINC000491417819	416599326	/nfs/dbraw/zinc/59/93/26/416599326.db2.gz	OUCHDHPAPQZXSA-GXTWGEPZSA-N	-1	0	320.389	0.960	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC000491696942	416616601	/nfs/dbraw/zinc/61/66/01/416616601.db2.gz	PAUZTGIVFGQREQ-JTQLQIEISA-N	-1	0	311.345	0.970	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1	ZINC000424399242	416639971	/nfs/dbraw/zinc/63/99/71/416639971.db2.gz	PXVCLFGAZZAECX-WNYYMSAVSA-N	-1	0	307.350	0.554	20	30		DCEDRM
C[C@@H]1CCC[C@@](NS(=O)(=O)N(C)CCC#N)(C(=O)[O-])C1	ZINC000548837627	416692291	/nfs/dbraw/zinc/69/22/91/416692291.db2.gz	IJAMJGNJDLGYRP-PWSUYJOCSA-N	-1	0	303.384	0.700	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C	ZINC000569109323	417217238	/nfs/dbraw/zinc/21/72/38/417217238.db2.gz	YUSLFYPXZGIIJW-VWYCJHECSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F	ZINC000570455129	417356196	/nfs/dbraw/zinc/35/61/96/417356196.db2.gz	MODBLMIRTDIYJI-HTQZYQBOSA-N	-1	0	313.326	0.411	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](COC)(C(=O)[O-])C2)C1	ZINC000633069279	417339570	/nfs/dbraw/zinc/33/95/70/417339570.db2.gz	KPFGDFJMACLMGV-MLGOLLRUSA-N	-1	0	324.377	0.361	20	30		DCEDRM
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000529022593	417410389	/nfs/dbraw/zinc/41/03/89/417410389.db2.gz	SEMWEMZDEYHYGV-BSTOTGJRSA-N	-1	0	323.374	0.818	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC(CC#N)CC2)C1	ZINC000576218984	417589428	/nfs/dbraw/zinc/58/94/28/417589428.db2.gz	JWMZPDAHCHDGRM-DGCLKSJQSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C=CCN(C(=O)C(=O)N1CCC(C(=O)[O-])CC1)[C@@H](C)COC	ZINC000662913585	417948996	/nfs/dbraw/zinc/94/89/96/417948996.db2.gz	QYGKBAVQTDTXJD-NSHDSACASA-N	-1	0	312.366	0.359	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000646953098	417960281	/nfs/dbraw/zinc/96/02/81/417960281.db2.gz	UMKKDMSBVGWFSS-SECBINFHSA-N	-1	0	324.406	0.087	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])nn1	ZINC000655597980	418279524	/nfs/dbraw/zinc/27/95/24/418279524.db2.gz	YFXBPBMTRBGQMF-LBPRGKRZSA-N	-1	0	315.333	0.675	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CCC[C@H](C)O1)C(=O)[O-]	ZINC000656598065	418366289	/nfs/dbraw/zinc/36/62/89/418366289.db2.gz	YEUAZIIGPSBZDZ-TUAOUCFPSA-N	-1	0	300.355	0.899	20	30		DCEDRM
N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)c1	ZINC000420529152	262374743	/nfs/dbraw/zinc/37/47/43/262374743.db2.gz	LGUZQWPIQZTYLW-ZDUSSCGKSA-N	-1	0	315.329	0.498	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC(C)(C)c1nnn[n-]1	ZINC000359785068	267198816	/nfs/dbraw/zinc/19/88/16/267198816.db2.gz	JRSAOEBYBHCFSS-VIFPVBQESA-N	-1	0	300.322	0.890	20	30		DCEDRM
COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000437338433	267370102	/nfs/dbraw/zinc/37/01/02/267370102.db2.gz	GGLGZGGTCRPQIV-UHFFFAOYSA-N	-1	0	321.318	0.124	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\C2CCOCC2)cn1	ZINC000492665062	268254509	/nfs/dbraw/zinc/25/45/09/268254509.db2.gz	ZBXYOAHJGJKTTP-RJRFIUFISA-N	-1	0	321.358	0.741	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)c1	ZINC000548205826	288121140	/nfs/dbraw/zinc/12/11/40/288121140.db2.gz	OFEIQFKYSPPSOL-JQWIXIFHSA-N	-1	0	310.331	0.326	20	30		DCEDRM
N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-]	ZINC000548207199	288121177	/nfs/dbraw/zinc/12/11/77/288121177.db2.gz	GOMBZDDQLDTQKP-VIFPVBQESA-N	-1	0	318.738	0.326	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2ccnc(C#N)c2)C1=O	ZINC000416445871	280187255	/nfs/dbraw/zinc/18/72/55/280187255.db2.gz	NDEKKOHIBIYYOJ-CHWSQXEVSA-N	-1	0	302.334	0.497	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C#N)c(C)c1C(=O)[O-]	ZINC000273855859	301675959	/nfs/dbraw/zinc/67/59/59/301675959.db2.gz	YRADCFYYQNSUCJ-LLVKDONJSA-N	-1	0	324.358	0.915	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1C#N	ZINC000364406884	302011511	/nfs/dbraw/zinc/01/15/11/302011511.db2.gz	CCNWRVQVNFULEP-NSHDSACASA-N	-1	0	324.358	0.731	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2CCCCC[C@H]2C(=O)[O-])c1	ZINC000290763306	303213913	/nfs/dbraw/zinc/21/39/13/303213913.db2.gz	ZPQZZIAYXLBHRQ-LBPRGKRZSA-N	-1	0	309.347	0.971	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c1	ZINC000290755409	303214159	/nfs/dbraw/zinc/21/41/59/303214159.db2.gz	YSXADMMJEBPTLJ-CYZMBNFOSA-N	-1	0	321.358	0.827	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-]	ZINC000566312306	332335591	/nfs/dbraw/zinc/33/55/91/332335591.db2.gz	MDTKSYGFMAJFKE-KOLCDFICSA-N	-1	0	315.351	0.201	20	30		DCEDRM
C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1nc[nH]n1	ZINC000183207753	333183570	/nfs/dbraw/zinc/18/35/70/333183570.db2.gz	ITPBZPHETNHLQN-LURJTMIESA-N	-1	0	313.289	0.994	20	30		DCEDRM
Cn1cccc(N=C([O-])NC(C)(C)CCS(C)(=O)=O)c1=O	ZINC000331069662	334832675	/nfs/dbraw/zinc/83/26/75/334832675.db2.gz	RIWGKFYHQKVYSU-UHFFFAOYSA-N	-1	0	315.395	0.734	20	30		DCEDRM
COCc1nc2n(n1)C[C@H](NC(=O)N=c1cn[n-]s1)CC2	ZINC000330218889	336125704	/nfs/dbraw/zinc/12/57/04/336125704.db2.gz	JTVMZDVMZOPWNH-SSDOTTSWSA-N	-1	0	309.355	0.617	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)N(C)CCC#N)CC[C@H]1CCC(=O)[O-]	ZINC000584395232	337317229	/nfs/dbraw/zinc/31/72/29/337317229.db2.gz	QRSWUOGHLCZITC-NWDGAFQWSA-N	-1	0	317.411	0.899	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-]	ZINC000583875961	337368116	/nfs/dbraw/zinc/36/81/16/337368116.db2.gz	ZOFYDUGHYLTZSK-ZJUUUORDSA-N	-1	0	321.399	0.181	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000422897297	337690588	/nfs/dbraw/zinc/69/05/88/337690588.db2.gz	ZJIYPKFULCWQFT-BLLLJJGKSA-N	-1	0	324.377	0.361	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCN1C(=O)OC(C)(C)C	ZINC000496841007	340014272	/nfs/dbraw/zinc/01/42/72/340014272.db2.gz	RKIXTIRAMYDGTQ-SNVBAGLBSA-N	-1	0	316.379	0.465	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000514733918	337969605	/nfs/dbraw/zinc/96/96/05/337969605.db2.gz	SUEZCVIETGEMGY-MNOVXSKESA-N	-1	0	315.395	0.509	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000514733920	337969623	/nfs/dbraw/zinc/96/96/23/337969623.db2.gz	SUEZCVIETGEMGY-WDEREUQCSA-N	-1	0	315.395	0.509	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCC[C@@H]1CCCCO1)C(=O)[O-]	ZINC000514837010	337972680	/nfs/dbraw/zinc/97/26/80/337972680.db2.gz	XCIMTEWMMIAAEH-NWDGAFQWSA-N	-1	0	300.355	0.901	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccccc1COC)C(=O)[O-]	ZINC000543787546	341058887	/nfs/dbraw/zinc/05/88/87/341058887.db2.gz	KTWWRHFXZNWPRW-GFCCVEGCSA-N	-1	0	311.359	0.978	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(C(=O)NC)cc1	ZINC000132799590	341145803	/nfs/dbraw/zinc/14/58/03/341145803.db2.gz	WTNMPMIQZPWVEZ-RMKNXTFCSA-N	-1	0	308.359	0.691	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC000547923813	341239212	/nfs/dbraw/zinc/23/92/12/341239212.db2.gz	XWSGNODZOAYKRY-UHFFFAOYSA-N	-1	0	323.374	0.833	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NCCC(C)(C)CCC(=O)[O-]	ZINC000547935017	341239545	/nfs/dbraw/zinc/23/95/45/341239545.db2.gz	ODIKOAHRWMJNMC-UHFFFAOYSA-N	-1	0	305.400	0.947	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@](CC)(C(=O)[O-])C1	ZINC000565776858	341537839	/nfs/dbraw/zinc/53/78/39/341537839.db2.gz	HPLTUKUERYYJOU-AAEUAGOBSA-N	-1	0	317.411	0.899	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000566311376	341553786	/nfs/dbraw/zinc/55/37/86/341553786.db2.gz	BSTKAWMLPMCDGW-OUAUKWLOSA-N	-1	0	303.384	0.508	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)C[C@@H]1CCCS(=O)(=O)C1	ZINC001601069238	1159780462	/nfs/dbraw/zinc/78/04/62/1159780462.db2.gz	AYOCNMBEOGXJNO-JTQLQIEISA-N	-1	0	302.352	0.028	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC001602727979	1159785130	/nfs/dbraw/zinc/78/51/30/1159785130.db2.gz	JEKBFVMBRRPGBV-UHFFFAOYSA-N	-1	0	311.359	0.964	20	30		DCEDRM
COC(=O)c1coc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)c1	ZINC000338220789	534321123	/nfs/dbraw/zinc/32/11/23/534321123.db2.gz	HHRDJINMGHXOBT-UHFFFAOYSA-N	-1	0	324.318	0.977	20	30		DCEDRM
COCCn1cc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cn1	ZINC000269672458	522116777	/nfs/dbraw/zinc/11/67/77/522116777.db2.gz	ZHWGGWSCMKJOGM-UHFFFAOYSA-N	-1	0	307.335	0.597	20	30		DCEDRM
N#CCCCS(=O)(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC000370428970	534621371	/nfs/dbraw/zinc/62/13/71/534621371.db2.gz	VHSKWYQRCZSEDJ-VIFPVBQESA-N	-1	0	314.285	0.959	20	30		DCEDRM
COC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000128339624	523550681	/nfs/dbraw/zinc/55/06/81/523550681.db2.gz	OXSQPBLURRSKMD-ZCFIWIBFSA-N	-1	0	304.274	0.676	20	30		DCEDRM
COC(=O)[C@H](C)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124809239	523870150	/nfs/dbraw/zinc/87/01/50/523870150.db2.gz	WAEFKNZAPJEIKH-SSDOTTSWSA-N	-1	0	318.301	0.924	20	30		DCEDRM
CSCC[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159542195	525595175	/nfs/dbraw/zinc/59/51/75/525595175.db2.gz	YXOUEIMWNXNUTC-JTQLQIEISA-N	-1	0	315.376	0.438	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)[O-]	ZINC000262878773	526789387	/nfs/dbraw/zinc/78/93/87/526789387.db2.gz	BXWPTGCJPLJSAH-WCQYABFASA-N	-1	0	324.377	0.550	20	30		DCEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)CC(=O)[O-])c1	ZINC000262405195	527055128	/nfs/dbraw/zinc/05/51/28/527055128.db2.gz	KPEWBZGXEKAIGF-UHFFFAOYSA-N	-1	0	324.358	0.145	20	30		DCEDRM
C#CCOc1cccc(-n2c([O-])c(C(=O)OCC)[nH]c2=O)c1	ZINC000278302422	527116992	/nfs/dbraw/zinc/11/69/92/527116992.db2.gz	WSNRIKAXHBLZFI-GFCCVEGCSA-N	-1	0	302.286	0.687	20	30		DCEDRM
C=CCc1cc(C(=O)NC[C@](C)(O)C(=O)[O-])cc(OC)c1OC	ZINC000262502138	527233621	/nfs/dbraw/zinc/23/36/21/527233621.db2.gz	KSXHWCAIPPCRSU-INIZCTEOSA-N	-1	0	323.345	0.998	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1	ZINC000262107679	527452928	/nfs/dbraw/zinc/45/29/28/527452928.db2.gz	MKLYQOAKXVTSTQ-QWHCGFSZSA-N	-1	0	300.314	0.833	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000355989515	527552254	/nfs/dbraw/zinc/55/22/54/527552254.db2.gz	PYEXDQPDXATOIS-CYBMUJFWSA-N	-1	0	314.363	0.566	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1csc(C(=O)OC)c1	ZINC000275342201	527584299	/nfs/dbraw/zinc/58/42/99/527584299.db2.gz	RSPUJLZOXPQPQZ-UHFFFAOYSA-N	-1	0	319.360	0.796	20	30		DCEDRM
C=CCCOCC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000679095593	548024734	/nfs/dbraw/zinc/02/47/34/548024734.db2.gz	CSNDHKGHCLVCLB-LBPRGKRZSA-N	-1	0	312.366	0.361	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1c(CC)nn(C)c1CC	ZINC000681587282	548268651	/nfs/dbraw/zinc/26/86/51/548268651.db2.gz	ZYQIQLNOLXMNBB-UHFFFAOYSA-N	-1	0	315.395	0.806	20	30		DCEDRM
CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H]2C1	ZINC000820702757	597605294	/nfs/dbraw/zinc/60/52/94/597605294.db2.gz	DHZPGZFRZLMWAT-OXJKWZBOSA-N	-1	0	310.350	0.786	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)Nc1ccc(O)cc1	ZINC000819865865	597612655	/nfs/dbraw/zinc/61/26/55/597612655.db2.gz	OZXPTJQIEKYVPL-CQSZACIVSA-N	-1	0	306.274	0.878	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NCc1cccs1	ZINC000819865121	597617943	/nfs/dbraw/zinc/61/79/43/597617943.db2.gz	HVGWEYDJSSHZET-ZDUSSCGKSA-N	-1	0	310.331	0.912	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1nnnn1-c1ccccc1	ZINC000819873975	597621540	/nfs/dbraw/zinc/62/15/40/597621540.db2.gz	FTXBEZLTIVYNFW-CQSZACIVSA-N	-1	0	315.289	0.710	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(Cc2ccccn2)CC1	ZINC000819823433	597629543	/nfs/dbraw/zinc/62/95/43/597629543.db2.gz	UWEHZOBUJNYBTE-MRXNPFEDSA-N	-1	0	316.361	0.730	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1cn2c(n1)CCCC2	ZINC000819842764	597631124	/nfs/dbraw/zinc/63/11/24/597631124.db2.gz	SJSKCWDYSLJJDO-OAHLLOKOSA-N	-1	0	304.350	0.883	20	30		DCEDRM
CCN(CC)C(=O)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820338636	597633342	/nfs/dbraw/zinc/63/33/42/597633342.db2.gz	IBCOHWNGHVZCMQ-OAHLLOKOSA-N	-1	0	324.381	0.597	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](N2CCCCC2=O)C1	ZINC000819811762	597646408	/nfs/dbraw/zinc/64/64/08/597646408.db2.gz	VRYBCRKDXFKWNV-WBMJQRKESA-N	-1	0	321.377	0.994	20	30		DCEDRM
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000820377642	597650342	/nfs/dbraw/zinc/65/03/42/597650342.db2.gz	CKVWZPCQJCYIIN-YWPYICTPSA-N	-1	0	324.377	0.769	20	30		DCEDRM
Cn1cc([C@@H]2CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO2)cn1	ZINC000821287050	597654373	/nfs/dbraw/zinc/65/43/73/597654373.db2.gz	DAYJRRBLRDAUIT-FZMZJTMJSA-N	-1	0	306.322	0.325	20	30		DCEDRM
Cn1cc([C@]2(C)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2)cn1	ZINC000821287116	597658002	/nfs/dbraw/zinc/65/80/02/597658002.db2.gz	FCRZEVQRPGMFDK-CABCVRRESA-N	-1	0	320.349	0.499	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@]1(O)CCc2ccccc21	ZINC000819835842	597658871	/nfs/dbraw/zinc/65/88/71/597658871.db2.gz	YGKTUYKSOJJIMD-HOTGVXAUSA-N	-1	0	302.330	0.941	20	30		DCEDRM
CC(=O)NCCN(C(=O)Cc1cccc(C#N)c1)[C@H](C)C(=O)[O-]	ZINC000819746038	597690375	/nfs/dbraw/zinc/69/03/75/597690375.db2.gz	RYRBQZPRCXAMOL-LLVKDONJSA-N	-1	0	317.345	0.539	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1cc(C#N)cs1)[C@H](C)C(=O)[O-]	ZINC000819752795	597695004	/nfs/dbraw/zinc/69/50/04/597695004.db2.gz	HUIMGFMMLZVMMN-MRVPVSSYSA-N	-1	0	309.347	0.671	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1sccc1C#N)[C@H](C)C(=O)[O-]	ZINC000819762518	597696751	/nfs/dbraw/zinc/69/67/51/597696751.db2.gz	MPOHMGQUCCRDGO-MRVPVSSYSA-N	-1	0	309.347	0.671	20	30		DCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)NCC(=O)[O-]	ZINC000820194596	597832779	/nfs/dbraw/zinc/83/27/79/597832779.db2.gz	QCZGQEFKVMGZMB-SECBINFHSA-N	-1	0	306.274	0.070	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)CSCC(=O)[O-]	ZINC000820597380	598180970	/nfs/dbraw/zinc/18/09/70/598180970.db2.gz	MTPOLCBUZLEDAD-UHFFFAOYSA-N	-1	0	311.367	0.072	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000817883873	598195155	/nfs/dbraw/zinc/19/51/55/598195155.db2.gz	AOLXDCVFOMDARG-CYBMUJFWSA-N	-1	0	317.345	0.904	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000819706326	598224616	/nfs/dbraw/zinc/22/46/16/598224616.db2.gz	WRXITRKAWOMXGV-MRXNPFEDSA-N	-1	0	313.313	0.727	20	30		DCEDRM
CCc1nnc2n1C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000820503969	598226079	/nfs/dbraw/zinc/22/60/79/598226079.db2.gz	MKTMPQVWUBAEIU-LKFCYVNXSA-N	-1	0	305.338	0.276	20	30		DCEDRM
CN(C)C(=O)C1(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCCC1	ZINC000820524461	598227593	/nfs/dbraw/zinc/22/75/93/598227593.db2.gz	ZXUIGPLPXDPRNG-AWEZNQCLSA-N	-1	0	309.366	0.756	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)NCC2	ZINC000819857179	598227830	/nfs/dbraw/zinc/22/78/30/598227830.db2.gz	UDGBMLUZMOKHRO-HNNXBMFYSA-N	-1	0	301.302	0.916	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000819824481	598230438	/nfs/dbraw/zinc/23/04/38/598230438.db2.gz	YHOPYQWNGGOGOU-LRDDRELGSA-N	-1	0	321.377	0.898	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2Cc3ccccc32)[n-]c1-c1nn[nH]n1	ZINC000822815500	599314332	/nfs/dbraw/zinc/31/43/32/599314332.db2.gz	RQFIIKJDBRBEHP-VIFPVBQESA-N	-1	0	306.289	0.740	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)CCCNC(=O)[O-])c1	ZINC000736090735	599723772	/nfs/dbraw/zinc/72/37/72/599723772.db2.gz	IOQZUYQIRXZATI-UHFFFAOYSA-N	-1	0	303.318	0.770	20	30		DCEDRM
C=CCOc1ccc(C(=O)N(CC(=O)[O-])CC(=O)OC)cc1	ZINC000736109510	599750695	/nfs/dbraw/zinc/75/06/95/599750695.db2.gz	MJAQZJPKMCLPGM-UHFFFAOYSA-N	-1	0	307.302	0.951	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000736587305	599782944	/nfs/dbraw/zinc/78/29/44/599782944.db2.gz	VKPZZJPKNNBXRW-SSDOTTSWSA-N	-1	0	309.709	0.987	20	30		DCEDRM
N#C[C@@H](C(=O)CCSCC(=O)[O-])C(=O)Nc1ccccn1	ZINC000739074443	599798711	/nfs/dbraw/zinc/79/87/11/599798711.db2.gz	JMBBOAVHRPEKDU-VIFPVBQESA-N	-1	0	307.331	0.937	20	30		DCEDRM
Cn1ncc2c1ncn(N=Cc1cc(C(=O)[O-])ccc1O)c2=O	ZINC000739063268	599906883	/nfs/dbraw/zinc/90/68/83/599906883.db2.gz	YMPFJBHGUXLJMS-UHFFFAOYSA-N	-1	0	313.273	0.416	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CCO1	ZINC000229773176	599981240	/nfs/dbraw/zinc/98/12/40/599981240.db2.gz	XQXKYJJEGAQHDS-SECBINFHSA-N	-1	0	314.294	0.437	20	30		DCEDRM
O=C([O-])c1ccccc1NC(=O)Cn1ccc(C=NO)nc1=O	ZINC000739356596	600207542	/nfs/dbraw/zinc/20/75/42/600207542.db2.gz	LVUOXJYIKRZAOJ-UHFFFAOYSA-N	-1	0	316.273	0.388	20	30		DCEDRM
N#CCc1ccc(OC[C@H](O)CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000739093059	600230648	/nfs/dbraw/zinc/23/06/48/600230648.db2.gz	YZACRHQAUYSGIO-NFAWXSAZSA-N	-1	0	320.345	0.012	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)CNc1ccc(C#N)cc1	ZINC000737564072	600242810	/nfs/dbraw/zinc/24/28/10/600242810.db2.gz	GRUMWSXKWZWIIW-NSHDSACASA-N	-1	0	305.290	0.103	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)Cc1ccc(OCC#N)cc1	ZINC000737569148	600246583	/nfs/dbraw/zinc/24/65/83/600246583.db2.gz	YFXVXTZLASVYMP-GFCCVEGCSA-N	-1	0	320.301	0.264	20	30		DCEDRM
C[C@H](OC(=O)Cc1ccc(OCC#N)cc1)C(=O)NCC(=O)[O-]	ZINC000736691923	600369170	/nfs/dbraw/zinc/36/91/70/600369170.db2.gz	HSKLCRJJYDXERY-JTQLQIEISA-N	-1	0	320.301	0.264	20	30		DCEDRM
Cc1nc2ccnn2c(C)c1CCC(=O)N(CC#N)CC(=O)[O-]	ZINC000738878155	600406527	/nfs/dbraw/zinc/40/65/27/600406527.db2.gz	WVPVROGLUZQWFY-UHFFFAOYSA-N	-1	0	315.333	0.716	20	30		DCEDRM
N#Cc1ccc([C@@H](NCC(=O)NCC(F)(F)F)C(=O)[O-])cc1	ZINC000739108052	600595323	/nfs/dbraw/zinc/59/53/23/600595323.db2.gz	SSBKPSPYWYGTGG-LLVKDONJSA-N	-1	0	315.251	0.952	20	30		DCEDRM
CCOc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1C	ZINC000737211055	600763444	/nfs/dbraw/zinc/76/34/44/600763444.db2.gz	TXULYAGVJSDPTP-UHFFFAOYSA-N	-1	0	312.347	0.993	20	30		DCEDRM
CC(=O)Nc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000736166151	600764033	/nfs/dbraw/zinc/76/40/33/600764033.db2.gz	WUWAWAVLNJQCIC-UHFFFAOYSA-N	-1	0	311.319	0.244	20	30		DCEDRM
N#Cc1ccc(OCCNS(=O)(=O)CCCC(=O)[O-])cc1	ZINC000833072387	600772543	/nfs/dbraw/zinc/77/25/43/600772543.db2.gz	YAKUZHYSYOMHKF-UHFFFAOYSA-N	-1	0	312.347	0.721	20	30		DCEDRM
CCOC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC000737135379	600794144	/nfs/dbraw/zinc/79/41/44/600794144.db2.gz	JNSBUXUSQRWTIB-UONOGXRCSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C#CCN(CC#C)C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC000825609155	600981238	/nfs/dbraw/zinc/98/12/38/600981238.db2.gz	WSLWMQCXOIZMCO-UHFFFAOYSA-N	-1	0	300.314	0.861	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1ccn(-c2ccc(F)cc2)n1	ZINC000739078784	601021157	/nfs/dbraw/zinc/02/11/57/601021157.db2.gz	MTKOCYGIIUBDAL-UHFFFAOYSA-N	-1	0	316.292	0.991	20	30		DCEDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)CCC#N	ZINC000826807119	601119943	/nfs/dbraw/zinc/11/99/43/601119943.db2.gz	MYGLUBACWCWNKH-MNOVXSKESA-N	-1	0	313.354	0.972	20	30		DCEDRM
CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1cc(C#N)c[nH]1)C(=O)[O-]	ZINC000828714466	601430894	/nfs/dbraw/zinc/43/08/94/601430894.db2.gz	ARWLUMUQTAQQJX-PRHODGIISA-N	-1	0	307.306	0.659	20	30		DCEDRM
C#CCN(CC#C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000825608498	601434643	/nfs/dbraw/zinc/43/46/43/601434643.db2.gz	AWTXVHHHZMEFEB-MRXNPFEDSA-N	-1	0	310.353	0.593	20	30		DCEDRM
CC(C)(CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000826550502	601763929	/nfs/dbraw/zinc/76/39/29/601763929.db2.gz	GMFJFIOKFOGZBV-UHFFFAOYSA-N	-1	0	307.281	0.863	20	30		DCEDRM
C=C(Br)CNC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000161507407	601770557	/nfs/dbraw/zinc/77/05/57/601770557.db2.gz	HLFIHBWSBGGMJC-MRVPVSSYSA-N	-1	0	307.144	0.780	20	30		DCEDRM
C[C@@H](CS(=O)(=O)Oc1ccc(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000827571739	601782995	/nfs/dbraw/zinc/78/29/95/601782995.db2.gz	QKEBKWYRWCXAPW-ZETCQYMHSA-N	-1	0	314.275	0.896	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2ccc(C(=O)[O-])s2)c1=O	ZINC000830419949	601892198	/nfs/dbraw/zinc/89/21/98/601892198.db2.gz	JVVZCIOXEHEYAV-UHFFFAOYSA-N	-1	0	305.315	0.710	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C(=O)[O-]	ZINC000827460992	602254366	/nfs/dbraw/zinc/25/43/66/602254366.db2.gz	JGFHAOUFKVJXDO-QMMMGPOBSA-N	-1	0	323.280	0.503	20	30		DCEDRM
N#CCCn1ccc(NC(=O)N[C@H](CNC(=O)[O-])C2CC2)n1	ZINC000831097894	603335472	/nfs/dbraw/zinc/33/54/72/603335472.db2.gz	YDFWDVMVFOEFOB-SNVBAGLBSA-N	-1	0	306.326	0.964	20	30		DCEDRM
N#CCCn1ccc(NC(=O)N2CC[C@@H](CNC(=O)[O-])C2)n1	ZINC000831097009	603335565	/nfs/dbraw/zinc/33/55/65/603335565.db2.gz	BERLCBAKDRWUGP-JTQLQIEISA-N	-1	0	306.326	0.918	20	30		DCEDRM
CN(c1ncnc2c1cnn2CCC#N)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828442098	603522938	/nfs/dbraw/zinc/52/29/38/603522938.db2.gz	YUNUTGGNXDDKAP-SNVBAGLBSA-N	-1	0	315.337	0.928	20	30		DCEDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000824960318	603546605	/nfs/dbraw/zinc/54/66/05/603546605.db2.gz	RLTLCDZQLHJZMF-SNVBAGLBSA-N	-1	0	318.333	0.403	20	30		DCEDRM
C[C@@H](Sc1nncn1C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825623748	603589897	/nfs/dbraw/zinc/58/98/97/603589897.db2.gz	OTRYAVYTHVQUSS-RKDXNWHRSA-N	-1	0	324.366	0.010	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCOC[C@@H]1CCCO1	ZINC000831082769	603593357	/nfs/dbraw/zinc/59/33/57/603593357.db2.gz	QTJXKHCZZUZJSS-RYUDHWBXSA-N	-1	0	311.338	0.286	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)C(C)(C)CNC(=O)[O-])CC1	ZINC000824056211	603649834	/nfs/dbraw/zinc/64/98/34/603649834.db2.gz	KFSNCCBGROMNFY-LBPRGKRZSA-N	-1	0	310.398	0.973	20	30		DCEDRM
C[C@@H](CCNC(=O)CCNC(=O)C1N=CC=CC1=O)NC(=O)[O-]	ZINC000824785937	603721154	/nfs/dbraw/zinc/72/11/54/603721154.db2.gz	IMMLBWYIWAFEJP-XRNDOFNESA-N	-1	0	324.337	0.065	20	30		DCEDRM
COc1cccc(NC(=O)CN2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000829571842	603729256	/nfs/dbraw/zinc/72/92/56/603729256.db2.gz	RXZUMLIEAIKPMK-GFCCVEGCSA-N	-1	0	318.333	0.821	20	30		DCEDRM
CC(C)(C)CCS(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000823766021	603915321	/nfs/dbraw/zinc/91/53/21/603915321.db2.gz	DOKJGBUHNHCCNO-JTQLQIEISA-N	-1	0	303.384	0.940	20	30		DCEDRM
Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830591869	603916906	/nfs/dbraw/zinc/91/69/06/603916906.db2.gz	UEMRLLWSKRNBDQ-NSHDSACASA-N	-1	0	309.347	0.872	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1	ZINC000831097289	603920535	/nfs/dbraw/zinc/92/05/35/603920535.db2.gz	HQNROFZAIHYRAE-CQSZACIVSA-N	-1	0	312.345	0.430	20	30		DCEDRM
COC(=O)N(C)CCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000828698983	604081738	/nfs/dbraw/zinc/08/17/38/604081738.db2.gz	BDQSSKIOFBKDFJ-SNVBAGLBSA-N	-1	0	312.326	0.179	20	30		DCEDRM
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830812157	604081780	/nfs/dbraw/zinc/08/17/80/604081780.db2.gz	BTAQBZKGYFVUCJ-JTQLQIEISA-N	-1	0	319.277	0.626	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)[O-])[C@H](C)C2)c1	ZINC000823474971	604147761	/nfs/dbraw/zinc/14/77/61/604147761.db2.gz	SJUDEEMVYASXDW-LLVKDONJSA-N	-1	0	315.329	0.817	20	30		DCEDRM
C[C@@H]1CN(C(=O)Nc2nn(C)cc2C#N)C[C@@H](C)N1C(=O)[O-]	ZINC000826020981	604154061	/nfs/dbraw/zinc/15/40/61/604154061.db2.gz	PYQYYKDQBNVUMP-RKDXNWHRSA-N	-1	0	306.326	0.896	20	30		DCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC000824887927	604240699	/nfs/dbraw/zinc/24/06/99/604240699.db2.gz	FMDSYXBBJDGLAD-OTYXRUKQSA-N	-1	0	311.338	0.584	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000824887754	604241931	/nfs/dbraw/zinc/24/19/31/604241931.db2.gz	CPKMLVHRGCCFMK-YGRLFVJLSA-N	-1	0	313.354	0.830	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)CC2(NC(=O)[O-])CCC2)c1N	ZINC000831161929	604257328	/nfs/dbraw/zinc/25/73/28/604257328.db2.gz	QIXQVRCQRRKLPH-UHFFFAOYSA-N	-1	0	307.310	0.461	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])n1	ZINC000833078445	604337895	/nfs/dbraw/zinc/33/78/95/604337895.db2.gz	KMPBNIGKRRQPHW-QWRGUYRKSA-N	-1	0	305.338	0.690	20	30		DCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)N[C@](C)(C#N)C(C)C	ZINC000827016620	604401457	/nfs/dbraw/zinc/40/14/57/604401457.db2.gz	QOMLGNVEAUCCOW-IUODEOHRSA-N	-1	0	313.398	0.851	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)NC2CN(C(=O)[O-])C2)ccc1Cl	ZINC000740314371	604413139	/nfs/dbraw/zinc/41/31/39/604413139.db2.gz	VOFZUIYBMRQPBL-UHFFFAOYSA-N	-1	0	315.738	0.852	20	30		DCEDRM
Cc1nnc(N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)c(C#N)c1C	ZINC000830887962	604452539	/nfs/dbraw/zinc/45/25/39/604452539.db2.gz	YBBQAPLCHTYFPT-JQWIXIFHSA-N	-1	0	305.338	0.826	20	30		DCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833636394	604541100	/nfs/dbraw/zinc/54/11/00/604541100.db2.gz	QITPYJVPOVWBPC-QMMMGPOBSA-N	-1	0	313.291	0.873	20	30		DCEDRM
N#C[C@@H]1CN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CCO1	ZINC000833063130	604762645	/nfs/dbraw/zinc/76/26/45/604762645.db2.gz	SQJRXQVCZLDHJD-CYBMUJFWSA-N	-1	0	318.333	0.617	20	30		DCEDRM
N#Cc1cccc(NC(=O)COC(=O)C2(NC(=O)[O-])CC2)c1	ZINC000831152507	604763732	/nfs/dbraw/zinc/76/37/32/604763732.db2.gz	FMNCHJMUQQGZQV-UHFFFAOYSA-N	-1	0	303.274	0.840	20	30		DCEDRM
O=C([O-])N1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000832018683	604814347	/nfs/dbraw/zinc/81/43/47/604814347.db2.gz	OZEHBPYBBVGCRE-UHFFFAOYSA-N	-1	0	302.286	0.589	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833369628	605059023	/nfs/dbraw/zinc/05/90/23/605059023.db2.gz	BKUYZJKKTYNTQM-LBPRGKRZSA-N	-1	0	313.375	0.989	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(CCc2cn(CC(=O)[O-])nn2)CC1	ZINC000833466504	605073804	/nfs/dbraw/zinc/07/38/04/605073804.db2.gz	HQLNTGNJSKFGDI-AWEZNQCLSA-N	-1	0	320.397	0.071	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000833371463	605093327	/nfs/dbraw/zinc/09/33/27/605093327.db2.gz	SHPDQSCFMAIBQO-LLVKDONJSA-N	-1	0	320.345	0.933	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000833371951	605093465	/nfs/dbraw/zinc/09/34/65/605093465.db2.gz	ZTCYRTUCOOUNTL-GFCCVEGCSA-N	-1	0	320.345	0.553	20	30		DCEDRM
N#Cc1ccc(OCCCn2nnnc2CNC(=O)[O-])cc1	ZINC000831142305	605175866	/nfs/dbraw/zinc/17/58/66/605175866.db2.gz	VVENSIDVMFRXRS-UHFFFAOYSA-N	-1	0	302.294	0.781	20	30		DCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNC1CCS(=O)(=O)CC1	ZINC000833406881	605203700	/nfs/dbraw/zinc/20/37/00/605203700.db2.gz	PKMZOWHUKSJWHQ-SNVBAGLBSA-N	-1	0	313.379	0.634	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)CN(C(=O)[O-])c1ccccc1	ZINC000823456109	605309723	/nfs/dbraw/zinc/30/97/23/605309723.db2.gz	KFAWWQOTURJQFU-LLVKDONJSA-N	-1	0	304.302	0.852	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000833378603	605312336	/nfs/dbraw/zinc/31/23/36/605312336.db2.gz	QQBVEAFZOYSXER-SNVBAGLBSA-N	-1	0	306.384	0.386	20	30		DCEDRM
N#CCOc1cc(F)ccc1NC(=O)CNC(=O)CNC(=O)[O-]	ZINC000833967467	605352076	/nfs/dbraw/zinc/35/20/76/605352076.db2.gz	RMVZQNUKVHXAQB-UHFFFAOYSA-N	-1	0	324.268	0.050	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c(F)c1	ZINC000831131994	605359888	/nfs/dbraw/zinc/35/98/88/605359888.db2.gz	JFNQPTAUNMGMNF-SECBINFHSA-N	-1	0	320.280	0.504	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1	ZINC000831102355	605361191	/nfs/dbraw/zinc/36/11/91/605361191.db2.gz	HPMDBQKBGKBJBP-OLZOCXBDSA-N	-1	0	324.381	0.107	20	30		DCEDRM
N#Cc1ccc(N2CCC(OCCCNC(=O)[O-])CC2)nn1	ZINC000833973098	605416685	/nfs/dbraw/zinc/41/66/85/605416685.db2.gz	GUDLLDHIGIFCLU-UHFFFAOYSA-N	-1	0	305.338	0.991	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000833366048	605498192	/nfs/dbraw/zinc/49/81/92/605498192.db2.gz	CSJFLLWETFGJBH-UHFFFAOYSA-N	-1	0	324.720	0.743	20	30		DCEDRM
C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NC1CCN(CC#N)CC1	ZINC000825817992	605527460	/nfs/dbraw/zinc/52/74/60/605527460.db2.gz	VBJLBNSRNVWFJE-YPMHNXCESA-N	-1	0	323.397	0.804	20	30		DCEDRM
C#CCN1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1	ZINC000823450760	605626657	/nfs/dbraw/zinc/62/66/57/605626657.db2.gz	ISDTURUBGRKHAX-GFCCVEGCSA-N	-1	0	311.407	0.249	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(=O)OC)cn1	ZINC000833369033	605646017	/nfs/dbraw/zinc/64/60/17/605646017.db2.gz	ZZKSTTDHFWGYOF-GWCFXTLKSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(=O)OC)cn1	ZINC000833369036	605646030	/nfs/dbraw/zinc/64/60/30/605646030.db2.gz	ZZKSTTDHFWGYOF-ZWNOBZJWSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823455186	605825034	/nfs/dbraw/zinc/82/50/34/605825034.db2.gz	AODPUHRSIVDTQL-NXEZZACHSA-N	-1	0	314.363	0.153	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000833972814	605839984	/nfs/dbraw/zinc/83/99/84/605839984.db2.gz	HOKPRCCBBWZTED-OLZOCXBDSA-N	-1	0	314.301	0.306	20	30		DCEDRM
CCO[C@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)C(C)C	ZINC000821350634	606760039	/nfs/dbraw/zinc/76/00/39/606760039.db2.gz	AEIPVXPVDWHHLX-SECBINFHSA-N	-1	0	318.341	0.851	20	30		DCEDRM
Cc1nc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)sc1C	ZINC000822449995	607225234	/nfs/dbraw/zinc/22/52/34/607225234.db2.gz	YAXYTXNQWVGBIW-UHFFFAOYSA-N	-1	0	301.339	0.639	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)C1Cc2ccccc2C1	ZINC000893683988	661259150	/nfs/dbraw/zinc/25/91/50/661259150.db2.gz	VORBZOSEMVYVMJ-UHFFFAOYSA-N	-1	0	307.371	0.640	20	30		DCEDRM
C#CC[C@@H](COC)NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000859427196	658071335	/nfs/dbraw/zinc/07/13/35/658071335.db2.gz	WHIPSXODIUCROD-QMMMGPOBSA-N	-1	0	304.349	0.973	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCOC[C@H]1CCCO1	ZINC000776146969	659404293	/nfs/dbraw/zinc/40/42/93/659404293.db2.gz	SWKUGZZQHDDEMH-LLVKDONJSA-N	-1	0	318.395	0.568	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)C#CC2CC2)C1	ZINC001027405396	659419248	/nfs/dbraw/zinc/41/92/48/659419248.db2.gz	GUFOFRXIZRBMCO-LBPRGKRZSA-N	-1	0	303.366	0.347	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(CN2CCOCC2)o1	ZINC000892881867	659497051	/nfs/dbraw/zinc/49/70/51/659497051.db2.gz	AQIVYKXROWRDAU-UHFFFAOYSA-N	-1	0	314.363	0.357	20	30		DCEDRM
CN(CC(=O)C(C#N)=C([O-])c1nccn1C)[C@@H]1CCSC1	ZINC000127028720	662301493	/nfs/dbraw/zinc/30/14/93/662301493.db2.gz	GEQSWVWIPLXQTP-GHMZBOCLSA-N	-1	0	306.391	0.749	20	30		DCEDRM
C[C@@H]1[C@H](NCC#N)CCN1C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000987350691	662670865	/nfs/dbraw/zinc/67/08/65/662670865.db2.gz	FKKNSOTUYQHKSM-RKDXNWHRSA-N	-1	0	301.306	0.645	20	30		DCEDRM
C=C(C)COCC[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000866965834	662677043	/nfs/dbraw/zinc/67/70/43/662677043.db2.gz	YOLMMSDPYGYTQS-UHFFFAOYSA-N	-1	0	303.336	0.937	20	30		DCEDRM
C=C1CCC(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CC1	ZINC000899130275	663124920	/nfs/dbraw/zinc/12/49/20/663124920.db2.gz	UREUZHOCGGLCPF-UHFFFAOYSA-N	-1	0	314.345	0.950	20	30		DCEDRM
C[C@@]1(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C=CCC1	ZINC000899552433	663152410	/nfs/dbraw/zinc/15/24/10/663152410.db2.gz	YYGMLCIFPMHOOI-OAHLLOKOSA-N	-1	0	300.318	0.560	20	30		DCEDRM
COc1cncc(S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)c1	ZINC000899927116	663201451	/nfs/dbraw/zinc/20/14/51/663201451.db2.gz	RWPPJVKBLFGXNG-LLVKDONJSA-N	-1	0	324.358	0.579	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)c1	ZINC000901712093	663364957	/nfs/dbraw/zinc/36/49/57/663364957.db2.gz	VHUVGIWWTANXFI-CHWSQXEVSA-N	-1	0	314.345	0.713	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC	ZINC000802169032	663515375	/nfs/dbraw/zinc/51/53/75/663515375.db2.gz	ZVIJUUUNSXDYRG-WDEREUQCSA-N	-1	0	303.380	0.824	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cnc(Cl)n2C)C1	ZINC000906006959	663595269	/nfs/dbraw/zinc/59/52/69/663595269.db2.gz	NBBJIKUOSKBEMC-UHFFFAOYSA-N	-1	0	319.770	0.725	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1F	ZINC000907015358	663660691	/nfs/dbraw/zinc/66/06/91/663660691.db2.gz	PYCAGZJPKJNOKE-SECBINFHSA-N	-1	0	313.306	0.547	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000907016371	663660837	/nfs/dbraw/zinc/66/08/37/663660837.db2.gz	ZOOBVZKTUGNFAG-GFCCVEGCSA-N	-1	0	309.343	0.716	20	30		DCEDRM
C#CCSCCNC(=O)N(CCC)[C@H](COC)C(=O)[O-]	ZINC000909051716	663779837	/nfs/dbraw/zinc/77/98/37/663779837.db2.gz	FLUYFUPGNICLGR-LLVKDONJSA-N	-1	0	302.396	0.874	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC1CCC(OC)CC1)C(=O)[O-]	ZINC000909068243	663780343	/nfs/dbraw/zinc/78/03/43/663780343.db2.gz	VXXOVBJHISEULA-MCIGGMRASA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=CCCOCCNC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000909117838	663781599	/nfs/dbraw/zinc/78/15/99/663781599.db2.gz	SXPQBLSHDPMSKR-RYUDHWBXSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(=O)[O-]	ZINC000910053437	663837237	/nfs/dbraw/zinc/83/72/37/663837237.db2.gz	UILCCTUJYPMMIT-QWRGUYRKSA-N	-1	0	304.277	0.844	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)[O-]	ZINC000910052438	663837390	/nfs/dbraw/zinc/83/73/90/663837390.db2.gz	XUODYIXUYHYVSM-ZYHUDNBSSA-N	-1	0	318.304	0.771	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O)C(=O)[O-]	ZINC000910053760	663837870	/nfs/dbraw/zinc/83/78/70/663837870.db2.gz	CXKAUJASZZVMDZ-QWHCGFSZSA-N	-1	0	318.304	0.771	20	30		DCEDRM
C#CC[C@H](NC(=O)C1([C@H]2CCCCO2)CCOCC1)C(=O)[O-]	ZINC000910048940	663840402	/nfs/dbraw/zinc/84/04/02/663840402.db2.gz	PMENCVATJYKNNQ-QWHCGFSZSA-N	-1	0	309.362	0.945	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(C)n(C2CCOCC2)n1)C(=O)[O-]	ZINC000910046433	663840519	/nfs/dbraw/zinc/84/05/19/663840519.db2.gz	PARYLLIPIAEYPG-GFCCVEGCSA-N	-1	0	305.334	0.749	20	30		DCEDRM
C#Cc1cccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)OC)c1	ZINC000912524379	664183748	/nfs/dbraw/zinc/18/37/48/664183748.db2.gz	RQYLINYPFZBECH-UHFFFAOYSA-N	-1	0	305.315	0.978	20	30		DCEDRM
C=C(C)CN1CC(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC001030625042	664610367	/nfs/dbraw/zinc/61/03/67/664610367.db2.gz	ZDQZZRLNZXRYHA-UHFFFAOYSA-N	-1	0	306.410	0.751	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1csc(NC(C)=O)n1	ZINC000916890148	665099228	/nfs/dbraw/zinc/09/92/28/665099228.db2.gz	FNUSOUHVVSGVOS-QMMMGPOBSA-N	-1	0	310.335	0.187	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc2cc(C)nn2c1C	ZINC000916892101	665099512	/nfs/dbraw/zinc/09/95/12/665099512.db2.gz	IDGFRTNOZOZYNG-NSHDSACASA-N	-1	0	315.333	0.431	20	30		DCEDRM
C=C1CCC(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001031951132	665996636	/nfs/dbraw/zinc/99/66/36/665996636.db2.gz	ATDSEBBNSFAIFK-UHFFFAOYSA-N	-1	0	305.382	0.805	20	30		DCEDRM
N#CCCNS(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000447149004	666086550	/nfs/dbraw/zinc/08/65/50/666086550.db2.gz	QXAYTOLWMPOJPZ-UHFFFAOYSA-N	-1	0	318.738	0.995	20	30		DCEDRM
CS(=O)(=O)CCNN=Cc1cccc(OCCC(=O)[O-])c1	ZINC000733205699	666347147	/nfs/dbraw/zinc/34/71/47/666347147.db2.gz	IBCVFJUUWGWFEP-UHFFFAOYSA-N	-1	0	314.363	0.508	20	30		DCEDRM
CS(=O)(=O)CCNN=Cc1ccc(OCCC(=O)[O-])cc1	ZINC000733204523	666347151	/nfs/dbraw/zinc/34/71/51/666347151.db2.gz	RTKIJTHJXCMSRL-UHFFFAOYSA-N	-1	0	314.363	0.508	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2nnc(C)n2c1	ZINC000733678947	666797166	/nfs/dbraw/zinc/79/71/66/666797166.db2.gz	PCWXQKYXYMFLAA-LLVKDONJSA-N	-1	0	301.306	0.123	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnc(OC)nc1	ZINC000734079352	666843827	/nfs/dbraw/zinc/84/38/27/666843827.db2.gz	OMQMBIBHPFFHEU-LLVKDONJSA-N	-1	0	306.322	0.350	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC000734089361	666847712	/nfs/dbraw/zinc/84/77/12/666847712.db2.gz	UIDPEVPAEXOWCK-JTQLQIEISA-N	-1	0	307.368	0.367	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-]	ZINC000863416974	667141135	/nfs/dbraw/zinc/14/11/35/667141135.db2.gz	OVUISMYPOMQDQJ-MNOVXSKESA-N	-1	0	321.399	0.181	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000863799878	667184271	/nfs/dbraw/zinc/18/42/71/667184271.db2.gz	RZIMZDNJOQZOQI-VIFPVBQESA-N	-1	0	316.317	0.513	20	30		DCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccc(Br)o1	ZINC000704244151	667198568	/nfs/dbraw/zinc/19/85/68/667198568.db2.gz	QZDPJRYBFFZYIF-UHFFFAOYSA-N	-1	0	301.096	0.453	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(F)(F)F)ncn1)C(=O)[O-]	ZINC000864145066	667219407	/nfs/dbraw/zinc/21/94/07/667219407.db2.gz	FLZVUQRJEMFFCR-QMMMGPOBSA-N	-1	0	319.239	0.881	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)[O-]	ZINC000864182637	667222453	/nfs/dbraw/zinc/22/24/53/667222453.db2.gz	BZINDBWNQWOXPP-ZETCQYMHSA-N	-1	0	302.674	0.503	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccn(CCOC)n1)C(=O)[O-]	ZINC000864185846	667222982	/nfs/dbraw/zinc/22/29/82/667222982.db2.gz	DDGGALNXYFFORB-SNVBAGLBSA-N	-1	0	301.730	0.855	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)NC[C@@H](OC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000864529372	667258643	/nfs/dbraw/zinc/25/86/43/667258643.db2.gz	YMTQRNNARMWAOW-OUAUKWLOSA-N	-1	0	320.773	0.933	20	30		DCEDRM
CCO[C@@H](C(=O)N[C@H]1CCCN(O)C1=O)C1CCOCC1	ZINC000868562524	667581258	/nfs/dbraw/zinc/58/12/58/667581258.db2.gz	GUBZZMPGUCAKMK-NWDGAFQWSA-N	-1	0	300.355	0.315	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C	ZINC000869154036	667631949	/nfs/dbraw/zinc/63/19/49/667631949.db2.gz	KKQOCDWOULKQOY-GDLCADMTSA-N	-1	0	322.365	0.331	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn(CC2CC2)c1	ZINC000870134665	667712652	/nfs/dbraw/zinc/71/26/52/667712652.db2.gz	RWAFUITXEJNYQP-ZDUSSCGKSA-N	-1	0	304.350	0.768	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)CCC1	ZINC000838861023	667714809	/nfs/dbraw/zinc/71/48/09/667714809.db2.gz	VDIOXJJGJQXLSZ-AXFHLTTASA-N	-1	0	310.375	0.741	20	30		DCEDRM
COCCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(C#N)cc1	ZINC000870200645	667719235	/nfs/dbraw/zinc/71/92/35/667719235.db2.gz	YAHHFTNWIAPUQG-UHFFFAOYSA-N	-1	0	310.375	0.928	20	30		DCEDRM
CCOC1CC2(C[C@H]2C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000870269331	667726643	/nfs/dbraw/zinc/72/66/43/667726643.db2.gz	COGWNOHDUQTZMM-AKJDGMEZSA-N	-1	0	300.380	0.941	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C(=O)CC)C2)CC1	ZINC000870833335	667764961	/nfs/dbraw/zinc/76/49/61/667764961.db2.gz	AVKBAKIUHCTCBG-SNVBAGLBSA-N	-1	0	300.380	0.410	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](OC)C(=O)OC(C)(C)C)CC1	ZINC000870839796	667765341	/nfs/dbraw/zinc/76/53/41/667765341.db2.gz	WWVRCGXIRSCFKM-VIFPVBQESA-N	-1	0	319.379	0.508	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cn(CCOC)nc2C)CC1	ZINC000870835759	667765434	/nfs/dbraw/zinc/76/54/34/667765434.db2.gz	QMJJVYHIKZTOAM-UHFFFAOYSA-N	-1	0	313.379	0.616	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cncc(N3CCCC3)n2)CC1	ZINC000870839734	667765450	/nfs/dbraw/zinc/76/54/50/667765450.db2.gz	UWAKPAXGSAXHDL-UHFFFAOYSA-N	-1	0	322.390	0.855	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](OCC)[C@@H]2CCOC2)CC1	ZINC000870839751	667765461	/nfs/dbraw/zinc/76/54/61/667765461.db2.gz	VEPLAAGYAMAHIW-MNOVXSKESA-N	-1	0	303.380	0.593	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)CCOCC)cc1	ZINC000744123961	667820964	/nfs/dbraw/zinc/82/09/64/667820964.db2.gz	VPBJGBZMIHBMKK-UHFFFAOYSA-N	-1	0	311.359	0.795	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	ZINC000871777594	667849329	/nfs/dbraw/zinc/84/93/29/667849329.db2.gz	VONKFPKHVJXLAV-VHSKPIJISA-N	-1	0	312.372	0.961	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)[C@@H]1CCCO1	ZINC000871943988	667858689	/nfs/dbraw/zinc/85/86/89/667858689.db2.gz	XBDVCQMMGOIBJR-KGLIPLIRSA-N	-1	0	323.370	0.773	20	30		DCEDRM
N#CCn1cc([N-]S(=O)(=O)c2cccc3c2COC3=O)cn1	ZINC000747408419	667902390	/nfs/dbraw/zinc/90/23/90/667902390.db2.gz	ZBQRUOXWGJGCGU-UHFFFAOYSA-N	-1	0	318.314	0.878	20	30		DCEDRM
C#CC[C@H](COC)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000872509034	667905017	/nfs/dbraw/zinc/90/50/17/667905017.db2.gz	OYRBRVNCYUMBMY-MGNBDDOMSA-N	-1	0	310.441	0.755	20	30		DCEDRM
CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(C#N)cc1	ZINC000749150566	667946528	/nfs/dbraw/zinc/94/65/28/667946528.db2.gz	OJGXIJMFBQJCHR-UHFFFAOYSA-N	-1	0	308.301	0.606	20	30		DCEDRM
N#CCc1cccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1	ZINC000750731039	667986445	/nfs/dbraw/zinc/98/64/45/667986445.db2.gz	KSJXOFIKFABNKR-UHFFFAOYSA-N	-1	0	309.347	0.059	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc(NC(N)=O)c2)CC1	ZINC000753944641	668038615	/nfs/dbraw/zinc/03/86/15/668038615.db2.gz	CDZSGYXYIXMYMZ-UHFFFAOYSA-N	-1	0	322.346	0.541	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](CCC(=O)OC)O1	ZINC000873514332	668088287	/nfs/dbraw/zinc/08/82/87/668088287.db2.gz	RQQPONWOCKNOMG-VHSXEESVSA-N	-1	0	305.352	0.119	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C	ZINC000873526596	668089268	/nfs/dbraw/zinc/08/92/68/668089268.db2.gz	VJJGMDABKLXPGG-GHMZBOCLSA-N	-1	0	315.391	0.824	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1noc2ccccc21	ZINC000756519583	668091074	/nfs/dbraw/zinc/09/10/74/668091074.db2.gz	PSXFVBXSUUOBAV-UHFFFAOYSA-N	-1	0	322.342	0.814	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)N(C)CCOC)OCC	ZINC000756572478	668093492	/nfs/dbraw/zinc/09/34/92/668093492.db2.gz	KOLXTSXVHQTWHG-LLVKDONJSA-N	-1	0	308.400	0.297	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CCOc1ccccc1	ZINC000756566864	668093728	/nfs/dbraw/zinc/09/37/28/668093728.db2.gz	GYOKMTRUIIJVQG-UHFFFAOYSA-N	-1	0	311.359	0.551	20	30		DCEDRM
O=C1CN(N=Cc2cc(O)c(O)c(Br)c2)C(=O)N1	ZINC000757567015	668142610	/nfs/dbraw/zinc/14/26/10/668142610.db2.gz	DJHBHSUZFYLFCV-UHFFFAOYSA-N	-1	0	314.095	0.746	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]CC(=O)NC2CC2)c(F)c1	ZINC000757865555	668150368	/nfs/dbraw/zinc/15/03/68/668150368.db2.gz	BAVAEZYRQAZIEZ-UHFFFAOYSA-N	-1	0	315.301	0.393	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)CCCN2C(=O)CNC2=O)c1	ZINC000759717671	668233820	/nfs/dbraw/zinc/23/38/20/668233820.db2.gz	KNGHUWNWJYOQLJ-UHFFFAOYSA-N	-1	0	302.290	0.534	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)cc1	ZINC000761004441	668298431	/nfs/dbraw/zinc/29/84/31/668298431.db2.gz	NKNWQQOXQQWVHK-LBPRGKRZSA-N	-1	0	321.358	0.030	20	30		DCEDRM
N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000761115688	668306638	/nfs/dbraw/zinc/30/66/38/668306638.db2.gz	SITQVFGJOZBNDI-UHFFFAOYSA-N	-1	0	316.342	0.590	20	30		DCEDRM
O=C([O-])c1ccc2c(C=NN[C@@H]3CCS(=O)(=O)C3)[nH]nc2c1	ZINC000765544705	668499505	/nfs/dbraw/zinc/49/95/05/668499505.db2.gz	VFZOASJEBSAINM-SECBINFHSA-N	-1	0	322.346	0.372	20	30		DCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)NCCCOCC)nn1	ZINC000766612828	668539902	/nfs/dbraw/zinc/53/99/02/668539902.db2.gz	DRDFBXJHKYTSIX-NSHDSACASA-N	-1	0	307.354	0.553	20	30		DCEDRM
CCOCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000766981547	668556222	/nfs/dbraw/zinc/55/62/22/668556222.db2.gz	HHWNIOWMWQPFMW-UHFFFAOYSA-N	-1	0	312.347	0.798	20	30		DCEDRM
CNC(=O)Cn1nc([N-]c2ncc([N+](=O)[O-])cc2C#N)cc1C	ZINC000767315381	668567954	/nfs/dbraw/zinc/56/79/54/668567954.db2.gz	NTNPOORBAPBQJD-UHFFFAOYSA-N	-1	0	315.293	0.856	20	30		DCEDRM
O=C([O-])Cn1cc(C=NN2C(=S)N=NC2c2ccco2)nn1	ZINC000768475771	668611244	/nfs/dbraw/zinc/61/12/44/668611244.db2.gz	CGWHAHFTYFUSEW-UHFFFAOYSA-N	-1	0	319.306	0.385	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCNC(=O)c1ccco1	ZINC000770869218	668720673	/nfs/dbraw/zinc/72/06/73/668720673.db2.gz	UNJQJCLFTYVGSW-SNVBAGLBSA-N	-1	0	314.301	0.725	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC000770868417	668720910	/nfs/dbraw/zinc/72/09/10/668720910.db2.gz	JJZPZSUYDMTZAZ-QWRGUYRKSA-N	-1	0	316.361	0.959	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])n1C	ZINC000770877089	668721675	/nfs/dbraw/zinc/72/16/75/668721675.db2.gz	SHICNZYZDQUHSC-MRVPVSSYSA-N	-1	0	301.262	0.872	20	30		DCEDRM
CCOCCOCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771071257	668729419	/nfs/dbraw/zinc/72/94/19/668729419.db2.gz	KSCLXXHBRRHGHP-UHFFFAOYSA-N	-1	0	304.368	0.179	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc(C(N)=O)c2)CCC1	ZINC000771073224	668729976	/nfs/dbraw/zinc/72/99/76/668729976.db2.gz	GLFSHEZJTBSNJK-UHFFFAOYSA-N	-1	0	321.358	0.539	20	30		DCEDRM
N#CCCN1CCN(CC(=O)[N-]OCc2ccccc2)CC1	ZINC000772252000	668766723	/nfs/dbraw/zinc/76/67/23/668766723.db2.gz	PVIKMPXVEWLBMO-UHFFFAOYSA-N	-1	0	302.378	0.766	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nc(-c2cnn(C)c2)oc1C	ZINC000772714911	668781824	/nfs/dbraw/zinc/78/18/24/668781824.db2.gz	WTJQFMQYGPFRQD-UHFFFAOYSA-N	-1	0	310.335	0.629	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000772716550	668782301	/nfs/dbraw/zinc/78/23/01/668782301.db2.gz	DGUSPCLKVQISKP-UHFFFAOYSA-N	-1	0	324.318	0.577	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)[N-]OC2CCOCC2)cc1	ZINC000773645785	668810186	/nfs/dbraw/zinc/81/01/86/668810186.db2.gz	PULRNGWMOZOHPC-UHFFFAOYSA-N	-1	0	318.329	0.864	20	30		DCEDRM
CN(C)C(=O)c1cccc(C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000776115681	668871002	/nfs/dbraw/zinc/87/10/02/668871002.db2.gz	QHODKULQPVGGTI-UHFFFAOYSA-N	-1	0	323.374	0.752	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000776118582	668871289	/nfs/dbraw/zinc/87/12/89/668871289.db2.gz	QCPDDPHTUAHRHM-UHFFFAOYSA-N	-1	0	311.319	0.887	20	30		DCEDRM
CC(C)c1noc(CCC(=O)[N-]S(=O)(=O)CCCC#N)n1	ZINC000776123066	668871361	/nfs/dbraw/zinc/87/13/61/668871361.db2.gz	WTOZHUAGYSFWLR-UHFFFAOYSA-N	-1	0	314.367	0.875	20	30		DCEDRM
CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1	ZINC000776146406	668871770	/nfs/dbraw/zinc/87/17/70/668871770.db2.gz	NIERMUIREXHNAW-LLVKDONJSA-N	-1	0	315.395	0.241	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCSc2n[nH]c(=O)[n-]2)cc1	ZINC000776432854	668876247	/nfs/dbraw/zinc/87/62/47/668876247.db2.gz	WSRWZHLXTKOKDF-UHFFFAOYSA-N	-1	0	310.360	0.948	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-]	ZINC000776596565	668879055	/nfs/dbraw/zinc/87/90/55/668879055.db2.gz	GKWMCEQSFYGOGZ-SECBINFHSA-N	-1	0	317.319	0.764	20	30		DCEDRM
N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000780606803	668999689	/nfs/dbraw/zinc/99/96/89/668999689.db2.gz	YIQDNVGVOQVDEZ-NSHDSACASA-N	-1	0	324.358	0.828	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@]12CCOC2	ZINC000781593500	669051935	/nfs/dbraw/zinc/05/19/35/669051935.db2.gz	CHMGQCINXOYHNV-QMTHXVAHSA-N	-1	0	324.333	0.929	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnc3n[nH]nc3c2)CCC1	ZINC000783136000	669145083	/nfs/dbraw/zinc/14/50/83/669145083.db2.gz	LCRWVTJJTFQXSS-UHFFFAOYSA-N	-1	0	320.334	0.106	20	30		DCEDRM
CC(C)[C@@](C)(O)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000784785261	669221439	/nfs/dbraw/zinc/22/14/39/669221439.db2.gz	PZYANVYHQJVHGL-CQSZACIVSA-N	-1	0	304.306	0.757	20	30		DCEDRM
CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000784857704	669224390	/nfs/dbraw/zinc/22/43/90/669224390.db2.gz	BKHDNAFEHAMKAG-LBPRGKRZSA-N	-1	0	321.358	0.125	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccnc2c1ncn2C	ZINC000805851633	669395458	/nfs/dbraw/zinc/39/54/58/669395458.db2.gz	MNFBVGGOOKNUHU-LLVKDONJSA-N	-1	0	315.333	0.443	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC000788348296	669433465	/nfs/dbraw/zinc/43/34/65/669433465.db2.gz	GOOIRDSAQSCTFY-LLVKDONJSA-N	-1	0	319.317	0.590	20	30		DCEDRM
N#Cc1cnc2c(c1)CC/C(=C/c1cn(CC(=O)[O-])nn1)C2=O	ZINC000788356856	669434035	/nfs/dbraw/zinc/43/40/35/669434035.db2.gz	XIZKYCVFVRHRMV-WCIBSUBMSA-N	-1	0	309.285	0.842	20	30		DCEDRM
C#C[C@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1	ZINC000882234354	669482567	/nfs/dbraw/zinc/48/25/67/669482567.db2.gz	ZFJFACHPSAFMSS-MGNBDDOMSA-N	-1	0	308.425	0.245	20	30		DCEDRM
CCOC1CC(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)C1	ZINC000805919492	669544977	/nfs/dbraw/zinc/54/49/77/669544977.db2.gz	LMISDSHZWFALMF-UHFFFAOYSA-N	-1	0	300.380	0.941	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2)c1	ZINC000791109926	669594535	/nfs/dbraw/zinc/59/45/35/669594535.db2.gz	UWFLLJDMFAHEQV-UHFFFAOYSA-N	-1	0	303.343	0.955	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1	ZINC000805947850	669594913	/nfs/dbraw/zinc/59/49/13/669594913.db2.gz	DNSQMYWJJGSJMF-UHFFFAOYSA-N	-1	0	315.376	0.710	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCn1c(C)c(C)sc1=O	ZINC000810779233	669674262	/nfs/dbraw/zinc/67/42/62/669674262.db2.gz	DYSOCIPMFOFTGB-UHFFFAOYSA-N	-1	0	316.404	0.386	20	30		DCEDRM
CC[C@H](NN=C1CCCc2[nH]c(=O)c(C(N)=O)cc21)C(=O)[O-]	ZINC000793070386	669700439	/nfs/dbraw/zinc/70/04/39/669700439.db2.gz	AHZITWHPVZZCKA-VIFPVBQESA-N	-1	0	306.322	0.379	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2ccc3c(c2)OCO3)CC1	ZINC000793193913	669706694	/nfs/dbraw/zinc/70/66/94/669706694.db2.gz	FAFIPHMLNMPNPZ-UHFFFAOYSA-N	-1	0	322.342	0.708	20	30		DCEDRM
COC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCOCC1	ZINC000793191184	669706714	/nfs/dbraw/zinc/70/67/14/669706714.db2.gz	QEMZJSRTPQLBBI-UHFFFAOYSA-N	-1	0	304.368	0.178	20	30		DCEDRM
CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793201128	669707701	/nfs/dbraw/zinc/70/77/01/669707701.db2.gz	INOJXCKKEXWHPE-NSHDSACASA-N	-1	0	315.395	0.287	20	30		DCEDRM
Cn1cc2c(n1)CCC[C@@H]2C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793212973	669708141	/nfs/dbraw/zinc/70/81/41/669708141.db2.gz	XHWPJTJRPVYREA-JTQLQIEISA-N	-1	0	322.390	0.590	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(N)=O)C2)CC1	ZINC000793212288	669708290	/nfs/dbraw/zinc/70/82/90/669708290.db2.gz	MMNITLYRBNRDGB-UWVGGRQHSA-N	-1	0	313.379	0.028	20	30		DCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)o1	ZINC000048556935	669940228	/nfs/dbraw/zinc/94/02/28/669940228.db2.gz	TVNIHDXXOFMRDS-UHFFFAOYSA-N	-1	0	311.319	0.719	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCc1nnc2n1CCCCC2	ZINC000797705526	669973454	/nfs/dbraw/zinc/97/34/54/669973454.db2.gz	OJBCFXZSMOBLJW-UHFFFAOYSA-N	-1	0	321.381	0.829	20	30		DCEDRM
C=C(Cl)CN1CC(N(CC)C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000950774114	670126323	/nfs/dbraw/zinc/12/63/23/670126323.db2.gz	WYLCTPJMWLQZCY-UHFFFAOYSA-N	-1	0	313.745	0.182	20	30		DCEDRM
C=C(C)CN1CC(N(CC)C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000951120825	670200371	/nfs/dbraw/zinc/20/03/71/670200371.db2.gz	YEMQTFTVKBQJEG-UHFFFAOYSA-N	-1	0	306.366	0.208	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)COC(F)F	ZINC000802781619	670212123	/nfs/dbraw/zinc/21/21/23/670212123.db2.gz	BTBAFFNOPQIMMY-UHFFFAOYSA-N	-1	0	308.237	0.741	20	30		DCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1=O	ZINC000079731105	670221402	/nfs/dbraw/zinc/22/14/02/670221402.db2.gz	XVFJOPNVFHQMJQ-UHFFFAOYSA-N	-1	0	317.326	0.950	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cccn2)cc1	ZINC000193416033	670281802	/nfs/dbraw/zinc/28/18/02/670281802.db2.gz	OTCCKHVHJVHQQW-CQSZACIVSA-N	-1	0	312.329	0.957	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)c1[O-]	ZINC000949343929	670318425	/nfs/dbraw/zinc/31/84/25/670318425.db2.gz	XSYKCIZGTYFIFH-UHFFFAOYSA-N	-1	0	319.365	0.254	20	30		DCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2cn3c(n2)CCCC3)nn1	ZINC000806564161	670321958	/nfs/dbraw/zinc/32/19/58/670321958.db2.gz	KUWMSQZZMUPEEL-PLNGDYQASA-N	-1	0	301.306	0.792	20	30		DCEDRM
CCc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)[nH]n1	ZINC000194005643	670387104	/nfs/dbraw/zinc/38/71/04/670387104.db2.gz	OEKZAPRVDZJZFZ-UHFFFAOYSA-N	-1	0	304.331	0.962	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc(C(C)(C)C)nc1	ZINC000808980213	670433663	/nfs/dbraw/zinc/43/36/63/670433663.db2.gz	WNBDEVIBCUDBJS-NSHDSACASA-N	-1	0	304.350	0.859	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC	ZINC000810681521	670493239	/nfs/dbraw/zinc/49/32/39/670493239.db2.gz	JYRYWJOHTBCCAY-NXEZZACHSA-N	-1	0	303.380	0.680	20	30		DCEDRM
Cn1cnc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)n1	ZINC000810707983	670494710	/nfs/dbraw/zinc/49/47/10/670494710.db2.gz	ILEAEJQRRMXWAR-SECBINFHSA-N	-1	0	319.271	0.732	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1c(OC)cccc1OC	ZINC000810774655	670496859	/nfs/dbraw/zinc/49/68/59/670496859.db2.gz	LRQRPMGMSCFUMD-UHFFFAOYSA-N	-1	0	311.359	0.716	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OCC)cc1	ZINC000810773574	670496959	/nfs/dbraw/zinc/49/69/59/670496959.db2.gz	BONUIDIPLFKBBF-UHFFFAOYSA-N	-1	0	309.343	0.946	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)N(C)C)cc1	ZINC000810780116	670497590	/nfs/dbraw/zinc/49/75/90/670497590.db2.gz	OGDFTQFSGAIMDU-UHFFFAOYSA-N	-1	0	308.359	0.471	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1nc(-c2cnn(C)c2)oc1C	ZINC000810784710	670497957	/nfs/dbraw/zinc/49/79/57/670497957.db2.gz	MSEKCRATSLHUBK-UHFFFAOYSA-N	-1	0	322.346	0.466	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21	ZINC000810786320	670498108	/nfs/dbraw/zinc/49/81/08/670498108.db2.gz	COZDXDNQGSNKQL-LLVKDONJSA-N	-1	0	324.333	0.721	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC	ZINC000811137158	670508619	/nfs/dbraw/zinc/50/86/19/670508619.db2.gz	URFMLJGUGYVLFG-UHFFFAOYSA-N	-1	0	303.380	0.825	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc(N(C)C)c(Cl)c1	ZINC000847699247	670592375	/nfs/dbraw/zinc/59/23/75/670592375.db2.gz	ORYLERRAKMTORP-UHFFFAOYSA-N	-1	0	315.782	0.884	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)n(CC)c2c1	ZINC000847700030	670592527	/nfs/dbraw/zinc/59/25/27/670592527.db2.gz	ZJEIZKACJWRZKE-UHFFFAOYSA-N	-1	0	321.358	0.845	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O	ZINC000812783143	670595901	/nfs/dbraw/zinc/59/59/01/670595901.db2.gz	AOOZRMKMHJDFSJ-QHBPRCKVSA-N	-1	0	307.350	0.414	20	30		DCEDRM
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[N-]OC1CCC1	ZINC000812791860	670597080	/nfs/dbraw/zinc/59/70/80/670597080.db2.gz	ASWLQEBZKNZHCN-JTQLQIEISA-N	-1	0	323.374	0.825	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1	ZINC000847997884	670618566	/nfs/dbraw/zinc/61/85/66/670618566.db2.gz	DWPHJHXVWKFFCZ-UHFFFAOYSA-N	-1	0	301.324	0.181	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O	ZINC000854767495	670627434	/nfs/dbraw/zinc/62/74/34/670627434.db2.gz	XJCLAHURWVUARN-JTQLQIEISA-N	-1	0	317.370	0.429	20	30		DCEDRM
C#CCN(CC(=O)[N-]O[C@H](CO)C(C)C)C(=O)OC(C)(C)C	ZINC000854827427	670639196	/nfs/dbraw/zinc/63/91/96/670639196.db2.gz	LKKSSAXRWZNBPH-GFCCVEGCSA-N	-1	0	314.382	0.921	20	30		DCEDRM
CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)o1	ZINC000813979260	670666678	/nfs/dbraw/zinc/66/66/78/670666678.db2.gz	PSSJQQWWZFVNRF-UHFFFAOYSA-N	-1	0	319.298	0.868	20	30		DCEDRM
C[C@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981084	670667272	/nfs/dbraw/zinc/66/72/72/670667272.db2.gz	SPBQEAHVGAJGPV-CABZTGNLSA-N	-1	0	309.347	0.431	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)COc2ccsc2)c1	ZINC000813983012	670667582	/nfs/dbraw/zinc/66/75/82/670667582.db2.gz	DIADTXJARNRRGB-UHFFFAOYSA-N	-1	0	323.355	0.899	20	30		DCEDRM
Cn1ncc(C(=O)[O-])c1C=NNC(=S)NCC(F)(F)F	ZINC000848404592	670678441	/nfs/dbraw/zinc/67/84/41/670678441.db2.gz	WCEZLHBZYQXNAI-UHFFFAOYSA-N	-1	0	309.273	0.479	20	30		DCEDRM
C#CCO[N-]C(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1	ZINC000855607157	670735038	/nfs/dbraw/zinc/73/50/38/670735038.db2.gz	XCYPURPSLPANBS-UHFFFAOYSA-N	-1	0	318.377	0.761	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCOCc1ccccc1	ZINC000849218360	670765825	/nfs/dbraw/zinc/76/58/25/670765825.db2.gz	ANEQRXKNNYAQBG-UHFFFAOYSA-N	-1	0	311.359	0.553	20	30		DCEDRM
C=CCCO[N-]C(=O)Cn1c2ccccc2c(=O)n(CC)c1=O	ZINC000856029329	670776843	/nfs/dbraw/zinc/77/68/43/670776843.db2.gz	IXOHDMKCMMYAKR-UHFFFAOYSA-N	-1	0	317.345	0.807	20	30		DCEDRM
CO[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)C1	ZINC000816014636	670779485	/nfs/dbraw/zinc/77/94/85/670779485.db2.gz	IICWFFIKCNNDFH-GHMZBOCLSA-N	-1	0	300.380	0.941	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c1	ZINC000816036118	670782123	/nfs/dbraw/zinc/78/21/23/670782123.db2.gz	DUBKJIVOVKRBTK-UHFFFAOYSA-N	-1	0	319.346	0.466	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000816082665	670784608	/nfs/dbraw/zinc/78/46/08/670784608.db2.gz	LWAJKKLTLTVKNL-NSHDSACASA-N	-1	0	323.374	0.748	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccccc1[O-])C(=O)OC	ZINC000849391482	670787034	/nfs/dbraw/zinc/78/70/34/670787034.db2.gz	QQMUQGDUQCRWJT-SNVBAGLBSA-N	-1	0	315.347	0.415	20	30		DCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000816690267	670839536	/nfs/dbraw/zinc/83/95/36/670839536.db2.gz	MRMRHCURJXFOSN-SECBINFHSA-N	-1	0	320.280	0.437	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)[N-]OCC2CCC2)nn1CCC#N	ZINC000850719174	670935758	/nfs/dbraw/zinc/93/57/58/670935758.db2.gz	IRWLKQYORLDQRU-UHFFFAOYSA-N	-1	0	305.338	0.892	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC000850732553	670936920	/nfs/dbraw/zinc/93/69/20/670936920.db2.gz	AZAZVNGHLLMIMW-ITGUQSILSA-N	-1	0	306.343	0.397	20	30		DCEDRM
COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)cc1	ZINC000850794550	670940762	/nfs/dbraw/zinc/94/07/62/670940762.db2.gz	NQEQYPYJXZLNTE-JTQLQIEISA-N	-1	0	324.358	0.969	20	30		DCEDRM
COC[C@H](OC)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000850805383	670942182	/nfs/dbraw/zinc/94/21/82/670942182.db2.gz	DUKSCLBSTYDDDV-LBPRGKRZSA-N	-1	0	312.347	0.166	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1	ZINC000850810539	670942765	/nfs/dbraw/zinc/94/27/65/670942765.db2.gz	LNJOUEGGHZDHST-LLVKDONJSA-N	-1	0	307.375	0.955	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000817883910	670950909	/nfs/dbraw/zinc/95/09/09/670950909.db2.gz	ZARFMVYCPGWNGZ-NSHDSACASA-N	-1	0	316.313	0.570	20	30		DCEDRM
CO[C@](C)(C(=O)[N-]S(=O)(=O)CCC#N)C(=O)OC(C)(C)C	ZINC000851015662	670961240	/nfs/dbraw/zinc/96/12/40/670961240.db2.gz	GRJRHKBMHMYKLZ-GFCCVEGCSA-N	-1	0	320.367	0.093	20	30		DCEDRM
COC(=O)CCS(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1	ZINC000851021055	670962070	/nfs/dbraw/zinc/96/20/70/670962070.db2.gz	DCJROCNZBVHMFY-UHFFFAOYSA-N	-1	0	316.379	0.860	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCOCCCOC)CC1	ZINC000851032390	670962323	/nfs/dbraw/zinc/96/23/23/670962323.db2.gz	QPMQKOKDCVPNRR-UHFFFAOYSA-N	-1	0	305.396	0.984	20	30		DCEDRM
CCCCCCNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000858109465	670971516	/nfs/dbraw/zinc/97/15/16/670971516.db2.gz	WLBQWVOETBKCPY-UHFFFAOYSA-N	-1	0	319.365	0.967	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000851191822	670972747	/nfs/dbraw/zinc/97/27/47/670972747.db2.gz	OXRLCBZCESZATP-UHFFFAOYSA-N	-1	0	324.333	0.683	20	30		DCEDRM
COCC(COC)S(=O)(=O)[N-]C(=O)CCCCCC#N	ZINC000851503639	670994307	/nfs/dbraw/zinc/99/43/07/670994307.db2.gz	IGSOJJJCTHJYBO-UHFFFAOYSA-N	-1	0	306.384	0.568	20	30		DCEDRM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(C)(C)C	ZINC000859158179	671078197	/nfs/dbraw/zinc/07/81/97/671078197.db2.gz	AJJSYWSWUKAPMF-SECBINFHSA-N	-1	0	300.336	0.787	20	30		DCEDRM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000859424286	671112920	/nfs/dbraw/zinc/11/29/20/671112920.db2.gz	FAROHEFZFQJXJD-VIFPVBQESA-N	-1	0	316.339	0.035	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C)c(C(=O)OC)o1	ZINC000860462313	671210890	/nfs/dbraw/zinc/21/08/90/671210890.db2.gz	SKYBKGXBTRJFDS-SNVBAGLBSA-N	-1	0	322.317	0.850	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2ccnn2C)CCOCC1	ZINC000820632632	671215536	/nfs/dbraw/zinc/21/55/36/671215536.db2.gz	OMBMPFZSVHJQJM-UHFFFAOYSA-N	-1	0	313.379	0.598	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)COCC(F)F	ZINC000860549627	671218119	/nfs/dbraw/zinc/21/81/19/671218119.db2.gz	RQGGVSOACZWAAE-UHFFFAOYSA-N	-1	0	318.301	0.953	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)oc1C	ZINC000860721642	671233450	/nfs/dbraw/zinc/23/34/50/671233450.db2.gz	HXCDKMPTUWYILZ-UHFFFAOYSA-N	-1	0	319.360	0.074	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C/c2ccc(F)c(F)c2)c(=O)n(C)c1=O	ZINC000821012597	671245922	/nfs/dbraw/zinc/24/59/22/671245922.db2.gz	KXKXUCWMRLOWAY-GQCTYLIASA-N	-1	0	322.267	0.964	20	30		DCEDRM
C=C(C)CO[N-]C(=O)COc1nsnc1N1CCOCC1	ZINC000824233300	671424094	/nfs/dbraw/zinc/42/40/94/671424094.db2.gz	RSUXWCMRKJQNPW-UHFFFAOYSA-N	-1	0	314.367	0.377	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)Nc1cccc(F)c1	ZINC000826383066	671486813	/nfs/dbraw/zinc/48/68/13/671486813.db2.gz	IUNWKJPGTPIMBB-UHFFFAOYSA-N	-1	0	312.268	0.713	20	30		DCEDRM
COc1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)ccc1C#N	ZINC000826833615	671502208	/nfs/dbraw/zinc/50/22/08/671502208.db2.gz	GBOXRQVCLLMLBS-LBPRGKRZSA-N	-1	0	314.305	0.294	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CC[C@@H]1CCCO1	ZINC000831091971	671652791	/nfs/dbraw/zinc/65/27/91/671652791.db2.gz	OJBCXJATZGVVGZ-MNOVXSKESA-N	-1	0	317.367	0.073	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])n1	ZINC000831162068	671656566	/nfs/dbraw/zinc/65/65/66/671656566.db2.gz	VZICTDVIXVYJIP-UWVGGRQHSA-N	-1	0	306.326	0.092	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)c1	ZINC000831271296	671662322	/nfs/dbraw/zinc/66/23/22/671662322.db2.gz	DSIUAODCDJWIFT-SNVBAGLBSA-N	-1	0	324.362	0.118	20	30		DCEDRM
C#CCCN1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC1	ZINC000833362534	671747095	/nfs/dbraw/zinc/74/70/95/671747095.db2.gz	XBAIMDUQHWVBKD-UHFFFAOYSA-N	-1	0	315.373	0.964	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OCC)nc1	ZINC000835286435	671792354	/nfs/dbraw/zinc/79/23/54/671792354.db2.gz	FIFPBHYXQQHYEB-JTQLQIEISA-N	-1	0	312.347	0.324	20	30		DCEDRM
C=CCO[N-]C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O	ZINC000837044045	671843187	/nfs/dbraw/zinc/84/31/87/671843187.db2.gz	VPYYOMOSELTKAE-OAHLLOKOSA-N	-1	0	303.318	0.687	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCCCCCCC(=O)[O-]	ZINC000841775206	671953389	/nfs/dbraw/zinc/95/33/89/671953389.db2.gz	ZFQXKUSCXOTRSE-LLVKDONJSA-N	-1	0	305.400	0.947	20	30		DCEDRM
CCCN1C[C@@H](C(=O)C(C#N)=C([O-])c2nccn2C)CC1=O	ZINC000842323626	672005757	/nfs/dbraw/zinc/00/57/57/672005757.db2.gz	NMKLRCUFSLHENV-QWRGUYRKSA-N	-1	0	302.334	0.570	20	30		DCEDRM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)n1ncc(C#N)c1N	ZINC000104866420	672027273	/nfs/dbraw/zinc/02/72/73/672027273.db2.gz	VDVRQQYYDLIIPJ-UHFFFAOYSA-N	-1	0	311.305	0.173	20	30		DCEDRM
CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)C(=O)OC(C)(C)C	ZINC000842794572	672037916	/nfs/dbraw/zinc/03/79/16/672037916.db2.gz	VVFNMRAGQQUBFR-JTQLQIEISA-N	-1	0	318.395	0.960	20	30		DCEDRM
C#CCNC(=O)c1ccc(NCC2(C(=O)[O-])CCOCC2)nc1	ZINC000843037581	672055088	/nfs/dbraw/zinc/05/50/88/672055088.db2.gz	ZFSVUHOQLFYTKF-UHFFFAOYSA-N	-1	0	317.345	0.738	20	30		DCEDRM
CS(=O)(=O)N1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000844269076	672169598	/nfs/dbraw/zinc/16/95/98/672169598.db2.gz	AHCVUMJJCZANGW-JLATVTFTSA-N	-1	0	313.335	0.753	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(CCC(=O)[O-])C1CC1	ZINC000844788014	672202907	/nfs/dbraw/zinc/20/29/07/672202907.db2.gz	AYGNXLACDXLMHE-SNVBAGLBSA-N	-1	0	303.384	0.652	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000844793388	672203112	/nfs/dbraw/zinc/20/31/12/672203112.db2.gz	NBOXQDJIGOEOET-ZETCQYMHSA-N	-1	0	302.333	0.094	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N[C@@H](Cc2ccncn2)C(=O)[O-])CC1	ZINC000844804414	672204028	/nfs/dbraw/zinc/20/40/28/672204028.db2.gz	NGULPBUFLQWKKI-NSHDSACASA-N	-1	0	324.362	0.086	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn(-c2ccccc2)cn1	ZINC000845440351	672248488	/nfs/dbraw/zinc/24/84/88/672248488.db2.gz	FCOFJPLKXUOCFI-CYBMUJFWSA-N	-1	0	312.329	0.957	20	30		DCEDRM
CCn1ccc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)n1	ZINC000845507526	672254071	/nfs/dbraw/zinc/25/40/71/672254071.db2.gz	AQCPJVBAAYRFQR-UHFFFAOYSA-N	-1	0	324.406	0.975	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc([O-])cc(F)c1)C(=O)OC	ZINC000867389017	672266279	/nfs/dbraw/zinc/26/62/79/672266279.db2.gz	XJTWAHJQZHKMOB-LLVKDONJSA-N	-1	0	301.295	0.375	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(CC(=O)OC)c1	ZINC000846146161	672297342	/nfs/dbraw/zinc/29/73/42/672297342.db2.gz	GAFLXLPZIAKADP-UHFFFAOYSA-N	-1	0	306.318	0.965	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnc2c(c1)c(C)nn2C	ZINC000846150952	672297574	/nfs/dbraw/zinc/29/75/74/672297574.db2.gz	QGYZRTWHCKTCBY-UHFFFAOYSA-N	-1	0	303.322	0.839	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1	ZINC000846157306	672298112	/nfs/dbraw/zinc/29/81/12/672298112.db2.gz	UFMGVZVYOYZVNK-TVQRCGJNSA-N	-1	0	319.317	0.472	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2	ZINC000846156123	672298308	/nfs/dbraw/zinc/29/83/08/672298308.db2.gz	XZPZSMCDARSVKD-VIFPVBQESA-N	-1	0	303.318	0.533	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)CSCc1ccc(C#N)cc1	ZINC000846498187	672319679	/nfs/dbraw/zinc/31/96/79/672319679.db2.gz	UWQQPNFPWOSCMA-UHFFFAOYSA-N	-1	0	307.375	0.975	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)N1CCN(c2ccccc2)CC1	ZINC000846552638	672326837	/nfs/dbraw/zinc/32/68/37/672326837.db2.gz	MESGXYZWZRZXJG-CYBMUJFWSA-N	-1	0	303.362	0.958	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CNS(=O)(=O)c1c(C)noc1C	ZINC000846662807	672334498	/nfs/dbraw/zinc/33/44/98/672334498.db2.gz	IPPGQEGJOIIJKA-UHFFFAOYSA-N	-1	0	303.340	0.194	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C	ZINC000842883674	685366943	/nfs/dbraw/zinc/36/69/43/685366943.db2.gz	FLMRFNFMGYSUQI-UHFFFAOYSA-N	-1	0	313.331	0.983	20	30		DCEDRM
C#CCN(CC(=O)[N-]OCCCOC)C(=O)OC(C)(C)C	ZINC000854449546	685371463	/nfs/dbraw/zinc/37/14/63/685371463.db2.gz	LNTYKKNPHGEEGW-UHFFFAOYSA-N	-1	0	300.355	0.941	20	30		DCEDRM
CC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000049460676	685059018	/nfs/dbraw/zinc/05/90/18/685059018.db2.gz	ZXIBAKMFRGETEX-VIFPVBQESA-N	-1	0	303.340	0.194	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCO[C@@H](C#N)C2)cc1C(=O)[O-]	ZINC000093932739	685110346	/nfs/dbraw/zinc/11/03/46/685110346.db2.gz	UOGROIIDGMVPMI-JTQLQIEISA-N	-1	0	310.331	0.606	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)C#CC1CC1	ZINC000960613566	688423369	/nfs/dbraw/zinc/42/33/69/688423369.db2.gz	NRRMVYGGKWDARC-GFCCVEGCSA-N	-1	0	303.366	0.347	20	30		DCEDRM
N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[n-]c2ccccc2c1=O	ZINC000961928374	688771067	/nfs/dbraw/zinc/77/10/67/688771067.db2.gz	CSXPWJUHZYQPFZ-PJXYFTJBSA-N	-1	0	309.329	0.519	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)c1[O-]	ZINC001008048838	690792328	/nfs/dbraw/zinc/79/23/28/690792328.db2.gz	PUWUJIQIMMBZMN-WCBMZHEXSA-N	-1	0	319.365	0.550	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]32)c1[O-]	ZINC001008967079	690964304	/nfs/dbraw/zinc/96/43/04/690964304.db2.gz	XCZYITHTYWJXMB-DMLMCSCLSA-N	-1	0	317.349	0.018	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001746133684	1158288258	/nfs/dbraw/zinc/28/82/58/1158288258.db2.gz	CYTLTLGVEHGKKE-WDEREUQCSA-N	-1	0	322.365	0.087	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1c[nH]nc1Cl)C(=O)OC	ZINC001670894111	1158620805	/nfs/dbraw/zinc/62/08/05/1158620805.db2.gz	QPRRVERUGFCRBT-SSDOTTSWSA-N	-1	0	307.759	0.849	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001608225030	1159804789	/nfs/dbraw/zinc/80/47/89/1159804789.db2.gz	NCWCRYKDXFDPMM-IMTBSYHQSA-N	-1	0	302.333	0.140	20	30		DCEDRM
COCCCCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001544540476	1159818087	/nfs/dbraw/zinc/81/80/87/1159818087.db2.gz	FDIFOBGLJMVKCB-UHFFFAOYSA-N	-1	0	308.338	0.144	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)CCCC1	ZINC001610619265	1159838654	/nfs/dbraw/zinc/83/86/54/1159838654.db2.gz	HVIQTGYGWQWLKA-UHFFFAOYSA-N	-1	0	316.379	0.312	20	30		DCEDRM
CC(C)[C@@H](C#N)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001567876566	1160513970	/nfs/dbraw/zinc/51/39/70/1160513970.db2.gz	WARVQRFYTLCAOK-LLVKDONJSA-N	-1	0	301.306	0.544	20	30		DCEDRM
CC#CCCCC(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])CC1(C)C	ZINC001573385327	1163420568	/nfs/dbraw/zinc/42/05/68/1163420568.db2.gz	YNTNEVUGZWNUDV-GFCCVEGCSA-N	-1	0	323.393	0.801	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1CN(C(=O)CNC(=O)[O-])CC1(C)C	ZINC001573385329	1163420777	/nfs/dbraw/zinc/42/07/77/1163420777.db2.gz	YNTNEVUGZWNUDV-LBPRGKRZSA-N	-1	0	323.393	0.801	20	30		DCEDRM
COCCn1cc(C#N)c(NC(=O)[C@@H]2C[C@@H]2C#N)c1C(=O)[O-]	ZINC001573986531	1163618190	/nfs/dbraw/zinc/61/81/90/1163618190.db2.gz	WOCGMWAZPJJJBA-PSASIEDQSA-N	-1	0	302.290	0.803	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO	ZINC001574128482	1163644493	/nfs/dbraw/zinc/64/44/93/1163644493.db2.gz	WBTCCDSPHRKUSQ-WCQYABFASA-N	-1	0	303.318	0.567	20	30		DCEDRM
Cc1cc(S(=O)(=O)NC2(CC(=O)[O-])COC2)ccc1C#N	ZINC001574143804	1163647136	/nfs/dbraw/zinc/64/71/36/1163647136.db2.gz	FMULGIJCJUQTLH-UHFFFAOYSA-N	-1	0	310.331	0.389	20	30		DCEDRM
N#CC1(CS(=O)(=O)NC2(CC(=O)[O-])COC2)CCCCC1	ZINC001574241529	1163672075	/nfs/dbraw/zinc/67/20/75/1163672075.db2.gz	NGXSPNNZQZZLBG-UHFFFAOYSA-N	-1	0	316.379	0.624	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)nc1	ZINC001574245614	1163672996	/nfs/dbraw/zinc/67/29/96/1163672996.db2.gz	SXFTZIIZWKNZBK-STQMWFEESA-N	-1	0	312.285	0.265	20	30		DCEDRM
C=CCCC(=O)NCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001574952352	1163815410	/nfs/dbraw/zinc/81/54/10/1163815410.db2.gz	MSVQBMRTWDFZAW-UHFFFAOYSA-N	-1	0	323.315	0.642	20	30		DCEDRM
CCC1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCOCC1	ZINC001577106856	1164604856	/nfs/dbraw/zinc/60/48/56/1164604856.db2.gz	BKTVZSSRUDIMQR-UHFFFAOYSA-N	-1	0	316.325	0.607	20	30		DCEDRM
CCNC(=O)[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)C(C)C	ZINC001578238167	1164957474	/nfs/dbraw/zinc/95/74/74/1164957474.db2.gz	GYLCLIBBXHLNLX-JTQLQIEISA-N	-1	0	315.341	0.101	20	30		DCEDRM
CCOC(=O)[C@H]1CCCN1c1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001578250735	1164963046	/nfs/dbraw/zinc/96/30/46/1164963046.db2.gz	FUKTYJXHYMXPBJ-SECBINFHSA-N	-1	0	314.309	0.060	20	30		DCEDRM
C=CCCCC(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001578862556	1165143696	/nfs/dbraw/zinc/14/36/96/1165143696.db2.gz	UOJXZPNUGAUTCC-DTORHVGOSA-N	-1	0	321.337	0.016	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001579885379	1165423216	/nfs/dbraw/zinc/42/32/16/1165423216.db2.gz	YSXJRZVEBAFWJO-IUCAKERBSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C[S@](=O)[C@@H]1CC[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001580172142	1165527433	/nfs/dbraw/zinc/52/74/33/1165527433.db2.gz	MFZGNGWVCKLYFL-ZEVLFVSWSA-N	-1	0	318.366	0.240	20	30		DCEDRM
Cc1csc(CCNc2cnc(C#N)c(-c3nnn[n-]3)n2)n1	ZINC001581386183	1165819458	/nfs/dbraw/zinc/81/94/58/1165819458.db2.gz	WUXRHSLAUMVTGA-UHFFFAOYSA-N	-1	0	313.350	0.948	20	30		DCEDRM
Cc1n[nH]c(=O)c(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)c1C	ZINC001581612040	1165852960	/nfs/dbraw/zinc/85/29/60/1165852960.db2.gz	IZBMFARFFJWPFG-UHFFFAOYSA-N	-1	0	324.308	0.253	20	30		DCEDRM
Cn1ncc(C2CC2)c1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001581830065	1165883958	/nfs/dbraw/zinc/88/39/58/1165883958.db2.gz	BXJHYFYGJVSMQK-UHFFFAOYSA-N	-1	0	324.308	0.325	20	30		DCEDRM
N#CCNCC[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001581857947	1165890071	/nfs/dbraw/zinc/89/00/71/1165890071.db2.gz	KZRGOSXMCOCPPY-JTQLQIEISA-N	-1	0	314.353	0.160	20	30		DCEDRM
N#Cc1ccc(CC(=O)COc2cnc(-c3nnn[n-]3)nc2)cc1	ZINC001581869130	1165894882	/nfs/dbraw/zinc/89/48/82/1165894882.db2.gz	JPUGKLKOBZCGIJ-UHFFFAOYSA-N	-1	0	321.300	0.719	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCCN(CCF)C2)nc1-c1nnn[n-]1	ZINC001581883265	1165902725	/nfs/dbraw/zinc/90/27/25/1165902725.db2.gz	UIKSHEQIZHDWHO-SECBINFHSA-N	-1	0	317.332	0.374	20	30		DCEDRM
N#Cc1ncc(N2CCO[C@H](c3ccco3)C2)nc1-c1nnn[n-]1	ZINC001581882667	1165902898	/nfs/dbraw/zinc/90/28/98/1165902898.db2.gz	FKCGXACCKASKCS-NSHDSACASA-N	-1	0	324.304	0.699	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001582832188	1166105132	/nfs/dbraw/zinc/10/51/32/1166105132.db2.gz	JJAHMVZTSCDGRE-BJOHPYRUSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C=CCOCC(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001583148667	1166213800	/nfs/dbraw/zinc/21/38/00/1166213800.db2.gz	UDIBTIDKNMOLMX-SNAWJCMRSA-N	-1	0	308.338	0.029	20	30		DCEDRM
C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001588351741	1166542499	/nfs/dbraw/zinc/54/24/99/1166542499.db2.gz	HWCKAIIBRCCMDN-PHIMTYICSA-N	-1	0	311.349	0.117	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)[O-]	ZINC001588414363	1166551777	/nfs/dbraw/zinc/55/17/77/1166551777.db2.gz	LPSUIEFAGBWTNT-MRVPVSSYSA-N	-1	0	306.230	0.530	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc2c(cc1Cl)NC(=O)CO2)C(=O)[O-]	ZINC001588413785	1166552045	/nfs/dbraw/zinc/55/20/45/1166552045.db2.gz	CAEHNLAQWOCNCR-VIFPVBQESA-N	-1	0	322.704	0.877	20	30		DCEDRM
C=CC(C)(C)CCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588487030	1166557600	/nfs/dbraw/zinc/55/76/00/1166557600.db2.gz	OGYJAVRNVNHMJY-VIFPVBQESA-N	-1	0	304.358	0.738	20	30		DCEDRM
C=CCCn1cc(CN=Nc2oc(C)nc2-c2nnn[n-]2)nn1	ZINC001588620776	1166571828	/nfs/dbraw/zinc/57/18/28/1166571828.db2.gz	GRZMNOQAKVABOZ-UHFFFAOYSA-N	-1	0	314.313	0.777	20	30		DCEDRM
C=CCN(CC=C)C(=O)COc1ccc(F)nc1-c1nnn[n-]1	ZINC001588632026	1166574598	/nfs/dbraw/zinc/57/45/98/1166574598.db2.gz	QIPXZGJFIPUPSH-UHFFFAOYSA-N	-1	0	318.312	0.980	20	30		DCEDRM
C=CCn1cc(C(=O)Nc2sccc2-c2nn[nH]n2)nn1	ZINC001588713113	1166580775	/nfs/dbraw/zinc/58/07/75/1166580775.db2.gz	FTGIBFKSUISFML-UHFFFAOYSA-N	-1	0	302.323	0.958	20	30		DCEDRM
C=CCOCCOCCOC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC001588689525	1166580906	/nfs/dbraw/zinc/58/09/06/1166580906.db2.gz	LYUKMOJTMSRWQW-UHFFFAOYSA-N	-1	0	319.321	0.638	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)Nc1ccc(F)cc1-c1nn[nH]n1	ZINC001588737674	1166581093	/nfs/dbraw/zinc/58/10/93/1166581093.db2.gz	HLHDMCARSLZYAC-JTQLQIEISA-N	-1	0	318.312	0.902	20	30		DCEDRM
C[C@H](C(=O)N1CCC[C@](C)(C#N)C1)n1cnc(-c2nnn[n-]2)n1	ZINC001588952760	1166621036	/nfs/dbraw/zinc/62/10/36/1166621036.db2.gz	YBGCXHXFOOSUBB-NOZJJQNGSA-N	-1	0	315.341	0.171	20	30		DCEDRM
C[C@@H](C(=O)N1CCC(CC#N)CC1)n1cnc(-c2nnn[n-]2)n1	ZINC001588948854	1166622690	/nfs/dbraw/zinc/62/26/90/1166622690.db2.gz	NODDNUXBEBXSMW-VIFPVBQESA-N	-1	0	315.341	0.171	20	30		DCEDRM
C[C@@H](COCC1CC1)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589884424	1166709042	/nfs/dbraw/zinc/70/90/42/1166709042.db2.gz	DKGREOSMTQCRQB-QMMMGPOBSA-N	-1	0	300.326	0.755	20	30		DCEDRM
CCC(C)(C)OCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001590379177	1166895410	/nfs/dbraw/zinc/89/54/10/1166895410.db2.gz	QGVLKMUZQLUNCJ-UHFFFAOYSA-N	-1	0	304.314	0.605	20	30		DCEDRM
CCc1nn(CCO[C@@H](C)C#N)c(=O)c(-c2nnn[n-]2)c1CC	ZINC001590929687	1167053629	/nfs/dbraw/zinc/05/36/29/1167053629.db2.gz	LTZJCXFZBLUBJU-VIFPVBQESA-N	-1	0	317.353	0.477	20	30		DCEDRM
CN([C@@H]1CCC[C@@H]1C#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001591037564	1167089860	/nfs/dbraw/zinc/08/98/60/1167089860.db2.gz	XVUKRYIKZRWJRT-RKDXNWHRSA-N	-1	0	322.350	0.772	20	30		DCEDRM
COC(=O)[C@H]1CCCC[C@@H]1Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC001591254481	1167180829	/nfs/dbraw/zinc/18/08/29/1167180829.db2.gz	IWNIJXUDYBGNKW-ZJUUUORDSA-N	-1	0	315.337	0.914	20	30		DCEDRM
COC[C@@](C)(C#N)NC(=O)c1ncc(-c2nn[nH]n2)cc1C	ZINC001591367745	1167239723	/nfs/dbraw/zinc/23/97/23/1167239723.db2.gz	MNIBRHOSBGZAGJ-CYBMUJFWSA-N	-1	0	301.310	0.229	20	30		DCEDRM
COc1ccc2c(c1)C[C@H](Cn1cnc(-c3nnn[n-]3)c1C#N)O2	ZINC001591626353	1167342289	/nfs/dbraw/zinc/34/22/89/1167342289.db2.gz	LZWLPXYXLGEFGE-LLVKDONJSA-N	-1	0	323.316	0.947	20	30		DCEDRM
Cc1ccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)nc1Cl	ZINC001592171747	1167467747	/nfs/dbraw/zinc/46/77/47/1167467747.db2.gz	NFGHWMPRYCMZIZ-UHFFFAOYSA-N	-1	0	315.728	0.922	20	30		DCEDRM
Cc1cccnc1CCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001592263156	1167480681	/nfs/dbraw/zinc/48/06/81/1167480681.db2.gz	SLDXZYUPFHLOPA-UHFFFAOYSA-N	-1	0	307.321	0.886	20	30		DCEDRM
Cc1nn(Cc2cc(C#N)ccn2)c(=O)c(-c2nnn[n-]2)c1C	ZINC001592438157	1167522493	/nfs/dbraw/zinc/52/24/93/1167522493.db2.gz	VCCUNHHEDBRUKH-UHFFFAOYSA-N	-1	0	308.305	0.355	20	30		DCEDRM
N#Cc1ncc(NCCOC(F)(F)F)nc1-c1nnn[n-]1	ZINC001592710208	1167608939	/nfs/dbraw/zinc/60/89/39/1167608939.db2.gz	KOQYTWBAILKNFZ-UHFFFAOYSA-N	-1	0	300.204	0.477	20	30		DCEDRM
COCc1cc(C(=O)[O-])cc(S(=O)(=O)O[C@H]2CNOC2)c1	ZINC001599281150	1168070387	/nfs/dbraw/zinc/07/03/87/1168070387.db2.gz	IZKIJTNHSOGZGI-JTQLQIEISA-N	-1	0	317.319	0.140	20	30		DCEDRM
Cc1cc(F)c(S(=O)(=O)N(CC#N)CC#N)cc1C(=O)[O-]	ZINC001600227425	1168141033	/nfs/dbraw/zinc/14/10/33/1168141033.db2.gz	ZCSBMQUEICJLHZ-UHFFFAOYSA-N	-1	0	311.294	0.870	20	30		DCEDRM
Cc1ccc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cc1C#N	ZINC001600331889	1168167973	/nfs/dbraw/zinc/16/79/73/1168167973.db2.gz	RRENAEPWCQRMFE-LBPRGKRZSA-N	-1	0	301.302	0.234	20	30		DCEDRM
Cc1ccc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])cc1C#N	ZINC001600414355	1168180477	/nfs/dbraw/zinc/18/04/77/1168180477.db2.gz	MVULORZRZQTNAU-CQSZACIVSA-N	-1	0	322.386	0.940	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])ccc1C#N	ZINC001600710833	1168259506	/nfs/dbraw/zinc/25/95/06/1168259506.db2.gz	SHDWYWXSJNIZRA-NSHDSACASA-N	-1	0	316.317	0.666	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1NC(=O)N1CCN(CCC#N)CC1	ZINC001601004272	1168557734	/nfs/dbraw/zinc/55/77/34/1168557734.db2.gz	NXDYIEKMDALPML-UHFFFAOYSA-N	-1	0	306.326	0.181	20	30		DCEDRM
N#CC1(C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)CCOCC1	ZINC001601050445	1168577898	/nfs/dbraw/zinc/57/78/98/1168577898.db2.gz	PCUVZJYMODHFHH-BWBHSNQOSA-N	-1	0	322.361	0.835	20	30		DCEDRM
N#C[C@H]1CCCN(S(=O)(=O)c2csnc2C(=O)[O-])C1	ZINC001601060720	1168579239	/nfs/dbraw/zinc/57/92/39/1168579239.db2.gz	IFKMOZYOPLTHGB-SSDOTTSWSA-N	-1	0	301.349	0.766	20	30		DCEDRM
N#CC[C@H](NC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)C(F)(F)F	ZINC001601062079	1168579337	/nfs/dbraw/zinc/57/93/37/1168579337.db2.gz	MERFVQIPAAYRRJ-FXQIFTODSA-N	-1	0	309.244	0.308	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1	ZINC001601062431	1168579589	/nfs/dbraw/zinc/57/95/89/1168579589.db2.gz	FDFKUULHFNRULK-UHFFFAOYSA-N	-1	0	311.275	0.437	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@@H](n1ccnc1)C(F)(F)F	ZINC001601069354	1168580472	/nfs/dbraw/zinc/58/04/72/1168580472.db2.gz	JOIKXWKKSVMGPC-MRVPVSSYSA-N	-1	0	304.228	0.813	20	30		DCEDRM
N#CCCn1ccc(N[C@H]2CCCN(CCC(=O)[O-])C2=O)n1	ZINC001601069298	1168580717	/nfs/dbraw/zinc/58/07/17/1168580717.db2.gz	BDEIXYJRONTTKP-NSHDSACASA-N	-1	0	305.338	0.674	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1C#N	ZINC001601071752	1168581168	/nfs/dbraw/zinc/58/11/68/1168581168.db2.gz	BQWYQOZPJNQTOQ-UHFFFAOYSA-N	-1	0	313.722	0.811	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@H]1CCCN(CC(F)F)C1	ZINC001601071250	1168581229	/nfs/dbraw/zinc/58/12/29/1168581229.db2.gz	XMCCIYCFVKWSCZ-JTQLQIEISA-N	-1	0	303.309	0.790	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1c[nH]nc1C(F)(F)F	ZINC001601072171	1168581282	/nfs/dbraw/zinc/58/12/82/1168581282.db2.gz	LBVMOGCTGBNYBL-UHFFFAOYSA-N	-1	0	312.229	0.027	20	30		DCEDRM
N#CCN(CCC(=O)[O-])Cc1cn(Cc2cccnc2)nn1	ZINC001601072439	1168581559	/nfs/dbraw/zinc/58/15/59/1168581559.db2.gz	JBKFLERGASLPCL-UHFFFAOYSA-N	-1	0	300.322	0.522	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccc(N2CCOCC2)nc1	ZINC001601072477	1168581812	/nfs/dbraw/zinc/58/18/12/1168581812.db2.gz	UTGCRMZKBLNPSH-UHFFFAOYSA-N	-1	0	318.333	0.359	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cccc2nc(CO)[nH]c21	ZINC001601072339	1168581832	/nfs/dbraw/zinc/58/18/32/1168581832.db2.gz	SIPAXYAJJRDFDO-UHFFFAOYSA-N	-1	0	302.290	0.496	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001601077690	1168582265	/nfs/dbraw/zinc/58/22/65/1168582265.db2.gz	AQHWLAXITXQJOC-UONOGXRCSA-N	-1	0	302.330	0.589	20	30		DCEDRM
N#CCSCC(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001601076365	1168582318	/nfs/dbraw/zinc/58/23/18/1168582318.db2.gz	PVCBLPDUKVMPGN-SNVBAGLBSA-N	-1	0	321.362	0.126	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(Cl)c1	ZINC001601077561	1168582376	/nfs/dbraw/zinc/58/23/76/1168582376.db2.gz	HFLUJKVZHWVQFV-VIFPVBQESA-N	-1	0	318.738	0.130	20	30		DCEDRM
N#Cc1cc(CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)ccn1	ZINC001601087307	1168583562	/nfs/dbraw/zinc/58/35/62/1168583562.db2.gz	BGVFMGJHHWBBCT-UHFFFAOYSA-N	-1	0	318.314	0.525	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])nc1	ZINC001601093640	1168583880	/nfs/dbraw/zinc/58/38/80/1168583880.db2.gz	CUAOFUCXSMTKML-GXFFZTMASA-N	-1	0	303.318	0.953	20	30		DCEDRM
N#Cc1ccc(CC(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)cn1	ZINC001601098185	1168584628	/nfs/dbraw/zinc/58/46/28/1168584628.db2.gz	JVIZOQJTCAGWEG-YPMHNXCESA-N	-1	0	303.318	0.349	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)CN2CCOCC2=O)C(=O)[O-])cc1	ZINC001601096368	1168584935	/nfs/dbraw/zinc/58/49/35/1168584935.db2.gz	UCNUXRIGGPFJGC-AWEZNQCLSA-N	-1	0	318.285	0.086	20	30		DCEDRM
N#Cc1ccc(CNC(=O)Cn2cc(C(=O)[O-])ccc2=O)cc1	ZINC001601100775	1168585483	/nfs/dbraw/zinc/58/54/83/1168585483.db2.gz	YMCKLQKQLRRBNY-UHFFFAOYSA-N	-1	0	311.297	0.735	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1	ZINC001601108238	1168586052	/nfs/dbraw/zinc/58/60/52/1168586052.db2.gz	IFNGRQQLUSXQRE-OAHLLOKOSA-N	-1	0	317.345	0.654	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])nc1	ZINC001601108874	1168586218	/nfs/dbraw/zinc/58/62/18/1168586218.db2.gz	XQOKBZIRVPDUMT-QMMMGPOBSA-N	-1	0	316.239	0.887	20	30		DCEDRM
N#Cc1ccc(OCC(=O)NCc2nc(C(=O)[O-])co2)cc1	ZINC001601110167	1168586343	/nfs/dbraw/zinc/58/63/43/1168586343.db2.gz	KTMOUVYOLFWENA-UHFFFAOYSA-N	-1	0	301.258	0.940	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)cc1	ZINC001601111510	1168586690	/nfs/dbraw/zinc/58/66/90/1168586690.db2.gz	GTLLVVOYRBKZRQ-UWVGGRQHSA-N	-1	0	316.285	0.802	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CN2C[C@@H](F)C[C@H]2C(=O)[O-])c1	ZINC001601122582	1168588074	/nfs/dbraw/zinc/58/80/74/1168588074.db2.gz	OLRTULKJRDUPBH-STQMWFEESA-N	-1	0	305.309	0.671	20	30		DCEDRM
N#Cc1cccc(CC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c1	ZINC001601122959	1168588363	/nfs/dbraw/zinc/58/83/63/1168588363.db2.gz	UOKKWANDMIIVPZ-MRXNPFEDSA-N	-1	0	313.313	0.933	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)n1	ZINC001601122777	1168588544	/nfs/dbraw/zinc/58/85/44/1168588544.db2.gz	TWOLJUAMLDSBGY-UHFFFAOYSA-N	-1	0	316.317	0.605	20	30		DCEDRM
N#Cc1cnc(NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c(F)c1	ZINC001601129954	1168591198	/nfs/dbraw/zinc/59/11/98/1168591198.db2.gz	BPRRAWYDTABAAK-NXEZZACHSA-N	-1	0	318.308	0.874	20	30		DCEDRM
N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1	ZINC001601130101	1168591843	/nfs/dbraw/zinc/59/18/43/1168591843.db2.gz	JWFYXFRYUKXPFK-YJFSRANCSA-N	-1	0	301.306	0.128	20	30		DCEDRM
N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1	ZINC001601130305	1168591895	/nfs/dbraw/zinc/59/18/95/1168591895.db2.gz	CROCZCVDOQYZBD-OYBPUVFXSA-N	-1	0	301.306	0.128	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC001601133824	1168593492	/nfs/dbraw/zinc/59/34/92/1168593492.db2.gz	WEKARSMAUJHSID-HUUCEWRRSA-N	-1	0	316.361	0.687	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)n1	ZINC001601136112	1168594843	/nfs/dbraw/zinc/59/48/43/1168594843.db2.gz	GTXHEGZJTPYAOQ-YGRLFVJLSA-N	-1	0	318.337	0.189	20	30		DCEDRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(CC#Cc2ccccc2)C1	ZINC001601784986	1168894914	/nfs/dbraw/zinc/89/49/14/1168894914.db2.gz	WQEKWZPKJUNCOQ-JKSUJKDBSA-N	-1	0	312.369	0.807	20	30		DCEDRM
O=C([O-])CCN1CC[C@H](ON=Cc2ccc([N+](=O)[O-])o2)C1=O	ZINC001602012448	1168963641	/nfs/dbraw/zinc/96/36/41/1168963641.db2.gz	IDWIWAGLFTWAAP-VIFPVBQESA-N	-1	0	311.250	0.614	20	30		DCEDRM
O=C([O-])c1ccc(C=NN[C@H]2CCS(=O)(=O)C2)c(F)c1	ZINC001602331036	1169060872	/nfs/dbraw/zinc/06/08/72/1169060872.db2.gz	NUUWAZPRGOQKKJ-JTQLQIEISA-N	-1	0	300.311	0.635	20	30		DCEDRM
C#C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)C1CCOCC1	ZINC001602673731	1169155338	/nfs/dbraw/zinc/15/53/38/1169155338.db2.gz	JNVVAXMSBQDULW-CYBMUJFWSA-N	-1	0	302.330	0.867	20	30		DCEDRM
C#C[C@@H](NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1CCOCC1	ZINC001602674613	1169157339	/nfs/dbraw/zinc/15/73/39/1169157339.db2.gz	TXMMDNQCEXMPPC-IATRGZMQSA-N	-1	0	306.362	0.967	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](CC#CC)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001602684626	1169158139	/nfs/dbraw/zinc/15/81/39/1169158139.db2.gz	BZHIOCBSSJJXRH-NEPJUHHUSA-N	-1	0	322.361	0.886	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC001602682695	1169158758	/nfs/dbraw/zinc/15/87/58/1169158758.db2.gz	CRASCSQVXSCWST-SSDOTTSWSA-N	-1	0	319.285	0.326	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(Br)o1)C(=O)[O-]	ZINC001602698437	1169164321	/nfs/dbraw/zinc/16/43/21/1169164321.db2.gz	HHCUOBDJCRFPKV-LURJTMIESA-N	-1	0	322.136	0.797	20	30		DCEDRM
C#CCCCCC(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001602703134	1169165921	/nfs/dbraw/zinc/16/59/21/1169165921.db2.gz	SFSFHUNGOMUFPA-HAQNSBGRSA-N	-1	0	316.361	0.849	20	30		DCEDRM
C#CCCCS(=O)(=O)N1[C@@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001602710453	1169166389	/nfs/dbraw/zinc/16/63/89/1169166389.db2.gz	FYLUVAMMOAHWDU-FVCCEPFGSA-N	-1	0	315.391	0.825	20	30		DCEDRM
C#Cc1cccc(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c1	ZINC001602742175	1169175830	/nfs/dbraw/zinc/17/58/30/1169175830.db2.gz	GYRQHYYJYZOPQJ-ZIAGYGMSSA-N	-1	0	302.330	0.957	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)nc1	ZINC001602740103	1169176228	/nfs/dbraw/zinc/17/62/28/1169176228.db2.gz	WHOUVYZYFSMOAL-LLVKDONJSA-N	-1	0	311.301	0.440	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC001602734724	1169176820	/nfs/dbraw/zinc/17/68/20/1169176820.db2.gz	YITPCBMFDHLECX-UHFFFAOYSA-N	-1	0	300.274	0.627	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@](C)(CC)C1=O)C(=O)[O-]	ZINC001602749176	1169177672	/nfs/dbraw/zinc/17/76/72/1169177672.db2.gz	QAJDEQVLUHOONE-LKFCYVNXSA-N	-1	0	311.338	0.243	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(=O)[O-]	ZINC001602749841	1169179463	/nfs/dbraw/zinc/17/94/63/1169179463.db2.gz	ZVRGSNSAHWEZAO-TVSZNTQPSA-N	-1	0	309.318	0.243	20	30		DCEDRM
C=C(C)CN(C)Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2	ZINC001602758721	1169179573	/nfs/dbraw/zinc/17/95/73/1169179573.db2.gz	PIWYIWJOSBQHTC-UHFFFAOYSA-N	-1	0	300.366	0.983	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1occc1C(=O)[O-])C(=O)OC	ZINC001602757221	1169180102	/nfs/dbraw/zinc/18/01/02/1169180102.db2.gz	IHLHDGOHSSHZKH-SECBINFHSA-N	-1	0	317.319	0.764	20	30		DCEDRM
C=C(C)CN(CC)C(=O)Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O	ZINC001602762208	1169181048	/nfs/dbraw/zinc/18/10/48/1169181048.db2.gz	XUDIMUPWWXADOS-UHFFFAOYSA-N	-1	0	323.305	0.879	20	30		DCEDRM
C=C(C)CN1CC(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)C1	ZINC001602762045	1169181867	/nfs/dbraw/zinc/18/18/67/1169181867.db2.gz	OMKTYILFJKUGSI-UONOGXRCSA-N	-1	0	307.394	0.112	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1	ZINC001602781633	1169183415	/nfs/dbraw/zinc/18/34/15/1169183415.db2.gz	AKWBRSOPWJLQAS-UHFFFAOYSA-N	-1	0	320.349	0.552	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)CCCNc1ncc(C(=O)[O-])cn1	ZINC001602809758	1169186855	/nfs/dbraw/zinc/18/68/55/1169186855.db2.gz	LGKNKFPRWMBPBB-HNNXBMFYSA-N	-1	0	322.365	0.762	20	30		DCEDRM
C=C[C@H](OC(=O)Cc1csc(N2CCCC2=O)n1)C(=O)[O-]	ZINC001602826742	1169190940	/nfs/dbraw/zinc/19/09/40/1169190940.db2.gz	GHXGPVQRZJGPGV-VIFPVBQESA-N	-1	0	310.331	0.995	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)OCC	ZINC001602841555	1169191114	/nfs/dbraw/zinc/19/11/14/1169191114.db2.gz	AVLSWFOOOLHVBV-SECBINFHSA-N	-1	0	316.335	0.499	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	ZINC001602855570	1169191968	/nfs/dbraw/zinc/19/19/68/1169191968.db2.gz	UQTDMEQBYDZODG-YMEQNVIZSA-N	-1	0	306.362	0.781	20	30		DCEDRM
C=CC[C@H](Nc1ccn(CC(=O)N2CCOCC2)n1)C(=O)[O-]	ZINC001602844958	1169192436	/nfs/dbraw/zinc/19/24/36/1169192436.db2.gz	IFZNKRSSQGKXTJ-NSHDSACASA-N	-1	0	308.338	0.183	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCOC)C1)C(=O)[O-]	ZINC001602862626	1169194979	/nfs/dbraw/zinc/19/49/79/1169194979.db2.gz	GVLOWKFYNAVXQX-VXGBXAGGSA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1	ZINC001602866722	1169196218	/nfs/dbraw/zinc/19/62/18/1169196218.db2.gz	JZWQIXZYZXPEON-LLVKDONJSA-N	-1	0	315.333	0.989	20	30		DCEDRM
C=CCCCNC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C	ZINC001602874915	1169198301	/nfs/dbraw/zinc/19/83/01/1169198301.db2.gz	JOBIBLSSPKWQSI-GFCCVEGCSA-N	-1	0	311.382	0.076	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001602906914	1169201704	/nfs/dbraw/zinc/20/17/04/1169201704.db2.gz	RUVBYQUYKDETJH-SNVBAGLBSA-N	-1	0	306.322	0.072	20	30		DCEDRM
C=CCN1CC[C@@H](OC(=O)CCCn2ccc(C(=O)[O-])n2)C1=O	ZINC001602901424	1169201717	/nfs/dbraw/zinc/20/17/17/1169201717.db2.gz	JVEJEMXCUHNDHW-GFCCVEGCSA-N	-1	0	321.333	0.692	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(-n2cccn2)ccn1)C(=O)[O-]	ZINC001602909047	1169202821	/nfs/dbraw/zinc/20/28/21/1169202821.db2.gz	LJIPJXIMUMVDOU-ZDUSSCGKSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ncc2c(F)cccn21)C(=O)[O-]	ZINC001602913031	1169202897	/nfs/dbraw/zinc/20/28/97/1169202897.db2.gz	GUIZGAZDLJGNRB-SNVBAGLBSA-N	-1	0	307.281	0.859	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c[nH]nc1-c1ccncc1)C(=O)[O-]	ZINC001602909130	1169202949	/nfs/dbraw/zinc/20/29/49/1169202949.db2.gz	OKVYQOGKFVEQIG-LBPRGKRZSA-N	-1	0	316.317	0.857	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(/C=C/C(=O)OC)o1)C(=O)[O-]	ZINC001602913047	1169203416	/nfs/dbraw/zinc/20/34/16/1169203416.db2.gz	HGUUKCAMSZKVPW-ZRQQLDRUSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(-n2cccn2)ccn1)C(=O)[O-]	ZINC001602909046	1169203507	/nfs/dbraw/zinc/20/35/07/1169203507.db2.gz	LJIPJXIMUMVDOU-CYBMUJFWSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O	ZINC001602942273	1169215126	/nfs/dbraw/zinc/21/51/26/1169215126.db2.gz	YMHSAHGLFHKZFK-BJDJZHNGSA-N	-1	0	308.334	0.705	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC001602945941	1169218285	/nfs/dbraw/zinc/21/82/85/1169218285.db2.gz	OFBWPOHWUOHZSO-LLVKDONJSA-N	-1	0	311.359	0.746	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001602946111	1169218620	/nfs/dbraw/zinc/21/86/20/1169218620.db2.gz	ONGLPRVFILXOMR-LLVKDONJSA-N	-1	0	306.274	0.797	20	30		DCEDRM
CC#CCN1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)C1	ZINC001602949608	1169218798	/nfs/dbraw/zinc/21/87/98/1169218798.db2.gz	PMVSWUHDODTBNV-LSDHHAIUSA-N	-1	0	320.389	0.422	20	30		DCEDRM
CC(=O)c1c[nH]c(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC001602961758	1169219753	/nfs/dbraw/zinc/21/97/53/1169219753.db2.gz	FUFJFCBHLDYLLF-UHFFFAOYSA-N	-1	0	311.265	0.244	20	30		DCEDRM
CC(C)CCN1C(=O)C[C@H](N2CCC(C#N)(C(=O)[O-])CC2)C1=O	ZINC001603794726	1169395277	/nfs/dbraw/zinc/39/52/77/1169395277.db2.gz	WRRYEXSXAYFXKD-LBPRGKRZSA-N	-1	0	321.377	0.850	20	30		DCEDRM
CC(C)N1CC[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1=O	ZINC001603888240	1169422329	/nfs/dbraw/zinc/42/23/29/1169422329.db2.gz	PGNKSNVZBAICKW-LLVKDONJSA-N	-1	0	322.365	0.396	20	30		DCEDRM
C[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@@H](C2CC2)O1	ZINC001603939884	1169445370	/nfs/dbraw/zinc/44/53/70/1169445370.db2.gz	BWBMNXJTUKVIES-KCJUWKMLSA-N	-1	0	312.337	0.532	20	30		DCEDRM
CC(C)c1nc(-c2nnn[n-]2)c(N=NC2C(=O)OC[C@H]2C)o1	ZINC001603944890	1169446681	/nfs/dbraw/zinc/44/66/81/1169446681.db2.gz	GAGAWKIKSYXCJY-ZCFIWIBFSA-N	-1	0	305.298	0.939	20	30		DCEDRM
C[C@@H](CC#N)NC(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl	ZINC001604060377	1169482651	/nfs/dbraw/zinc/48/26/51/1169482651.db2.gz	LNDDGQIMUIQJSH-LURJTMIESA-N	-1	0	310.697	0.790	20	30		DCEDRM
C[C@H](C[N@H+](Cc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1)C(=O)[O-]	ZINC001604162028	1169510310	/nfs/dbraw/zinc/51/03/10/1169510310.db2.gz	XCHQZBVJPYOCCP-SECBINFHSA-N	-1	0	315.333	0.992	20	30		DCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CCO1	ZINC001604484487	1169601254	/nfs/dbraw/zinc/60/12/54/1169601254.db2.gz	IPZRBJWLVQCICF-GFCCVEGCSA-N	-1	0	311.319	0.083	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CCO1	ZINC001604484309	1169602201	/nfs/dbraw/zinc/60/22/01/1169602201.db2.gz	FLJWWBZGMPWVSK-GVXVVHGQSA-N	-1	0	316.379	0.574	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC001604626416	1169635796	/nfs/dbraw/zinc/63/57/96/1169635796.db2.gz	MCVHVVLNGOVDPE-UFBFGSQYSA-N	-1	0	319.292	0.957	20	30		DCEDRM
C[C@@H]1CC[C@H](C)CN1C(=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001604696699	1169658377	/nfs/dbraw/zinc/65/83/77/1169658377.db2.gz	CGLLUBDUYANJFB-NWDGAFQWSA-N	-1	0	321.377	0.850	20	30		DCEDRM
CN(Cc1ccccc1)C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC001604817124	1169693992	/nfs/dbraw/zinc/69/39/92/1169693992.db2.gz	BTLKUYVYKJQTRI-UHFFFAOYSA-N	-1	0	322.332	0.593	20	30		DCEDRM
C[C@@H]1OC(=O)N[C@@H]1C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001604830510	1169699530	/nfs/dbraw/zinc/69/95/30/1169699530.db2.gz	BKWVMZKBXHZTMU-CPCISQLKSA-N	-1	0	304.258	0.797	20	30		DCEDRM
CC[C@H](CNC(=O)CSCC#N)Nc1ncc(C(=O)[O-])cn1	ZINC001605032303	1169786846	/nfs/dbraw/zinc/78/68/46/1169786846.db2.gz	FNOGZGJDRCIDNK-SNVBAGLBSA-N	-1	0	323.378	0.738	20	30		DCEDRM
CC[C@@](COC)(NCC(=O)NC1(C#N)CCCCC1)C(=O)[O-]	ZINC001605052661	1169796704	/nfs/dbraw/zinc/79/67/04/1169796704.db2.gz	KLJIHUKAARVNAE-HNNXBMFYSA-N	-1	0	311.382	0.798	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cc(CO)ccc2O)o1	ZINC001606020071	1170053418	/nfs/dbraw/zinc/05/34/18/1170053418.db2.gz	QUKIVSPLGRXRME-UHFFFAOYSA-N	-1	0	315.293	0.807	20	30		DCEDRM
CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC001606072317	1170070015	/nfs/dbraw/zinc/07/00/15/1170070015.db2.gz	PBEALWIOTVJERP-LLVKDONJSA-N	-1	0	316.360	0.749	20	30		DCEDRM
CN(CCC#N)C(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC001606115107	1170080879	/nfs/dbraw/zinc/08/08/79/1170080879.db2.gz	ACWUSKPBZWSDHQ-UHFFFAOYSA-N	-1	0	311.244	0.974	20	30		DCEDRM
Cn1nc(Cn2cnc(-c3nnn[n-]3)c2C#N)cc1C(F)(F)F	ZINC001606270705	1170144033	/nfs/dbraw/zinc/14/40/33/1170144033.db2.gz	BODIBAGCWXMRMG-UHFFFAOYSA-N	-1	0	323.242	0.735	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001606343206	1170163095	/nfs/dbraw/zinc/16/30/95/1170163095.db2.gz	IPUJZXYVESEDNY-IHRRRGAJSA-N	-1	0	318.329	0.540	20	30		DCEDRM
N#Cc1ccc(Cn2cc([N+](=O)[O-])c(-c3nnn[n-]3)n2)s1	ZINC001606369382	1170171555	/nfs/dbraw/zinc/17/15/55/1170171555.db2.gz	XVRVOGHIRSSGTQ-UHFFFAOYSA-N	-1	0	302.279	0.953	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(C#N)[nH]c1C	ZINC001606383367	1170175507	/nfs/dbraw/zinc/17/55/07/1170175507.db2.gz	DXNKRDWKSPZCLR-JOYOIKCWSA-N	-1	0	319.317	0.673	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)Nc2cccc(C#N)n2)C[C@H]1C(=O)[O-]	ZINC001606421809	1170193664	/nfs/dbraw/zinc/19/36/64/1170193664.db2.gz	LGYRQTUSJPRKQK-ZJUUUORDSA-N	-1	0	318.289	0.291	20	30		DCEDRM
COC[C@H](CCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)OC	ZINC001606799498	1170294875	/nfs/dbraw/zinc/29/48/75/1170294875.db2.gz	HQBARZXALXLBSK-NSHDSACASA-N	-1	0	313.354	0.438	20	30		DCEDRM
COc1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)ccc1C#N	ZINC001607068195	1170378123	/nfs/dbraw/zinc/37/81/23/1170378123.db2.gz	KTFARNZSSXNCCG-NEPJUHHUSA-N	-1	0	304.302	0.474	20	30		DCEDRM
COc1cc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])ccc1C#N	ZINC001607145445	1170409827	/nfs/dbraw/zinc/40/98/27/1170409827.db2.gz	LXADQKURKSICHP-MRVPVSSYSA-N	-1	0	306.274	0.313	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C[C@H]1C(=O)[O-]	ZINC001607428069	1170450586	/nfs/dbraw/zinc/45/05/86/1170450586.db2.gz	SGAYIWCEVVYHNM-LDYMZIIASA-N	-1	0	319.292	0.815	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC001607458232	1170458663	/nfs/dbraw/zinc/45/86/63/1170458663.db2.gz	IEUIVKWADAYLGG-UWVGGRQHSA-N	-1	0	319.317	0.031	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)Nc1cc(F)c(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001607460579	1170459088	/nfs/dbraw/zinc/45/90/88/1170459088.db2.gz	SHGQFXZIJVZEAK-BQBZGAKWSA-N	-1	0	324.268	0.995	20	30		DCEDRM
Cc1cc(C(=O)NCC(=O)NCC#N)cc(C)c1OCC(=O)[O-]	ZINC001607576654	1170478886	/nfs/dbraw/zinc/47/88/86/1170478886.db2.gz	GVTWDFPUBJGIQA-UHFFFAOYSA-N	-1	0	319.317	0.136	20	30		DCEDRM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CC(O)(CC#N)C2)c1C	ZINC001607591354	1170480977	/nfs/dbraw/zinc/48/09/77/1170480977.db2.gz	HUPZBRIPJMYVEW-UHFFFAOYSA-N	-1	0	324.358	0.651	20	30		DCEDRM
Cc1ccc(C#N)c(N(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1	ZINC001607724440	1170500503	/nfs/dbraw/zinc/50/05/03/1170500503.db2.gz	YFQAOBMMAQHKGR-NWDGAFQWSA-N	-1	0	302.334	0.535	20	30		DCEDRM
Cc1nn(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)c(C#N)c1C	ZINC001608003729	1170545295	/nfs/dbraw/zinc/54/52/95/1170545295.db2.gz	NYAPHYDSHKVOKW-LBPRGKRZSA-N	-1	0	320.349	0.347	20	30		DCEDRM
Cn1ncc2c1nc(N1CCC(C#N)(C(=O)[O-])CC1)[nH]c2=O	ZINC001608159889	1170601818	/nfs/dbraw/zinc/60/18/18/1170601818.db2.gz	ZCPAAGAXYWMYOQ-UHFFFAOYSA-N	-1	0	302.294	0.264	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1ccc(Cl)nc1	ZINC001608186406	1170605290	/nfs/dbraw/zinc/60/52/90/1170605290.db2.gz	MJYWDSVDZAIPLS-UHFFFAOYSA-N	-1	0	303.727	0.724	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])C1	ZINC001608180963	1170610463	/nfs/dbraw/zinc/61/04/63/1170610463.db2.gz	BWNCOHSWTOINBZ-CYBMUJFWSA-N	-1	0	323.330	0.262	20	30		DCEDRM
N#CCSCC(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-]	ZINC001608186942	1170612432	/nfs/dbraw/zinc/61/24/32/1170612432.db2.gz	GYOWDEJAQCWLRZ-GFCCVEGCSA-N	-1	0	306.343	0.987	20	30		DCEDRM
N#CCN1CCC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1	ZINC001608188426	1170612549	/nfs/dbraw/zinc/61/25/49/1170612549.db2.gz	VLWJZERTAUCAOT-QWHCGFSZSA-N	-1	0	309.366	0.503	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1	ZINC001608190185	1170612916	/nfs/dbraw/zinc/61/29/16/1170612916.db2.gz	LYGVLXHLTRMIJM-DTWKUNHWSA-N	-1	0	302.290	0.527	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N[C@@H](Cn1ccnc1)C(=O)[O-]	ZINC001608189235	1170612953	/nfs/dbraw/zinc/61/29/53/1170612953.db2.gz	IXSFIKAKDHJBKS-AWEZNQCLSA-N	-1	0	312.329	0.761	20	30		DCEDRM
N#CCc1ccc(CS(=O)(=O)NC[C@H](O)CC(=O)[O-])cc1	ZINC001608188540	1170613055	/nfs/dbraw/zinc/61/30/55/1170613055.db2.gz	PYTURRDLBAPQOH-GFCCVEGCSA-N	-1	0	312.347	0.008	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(Cc2cc(=O)[nH]c(C3CC3)n2)c1=O	ZINC001608196256	1170613834	/nfs/dbraw/zinc/61/38/34/1170613834.db2.gz	SHNIPPAIHHKLJA-UHFFFAOYSA-N	-1	0	312.285	0.839	20	30		DCEDRM
N#Cc1cc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)ccn1	ZINC001608196548	1170614223	/nfs/dbraw/zinc/61/42/23/1170614223.db2.gz	AKHACRIEQLXNEX-UHFFFAOYSA-N	-1	0	300.230	0.770	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC2(CC(=O)[O-])CCOCC2)nc1	ZINC001608201018	1170614800	/nfs/dbraw/zinc/61/48/00/1170614800.db2.gz	VKUOLSFKSOUPDI-UHFFFAOYSA-N	-1	0	303.318	0.955	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCOCC2CC2)c(C(=O)[O-])c1	ZINC001608211672	1170615892	/nfs/dbraw/zinc/61/58/92/1170615892.db2.gz	HNOBDZGNUSSCFI-UHFFFAOYSA-N	-1	0	324.358	0.961	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)Oc2cnccc2C(=O)[O-])c1	ZINC001608222658	1170618387	/nfs/dbraw/zinc/61/83/87/1170618387.db2.gz	KALWKCZBELYEPV-UHFFFAOYSA-N	-1	0	305.271	0.814	20	30		DCEDRM
NS(=O)(=O)c1ccc(N=NC2CCC[C@@H](C(=O)[O-])C2)nc1	ZINC001608262528	1170636516	/nfs/dbraw/zinc/63/65/16/1170636516.db2.gz	FBGMWJMSGBTYHW-MRVPVSSYSA-N	-1	0	312.351	0.772	20	30		DCEDRM
O=C([O-])[C@@H](O)C1CCN(C(=O)c2cccc(C#CCO)c2)CC1	ZINC001608557346	1170701596	/nfs/dbraw/zinc/70/15/96/1170701596.db2.gz	JQYZFCASXAEGLL-HNNXBMFYSA-N	-1	0	317.341	0.328	20	30		DCEDRM
C#CCn1ccnc1C=Nn1c(C)cc(C)c(-c2nnn[n-]2)c1=O	ZINC001609021807	1170786611	/nfs/dbraw/zinc/78/66/11/1170786611.db2.gz	DVPPHAGCIGPSFJ-UHFFFAOYSA-N	-1	0	322.332	0.357	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(-c2nn[nH]n2)cs1	ZINC001609020462	1170786707	/nfs/dbraw/zinc/78/67/07/1170786707.db2.gz	HRGOZMYPLLQIIZ-UHFFFAOYSA-N	-1	0	311.348	0.011	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)[C@H]1CCCO1	ZINC001609058311	1170794452	/nfs/dbraw/zinc/79/44/52/1170794452.db2.gz	WBDAUTPYQVZYJZ-VXGBXAGGSA-N	-1	0	315.391	0.732	20	30		DCEDRM
C[C@@H](C(=O)NCc1ccc(C#N)cc1)n1cnc(-c2nnn[n-]2)n1	ZINC001609070143	1170798365	/nfs/dbraw/zinc/79/83/65/1170798365.db2.gz	JGQRVRBVPYORIE-VIFPVBQESA-N	-1	0	323.320	0.207	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc2c(ncnc2N(C)C)n1C)C(=O)[O-]	ZINC001609079151	1170802332	/nfs/dbraw/zinc/80/23/32/1170802332.db2.gz	ZQUGPSMCOKHVJS-SNVBAGLBSA-N	-1	0	315.333	0.241	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC001609105111	1170809427	/nfs/dbraw/zinc/80/94/27/1170809427.db2.gz	JWNYRMYBNOPQHR-QMMMGPOBSA-N	-1	0	310.331	0.275	20	30		DCEDRM
CC1=C(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)SCCO1	ZINC001609151036	1170827868	/nfs/dbraw/zinc/82/78/68/1170827868.db2.gz	AGDDWDMCEFVDPW-UHFFFAOYSA-N	-1	0	318.322	0.395	20	30		DCEDRM
CC[C@H](NN=Cc1ccc(-c2nn[nH]n2)c(OC)c1)C(=O)[O-]	ZINC001609194771	1170861491	/nfs/dbraw/zinc/86/14/91/1170861491.db2.gz	NEYHEYGRRUNKDL-JTQLQIEISA-N	-1	0	304.310	0.662	20	30		DCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001609329203	1170940576	/nfs/dbraw/zinc/94/05/76/1170940576.db2.gz	JRFJZTCLLTXYJD-SDDRHHMPSA-N	-1	0	312.366	0.141	20	30		DCEDRM
C=CCN1CC[C@@H](N[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)C1=O	ZINC001609399029	1170967715	/nfs/dbraw/zinc/96/77/15/1170967715.db2.gz	XOYBVANWNSYZEW-BXUZGUMPSA-N	-1	0	320.345	0.903	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])C1	ZINC001609407122	1170968695	/nfs/dbraw/zinc/96/86/95/1170968695.db2.gz	JTJWIJUQQUYKSI-JTQLQIEISA-N	-1	0	321.333	0.763	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c[nH]nc1-c1cccnc1)C(=O)[O-]	ZINC001609442828	1170979146	/nfs/dbraw/zinc/97/91/46/1170979146.db2.gz	HCUJTANFORQJLR-LBPRGKRZSA-N	-1	0	316.317	0.857	20	30		DCEDRM
N#Cc1nc(NC(=O)c2c[nH]c(C3CC3)n2)[n-]c1-c1nn[nH]n1	ZINC001609496642	1170999765	/nfs/dbraw/zinc/99/97/65/1170999765.db2.gz	ZOGOCAKOINZSTF-UHFFFAOYSA-N	-1	0	310.281	0.314	20	30		DCEDRM
C[C@@H](C#N)Oc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	ZINC001609631932	1171055671	/nfs/dbraw/zinc/05/56/71/1171055671.db2.gz	VMSGKXJNDRNGIF-FZMZJTMJSA-N	-1	0	317.345	0.753	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC001610000101	1171133127	/nfs/dbraw/zinc/13/31/27/1171133127.db2.gz	IWDSXUWDJYKBQK-GFCCVEGCSA-N	-1	0	319.383	0.080	20	30		DCEDRM
CN1CCN(S(=O)(=O)c2ccccc2C#N)C[C@@H](C(=O)[O-])C1	ZINC001610137798	1171171843	/nfs/dbraw/zinc/17/18/43/1171171843.db2.gz	IHMFMYSJOSGWEQ-LBPRGKRZSA-N	-1	0	323.374	0.195	20	30		DCEDRM
CO[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C(=O)[O-])C1	ZINC001610237930	1171203484	/nfs/dbraw/zinc/20/34/84/1171203484.db2.gz	QRTFMOJJSHGMPW-LALPHHSUSA-N	-1	0	311.382	0.605	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC001610258293	1171211132	/nfs/dbraw/zinc/21/11/32/1171211132.db2.gz	MLGARFGCFXNBMT-UHFFFAOYSA-N	-1	0	316.310	0.685	20	30		DCEDRM
Cc1nn(CC(=O)[O-])c(C)c1CNS(=O)(=O)CCCC#N	ZINC001610570430	1171256797	/nfs/dbraw/zinc/25/67/97/1171256797.db2.gz	YHJPQPIISYRDPG-UHFFFAOYSA-N	-1	0	314.367	0.308	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCN(CCC(=O)[O-])CC2)CC1	ZINC001610620430	1171270613	/nfs/dbraw/zinc/27/06/13/1171270613.db2.gz	GTGYUUCZGIUBCU-UHFFFAOYSA-N	-1	0	315.395	0.102	20	30		DCEDRM
N#C[C@]1(F)CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1	ZINC001610620313	1171270817	/nfs/dbraw/zinc/27/08/17/1171270817.db2.gz	KWNITJAWCHYRPH-SECBINFHSA-N	-1	0	305.312	0.468	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])CCO1	ZINC001610620776	1171271476	/nfs/dbraw/zinc/27/14/76/1171271476.db2.gz	NJZMATCWJSDSMP-VIFPVBQESA-N	-1	0	314.294	0.437	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1	ZINC001610630171	1171272256	/nfs/dbraw/zinc/27/22/56/1171272256.db2.gz	PDZDBSCZVITLBE-ZDUSSCGKSA-N	-1	0	324.358	0.404	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CN2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC001610627972	1171272423	/nfs/dbraw/zinc/27/24/23/1171272423.db2.gz	KYXCQUDGNVWCES-CQSZACIVSA-N	-1	0	317.345	0.350	20	30		DCEDRM
N#Cc1cccc(NC(=O)NCC2(C(=O)[O-])CCOCC2)n1	ZINC001610631440	1171272630	/nfs/dbraw/zinc/27/26/30/1171272630.db2.gz	ZANHYIGXQAFXBA-UHFFFAOYSA-N	-1	0	304.306	0.956	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])s1	ZINC001610629876	1171272912	/nfs/dbraw/zinc/27/29/12/1171272912.db2.gz	BMFVDKURYLQXTK-PSASIEDQSA-N	-1	0	316.360	0.218	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N[C@@H](CC(=O)[O-])C2CC2)c1	ZINC001610631128	1171272934	/nfs/dbraw/zinc/27/29/34/1171272934.db2.gz	OPPYJWAJPIJJRJ-LBPRGKRZSA-N	-1	0	301.302	0.866	20	30		DCEDRM
O=C([O-])c1coc(C(=O)NCCNC(=O)C2N=CC=CC2=O)c1	ZINC001610884694	1171348883	/nfs/dbraw/zinc/34/88/83/1171348883.db2.gz	ZFYFBHIHTJMQDM-QBFSEMIESA-N	-1	0	319.273	0.234	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2nc(-c3ccccc3)c[nH]2)c(C#N)c1=O	ZINC001611852339	1171357844	/nfs/dbraw/zinc/35/78/44/1171357844.db2.gz	GNHPPZUKCKIBQF-UHFFFAOYSA-N	-1	0	322.328	0.947	20	30		DCEDRM
N#Cc1ccc(CC(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)cn1	ZINC001616334027	1171377404	/nfs/dbraw/zinc/37/74/04/1171377404.db2.gz	XRDDBYQWMXUZCL-UHFFFAOYSA-N	-1	0	321.300	0.816	20	30		DCEDRM
N#C[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)c1ccc(F)cc1	ZINC001623830477	1171443921	/nfs/dbraw/zinc/44/39/21/1171443921.db2.gz	QRDZDXGBWHGLKS-LLVKDONJSA-N	-1	0	319.296	0.990	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12	ZINC001628287496	1171522557	/nfs/dbraw/zinc/52/25/57/1171522557.db2.gz	XRVRTQWGQZYPCG-SECBINFHSA-N	-1	0	324.362	0.464	20	30		DCEDRM
Cc1ccc(O)c(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001632239383	1171614573	/nfs/dbraw/zinc/61/45/73/1171614573.db2.gz	ISSOJZLAZUUQAH-UHFFFAOYSA-N	-1	0	300.274	0.473	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC001632992779	1171629881	/nfs/dbraw/zinc/62/98/81/1171629881.db2.gz	NMQGLEXBEIUXFN-UHFFFAOYSA-N	-1	0	317.305	0.816	20	30		DCEDRM
C=C(C)C[C@H](CO)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001633175718	1171635364	/nfs/dbraw/zinc/63/53/64/1171635364.db2.gz	NGKVFSKVEBNSOG-LLVKDONJSA-N	-1	0	318.333	0.323	20	30		DCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC001633175317	1171635502	/nfs/dbraw/zinc/63/55/02/1171635502.db2.gz	AGWHYFQDKKIEJN-VIFPVBQESA-N	-1	0	318.333	0.801	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001635398294	1171702054	/nfs/dbraw/zinc/70/20/54/1171702054.db2.gz	VMFUQIQMJYQMET-NSHDSACASA-N	-1	0	317.349	0.239	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)c1nn(-c2cccc(F)c2)cc1[O-]	ZINC001636838490	1171750437	/nfs/dbraw/zinc/75/04/37/1171750437.db2.gz	BLJADWUDTKQLNJ-LLVKDONJSA-N	-1	0	303.293	0.831	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001638181286	1171791144	/nfs/dbraw/zinc/79/11/44/1171791144.db2.gz	BSKCSYNIKXDHEV-QWHCGFSZSA-N	-1	0	320.397	0.452	20	30		DCEDRM
CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1nnn[n-]1	ZINC001641462293	1171916657	/nfs/dbraw/zinc/91/66/57/1171916657.db2.gz	NXHOVBKROMWQSM-VIFPVBQESA-N	-1	0	308.342	0.469	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)Cc2cccnc2)CCOCC1	ZINC001645941825	1172190723	/nfs/dbraw/zinc/19/07/23/1172190723.db2.gz	DAWAPRUEBXBIMA-UHFFFAOYSA-N	-1	0	323.374	0.738	20	30		DCEDRM
C=CCOCCNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001646431261	1172379113	/nfs/dbraw/zinc/37/91/13/1172379113.db2.gz	KSOZIOQHEPSONX-UHFFFAOYSA-N	-1	0	317.349	0.505	20	30		DCEDRM
Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1C[C@H]2CC[C@@H](C1)O2	ZINC001646672884	1172464516	/nfs/dbraw/zinc/46/45/16/1172464516.db2.gz	PVWXSDFMJOOAFN-TXEJJXNPSA-N	-1	0	312.333	0.822	20	30		DCEDRM
COc1ccccc1CN(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001647623948	1173004800	/nfs/dbraw/zinc/00/48/00/1173004800.db2.gz	UWCQIWKZLHNBAR-UHFFFAOYSA-N	-1	0	300.318	0.590	20	30		DCEDRM
C[C@@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)Oc1ccc(F)cc1	ZINC001650229823	1173525412	/nfs/dbraw/zinc/52/54/12/1173525412.db2.gz	YTQJJFAHYVPUBJ-VIFPVBQESA-N	-1	0	318.308	0.964	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](C2CCC2)[C@@H]2CCCO2)c(C#N)c1=O	ZINC001650230493	1173525630	/nfs/dbraw/zinc/52/56/30/1173525630.db2.gz	BTZHNYWSLPGTSV-RYUDHWBXSA-N	-1	0	304.350	0.705	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC(c3ccccn3)CC2)c(C#N)c1=O	ZINC001650228817	1173526008	/nfs/dbraw/zinc/52/60/08/1173526008.db2.gz	RCERVKIZKYRUCQ-UHFFFAOYSA-N	-1	0	311.345	0.724	20	30		DCEDRM
Cn1nc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c2ccccc21	ZINC001650954012	1173737164	/nfs/dbraw/zinc/73/71/64/1173737164.db2.gz	SNZCFUDKVHCXBC-UHFFFAOYSA-N	-1	0	310.317	0.444	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1cc(F)cc(C#N)c1	ZINC001655889591	1173829935	/nfs/dbraw/zinc/82/99/35/1173829935.db2.gz	UZOSFGYWNHCUOQ-UHFFFAOYSA-N	-1	0	301.299	0.043	20	30		DCEDRM
CO[N-]C(=O)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC001664570222	1174439529	/nfs/dbraw/zinc/43/95/29/1174439529.db2.gz	DRCGNDOVGKYEKG-UHFFFAOYSA-N	-1	0	303.727	0.168	20	30		DCEDRM
C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001665392737	1174514944	/nfs/dbraw/zinc/51/49/44/1174514944.db2.gz	TXXJWDCFGNYZAY-QWRGUYRKSA-N	-1	0	305.382	0.898	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001666724750	1174631573	/nfs/dbraw/zinc/63/15/73/1174631573.db2.gz	LBNOSUFCOWDTEK-NSHDSACASA-N	-1	0	323.397	0.430	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CCO1	ZINC000093932599	1175685955	/nfs/dbraw/zinc/68/59/55/1175685955.db2.gz	CTHLZMMCDKLXNQ-MRVPVSSYSA-N	-1	0	312.303	0.003	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1	ZINC001685649656	1176038327	/nfs/dbraw/zinc/03/83/27/1176038327.db2.gz	ODYNMNGRKXLEJK-VXGBXAGGSA-N	-1	0	321.381	0.387	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@H](CC)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001688765210	1176614402	/nfs/dbraw/zinc/61/44/02/1176614402.db2.gz	BDIVGGOUMGYOQG-QMMMGPOBSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001689297112	1176803042	/nfs/dbraw/zinc/80/30/42/1176803042.db2.gz	GGJZHWIXLJJUCX-IYKSTZQJSA-N	-1	0	322.365	0.153	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@H](C)[C@@H](C)NCC#N)cc1=O	ZINC001700408506	1178610219	/nfs/dbraw/zinc/61/02/19/1178610219.db2.gz	LBWQZOYVQBITHX-VXGBXAGGSA-N	-1	0	307.398	0.381	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1	ZINC001700495016	1178638184	/nfs/dbraw/zinc/63/81/84/1178638184.db2.gz	PHDUMOCGTARDEA-MDZLAQPJSA-N	-1	0	323.397	0.428	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)C#CC(C)C)c1[O-]	ZINC001701186908	1178950546	/nfs/dbraw/zinc/95/05/46/1178950546.db2.gz	QKUNSCKBSQLHBY-JTQLQIEISA-N	-1	0	306.366	0.660	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001701613267	1179089755	/nfs/dbraw/zinc/08/97/55/1179089755.db2.gz	GFNXBIADIGCFPA-RFAUZJTJSA-N	-1	0	324.381	0.328	20	30		DCEDRM
C=CCCC(=O)N(CC)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001703718765	1179654183	/nfs/dbraw/zinc/65/41/83/1179654183.db2.gz	LAHOORYPLUFVID-UHFFFAOYSA-N	-1	0	323.353	0.217	20	30		DCEDRM
CC#CCCCC(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001707053374	1180404118	/nfs/dbraw/zinc/40/41/18/1180404118.db2.gz	YRGGQTRODCFJBJ-LBPRGKRZSA-N	-1	0	305.382	0.737	20	30		DCEDRM
C=CC[C@@H](NC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-]	ZINC000159726917	1180566887	/nfs/dbraw/zinc/56/68/87/1180566887.db2.gz	RRJZBFHRQGZILX-SNVBAGLBSA-N	-1	0	313.335	0.485	20	30		DCEDRM
C=C(C)CCC(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001720828942	1183734246	/nfs/dbraw/zinc/73/42/46/1183734246.db2.gz	XPAAWUZZVUHHQR-DTORHVGOSA-N	-1	0	321.337	0.016	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001721063336	1183810462	/nfs/dbraw/zinc/81/04/62/1183810462.db2.gz	FEQPLLQLMQQXBQ-NSHDSACASA-N	-1	0	324.381	0.593	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001731496035	1185361357	/nfs/dbraw/zinc/36/13/57/1185361357.db2.gz	BDLUGHLZADRZCW-GFCCVEGCSA-N	-1	0	305.382	0.642	20	30		DCEDRM
C=C(C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001735738479	1186941903	/nfs/dbraw/zinc/94/19/03/1186941903.db2.gz	QSOXWBYPVBDBNT-GHMZBOCLSA-N	-1	0	322.365	0.082	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C#CC(C)C)C[C@@H]2C)c1[O-]	ZINC001738952649	1187709794	/nfs/dbraw/zinc/70/97/94/1187709794.db2.gz	WUTAHCINNOYINJ-JQWIXIFHSA-N	-1	0	318.377	0.802	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001747449451	1188266877	/nfs/dbraw/zinc/26/68/77/1188266877.db2.gz	DLYPVFNUKWQUFG-WPRPVWTQSA-N	-1	0	310.354	0.249	20	30		DCEDRM
C=CCOCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001756815285	1189459147	/nfs/dbraw/zinc/45/91/47/1189459147.db2.gz	LXGYHXJMNJMFEB-NXEZZACHSA-N	-1	0	324.381	0.639	20	30		DCEDRM
C[C@H]1COc2ccccc2CN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001772118912	1190611378	/nfs/dbraw/zinc/61/13/78/1190611378.db2.gz	ZGKIIAFCXWVXEL-JTQLQIEISA-N	-1	0	312.329	0.733	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H]2CC[C@H](C(F)(F)F)O2)c(C#N)c1=O	ZINC001772118982	1190611468	/nfs/dbraw/zinc/61/14/68/1190611468.db2.gz	LDECKYVEKPQLGO-HTRCEHHLSA-N	-1	0	318.255	0.467	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNc2ccc(C#N)nn2)c1[O-]	ZINC001107125871	751875932	/nfs/dbraw/zinc/87/59/32/751875932.db2.gz	DZJDBGMDOYNICP-NSCUHMNNSA-N	-1	0	313.321	0.484	20	30		DCEDRM
CCn1cc(N[C@@H]2CO[N-]C2=O)c2sc(C#N)cc2c1=O	ZINC001167523000	747354329	/nfs/dbraw/zinc/35/43/29/747354329.db2.gz	UZZBFEQGNUQLNN-SNVBAGLBSA-N	-1	0	304.331	0.796	20	30		DCEDRM
Cc1ccc(-n2c(N)c(C#N)c(N)nc2=NC2CC2)cc1C(=O)[O-]	ZINC001211596231	747489722	/nfs/dbraw/zinc/48/97/22/747489722.db2.gz	AIXAGCDORKWHQR-UHFFFAOYSA-N	-1	0	324.344	0.978	20	30		DCEDRM
Cc1cc(C)c(C#N)c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1	ZINC001167860647	748444137	/nfs/dbraw/zinc/44/41/37/748444137.db2.gz	CBULQLFZZDOLFL-WPRPVWTQSA-N	-1	0	310.335	0.384	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(Cl)ncn1	ZINC001226644215	748927986	/nfs/dbraw/zinc/92/79/86/748927986.db2.gz	JCPUCQAPVPASMD-MRVPVSSYSA-N	-1	0	308.743	0.968	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncc(Cl)cn1	ZINC001226660721	748930795	/nfs/dbraw/zinc/93/07/95/748930795.db2.gz	LCTFWAPEDWUJCG-VIFPVBQESA-N	-1	0	308.743	0.968	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001060289620	750473569	/nfs/dbraw/zinc/47/35/69/750473569.db2.gz	QFHDNBWGKGUSSM-KOLCDFICSA-N	-1	0	319.365	0.552	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H]1CNCC#N	ZINC001106872083	751331190	/nfs/dbraw/zinc/33/11/90/751331190.db2.gz	DUQMEWIOCURIFJ-NXEZZACHSA-N	-1	0	315.333	0.750	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001044038700	752527304	/nfs/dbraw/zinc/52/73/04/752527304.db2.gz	FZXHLLNMGAUNFE-AAEUAGOBSA-N	-1	0	321.381	0.134	20	30		DCEDRM
C=CCOCC(=O)N1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](C)C1	ZINC001071807670	762151271	/nfs/dbraw/zinc/15/12/71/762151271.db2.gz	AWOYLPMXJVBXLE-ONGXEEELSA-N	-1	0	322.365	0.203	20	30		DCEDRM
C=CCCO[N-]C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC001168626498	752755571	/nfs/dbraw/zinc/75/55/71/752755571.db2.gz	CEWMNJOAAWXEFX-UHFFFAOYSA-N	-1	0	319.273	0.815	20	30		DCEDRM
N#Cc1cnc2nc(Cl)ccc2c1-n1[n-]c(=O)nc1C[NH3+]	ZINC001168755521	754421882	/nfs/dbraw/zinc/42/18/82/754421882.db2.gz	FPIIHEMLTIJVMG-UHFFFAOYSA-N	-1	0	301.697	0.900	20	30		DCEDRM
O=C(C#CC1CC1)N1CCC[C@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001049466541	755276098	/nfs/dbraw/zinc/27/60/98/755276098.db2.gz	GCNDYOKUKVYIBB-STQMWFEESA-N	-1	0	315.377	0.489	20	30		DCEDRM
C#CCCCC(=O)N(CC)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001079680977	755957816	/nfs/dbraw/zinc/95/78/16/755957816.db2.gz	QBXPVQMOIOIFFG-UHFFFAOYSA-N	-1	0	318.377	0.900	20	30		DCEDRM
C=CC[C@H](NC(=O)NC[C@]1(OC(C)C)CCOC1)C(=O)[O-]	ZINC001119559683	757998906	/nfs/dbraw/zinc/99/89/06/757998906.db2.gz	MYDMYLPHUUBLFX-SMDDNHRTSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=C(C)CCN1CCOC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001050874258	758197223	/nfs/dbraw/zinc/19/72/23/758197223.db2.gz	BHFQIXJSMVKUTC-LBPRGKRZSA-N	-1	0	308.382	0.821	20	30		DCEDRM
CN(C[C@@H]1CCN1CC#N)C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001085924048	759478281	/nfs/dbraw/zinc/47/82/81/759478281.db2.gz	NENKDHSDCNZGRZ-VIFPVBQESA-N	-1	0	301.306	0.598	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCCNc2ccc(C#N)nn2)c1[O-]	ZINC001109413143	761402234	/nfs/dbraw/zinc/40/22/34/761402234.db2.gz	GTLDETDANDRPAN-UHFFFAOYSA-N	-1	0	315.337	0.660	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCCNc2ccncc2C#N)c1[O-]	ZINC001109413252	761402337	/nfs/dbraw/zinc/40/23/37/761402337.db2.gz	KHZOIXPTNSVUIH-UHFFFAOYSA-N	-1	0	314.349	0.687	20	30		DCEDRM
CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1cnc(C#N)cn1	ZINC001103046142	764920607	/nfs/dbraw/zinc/92/06/07/764920607.db2.gz	OAEFPZOPBRLWEE-VIFPVBQESA-N	-1	0	315.337	0.706	20	30		DCEDRM
C=CC[C@@H](NC(=O)CNC(=O)c1cccc(OC)c1)C(=O)[O-]	ZINC001116921707	765927279	/nfs/dbraw/zinc/92/72/79/765927279.db2.gz	GTUWVMVSXPFZDA-GFCCVEGCSA-N	-1	0	306.318	0.571	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccn1)C(=O)[O-]	ZINC001119645710	766759506	/nfs/dbraw/zinc/75/95/06/766759506.db2.gz	VKAHBNHZAJSTMA-KGLIPLIRSA-N	-1	0	301.346	0.639	20	30		DCEDRM
C#CCCCCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001121817217	767642086	/nfs/dbraw/zinc/64/20/86/767642086.db2.gz	KXKUQCLYUYMFKJ-GFCCVEGCSA-N	-1	0	309.366	0.555	20	30		DCEDRM
C#CCN1CC(OC2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)C1	ZINC001093529315	768604428	/nfs/dbraw/zinc/60/44/28/768604428.db2.gz	SOGGMUSBZKRDQJ-UHFFFAOYSA-N	-1	0	318.377	0.362	20	30		DCEDRM
COC(=O)Cc1ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc1C#N	ZINC001231029456	769154557	/nfs/dbraw/zinc/15/45/57/769154557.db2.gz	BXMOREZRPZKWNP-NSHDSACASA-N	-1	0	307.258	0.015	20	30		DCEDRM
COC(=O)C1=NC(C(=O)OC)C([O-])=C1OC1CN(CCC#N)C1	ZINC001234355657	769633993	/nfs/dbraw/zinc/63/39/93/769633993.db2.gz	SJNUVKZVOUHKDL-UHFFFAOYSA-N	-1	0	323.305	0.270	20	30		DCEDRM
N#CNC(=NC(=O)c1c[n-]c2cccnc2c1=O)c1ccncc1	ZINC001153861029	769967428	/nfs/dbraw/zinc/96/74/28/769967428.db2.gz	VIOIRUFHPOTTBE-UHFFFAOYSA-N	-1	0	318.296	0.976	20	30		DCEDRM
N=C(NC(=O)C#Cc1ccccn1)SCCS(=O)(=O)[O-]	ZINC001177805719	770553595	/nfs/dbraw/zinc/55/35/95/770553595.db2.gz	ITGSXHRVUKZWCM-UHFFFAOYSA-N	-1	0	313.360	0.105	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)c1nc[n-]c(=O)c1Br	ZINC001156158630	770735474	/nfs/dbraw/zinc/73/54/74/770735474.db2.gz	XLKJMBHUBVVKEU-ZCFIWIBFSA-N	-1	0	302.128	0.612	20	30		DCEDRM
C[C@H]1C[C@@H]1C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001178565557	770800285	/nfs/dbraw/zinc/80/02/85/770800285.db2.gz	UOAZQFFLYYNAHW-XHNCKOQMSA-N	-1	0	312.328	0.185	20	30		DCEDRM
C=C(C)C(=O)NCCCNC(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180175996	771067487	/nfs/dbraw/zinc/06/74/87/771067487.db2.gz	HKNVIRMSDJCMBN-UHFFFAOYSA-N	-1	0	314.235	0.540	20	30		DCEDRM
COCCC1(NC(=O)c2[nH]nc(C)c2[O-])CCN(CC#N)CC1	ZINC001151080871	771403234	/nfs/dbraw/zinc/40/32/34/771403234.db2.gz	YPGUHCOVCYZMML-UHFFFAOYSA-N	-1	0	321.381	0.548	20	30		DCEDRM
NS(=O)(=O)c1cncc(NC(=O)CCC(=O)C2=CC=C[CH]2)c1	ZINC001184241749	771762093	/nfs/dbraw/zinc/76/20/93/771762093.db2.gz	ZMQBKGLQYZWWCX-UHFFFAOYSA-N	-1	0	320.350	0.717	20	30		DCEDRM
COC(=O)c1ncc(=O)[nH]c1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184246366	771763038	/nfs/dbraw/zinc/76/30/38/771763038.db2.gz	REPUFBMKYSIRLJ-UHFFFAOYSA-N	-1	0	316.293	0.545	20	30		DCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)N[C@@H]1COCCC12OCCO2	ZINC001184244796	771763090	/nfs/dbraw/zinc/76/30/90/771763090.db2.gz	VRKNOXJSWPOEDE-CQSZACIVSA-N	-1	0	306.338	0.684	20	30		DCEDRM
C#CCCCC(=O)NCCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001159957339	771982612	/nfs/dbraw/zinc/98/26/12/771982612.db2.gz	BWKRDBRYWGQLCG-UHFFFAOYSA-N	-1	0	317.393	0.952	20	30		DCEDRM
CC(C)C#CC(=O)NCCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001160054977	771992843	/nfs/dbraw/zinc/99/28/43/771992843.db2.gz	PAUMRUKZRXMBJR-UHFFFAOYSA-N	-1	0	317.393	0.808	20	30		DCEDRM
N#Cc1cnn2c1[nH]c(=O)cc2[N-]S(=O)(=O)c1ccoc1	ZINC001188571223	772320254	/nfs/dbraw/zinc/32/02/54/772320254.db2.gz	ZKVIVVOKEZRKAP-UHFFFAOYSA-N	-1	0	305.275	0.700	20	30		DCEDRM
Cc1ccnnc1N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001163065076	772452714	/nfs/dbraw/zinc/45/27/14/772452714.db2.gz	BUSGTSFIRBLBID-VIFPVBQESA-N	-1	0	322.327	0.305	20	30		DCEDRM
COc1nc(S(=O)(=O)[N-]c2c(C#N)ncn2C)ccc1F	ZINC001190067256	772575432	/nfs/dbraw/zinc/57/54/32/772575432.db2.gz	ZDVVQRSZLMDHBK-UHFFFAOYSA-N	-1	0	311.298	0.635	20	30		DCEDRM
N#Cc1cnc(NCC[N-]C(=O)C(F)(F)F)c([N+](=O)[O-])c1	ZINC001164238539	772629733	/nfs/dbraw/zinc/62/97/33/772629733.db2.gz	WRQOCLOHUKAITI-UHFFFAOYSA-N	-1	0	303.200	0.952	20	30		DCEDRM
CC(C)(O)C#Cc1ccc(C(=O)NCC(=O)CCC(=O)[O-])cc1	ZINC001191188608	772738089	/nfs/dbraw/zinc/73/80/89/772738089.db2.gz	MBRSDPAQNZJCFB-UHFFFAOYSA-N	-1	0	317.341	0.973	20	30		DCEDRM
CCOC(=O)c1cnn2cccc([N-]S(=O)(=O)CC#N)c12	ZINC001192943317	772976470	/nfs/dbraw/zinc/97/64/70/772976470.db2.gz	OHXJPOWLUAQJOZ-UHFFFAOYSA-N	-1	0	308.319	0.776	20	30		DCEDRM
CCCCCCOC(=O)CCC(=O)CNS(=O)(=O)CC#N	ZINC001192996805	772986596	/nfs/dbraw/zinc/98/65/96/772986596.db2.gz	ZICOJIPPUXHSJE-UHFFFAOYSA-N	-1	0	318.395	0.902	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ncc(CO)cc1Br	ZINC001193106132	773006137	/nfs/dbraw/zinc/00/61/37/773006137.db2.gz	CLFRSMNLZYILDU-LURJTMIESA-N	-1	0	320.168	0.990	20	30		DCEDRM
CC(=O)OCN1CCC(NC(=O)c2ccc([O-])c(C#N)c2)CC1	ZINC001193519226	773077425	/nfs/dbraw/zinc/07/74/25/773077425.db2.gz	UHTHJSBIUKUJDR-UHFFFAOYSA-N	-1	0	317.345	0.979	20	30		DCEDRM
CCOC(=O)CC1(NC(=O)c2cccc(C#N)c2[O-])COC1	ZINC001193658150	773099535	/nfs/dbraw/zinc/09/95/35/773099535.db2.gz	VNMYRCIWJJZOMM-UHFFFAOYSA-N	-1	0	304.302	0.716	20	30		DCEDRM
C=CCCOCC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001194382192	773184377	/nfs/dbraw/zinc/18/43/77/773184377.db2.gz	VAIFLCIKPVXCPU-NSHDSACASA-N	-1	0	309.370	0.136	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1	ZINC001195187740	773338358	/nfs/dbraw/zinc/33/83/58/773338358.db2.gz	XBBAITRHWBFQQN-UHFFFAOYSA-N	-1	0	302.258	0.807	20	30		DCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2ccc(OC)nc2)c(C#C)n1	ZINC001195694881	773463678	/nfs/dbraw/zinc/46/36/78/773463678.db2.gz	LLYCCDUUWMNKSV-UHFFFAOYSA-N	-1	0	314.326	0.644	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccsc1C(=O)N1CCNC[C@@H]1C#N	ZINC001196723911	773638126	/nfs/dbraw/zinc/63/81/26/773638126.db2.gz	YAUPBARYQXNQIK-QMMMGPOBSA-N	-1	0	314.392	0.057	20	30		DCEDRM
N#C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl)C(N)=O	ZINC001197549782	773764981	/nfs/dbraw/zinc/76/49/81/773764981.db2.gz	YDFLJDTZGLPICP-VIFPVBQESA-N	-1	0	322.173	0.790	20	30		DCEDRM
N#CC1(NS(=O)(=O)c2ccccc2C(=O)[O-])CCOCC1	ZINC001198807178	773986214	/nfs/dbraw/zinc/98/62/14/773986214.db2.gz	AHRYJXIGCDAKLE-UHFFFAOYSA-N	-1	0	310.331	0.736	20	30		DCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1cc(F)cnc1C#N	ZINC001201906555	774576424	/nfs/dbraw/zinc/57/64/24/774576424.db2.gz	ZWCHUFNAJHYEKK-UHFFFAOYSA-N	-1	0	301.299	0.787	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ccnc(C#N)c1	ZINC001222734120	775423392	/nfs/dbraw/zinc/42/33/92/775423392.db2.gz	FSPVNYHQWCWBDQ-CYBMUJFWSA-N	-1	0	312.347	0.929	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ncccc1C#N	ZINC001222742144	775424730	/nfs/dbraw/zinc/42/47/30/775424730.db2.gz	JYNPSOVTKPREOX-LBPRGKRZSA-N	-1	0	312.347	0.929	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](OCCS(=O)(=O)[O-])C1	ZINC001224568755	775584377	/nfs/dbraw/zinc/58/43/77/775584377.db2.gz	MTPHZCMZUQBPRV-UWVGGRQHSA-N	-1	0	320.367	0.650	20	30		DCEDRM
CC(=O)OCC(COC(C)=O)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226222055	775784459	/nfs/dbraw/zinc/78/44/59/775784459.db2.gz	UESDEJMOQIYEEB-UHFFFAOYSA-N	-1	0	308.290	0.841	20	30		DCEDRM
CC1=C(Oc2nc(=O)[n-]nc2Br)C(=O)[C@@H](C)O1	ZINC001227064741	775920331	/nfs/dbraw/zinc/92/03/31/775920331.db2.gz	UAAQOBFCECSDKX-GSVOUGTGSA-N	-1	0	302.084	0.938	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C)nc(C)n1	ZINC001228141598	776052185	/nfs/dbraw/zinc/05/21/85/776052185.db2.gz	QWWSYFVMMCOGRB-LLVKDONJSA-N	-1	0	302.352	0.931	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(OC)cnn1	ZINC001228373298	776076056	/nfs/dbraw/zinc/07/60/56/776076056.db2.gz	PNVWJHGLBNERNA-JTQLQIEISA-N	-1	0	304.324	0.323	20	30		DCEDRM
C=CCC1(NS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CCOCC1	ZINC001465113562	804132938	/nfs/dbraw/zinc/13/29/38/804132938.db2.gz	WUULDQJRKXVDJI-MNOVXSKESA-N	-1	0	303.380	0.894	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)CSc2nncs2)CC1	ZINC001601051379	1168577547	/nfs/dbraw/zinc/57/75/47/1168577547.db2.gz	NBIVGWVAHBBIKS-UHFFFAOYSA-N	-1	0	312.376	0.847	20	30		DCEDRM
N#CC1(NC(=O)CN[C@H](Cc2cncs2)C(=O)[O-])CCC1	ZINC001601056781	1168578198	/nfs/dbraw/zinc/57/81/98/1168578198.db2.gz	AHLKKOZYKCVOEP-SNVBAGLBSA-N	-1	0	308.363	0.291	20	30		DCEDRM
N#CCN(CCC(=O)[O-])CC(=O)N1CCc2sccc2C1	ZINC001601071624	1168580873	/nfs/dbraw/zinc/58/08/73/1168580873.db2.gz	ALCXJSVLTAOWBM-UHFFFAOYSA-N	-1	0	307.375	0.933	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N(CC(=O)[O-])C2CCOCC2)CC1	ZINC001601063173	1168580071	/nfs/dbraw/zinc/58/00/71/1168580071.db2.gz	RKHZGJIZQVUESB-UHFFFAOYSA-N	-1	0	316.379	0.576	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1	ZINC001602683754	1169158459	/nfs/dbraw/zinc/15/84/59/1169158459.db2.gz	VEKCMYPQYYJVGH-SECBINFHSA-N	-1	0	309.322	0.945	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001268022362	939743574	/nfs/dbraw/zinc/74/35/74/939743574.db2.gz	PYHJALBZMAEHSS-LLVKDONJSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001268352599	940075351	/nfs/dbraw/zinc/07/53/51/940075351.db2.gz	ZABKGORIJJNGIF-CQSZACIVSA-N	-1	0	309.370	0.040	20	30		DCEDRM
C=CCOCC(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001269655512	940750158	/nfs/dbraw/zinc/75/01/58/940750158.db2.gz	YRXXYGDGVSFSJQ-TXEJJXNPSA-N	-1	0	321.381	0.278	20	30		DCEDRM
C#CC[NH+]1CCC(C)(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1	ZINC001270237858	940863708	/nfs/dbraw/zinc/86/37/08/940863708.db2.gz	XRRDYZLZWXDTJQ-UHFFFAOYSA-N	-1	0	321.381	0.073	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC001610920450	970788872	/nfs/dbraw/zinc/78/88/72/970788872.db2.gz	GBWYUPUVIGETBV-UHFFFAOYSA-N	-1	0	301.302	0.380	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](CC(N)=O)C2CCCCC2)c(C#N)c1=O	ZINC001412879447	942126116	/nfs/dbraw/zinc/12/61/16/942126116.db2.gz	LVWCXOOKMUNYIJ-LLVKDONJSA-N	-1	0	319.365	0.181	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1	ZINC001413046997	942240167	/nfs/dbraw/zinc/24/01/67/942240167.db2.gz	FSAPZDBMPVQZMG-NXEZZACHSA-N	-1	0	323.374	0.615	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cncc(N3CCCC3)n2)[n-]c1C#N	ZINC001413198294	942555932	/nfs/dbraw/zinc/55/59/32/942555932.db2.gz	XUZCGUCMYALMTQ-UHFFFAOYSA-N	-1	0	308.305	0.796	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cnc(C3CC3)o2)c(=O)[n-]c1=O	ZINC001413308263	942619317	/nfs/dbraw/zinc/61/93/17/942619317.db2.gz	JDPMIGIYEJCFPO-UHFFFAOYSA-N	-1	0	315.289	0.116	20	30		DCEDRM
C[C@@H](Cc1ccco1)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413311734	942622333	/nfs/dbraw/zinc/62/23/33/942622333.db2.gz	VTHWARQOFSPCNP-JTQLQIEISA-N	-1	0	316.317	0.409	20	30		DCEDRM
N#Cc1c(Br)cccc1S(=O)(=O)NCC(=O)[O-]	ZINC001601081533	970928383	/nfs/dbraw/zinc/92/83/83/970928383.db2.gz	LYTMVYDIYOWTAX-UHFFFAOYSA-N	-1	0	319.136	0.684	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1	ZINC001413389315	942944885	/nfs/dbraw/zinc/94/48/85/942944885.db2.gz	TYPUAGALEWXYBH-LBPRGKRZSA-N	-1	0	313.321	0.083	20	30		DCEDRM
CS(=O)(=O)CCCS(=O)(=O)Nc1cccc(CC#N)n1	ZINC001464654132	943562864	/nfs/dbraw/zinc/56/28/64/943562864.db2.gz	ABBQSEHMHGTUFP-UHFFFAOYSA-N	-1	0	317.392	0.324	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001485414610	943930082	/nfs/dbraw/zinc/93/00/82/943930082.db2.gz	UTABZDXDLNQYFO-LLVKDONJSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=C(C)CN1CC(N(C)C(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC001277616926	944910038	/nfs/dbraw/zinc/91/00/38/944910038.db2.gz	BUBFXMJAFVKJSL-UHFFFAOYSA-N	-1	0	309.370	0.188	20	30		DCEDRM
C=CCCCCN1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1	ZINC001277788880	944979687	/nfs/dbraw/zinc/97/96/87/944979687.db2.gz	OEQQRILQBHKOND-UHFFFAOYSA-N	-1	0	316.369	0.279	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C)c2ccccc21	ZINC001319767753	945661696	/nfs/dbraw/zinc/66/16/96/945661696.db2.gz	VVRNOSGWZSJSLA-NSHDSACASA-N	-1	0	308.359	0.769	20	30		DCEDRM
C=CC[C@H](NC(=O)NCCCOC[C@@H]1CCCO1)C(=O)[O-]	ZINC001321112146	946171196	/nfs/dbraw/zinc/17/11/96/946171196.db2.gz	WAGUBIYERFCFTB-RYUDHWBXSA-N	-1	0	300.355	0.901	20	30		DCEDRM
CC[C@H](CC#N)N1CCN(CCCCS(=O)(=O)[O-])CC1	ZINC001255178183	946475491	/nfs/dbraw/zinc/47/54/91/946475491.db2.gz	BWPYRDFMRXXAST-CYBMUJFWSA-N	-1	0	303.428	0.964	20	30		DCEDRM
C#C[C@@H](CCC)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001602672383	971237090	/nfs/dbraw/zinc/23/70/90/971237090.db2.gz	MFVBKMGUQJWJIU-NWDGAFQWSA-N	-1	0	309.366	0.553	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC001602679856	971262346	/nfs/dbraw/zinc/26/23/46/971262346.db2.gz	XQGOSKHVMWZZKU-UHFFFAOYSA-N	-1	0	319.704	0.697	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2nccn3cnnc23)cc1	ZINC001258039701	946792934	/nfs/dbraw/zinc/79/29/34/946792934.db2.gz	ZGILDCKKXUDWOG-UHFFFAOYSA-N	-1	0	300.303	0.797	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)NCc1cccc(OCC#N)c1	ZINC001258469284	946840840	/nfs/dbraw/zinc/84/08/40/946840840.db2.gz	ZLCHXROZQYLPAD-UHFFFAOYSA-N	-1	0	321.333	0.289	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CCC2(CCOCC2)CO1	ZINC001602686143	971286297	/nfs/dbraw/zinc/28/62/97/971286297.db2.gz	RXGLKIOONVUERI-CYBMUJFWSA-N	-1	0	324.377	0.692	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1[nH]nc(CC)c1Br	ZINC001602691246	971294504	/nfs/dbraw/zinc/29/45/04/971294504.db2.gz	DCFJOMMVJNOWLK-UHFFFAOYSA-N	-1	0	314.139	0.895	20	30		DCEDRM
CN(C)c1nc(NS(=O)(=O)c2cccc(C#N)c2)cc(=O)[nH]1	ZINC001259118619	946914822	/nfs/dbraw/zinc/91/48/22/946914822.db2.gz	STRLRDMGUCZCJJ-UHFFFAOYSA-N	-1	0	319.346	0.921	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2[nH]c(=O)n(CC)c2c1	ZINC001602692527	971303986	/nfs/dbraw/zinc/30/39/86/971303986.db2.gz	SGAYDYIAWHBSSE-UHFFFAOYSA-N	-1	0	301.302	0.922	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](C)O)n1C[C@H]1CCCCO1	ZINC001602700780	971321169	/nfs/dbraw/zinc/32/11/69/971321169.db2.gz	IZMHHHQYDUWJQE-NWDGAFQWSA-N	-1	0	322.365	0.425	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CCC1=O	ZINC001260225122	947085860	/nfs/dbraw/zinc/08/58/60/947085860.db2.gz	FAHRCAVXWHXPNX-JTQLQIEISA-N	-1	0	308.315	0.488	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@]2(OC)CCOC2)n1CC=C	ZINC001602701109	971326110	/nfs/dbraw/zinc/32/61/10/971326110.db2.gz	WOYWHWGKHNDRNB-OAHLLOKOSA-N	-1	0	320.349	0.250	20	30		DCEDRM
C=C(Br)CNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001602707366	971344003	/nfs/dbraw/zinc/34/40/03/971344003.db2.gz	RZWLVESFNLDAMY-UHFFFAOYSA-N	-1	0	315.123	0.571	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1	ZINC001261457277	947299416	/nfs/dbraw/zinc/29/94/16/947299416.db2.gz	DPPCYHRCFKLHDQ-NSHDSACASA-N	-1	0	312.347	0.745	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001602717176	971364191	/nfs/dbraw/zinc/36/41/91/971364191.db2.gz	CAFQPUBZJFTBIT-RYUDHWBXSA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1	ZINC001602717420	971367197	/nfs/dbraw/zinc/36/71/97/971367197.db2.gz	MGMANRLYQCAZQP-MKBNYLNASA-N	-1	0	321.377	0.764	20	30		DCEDRM
C#CC[C@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)c1ccccc1	ZINC001324534228	947449352	/nfs/dbraw/zinc/44/93/52/947449352.db2.gz	XRVQNMWCBVVXDE-HIFRSBDPSA-N	-1	0	316.357	0.952	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1	ZINC001261838226	947456457	/nfs/dbraw/zinc/45/64/57/947456457.db2.gz	ZYZLYNCLCJEZDB-XQQFMLRXSA-N	-1	0	324.377	0.359	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C(CC)(CC)C(=O)[O-])C(=O)OC	ZINC001602723077	971393558	/nfs/dbraw/zinc/39/35/58/971393558.db2.gz	KFWTUJAUULOTPK-SNVBAGLBSA-N	-1	0	301.339	0.738	20	30		DCEDRM
C=CCOCC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-]	ZINC001602723205	971395213	/nfs/dbraw/zinc/39/52/13/971395213.db2.gz	UQKFUFDJINBPGJ-ZDUSSCGKSA-N	-1	0	321.329	0.892	20	30		DCEDRM
C=CCNC(=O)Cn1cc(CN2CCCC[C@@H]2C(=O)[O-])nn1	ZINC001602723275	971395218	/nfs/dbraw/zinc/39/52/18/971395218.db2.gz	YMUJBPFCJNFLFT-GFCCVEGCSA-N	-1	0	307.354	0.019	20	30		DCEDRM
C=CCONC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C	ZINC001573347223	947571843	/nfs/dbraw/zinc/57/18/43/947571843.db2.gz	AXONQDBNFWRPFP-UHFFFAOYSA-N	-1	0	318.337	0.751	20	30		DCEDRM
C=CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602730150	971406968	/nfs/dbraw/zinc/40/69/68/971406968.db2.gz	VOIJBANCVWWDRG-TUAOUCFPSA-N	-1	0	321.381	0.113	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001602730970	971411547	/nfs/dbraw/zinc/41/15/47/971411547.db2.gz	OJSZHNIKTGGLDW-TUAOUCFPSA-N	-1	0	307.354	0.565	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CC1(C)COC1	ZINC001262969186	947792092	/nfs/dbraw/zinc/79/20/92/947792092.db2.gz	AZHDKWOKDXIHMY-UHFFFAOYSA-N	-1	0	304.354	0.161	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001094160309	947795999	/nfs/dbraw/zinc/79/59/99/947795999.db2.gz	IPRAMXJUJIDZJQ-UHFFFAOYSA-N	-1	0	323.316	0.131	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)[N-]OCc1ccccc1OC	ZINC001325475942	947809668	/nfs/dbraw/zinc/80/96/68/947809668.db2.gz	RMHXMJITAQVZRG-GFCCVEGCSA-N	-1	0	308.334	0.560	20	30		DCEDRM
CC(C)(CCNC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001325813948	947931358	/nfs/dbraw/zinc/93/13/58/947931358.db2.gz	NBQCOFYUBSCVSU-SEYXRHQNSA-N	-1	0	323.349	0.520	20	30		DCEDRM
C#CCO[N-]C(=O)CNS(=O)(=O)c1ccc(OCC)cc1	ZINC001327625322	948575693	/nfs/dbraw/zinc/57/56/93/948575693.db2.gz	OQEZKFKRCBQLGG-UHFFFAOYSA-N	-1	0	312.347	0.045	20	30		DCEDRM
C=C(C)CS(=O)(=O)NCc1c(C)nn(CC(=O)[O-])c1C	ZINC001328182010	948734872	/nfs/dbraw/zinc/73/48/72/948734872.db2.gz	UJGRQPXMUKHJRE-UHFFFAOYSA-N	-1	0	301.368	0.580	20	30		DCEDRM
CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCO[C@@H]2C)n1	ZINC001264028139	948841102	/nfs/dbraw/zinc/84/11/02/948841102.db2.gz	KYGRNEHXXFBNLS-YPMHNXCESA-N	-1	0	318.377	0.336	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1CC	ZINC001264607209	949021338	/nfs/dbraw/zinc/02/13/38/949021338.db2.gz	ABAXTWZVIMDPCC-GRYCIOLGSA-N	-1	0	321.381	0.018	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2	ZINC001602796006	971559427	/nfs/dbraw/zinc/55/94/27/971559427.db2.gz	SACFONBZCLRIIK-WPRPVWTQSA-N	-1	0	318.285	0.826	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC[C@H]2c2ccc[nH]2)c(=O)[n-]c1=O	ZINC001364481840	949395231	/nfs/dbraw/zinc/39/52/31/949395231.db2.gz	GLTBGYIIXZSICO-LBPRGKRZSA-N	-1	0	313.317	0.512	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCC[C@@H]2OC)n1	ZINC001489076651	949468531	/nfs/dbraw/zinc/46/85/31/949468531.db2.gz	OZGGIYRLUJCCBE-STQMWFEESA-N	-1	0	318.377	0.336	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	ZINC001329282351	949482738	/nfs/dbraw/zinc/48/27/38/949482738.db2.gz	SMWQUTQSHMVPJS-LBPRGKRZSA-N	-1	0	312.366	0.854	20	30		DCEDRM
CN(C(=O)CNc1[n-]c(=O)n(C)c(=O)c1C#N)C1CCCCC1	ZINC001364561619	949549753	/nfs/dbraw/zinc/54/97/53/949549753.db2.gz	VYXKJKBRWXWPKG-UHFFFAOYSA-N	-1	0	319.365	0.148	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)Nc2ccc(Cl)c(F)c2)c1=O	ZINC001364616740	949639839	/nfs/dbraw/zinc/63/98/39/949639839.db2.gz	PGSRQJQWQHQXKH-UHFFFAOYSA-N	-1	0	322.683	0.839	20	30		DCEDRM
CC(C)N1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC1=O	ZINC001364717064	949803317	/nfs/dbraw/zinc/80/33/17/949803317.db2.gz	DLMAZHPDXVVIJB-UHFFFAOYSA-N	-1	0	314.349	0.359	20	30		DCEDRM
N#CCNC[C@@H]1CCCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001265629672	949825412	/nfs/dbraw/zinc/82/54/12/949825412.db2.gz	DWCVWIBMFKPSIX-JTQLQIEISA-N	-1	0	315.333	0.894	20	30		DCEDRM
Cc1ccc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)cc1C#N	ZINC001364735455	949845072	/nfs/dbraw/zinc/84/50/72/949845072.db2.gz	VTKLJNLMTAFXKY-UHFFFAOYSA-N	-1	0	315.333	0.966	20	30		DCEDRM
CCN(C(=O)C(=O)Nc1cc(F)cc(C#N)c1)[C@H](C)C(=O)[O-]	ZINC001589697546	950185697	/nfs/dbraw/zinc/18/56/97/950185697.db2.gz	YJMOJBNUHMTOHV-MRVPVSSYSA-N	-1	0	307.281	0.957	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(C(=O)[O-])cn1	ZINC001589719368	950401895	/nfs/dbraw/zinc/40/18/95/950401895.db2.gz	FEUBCWFXCZWHSL-JTQLQIEISA-N	-1	0	319.317	0.945	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H](CCO)c2ccccc2)c(C#N)c1=O	ZINC001365214719	950751592	/nfs/dbraw/zinc/75/15/92/950751592.db2.gz	MBUGAWNSZHVXGV-GFCCVEGCSA-N	-1	0	314.345	0.523	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CCc3cc(C#N)ccc32)c(C#N)c1=O	ZINC001365227882	950773138	/nfs/dbraw/zinc/77/31/38/950773138.db2.gz	VEVCDWCVELYJTB-CYBMUJFWSA-N	-1	0	307.313	0.916	20	30		DCEDRM
COc1nscc1CN(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365239284	950792618	/nfs/dbraw/zinc/79/26/18/950792618.db2.gz	OZXGMUGCGKUFBT-UHFFFAOYSA-N	-1	0	307.335	0.047	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-]c1nnn(C)n1	ZINC001365457637	951149139	/nfs/dbraw/zinc/14/91/39/951149139.db2.gz	LNOZCHAFJSNAAV-UHFFFAOYSA-N	-1	0	306.351	0.641	20	30		DCEDRM
CN(C)c1n[nH]c(CNS(=O)(=O)c2cccc(F)c2C#N)n1	ZINC001365458523	951152000	/nfs/dbraw/zinc/15/20/00/951152000.db2.gz	AUTZFDJINFFMKL-UHFFFAOYSA-N	-1	0	324.341	0.360	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCCC2(C1)OCCO2	ZINC001411958535	952569089	/nfs/dbraw/zinc/56/90/89/952569089.db2.gz	UDXOEBKMAHCKEP-UHFFFAOYSA-N	-1	0	303.318	0.946	20	30		DCEDRM
Cc1csc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001412152011	952666030	/nfs/dbraw/zinc/66/60/30/952666030.db2.gz	APTDTUJLMPDILB-UHFFFAOYSA-N	-1	0	304.331	0.507	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCOCc2ccccc2)c(C#N)c1=O	ZINC001336454134	952701242	/nfs/dbraw/zinc/70/12/42/952701242.db2.gz	ZTYAWVSPHAGJMS-UHFFFAOYSA-N	-1	0	314.345	0.964	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCc2cccs2)c(=O)[n-]c1=O	ZINC001412350015	952758953	/nfs/dbraw/zinc/75/89/53/952758953.db2.gz	GEFULROFWOFQMZ-UHFFFAOYSA-N	-1	0	318.358	0.631	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CC=C(Cl)Cl	ZINC001338146296	952970874	/nfs/dbraw/zinc/97/08/74/952970874.db2.gz	MQIVSMLDDKWIBK-UHFFFAOYSA-N	-1	0	300.163	0.791	20	30		DCEDRM
CC1(C)CC[C@@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001412696246	953002893	/nfs/dbraw/zinc/00/28/93/953002893.db2.gz	WBJXKJHIHRQUDE-LLVKDONJSA-N	-1	0	304.350	0.906	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CC3(C2)CCOC[C@H]3C(N)=O)c1[O-]	ZINC001276215511	953012648	/nfs/dbraw/zinc/01/26/48/953012648.db2.gz	LNOAVCSHAADHEY-LBPRGKRZSA-N	-1	0	315.329	0.228	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@H]1CC[C@@H]1OC	ZINC001339710727	953114157	/nfs/dbraw/zinc/11/41/57/953114157.db2.gz	SFXQFZJPCZVLGN-QWRGUYRKSA-N	-1	0	304.354	0.302	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2ccc([S@](C)=O)cc2)c1=O	ZINC001339942154	953133181	/nfs/dbraw/zinc/13/31/81/953133181.db2.gz	PNTWLLUTGHRYCN-FQEVSTJZSA-N	-1	0	308.388	0.855	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)[C@@]1(C(=O)[O-])C[NH2+]CCO1	ZINC001340065806	953141544	/nfs/dbraw/zinc/14/15/44/953141544.db2.gz	SPVSBOYAEROYIE-MRXNPFEDSA-N	-1	0	320.345	0.311	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1C[C@@H](C)OC2(CCC2)C1	ZINC001340589020	953180436	/nfs/dbraw/zinc/18/04/36/953180436.db2.gz	SCNXIHQBACRKAO-SNVBAGLBSA-N	-1	0	316.369	0.792	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1conc1COC	ZINC001341938980	953259801	/nfs/dbraw/zinc/25/98/01/953259801.db2.gz	WOOFSGKUAUMQPY-SNVBAGLBSA-N	-1	0	309.322	0.686	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC001342558579	953295749	/nfs/dbraw/zinc/29/57/49/953295749.db2.gz	PHAHTCVCXQQKBS-VIFPVBQESA-N	-1	0	302.250	0.117	20	30		DCEDRM
C#C[C@@H]1CCCCN1c1nnc(CCc2nn[nH]n2)n1CC	ZINC001342939351	953315439	/nfs/dbraw/zinc/31/54/39/953315439.db2.gz	GLVNDLVXURRZIS-LLVKDONJSA-N	-1	0	300.370	0.588	20	30		DCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2nn[nH]n2)n1CCCOCC	ZINC001343237743	953330908	/nfs/dbraw/zinc/33/09/08/953330908.db2.gz	MIVYFPDOGXBJNA-SNVBAGLBSA-N	-1	0	304.358	0.343	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C	ZINC001343710348	953368120	/nfs/dbraw/zinc/36/81/20/953368120.db2.gz	HEOFXIMZBIGAQW-UHFFFAOYSA-N	-1	0	317.305	0.389	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001281932317	953419216	/nfs/dbraw/zinc/41/92/16/953419216.db2.gz	KLKNYOXWGMNUKG-NHYWBVRUSA-N	-1	0	323.397	0.260	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCSCC1	ZINC001346515207	953906606	/nfs/dbraw/zinc/90/66/06/953906606.db2.gz	LIOHNEFOABLPOF-UHFFFAOYSA-N	-1	0	306.395	0.631	20	30		DCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CCCOCC	ZINC001346857513	953971164	/nfs/dbraw/zinc/97/11/64/953971164.db2.gz	ABYDDHJETYZCTL-LLVKDONJSA-N	-1	0	318.381	0.387	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)C1	ZINC001348839880	954496256	/nfs/dbraw/zinc/49/62/56/954496256.db2.gz	GZOFVUCMXHUPAJ-RWMBFGLXSA-N	-1	0	324.377	0.359	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001283852831	954665153	/nfs/dbraw/zinc/66/51/53/954665153.db2.gz	XIBTUVXUVYFGQS-LLVKDONJSA-N	-1	0	304.350	0.558	20	30		DCEDRM
CC[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC001589441166	954718877	/nfs/dbraw/zinc/71/88/77/954718877.db2.gz	VNPXHBIJSBTGCA-KBPBESRZSA-N	-1	0	324.425	0.474	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)c1	ZINC001366736286	954741563	/nfs/dbraw/zinc/74/15/63/954741563.db2.gz	XXODFDQKQNIDOM-UHFFFAOYSA-N	-1	0	315.337	0.104	20	30		DCEDRM
CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)C#CC1CC1	ZINC001284610061	955199750	/nfs/dbraw/zinc/19/97/50/955199750.db2.gz	XDSADVKWYKSQGV-UHFFFAOYSA-N	-1	0	304.350	0.415	20	30		DCEDRM
C=CCCCC(=O)N(C)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC001284787660	955261936	/nfs/dbraw/zinc/26/19/36/955261936.db2.gz	LNALGEIZHNFJIS-UHFFFAOYSA-N	-1	0	307.398	0.544	20	30		DCEDRM
Cn1c(CC(C)(C)C#N)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001594517918	955431694	/nfs/dbraw/zinc/43/16/94/955431694.db2.gz	JIBJMKXOSLMPMS-MEBBXXQBSA-N	-1	0	319.365	0.445	20	30		DCEDRM
COC(=O)c1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])oc1C	ZINC001593870622	955629394	/nfs/dbraw/zinc/62/93/94/955629394.db2.gz	KWEJDVVRAFVMSE-AWEZNQCLSA-N	-1	0	308.290	0.995	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1	ZINC001593906074	955915476	/nfs/dbraw/zinc/91/54/76/955915476.db2.gz	OKXNOCLFRBRMFP-OLZOCXBDSA-N	-1	0	304.302	0.558	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCC(=O)Nc1ccc(C#N)cc1	ZINC001593930008	956164003	/nfs/dbraw/zinc/16/40/03/956164003.db2.gz	HTEGZTDLCFLBNN-AWEZNQCLSA-N	-1	0	306.274	0.530	20	30		DCEDRM
N#CCc1ccccc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001594611259	956212006	/nfs/dbraw/zinc/21/20/06/956212006.db2.gz	PVIDORJRDBKMBC-UHFFFAOYSA-N	-1	0	301.302	0.122	20	30		DCEDRM
CC[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H](O)C(F)(F)F	ZINC001413887904	956263373	/nfs/dbraw/zinc/26/33/73/956263373.db2.gz	QLCJOYWJSXRYAJ-RNFRBKRXSA-N	-1	0	306.244	0.059	20	30		DCEDRM
N#Cc1cccc(CC(=O)NCCOCCOCC(=O)[O-])c1	ZINC001594626427	956319064	/nfs/dbraw/zinc/31/90/64/956319064.db2.gz	ZRBQEXOFMYYBHT-UHFFFAOYSA-N	-1	0	306.318	0.335	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CCCCC(F)(F)F)c1=O	ZINC001594633899	956359645	/nfs/dbraw/zinc/35/96/45/956359645.db2.gz	YUGLXEJTXHCYQY-UHFFFAOYSA-N	-1	0	319.239	0.699	20	30		DCEDRM
N#Cc1sccc1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001594634980	956365501	/nfs/dbraw/zinc/36/55/01/956365501.db2.gz	FCSMPDNTCQDDIG-SNVBAGLBSA-N	-1	0	321.358	0.815	20	30		DCEDRM
C[C@@H](CC#N)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001603119382	972201187	/nfs/dbraw/zinc/20/11/87/972201187.db2.gz	XELICHYCHDRXQM-WDEREUQCSA-N	-1	0	307.350	0.460	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)Nc2cccc(C#N)n2)CCO1	ZINC001593978207	956684619	/nfs/dbraw/zinc/68/46/19/956684619.db2.gz	RCGPZJCDHMJYJW-CQSZACIVSA-N	-1	0	320.305	0.287	20	30		DCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N1CC[C@H](C)[C@@H](F)C1	ZINC001355899683	956742166	/nfs/dbraw/zinc/74/21/66/956742166.db2.gz	CSCDXSKLIMYJFA-QWRGUYRKSA-N	-1	0	320.376	0.947	20	30		DCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)N1CCCC[C@H]1C	ZINC001413882006	957507936	/nfs/dbraw/zinc/50/79/36/957507936.db2.gz	UEVIPIHJQFRGKQ-NXEZZACHSA-N	-1	0	319.365	0.147	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CC[NH+](C)C)CC(=O)[O-]	ZINC001594274118	957702882	/nfs/dbraw/zinc/70/28/82/957702882.db2.gz	ROGHTCMHEWGOMA-UHFFFAOYSA-N	-1	0	306.322	0.056	20	30		DCEDRM
Cc1cc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc(C)c1C#N	ZINC001594275325	957712602	/nfs/dbraw/zinc/71/26/02/957712602.db2.gz	IMHCJYHRLGMHLC-UHFFFAOYSA-N	-1	0	315.329	0.544	20	30		DCEDRM
CC[C@@H](C)[C@H](C(=O)[O-])N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC001604923869	1169745925	/nfs/dbraw/zinc/74/59/25/1169745925.db2.gz	PRMJPRUNGYZSBV-LSCVPOLPSA-N	-1	0	300.380	0.356	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)NC1(C(=O)[O-])CCOCC1	ZINC001594049154	957962909	/nfs/dbraw/zinc/96/29/09/957962909.db2.gz	GUPXBUJICTZLDZ-UHFFFAOYSA-N	-1	0	304.302	0.930	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)N(C)CCCC(=O)[O-]	ZINC001594049400	957966245	/nfs/dbraw/zinc/96/62/45/957966245.db2.gz	QQAWZXVDKIPHTG-UHFFFAOYSA-N	-1	0	319.317	0.829	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC001588386621	957981155	/nfs/dbraw/zinc/98/11/55/957981155.db2.gz	SPBXDYNWEPEKRN-STQMWFEESA-N	-1	0	306.362	0.714	20	30		DCEDRM
Cc1cc(F)ccc1N(CC#N)C(=O)c1cn(CC(=O)[O-])nn1	ZINC001594310712	958012117	/nfs/dbraw/zinc/01/21/17/958012117.db2.gz	CXULSHFUEAIKMG-UHFFFAOYSA-N	-1	0	317.280	0.981	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(F)c(OC)c1	ZINC001588395107	958038023	/nfs/dbraw/zinc/03/80/23/958038023.db2.gz	JPRVZXBORKHMAO-UHFFFAOYSA-N	-1	0	308.265	0.319	20	30		DCEDRM
C#CCCNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001588395300	958039886	/nfs/dbraw/zinc/03/98/86/958039886.db2.gz	FHWWNAZZBXEJAW-NSHDSACASA-N	-1	0	307.350	0.117	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N([C@@H](C)C(=O)[O-])C2CC2)ncc1C#N	ZINC001594313789	958050910	/nfs/dbraw/zinc/05/09/10/958050910.db2.gz	RRBUMQZESTUQHE-VIFPVBQESA-N	-1	0	316.317	0.664	20	30		DCEDRM
Cn1nccc1[C@@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC001345640067	958054388	/nfs/dbraw/zinc/05/43/88/958054388.db2.gz	XKRSHGYRFKXFNT-SNVBAGLBSA-N	-1	0	300.340	0.159	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN1Cc1ccccn1	ZINC001588399845	958076075	/nfs/dbraw/zinc/07/60/75/958076075.db2.gz	PNNSRZDBOFOFSD-AWEZNQCLSA-N	-1	0	301.346	0.592	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCC2(CCOCC2)O1	ZINC001588408345	958107734	/nfs/dbraw/zinc/10/77/34/958107734.db2.gz	IPOCSVWQFRVTTE-LBPRGKRZSA-N	-1	0	310.350	0.444	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CC(=O)[O-]	ZINC001594074996	958211092	/nfs/dbraw/zinc/21/10/92/958211092.db2.gz	JIBJFLVBRDGRCQ-MRVPVSSYSA-N	-1	0	305.290	0.485	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl	ZINC001588425206	958223492	/nfs/dbraw/zinc/22/34/92/958223492.db2.gz	JMGWYBYLQHUYFF-SECBINFHSA-N	-1	0	314.190	0.920	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cccc(=O)[nH]2)n1CC=C	ZINC001588426609	958230394	/nfs/dbraw/zinc/23/03/94/958230394.db2.gz	RCKVZTLDHOQEFW-UHFFFAOYSA-N	-1	0	313.317	0.756	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2CC2)n1C[C@@H]1CCCO1	ZINC001588426757	958233315	/nfs/dbraw/zinc/23/33/15/958233315.db2.gz	BFWGTFVWOBWVPP-LBPRGKRZSA-N	-1	0	304.350	0.859	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2oc(NC)nc2C)n1C	ZINC001588427238	958242698	/nfs/dbraw/zinc/24/26/98/958242698.db2.gz	RDERBJVROCBARI-UHFFFAOYSA-N	-1	0	304.310	0.344	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	ZINC001588430084	958252332	/nfs/dbraw/zinc/25/23/32/958252332.db2.gz	HFRVKIJCHLFDMJ-OLZOCXBDSA-N	-1	0	321.377	0.411	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001588430680	958260019	/nfs/dbraw/zinc/26/00/19/958260019.db2.gz	FYSOEXGNCWZFTG-ZWRZFFQRSA-N	-1	0	323.345	0.137	20	30		DCEDRM
C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001588431349	958267664	/nfs/dbraw/zinc/26/76/64/958267664.db2.gz	NMYGNQPMKWAPLX-LBPRGKRZSA-N	-1	0	315.285	0.218	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	ZINC001588433467	958297519	/nfs/dbraw/zinc/29/75/19/958297519.db2.gz	RBIWEAIVJZSZNQ-AVGNSLFASA-N	-1	0	306.362	0.618	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001588439033	958309448	/nfs/dbraw/zinc/30/94/48/958309448.db2.gz	FWXLYUGHDAYPQT-QGZVFWFLSA-N	-1	0	317.341	0.539	20	30		DCEDRM
C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588441603	958337946	/nfs/dbraw/zinc/33/79/46/958337946.db2.gz	DQNGSALFTWMPLV-QWRGUYRKSA-N	-1	0	319.365	0.716	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](CNC(=O)C#CC2CC2)C(C)C)c1[O-]	ZINC001297968406	958373586	/nfs/dbraw/zinc/37/35/86/958373586.db2.gz	WVQILTGIGNOBAK-LBPRGKRZSA-N	-1	0	318.377	0.708	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n1CCOC	ZINC001588451824	958415736	/nfs/dbraw/zinc/41/57/36/958415736.db2.gz	CCDSGGNPAQHRLK-WOPDTQHZSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=CCCOCCNC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001588460895	958480993	/nfs/dbraw/zinc/48/09/93/958480993.db2.gz	ZMSSENHZEDHVLU-AWEZNQCLSA-N	-1	0	316.354	0.091	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)Cc1cc(C(=O)[O-])nn1C	ZINC001573327177	958486420	/nfs/dbraw/zinc/48/64/20/958486420.db2.gz	HORWJJXSJVLBMR-UHFFFAOYSA-N	-1	0	307.350	0.895	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC001588465348	958501404	/nfs/dbraw/zinc/50/14/04/958501404.db2.gz	DKBCWZGLUFENPX-NSHDSACASA-N	-1	0	312.322	0.432	20	30		DCEDRM
C=CCN1CC[C@@H](n2cc(CN3CCC[C@H]3C(=O)[O-])nn2)C1=O	ZINC001588465462	958503755	/nfs/dbraw/zinc/50/37/55/958503755.db2.gz	KZXASFLYTKHVHP-OLZOCXBDSA-N	-1	0	319.365	0.287	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001588469459	958516490	/nfs/dbraw/zinc/51/64/90/958516490.db2.gz	ISYOWVFRCBRVPT-XQRVVYSFSA-N	-1	0	313.331	0.708	20	30		DCEDRM
CC[C@](C)(NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(N)=O	ZINC001361952296	958529739	/nfs/dbraw/zinc/52/97/39/958529739.db2.gz	YETHGVMJQCQUAC-ZDUSSCGKSA-N	-1	0	308.363	0.765	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1cc(C#N)[nH]c1C)[C@H](C)C(=O)[O-]	ZINC001588507535	958741067	/nfs/dbraw/zinc/74/10/67/958741067.db2.gz	IOXYYRIPLOWZPF-SECBINFHSA-N	-1	0	306.322	0.246	20	30		DCEDRM
CCCn1cc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001362134253	958797480	/nfs/dbraw/zinc/79/74/80/958797480.db2.gz	AEOWGRPOLLMHKN-UHFFFAOYSA-N	-1	0	316.321	0.456	20	30		DCEDRM
CC(=O)Nc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC001588520366	958832107	/nfs/dbraw/zinc/83/21/07/958832107.db2.gz	UJRGHXZLAUKZSR-CQSZACIVSA-N	-1	0	304.306	0.661	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC(OCC(N)=O)CC1	ZINC001362161859	958850310	/nfs/dbraw/zinc/85/03/10/958850310.db2.gz	YECNXUGSMMQCTC-UHFFFAOYSA-N	-1	0	318.333	0.074	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nc([C@@H]2CCCO2)n[nH]1	ZINC001588541467	958962620	/nfs/dbraw/zinc/96/26/20/958962620.db2.gz	BYJNXSPCIKYVNE-SDBXPKJASA-N	-1	0	307.310	0.277	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(CC(N)=O)cc1	ZINC001588557723	959072320	/nfs/dbraw/zinc/07/23/20/959072320.db2.gz	KPVLCKOVNMUKHQ-OAHLLOKOSA-N	-1	0	303.318	0.335	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[S@](=O)C[C@@H](C)C1	ZINC001362349914	959190409	/nfs/dbraw/zinc/19/04/09/959190409.db2.gz	BXVCPPQENUDFMM-FPVGNUTFSA-N	-1	0	307.375	0.808	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CC23CCCCC3)c(=O)[n-]c1=O	ZINC001362405916	959292232	/nfs/dbraw/zinc/29/22/32/959292232.db2.gz	WTXQPRASVZEKQY-LLVKDONJSA-N	-1	0	302.334	0.660	20	30		DCEDRM
CC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588640766	959688186	/nfs/dbraw/zinc/68/81/86/959688186.db2.gz	NDUCBOKPPQYOTG-BONVTDFDSA-N	-1	0	309.366	0.754	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1cccc(O)c1	ZINC001362643646	959752633	/nfs/dbraw/zinc/75/26/33/959752633.db2.gz	JCOGKPVQMIVDMV-SECBINFHSA-N	-1	0	314.301	0.404	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N(C)CCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001492327700	959835692	/nfs/dbraw/zinc/83/56/92/959835692.db2.gz	MWCUJFNQCYHZAF-NSHDSACASA-N	-1	0	324.381	0.593	20	30		DCEDRM
CCc1[nH]ccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362691556	959837602	/nfs/dbraw/zinc/83/76/02/959837602.db2.gz	YQKPTXVEWRWYRN-UHFFFAOYSA-N	-1	0	301.306	0.141	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC2(C(F)(F)F)CC2)c(=O)[n-]c1=O	ZINC001362706269	959864145	/nfs/dbraw/zinc/86/41/45/959864145.db2.gz	CDRUJFADXIHOKB-UHFFFAOYSA-N	-1	0	316.239	0.422	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O	ZINC001362816948	960032993	/nfs/dbraw/zinc/03/29/93/960032993.db2.gz	LFHHGDBSPANEEW-VXGBXAGGSA-N	-1	0	314.345	0.851	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(=O)[n-]c1=O	ZINC001362911033	960167498	/nfs/dbraw/zinc/16/74/98/960167498.db2.gz	HPOHLRXPGGBKDB-CKYFFXLPSA-N	-1	0	302.334	0.515	20	30		DCEDRM
C[C@@H](OC(=O)c1ccc(C(=O)[O-])cn1)C(=O)NC1(C#N)CCC1	ZINC001603274187	972490926	/nfs/dbraw/zinc/49/09/26/972490926.db2.gz	HLSYJVGJDPRVCM-SECBINFHSA-N	-1	0	317.301	0.888	20	30		DCEDRM
CCC(CC)(NC(=O)[C@@H](C)n1cnc(C#N)n1)c1nnn[n-]1	ZINC001363135998	960452919	/nfs/dbraw/zinc/45/29/19/960452919.db2.gz	LXECJBALVIXOQH-MRVPVSSYSA-N	-1	0	303.330	0.056	20	30		DCEDRM
Cc1csc([C@@H](C)CNc2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001363142059	960468597	/nfs/dbraw/zinc/46/85/97/960468597.db2.gz	JJHMOWHFQXKCAJ-ZETCQYMHSA-N	-1	0	305.363	0.926	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2c(F)cccc2F)c(=O)[n-]c1=O	ZINC001363286684	960791115	/nfs/dbraw/zinc/79/11/15/960791115.db2.gz	JVHLISBWNBPUDB-UHFFFAOYSA-N	-1	0	320.255	0.529	20	30		DCEDRM
C[C@@H]1CC=C(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001363287735	960796922	/nfs/dbraw/zinc/79/69/22/960796922.db2.gz	OMJJFBIOSNCVQX-SNVBAGLBSA-N	-1	0	302.334	0.683	20	30		DCEDRM
Cc1nnc(N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c(C#N)c1C	ZINC001571074364	960935120	/nfs/dbraw/zinc/93/51/20/960935120.db2.gz	HZKYXENLBGRLFN-AWEZNQCLSA-N	-1	0	301.306	0.775	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C(=O)[O-])C1	ZINC001571080581	961002264	/nfs/dbraw/zinc/00/22/64/961002264.db2.gz	SKVBILZHSQKOEX-UHFFFAOYSA-N	-1	0	303.318	0.751	20	30		DCEDRM
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363434351	961147170	/nfs/dbraw/zinc/14/71/70/961147170.db2.gz	JHNSEFFOHADRMN-VCDKRKBESA-N	-1	0	316.361	0.619	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCc2cc(C(=O)[O-])co2)nc1	ZINC001571096566	961171920	/nfs/dbraw/zinc/17/19/20/961171920.db2.gz	OTTSTSCKJLLDQY-UHFFFAOYSA-N	-1	0	307.287	0.723	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2COCCN2CC(F)F)[n-]c1C#N	ZINC001363467864	961216608	/nfs/dbraw/zinc/21/66/08/961216608.db2.gz	VPWIWKGCEPIRGB-VIFPVBQESA-N	-1	0	310.264	0.057	20	30		DCEDRM
N#Cc1cnccc1CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC001571101358	961225626	/nfs/dbraw/zinc/22/56/26/961225626.db2.gz	ADMYJWPCQGLDCB-LBPRGKRZSA-N	-1	0	309.347	0.027	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c(=O)[n-]c1=O	ZINC001363485263	961255256	/nfs/dbraw/zinc/25/52/56/961255256.db2.gz	XMSQFFHNIXQSNZ-AXFHLTTASA-N	-1	0	302.334	0.373	20	30		DCEDRM
N#Cc1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1F	ZINC001571112233	961348785	/nfs/dbraw/zinc/34/87/85/961348785.db2.gz	JQSSIAGPRPILLT-LBPRGKRZSA-N	-1	0	312.322	0.381	20	30		DCEDRM
N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cc1	ZINC001363522942	961353588	/nfs/dbraw/zinc/35/35/88/961353588.db2.gz	HKXUPQTYGBTOBR-ZIAGYGMSSA-N	-1	0	321.344	0.770	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)Cn2cccc(C(=O)[O-])c2=O)n1	ZINC001571112616	961355983	/nfs/dbraw/zinc/35/59/83/961355983.db2.gz	PBUAKBDNRITYNA-UHFFFAOYSA-N	-1	0	312.285	0.760	20	30		DCEDRM
CCOC[C@@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CCO1	ZINC001363551829	961421983	/nfs/dbraw/zinc/42/19/83/961421983.db2.gz	LDVCJSFDNUOBEP-LBPRGKRZSA-N	-1	0	305.334	0.845	20	30		DCEDRM
N#Cc1c[nH]c2cc(C(=O)NC3(C(=O)[O-])CC(CO)C3)ccc12	ZINC001571119021	961422455	/nfs/dbraw/zinc/42/24/55/961422455.db2.gz	QNRPSBORWANIIF-UHFFFAOYSA-N	-1	0	313.313	0.995	20	30		DCEDRM
Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c(C#N)cn1	ZINC001571124056	961480916	/nfs/dbraw/zinc/48/09/16/961480916.db2.gz	YFELRVLTYKNKBE-FDYHWXHSSA-N	-1	0	314.345	0.463	20	30		DCEDRM
CO[C@H]1CC[C@H](C)N(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001363593960	961514336	/nfs/dbraw/zinc/51/43/36/961514336.db2.gz	LFBKQZGQLKBZOL-JQWIXIFHSA-N	-1	0	320.349	0.237	20	30		DCEDRM
CC(C)(Cc1ccc(C#N)cc1)NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001363602660	961530251	/nfs/dbraw/zinc/53/02/51/961530251.db2.gz	XQEZFZCTXPONBK-UHFFFAOYSA-N	-1	0	315.333	0.698	20	30		DCEDRM
O=C([O-])[C@@H]1CC[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC001332414645	961563077	/nfs/dbraw/zinc/56/30/77/961563077.db2.gz	ZTFDXWKXQCLAGV-LYORMUPZSA-N	-1	0	321.333	0.272	20	30		DCEDRM
Cn1nnc2c1C[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)CC2	ZINC001571133798	961601096	/nfs/dbraw/zinc/60/10/96/961601096.db2.gz	WZIMYJYPKLTKDS-SNVBAGLBSA-N	-1	0	317.349	0.137	20	30		DCEDRM
Cn1nnc2c1C[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)CC2	ZINC001571133794	961601990	/nfs/dbraw/zinc/60/19/90/961601990.db2.gz	WZIMYJYPKLTKDS-JTQLQIEISA-N	-1	0	317.349	0.137	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC001333827860	961727273	/nfs/dbraw/zinc/72/72/73/961727273.db2.gz	AHHBKLYDRUZTAE-HZSPNIEDSA-N	-1	0	314.341	0.847	20	30		DCEDRM
N#C[C@@]12CN(Cc3cncc(C(=O)[O-])c3)C[C@H]1CS(=O)(=O)C2	ZINC001571150719	961799504	/nfs/dbraw/zinc/79/95/04/961799504.db2.gz	LLRPAXMIPJOKHJ-JSGCOSHPSA-N	-1	0	321.358	0.150	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3ccccc3O)C2)c(=O)[n-]c1=O	ZINC001363952047	962182528	/nfs/dbraw/zinc/18/25/28/962182528.db2.gz	PXPCVDCQMNMGOK-UHFFFAOYSA-N	-1	0	312.285	0.223	20	30		DCEDRM
CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1ccc(C#N)cn1	ZINC001364013031	962289862	/nfs/dbraw/zinc/28/98/62/962289862.db2.gz	WQYFSIUWUJFNMK-UHFFFAOYSA-N	-1	0	316.408	0.795	20	30		DCEDRM
CSc1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1C#N	ZINC001364057121	962382266	/nfs/dbraw/zinc/38/22/66/962382266.db2.gz	RSXKXLYEKJQORM-UHFFFAOYSA-N	-1	0	319.346	0.599	20	30		DCEDRM
CCOC(=O)c1n[nH]c(CNC(=O)c2ccc(C#N)cc2F)n1	ZINC001364083621	962435831	/nfs/dbraw/zinc/43/58/31/962435831.db2.gz	LOPJNQRWYNKGCP-UHFFFAOYSA-N	-1	0	317.280	0.922	20	30		DCEDRM
C[C@@H]1CCC[C@H]1CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364106837	962482820	/nfs/dbraw/zinc/48/28/20/962482820.db2.gz	HWXFOENQUSYKQV-MNOVXSKESA-N	-1	0	304.350	0.763	20	30		DCEDRM
Cc1sccc1CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364110221	962490197	/nfs/dbraw/zinc/49/01/97/962490197.db2.gz	WYZJAMSHZPZGIM-UHFFFAOYSA-N	-1	0	318.358	0.549	20	30		DCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)Nc1ccccc1	ZINC001364165311	962592487	/nfs/dbraw/zinc/59/24/87/962592487.db2.gz	NMEDHVIFWSFXRP-VIFPVBQESA-N	-1	0	313.317	0.384	20	30		DCEDRM
Cn1c(=O)[n-]c(N2C[C@@H](O)C[C@@H]2c2ccccc2)c(C#N)c1=O	ZINC001364203666	962662196	/nfs/dbraw/zinc/66/21/96/962662196.db2.gz	OHRXCBFAIKTBAT-WCQYABFASA-N	-1	0	312.329	0.258	20	30		DCEDRM
C=C(Br)CN(C)[C@@H]1CCN(C(=O)CNC(=O)[O-])C1	ZINC001573313641	962734268	/nfs/dbraw/zinc/73/42/68/962734268.db2.gz	NPMHRMBJPIXFHC-SECBINFHSA-N	-1	0	320.187	0.695	20	30		DCEDRM
COC(=O)c1ccc(Cl)c(Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001364278230	962804540	/nfs/dbraw/zinc/80/45/40/962804540.db2.gz	IEEWYAYVMDYVDQ-UHFFFAOYSA-N	-1	0	319.704	0.897	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2cccc(OC(F)F)c2)c1=O	ZINC001364290437	962832996	/nfs/dbraw/zinc/83/29/96/962832996.db2.gz	SLZZQDBQXGYHOE-UHFFFAOYSA-N	-1	0	321.239	0.893	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@@H](CNC(=O)CNC(=O)[O-])C(C)C)C1	ZINC001573344126	962912558	/nfs/dbraw/zinc/91/25/58/962912558.db2.gz	OXKDMLFKLBUIGY-NSHDSACASA-N	-1	0	311.382	0.867	20	30		DCEDRM
C=C[C@@H](C(=O)NC[C@@H](C)NC(=O)CNC(=O)[O-])c1ccccc1	ZINC001573344994	962922798	/nfs/dbraw/zinc/92/27/98/962922798.db2.gz	CSQXCPIZWJGJNZ-DGCLKSJQSA-N	-1	0	319.361	0.845	20	30		DCEDRM
C=CCCC(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C2	ZINC001573353379	963000538	/nfs/dbraw/zinc/00/05/38/963000538.db2.gz	UEYGDVFNCIFCEE-NWDGAFQWSA-N	-1	0	306.362	0.734	20	30		DCEDRM
C=CCCC1(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CC1	ZINC001573357439	963017437	/nfs/dbraw/zinc/01/74/37/963017437.db2.gz	NZSLYDHLTJSCNW-NWDGAFQWSA-N	-1	0	306.362	0.781	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H](C)[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001573368647	963084296	/nfs/dbraw/zinc/08/42/96/963084296.db2.gz	ISCGTLMZAJPMAX-ZYHUDNBSSA-N	-1	0	320.349	0.636	20	30		DCEDRM
C=C(Br)Cn1nnnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588439225	964028546	/nfs/dbraw/zinc/02/85/46/964028546.db2.gz	KLHMURUDROXNAJ-ZETCQYMHSA-N	-1	0	302.132	0.493	20	30		DCEDRM
C#CCCCCNC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001588442673	964058970	/nfs/dbraw/zinc/05/89/70/964058970.db2.gz	VSGSMHKKBRWESI-INIZCTEOSA-N	-1	0	323.393	0.361	20	30		DCEDRM
C=C(C)Cn1c(C[S@@](C)=O)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588443414	964061805	/nfs/dbraw/zinc/06/18/05/964061805.db2.gz	PVHLFZLGNUNOES-LADRHHBVSA-N	-1	0	312.395	0.644	20	30		DCEDRM
C[C@@H](NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CCC1	ZINC001369215119	964537130	/nfs/dbraw/zinc/53/71/30/964537130.db2.gz	ZGMQKPRZLJNOEE-SECBINFHSA-N	-1	0	305.338	0.308	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(C)=O)c(F)c1	ZINC001588426298	969881661	/nfs/dbraw/zinc/88/16/61/969881661.db2.gz	GLJHAEPIJZUMSB-UHFFFAOYSA-N	-1	0	313.306	0.737	20	30		DCEDRM
N#Cc1cccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC001608217686	970403906	/nfs/dbraw/zinc/40/39/06/970403906.db2.gz	OMGLCRKAMOVBEO-LBPRGKRZSA-N	-1	0	301.302	0.108	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001605102260	972759726	/nfs/dbraw/zinc/75/97/26/972759726.db2.gz	RJHCGRKNDCBGED-GFCCVEGCSA-N	-1	0	302.286	0.709	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC(C)(C#N)CC2)C1	ZINC001603355068	972795681	/nfs/dbraw/zinc/79/56/81/972795681.db2.gz	MVTNJKWRQRNKDC-NWDGAFQWSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C[C@@H]1CCN(C(=O)CNc2ccc(C#N)cn2)C[C@H]1C(=O)[O-]	ZINC001603417474	973128294	/nfs/dbraw/zinc/12/82/94/973128294.db2.gz	RYOCDOFTCZWZDJ-ZYHUDNBSSA-N	-1	0	302.334	0.934	20	30		DCEDRM
COC(=O)c1csc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001604411169	973169962	/nfs/dbraw/zinc/16/99/62/973169962.db2.gz	RQOPAVRURMIECX-GFCCVEGCSA-N	-1	0	312.303	0.977	20	30		DCEDRM
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)COCC(=O)[O-]	ZINC001605367257	973307171	/nfs/dbraw/zinc/30/71/71/973307171.db2.gz	NAJKVWOYBFTNBA-UHFFFAOYSA-N	-1	0	315.289	0.487	20	30		DCEDRM
O=C([O-])CN1CCCC[C@H](NC(=O)C#Cc2ccccc2)C1=O	ZINC001606256785	973595957	/nfs/dbraw/zinc/59/59/57/973595957.db2.gz	ADECNYQGXWTHSQ-AWEZNQCLSA-N	-1	0	314.341	0.620	20	30		DCEDRM
N#CCCN(C(=O)COCC(=O)[O-])c1ccc2c(c1)OCCO2	ZINC001605581674	973859607	/nfs/dbraw/zinc/85/96/07/973859607.db2.gz	GTBYVOKDHAZDIF-UHFFFAOYSA-N	-1	0	320.301	0.806	20	30		DCEDRM
N#Cc1cc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)ccc1F	ZINC001605591895	973890620	/nfs/dbraw/zinc/89/06/20/973890620.db2.gz	HDZJOOHHMINQLH-NSHDSACASA-N	-1	0	306.249	0.540	20	30		DCEDRM
N#Cc1cc(C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)c[nH]1	ZINC001605591988	973892062	/nfs/dbraw/zinc/89/20/62/973892062.db2.gz	MGJWKEYJUAVIBX-UHFFFAOYSA-N	-1	0	301.262	0.564	20	30		DCEDRM
N#Cc1cc(CNC(=O)C2(CC(=O)[O-])CCOCC2)ccn1	ZINC001605592054	973893092	/nfs/dbraw/zinc/89/30/92/973893092.db2.gz	QMFPADBNUHWATF-UHFFFAOYSA-N	-1	0	303.318	0.841	20	30		DCEDRM
N#CCc1cccc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)c1	ZINC001605601562	973905278	/nfs/dbraw/zinc/90/52/78/973905278.db2.gz	SLGXTUUUJYNKCX-GFCCVEGCSA-N	-1	0	302.286	0.595	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CNc2ccn(CC(=O)[O-])n2)cc1	ZINC001605602066	973910227	/nfs/dbraw/zinc/91/02/27/973910227.db2.gz	OXTQLRCEPNHHHL-UHFFFAOYSA-N	-1	0	313.317	0.568	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)NCCC(=O)[O-])CC2)cn1	ZINC001605611292	973917042	/nfs/dbraw/zinc/91/70/42/973917042.db2.gz	QHCIWCWVYWLZEG-UHFFFAOYSA-N	-1	0	303.322	0.260	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)NCc2cccc(C(=O)[O-])c2)n1	ZINC001605626906	973960982	/nfs/dbraw/zinc/96/09/82/973960982.db2.gz	RIAXRNWWRHGHLM-UHFFFAOYSA-N	-1	0	314.305	0.347	20	30		DCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC001592834228	979574340	/nfs/dbraw/zinc/57/43/40/979574340.db2.gz	NMGRFEUISLQERG-BDJLRTHQSA-N	-1	0	302.330	0.785	20	30		DCEDRM
C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001593004028	980220877	/nfs/dbraw/zinc/22/08/77/980220877.db2.gz	XWFSEWWVELEXLF-LLVKDONJSA-N	-1	0	321.377	0.898	20	30		DCEDRM
CCC1=C(C(=O)C(=O)[O-])[C@@H](c2cn(CC)nn2)NC(=S)N1	ZINC001595398425	980968874	/nfs/dbraw/zinc/96/88/74/980968874.db2.gz	DSZFNFSUVGSSOJ-SECBINFHSA-N	-1	0	309.351	0.135	20	30		DCEDRM
CCCCC[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)[O-]	ZINC001595683362	982171531	/nfs/dbraw/zinc/17/15/31/982171531.db2.gz	PRXRHFOLUQCLQL-MNOVXSKESA-N	-1	0	319.383	0.079	20	30		DCEDRM
COCc1nn(C)cc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC001524104602	1014854637	/nfs/dbraw/zinc/85/46/37/1014854637.db2.gz	HHZIPZGNNIDYFG-LLVKDONJSA-N	-1	0	304.350	0.948	20	30		DCEDRM
CCCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1nccnc1C#N	ZINC001595882329	982894440	/nfs/dbraw/zinc/89/44/40/982894440.db2.gz	GOHAVNCENLLCFT-QWRGUYRKSA-N	-1	0	317.349	0.402	20	30		DCEDRM
C#CC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001588367063	983296610	/nfs/dbraw/zinc/29/66/10/983296610.db2.gz	HUNUAXUATKEQIM-UHFFFAOYSA-N	-1	0	312.303	0.983	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC001588369111	983311003	/nfs/dbraw/zinc/31/10/03/983311003.db2.gz	BIEHRVLNLIDURR-JTQLQIEISA-N	-1	0	306.293	0.919	20	30		DCEDRM
C#C[C@H](CO)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1	ZINC001588370379	983318482	/nfs/dbraw/zinc/31/84/82/983318482.db2.gz	BKYQYDVYVIOICS-MRVPVSSYSA-N	-1	0	312.709	0.919	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1	ZINC001588370649	983320687	/nfs/dbraw/zinc/32/06/87/983320687.db2.gz	JSLMWAOPAPPJNO-BDAKNGLRSA-N	-1	0	310.281	0.793	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1)C(C)(C)C	ZINC001588370830	983322644	/nfs/dbraw/zinc/32/26/44/983322644.db2.gz	OICMGSYWJSJDKT-SNVBAGLBSA-N	-1	0	303.318	0.882	20	30		DCEDRM
C#C[C@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)[C@H]1CCCO1	ZINC001588373742	983339827	/nfs/dbraw/zinc/33/98/27/983339827.db2.gz	JKGBDOVNMPMEHU-IZMFDJJNSA-N	-1	0	306.362	0.966	20	30		DCEDRM
C#CC1(O)CN(Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C1	ZINC001588382064	983367948	/nfs/dbraw/zinc/36/79/48/983367948.db2.gz	FOISKVPFJSGLCP-UHFFFAOYSA-N	-1	0	319.342	0.171	20	30		DCEDRM
C#CC1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)CC1	ZINC001588383394	983380890	/nfs/dbraw/zinc/38/08/90/983380890.db2.gz	YJUHYAKOMGAVBY-UHFFFAOYSA-N	-1	0	301.302	0.590	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC001588384091	983386813	/nfs/dbraw/zinc/38/68/13/983386813.db2.gz	VFYQFCUGPCRPPU-LLVKDONJSA-N	-1	0	309.343	0.716	20	30		DCEDRM
C#CC[C@@H](CCOC)NS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588395218	983404886	/nfs/dbraw/zinc/40/48/86/983404886.db2.gz	RDEYAGXZAULVDL-JTQLQIEISA-N	-1	0	312.347	0.487	20	30		DCEDRM
C#CC[C@H](CCOC)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC001588395891	983406811	/nfs/dbraw/zinc/40/68/11/983406811.db2.gz	VFWZDOPRJISCPY-SNVBAGLBSA-N	-1	0	315.347	0.993	20	30		DCEDRM
C#CC[C@H](NC(=O)CN(CC#C)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588404998	983420007	/nfs/dbraw/zinc/42/00/07/983420007.db2.gz	JKBFRKXIVYQQQE-NSHDSACASA-N	-1	0	308.334	0.449	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001588433939	983468633	/nfs/dbraw/zinc/46/86/33/983468633.db2.gz	DAXRVQGTDQZWIR-LBPRGKRZSA-N	-1	0	318.329	0.522	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC001588434631	983471262	/nfs/dbraw/zinc/47/12/62/983471262.db2.gz	PDNCDKTWESXHFT-SECBINFHSA-N	-1	0	324.358	0.584	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC001588461678	983490922	/nfs/dbraw/zinc/49/09/22/983490922.db2.gz	WYWOSBTXLAVKGU-ZDUSSCGKSA-N	-1	0	300.314	0.289	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588464876	983495040	/nfs/dbraw/zinc/49/50/40/983495040.db2.gz	RLROZMFBJBFFMD-UHFFFAOYSA-N	-1	0	302.261	0.557	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)c2ccc(C(=O)[O-])n2C)CC1	ZINC001588479333	983518813	/nfs/dbraw/zinc/51/88/13/983518813.db2.gz	JNOWOERSBJGCNF-UHFFFAOYSA-N	-1	0	317.345	0.325	20	30		DCEDRM
C#CCOCCC(=O)N(C)CCNc1ncc(C(=O)[O-])cn1	ZINC001588490569	983532902	/nfs/dbraw/zinc/53/29/02/983532902.db2.gz	PSEBWZWGNGDLLA-UHFFFAOYSA-N	-1	0	306.322	0.085	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N(C)CCCNc1ncc(C(=O)[O-])cn1	ZINC001588490801	983534022	/nfs/dbraw/zinc/53/40/22/983534022.db2.gz	YPFGZAMGPDTCCD-NSHDSACASA-N	-1	0	320.349	0.474	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC001588491591	983537055	/nfs/dbraw/zinc/53/70/55/983537055.db2.gz	QIXHKSXAWUVEGO-UHFFFAOYSA-N	-1	0	311.359	0.964	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1	ZINC001588511070	983558337	/nfs/dbraw/zinc/55/83/37/983558337.db2.gz	PQNLUKJZGPXIEB-BLLLJJGKSA-N	-1	0	300.314	0.626	20	30		DCEDRM
C#Cc1ccc(C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)nc1	ZINC001588516288	983560530	/nfs/dbraw/zinc/56/05/30/983560530.db2.gz	GATOFRMDXYDSNK-ZDUSSCGKSA-N	-1	0	304.302	0.445	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)cc1	ZINC001588516786	983562351	/nfs/dbraw/zinc/56/23/51/983562351.db2.gz	BRTLIDVAJIULRV-MRXNPFEDSA-N	-1	0	316.313	0.309	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cc1	ZINC001588517598	983565719	/nfs/dbraw/zinc/56/57/19/983565719.db2.gz	WTLLQSGMHVNNIG-QWHCGFSZSA-N	-1	0	316.313	0.043	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-]	ZINC001588537350	983599404	/nfs/dbraw/zinc/59/94/04/983599404.db2.gz	NHBGXMMULNBYBU-GXSJLCMTSA-N	-1	0	306.322	0.298	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)[O-]	ZINC001588542506	983608896	/nfs/dbraw/zinc/60/88/96/983608896.db2.gz	JGSYJVWLQFUTHH-GFCCVEGCSA-N	-1	0	306.318	0.658	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CNC(=O)c1cccc(O)c1)C(=O)[O-]	ZINC001588542870	983609990	/nfs/dbraw/zinc/60/99/90/983609990.db2.gz	SPEOWBLACJRGMM-GFCCVEGCSA-N	-1	0	306.318	0.658	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)[O-]	ZINC001588543078	983610704	/nfs/dbraw/zinc/61/07/04/983610704.db2.gz	WPJVSOKHLSNDII-BMIGLBTASA-N	-1	0	323.349	0.243	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(-n2cnnn2)cn1)C(=O)[O-]	ZINC001588546526	983615813	/nfs/dbraw/zinc/61/58/13/983615813.db2.gz	MVQXYFDUOHQFSO-LLVKDONJSA-N	-1	0	302.294	0.207	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001588546993	983617942	/nfs/dbraw/zinc/61/79/42/983617942.db2.gz	GQYKPXBHWSCHCH-NSHDSACASA-N	-1	0	308.338	0.686	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588599197	983688509	/nfs/dbraw/zinc/68/85/09/983688509.db2.gz	IJXVIRSKRFSKOW-NOOOWODRSA-N	-1	0	311.334	0.300	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@H](CO)C[C@@H](OCCOC)C1	ZINC001588612574	983703438	/nfs/dbraw/zinc/70/34/38/983703438.db2.gz	SMATZVZXPVHCPV-CHWSQXEVSA-N	-1	0	315.366	0.280	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CCC[C@@]1(COC)C(=O)[O-]	ZINC001596299875	983727343	/nfs/dbraw/zinc/72/73/43/983727343.db2.gz	HBYSVXXKEIBGJR-GFCCVEGCSA-N	-1	0	319.383	0.032	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1[nH]nc2cc(C)n(C)c(=O)c21	ZINC001588634273	983753016	/nfs/dbraw/zinc/75/30/16/983753016.db2.gz	ZWKGDJBZTIJFPR-UHFFFAOYSA-N	-1	0	304.306	0.930	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(CC(=O)Nc2ccccc2)CC1	ZINC001588669356	983811983	/nfs/dbraw/zinc/81/19/83/983811983.db2.gz	JRGBZSXZPKUOCA-AWEZNQCLSA-N	-1	0	303.362	0.882	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN(CC(=O)Nc2ccccc2)CC1	ZINC001588669357	983812119	/nfs/dbraw/zinc/81/21/19/983812119.db2.gz	JRGBZSXZPKUOCA-CQSZACIVSA-N	-1	0	303.362	0.882	20	30		DCEDRM
C=C[C@H](COC)NS(=O)(=O)c1ccc(OC)cc1C(=O)[O-]	ZINC001588692719	983885048	/nfs/dbraw/zinc/88/50/48/983885048.db2.gz	ISXLJZDWCFUALD-SECBINFHSA-N	-1	0	315.347	0.873	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1CCOC	ZINC001588704907	983925426	/nfs/dbraw/zinc/92/54/26/983925426.db2.gz	IUVMBZDZMGGSNQ-WOPDTQHZSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=C[C@H](O)C(=O)N[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O	ZINC001588705172	983925854	/nfs/dbraw/zinc/92/58/54/983925854.db2.gz	KUOOFSCSDIAVMD-NEPJUHHUSA-N	-1	0	304.302	0.301	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CCC[C@@](C)(C(=O)[O-])C2)n1CCOC	ZINC001588706255	983930229	/nfs/dbraw/zinc/93/02/29/983930229.db2.gz	XEGJPJAYAPZXCZ-XHDPSFHLSA-N	-1	0	324.381	0.835	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@](OC)(C(=O)[O-])C2)n1CC(=C)C	ZINC001588706399	983930902	/nfs/dbraw/zinc/93/09/02/983930902.db2.gz	YWTHXHDLKDTEMR-NHYWBVRUSA-N	-1	0	322.365	0.754	20	30		DCEDRM
C=CC[C@@H](OC(=O)c1cnc2c(c1)NC(=O)CN2C)C(=O)[O-]	ZINC001588758240	984105535	/nfs/dbraw/zinc/10/55/35/984105535.db2.gz	FGDHTGHECPPXQR-SNVBAGLBSA-N	-1	0	305.290	0.656	20	30		DCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1	ZINC001588773054	984146533	/nfs/dbraw/zinc/14/65/33/984146533.db2.gz	VMOOCMOHJWFFHO-RWMBFGLXSA-N	-1	0	308.378	0.980	20	30		DCEDRM
C=CCCC(=O)N1CC=C(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588774120	984151416	/nfs/dbraw/zinc/15/14/16/984151416.db2.gz	UCAOXLQOJAUOHY-STQMWFEESA-N	-1	0	306.362	0.948	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OCC	ZINC001588779102	984164706	/nfs/dbraw/zinc/16/47/06/984164706.db2.gz	SOFMDYKBFLGAPB-JTQLQIEISA-N	-1	0	321.395	0.915	20	30		DCEDRM
C=CCCC[C@H](NC(=O)CCSc1nnnn1C)C(=O)[O-]	ZINC001588788728	984192277	/nfs/dbraw/zinc/19/22/77/984192277.db2.gz	LKBBWQFYZFRPHW-VIFPVBQESA-N	-1	0	313.383	0.618	20	30		DCEDRM
C=CCCc1ccc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])cc1	ZINC001588814732	984272644	/nfs/dbraw/zinc/27/26/44/984272644.db2.gz	NXGVUHLXCFNTAO-LBPRGKRZSA-N	-1	0	313.375	0.919	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCCC[C@@]2(COC)C(=O)[O-])nn1	ZINC001588817797	984277885	/nfs/dbraw/zinc/27/78/85/984277885.db2.gz	VQNKJFLCEWDMMT-OAHLLOKOSA-N	-1	0	322.365	0.950	20	30		DCEDRM
C=CCN(CC(=O)OCC)S(=O)(=O)c1occc1C(=O)[O-]	ZINC001588823917	984294427	/nfs/dbraw/zinc/29/44/27/984294427.db2.gz	CLNVZKKACPMGOJ-UHFFFAOYSA-N	-1	0	317.319	0.718	20	30		DCEDRM
C=CCN(CC=C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001588825195	984299187	/nfs/dbraw/zinc/29/91/87/984299187.db2.gz	GCEODMAQFIBTDD-LRDDRELGSA-N	-1	0	306.362	0.900	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC001588844443	984358098	/nfs/dbraw/zinc/35/80/98/984358098.db2.gz	ZAUWDCCHWWQCMG-ZETCQYMHSA-N	-1	0	312.351	0.504	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2cncc(C(=O)[O-])c2)CC1	ZINC001588844548	984358853	/nfs/dbraw/zinc/35/88/53/984358853.db2.gz	MCWVVIOQEQCFDN-UHFFFAOYSA-N	-1	0	318.377	0.200	20	30		DCEDRM
C=CCOCC(=O)NC[C@@H]1CCCN1c1ncc(C(=O)[O-])cn1	ZINC001588851148	984382927	/nfs/dbraw/zinc/38/29/27/984382927.db2.gz	WNQFDJJOCNTOTB-LBPRGKRZSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCOCC(=O)NCC1=CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588851100	984383235	/nfs/dbraw/zinc/38/32/35/984383235.db2.gz	UGKOYYAYCCFXHB-OLZOCXBDSA-N	-1	0	322.361	0.185	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cncc(-n2ccnn2)c1)C(=O)[O-]	ZINC001588860296	984412202	/nfs/dbraw/zinc/41/22/02/984412202.db2.gz	PPUURXKAFNJTEW-LBPRGKRZSA-N	-1	0	317.305	0.048	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C)C(=O)[O-]	ZINC001588861397	984415421	/nfs/dbraw/zinc/41/54/21/984415421.db2.gz	HWESWMNIMZPCTC-LLVKDONJSA-N	-1	0	319.317	0.665	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)C(=O)OC	ZINC001588862294	984418406	/nfs/dbraw/zinc/41/84/06/984418406.db2.gz	VEDMILBKFRVOKQ-ZDUSSCGKSA-N	-1	0	321.329	0.788	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588878674	984454908	/nfs/dbraw/zinc/45/49/08/984454908.db2.gz	HJJQYIICYDHMNQ-GWCFXTLKSA-N	-1	0	318.395	0.339	20	30		DCEDRM
C=CCSCCNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588879878	984460021	/nfs/dbraw/zinc/46/00/21/984460021.db2.gz	WPEMDOUOYQJDRQ-ZDUSSCGKSA-N	-1	0	313.379	0.921	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588901203	984523666	/nfs/dbraw/zinc/52/36/66/984523666.db2.gz	RILIETLQFOPHHF-IJLUTSLNSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC001588916758	984563553	/nfs/dbraw/zinc/56/35/53/984563553.db2.gz	CVWMKJOEDQQAIB-KKOKHZNYSA-N	-1	0	311.334	0.442	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588917790	984567021	/nfs/dbraw/zinc/56/70/21/984567021.db2.gz	AAGMYLBDKOPHQH-RWMBFGLXSA-N	-1	0	312.366	0.445	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001588925816	984588829	/nfs/dbraw/zinc/58/88/29/984588829.db2.gz	XDIXRDYYZTVOFU-LBPRGKRZSA-N	-1	0	317.407	0.715	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC001588925900	984590027	/nfs/dbraw/zinc/59/00/27/984590027.db2.gz	ZRGPIPIOSQGFDZ-JTQLQIEISA-N	-1	0	315.322	0.577	20	30		DCEDRM
CC#CC(=O)N1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1	ZINC001588926316	984593160	/nfs/dbraw/zinc/59/31/60/984593160.db2.gz	RMIIFLPSSZTRKG-LLVKDONJSA-N	-1	0	322.361	0.790	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	ZINC001588930866	984600115	/nfs/dbraw/zinc/60/01/15/984600115.db2.gz	DBFLDDWAVXNTMS-MLGOLLRUSA-N	-1	0	306.362	0.572	20	30		DCEDRM
C[C@H]1CN(C(=O)NCC#Cc2ccccc2)C[C@@H](C(=O)[O-])O1	ZINC001599919021	985103148	/nfs/dbraw/zinc/10/31/48/985103148.db2.gz	FHOVIRCXWWHDHO-JSGCOSHPSA-N	-1	0	302.330	0.922	20	30		DCEDRM
CC(=O)N1CC(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001589056826	985167182	/nfs/dbraw/zinc/16/71/82/985167182.db2.gz	IZIRIUSBDAWJIP-CYBMUJFWSA-N	-1	0	302.286	0.705	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001589329552	986164634	/nfs/dbraw/zinc/16/46/34/986164634.db2.gz	PKMGZVNXZYHNAC-JTQLQIEISA-N	-1	0	319.317	0.707	20	30		DCEDRM
C[C@H](C(=O)Nc1cccc(C(=O)[O-])c1N)n1cnc(C#N)n1	ZINC001589438839	986767711	/nfs/dbraw/zinc/76/77/11/986767711.db2.gz	BWILRPOIOFKNSR-SSDOTTSWSA-N	-1	0	300.278	0.630	20	30		DCEDRM
C[C@@H](C(=O)Nc1sccc1C(N)=O)N(CC#N)CCC(=O)[O-]	ZINC001589449108	986835966	/nfs/dbraw/zinc/83/59/66/986835966.db2.gz	ZNURMBWCZJXJCK-QMMMGPOBSA-N	-1	0	324.362	0.474	20	30		DCEDRM
CC[C@@H](C#N)C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC001594722939	987217416	/nfs/dbraw/zinc/21/74/16/987217416.db2.gz	XUSDITGZXBPOHO-JTQLQIEISA-N	-1	0	303.322	0.373	20	30		DCEDRM
CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCC(=O)NCC#N)C1	ZINC001589610855	987459385	/nfs/dbraw/zinc/45/93/85/987459385.db2.gz	WWCIPPYVYRBWFD-SNVBAGLBSA-N	-1	0	310.354	0.159	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001387221818	987715688	/nfs/dbraw/zinc/71/56/88/987715688.db2.gz	AIELIWWIJCOJRT-WPRPVWTQSA-N	-1	0	305.338	0.162	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)NC[C@H]2CCCN(CC#N)C2)O[C@H]1C(=O)[O-]	ZINC001599875248	989409166	/nfs/dbraw/zinc/40/91/66/989409166.db2.gz	PHNJPBKQPNSUHB-FDYHWXHSSA-N	-1	0	309.366	0.216	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)C#CC(C)C)c1[O-]	ZINC001532953653	1015476869	/nfs/dbraw/zinc/47/68/69/1015476869.db2.gz	XQLLDSIFSTUSCK-UHFFFAOYSA-N	-1	0	306.366	0.614	20	30		DCEDRM
CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)CSCC#N	ZINC001590341220	989786082	/nfs/dbraw/zinc/78/60/82/989786082.db2.gz	LFGLYJBBJSKOSC-VIFPVBQESA-N	-1	0	316.379	0.934	20	30		DCEDRM
CC(C)(CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)C(=O)[O-]	ZINC001590702739	990429704	/nfs/dbraw/zinc/42/97/04/990429704.db2.gz	OOVBBQJRPIKEFQ-UHFFFAOYSA-N	-1	0	315.329	0.674	20	30		DCEDRM
CC(C)(CNc1ccc(C(=O)[O-])nc1C#N)CS(N)(=O)=O	ZINC001590774413	990578164	/nfs/dbraw/zinc/57/81/64/990578164.db2.gz	WFIFVTQQHRNHOH-UHFFFAOYSA-N	-1	0	312.351	0.378	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001590927016	990930019	/nfs/dbraw/zinc/93/00/19/990930019.db2.gz	OXJUMNPYCAFCCQ-KBPBESRZSA-N	-1	0	320.389	0.721	20	30		DCEDRM
CC(C)C#CC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001590927097	990930716	/nfs/dbraw/zinc/93/07/16/990930716.db2.gz	RJPAGVLMNYLEBA-NSHDSACASA-N	-1	0	302.334	0.269	20	30		DCEDRM
CC(C)C#CC(=O)N(C)[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001590927339	990933430	/nfs/dbraw/zinc/93/34/30/990933430.db2.gz	ZXHTZXBZEZXYLV-ZDUSSCGKSA-N	-1	0	316.361	0.871	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccnc(C(=O)[O-])c1	ZINC001590961217	991057002	/nfs/dbraw/zinc/05/70/02/991057002.db2.gz	OOCFVYTYMRYCPG-HNNXBMFYSA-N	-1	0	319.317	0.991	20	30		DCEDRM
CN(C)c1cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)ncn1	ZINC001598307543	991273964	/nfs/dbraw/zinc/27/39/64/991273964.db2.gz	XZVNEWBOJQIPRA-UHFFFAOYSA-N	-1	0	318.337	0.765	20	30		DCEDRM
CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cccc(F)c1C#N	ZINC001598489820	992270171	/nfs/dbraw/zinc/27/01/71/992270171.db2.gz	AFBQZXKVUNVTRE-UWVGGRQHSA-N	-1	0	305.309	0.970	20	30		DCEDRM
COc1cccc(S(=O)(=O)N(CC#N)CCC(=O)[O-])c1F	ZINC001599680880	994979404	/nfs/dbraw/zinc/97/94/04/994979404.db2.gz	CMDLXIISOWPJCQ-UHFFFAOYSA-N	-1	0	316.310	0.823	20	30		DCEDRM
C[C@](O)(CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C(=O)[O-]	ZINC001593399575	995155550	/nfs/dbraw/zinc/15/55/50/995155550.db2.gz	VBFJQBQVFPMTER-BBRMVZONSA-N	-1	0	317.345	0.479	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C#N)o1	ZINC001598773085	995902619	/nfs/dbraw/zinc/90/26/19/995902619.db2.gz	XWJWBTGROWSRDD-WPRPVWTQSA-N	-1	0	306.274	0.630	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@@H]1C(=O)[O-]	ZINC001598806011	996187770	/nfs/dbraw/zinc/18/77/70/996187770.db2.gz	GJLQVVJBPNMYJH-QWRGUYRKSA-N	-1	0	308.334	0.793	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2cccc(F)c2C#N)C[C@@H]1C(=O)[O-]	ZINC001598820808	996324038	/nfs/dbraw/zinc/32/40/38/996324038.db2.gz	IEXLCWLPFNUPDN-QWRGUYRKSA-N	-1	0	320.276	0.643	20	30		DCEDRM
C[C@@]1(C#N)CN(C(=O)NCc2ncc(C(=O)[O-])s2)CCO1	ZINC001593743521	996368871	/nfs/dbraw/zinc/36/88/71/996368871.db2.gz	RQTQXKKLLOSHJM-GFCCVEGCSA-N	-1	0	310.335	0.665	20	30		DCEDRM
COC(=O)[C@H]1CN(c2cc(C#N)nc(C3CC3)n2)C[C@@H]1C(=O)[O-]	ZINC001598826573	996389280	/nfs/dbraw/zinc/38/92/80/996389280.db2.gz	JCZFZOGZAHMXIT-QWRGUYRKSA-N	-1	0	316.317	0.536	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)/C=C/C(=O)c1ccc(C)cc1	ZINC001598861167	996675772	/nfs/dbraw/zinc/67/57/72/996675772.db2.gz	YWJRVNNGTSMEDI-BQYQJAHWSA-N	-1	0	319.313	0.820	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)C1	ZINC001599077447	996907986	/nfs/dbraw/zinc/90/79/86/996907986.db2.gz	JZSNISOKCMOAAD-CYBMUJFWSA-N	-1	0	306.278	0.729	20	30		DCEDRM
COC(=O)c1cc(C#N)c(=O)n(Cc2ccc(C(=O)[O-])o2)c1	ZINC001598918237	997516477	/nfs/dbraw/zinc/51/64/77/997516477.db2.gz	COGPDRRLWLIYHX-UHFFFAOYSA-N	-1	0	302.242	0.846	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@]12CCOC2=O	ZINC001467301092	1016153941	/nfs/dbraw/zinc/15/39/41/1016153941.db2.gz	FBBWBASTNKZERK-HNNXBMFYSA-N	-1	0	301.302	0.889	20	30		DCEDRM
COCCCNC(=S)NN=Cc1cccn1[C@@H](C)C(=O)[O-]	ZINC001599227637	997788469	/nfs/dbraw/zinc/78/84/69/997788469.db2.gz	YEISSAJOAVTUFO-JTQLQIEISA-N	-1	0	312.395	0.968	20	30		DCEDRM
N#C[C@]1(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)CCCOC1	ZINC001467398964	1016163022	/nfs/dbraw/zinc/16/30/22/1016163022.db2.gz	NXDONLSWYRNWIZ-QMTHXVAHSA-N	-1	0	306.322	0.802	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001599235802	997942876	/nfs/dbraw/zinc/94/28/76/997942876.db2.gz	RKWWGSOGPCYRDT-UHFFFAOYSA-N	-1	0	313.335	0.331	20	30		DCEDRM
COc1cc(C#N)ccc1CN1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC001599347734	998039434	/nfs/dbraw/zinc/03/94/34/998039434.db2.gz	JXNQOTJHWJFAHZ-GFCCVEGCSA-N	-1	0	303.318	0.342	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)/C=C\C(=O)[O-]	ZINC001599350386	998083239	/nfs/dbraw/zinc/08/32/39/998083239.db2.gz	OMHUREKNRFYYIM-RWIWAZIYSA-N	-1	0	310.331	0.874	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C#N)cc1	ZINC001594139613	998425422	/nfs/dbraw/zinc/42/54/22/998425422.db2.gz	BVUOKHOZDWWBSO-ZWNOBZJWSA-N	-1	0	315.329	0.496	20	30		DCEDRM
COC(=O)c1cccc([C@@H](C(=O)[O-])N2CC[C@](O)(CC#N)C2)c1	ZINC001598997179	998790617	/nfs/dbraw/zinc/79/06/17/998790617.db2.gz	RCLIHJIERRLEAI-XJKSGUPXSA-N	-1	0	318.329	0.949	20	30		DCEDRM
C=CCCOCC(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001505466367	1016262400	/nfs/dbraw/zinc/26/24/00/1016262400.db2.gz	XKFGWOZCZOKGLP-LBPRGKRZSA-N	-1	0	323.397	0.526	20	30		DCEDRM
COC(CN(CCC(=O)[O-])C(=O)c1ccc(C#N)cn1)OC	ZINC001599046176	999152174	/nfs/dbraw/zinc/15/21/74/999152174.db2.gz	BNOFXULNCFWAQN-UHFFFAOYSA-N	-1	0	307.306	0.489	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC3(C2)CNC(=O)O3)cc1C#N	ZINC001469206925	1016321830	/nfs/dbraw/zinc/32/18/30/1016321830.db2.gz	XODJUQVWDYDALG-UHFFFAOYSA-N	-1	0	320.330	0.315	20	30		DCEDRM
C[C@@H]1C[C@@H]1c1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n[nH]1	ZINC001469428597	1016333847	/nfs/dbraw/zinc/33/38/47/1016333847.db2.gz	LFIBFLYCMOJSII-APPZFPTMSA-N	-1	0	314.305	0.306	20	30		DCEDRM
C[C@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccn1	ZINC001418427329	1000212394	/nfs/dbraw/zinc/21/23/94/1000212394.db2.gz	PELPOEMSTKXYQQ-SNVBAGLBSA-N	-1	0	313.317	0.135	20	30		DCEDRM
CCc1cccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001418536228	1000324338	/nfs/dbraw/zinc/32/43/38/1000324338.db2.gz	KBSOPGQXEZVENS-UHFFFAOYSA-N	-1	0	313.317	0.208	20	30		DCEDRM
CC1(C)CC[C@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001470361028	1016425193	/nfs/dbraw/zinc/42/51/93/1016425193.db2.gz	NRQDQIVIYHPXCK-JTQLQIEISA-N	-1	0	304.350	0.763	20	30		DCEDRM
CC1(C)CC[C@@H](CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)OC1	ZINC001419093353	1000762004	/nfs/dbraw/zinc/76/20/04/1000762004.db2.gz	QXRLHCTUFKSCGY-NSHDSACASA-N	-1	0	320.349	0.142	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC[C@H]2CCSC2)c(=O)[n-]c1=O	ZINC001471168236	1016541787	/nfs/dbraw/zinc/54/17/87/1016541787.db2.gz	QPCMADJUAPPZHE-JTQLQIEISA-N	-1	0	322.390	0.470	20	30		DCEDRM
CC1(C)C[C@@]1(C)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001471618532	1016606966	/nfs/dbraw/zinc/60/69/66/1016606966.db2.gz	AVOSEOXDSRAEJS-HNNXBMFYSA-N	-1	0	304.350	0.763	20	30		DCEDRM
N#CCOc1cccc(CC(=O)NC2(c3nnn[n-]3)CCC2)c1	ZINC001471660110	1016629863	/nfs/dbraw/zinc/62/98/63/1016629863.db2.gz	YZBJBRSCDATFRY-UHFFFAOYSA-N	-1	0	312.333	0.840	20	30		DCEDRM
CN(C)C(=O)c1ccc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001421043146	1003263443	/nfs/dbraw/zinc/26/34/43/1003263443.db2.gz	XYZGJFARBOCOGN-UHFFFAOYSA-N	-1	0	314.301	0.439	20	30		DCEDRM
C=C(Cl)CN(C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001406650887	1003970707	/nfs/dbraw/zinc/97/07/07/1003970707.db2.gz	YYLHGDBUPUKAPD-SSDOTTSWSA-N	-1	0	301.734	0.085	20	30		DCEDRM
C[C@@H]1C[C@]2(CC[C@H](CNc3[n-]c(=O)n(C)c(=O)c3C#N)O2)CO1	ZINC001472879804	1016867424	/nfs/dbraw/zinc/86/74/24/1016867424.db2.gz	JXDBQQWSDVDJLY-IQMDTDKHSA-N	-1	0	320.349	0.084	20	30		DCEDRM
C[C@H](C#N)C(=O)NCCN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001429455491	1004609485	/nfs/dbraw/zinc/60/94/85/1004609485.db2.gz	UKYVCDVGMASIFH-MRVPVSSYSA-N	-1	0	317.305	0.276	20	30		DCEDRM
C[C@@H](NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C1(C)CC1	ZINC001413946965	1005230580	/nfs/dbraw/zinc/23/05/80/1005230580.db2.gz	MEWSHXYXXIZFCT-SECBINFHSA-N	-1	0	317.349	0.575	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](NC(=O)[C@H](C)C#N)C(C)C)c1[O-]	ZINC001416580743	1005714348	/nfs/dbraw/zinc/71/43/48/1005714348.db2.gz	QIKSTXTUKKNLSS-PSASIEDQSA-N	-1	0	307.354	0.454	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](NC(=O)[C@@H](C)C#N)C(C)C)c1[O-]	ZINC001416580751	1005714371	/nfs/dbraw/zinc/71/43/71/1005714371.db2.gz	QIKSTXTUKKNLSS-WCBMZHEXSA-N	-1	0	307.354	0.454	20	30		DCEDRM
Cc1csc(N(C)C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001417635552	1005856552	/nfs/dbraw/zinc/85/65/52/1005856552.db2.gz	YINWTCIOHILPRE-UHFFFAOYSA-N	-1	0	319.346	0.639	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC2CCSCC2)c(=O)[n-]c1=O	ZINC001417641194	1005858332	/nfs/dbraw/zinc/85/83/32/1005858332.db2.gz	VQYLDZVKSSILJU-UHFFFAOYSA-N	-1	0	322.390	0.470	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@H]2CCC[C@@H](F)C2)c(=O)[n-]c1=O	ZINC001418179995	1006134822	/nfs/dbraw/zinc/13/48/22/1006134822.db2.gz	ZHLZSESROOLRHY-MNOVXSKESA-N	-1	0	308.313	0.608	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](CNC(=O)[C@@H](C)C#N)[C@H](C)C2)c1[O-]	ZINC001453282610	1007378384	/nfs/dbraw/zinc/37/83/84/1007378384.db2.gz	FMJIFHAAOZCTHU-IQJOONFLSA-N	-1	0	319.365	0.408	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2nc3c(s2)CCC3)c(=O)[n-]c1=O	ZINC001440657147	1007943441	/nfs/dbraw/zinc/94/34/41/1007943441.db2.gz	BQLYZXWFQDKUMP-UHFFFAOYSA-N	-1	0	317.330	0.404	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C2CCC=CCC2)c(=O)[n-]c1=O	ZINC001453839298	1008752439	/nfs/dbraw/zinc/75/24/39/1008752439.db2.gz	HCPLVMYSADYILD-UHFFFAOYSA-N	-1	0	302.334	0.683	20	30		DCEDRM
N#Cc1cn(CCNC(=O)/C=C\C2CCCC2)c(=O)[n-]c1=O	ZINC001453845027	1008756671	/nfs/dbraw/zinc/75/66/71/1008756671.db2.gz	RWKZNHGOWUVEKU-WAYWQWQTSA-N	-1	0	302.334	0.683	20	30		DCEDRM
N#Cc1ccc(CCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1	ZINC001433524639	1008899114	/nfs/dbraw/zinc/89/91/14/1008899114.db2.gz	LGPDJIGHMROSJD-UHFFFAOYSA-N	-1	0	322.328	0.302	20	30		DCEDRM
N#Cc1ccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001433714820	1009110412	/nfs/dbraw/zinc/11/04/12/1009110412.db2.gz	CYKZENIXYLLSTC-UHFFFAOYSA-N	-1	0	309.285	0.009	20	30		DCEDRM
C[C@@H]1C[C@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H](C)O1	ZINC001434095281	1009556368	/nfs/dbraw/zinc/55/63/68/1009556368.db2.gz	HKJQURTZPHOHJA-OUAUKWLOSA-N	-1	0	320.349	0.140	20	30		DCEDRM
CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)c2coc(C#N)c2)n1	ZINC001434163963	1009626082	/nfs/dbraw/zinc/62/60/82/1009626082.db2.gz	ANYIBMKGPARYDX-SSDOTTSWSA-N	-1	0	303.278	0.937	20	30		DCEDRM
COC[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1nnn[n-]1	ZINC001455729905	1009934325	/nfs/dbraw/zinc/93/43/25/1009934325.db2.gz	OTOWYOOWEAYTMV-CHWSQXEVSA-N	-1	0	314.349	0.776	20	30		DCEDRM
C[C@H](CS(C)(=O)=O)N(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001434458468	1009976649	/nfs/dbraw/zinc/97/66/49/1009976649.db2.gz	OBHQYLJKBCBBMS-SECBINFHSA-N	-1	0	323.378	0.171	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)NCCc1nc(=O)o[n-]1	ZINC001434570821	1010104697	/nfs/dbraw/zinc/10/46/97/1010104697.db2.gz	ZODQUSFUYKMTMQ-UHFFFAOYSA-N	-1	0	308.319	0.064	20	30		DCEDRM
CC[C@](COC)([N-]S(=O)(=O)CC1(C#N)CC1)C(=O)OC	ZINC001434574236	1010109935	/nfs/dbraw/zinc/10/99/35/1010109935.db2.gz	MMXRLBAYCSFBFN-GFCCVEGCSA-N	-1	0	304.368	0.178	20	30		DCEDRM
C#CCOCCC(=O)Nc1ccc(OCc2nnn[n-]2)cc1	ZINC001444203323	1010904224	/nfs/dbraw/zinc/90/42/24/1010904224.db2.gz	ANKXXAJGHLWFST-UHFFFAOYSA-N	-1	0	301.306	0.757	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2([C@H]3CCCO3)CCC2)c(=O)[n-]c1=O	ZINC001457223872	1011613259	/nfs/dbraw/zinc/61/32/59/1011613259.db2.gz	XZCSENDCSQCDLE-LLVKDONJSA-N	-1	0	318.333	0.038	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)NCCSCc1ccccc1C#N	ZINC001563507999	1012507239	/nfs/dbraw/zinc/50/72/39/1012507239.db2.gz	VTHPNMOODRPGJS-UHFFFAOYSA-N	-1	0	322.390	0.768	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NCC2=CCCC2)c(=O)[n-]c1=O	ZINC001565100780	1012544476	/nfs/dbraw/zinc/54/44/76/1012544476.db2.gz	LNSBRBDVUXRPRF-UHFFFAOYSA-N	-1	0	303.322	0.230	20	30		DCEDRM
CCn1nnnc1NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001460035712	1012848960	/nfs/dbraw/zinc/84/89/60/1012848960.db2.gz	DQRUTRIKIREAPM-UHFFFAOYSA-N	-1	0	305.323	0.639	20	30		DCEDRM
C=C(C)CN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@@H]1CCOC1	ZINC001519618832	1017219362	/nfs/dbraw/zinc/21/93/62/1017219362.db2.gz	UUUSWONXDLNTCY-NSHDSACASA-N	-1	0	318.381	0.551	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001506737775	1017492328	/nfs/dbraw/zinc/49/23/28/1017492328.db2.gz	RZRCBRNDIUGESJ-MEBBXXQBSA-N	-1	0	323.397	0.164	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001506737773	1017493421	/nfs/dbraw/zinc/49/34/21/1017493421.db2.gz	RZRCBRNDIUGESJ-BONVTDFDSA-N	-1	0	323.397	0.164	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001479801921	1017789994	/nfs/dbraw/zinc/78/99/94/1017789994.db2.gz	FWGHTDVJIPCEEZ-AAEUAGOBSA-N	-1	0	323.397	0.430	20	30		DCEDRM
CC#CCCCC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001493132550	1019128805	/nfs/dbraw/zinc/12/88/05/1019128805.db2.gz	WORLNRPQCTZFAC-GFCCVEGCSA-N	-1	0	305.382	0.785	20	30		DCEDRM
CN(CCCN(C)C(=O)c1cc(C#N)c[nH]1)Cc1n[nH]c(=O)[n-]1	ZINC001502170337	1019787472	/nfs/dbraw/zinc/78/74/72/1019787472.db2.gz	QRPNDLWKXVAGPB-UHFFFAOYSA-N	-1	0	317.353	0.304	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1	ZINC001609320643	1170933698	/nfs/dbraw/zinc/93/36/98/1170933698.db2.gz	VGTPOCCNEJGMLZ-VIFPVBQESA-N	-1	0	315.347	0.609	20	30		DCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001609329202	1170939838	/nfs/dbraw/zinc/93/98/38/1170939838.db2.gz	JRFJZTCLLTXYJD-QJPTWQEYSA-N	-1	0	312.366	0.141	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)CN2CCCCS2(=O)=O)c1	ZINC001633076640	1171632258	/nfs/dbraw/zinc/63/22/58/1171632258.db2.gz	DBCJZDVZCGUWDH-UHFFFAOYSA-N	-1	0	309.347	0.628	20	30		DCEDRM
COC[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)OC	ZINC000272669875	210074673	/nfs/dbraw/zinc/07/46/73/210074673.db2.gz	KFDYMUUMTFSDKC-SECBINFHSA-N	-1	0	320.317	0.776	20	30		DCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000172366358	198086273	/nfs/dbraw/zinc/08/62/73/198086273.db2.gz	LUVYDPLEHFQBAG-GFCCVEGCSA-N	-1	0	322.386	0.970	20	30		DCEDRM
CCOc1ccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cn1	ZINC000181056566	199246214	/nfs/dbraw/zinc/24/62/14/199246214.db2.gz	BPHRZHXWJZCNPH-UHFFFAOYSA-N	-1	0	307.335	0.886	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](CC)NC(=O)OC(C)(C)C	ZINC000494588642	241205216	/nfs/dbraw/zinc/20/52/16/241205216.db2.gz	DNICCRUENIVMPG-VIFPVBQESA-N	-1	0	306.384	0.922	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-]	ZINC000275315035	212266769	/nfs/dbraw/zinc/26/67/69/212266769.db2.gz	WYXWKRVXOPXDOC-QMMMGPOBSA-N	-1	0	309.294	0.456	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000273743680	211020581	/nfs/dbraw/zinc/02/05/81/211020581.db2.gz	UEFSZCJYXVSZRC-UHFFFAOYSA-N	-1	0	305.355	0.961	20	30		DCEDRM
C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)cc1)n1cnc(C#N)n1	ZINC000341191620	253355387	/nfs/dbraw/zinc/35/53/87/253355387.db2.gz	QGZUQOQVPFQXCN-MRVPVSSYSA-N	-1	0	309.293	0.530	20	30		DCEDRM
C[C@@H]1CCCN(S(=O)(=O)c2cccnc2C#N)[C@@H]1C(=O)[O-]	ZINC000235351926	296399607	/nfs/dbraw/zinc/39/96/07/296399607.db2.gz	UCOIDXLMIBUDQX-SKDRFNHKSA-N	-1	0	309.347	0.827	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cc1	ZINC000354104706	254481293	/nfs/dbraw/zinc/48/12/93/254481293.db2.gz	RLHYPKSQSOPCDU-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C=CCC[C@@H](NC(=O)Cn1nnnc1-c1ccsc1)C(=O)[O-]	ZINC000515654286	396508048	/nfs/dbraw/zinc/50/80/48/396508048.db2.gz	MAKJNSZUEZASBJ-SNVBAGLBSA-N	-1	0	321.362	0.937	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@@H](CCF)C(=O)[O-])cc1	ZINC000594574031	396487882	/nfs/dbraw/zinc/48/78/82/396487882.db2.gz	XILUPMFZYWQGHY-NSHDSACASA-N	-1	0	300.311	0.790	20	30		DCEDRM
C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1n[n-]c(=O)o1	ZINC000595547184	396628754	/nfs/dbraw/zinc/62/87/54/396628754.db2.gz	NHZRCPIBRGCALO-SNVBAGLBSA-N	-1	0	307.354	0.938	20	30		DCEDRM
Cn1c(=O)c(C#N)c(N2CCC[C@@H](CCC(=O)[O-])C2)n(C)c1=O	ZINC000595973645	396700920	/nfs/dbraw/zinc/70/09/20/396700920.db2.gz	GJAAPKMQWMGSIN-JTQLQIEISA-N	-1	0	320.349	0.037	20	30		DCEDRM
C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1	ZINC000595985576	396703428	/nfs/dbraw/zinc/70/34/28/396703428.db2.gz	DBBWPQAJDMZQQN-CQSZACIVSA-N	-1	0	307.350	0.462	20	30		DCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)nn1	ZINC000589593407	396719009	/nfs/dbraw/zinc/71/90/09/396719009.db2.gz	BGQWFAPMXNAGMK-UHFFFAOYSA-N	-1	0	319.302	0.331	20	30		DCEDRM
Cn1[n-]c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1=O	ZINC000596886835	396850306	/nfs/dbraw/zinc/85/03/06/396850306.db2.gz	RVKCZTQYHYASRK-UHFFFAOYSA-N	-1	0	312.333	0.355	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000591269285	396892478	/nfs/dbraw/zinc/89/24/78/396892478.db2.gz	CDDWWNZOPVLWGJ-CYBMUJFWSA-N	-1	0	319.317	0.432	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000591353170	396905891	/nfs/dbraw/zinc/90/58/91/396905891.db2.gz	UKIUOBZPAJIBLL-LBPRGKRZSA-N	-1	0	305.290	0.884	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2cnnn2C)c(C#N)cc1N(C)C	ZINC000600668592	396911408	/nfs/dbraw/zinc/91/14/08/396911408.db2.gz	NHMAOVAFZWRHIQ-UHFFFAOYSA-N	-1	0	320.378	0.862	20	30		DCEDRM
C=CCN(C(=O)[C@@H]1CCC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000634869841	396927019	/nfs/dbraw/zinc/92/70/19/396927019.db2.gz	UZKNEEAPLIEWMZ-IJLUTSLNSA-N	-1	0	315.391	0.689	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1	ZINC000591568459	396930146	/nfs/dbraw/zinc/93/01/46/396930146.db2.gz	GTGHPOQXYCLFKR-WBMJQRKESA-N	-1	0	321.377	0.852	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)[O-]	ZINC000630317223	396983577	/nfs/dbraw/zinc/98/35/77/396983577.db2.gz	MUZUHLMWZOJVBH-NSHDSACASA-N	-1	0	317.345	0.876	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1ccc(=O)n(CCOC)n1)C(=O)[O-]	ZINC000630318868	396984600	/nfs/dbraw/zinc/98/46/00/396984600.db2.gz	NOQXDNLPEPMCTD-NSHDSACASA-N	-1	0	309.322	0.039	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000592428565	397174197	/nfs/dbraw/zinc/17/41/97/397174197.db2.gz	AUVSBAWCKNWMQA-UHFFFAOYSA-N	-1	0	309.366	0.708	20	30		DCEDRM
CC(C)C[C@@H]1CCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602085010	397296071	/nfs/dbraw/zinc/29/60/71/397296071.db2.gz	DMQCNXJNMWSURZ-LBPRGKRZSA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC[C@@H]3CCC[C@@H]32)c(=O)[n-]c1=O	ZINC000602111908	397305930	/nfs/dbraw/zinc/30/59/30/397305930.db2.gz	WIIFHFUOYIREST-JQWIXIFHSA-N	-1	0	302.334	0.612	20	30		DCEDRM
CSC[C@@H]1CCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602121407	397310057	/nfs/dbraw/zinc/31/00/57/397310057.db2.gz	JXWUPSRZCNLHBN-JTQLQIEISA-N	-1	0	308.363	0.175	20	30		DCEDRM
CCCSC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000593254627	397341555	/nfs/dbraw/zinc/34/15/55/397341555.db2.gz	PQETUJZUEQFCJL-ZJUUUORDSA-N	-1	0	323.440	0.509	20	30		DCEDRM
CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000593269406	397345006	/nfs/dbraw/zinc/34/50/06/397345006.db2.gz	GEVIVZGSJBQESI-QWRGUYRKSA-N	-1	0	305.400	0.896	20	30		DCEDRM
CC[C@H]1[C@H](C)CCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602145337	397321195	/nfs/dbraw/zinc/32/11/95/397321195.db2.gz	UAPLXMPBTCPYMI-PWSUYJOCSA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N(CCO)CCC(=O)[O-])c1	ZINC000614376040	397429368	/nfs/dbraw/zinc/42/93/68/397429368.db2.gz	ZHYJBAMUBJDNMV-UHFFFAOYSA-N	-1	0	312.347	0.157	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)nn1	ZINC000425239565	397404880	/nfs/dbraw/zinc/40/48/80/397404880.db2.gz	KVDMTLLEBYAMQI-JQWIXIFHSA-N	-1	0	308.338	0.464	20	30		DCEDRM
C[C@@](CNC(=O)Cn1cnc(C#N)n1)(C(=O)[O-])c1ccccc1	ZINC000593921419	397481087	/nfs/dbraw/zinc/48/10/87/397481087.db2.gz	HWTDWFAWCBFRBM-HNNXBMFYSA-N	-1	0	313.317	0.308	20	30		DCEDRM
COC[C@@](C)(C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599674316	397502815	/nfs/dbraw/zinc/50/28/15/397502815.db2.gz	BWKLLQCGTFPQHI-GFCCVEGCSA-N	-1	0	312.351	0.112	20	30		DCEDRM
COCCN(CC#N)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000600003924	397561070	/nfs/dbraw/zinc/56/10/70/397561070.db2.gz	CYZXKIATEYRELY-UHFFFAOYSA-N	-1	0	312.351	0.065	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)NCC2(CC#N)CC2)CC[C@H]1C(=O)[O-]	ZINC000599940793	397546648	/nfs/dbraw/zinc/54/66/48/397546648.db2.gz	QZXVANACDDJIDS-WDEREUQCSA-N	-1	0	307.350	0.366	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)CC[C@H]1C(=O)[O-]	ZINC000599940779	397547096	/nfs/dbraw/zinc/54/70/96/397547096.db2.gz	QZFRIIZPMVRYIM-GHMZBOCLSA-N	-1	0	309.366	0.612	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)cn1	ZINC000604571118	397644190	/nfs/dbraw/zinc/64/41/90/397644190.db2.gz	XWSLYBOVSBTQBV-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)nc1	ZINC000609354432	397772508	/nfs/dbraw/zinc/77/25/08/397772508.db2.gz	JTYMMUHOXMLLET-ZDUSSCGKSA-N	-1	0	305.301	0.986	20	30		DCEDRM
CC(C)CN1N=C(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCC1=O	ZINC000138931317	158348023	/nfs/dbraw/zinc/34/80/23/158348023.db2.gz	KFNKIIAJEXKIOM-UHFFFAOYSA-N	-1	0	313.321	0.726	20	30		DCEDRM
CCO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1OCCOC	ZINC000276169369	415443424	/nfs/dbraw/zinc/44/34/24/415443424.db2.gz	QZIOYQICDPWDOT-UHFFFAOYSA-N	-1	0	307.306	0.590	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000085856398	415506066	/nfs/dbraw/zinc/50/60/66/415506066.db2.gz	IYFFHVRNKYQXBT-CYBMUJFWSA-N	-1	0	310.331	0.389	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)/N=c1/ccnc2n(C)[nH]cc1-2	ZINC000287782732	415673369	/nfs/dbraw/zinc/67/33/69/415673369.db2.gz	VPIVGURIALBVAK-WQRHYEAKSA-N	-1	0	319.390	0.316	20	30		DCEDRM
C[C@]1([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCOC1=O	ZINC000289501066	415709966	/nfs/dbraw/zinc/70/99/66/415709966.db2.gz	JWZKCQPTSALHHA-LBPRGKRZSA-N	-1	0	316.285	0.820	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1	ZINC000290483230	415812257	/nfs/dbraw/zinc/81/22/57/415812257.db2.gz	GEUBZOUBACWLNW-QMMMGPOBSA-N	-1	0	323.252	0.637	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C	ZINC000290952960	415825448	/nfs/dbraw/zinc/82/54/48/415825448.db2.gz	NFCGSGQXHAXJRB-LLVKDONJSA-N	-1	0	315.376	0.900	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2C[C@H](CO)OC[C@H]2C)cc1C#N	ZINC000344214267	415866747	/nfs/dbraw/zinc/86/67/47/415866747.db2.gz	LGRMLLOIODYJQO-PSASIEDQSA-N	-1	0	323.374	0.603	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cccc(-n3ccnn3)c2)[n-]c1C#N	ZINC000130018327	415914353	/nfs/dbraw/zinc/91/43/53/415914353.db2.gz	QCDNHSBMPAUBRB-UHFFFAOYSA-N	-1	0	304.273	0.986	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2ccc(C(=O)[O-])cc2)CC1	ZINC000344465958	415922118	/nfs/dbraw/zinc/92/21/18/415922118.db2.gz	UXXZUQVBBCSEBX-UHFFFAOYSA-N	-1	0	317.389	0.805	20	30		DCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cncc(OC)c1	ZINC000337296306	415939803	/nfs/dbraw/zinc/93/98/03/415939803.db2.gz	ODBNOCIFFUNCLP-UHFFFAOYSA-N	-1	0	307.335	0.979	20	30		DCEDRM
CC[C@H](CC#N)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000134705541	415957861	/nfs/dbraw/zinc/95/78/61/415957861.db2.gz	IRNOCWBLQJUPII-SSDOTTSWSA-N	-1	0	303.365	0.900	20	30		DCEDRM
Cc1[n-]n(CC(C)C)c(=O)c1C(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000328981753	416143797	/nfs/dbraw/zinc/14/37/97/416143797.db2.gz	DTZTYMLWWYDMIK-QWRGUYRKSA-N	-1	0	315.395	0.620	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC(C)(C)C#N)C1	ZINC000422949296	416449389	/nfs/dbraw/zinc/44/93/89/416449389.db2.gz	UURSAHKBQXPYLK-WDEREUQCSA-N	-1	0	309.366	0.564	20	30		DCEDRM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)o1	ZINC000438238056	416596311	/nfs/dbraw/zinc/59/63/11/416596311.db2.gz	LVOFKZAMQUCJMN-UHFFFAOYSA-N	-1	0	324.318	0.862	20	30		DCEDRM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)cn1C	ZINC000439573841	416617981	/nfs/dbraw/zinc/61/79/81/416617981.db2.gz	STJAJNONGWLXHW-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000424487368	416656118	/nfs/dbraw/zinc/65/61/18/416656118.db2.gz	JWGFQJNBVYUUTE-CYDGBPFRSA-N	-1	0	324.377	0.263	20	30		DCEDRM
CCC(CC)(CNC(=O)C(=O)N1CCC(C#N)CC1)C(=O)[O-]	ZINC000424498717	416657288	/nfs/dbraw/zinc/65/72/88/416657288.db2.gz	XLFOZFFSSPYKJK-UHFFFAOYSA-N	-1	0	309.366	0.756	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)N(C)C(=O)OC(C)(C)C	ZINC000497132110	416660287	/nfs/dbraw/zinc/66/02/87/416660287.db2.gz	PJBRLPRKHWGQNP-VIFPVBQESA-N	-1	0	306.384	0.874	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	ZINC000514702894	416671979	/nfs/dbraw/zinc/67/19/79/416671979.db2.gz	HAJHKWNIOCVGAZ-JTQLQIEISA-N	-1	0	306.384	0.351	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C(=O)[O-])C1CCC1	ZINC000519826265	416944538	/nfs/dbraw/zinc/94/45/38/416944538.db2.gz	XNEQAJZSRKCCSS-ONGXEEELSA-N	-1	0	303.384	0.556	20	30		DCEDRM
COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)CC1(CC#N)CC1	ZINC000566311945	417045726	/nfs/dbraw/zinc/04/57/26/417045726.db2.gz	LSGYFYOIXPYOET-JTQLQIEISA-N	-1	0	304.368	0.432	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cnn(-c3cccnc3)c2)[n-]c1C#N	ZINC000433850268	417289771	/nfs/dbraw/zinc/28/97/71/417289771.db2.gz	YHIWMDQPHVHQNS-UHFFFAOYSA-N	-1	0	304.273	0.986	20	30		DCEDRM
CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H](C)C#N	ZINC000571493656	417446566	/nfs/dbraw/zinc/44/65/66/417446566.db2.gz	HAFBQIFBAIVZKZ-JGVFFNPUSA-N	-1	0	316.301	0.950	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@](C)(COC)C(=O)[O-]	ZINC000572936352	417465676	/nfs/dbraw/zinc/46/56/76/417465676.db2.gz	CLQKMEYEJRHWCB-SUNKGSAMSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-]	ZINC000575292867	417525621	/nfs/dbraw/zinc/52/56/21/417525621.db2.gz	ASTFXJBQBDOVTF-SNVBAGLBSA-N	-1	0	316.335	0.024	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC(CC#N)CC2)C1	ZINC000576218983	417590555	/nfs/dbraw/zinc/59/05/55/417590555.db2.gz	JWMZPDAHCHDGRM-AAEUAGOBSA-N	-1	0	321.377	0.708	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)CC(=O)[O-]	ZINC000530383007	417572629	/nfs/dbraw/zinc/57/26/29/417572629.db2.gz	HWIOMSAHHUSZTL-VIFPVBQESA-N	-1	0	316.310	0.465	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCCC(=O)[O-]	ZINC000578440867	417684104	/nfs/dbraw/zinc/68/41/04/417684104.db2.gz	POGZTTYRBAFTEM-UHFFFAOYSA-N	-1	0	308.342	0.302	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000646166203	417794973	/nfs/dbraw/zinc/79/49/73/417794973.db2.gz	BRECGRKWXIPNDO-NSHDSACASA-N	-1	0	300.355	0.494	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000647586914	418028266	/nfs/dbraw/zinc/02/82/66/418028266.db2.gz	RGSFTLWSZBCESQ-UHFFFAOYSA-N	-1	0	312.366	0.409	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@]2(C(=O)[O-])C[C@H](OCC)C2(C)C)nn1	ZINC000649249215	418214838	/nfs/dbraw/zinc/21/48/38/418214838.db2.gz	XQXZORHLNCRQCG-XHDPSFHLSA-N	-1	0	322.365	0.852	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CCC[C@@H](C)O1)C(=O)[O-]	ZINC000656598066	418366123	/nfs/dbraw/zinc/36/61/23/418366123.db2.gz	YEUAZIIGPSBZDZ-UTUOFQBUSA-N	-1	0	300.355	0.899	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2cccc3c2C(=O)NC3)c1	ZINC000357015735	261494946	/nfs/dbraw/zinc/49/49/46/261494946.db2.gz	DLEARIVJLPJDMK-UHFFFAOYSA-N	-1	0	314.326	0.997	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC(=O)[O-])cc1Br	ZINC000432754456	262645736	/nfs/dbraw/zinc/64/57/36/262645736.db2.gz	ZSBFUOPQVKWLPY-UHFFFAOYSA-N	-1	0	319.136	0.684	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])c1	ZINC000359421925	268314220	/nfs/dbraw/zinc/31/42/20/268314220.db2.gz	YEXQNABWYBGPBZ-UHFFFAOYSA-N	-1	0	305.275	0.479	20	30		DCEDRM
COC[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000548228675	288122939	/nfs/dbraw/zinc/12/29/39/288122939.db2.gz	HYSQZNNNOPAJLY-VIFPVBQESA-N	-1	0	302.283	0.075	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)CC2(C(=O)[O-])CCCCC2)n1	ZINC000556776308	288393409	/nfs/dbraw/zinc/39/34/09/288393409.db2.gz	VYYABFCXNKDZHO-UHFFFAOYSA-N	-1	0	305.338	0.691	20	30		DCEDRM
C[C@@H]1COCCN1CC/N=C(/[O-])c1cnc2n(c1=O)CCS2	ZINC000329128729	297123480	/nfs/dbraw/zinc/12/34/80/297123480.db2.gz	ZQDMLEBHKDADFQ-SNVBAGLBSA-N	-1	0	324.406	0.374	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000566311804	332334219	/nfs/dbraw/zinc/33/42/19/332334219.db2.gz	IIDRPGGUYHGSQD-VIFPVBQESA-N	-1	0	307.368	0.667	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1c(F)ccc(O)c1O	ZINC000295727051	335137468	/nfs/dbraw/zinc/13/74/68/335137468.db2.gz	VGXXDAOLPYXXSV-UHFFFAOYSA-N	-1	0	303.311	0.568	20	30		DCEDRM
C=CCOc1cccnc1C(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC000342586630	334553275	/nfs/dbraw/zinc/55/32/75/334553275.db2.gz	MTQPQVBRBJYABG-UHFFFAOYSA-N	-1	0	303.322	0.833	20	30		DCEDRM
C=CCCS(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000417443889	334882157	/nfs/dbraw/zinc/88/21/57/334882157.db2.gz	BCCOISBOPFHNGK-WDEREUQCSA-N	-1	0	318.395	0.192	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	ZINC001573771218	1159231625	/nfs/dbraw/zinc/23/16/25/1159231625.db2.gz	SEXMBVGKXZKQNB-OUAUKWLOSA-N	-1	0	301.368	0.119	20	30		DCEDRM
Cc1ccc2ncc(/C([O-])=N/[C@@H]3CC[S@](=O)C3)c(=O)n2c1	ZINC000330026732	336107233	/nfs/dbraw/zinc/10/72/33/336107233.db2.gz	LXHGRLCFPNTOKX-UZJPJQLHSA-N	-1	0	305.359	0.829	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)[O-]	ZINC000583697280	337083312	/nfs/dbraw/zinc/08/33/12/337083312.db2.gz	ZQIRDPDEBCLGJH-ONGXEEELSA-N	-1	0	319.383	0.125	20	30		DCEDRM
C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(C#N)s1	ZINC000582703977	337122287	/nfs/dbraw/zinc/12/22/87/337122287.db2.gz	RIWDXKOJSXOYNY-QMMMGPOBSA-N	-1	0	318.376	0.466	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2ccncc2C#N)C1=O	ZINC000584579464	337367627	/nfs/dbraw/zinc/36/76/27/337367627.db2.gz	YUZHIFYIUNCSNC-STQMWFEESA-N	-1	0	302.334	0.497	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)N[C@@H](c2ccccc2)C2CC2)c1=O	ZINC000584594010	337373662	/nfs/dbraw/zinc/37/36/62/337373662.db2.gz	PXDWCTQDJRIXPA-HNNXBMFYSA-N	-1	0	324.340	0.676	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CCO[C@H](C#N)C2)c1	ZINC000424657043	337943975	/nfs/dbraw/zinc/94/39/75/337943975.db2.gz	ZBJNNWGUZVLFFX-GTJPDFRWSA-N	-1	0	308.359	0.554	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000491815893	339884131	/nfs/dbraw/zinc/88/41/31/339884131.db2.gz	GGSAODYAQPHKCQ-CYBMUJFWSA-N	-1	0	311.341	0.948	20	30		DCEDRM
C=CCCS(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000496273791	340001953	/nfs/dbraw/zinc/00/19/53/340001953.db2.gz	JUEBVYSZXBDOPN-VIFPVBQESA-N	-1	0	322.383	0.460	20	30		DCEDRM
C[C@H](CNC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000496694316	340010700	/nfs/dbraw/zinc/01/07/00/340010700.db2.gz	LZYUMOVBJVVYHB-SECBINFHSA-N	-1	0	319.383	0.507	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)[N-]OCCO	ZINC000496922995	340016235	/nfs/dbraw/zinc/01/62/35/340016235.db2.gz	FWGHVIXXXCIOGX-JTQLQIEISA-N	-1	0	301.343	0.614	20	30		DCEDRM
COC[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000548541315	341265971	/nfs/dbraw/zinc/26/59/71/341265971.db2.gz	GMAWHBBYCPTSMA-JTQLQIEISA-N	-1	0	304.368	0.479	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000564841843	341511151	/nfs/dbraw/zinc/51/11/51/341511151.db2.gz	UMIUWYXGKLJNHS-AGIUHOORSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NCC1(C(=O)[O-])CCCC1	ZINC000566313265	341553765	/nfs/dbraw/zinc/55/37/65/341553765.db2.gz	SVMXTTGAYSCQAW-JTQLQIEISA-N	-1	0	303.384	0.700	20	30		DCEDRM
CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000567356411	341598152	/nfs/dbraw/zinc/59/81/52/341598152.db2.gz	KMFAFDHXUIRAMG-AXFHLTTASA-N	-1	0	305.400	0.896	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@](C)(COC)C(=O)[O-]	ZINC000572936353	341710038	/nfs/dbraw/zinc/71/00/38/341710038.db2.gz	CLQKMEYEJRHWCB-UHIISALHSA-N	-1	0	300.355	0.757	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000576822616	341864883	/nfs/dbraw/zinc/86/48/83/341864883.db2.gz	GGJSBSGOFHAOCE-UHFFFAOYSA-N	-1	0	319.317	0.876	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1ccc(F)cc1C#N	ZINC001601073430	1159780144	/nfs/dbraw/zinc/78/01/44/1159780144.db2.gz	UYDLMBMIVJDQDZ-UHFFFAOYSA-N	-1	0	311.294	0.686	20	30		DCEDRM
Cc1nc(CNS(=O)(=O)CC2(C#N)CC2)ccc1C(=O)[O-]	ZINC000274991137	534389425	/nfs/dbraw/zinc/38/94/25/534389425.db2.gz	MQWNYUPPKKRKLN-UHFFFAOYSA-N	-1	0	309.347	0.811	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C(=O)[O-]	ZINC000263139991	526787364	/nfs/dbraw/zinc/78/73/64/526787364.db2.gz	WPFQZXSECQEZJW-MRVPVSSYSA-N	-1	0	321.255	0.674	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)Cc1cc(C)no1)C(=O)OC	ZINC000360587086	526793362	/nfs/dbraw/zinc/79/33/62/526793362.db2.gz	ALAZKSHPRFHLAG-LLVKDONJSA-N	-1	0	318.351	0.147	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1cn2ccccc2n1)C(=O)[O-]	ZINC000262923876	526804493	/nfs/dbraw/zinc/80/44/93/526804493.db2.gz	GMDCMYOHEHBKRK-LBPRGKRZSA-N	-1	0	303.318	0.649	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)CC1CCCC1)C(=O)OC	ZINC000360620377	526811237	/nfs/dbraw/zinc/81/12/37/526811237.db2.gz	OUPSWZOUXAOEHM-LBPRGKRZSA-N	-1	0	305.396	0.840	20	30		DCEDRM
C=CCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@H]1CCS(=O)(=O)C1	ZINC000262242347	527549761	/nfs/dbraw/zinc/54/97/61/527549761.db2.gz	BRJYEBSHNTWNOQ-NSHDSACASA-N	-1	0	324.358	0.595	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000355989518	527639107	/nfs/dbraw/zinc/63/91/07/527639107.db2.gz	PYEXDQPDXATOIS-ZDUSSCGKSA-N	-1	0	314.363	0.566	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)nn1	ZINC000668305559	546724565	/nfs/dbraw/zinc/72/45/65/546724565.db2.gz	PZCXTOVODXOPJP-LBPRGKRZSA-N	-1	0	308.338	0.464	20	30		DCEDRM
CCS(=O)(=O)C=C(C)NNc1oc(C)nc1-c1nnn[n-]1	ZINC000736656238	598861050	/nfs/dbraw/zinc/86/10/50/598861050.db2.gz	IQAKOOSNHIDQKH-UHFFFAOYSA-N	-1	0	313.343	0.386	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC1(CS(C)(=O)=O)CCC1	ZINC000819865696	597616700	/nfs/dbraw/zinc/61/67/00/597616700.db2.gz	NNDCPLSULDZFGB-GFCCVEGCSA-N	-1	0	317.363	0.749	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(Cc2ccncc2)CC1	ZINC000819824267	597629582	/nfs/dbraw/zinc/62/95/82/597629582.db2.gz	XZDCJSSGROLGKQ-MRXNPFEDSA-N	-1	0	316.361	0.730	20	30		DCEDRM
Cn1ccnc1CN1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000821305333	597646184	/nfs/dbraw/zinc/64/61/84/597646184.db2.gz	YFGFFPAIZGHIAH-HNNXBMFYSA-N	-1	0	319.365	0.069	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000819812255	597646986	/nfs/dbraw/zinc/64/69/86/597646986.db2.gz	ZMVJMDYALBQHIT-LRDDRELGSA-N	-1	0	321.377	0.852	20	30		DCEDRM
CN(C)C(=O)c1ccnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000820535196	597659405	/nfs/dbraw/zinc/65/94/05/597659405.db2.gz	IPAXACLCMOXBDR-CQSZACIVSA-N	-1	0	304.306	0.726	20	30		DCEDRM
CC(=O)NCCN(C(=O)Cc1ccc(C#N)cc1)[C@H](C)C(=O)[O-]	ZINC000819746085	597682702	/nfs/dbraw/zinc/68/27/02/597682702.db2.gz	WCNRUQRCYIPZCR-LLVKDONJSA-N	-1	0	317.345	0.539	20	30		DCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NCc1ccccc1	ZINC000820114807	598224984	/nfs/dbraw/zinc/22/49/84/598224984.db2.gz	QBNURWZWWNPWLU-ZBEGNZNMSA-N	-1	0	317.345	0.812	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCNC(=O)c1ccccc1	ZINC000819833971	598225971	/nfs/dbraw/zinc/22/59/71/598225971.db2.gz	LAFJDMFOJFAJIE-MRXNPFEDSA-N	-1	0	317.345	0.927	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1cccc(C(N)=O)c1	ZINC000819842129	598226327	/nfs/dbraw/zinc/22/63/27/598226327.db2.gz	JRDMTABICUISQI-OAHLLOKOSA-N	-1	0	303.318	0.449	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(N2CCOCC2)cn1	ZINC000819856421	598226536	/nfs/dbraw/zinc/22/65/36/598226536.db2.gz	IRNBVSVNYRSUTI-HNNXBMFYSA-N	-1	0	318.333	0.861	20	30		DCEDRM
CC(C)N1C(=O)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1(C)C	ZINC000820025130	598228948	/nfs/dbraw/zinc/22/89/48/598228948.db2.gz	VGZBPXCPPIQKEJ-OAHLLOKOSA-N	-1	0	309.366	0.849	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NC2CCCS(=O)(=O)C2)o1	ZINC000737467443	598639701	/nfs/dbraw/zinc/63/97/01/598639701.db2.gz	OZOCICFCWSQPHW-UHFFFAOYSA-N	-1	0	311.327	0.140	20	30		DCEDRM
C[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)C(F)(F)F	ZINC000819877634	599313262	/nfs/dbraw/zinc/31/32/62/599313262.db2.gz	ZKDHKJUGGAREIR-VKHMYHEASA-N	-1	0	300.204	0.598	20	30		DCEDRM
C#CCN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC000736076197	599738245	/nfs/dbraw/zinc/73/82/45/599738245.db2.gz	BTTBMROVZJGWMB-CYBMUJFWSA-N	-1	0	321.354	0.647	20	30		DCEDRM
COC(=O)c1coc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)c1	ZINC000737712702	599803637	/nfs/dbraw/zinc/80/36/37/599803637.db2.gz	DVCYFTKYXKPDIL-UHFFFAOYSA-N	-1	0	302.242	0.846	20	30		DCEDRM
C#CCN(Cc1cc(C(=O)[O-])c(C)o1)[C@H]1CCS(=O)(=O)C1	ZINC000736078683	599928139	/nfs/dbraw/zinc/92/81/39/599928139.db2.gz	DWXATAYIZBTDCQ-NSHDSACASA-N	-1	0	311.359	0.909	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)CCSCC(=O)[O-]	ZINC000739142486	599963504	/nfs/dbraw/zinc/96/35/04/599963504.db2.gz	NECHVPCIDNRYAL-UHFFFAOYSA-N	-1	0	308.363	0.689	20	30		DCEDRM
N#CCCCCNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000739068831	600129764	/nfs/dbraw/zinc/12/97/64/600129764.db2.gz	HUSCEBBYUFUAHI-UHFFFAOYSA-N	-1	0	319.317	0.899	20	30		DCEDRM
CN(C(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1(C#N)CCCCC1	ZINC000737321499	600177454	/nfs/dbraw/zinc/17/74/54/600177454.db2.gz	GEDQHBANRVOJES-WDEREUQCSA-N	-1	0	308.334	0.935	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000738425073	600251309	/nfs/dbraw/zinc/25/13/09/600251309.db2.gz	AOXBNBDEZRBWLQ-ZDUSSCGKSA-N	-1	0	304.302	0.443	20	30		DCEDRM
Cc1c(C(=O)N(CC#N)CC(=O)[O-])nnn1-c1ccc(C)cc1	ZINC000738499795	600406509	/nfs/dbraw/zinc/40/65/09/600406509.db2.gz	IXXLSVOYKFDIOM-UHFFFAOYSA-N	-1	0	313.317	0.935	20	30		DCEDRM
Cc1cccc([C@@H](CC(=O)N(CC#N)CC(=O)[O-])NC(N)=O)c1	ZINC000738690475	600408617	/nfs/dbraw/zinc/40/86/17/600408617.db2.gz	KZNWGFZYJBRWGW-GFCCVEGCSA-N	-1	0	318.333	0.531	20	30		DCEDRM
COC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC000737587299	600569055	/nfs/dbraw/zinc/56/90/55/600569055.db2.gz	OAXYUSCKGWKYOH-QWHCGFSZSA-N	-1	0	304.302	0.558	20	30		DCEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCCS(=O)(=O)CC2)cc1	ZINC000739104465	600571210	/nfs/dbraw/zinc/57/12/10/600571210.db2.gz	GQBYRKKBPIXWKT-CYBMUJFWSA-N	-1	0	308.359	0.804	20	30		DCEDRM
N#Cc1ccc(NCC(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1	ZINC000739121048	600579393	/nfs/dbraw/zinc/57/93/93/600579393.db2.gz	KABMSKIZLFMELE-UHFFFAOYSA-N	-1	0	300.278	0.354	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000739087106	600764615	/nfs/dbraw/zinc/76/46/15/600764615.db2.gz	VJBYZVIITRFBJH-UHFFFAOYSA-N	-1	0	313.722	0.811	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)N1CCC(c2ccccc2)=N1	ZINC000833065840	601005024	/nfs/dbraw/zinc/00/50/24/601005024.db2.gz	IUBNCDYASRZLOT-UHFFFAOYSA-N	-1	0	300.318	0.533	20	30		DCEDRM
N=C(NOC(=O)CCCn1cnc(C(=O)[O-])n1)c1cccs1	ZINC000833079434	601223055	/nfs/dbraw/zinc/22/30/55/601223055.db2.gz	VPCROLJNYWBARK-UHFFFAOYSA-N	-1	0	323.334	0.682	20	30		DCEDRM
N#CCN(CC(=O)[O-])Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000833067811	601226340	/nfs/dbraw/zinc/22/63/40/601226340.db2.gz	YKEYXGCPUMRAMB-UHFFFAOYSA-N	-1	0	307.262	0.871	20	30		DCEDRM
CCOc1cccc(CNC(=O)CN(CC#N)CC(=O)[O-])c1	ZINC000830099788	601227167	/nfs/dbraw/zinc/22/71/67/601227167.db2.gz	OSMKVIJJKVXCPB-UHFFFAOYSA-N	-1	0	305.334	0.612	20	30		DCEDRM
C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)CCCCC#N)CC1	ZINC000827385983	601258851	/nfs/dbraw/zinc/25/88/51/601258851.db2.gz	QARNONJONZAFBZ-GFCCVEGCSA-N	-1	0	317.411	0.491	20	30		DCEDRM
O=C([O-])c1ccc(C=NN=C2NS(=O)(=O)c3ccccc32)[nH]1	ZINC000749810920	601336689	/nfs/dbraw/zinc/33/66/89/601336689.db2.gz	YCBRXYFXXGDDDY-UHFFFAOYSA-N	-1	0	318.314	0.786	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)C2=NNC(=O)CC2)C(=O)[O-])c1	ZINC000833074540	601343795	/nfs/dbraw/zinc/34/37/95/601343795.db2.gz	AEBHAVISGYXMRT-LBPRGKRZSA-N	-1	0	301.258	0.493	20	30		DCEDRM
CN1N=C(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)CCC1=O	ZINC000830968851	601347504	/nfs/dbraw/zinc/34/75/04/601347504.db2.gz	UIIHRJRPOOYVOC-CYBMUJFWSA-N	-1	0	315.285	0.835	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)COC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC000826794448	601356948	/nfs/dbraw/zinc/35/69/48/601356948.db2.gz	XNGYVBQLGGHMNS-LLVKDONJSA-N	-1	0	321.333	0.669	20	30		DCEDRM
N#CCCn1ncc2c1ncnc2N1CCO[C@@H](CC(=O)[O-])C1	ZINC000833066362	601381980	/nfs/dbraw/zinc/38/19/80/601381980.db2.gz	WEBPWIXRAGANJL-JTQLQIEISA-N	-1	0	316.321	0.420	20	30		DCEDRM
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCO[C@H](CC(=O)[O-])C1	ZINC000831085020	601573865	/nfs/dbraw/zinc/57/38/65/601573865.db2.gz	VOWSPGBVUOUOEB-HIFRSBDPSA-N	-1	0	318.329	0.948	20	30		DCEDRM
COC(=O)C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC000831147950	601574039	/nfs/dbraw/zinc/57/40/39/601574039.db2.gz	MLUPGNSKXPSFHX-HIFRSBDPSA-N	-1	0	318.329	0.948	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000833067901	601670207	/nfs/dbraw/zinc/67/02/07/601670207.db2.gz	JPYCQFIRKAWZKM-NSHDSACASA-N	-1	0	304.302	0.905	20	30		DCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000262378033	601725970	/nfs/dbraw/zinc/72/59/70/601725970.db2.gz	YJFHKYAQLUAYCJ-ZUZCIYMTSA-N	-1	0	304.302	0.685	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000831836329	601739847	/nfs/dbraw/zinc/73/98/47/601739847.db2.gz	FVKXZBLBXKSQJT-ZDUSSCGKSA-N	-1	0	306.318	0.983	20	30		DCEDRM
O=C([O-])[C@H]1CCCCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000740308028	601744143	/nfs/dbraw/zinc/74/41/43/601744143.db2.gz	SDSVQOHMTXHDFE-YAWLZAOSSA-N	-1	0	321.333	0.369	20	30		DCEDRM
Cn1c(NCCCCCCCC(=O)[O-])c(C#N)c(=O)n(C)c1=O	ZINC000833039802	601864213	/nfs/dbraw/zinc/86/42/13/601864213.db2.gz	MLFNPNQIZOUPIQ-UHFFFAOYSA-N	-1	0	322.365	0.793	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)NCC#N)c(C(=O)[O-])s1	ZINC000831343962	602154423	/nfs/dbraw/zinc/15/44/23/602154423.db2.gz	VPWJTKUUBIBTOD-UHFFFAOYSA-N	-1	0	304.305	0.035	20	30		DCEDRM
C=CCC(CC=C)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC000825659711	602203526	/nfs/dbraw/zinc/20/35/26/602203526.db2.gz	AGPMKNNKIFPRAC-UHFFFAOYSA-N	-1	0	315.391	0.903	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cn(Cc2cccc(F)c2)nn1	ZINC000833066426	602313676	/nfs/dbraw/zinc/31/36/76/602313676.db2.gz	YMZSUFZBYTYFTI-UHFFFAOYSA-N	-1	0	317.280	0.516	20	30		DCEDRM
N#C[C@H]1CN(C(=O)CCNC(=O)[O-])CCN1Cc1ccccc1	ZINC000738422097	603104344	/nfs/dbraw/zinc/10/43/44/603104344.db2.gz	HOOSAYRAEIUWQZ-AWEZNQCLSA-N	-1	0	316.361	0.881	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)[O-]	ZINC000826075187	603123250	/nfs/dbraw/zinc/12/32/50/603123250.db2.gz	VOUQLNPGWHRKDI-JTQLQIEISA-N	-1	0	309.347	0.931	20	30		DCEDRM
CN(CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(=O)[O-]	ZINC000737388261	603133802	/nfs/dbraw/zinc/13/38/02/603133802.db2.gz	GCDJJBGKIFCADF-AWEZNQCLSA-N	-1	0	316.361	0.833	20	30		DCEDRM
N#CCCn1ccc(NC(=O)N[C@@H](CNC(=O)[O-])C2CC2)n1	ZINC000831097893	603335847	/nfs/dbraw/zinc/33/58/47/603335847.db2.gz	YDFWDVMVFOEFOB-JTQLQIEISA-N	-1	0	306.326	0.964	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)c1N	ZINC000831161783	603436064	/nfs/dbraw/zinc/43/60/64/603436064.db2.gz	LOUXMPSSDGSAMN-SCZZXKLOSA-N	-1	0	307.310	0.316	20	30		DCEDRM
CN1CCN(C(=O)c2cccc(CC#N)c2)[C@H](CNC(=O)[O-])C1	ZINC000828514487	603521748	/nfs/dbraw/zinc/52/17/48/603521748.db2.gz	YPZMRZOJVGTHRW-CQSZACIVSA-N	-1	0	316.361	0.776	20	30		DCEDRM
C[C@@H](Sc1nncn1C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825623745	603590012	/nfs/dbraw/zinc/59/00/12/603590012.db2.gz	OTRYAVYTHVQUSS-BDAKNGLRSA-N	-1	0	324.366	0.010	20	30		DCEDRM
COC(=O)c1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000828767150	603590910	/nfs/dbraw/zinc/59/09/10/603590910.db2.gz	UYUFHAXIJHQHTC-GFCCVEGCSA-N	-1	0	317.301	0.801	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc2c1OCCO2	ZINC000831091336	603591353	/nfs/dbraw/zinc/59/13/53/603591353.db2.gz	BRBMTMJNWRXLFX-JTQLQIEISA-N	-1	0	317.301	0.786	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCOC[C@H]1CCCO1	ZINC000831082768	603593368	/nfs/dbraw/zinc/59/33/68/603593368.db2.gz	QTJXKHCZZUZJSS-NWDGAFQWSA-N	-1	0	311.338	0.286	20	30		DCEDRM
N#CCN1CCN(C(=O)c2csc(CNC(=O)[O-])n2)CC1	ZINC000831102395	603626173	/nfs/dbraw/zinc/62/61/73/603626173.db2.gz	IZCQYUCOYZBUHY-UHFFFAOYSA-N	-1	0	309.351	0.192	20	30		DCEDRM
CN(C(=O)[O-])[C@@H]1CCN(C(=O)NC2CCN(CC#N)CC2)C1	ZINC000827846249	603651394	/nfs/dbraw/zinc/65/13/94/603651394.db2.gz	HMNSHVSHHCZVID-GFCCVEGCSA-N	-1	0	309.370	0.368	20	30		DCEDRM
C#CCN(CC#C)C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000823450779	603726254	/nfs/dbraw/zinc/72/62/54/603726254.db2.gz	IYZDWPJKVUORAL-UHFFFAOYSA-N	-1	0	315.333	0.302	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1Cc1cc(=O)n2ccsc2n1	ZINC000831091841	603726427	/nfs/dbraw/zinc/72/64/27/603726427.db2.gz	MBDURJCLQOFRQM-SNVBAGLBSA-N	-1	0	319.346	0.444	20	30		DCEDRM
N#Cc1csc(C(=O)NCCN2CCN(C(=O)[O-])CC2)c1	ZINC000831161863	603754221	/nfs/dbraw/zinc/75/42/21/603754221.db2.gz	OGUGKGAVQIGDEM-UHFFFAOYSA-N	-1	0	308.363	0.645	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C2(NC(=O)[O-])Cc3ccccc3C2)CCO1	ZINC000831077219	603762983	/nfs/dbraw/zinc/76/29/83/603762983.db2.gz	XPEXBBORHWGVGS-ZDUSSCGKSA-N	-1	0	315.329	0.543	20	30		DCEDRM
CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1cc(C#N)c[nH]1	ZINC000828316697	603881705	/nfs/dbraw/zinc/88/17/05/603881705.db2.gz	SBGOEBYVHZOOJQ-UHFFFAOYSA-N	-1	0	305.338	0.254	20	30		DCEDRM
C[C@@]1(C(=O)NCCNc2ncccc2C#N)CCN(C(=O)[O-])C1	ZINC000825664220	603896038	/nfs/dbraw/zinc/89/60/38/603896038.db2.gz	ZSHZSZKVZFFFDH-OAHLLOKOSA-N	-1	0	317.349	0.871	20	30		DCEDRM
Cc1ccsc1S(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830621103	603918318	/nfs/dbraw/zinc/91/83/18/603918318.db2.gz	ZJSITDMOLFHAJD-SECBINFHSA-N	-1	0	315.376	0.933	20	30		DCEDRM
N#CCNC(=O)COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-]	ZINC000831102811	603931152	/nfs/dbraw/zinc/93/11/52/603931152.db2.gz	VGSYTVNEZOKMSD-MNOVXSKESA-N	-1	0	311.338	0.776	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)COC2CN(C(=O)[O-])C2)cc1	ZINC000831141176	604018353	/nfs/dbraw/zinc/01/83/53/604018353.db2.gz	FHUZXZFQUJTJQB-UHFFFAOYSA-N	-1	0	319.317	0.432	20	30		DCEDRM
C#CCNC(=O)COC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823456719	604024304	/nfs/dbraw/zinc/02/43/04/604024304.db2.gz	PYNDRDRALIJMCZ-FZMZJTMJSA-N	-1	0	318.329	0.924	20	30		DCEDRM
C=C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000823883742	607669064	/nfs/dbraw/zinc/66/90/64/607669064.db2.gz	ZHRKZSRGBXOKPS-SSDOTTSWSA-N	-1	0	324.322	0.628	20	30		DCEDRM
C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825464711	604065281	/nfs/dbraw/zinc/06/52/81/604065281.db2.gz	FPAFKRPHSJIHCO-ZJUUUORDSA-N	-1	0	320.305	0.112	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)/C=C/c1cncc(F)c1	ZINC000831076696	604071313	/nfs/dbraw/zinc/07/13/13/604071313.db2.gz	RBTSUTZZLWYYOT-ISUDXETCSA-N	-1	0	304.281	0.948	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CSCCS1	ZINC000831077175	604081554	/nfs/dbraw/zinc/08/15/54/604081554.db2.gz	XDJVABXSLUQPRW-IUCAKERBSA-N	-1	0	301.393	0.549	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccnc(C2CC2)n1	ZINC000831091638	604089510	/nfs/dbraw/zinc/08/95/10/604089510.db2.gz	JMPYLDZJXFVPHY-SNVBAGLBSA-N	-1	0	301.306	0.682	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])n1	ZINC000830985760	604154770	/nfs/dbraw/zinc/15/47/70/604154770.db2.gz	VZDIMXAIRORHBY-WCBMZHEXSA-N	-1	0	306.326	0.850	20	30		DCEDRM
C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1	ZINC000826039659	604330910	/nfs/dbraw/zinc/33/09/10/604330910.db2.gz	XBCJRPXQXZTMDM-QMTHXVAHSA-N	-1	0	313.317	0.728	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CCNC(=O)C2CCCC2)c1=O	ZINC000833068979	604343168	/nfs/dbraw/zinc/34/31/68/604343168.db2.gz	RBUPHYZMZDCFIT-UHFFFAOYSA-N	-1	0	303.318	0.725	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(C#N)cn2C)CCO1	ZINC000825328893	604447706	/nfs/dbraw/zinc/44/77/06/604447706.db2.gz	XOHLYFRZOUIAAS-CABZTGNLSA-N	-1	0	306.322	0.394	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2c[nH]c(C(=O)[O-])c2)CC1	ZINC000833376774	604522359	/nfs/dbraw/zinc/52/23/59/604522359.db2.gz	BMOWKGZSJSKICV-UHFFFAOYSA-N	-1	0	306.366	0.133	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000832849307	604547379	/nfs/dbraw/zinc/54/73/79/604547379.db2.gz	CAXIGCWNXLNTGQ-HNNXBMFYSA-N	-1	0	319.292	0.830	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])cc1	ZINC000833073229	604652264	/nfs/dbraw/zinc/65/22/64/604652264.db2.gz	JMQIUWKHKHOBDS-GFCCVEGCSA-N	-1	0	301.302	0.962	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)CCO1	ZINC000825308413	604669500	/nfs/dbraw/zinc/66/95/00/604669500.db2.gz	FUMOEYIQQJKLLB-FZMZJTMJSA-N	-1	0	317.345	0.984	20	30		DCEDRM
N#Cc1cccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1	ZINC000833074281	604704833	/nfs/dbraw/zinc/70/48/33/604704833.db2.gz	UDEIJIUWPIGFBG-UHFFFAOYSA-N	-1	0	300.274	0.634	20	30		DCEDRM
C=CCCS(=O)(=O)NCCCN1CCN(C(=O)[O-])CC1	ZINC000823501525	604761236	/nfs/dbraw/zinc/76/12/36/604761236.db2.gz	YNFTUBIXIUNFOQ-UHFFFAOYSA-N	-1	0	305.400	0.168	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2C)CC1	ZINC000237812185	604954402	/nfs/dbraw/zinc/95/44/02/604954402.db2.gz	SOFAJWVLZHRYBQ-UHFFFAOYSA-N	-1	0	322.386	0.633	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cncc(C(=O)[O-])c1	ZINC000833376929	605018818	/nfs/dbraw/zinc/01/88/18/605018818.db2.gz	WTDJQOSPDCBQGX-QMMMGPOBSA-N	-1	0	321.289	0.337	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC000833376115	605058931	/nfs/dbraw/zinc/05/89/31/605058931.db2.gz	UIQCDFBSWIRRAL-UHFFFAOYSA-N	-1	0	322.317	0.651	20	30		DCEDRM
C#CCN(C[C@H]1CC(C(=O)[O-])=C(C)O1)[C@H]1CCS(=O)(=O)C1	ZINC000833364125	605360014	/nfs/dbraw/zinc/36/00/14/605360014.db2.gz	FAFGLQYEMLPVGL-NWDGAFQWSA-N	-1	0	313.375	0.256	20	30		DCEDRM
N#CCN1CCC(NC(=O)NC[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000833966374	605385106	/nfs/dbraw/zinc/38/51/06/605385106.db2.gz	DZQQVVMDCBUSGM-LLVKDONJSA-N	-1	0	309.370	0.273	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000833366136	605498431	/nfs/dbraw/zinc/49/84/31/605498431.db2.gz	HTSZWKSIDAHOLM-UHFFFAOYSA-N	-1	0	319.317	0.159	20	30		DCEDRM
CN(CCN(C)S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000833874073	605509462	/nfs/dbraw/zinc/50/94/62/605509462.db2.gz	XPCDIHPKEAFLPY-UHFFFAOYSA-N	-1	0	315.326	0.928	20	30		DCEDRM
C#CCNC(=O)COC(=O)C[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823457289	605551470	/nfs/dbraw/zinc/55/14/70/605551470.db2.gz	XHVGEOVDUOXKML-GFCCVEGCSA-N	-1	0	304.302	0.678	20	30		DCEDRM
C#CCCCCCC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC000833361933	605623318	/nfs/dbraw/zinc/62/33/18/605623318.db2.gz	SIEKSIFBHNEESB-UHFFFAOYSA-N	-1	0	315.391	0.718	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000833968657	605685381	/nfs/dbraw/zinc/68/53/81/605685381.db2.gz	XELRCSQZMBRUSR-KGYLQXTDSA-N	-1	0	320.305	0.720	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833374995	605692499	/nfs/dbraw/zinc/69/24/99/605692499.db2.gz	DDBYOVSWLGFZSY-CHWSQXEVSA-N	-1	0	324.377	0.525	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC[C@H](CNC(=O)[O-])C2)c1C#N	ZINC000833935651	605695601	/nfs/dbraw/zinc/69/56/01/605695601.db2.gz	HESOPDWMHPJWSC-SNVBAGLBSA-N	-1	0	306.322	0.903	20	30		DCEDRM
NC(=O)CNC(=S)NN=C1C[C@@H](NC(=O)[O-])c2ccccc21	ZINC000833985685	605742065	/nfs/dbraw/zinc/74/20/65/605742065.db2.gz	UBIREHNIRLIJFB-SECBINFHSA-N	-1	0	321.362	0.053	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)[O-])C2CC2)cc1	ZINC000833976982	605805320	/nfs/dbraw/zinc/80/53/20/605805320.db2.gz	JWAOCPNDRFROOL-LBPRGKRZSA-N	-1	0	309.347	0.883	20	30		DCEDRM
C=CCNC(=O)COC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823507454	605826438	/nfs/dbraw/zinc/82/64/38/605826438.db2.gz	YDVKEBCVACKXJY-VIFPVBQESA-N	-1	0	302.352	0.317	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCC(NC(=O)[O-])CC2)cc1	ZINC000833973389	605833625	/nfs/dbraw/zinc/83/36/25/605833625.db2.gz	OLYVIOMSZFCQSI-ZDUSSCGKSA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#CCN1CCC(NC(=O)[C@H]2CC23CCN(C(=O)[O-])CC3)CC1	ZINC000833966936	605835895	/nfs/dbraw/zinc/83/58/95/605835895.db2.gz	MXBNXOCBSCMDFI-CYBMUJFWSA-N	-1	0	320.393	0.871	20	30		DCEDRM
N#CCN1CCN(C(=O)[C@H]2CC23CCN(C(=O)[O-])CC3)CC1	ZINC000833966362	605965598	/nfs/dbraw/zinc/96/55/98/605965598.db2.gz	DVSLAPAXAWNSAH-GFCCVEGCSA-N	-1	0	306.366	0.434	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2cnc(NC(=O)[O-])cn2)CCN1C1CC1	ZINC000833965682	606003143	/nfs/dbraw/zinc/00/31/43/606003143.db2.gz	DCAKQHORKLVSQZ-JTQLQIEISA-N	-1	0	316.321	0.379	20	30		DCEDRM
CC(C[C@@H]1CCCCCN1C(=O)[O-])N=NC1=NC(=O)C(=O)N1	ZINC000833804589	606006633	/nfs/dbraw/zinc/00/66/33/606006633.db2.gz	WFCUOWPHAMFHFS-VIFPVBQESA-N	-1	0	309.326	0.277	20	30		DCEDRM
COC(=O)c1cc(CN=Nc2oc(C)nc2-c2nnn[n-]2)c[nH]1	ZINC000821666759	606601162	/nfs/dbraw/zinc/60/11/62/606601162.db2.gz	CYROIPDWVYYMAQ-UHFFFAOYSA-N	-1	0	316.281	0.724	20	30		DCEDRM
CC[C@H]1CC[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)O1	ZINC000820973525	606848482	/nfs/dbraw/zinc/84/84/82/606848482.db2.gz	XUPMUKVLSTUKFJ-XPUUQOCRSA-N	-1	0	302.298	0.358	20	30		DCEDRM
C=C[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000819729739	606894938	/nfs/dbraw/zinc/89/49/38/606894938.db2.gz	LUZAQJVVQPOUTA-LURJTMIESA-N	-1	0	315.305	0.998	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2ccccc2-c2nn[nH]n2)c1=O	ZINC000826336558	607882844	/nfs/dbraw/zinc/88/28/44/607882844.db2.gz	CUXUJJBDJZOYAR-UHFFFAOYSA-N	-1	0	314.334	0.298	20	30		DCEDRM
C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000824866876	608116957	/nfs/dbraw/zinc/11/69/57/608116957.db2.gz	NWGBHRSZSMSFRM-POYBYMJQSA-N	-1	0	314.309	0.405	20	30		DCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)N(C)CC(=O)OCC)CC1	ZINC000893699032	661289407	/nfs/dbraw/zinc/28/94/07/661289407.db2.gz	YRWANZJOGQXFFM-UHFFFAOYSA-N	-1	0	318.395	0.589	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000180730913	665453212	/nfs/dbraw/zinc/45/32/12/665453212.db2.gz	PPCZCZUQUPHTII-UHFFFAOYSA-N	-1	0	311.363	0.123	20	30		DCEDRM
CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000744013481	657565293	/nfs/dbraw/zinc/56/52/93/657565293.db2.gz	AAXZNZBKVMEXAD-UHFFFAOYSA-N	-1	0	323.374	0.670	20	30		DCEDRM
C[S@@](=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)cc1	ZINC000181271933	665514380	/nfs/dbraw/zinc/51/43/80/665514380.db2.gz	XAHNMPUDIBGWGL-LJQANCHMSA-N	-1	0	314.388	0.787	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)[C@H]1CCCO1	ZINC000926544058	657911649	/nfs/dbraw/zinc/91/16/49/657911649.db2.gz	YYIOHHGQEMOMFD-ZIAGYGMSSA-N	-1	0	323.370	0.773	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)CO1	ZINC000784539769	659569192	/nfs/dbraw/zinc/56/91/92/659569192.db2.gz	AALAFBTZASJROU-MNOVXSKESA-N	-1	0	300.380	0.941	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000263540358	662714117	/nfs/dbraw/zinc/71/41/17/662714117.db2.gz	CFQSHXVIOUGSTE-LLVKDONJSA-N	-1	0	321.399	0.182	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)OC)s1	ZINC000729890928	662911881	/nfs/dbraw/zinc/91/18/81/662911881.db2.gz	KHYKFNGKCQIBSA-UHFFFAOYSA-N	-1	0	319.360	0.542	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000729885629	662911959	/nfs/dbraw/zinc/91/19/59/662911959.db2.gz	DQVVAIXUAYLVOD-UHFFFAOYSA-N	-1	0	314.319	0.743	20	30		DCEDRM
C#CCN1CCCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC000989473178	662951801	/nfs/dbraw/zinc/95/18/01/662951801.db2.gz	RMQXXOSALKYUSK-UHFFFAOYSA-N	-1	0	300.318	0.710	20	30		DCEDRM
C=C1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1	ZINC000898692231	663103522	/nfs/dbraw/zinc/10/35/22/663103522.db2.gz	MWEKJVRSCNNCQS-UHFFFAOYSA-N	-1	0	302.302	0.642	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000899551148	663152374	/nfs/dbraw/zinc/15/23/74/663152374.db2.gz	LWZHMWSZSIPWLP-JTQLQIEISA-N	-1	0	302.334	0.806	20	30		DCEDRM
CCOC[C@@H](C)CS(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899926416	663201131	/nfs/dbraw/zinc/20/11/31/663201131.db2.gz	LIBFTABNDCPDQJ-OLZOCXBDSA-N	-1	0	317.407	0.789	20	30		DCEDRM
C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899925674	663201241	/nfs/dbraw/zinc/20/12/41/663201241.db2.gz	GCRXAOISMBNWPM-QJPTWQEYSA-N	-1	0	301.364	0.294	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@]12C[C@H]1COC21CCC1)C(=O)[O-]	ZINC000900308761	663233939	/nfs/dbraw/zinc/23/39/39/663233939.db2.gz	OHELVUNRKRBJMF-SLEUVZQESA-N	-1	0	324.377	0.901	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@]2(N)C[C@H](OCC)C2(C)C)CC1	ZINC000901058623	663312707	/nfs/dbraw/zinc/31/27/07/663312707.db2.gz	GFCPFCQBGGNBCV-IINYFYTJSA-N	-1	0	316.423	0.684	20	30		DCEDRM
O=C(c1cccc(C#CCO)c1)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000901177002	663328803	/nfs/dbraw/zinc/32/88/03/663328803.db2.gz	QGQGUOVHYUIFBS-CQSZACIVSA-N	-1	0	311.345	0.563	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CC2(CCC2)CO1)C(=O)[O-]	ZINC000905577250	663566614	/nfs/dbraw/zinc/56/66/14/663566614.db2.gz	MDARRUDGZIXQQY-NEPJUHHUSA-N	-1	0	312.366	0.901	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1	ZINC000906006650	663595360	/nfs/dbraw/zinc/59/53/60/663595360.db2.gz	CFOIUMAJSQANSG-JTQLQIEISA-N	-1	0	316.379	0.188	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)[C@H]1CCCO1	ZINC000906934220	663652707	/nfs/dbraw/zinc/65/27/07/663652707.db2.gz	HIKSZWJTQHWSLI-VHSXEESVSA-N	-1	0	315.372	0.905	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCCOC[C@H]1CCOC1)C(=O)[O-]	ZINC000908947600	663775985	/nfs/dbraw/zinc/77/59/85/663775985.db2.gz	DWHFYXVFIVVTTI-NWDGAFQWSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@H](C)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000910052695	663837369	/nfs/dbraw/zinc/83/73/69/663837369.db2.gz	GPJRCCLJIXTZIG-WCQYABFASA-N	-1	0	302.330	0.788	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)[O-]	ZINC000910052436	663837371	/nfs/dbraw/zinc/83/73/71/663837371.db2.gz	XUODYIXUYHYVSM-JQWIXIFHSA-N	-1	0	318.304	0.771	20	30		DCEDRM
C#CC[C@H](NC(=O)CCCNC(=O)c1ccccc1)C(=O)[O-]	ZINC000910052943	663837413	/nfs/dbraw/zinc/83/74/13/663837413.db2.gz	KQNUNOLIEMBLHH-ZDUSSCGKSA-N	-1	0	302.330	0.789	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(=O)[O-]	ZINC000910053424	663837442	/nfs/dbraw/zinc/83/74/42/663837442.db2.gz	UILCCTUJYPMMIT-GHMZBOCLSA-N	-1	0	304.277	0.844	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1ccccc1O[C@@H]1CCOC1)C(=O)[O-]	ZINC000910049999	663840895	/nfs/dbraw/zinc/84/08/95/663840895.db2.gz	BOFHXWARTDZBEJ-KGLIPLIRSA-N	-1	0	317.341	0.990	20	30		DCEDRM
C#CC[C@@H](NC(=O)C1CCN(C(=O)c2ccoc2)CC1)C(=O)[O-]	ZINC000910050950	663841139	/nfs/dbraw/zinc/84/11/39/663841139.db2.gz	BGAIUTCJOTWAOA-CYBMUJFWSA-N	-1	0	318.329	0.725	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cn(Cc2ccccc2)nn1	ZINC000129326661	663947091	/nfs/dbraw/zinc/94/70/91/663947091.db2.gz	PJDVVWWUXWBHDG-CYBMUJFWSA-N	-1	0	309.329	0.927	20	30		DCEDRM
C#C[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1CCOCC1	ZINC000911789773	664109525	/nfs/dbraw/zinc/10/95/25/664109525.db2.gz	HXGJIEGLHOFOBQ-MJBXVCDLSA-N	-1	0	309.362	0.801	20	30		DCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730526744	664785225	/nfs/dbraw/zinc/78/52/25/664785225.db2.gz	WWJDMLIUJPHRMV-UHFFFAOYSA-N	-1	0	322.328	0.601	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1	ZINC000732091466	664902698	/nfs/dbraw/zinc/90/26/98/664902698.db2.gz	FUNHZVOPJVVYAQ-GFCCVEGCSA-N	-1	0	314.305	0.050	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1	ZINC000732091467	664902794	/nfs/dbraw/zinc/90/27/94/664902794.db2.gz	FUNHZVOPJVVYAQ-LBPRGKRZSA-N	-1	0	314.305	0.050	20	30		DCEDRM
C=CC[N@H+]1CCC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H]1C	ZINC000993941295	665020971	/nfs/dbraw/zinc/02/09/71/665020971.db2.gz	AHVHACLQLVKNHY-AAEUAGOBSA-N	-1	0	315.377	0.791	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2c(c1)OCC(=O)N2	ZINC000916869929	665097946	/nfs/dbraw/zinc/09/79/46/665097946.db2.gz	ZITQQLWFQLVZNP-LLVKDONJSA-N	-1	0	313.313	0.962	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)cc1	ZINC000916869008	665098129	/nfs/dbraw/zinc/09/81/29/665098129.db2.gz	YHMMHULXYUFXTL-ZDUSSCGKSA-N	-1	0	317.345	0.651	20	30		DCEDRM
Cc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000916927543	665100467	/nfs/dbraw/zinc/10/04/67/665100467.db2.gz	WNKPENUACIWBDE-CYBMUJFWSA-N	-1	0	320.370	1.000	20	30		DCEDRM
O=C(NCC#CCO)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC000861551922	666944067	/nfs/dbraw/zinc/94/40/67/666944067.db2.gz	WIHALMJRWHUDBM-UHFFFAOYSA-N	-1	0	304.224	0.184	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-]	ZINC000863421162	667142360	/nfs/dbraw/zinc/14/23/60/667142360.db2.gz	VPSIGFKVUKIZKL-SNVBAGLBSA-N	-1	0	311.787	0.928	20	30		DCEDRM
CCC(=O)N1CCC[C@@H](C(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC000119501428	667152625	/nfs/dbraw/zinc/15/26/25/667152625.db2.gz	GFDKEXVOXNXUIY-VXGBXAGGSA-N	-1	0	316.361	0.960	20	30		DCEDRM
C=CCC(F)(F)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863934056	667195134	/nfs/dbraw/zinc/19/51/34/667195134.db2.gz	CQAKOIUZPYLKIK-UHFFFAOYSA-N	-1	0	310.260	0.415	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](OCC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000864145267	667219190	/nfs/dbraw/zinc/21/91/90/667219190.db2.gz	HKOORIWCLZFBCI-WOPDTQHZSA-N	-1	0	301.339	0.200	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)C(=O)Nc1cc(C)on1)C(=O)[O-]	ZINC000864183515	667222427	/nfs/dbraw/zinc/22/24/27/667222427.db2.gz	GLOJEUYCJSZBPW-ZETCQYMHSA-N	-1	0	301.686	0.634	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)/C=C\c1cncc(C(=O)NC)c1)C(=O)[O-]	ZINC000864188332	667223043	/nfs/dbraw/zinc/22/30/43/667223043.db2.gz	SPVHLTWQSMYPIZ-ZFDPJTLLSA-N	-1	0	317.345	0.990	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C	ZINC000869283085	667645471	/nfs/dbraw/zinc/64/54/71/667645471.db2.gz	YYTXUCPQXBQXPF-KGLIPLIRSA-N	-1	0	322.365	0.332	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2c(C)nn3cccnc23)CC1	ZINC000870833148	667764842	/nfs/dbraw/zinc/76/48/42/667764842.db2.gz	XPHIAHNFRYAWQX-UHFFFAOYSA-N	-1	0	306.347	0.816	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCOC[C@H]2OCC)CC1	ZINC000870840092	667765978	/nfs/dbraw/zinc/76/59/78/667765978.db2.gz	INKPKNBVQLPMTR-NWDGAFQWSA-N	-1	0	317.407	0.983	20	30		DCEDRM
C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cccc(C#N)c1	ZINC000743777082	667816468	/nfs/dbraw/zinc/81/64/68/667816468.db2.gz	OOGFTANRMMGVPY-JTQLQIEISA-N	-1	0	322.328	0.820	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)COC)cc1	ZINC000744137156	667821146	/nfs/dbraw/zinc/82/11/46/667821146.db2.gz	MDEBXVXMGVDROU-LLVKDONJSA-N	-1	0	311.359	0.793	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1	ZINC000887052209	667841797	/nfs/dbraw/zinc/84/17/97/667841797.db2.gz	OBSONYLZNZEPGA-NSHDSACASA-N	-1	0	312.366	0.095	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)c2nnn(C)c2C)n1	ZINC000745169345	667842354	/nfs/dbraw/zinc/84/23/54/667842354.db2.gz	XRLQHNPXHKTYQH-VIFPVBQESA-N	-1	0	319.346	0.922	20	30		DCEDRM
CON=Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)cc1	ZINC000747183755	667896845	/nfs/dbraw/zinc/89/68/45/667896845.db2.gz	OZMHIWIDKXVCQY-UHFFFAOYSA-N	-1	0	323.330	0.915	20	30		DCEDRM
COc1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)cc1C#N	ZINC000747446965	667903237	/nfs/dbraw/zinc/90/32/37/667903237.db2.gz	OKKLUMNSKGWAHI-UHFFFAOYSA-N	-1	0	314.301	0.296	20	30		DCEDRM
Cc1nc(C(=O)Nc2cc(C#N)ccc2[O-])nn1-c1nc[nH]n1	ZINC000748410038	667927195	/nfs/dbraw/zinc/92/71/95/667927195.db2.gz	DLJRTJRDQRASAR-UHFFFAOYSA-N	-1	0	310.277	0.523	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C2	ZINC000873001665	667963015	/nfs/dbraw/zinc/96/30/15/667963015.db2.gz	RMBBLXHNSWHSBB-MCIONIFRSA-N	-1	0	300.314	0.774	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)c(OCC(=O)OC)c(C)c1	ZINC000752164086	668013687	/nfs/dbraw/zinc/01/36/87/668013687.db2.gz	BOOCZTPCJWKHSE-LBPRGKRZSA-N	-1	0	318.329	0.924	20	30		DCEDRM
Cc1ncc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)nc2)s1	ZINC000755884519	668069113	/nfs/dbraw/zinc/06/91/13/668069113.db2.gz	CVQILXOXNQWSMD-UHFFFAOYSA-N	-1	0	308.344	0.837	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2cccc3c2COC3=O)n1	ZINC000755981591	668075080	/nfs/dbraw/zinc/07/50/80/668075080.db2.gz	VOJKFOOXAIMZHR-UHFFFAOYSA-N	-1	0	318.314	0.763	20	30		DCEDRM
C=CCONC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC000874403215	668180971	/nfs/dbraw/zinc/18/09/71/668180971.db2.gz	QIKYXBDOWDTMJW-GHMZBOCLSA-N	-1	0	308.338	0.737	20	30		DCEDRM
COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000758524560	668182035	/nfs/dbraw/zinc/18/20/35/668182035.db2.gz	IGLBVXGCTFVDQC-SNVBAGLBSA-N	-1	0	324.358	0.871	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)nc1	ZINC000759809208	668239450	/nfs/dbraw/zinc/23/94/50/668239450.db2.gz	JOEOGIRHXLRHAG-SNVBAGLBSA-N	-1	0	314.363	0.876	20	30		DCEDRM
N#CCOc1cccc(CC(=O)NCCCc2n[nH]c(=O)[n-]2)c1	ZINC000760649955	668282179	/nfs/dbraw/zinc/28/21/79/668282179.db2.gz	XVFSLPQOIOLJTO-UHFFFAOYSA-N	-1	0	315.333	0.704	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)c1	ZINC000761133069	668308373	/nfs/dbraw/zinc/30/83/73/668308373.db2.gz	SQQIBPYIIYZZAY-GFCCVEGCSA-N	-1	0	321.358	0.030	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCNC(=O)C1	ZINC000761190291	668311881	/nfs/dbraw/zinc/31/18/81/668311881.db2.gz	RBAMFLDWUWLHCA-LLVKDONJSA-N	-1	0	321.358	0.198	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1	ZINC000762047963	668345066	/nfs/dbraw/zinc/34/50/66/668345066.db2.gz	QTDUIRQBIZJRIJ-SNVBAGLBSA-N	-1	0	319.379	0.068	20	30		DCEDRM
CCc1csc(-n2cc(C([O-])=C(C#N)C(=O)NC)cn2)n1	ZINC000762636864	668369198	/nfs/dbraw/zinc/36/91/98/668369198.db2.gz	VABNZZZQUDSALV-SNVBAGLBSA-N	-1	0	303.347	0.960	20	30		DCEDRM
C[C@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000763027933	668392214	/nfs/dbraw/zinc/39/22/14/668392214.db2.gz	FVPFNRJMNDTUPV-GXSJLCMTSA-N	-1	0	300.380	0.987	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1nccn2cc(C)nc12	ZINC000763934178	668426607	/nfs/dbraw/zinc/42/66/07/668426607.db2.gz	XXZDGNULVSUCAH-NSHDSACASA-N	-1	0	315.333	0.513	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000927215851	668455005	/nfs/dbraw/zinc/45/50/05/668455005.db2.gz	BLNWAIRCTHJJTD-UHFFFAOYSA-N	-1	0	323.378	0.129	20	30		DCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000765647399	668503346	/nfs/dbraw/zinc/50/33/46/668503346.db2.gz	BSGFITQNCZXERB-UHFFFAOYSA-N	-1	0	320.330	0.176	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1ccnn1C)OCC	ZINC000765654238	668504367	/nfs/dbraw/zinc/50/43/67/668504367.db2.gz	HYGANXAMWWVUDI-JTQLQIEISA-N	-1	0	301.368	0.596	20	30		DCEDRM
N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1	ZINC000765856096	668512150	/nfs/dbraw/zinc/51/21/50/668512150.db2.gz	LEUPYXUAPGXQRA-CQSZACIVSA-N	-1	0	311.345	0.271	20	30		DCEDRM
C=CCN(C(=O)C(=O)NC[C@@H](CC)C(=O)[O-])[C@@H](C)COC	ZINC000927957116	668539123	/nfs/dbraw/zinc/53/91/23/668539123.db2.gz	IDORTTABPLVBIF-WDEREUQCSA-N	-1	0	300.355	0.263	20	30		DCEDRM
COCCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000766985372	668555803	/nfs/dbraw/zinc/55/58/03/668555803.db2.gz	BKIISZZNOPKDTJ-UHFFFAOYSA-N	-1	0	312.347	0.798	20	30		DCEDRM
O=C([O-])Cn1cc(C=NNCCCOc2ccccc2)nn1	ZINC000768485646	668612147	/nfs/dbraw/zinc/61/21/47/668612147.db2.gz	UMKCROSSXUXGNM-UHFFFAOYSA-N	-1	0	303.322	0.755	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)c1[O-]	ZINC000949071928	668639264	/nfs/dbraw/zinc/63/92/64/668639264.db2.gz	IOOUWYDIYIYOOV-UHFFFAOYSA-N	-1	0	319.365	0.254	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H](C)[C@H]1CCCOC1)C(=O)[O-]	ZINC000929052657	668648191	/nfs/dbraw/zinc/64/81/91/668648191.db2.gz	PRJVIULKTIOCPN-WOPDTQHZSA-N	-1	0	300.355	0.757	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(N(C)C)c(F)c1	ZINC000770098623	668678286	/nfs/dbraw/zinc/67/82/86/668678286.db2.gz	IPQBBQYHJIAUCJ-NSHDSACASA-N	-1	0	307.325	0.977	20	30		DCEDRM
COc1nc(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc(=O)[n-]1	ZINC000770520421	668698272	/nfs/dbraw/zinc/69/82/72/668698272.db2.gz	XMJSXTRIDHSXBY-CQSZACIVSA-N	-1	0	320.305	0.156	20	30		DCEDRM
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000771525009	668742239	/nfs/dbraw/zinc/74/22/39/668742239.db2.gz	MKHACTBPXCXNEO-VHSXEESVSA-N	-1	0	324.358	0.815	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC000772710611	668782073	/nfs/dbraw/zinc/78/20/73/668782073.db2.gz	PNEFLKWOVIXHIS-RQJHMYQMSA-N	-1	0	314.285	0.076	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1	ZINC000772717682	668782354	/nfs/dbraw/zinc/78/23/54/668782354.db2.gz	GKQGMXYAMZAXMY-UHFFFAOYSA-N	-1	0	308.157	0.278	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CN(CC)C(=O)OC(C)(C)C	ZINC000772715862	668782338	/nfs/dbraw/zinc/78/23/38/668782338.db2.gz	XKCNDGPPERIRHV-UHFFFAOYSA-N	-1	0	306.384	0.875	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(OC)c(OC)cc1OC	ZINC000772721269	668782709	/nfs/dbraw/zinc/78/27/09/668782709.db2.gz	KKNHJQFJHNRNGW-UHFFFAOYSA-N	-1	0	315.347	0.958	20	30		DCEDRM
CC1=C(C(=O)Nc2cc(C#N)ccc2[O-])S(=O)(=O)CCO1	ZINC000774079509	668821362	/nfs/dbraw/zinc/82/13/62/668821362.db2.gz	CDKNEKQRHBVJDX-UHFFFAOYSA-N	-1	0	308.315	0.879	20	30		DCEDRM
CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1CCCC1	ZINC000776115150	668871013	/nfs/dbraw/zinc/87/10/13/668871013.db2.gz	IDCVILNPLDZQAJ-GFCCVEGCSA-N	-1	0	315.395	0.431	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CN1CCc2ccccc21	ZINC000776123245	668871409	/nfs/dbraw/zinc/87/14/09/668871409.db2.gz	NCXKGPKYTBMMMY-UHFFFAOYSA-N	-1	0	307.375	0.799	20	30		DCEDRM
C[C@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776123129	668871502	/nfs/dbraw/zinc/87/15/02/668871502.db2.gz	LNKQTAWJGWCATP-JTQLQIEISA-N	-1	0	315.395	0.431	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1	ZINC000776135574	668871668	/nfs/dbraw/zinc/87/16/68/668871668.db2.gz	FXESZBOHCGJYCS-UHFFFAOYSA-N	-1	0	323.334	0.044	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-]	ZINC000776598144	668879025	/nfs/dbraw/zinc/87/90/25/668879025.db2.gz	VYBSCQFRGOPASC-QMMMGPOBSA-N	-1	0	317.319	0.764	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])CCCC1	ZINC000776690132	668880081	/nfs/dbraw/zinc/88/00/81/668880081.db2.gz	MXOPZOOMDPJIKQ-NSHDSACASA-N	-1	0	316.379	0.576	20	30		DCEDRM
COCCOc1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccn1	ZINC000777303890	668886204	/nfs/dbraw/zinc/88/62/04/668886204.db2.gz	IHUDRAFYCQKNHH-GFCCVEGCSA-N	-1	0	305.334	0.954	20	30		DCEDRM
COCCOc1cc(C([O-])=C(C#N)C(=O)NC2CC2)ccn1	ZINC000777304538	668886294	/nfs/dbraw/zinc/88/62/94/668886294.db2.gz	RKDHOOPOERPDAV-GFCCVEGCSA-N	-1	0	303.318	0.708	20	30		DCEDRM
COc1cc(C(C)=NNC2=NC[C@@H](C)N2)cc([N+](=O)[O-])c1[O-]	ZINC000779788325	668936545	/nfs/dbraw/zinc/93/65/45/668936545.db2.gz	XOVZSTUWOZRTLI-SSDOTTSWSA-N	-1	0	307.310	0.970	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000780175932	668973089	/nfs/dbraw/zinc/97/30/89/668973089.db2.gz	KROLCWXPAJFZRW-ZDUSSCGKSA-N	-1	0	310.310	0.815	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cc1	ZINC000780614874	669000516	/nfs/dbraw/zinc/00/05/16/669000516.db2.gz	SBYMVIOHENFDCP-ZDUSSCGKSA-N	-1	0	308.359	0.726	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)OCc2cc(=O)n3[n-]cc(C#N)c3n2)CO1	ZINC000784873516	669226061	/nfs/dbraw/zinc/22/60/61/669226061.db2.gz	BVOMYOQMWIZWLY-RKDXNWHRSA-N	-1	0	302.290	0.775	20	30		DCEDRM
CC[C@H](C(=O)OC)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000784940545	669231470	/nfs/dbraw/zinc/23/14/70/669231470.db2.gz	ZNCSNWNUNXZXGL-SNVBAGLBSA-N	-1	0	318.289	0.549	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2NC(=O)O[C@@H]2C)n1	ZINC000786066041	669290113	/nfs/dbraw/zinc/29/01/13/669290113.db2.gz	CEUNGSHBMFTGOM-NQMVMOMDSA-N	-1	0	323.330	0.668	20	30		DCEDRM
N#CC1(N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C2CC2)CCC1	ZINC000791005175	669586864	/nfs/dbraw/zinc/58/68/64/669586864.db2.gz	PKAMADCPPUNVGB-UHFFFAOYSA-N	-1	0	312.333	0.508	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(C[S@@](C)=O)c1	ZINC000791111668	669594373	/nfs/dbraw/zinc/59/43/73/669594373.db2.gz	WESYNROFXFDLGZ-LJQANCHMSA-N	-1	0	313.400	0.648	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1	ZINC000805948265	669594924	/nfs/dbraw/zinc/59/49/24/669594924.db2.gz	SSPSGOIELUEBJZ-UHFFFAOYSA-N	-1	0	319.364	0.109	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn(C)c1SC	ZINC000791768794	669628761	/nfs/dbraw/zinc/62/87/61/669628761.db2.gz	IUEVTROQEOMPKE-VIFPVBQESA-N	-1	0	310.379	0.617	20	30		DCEDRM
CC(=O)OC(C)(C)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000792364425	669663331	/nfs/dbraw/zinc/66/33/31/669663331.db2.gz	OUTSNRDTXOWDOT-UHFFFAOYSA-N	-1	0	318.289	0.691	20	30		DCEDRM
Cn1ncc2c1nc(N=NC1CCC(=O)NC1(C)C)[n-]c2=O	ZINC000793011817	669697624	/nfs/dbraw/zinc/69/76/24/669697624.db2.gz	FTCQNSNPXUQQTL-UHFFFAOYSA-N	-1	0	303.326	0.525	20	30		DCEDRM
CC[C@H](NN=C(C)c1cccc(S(=O)(=O)NC)c1)C(=O)[O-]	ZINC000793081019	669701531	/nfs/dbraw/zinc/70/15/31/669701531.db2.gz	GYMFNCAUZFBRDT-LBPRGKRZSA-N	-1	0	313.379	0.772	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc(OCC2CC2)cn1	ZINC000793125842	669702969	/nfs/dbraw/zinc/70/29/69/669702969.db2.gz	RBDUVTHMUQEILA-LLVKDONJSA-N	-1	0	318.333	0.350	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnc(OCC2CC2)cn1	ZINC000793126427	669703084	/nfs/dbraw/zinc/70/30/84/669703084.db2.gz	SJMWAFSRSWAGOY-LLVKDONJSA-N	-1	0	300.318	0.866	20	30		DCEDRM
CC(C)c1nn(C)cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793212001	669708065	/nfs/dbraw/zinc/70/80/65/669708065.db2.gz	IPMNRTONCZJFGD-UHFFFAOYSA-N	-1	0	310.379	0.907	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1	ZINC000794905424	669867045	/nfs/dbraw/zinc/86/70/45/669867045.db2.gz	DKYAHVZJMRXZJW-GFCCVEGCSA-N	-1	0	324.358	0.617	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)CCc2cnccn2)c1	ZINC000796626356	669937234	/nfs/dbraw/zinc/93/72/34/669937234.db2.gz	RELNHVOPWDVEMS-UHFFFAOYSA-N	-1	0	316.342	0.786	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)CC1OCCO1	ZINC000797030580	669953612	/nfs/dbraw/zinc/95/36/12/669953612.db2.gz	GPKGJTZZSYQLMP-UHFFFAOYSA-N	-1	0	310.331	0.435	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)[nH]1	ZINC000797029920	669953862	/nfs/dbraw/zinc/95/38/62/669953862.db2.gz	BLDDUOZXTSOAHP-UHFFFAOYSA-N	-1	0	313.335	0.411	20	30		DCEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)o2)cn1	ZINC000797165812	669957746	/nfs/dbraw/zinc/95/77/46/669957746.db2.gz	TWOVKDTZBHCHOG-UHFFFAOYSA-N	-1	0	307.287	0.674	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)Cc1c(C)nn(C)c1C	ZINC000798203141	669991932	/nfs/dbraw/zinc/99/19/32/669991932.db2.gz	UBFHDVWBSMDHQW-SNVBAGLBSA-N	-1	0	311.407	0.685	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000798202716	669992060	/nfs/dbraw/zinc/99/20/60/669992060.db2.gz	KTYANGCFUXMOME-NSHDSACASA-N	-1	0	324.358	0.097	20	30		DCEDRM
C=CCN1CC[C@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=O	ZINC000798658360	670018098	/nfs/dbraw/zinc/01/80/98/670018098.db2.gz	XHCYVGQOXFBWQA-QMMMGPOBSA-N	-1	0	322.283	0.774	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000799104328	670040567	/nfs/dbraw/zinc/04/05/67/670040567.db2.gz	ZLFCCXOZWSICEX-SNVBAGLBSA-N	-1	0	319.386	0.738	20	30		DCEDRM
O=C([O-])Cn1cc(C=NN2CC(=O)NC2=O)c2ccccc21	ZINC000799872260	670075318	/nfs/dbraw/zinc/07/53/18/670075318.db2.gz	PLLKQPNFVLBAJY-UHFFFAOYSA-N	-1	0	300.274	0.612	20	30		DCEDRM
O=C([O-])Cn1cc(C=NN2C(=O)CNC2=O)c2ccccc21	ZINC000799883804	670075535	/nfs/dbraw/zinc/07/55/35/670075535.db2.gz	RVJAMPBEYGXSRJ-UHFFFAOYSA-N	-1	0	300.274	0.612	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)c1[O-]	ZINC000950758048	670122452	/nfs/dbraw/zinc/12/24/52/670122452.db2.gz	DGYAMKXWRTUMQY-GFCCVEGCSA-N	-1	0	316.361	0.558	20	30		DCEDRM
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000802164208	670154617	/nfs/dbraw/zinc/15/46/17/670154617.db2.gz	WEGIHCBDOITMID-VHSXEESVSA-N	-1	0	324.358	0.815	20	30		DCEDRM
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000802164205	670154769	/nfs/dbraw/zinc/15/47/69/670154769.db2.gz	WEGIHCBDOITMID-NXEZZACHSA-N	-1	0	324.358	0.815	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C)c([N+](=O)[O-])c1	ZINC000193414058	670279936	/nfs/dbraw/zinc/27/99/36/670279936.db2.gz	HNNZXSFCAQDMDC-NSHDSACASA-N	-1	0	305.290	0.988	20	30		DCEDRM
Cn1cc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)c(=O)n(C)c1=O	ZINC000806558467	670321138	/nfs/dbraw/zinc/32/11/38/670321138.db2.gz	DFQVEDCRHFYEMQ-VOTSOKGWSA-N	-1	0	314.297	0.678	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(=O)N1	ZINC000808996822	670434885	/nfs/dbraw/zinc/43/48/85/670434885.db2.gz	KHFSBGBLESTWJZ-VIFPVBQESA-N	-1	0	301.368	0.041	20	30		DCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCO2	ZINC000810528990	670489075	/nfs/dbraw/zinc/48/90/75/670489075.db2.gz	ZGDZDWAVFRUDNN-LLVKDONJSA-N	-1	0	320.349	0.529	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)c1nnc2ccccc2n1	ZINC000810636558	670492468	/nfs/dbraw/zinc/49/24/68/670492468.db2.gz	YTKNLYXGHQPCSO-SECBINFHSA-N	-1	0	306.285	0.964	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1nnc2ccccc2n1	ZINC000810656211	670492889	/nfs/dbraw/zinc/49/28/89/670492889.db2.gz	CKHDHFJROQMPEQ-UHFFFAOYSA-N	-1	0	305.319	0.388	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc2nccnc2cc1F	ZINC000810769973	670496520	/nfs/dbraw/zinc/49/65/20/670496520.db2.gz	FNAQQMBLAMFMHO-UHFFFAOYSA-N	-1	0	307.306	0.852	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)C	ZINC000810771497	670496533	/nfs/dbraw/zinc/49/65/33/670496533.db2.gz	LBIADTPJYIFAAA-NSHDSACASA-N	-1	0	300.380	0.103	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1OC	ZINC000810773063	670496707	/nfs/dbraw/zinc/49/67/07/670496707.db2.gz	QAQDHJNMWRXHCV-UHFFFAOYSA-N	-1	0	312.303	0.686	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1)n1cccn1	ZINC000810774251	670496984	/nfs/dbraw/zinc/49/69/84/670496984.db2.gz	FQNZAPFHDLECDE-CQSZACIVSA-N	-1	0	317.370	0.942	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000810776825	670497221	/nfs/dbraw/zinc/49/72/21/670497221.db2.gz	JUSLKRUKDWMWHS-UHFFFAOYSA-N	-1	0	308.315	0.100	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnc(O[C@H]2CCOC2)c1	ZINC000810775398	670497233	/nfs/dbraw/zinc/49/72/33/670497233.db2.gz	DOIRTJDPJMXLAS-LBPRGKRZSA-N	-1	0	324.358	0.332	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(-n2ccnn2)c1	ZINC000810777273	670497251	/nfs/dbraw/zinc/49/72/51/670497251.db2.gz	YEQJVUJBXGISQL-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](CCSC)NC(=O)CC	ZINC000810781752	670497807	/nfs/dbraw/zinc/49/78/07/670497807.db2.gz	CQHRNWGJZQBQKY-JTQLQIEISA-N	-1	0	320.436	0.104	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)c(F)c1	ZINC000810781847	670497828	/nfs/dbraw/zinc/49/78/28/670497828.db2.gz	WAGGBHLFMBVSSW-UHFFFAOYSA-N	-1	0	313.306	0.695	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2)n1	ZINC000810781366	670497834	/nfs/dbraw/zinc/49/78/34/670497834.db2.gz	PVZYEEAJPUMFQB-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1	ZINC000810783870	670498004	/nfs/dbraw/zinc/49/80/04/670498004.db2.gz	IJMOCWCGMDFVIL-UHFFFAOYSA-N	-1	0	322.386	0.205	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C1CCCCC1	ZINC000810784841	670498015	/nfs/dbraw/zinc/49/80/15/670498015.db2.gz	POPIUJPKRGMPSJ-NSHDSACASA-N	-1	0	314.407	0.541	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=O)n2C	ZINC000810784035	670498031	/nfs/dbraw/zinc/49/80/31/670498031.db2.gz	PLCNSUVVRNHFLZ-UHFFFAOYSA-N	-1	0	307.331	0.362	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000810880375	670499453	/nfs/dbraw/zinc/49/94/53/670499453.db2.gz	FHKPOLYPNFBVHZ-UHFFFAOYSA-N	-1	0	317.370	0.757	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCSCC(=O)OC)CC1	ZINC000810986408	670502249	/nfs/dbraw/zinc/50/22/49/670502249.db2.gz	YNRUGBDCEVKITB-UHFFFAOYSA-N	-1	0	321.420	0.837	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)OCCOCC)CC1	ZINC000810987410	670502355	/nfs/dbraw/zinc/50/23/55/670502355.db2.gz	LISJVSUZIRHHRF-NSHDSACASA-N	-1	0	305.396	0.983	20	30		DCEDRM
C#CCO[N-]C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000812785629	670595897	/nfs/dbraw/zinc/59/58/97/670595897.db2.gz	ZURNPAPSCKMPSC-UHFFFAOYSA-N	-1	0	309.303	0.467	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000812786135	670596015	/nfs/dbraw/zinc/59/60/15/670596015.db2.gz	ALWSVWPPVVQQEN-SRVKXCTJSA-N	-1	0	324.402	0.574	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ncn(C(C)(C)C)n1	ZINC000813058820	670609010	/nfs/dbraw/zinc/60/90/10/670609010.db2.gz	MPXXSIQBMKLOOP-LLVKDONJSA-N	-1	0	321.381	0.898	20	30		DCEDRM
C#CCOc1ccc(C(=O)Nc2nn3c([n-]2)nc(C)cc3=O)cc1	ZINC000813377618	670623539	/nfs/dbraw/zinc/62/35/39/670623539.db2.gz	IGTMDUAZTQPXNJ-UHFFFAOYSA-N	-1	0	323.312	0.990	20	30		DCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)cnn1C	ZINC000813981554	670667479	/nfs/dbraw/zinc/66/74/79/670667479.db2.gz	FCEFCRXEFGNMBP-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
CC(C)n1ccc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)n1	ZINC000813981124	670667510	/nfs/dbraw/zinc/66/75/10/670667510.db2.gz	UZUYJAZTMZMLFF-UHFFFAOYSA-N	-1	0	319.346	0.849	20	30		DCEDRM
C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980177	670667822	/nfs/dbraw/zinc/66/78/22/670667822.db2.gz	UFBTYLWMPHABHD-VIFPVBQESA-N	-1	0	309.347	0.573	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)nc2)c1	ZINC000813983403	670668237	/nfs/dbraw/zinc/66/82/37/670668237.db2.gz	TUFXBFUERJWVNH-UHFFFAOYSA-N	-1	0	313.298	0.339	20	30		DCEDRM
CC(C)[C@H](Cc1ccccc1)NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000814226696	670682168	/nfs/dbraw/zinc/68/21/68/670682168.db2.gz	HJSJJNOFJKHMAM-NSHDSACASA-N	-1	0	302.334	0.565	20	30		DCEDRM
CCn1ncn(N=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)c1=O	ZINC000814235210	670682754	/nfs/dbraw/zinc/68/27/54/670682754.db2.gz	ZOWULWNFDWWFAB-SNVBAGLBSA-N	-1	0	304.306	0.799	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CC1CCN(S(C)(=O)=O)CC1	ZINC000848876330	670737567	/nfs/dbraw/zinc/73/75/67/670737567.db2.gz	LZMPWRXOVNHCSU-UHFFFAOYSA-N	-1	0	318.395	0.147	20	30		DCEDRM
N#Cc1cccc(C2(NC(=O)c3cc(=O)[nH][n-]3)CCOCC2)c1	ZINC000855875882	670762069	/nfs/dbraw/zinc/76/20/69/670762069.db2.gz	PAWKDBIGIFDDKG-UHFFFAOYSA-N	-1	0	312.329	0.556	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc2c1OCCO2	ZINC000849219514	670765742	/nfs/dbraw/zinc/76/57/42/670765742.db2.gz	ZNDYQPHLLSLYPX-UHFFFAOYSA-N	-1	0	311.315	0.166	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(C(F)F)c(C)nn1C	ZINC000849219217	670765814	/nfs/dbraw/zinc/76/58/14/670765814.db2.gz	NVOYRBCOZUXEOK-UHFFFAOYSA-N	-1	0	321.305	0.375	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2	ZINC000849219413	670765978	/nfs/dbraw/zinc/76/59/78/670765978.db2.gz	UEWRQNLAAICADQ-SNVBAGLBSA-N	-1	0	309.343	0.719	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)N(C)C)cc1	ZINC000849219604	670766767	/nfs/dbraw/zinc/76/67/67/670766767.db2.gz	QUVKLCOLBILFSA-UHFFFAOYSA-N	-1	0	324.358	0.097	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@H](CCSC)NS(=O)(=O)CC	ZINC000856031290	670777307	/nfs/dbraw/zinc/77/73/07/670777307.db2.gz	KBLHXCHDBJPDPV-JTQLQIEISA-N	-1	0	310.441	0.671	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)n1C	ZINC000816005295	670779773	/nfs/dbraw/zinc/77/97/73/670779773.db2.gz	HFUINKGSJSFDFT-UHFFFAOYSA-N	-1	0	313.335	0.175	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)C2(C)C	ZINC000816056501	670783997	/nfs/dbraw/zinc/78/39/97/670783997.db2.gz	VEOISOQMUQKJRO-UHFFFAOYSA-N	-1	0	320.370	0.999	20	30		DCEDRM
C#C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])[C@H]1CCCO1	ZINC000849387097	670785969	/nfs/dbraw/zinc/78/59/69/670785969.db2.gz	JTTSAZUNYLCDGY-GXSJLCMTSA-N	-1	0	311.319	0.449	20	30		DCEDRM
C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N	ZINC000816128464	670789215	/nfs/dbraw/zinc/78/92/15/670789215.db2.gz	LCUMELOTJCMRIF-XCBNKYQSSA-N	-1	0	309.303	0.927	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)o1	ZINC000816205507	670791706	/nfs/dbraw/zinc/79/17/06/670791706.db2.gz	ZJNYDWCNDMFZHY-UHFFFAOYSA-N	-1	0	322.302	0.249	20	30		DCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC000816206886	670791940	/nfs/dbraw/zinc/79/19/40/670791940.db2.gz	HCTZHULPSFYRDZ-UHFFFAOYSA-N	-1	0	312.351	0.410	20	30		DCEDRM
O=C(C/N=C1/NS(=O)(=O)c2ccccc21)[N-]OCC1CCC1	ZINC000856345179	670806857	/nfs/dbraw/zinc/80/68/57/670806857.db2.gz	UOYMSTUSLDJCJE-UHFFFAOYSA-N	-1	0	323.374	0.573	20	30		DCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1n[n-]c2ccccc2c1=O	ZINC000816755614	670861054	/nfs/dbraw/zinc/86/10/54/670861054.db2.gz	DZUGWJUTDYYQKD-JTQLQIEISA-N	-1	0	302.290	0.445	20	30		DCEDRM
COC[C@@H](OC)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000850197907	670893654	/nfs/dbraw/zinc/89/36/54/670893654.db2.gz	BHLRLPATSSWNQY-GXSJLCMTSA-N	-1	0	312.347	0.832	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnc2n1CCC2	ZINC000850752471	670937966	/nfs/dbraw/zinc/93/79/66/670937966.db2.gz	OLFQLPSJYUZTDA-NSHDSACASA-N	-1	0	304.350	0.695	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)oc1C	ZINC000850753041	670938244	/nfs/dbraw/zinc/93/82/44/670938244.db2.gz	VJYGDEPUDXQSKT-NSHDSACASA-N	-1	0	322.317	0.850	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)ccc1C#N	ZINC000850788198	670940712	/nfs/dbraw/zinc/94/07/12/670940712.db2.gz	PMVAGFSELOYEBZ-UHFFFAOYSA-N	-1	0	309.347	0.637	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C(C)(C)C	ZINC000850788552	670940791	/nfs/dbraw/zinc/94/07/91/670940791.db2.gz	YVXAHRMXURVPHS-SNVBAGLBSA-N	-1	0	303.318	0.882	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000817883194	670950073	/nfs/dbraw/zinc/95/00/73/670950073.db2.gz	FCFVDGSVVHYJJU-UHFFFAOYSA-N	-1	0	322.292	0.709	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CCc1ccccc1F	ZINC000851325666	670978423	/nfs/dbraw/zinc/97/84/23/670978423.db2.gz	BFJQHGCATHVZBI-UHFFFAOYSA-N	-1	0	313.350	0.854	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851500850	670993194	/nfs/dbraw/zinc/99/31/94/670993194.db2.gz	XPRYIBYJEUWXSG-SNVBAGLBSA-N	-1	0	309.384	0.075	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)N1CCc2c(CC#N)cccc2C1	ZINC000858588921	671018905	/nfs/dbraw/zinc/01/89/05/671018905.db2.gz	UVPVEGJFYIEJSL-UHFFFAOYSA-N	-1	0	316.361	0.888	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000818656173	671041599	/nfs/dbraw/zinc/04/15/99/671041599.db2.gz	CCWSOLLZOSIVHZ-NSHDSACASA-N	-1	0	314.407	0.332	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)NCC(CC)(CC)C(=O)[O-])[C@@H]1CCCO1	ZINC000818657957	671042354	/nfs/dbraw/zinc/04/23/54/671042354.db2.gz	NCYATTLJYQUVBG-RYUDHWBXSA-N	-1	0	324.377	0.291	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819954866	671149400	/nfs/dbraw/zinc/14/94/00/671149400.db2.gz	CDHTVYLLYJIVJB-WFASDCNBSA-N	-1	0	306.366	0.683	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)c(C(=O)OC)o1	ZINC000860467466	671211577	/nfs/dbraw/zinc/21/15/77/671211577.db2.gz	BLCMLNFUNJXZTB-SECBINFHSA-N	-1	0	308.290	0.460	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc2c(c1)NC(=O)CN2C	ZINC000860471273	671211821	/nfs/dbraw/zinc/21/18/21/671211821.db2.gz	GJMIURGKJYBAID-SNVBAGLBSA-N	-1	0	313.317	0.095	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cn1	ZINC000860672408	671229001	/nfs/dbraw/zinc/22/90/01/671229001.db2.gz	UHAAGJUYJZGATC-UHFFFAOYSA-N	-1	0	318.358	0.636	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C)nn1	ZINC000821107662	671254299	/nfs/dbraw/zinc/25/42/99/671254299.db2.gz	HULIPZZTUKILJF-UHFFFAOYSA-N	-1	0	324.366	0.015	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000835031031	671786418	/nfs/dbraw/zinc/78/64/18/671786418.db2.gz	DHQDKVSTHXFYKP-OLZOCXBDSA-N	-1	0	306.343	0.954	20	30		DCEDRM
C=CCOc1ccc(CC(=O)[N-]S(=O)(=O)CCOC)cc1	ZINC000835152996	671789315	/nfs/dbraw/zinc/78/93/15/671789315.db2.gz	ZESQIZNKFPKLDI-UHFFFAOYSA-N	-1	0	313.375	0.886	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)CCOc1ccccc1	ZINC000835186880	671790361	/nfs/dbraw/zinc/79/03/61/671790361.db2.gz	KTRAWBHQYTZNJQ-GFCCVEGCSA-N	-1	0	311.359	0.550	20	30		DCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CCC#N)NC(=O)OC(C)(C)C	ZINC000835408344	671795357	/nfs/dbraw/zinc/79/53/57/671795357.db2.gz	IDOIJZCPTWJTKS-VIFPVBQESA-N	-1	0	319.383	0.649	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1nc(CC)cs1	ZINC000835593015	671800778	/nfs/dbraw/zinc/80/07/78/671800778.db2.gz	MNBGCADHVIBWFK-UHFFFAOYSA-N	-1	0	302.377	0.550	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cn1	ZINC000836042605	671815854	/nfs/dbraw/zinc/81/58/54/671815854.db2.gz	AUPDSHWPKATEDA-ZJUUUORDSA-N	-1	0	300.311	0.617	20	30		DCEDRM
C=CCO[N-]C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O	ZINC000837043820	671843329	/nfs/dbraw/zinc/84/33/29/671843329.db2.gz	TUZFEFMIXAXJRO-INIZCTEOSA-N	-1	0	317.345	0.996	20	30		DCEDRM
C=CCO[N-]C(=O)[C@@H](CC)Nc1nnnn1-c1ccccc1	ZINC000837046203	671844119	/nfs/dbraw/zinc/84/41/19/671844119.db2.gz	GRGRCWMBRVZWNE-GFCCVEGCSA-N	-1	0	302.338	0.509	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cn(C3CCC3)nn2)CC1	ZINC000842753751	672034446	/nfs/dbraw/zinc/03/44/46/672034446.db2.gz	JAMQNGGQLAWTTE-UHFFFAOYSA-N	-1	0	309.351	0.366	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCCO2	ZINC000842792993	672037892	/nfs/dbraw/zinc/03/78/92/672037892.db2.gz	JNWNTLXMCHEDBF-UHFFFAOYSA-N	-1	0	308.359	0.914	20	30		DCEDRM
C[C@@H]1CCN(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)C1	ZINC000844817741	672204505	/nfs/dbraw/zinc/20/45/05/672204505.db2.gz	PIGFODRJYHUMGK-LLVKDONJSA-N	-1	0	300.380	0.373	20	30		DCEDRM
Cc1nnnn1-c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC000845442054	672248225	/nfs/dbraw/zinc/24/82/25/672248225.db2.gz	JZEQRCOMGAYPBZ-ZDUSSCGKSA-N	-1	0	310.317	0.572	20	30		DCEDRM
CO[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C(F)(F)F	ZINC000845509968	672254421	/nfs/dbraw/zinc/25/44/21/672254421.db2.gz	CMOVENMRUWWMGG-ZETCQYMHSA-N	-1	0	314.285	0.704	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000846003046	672287827	/nfs/dbraw/zinc/28/78/27/672287827.db2.gz	QOZVYNXKMCKWBV-UHFFFAOYSA-N	-1	0	315.326	0.184	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1	ZINC000846147627	672297376	/nfs/dbraw/zinc/29/73/76/672297376.db2.gz	SYUNWZFMTZTBPQ-UHFFFAOYSA-N	-1	0	303.318	0.986	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(C(=O)N(C)OC)cc1	ZINC000846147377	672297590	/nfs/dbraw/zinc/29/75/90/672297590.db2.gz	XLGSZGKFMQGVPK-UHFFFAOYSA-N	-1	0	321.333	0.882	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1c(OC)ncnc1N(C)C	ZINC000846145805	672297614	/nfs/dbraw/zinc/29/76/14/672297614.db2.gz	IAFKPTNTUQFIAU-UHFFFAOYSA-N	-1	0	309.326	0.114	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000846493293	672318102	/nfs/dbraw/zinc/31/81/02/672318102.db2.gz	UNICURSZAMUUOV-AWEZNQCLSA-N	-1	0	313.354	0.432	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)OC	ZINC000841541805	685365103	/nfs/dbraw/zinc/36/51/03/685365103.db2.gz	XOIVXQBRFUNFQF-ZDUSSCGKSA-N	-1	0	324.333	0.682	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2(C)CCN(C(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC000956340808	686683195	/nfs/dbraw/zinc/68/31/95/686683195.db2.gz	JVCSQOLUMBVCTF-SECBINFHSA-N	-1	0	319.365	0.694	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001014467438	692025573	/nfs/dbraw/zinc/02/55/73/692025573.db2.gz	GMXYRLXBPUSBIO-TUAOUCFPSA-N	-1	0	321.381	0.182	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@]3(C2)CCCN(CC#N)C3)c1[O-]	ZINC001040166990	694503888	/nfs/dbraw/zinc/50/38/88/694503888.db2.gz	SXOVWAHHJZAKDG-HNNXBMFYSA-N	-1	0	303.366	0.875	20	30		DCEDRM
C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001017705269	692967797	/nfs/dbraw/zinc/96/77/97/692967797.db2.gz	XHOLBQKIUNTAMR-AOOOYVTPSA-N	-1	0	305.338	0.148	20	30		DCEDRM
Cc1nc(NC(=N)SCCS(=O)(=O)[O-])cnc1C#N	ZINC001157326523	1159080583	/nfs/dbraw/zinc/08/05/83/1159080583.db2.gz	WEMDQOOSUNRNFA-UHFFFAOYSA-N	-1	0	301.353	0.624	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H](C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001571643949	1162873254	/nfs/dbraw/zinc/87/32/54/1162873254.db2.gz	XKDVNYXTRSEENV-GFCCVEGCSA-N	-1	0	319.409	0.886	20	30		DCEDRM
CN(CCCCCCNCC#N)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001691941706	1157781614	/nfs/dbraw/zinc/78/16/14/1157781614.db2.gz	SDWCAXDQUDAEOY-UHFFFAOYSA-N	-1	0	308.342	0.028	20	30		DCEDRM
N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(C(N)=O)nc1	ZINC000129848069	1158149325	/nfs/dbraw/zinc/14/93/25/1158149325.db2.gz	NYIHLHQVHNZTDB-ZDUSSCGKSA-N	-1	0	322.324	0.819	20	30		DCEDRM
C[C@@H]1CCC[C@@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001448311154	1159730960	/nfs/dbraw/zinc/73/09/60/1159730960.db2.gz	XUCQBUULPBTKQT-GHMZBOCLSA-N	-1	0	304.350	0.763	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC001558731710	1159862403	/nfs/dbraw/zinc/86/24/03/1159862403.db2.gz	CDUFAKSNCBXMPN-SNVBAGLBSA-N	-1	0	308.359	0.668	20	30		DCEDRM
CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001566123534	1159967266	/nfs/dbraw/zinc/96/72/66/1159967266.db2.gz	OHGKLGTXIRXFKE-LBPRGKRZSA-N	-1	0	321.381	0.026	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@@H]2CCCN2CC#N)cc1=O	ZINC001567371207	1160332044	/nfs/dbraw/zinc/33/20/44/1160332044.db2.gz	HDNQOCSXKDNLSJ-AWEZNQCLSA-N	-1	0	319.409	0.479	20	30		DCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(C#N)cc2OC)C1=O	ZINC001568440281	1160647310	/nfs/dbraw/zinc/64/73/10/1160647310.db2.gz	RAPMLLNQNWSNQY-HNNXBMFYSA-N	-1	0	316.317	0.932	20	30		DCEDRM
C=CCCC(=O)N[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)C1CCCC1	ZINC001569600634	1161161397	/nfs/dbraw/zinc/16/13/97/1161161397.db2.gz	IEIWZPCYGOGXST-ZDUSSCGKSA-N	-1	0	321.425	0.839	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCC2N=NC(=O)N2C1)C(=O)[O-]	ZINC001573308496	1161557547	/nfs/dbraw/zinc/55/75/47/1161557547.db2.gz	XUQBODCDUNEJDI-YUMQZZPRSA-N	-1	0	314.729	0.258	20	30		DCEDRM
C[S@](=O)C1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)nc2)CC1	ZINC001574097471	1163635222	/nfs/dbraw/zinc/63/52/22/1163635222.db2.gz	NITMOKMEIXLNGJ-QFIPXVFZSA-N	-1	0	321.358	0.391	20	30		DCEDRM
N#CCc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])C3(COC3)C2)n1	ZINC001574242278	1163672376	/nfs/dbraw/zinc/67/23/76/1163672376.db2.gz	WNPIVZFJWVKXDV-NSHDSACASA-N	-1	0	316.317	0.713	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)Nc2ccn3ncc(C(=O)[O-])c3c2)CCO1	ZINC001574241253	1163672437	/nfs/dbraw/zinc/67/24/37/1163672437.db2.gz	JTJBMLPMWRJFJB-SNVBAGLBSA-N	-1	0	315.289	0.789	20	30		DCEDRM
N#CCc1ccnc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)c1	ZINC001574242542	1163672591	/nfs/dbraw/zinc/67/25/91/1163672591.db2.gz	YSGPHQUPYNLKCB-WDEREUQCSA-N	-1	0	319.321	0.240	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO	ZINC001574241806	1163672641	/nfs/dbraw/zinc/67/26/41/1163672641.db2.gz	RRGSENSRRUWHAS-ZIAGYGMSSA-N	-1	0	317.345	0.382	20	30		DCEDRM
N#C[C@@]1(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])CCCOC1	ZINC001574240976	1163672713	/nfs/dbraw/zinc/67/27/13/1163672713.db2.gz	CVJMGXOZPZOZJD-WFASDCNBSA-N	-1	0	303.318	0.514	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(C[N@@H+](CC(=O)[O-])C1CCC1)cc2=O	ZINC001574249020	1163675134	/nfs/dbraw/zinc/67/51/34/1163675134.db2.gz	PNERNNSPALDEFK-UHFFFAOYSA-N	-1	0	301.306	0.746	20	30		DCEDRM
CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC001574288632	1163684621	/nfs/dbraw/zinc/68/46/21/1163684621.db2.gz	MFPWAAWFCFHFIQ-VIFPVBQESA-N	-1	0	315.341	0.273	20	30		DCEDRM
CC1(C)CO[C@@H](CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)C1	ZINC001575737797	1164125720	/nfs/dbraw/zinc/12/57/20/1164125720.db2.gz	DPAMFEYAHHRXQM-ZETCQYMHSA-N	-1	0	316.325	0.605	20	30		DCEDRM
CCOC(=O)CC[C@@H](C)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001578245553	1164964020	/nfs/dbraw/zinc/96/40/20/1164964020.db2.gz	WMTQXKAWZMWQAG-MRVPVSSYSA-N	-1	0	316.325	0.672	20	30		DCEDRM
CN(C)c1ncccc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001579001730	1165185846	/nfs/dbraw/zinc/18/58/46/1165185846.db2.gz	SSJGOVOARVEQNS-UHFFFAOYSA-N	-1	0	324.308	0.175	20	30		DCEDRM
CN(CCc1nccs1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579232911	1165247167	/nfs/dbraw/zinc/24/71/67/1165247167.db2.gz	WDHGMHAKZZGCGU-UHFFFAOYSA-N	-1	0	313.350	0.664	20	30		DCEDRM
COC[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)[C@H]1CCCO1	ZINC001579699557	1165379923	/nfs/dbraw/zinc/37/99/23/1165379923.db2.gz	KXVFKGCBRXNPSZ-NXEZZACHSA-N	-1	0	316.325	0.134	20	30		DCEDRM
C[S@](=O)[C@@H]1CC[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001580172141	1165527853	/nfs/dbraw/zinc/52/78/53/1165527853.db2.gz	MFZGNGWVCKLYFL-PVJNZWLOSA-N	-1	0	318.366	0.240	20	30		DCEDRM
Cc1nc(CCNc2cnc(C#N)c(-c3nnn[n-]3)n2)cs1	ZINC001581450789	1165830134	/nfs/dbraw/zinc/83/01/34/1165830134.db2.gz	UPUPFKUJQNJRNM-UHFFFAOYSA-N	-1	0	313.350	0.948	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(F)c(F)c2)[n-]c1-c1nn[nH]n1	ZINC001581860927	1165894414	/nfs/dbraw/zinc/89/44/14/1165894414.db2.gz	ZWMHYIPKUTWQOD-UHFFFAOYSA-N	-1	0	316.231	0.992	20	30		DCEDRM
N#Cc1ccc(F)cc1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O	ZINC001581870975	1165896866	/nfs/dbraw/zinc/89/68/66/1165896866.db2.gz	BIQHGFIGBNKJJJ-UHFFFAOYSA-N	-1	0	313.252	0.188	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)nc1-c1nnn[n-]1	ZINC001581883381	1165902660	/nfs/dbraw/zinc/90/26/60/1165902660.db2.gz	XXRGBAWEQIHLDP-NGZCFLSTSA-N	-1	0	312.337	0.898	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)c2cn[nH]n2)CC1	ZINC001582726262	1166070674	/nfs/dbraw/zinc/07/06/74/1166070674.db2.gz	OUIYZOOGUNKFIR-IJLUTSLNSA-N	-1	0	319.365	0.000	20	30		DCEDRM
C#CC(C)(C)N(C)S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001588325230	1166521287	/nfs/dbraw/zinc/52/12/87/1166521287.db2.gz	HBNXFOOCGLJWHW-UHFFFAOYSA-N	-1	0	306.351	0.294	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1c[nH]c(C(F)(F)F)c1)C(=O)[O-]	ZINC001588423400	1166553136	/nfs/dbraw/zinc/55/31/36/1166553136.db2.gz	FOIHBJRQPMRZDF-SSDOTTSWSA-N	-1	0	310.253	0.788	20	30		DCEDRM
C=C(C)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC001588429205	1166554053	/nfs/dbraw/zinc/55/40/53/1166554053.db2.gz	QWDYDONOKNFBDI-UHFFFAOYSA-N	-1	0	315.305	0.999	20	30		DCEDRM
C=C[C@H](CO)NC(=O)NCCc1ccc(-c2nn[nH]n2)cc1	ZINC001588728253	1166582476	/nfs/dbraw/zinc/58/24/76/1166582476.db2.gz	PQHFSVZMALIEOT-GFCCVEGCSA-N	-1	0	302.338	0.255	20	30		DCEDRM
C[C@H](C(=O)N[C@@H](C#N)C1CCCC1)n1cnc(-c2nnn[n-]2)n1	ZINC001588966246	1166625017	/nfs/dbraw/zinc/62/50/17/1166625017.db2.gz	XGNBZCXHDWWZFN-SCZZXKLOSA-N	-1	0	315.341	0.218	20	30		DCEDRM
C[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)[C@@H]1CCCO1	ZINC001589024953	1166629239	/nfs/dbraw/zinc/62/92/39/1166629239.db2.gz	GCIKFPNJIVEPBY-XPUUQOCRSA-N	-1	0	302.298	0.215	20	30		DCEDRM
C[C@H](Oc1ccccc1)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001590029700	1166756800	/nfs/dbraw/zinc/75/68/00/1166756800.db2.gz	YDHVRRUPKGDISP-QMMMGPOBSA-N	-1	0	324.304	0.867	20	30		DCEDRM
C[C@@H]1C[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)c2ncnn21	ZINC001590207874	1166816389	/nfs/dbraw/zinc/81/63/89/1166816389.db2.gz	BHKWKSGRJMBDES-RQJHMYQMSA-N	-1	0	309.297	0.238	20	30		DCEDRM
CCCCCCN(O)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001590594298	1166945629	/nfs/dbraw/zinc/94/56/29/1166945629.db2.gz	JTWXXDBSTISQBH-SECBINFHSA-N	-1	0	308.346	0.817	20	30		DCEDRM
COC(=O)[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)C(C)(C)C	ZINC001591276514	1167196356	/nfs/dbraw/zinc/19/63/56/1167196356.db2.gz	DXJSZQDFKOVPCU-SNVBAGLBSA-N	-1	0	316.325	0.528	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1C[C@@H]1C[C@H]2CCC[C@H]2O1	ZINC001592682059	1167600660	/nfs/dbraw/zinc/60/06/60/1167600660.db2.gz	OHFBLUNBNUVTKQ-KHQFGBGNSA-N	-1	0	300.326	0.475	20	30		DCEDRM
N#Cc1ncc(NCc2nncn2C2CC2)nc1-c1nnn[n-]1	ZINC001592708894	1167609266	/nfs/dbraw/zinc/60/92/66/1167609266.db2.gz	YIXRJUYZUWFJAI-UHFFFAOYSA-N	-1	0	309.297	0.067	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)c(C(=O)[O-])[nH]1	ZINC001600244712	1168146909	/nfs/dbraw/zinc/14/69/09/1168146909.db2.gz	WMKWIHXGNMQRRG-CYBMUJFWSA-N	-1	0	308.269	0.424	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c(C(=O)[O-])s1	ZINC001600245760	1168147173	/nfs/dbraw/zinc/14/71/73/1168147173.db2.gz	UZOMFVSOUSEESU-MRVPVSSYSA-N	-1	0	323.330	0.444	20	30		DCEDRM
Cc1cc(NC(=O)N[C@@H]2CCCN(O)C2=O)ncc1C(=O)[O-]	ZINC001600267922	1168154327	/nfs/dbraw/zinc/15/43/27/1168154327.db2.gz	BDWWTJNLVLKJIR-SECBINFHSA-N	-1	0	308.294	0.590	20	30		DCEDRM
Cc1nc(N(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])ccc1C#N	ZINC001600709075	1168260149	/nfs/dbraw/zinc/26/01/49/1168260149.db2.gz	WOVPRVYODQVMIJ-NWDGAFQWSA-N	-1	0	302.334	0.535	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001600821965	1168476294	/nfs/dbraw/zinc/47/62/94/1168476294.db2.gz	MESLEHRWVOOAMT-LLVKDONJSA-N	-1	0	306.274	0.692	20	30		DCEDRM
Cn1c(-c2ccnc(C#N)c2)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001600893121	1168495971	/nfs/dbraw/zinc/49/59/71/1168495971.db2.gz	SMWUWJCSOPYJHQ-AWEZNQCLSA-N	-1	0	316.296	0.752	20	30		DCEDRM
Cn1c2cccc(C(=O)N(CC#N)CCC(=O)[O-])c2oc1=O	ZINC001600897217	1168498046	/nfs/dbraw/zinc/49/80/46/1168498046.db2.gz	LWOHGTVEVONRKI-UHFFFAOYSA-N	-1	0	303.274	0.572	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)CCO1	ZINC001601060911	1168578933	/nfs/dbraw/zinc/57/89/33/1168578933.db2.gz	MKHCOKMDNRMSMY-SECBINFHSA-N	-1	0	324.724	0.867	20	30		DCEDRM
N#CC[C@H](NC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1)C(F)(F)F	ZINC001601061918	1168579011	/nfs/dbraw/zinc/57/90/11/1168579011.db2.gz	JMECCOOBWYYWRT-HLTSFMKQSA-N	-1	0	323.271	0.867	20	30		DCEDRM
N#CCCc1ccc(NC(=O)NCC(=O)NCC(=O)[O-])cc1	ZINC001601068948	1168580355	/nfs/dbraw/zinc/58/03/55/1168580355.db2.gz	ZKGDLZIJMWLLBB-UHFFFAOYSA-N	-1	0	304.306	0.465	20	30		DCEDRM
N#CCCn1ccc(NC(=O)Nc2ccc(C(=O)[O-])nn2)n1	ZINC001601070652	1168581256	/nfs/dbraw/zinc/58/12/56/1168581256.db2.gz	VANJZNMJCMQSGS-UHFFFAOYSA-N	-1	0	301.266	0.929	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])c1	ZINC001601074187	1168581587	/nfs/dbraw/zinc/58/15/87/1168581587.db2.gz	LKRNFPDARBEJRW-ZDUSSCGKSA-N	-1	0	318.329	0.834	20	30		DCEDRM
N#Cc1c(NC(=O)Cn2cc(C(=O)[O-])nn2)n[nH]c1C1CC1	ZINC001601081290	1168583107	/nfs/dbraw/zinc/58/31/07/1168583107.db2.gz	JNCRRTVXFVNWPO-UHFFFAOYSA-N	-1	0	301.266	0.087	20	30		DCEDRM
N#CCc1ccsc1C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001601078962	1168583202	/nfs/dbraw/zinc/58/32/02/1168583202.db2.gz	KYAPLUQDVBVKFD-SECBINFHSA-N	-1	0	310.331	0.760	20	30		DCEDRM
N#Cc1cc(CN2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)ccc1F	ZINC001601087702	1168583591	/nfs/dbraw/zinc/58/35/91/1168583591.db2.gz	HXUNJYMLIVOTBH-CHWSQXEVSA-N	-1	0	317.320	0.718	20	30		DCEDRM
N#Cc1ccc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)cc1O	ZINC001601092056	1168584045	/nfs/dbraw/zinc/58/40/45/1168584045.db2.gz	LIYBRSANVQNMAB-NEPJUHHUSA-N	-1	0	304.302	0.731	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC2CC1(C(=O)[O-])C2	ZINC001601089434	1168584138	/nfs/dbraw/zinc/58/41/38/1168584138.db2.gz	XUZVCZAKAVLUGP-UHFFFAOYSA-N	-1	0	317.276	0.711	20	30		DCEDRM
N#Cc1ccc(CCC(=O)OCC(=O)NCCC(=O)[O-])cc1	ZINC001601097490	1168584698	/nfs/dbraw/zinc/58/46/98/1168584698.db2.gz	GBZNNLMLVJCWMP-UHFFFAOYSA-N	-1	0	304.302	0.625	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)s1	ZINC001601100532	1168585097	/nfs/dbraw/zinc/58/50/97/1168585097.db2.gz	OUYUBUIANGZECO-NSHDSACASA-N	-1	0	321.358	0.559	20	30		DCEDRM
N#Cc1ccc(CNC(=O)Cn2cnc(C(=O)[O-])cc2=O)cc1	ZINC001601100771	1168585748	/nfs/dbraw/zinc/58/57/48/1168585748.db2.gz	YJSBJSGIPUNCPR-UHFFFAOYSA-N	-1	0	312.285	0.130	20	30		DCEDRM
N#Cc1ccc(OC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)cc1	ZINC001601108450	1168586037	/nfs/dbraw/zinc/58/60/37/1168586037.db2.gz	GDMXVYLXUIZZBH-GFCCVEGCSA-N	-1	0	302.286	0.787	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cc1	ZINC001601108882	1168586486	/nfs/dbraw/zinc/58/64/86/1168586486.db2.gz	XZSVXDVUEQVKNJ-JSGCOSHPSA-N	-1	0	303.318	0.407	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)[C@@H]2CCCS2(=O)=O)C(=O)[O-])c1	ZINC001601117499	1168587302	/nfs/dbraw/zinc/58/73/02/1168587302.db2.gz	BOLIYZOEEYEBRM-RYUDHWBXSA-N	-1	0	323.326	0.804	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1	ZINC001601122241	1168587982	/nfs/dbraw/zinc/58/79/82/1168587982.db2.gz	IKLJFONIZRZJSD-LBPRGKRZSA-N	-1	0	317.301	0.199	20	30		DCEDRM
N#Cc1cccc(OCC(=O)NC[C@@]2(C(=O)[O-])CCOC2)c1	ZINC001601121757	1168588095	/nfs/dbraw/zinc/58/80/95/1168588095.db2.gz	TZYUHEPNYFMZDT-HNNXBMFYSA-N	-1	0	304.302	0.545	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])c1	ZINC001601122227	1168588776	/nfs/dbraw/zinc/58/87/76/1168588776.db2.gz	HYXXFFXUEBTJNE-LBPRGKRZSA-N	-1	0	301.302	0.962	20	30		DCEDRM
N#Cc1cccnc1N1CCN(c2nccnc2C(=O)[O-])CC1	ZINC001601128007	1168589810	/nfs/dbraw/zinc/58/98/10/1168589810.db2.gz	DCDPPWGBDDECMJ-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1ccsc1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001601128124	1168590109	/nfs/dbraw/zinc/59/01/09/1168590109.db2.gz	BHVDQNXPZVLNRC-SECBINFHSA-N	-1	0	317.330	0.997	20	30		DCEDRM
N#Cc1cncc(N(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C2CC2)n1	ZINC001601130215	1168591312	/nfs/dbraw/zinc/59/13/12/1168591312.db2.gz	BGYGBBNHFZXRMX-RYUDHWBXSA-N	-1	0	315.333	0.154	20	30		DCEDRM
N#Cc1ccsc1C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001601129848	1168591395	/nfs/dbraw/zinc/59/13/95/1168591395.db2.gz	WCZUAGSAKPIHOC-VIFPVBQESA-N	-1	0	308.315	0.852	20	30		DCEDRM
N#Cc1cncc(NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCC2)n1	ZINC001601131175	1168591531	/nfs/dbraw/zinc/59/15/31/1168591531.db2.gz	RTAVESWYXDPVOP-QWRGUYRKSA-N	-1	0	315.333	0.520	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)Cc2ccc(C(=O)[O-])cc2)c1N	ZINC001601131489	1168591743	/nfs/dbraw/zinc/59/17/43/1168591743.db2.gz	BMUAZSDABNMDTD-UHFFFAOYSA-N	-1	0	314.301	0.821	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NCCS(=O)(=O)CC1CC1	ZINC001601132923	1168593531	/nfs/dbraw/zinc/59/35/31/1168593531.db2.gz	JANXSISHBLNZMO-UHFFFAOYSA-N	-1	0	309.347	0.888	20	30		DCEDRM
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CC(=O)[O-])CC1	ZINC001601134295	1168593554	/nfs/dbraw/zinc/59/35/54/1168593554.db2.gz	FXHAPWRSAIPGLY-UHFFFAOYSA-N	-1	0	304.306	0.547	20	30		DCEDRM
O=C([O-])c1nccc(N2CC[C@H](NC(=O)C#CC3CC3)C2)n1	ZINC001601223769	1168666410	/nfs/dbraw/zinc/66/64/10/1168666410.db2.gz	LKLRXWCPSBNGCX-NSHDSACASA-N	-1	0	300.318	0.283	20	30		DCEDRM
O=C([O-])[C@@]1(O)CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)C1	ZINC001601238868	1168672936	/nfs/dbraw/zinc/67/29/36/1168672936.db2.gz	PPTSKHVFCWLXRW-OMVNSRBRSA-N	-1	0	307.277	0.456	20	30		DCEDRM
O=C([O-])c1cc(C=NN2C(=O)NC3(CCCCC3)C2=O)on1	ZINC001602254830	1169043100	/nfs/dbraw/zinc/04/31/00/1169043100.db2.gz	RWJXKYPTMSLBAY-UHFFFAOYSA-N	-1	0	306.278	0.961	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)[C@@H]1CCCO1	ZINC001602678729	1169157107	/nfs/dbraw/zinc/15/71/07/1169157107.db2.gz	PNGDZEKATVMIDE-QWRGUYRKSA-N	-1	0	301.364	0.342	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1	ZINC001602676535	1169157129	/nfs/dbraw/zinc/15/71/29/1169157129.db2.gz	AGZOJVYLSOHNCF-KGLIPLIRSA-N	-1	0	320.389	0.962	20	30		DCEDRM
C#CC1(O)CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC001602676827	1169157170	/nfs/dbraw/zinc/15/71/70/1169157170.db2.gz	JIXFNRJPAFKAFK-UHFFFAOYSA-N	-1	0	318.285	0.893	20	30		DCEDRM
C#C[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])n1)[C@@H]1CCCO1	ZINC001602678246	1169157507	/nfs/dbraw/zinc/15/75/07/1169157507.db2.gz	KVXIDSODFXXWAF-PWSUYJOCSA-N	-1	0	303.318	0.489	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1)C(=O)[O-]	ZINC001602685344	1169158341	/nfs/dbraw/zinc/15/83/41/1169158341.db2.gz	RUHPCCJYOHNHBN-UONOGXRCSA-N	-1	0	314.341	0.884	20	30		DCEDRM
C#CC[C@H](NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C(=O)[O-]	ZINC001602687269	1169158537	/nfs/dbraw/zinc/15/85/37/1169158537.db2.gz	LLOXVQRNWBTBAX-JTQLQIEISA-N	-1	0	308.294	0.391	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001602699351	1169164152	/nfs/dbraw/zinc/16/41/52/1169164152.db2.gz	BYSZREDKQNGVGZ-UPJWGTAASA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#C[C@@H]1CCCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1	ZINC001602697634	1169165077	/nfs/dbraw/zinc/16/50/77/1169165077.db2.gz	YPKUTKYTNOLDFM-SNVBAGLBSA-N	-1	0	318.362	0.296	20	30		DCEDRM
C#CCN(CC#N)C(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001602715844	1169168093	/nfs/dbraw/zinc/16/80/93/1169168093.db2.gz	UZJHDZHXJLRYGV-NSHDSACASA-N	-1	0	323.349	0.730	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])n(C)c2)C1	ZINC001602721080	1169169876	/nfs/dbraw/zinc/16/98/76/1169169876.db2.gz	UNOHFILWPNOUCD-LLVKDONJSA-N	-1	0	304.350	0.942	20	30		DCEDRM
C#CCN(Cc1ncc(C(=O)[O-])s1)[C@H]1CCS(=O)(=O)C1	ZINC001602720869	1169170272	/nfs/dbraw/zinc/17/02/72/1169170272.db2.gz	KATIGNCLJWJFEV-VIFPVBQESA-N	-1	0	314.388	0.464	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)cn1	ZINC001602739575	1169175905	/nfs/dbraw/zinc/17/59/05/1169175905.db2.gz	JOVWCWDCBBDLBC-VXGBXAGGSA-N	-1	0	302.286	0.009	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)OC)nc1	ZINC001602739863	1169176050	/nfs/dbraw/zinc/17/60/50/1169176050.db2.gz	PLKJWETVAUPEJM-DGCLKSJQSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)[O-])nc1	ZINC001602740134	1169176062	/nfs/dbraw/zinc/17/60/62/1169176062.db2.gz	XUVPLRXECDKUMS-WCQYABFASA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)NCC(=O)[O-])c1	ZINC001602742167	1169176413	/nfs/dbraw/zinc/17/64/13/1169176413.db2.gz	GSJMOLDKYUEJGA-NSHDSACASA-N	-1	0	317.345	0.128	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1Cn1nnnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001602746371	1169177994	/nfs/dbraw/zinc/17/79/94/1169177994.db2.gz	BPMHVWUOTJNGJJ-TYNCELHUSA-N	-1	0	321.381	0.955	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)C(=O)[O-]	ZINC001602748880	1169178025	/nfs/dbraw/zinc/17/80/25/1169178025.db2.gz	KLWAXPUCRRVPEN-GFCCVEGCSA-N	-1	0	315.329	0.932	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC001602755166	1169179472	/nfs/dbraw/zinc/17/94/72/1169179472.db2.gz	JIHRVGUNCMMCRJ-DTWKUNHWSA-N	-1	0	310.272	0.979	20	30		DCEDRM
C=C(C)Cn1c([C@H](C)CO)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001602765536	1169180814	/nfs/dbraw/zinc/18/08/14/1169180814.db2.gz	BTTDYVSXJCXHCC-WOPDTQHZSA-N	-1	0	324.381	0.628	20	30		DCEDRM
C=C1CCC(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC1	ZINC001602776273	1169183568	/nfs/dbraw/zinc/18/35/68/1169183568.db2.gz	YNIQBLTZHBZATO-UHFFFAOYSA-N	-1	0	302.342	0.321	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC001602816847	1169187926	/nfs/dbraw/zinc/18/79/26/1169187926.db2.gz	RJZQXCUVWITQSG-SNVBAGLBSA-N	-1	0	324.333	0.562	20	30		DCEDRM
C=CCC(C)(C)Cn1nnnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001602835934	1169191210	/nfs/dbraw/zinc/19/12/10/1169191210.db2.gz	CJGUXXWIQNKJOW-QWRGUYRKSA-N	-1	0	309.370	0.954	20	30		DCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)C1	ZINC001602855624	1169192582	/nfs/dbraw/zinc/19/25/82/1169192582.db2.gz	VUOBVXFNDMRVCR-XHDPSFHLSA-N	-1	0	310.350	0.113	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1csc(-c2nn[nH]n2)c1	ZINC001602863747	1169193582	/nfs/dbraw/zinc/19/35/82/1169193582.db2.gz	NZUPAERPAQTIEF-SSDOTTSWSA-N	-1	0	307.335	0.776	20	30		DCEDRM
C=CCNC(=O)CNc1cc(-c2nn[nH]n2)ccc1C(C)=O	ZINC001602862766	1169193616	/nfs/dbraw/zinc/19/36/16/1169193616.db2.gz	IGTJOLXNQZMXPK-UHFFFAOYSA-N	-1	0	300.322	0.783	20	30		DCEDRM
C=CCCC(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001602855801	1169193940	/nfs/dbraw/zinc/19/39/40/1169193940.db2.gz	CHLDHHCQPFYIMG-NEPJUHHUSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)C(=O)[O-]	ZINC001602865106	1169195483	/nfs/dbraw/zinc/19/54/83/1169195483.db2.gz	DNGDQRRIZPMXAT-DDHJBXDOSA-N	-1	0	313.350	0.879	20	30		DCEDRM
C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cc(C(=O)[O-])nn1C	ZINC001602887664	1169198262	/nfs/dbraw/zinc/19/82/62/1169198262.db2.gz	HIGOTNDGWRXQKA-SNVBAGLBSA-N	-1	0	321.333	0.864	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001602890234	1169199967	/nfs/dbraw/zinc/19/99/67/1169199967.db2.gz	WTHVHWVALCPUOY-SNVBAGLBSA-N	-1	0	301.306	0.076	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001602901786	1169201746	/nfs/dbraw/zinc/20/17/46/1169201746.db2.gz	VWJBWLAOIFMYEA-UHFFFAOYSA-N	-1	0	322.726	0.212	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1C	ZINC001602906347	1169202058	/nfs/dbraw/zinc/20/20/58/1169202058.db2.gz	FFPHVFYATLSCBH-ZYHUDNBSSA-N	-1	0	320.349	0.318	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2c(c1)nc[nH]c2=O)C(=O)[O-]	ZINC001602913272	1169203123	/nfs/dbraw/zinc/20/31/23/1169203123.db2.gz	MOQDBRFYYCBJLK-GFCCVEGCSA-N	-1	0	317.301	0.721	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)[O-]	ZINC001602909716	1169203384	/nfs/dbraw/zinc/20/33/84/1169203384.db2.gz	FFRAGBLDNZUENC-WDEREUQCSA-N	-1	0	312.366	0.405	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccccc1C(=O)[O-])C(=O)OC	ZINC001602913395	1169203993	/nfs/dbraw/zinc/20/39/93/1169203993.db2.gz	PGHALQUOGOODRN-GFCCVEGCSA-N	-1	0	307.302	0.859	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnn2c1cccc2OC)C(=O)[O-]	ZINC001602913302	1169204449	/nfs/dbraw/zinc/20/44/49/1169204449.db2.gz	NHZYLPIKAOWWLA-NSHDSACASA-N	-1	0	319.317	0.729	20	30		DCEDRM
C=CCc1cc(C(=O)N2CC(O)(C(=O)[O-])C2)cc(OC)c1OC	ZINC001602926149	1169208491	/nfs/dbraw/zinc/20/84/91/1169208491.db2.gz	RRRQWBPXARFGGV-UHFFFAOYSA-N	-1	0	321.329	0.704	20	30		DCEDRM
C=CCc1ccc(OCC(=O)N[C@](C)(CO)C(=O)[O-])c(OC)c1	ZINC001602927053	1169208568	/nfs/dbraw/zinc/20/85/68/1169208568.db2.gz	YCXPXSQRVXYWME-MRXNPFEDSA-N	-1	0	323.345	0.754	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC001602924901	1169208625	/nfs/dbraw/zinc/20/86/25/1169208625.db2.gz	KLASDILMOSZLPV-ZDUSSCGKSA-N	-1	0	318.395	0.484	20	30		DCEDRM
C=CCn1c(CC)nnc1N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001602935646	1169212150	/nfs/dbraw/zinc/21/21/50/1169212150.db2.gz	SKXJOUJKENLXGD-XHDPSFHLSA-N	-1	0	306.366	0.954	20	30		DCEDRM
C=CCn1c(=O)[nH]nc1S[C@H](CCC(=O)OC)C(=O)[O-]	ZINC001602936970	1169212942	/nfs/dbraw/zinc/21/29/42/1169212942.db2.gz	LJJQSFLOXNMAKI-SSDOTTSWSA-N	-1	0	301.324	0.668	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001602940379	1169215147	/nfs/dbraw/zinc/21/51/47/1169215147.db2.gz	VELLKKBCBLNFIA-BDAKNGLRSA-N	-1	0	315.351	0.428	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001602944588	1169216279	/nfs/dbraw/zinc/21/62/79/1169216279.db2.gz	CJAFDBISJYNOCA-WISYIIOYSA-N	-1	0	303.380	0.893	20	30		DCEDRM
CC#CCN1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)C1	ZINC001602949607	1169218280	/nfs/dbraw/zinc/21/82/80/1169218280.db2.gz	PMVSWUHDODTBNV-HUUCEWRRSA-N	-1	0	320.389	0.422	20	30		DCEDRM
C/C(=C\CN1CCN(c2c(C#N)c(C)nn2C)CC1)C(=O)[O-]	ZINC001602965852	1169221086	/nfs/dbraw/zinc/22/10/86/1169221086.db2.gz	YQGLFJDFVCINRT-NYYWCZLTSA-N	-1	0	303.366	0.753	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC001602983035	1169224438	/nfs/dbraw/zinc/22/44/38/1169224438.db2.gz	DUMMHVKAFDGHQW-SECBINFHSA-N	-1	0	306.351	0.647	20	30		DCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001603129225	1169250196	/nfs/dbraw/zinc/25/01/96/1169250196.db2.gz	CCSMVYACWHIUAX-SECBINFHSA-N	-1	0	305.290	0.364	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@H](CN(C)c2ccnc(C(=O)[O-])n2)C1	ZINC001603129928	1169250230	/nfs/dbraw/zinc/25/02/30/1169250230.db2.gz	PHOVWGGQBYIDLZ-WDEREUQCSA-N	-1	0	317.349	0.619	20	30		DCEDRM
C[C@H](C#N)C(=O)NC1(C)CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001603129888	1169251126	/nfs/dbraw/zinc/25/11/26/1169251126.db2.gz	OCVDDRSUORQKGJ-SNVBAGLBSA-N	-1	0	317.349	0.810	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COc1cccnc1-c1nn[nH]n1	ZINC001603203401	1169273512	/nfs/dbraw/zinc/27/35/12/1169273512.db2.gz	SWAOWYLRXWUWAK-AWEZNQCLSA-N	-1	0	315.337	0.695	20	30		DCEDRM
CC(C)n1cnnc1CNc1cnc(-c2nn[nH]n2)c(C#N)n1	ZINC001603434323	1169305739	/nfs/dbraw/zinc/30/57/39/1169305739.db2.gz	PRKHXCGJJQNLJU-UHFFFAOYSA-N	-1	0	311.313	0.313	20	30		DCEDRM
CC(C)C#CC(=O)NC1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001603699798	1169365884	/nfs/dbraw/zinc/36/58/84/1169365884.db2.gz	DCBDGUZOPKZMGK-UHFFFAOYSA-N	-1	0	316.361	0.919	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@H](C)N(C)c1ncc(C(=O)[O-])cn1	ZINC001603700134	1169366252	/nfs/dbraw/zinc/36/62/52/1169366252.db2.gz	MJPMGAYXNDTADY-NSHDSACASA-N	-1	0	304.350	0.775	20	30		DCEDRM
CC(C)[C@H](NC(=O)COC(=O)c1ccc(C#N)n1C)C(=O)[O-]	ZINC001603973640	1169459015	/nfs/dbraw/zinc/45/90/15/1169459015.db2.gz	CDLBONCIUHJHPU-LBPRGKRZSA-N	-1	0	307.306	0.279	20	30		DCEDRM
C[C@H](CNC(=O)CSCC#N)Nc1ncc(C(=O)[O-])cn1	ZINC001604174680	1169514013	/nfs/dbraw/zinc/51/40/13/1169514013.db2.gz	UMMSQAXOMLASEL-MRVPVSSYSA-N	-1	0	309.351	0.348	20	30		DCEDRM
CCCCCOC1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001604180315	1169516403	/nfs/dbraw/zinc/51/64/03/1169516403.db2.gz	PPRAXBFNEASDGB-UHFFFAOYSA-N	-1	0	314.353	0.924	20	30		DCEDRM
C[C@@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)NCC(=O)[O-]	ZINC001604394777	1169581989	/nfs/dbraw/zinc/58/19/89/1169581989.db2.gz	QYEOCUIUPFAJRC-SNVBAGLBSA-N	-1	0	316.313	0.722	20	30		DCEDRM
C[C@H](OC(=O)c1c[nH]c(C#N)c1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001604407058	1169584869	/nfs/dbraw/zinc/58/48/69/1169584869.db2.gz	IBLTVHZRLIFSHN-VIFPVBQESA-N	-1	0	319.317	0.755	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCC1CCC(C#N)CC1	ZINC001604627374	1169636892	/nfs/dbraw/zinc/63/68/92/1169636892.db2.gz	QPRINSSOQJYYEY-WTIISPKJSA-N	-1	0	321.377	0.754	20	30		DCEDRM
C[C@@H]1CN(CCn2cc(C(=O)[O-])cc(C#N)c2=O)C[C@@H](C)O1	ZINC001604796781	1169689081	/nfs/dbraw/zinc/68/90/81/1169689081.db2.gz	DTPIVDDTKCUSHX-GHMZBOCLSA-N	-1	0	305.334	0.527	20	30		DCEDRM
CC[C@@H](C(=O)[O-])C(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC001604872068	1169722968	/nfs/dbraw/zinc/72/29/68/1169722968.db2.gz	UWXAVASAGAJSBM-GFCCVEGCSA-N	-1	0	302.334	0.713	20	30		DCEDRM
CC[C@H](C)[C@H](C(=O)[O-])N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC001604923872	1169745123	/nfs/dbraw/zinc/74/51/23/1169745123.db2.gz	PRMJPRUNGYZSBV-MEWQQHAOSA-N	-1	0	300.380	0.356	20	30		DCEDRM
CC[C@H](C)[C@@H](NC(=O)CN1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(=O)[O-]	ZINC001604929299	1169751265	/nfs/dbraw/zinc/75/12/65/1169751265.db2.gz	VJKXOTHDSXKOOA-RMRHIDDWSA-N	-1	0	324.425	0.520	20	30		DCEDRM
COC(=O)c1cc(Cn2cnc(-c3nnn[n-]3)c2C#N)oc1C	ZINC001604966817	1169767859	/nfs/dbraw/zinc/76/78/59/1169767859.db2.gz	RTFNNMIDGQPYJN-UHFFFAOYSA-N	-1	0	313.277	0.671	20	30		DCEDRM
CN(CCCC(=O)N(CC#N)CC(=O)[O-])C(=O)c1ccncc1	ZINC001606113115	1170079387	/nfs/dbraw/zinc/07/93/87/1170079387.db2.gz	QIYCEAQLTLOEMV-UHFFFAOYSA-N	-1	0	318.333	0.371	20	30		DCEDRM
Cc1nnc([C@H](C)Nc2cnc(C#N)c(-c3nnn[n-]3)n2)s1	ZINC001606120026	1170082326	/nfs/dbraw/zinc/08/23/26/1170082326.db2.gz	WMVDNUCNHUKRDZ-YFKPBYRVSA-N	-1	0	314.338	0.861	20	30		DCEDRM
CNS(=O)(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001606299092	1170153608	/nfs/dbraw/zinc/15/36/08/1170153608.db2.gz	RVWNGDMKGDFGFA-VIFPVBQESA-N	-1	0	324.362	0.169	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(C#N)[nH]c2C)C1	ZINC001606394382	1170181889	/nfs/dbraw/zinc/18/18/89/1170181889.db2.gz	ZNXLDSBVUKJVDN-CABZTGNLSA-N	-1	0	319.317	0.673	20	30		DCEDRM
N#Cc1ncc(NCC2(CF)CCOCC2)nc1-c1nnn[n-]1	ZINC001606398276	1170182893	/nfs/dbraw/zinc/18/28/93/1170182893.db2.gz	UOFPTMPSORNDAU-UHFFFAOYSA-N	-1	0	318.316	0.707	20	30		DCEDRM
N#Cc1ncc(NC[C@@H](O)c2ccncc2)nc1-c1nnn[n-]1	ZINC001606398118	1170183231	/nfs/dbraw/zinc/18/32/31/1170183231.db2.gz	MTOQKOPVPTWMRU-SNVBAGLBSA-N	-1	0	309.293	0.069	20	30		DCEDRM
N#Cc1ncc(N(C[C@H]2CCOC2)C2CC2)nc1-c1nnn[n-]1	ZINC001606397771	1170183360	/nfs/dbraw/zinc/18/33/60/1170183360.db2.gz	ZUVMKCMSLGAZKI-SECBINFHSA-N	-1	0	312.337	0.534	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@H](n3ccnc3)C2)nc1-c1nnn[n-]1	ZINC001606397092	1170184069	/nfs/dbraw/zinc/18/40/69/1170184069.db2.gz	GTKNUUHLNNHABL-JTQLQIEISA-N	-1	0	322.336	0.566	20	30		DCEDRM
COC(=O)C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC001606442250	1170203734	/nfs/dbraw/zinc/20/37/34/1170203734.db2.gz	OTXOXAUFPZXJGJ-JTQLQIEISA-N	-1	0	310.693	0.958	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001606453807	1170209182	/nfs/dbraw/zinc/20/91/82/1170209182.db2.gz	KGVGIYUPOYJUAA-UHFFFAOYSA-N	-1	0	305.290	0.238	20	30		DCEDRM
COC(=O)N(C)CC(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001606486201	1170218703	/nfs/dbraw/zinc/21/87/03/1170218703.db2.gz	JXEALWOMEACZLZ-UHFFFAOYSA-N	-1	0	306.274	0.998	20	30		DCEDRM
COCC#CC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001606770919	1170283594	/nfs/dbraw/zinc/28/35/94/1170283594.db2.gz	PATZFYGZRIRXCA-JTQLQIEISA-N	-1	0	322.342	0.318	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cnn(CCC#N)c1C	ZINC001606833134	1170307081	/nfs/dbraw/zinc/30/70/81/1170307081.db2.gz	JFSLSHSLUDGDDX-OAHLLOKOSA-N	-1	0	320.349	0.811	20	30		DCEDRM
C[C@@H]1CN(C(=O)Nc2cccc(CC#N)n2)C[C@@H](C(=O)[O-])O1	ZINC001607434308	1170452049	/nfs/dbraw/zinc/45/20/49/1170452049.db2.gz	HLRUZQFHUAJMLC-KOLCDFICSA-N	-1	0	304.306	0.853	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3ccc(F)nc3)C2)c(=O)[n-]c1=O	ZINC001607488088	1170465913	/nfs/dbraw/zinc/46/59/13/1170465913.db2.gz	GJKSQQHDJUMDMJ-UHFFFAOYSA-N	-1	0	315.264	0.052	20	30		DCEDRM
Cc1c(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)cnn1CCC#N	ZINC001607507769	1170469920	/nfs/dbraw/zinc/46/99/20/1170469920.db2.gz	HDVVMGXEWYGOHF-HNNXBMFYSA-N	-1	0	320.349	0.859	20	30		DCEDRM
Cc1cc(C#N)nc(NCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])n1	ZINC001607566342	1170477927	/nfs/dbraw/zinc/47/79/27/1170477927.db2.gz	UFRKJLSEGCMXMR-GHMZBOCLSA-N	-1	0	303.322	0.248	20	30		DCEDRM
Cc1cc(C(F)(F)F)nn1CC(=O)N(CC#N)CC(=O)[O-]	ZINC001607610154	1170483822	/nfs/dbraw/zinc/48/38/22/1170483822.db2.gz	JYKHMHVUBFKQHY-UHFFFAOYSA-N	-1	0	304.228	0.647	20	30		DCEDRM
Cc1cc(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)oc1C(=O)[O-]	ZINC001607641690	1170488270	/nfs/dbraw/zinc/48/82/70/1170488270.db2.gz	NHGYHELFUCNPEB-IINYFYTJSA-N	-1	0	324.358	0.656	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])nn1CCC#N	ZINC001607672316	1170493822	/nfs/dbraw/zinc/49/38/22/1170493822.db2.gz	KKPCMGXAOJPDDO-UHFFFAOYSA-N	-1	0	321.337	0.271	20	30		DCEDRM
Cc1ccc(C#N)c(NCCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1	ZINC001607724190	1170500675	/nfs/dbraw/zinc/50/06/75/1170500675.db2.gz	GGMLLXRXKCOJKJ-RYUDHWBXSA-N	-1	0	302.334	0.901	20	30		DCEDRM
Cc1nc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)ccc1C#N	ZINC001607949555	1170531555	/nfs/dbraw/zinc/53/15/55/1170531555.db2.gz	RCVHFGFMBFLMFI-GFCCVEGCSA-N	-1	0	317.301	0.494	20	30		DCEDRM
Cc1nc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)ccc1C#N	ZINC001607962041	1170535768	/nfs/dbraw/zinc/53/57/68/1170535768.db2.gz	LZVRWYINFNNSHL-CHWSQXEVSA-N	-1	0	314.345	0.631	20	30		DCEDRM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC(O)(C(=O)[O-])C1	ZINC001608031603	1170554064	/nfs/dbraw/zinc/55/40/64/1170554064.db2.gz	BITSZFOABILARO-UHFFFAOYSA-N	-1	0	315.285	0.522	20	30		DCEDRM
Cc1oc(CN(C)C(=O)NCC(=O)NCC#N)cc1C(=O)[O-]	ZINC001608043977	1170558340	/nfs/dbraw/zinc/55/83/40/1170558340.db2.gz	GOULAVBZTOUROJ-UHFFFAOYSA-N	-1	0	308.294	0.067	20	30		DCEDRM
Cn1cc(CN=Nc2ccc(S(N)(=O)=O)cn2)cc1C(=O)[O-]	ZINC001608107824	1170574600	/nfs/dbraw/zinc/57/46/00/1170574600.db2.gz	ZBLZYKVMCLXLQF-UHFFFAOYSA-N	-1	0	323.334	0.212	20	30		DCEDRM
Cn1ncc2c1nnn(Cc1cccc(C(=O)[O-])c1C#N)c2=O	ZINC001608160556	1170602900	/nfs/dbraw/zinc/60/29/00/1170602900.db2.gz	NOSDIERSCNUBSF-UHFFFAOYSA-N	-1	0	310.273	0.143	20	30		DCEDRM
N#CC1(CC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CCOCC1	ZINC001608175525	1170609139	/nfs/dbraw/zinc/60/91/39/1170609139.db2.gz	CMZMDANLDYIEEJ-UHFFFAOYSA-N	-1	0	318.333	0.744	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])CC1	ZINC001608175726	1170609150	/nfs/dbraw/zinc/60/91/50/1170609150.db2.gz	MJWWJPVYLQXZMW-MNOVXSKESA-N	-1	0	316.379	0.479	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)c2cc(F)cc3n[nH]nc32)CC1	ZINC001608172078	1170609174	/nfs/dbraw/zinc/60/91/74/1170609174.db2.gz	BGMHSWPNIUTRQA-UHFFFAOYSA-N	-1	0	317.280	0.928	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)CCCC1	ZINC001608176238	1170609396	/nfs/dbraw/zinc/60/93/96/1170609396.db2.gz	YMBIHAKDEQRVKB-GFCCVEGCSA-N	-1	0	318.420	0.950	20	30		DCEDRM
N#CC1(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CC2(CC2)C1	ZINC001608172516	1170609414	/nfs/dbraw/zinc/60/94/14/1170609414.db2.gz	XQDMNJBFFIUBOY-HNNXBMFYSA-N	-1	0	303.318	0.902	20	30		DCEDRM
N#C[C@H]1CSCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC001608179153	1170610598	/nfs/dbraw/zinc/61/05/98/1170610598.db2.gz	GREXBYBDYPQOHB-ZETCQYMHSA-N	-1	0	302.333	0.607	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@H]1CCCN1c1ncccn1	ZINC001608185051	1170611364	/nfs/dbraw/zinc/61/13/64/1170611364.db2.gz	ADTKCIREHSMGNJ-LLVKDONJSA-N	-1	0	303.322	0.272	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CCN(Cc2ccccc2)C1=O	ZINC001608184522	1170611701	/nfs/dbraw/zinc/61/17/01/1170611701.db2.gz	YJPWPCCOGDJNFR-CYBMUJFWSA-N	-1	0	315.329	0.472	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)C[C@H](NC(N)=O)c1cccs1	ZINC001608185520	1170612357	/nfs/dbraw/zinc/61/23/57/1170612357.db2.gz	VOCBGKRCOLLBNO-VIFPVBQESA-N	-1	0	324.362	0.674	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1	ZINC001608188983	1170613060	/nfs/dbraw/zinc/61/30/60/1170613060.db2.gz	SQYSDFBXNTYRNZ-STQMWFEESA-N	-1	0	318.329	0.425	20	30		DCEDRM
N#Cc1ccc([C@H](N[C@H](C[C@H]2CCCO2)C(=O)[O-])C(N)=O)cc1	ZINC001608201964	1170615106	/nfs/dbraw/zinc/61/51/06/1170615106.db2.gz	JZANZAJHAMLEEX-MCIONIFRSA-N	-1	0	317.345	0.697	20	30		DCEDRM
N#Cc1ccc(CC(=O)NC2(CC(=O)[O-])CCOCC2)cn1	ZINC001608203676	1170615367	/nfs/dbraw/zinc/61/53/67/1170615367.db2.gz	GUWHYMJZUPKOFX-UHFFFAOYSA-N	-1	0	303.318	0.636	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c(F)c1	ZINC001608201013	1170615395	/nfs/dbraw/zinc/61/53/95/1170615395.db2.gz	VIGFLZFDHIAOBT-GFCCVEGCSA-N	-1	0	302.265	0.846	20	30		DCEDRM
N#Cc1ccc(F)c(CN2CCC[C@H]2C(=O)NCC(=O)[O-])c1	ZINC001608206989	1170616163	/nfs/dbraw/zinc/61/61/63/1170616163.db2.gz	SNYALOPUILZEPJ-ZDUSSCGKSA-N	-1	0	305.309	0.863	20	30		DCEDRM
N#Cc1cccc(OCCCCC(=O)NC[C@H](O)C(=O)[O-])c1	ZINC001608218809	1170617143	/nfs/dbraw/zinc/61/71/43/1170617143.db2.gz	ZRIMDQKZKGRIBZ-ZDUSSCGKSA-N	-1	0	306.318	0.669	20	30		DCEDRM
N#Cc1cccc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)c1	ZINC001608214840	1170617197	/nfs/dbraw/zinc/61/71/97/1170617197.db2.gz	HEYDRACDULPHHB-UHFFFAOYSA-N	-1	0	322.342	0.320	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])c1	ZINC001608218792	1170617225	/nfs/dbraw/zinc/61/72/25/1170617225.db2.gz	YXYWFRRJVPFRRH-ZDUSSCGKSA-N	-1	0	314.301	0.403	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)c1	ZINC001608217039	1170617250	/nfs/dbraw/zinc/61/72/50/1170617250.db2.gz	IVQGFOXIQPSZMV-HNNXBMFYSA-N	-1	0	317.301	0.247	20	30		DCEDRM
N#Cc1cccnc1N[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001608221135	1170618553	/nfs/dbraw/zinc/61/85/53/1170618553.db2.gz	COWICMKWDKPYAN-BQUFFADESA-N	-1	0	314.345	0.981	20	30		DCEDRM
C#CCCCCCC(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001609020618	1170787044	/nfs/dbraw/zinc/78/70/44/1170787044.db2.gz	XFWWHNCTRMSEKQ-UHFFFAOYSA-N	-1	0	302.342	0.158	20	30		DCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC	ZINC001609055236	1170794353	/nfs/dbraw/zinc/79/43/53/1170794353.db2.gz	YPZBKBHPDGKPAD-MRVPVSSYSA-N	-1	0	313.331	0.702	20	30		DCEDRM
C[C@@H](C(=O)N(CC#N)C1CCCC1)n1cnc(-c2nnn[n-]2)n1	ZINC001609068582	1170798466	/nfs/dbraw/zinc/79/84/66/1170798466.db2.gz	SYFQJKFONJQONS-VIFPVBQESA-N	-1	0	315.341	0.314	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CSCN1C(=O)C(C)(C)C)C(=O)[O-]	ZINC001609076517	1170800085	/nfs/dbraw/zinc/80/00/85/1170800085.db2.gz	ORCXFVRYWNOSGK-NXEZZACHSA-N	-1	0	312.391	0.527	20	30		DCEDRM
C[C@]1(C#N)CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1	ZINC001609141991	1170824132	/nfs/dbraw/zinc/82/41/32/1170824132.db2.gz	IRMWJUCHEQWRDO-GFCCVEGCSA-N	-1	0	322.350	0.774	20	30		DCEDRM
C=CC[C@@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccncc1	ZINC001609320375	1170935119	/nfs/dbraw/zinc/93/51/19/1170935119.db2.gz	IEFYTXUCEGEBRZ-CHWSQXEVSA-N	-1	0	317.345	0.748	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCn1c(C)cc(O)cc1=O)C(=O)[O-]	ZINC001609432334	1170974204	/nfs/dbraw/zinc/97/42/04/1170974204.db2.gz	OEIILZXPHCUSRX-GFCCVEGCSA-N	-1	0	324.333	0.024	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccnc1-n1cccn1)C(=O)[O-]	ZINC001609442906	1170978884	/nfs/dbraw/zinc/97/88/84/1170978884.db2.gz	JZNCOGKLHGYVOR-LBPRGKRZSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C[C@@H](NC(=O)CON=Cc1ccc(C(=O)[O-])cc1)C(=O)N(C)C	ZINC001609764069	1171080281	/nfs/dbraw/zinc/08/02/81/1171080281.db2.gz	OTZOBCFDKOROOL-SNVBAGLBSA-N	-1	0	321.333	0.328	20	30		DCEDRM
C[C@@H](OC(=O)/C=C\c1ccccc1C#N)C(=O)NCC(=O)[O-]	ZINC001609793868	1171087198	/nfs/dbraw/zinc/08/71/98/1171087198.db2.gz	SYSZKESUHLTDEP-JYESYGNLSA-N	-1	0	302.286	0.704	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NCc1cc(C(=O)[O-])c(C)o1	ZINC001610000423	1171134638	/nfs/dbraw/zinc/13/46/38/1171134638.db2.gz	QAUIUEPYWRCNDI-UHFFFAOYSA-N	-1	0	315.351	0.856	20	30		DCEDRM
CN(C)S(=O)(=O)c1ccc(CN(CC#N)CC(=O)[O-])s1	ZINC001610101543	1171158176	/nfs/dbraw/zinc/15/81/76/1171158176.db2.gz	JCEJPAGLOLLGRK-UHFFFAOYSA-N	-1	0	317.392	0.409	20	30		DCEDRM
CNC(=O)[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCO1	ZINC001610139851	1171173273	/nfs/dbraw/zinc/17/32/73/1171173273.db2.gz	XSHVQLRZQHSJQG-CYBMUJFWSA-N	-1	0	303.318	0.203	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C#Cc1ccccc1	ZINC001610177221	1171187350	/nfs/dbraw/zinc/18/73/50/1171187350.db2.gz	UYAYJZJHOGDKJL-KGLIPLIRSA-N	-1	0	315.325	0.903	20	30		DCEDRM
CS(=O)(=O)N1CC[C@@H](CNc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001610375793	1171226987	/nfs/dbraw/zinc/22/69/87/1171226987.db2.gz	UVQRTNKCFSLXTO-VIFPVBQESA-N	-1	0	324.362	0.345	20	30		DCEDRM
Cc1cc(C(=O)[O-])ccc1NC(=O)NCCn1cnc(C#N)n1	ZINC001610442165	1171236769	/nfs/dbraw/zinc/23/67/69/1171236769.db2.gz	PJLBBRKFOCTUHU-UHFFFAOYSA-N	-1	0	314.305	0.978	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCN(CC#N)CC2)c1C(=O)[O-]	ZINC001610525964	1171246909	/nfs/dbraw/zinc/24/69/09/1171246909.db2.gz	RSYUBQSJKIPMBK-UHFFFAOYSA-N	-1	0	323.374	0.523	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1C#N	ZINC001610526242	1171247050	/nfs/dbraw/zinc/24/70/50/1171247050.db2.gz	ZQDUPPLOZISXHS-NSHDSACASA-N	-1	0	324.358	0.731	20	30		DCEDRM
N#CC1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])CC1	ZINC001610619984	1171270507	/nfs/dbraw/zinc/27/05/07/1171270507.db2.gz	GEWQVIFOBWHNIZ-UHFFFAOYSA-N	-1	0	309.347	0.772	20	30		DCEDRM
N#C[C@H]1CSCCN1S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001610620370	1171270704	/nfs/dbraw/zinc/27/07/04/1171270704.db2.gz	DZYYLGBRPUYHGZ-QMMMGPOBSA-N	-1	0	302.333	0.607	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NCCNC(=O)c1cccnc1	ZINC001610634251	1171274130	/nfs/dbraw/zinc/27/41/30/1171274130.db2.gz	SAUFYGFQTIZRRT-UHFFFAOYSA-N	-1	0	311.301	0.888	20	30		DCEDRM
CC(C)OCCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001618671495	1171400641	/nfs/dbraw/zinc/40/06/41/1171400641.db2.gz	GWWYZVCICUDYMY-UHFFFAOYSA-N	-1	0	308.338	0.142	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C(=O)OC	ZINC001622226705	1171421358	/nfs/dbraw/zinc/42/13/58/1171421358.db2.gz	ZZRCEEMPTITSGK-ZRNGKTOUSA-N	-1	0	324.424	0.282	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001632646590	1171621871	/nfs/dbraw/zinc/62/18/71/1171621871.db2.gz	AEDYDDOZKYRFJD-GFCCVEGCSA-N	-1	0	318.333	0.014	20	30		DCEDRM
COc1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)cc1C#N	ZINC001633199505	1171635807	/nfs/dbraw/zinc/63/58/07/1171635807.db2.gz	INUZYENXIAXTIB-UHFFFAOYSA-N	-1	0	323.312	0.833	20	30		DCEDRM
N#Cc1ccccc1C=CC(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC001635090655	1171692453	/nfs/dbraw/zinc/69/24/53/1171692453.db2.gz	MKWMMJSBGHPAOS-SZZPACECSA-N	-1	0	310.317	0.685	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCC(c3nnn[n-]3)CC2)nn1	ZINC001636174777	1171728738	/nfs/dbraw/zinc/72/87/38/1171728738.db2.gz	SVLBIQWBVOZJIZ-UHFFFAOYSA-N	-1	0	302.342	0.387	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)CNS(=O)(=O)c1ccc(F)cc1	ZINC001640635456	1171887311	/nfs/dbraw/zinc/88/73/11/1171887311.db2.gz	RMBFEHGBLVPGGI-SECBINFHSA-N	-1	0	302.327	0.726	20	30		DCEDRM
C#C[C@H](CO)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-]	ZINC001641574279	1171920890	/nfs/dbraw/zinc/92/08/90/1171920890.db2.gz	JAFVHJXBHRGRSL-SNVBAGLBSA-N	-1	0	305.721	0.955	20	30		DCEDRM
COc1cccc([S@](=O)C=C([O-])n2ncc(C#N)c2N)c1	ZINC001642524881	1171947808	/nfs/dbraw/zinc/94/78/08/1171947808.db2.gz	QYKHKVGGMRQGGI-OAQYLSRUSA-N	-1	0	304.331	0.794	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)Cn2nc3n(c2=O)CCCC3)c1	ZINC001642628930	1171952051	/nfs/dbraw/zinc/95/20/51/1171952051.db2.gz	YPDFFXYXZIVUDK-UHFFFAOYSA-N	-1	0	313.317	0.363	20	30		DCEDRM
Cn1cnc2cc(CNc3[n-]c(=O)n(C)c(=O)c3C#N)ccc21	ZINC001643189814	1171969168	/nfs/dbraw/zinc/96/91/68/1171969168.db2.gz	BAGPOBCGDIXNGP-UHFFFAOYSA-N	-1	0	310.317	0.444	20	30		DCEDRM
COc1cccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1C	ZINC001646638872	1172451528	/nfs/dbraw/zinc/45/15/28/1172451528.db2.gz	IBGSRRHPXUICKT-UHFFFAOYSA-N	-1	0	300.318	0.874	20	30		DCEDRM
CO[C@@]1(C)C[C@H](N(C)c2[n-]c(=O)n(C)c(=O)c2C#N)C1(C)C	ZINC001647632055	1173007098	/nfs/dbraw/zinc/00/70/98/1173007098.db2.gz	SUJXXMLBBJUUKF-BONVTDFDSA-N	-1	0	306.366	0.585	20	30		DCEDRM
C#CCCCC(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001660772364	1174049633	/nfs/dbraw/zinc/04/96/33/1174049633.db2.gz	OZSMPWKFGRHRSI-UHFFFAOYSA-N	-1	0	305.382	0.737	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001689521830	1176927001	/nfs/dbraw/zinc/92/70/01/1176927001.db2.gz	UKVFFBBXNYNRIE-NSHDSACASA-N	-1	0	304.350	0.558	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)C#CC(C)C)c1[O-]	ZINC001689526032	1176931269	/nfs/dbraw/zinc/93/12/69/1176931269.db2.gz	RKKSGWIBWMJFOW-NSHDSACASA-N	-1	0	304.350	0.414	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)C#CC(C)C)c1[O-]	ZINC001689526031	1176931508	/nfs/dbraw/zinc/93/15/08/1176931508.db2.gz	RKKSGWIBWMJFOW-LLVKDONJSA-N	-1	0	304.350	0.414	20	30		DCEDRM
C=CCC(CC=C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001698551401	1177539625	/nfs/dbraw/zinc/53/96/25/1177539625.db2.gz	IBLSTFABZGTLJT-GFCCVEGCSA-N	-1	0	305.382	0.969	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)NCCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001703349759	1179491548	/nfs/dbraw/zinc/49/15/48/1179491548.db2.gz	WRCGFHNZEBFCDW-JTQLQIEISA-N	-1	0	310.354	0.251	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001703933631	1179723005	/nfs/dbraw/zinc/72/30/05/1179723005.db2.gz	VKSMKCAAVPHPQP-PHIMTYICSA-N	-1	0	322.365	0.393	20	30		DCEDRM
C=CCOCC(=O)NCCN(CC)C(=O)c1n[nH]c(C)c1[O-]	ZINC001721136601	1183843811	/nfs/dbraw/zinc/84/38/11/1183843811.db2.gz	DATRZKDXOADPLI-UHFFFAOYSA-N	-1	0	310.354	0.205	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NC(=O)C#CC(C)C)c1[O-]	ZINC001725914142	1185046064	/nfs/dbraw/zinc/04/60/64/1185046064.db2.gz	KWDCKPWPXXLNMD-UWVGGRQHSA-N	-1	0	306.366	0.706	20	30		DCEDRM
C#CCN(CCNC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CC1	ZINC001731883649	1185546983	/nfs/dbraw/zinc/54/69/83/1185546983.db2.gz	IZHHQIIXNYUTPZ-UHFFFAOYSA-N	-1	0	300.318	0.756	20	30		DCEDRM
Cc1cc(S(=O)(=O)[N-]c2nn(C)cc2C(N)=O)ccc1C#N	ZINC001771673162	1187483876	/nfs/dbraw/zinc/48/38/76/1187483876.db2.gz	QRVBTSCXWAWVTG-UHFFFAOYSA-N	-1	0	319.346	0.500	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)C#CC(C)C)c1[O-]	ZINC001747651061	1188277250	/nfs/dbraw/zinc/27/72/50/1188277250.db2.gz	FHBSVVCHMDEQMB-LLVKDONJSA-N	-1	0	304.350	0.414	20	30		DCEDRM
C=CCCOCC(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001752826151	1188446798	/nfs/dbraw/zinc/44/67/98/1188446798.db2.gz	ROUKLXHDIIYMIY-LBPRGKRZSA-N	-1	0	323.397	0.574	20	30		DCEDRM
CN(CC#N)C[C@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001753359583	1188573173	/nfs/dbraw/zinc/57/31/73/1188573173.db2.gz	YMOVLZYNZGCIGZ-SNVBAGLBSA-N	-1	0	315.333	0.846	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cc1	ZINC001754318547	1188819151	/nfs/dbraw/zinc/81/91/51/1188819151.db2.gz	HSEVTZMYAFFWCN-LLVKDONJSA-N	-1	0	313.361	0.742	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001755408748	1189104500	/nfs/dbraw/zinc/10/45/00/1189104500.db2.gz	VCHHINBDTRDLIM-LLVKDONJSA-N	-1	0	319.409	0.886	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccnc2ccnn21	ZINC001771820976	1190513750	/nfs/dbraw/zinc/51/37/50/1190513750.db2.gz	RQFOIUIYQXOILP-UHFFFAOYSA-N	-1	0	307.335	0.339	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCc2cnn(C)n2)cc1C#N	ZINC001772127207	1190612581	/nfs/dbraw/zinc/61/25/81/1190612581.db2.gz	NTNMVZMFMYHGKN-UHFFFAOYSA-N	-1	0	304.335	0.439	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNc2cncc(C#N)n2)c1[O-]	ZINC001107125869	751876396	/nfs/dbraw/zinc/87/63/96/751876396.db2.gz	DVKUAGIZGSHOSM-NSCUHMNNSA-N	-1	0	313.321	0.484	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)c1[O-]	ZINC001059188667	748817668	/nfs/dbraw/zinc/81/76/68/748817668.db2.gz	MJFWURSNGWQITP-KYZUINATSA-N	-1	0	313.321	0.458	20	30		DCEDRM
C=C(C)CN1CCO[C@](C)(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001107872891	752458669	/nfs/dbraw/zinc/45/86/69/752458669.db2.gz	VGYGNGZZCXYSIP-OAHLLOKOSA-N	-1	0	308.382	0.821	20	30		DCEDRM
CC1(NC(=O)c2c[n-]n3c2nccc3=O)CCN(CC#N)CC1	ZINC001045582596	753248373	/nfs/dbraw/zinc/24/83/73/753248373.db2.gz	QODWQMCGQJPFMF-UHFFFAOYSA-N	-1	0	314.349	0.130	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001046632072	753843261	/nfs/dbraw/zinc/84/32/61/753843261.db2.gz	QXRIHIDVERBOLN-ZETOZRRWSA-N	-1	0	321.381	0.182	20	30		DCEDRM
C#CCN1CC[C@H]1CN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001085924467	759478119	/nfs/dbraw/zinc/47/81/19/759478119.db2.gz	WSSUVEKZGIHQID-JTQLQIEISA-N	-1	0	300.318	0.708	20	30		DCEDRM
N#Cc1c(N)nn(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)c1N	ZINC001147881339	767873089	/nfs/dbraw/zinc/87/30/89/767873089.db2.gz	VCZCUBJQJAYVJT-UHFFFAOYSA-N	-1	0	309.289	0.352	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2cc(S(=O)(=O)[O-])ccc2O)CCO1	ZINC001148925976	768061527	/nfs/dbraw/zinc/06/15/27/768061527.db2.gz	GEGUSKQWCYFETC-QMMMGPOBSA-N	-1	0	312.303	0.003	20	30		DCEDRM
N#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)[O-])ccc1O	ZINC001148926241	768061897	/nfs/dbraw/zinc/06/18/97/768061897.db2.gz	KLNREBVDLJTJOS-QMMMGPOBSA-N	-1	0	312.303	0.003	20	30		DCEDRM
Cc1ncccc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984052	765302215	/nfs/dbraw/zinc/30/22/15/765302215.db2.gz	IVOKGYRMURLGAU-UHFFFAOYSA-N	-1	0	302.315	0.775	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1cc(C)ncn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170747466	765472562	/nfs/dbraw/zinc/47/25/62/765472562.db2.gz	QTNJKWZKBVOUBV-QMTHXVAHSA-N	-1	0	322.390	0.750	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1ccc[n+]([O-])c1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170747223	765479821	/nfs/dbraw/zinc/47/98/21/765479821.db2.gz	MLTQATBWSWLPKW-QMTHXVAHSA-N	-1	0	323.374	0.285	20	30		DCEDRM
CSCCO[N-]C(=O)C(=O)Nc1ccc(OCC#N)cc1	ZINC001116882181	765923121	/nfs/dbraw/zinc/92/31/21/765923121.db2.gz	QOFICCCFAZGLIE-UHFFFAOYSA-N	-1	0	309.347	0.938	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1cnc2c(cnn2C)c1)C(=O)[O-]	ZINC001118191640	766251454	/nfs/dbraw/zinc/25/14/54/766251454.db2.gz	IWLIQZCPNSZEMX-NSHDSACASA-N	-1	0	324.362	0.666	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(Nc3cnc(C#N)cn3)CC2)c1[O-]	ZINC001110108233	766583614	/nfs/dbraw/zinc/58/36/14/766583614.db2.gz	MCVNNQQAOQASRL-UHFFFAOYSA-N	-1	0	313.321	0.460	20	30		DCEDRM
O=C(NCC#Cc1ccccc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001119329000	766633950	/nfs/dbraw/zinc/63/39/50/766633950.db2.gz	CQGVKRAVFOQJTJ-JOCQHMNTSA-N	-1	0	300.314	0.134	20	30		DCEDRM
C#Cc1cncc(C(=O)N2CCC(C(=O)[O-])([S@@](C)=O)CC2)c1	ZINC001119644306	766759051	/nfs/dbraw/zinc/75/90/51/766759051.db2.gz	HYPFMYKVQLHHLP-JOCHJYFZSA-N	-1	0	320.370	0.501	20	30		DCEDRM
N#CCNC1CC(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001091324994	767177033	/nfs/dbraw/zinc/17/70/33/767177033.db2.gz	XADJZIDPHREXLX-UHFFFAOYSA-N	-1	0	301.306	0.550	20	30		DCEDRM
NC(=O)c1ccc(C(=[NH2+])Nc2ccc(P(=O)([O-])[O-])cc2)cc1	ZINC001171258737	767320921	/nfs/dbraw/zinc/32/09/21/767320921.db2.gz	MFJHKHUJHVGSBR-UHFFFAOYSA-N	-1	0	319.257	0.626	20	30		DCEDRM
N#Cc1cn(CCC(=O)NOc2ccc(F)cc2)c(=O)[n-]c1=O	ZINC001146553638	767480698	/nfs/dbraw/zinc/48/06/98/767480698.db2.gz	ZXWYPJHBEHPMEX-UHFFFAOYSA-N	-1	0	318.264	0.460	20	30		DCEDRM
C#Cc1cncc(C(=O)N[C@H](C)c2nc(C(=O)OCC)n[nH]2)c1	ZINC001146867201	767544189	/nfs/dbraw/zinc/54/41/89/767544189.db2.gz	YCNGQCRTIZSJCA-SECBINFHSA-N	-1	0	313.317	0.849	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)o1	ZINC001122413740	767796638	/nfs/dbraw/zinc/79/66/38/767796638.db2.gz	YZOUZOUPOCCDFJ-SNVBAGLBSA-N	-1	0	322.317	0.931	20	30		DCEDRM
CS(=O)(=O)c1cc(C([O-])=C(C#N)C(=O)N2CCCC2)co1	ZINC001122422190	767798797	/nfs/dbraw/zinc/79/87/97/767798797.db2.gz	CBZXJTRBUWLFKH-SNVBAGLBSA-N	-1	0	310.331	0.628	20	30		DCEDRM
C#C[C@H](CCC)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001139967171	768500923	/nfs/dbraw/zinc/50/09/23/768500923.db2.gz	HSQLMIIYCHSUDU-LLVKDONJSA-N	-1	0	300.318	0.798	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(=O)n(C)[n-]2)c1	ZINC001141896687	768598478	/nfs/dbraw/zinc/59/84/78/768598478.db2.gz	OMNHZFUBHFKPLC-UHFFFAOYSA-N	-1	0	312.329	0.818	20	30		DCEDRM
N#Cc1ccc(CC(=O)N[C@H](c2nnn[n-]2)c2ccccc2)cn1	ZINC001149500868	768768275	/nfs/dbraw/zinc/76/82/75/768768275.db2.gz	QIRXERQJSCULDS-HNNXBMFYSA-N	-1	0	319.328	0.915	20	30		DCEDRM
CC[C@@H](C#CC(=O)OC)Oc1c(C(=O)OC)n[n-]c1C(=O)OC	ZINC001234193087	769578763	/nfs/dbraw/zinc/57/87/63/769578763.db2.gz	GTKQEMBNXONQQA-QMMMGPOBSA-N	-1	0	324.289	0.317	20	30		DCEDRM
C=CCSCC(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001180560403	771139895	/nfs/dbraw/zinc/13/98/95/771139895.db2.gz	KGCQGCSRPXKYII-UHFFFAOYSA-N	-1	0	312.372	0.976	20	30		DCEDRM
N=C(c1nonc1N)N(O)C(=O)[C@@H]1COc2ccccc2O1	ZINC001181895902	771365921	/nfs/dbraw/zinc/36/59/21/771365921.db2.gz	GILLPJLCEAETRK-QMMMGPOBSA-N	-1	0	305.250	0.035	20	30		DCEDRM
Cc1ncc(C#N)c(NC(=N)SCCS(=O)(=O)[O-])n1	ZINC001157322461	771586076	/nfs/dbraw/zinc/58/60/76/771586076.db2.gz	HRLUAMQYXMTIBL-UHFFFAOYSA-N	-1	0	301.353	0.046	20	30		DCEDRM
N#C[C@H](Cc1ccc(O)cc1)C(=O)n1[n-]c2ccnc(=O)c-2c1N	ZINC001183617149	771677422	/nfs/dbraw/zinc/67/74/22/771677422.db2.gz	MMGXGXHOJJHLCD-JTQLQIEISA-N	-1	0	323.312	0.987	20	30		DCEDRM
COC(=O)[C@@]1(C)COCCN1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244909	771763332	/nfs/dbraw/zinc/76/33/32/771763332.db2.gz	ZFTNUHYIFKVCCJ-MRXNPFEDSA-N	-1	0	306.338	0.827	20	30		DCEDRM
C=CCOC(=O)N[C@@H]1CCCN(c2nccnc2CC(=O)[O-])C1	ZINC001158915992	771833964	/nfs/dbraw/zinc/83/39/64/771833964.db2.gz	YJALWYYQTGAOHS-LLVKDONJSA-N	-1	0	320.349	0.985	20	30		DCEDRM
C=CCCc1ccc(C(=O)N[C@H]2SC(=O)[N-]C2=O)c(=O)[nH]1	ZINC001185362895	771905332	/nfs/dbraw/zinc/90/53/32/771905332.db2.gz	PKVMNTVDERAIEL-LBPRGKRZSA-N	-1	0	307.331	0.945	20	30		DCEDRM
N#Cc1cnn2c1ncc(C#N)c2[N-]S(=O)(=O)c1ccco1	ZINC001186820613	772095203	/nfs/dbraw/zinc/09/52/03/772095203.db2.gz	RQZPQKXXWPRIHD-UHFFFAOYSA-N	-1	0	314.286	0.866	20	30		DCEDRM
C=COc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001161310560	772201493	/nfs/dbraw/zinc/20/14/93/772201493.db2.gz	RFPMGMJLMQILRC-UHFFFAOYSA-N	-1	0	312.285	0.982	20	30		DCEDRM
N#Cc1cnn2c1ncc(C#N)c2[N-]S(=O)(=O)c1ccoc1	ZINC001188576267	772327168	/nfs/dbraw/zinc/32/71/68/772327168.db2.gz	IJQQSDVEWJNYFL-UHFFFAOYSA-N	-1	0	314.286	0.866	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2cnn(-c3ccccc3)c2)c1=O	ZINC001189575230	772500424	/nfs/dbraw/zinc/50/04/24/772500424.db2.gz	UFQXYGBVQDRCSV-UHFFFAOYSA-N	-1	0	321.296	0.477	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnc(C(N)=O)nc2)c1	ZINC001190617517	772646389	/nfs/dbraw/zinc/64/63/89/772646389.db2.gz	LNUSKHFYLHFQLX-UHFFFAOYSA-N	-1	0	321.293	0.387	20	30		DCEDRM
COc1ccc(C(N=O)=NS(=O)([O-])=c2cc[nH]cc2)nc1	ZINC001190915972	772698459	/nfs/dbraw/zinc/69/84/59/772698459.db2.gz	DXSYTGDUTWTHDF-UHFFFAOYSA-N	-1	0	308.319	0.600	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccnc1N1CCN(C)CC1	ZINC001193105196	773006252	/nfs/dbraw/zinc/00/62/52/773006252.db2.gz	SBZXBEDKJBWRON-NSHDSACASA-N	-1	0	309.395	0.487	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1nonc1-c1cn2ccncc2n1	ZINC001193107386	773006704	/nfs/dbraw/zinc/00/67/04/773006704.db2.gz	VCZRJBWVQSTKLX-SSDOTTSWSA-N	-1	0	319.306	0.433	20	30		DCEDRM
COC(=O)c1ncc(Cl)nc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193107125	773006765	/nfs/dbraw/zinc/00/67/65/773006765.db2.gz	OIJQKJPDSNXOMP-YFKPBYRVSA-N	-1	0	304.715	0.570	20	30		DCEDRM
COC(=O)c1cc(O)c(OC)cc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193146658	773017696	/nfs/dbraw/zinc/01/76/96/773017696.db2.gz	QAKSDGUQULWHBS-ZETCQYMHSA-N	-1	0	314.319	0.841	20	30		DCEDRM
N#Cc1cc(C(=O)Nc2cncc(S(N)(=O)=O)c2)ccc1[O-]	ZINC001193497843	773070938	/nfs/dbraw/zinc/07/09/38/773070938.db2.gz	CCBHKKOXXVICNV-UHFFFAOYSA-N	-1	0	318.314	0.559	20	30		DCEDRM
CNC(=O)NC1CCN(C(=O)c2ccc([O-])c(C#N)c2)CC1	ZINC001193505564	773076332	/nfs/dbraw/zinc/07/63/32/773076332.db2.gz	KPBFFHKBNOLCCE-UHFFFAOYSA-N	-1	0	302.334	0.797	20	30		DCEDRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N1CCNC[C@H]1C#N	ZINC001194269629	773171342	/nfs/dbraw/zinc/17/13/42/773171342.db2.gz	WTYNHPPEQKAUQJ-CYBMUJFWSA-N	-1	0	311.345	0.824	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001195173470	773343744	/nfs/dbraw/zinc/34/37/44/773343744.db2.gz	ACIJMCQOIGVDOL-LBPRGKRZSA-N	-1	0	323.397	0.526	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1cnc(C#N)c(Cl)c1	ZINC001195941888	773499556	/nfs/dbraw/zinc/49/95/56/773499556.db2.gz	KHYXKSRWXOPFBE-UHFFFAOYSA-N	-1	0	303.727	0.911	20	30		DCEDRM
COCCn1cc(C(=O)Nc2ccc(O)c(C#N)c2)cnc1=O	ZINC001197706444	773789001	/nfs/dbraw/zinc/78/90/01/773789001.db2.gz	QGIQNVYFPDVXGB-UHFFFAOYSA-N	-1	0	314.301	0.719	20	30		DCEDRM
N#Cc1c(N)nc(=NC2CC2)n(-c2cc(F)c([O-])c(F)c2)c1N	ZINC001213373651	773839528	/nfs/dbraw/zinc/83/95/28/773839528.db2.gz	QGNJQPMWLMLJSY-UHFFFAOYSA-N	-1	0	318.287	0.955	20	30		DCEDRM
COC(=O)[C@H](CCO)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001218221806	774218082	/nfs/dbraw/zinc/21/80/82/774218082.db2.gz	OEWRLYMWAHJDRH-JTQLQIEISA-N	-1	0	303.274	0.510	20	30		DCEDRM
C#C[C@@H](COc1cccc(Cl)c1)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225831845	775726420	/nfs/dbraw/zinc/72/64/20/775726420.db2.gz	ZVCZJIMWMUEMKT-VIFPVBQESA-N	-1	0	320.684	0.461	20	30		DCEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1COc2nc([N+](=O)[O-])cn2C1	ZINC001226008478	775753941	/nfs/dbraw/zinc/75/39/41/775753941.db2.gz	HOGYCVODTITURL-ZETCQYMHSA-N	-1	0	321.224	0.743	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nccc(/C=N/O)n1	ZINC001226256697	775789040	/nfs/dbraw/zinc/78/90/40/775789040.db2.gz	VKKSCAGEFNNECA-KUKWCLJQSA-N	-1	0	317.323	0.123	20	30		DCEDRM
CC[C@@H](C#CC(=O)OC)Oc1ccc(O)cc1S(=O)(=O)[O-]	ZINC001226417805	775814172	/nfs/dbraw/zinc/81/41/72/775814172.db2.gz	YONRXXGQEIWLJV-JTQLQIEISA-N	-1	0	314.315	0.973	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c(O)cccc1O	ZINC001227031347	775915634	/nfs/dbraw/zinc/91/56/34/775915634.db2.gz	LOTNZERWEARQNF-SECBINFHSA-N	-1	0	304.320	0.936	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1[nH]c(=S)ncc1F	ZINC001227383578	775969341	/nfs/dbraw/zinc/96/93/41/775969341.db2.gz	PROXIXGYPNAOGF-SSDOTTSWSA-N	-1	0	324.355	0.742	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1[nH]c(=O)ncc1CC	ZINC001228416172	776081434	/nfs/dbraw/zinc/08/14/34/776081434.db2.gz	QFWSNXHZVWXOAT-JTQLQIEISA-N	-1	0	318.351	0.582	20	30		DCEDRM
C=CCO[C@H](C)C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001230407517	776296779	/nfs/dbraw/zinc/29/67/79/776296779.db2.gz	SMSCNNYGWNKHDO-SNVBAGLBSA-N	-1	0	309.370	0.182	20	30		DCEDRM
CO[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)[C@@H](C(=O)[O-])C1	ZINC001599121933	1168066206	/nfs/dbraw/zinc/06/62/06/1168066206.db2.gz	HCIGRHWWTCFHQG-CHWSQXEVSA-N	-1	0	322.365	0.206	20	30		DCEDRM
C=C(Br)CNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588529372	983580977	/nfs/dbraw/zinc/58/09/77/983580977.db2.gz	XQIFLRUIVCRFHZ-YUMQZZPRSA-N	-1	0	307.144	0.779	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C(C)C	ZINC001602711894	1169168333	/nfs/dbraw/zinc/16/83/33/1169168333.db2.gz	ZCJOEKYRXMRZRF-QWHCGFSZSA-N	-1	0	306.362	0.426	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC001602880329	1169198643	/nfs/dbraw/zinc/19/86/43/1169198643.db2.gz	KGBNNHMUCKOWHG-QWRGUYRKSA-N	-1	0	319.379	0.621	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)C#CC2CC2)c1[O-]	ZINC001486842357	945329543	/nfs/dbraw/zinc/32/95/43/945329543.db2.gz	PAHZGOZCMTYTJE-VIFPVBQESA-N	-1	0	304.350	0.414	20	30		DCEDRM
C=CCN1C[C@@]2(F)CN(C(=O)c3ccncc3[O-])C[C@@]2(F)C1=O	ZINC001271402841	941367661	/nfs/dbraw/zinc/36/76/61/941367661.db2.gz	QJXPWGOYUPFTHB-HUUCEWRRSA-N	-1	0	323.299	0.688	20	30		DCEDRM
C=CCN1CC2(CN(C(=O)c3ccncc3[O-])C2)OCC1=O	ZINC001271402149	941367821	/nfs/dbraw/zinc/36/78/21/941367821.db2.gz	LOJYXEAMLDDTSK-UHFFFAOYSA-N	-1	0	303.318	0.027	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)C#CC3CC3)C2)c1[O-]	ZINC001286010570	941382513	/nfs/dbraw/zinc/38/25/13/941382513.db2.gz	FJKKYNGHDIIRET-UHFFFAOYSA-N	-1	0	302.334	0.120	20	30		DCEDRM
C=C(C)CN1CC[C@]2(CCN(C(=O)c3cnc[nH]c3=O)C2)C1=O	ZINC001271630436	941413245	/nfs/dbraw/zinc/41/32/45/941413245.db2.gz	NZJGJAQDJIOETR-MRXNPFEDSA-N	-1	0	316.361	0.823	20	30		DCEDRM
C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cnc[nH]c1=O	ZINC001271630738	941413291	/nfs/dbraw/zinc/41/32/91/941413291.db2.gz	RLBSFRDAIQQXSU-VXGBXAGGSA-N	-1	0	300.318	0.021	20	30		DCEDRM
COCCn1nc(C)c(Nc2[n-]c(=O)n(C)c(=O)c2C#N)c1C	ZINC001412873717	942118979	/nfs/dbraw/zinc/11/89/79/942118979.db2.gz	ZMSDOVYDFBGAQD-UHFFFAOYSA-N	-1	0	318.337	0.149	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2nc(C(C)(C)C)co2)c(C#N)c1=O	ZINC001412913473	942135722	/nfs/dbraw/zinc/13/57/22/942135722.db2.gz	TXZMLSBBNQLINY-UHFFFAOYSA-N	-1	0	303.322	0.843	20	30		DCEDRM
C=C(CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC001413044215	942228052	/nfs/dbraw/zinc/22/80/52/942228052.db2.gz	JSVFAYJJMHMTAY-UHFFFAOYSA-N	-1	0	310.313	0.650	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCO[C@@H]([C@H](C)O)C2)cc1C#N	ZINC001413101725	942504135	/nfs/dbraw/zinc/50/41/35/942504135.db2.gz	IVTNGZJRFSZMOH-GZMMTYOYSA-N	-1	0	323.374	0.603	20	30		DCEDRM
Cc1cc(F)cc(C#N)c1S(=O)(=O)[N-]N1CCCNC1=O	ZINC001413319277	942628812	/nfs/dbraw/zinc/62/88/12/942628812.db2.gz	PJCBUWNRQTWDCH-UHFFFAOYSA-N	-1	0	312.326	0.614	20	30		DCEDRM
C=C(C)CN1CC[C@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)C1=O	ZINC001272356030	942712733	/nfs/dbraw/zinc/71/27/33/942712733.db2.gz	QDPRHUUAAXBPMB-MRXNPFEDSA-N	-1	0	318.377	0.766	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCn2cnnc2)c(F)c1	ZINC001413351162	942918142	/nfs/dbraw/zinc/91/81/42/942918142.db2.gz	GHOSYXWRQCDPDU-UHFFFAOYSA-N	-1	0	313.289	0.406	20	30		DCEDRM
COC[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1nnn[n-]1	ZINC001413556207	943073785	/nfs/dbraw/zinc/07/37/85/943073785.db2.gz	RQFKGQKAUIGVDQ-SNVBAGLBSA-N	-1	0	306.713	0.842	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001484238721	943240851	/nfs/dbraw/zinc/24/08/51/943240851.db2.gz	LESVHQQMIXGDAC-HUUCEWRRSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C#CCCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001486152494	944607679	/nfs/dbraw/zinc/60/76/79/944607679.db2.gz	SYSOLLDGNOGMGY-BLLLJJGKSA-N	-1	0	317.393	0.927	20	30		DCEDRM
C=CCCOCC(=O)N(CC)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001318493220	945386039	/nfs/dbraw/zinc/38/60/39/945386039.db2.gz	YBXSOEGGNDJOTR-LBPRGKRZSA-N	-1	0	323.397	0.526	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001602675478	971249500	/nfs/dbraw/zinc/24/95/00/971249500.db2.gz	WMHYJRHGBKDLGU-CYBMUJFWSA-N	-1	0	318.329	0.143	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)c2cnc3ccccc3c2O)n1	ZINC001322490456	946696338	/nfs/dbraw/zinc/69/63/38/946696338.db2.gz	NMQXHSUAIURLPP-UHFFFAOYSA-N	-1	0	308.301	0.421	20	30		DCEDRM
C=CC[C@H](NC(=O)/C=C/c1cncc(C(=O)NC)c1)C(=O)[O-]	ZINC001322598687	946741546	/nfs/dbraw/zinc/74/15/46/946741546.db2.gz	FIGMLQFWFXBCMB-FYJFLYSWSA-N	-1	0	303.318	0.600	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1c(C)nc(SC)[nH]c1=O	ZINC001602683076	971270795	/nfs/dbraw/zinc/27/07/95/971270795.db2.gz	YBFVLJMUAGLWBT-UHFFFAOYSA-N	-1	0	323.374	0.692	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1nc(-c2ccoc2)no1	ZINC001602683086	971272044	/nfs/dbraw/zinc/27/20/44/971272044.db2.gz	YINRLQMSXQNEQD-UHFFFAOYSA-N	-1	0	303.274	0.809	20	30		DCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C(N)=O	ZINC001258036326	946792413	/nfs/dbraw/zinc/79/24/13/946792413.db2.gz	WLJCCKAQHSKNAH-UHFFFAOYSA-N	-1	0	305.319	0.191	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(N2C(=O)CCC2=O)c1	ZINC001602692096	971300773	/nfs/dbraw/zinc/30/07/73/971300773.db2.gz	FMPDVZSWLNHRDU-UHFFFAOYSA-N	-1	0	314.297	0.500	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)ccc1F	ZINC001259412600	946955835	/nfs/dbraw/zinc/95/58/35/946955835.db2.gz	MUPZTKJHNSFRCY-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1	ZINC001602695699	971311091	/nfs/dbraw/zinc/31/10/91/971311091.db2.gz	QGNKXQGEHMFNDE-NSHDSACASA-N	-1	0	304.350	0.234	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2nc(C)no2)n1CC(=C)C	ZINC001602699075	971314778	/nfs/dbraw/zinc/31/47/78/971314778.db2.gz	HMBNIDIOZDEYAK-UHFFFAOYSA-N	-1	0	316.321	0.737	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cc(C)nnc2C)n1C	ZINC001602699047	971315061	/nfs/dbraw/zinc/31/50/61/971315061.db2.gz	DCVIVGQXHXGIJL-UHFFFAOYSA-N	-1	0	300.322	0.413	20	30		DCEDRM
COCCS(=O)(=O)[N-]c1sc2c(c1C#N)CCN(C)C2	ZINC001259965685	947040128	/nfs/dbraw/zinc/04/01/28/947040128.db2.gz	HMVZLZREEHNPDU-UHFFFAOYSA-N	-1	0	315.420	0.996	20	30		DCEDRM
Cc1noc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1C(N)=O	ZINC001260037994	947052199	/nfs/dbraw/zinc/05/21/99/947052199.db2.gz	KCCCOVUUDZDVLP-UHFFFAOYSA-N	-1	0	320.330	0.896	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)C=C)n1C[C@@H]1CCCO1	ZINC001602700600	971319346	/nfs/dbraw/zinc/31/93/46/971319346.db2.gz	AQUZDRFGFBBHRC-RYUDHWBXSA-N	-1	0	320.349	0.201	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2nccn2C)n1CC	ZINC001602700893	971322376	/nfs/dbraw/zinc/32/23/76/971322376.db2.gz	NDZZSKIGNVAESI-UHFFFAOYSA-N	-1	0	302.338	0.147	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)OC	ZINC001260192391	947082237	/nfs/dbraw/zinc/08/22/37/947082237.db2.gz	KOBKPLRCYKAVRZ-LLVKDONJSA-N	-1	0	313.331	0.781	20	30		DCEDRM
CCOC(=O)C(C#N)NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC001260231372	947088598	/nfs/dbraw/zinc/08/85/98/947088598.db2.gz	NLWAZOVXHHEBML-JTQLQIEISA-N	-1	0	312.303	0.118	20	30		DCEDRM
N#C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260398159	947097491	/nfs/dbraw/zinc/09/74/91/947097491.db2.gz	UNNZQDDQQJLRNS-YUMQZZPRSA-N	-1	0	314.294	0.715	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1	ZINC001602701951	971328572	/nfs/dbraw/zinc/32/85/72/971328572.db2.gz	DJTTZWMWIGXMQQ-AWEZNQCLSA-N	-1	0	320.389	0.865	20	30		DCEDRM
COc1ncnc([N-]S(=O)(=O)c2cn(C)c(C)n2)c1C#N	ZINC001260543378	947110112	/nfs/dbraw/zinc/11/01/12/947110112.db2.gz	UMNQCZDCCUAAJU-UHFFFAOYSA-N	-1	0	308.323	0.200	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1sc2c(c1C#N)CCC2	ZINC001260583705	947115547	/nfs/dbraw/zinc/11/55/47/947115547.db2.gz	KQNHNLFVQRORON-UHFFFAOYSA-N	-1	0	320.417	0.852	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1	ZINC001602704516	971335226	/nfs/dbraw/zinc/33/52/26/971335226.db2.gz	JFRCCSINVHRBET-CYBMUJFWSA-N	-1	0	302.286	0.544	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCCCC(N)=O)CCC1	ZINC001261204719	947220698	/nfs/dbraw/zinc/22/06/98/947220698.db2.gz	BPVMVVXCLVVZHI-UHFFFAOYSA-N	-1	0	301.368	0.172	20	30		DCEDRM
CC(C)(C)O[N-]C(=O)C/N=C1/NS(=O)(=O)c2ccccc21	ZINC001324576838	947463105	/nfs/dbraw/zinc/46/31/05/947463105.db2.gz	JFYCWAGQSUELMS-UHFFFAOYSA-N	-1	0	311.363	0.571	20	30		DCEDRM
C=CCN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[C@H](C)COC	ZINC001602721989	971384918	/nfs/dbraw/zinc/38/49/18/971384918.db2.gz	MPSTZUDYQMUFPE-VXGBXAGGSA-N	-1	0	312.366	0.359	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)C1(C(=O)[O-])CCSCC1	ZINC001602723116	971392936	/nfs/dbraw/zinc/39/29/36/971392936.db2.gz	NCPJVVRATONZGS-SECBINFHSA-N	-1	0	301.364	0.818	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C(=O)[O-])C(C)C	ZINC001602722954	971391127	/nfs/dbraw/zinc/39/11/27/971391127.db2.gz	CJXKEZODOUYTIT-IUCAKERBSA-N	-1	0	300.311	0.287	20	30		DCEDRM
C=CCN1CC[C@H](OC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)C1=O	ZINC001602723129	971394113	/nfs/dbraw/zinc/39/41/13/971394113.db2.gz	NTDBJJMAKVNOKM-UTUOFQBUSA-N	-1	0	311.334	0.586	20	30		DCEDRM
CCOC(=O)COc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC001324882044	947564333	/nfs/dbraw/zinc/56/43/33/947564333.db2.gz	DXGJHKXLQNWWQD-UHFFFAOYSA-N	-1	0	306.278	0.513	20	30		DCEDRM
C=CCn1c(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001602730010	971405094	/nfs/dbraw/zinc/40/50/94/971405094.db2.gz	PQAOEZBFXUBNPY-QWRGUYRKSA-N	-1	0	306.366	0.993	20	30		DCEDRM
COCCO[N-]C(=O)C(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC001325701287	947885760	/nfs/dbraw/zinc/88/57/60/947885760.db2.gz	CABGYOJOMAGDGZ-AWEZNQCLSA-N	-1	0	317.345	0.746	20	30		DCEDRM
N#CCS(=O)(=O)Nc1cc(-c2ccccc2)nn1CCO	ZINC001192938100	948005778	/nfs/dbraw/zinc/00/57/78/948005778.db2.gz	AAIWFKHCNDODLS-UHFFFAOYSA-N	-1	0	306.347	0.808	20	30		DCEDRM
N#CCCCCS(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-]	ZINC001326462334	948171258	/nfs/dbraw/zinc/17/12/58/948171258.db2.gz	QVLLCYUJDWZCEB-JTQLQIEISA-N	-1	0	312.351	0.086	20	30		DCEDRM
C=C[C@H](CC)CC(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001487979212	948401370	/nfs/dbraw/zinc/40/13/70/948401370.db2.gz	VGCBDKCNNZAULY-GHMZBOCLSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C=CCNc1ncc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)s1	ZINC001263885487	948794641	/nfs/dbraw/zinc/79/46/41/948794641.db2.gz	ZJXXHAZXXJLZPC-MRVPVSSYSA-N	-1	0	305.367	0.884	20	30		DCEDRM
CN(C)c1ccnc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)c1	ZINC001570932705	948862337	/nfs/dbraw/zinc/86/23/37/948862337.db2.gz	WQEQYXGIUJNGBR-UHFFFAOYSA-N	-1	0	322.336	0.601	20	30		DCEDRM
CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC(C#N)CC2)C1	ZINC001589585031	949038563	/nfs/dbraw/zinc/03/85/63/949038563.db2.gz	YQVAUZYONGIBPF-MRXNPFEDSA-N	-1	0	321.377	0.852	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC001602796926	971565484	/nfs/dbraw/zinc/56/54/84/971565484.db2.gz	LHMSYUXHICLKMQ-NXEZZACHSA-N	-1	0	311.338	0.679	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cnc2c(c1)CNC2=O	ZINC001364421169	949246241	/nfs/dbraw/zinc/24/62/41/949246241.db2.gz	MHIUEAXUABQPJD-UHFFFAOYSA-N	-1	0	309.285	0.858	20	30		DCEDRM
CO[C@H]1COCC[C@H]1[N@H+](C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364480588	949390326	/nfs/dbraw/zinc/39/03/26/949390326.db2.gz	VRMBFAIUDKIURJ-OLZOCXBDSA-N	-1	0	317.349	0.542	20	30		DCEDRM
C[C@@H](NCC#N)[C@@H](C)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001329202466	949431619	/nfs/dbraw/zinc/43/16/19/949431619.db2.gz	KOIVSXGPEFJOHU-HTQZYQBOSA-N	-1	0	308.304	0.450	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H](C)[S@@]1=O	ZINC001589624882	949462948	/nfs/dbraw/zinc/46/29/48/949462948.db2.gz	OFEHUQVZUUNDOZ-HYFWBPNZSA-N	-1	0	300.380	0.749	20	30		DCEDRM
O=C([O-])[C@@]1(C(=O)N2CCC3(CC2)CC(=O)C=CO3)CCCO1	ZINC001595280291	949974739	/nfs/dbraw/zinc/97/47/39/949974739.db2.gz	WXPSWCNJWKFBIY-HNNXBMFYSA-N	-1	0	309.318	0.485	20	30		DCEDRM
CC1(C)CC[C@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365172226	950659149	/nfs/dbraw/zinc/65/91/49/950659149.db2.gz	UAFKNHBKURHYDL-SNVBAGLBSA-N	-1	0	305.338	0.308	20	30		DCEDRM
CC(C)(C)[S@](=O)CCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001573876931	950684144	/nfs/dbraw/zinc/68/41/44/950684144.db2.gz	WVQNGTMQENIVPK-JOCHJYFZSA-N	-1	0	320.382	0.487	20	30		DCEDRM
Cc1nccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1Cl	ZINC001365195693	950710240	/nfs/dbraw/zinc/71/02/40/950710240.db2.gz	REGSXLQOOQKJNB-UHFFFAOYSA-N	-1	0	319.708	0.238	20	30		DCEDRM
CC(=O)Nc1ccc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)c(F)c1	ZINC001365217530	950754777	/nfs/dbraw/zinc/75/47/77/950754777.db2.gz	PVBGMXRQSBRVCC-UHFFFAOYSA-N	-1	0	318.264	0.835	20	30		DCEDRM
COc1ccc(CNC(=O)C(=O)[N-]OCC(C)C)cc1C#N	ZINC001331719718	951269961	/nfs/dbraw/zinc/26/99/61/951269961.db2.gz	AYZXPYHOCUHFPY-UHFFFAOYSA-N	-1	0	305.334	0.887	20	30		DCEDRM
O=C([O-])CCCC=NNC(=S)NCCN1CCOCC1	ZINC001595031861	951377085	/nfs/dbraw/zinc/37/70/85/951377085.db2.gz	ZTWDZIIUADINIV-UHFFFAOYSA-N	-1	0	302.400	0.023	20	30		DCEDRM
C=CCNC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ncc[n-]1)CC2	ZINC001275462497	952165801	/nfs/dbraw/zinc/16/58/01/952165801.db2.gz	ZYTATKXQCBVFLX-NSHDSACASA-N	-1	0	324.406	0.503	20	30		DCEDRM
C=CCOCC(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001334189049	952256489	/nfs/dbraw/zinc/25/64/89/952256489.db2.gz	HSJSDVFWBWQOMM-SECBINFHSA-N	-1	0	310.354	0.203	20	30		DCEDRM
C#CCCCC(=O)N(C)[C@H](C)CNC(=O)c1cnc[nH]c1=O	ZINC001334352655	952293551	/nfs/dbraw/zinc/29/35/51/952293551.db2.gz	FLGIXFLWWBGLNU-LLVKDONJSA-N	-1	0	304.350	0.562	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC001411609959	952321359	/nfs/dbraw/zinc/32/13/59/952321359.db2.gz	AXKGNCZBGYJUOB-JTQLQIEISA-N	-1	0	309.347	0.226	20	30		DCEDRM
COCC[C@](C)(C#N)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001336307990	952675174	/nfs/dbraw/zinc/67/51/74/952675174.db2.gz	JZAYEWIHNPFYEA-OAHLLOKOSA-N	-1	0	308.382	0.810	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1[C@H](C)C(=O)N[C@H](C)[C@H]1C	ZINC001412296779	952735721	/nfs/dbraw/zinc/73/57/21/952735721.db2.gz	GVBZUJSKZCEXPD-OPRDCNLKSA-N	-1	0	302.334	0.705	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C	ZINC001412579129	952909647	/nfs/dbraw/zinc/90/96/47/952909647.db2.gz	SHDVQJNWOFLYDV-VHSXEESVSA-N	-1	0	323.374	0.615	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1C[C@@H](C)O[C@H](CC)C1	ZINC001339091480	953072416	/nfs/dbraw/zinc/07/24/16/953072416.db2.gz	UXUCAHCXXNAZKF-NXEZZACHSA-N	-1	0	304.358	0.648	20	30		DCEDRM
C[C@@H](C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)[C@H]1CCCO1	ZINC001412791613	953095050	/nfs/dbraw/zinc/09/50/50/953095050.db2.gz	CCYNONPSUYDXJT-BXKDBHETSA-N	-1	0	318.333	0.019	20	30		DCEDRM
C=CC[C@@H](NC(=O)Cc1cnn(-c2ccccc2)n1)C(=O)[O-]	ZINC001339865331	953125934	/nfs/dbraw/zinc/12/59/34/953125934.db2.gz	UARMKZGYWIZZEQ-CYBMUJFWSA-N	-1	0	300.318	0.955	20	30		DCEDRM
COC(=O)Cn1cccc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001341802765	953251148	/nfs/dbraw/zinc/25/11/48/953251148.db2.gz	MJMNOSMWGZWDRR-UHFFFAOYSA-N	-1	0	307.335	0.092	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)n(C)n1	ZINC001342039356	953266236	/nfs/dbraw/zinc/26/62/36/953266236.db2.gz	YBXLADNEOZPMLD-ZETCQYMHSA-N	-1	0	318.255	0.524	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)Cc1cnn(C)c1	ZINC001342242200	953278521	/nfs/dbraw/zinc/27/85/21/953278521.db2.gz	WDJARUPRPXVTAW-UHFFFAOYSA-N	-1	0	314.353	0.058	20	30		DCEDRM
C#CCN(CC#CC)c1nnc(CCc2nn[nH]n2)n1CC(=C)C	ZINC001342313358	953283317	/nfs/dbraw/zinc/28/33/17/953283317.db2.gz	FDIOMZANGZBACR-UHFFFAOYSA-N	-1	0	324.392	0.615	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(CNC(N)=O)cc1	ZINC001342522521	953293628	/nfs/dbraw/zinc/29/36/28/953293628.db2.gz	WLCAKNCRFPRTBB-CYBMUJFWSA-N	-1	0	314.345	0.800	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@@H](C#N)C1	ZINC001342911633	953313901	/nfs/dbraw/zinc/31/39/01/953313901.db2.gz	LENDZMGEFZYTGH-NSHDSACASA-N	-1	0	313.365	0.818	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CC1(CS(C)(=O)=O)CC1	ZINC001343310802	953336618	/nfs/dbraw/zinc/33/66/18/953336618.db2.gz	BKBPLCJZXYVWJZ-JTQLQIEISA-N	-1	0	323.374	0.527	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cnc2nccnc2c1	ZINC001344024428	953407627	/nfs/dbraw/zinc/40/76/27/953407627.db2.gz	VVRUHEVQQAKUIM-JTQLQIEISA-N	-1	0	306.285	0.964	20	30		DCEDRM
C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])O2)CO1	ZINC001589296280	953650185	/nfs/dbraw/zinc/65/01/85/953650185.db2.gz	MNLUNTHOHMPGQB-BAESOJJISA-N	-1	0	310.350	0.834	20	30		DCEDRM
CCOCCn1cc(C([O-])=C(C#N)C(=O)NCCOC)cn1	ZINC001346121683	953806048	/nfs/dbraw/zinc/80/60/48/953806048.db2.gz	GLQUVDHNHAGDHZ-GFCCVEGCSA-N	-1	0	308.338	0.005	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)nn1C	ZINC001346227527	953826155	/nfs/dbraw/zinc/82/61/55/953826155.db2.gz	AGKFNMSAQGLPMS-SSDOTTSWSA-N	-1	0	318.255	0.524	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C[C@H]1CCOC1	ZINC001346516539	953908484	/nfs/dbraw/zinc/90/84/84/953908484.db2.gz	RNOLYFHOFUDCBL-LLVKDONJSA-N	-1	0	318.381	0.551	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)CC[C@H]1C(=O)[O-]	ZINC001589367819	954207932	/nfs/dbraw/zinc/20/79/32/954207932.db2.gz	ZYOJLKXZJONEOH-MWLCHTKSSA-N	-1	0	316.317	0.461	20	30		DCEDRM
CN(C)c1nc(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])cs1	ZINC001593715440	954214503	/nfs/dbraw/zinc/21/45/03/954214503.db2.gz	PUNQOABGHXVQIX-CYBMUJFWSA-N	-1	0	310.379	0.872	20	30		DCEDRM
CN([C@H]1CCC[C@H]1C#N)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001593716843	954228817	/nfs/dbraw/zinc/22/88/17/954228817.db2.gz	NCWDAVBQKHOZKU-RYUDHWBXSA-N	-1	0	315.395	0.652	20	30		DCEDRM
O=C(C#Cc1cccs1)NCc1nc2c(c(=O)[nH]1)COCC2	ZINC001352253346	955563483	/nfs/dbraw/zinc/56/34/83/955563483.db2.gz	HGYZSRDBRCLHTN-UHFFFAOYSA-N	-1	0	315.354	0.984	20	30		DCEDRM
COC(=O)c1cccc(COC(=O)[C@@](C)(OC)C(=O)[O-])c1C#N	ZINC001593885543	955743350	/nfs/dbraw/zinc/74/33/50/955743350.db2.gz	NKACICZDNTUHPL-HNNXBMFYSA-N	-1	0	321.285	0.878	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001594587529	956013259	/nfs/dbraw/zinc/01/32/59/956013259.db2.gz	ITNXAAJZIPAURT-STQMWFEESA-N	-1	0	314.301	0.267	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001594588878	956027749	/nfs/dbraw/zinc/02/77/49/956027749.db2.gz	LLNYVUWMYWIFBJ-ZDUSSCGKSA-N	-1	0	314.305	0.041	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC001594588917	956028704	/nfs/dbraw/zinc/02/87/04/956028704.db2.gz	MZIWAWKUPRIUBM-GFCCVEGCSA-N	-1	0	306.322	0.372	20	30		DCEDRM
N#CC1CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	ZINC001594605304	956164314	/nfs/dbraw/zinc/16/43/14/956164314.db2.gz	ATZGXHJSYOXMDO-UHFFFAOYSA-N	-1	0	314.363	0.028	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1	ZINC001594606465	956182535	/nfs/dbraw/zinc/18/25/35/956182535.db2.gz	VAOSGIIPLDQQFV-HNNXBMFYSA-N	-1	0	317.301	0.200	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NCC2(C(=O)[O-])CCOCC2)cc1	ZINC001594622638	956290867	/nfs/dbraw/zinc/29/08/67/956290867.db2.gz	CKIAPSZCCUZDBB-UHFFFAOYSA-N	-1	0	317.345	0.968	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)c1ccc(C(=O)[O-])cn1	ZINC001594632239	956351340	/nfs/dbraw/zinc/35/13/40/956351340.db2.gz	YVEXCHBTFSZXQN-UHFFFAOYSA-N	-1	0	311.301	0.888	20	30		DCEDRM
COCC#CC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1	ZINC001593950577	956376860	/nfs/dbraw/zinc/37/68/60/956376860.db2.gz	CEPFUDGDCNBRTI-RYUDHWBXSA-N	-1	0	305.334	0.087	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001287593514	956403026	/nfs/dbraw/zinc/40/30/26/956403026.db2.gz	GQTKXRSFNMWUSV-ONGXEEELSA-N	-1	0	324.381	0.592	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1	ZINC001589188031	956574357	/nfs/dbraw/zinc/57/43/57/956574357.db2.gz	PBQLEVGPLGDRDO-XHDPSFHLSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC001603121110	972206656	/nfs/dbraw/zinc/20/66/56/972206656.db2.gz	SNCQTNOKIKPBOM-MRVPVSSYSA-N	-1	0	323.280	0.646	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1	ZINC001289465752	956750982	/nfs/dbraw/zinc/75/09/82/956750982.db2.gz	JWJOOYKOATWQMI-GHMZBOCLSA-N	-1	0	322.365	0.346	20	30		DCEDRM
C#CCSCCNS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000389181420	972210701	/nfs/dbraw/zinc/21/07/01/972210701.db2.gz	KXBFHJHYTLDCOI-UHFFFAOYSA-N	-1	0	300.361	0.425	20	30		DCEDRM
C#CCCCC(=O)N(C)CCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001294031328	957467881	/nfs/dbraw/zinc/46/78/81/957467881.db2.gz	WZOOXMVZDCDWPJ-UHFFFAOYSA-N	-1	0	306.366	0.806	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001295106379	957640992	/nfs/dbraw/zinc/64/09/92/957640992.db2.gz	MYRJAAWABBUABX-XYPYZODXSA-N	-1	0	304.350	0.460	20	30		DCEDRM
Cc1cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)ncc1C#N	ZINC001594289816	957820089	/nfs/dbraw/zinc/82/00/89/957820089.db2.gz	DZJCMWNEYVCZEN-UHFFFAOYSA-N	-1	0	315.289	0.337	20	30		DCEDRM
C#C[C@H](OC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC1	ZINC001588385258	957967943	/nfs/dbraw/zinc/96/79/43/957967943.db2.gz	BSFZJYHDZNFEPC-JTQLQIEISA-N	-1	0	300.332	0.221	20	30		DCEDRM
COc1cc(C(=O)OCc2cn(CC(=O)[O-])nn2)ccc1C#N	ZINC001594050977	957990181	/nfs/dbraw/zinc/99/01/81/957990181.db2.gz	SOAWGFAEJDXRGU-UHFFFAOYSA-N	-1	0	316.273	0.600	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588389410	958008978	/nfs/dbraw/zinc/00/89/78/958008978.db2.gz	UVIJQYJLNLPRFH-BTJONVMOSA-N	-1	0	324.377	0.736	20	30		DCEDRM
C#CCCOC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001588396148	958047967	/nfs/dbraw/zinc/04/79/67/958047967.db2.gz	QIAOCLGBHBWLGI-LLVKDONJSA-N	-1	0	308.334	0.544	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])ncc1C#N	ZINC001594313272	958048551	/nfs/dbraw/zinc/04/85/51/958048551.db2.gz	CVFCQXJAMKDLBV-SECBINFHSA-N	-1	0	304.306	0.379	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N([C@H](C)C(=O)[O-])C2CC2)ncc1C#N	ZINC001594313786	958051073	/nfs/dbraw/zinc/05/10/73/958051073.db2.gz	RRBUMQZESTUQHE-SECBINFHSA-N	-1	0	316.317	0.664	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CSC(c2ccccc2O)=N1	ZINC001588400513	958084722	/nfs/dbraw/zinc/08/47/22/958084722.db2.gz	ZSSGMGLEDKVIDA-NSHDSACASA-N	-1	0	318.354	0.801	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1noc(COCC)n1	ZINC001588410467	958139558	/nfs/dbraw/zinc/13/95/58/958139558.db2.gz	VHTSEULKPZSSNC-SECBINFHSA-N	-1	0	310.310	0.397	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(N(C)C(C)=O)nc1	ZINC001588412972	958154621	/nfs/dbraw/zinc/15/46/21/958154621.db2.gz	PAUKOBHSQGZKSH-UHFFFAOYSA-N	-1	0	304.306	0.616	20	30		DCEDRM
CNC(=O)C[C@H](C)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001361664266	958192844	/nfs/dbraw/zinc/19/28/44/958192844.db2.gz	GTVSKKCITWLZHO-ZETCQYMHSA-N	-1	0	308.363	0.635	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnc(O[C@H]2CCOC2)c1	ZINC001588419222	958194358	/nfs/dbraw/zinc/19/43/58/958194358.db2.gz	YHNNAENNFJAAMW-LBPRGKRZSA-N	-1	0	304.302	0.409	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnnn1Cc1noc2c1CCCC2	ZINC001588426779	958234202	/nfs/dbraw/zinc/23/42/02/958234202.db2.gz	BPNNUQLJFVFIBW-UHFFFAOYSA-N	-1	0	316.321	0.112	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2(CO)CCC2)n1CC(C)C	ZINC001588427386	958244218	/nfs/dbraw/zinc/24/42/18/958244218.db2.gz	VUEXMQDDOCPMTO-UHFFFAOYSA-N	-1	0	320.393	0.872	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](CO)CC(C)(C)C)n1C	ZINC001588427361	958244237	/nfs/dbraw/zinc/24/42/37/958244237.db2.gz	VEMIFXLTGCSZKO-LLVKDONJSA-N	-1	0	308.382	0.851	20	30		DCEDRM
C#CCn1cc(CNC(=O)C2(CC(=O)[O-])CCOCC2)cn1	ZINC001588433175	958292891	/nfs/dbraw/zinc/29/28/91/958292891.db2.gz	LZRXCHAKEDOPJK-UHFFFAOYSA-N	-1	0	305.334	0.404	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)NC[C@H](C)C(=O)[O-])c1	ZINC001588439212	958313641	/nfs/dbraw/zinc/31/36/41/958313641.db2.gz	JPQBDKXZIISVPV-JTQLQIEISA-N	-1	0	303.318	0.626	20	30		DCEDRM
COc1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1C#N	ZINC001594093922	958383631	/nfs/dbraw/zinc/38/36/31/958383631.db2.gz	ATGOBSHHNMVDMK-GFCCVEGCSA-N	-1	0	324.358	0.250	20	30		DCEDRM
COC(=O)C[C@H](C)Sc1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001604932070	1169752470	/nfs/dbraw/zinc/75/24/70/1169752470.db2.gz	PNNRWMWRWFDUFV-LURJTMIESA-N	-1	0	305.323	0.572	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C	ZINC001361860126	958416950	/nfs/dbraw/zinc/41/69/50/958416950.db2.gz	BXPIKSKOHOTROB-UWVGGRQHSA-N	-1	0	302.334	0.693	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588452424	958421643	/nfs/dbraw/zinc/42/16/43/958421643.db2.gz	AYYWCVPCTIMXFZ-SECBINFHSA-N	-1	0	307.306	0.019	20	30		DCEDRM
N#CCc1cccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1	ZINC001361869028	958426618	/nfs/dbraw/zinc/42/66/18/958426618.db2.gz	GUNPFEQFITXTAA-UHFFFAOYSA-N	-1	0	309.289	0.171	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C	ZINC001573317847	958456211	/nfs/dbraw/zinc/45/62/11/958456211.db2.gz	NXADHAVUPNJEJG-NSHDSACASA-N	-1	0	310.350	0.932	20	30		DCEDRM
C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1	ZINC001573327803	958493138	/nfs/dbraw/zinc/49/31/38/958493138.db2.gz	WKARPJDBBZOBRY-ZIAGYGMSSA-N	-1	0	314.341	0.858	20	30		DCEDRM
C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001573337921	958526809	/nfs/dbraw/zinc/52/68/09/958526809.db2.gz	YDPYVCFPYDGENU-GFCCVEGCSA-N	-1	0	317.301	0.770	20	30		DCEDRM
C=CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1[C@@]1(OC)CCOC1	ZINC001588471575	958535341	/nfs/dbraw/zinc/53/53/41/958535341.db2.gz	BDSHXXKCURZRML-IAQYHMDHSA-N	-1	0	322.365	0.637	20	30		DCEDRM
C=CCn1c(C[S@@](C)=O)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588473071	958549731	/nfs/dbraw/zinc/54/97/31/958549731.db2.gz	WSQUHPIDIZJMKC-LRTDBIEQSA-N	-1	0	312.395	0.644	20	30		DCEDRM
C=CCn1c([C@H](O)COC)nnc1N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC001588473367	958552235	/nfs/dbraw/zinc/55/22/35/958552235.db2.gz	YKFUMRQLPJQXTB-IJLUTSLNSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=CCn1cc(CNC(=O)c2ccc(OCC(=O)[O-])cc2)nn1	ZINC001588474643	958556263	/nfs/dbraw/zinc/55/62/63/958556263.db2.gz	LTGJUESHNRUXCG-UHFFFAOYSA-N	-1	0	316.317	0.858	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCS(=O)(=O)C(F)(F)F	ZINC001573363687	958608350	/nfs/dbraw/zinc/60/83/50/958608350.db2.gz	LCHGJVQCIZCTCL-QMMMGPOBSA-N	-1	0	316.257	0.042	20	30		DCEDRM
CCN(Cc1ccccn1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362413759	959309384	/nfs/dbraw/zinc/30/93/84/959309384.db2.gz	BYNDQHRGQBBROD-UHFFFAOYSA-N	-1	0	313.317	0.264	20	30		DCEDRM
CCC[C@H](CCO)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362438235	959355057	/nfs/dbraw/zinc/35/50/57/959355057.db2.gz	KJHZBBARBNIFSY-LLVKDONJSA-N	-1	0	322.365	0.126	20	30		DCEDRM
COCCC1(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001362476540	959429553	/nfs/dbraw/zinc/42/95/53/959429553.db2.gz	BKRMVJZWRFFNPO-UHFFFAOYSA-N	-1	0	320.349	0.286	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC[C@@H]1[C@@H]1CCCO1	ZINC001362523258	959518142	/nfs/dbraw/zinc/51/81/42/959518142.db2.gz	BRDNNAOULFZRLR-OLZOCXBDSA-N	-1	0	317.345	0.987	20	30		DCEDRM
COCC[C@]1(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CCOC1	ZINC001362581824	959640351	/nfs/dbraw/zinc/64/03/51/959640351.db2.gz	IUNXIKASXBDPJK-HNNXBMFYSA-N	-1	0	305.334	0.893	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1CCN(C)C(=O)C1	ZINC001362592389	959657698	/nfs/dbraw/zinc/65/76/98/959657698.db2.gz	XNYUVDSFPCNDFD-JTQLQIEISA-N	-1	0	302.334	0.566	20	30		DCEDRM
COc1cc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)ccn1	ZINC001362692310	959841716	/nfs/dbraw/zinc/84/17/16/959841716.db2.gz	XIRHQWBIABBNEF-UHFFFAOYSA-N	-1	0	315.289	0.253	20	30		DCEDRM
N#Cc1cccc(NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)c1	ZINC001362710735	959871425	/nfs/dbraw/zinc/87/14/25/959871425.db2.gz	AUEBQQUCGWMXAW-UHFFFAOYSA-N	-1	0	312.289	0.091	20	30		DCEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001603268750	972469857	/nfs/dbraw/zinc/46/98/57/972469857.db2.gz	OIWWPBZMEZUUIK-NOZJJQNGSA-N	-1	0	307.306	0.485	20	30		DCEDRM
CC[C@@H]1CCC[C@H]1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362867085	960108396	/nfs/dbraw/zinc/10/83/96/960108396.db2.gz	GBDAAPMHGSTJCN-MNOVXSKESA-N	-1	0	304.350	0.763	20	30		DCEDRM
COc1nsc(OC)c1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362866608	960108549	/nfs/dbraw/zinc/10/85/49/960108549.db2.gz	RJJLLHHFNQQRKM-UHFFFAOYSA-N	-1	0	304.291	0.879	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1(C)C	ZINC001362874390	960120350	/nfs/dbraw/zinc/12/03/50/960120350.db2.gz	BNXPYBJBYUUSHE-LLVKDONJSA-N	-1	0	320.349	0.094	20	30		DCEDRM
C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362876964	960122324	/nfs/dbraw/zinc/12/23/24/960122324.db2.gz	KYPHFWBCQLMXLK-IWIIMEHWSA-N	-1	0	304.350	0.761	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)Nc1n[nH]nc1C(=O)NC1CC1	ZINC001311311136	960246938	/nfs/dbraw/zinc/24/69/38/960246938.db2.gz	FSVUUOISWYISIL-SECBINFHSA-N	-1	0	320.353	0.247	20	30		DCEDRM
CCCc1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)no1	ZINC001363127074	960438840	/nfs/dbraw/zinc/43/88/40/960438840.db2.gz	HQJKWWRVDHJXAS-UHFFFAOYSA-N	-1	0	317.305	0.191	20	30		DCEDRM
CCO[C@H]1COCC[C@H]1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363162647	960511257	/nfs/dbraw/zinc/51/12/57/960511257.db2.gz	XCHNTACASGZAJP-CABZTGNLSA-N	-1	0	303.322	0.923	20	30		DCEDRM
CCO[C@@H]1COCC[C@H]1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363162650	960513797	/nfs/dbraw/zinc/51/37/97/960513797.db2.gz	XCHNTACASGZAJP-JOYOIKCWSA-N	-1	0	303.322	0.923	20	30		DCEDRM
C[C@@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@H](C)[S@@]1=O	ZINC001363229521	960651087	/nfs/dbraw/zinc/65/10/87/960651087.db2.gz	ZMVDEGIBWPUZQW-ONPAFVRTSA-N	-1	0	319.390	0.648	20	30		DCEDRM
CC(C)(NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCCCO1	ZINC001363272118	960750978	/nfs/dbraw/zinc/75/09/78/960750978.db2.gz	UJSBJHZJPPCTTL-LLVKDONJSA-N	-1	0	320.349	0.284	20	30		DCEDRM
C[C@H](O)C1CC[NH+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC1	ZINC001363288869	960794285	/nfs/dbraw/zinc/79/42/85/960794285.db2.gz	BHAKQPABHCURLP-JTQLQIEISA-N	-1	0	301.350	0.899	20	30		DCEDRM
Cc1ccc(F)c(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001363288741	960799281	/nfs/dbraw/zinc/79/92/81/960799281.db2.gz	UPPFHBLDADUONF-UHFFFAOYSA-N	-1	0	316.292	0.698	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](O)[C@@H](C)O	ZINC001363363624	960989240	/nfs/dbraw/zinc/98/92/40/960989240.db2.gz	JXEGTOLIDUHYCN-MFKMUULPSA-N	-1	0	307.350	0.066	20	30		DCEDRM
N#CCc1cccc(NC(=O)N[C@]2(CC(=O)[O-])CCOC2)n1	ZINC001571085341	961051415	/nfs/dbraw/zinc/05/14/15/961051415.db2.gz	NNHOGSKTYSDARH-AWEZNQCLSA-N	-1	0	304.306	0.903	20	30		DCEDRM
N#C[C@@]1(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CCCOC1	ZINC001571085807	961058363	/nfs/dbraw/zinc/05/83/63/961058363.db2.gz	TZMWORRHISFWSJ-AWEZNQCLSA-N	-1	0	304.306	0.354	20	30		DCEDRM
CCOC(=O)[C@H](CSC)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363402414	961082238	/nfs/dbraw/zinc/08/22/38/961082238.db2.gz	OIGRUYCGPWALRT-JTQLQIEISA-N	-1	0	323.374	0.992	20	30		DCEDRM
COc1csc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001363483658	961249763	/nfs/dbraw/zinc/24/97/63/961249763.db2.gz	NYXHMAUUOPFPTN-UHFFFAOYSA-N	-1	0	320.330	0.321	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1Cc2cnccc2NC1=O	ZINC001363550381	961418746	/nfs/dbraw/zinc/41/87/46/961418746.db2.gz	RRSLDIPCCGAFDS-LBPRGKRZSA-N	-1	0	323.312	0.656	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3ccnc(C(=O)[O-])n3)C[C@H]2C1	ZINC001571125452	961489187	/nfs/dbraw/zinc/48/91/87/961489187.db2.gz	GVIFEQRIJHHXFU-GARJFASQSA-N	-1	0	315.333	0.229	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001571125849	961495909	/nfs/dbraw/zinc/49/59/09/961495909.db2.gz	ISNFZHMQJXYHSP-OOCWMUITSA-N	-1	0	315.395	0.554	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@](C)(CNc2ncc(C(=O)[O-])cn2)C1	ZINC001571133475	961591756	/nfs/dbraw/zinc/59/17/56/961591756.db2.gz	OSXQTNAFQISACE-ZUZCIYMTSA-N	-1	0	317.349	0.985	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCc2nnc(C3CC3)[nH]2)CC1	ZINC001571139844	961652776	/nfs/dbraw/zinc/65/27/76/961652776.db2.gz	OIHUGOOIVSGBTI-UHFFFAOYSA-N	-1	0	318.337	0.582	20	30		DCEDRM
N#Cc1ccc(COC(=O)c2cccn(CC(=O)[O-])c2=O)nc1	ZINC001574488232	961694351	/nfs/dbraw/zinc/69/43/51/961694351.db2.gz	OKWBEGTVGOQQIJ-UHFFFAOYSA-N	-1	0	313.269	0.557	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c(F)c1	ZINC001571145252	961726502	/nfs/dbraw/zinc/72/65/02/961726502.db2.gz	PKQWXMGPRWCIIP-LLVKDONJSA-N	-1	0	320.255	0.985	20	30		DCEDRM
Cn1c(=O)[n-]c(SCCC(=O)OC(C)(C)C)c(C#N)c1=O	ZINC001363730282	961776379	/nfs/dbraw/zinc/77/63/79/961776379.db2.gz	JVXZQEKPQVWBAA-UHFFFAOYSA-N	-1	0	311.363	0.769	20	30		DCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1c(F)cncc1F	ZINC001363730742	961776649	/nfs/dbraw/zinc/77/66/49/961776649.db2.gz	KUEROQLDBRLMMB-LURJTMIESA-N	-1	0	307.260	0.792	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCC[C@H](OCCO)C1)cc2=O	ZINC001363782207	961872717	/nfs/dbraw/zinc/87/27/17/961872717.db2.gz	FYPBJDVARQZNTC-ZDUSSCGKSA-N	-1	0	317.349	0.280	20	30		DCEDRM
CN(Cc1cc(C#N)cs1)C(=O)c1cn(CC(=O)[O-])nn1	ZINC001574015700	961942641	/nfs/dbraw/zinc/94/26/41/961942641.db2.gz	HZDDAPONMVIPGZ-UHFFFAOYSA-N	-1	0	305.319	0.568	20	30		DCEDRM
CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)c2cc(C#N)ccn2)n1	ZINC001363881815	962070305	/nfs/dbraw/zinc/07/03/05/962070305.db2.gz	BEOJXKYGYCLBKR-MRVPVSSYSA-N	-1	0	314.305	0.739	20	30		DCEDRM
CNC(=O)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c(OC)c1	ZINC001574038346	962070863	/nfs/dbraw/zinc/07/08/63/962070863.db2.gz	FDYYJDGRAQJYQD-OAHLLOKOSA-N	-1	0	319.317	0.998	20	30		DCEDRM
Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1nc(=O)o[n-]1	ZINC001363946445	962170513	/nfs/dbraw/zinc/17/05/13/962170513.db2.gz	QKKDRVGVPIGEQY-UHFFFAOYSA-N	-1	0	312.282	0.161	20	30		DCEDRM
COC(=O)[C@]1(OC)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001364052834	962376395	/nfs/dbraw/zinc/37/63/95/962376395.db2.gz	DBHXURKAOXRKTO-HNNXBMFYSA-N	-1	0	319.317	0.371	20	30		DCEDRM
C[C@@H]1CCC[C@@H]1CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364106836	962483119	/nfs/dbraw/zinc/48/31/19/962483119.db2.gz	HWXFOENQUSYKQV-GHMZBOCLSA-N	-1	0	304.350	0.763	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCCC[C@@H]2c2cc[nH]n2)c(C#N)c1=O	ZINC001364202237	962662049	/nfs/dbraw/zinc/66/20/49/962662049.db2.gz	RGHBOVFSHCKSEM-LLVKDONJSA-N	-1	0	300.322	0.400	20	30		DCEDRM
C#CCC1(C(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCCCC1	ZINC001573303221	962673176	/nfs/dbraw/zinc/67/31/76/962673176.db2.gz	MHPAGIGGXQRFEG-CHWSQXEVSA-N	-1	0	320.389	0.913	20	30		DCEDRM
C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)CNC(=O)[O-])C1	ZINC001573303857	962683363	/nfs/dbraw/zinc/68/33/63/962683363.db2.gz	UEGWFNVLGFXOCN-LBPRGKRZSA-N	-1	0	309.366	0.412	20	30		DCEDRM
C#CCN(CCC(=O)N(C)CC(=O)[O-])CC(=O)OC(C)(C)C	ZINC001573311031	962693526	/nfs/dbraw/zinc/69/35/26/962693526.db2.gz	GYEROYHCQNOUAA-UHFFFAOYSA-N	-1	0	312.366	0.196	20	30		DCEDRM
CC[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@H](O)c1ccccc1	ZINC001364224675	962705687	/nfs/dbraw/zinc/70/56/87/962705687.db2.gz	RNFGKBRJSHCWGI-QWHCGFSZSA-N	-1	0	314.345	0.869	20	30		DCEDRM
COCc1cc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)ccc1OC	ZINC001364235290	962724066	/nfs/dbraw/zinc/72/40/66/962724066.db2.gz	NCAMZGBCSYXARO-UHFFFAOYSA-N	-1	0	316.317	0.844	20	30		DCEDRM
C=C(Br)CN(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001573313605	962732575	/nfs/dbraw/zinc/73/25/75/962732575.db2.gz	MDAWVIRYLJVGBH-BDAKNGLRSA-N	-1	0	305.172	0.664	20	30		DCEDRM
C=C(C)CCC(=O)NCC[C@H]1CCN(C(=O)CNC(=O)[O-])C1	ZINC001573323720	962775483	/nfs/dbraw/zinc/77/54/83/962775483.db2.gz	FTPUBDUWJOTHED-LBPRGKRZSA-N	-1	0	311.382	0.965	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc2c(cc1C)OCO2)C(=O)[O-]	ZINC000279938575	962856485	/nfs/dbraw/zinc/85/64/85/962856485.db2.gz	GTQWXPWQKVXZDV-SECBINFHSA-N	-1	0	311.315	0.479	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[C@H]4C(=O)[O-])C[C@H]32)C1	ZINC001573344105	962912855	/nfs/dbraw/zinc/91/28/55/962912855.db2.gz	OFPQXZNXHVWDIN-OBPIAQAESA-N	-1	0	318.373	0.636	20	30		DCEDRM
C=C(Cl)Cn1c(C)nnc1N1C[C@@H](CC(=O)[O-])[C@H](O)C1	ZINC001573344094	962913067	/nfs/dbraw/zinc/91/30/67/962913067.db2.gz	NQPWRQNRAGVHAQ-NXEZZACHSA-N	-1	0	300.746	0.611	20	30		DCEDRM
C=CC(C)(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)CNC(=O)[O-])[C@@H]2C1	ZINC001573345547	962935530	/nfs/dbraw/zinc/93/55/30/962935530.db2.gz	VMVYAHOFWLDAIV-RTCCRHLQSA-N	-1	0	309.366	0.287	20	30		DCEDRM
C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)[O-]	ZINC001573346590	962940142	/nfs/dbraw/zinc/94/01/42/962940142.db2.gz	DGFWILVXXYAILQ-QWRGUYRKSA-N	-1	0	309.366	0.668	20	30		DCEDRM
C=CC(C)(C)CC(=O)N1CC[C@@H](CNC(=O)CNC(=O)[O-])C1	ZINC001573347722	962950698	/nfs/dbraw/zinc/95/06/98/962950698.db2.gz	MZUUWYIOUYAXLF-NSHDSACASA-N	-1	0	311.382	0.821	20	30		DCEDRM
C=CCCC(=O)N1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573352695	962992186	/nfs/dbraw/zinc/99/21/86/962992186.db2.gz	HZNCUIJTZZEYQH-NWDGAFQWSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=CCCC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)CNC(=O)[O-]	ZINC001573352882	962994886	/nfs/dbraw/zinc/99/48/86/962994886.db2.gz	LYRSPCGELYYTLV-RYUDHWBXSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(=O)[O-]	ZINC000316581003	964026090	/nfs/dbraw/zinc/02/60/90/964026090.db2.gz	JISNBNGHGLKLOC-NSHDSACASA-N	-1	0	321.310	0.548	20	30		DCEDRM
C#CCCCNC(=O)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC001588446580	964076600	/nfs/dbraw/zinc/07/66/00/964076600.db2.gz	QMFZXOSMHYDSQY-UHFFFAOYSA-N	-1	0	314.341	0.799	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588447423	964087181	/nfs/dbraw/zinc/08/71/81/964087181.db2.gz	JEDUXNXLODIZIE-UHFFFAOYSA-N	-1	0	312.347	0.440	20	30		DCEDRM
CC#CC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001609645804	970434422	/nfs/dbraw/zinc/43/44/22/970434422.db2.gz	OXZMKOYEZHIYCA-GXTWGEPZSA-N	-1	0	300.314	0.553	20	30		DCEDRM
CC(C)C[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)C(=O)[O-]	ZINC001609808400	970539386	/nfs/dbraw/zinc/53/93/86/970539386.db2.gz	UBYJXUIKOUGPIW-JTQLQIEISA-N	-1	0	321.337	0.351	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1	ZINC001603329359	972693885	/nfs/dbraw/zinc/69/38/85/972693885.db2.gz	KOZRCBHILOCGRQ-GJZGRUSLSA-N	-1	0	310.350	0.787	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C	ZINC001604462168	973309265	/nfs/dbraw/zinc/30/92/65/973309265.db2.gz	OGOPQHBIGHUFQN-QCZZGDTMSA-N	-1	0	314.338	0.462	20	30		DCEDRM
CC[C@H](C#N)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001603487830	973415087	/nfs/dbraw/zinc/41/50/87/973415087.db2.gz	DERFMKBBVGOGCI-MNOVXSKESA-N	-1	0	307.350	0.460	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2ccc(C#N)c(C)n2)CCO1	ZINC001604558001	973603324	/nfs/dbraw/zinc/60/33/24/973603324.db2.gz	SKGQCLSRNRZEEU-HNNXBMFYSA-N	-1	0	319.317	0.204	20	30		DCEDRM
N#C[C@@]1(NC(=O)c2cccn(CC(=O)[O-])c2=O)CCSC1	ZINC001605583558	973873229	/nfs/dbraw/zinc/87/32/29/973873229.db2.gz	VTXDTSIIYRSZAI-ZDUSSCGKSA-N	-1	0	307.331	0.062	20	30		DCEDRM
N#CCN1CCC(NC(=O)Nc2ccnc(C(=O)[O-])c2)CC1	ZINC001605586306	973881045	/nfs/dbraw/zinc/88/10/45/973881045.db2.gz	STDRHZMDGLNNEV-UHFFFAOYSA-N	-1	0	303.322	0.889	20	30		DCEDRM
N#Cc1c(NC(=O)C2(C(=O)[O-])CCC2)[nH]nc1N1CCOCC1	ZINC001605590552	973884370	/nfs/dbraw/zinc/88/43/70/973884370.db2.gz	IAUMVCXIXSQZTA-UHFFFAOYSA-N	-1	0	319.321	0.311	20	30		DCEDRM
CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001603779370	974233864	/nfs/dbraw/zinc/23/38/64/974233864.db2.gz	BYRFFUFLKRCIND-DRCTWCGVSA-N	-1	0	314.313	0.741	20	30		DCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)o1	ZINC001591719541	975641569	/nfs/dbraw/zinc/64/15/69/975641569.db2.gz	DNQQRGRAXSQPGZ-JTQLQIEISA-N	-1	0	316.335	0.650	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001592221328	977397141	/nfs/dbraw/zinc/39/71/41/977397141.db2.gz	BSTKAWMLPMCDGW-HBNTYKKESA-N	-1	0	303.384	0.508	20	30		DCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001592226443	977419472	/nfs/dbraw/zinc/41/94/72/977419472.db2.gz	XRDKQWVTFBICPQ-ZETCQYMHSA-N	-1	0	313.291	0.873	20	30		DCEDRM
C#CCCCS(=O)(=O)N1CCCC[C@@]1(COC)C(=O)[O-]	ZINC000710624203	977516202	/nfs/dbraw/zinc/51/62/02/977516202.db2.gz	ZPSXEKZMOYIWHB-CYBMUJFWSA-N	-1	0	303.380	0.685	20	30		DCEDRM
C#CC[C@H](COC)NS(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC000712831682	977606630	/nfs/dbraw/zinc/60/66/30/977606630.db2.gz	KXEMBDLBABUYII-MOENNCHZSA-N	-1	0	303.380	0.588	20	30		DCEDRM
C=C(C)CCC(=O)NCCN(CC)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001528884957	1014447468	/nfs/dbraw/zinc/44/74/68/1014447468.db2.gz	BGUACQRROBUYFF-UHFFFAOYSA-N	-1	0	323.353	0.217	20	30		DCEDRM
C[C@H](CNC(=O)CSCC#N)CNc1ccnc(C(=O)[O-])n1	ZINC001592654131	978635469	/nfs/dbraw/zinc/63/54/69/978635469.db2.gz	SHLBMCGZPMUSSU-VIFPVBQESA-N	-1	0	323.378	0.018	20	30		DCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NCC(=O)[O-]	ZINC001592833148	979568558	/nfs/dbraw/zinc/56/85/58/979568558.db2.gz	CANSPVWBSGJNCC-GHMZBOCLSA-N	-1	0	318.329	0.869	20	30		DCEDRM
C[C@H](Cc1ccc(NC(=O)NCC(=O)NCC#N)cc1)C(=O)[O-]	ZINC001592865597	979707150	/nfs/dbraw/zinc/70/71/50/979707150.db2.gz	DLLQMIFOFZUYPX-SNVBAGLBSA-N	-1	0	318.333	0.711	20	30		DCEDRM
CC[C@@](COC)(NC(=O)c1cnn(CCC#N)c1C)C(=O)[O-]	ZINC001595195249	979912161	/nfs/dbraw/zinc/91/21/61/979912161.db2.gz	XVHPGPKZKMIZTG-AWEZNQCLSA-N	-1	0	308.338	0.715	20	30		DCEDRM
Cc1ccc(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1C#N	ZINC001574154210	983179227	/nfs/dbraw/zinc/17/92/27/983179227.db2.gz	DXPAHNIZUXKFAJ-UHFFFAOYSA-N	-1	0	320.330	0.767	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC001588369112	983311030	/nfs/dbraw/zinc/31/10/30/983311030.db2.gz	BIEHRVLNLIDURR-SNVBAGLBSA-N	-1	0	306.293	0.919	20	30		DCEDRM
C#C[C@H](CO)NC(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC001588370915	983323393	/nfs/dbraw/zinc/32/33/93/983323393.db2.gz	QVHSVHOPUNVPID-MRVPVSSYSA-N	-1	0	306.274	0.287	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1)C(C)C	ZINC001588372076	983327825	/nfs/dbraw/zinc/32/78/25/983327825.db2.gz	CKGPJNBSOHZQKQ-WDEREUQCSA-N	-1	0	305.338	0.591	20	30		DCEDRM
C#C[C@@H](NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)C1CCOCC1	ZINC001588372725	983333618	/nfs/dbraw/zinc/33/36/18/983333618.db2.gz	RHRJBYQRPUGGTM-UHTWSYAYSA-N	-1	0	310.350	0.298	20	30		DCEDRM
C#C[C@@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)[C@H]1CCCO1	ZINC001588378537	983362762	/nfs/dbraw/zinc/36/27/62/983362762.db2.gz	ZRYVPCLMVLQKPE-GHMZBOCLSA-N	-1	0	323.374	0.479	20	30		DCEDRM
C#CC1(O)CN(C(=O)N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)C1	ZINC001588379422	983364300	/nfs/dbraw/zinc/36/43/00/983364300.db2.gz	HGPPMJBXTPIOPI-LOIXOFCESA-N	-1	0	324.402	0.505	20	30		DCEDRM
C#CC1(O)CCN(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CC1	ZINC001588379795	983365782	/nfs/dbraw/zinc/36/57/82/983365782.db2.gz	RXVRJJJDNXAUMA-XQHKEYJVSA-N	-1	0	306.362	0.655	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1	ZINC001588382194	983369356	/nfs/dbraw/zinc/36/93/56/983369356.db2.gz	JLHRZTGAPADLCP-CYBMUJFWSA-N	-1	0	320.389	0.962	20	30		DCEDRM
C#CC1CCN(C(=O)C(=O)NCc2ccc(C(=O)[O-])s2)CC1	ZINC001588382794	983374757	/nfs/dbraw/zinc/37/47/57/983374757.db2.gz	JBSMCBHEHFSSEK-UHFFFAOYSA-N	-1	0	320.370	0.934	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588383531	983382169	/nfs/dbraw/zinc/38/21/69/983382169.db2.gz	CNFVEFFWAHRJAE-NSHDSACASA-N	-1	0	301.364	0.295	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001588383870	983385173	/nfs/dbraw/zinc/38/51/73/983385173.db2.gz	NTMPHKOTRKSIAP-SNVBAGLBSA-N	-1	0	310.331	0.111	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588384038	983386369	/nfs/dbraw/zinc/38/63/69/983386369.db2.gz	SSYMXYDYJUQJAI-LBPRGKRZSA-N	-1	0	302.286	0.184	20	30		DCEDRM
C#CC[C@H](CCOC)NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC001588393571	983398639	/nfs/dbraw/zinc/39/86/39/983398639.db2.gz	HTYJKHGFXHHWHO-SNVBAGLBSA-N	-1	0	315.347	0.993	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](CCSC)NC(=O)CC)C(=O)[O-]	ZINC001588398043	983410441	/nfs/dbraw/zinc/41/04/41/983410441.db2.gz	BJZGWFFEDCDSEI-ZJUUUORDSA-N	-1	0	300.380	0.227	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F)C(=O)[O-]	ZINC001588398446	983412373	/nfs/dbraw/zinc/41/23/73/983412373.db2.gz	JCPNQLHCEDRJHR-BBBLOLIVSA-N	-1	0	323.267	0.563	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@H](n1ccnc1)C(F)(F)F)C(=O)[O-]	ZINC001588405177	983420249	/nfs/dbraw/zinc/42/02/49/983420249.db2.gz	DLACQSSLKQJVRJ-BDAKNGLRSA-N	-1	0	303.240	0.969	20	30		DCEDRM
C#CC[C@H](NC(=O)COCCNC(=O)c1ccccc1)C(=O)[O-]	ZINC001588405879	983422881	/nfs/dbraw/zinc/42/28/81/983422881.db2.gz	UODFCILQEPNGCX-ZDUSSCGKSA-N	-1	0	318.329	0.026	20	30		DCEDRM
C#CC[C@H](NC(=O)C1CCN(CC(F)(F)F)CC1)C(=O)[O-]	ZINC001588405992	983423840	/nfs/dbraw/zinc/42/38/40/983423840.db2.gz	LFWVXRHCHXOEIX-JTQLQIEISA-N	-1	0	306.284	0.853	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H](NC(=O)N1CCCC1)[C@H](C)CC)C(=O)[O-]	ZINC001588407521	983428579	/nfs/dbraw/zinc/42/85/79/983428579.db2.gz	JJEUAGJUFPSGGA-UPJWGTAASA-N	-1	0	323.393	0.799	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(Br)nn1C)C(=O)[O-]	ZINC001588414639	983434548	/nfs/dbraw/zinc/43/45/48/983434548.db2.gz	XKLZAUWKIXCMKT-LURJTMIESA-N	-1	0	300.112	0.389	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1[nH]c(CC)c(C(=O)OC)c1C)C(=O)[O-]	ZINC001588414587	983434551	/nfs/dbraw/zinc/43/45/51/983434551.db2.gz	WJROYAWJOVTADI-SNVBAGLBSA-N	-1	0	306.318	0.878	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cccc(C(=O)NC2CC2)c1)C(=O)[O-]	ZINC001588416492	983436700	/nfs/dbraw/zinc/43/67/00/983436700.db2.gz	NSMHQFYWAGLYIQ-CYBMUJFWSA-N	-1	0	300.314	0.785	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC001588435098	983474636	/nfs/dbraw/zinc/47/46/36/983474636.db2.gz	COGQPMLFHDLIAV-RSPDNQDQSA-N	-1	0	323.370	0.837	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001588464816	983494487	/nfs/dbraw/zinc/49/44/87/983494487.db2.gz	MYGCMFZBFPLQES-UHFFFAOYSA-N	-1	0	316.288	0.948	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588464943	983495285	/nfs/dbraw/zinc/49/52/85/983495285.db2.gz	WYKSJKNTSFPQIS-CHWSQXEVSA-N	-1	0	304.346	0.041	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)NCc2ccc(C(=O)[O-])o2)C1	ZINC001588477347	983515594	/nfs/dbraw/zinc/51/55/94/983515594.db2.gz	YXOZIHQRRNJNBV-NSHDSACASA-N	-1	0	305.334	0.875	20	30		DCEDRM
C#CCOc1cccc(Cl)c1CNCC(=O)NCC(=O)[O-]	ZINC001588498152	983543791	/nfs/dbraw/zinc/54/37/91/983543791.db2.gz	YKXNMDDBYITLIP-UHFFFAOYSA-N	-1	0	310.737	0.642	20	30		DCEDRM
C#CCOCCn1nnnc1N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001588499085	983545056	/nfs/dbraw/zinc/54/50/56/983545056.db2.gz	MRLKTOAJSKBANR-NSHDSACASA-N	-1	0	305.338	0.014	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001588510796	983557189	/nfs/dbraw/zinc/55/71/89/983557189.db2.gz	LZNJTGZHYXFOMN-ROTMJFINSA-N	-1	0	306.362	0.616	20	30		DCEDRM
C#Cc1ccc(C(=O)NCCNc2ncc(C(=O)[O-])cn2)cn1	ZINC001588511438	983559465	/nfs/dbraw/zinc/55/94/65/983559465.db2.gz	UXVRXEHKIAAWEV-UHFFFAOYSA-N	-1	0	311.301	0.393	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588535424	983589004	/nfs/dbraw/zinc/58/90/04/983589004.db2.gz	HMZSMDDMVQOWAU-NNYUYHANSA-N	-1	0	303.380	0.750	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1Cn1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588536892	983596100	/nfs/dbraw/zinc/59/61/00/983596100.db2.gz	VKCFJTRKCTYOMU-BNDIWNMDSA-N	-1	0	319.365	0.421	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1)C(=O)[O-]	ZINC001588540357	983603480	/nfs/dbraw/zinc/60/34/80/983603480.db2.gz	DKKKUCUIAIEMAJ-QJPTWQEYSA-N	-1	0	313.350	0.880	20	30		DCEDRM
CCN(CC(=O)[O-])CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC001596222080	983612990	/nfs/dbraw/zinc/61/29/90/983612990.db2.gz	DWPMLISZCBJBDX-ZDUSSCGKSA-N	-1	0	310.398	0.085	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001588548707	983625322	/nfs/dbraw/zinc/62/53/22/983625322.db2.gz	XFTGXIZMAZBXRO-GFCCVEGCSA-N	-1	0	320.349	0.464	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC001596231239	983626026	/nfs/dbraw/zinc/62/60/26/983626026.db2.gz	JEGDNSZYUPLZED-AXFHLTTASA-N	-1	0	312.322	0.170	20	30		DCEDRM
C=C(C)CCNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588559074	983639549	/nfs/dbraw/zinc/63/95/49/983639549.db2.gz	ICAILYMPJCFLNY-UHFFFAOYSA-N	-1	0	308.338	0.724	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001588569966	983650245	/nfs/dbraw/zinc/65/02/45/983650245.db2.gz	PLULDYBOZSLQOR-NEPJUHHUSA-N	-1	0	312.366	0.455	20	30		DCEDRM
C=C(C)Cn1c(CCO)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588597536	983679823	/nfs/dbraw/zinc/67/98/23/983679823.db2.gz	GWKYONJRMBEUAL-QWRGUYRKSA-N	-1	0	310.354	0.067	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H](COC(C)C)C(=O)OC	ZINC001588606987	983699408	/nfs/dbraw/zinc/69/94/08/983699408.db2.gz	NYQHJUUHQMSYPM-LLVKDONJSA-N	-1	0	301.339	0.832	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(=O)NC	ZINC001588621852	983720884	/nfs/dbraw/zinc/72/08/84/983720884.db2.gz	LDBZOKHUEPVISX-CYBMUJFWSA-N	-1	0	304.346	0.881	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCC[C@@]1(O)C(=O)Nc2ccccc21	ZINC001588624757	983734777	/nfs/dbraw/zinc/73/47/77/983734777.db2.gz	VVKWAEAHPFSGHF-INIZCTEOSA-N	-1	0	318.329	0.754	20	30		DCEDRM
CCN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cncc(C#N)n1	ZINC001596326055	983758708	/nfs/dbraw/zinc/75/87/08/983758708.db2.gz	BHYIJHZBPRIURZ-NWDGAFQWSA-N	-1	0	317.349	0.402	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@@H](C)Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588643281	983765418	/nfs/dbraw/zinc/76/54/18/983765418.db2.gz	BWLPTYJRCCZPQX-SNVBAGLBSA-N	-1	0	304.350	0.870	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001588692564	983883228	/nfs/dbraw/zinc/88/32/28/983883228.db2.gz	DYJWHMZSLILFOB-RWSFTLGLSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001588693291	983892976	/nfs/dbraw/zinc/89/29/76/983892976.db2.gz	VTDZUMGTKYLPET-LLVKDONJSA-N	-1	0	306.318	0.569	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CCO[C@@H](CC(=O)[O-])C2)n1CC1CC1	ZINC001588705021	983925530	/nfs/dbraw/zinc/92/55/30/983925530.db2.gz	JPQUCGVZKFKKAR-RYUDHWBXSA-N	-1	0	322.365	0.587	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CCO[C@@H](CC(=O)[O-])C2)n1CC1CC1	ZINC001588705018	983925612	/nfs/dbraw/zinc/92/56/12/983925612.db2.gz	JPQUCGVZKFKKAR-NWDGAFQWSA-N	-1	0	322.365	0.587	20	30		DCEDRM
C=C[C@H](OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)[O-]	ZINC001588711746	983939254	/nfs/dbraw/zinc/93/92/54/983939254.db2.gz	QXWLEMSQTCQDMH-UWVGGRQHSA-N	-1	0	315.322	0.805	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC001588744197	984041081	/nfs/dbraw/zinc/04/10/81/984041081.db2.gz	IKRKEWWGDSDUCK-SSDOTTSWSA-N	-1	0	321.301	0.878	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-]	ZINC001588752156	984080274	/nfs/dbraw/zinc/08/02/74/984080274.db2.gz	UTNPFXAXSKGBKO-ONGXEEELSA-N	-1	0	320.363	0.541	20	30		DCEDRM
C=CC[C@@H](OC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-]	ZINC001588753787	984088796	/nfs/dbraw/zinc/08/87/96/984088796.db2.gz	NJDBMNXQSHQSJI-NXEZZACHSA-N	-1	0	305.352	0.373	20	30		DCEDRM
C=CC[C@H](OC(=O)c1cccc(S(=O)(=O)NC)c1)C(=O)[O-]	ZINC001588755880	984096088	/nfs/dbraw/zinc/09/60/88/984096088.db2.gz	DVEXNNHUYZMYMA-NSHDSACASA-N	-1	0	313.331	0.781	20	30		DCEDRM
C=CCCC(=O)N(C)C[C@H](O)CN(C)c1ccnc(C(=O)[O-])n1	ZINC001588774124	984151401	/nfs/dbraw/zinc/15/14/01/984151401.db2.gz	UESRMMHGPLYUIP-LLVKDONJSA-N	-1	0	322.365	0.397	20	30		DCEDRM
C=CCC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC001588779250	984165130	/nfs/dbraw/zinc/16/51/30/984165130.db2.gz	VCADUQMOLPORJG-SECBINFHSA-N	-1	0	303.336	0.892	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-]	ZINC001588789793	984201097	/nfs/dbraw/zinc/20/10/97/984201097.db2.gz	JVSIXPYYWCVPLL-MNOVXSKESA-N	-1	0	318.395	0.336	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)[O-]	ZINC001588790236	984205261	/nfs/dbraw/zinc/20/52/61/984205261.db2.gz	UBXOLUSOHZAAEF-GHMZBOCLSA-N	-1	0	301.364	0.861	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(=O)[O-]	ZINC001588793828	984222661	/nfs/dbraw/zinc/22/26/61/984222661.db2.gz	CPWCRXPWYAINLY-OENPGXAMSA-N	-1	0	323.345	0.633	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001588810385	984266798	/nfs/dbraw/zinc/26/67/98/984266798.db2.gz	MFKDEQDXLYPJRM-GFCCVEGCSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC001588844272	984356588	/nfs/dbraw/zinc/35/65/88/984356588.db2.gz	GKRWQQFJOHJBRK-ZETCQYMHSA-N	-1	0	312.351	0.504	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1	ZINC001588849999	984377478	/nfs/dbraw/zinc/37/74/78/984377478.db2.gz	SEZBEMHBIHYTSS-RYUDHWBXSA-N	-1	0	310.350	0.113	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)Cc1c(C)nn(C)c1C)C(=O)[O-]	ZINC001588850774	984380113	/nfs/dbraw/zinc/38/01/13/984380113.db2.gz	DGOOSXWJCWMONA-QMTHXVAHSA-N	-1	0	323.393	0.988	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588850908	984381122	/nfs/dbraw/zinc/38/11/22/984381122.db2.gz	KAWKCXFFVSLQDT-ZDEQEGDKSA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)[O-]	ZINC001588855964	984395969	/nfs/dbraw/zinc/39/59/69/984395969.db2.gz	SSHSDNWGSBFJEU-FGNRJIRKSA-N	-1	0	311.334	0.000	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CC(c2ccccn2)=NO1)C(=O)[O-]	ZINC001588856015	984396259	/nfs/dbraw/zinc/39/62/59/984396259.db2.gz	UIDIAHVRPWAHJX-OLZOCXBDSA-N	-1	0	319.317	0.347	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(-c2ccccc2)n1)C(=O)[O-]	ZINC001588860101	984410671	/nfs/dbraw/zinc/41/06/71/984410671.db2.gz	IXQJQWQHAWHRLP-CYBMUJFWSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=CCn1c(-c2cocn2)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588890184	984484671	/nfs/dbraw/zinc/48/46/71/984484671.db2.gz	RREMJMBXBWETOV-CQSZACIVSA-N	-1	0	319.321	0.799	20	30		DCEDRM
C=CCn1c([C@H](OC)C2CC2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588896182	984499724	/nfs/dbraw/zinc/49/97/24/984499724.db2.gz	QKXKZOKNDSRUKT-NWDGAFQWSA-N	-1	0	322.365	0.851	20	30		DCEDRM
C=CCn1c([C@@H](CC)CO)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588896574	984502385	/nfs/dbraw/zinc/50/23/85/984502385.db2.gz	SHKXUIWQMISQCU-RYUDHWBXSA-N	-1	0	324.381	0.630	20	30		DCEDRM
C=CCn1c([C@H]2C[C@H]2C#N)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588896736	984504360	/nfs/dbraw/zinc/50/43/60/984504360.db2.gz	LAWHVLUDQRPMII-RHYQMDGZSA-N	-1	0	317.349	0.769	20	30		DCEDRM
C=CCn1c(N2CC[C@](OC)(C(=O)[O-])C2)nnc1[C@](C)(O)CC	ZINC001588904070	984526537	/nfs/dbraw/zinc/52/65/37/984526537.db2.gz	GDJHMFQWYAWHKD-HUUCEWRRSA-N	-1	0	324.381	0.762	20	30		DCEDRM
C=CCn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1[C@](C)(O)CC	ZINC001588904955	984534140	/nfs/dbraw/zinc/53/41/40/984534140.db2.gz	JWDRHYXZZCIXFG-IINYFYTJSA-N	-1	0	310.354	0.371	20	30		DCEDRM
C=CCn1cc(C(=O)NCCOc2ccc(C(=O)[O-])cc2)nn1	ZINC001588909850	984546044	/nfs/dbraw/zinc/54/60/44/984546044.db2.gz	BUABIQQVGDEFOK-UHFFFAOYSA-N	-1	0	316.317	0.971	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588917034	984564699	/nfs/dbraw/zinc/56/46/99/984564699.db2.gz	MAJKTPMCMSRKQY-WZRBSPASSA-N	-1	0	320.349	0.731	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC001588917252	984565816	/nfs/dbraw/zinc/56/58/16/984565816.db2.gz	SAHDACJYASIBDL-MNOVXSKESA-N	-1	0	303.380	0.894	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001588925584	984587491	/nfs/dbraw/zinc/58/74/91/984587491.db2.gz	SQTJZTQHTVRSPE-CYBMUJFWSA-N	-1	0	311.359	0.579	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC001588925894	984589980	/nfs/dbraw/zinc/58/99/80/984589980.db2.gz	ZNFAZYCWGXWTSY-LBPRGKRZSA-N	-1	0	311.359	0.579	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588926040	984590904	/nfs/dbraw/zinc/59/09/04/984590904.db2.gz	GWKWXNMIDJIQFE-GHMZBOCLSA-N	-1	0	320.349	0.490	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588926477	984594536	/nfs/dbraw/zinc/59/45/36/984594536.db2.gz	ZOVZYDMBVMCBLT-SNVBAGLBSA-N	-1	0	308.338	0.599	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCO1	ZINC001599930829	985312151	/nfs/dbraw/zinc/31/21/51/985312151.db2.gz	CYRIBQOHRJMPHM-VIFPVBQESA-N	-1	0	310.331	0.666	20	30		DCEDRM
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCn1cnc(C#N)n1	ZINC001599957061	985706108	/nfs/dbraw/zinc/70/61/08/985706108.db2.gz	BIBWZGUZVCXGRM-UHFFFAOYSA-N	-1	0	302.294	0.223	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001589329517	986164858	/nfs/dbraw/zinc/16/48/58/986164858.db2.gz	OXDZFSVWUCADFC-JQWIXIFHSA-N	-1	0	317.349	0.810	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1CCN(c2nc(C(=O)[O-])cs2)CC1	ZINC001526758256	1015331567	/nfs/dbraw/zinc/33/15/67/1015331567.db2.gz	LPRIQCMCOODQIL-SNVBAGLBSA-N	-1	0	323.374	0.528	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)C[C@H]1C(=O)[O-]	ZINC001599852055	989028214	/nfs/dbraw/zinc/02/82/14/989028214.db2.gz	DLAHIODDMLAALF-PSASIEDQSA-N	-1	0	302.290	0.071	20	30		DCEDRM
CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001597900292	989773580	/nfs/dbraw/zinc/77/35/80/989773580.db2.gz	YPXJWQHLXTUWIA-UHFFFAOYSA-N	-1	0	321.293	0.642	20	30		DCEDRM
CCn1nncc1CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001597976030	990040828	/nfs/dbraw/zinc/04/08/28/990040828.db2.gz	QLHXIGYOALTFBL-UHFFFAOYSA-N	-1	0	306.326	0.198	20	30		DCEDRM
CN(C(=O)CCNC(=O)C1N=CC=CC1=O)C(C)(C)CC(=O)[O-]	ZINC001598012550	990183937	/nfs/dbraw/zinc/18/39/37/990183937.db2.gz	IRRPACVIVWBBEC-YPKPFQOOSA-N	-1	0	323.349	0.615	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)NCc1nc(C(=O)[O-])co1	ZINC001590616504	990292088	/nfs/dbraw/zinc/29/20/88/990292088.db2.gz	CDROXSBPQGZNSY-UHFFFAOYSA-N	-1	0	301.324	0.732	20	30		DCEDRM
CCCN(C(=O)[C@H](C)C#N)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001391265413	990708766	/nfs/dbraw/zinc/70/87/66/990708766.db2.gz	QMCAVBKJGWVTML-MNOVXSKESA-N	-1	0	306.370	0.483	20	30		DCEDRM
CC(C)C#CC(=O)N1[C@@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-]	ZINC001590927130	990931051	/nfs/dbraw/zinc/93/10/51/990931051.db2.gz	SHRPQTQEAGONPQ-GHMZBOCLSA-N	-1	0	312.391	0.527	20	30		DCEDRM
CN(C)Cc1cnc(/C=C\C(=O)c2cn(CC(=O)[O-])nn2)s1	ZINC001598253955	991053889	/nfs/dbraw/zinc/05/38/89/991053889.db2.gz	QHAGBFDTQNDFJB-ARJAWSKDSA-N	-1	0	321.362	0.777	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1	ZINC001598287226	991186223	/nfs/dbraw/zinc/18/62/23/991186223.db2.gz	DCPJMAASBPHJCE-KBPBESRZSA-N	-1	0	317.345	0.674	20	30		DCEDRM
CN(C[C@@H](O)C1CC1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598432153	991798324	/nfs/dbraw/zinc/79/83/24/991798324.db2.gz	BZGGFNMYMXCHFK-GFCCVEGCSA-N	-1	0	324.358	0.648	20	30		DCEDRM
CC(C)C[C@@H](C(=O)[O-])N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC001591123035	991801036	/nfs/dbraw/zinc/80/10/36/991801036.db2.gz	KCGYOBCHZQEHLZ-GMXVVIOVSA-N	-1	0	300.380	0.356	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NC1(C(=O)[O-])CCSCC1	ZINC001598468439	991985967	/nfs/dbraw/zinc/98/59/67/991985967.db2.gz	BBTPSHOHSQVGOD-UHFFFAOYSA-N	-1	0	307.397	0.017	20	30		DCEDRM
CN1C[C@H](C(=O)[O-])N(C(=O)/C=C\c2ccccc2C#N)CC1=O	ZINC001598562392	993101762	/nfs/dbraw/zinc/10/17/62/993101762.db2.gz	KFSQCGRPDAPXAI-FMFIFOJESA-N	-1	0	313.313	0.325	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001393754641	993225901	/nfs/dbraw/zinc/22/59/01/993225901.db2.gz	FVQCLSFZRGBPOJ-NXEZZACHSA-N	-1	0	306.370	0.387	20	30		DCEDRM
COc1ccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)c(C(=O)[O-])c1	ZINC001599586453	993619761	/nfs/dbraw/zinc/61/97/61/993619761.db2.gz	SAJIIZBTRJFBEX-SECBINFHSA-N	-1	0	319.317	0.950	20	30		DCEDRM
CNC(=O)NCCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001598653696	994486059	/nfs/dbraw/zinc/48/60/59/994486059.db2.gz	QOJHUJJJINNLOM-GFCCVEGCSA-N	-1	0	305.290	0.546	20	30		DCEDRM
C[C@@](O)(CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C(=O)[O-]	ZINC001593399577	995155478	/nfs/dbraw/zinc/15/54/78/995155478.db2.gz	VBFJQBQVFPMTER-CZUORRHYSA-N	-1	0	317.345	0.479	20	30		DCEDRM
COC(=O)[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001598713066	995370734	/nfs/dbraw/zinc/37/07/34/995370734.db2.gz	SZOUZIYHYHSDND-DDTOSNHZSA-N	-1	0	318.329	0.946	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(O)(C(=O)[O-])CC1	ZINC001598714499	995388766	/nfs/dbraw/zinc/38/87/66/995388766.db2.gz	VXGJNSJNZHZBHM-CYBMUJFWSA-N	-1	0	318.329	0.684	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001593610631	995803450	/nfs/dbraw/zinc/80/34/50/995803450.db2.gz	GAXIMVSEQWUBRE-GDLCADMTSA-N	-1	0	318.329	0.762	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccnc(C#N)c1	ZINC001598770799	995882057	/nfs/dbraw/zinc/88/20/57/995882057.db2.gz	QIZXOGAYHYIQKO-ZYHUDNBSSA-N	-1	0	317.301	0.432	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001465317063	1015995661	/nfs/dbraw/zinc/99/56/61/1015995661.db2.gz	PRSHEJCRBCWZLN-UHFFFAOYSA-N	-1	0	323.312	0.399	20	30		DCEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001465363386	1015997115	/nfs/dbraw/zinc/99/71/15/1015997115.db2.gz	JQRPPXQNASKXJF-BONVTDFDSA-N	-1	0	315.333	0.409	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@H]1C(=O)[O-]	ZINC001598806003	996187861	/nfs/dbraw/zinc/18/78/61/996187861.db2.gz	GJLQVVJBPNMYJH-GHMZBOCLSA-N	-1	0	308.334	0.793	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)C[C@@H]1C(=O)[O-]	ZINC001598817002	996281326	/nfs/dbraw/zinc/28/13/26/996281326.db2.gz	LVRTYBDYHJPWAE-WDEREUQCSA-N	-1	0	318.285	0.210	20	30		DCEDRM
C[C@]1(CCC(=O)[O-])NC(=O)N(CN2CCC[C@](C)(C#N)C2)C1=O	ZINC001593742850	996363256	/nfs/dbraw/zinc/36/32/56/996363256.db2.gz	HDUOYJDMTYDEFU-HUUCEWRRSA-N	-1	0	322.365	0.745	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC001598827939	996404043	/nfs/dbraw/zinc/40/40/43/996404043.db2.gz	OREHUFUOTHEGDI-NXEZZACHSA-N	-1	0	319.273	0.776	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)C1	ZINC001593783239	996493439	/nfs/dbraw/zinc/49/34/39/996493439.db2.gz	HRJHBCTZUXEJAJ-OAHLLOKOSA-N	-1	0	319.292	0.959	20	30		DCEDRM
COC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H](C)O1	ZINC001598898553	997128403	/nfs/dbraw/zinc/12/84/03/997128403.db2.gz	SFFHETHBFBEHBJ-DDTOSNHZSA-N	-1	0	318.329	0.946	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cccc(C#CCO)c1	ZINC001599192020	997139742	/nfs/dbraw/zinc/13/97/42/997139742.db2.gz	FBGSXMWRASZASY-QGZVFWFLSA-N	-1	0	317.341	0.736	20	30		DCEDRM
CO[C@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@H](C(=O)[O-])C1	ZINC001599122053	997756695	/nfs/dbraw/zinc/75/66/95/997756695.db2.gz	ZDJMBMBOVWUMQE-RYUDHWBXSA-N	-1	0	304.302	0.968	20	30		DCEDRM
CO[C@@H]1CN(C(=O)c2ncc(C#N)cc2C)[C@](C)(C(=O)[O-])C1	ZINC001599129628	997918495	/nfs/dbraw/zinc/91/84/95/997918495.db2.gz	FKPZHDFHIKSIDE-NHYWBVRUSA-N	-1	0	303.318	0.966	20	30		DCEDRM
CO[C@@H]1CN(C(=O)[C@H](O)c2ccc(C#N)cc2)[C@](C)(C(=O)[O-])C1	ZINC001599130504	997932392	/nfs/dbraw/zinc/93/23/92/997932392.db2.gz	LFXBNNWCNRNHBA-ZENOOKHLSA-N	-1	0	318.329	0.682	20	30		DCEDRM
CO[C@H]1CN(C(=O)c2cnn(CCC#N)c2C)[C@@](C)(C(=O)[O-])C1	ZINC001599133135	997987371	/nfs/dbraw/zinc/98/73/71/997987371.db2.gz	KSSWNXZXLSWOHK-IAQYHMDHSA-N	-1	0	320.349	0.809	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001599349547	998069713	/nfs/dbraw/zinc/06/97/13/998069713.db2.gz	USHROWRMXICEGV-LBPRGKRZSA-N	-1	0	314.301	0.716	20	30		DCEDRM
COc1cc(OC[C@H](O)CN(C)CCC#N)ccc1C(=O)[O-]	ZINC001599456982	998204675	/nfs/dbraw/zinc/20/46/75/998204675.db2.gz	RIUKESWLLWSAAL-LLVKDONJSA-N	-1	0	308.334	0.979	20	30		DCEDRM
COCCOc1ncccc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599261698	998395997	/nfs/dbraw/zinc/39/59/97/998395997.db2.gz	KEPCLXSOYXSPHD-UHFFFAOYSA-N	-1	0	307.306	0.547	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)cn1	ZINC001594141326	998443709	/nfs/dbraw/zinc/44/37/09/998443709.db2.gz	JKKILDFFQAMIFD-WPRPVWTQSA-N	-1	0	302.290	0.213	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC(=O)N[C@H](C)C2)cc1C#N	ZINC001468189417	1016231161	/nfs/dbraw/zinc/23/11/61/1016231161.db2.gz	CVDIBAXSEUHNHC-SSDOTTSWSA-N	-1	0	306.347	0.341	20	30		DCEDRM
COC(=O)c1ccc(N2C[C@H](C)O[C@H](C(=O)[O-])C2)c(C#N)n1	ZINC001598977771	998621376	/nfs/dbraw/zinc/62/13/76/998621376.db2.gz	UIOVUTRFDBYPAI-UFBFGSQYSA-N	-1	0	305.290	0.418	20	30		DCEDRM
COC(=O)c1ccc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c(C#N)n1	ZINC001598977770	998621471	/nfs/dbraw/zinc/62/14/71/998621471.db2.gz	UIOVUTRFDBYPAI-PELKAZGASA-N	-1	0	305.290	0.418	20	30		DCEDRM
COC(=O)c1ccc([N+](=O)[O-])c(CN(CC#N)CC(=O)[O-])c1	ZINC001598988633	998716683	/nfs/dbraw/zinc/71/66/83/998716683.db2.gz	SHYMGWRIWXVGJS-UHFFFAOYSA-N	-1	0	307.262	0.792	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC001599069941	999325040	/nfs/dbraw/zinc/32/50/40/999325040.db2.gz	YOFKWFMDDORLHQ-MRXNPFEDSA-N	-1	0	317.297	0.469	20	30		DCEDRM
C[C@H]1CCCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)[C@H]1C	ZINC001594376216	999418749	/nfs/dbraw/zinc/41/87/49/999418749.db2.gz	FAGFTOLEGKSEHW-RYUDHWBXSA-N	-1	0	321.377	0.850	20	30		DCEDRM
C#CCN(C)c1nnc(-c2nn[nH]n2)n1Cc1cccs1	ZINC001518590525	1017192797	/nfs/dbraw/zinc/19/27/97/1017192797.db2.gz	KKYLZCOFEYWKRT-UHFFFAOYSA-N	-1	0	300.351	0.637	20	30		DCEDRM
C[Si](C)(C)C#CCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001469983158	1016375084	/nfs/dbraw/zinc/37/50/84/1016375084.db2.gz	FVAKPEYOWHBIKL-UHFFFAOYSA-N	-1	0	318.409	0.208	20	30		DCEDRM
COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001469947300	1016375639	/nfs/dbraw/zinc/37/56/39/1016375639.db2.gz	VEKPOJIBZBYHQV-GXSJLCMTSA-N	-1	0	305.290	0.028	20	30		DCEDRM
C[C@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC001418536284	1000324609	/nfs/dbraw/zinc/32/46/09/1000324609.db2.gz	LPFKBJAXKSPKTB-NSHDSACASA-N	-1	0	312.329	0.740	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2CCCC3(CC3)C2)c(=O)[n-]c1=O	ZINC001418536236	1000324820	/nfs/dbraw/zinc/32/48/20/1000324820.db2.gz	KMINWVVEPCFTHO-LLVKDONJSA-N	-1	0	316.361	0.907	20	30		DCEDRM
CC[C@@H](C)CONC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001470316850	1016416259	/nfs/dbraw/zinc/41/62/59/1016416259.db2.gz	XFJWFFGKQMPKAS-SECBINFHSA-N	-1	0	309.326	0.097	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)[C@H]2C[C@H]21	ZINC001472007218	1016704514	/nfs/dbraw/zinc/70/45/14/1016704514.db2.gz	VBFLQFFPTUAWPQ-KXNHARMFSA-N	-1	0	315.329	0.895	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001426927112	1004127330	/nfs/dbraw/zinc/12/73/30/1004127330.db2.gz	MDDOPCPBRAGLBB-INTQDDNPSA-N	-1	0	319.365	0.598	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1(N2CCOCC2)CC1	ZINC001417749902	1005882774	/nfs/dbraw/zinc/88/27/74/1005882774.db2.gz	LNAMTPZOJLZERE-UHFFFAOYSA-N	-1	0	316.361	0.562	20	30		DCEDRM
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCCc1nnn[n-]1	ZINC001452947451	1007166008	/nfs/dbraw/zinc/16/60/08/1007166008.db2.gz	LMYSAAJDDMTVRB-CYBMUJFWSA-N	-1	0	314.349	0.586	20	30		DCEDRM
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCCc1nnn[n-]1	ZINC001452947456	1007167108	/nfs/dbraw/zinc/16/71/08/1007167108.db2.gz	LMYSAAJDDMTVRB-ZDUSSCGKSA-N	-1	0	314.349	0.586	20	30		DCEDRM
C=C[C@H](C(=O)N1CCC(O)(c2nnn[n-]2)CC1)c1ccccc1	ZINC001520154083	1017252642	/nfs/dbraw/zinc/25/26/42/1017252642.db2.gz	WTDLOBFWCSOYNW-ZDUSSCGKSA-N	-1	0	313.361	0.980	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c(=O)[n-]c1=O	ZINC001453844040	1008756366	/nfs/dbraw/zinc/75/63/66/1008756366.db2.gz	QPDPIAFNJAHDDG-MVWJERBFSA-N	-1	0	302.334	0.373	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC2(C3CC3)CCC2)c(=O)[n-]c1=O	ZINC001433832267	1009230677	/nfs/dbraw/zinc/23/06/77/1009230677.db2.gz	LRASQVKVVODWAM-UHFFFAOYSA-N	-1	0	316.361	0.907	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](C)C[C@H]1C(N)=O	ZINC001433927517	1009360957	/nfs/dbraw/zinc/36/09/57/1009360957.db2.gz	RINXBAPVIDQVGA-KWQFWETISA-N	-1	0	302.334	0.693	20	30		DCEDRM
C[C@@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)CC(F)F	ZINC001434120720	1009586537	/nfs/dbraw/zinc/58/65/37/1009586537.db2.gz	WFNLWVWSMMYBIC-MRVPVSSYSA-N	-1	0	314.292	0.618	20	30		DCEDRM
CC[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H](C)CO1	ZINC001434153428	1009616723	/nfs/dbraw/zinc/61/67/23/1009616723.db2.gz	XUVTZHKTBLVKLW-CMPLNLGQSA-N	-1	0	320.349	0.237	20	30		DCEDRM
CC(C)(C)[S@@](C)(=O)=NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001434374212	1009855022	/nfs/dbraw/zinc/85/50/22/1009855022.db2.gz	KSGDZDQNTAQSOA-OAQYLSRUSA-N	-1	0	312.351	0.243	20	30		DCEDRM
C[C@H](NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O)c1cccs1	ZINC001434452728	1009970733	/nfs/dbraw/zinc/97/07/33/1009970733.db2.gz	DMAHFLBCMVSSEW-QMMMGPOBSA-N	-1	0	304.331	0.347	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@@H](NC(=O)[C@@H](C)C#N)C(C)C)c1[O-]	ZINC001443590229	1010519657	/nfs/dbraw/zinc/51/96/57/1010519657.db2.gz	AJUPRMDDEAMIOQ-GXSJLCMTSA-N	-1	0	321.381	0.844	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3ccc(F)cn3)C2)c(=O)[n-]c1=O	ZINC001457197056	1011608887	/nfs/dbraw/zinc/60/88/87/1011608887.db2.gz	DQXKFYWGSSASND-UHFFFAOYSA-N	-1	0	315.264	0.052	20	30		DCEDRM
C#CCN(C)c1nnc(-c2cc(=O)n(C)[n-]2)n1C[C@@H]1CCOC1	ZINC001519656730	1017223917	/nfs/dbraw/zinc/22/39/17/1017223917.db2.gz	DGCMTKYGIYABMU-NSHDSACASA-N	-1	0	316.365	0.490	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@H](OCC)C1	ZINC001520448826	1017276328	/nfs/dbraw/zinc/27/63/28/1017276328.db2.gz	XIDNZAHBYZJTHW-NSHDSACASA-N	-1	0	318.381	0.693	20	30		DCEDRM
N#C[C@@]12CN(Cc3ccoc3C(=O)[O-])C[C@H]1CS(=O)(=O)C2	ZINC001608190117	1170612289	/nfs/dbraw/zinc/61/22/89/1170612289.db2.gz	INQHGTFSNWOVGI-GWCFXTLKSA-N	-1	0	310.331	0.348	20	30		DCEDRM
CC[C@](C)(NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001609896509	1171118306	/nfs/dbraw/zinc/11/83/06/1171118306.db2.gz	PGVUDYGXAROCCF-GETOMWPZSA-N	-1	0	309.322	0.272	20	30		DCEDRM
CCc1nc(NC(=O)Cn2cnc(C#N)n2)sc1C(=O)[O-]	ZINC001610072131	1171149555	/nfs/dbraw/zinc/14/95/55/1171149555.db2.gz	BEELHWLVQWKCGQ-UHFFFAOYSA-N	-1	0	306.307	0.506	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001622146201	1171418168	/nfs/dbraw/zinc/41/81/68/1171418168.db2.gz	QGZPXDVHNMLZCT-SKDRFNHKSA-N	-1	0	314.319	0.922	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)Nc2nc(N(C)C)n[nH]2)cc1C#N	ZINC000340978209	295689331	/nfs/dbraw/zinc/68/93/31/295689331.db2.gz	NOAXLDADADKESR-UHFFFAOYSA-N	-1	0	319.350	0.817	20	30		DCEDRM
O=C([O-])CCCNC(=O)C(=O)NCC#Cc1cccc(F)c1	ZINC000420589983	240046874	/nfs/dbraw/zinc/04/68/74/240046874.db2.gz	VQVSKWZQKCQRFX-UHFFFAOYSA-N	-1	0	306.293	0.274	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000424387016	240259084	/nfs/dbraw/zinc/25/90/84/240259084.db2.gz	FRXXCYVJMHMLRU-NSHDSACASA-N	-1	0	305.400	0.803	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C)C(=O)[O-]	ZINC000275058740	212098530	/nfs/dbraw/zinc/09/85/30/212098530.db2.gz	UHOGWZRNPZCWBS-LBPRGKRZSA-N	-1	0	324.358	0.967	20	30		DCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)Cc1cccc(C#N)c1	ZINC000572787252	291588977	/nfs/dbraw/zinc/58/89/77/291588977.db2.gz	YGJJAAOLHWGRQC-LBPRGKRZSA-N	-1	0	312.347	0.419	20	30		DCEDRM
C=CCn1c(=O)c2ccc(C(=O)NCCCO)cc2[n-]c1=S	ZINC000105030655	194065449	/nfs/dbraw/zinc/06/54/49/194065449.db2.gz	RBCIQWULUKBHJQ-UHFFFAOYSA-N	-1	0	319.386	0.983	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1Cl	ZINC000126088818	395909161	/nfs/dbraw/zinc/90/91/61/395909161.db2.gz	YPMULNNWFRMMSW-UHFFFAOYSA-N	-1	0	318.738	0.591	20	30		DCEDRM
N#Cc1nc(NC(=O)CCS(=O)(=O)C2CCCC2)[n-]c1C#N	ZINC000052557201	395865698	/nfs/dbraw/zinc/86/56/98/395865698.db2.gz	HZIGVHSIWQSFID-UHFFFAOYSA-N	-1	0	321.362	0.839	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)s1	ZINC000230324242	395880496	/nfs/dbraw/zinc/88/04/96/395880496.db2.gz	MEVBRXOMFUVQEG-UHFFFAOYSA-N	-1	0	304.349	0.341	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)NC[C@@H]1COC2(CCCC2)O1	ZINC000277192019	396054508	/nfs/dbraw/zinc/05/45/08/396054508.db2.gz	OQGFVCQCSBMJOR-LLVKDONJSA-N	-1	0	323.374	0.917	20	30		DCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000263483889	396218187	/nfs/dbraw/zinc/21/81/87/396218187.db2.gz	GXXPFIPGMCHQDO-VHSXEESVSA-N	-1	0	309.347	0.827	20	30		DCEDRM
COCCCn1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)n1	ZINC000290581245	396467052	/nfs/dbraw/zinc/46/70/52/396467052.db2.gz	VVHJDMZHGOGELW-UHFFFAOYSA-N	-1	0	321.362	0.987	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000290942658	396476091	/nfs/dbraw/zinc/47/60/91/396476091.db2.gz	LQRKQRXDLCZUTN-QMMMGPOBSA-N	-1	0	316.277	0.922	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594544850	396485739	/nfs/dbraw/zinc/48/57/39/396485739.db2.gz	MWJHHDDJMYEBOP-JTQLQIEISA-N	-1	0	303.318	0.354	20	30		DCEDRM
N#Cc1ccc(O[C@@H]2CCN(c3nc4n[nH]cc4c(=O)[nH]3)C2)nc1	ZINC000291943025	396521003	/nfs/dbraw/zinc/52/10/03/396521003.db2.gz	TUYYIPMNVBJYGG-SNVBAGLBSA-N	-1	0	323.316	0.983	20	30		DCEDRM
N#CC1(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCOCC1	ZINC000595277523	396577317	/nfs/dbraw/zinc/57/73/17/396577317.db2.gz	MZSACKDOIOPUDZ-IAQYHMDHSA-N	-1	0	308.334	0.256	20	30		DCEDRM
COC(=O)c1oc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cc1C	ZINC000596025764	396709348	/nfs/dbraw/zinc/70/93/48/396709348.db2.gz	YWZCBTHSRVVGAG-UHFFFAOYSA-N	-1	0	324.318	0.781	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)NCc1cnc2n1CCCC2	ZINC000375107290	396711594	/nfs/dbraw/zinc/71/15/94/396711594.db2.gz	YIDVVKISDRKOOF-UHFFFAOYSA-N	-1	0	317.374	0.965	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000629777029	396829559	/nfs/dbraw/zinc/82/95/59/396829559.db2.gz	ZVYACKRPUVJOGT-RYUDHWBXSA-N	-1	0	312.366	0.217	20	30		DCEDRM
CNS(=O)(=O)c1cc(NC(=O)N2CC(C#N)C2)ccc1F	ZINC000590835247	396847389	/nfs/dbraw/zinc/84/73/89/396847389.db2.gz	LLMLVGRIQBHWLR-UHFFFAOYSA-N	-1	0	312.326	0.721	20	30		DCEDRM
CO[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)[C@](C)(C(=O)[O-])C1	ZINC000600661758	396908324	/nfs/dbraw/zinc/90/83/24/396908324.db2.gz	ZYVNSCHWXLVLAI-FZMZJTMJSA-N	-1	0	324.358	0.811	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)NCc2cccc(C(=O)[O-])c2)C1	ZINC000591457571	396923957	/nfs/dbraw/zinc/92/39/57/396923957.db2.gz	YZUVJGMIOMKOAZ-HNNXBMFYSA-N	-1	0	319.292	0.465	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(C)o1)C(=O)[O-]	ZINC000630326741	396984784	/nfs/dbraw/zinc/98/47/84/396984784.db2.gz	SKBBKTGNXKGLMC-MRVPVSSYSA-N	-1	0	316.335	0.385	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)c1	ZINC000619470388	397135396	/nfs/dbraw/zinc/13/53/96/397135396.db2.gz	MHWAOIDAUOPBCF-YPMHNXCESA-N	-1	0	324.358	0.521	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000626361231	397145334	/nfs/dbraw/zinc/14/53/34/397145334.db2.gz	AZLPUODVDYHAFP-SNVBAGLBSA-N	-1	0	313.379	0.368	20	30		DCEDRM
CCN(C(C)=O)c1nc(Cn2c(=O)[n-]cc(C#N)c2=O)cs1	ZINC000592355023	397158868	/nfs/dbraw/zinc/15/88/68/397158868.db2.gz	XCPOGOXGDKPXCZ-UHFFFAOYSA-N	-1	0	319.346	0.286	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC000598745187	397288874	/nfs/dbraw/zinc/28/88/74/397288874.db2.gz	LEPJHDGLHPXXPF-LBPRGKRZSA-N	-1	0	311.301	0.988	20	30		DCEDRM
CC(C)(C)[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602136944	397316664	/nfs/dbraw/zinc/31/66/64/397316664.db2.gz	VIASEQAGGZVZQT-LLVKDONJSA-N	-1	0	304.350	0.715	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCCc3ccccc3C2)c(=O)[n-]c1=O	ZINC000602097031	397299840	/nfs/dbraw/zinc/29/98/40/397299840.db2.gz	MJTCSIJKOHJSDN-UHFFFAOYSA-N	-1	0	324.340	0.796	20	30		DCEDRM
CC[C@@]1(C)CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602107397	397303344	/nfs/dbraw/zinc/30/33/44/397303344.db2.gz	QDFSSLCONVFOSH-HNNXBMFYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CC[C@@H]3CCC[C@H]32)c(=O)[n-]c1=O	ZINC000602139909	397317436	/nfs/dbraw/zinc/31/74/36/397317436.db2.gz	NWNCADGROQMIOP-CMPLNLGQSA-N	-1	0	302.334	0.612	20	30		DCEDRM
C[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC12CCC2	ZINC000602127824	397311424	/nfs/dbraw/zinc/31/14/24/397311424.db2.gz	AAOSAICGRIUDGW-NSHDSACASA-N	-1	0	316.361	0.859	20	30		DCEDRM
N#Cc1ccnc(N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1	ZINC000593327492	397352571	/nfs/dbraw/zinc/35/25/71/397352571.db2.gz	OQINKSDEJRFTKT-LBPRGKRZSA-N	-1	0	314.345	0.855	20	30		DCEDRM
C=C(C)COCC[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599256516	397379022	/nfs/dbraw/zinc/37/90/22/397379022.db2.gz	CQIKGCVIQBAJCB-UHFFFAOYSA-N	-1	0	304.324	0.332	20	30		DCEDRM
C[C@@H]1CCSCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602150130	397323770	/nfs/dbraw/zinc/32/37/70/397323770.db2.gz	XAVKSHQQFRWDDG-SECBINFHSA-N	-1	0	308.363	0.175	20	30		DCEDRM
C[C@@](CNC(=O)N1CCO[C@@H](C#N)C1)(C(=O)[O-])c1ccccc1	ZINC000593699647	397428776	/nfs/dbraw/zinc/42/87/76/397428776.db2.gz	DIQMLKJNJRYMTQ-BBRMVZONSA-N	-1	0	317.345	0.963	20	30		DCEDRM
C[C@@](CNC(=O)N1CCO[C@H](C#N)C1)(C(=O)[O-])c1ccccc1	ZINC000593699657	397429201	/nfs/dbraw/zinc/42/92/01/397429201.db2.gz	DIQMLKJNJRYMTQ-CJNGLKHVSA-N	-1	0	317.345	0.963	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2cncc(C#N)n2)C1=O	ZINC000579009353	397515114	/nfs/dbraw/zinc/51/51/14/397515114.db2.gz	VCKNVLXIAUGSGO-PWSUYJOCSA-N	-1	0	303.322	0.470	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@](C)(CC)C(=O)[O-]	ZINC000579361466	397558149	/nfs/dbraw/zinc/55/81/49/397558149.db2.gz	ZTFZTXUEMGHWBX-CMPLNLGQSA-N	-1	0	305.400	0.803	20	30		DCEDRM
C#CC[C@]1(C(=O)[N-]OCCO)CCCN1C(=O)OC(C)(C)C	ZINC000495916306	397563096	/nfs/dbraw/zinc/56/30/96/397563096.db2.gz	VFTXNVLBYWXHMQ-OAHLLOKOSA-N	-1	0	312.366	0.820	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000579837678	397594996	/nfs/dbraw/zinc/59/49/96/397594996.db2.gz	MCIKUBJEFLGXBC-SNVBAGLBSA-N	-1	0	306.318	0.624	20	30		DCEDRM
CCN(CC(=O)N(C)C)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000603941990	397629365	/nfs/dbraw/zinc/62/93/65/397629365.db2.gz	SFUKQMYOCTVRTD-UHFFFAOYSA-N	-1	0	322.390	0.931	20	30		DCEDRM
CCNC(=O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124051141	158236456	/nfs/dbraw/zinc/23/64/56/158236456.db2.gz	ISHGGMYAXSZJPO-UHFFFAOYSA-N	-1	0	303.290	0.251	20	30		DCEDRM
N#Cc1ccc(OCC(=O)NCC2(C(=O)[O-])CCOCC2)cc1	ZINC000261914543	158753403	/nfs/dbraw/zinc/75/34/03/158753403.db2.gz	QRQLTXNCRUATOM-UHFFFAOYSA-N	-1	0	318.329	0.935	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCC1=O	ZINC000408488805	160119269	/nfs/dbraw/zinc/11/92/69/160119269.db2.gz	OKERXDSNYSGLJV-GXSJLCMTSA-N	-1	0	321.358	0.763	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)CC(=O)[O-]	ZINC000232107829	287064538	/nfs/dbraw/zinc/06/45/38/287064538.db2.gz	WPDXCQCXQMIILP-VIFPVBQESA-N	-1	0	316.310	0.465	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)c1	ZINC000274938162	415365144	/nfs/dbraw/zinc/36/51/44/415365144.db2.gz	FSJUOQBEMSTLMI-UHFFFAOYSA-N	-1	0	324.358	0.718	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000274933671	415365499	/nfs/dbraw/zinc/36/54/99/415365499.db2.gz	CXADVAAENUBOQV-LLVKDONJSA-N	-1	0	312.303	0.740	20	30		DCEDRM
CC(C)N1C(=O)C[C@@H](NS(=O)(=O)CC2(CC#N)CC2)C1=O	ZINC000333472425	415662209	/nfs/dbraw/zinc/66/22/09/415662209.db2.gz	WKNDQVJDAKEBBY-SNVBAGLBSA-N	-1	0	313.379	0.136	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O	ZINC000291214676	415830994	/nfs/dbraw/zinc/83/09/94/415830994.db2.gz	IXAPDVYWDSWVOZ-INIZCTEOSA-N	-1	0	313.313	0.061	20	30		DCEDRM
C=CCC[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-]	ZINC000262890040	416337223	/nfs/dbraw/zinc/33/72/23/416337223.db2.gz	LKIZNFFKJSWOBW-NXEZZACHSA-N	-1	0	320.411	0.486	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2nccc(C#N)n2)C1=O	ZINC000416442646	416369795	/nfs/dbraw/zinc/36/97/95/416369795.db2.gz	FURJRILVVQAJKJ-WDEREUQCSA-N	-1	0	303.322	0.470	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCCOC1CCCC1)C(=O)[O-]	ZINC000583909732	416483749	/nfs/dbraw/zinc/48/37/49/416483749.db2.gz	NMJCFHMZJWSVNU-GFCCVEGCSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000491633081	416607593	/nfs/dbraw/zinc/60/75/93/416607593.db2.gz	SFFXXLBUNAFWBR-QWHCGFSZSA-N	-1	0	304.346	0.041	20	30		DCEDRM
CC(C)n1ncc2cc(Cn3c(=O)[n-]cc(C#N)c3=O)cnc21	ZINC000516866803	416746777	/nfs/dbraw/zinc/74/67/77/416746777.db2.gz	QFCSKRFFTSHEEO-UHFFFAOYSA-N	-1	0	310.317	0.782	20	30		DCEDRM
C[C@@H](c1ccccc1)N(C)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000515844165	416710180	/nfs/dbraw/zinc/71/01/80/416710180.db2.gz	RHFSPNYYNWQIQK-NSHDSACASA-N	-1	0	312.329	0.628	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N[C@@H](CC2CCC2)C(=O)[O-])c1	ZINC000558592960	416779211	/nfs/dbraw/zinc/77/92/11/416779211.db2.gz	SKUPEXZEOHHZFN-LBPRGKRZSA-N	-1	0	309.347	0.875	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c(F)c1	ZINC000370330254	416893327	/nfs/dbraw/zinc/89/33/27/416893327.db2.gz	QTOJZPKAFVCWRD-SNVBAGLBSA-N	-1	0	320.259	0.563	20	30		DCEDRM
C[C@@H]([C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-])C1CC1	ZINC000568889878	417190730	/nfs/dbraw/zinc/19/07/30/417190730.db2.gz	YCQVMUVYBONRNI-NGZCFLSTSA-N	-1	0	303.384	0.554	20	30		DCEDRM
CC(C)CCC[C@H](C)NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000569361890	417245291	/nfs/dbraw/zinc/24/52/91/417245291.db2.gz	YEDZNBWBFIJBIW-NSHDSACASA-N	-1	0	306.366	0.739	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCc1cccc2c1OCO2)C(=O)[O-]	ZINC000572098268	417456698	/nfs/dbraw/zinc/45/66/98/417456698.db2.gz	LWFHMPCQTYWOHG-NSHDSACASA-N	-1	0	322.317	0.870	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(CC(=O)[O-])CC1	ZINC000574280784	417481834	/nfs/dbraw/zinc/48/18/34/417481834.db2.gz	AECJIMWKTQKGFX-SNVBAGLBSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C=CCNC(=O)c1ccc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)nc1	ZINC000662896820	417941606	/nfs/dbraw/zinc/94/16/06/417941606.db2.gz	PTXUJOXZWWIYOI-QJPTWQEYSA-N	-1	0	305.334	0.633	20	30		DCEDRM
C=CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1	ZINC000663430949	418020108	/nfs/dbraw/zinc/02/01/08/418020108.db2.gz	YNDVQPVBCMZVIN-UHFFFAOYSA-N	-1	0	315.347	0.874	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000663630937	418040722	/nfs/dbraw/zinc/04/07/22/418040722.db2.gz	YDISGGJPIGMDJO-AVGNSLFASA-N	-1	0	324.377	0.311	20	30		DCEDRM
C=CCCCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000659057375	418050845	/nfs/dbraw/zinc/05/08/45/418050845.db2.gz	CWTFLGLIZOEOQF-UHFFFAOYSA-N	-1	0	308.338	0.724	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000650424830	418309951	/nfs/dbraw/zinc/30/99/51/418309951.db2.gz	NOZXGZUESRLKKB-JTQLQIEISA-N	-1	0	314.367	0.519	20	30		DCEDRM
CSc1nc(=O)n(CC(=O)NCc2ccc(C#N)cc2)[n-]1	ZINC000355925910	261376013	/nfs/dbraw/zinc/37/60/13/261376013.db2.gz	DPULVZQDXMVSHU-UHFFFAOYSA-N	-1	0	303.347	0.481	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cn1C	ZINC000438237684	267402549	/nfs/dbraw/zinc/40/25/49/267402549.db2.gz	KSTLSECUMXFYPP-UHFFFAOYSA-N	-1	0	323.334	0.218	20	30		DCEDRM
CC(C)(C)OC(=O)NCCCC(=O)N[C@@H]1CCCN(O)C1=O	ZINC000495625070	272260283	/nfs/dbraw/zinc/26/02/83/272260283.db2.gz	JKOYQKBVOYKPMQ-SNVBAGLBSA-N	-1	0	315.370	0.788	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)c1	ZINC000548205825	288121162	/nfs/dbraw/zinc/12/11/62/288121162.db2.gz	OFEIQFKYSPPSOL-CMPLNLGQSA-N	-1	0	310.331	0.326	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1C#N	ZINC000548529817	288150855	/nfs/dbraw/zinc/15/08/55/288150855.db2.gz	NLQWRQFPBYXLOR-ZWNOBZJWSA-N	-1	0	324.358	0.635	20	30		DCEDRM
COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000548577086	288156457	/nfs/dbraw/zinc/15/64/57/288156457.db2.gz	UNBCYYRRUVMHRX-SECBINFHSA-N	-1	0	313.335	0.063	20	30		DCEDRM
C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000563127886	288634986	/nfs/dbraw/zinc/63/49/86/288634986.db2.gz	XCKWFLMIMGAYLN-CMPLNLGQSA-N	-1	0	304.350	0.445	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000263082184	297954849	/nfs/dbraw/zinc/95/48/49/297954849.db2.gz	BLGQVDNJXJEXPS-GMTAPVOTSA-N	-1	0	303.384	0.365	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])ccc1C#N	ZINC000365522045	301388150	/nfs/dbraw/zinc/38/81/50/301388150.db2.gz	KMXQLWLRFGSPKP-LBPRGKRZSA-N	-1	0	324.358	0.731	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000273661760	303163277	/nfs/dbraw/zinc/16/32/77/303163277.db2.gz	FCFNVDGUEKURHH-SECBINFHSA-N	-1	0	314.294	0.437	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000491015244	332948535	/nfs/dbraw/zinc/94/85/35/332948535.db2.gz	XEQFKSJOEMFKPS-UHFFFAOYSA-N	-1	0	307.327	0.651	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000563610359	333636918	/nfs/dbraw/zinc/63/69/18/333636918.db2.gz	VUAUBULTMTZEMT-WDEREUQCSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CN1CC[C@@H](NC(=O)c2ccccc2[N-]S(C)(=O)=O)C1=O	ZINC000330830930	334814540	/nfs/dbraw/zinc/81/45/40/334814540.db2.gz	GXRLJBBXZOYVTH-LLVKDONJSA-N	-1	0	311.363	0.593	20	30		DCEDRM
N#C[C@@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CCO1	ZINC000332525507	336173762	/nfs/dbraw/zinc/17/37/62/336173762.db2.gz	OMDKEZCOJUMDOB-SNVBAGLBSA-N	-1	0	306.347	0.233	20	30		DCEDRM
CC(C)(C)OC(=O)NCCCC(=O)[N-]S(=O)(=O)CCC#N	ZINC000496384138	340004319	/nfs/dbraw/zinc/00/43/19/340004319.db2.gz	YVJTZZKRXIBPOX-UHFFFAOYSA-N	-1	0	319.383	0.651	20	30		DCEDRM
CCC(CC)(CNS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000424364971	337827188	/nfs/dbraw/zinc/82/71/88/337827188.db2.gz	FRARHAWVTSTRTQ-JTQLQIEISA-N	-1	0	305.400	0.946	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000424367309	337827390	/nfs/dbraw/zinc/82/73/90/337827390.db2.gz	LIALOPNXUNMHHK-MXWKQRLJSA-N	-1	0	303.384	0.650	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1	ZINC000424512683	337845182	/nfs/dbraw/zinc/84/51/82/337845182.db2.gz	VRIFPMLJHHBXPE-FRRDWIJNSA-N	-1	0	321.377	0.898	20	30		DCEDRM
C=CCNC(=O)CS(=O)(=O)c1nnc(-c2ccc(C)cc2)[n-]1	ZINC000429898081	338091631	/nfs/dbraw/zinc/09/16/31/338091631.db2.gz	WEQQJNMETLMKNG-UHFFFAOYSA-N	-1	0	320.374	0.856	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(=O)OC	ZINC000436531947	338275517	/nfs/dbraw/zinc/27/55/17/338275517.db2.gz	QSRHGODZTSWDAY-JTQLQIEISA-N	-1	0	324.289	0.774	20	30		DCEDRM
C#CCN(C)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000491442003	339862369	/nfs/dbraw/zinc/86/23/69/339862369.db2.gz	YXMOLVLLLNVUSP-UHFFFAOYSA-N	-1	0	302.302	0.335	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)/C=C\C1CCOCC1	ZINC000492386323	339899248	/nfs/dbraw/zinc/89/92/48/339899248.db2.gz	MDRQQCDVCVLWHU-ARJAWSKDSA-N	-1	0	300.380	0.965	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C	ZINC000496604081	340008729	/nfs/dbraw/zinc/00/87/29/340008729.db2.gz	GNJWYTULBHDTIY-GARJFASQSA-N	-1	0	300.355	0.979	20	30		DCEDRM
C=CCN(C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000516972758	340460379	/nfs/dbraw/zinc/46/03/79/340460379.db2.gz	IXPQAERBZAQZJE-AXFHLTTASA-N	-1	0	315.391	0.545	20	30		DCEDRM
C=CCn1cc(CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)nn1	ZINC000564321352	341214785	/nfs/dbraw/zinc/21/47/85/341214785.db2.gz	IKLKOCGUXRBRMS-NSHDSACASA-N	-1	0	307.354	0.860	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000548565514	341266056	/nfs/dbraw/zinc/26/60/56/341266056.db2.gz	YIZNYLGPOJVEFC-UHFFFAOYSA-N	-1	0	303.384	0.653	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1[C@H](C(=O)[O-])CCC1(C)C	ZINC000568001302	341645005	/nfs/dbraw/zinc/64/50/05/341645005.db2.gz	VLPJIVUFKWSLFN-UWVGGRQHSA-N	-1	0	303.384	0.650	20	30		DCEDRM
COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C#N)s1	ZINC000576421363	341845553	/nfs/dbraw/zinc/84/55/53/341845553.db2.gz	WNYBRWLXVWMAAD-MRVPVSSYSA-N	-1	0	318.376	0.730	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H]1CCCc2c1cnn2C)C(=O)[O-]	ZINC000576897504	341868797	/nfs/dbraw/zinc/86/87/97/341868797.db2.gz	JVNUXPCKUICNJL-VXGBXAGGSA-N	-1	0	322.365	0.753	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(C#N)c1Cl	ZINC001601071864	1159779928	/nfs/dbraw/zinc/77/99/28/1159779928.db2.gz	FWUONPLERUHXDX-UHFFFAOYSA-N	-1	0	313.722	0.811	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)CC1	ZINC000275296061	534561374	/nfs/dbraw/zinc/56/13/74/534561374.db2.gz	PXWCKKOQPQYKND-LLVKDONJSA-N	-1	0	310.331	0.741	20	30		DCEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)N2CC(C(=O)[O-])C2)c1	ZINC000130615832	526633742	/nfs/dbraw/zinc/63/37/42/526633742.db2.gz	DOJZEVFJCSEVKR-UHFFFAOYSA-N	-1	0	300.723	0.917	20	30		DCEDRM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ncnn2C)c1	ZINC000126962538	526659661	/nfs/dbraw/zinc/65/96/61/526659661.db2.gz	LIMOFFPZCKQEDV-UHFFFAOYSA-N	-1	0	321.362	0.532	20	30		DCEDRM
C#CCC1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCCCC1	ZINC000282072768	526676294	/nfs/dbraw/zinc/67/62/94/526676294.db2.gz	NETKGPXVTSPOGU-UHFFFAOYSA-N	-1	0	314.407	0.542	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000262788733	526956789	/nfs/dbraw/zinc/95/67/89/526956789.db2.gz	PJXDSZCTSVOMDP-LLVKDONJSA-N	-1	0	306.318	0.962	20	30		DCEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)C(=O)[O-])c1	ZINC000262172351	527056445	/nfs/dbraw/zinc/05/64/45/527056445.db2.gz	FGFKPJHNDVODFG-UHFFFAOYSA-N	-1	0	324.358	0.191	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)c1	ZINC000262326085	527453496	/nfs/dbraw/zinc/45/34/96/527453496.db2.gz	TXZVILKYAVZSFH-QWHCGFSZSA-N	-1	0	316.313	0.355	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000284341095	527928256	/nfs/dbraw/zinc/92/82/56/527928256.db2.gz	RETGBWCDNZCPBT-NHYWBVRUSA-N	-1	0	321.381	0.597	20	30		DCEDRM
C=CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1	ZINC000349531698	546159518	/nfs/dbraw/zinc/15/95/18/546159518.db2.gz	MEBKAKIDXMFKTE-UHFFFAOYSA-N	-1	0	323.396	0.254	20	30		DCEDRM
N#CCn1cc(NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cn1	ZINC000821324902	597345297	/nfs/dbraw/zinc/34/52/97/597345297.db2.gz	XOGLGLRTKNUBFY-JTQLQIEISA-N	-1	0	319.321	0.058	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](C(N)=O)c2ccccc21	ZINC000819811909	597603998	/nfs/dbraw/zinc/60/39/98/597603998.db2.gz	WYGXYJBDPIVRIO-BDJLRTHQSA-N	-1	0	315.329	0.997	20	30		DCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NC[C@H]1CCCO1	ZINC000820160717	597613595	/nfs/dbraw/zinc/61/35/95/597613595.db2.gz	HEFBGEKIPXWKNS-IMSIIYSGSA-N	-1	0	312.322	0.218	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)O[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000819865056	597622886	/nfs/dbraw/zinc/62/28/86/597622886.db2.gz	GPCJPQRQICUILI-CPCISQLKSA-N	-1	0	322.239	0.697	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(Cc2ccco2)CC1	ZINC000819822653	597629546	/nfs/dbraw/zinc/62/95/46/597629546.db2.gz	PFBCTTWVSXPJFC-OAHLLOKOSA-N	-1	0	305.334	0.928	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCNC(=O)c1ccc(O)cc1	ZINC000819843037	597634233	/nfs/dbraw/zinc/63/42/33/597634233.db2.gz	XRFMLVOVHIXYFV-HNNXBMFYSA-N	-1	0	319.317	0.243	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(Cc2cscn2)CC1	ZINC000819822115	597637587	/nfs/dbraw/zinc/63/75/87/597637587.db2.gz	LVIRMGWRBPZWEX-CQSZACIVSA-N	-1	0	322.390	0.792	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCCN(c2cccnn2)CC1	ZINC000819810453	597643757	/nfs/dbraw/zinc/64/37/57/597643757.db2.gz	BHRKGSNFVPWNSY-HNNXBMFYSA-N	-1	0	317.349	0.520	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCN1CCOC	ZINC000820297088	597648989	/nfs/dbraw/zinc/64/89/89/597648989.db2.gz	LXUCABJZRBXUJC-DOMZBBRYSA-N	-1	0	311.382	0.560	20	30		DCEDRM
COc1cc2c(nn1)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2	ZINC000820805363	597657326	/nfs/dbraw/zinc/65/73/26/597657326.db2.gz	WENGZRYSIPKBOV-CQSZACIVSA-N	-1	0	304.306	0.374	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000819706325	598224657	/nfs/dbraw/zinc/22/46/57/598224657.db2.gz	WRXITRKAWOMXGV-INIZCTEOSA-N	-1	0	313.313	0.727	20	30		DCEDRM
CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820524251	598227723	/nfs/dbraw/zinc/22/77/23/598227723.db2.gz	NIYFHRROWZVLPZ-JRPNMDOOSA-N	-1	0	309.366	0.754	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cn(-c2ccccc2)nn1	ZINC000819849130	598230010	/nfs/dbraw/zinc/23/00/10/598230010.db2.gz	XHIMHUANOMGXHH-HNNXBMFYSA-N	-1	0	313.317	0.888	20	30		DCEDRM
CCOC(=O)c1nnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])s1	ZINC000820373542	598230277	/nfs/dbraw/zinc/23/02/77/598230277.db2.gz	BUCIVCYYPSVHNW-LLVKDONJSA-N	-1	0	312.307	0.658	20	30		DCEDRM
COc1ncc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1C(N)=O	ZINC000820885817	598230565	/nfs/dbraw/zinc/23/05/65/598230565.db2.gz	MUQIJIUOQCYTKD-CYBMUJFWSA-N	-1	0	306.278	0.132	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cccc(F)c2F)[n-]c1-c1nn[nH]n1	ZINC000737705819	598358095	/nfs/dbraw/zinc/35/80/95/598358095.db2.gz	RDCSOMRUEGTDLZ-UHFFFAOYSA-N	-1	0	316.231	0.992	20	30		DCEDRM
N#CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1	ZINC000739087720	599924175	/nfs/dbraw/zinc/92/41/75/599924175.db2.gz	LXCGUZACFUTQAL-CYBMUJFWSA-N	-1	0	303.318	0.364	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CCO1	ZINC000093932741	599981293	/nfs/dbraw/zinc/98/12/93/599981293.db2.gz	HXAGWHNNWBCXMG-VIFPVBQESA-N	-1	0	314.294	0.437	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)COc1ccccc1C#N	ZINC000737605533	600008897	/nfs/dbraw/zinc/00/88/97/600008897.db2.gz	NVIYGOHRWRSSLX-UHFFFAOYSA-N	-1	0	306.274	0.023	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2ccc(F)cc2C(=O)[O-])c1=O	ZINC000737300186	600058398	/nfs/dbraw/zinc/05/83/98/600058398.db2.gz	YDPZWTPBMBTRPE-UHFFFAOYSA-N	-1	0	317.276	0.787	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC000736587949	600347451	/nfs/dbraw/zinc/34/74/51/600347451.db2.gz	IKRPGYMUBMMFBB-ZETCQYMHSA-N	-1	0	309.709	0.987	20	30		DCEDRM
COc1cn(-c2ccccc2)nc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000738148201	600404187	/nfs/dbraw/zinc/40/41/87/600404187.db2.gz	QAOZIDXODCZQIH-UHFFFAOYSA-N	-1	0	314.301	0.931	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000739075538	600406989	/nfs/dbraw/zinc/40/69/89/600406989.db2.gz	HNQUFVOXVILHCI-NSHDSACASA-N	-1	0	301.302	0.476	20	30		DCEDRM
C=CCCN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21	ZINC000736102229	600516835	/nfs/dbraw/zinc/51/68/35/600516835.db2.gz	DXCZPPZNZYGNHN-UHFFFAOYSA-N	-1	0	320.330	0.841	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCc1nc(-c2ccoc2)no1	ZINC000739077549	600550245	/nfs/dbraw/zinc/55/02/45/600550245.db2.gz	QCYOWIOCPRLEEQ-UHFFFAOYSA-N	-1	0	304.262	0.699	20	30		DCEDRM
C#CCN1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1	ZINC000736079026	600592320	/nfs/dbraw/zinc/59/23/20/600592320.db2.gz	FZOZSOJUPODIAS-UHFFFAOYSA-N	-1	0	302.330	0.541	20	30		DCEDRM
COC(=O)N(C)CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737630466	600611651	/nfs/dbraw/zinc/61/16/51/600611651.db2.gz	FKRMENNUKRFZGQ-GFCCVEGCSA-N	-1	0	306.274	0.925	20	30		DCEDRM
C=CCn1nnn(CN2CCSC[C@@H]2CC(=O)[O-])c1=S	ZINC000736117779	600703555	/nfs/dbraw/zinc/70/35/55/600703555.db2.gz	MXUMNWJCEPYLEQ-VIFPVBQESA-N	-1	0	315.424	0.845	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCN1C1CC1	ZINC000833062324	600747212	/nfs/dbraw/zinc/74/72/12/600747212.db2.gz	LNWMJZCZGVMXPZ-SNVBAGLBSA-N	-1	0	324.362	0.074	20	30		DCEDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC000738664742	600764441	/nfs/dbraw/zinc/76/44/41/600764441.db2.gz	NZBXOBXUOZCGDG-UHFFFAOYSA-N	-1	0	313.291	0.502	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000833062694	600773207	/nfs/dbraw/zinc/77/32/07/600773207.db2.gz	OPUHSKXPKRKZFU-GFCCVEGCSA-N	-1	0	310.331	0.439	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000825618888	600916907	/nfs/dbraw/zinc/91/69/07/600916907.db2.gz	GUXLUSHSZXRMJT-UONOGXRCSA-N	-1	0	320.389	0.865	20	30		DCEDRM
COC(=O)c1ccc(C)c(NC(=O)CN(CC#N)CC(=O)[O-])c1	ZINC000831375413	601005051	/nfs/dbraw/zinc/00/50/51/601005051.db2.gz	YFGVWJBOHVLKQF-UHFFFAOYSA-N	-1	0	319.317	0.630	20	30		DCEDRM
CCOc1ccc(CN(C)C(=O)CN(CC#N)CC(=O)[O-])cc1	ZINC000830075351	601226545	/nfs/dbraw/zinc/22/65/45/601226545.db2.gz	PITOFYSHZQCNHE-UHFFFAOYSA-N	-1	0	319.361	0.954	20	30		DCEDRM
C#CCN(CC)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000825614222	601241973	/nfs/dbraw/zinc/24/19/73/601241973.db2.gz	JIDVFCBMZYRFKS-HNNXBMFYSA-N	-1	0	300.358	0.980	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000831585827	601267015	/nfs/dbraw/zinc/26/70/15/601267015.db2.gz	QFHCBCPKHINPFL-GFCCVEGCSA-N	-1	0	313.335	0.111	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)COc1ccccc1C#N	ZINC000831553919	601296682	/nfs/dbraw/zinc/29/66/82/601296682.db2.gz	KFPANACRSSNPEN-HNNXBMFYSA-N	-1	0	306.318	0.933	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1	ZINC000825636730	601481646	/nfs/dbraw/zinc/48/16/46/601481646.db2.gz	RRKIMKFYNSLCQS-HNNXBMFYSA-N	-1	0	304.277	0.632	20	30		DCEDRM
CC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000818285637	601754137	/nfs/dbraw/zinc/75/41/37/601754137.db2.gz	GGGWDFDDNPTLOZ-GFCCVEGCSA-N	-1	0	324.358	0.452	20	30		DCEDRM
CC[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)[O-]	ZINC000828965074	601755193	/nfs/dbraw/zinc/75/51/93/601755193.db2.gz	ZPIQQXAPDLBJJE-LBPRGKRZSA-N	-1	0	313.317	0.919	20	30		DCEDRM
C[C@@H](CC(=O)[O-])C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000827263851	602204779	/nfs/dbraw/zinc/20/47/79/602204779.db2.gz	UXTBRCMUQAAVGS-QWRGUYRKSA-N	-1	0	317.349	0.496	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NC2CCN(C(=O)[O-])CC2)CCN1C1CC1	ZINC000738421600	602690390	/nfs/dbraw/zinc/69/03/90/602690390.db2.gz	GHDKNEBFRQGFFU-ZDUSSCGKSA-N	-1	0	321.381	0.511	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C[C@H]2CCCN2C(=O)[O-])CCN1C1CC1	ZINC000831076449	602919407	/nfs/dbraw/zinc/91/94/07/602919407.db2.gz	MSBRNLLUUMXDJE-OLZOCXBDSA-N	-1	0	306.366	0.718	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CCN1C1CC1	ZINC000831076450	602919610	/nfs/dbraw/zinc/91/96/10/602919610.db2.gz	MSBRNLLUUMXDJE-QWHCGFSZSA-N	-1	0	306.366	0.718	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CCN(C(=O)[O-])[C@@H](C)C2)nc1	ZINC000823455211	603192271	/nfs/dbraw/zinc/19/22/71/603192271.db2.gz	ASRYNCWVOLSWFJ-NSHDSACASA-N	-1	0	302.334	0.633	20	30		DCEDRM
N#Cc1cccc(CC(=O)NCCN2CCN(C(=O)[O-])CC2)c1	ZINC000831146743	603436894	/nfs/dbraw/zinc/43/68/94/603436894.db2.gz	XPWBSVXNWRRKCI-UHFFFAOYSA-N	-1	0	316.361	0.513	20	30		DCEDRM
CC(C)(C)C(=O)NCCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000823754465	603599167	/nfs/dbraw/zinc/59/91/67/603599167.db2.gz	LWEZDEYAXZHCPA-NSHDSACASA-N	-1	0	324.381	0.643	20	30		DCEDRM
CCN(CC)C(=O)CCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827025530	603599182	/nfs/dbraw/zinc/59/91/82/603599182.db2.gz	TYIIAMPOUOWNQY-GFCCVEGCSA-N	-1	0	324.381	0.739	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1ccccc1CN(C)C(=O)[O-]	ZINC000823444997	603718126	/nfs/dbraw/zinc/71/81/26/603718126.db2.gz	SRRCTUIOOLTZOO-UHFFFAOYSA-N	-1	0	303.318	0.874	20	30		DCEDRM
C[C@H](CCNC(=O)CCNC(=O)C1N=CC=CC1=O)NC(=O)[O-]	ZINC000824785936	603720940	/nfs/dbraw/zinc/72/09/40/603720940.db2.gz	IMMLBWYIWAFEJP-TWLKNAOBSA-N	-1	0	324.337	0.065	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C[C@@H](O)COc1ccccc1	ZINC000831091776	603726209	/nfs/dbraw/zinc/72/62/09/603726209.db2.gz	KOSGBQYYOVBSJP-QWHCGFSZSA-N	-1	0	305.334	0.614	20	30		DCEDRM
C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825897093	603729085	/nfs/dbraw/zinc/72/90/85/603729085.db2.gz	VDKDMDHUUNLSMU-JHJVBQTASA-N	-1	0	308.382	0.869	20	30		DCEDRM
N#CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])CC1	ZINC000831102805	603775705	/nfs/dbraw/zinc/77/57/05/603775705.db2.gz	VDUQMIPNJDRLOR-DGCLKSJQSA-N	-1	0	323.397	0.710	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[O-]	ZINC000823456938	603810895	/nfs/dbraw/zinc/81/08/95/603810895.db2.gz	SFUFDVCQIANQRH-RNJOBUHISA-N	-1	0	322.361	0.979	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000831141224	603843501	/nfs/dbraw/zinc/84/35/01/603843501.db2.gz	FOEPCBDBZZOJMD-WCQYABFASA-N	-1	0	319.317	0.166	20	30		DCEDRM
N#Cc1ccccc1OCCOC(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000831156542	603909778	/nfs/dbraw/zinc/90/97/78/603909778.db2.gz	BLROEUMOXRYHQI-LBPRGKRZSA-N	-1	0	320.301	0.859	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)C1	ZINC000831102309	603915707	/nfs/dbraw/zinc/91/57/07/603915707.db2.gz	GDZCSUCYMQETJT-JHJVBQTASA-N	-1	0	308.382	0.774	20	30		DCEDRM
C[C@H](C1CC1)N(C)S(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824544166	603917637	/nfs/dbraw/zinc/91/76/37/603917637.db2.gz	NSMOGQHXRSJQIW-MWLCHTKSSA-N	-1	0	316.383	0.149	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCCc2n[nH]cc21	ZINC000831076400	604000961	/nfs/dbraw/zinc/00/09/61/604000961.db2.gz	LWSLORKSUJNWEE-NXEZZACHSA-N	-1	0	303.322	0.544	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000827111521	604040533	/nfs/dbraw/zinc/04/05/33/604040533.db2.gz	QJMFCVFSEBRKJX-QWRGUYRKSA-N	-1	0	311.338	0.728	20	30		DCEDRM
C[C@H](Oc1cccnc1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825618470	604082653	/nfs/dbraw/zinc/08/26/53/604082653.db2.gz	WRLPPOPCQZFXKM-QWRGUYRKSA-N	-1	0	304.306	0.563	20	30		DCEDRM
C=CCN(C(=O)[C@H](C)CN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000823501417	604111770	/nfs/dbraw/zinc/11/17/70/604111770.db2.gz	WZROBHBKKYVCBH-MNOVXSKESA-N	-1	0	318.395	0.434	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])CCO1	ZINC000831075619	604200280	/nfs/dbraw/zinc/20/02/80/604200280.db2.gz	BBTLNKRSJHAJQV-TUAOUCFPSA-N	-1	0	310.354	0.747	20	30		DCEDRM
N#C[C@H](C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C(=O)N1CCCC1	ZINC000831066392	604219985	/nfs/dbraw/zinc/21/99/85/604219985.db2.gz	WOHPFXVKIOLVEY-NWDGAFQWSA-N	-1	0	323.349	0.477	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000823505979	604241949	/nfs/dbraw/zinc/24/19/49/604241949.db2.gz	ALIATZQKNRLEGZ-DTWKUNHWSA-N	-1	0	315.326	0.176	20	30		DCEDRM
N#C[C@@H](C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCCC1	ZINC000831064556	604385786	/nfs/dbraw/zinc/38/57/86/604385786.db2.gz	JJCPQBJAYLAWAI-MNOVXSKESA-N	-1	0	309.322	0.087	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)CCO1	ZINC000825309286	604708514	/nfs/dbraw/zinc/70/85/14/604708514.db2.gz	JQZVDAYFYFHOJH-RISCZKNCSA-N	-1	0	317.345	0.984	20	30		DCEDRM
N#CCCN(Cc1ccco1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000831097852	604793716	/nfs/dbraw/zinc/79/37/16/604793716.db2.gz	WIZBIOQZLGPNKR-LBPRGKRZSA-N	-1	0	307.306	0.901	20	30		DCEDRM
C=C(C)COCCNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823480684	604840625	/nfs/dbraw/zinc/84/06/25/604840625.db2.gz	KYTVHTOQDFCHEI-NEPJUHHUSA-N	-1	0	315.370	0.646	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)CN1CCN(CCC#N)CC1)C(=O)[O-]	ZINC000833478496	604926578	/nfs/dbraw/zinc/92/65/78/604926578.db2.gz	QWIYHACJOFBCOJ-CYBMUJFWSA-N	-1	0	310.398	0.133	20	30		DCEDRM
N#CCN1CCC(CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000831102688	604958668	/nfs/dbraw/zinc/95/86/68/604958668.db2.gz	QVUBCFDTNUOCIT-ZDUSSCGKSA-N	-1	0	324.381	0.107	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C(C)(C)C(=O)[O-])CC1	ZINC000833466259	605044891	/nfs/dbraw/zinc/04/48/91/605044891.db2.gz	BLUBBNUEVSVMMM-ZDUSSCGKSA-N	-1	0	324.425	0.474	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000833369697	605059848	/nfs/dbraw/zinc/05/98/48/605059848.db2.gz	CXHBTJJEHNIDHX-VIFPVBQESA-N	-1	0	302.352	0.186	20	30		DCEDRM
C=CCOCC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC000833376242	605061345	/nfs/dbraw/zinc/06/13/45/605061345.db2.gz	ZLOWOQHCLDRACI-UHFFFAOYSA-N	-1	0	306.322	0.026	20	30		DCEDRM
N#Cc1cccnc1NCCOC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000831156806	605073937	/nfs/dbraw/zinc/07/39/37/605073937.db2.gz	LETUABFUVWCPSK-LLVKDONJSA-N	-1	0	320.305	0.287	20	30		DCEDRM
C#CCCN1CCN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC000833362289	605192418	/nfs/dbraw/zinc/19/24/18/605192418.db2.gz	KBWKIYRFIZLBDF-AWEZNQCLSA-N	-1	0	321.421	0.339	20	30		DCEDRM
C=CCN(CC(=O)OCC)S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000833375370	605197398	/nfs/dbraw/zinc/19/73/98/605197398.db2.gz	TYBSFYLLXODZIZ-UHFFFAOYSA-N	-1	0	317.319	0.718	20	30		DCEDRM
N#Cc1ccc([C@@H](NCC2(NC(=O)[O-])CCC2)C(N)=O)cc1	ZINC000833972450	605337037	/nfs/dbraw/zinc/33/70/37/605337037.db2.gz	DIOMTIGDOFTMNL-GFCCVEGCSA-N	-1	0	302.334	0.865	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000833366487	605418101	/nfs/dbraw/zinc/41/81/01/605418101.db2.gz	YYIUKPAJXIHVCT-UHFFFAOYSA-N	-1	0	301.295	0.452	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000833366189	605420424	/nfs/dbraw/zinc/42/04/24/605420424.db2.gz	KUYABBSBITVICI-UHFFFAOYSA-N	-1	0	313.331	0.078	20	30		DCEDRM
N#Cc1ccc(N2CCN([C@@H]3CCN(C(=O)[O-])C3)CC2)nc1	ZINC000833975727	605583870	/nfs/dbraw/zinc/58/38/70/605583870.db2.gz	PMOMNEOWRMTZHV-CYBMUJFWSA-N	-1	0	301.350	0.828	20	30		DCEDRM
N#Cc1ccc(N2CCN([C@H]3CCN(C(=O)[O-])C3)CC2)nc1	ZINC000833975730	605583954	/nfs/dbraw/zinc/58/39/54/605583954.db2.gz	PMOMNEOWRMTZHV-ZDUSSCGKSA-N	-1	0	301.350	0.828	20	30		DCEDRM
C=CCOCCCC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833375983	605662677	/nfs/dbraw/zinc/66/26/77/605662677.db2.gz	QJLNIXXXLYEHRK-NWDGAFQWSA-N	-1	0	313.350	0.834	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833375409	605693610	/nfs/dbraw/zinc/69/36/10/605693610.db2.gz	WCQYDMJWMYDBSU-QWHCGFSZSA-N	-1	0	324.377	0.525	20	30		DCEDRM
Cn1cc(C#N)cc1-c1nc([C@@H]2COCCN2C(=O)[O-])no1	ZINC000833942847	605708647	/nfs/dbraw/zinc/70/86/47/605708647.db2.gz	AJTOVONUECHHCM-JTQLQIEISA-N	-1	0	303.278	0.998	20	30		DCEDRM
N#CCCNC(=O)COC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000831097131	605824172	/nfs/dbraw/zinc/82/41/72/605824172.db2.gz	DGRKVCWXXVFPAV-VIFPVBQESA-N	-1	0	315.351	0.045	20	30		DCEDRM
O=C([O-])N[C@@H]1CCCC1=NNC(=S)NC[C@H]1CCCO1	ZINC000834167961	605857243	/nfs/dbraw/zinc/85/72/43/605857243.db2.gz	FKMZFCWNFMCRBZ-RKDXNWHRSA-N	-1	0	300.384	0.806	20	30		DCEDRM
N#C[C@]1(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])CCSC1	ZINC000831070940	605882222	/nfs/dbraw/zinc/88/22/22/605882222.db2.gz	VJNQCJAFBVRPIF-BXKDBHETSA-N	-1	0	315.420	0.987	20	30		DCEDRM
O=C([O-])N[C@@H]1CCCCCC1N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000834183286	606080715	/nfs/dbraw/zinc/08/07/15/606080715.db2.gz	KZLKDCHKQRINGB-MRVPVSSYSA-N	-1	0	319.325	0.800	20	30		DCEDRM
CCO[C@@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)C(C)C	ZINC000821350635	606759926	/nfs/dbraw/zinc/75/99/26/606759926.db2.gz	AEIPVXPVDWHHLX-VIFPVBQESA-N	-1	0	318.341	0.851	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000043703113	658284415	/nfs/dbraw/zinc/28/44/15/658284415.db2.gz	WDVCFYMPCGRXMT-LBPRGKRZSA-N	-1	0	310.331	0.173	20	30		DCEDRM
C[C@H]1CO[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)C1	ZINC000892412435	658354677	/nfs/dbraw/zinc/35/46/77/658354677.db2.gz	ZGJCRUFMMYFLNC-ZWNOBZJWSA-N	-1	0	308.359	0.929	20	30		DCEDRM
CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C	ZINC000947601194	658401749	/nfs/dbraw/zinc/40/17/49/658401749.db2.gz	BVQBCTFYJHQVEQ-VXGBXAGGSA-N	-1	0	318.377	0.092	20	30		DCEDRM
CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C	ZINC000947601192	658401993	/nfs/dbraw/zinc/40/19/93/658401993.db2.gz	BVQBCTFYJHQVEQ-NWDGAFQWSA-N	-1	0	318.377	0.092	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)N(C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1	ZINC000939411570	665576537	/nfs/dbraw/zinc/57/65/37/665576537.db2.gz	SEYFDAIMRAJXAC-ONGXEEELSA-N	-1	0	317.349	0.323	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC000972371728	658636487	/nfs/dbraw/zinc/63/64/87/658636487.db2.gz	APTAVLCSUNUEOJ-UTUOFQBUSA-N	-1	0	321.381	0.134	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(CN2CCOCC2)o1	ZINC000892496354	658726766	/nfs/dbraw/zinc/72/67/66/658726766.db2.gz	LWPSEKYHNSPNHR-ZDUSSCGKSA-N	-1	0	317.345	0.713	20	30		DCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)N(C)CCC(=O)OCC	ZINC000893424347	659130032	/nfs/dbraw/zinc/13/00/32/659130032.db2.gz	WNENKGYDCKVLDQ-UHFFFAOYSA-N	-1	0	320.411	0.835	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC=C(Cl)Cl	ZINC000893249907	659174945	/nfs/dbraw/zinc/17/49/45/659174945.db2.gz	GVPYTCHTXZQHDV-ZETCQYMHSA-N	-1	0	300.163	0.790	20	30		DCEDRM
N#CCN(CC#N)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000194744403	659514282	/nfs/dbraw/zinc/51/42/82/659514282.db2.gz	XJFXWYGILODKCW-UHFFFAOYSA-N	-1	0	313.342	0.561	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)cc2c[nH]nc21	ZINC000726732144	661665793	/nfs/dbraw/zinc/66/57/93/661665793.db2.gz	AZQTUQALNUYSQQ-LBPRGKRZSA-N	-1	0	300.318	0.956	20	30		DCEDRM
Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3c(C#N)cnn3C)C2)cn1	ZINC000900966428	663298299	/nfs/dbraw/zinc/29/82/99/663298299.db2.gz	USAJZESSNOXYOO-QWRGUYRKSA-N	-1	0	314.349	0.720	20	30		DCEDRM
C#CCCN1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC000906828770	663645558	/nfs/dbraw/zinc/64/55/58/663645558.db2.gz	NUEVTWJQJVYPOL-UHFFFAOYSA-N	-1	0	322.386	0.714	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N[C@H](COC)C(=O)[O-]	ZINC000908960290	663777142	/nfs/dbraw/zinc/77/71/42/663777142.db2.gz	BOWGCNRJJIJWEQ-GFCCVEGCSA-N	-1	0	306.318	0.597	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@H]1CSCCS1)C(=O)[O-]	ZINC000909002087	663778327	/nfs/dbraw/zinc/77/83/27/663778327.db2.gz	JUGAPYCMCKJZDQ-NXEZZACHSA-N	-1	0	320.436	0.790	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CSCCS1)C(=O)[O-]	ZINC000909002088	663778344	/nfs/dbraw/zinc/77/83/44/663778344.db2.gz	JUGAPYCMCKJZDQ-UWVGGRQHSA-N	-1	0	320.436	0.790	20	30		DCEDRM
C=CCCC[C@H](NC(=O)NC[C@@]1(OC)CCOC1)C(=O)[O-]	ZINC000909190471	663786088	/nfs/dbraw/zinc/78/60/88/663786088.db2.gz	OTZHROQOQKGAQS-FZMZJTMJSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](COCC)C(=O)[O-]	ZINC000909237206	663788678	/nfs/dbraw/zinc/78/86/78/663788678.db2.gz	FOORIOAOOMXYAQ-SRVKXCTJSA-N	-1	0	300.355	0.709	20	30		DCEDRM
C#CC[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)[O-]	ZINC000910052135	663837376	/nfs/dbraw/zinc/83/73/76/663837376.db2.gz	PBWJATGCIFKYRO-CYBMUJFWSA-N	-1	0	313.313	0.762	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2C)C(=O)[O-]	ZINC000910047111	663840425	/nfs/dbraw/zinc/84/04/25/663840425.db2.gz	YKAJEODENOXRTR-LBPRGKRZSA-N	-1	0	300.314	0.802	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc2cnn(CC)c2nc1C)C(=O)[O-]	ZINC000910049311	663840552	/nfs/dbraw/zinc/84/05/52/663840552.db2.gz	VLMQVVBXIBZFQU-LBPRGKRZSA-N	-1	0	300.318	0.966	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1COc2ccc(OC)cc2C1)C(=O)[O-]	ZINC000910045999	663840616	/nfs/dbraw/zinc/84/06/16/663840616.db2.gz	JFLKEYVTGPTWGB-YPMHNXCESA-N	-1	0	303.314	0.839	20	30		DCEDRM
C#CCn1cc(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)cn1	ZINC000911719561	664102243	/nfs/dbraw/zinc/10/22/43/664102243.db2.gz	XBZXUBGTYXTAIB-QWHCGFSZSA-N	-1	0	305.334	0.402	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000911902666	664122768	/nfs/dbraw/zinc/12/27/68/664122768.db2.gz	ZZEGRENVQQORTM-ZDUSSCGKSA-N	-1	0	308.334	0.898	20	30		DCEDRM
C#CCO[N-]C(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O	ZINC000912449760	664176932	/nfs/dbraw/zinc/17/69/32/664176932.db2.gz	CGGBDLFLSITFNZ-UHFFFAOYSA-N	-1	0	306.318	0.485	20	30		DCEDRM
Cn1nc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c2ccccc2c1=O	ZINC000914535586	664802525	/nfs/dbraw/zinc/80/25/25/664802525.db2.gz	UMWYOYHIDPJULV-UHFFFAOYSA-N	-1	0	319.284	0.652	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(OC)c1	ZINC000916889256	665099031	/nfs/dbraw/zinc/09/90/31/665099031.db2.gz	MXSGFUFMGVRDTH-NSHDSACASA-N	-1	0	306.318	0.789	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Cn2cncn2)cc1	ZINC000916926685	665101225	/nfs/dbraw/zinc/10/12/25/665101225.db2.gz	ROESPKQQFFTDTK-AWEZNQCLSA-N	-1	0	309.329	0.927	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(Cl)c(S(C)(=O)=O)c1	ZINC000917002001	665108047	/nfs/dbraw/zinc/10/80/47/665108047.db2.gz	HZLIFXNCSOGRGB-MRVPVSSYSA-N	-1	0	314.750	0.812	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)nc1n(c2=O)CCC1	ZINC000917005268	665108361	/nfs/dbraw/zinc/10/83/61/665108361.db2.gz	QFQUXSMSKPJKQA-NSHDSACASA-N	-1	0	310.313	0.411	20	30		DCEDRM
N#Cc1ccc(Cl)cc1S(=O)(=O)N1CC(C(=O)[O-])C1	ZINC000071173356	666021580	/nfs/dbraw/zinc/02/15/80/666021580.db2.gz	SDSHODSQSZKBSP-UHFFFAOYSA-N	-1	0	300.723	0.917	20	30		DCEDRM
C#CCN1CC=C(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC001001371771	666043536	/nfs/dbraw/zinc/04/35/36/666043536.db2.gz	PGGUJZKIVMGFSY-UHFFFAOYSA-N	-1	0	312.329	0.924	20	30		DCEDRM
CS(=O)(=O)CCNN=Cc1ccccc1OCC(=O)[O-]	ZINC000733205606	666347128	/nfs/dbraw/zinc/34/71/28/666347128.db2.gz	BVOLUGNXQROGJA-UHFFFAOYSA-N	-1	0	300.336	0.118	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)COC[C@@H]2CCCO2)cc1	ZINC000733675710	666796251	/nfs/dbraw/zinc/79/62/51/666796251.db2.gz	JXFUQIYPADWJFC-LBPRGKRZSA-N	-1	0	324.358	0.559	20	30		DCEDRM
COCCO[N-]C(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000861845311	666986949	/nfs/dbraw/zinc/98/69/49/666986949.db2.gz	RIACZSNXPQHXRQ-UHFFFAOYSA-N	-1	0	311.269	0.339	20	30		DCEDRM
C=C(C)CNC(=S)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863209459	667117658	/nfs/dbraw/zinc/11/76/58/667117658.db2.gz	KSSWOLWVBXCGFS-UHFFFAOYSA-N	-1	0	305.363	0.128	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1cn(CC)cn1)C(=O)[O-]	ZINC000863421283	667142157	/nfs/dbraw/zinc/14/21/57/667142157.db2.gz	QJBQFNVBIQKOER-MRVPVSSYSA-N	-1	0	307.759	0.777	20	30		DCEDRM
C#CCOc1ccc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC000864214508	667225538	/nfs/dbraw/zinc/22/55/38/667225538.db2.gz	RFTZAOODTOSQKB-TZMCWYRMSA-N	-1	0	303.314	0.918	20	30		DCEDRM
C#CCCCCNC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC000864525662	667258485	/nfs/dbraw/zinc/25/84/85/667258485.db2.gz	IOKUSWNKDMKORL-RYUDHWBXSA-N	-1	0	310.350	0.838	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC[C@H]1NCC#N	ZINC001036260256	667433422	/nfs/dbraw/zinc/43/34/22/667433422.db2.gz	LVVHLTPAECHNMI-NXEZZACHSA-N	-1	0	315.333	0.892	20	30		DCEDRM
CC(C)C[C@H](C(=O)[O-])N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1	ZINC000923272428	667489984	/nfs/dbraw/zinc/48/99/84/667489984.db2.gz	KCGYOBCHZQEHLZ-WZRBSPASSA-N	-1	0	300.380	0.356	20	30		DCEDRM
C#Cc1cc(F)c(NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000868220437	667544267	/nfs/dbraw/zinc/54/42/67/667544267.db2.gz	GCWZLOKRSDWZKI-DTORHVGOSA-N	-1	0	322.267	0.864	20	30		DCEDRM
C#Cc1cccc(N(C)C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c1	ZINC000103102242	667693759	/nfs/dbraw/zinc/69/37/59/667693759.db2.gz	WDQADPGYDGAVPE-UHFFFAOYSA-N	-1	0	320.308	0.869	20	30		DCEDRM
COCC1(S(=O)(=O)[N-]C(=O)c2cc(C)c(C#N)cn2)CC1	ZINC000838965749	667722009	/nfs/dbraw/zinc/72/20/09/667722009.db2.gz	YXKKJKQWPRHQJM-UHFFFAOYSA-N	-1	0	309.347	0.500	20	30		DCEDRM
N#C[C@]12CN(C(=O)c3c([O-])cccc3F)C[C@@H]1CS(=O)(=O)C2	ZINC000886207187	667741948	/nfs/dbraw/zinc/74/19/48/667741948.db2.gz	SUWPUPUVBBAFJO-YMTOWFKASA-N	-1	0	324.333	0.542	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)Sc2nncn2C)CC1	ZINC000870831993	667765099	/nfs/dbraw/zinc/76/50/99/667765099.db2.gz	OJXWRIUZDVCZOP-MRVPVSSYSA-N	-1	0	316.408	0.460	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC#N)c2)c[nH]1	ZINC000743256340	667805591	/nfs/dbraw/zinc/80/55/91/667805591.db2.gz	PYWVRJLSGPWQRZ-UHFFFAOYSA-N	-1	0	309.307	0.322	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000871343327	667808808	/nfs/dbraw/zinc/80/88/08/667808808.db2.gz	IDMUGUMQQQRARY-UHFFFAOYSA-N	-1	0	323.271	0.359	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cn(Cc2ccccn2)nn1	ZINC000744023292	667819310	/nfs/dbraw/zinc/81/93/10/667819310.db2.gz	GHCSGHYLIMYKSK-CYBMUJFWSA-N	-1	0	324.344	0.666	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000871973463	667860992	/nfs/dbraw/zinc/86/09/92/667860992.db2.gz	XNDMZYUEAIQFMS-LLVKDONJSA-N	-1	0	309.343	0.716	20	30		DCEDRM
COC(=O)CN(CC#N)C(=O)CSc1n[n-]c(=S)s1	ZINC000747399473	667901832	/nfs/dbraw/zinc/90/18/32/667901832.db2.gz	QTFLYFVMFROHBI-UHFFFAOYSA-N	-1	0	318.405	0.444	20	30		DCEDRM
C=C(Cl)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000752252673	668014658	/nfs/dbraw/zinc/01/46/58/668014658.db2.gz	AKLSLNIHWXNFMB-UHFFFAOYSA-N	-1	0	316.726	0.467	20	30		DCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)CCOC1	ZINC000755583041	668062263	/nfs/dbraw/zinc/06/22/63/668062263.db2.gz	RTIPFNYIZZIAFR-CQSZACIVSA-N	-1	0	308.359	0.931	20	30		DCEDRM
Cn1ncc2c1ncn(N=Cc1cc(C(=O)[O-])cs1)c2=O	ZINC000755632628	668062967	/nfs/dbraw/zinc/06/29/67/668062967.db2.gz	VJEJKBNNZCHIKI-UHFFFAOYSA-N	-1	0	303.303	0.772	20	30		DCEDRM
Cn1cc(C(N)=O)cc1C([O-])=C(C#N)C(=O)NCc1ccccc1	ZINC000756233474	668082976	/nfs/dbraw/zinc/08/29/76/668082976.db2.gz	LHOUXZRIWMYPTM-CYBMUJFWSA-N	-1	0	324.340	0.763	20	30		DCEDRM
Cn1cc(C(N)=O)cc1C([O-])=C(C#N)C(=O)NCc1ccccc1	ZINC000756233475	668083187	/nfs/dbraw/zinc/08/31/87/668083187.db2.gz	LHOUXZRIWMYPTM-ZDUSSCGKSA-N	-1	0	324.340	0.763	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000756565824	668093758	/nfs/dbraw/zinc/09/37/58/668093758.db2.gz	WUGYSQBFIUQZBU-UHFFFAOYSA-N	-1	0	318.332	0.501	20	30		DCEDRM
NC(=O)c1ccc(N=NCc2cccc(OCC(=O)[O-])c2)nn1	ZINC000756836248	668102946	/nfs/dbraw/zinc/10/29/46/668102946.db2.gz	VLRQIPJGFZXNAA-UHFFFAOYSA-N	-1	0	315.289	0.485	20	30		DCEDRM
Cn1nc(Br)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000759431586	668219721	/nfs/dbraw/zinc/21/97/21/668219721.db2.gz	LHDPAOYSUXLHTP-ZETCQYMHSA-N	-1	0	311.139	0.784	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CNC(=O)COc1ccccc1	ZINC000762050190	668344956	/nfs/dbraw/zinc/34/49/56/668344956.db2.gz	LGTBQTWNBZTNBF-UHFFFAOYSA-N	-1	0	306.318	0.281	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(-n2cnnn2)c(C)c1	ZINC000762069910	668345732	/nfs/dbraw/zinc/34/57/32/668345732.db2.gz	YMWZQOFDUUHHEU-UHFFFAOYSA-N	-1	0	301.306	0.684	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cc1	ZINC000762126832	668348069	/nfs/dbraw/zinc/34/80/69/668348069.db2.gz	FCFLDDKJCPCGIL-ZDUSSCGKSA-N	-1	0	308.359	0.583	20	30		DCEDRM
N#Cc1csc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)c1	ZINC000762132206	668348632	/nfs/dbraw/zinc/34/86/32/668348632.db2.gz	ZILWQUXHTBXQKT-MRVPVSSYSA-N	-1	0	300.361	0.716	20	30		DCEDRM
N#CCc1cccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)c1	ZINC000762134853	668348640	/nfs/dbraw/zinc/34/86/40/668348640.db2.gz	VGMJKAZECQDQGY-GFCCVEGCSA-N	-1	0	308.359	0.849	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1	ZINC000764050493	668432834	/nfs/dbraw/zinc/43/28/34/668432834.db2.gz	FXMQLADFNYIZEA-SECBINFHSA-N	-1	0	310.379	0.510	20	30		DCEDRM
CCc1cnc(/C=C/C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)s1	ZINC000876497737	668456690	/nfs/dbraw/zinc/45/66/90/668456690.db2.gz	BHZBYHGHUFVWDG-AATRIKPKSA-N	-1	0	321.358	0.705	20	30		DCEDRM
Cc1nn2c(C=Nn3c(=O)c(C)n[n-]c3=S)c(C)nc2s1	ZINC000765556125	668499291	/nfs/dbraw/zinc/49/92/91/668499291.db2.gz	KYVRBIKRGCRJKE-UHFFFAOYSA-N	-1	0	321.391	0.839	20	30		DCEDRM
CC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000766990786	668555822	/nfs/dbraw/zinc/55/58/22/668555822.db2.gz	OKPUXUTYGCICJR-SNVBAGLBSA-N	-1	0	312.347	0.797	20	30		DCEDRM
CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000766988020	668556148	/nfs/dbraw/zinc/55/61/48/668556148.db2.gz	GXPAVPRSJYHECC-MNOVXSKESA-N	-1	0	324.358	0.797	20	30		DCEDRM
Cn1c([O-])c(C(=O)Nc2ccc(C#N)cc2)c(=O)n(C)c1=O	ZINC000768127197	668599784	/nfs/dbraw/zinc/59/97/84/668599784.db2.gz	RGTZRUDUJURZSB-UHFFFAOYSA-N	-1	0	300.274	0.163	20	30		DCEDRM
CC(C)Cc1nc(C#N)c(N=NCc2cn(CC(=O)[O-])nn2)o1	ZINC000768481489	668611311	/nfs/dbraw/zinc/61/13/11/668611311.db2.gz	BCNCPGIZVSNVET-UHFFFAOYSA-N	-1	0	317.309	0.867	20	30		DCEDRM
O=C([O-])Cn1cc(CN=Nc2ncnc3ccsc32)nn1	ZINC000768483112	668612206	/nfs/dbraw/zinc/61/22/06/668612206.db2.gz	HPNFHQSXPOGEHZ-UHFFFAOYSA-N	-1	0	303.307	0.813	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)c(F)c1	ZINC000768762414	668620572	/nfs/dbraw/zinc/62/05/72/668620572.db2.gz	HBSHRDMROMPKJF-LLVKDONJSA-N	-1	0	322.292	0.697	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC000770868414	668721020	/nfs/dbraw/zinc/72/10/20/668721020.db2.gz	JJZPZSUYDMTZAZ-MNOVXSKESA-N	-1	0	316.361	0.959	20	30		DCEDRM
COCCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000771078423	668730224	/nfs/dbraw/zinc/73/02/24/668730224.db2.gz	YZMSOORHLOICFB-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)ccc1=O	ZINC000771077642	668730235	/nfs/dbraw/zinc/73/02/35/668730235.db2.gz	JUVIKTHWOWBOKF-UHFFFAOYSA-N	-1	0	309.347	0.139	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2c(C#N)cnn2C)nc1Cl	ZINC000771534341	668742302	/nfs/dbraw/zinc/74/23/02/668742302.db2.gz	WQKIKQJVBJJVCH-UHFFFAOYSA-N	-1	0	300.731	0.479	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(CC(F)(F)F)nc1C	ZINC000772718127	668782257	/nfs/dbraw/zinc/78/22/57/668782257.db2.gz	MVBMOZCEJLCOSD-UHFFFAOYSA-N	-1	0	311.285	0.999	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)OC)c1	ZINC000772715906	668782378	/nfs/dbraw/zinc/78/23/78/668782378.db2.gz	ZXZPRHLXBMZHRA-UHFFFAOYSA-N	-1	0	313.331	0.484	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1COc2ccc(OC)cc2C1	ZINC000772723734	668782540	/nfs/dbraw/zinc/78/25/40/668782540.db2.gz	RTODAMIZKHGBJZ-LLVKDONJSA-N	-1	0	311.359	0.878	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)cc1F	ZINC000773974623	668818456	/nfs/dbraw/zinc/81/84/56/668818456.db2.gz	IDDLGAISUCUZAX-NSHDSACASA-N	-1	0	322.292	0.697	20	30		DCEDRM
C[C@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000774207398	668827003	/nfs/dbraw/zinc/82/70/03/668827003.db2.gz	JNAIFVFSTJPCIQ-QWRGUYRKSA-N	-1	0	300.380	0.799	20	30		DCEDRM
CN(C)c1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)ccn1	ZINC000774503228	668836099	/nfs/dbraw/zinc/83/60/99/668836099.db2.gz	RCEUOFFNCJYLID-UHFFFAOYSA-N	-1	0	322.390	0.901	20	30		DCEDRM
COc1cccc(OCC(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000776122687	668871228	/nfs/dbraw/zinc/87/12/28/668871228.db2.gz	SOQJNUWSLILWPM-UHFFFAOYSA-N	-1	0	312.347	0.824	20	30		DCEDRM
COc1ccccc1OCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776123524	668871494	/nfs/dbraw/zinc/87/14/94/668871494.db2.gz	OHRKPLOVCWFCAZ-UHFFFAOYSA-N	-1	0	312.347	0.824	20	30		DCEDRM
Cn1ncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1C1CC1	ZINC000776142979	668871650	/nfs/dbraw/zinc/87/16/50/668871650.db2.gz	CKEOUNXLBJZSFT-UHFFFAOYSA-N	-1	0	310.379	0.907	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1	ZINC000776146648	668871773	/nfs/dbraw/zinc/87/17/73/668871773.db2.gz	PXPZSDCRBCNWQS-UHFFFAOYSA-N	-1	0	315.395	0.289	20	30		DCEDRM
CC(=O)c1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n(C)c1	ZINC000776146291	668871859	/nfs/dbraw/zinc/87/18/59/668871859.db2.gz	LYBXAYHOIJWLHJ-UHFFFAOYSA-N	-1	0	311.363	0.837	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000776587087	668878553	/nfs/dbraw/zinc/87/85/53/668878553.db2.gz	HWYYBHPJEVUTTG-SNVBAGLBSA-N	-1	0	311.363	0.364	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000776598183	668878962	/nfs/dbraw/zinc/87/89/62/668878962.db2.gz	XPUDDSMLWSZJDU-JTQLQIEISA-N	-1	0	313.379	0.917	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2cnn(CC3CC3)c2)n1	ZINC000777637719	668889873	/nfs/dbraw/zinc/88/98/73/668889873.db2.gz	NUYZIBNFGVGYRS-UHFFFAOYSA-N	-1	0	306.351	0.699	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000779197403	668908326	/nfs/dbraw/zinc/90/83/26/668908326.db2.gz	SQBWXKITJQDSMB-SECBINFHSA-N	-1	0	317.257	0.925	20	30		DCEDRM
COCc1ccccc1S(=O)(=O)[N-]C(=O)CSCC#N	ZINC000779309406	668909571	/nfs/dbraw/zinc/90/95/71/668909571.db2.gz	FWPXRKOHXKXQPF-UHFFFAOYSA-N	-1	0	314.388	0.895	20	30		DCEDRM
C=CCN1C(=O)C(=O)N(CC(=O)[N-]OC2CCCCC2)C1=O	ZINC000779322692	668909882	/nfs/dbraw/zinc/90/98/82/668909882.db2.gz	ARRJOGVSJZRUTP-UHFFFAOYSA-N	-1	0	309.322	0.344	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1sc2nccn2c1C	ZINC000780306207	668978309	/nfs/dbraw/zinc/97/83/09/668978309.db2.gz	UUMRDDMBFMBRDH-VIFPVBQESA-N	-1	0	306.347	0.789	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1	ZINC000780992633	669025288	/nfs/dbraw/zinc/02/52/88/669025288.db2.gz	AGPSALXESWNEIO-QWHCGFSZSA-N	-1	0	312.333	0.511	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1)OCC	ZINC000781500282	669046449	/nfs/dbraw/zinc/04/64/49/669046449.db2.gz	KOLRLLOJIMZYIE-NWDGAFQWSA-N	-1	0	305.396	0.983	20	30		DCEDRM
Cc1nnc(NN=Cc2c(Br)cnn2C)[n-]c1=O	ZINC000782150291	669083102	/nfs/dbraw/zinc/08/31/02/669083102.db2.gz	PYYVWHMUFUYJJA-UHFFFAOYSA-N	-1	0	312.131	0.828	20	30		DCEDRM
N#CC(C(=O)NCc1ccccc1)=C([O-])c1cnc2n[nH]nc2c1	ZINC000783076298	669142412	/nfs/dbraw/zinc/14/24/12/669142412.db2.gz	IDEZHSBBILMMNX-LBPRGKRZSA-N	-1	0	320.312	0.992	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@@H]1CCC[C@H]1O)cc2=O	ZINC000783874977	669179536	/nfs/dbraw/zinc/17/95/36/669179536.db2.gz	BODXBUHMLZAJTP-GHMZBOCLSA-N	-1	0	302.290	0.511	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)CO1	ZINC000784502224	669207548	/nfs/dbraw/zinc/20/75/48/669207548.db2.gz	XYEIJBZIRKBRQK-ZWNOBZJWSA-N	-1	0	308.359	0.929	20	30		DCEDRM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ncccc1C#N	ZINC000785553178	669261294	/nfs/dbraw/zinc/26/12/94/669261294.db2.gz	FFPDCUYGXWZQHG-UHFFFAOYSA-N	-1	0	321.318	0.572	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O	ZINC000785957186	669282328	/nfs/dbraw/zinc/28/23/28/669282328.db2.gz	UDUOUBGTGFVLKJ-UHFFFAOYSA-N	-1	0	322.342	0.684	20	30		DCEDRM
Cn1cnc(S(=O)(=O)[N-]C(=O)CC(C)(C)C#N)c1Cl	ZINC000786366689	669307965	/nfs/dbraw/zinc/30/79/65/669307965.db2.gz	JBGWQPKZZBSBBD-UHFFFAOYSA-N	-1	0	304.759	0.818	20	30		DCEDRM
Cn1cnc2c1nccc2C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000805915503	669541576	/nfs/dbraw/zinc/54/15/76/669541576.db2.gz	HAYZJGAAWJAJIS-UHFFFAOYSA-N	-1	0	319.346	0.332	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CCOCCOC)CCC1	ZINC000791835836	669633064	/nfs/dbraw/zinc/63/30/64/669633064.db2.gz	GXTHQBPLQPWODD-UHFFFAOYSA-N	-1	0	305.396	0.842	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)c2cnn(C)n2)n1	ZINC000792536946	669672810	/nfs/dbraw/zinc/67/28/10/669672810.db2.gz	LIRJRLPFVIVSOV-QMMMGPOBSA-N	-1	0	305.319	0.613	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CCSC[C@@H]2C#N)cc1=O	ZINC000935238358	669698152	/nfs/dbraw/zinc/69/81/52/669698152.db2.gz	RLKMNIZBEDKQGW-LBPRGKRZSA-N	-1	0	308.407	0.842	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)cc1C	ZINC000132802347	669749441	/nfs/dbraw/zinc/74/94/41/669749441.db2.gz	CRJNXRUJNGKYSE-UHFFFAOYSA-N	-1	0	306.347	0.821	20	30		DCEDRM
C#C[C@H](CC)NC(=O)c1cc(=O)cc(C(=O)N[C@H](C#C)CC)[n-]1	ZINC000935630707	669752302	/nfs/dbraw/zinc/75/23/02/669752302.db2.gz	LZFLAOXVXFYGCK-VXGBXAGGSA-N	-1	0	313.357	0.658	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000187554909	669936653	/nfs/dbraw/zinc/93/66/53/669936653.db2.gz	OJXTZKWGECUHDM-GFCCVEGCSA-N	-1	0	301.368	0.454	20	30		DCEDRM
COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1	ZINC000796903144	669947557	/nfs/dbraw/zinc/94/75/57/669947557.db2.gz	CXMUPDMUZARTHU-UHFFFAOYSA-N	-1	0	311.363	0.828	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2	ZINC000797253562	669960450	/nfs/dbraw/zinc/96/04/50/669960450.db2.gz	JSZQBXQTOFKNAR-UHFFFAOYSA-N	-1	0	309.343	0.466	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCCOC[C@H]1CCCO1	ZINC000797704602	669973691	/nfs/dbraw/zinc/97/36/91/669973691.db2.gz	ISYOVODJDYJHMN-GFCCVEGCSA-N	-1	0	300.355	0.854	20	30		DCEDRM
COCCOCCS(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797954384	669981957	/nfs/dbraw/zinc/98/19/57/669981957.db2.gz	ODTVAMOEUFNOSE-UHFFFAOYSA-N	-1	0	316.335	0.182	20	30		DCEDRM
O=[N+]([O-])c1ccc(C=NNCCCN2CCOCC2)cc1[O-]	ZINC000799487022	670061906	/nfs/dbraw/zinc/06/19/06/670061906.db2.gz	YYVRQSPGGDSWOU-UHFFFAOYSA-N	-1	0	308.338	0.946	20	30		DCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1C#N	ZINC000799612133	670066395	/nfs/dbraw/zinc/06/63/95/670066395.db2.gz	DWGASYWVYKLTFM-UHFFFAOYSA-N	-1	0	309.347	0.174	20	30		DCEDRM
COC(=O)c1cc(C=Nn2c(=O)c(C)n[n-]c2=S)n(C)c1C	ZINC000800806143	670100774	/nfs/dbraw/zinc/10/07/74/670100774.db2.gz	RLAGEAAMPVDLRL-UHFFFAOYSA-N	-1	0	321.362	0.551	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)CCn1ccnn1	ZINC000802086516	670150398	/nfs/dbraw/zinc/15/03/98/670150398.db2.gz	XDFVXBSJFKXFBX-UHFFFAOYSA-N	-1	0	319.346	0.353	20	30		DCEDRM
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000802153658	670152636	/nfs/dbraw/zinc/15/26/36/670152636.db2.gz	LRZUXMCVCZWOKA-RKDXNWHRSA-N	-1	0	304.368	0.570	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC	ZINC000802162759	670154248	/nfs/dbraw/zinc/15/42/48/670154248.db2.gz	YFDQLHWBASZCBT-UWVGGRQHSA-N	-1	0	307.368	0.223	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC1(C(=O)OCC)CCC1	ZINC000810780270	670497468	/nfs/dbraw/zinc/49/74/68/670497468.db2.gz	WISSKYYQKCJSKK-UHFFFAOYSA-N	-1	0	301.364	0.579	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CSCc1cscn1	ZINC000810779341	670497476	/nfs/dbraw/zinc/49/74/76/670497476.db2.gz	ISSLXUFQZZSKHR-UHFFFAOYSA-N	-1	0	304.418	0.846	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(N(C)C(C)=O)cc1	ZINC000810778987	670497567	/nfs/dbraw/zinc/49/75/67/670497567.db2.gz	UNNQNPFVMBVUDR-UHFFFAOYSA-N	-1	0	308.359	0.752	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)SCC(=O)N2	ZINC000810782026	670497644	/nfs/dbraw/zinc/49/76/44/670497644.db2.gz	GGCHHCFCOZIEKE-UHFFFAOYSA-N	-1	0	324.383	0.814	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COCc1cccc(OC)c1	ZINC000810781088	670497747	/nfs/dbraw/zinc/49/77/47/670497747.db2.gz	FCRWFIBPUDFALG-UHFFFAOYSA-N	-1	0	311.359	0.681	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000810780858	670497793	/nfs/dbraw/zinc/49/77/93/670497793.db2.gz	URAVXPYPTWCHSJ-UHFFFAOYSA-N	-1	0	300.267	0.817	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CSCC(=O)OC(C)(C)C	ZINC000810782656	670497824	/nfs/dbraw/zinc/49/78/24/670497824.db2.gz	RRLNCKSBVNSHNM-UHFFFAOYSA-N	-1	0	321.420	0.531	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C)CC1	ZINC000810984518	670501907	/nfs/dbraw/zinc/50/19/07/670501907.db2.gz	DOLSJRTWENMAHN-UHFFFAOYSA-N	-1	0	302.396	0.703	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC)CC1	ZINC000810986058	670502126	/nfs/dbraw/zinc/50/21/26/670502126.db2.gz	NBYHQYOUYJOTRL-LLVKDONJSA-N	-1	0	302.396	0.262	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NCC(=O)[N-]OCC(F)F)c1	ZINC000811053759	670504703	/nfs/dbraw/zinc/50/47/03/670504703.db2.gz	RFJYFJAYGPAABR-UHFFFAOYSA-N	-1	0	319.289	0.149	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1	ZINC000812781926	670595565	/nfs/dbraw/zinc/59/55/65/670595565.db2.gz	IXAFRIVKACBLAU-AWEZNQCLSA-N	-1	0	302.330	0.981	20	30		DCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1COC[C@H]1c1ccccc1	ZINC000854648236	670604280	/nfs/dbraw/zinc/60/42/80/670604280.db2.gz	AUQFDLQWULDKFX-MELADBBJSA-N	-1	0	304.346	0.913	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCCC#N)cc1C(N)=O	ZINC000813066676	670609059	/nfs/dbraw/zinc/60/90/59/670609059.db2.gz	BPJHHPGVTBNZKV-UHFFFAOYSA-N	-1	0	309.347	0.593	20	30		DCEDRM
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCCC#N	ZINC000813066581	670609190	/nfs/dbraw/zinc/60/91/90/670609190.db2.gz	FPOJQSOXNIPVBD-SNVBAGLBSA-N	-1	0	317.367	0.069	20	30		DCEDRM
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000848599491	670701333	/nfs/dbraw/zinc/70/13/33/670701333.db2.gz	KRGLCNIWWPNQDQ-UWVGGRQHSA-N	-1	0	319.317	0.753	20	30		DCEDRM
C#CC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1ccccc1	ZINC000848607990	670704225	/nfs/dbraw/zinc/70/42/25/670704225.db2.gz	NNIPHTALNNTGKN-AAEUAGOBSA-N	-1	0	302.330	0.704	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000848608707	670704663	/nfs/dbraw/zinc/70/46/63/670704663.db2.gz	CAVFQDNJUNUOMJ-GRYCIOLGSA-N	-1	0	324.377	0.004	20	30		DCEDRM
C=C(Br)CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000848609172	670704823	/nfs/dbraw/zinc/70/48/23/670704823.db2.gz	JBXGGEWRKSAYSA-MRVPVSSYSA-N	-1	0	321.171	0.484	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C1CC[C@@H](C(=O)[O-])C[C@@H]1C	ZINC000814845578	670705553	/nfs/dbraw/zinc/70/55/53/670705553.db2.gz	ZWHCOCLVPKINGZ-JGVFFNPUSA-N	-1	0	300.384	0.073	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H](C)COC1CCCC1	ZINC000849218365	670765947	/nfs/dbraw/zinc/76/59/47/670765947.db2.gz	ARFSEYXBKYMGMY-GFCCVEGCSA-N	-1	0	317.407	0.931	20	30		DCEDRM
Cn1cc(CC(=O)C(C#N)=C([O-])c2nccn2C)c(Cl)n1	ZINC000815987675	670777765	/nfs/dbraw/zinc/77/77/65/670777765.db2.gz	LUHIBBFEUGMCKN-SECBINFHSA-N	-1	0	305.725	0.941	20	30		DCEDRM
C=CCCO[N-]C(=O)C(=O)N1CCN(c2ccccc2)CC1	ZINC000856035616	670777766	/nfs/dbraw/zinc/77/77/66/670777766.db2.gz	GAHPPGQQRMCATC-UHFFFAOYSA-N	-1	0	303.362	0.959	20	30		DCEDRM
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000816023643	670780631	/nfs/dbraw/zinc/78/06/31/670780631.db2.gz	GBUXORATUFLEKB-DTWKUNHWSA-N	-1	0	302.352	0.324	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnc(NC(=O)C(C)C)c1	ZINC000816056290	670783859	/nfs/dbraw/zinc/78/38/59/670783859.db2.gz	MDUZOOMPMYZGSK-UHFFFAOYSA-N	-1	0	323.374	0.759	20	30		DCEDRM
C=CCOc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1OC	ZINC000816733458	670852071	/nfs/dbraw/zinc/85/20/71/670852071.db2.gz	XQCLMEGXWXGKBO-UHFFFAOYSA-N	-1	0	306.278	0.647	20	30		DCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cncc(OCC(F)(F)F)n1	ZINC000850466274	670916045	/nfs/dbraw/zinc/91/60/45/670916045.db2.gz	MSGIQRAXILZPJV-UHFFFAOYSA-N	-1	0	320.227	0.590	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O	ZINC000850476615	670916691	/nfs/dbraw/zinc/91/66/91/670916691.db2.gz	OSUHXJZXLYYSRX-VIFPVBQESA-N	-1	0	303.318	0.533	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000850848973	670949169	/nfs/dbraw/zinc/94/91/69/670949169.db2.gz	KZHCFQPDIJDZFX-VIFPVBQESA-N	-1	0	321.358	0.327	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1	ZINC000817900514	670951608	/nfs/dbraw/zinc/95/16/08/670951608.db2.gz	ULEVSKIVFBAFBQ-GJZGRUSLSA-N	-1	0	307.350	0.462	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C	ZINC000851174306	670971999	/nfs/dbraw/zinc/97/19/99/670971999.db2.gz	AQMILIMUVFQDRR-UHFFFAOYSA-N	-1	0	320.374	0.967	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cc(OC)ns1	ZINC000851437817	670988398	/nfs/dbraw/zinc/98/83/98/670988398.db2.gz	UUHXYUJPGNZYAI-MRVPVSSYSA-N	-1	0	318.376	0.136	20	30		DCEDRM
COCC(COC)S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000851501087	670993428	/nfs/dbraw/zinc/99/34/28/670993428.db2.gz	IJVUDAOCAVSZGP-UHFFFAOYSA-N	-1	0	318.376	0.341	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851502160	670993912	/nfs/dbraw/zinc/99/39/12/670993912.db2.gz	CATDYAHTXDGIBK-UHFFFAOYSA-N	-1	0	301.311	0.305	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000819720151	671134686	/nfs/dbraw/zinc/13/46/86/671134686.db2.gz	JLKOMSZOLTXOFL-LLVKDONJSA-N	-1	0	318.395	0.484	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)Cc2ccon2)CCOCC1	ZINC000820184045	671176038	/nfs/dbraw/zinc/17/60/38/671176038.db2.gz	JODDULPMGLBIHE-UHFFFAOYSA-N	-1	0	314.363	0.994	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)nn1	ZINC000820563613	671210576	/nfs/dbraw/zinc/21/05/76/671210576.db2.gz	HVGFVPQJKOYCRM-JTQLQIEISA-N	-1	0	314.367	0.093	20	30		DCEDRM
CN1CC(=O)Nc2cc(C([O-])=C(C#N)C(=O)NC3CC3)cnc21	ZINC000860473690	671211837	/nfs/dbraw/zinc/21/18/37/671211837.db2.gz	PXLKPRXEEWJDEO-JTQLQIEISA-N	-1	0	313.317	0.071	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000853205137	671218429	/nfs/dbraw/zinc/21/84/29/671218429.db2.gz	ZOPZZDISUPSAEY-MNOVXSKESA-N	-1	0	309.384	0.075	20	30		DCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC	ZINC000860664846	671228578	/nfs/dbraw/zinc/22/85/78/671228578.db2.gz	FFQLIGGKKKZZNK-VHSXEESVSA-N	-1	0	318.395	0.960	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccn(C2CCOCC2)n1	ZINC000860720549	671233030	/nfs/dbraw/zinc/23/30/30/671233030.db2.gz	FSIHPWWUWBEGPD-UHFFFAOYSA-N	-1	0	311.363	0.318	20	30		DCEDRM
Cc1noc(C)c1/C=C/C(=O)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000821012319	671245580	/nfs/dbraw/zinc/24/55/80/671245580.db2.gz	HNLICCDTRXLHMT-AATRIKPKSA-N	-1	0	305.290	0.291	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2cn(C)cn2)CCOCC1	ZINC000821365685	671274628	/nfs/dbraw/zinc/27/46/28/671274628.db2.gz	TWZUMHZXEPLSKA-UHFFFAOYSA-N	-1	0	313.379	0.598	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F	ZINC000824232958	671424246	/nfs/dbraw/zinc/42/42/46/671424246.db2.gz	NXKQZOILJLCASF-YUMQZZPRSA-N	-1	0	301.286	0.833	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F	ZINC000824659766	671435849	/nfs/dbraw/zinc/43/58/49/671435849.db2.gz	LSIFXSUMMUMJMN-SFYZADRCSA-N	-1	0	301.286	0.833	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCO1	ZINC000824868077	671442502	/nfs/dbraw/zinc/44/25/02/671442502.db2.gz	SQLDCYTXIAFIEZ-BQBZGAKWSA-N	-1	0	302.298	0.215	20	30		DCEDRM
C#C[C@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C1CCOCC1	ZINC000825667592	671469062	/nfs/dbraw/zinc/46/90/62/671469062.db2.gz	ZVYNDCYRVOGMLJ-HNNXBMFYSA-N	-1	0	319.405	0.920	20	30		DCEDRM
CN(Cc1cccc(NC(=O)Cn2cnc(C#N)n2)c1)C(=O)[O-]	ZINC000828375548	671551532	/nfs/dbraw/zinc/55/15/32/671551532.db2.gz	LGNGOQYMHVUBTJ-UHFFFAOYSA-N	-1	0	314.305	0.898	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)nc1	ZINC000831144038	671655761	/nfs/dbraw/zinc/65/57/61/671655761.db2.gz	CBXVAYAUHUOVSV-UHFFFAOYSA-N	-1	0	311.263	0.813	20	30		DCEDRM
COC(=O)CN(CC#N)CC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000831163611	671656677	/nfs/dbraw/zinc/65/66/77/671656677.db2.gz	BOUTVHTZYMXSJL-UHFFFAOYSA-N	-1	0	305.290	0.322	20	30		DCEDRM
C=CCNC(=O)CNC(=O)Cn1cc(C(=O)[O-])c2ccccc21	ZINC000833377476	671747404	/nfs/dbraw/zinc/74/74/04/671747404.db2.gz	YYPWTLZNPRMLBE-UHFFFAOYSA-N	-1	0	315.329	0.758	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000835272972	671792373	/nfs/dbraw/zinc/79/23/73/671792373.db2.gz	ZRNPJKFKFMCNIT-VIFPVBQESA-N	-1	0	311.315	0.259	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000835332622	671793959	/nfs/dbraw/zinc/79/39/59/671793959.db2.gz	ZREXKTQISZDDJT-UHFFFAOYSA-N	-1	0	319.346	0.456	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCOC[C@@H]2OC)CC1	ZINC000835449614	671796609	/nfs/dbraw/zinc/79/66/09/671796609.db2.gz	QAIYZQFABNOTMA-RYUDHWBXSA-N	-1	0	317.407	0.983	20	30		DCEDRM
COCCN(CC#N)C(=O)CSc1n[n-]c(=S)s1	ZINC000837233063	671852644	/nfs/dbraw/zinc/85/26/44/671852644.db2.gz	GEBVAZLXHYFVDV-UHFFFAOYSA-N	-1	0	304.422	0.917	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NC1(C(=O)[O-])CCCCC1	ZINC000841776258	671953517	/nfs/dbraw/zinc/95/35/17/671953517.db2.gz	GWGMLJJMLRIPHG-SNVBAGLBSA-N	-1	0	303.384	0.700	20	30		DCEDRM
CCCCCC[C@@H](C)NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000842616791	672021969	/nfs/dbraw/zinc/02/19/69/672021969.db2.gz	VWSHKCYMTXZDQP-LLVKDONJSA-N	-1	0	306.366	0.883	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)OC(C)(C)C	ZINC000842779273	672036537	/nfs/dbraw/zinc/03/65/37/672036537.db2.gz	CQDUBNURQZVAEO-UHFFFAOYSA-N	-1	0	303.380	0.824	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)nn1	ZINC000842809789	672039595	/nfs/dbraw/zinc/03/95/95/672039595.db2.gz	ALBXYSOMJJCPPZ-SCVCMEIPSA-N	-1	0	310.379	0.712	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000843875260	672126939	/nfs/dbraw/zinc/12/69/39/672126939.db2.gz	KZQMBQFFKSLDFU-LBPRGKRZSA-N	-1	0	303.366	0.314	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1nnnc1-c1ccsc1	ZINC000844155006	672153440	/nfs/dbraw/zinc/15/34/40/672153440.db2.gz	KNPRYZUILJRQFD-UHFFFAOYSA-N	-1	0	307.335	0.501	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1ccc(C)nn1)C(=O)OCC	ZINC000867362457	672191634	/nfs/dbraw/zinc/19/16/34/672191634.db2.gz	GWGOJIVDSZOVJA-NSHDSACASA-N	-1	0	313.379	0.961	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CC1CC1)C(=O)[O-]	ZINC000844801247	672204037	/nfs/dbraw/zinc/20/40/37/672204037.db2.gz	OLORHXJBVVKQPZ-GXSJLCMTSA-N	-1	0	303.384	0.556	20	30		DCEDRM
C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844816976	672204585	/nfs/dbraw/zinc/20/45/85/672204585.db2.gz	MXZASEJSQHOGEP-NSHDSACASA-N	-1	0	314.407	0.762	20	30		DCEDRM
Cc1nnnn1-c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC000845442052	672248376	/nfs/dbraw/zinc/24/83/76/672248376.db2.gz	JZEQRCOMGAYPBZ-CYBMUJFWSA-N	-1	0	310.317	0.572	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000846002161	672287769	/nfs/dbraw/zinc/28/77/69/672287769.db2.gz	FITZDVRYBVHZMU-UHFFFAOYSA-N	-1	0	301.299	0.043	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccnc1OCCOC	ZINC000846149900	672297606	/nfs/dbraw/zinc/29/76/06/672297606.db2.gz	SWZHBGLYDKJUJT-UHFFFAOYSA-N	-1	0	309.322	0.669	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccccc1C(=O)N(C)C	ZINC000846152069	672297733	/nfs/dbraw/zinc/29/77/33/672297733.db2.gz	MSPSYSBANANHSO-SNVBAGLBSA-N	-1	0	305.334	0.949	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000846536757	672325825	/nfs/dbraw/zinc/32/58/25/672325825.db2.gz	YXVNJOUEDFKYOT-LLVKDONJSA-N	-1	0	323.374	0.849	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CSc1nnnn1CC(F)(F)F	ZINC000846538900	672326493	/nfs/dbraw/zinc/32/64/93/672326493.db2.gz	LIMSUZQALCSXGL-UHFFFAOYSA-N	-1	0	311.289	0.951	20	30		DCEDRM
CC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCO1	ZINC000813984489	685351743	/nfs/dbraw/zinc/35/17/43/685351743.db2.gz	SRVZLUFQTRVLNJ-RYUDHWBXSA-N	-1	0	323.374	0.963	20	30		DCEDRM
CO[C@@H](C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1	ZINC000795826859	685345071	/nfs/dbraw/zinc/34/50/71/685345071.db2.gz	CMFDUAOJJIMGCU-GFCCVEGCSA-N	-1	0	302.290	0.775	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc12)C(=O)OC	ZINC000841541898	685365254	/nfs/dbraw/zinc/36/52/54/685365254.db2.gz	YPSCEGMJIWXKIK-LLVKDONJSA-N	-1	0	322.342	0.812	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC000954069851	685938162	/nfs/dbraw/zinc/93/81/62/685938162.db2.gz	HRNNXBUEDJYZMU-UHFFFAOYSA-N	-1	0	306.366	0.919	20	30		DCEDRM
C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000968540479	690311270	/nfs/dbraw/zinc/31/12/70/690311270.db2.gz	VNQGHQGXIPGRPI-MWLCHTKSSA-N	-1	0	315.333	0.892	20	30		DCEDRM
C#CCCN1CCO[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21	ZINC001074219902	694843564	/nfs/dbraw/zinc/84/35/64/694843564.db2.gz	YURGAKPOGANVJO-STQMWFEESA-N	-1	0	318.377	0.362	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H](O)CNC(=O)c1ccccc1O	ZINC001746982659	1157837087	/nfs/dbraw/zinc/83/70/87/1157837087.db2.gz	HUMGRYDUOSVCEX-GFCCVEGCSA-N	-1	0	304.346	0.403	20	30		DCEDRM
CC#CCCCC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001719985303	1158282063	/nfs/dbraw/zinc/28/20/63/1158282063.db2.gz	WWZICHQADSUJGT-UHFFFAOYSA-N	-1	0	318.377	0.902	20	30		DCEDRM
C=CCOCCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001691657315	1158672302	/nfs/dbraw/zinc/67/23/02/1158672302.db2.gz	AGSMBWICESKVMI-NEPJUHHUSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC001604062136	1159786982	/nfs/dbraw/zinc/78/69/82/1159786982.db2.gz	ZQYLAZPQIXQBQX-SCZZXKLOSA-N	-1	0	307.397	0.015	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H](O)c1ccc(Cl)cc1F	ZINC001610622044	1159838693	/nfs/dbraw/zinc/83/86/93/1159838693.db2.gz	AYEIXQIFGSFUNF-NSHDSACASA-N	-1	0	300.673	0.949	20	30		DCEDRM
N#CCN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001565809155	1159894677	/nfs/dbraw/zinc/89/46/77/1159894677.db2.gz	DXFASPNEMRIFGX-UHFFFAOYSA-N	-1	0	315.333	0.505	20	30		DCEDRM
C=CCCOCC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001569655766	1161183048	/nfs/dbraw/zinc/18/30/48/1161183048.db2.gz	WHDDTZPTFBQSKQ-AWEZNQCLSA-N	-1	0	309.370	0.184	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001569904331	1161310342	/nfs/dbraw/zinc/31/03/42/1161310342.db2.gz	JIAVIKKDJCJUJK-RYUDHWBXSA-N	-1	0	321.381	0.278	20	30		DCEDRM
C[C@]1(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC=CCC1	ZINC001570253967	1161527135	/nfs/dbraw/zinc/52/71/35/1161527135.db2.gz	PLOIDCAFBVWYMM-HNNXBMFYSA-N	-1	0	302.334	0.826	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C(=O)[O-]	ZINC001573308493	1161558926	/nfs/dbraw/zinc/55/89/26/1161558926.db2.gz	XUQBODCDUNEJDI-HTQZYQBOSA-N	-1	0	314.729	0.258	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C(=O)[O-]	ZINC001573307036	1163412516	/nfs/dbraw/zinc/41/25/16/1163412516.db2.gz	GKRXUKQJMWWADR-HTQZYQBOSA-N	-1	0	312.775	0.026	20	30		DCEDRM
CC#CCCCC(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1	ZINC001573385382	1163420761	/nfs/dbraw/zinc/42/07/61/1163420761.db2.gz	ZJAUVJSMHOOCGU-UHFFFAOYSA-N	-1	0	316.361	0.851	20	30		DCEDRM
C[C@@H](NC(=O)[C@H](C)NC(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC001573554247	1163494120	/nfs/dbraw/zinc/49/41/20/1163494120.db2.gz	QPEGGHXGKJUWCE-NKWVEPMBSA-N	-1	0	310.335	0.719	20	30		DCEDRM
C[C@H](NC(=O)COc1cccc(C#N)c1)c1nc(C(=O)[O-])n[nH]1	ZINC001573560913	1163499789	/nfs/dbraw/zinc/49/97/89/1163499789.db2.gz	ABZLTUQDOBDMHB-QMMMGPOBSA-N	-1	0	315.289	0.631	20	30		DCEDRM
Cc1cn(C)nc1C(=O)Nc1c(C(=O)[O-])cnn1CCC#N	ZINC001574173576	1163652150	/nfs/dbraw/zinc/65/21/50/1163652150.db2.gz	WYLWFTPIUODBOY-UHFFFAOYSA-N	-1	0	302.294	0.789	20	30		DCEDRM
Cn1c(C(=O)[O-])cnc1NC(=O)NCc1nc(C#N)cs1	ZINC001574210093	1163664817	/nfs/dbraw/zinc/66/48/17/1163664817.db2.gz	XYFGSLXUHQDSAP-UHFFFAOYSA-N	-1	0	306.307	0.768	20	30		DCEDRM
N#CCCn1ncc(C(=O)[O-])c1NC(=O)c1csc(=O)[nH]1	ZINC001574241936	1163672033	/nfs/dbraw/zinc/67/20/33/1163672033.db2.gz	RYGLTTLIQXUGHK-UHFFFAOYSA-N	-1	0	307.291	0.909	20	30		DCEDRM
N#Cc1ccc(CC(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])cn1	ZINC001574245130	1163672463	/nfs/dbraw/zinc/67/24/63/1163672463.db2.gz	GVHAJHGXIOVAQB-CHWSQXEVSA-N	-1	0	303.318	0.634	20	30		DCEDRM
N#CCc1cccc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)c1	ZINC001574241134	1163672501	/nfs/dbraw/zinc/67/25/01/1163672501.db2.gz	IDUKCQMTDGFCAI-CHWSQXEVSA-N	-1	0	303.318	0.453	20	30		DCEDRM
N#Cc1ccc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)cc1	ZINC001574248972	1163675061	/nfs/dbraw/zinc/67/50/61/1163675061.db2.gz	CQPVLXKWEDBHPK-CMPLNLGQSA-N	-1	0	304.306	0.650	20	30		DCEDRM
CC[C@]1(CO)CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001577113787	1164606049	/nfs/dbraw/zinc/60/60/49/1164606049.db2.gz	FKEPFWQUFUGXKC-AWEZNQCLSA-N	-1	0	314.353	0.517	20	30		DCEDRM
Cc1nnc(CN(C)c2cnc(C#N)c(-c3nnn[n-]3)n2)s1	ZINC001581609820	1165850250	/nfs/dbraw/zinc/85/02/50/1165850250.db2.gz	UMSGMQBEDUVLEC-UHFFFAOYSA-N	-1	0	314.338	0.325	20	30		DCEDRM
N#CC1(C(=O)NCc2ccc(-c3nn[nH]n3)s2)CCOCC1	ZINC001581857153	1165890366	/nfs/dbraw/zinc/89/03/66/1165890366.db2.gz	QXSCVWHXPCQLSD-UHFFFAOYSA-N	-1	0	318.362	0.865	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCO[C@H]2C2CC2)[n-]c1-c1nn[nH]n1	ZINC001581860670	1165892479	/nfs/dbraw/zinc/89/24/79/1165892479.db2.gz	MQDYBUUCCHBBHR-XCBNKYQSSA-N	-1	0	314.309	0.215	20	30		DCEDRM
N#CCc1ccc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)cc1	ZINC001581859507	1165893061	/nfs/dbraw/zinc/89/30/61/1165893061.db2.gz	KBGNFOBLNNRLFS-UHFFFAOYSA-N	-1	0	309.289	0.243	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)[C@H](C#N)c1ccccc1	ZINC001581860816	1165893911	/nfs/dbraw/zinc/89/39/11/1165893911.db2.gz	UVKWWPXCZQWELO-LLVKDONJSA-N	-1	0	318.300	0.811	20	30		DCEDRM
N#Cc1ncc(N2CCC(n3cccn3)CC2)nc1-c1nnn[n-]1	ZINC001581882039	1165902149	/nfs/dbraw/zinc/90/21/49/1165902149.db2.gz	JDXDVAHDNGNXQJ-UHFFFAOYSA-N	-1	0	322.336	0.566	20	30		DCEDRM
N#Cc1ncc(NCCCO[C@@H]2CCOC2)nc1-c1nnn[n-]1	ZINC001581884246	1165904136	/nfs/dbraw/zinc/90/41/36/1165904136.db2.gz	QXKINHPKRYFJCQ-SECBINFHSA-N	-1	0	316.325	0.136	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)C2(n3cnnn3)CCOCC2)c1	ZINC001587208726	1166505120	/nfs/dbraw/zinc/50/51/20/1166505120.db2.gz	MFHWOHAXAFJSMS-UHFFFAOYSA-N	-1	0	314.305	0.161	20	30		DCEDRM
C#CCOCCn1cc(Br)cc(-c2nnn[n-]2)c1=O	ZINC001588363551	1166549449	/nfs/dbraw/zinc/54/94/49/1166549449.db2.gz	NGPAQVJYKWEGQL-UHFFFAOYSA-N	-1	0	324.138	0.441	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)[O-]	ZINC001588414365	1166550761	/nfs/dbraw/zinc/55/07/61/1166550761.db2.gz	LPSUIEFAGBWTNT-QMMMGPOBSA-N	-1	0	306.230	0.530	20	30		DCEDRM
C#CCN1CCN(C(=O)CNc2ccc(C(=O)[O-])cc2C)CC1	ZINC001588477252	1166558340	/nfs/dbraw/zinc/55/83/40/1166558340.db2.gz	MTBMIHMWJCPDDH-UHFFFAOYSA-N	-1	0	315.373	0.883	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(C(=O)OC)c1)C(=O)[O-]	ZINC001588861614	1166611543	/nfs/dbraw/zinc/61/15/43/1166611543.db2.gz	IQTQHQXIKCIGHK-GFCCVEGCSA-N	-1	0	307.302	0.859	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccnc(C(=O)OC)c1)C(=O)[O-]	ZINC001588861617	1166611893	/nfs/dbraw/zinc/61/18/93/1166611893.db2.gz	IQYRZQRZQCCXSY-NSHDSACASA-N	-1	0	308.290	0.254	20	30		DCEDRM
CC(C)(CO)CCCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589293808	1166644266	/nfs/dbraw/zinc/64/42/66/1166644266.db2.gz	MBQXLADEOCWTLE-UHFFFAOYSA-N	-1	0	302.342	0.739	20	30		DCEDRM
C[C@@H]1CCC[C@H](CNc2cnc(-c3nn[nH]n3)c(C#N)n2)O1	ZINC001590241939	1166824263	/nfs/dbraw/zinc/82/42/63/1166824263.db2.gz	IWDNITZRCKKWKA-RKDXNWHRSA-N	-1	0	300.326	0.898	20	30		DCEDRM
COCCn1cc(Nc2cnc(C#N)c(-c3nnn[n-]3)n2)cn1	ZINC001591450033	1167289909	/nfs/dbraw/zinc/28/99/09/1167289909.db2.gz	CDPZRBZQNASQHL-UHFFFAOYSA-N	-1	0	312.297	0.115	20	30		DCEDRM
COCc1nc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)cs1	ZINC001591459113	1167295156	/nfs/dbraw/zinc/29/51/56/1167295156.db2.gz	GJBBLOCEYAISCO-UHFFFAOYSA-N	-1	0	317.338	0.168	20	30		DCEDRM
Cc1cc(C)n(CCCNc2cnc(C#N)c(-c3nnn[n-]3)n2)n1	ZINC001591956071	1167426253	/nfs/dbraw/zinc/42/62/53/1167426253.db2.gz	VZYWQPMJFLWLBV-UHFFFAOYSA-N	-1	0	324.352	0.844	20	30		DCEDRM
Cc1nccnc1CCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001592419883	1167518417	/nfs/dbraw/zinc/51/84/17/1167518417.db2.gz	BRBWYRVJWWGPPA-UHFFFAOYSA-N	-1	0	308.309	0.281	20	30		DCEDRM
N#Cc1ncc(Sc2n[nH]c(C3CC3)n2)nc1-c1nnn[n-]1	ZINC001592708910	1167608810	/nfs/dbraw/zinc/60/88/10/1167608810.db2.gz	ZIKAPWIJKXFNHK-UHFFFAOYSA-N	-1	0	312.322	0.675	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](C(=O)[O-])C1	ZINC001598795107	1168036675	/nfs/dbraw/zinc/03/66/75/1168036675.db2.gz	CVAVMSLIXLKZPJ-KWQFWETISA-N	-1	0	305.290	0.365	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2ccc(C#N)n2C)[C@@H](C(=O)[O-])C1	ZINC001598797356	1168037660	/nfs/dbraw/zinc/03/76/60/1168037660.db2.gz	NHGMIQBTARYECX-BXKDBHETSA-N	-1	0	319.317	0.375	20	30		DCEDRM
CO[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)[C@@H](C(=O)[O-])C1	ZINC001599121936	1168066760	/nfs/dbraw/zinc/06/67/60/1168066760.db2.gz	HCIGRHWWTCFHQG-QWHCGFSZSA-N	-1	0	322.365	0.206	20	30		DCEDRM
Cc1c(C(=O)[O-])cc(CNC(=O)[C@@H](C)n2cnc(C#N)n2)n1C	ZINC001599989063	1168076049	/nfs/dbraw/zinc/07/60/49/1168076049.db2.gz	MKSFAVCVDWIOGN-SECBINFHSA-N	-1	0	316.321	0.372	20	30		DCEDRM
Cc1c(C(=O)O[C@H]2C[C@@H](C(=O)[O-])[N@H+](C)C2)cnn1CCC#N	ZINC001600004830	1168088266	/nfs/dbraw/zinc/08/82/66/1168088266.db2.gz	CZSMFVXNGMZHDZ-JQWIXIFHSA-N	-1	0	306.322	0.419	20	30		DCEDRM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCC#CCO)c1F	ZINC001600113834	1168122015	/nfs/dbraw/zinc/12/20/15/1168122015.db2.gz	DAJAMJVBJQHHAM-UHFFFAOYSA-N	-1	0	301.295	0.106	20	30		DCEDRM
Cc1cc(NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)nn1CCC#N	ZINC001600264192	1168152783	/nfs/dbraw/zinc/15/27/83/1168152783.db2.gz	DAFDQHCWXUVIPQ-MNOVXSKESA-N	-1	0	321.337	0.811	20	30		DCEDRM
Cc1cc(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])ncc1C#N	ZINC001600271804	1168154305	/nfs/dbraw/zinc/15/43/05/1168154305.db2.gz	OXQHSTQWCFYMEW-BXKDBHETSA-N	-1	0	304.306	0.873	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)Cn1cncc(C#N)c1=O	ZINC001600357415	1168173801	/nfs/dbraw/zinc/17/38/01/1168173801.db2.gz	BENRQLKNBJFMBC-UHFFFAOYSA-N	-1	0	312.285	0.760	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])c(C#N)c1	ZINC001600478886	1168189637	/nfs/dbraw/zinc/18/96/37/1168189637.db2.gz	GXHMGNNZSPWXIM-SNVBAGLBSA-N	-1	0	300.311	0.958	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCO[C@](C)(C#N)C2)c(C(=O)[O-])c1	ZINC001600476964	1168189673	/nfs/dbraw/zinc/18/96/73/1168189673.db2.gz	YCUTTYNBVGEHLE-CQSZACIVSA-N	-1	0	324.358	0.996	20	30		DCEDRM
Cc1nc(C#N)c(N2CCC(C(=O)N(C)CC(=O)[O-])CC2)o1	ZINC001600681699	1168247137	/nfs/dbraw/zinc/24/71/37/1168247137.db2.gz	CCTUUIZGGJGJQR-UHFFFAOYSA-N	-1	0	306.322	0.614	20	30		DCEDRM
Cc1nc(CS(=O)(=O)N(CC#N)CCC(=O)[O-])cs1	ZINC001600704178	1168258297	/nfs/dbraw/zinc/25/82/97/1168258297.db2.gz	HQQHZSPLPOOCDQ-UHFFFAOYSA-N	-1	0	303.365	0.582	20	30		DCEDRM
Cn1c([C@H]2C[C@H]2C#N)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001600910779	1168502994	/nfs/dbraw/zinc/50/29/94/1168502994.db2.gz	OKSSJFKKYWQZOT-FIQHERPVSA-N	-1	0	301.350	0.989	20	30		DCEDRM
Cn1cc(C#N)c(=O)n(Cc2ccc(C(=O)[O-])c(Cl)c2)c1=O	ZINC001600927399	1168510006	/nfs/dbraw/zinc/51/00/06/1168510006.db2.gz	HZPDIAMNPNQYTH-UHFFFAOYSA-N	-1	0	319.704	0.819	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC001601004227	1168557848	/nfs/dbraw/zinc/55/78/48/1168557848.db2.gz	MPRRMZFHAZYDER-JTQLQIEISA-N	-1	0	318.337	0.322	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC001601052998	1168578482	/nfs/dbraw/zinc/57/84/82/1168578482.db2.gz	ZWSJVBGNYLEKCT-LVEVGFFFSA-N	-1	0	305.334	0.562	20	30		DCEDRM
N#CC1(C[C@@H](O)CN2CC(F)(F)C[C@H]2C(=O)[O-])CCOCC1	ZINC001601054286	1168578662	/nfs/dbraw/zinc/57/86/62/1168578662.db2.gz	JBCWATMHEWIBDR-MNOVXSKESA-N	-1	0	318.320	0.852	20	30		DCEDRM
N#CC[C@H](NC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1)C(F)(F)F	ZINC001601061919	1168579354	/nfs/dbraw/zinc/57/93/54/1168579354.db2.gz	JMECCOOBWYYWRT-VGMNWLOBSA-N	-1	0	323.271	0.867	20	30		DCEDRM
N#CCCCS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	ZINC001601065668	1168580020	/nfs/dbraw/zinc/58/00/20/1168580020.db2.gz	REWZQINPYSXIMQ-UHFFFAOYSA-N	-1	0	302.274	0.959	20	30		DCEDRM
N#CCCN(Cc1cccnc1)S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001601067968	1168580325	/nfs/dbraw/zinc/58/03/25/1168580325.db2.gz	XTPVHLUSOGIDQO-UHFFFAOYSA-N	-1	0	323.374	0.992	20	30		DCEDRM
N#CCCN1CCN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC1	ZINC001601067750	1168580554	/nfs/dbraw/zinc/58/05/54/1168580554.db2.gz	KSJNWFFFPBDEBQ-QWHCGFSZSA-N	-1	0	308.382	0.871	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21	ZINC001601069458	1168580585	/nfs/dbraw/zinc/58/05/85/1168580585.db2.gz	DFSAXLKZPGSYCK-QJPTWQEYSA-N	-1	0	307.350	0.508	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc([C@H]2CCC(=O)N2)cc1	ZINC001601070097	1168580912	/nfs/dbraw/zinc/58/09/12/1168580912.db2.gz	XAGZKKBQBMSYOO-GFCCVEGCSA-N	-1	0	301.302	0.688	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)C[C@H]1NC(=O)c2ccccc21	ZINC001601069798	1168581342	/nfs/dbraw/zinc/58/13/42/1168581342.db2.gz	GSGOMDGYTWCTJC-GFCCVEGCSA-N	-1	0	301.302	0.688	20	30		DCEDRM
N#CCOc1cccc(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c1	ZINC001601073914	1168581455	/nfs/dbraw/zinc/58/14/55/1168581455.db2.gz	DJRTWYXJVSZDII-IUODEOHRSA-N	-1	0	318.329	0.737	20	30		DCEDRM
N#CCN(CCC(=O)[O-])Cc1ccc(S(N)(=O)=O)cc1F	ZINC001601073071	1168581961	/nfs/dbraw/zinc/58/19/61/1168581961.db2.gz	ZVQVBUCCABCKEF-UHFFFAOYSA-N	-1	0	315.326	0.273	20	30		DCEDRM
N#CCc1cccc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)c1	ZINC001601077422	1168582213	/nfs/dbraw/zinc/58/22/13/1168582213.db2.gz	CWKCPILQJQQHOV-ZDUSSCGKSA-N	-1	0	316.313	0.985	20	30		DCEDRM
N#CCNCCCOC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001601074718	1168582432	/nfs/dbraw/zinc/58/24/32/1168582432.db2.gz	OEYAGWZEGGEAGP-STQMWFEESA-N	-1	0	309.366	0.218	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)c2csc(C(=O)[O-])n2)C1	ZINC001601074778	1168582517	/nfs/dbraw/zinc/58/25/17/1168582517.db2.gz	QFLBKJGNICRSMA-VIFPVBQESA-N	-1	0	308.363	0.807	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC001601078070	1168582758	/nfs/dbraw/zinc/58/27/58/1168582758.db2.gz	GXSFPFWSRRXAIF-CYBMUJFWSA-N	-1	0	312.322	0.940	20	30		DCEDRM
N#CCc1cccc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)c1	ZINC001601078155	1168582890	/nfs/dbraw/zinc/58/28/90/1168582890.db2.gz	WKJZJYYMCLOKBU-UHFFFAOYSA-N	-1	0	301.302	0.815	20	30		DCEDRM
N#Cc1ccc(C(=O)NCCn2cc(C(=O)[O-])nn2)nc1Cl	ZINC001601091771	1168584030	/nfs/dbraw/zinc/58/40/30/1168584030.db2.gz	CWMBNCAXWJXTKZ-UHFFFAOYSA-N	-1	0	320.696	0.326	20	30		DCEDRM
N#Cc1cc(NCCC(=O)NCCC(=O)[O-])nc(C2CC2)n1	ZINC001601090456	1168584165	/nfs/dbraw/zinc/58/41/65/1168584165.db2.gz	BZYYNEQENGKGGV-UHFFFAOYSA-N	-1	0	303.322	0.619	20	30		DCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1	ZINC001601095209	1168584544	/nfs/dbraw/zinc/58/45/44/1168584544.db2.gz	KMUHWONGIVDXMM-UONOGXRCSA-N	-1	0	317.345	0.242	20	30		DCEDRM
N#Cc1ccc([C@@H]2CN(CCC(=O)NCC(=O)[O-])CCO2)cc1	ZINC001601098603	1168584566	/nfs/dbraw/zinc/58/45/66/1168584566.db2.gz	RURWCEVLEMXDQH-AWEZNQCLSA-N	-1	0	317.345	0.522	20	30		DCEDRM
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC001601099470	1168584611	/nfs/dbraw/zinc/58/46/11/1168584611.db2.gz	OECKNSWEIDUTOQ-KBPBESRZSA-N	-1	0	313.313	0.553	20	30		DCEDRM
N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cn1	ZINC001601107815	1168585970	/nfs/dbraw/zinc/58/59/70/1168585970.db2.gz	LOCOFRBNPIQAJL-IKGCNYHESA-N	-1	0	300.318	0.758	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1	ZINC001601106769	1168586229	/nfs/dbraw/zinc/58/62/29/1168586229.db2.gz	BXJVESXNDAGQRD-NEPJUHHUSA-N	-1	0	301.302	0.866	20	30		DCEDRM
N#Cc1cccc([C@@H](C(=O)[O-])N2CCN(c3nccnn3)CC2)c1	ZINC001601119798	1168587088	/nfs/dbraw/zinc/58/70/88/1168587088.db2.gz	YLXZOMYONBOZOJ-AWEZNQCLSA-N	-1	0	324.344	0.691	20	30		DCEDRM
N#Cc1cccc([C@H](C(=O)[O-])N2CCn3nnc(CO)c3C2)c1	ZINC001601119547	1168587169	/nfs/dbraw/zinc/58/71/69/1168587169.db2.gz	SPCPMKUZSWVVML-CQSZACIVSA-N	-1	0	313.317	0.284	20	30		DCEDRM
N#Cc1cccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)c1	ZINC001601120979	1168587175	/nfs/dbraw/zinc/58/71/75/1168587175.db2.gz	WMKWHNAVBRAKAY-GFCCVEGCSA-N	-1	0	301.302	0.820	20	30		DCEDRM
N#Cc1cccc([C@H](Nc2ccn(CCC(N)=O)n2)C(=O)[O-])c1	ZINC001601118022	1168587356	/nfs/dbraw/zinc/58/73/56/1168587356.db2.gz	FSVAVLFMHOHCJX-AWEZNQCLSA-N	-1	0	313.317	0.868	20	30		DCEDRM
N#Cc1cccc(NC2CN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)C2)c1	ZINC001601120864	1168587419	/nfs/dbraw/zinc/58/74/19/1168587419.db2.gz	PYHMTAUAGQYDLS-KGLIPLIRSA-N	-1	0	315.329	0.813	20	30		DCEDRM
N#Cc1cccc(-n2ccc(C(=O)NCCOCC(=O)[O-])n2)c1	ZINC001601114439	1168587689	/nfs/dbraw/zinc/58/76/89/1168587689.db2.gz	ADTMFLDPWXQMLQ-UHFFFAOYSA-N	-1	0	314.301	0.575	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1	ZINC001601121822	1168588015	/nfs/dbraw/zinc/58/80/15/1168588015.db2.gz	YWARTGZMRHLKBN-NWDGAFQWSA-N	-1	0	310.331	0.157	20	30		DCEDRM
N#Cc1cncc(N(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])C2CC2)n1	ZINC001601130214	1168590857	/nfs/dbraw/zinc/59/08/57/1168590857.db2.gz	BGYGBBNHFZXRMX-NWDGAFQWSA-N	-1	0	315.333	0.154	20	30		DCEDRM
N#Cc1cncc(CNC(=O)CCc2ocnc2C(=O)[O-])c1	ZINC001601130364	1168590863	/nfs/dbraw/zinc/59/08/63/1168590863.db2.gz	DFXAIVXTORTJAY-UHFFFAOYSA-N	-1	0	300.274	0.888	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1N	ZINC001601131508	1168591007	/nfs/dbraw/zinc/59/10/07/1168591007.db2.gz	CSSGYLKBKNTEQL-NXEZZACHSA-N	-1	0	306.322	0.771	20	30		DCEDRM
N#Cc1cnc(N(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C2CC2)cn1	ZINC001601131045	1168591190	/nfs/dbraw/zinc/59/11/90/1168591190.db2.gz	YTRRDGAVHSJGOV-NEPJUHHUSA-N	-1	0	315.333	0.154	20	30		DCEDRM
N#Cc1cnccc1NC1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001601131949	1168593237	/nfs/dbraw/zinc/59/32/37/1168593237.db2.gz	YOEIHSONHYVART-QWHCGFSZSA-N	-1	0	314.345	0.499	20	30		DCEDRM
N#Cc1cnccc1N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001601131811	1168593410	/nfs/dbraw/zinc/59/34/10/1168593410.db2.gz	RXLHUWISSZYDJU-WHOHXGKFSA-N	-1	0	300.318	0.155	20	30		DCEDRM
O=C(C#CC1CC1)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001601223703	1168666010	/nfs/dbraw/zinc/66/60/10/1168666010.db2.gz	JZYFRFJWHNESMY-NWDGAFQWSA-N	-1	0	304.346	0.276	20	30		DCEDRM
O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1cccc(C#CCO)c1	ZINC001601408520	1168735320	/nfs/dbraw/zinc/73/53/20/1168735320.db2.gz	IBOJWEBHOZKILD-CABCVRRESA-N	-1	0	317.341	0.783	20	30		DCEDRM
C#CCC(C)(C)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001602681412	1169156902	/nfs/dbraw/zinc/15/69/02/1169156902.db2.gz	LSPUNHFPYASKQJ-INIZCTEOSA-N	-1	0	308.378	0.424	20	30		DCEDRM
C#C[C@H](NC(=O)Nc1nc2n(c1C(=O)[O-])CCC2)[C@H]1CCCO1	ZINC001602674876	1169157051	/nfs/dbraw/zinc/15/70/51/1169157051.db2.gz	XBJUGPRJGYKVBY-VHSXEESVSA-N	-1	0	318.333	0.830	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)[C@H]1CCCO1	ZINC001602679596	1169157381	/nfs/dbraw/zinc/15/73/81/1169157381.db2.gz	YZZFPICELIPWFE-RKDXNWHRSA-N	-1	0	315.372	0.905	20	30		DCEDRM
C#C[C@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)C1CCOCC1	ZINC001602674446	1169157472	/nfs/dbraw/zinc/15/74/72/1169157472.db2.gz	PTCSLKSHZGZPFO-ZDUSSCGKSA-N	-1	0	318.329	0.091	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1)C(=O)[O-]	ZINC001602685138	1169158427	/nfs/dbraw/zinc/15/84/27/1169158427.db2.gz	NJOWTJZTDLUOSX-WCBMZHEXSA-N	-1	0	310.306	0.066	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C(=O)[O-]	ZINC001602698708	1169163728	/nfs/dbraw/zinc/16/37/28/1169163728.db2.gz	SCVKZOQBBTWJFN-DCXZOGHSSA-N	-1	0	310.397	0.194	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	ZINC001602698640	1169163844	/nfs/dbraw/zinc/16/38/44/1169163844.db2.gz	OPMUFWAYBOMJLG-GFCCVEGCSA-N	-1	0	303.380	0.589	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)[O-]	ZINC001602698684	1169164519	/nfs/dbraw/zinc/16/45/19/1169164519.db2.gz	QZORGNBEJWVILV-LBPRGKRZSA-N	-1	0	320.326	0.283	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cnc(Cl)c(OC)c1)C(=O)[O-]	ZINC001602698339	1169164591	/nfs/dbraw/zinc/16/45/91/1169164591.db2.gz	CLBOCUFIRYPLRH-QMMMGPOBSA-N	-1	0	318.738	0.498	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001602701298	1169165635	/nfs/dbraw/zinc/16/56/35/1169165635.db2.gz	FAWJJDGZQOANEE-GFCCVEGCSA-N	-1	0	302.334	0.673	20	30		DCEDRM
C#CCN1CCN(C(=O)CN([C@H](C)C(=O)[O-])C2CCC2)CC1	ZINC001602720548	1169170712	/nfs/dbraw/zinc/17/07/12/1169170712.db2.gz	XXHUYOJKAKSVPW-CYBMUJFWSA-N	-1	0	307.394	0.091	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)Nc2cccc(C(=O)[O-])n2)C1	ZINC001602721128	1169173439	/nfs/dbraw/zinc/17/34/39/1169173439.db2.gz	WZPRQKHBRVYTBH-LLVKDONJSA-N	-1	0	302.334	0.999	20	30		DCEDRM
C#CCSCCn1c(C)nnc1N1C[C@@H](CC(=O)[O-])[C@H](O)C1	ZINC001602738051	1169175931	/nfs/dbraw/zinc/17/59/31/1169175931.db2.gz	GWZITSSVOGDKPW-VXGBXAGGSA-N	-1	0	324.406	0.225	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)CC1	ZINC001602738329	1169176292	/nfs/dbraw/zinc/17/62/92/1169176292.db2.gz	UWKZJPLEBCWGDS-ZDEQEGDKSA-N	-1	0	322.361	0.694	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1	ZINC001602742110	1169176454	/nfs/dbraw/zinc/17/64/54/1169176454.db2.gz	DTTCXTCDLOEDCU-QWHCGFSZSA-N	-1	0	316.313	0.043	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC001602757316	1169178778	/nfs/dbraw/zinc/17/87/78/1169178778.db2.gz	LCBCDFLFBZCNFY-JTQLQIEISA-N	-1	0	313.379	0.917	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1coc(CS(C)(=O)=O)n1)C(=O)[O-]	ZINC001602754940	1169178964	/nfs/dbraw/zinc/17/89/64/1169178964.db2.gz	AWDOGCRGIYXFLG-QMMMGPOBSA-N	-1	0	316.335	0.368	20	30		DCEDRM
C=C(C)CN(CC)C(=O)Cn1cc(-c2nnn[n-]2)ccc1=O	ZINC001602758131	1169179349	/nfs/dbraw/zinc/17/93/49/1169179349.db2.gz	BCEVPNVKSQOLFC-UHFFFAOYSA-N	-1	0	302.338	0.453	20	30		DCEDRM
C=C(C)CN(C)C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001602760664	1169181397	/nfs/dbraw/zinc/18/13/97/1169181397.db2.gz	CWKAMLACJPBHSQ-UHFFFAOYSA-N	-1	0	308.338	0.676	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@]2(CC(C(=O)OC)=NO2)C1	ZINC001602776248	1169183081	/nfs/dbraw/zinc/18/30/81/1169183081.db2.gz	OUKNPKHCKSINCP-AWEZNQCLSA-N	-1	0	310.306	0.328	20	30		DCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001602791571	1169184234	/nfs/dbraw/zinc/18/42/34/1169184234.db2.gz	VPGKUHFWNGYFEY-AOOOYVTPSA-N	-1	0	318.333	0.766	20	30		DCEDRM
C=C[C@@H](C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])c1ccccc1	ZINC001602801305	1169184479	/nfs/dbraw/zinc/18/44/79/1169184479.db2.gz	QBNNCLOBWJKFFT-OLZOCXBDSA-N	-1	0	302.330	0.758	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@H](C)N(C)c1ncc(C(=O)[O-])cn1	ZINC001602809457	1169186225	/nfs/dbraw/zinc/18/62/25/1169186225.db2.gz	GQMXVWCGXANKRR-ZUZCIYMTSA-N	-1	0	322.365	0.443	20	30		DCEDRM
C=C[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-]	ZINC001602820290	1169187956	/nfs/dbraw/zinc/18/79/56/1169187956.db2.gz	GKZPEQMPDGMWOM-JQWIXIFHSA-N	-1	0	304.302	0.613	20	30		DCEDRM
C=C[C@@H](OC(=O)Cc1cccc(OCC(=O)NC)c1)C(=O)[O-]	ZINC001602827661	1169189579	/nfs/dbraw/zinc/18/95/79/1169189579.db2.gz	OZYQEKYIRKUTMK-GFCCVEGCSA-N	-1	0	307.302	0.536	20	30		DCEDRM
C=CCCC[C@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001602834387	1169189972	/nfs/dbraw/zinc/18/99/72/1169189972.db2.gz	RNSMAADKWHUXOW-UWVGGRQHSA-N	-1	0	304.358	0.880	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC001602842353	1169192344	/nfs/dbraw/zinc/19/23/44/1169192344.db2.gz	HDUDEZQOOHJDLP-SNVBAGLBSA-N	-1	0	306.318	0.685	20	30		DCEDRM
C=CCN(CCOC)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001602852109	1169192912	/nfs/dbraw/zinc/19/29/12/1169192912.db2.gz	IABLYSXHKUGPEF-UHFFFAOYSA-N	-1	0	313.339	0.283	20	30		DCEDRM
C=CCN1CC[C@@H](OC(=O)c2ccc(-c3nn[nH]n3)cn2)C1=O	ZINC001602862538	1169194415	/nfs/dbraw/zinc/19/44/15/1169194415.db2.gz	JNWBJRSDKQDWSB-LLVKDONJSA-N	-1	0	314.305	0.205	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H](CO)NC(=O)C(C)C)C(=O)[O-]	ZINC001602865476	1169197118	/nfs/dbraw/zinc/19/71/18/1169197118.db2.gz	KXZHQGCUVAZLEV-QWRGUYRKSA-N	-1	0	300.355	0.045	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001602880061	1169198278	/nfs/dbraw/zinc/19/82/78/1169198278.db2.gz	BFPULADSMMMQBX-QWRGUYRKSA-N	-1	0	319.379	0.621	20	30		DCEDRM
C=CCCn1cc(COC(=O)c2cnc(C(=O)[O-])cn2)nn1	ZINC001602884690	1169198751	/nfs/dbraw/zinc/19/87/51/1169198751.db2.gz	OCKHYONCWYGONX-UHFFFAOYSA-N	-1	0	303.278	0.699	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C)nc2n[nH]c(C)c21)C(=O)[O-]	ZINC001602908989	1169203246	/nfs/dbraw/zinc/20/32/46/1169203246.db2.gz	KDLWWVIAXXQRSG-LLVKDONJSA-N	-1	0	318.333	0.960	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1csc(C(=O)OC)n1)C(=O)[O-]	ZINC001602913420	1169204618	/nfs/dbraw/zinc/20/46/18/1169204618.db2.gz	PUKZHTLQHYXLKZ-ZETCQYMHSA-N	-1	0	314.319	0.315	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001602924692	1169209051	/nfs/dbraw/zinc/20/90/51/1169209051.db2.gz	AYFLPRZRDDGEQN-GHMZBOCLSA-N	-1	0	306.318	0.554	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1	ZINC001602942238	1169214539	/nfs/dbraw/zinc/21/45/39/1169214539.db2.gz	WXGAOVPQDVMDPD-ZANVPECISA-N	-1	0	320.349	0.808	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001602947095	1169219115	/nfs/dbraw/zinc/21/91/15/1169219115.db2.gz	LZMHRBUUOUUHII-UHFFFAOYSA-N	-1	0	304.302	0.814	20	30		DCEDRM
C[C@H](C#N)C(=O)NC/C=C/CNc1ncccc1-c1nn[nH]n1	ZINC001602983626	1169223284	/nfs/dbraw/zinc/22/32/84/1169223284.db2.gz	KXVSSOBTYSCKFU-VMZHVLLKSA-N	-1	0	312.337	0.506	20	30		DCEDRM
CC(=NN[C@H]1CCCS(=O)(=O)C1)c1cncc(C(=O)[O-])c1	ZINC001602990742	1169226897	/nfs/dbraw/zinc/22/68/97/1169226897.db2.gz	DXCVHYOKMIWCDY-LBPRGKRZSA-N	-1	0	311.363	0.671	20	30		DCEDRM
CC(=O)N1CC[C@](C)(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001603016861	1169233092	/nfs/dbraw/zinc/23/30/92/1169233092.db2.gz	PFLFDPAJVWBWRV-AWEZNQCLSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@H](N(C)c2ccnc(C(=O)[O-])n2)C1	ZINC001603129523	1169250412	/nfs/dbraw/zinc/25/04/12/1169250412.db2.gz	JQIBFJOOULZTMQ-UWVGGRQHSA-N	-1	0	303.322	0.372	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001603129514	1169250838	/nfs/dbraw/zinc/25/08/38/1169250838.db2.gz	JJMXXYGPCHQGRL-GMTAPVOTSA-N	-1	0	303.384	0.365	20	30		DCEDRM
CC(C)(C(=O)[O-])n1cc(NC(=O)N2CC[C@@](O)(CC#N)C2)cn1	ZINC001603283285	1169287491	/nfs/dbraw/zinc/28/74/91/1169287491.db2.gz	LDYQZLXLGRFYNL-AWEZNQCLSA-N	-1	0	321.337	0.585	20	30		DCEDRM
CC(C)(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001603302865	1169291136	/nfs/dbraw/zinc/29/11/36/1169291136.db2.gz	NLGURGPUXWJDEN-MEBBXXQBSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CC(C)(CNC(=O)C(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC001603619384	1169333568	/nfs/dbraw/zinc/33/35/68/1169333568.db2.gz	OGHGBAOTRYQMTO-UHFFFAOYSA-N	-1	0	319.317	0.754	20	30		DCEDRM
CC[C@H](C#N)N(CC)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001603977605	1169460941	/nfs/dbraw/zinc/46/09/41/1169460941.db2.gz	DBLSONZBCIYIRD-DTWKUNHWSA-N	-1	0	303.330	0.170	20	30		DCEDRM
C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)C#CC(C)(C)C	ZINC001604142758	1169504806	/nfs/dbraw/zinc/50/48/06/1169504806.db2.gz	WYDLNWSVXPTODS-NSHDSACASA-N	-1	0	318.377	0.953	20	30		DCEDRM
C[C@](Cn1cccn1)(NC(=O)C#Cc1cccs1)C(=O)[O-]	ZINC001604243317	1169531388	/nfs/dbraw/zinc/53/13/88/1169531388.db2.gz	QDHAEBLSUYAYMC-CQSZACIVSA-N	-1	0	303.343	0.956	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1	ZINC001604489621	1169603189	/nfs/dbraw/zinc/60/31/89/1169603189.db2.gz	IQTFBAVJNLMCBM-UONOGXRCSA-N	-1	0	311.313	0.164	20	30		DCEDRM
C[C@@H]1[C@@H](Nc2ccnc(C(=O)[O-])n2)CCN1C(=O)C#CC1CC1	ZINC001604647330	1169641280	/nfs/dbraw/zinc/64/12/80/1169641280.db2.gz	XCBUJXKIESAWLT-PWSUYJOCSA-N	-1	0	314.345	0.411	20	30		DCEDRM
CO[C@@H]1C[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C12CCC2	ZINC001605025707	1169784112	/nfs/dbraw/zinc/78/41/12/1169784112.db2.gz	ZSYACEPFOSJRCC-VHSXEESVSA-N	-1	0	312.337	0.898	20	30		DCEDRM
CC[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)C(=O)[O-]	ZINC001605098228	1169821888	/nfs/dbraw/zinc/82/18/88/1169821888.db2.gz	CIQWDSYGGBVPDW-LLVKDONJSA-N	-1	0	300.311	0.980	20	30		DCEDRM
CCCCCCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001605267260	1169883188	/nfs/dbraw/zinc/88/31/88/1169883188.db2.gz	IDCCSEYHGYAHRV-LBPRGKRZSA-N	-1	0	314.382	0.775	20	30		DCEDRM
CSc1[nH]c(=O)c(C(=O)N2CC(C#N)C2)cc1-c1nnn[n-]1	ZINC001605380980	1169908409	/nfs/dbraw/zinc/90/84/09/1169908409.db2.gz	QSTRWBLSGOJIIY-UHFFFAOYSA-N	-1	0	317.334	0.285	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC001605438579	1169920228	/nfs/dbraw/zinc/92/02/28/1169920228.db2.gz	ADRUNIJNOLQEKX-NSHDSACASA-N	-1	0	303.384	0.796	20	30		DCEDRM
CN(C(=O)CN1CCOC[C@@H]1CC(=O)[O-])C1(C#N)CCCCC1	ZINC001605961734	1170037176	/nfs/dbraw/zinc/03/71/76/1170037176.db2.gz	BAXUMRFHRWFPFB-ZDUSSCGKSA-N	-1	0	323.393	0.847	20	30		DCEDRM
CN(C)c1cc(C(=O)[O-])ccc1NC(=O)C(=O)NCCCC#N	ZINC001606046064	1170064221	/nfs/dbraw/zinc/06/42/21/1170064221.db2.gz	CVIPWOUTCCIHSL-UHFFFAOYSA-N	-1	0	318.333	0.809	20	30		DCEDRM
CNC(=O)Cn1cc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cn1	ZINC001606277063	1170145811	/nfs/dbraw/zinc/14/58/11/1170145811.db2.gz	AOBOKHDEOJOZQC-AWEZNQCLSA-N	-1	0	313.317	0.739	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001606343208	1170163438	/nfs/dbraw/zinc/16/34/38/1170163438.db2.gz	IPUJZXYVESEDNY-MJBXVCDLSA-N	-1	0	318.329	0.540	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001606343209	1170164020	/nfs/dbraw/zinc/16/40/20/1170164020.db2.gz	IPUJZXYVESEDNY-RDBSUJKOSA-N	-1	0	318.329	0.540	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC001606344046	1170164244	/nfs/dbraw/zinc/16/42/44/1170164244.db2.gz	WLXFRIRIEYWSBI-BXUZGUMPSA-N	-1	0	316.296	0.364	20	30		DCEDRM
N#Cc1nc(NC(=O)C=Cc2cncc(O)c2)[n-]c1-c1nn[nH]n1	ZINC001606354457	1170168018	/nfs/dbraw/zinc/16/80/18/1170168018.db2.gz	IFICFWIOXDQUDE-OWOJBTEDSA-N	-1	0	323.276	0.214	20	30		DCEDRM
N#Cc1ncn(CCC[N-]C(=O)C(F)(F)F)c1-c1nn[nH]n1	ZINC001606398448	1170185142	/nfs/dbraw/zinc/18/51/42/1170185142.db2.gz	CWRYACZXJXARAO-UHFFFAOYSA-N	-1	0	314.231	0.003	20	30		DCEDRM
N#Cc1ncccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001606398480	1170185428	/nfs/dbraw/zinc/18/54/28/1170185428.db2.gz	FSISNAAUEVNXBU-UHFFFAOYSA-N	-1	0	318.274	0.494	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC001606453879	1170208755	/nfs/dbraw/zinc/20/87/55/1170208755.db2.gz	LVVFPTPJGWYOGM-IHWYPQMZSA-N	-1	0	306.274	0.906	20	30		DCEDRM
COC(=O)CN(CC#N)S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001606464235	1170214312	/nfs/dbraw/zinc/21/43/12/1170214312.db2.gz	RZVDILCSUVOHLT-UHFFFAOYSA-N	-1	0	312.303	0.072	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C#N)ccc2C)C1	ZINC001606706342	1170269737	/nfs/dbraw/zinc/26/97/37/1170269737.db2.gz	LSEWGKQWOWNGGG-AWEZNQCLSA-N	-1	0	324.358	0.731	20	30		DCEDRM
COCC[C@](C)(C#N)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001606851372	1170314734	/nfs/dbraw/zinc/31/47/34/1170314734.db2.gz	WEQMGECFNDXGRZ-CYBMUJFWSA-N	-1	0	312.347	0.982	20	30		DCEDRM
CON(C)C(=O)C1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001606990360	1170348987	/nfs/dbraw/zinc/34/89/87/1170348987.db2.gz	WXTTVVRRXKPGOD-UHFFFAOYSA-N	-1	0	318.333	0.888	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2ccccc2OCC#N)C[C@@H](C(=O)[O-])O1	ZINC001607435849	1170452719	/nfs/dbraw/zinc/45/27/19/1170452719.db2.gz	GRPFFKSFWIJKBZ-MFKMUULPSA-N	-1	0	304.302	0.903	20	30		DCEDRM
Cc1c(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cnn1CCC#N	ZINC001607504035	1170469586	/nfs/dbraw/zinc/46/95/86/1170469586.db2.gz	GQNAMRXDFCWPHQ-UHFFFAOYSA-N	-1	0	315.333	0.936	20	30		DCEDRM
Cc1c(Cl)c(/C=C/C(=O)c2cn(CC(=O)[O-])nn2)nn1C	ZINC001607531550	1170474327	/nfs/dbraw/zinc/47/43/27/1170474327.db2.gz	LXXYFYYYEJPOPA-ONEGZZNKSA-N	-1	0	309.713	0.954	20	30		DCEDRM
Cc1cc(CNS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])[nH]n1	ZINC001607649401	1170490238	/nfs/dbraw/zinc/49/02/38/1170490238.db2.gz	BHWXDQWPPHVEOL-UHFFFAOYSA-N	-1	0	320.330	0.767	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c(Cl)n1	ZINC001607818578	1170510046	/nfs/dbraw/zinc/51/00/46/1170510046.db2.gz	RXEXFOAJURJPDD-UHFFFAOYSA-N	-1	0	303.727	0.642	20	30		DCEDRM
Cc1ncc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1C(=O)[O-]	ZINC001607982675	1170538580	/nfs/dbraw/zinc/53/85/80/1170538580.db2.gz	GHGFWCUAXRTWJL-QMMMGPOBSA-N	-1	0	300.278	0.751	20	30		DCEDRM
N#CC1(CC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CCOCC1	ZINC001608176151	1170609497	/nfs/dbraw/zinc/60/94/97/1170609497.db2.gz	PXAPQZQZTKWLJV-OAHLLOKOSA-N	-1	0	321.333	0.529	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)NCCc2cccc(C(=O)[O-])c2)C1	ZINC001608181156	1170610103	/nfs/dbraw/zinc/61/01/03/1170610103.db2.gz	HKFJBPGFQVSUBA-MRXNPFEDSA-N	-1	0	317.345	0.987	20	30		DCEDRM
N#C[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1	ZINC001608178388	1170610232	/nfs/dbraw/zinc/61/02/32/1170610232.db2.gz	JYYKGRZLHYEWCE-VEGXAWMVSA-N	-1	0	319.361	0.364	20	30		DCEDRM
N#CC1(NC(=O)COC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CCC1	ZINC001608177194	1170610435	/nfs/dbraw/zinc/61/04/35/1170610435.db2.gz	NNDWBBBOKDHVIN-QWRGUYRKSA-N	-1	0	308.334	0.983	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001608180116	1170610922	/nfs/dbraw/zinc/61/09/22/1170610922.db2.gz	USRDHEBZONNBNJ-LURJTMIESA-N	-1	0	320.710	0.544	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CCN1C1CC1	ZINC001608178848	1170610928	/nfs/dbraw/zinc/61/09/28/1170610928.db2.gz	CNXLTJJQDSHDAH-DGCLKSJQSA-N	-1	0	304.350	0.542	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)Cc1cc(C(=O)[O-])no1	ZINC001608183270	1170611256	/nfs/dbraw/zinc/61/12/56/1170611256.db2.gz	XCGYQPOUAOOELN-UHFFFAOYSA-N	-1	0	308.338	0.421	20	30		DCEDRM
N#CCCn1ccc(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n1	ZINC001608183846	1170611627	/nfs/dbraw/zinc/61/16/27/1170611627.db2.gz	QEZGYIARQRYVEU-MWLCHTKSSA-N	-1	0	307.310	0.408	20	30		DCEDRM
N#CCCN(Cc1cccnc1)C(=O)Cn1ccc(C(=O)[O-])n1	ZINC001608184105	1170611992	/nfs/dbraw/zinc/61/19/92/1170611992.db2.gz	LGWLCQXZFNRREA-UHFFFAOYSA-N	-1	0	313.317	0.919	20	30		DCEDRM
N#CCN1CCC(NC(=O)Nc2ccc(C(=O)[O-])cn2)CC1	ZINC001608188123	1170612501	/nfs/dbraw/zinc/61/25/01/1170612501.db2.gz	NUXUSYBZPBMVQQ-UHFFFAOYSA-N	-1	0	303.322	0.889	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1	ZINC001608188980	1170612871	/nfs/dbraw/zinc/61/28/71/1170612871.db2.gz	SQYSDFBXNTYRNZ-CHWSQXEVSA-N	-1	0	318.329	0.425	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001608194601	1170613533	/nfs/dbraw/zinc/61/35/33/1170613533.db2.gz	SIXXPLJTLJALJY-GFCCVEGCSA-N	-1	0	320.276	0.930	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@H](C(=O)[O-])c2ccccn2)cc1	ZINC001608202173	1170615010	/nfs/dbraw/zinc/61/50/10/1170615010.db2.gz	MFKZYRNJTQNYPB-UONOGXRCSA-N	-1	0	311.297	0.929	20	30		DCEDRM
N#Cc1ccc(F)c(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)c1	ZINC001608206759	1170615330	/nfs/dbraw/zinc/61/53/30/1170615330.db2.gz	MHYAPJWADDKSOM-JGZJWPJOSA-N	-1	0	312.322	0.980	20	30		DCEDRM
N#Cc1ccc(SCC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC001608213585	1170617492	/nfs/dbraw/zinc/61/74/92/1170617492.db2.gz	SMSSOUAJSGMERP-ZYHUDNBSSA-N	-1	0	306.343	0.697	20	30		DCEDRM
N#Cc1cccc(CN2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)c1	ZINC001608217650	1170617529	/nfs/dbraw/zinc/61/75/29/1170617529.db2.gz	NAQVITJALMPPAE-GJZGRUSLSA-N	-1	0	313.357	0.923	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCC[C@@H](N2CCNC2=O)C1	ZINC001608223600	1170619799	/nfs/dbraw/zinc/61/97/99/1170619799.db2.gz	GEIBJQGKCLDXIA-SNVBAGLBSA-N	-1	0	315.333	0.645	20	30		DCEDRM
O=C([O-])C1CC2(C1)C[C@@H](NC(=O)NCC#CCO)CCS2	ZINC001608415443	1170673823	/nfs/dbraw/zinc/67/38/23/1170673823.db2.gz	IJCSVGVVGPMHCF-CVZZAPKMSA-N	-1	0	312.391	0.410	20	30		DCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1	ZINC001609019468	1170785641	/nfs/dbraw/zinc/78/56/41/1170785641.db2.gz	UVJAHDYWHZMZRW-QMMMGPOBSA-N	-1	0	309.326	0.648	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)C(=O)[O-]	ZINC001609076207	1170800914	/nfs/dbraw/zinc/80/09/14/1170800914.db2.gz	FNVCBTPOWORCDL-HTQZYQBOSA-N	-1	0	306.240	0.132	20	30		DCEDRM
C#CC[C@@H](NC(=O)CNC(=O)c1cc(Cl)ccn1)C(=O)[O-]	ZINC001609079034	1170801558	/nfs/dbraw/zinc/80/15/58/1170801558.db2.gz	UMOUZQKPRYZEIZ-SECBINFHSA-N	-1	0	309.709	0.058	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cn(-c2cccc(OC)c2)nn1)C(=O)[O-]	ZINC001609089540	1170804037	/nfs/dbraw/zinc/80/40/37/1170804037.db2.gz	OYROAXATPJAWJZ-LBPRGKRZSA-N	-1	0	314.301	0.482	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC001609162210	1170834676	/nfs/dbraw/zinc/83/46/76/1170834676.db2.gz	MWYHGPRQMUFHPZ-LBPRGKRZSA-N	-1	0	324.377	0.102	20	30		DCEDRM
C=C(CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccccc1	ZINC001609259432	1170901147	/nfs/dbraw/zinc/90/11/47/1170901147.db2.gz	QCEJFUJBPXQWNT-UHFFFAOYSA-N	-1	0	321.358	0.959	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001609290390	1170913941	/nfs/dbraw/zinc/91/39/41/1170913941.db2.gz	FNJGLPNNPJZHQU-LLVKDONJSA-N	-1	0	322.317	0.142	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C(=O)OC)cc1)C(=O)[O-]	ZINC001609443211	1170978595	/nfs/dbraw/zinc/97/85/95/1170978595.db2.gz	VDPJJCLUYLMBQK-GFCCVEGCSA-N	-1	0	307.302	0.859	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CCCOCC2)[n-]c1-c1nn[nH]n1	ZINC001609496404	1170998055	/nfs/dbraw/zinc/99/80/55/1170998055.db2.gz	JUANHWWBWZBXAF-ZETCQYMHSA-N	-1	0	302.298	0.217	20	30		DCEDRM
N#Cc1nc(NC(=O)COc2ccccc2)[n-]c1-c1nn[nH]n1	ZINC001609496626	1170998374	/nfs/dbraw/zinc/99/83/74/1170998374.db2.gz	YNSGKUWUNNBQFA-UHFFFAOYSA-N	-1	0	310.277	0.479	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1ccc2c(c1)OCCO2	ZINC001609496740	1170999276	/nfs/dbraw/zinc/99/92/76/1170999276.db2.gz	FOWPUXVNBMXBQL-UHFFFAOYSA-N	-1	0	309.289	0.754	20	30		DCEDRM
CC(=NNc1cn[nH]c(=O)c1Cl)c1cn(CC(=O)[O-])nn1	ZINC001609556875	1171021720	/nfs/dbraw/zinc/02/17/20/1171021720.db2.gz	PBUJQFAUFOJOJR-UHFFFAOYSA-N	-1	0	311.689	0.348	20	30		DCEDRM
C[C@@H](C(=O)Nc1cccc(CC(=O)[O-])n1)n1cnc(C#N)n1	ZINC001609637846	1171058050	/nfs/dbraw/zinc/05/80/50/1171058050.db2.gz	PGANYGACVWECAV-QMMMGPOBSA-N	-1	0	300.278	0.372	20	30		DCEDRM
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC001609687261	1171066841	/nfs/dbraw/zinc/06/68/41/1171066841.db2.gz	CJTPYHHLWAWUHJ-XJKSGUPXSA-N	-1	0	320.345	0.913	20	30		DCEDRM
C[C@@H](NC(=O)N1CC[C@](O)(CC#N)C1)c1ncc(C(=O)[O-])s1	ZINC001609762383	1171080198	/nfs/dbraw/zinc/08/01/98/1171080198.db2.gz	KKZMXSIFJFUMJO-AMIZOPFISA-N	-1	0	324.362	0.962	20	30		DCEDRM
CCc1ccccc1-n1cc(C(=O)N(CC#N)CC(=O)[O-])nn1	ZINC001610068104	1171148091	/nfs/dbraw/zinc/14/80/91/1171148091.db2.gz	VRJFXRDHJQAUMQ-UHFFFAOYSA-N	-1	0	313.317	0.880	20	30		DCEDRM
COC(=O)CC[C@@H](NC(=O)Cc1ccccc1CC#N)C(=O)[O-]	ZINC001610183444	1171190809	/nfs/dbraw/zinc/19/08/09/1171190809.db2.gz	ZCZTZMHTPOIJFP-CYBMUJFWSA-N	-1	0	318.329	0.818	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)N(C)CC#N)c(C(=O)[O-])s1	ZINC001610203884	1171197069	/nfs/dbraw/zinc/19/70/69/1171197069.db2.gz	JYRGPPKANXSARW-UHFFFAOYSA-N	-1	0	318.332	0.377	20	30		DCEDRM
COC(=O)c1cccc(Cn2nc(C(=O)[O-])ccc2=O)c1C#N	ZINC001610215128	1171198555	/nfs/dbraw/zinc/19/85/55/1171198555.db2.gz	QKBVJOFVSXZZHK-UHFFFAOYSA-N	-1	0	313.269	0.648	20	30		DCEDRM
COc1cc(NC(=O)C(=O)N[C@H](C)CC#N)ccc1C(=O)[O-]	ZINC001610299917	1171217207	/nfs/dbraw/zinc/21/72/07/1171217207.db2.gz	NNZARFBZLCMLRB-MRVPVSSYSA-N	-1	0	305.290	0.750	20	30		DCEDRM
CSC[C@@](C)(C#N)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001610381633	1171228072	/nfs/dbraw/zinc/22/80/72/1171228072.db2.gz	XUYYAWNMUKYMJV-LLVKDONJSA-N	-1	0	315.376	0.703	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](C)C(=O)C(=O)[O-]	ZINC001610570125	1171256467	/nfs/dbraw/zinc/25/64/67/1171256467.db2.gz	AZRJPQPONCPSSJ-LLVKDONJSA-N	-1	0	321.333	0.932	20	30		DCEDRM
Cn1ccc([C@H](NC(=O)CNc2ccc(C#N)cn2)C(=O)[O-])n1	ZINC001610607994	1171265888	/nfs/dbraw/zinc/26/58/88/1171265888.db2.gz	NVCYDUIAFHVTPL-ZDUSSCGKSA-N	-1	0	314.305	0.041	20	30		DCEDRM
Cn1ncc(CCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1	ZINC001610614675	1171269760	/nfs/dbraw/zinc/26/97/60/1171269760.db2.gz	WZKKAHKWMFTWFT-CQSZACIVSA-N	-1	0	314.301	0.988	20	30		DCEDRM
N#Cc1c(COC(=O)[C@@H]2CCNC(=O)C2)cccc1C(=O)[O-]	ZINC001610625163	1171271027	/nfs/dbraw/zinc/27/10/27/1171271027.db2.gz	OJKVDOXPPFBLPQ-SECBINFHSA-N	-1	0	302.286	0.826	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])c([N+](=O)[O-])c1	ZINC001610628462	1171272606	/nfs/dbraw/zinc/27/26/06/1171272606.db2.gz	FVCYUQLBPWKXNK-LLVKDONJSA-N	-1	0	318.289	0.636	20	30		DCEDRM
N#CCCCOc1cccnc1NC(=O)CCc1nnn[n-]1	ZINC001626520885	1171484632	/nfs/dbraw/zinc/48/46/32/1171484632.db2.gz	LHNVTMJZSSYBAP-UHFFFAOYSA-N	-1	0	301.310	0.849	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC001635342160	1171699707	/nfs/dbraw/zinc/69/97/07/1171699707.db2.gz	CDWSQYIJHYHUPB-SECBINFHSA-N	-1	0	304.306	0.493	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cccc([N+](=O)[O-])c2)c(C#N)c1=O	ZINC001639488821	1171840238	/nfs/dbraw/zinc/84/02/38/1171840238.db2.gz	FCHMOIIXNUIHEP-UHFFFAOYSA-N	-1	0	301.262	0.466	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC001639674047	1171846752	/nfs/dbraw/zinc/84/67/52/1171846752.db2.gz	LKUASWZXEQLMQQ-JTQLQIEISA-N	-1	0	309.347	0.459	20	30		DCEDRM
COC[C@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)c1nnn[n-]1	ZINC001644689122	1172014938	/nfs/dbraw/zinc/01/49/38/1172014938.db2.gz	MEHZJGJGJYGYPU-LBPRGKRZSA-N	-1	0	311.305	0.670	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@]2(O)CCO[C@H]2C)cc1C#N	ZINC001645741900	1172120881	/nfs/dbraw/zinc/12/08/81/1172120881.db2.gz	QPAPYYRXMFMKQG-RMLUDKJBSA-N	-1	0	323.374	0.650	20	30		DCEDRM
Cc1nn(C)cc1C(=O)N=C1NS(=O)(=O)c2ccccc21	ZINC001647089359	1172666899	/nfs/dbraw/zinc/66/68/99/1172666899.db2.gz	VISWIGFYSKTYOC-UHFFFAOYSA-N	-1	0	304.331	0.607	20	30		DCEDRM
CC1CC(C#N)(C(=O)N2CCC(C(=O)[O-])([S@](C)=O)CC2)C1	ZINC001647433849	1172890089	/nfs/dbraw/zinc/89/00/89/1172890089.db2.gz	AHOJEGLWWHESMY-GMJXJOIKSA-N	-1	0	312.391	0.751	20	30		DCEDRM
CN(CCN(C)c1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccc1	ZINC001650229790	1173525198	/nfs/dbraw/zinc/52/51/98/1173525198.db2.gz	YTCWHEXTZHOUDI-UHFFFAOYSA-N	-1	0	313.361	0.518	20	30		DCEDRM
Cn1c(CNc2[n-]c(=O)n(C)c(=O)c2C#N)nc2ccccc21	ZINC001650627765	1173729562	/nfs/dbraw/zinc/72/95/62/1173729562.db2.gz	RVIXHEFCBLKVKI-UHFFFAOYSA-N	-1	0	310.317	0.444	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2cnn(Cc3ccccc3)c2)c(C#N)c1=O	ZINC001650657592	1173730069	/nfs/dbraw/zinc/73/00/69/1173730069.db2.gz	YLZZDNZDBGZMCG-UHFFFAOYSA-N	-1	0	322.328	0.934	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2cccc([N+](=O)[O-])c2)c(C#N)c1=O	ZINC001650935011	1173737157	/nfs/dbraw/zinc/73/71/57/1173737157.db2.gz	VMLIQJAFXWWTCX-UHFFFAOYSA-N	-1	0	315.289	0.508	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC001655364283	1173818662	/nfs/dbraw/zinc/81/86/62/1173818662.db2.gz	FUSGYZSAKRKJLD-SFYZADRCSA-N	-1	0	318.376	0.552	20	30		DCEDRM
CC#CC[C@H](CO)[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC001655897811	1173830277	/nfs/dbraw/zinc/83/02/77/1173830277.db2.gz	YSLVZZCCKDHRBP-SECBINFHSA-N	-1	0	301.320	0.119	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1	ZINC001685649655	1176038749	/nfs/dbraw/zinc/03/87/49/1176038749.db2.gz	ODYNMNGRKXLEJK-RYUDHWBXSA-N	-1	0	321.381	0.387	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001690808852	1177329732	/nfs/dbraw/zinc/32/97/32/1177329732.db2.gz	XRDGOCIMETYLSP-LBPRGKRZSA-N	-1	0	305.382	0.593	20	30		DCEDRM
C[C@@](CNCC#N)(NC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CC1	ZINC001698651542	1177600488	/nfs/dbraw/zinc/60/04/88/1177600488.db2.gz	HNAHPMBNSJHOIB-HNNXBMFYSA-N	-1	0	315.333	0.940	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2C(=O)C#CC(C)C)c1[O-]	ZINC001702460270	1179203741	/nfs/dbraw/zinc/20/37/41/1179203741.db2.gz	TUTCSKRYXCOIFI-GFCCVEGCSA-N	-1	0	318.377	0.756	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](CNC(=O)C#CC2CC2)C2CC2)c1[O-]	ZINC001703837734	1179692554	/nfs/dbraw/zinc/69/25/54/1179692554.db2.gz	OOAZZAYHUXLLNN-LBPRGKRZSA-N	-1	0	316.361	0.462	20	30		DCEDRM
C=C(C)CCC(=O)N[C@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001704144467	1179907465	/nfs/dbraw/zinc/90/74/65/1179907465.db2.gz	ZLKOSZMPKMVSEV-SECBINFHSA-N	-1	0	323.353	0.264	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@@H](CC)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001704665247	1180108077	/nfs/dbraw/zinc/10/80/77/1180108077.db2.gz	USIAWDLPJRFZKX-QMMMGPOBSA-N	-1	0	323.353	0.120	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001713506515	1180879058	/nfs/dbraw/zinc/87/90/58/1180879058.db2.gz	WVRYUKOYWYQOFY-NSHDSACASA-N	-1	0	305.382	0.640	20	30		DCEDRM
C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001714152173	1181265047	/nfs/dbraw/zinc/26/50/47/1181265047.db2.gz	UJGZVEIRLUXZLP-WCQYABFASA-N	-1	0	317.393	0.640	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)C1	ZINC001714617850	1181443451	/nfs/dbraw/zinc/44/34/51/1181443451.db2.gz	HTWVKMNIQGFAII-NSHDSACASA-N	-1	0	305.382	0.947	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H](C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001717983152	1183096997	/nfs/dbraw/zinc/09/69/97/1183096997.db2.gz	XKDVNYXTRSEENV-LBPRGKRZSA-N	-1	0	319.409	0.886	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C#CC(C)C)[C@H]2C)c1[O-]	ZINC001718661636	1183313091	/nfs/dbraw/zinc/31/30/91/1183313091.db2.gz	XNDBZTQFKLKTNW-NWDGAFQWSA-N	-1	0	318.377	0.802	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001720926741	1183770900	/nfs/dbraw/zinc/77/09/00/1183770900.db2.gz	OOIVGEZSOHAWPQ-RMLUDKJBSA-N	-1	0	323.353	0.120	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@](C)(NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001722197852	1184203444	/nfs/dbraw/zinc/20/34/44/1184203444.db2.gz	ATILIUSBAWQTSF-MRXNPFEDSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C=CCC(CC=C)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001732127423	1185686206	/nfs/dbraw/zinc/68/62/06/1185686206.db2.gz	LZRWHTZMQKWBOH-UHFFFAOYSA-N	-1	0	305.382	0.827	20	30		DCEDRM
N#CCNC[C@@H]1CCC[C@@H]1NC(=O)c1c[n-]n2c1nccc2=O	ZINC001732622080	1185877345	/nfs/dbraw/zinc/87/73/45/1185877345.db2.gz	HCDHMGPOHLDMFB-JQWIXIFHSA-N	-1	0	314.349	0.034	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)C(=O)[O-]	ZINC000274982249	1187189892	/nfs/dbraw/zinc/18/98/92/1187189892.db2.gz	JTACDPXGDVDGJO-MRVPVSSYSA-N	-1	0	322.264	0.855	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCCCCNC(=O)[C@H](C)C#N)c1[O-]	ZINC001736990707	1187206670	/nfs/dbraw/zinc/20/66/70/1187206670.db2.gz	FSGDRPHMGKVQGR-SNVBAGLBSA-N	-1	0	321.381	0.990	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001737722114	1187392354	/nfs/dbraw/zinc/39/23/54/1187392354.db2.gz	QNVNUUWIDNMPNC-NSHDSACASA-N	-1	0	324.381	0.593	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C#CC(C)C)[C@H]2C)c1[O-]	ZINC001738922964	1187699788	/nfs/dbraw/zinc/69/97/88/1187699788.db2.gz	FDVRZRDZFQFOCA-VXGBXAGGSA-N	-1	0	318.377	0.802	20	30		DCEDRM
C=CCOCC(=O)N1CCCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001743178124	1188104898	/nfs/dbraw/zinc/10/48/98/1188104898.db2.gz	FCWWPDOAXCAOIY-UHFFFAOYSA-N	-1	0	322.365	0.301	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCNC(=O)C2)n1	ZINC001771620829	1188358855	/nfs/dbraw/zinc/35/88/55/1188358855.db2.gz	AXCHLSXGLGIJQF-NXEZZACHSA-N	-1	0	321.358	0.697	20	30		DCEDRM
COCC#CCN1CCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001752817450	1188445554	/nfs/dbraw/zinc/44/55/54/1188445554.db2.gz	YNNXTPDVASLWJI-CYBMUJFWSA-N	-1	0	320.393	0.658	20	30		DCEDRM
C#Cc1ccc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cc1	ZINC001754167626	1188767199	/nfs/dbraw/zinc/76/71/99/1188767199.db2.gz	UCAOOVYCSMXTSA-ARJAWSKDSA-N	-1	0	311.345	0.567	20	30		DCEDRM
C#CCCCC(=O)NCC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001758859867	1190018574	/nfs/dbraw/zinc/01/85/74/1190018574.db2.gz	NNXTVWYYGDOTFU-SNVBAGLBSA-N	-1	0	306.366	0.852	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001758873186	1190022372	/nfs/dbraw/zinc/02/23/72/1190022372.db2.gz	KGKIMQISZVZZJO-MRVPVSSYSA-N	-1	0	323.353	0.120	20	30		DCEDRM
Cc1nc[nH]c(=O)c1CCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC001771827523	1190516645	/nfs/dbraw/zinc/51/66/45/1190516645.db2.gz	ONROHAYYYBEESI-ZDUSSCGKSA-N	-1	0	315.377	0.622	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CNc2nccnc2C#N)c1[O-]	ZINC001107688503	752222310	/nfs/dbraw/zinc/22/23/10/752222310.db2.gz	LBLHXMMMQOIQNQ-SSDOTTSWSA-N	-1	0	301.310	0.316	20	30		DCEDRM
C[C@H]1[C@H](Nc2cc(C3(C#N)CC3)ccn2)C(=O)N1S(=O)(=O)[O-]	ZINC001167859986	748443070	/nfs/dbraw/zinc/44/30/70/748443070.db2.gz	XSMSHDOSOQEEML-KWQFWETISA-N	-1	0	322.346	0.451	20	30		DCEDRM
N#CCc1nccnc1NC(=N)SCCS(=O)(=O)[O-]	ZINC001168087903	749364530	/nfs/dbraw/zinc/36/45/30/749364530.db2.gz	AFCCCKOGTKBDKY-UHFFFAOYSA-N	-1	0	301.353	0.510	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000697537967	749777836	/nfs/dbraw/zinc/77/78/36/749777836.db2.gz	FPZZCOAUZVHRMM-UHFFFAOYSA-N	-1	0	300.336	0.373	20	30		DCEDRM
C=CCC(CC=C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001112885532	761995521	/nfs/dbraw/zinc/99/55/21/761995521.db2.gz	CUUIHOKZUVJQRA-UHFFFAOYSA-N	-1	0	305.382	0.923	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)Nc2ccnc(C#N)n2)c1[O-]	ZINC001112990494	762074104	/nfs/dbraw/zinc/07/41/04/762074104.db2.gz	GOQQCHUZMPNDPV-SFYZADRCSA-N	-1	0	315.337	0.126	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)Nc2nccnc2C#N)c1[O-]	ZINC001112992144	762075141	/nfs/dbraw/zinc/07/51/41/762075141.db2.gz	WCWPOSSFHCTYQP-HTQZYQBOSA-N	-1	0	315.337	0.704	20	30		DCEDRM
C#CCCN1CC(N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001044181971	752613152	/nfs/dbraw/zinc/61/31/52/752613152.db2.gz	LZTNSZIYCCSMPF-UHFFFAOYSA-N	-1	0	300.318	0.708	20	30		DCEDRM
C#CCN1CCC(F)(F)[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001046927433	754023345	/nfs/dbraw/zinc/02/33/45/754023345.db2.gz	GKAURCRDDQEGKQ-JTQLQIEISA-N	-1	0	312.320	0.744	20	30		DCEDRM
C=CCCC(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1	ZINC001063788571	755264037	/nfs/dbraw/zinc/26/40/37/755264037.db2.gz	NZIXPWIAPWDJQI-UHFFFAOYSA-N	-1	0	321.337	0.018	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)N(C)c2cncc(C#N)n2)c1[O-]	ZINC001113553497	762377630	/nfs/dbraw/zinc/37/76/30/762377630.db2.gz	KSRNRMJVLQWRPV-QMMMGPOBSA-N	-1	0	315.337	0.340	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@]3(CCN(CC#N)C3)C2)c1[O-]	ZINC001054117352	756372324	/nfs/dbraw/zinc/37/23/24/756372324.db2.gz	LTNHLEHGKPJXJW-HNNXBMFYSA-N	-1	0	303.366	0.875	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)c1[O-]	ZINC001055775463	756913047	/nfs/dbraw/zinc/91/30/47/756913047.db2.gz	GLZVNIWVMRVFCU-UHFFFAOYSA-N	-1	0	313.321	0.048	20	30		DCEDRM
Cc1nc(N2CCC[C@@H](NC(=O)c3cn[nH]n3)C2)ccc1C#N	ZINC001058268248	759833568	/nfs/dbraw/zinc/83/35/68/759833568.db2.gz	DURANUYRVIGFOG-GFCCVEGCSA-N	-1	0	311.349	0.779	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C[C@@H]2C=CCCC2)c(=O)[n-]c1=O	ZINC001148392812	767970426	/nfs/dbraw/zinc/97/04/26/767970426.db2.gz	JROMKMCQJZEZLF-LLVKDONJSA-N	-1	0	302.334	0.683	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nc(OC)ncc1[N+](=O)[O-]	ZINC001169962421	760941474	/nfs/dbraw/zinc/94/14/74/760941474.db2.gz	MSGIRRWYMTTWNW-UHFFFAOYSA-N	-1	0	319.237	0.820	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C)c2nc(C)ccc2C#N)c1[O-]	ZINC001100014290	763218974	/nfs/dbraw/zinc/21/89/74/763218974.db2.gz	GDJJRARUODGDBT-UHFFFAOYSA-N	-1	0	314.349	0.865	20	30		DCEDRM
CCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1ccc(C#N)cn1	ZINC001100503327	763618171	/nfs/dbraw/zinc/61/81/71/763618171.db2.gz	WRTQEILODBUREV-UHFFFAOYSA-N	-1	0	314.349	0.947	20	30		DCEDRM
C[C@@H]1CC[C@H](NC(=O)CSCC#N)CN1Cc1n[nH]c(=O)[n-]1	ZINC001131831124	764067157	/nfs/dbraw/zinc/06/71/57/764067157.db2.gz	YKIBUTJMLRIOEL-ZJUUUORDSA-N	-1	0	324.410	0.236	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@H]2CCCSC2)c1	ZINC000813983891	765297574	/nfs/dbraw/zinc/29/75/74/765297574.db2.gz	GJVPRBLTFGJMBY-JTQLQIEISA-N	-1	0	311.388	0.901	20	30		DCEDRM
Cc1c(C=Nn2c(=O)[n-][nH]c2=O)c(=O)n(-c2ccccc2)n1C	ZINC001117697630	766129176	/nfs/dbraw/zinc/12/91/76/766129176.db2.gz	JDSFPBKACMJDLB-UHFFFAOYSA-N	-1	0	314.305	0.369	20	30		DCEDRM
CC1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1	ZINC001118241415	766263928	/nfs/dbraw/zinc/26/39/28/766263928.db2.gz	FFEGQJRPRFWZGA-UHFFFAOYSA-N	-1	0	319.321	0.058	20	30		DCEDRM
CCC/C(C)=C/C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001120745031	767180010	/nfs/dbraw/zinc/18/00/10/767180010.db2.gz	RMNGJFCGXAHFQL-BJMVGYQFSA-N	-1	0	302.334	0.950	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@H](CO)C(=O)[N-]Oc1cccc(C#N)c1	ZINC001171256777	767308702	/nfs/dbraw/zinc/30/87/02/767308702.db2.gz	ZKZDKIIOEXSROX-GFCCVEGCSA-N	-1	0	321.333	0.854	20	30		DCEDRM
C#CCN1CCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2C)CC1	ZINC001121303990	767504657	/nfs/dbraw/zinc/50/46/57/767504657.db2.gz	DLYJBLRMRWMJJT-UHFFFAOYSA-N	-1	0	323.360	0.210	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)nn1C	ZINC001122532911	767826766	/nfs/dbraw/zinc/82/67/66/767826766.db2.gz	HAIRRETWLCUBCY-NSHDSACASA-N	-1	0	304.350	0.773	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1	ZINC001149640529	768803753	/nfs/dbraw/zinc/80/37/53/768803753.db2.gz	RFRCCRGKXDGVAO-LBPRGKRZSA-N	-1	0	321.381	0.021	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCNc2ccc(C#N)nc2)c1[O-]	ZINC001094389752	769025388	/nfs/dbraw/zinc/02/53/88/769025388.db2.gz	QLTGGWIFKZUJDY-UHFFFAOYSA-N	-1	0	300.322	0.922	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1[nH]ccc(=O)c1C	ZINC001234176078	769574240	/nfs/dbraw/zinc/57/42/40/769574240.db2.gz	DATWVXHGUPFWQC-JTQLQIEISA-N	-1	0	303.336	0.933	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)c2cnn(C[C@H](O)CO)c2)c1	ZINC001152996431	769690657	/nfs/dbraw/zinc/69/06/57/769690657.db2.gz	ZRYNDWJBFDVEAJ-NSHDSACASA-N	-1	0	302.290	0.066	20	30		DCEDRM
CCN(C)C(=O)c1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001174321159	769751246	/nfs/dbraw/zinc/75/12/46/769751246.db2.gz	UPMKWRNUSQCDKL-UHFFFAOYSA-N	-1	0	304.310	0.992	20	30		DCEDRM
CCS(=O)(=O)c1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001174461373	769758803	/nfs/dbraw/zinc/75/88/03/769758803.db2.gz	MNVWJOXEYMEYER-UHFFFAOYSA-N	-1	0	311.323	0.693	20	30		DCEDRM
CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)C#CC(C)(C)C	ZINC001153260417	769766234	/nfs/dbraw/zinc/76/62/34/769766234.db2.gz	RTYMORYDIHNXQV-LLVKDONJSA-N	-1	0	307.398	0.886	20	30		DCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc(NC2=CC(=O)CCC2)nc1	ZINC001155709181	770595899	/nfs/dbraw/zinc/59/58/99/770595899.db2.gz	FIWPTCCQIJNRGN-UHFFFAOYSA-N	-1	0	309.347	0.955	20	30		DCEDRM
N=C(c1nonc1N)N(O)C(=O)[C@]12CC[C@H](O1)c1ccccc12	ZINC001182482158	771502637	/nfs/dbraw/zinc/50/26/37/771502637.db2.gz	JDEKTIDJEMINMZ-LKFCYVNXSA-N	-1	0	315.289	0.956	20	30		DCEDRM
COC(=O)[C@H]1CN(C)CCN1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244731	771763095	/nfs/dbraw/zinc/76/30/95/771763095.db2.gz	YBIXHHBSQCTYBB-CYBMUJFWSA-N	-1	0	305.354	0.352	20	30		DCEDRM
Cc1oncc1S(=O)(=O)[N-]c1nc(C#N)c(C#N)nc1Cl	ZINC001187338283	772169051	/nfs/dbraw/zinc/16/90/51/772169051.db2.gz	XHRMXVGCSLXJIT-UHFFFAOYSA-N	-1	0	324.709	0.971	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)c1ccccc1S(=O)(=O)[O-]	ZINC001189703351	772519275	/nfs/dbraw/zinc/51/92/75/772519275.db2.gz	HBHPFLQJFMDEDT-SECBINFHSA-N	-1	0	312.303	0.118	20	30		DCEDRM
N#Cc1nc(NCC[N-]C(=O)C(F)(F)F)ccc1[N+](=O)[O-]	ZINC001164236203	772629149	/nfs/dbraw/zinc/62/91/49/772629149.db2.gz	IIHAOPYDJKPRJU-UHFFFAOYSA-N	-1	0	303.200	0.952	20	30		DCEDRM
C=CCN1C(=O)CCC12CCN(S(=O)(=O)c1ncc[n-]1)CC2	ZINC001190697977	772658702	/nfs/dbraw/zinc/65/87/02/772658702.db2.gz	CTPXSOWMODGYJU-UHFFFAOYSA-N	-1	0	324.406	0.741	20	30		DCEDRM
CS(=O)(=O)c1cc(F)c([N-]S(=O)(=O)CC#N)cc1F	ZINC001192988823	772985052	/nfs/dbraw/zinc/98/50/52/772985052.db2.gz	QLCCEJNGQTVDHW-UHFFFAOYSA-N	-1	0	310.303	0.634	20	30		DCEDRM
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1c(C#N)cnn1C	ZINC001193013296	772996011	/nfs/dbraw/zinc/99/60/11/772996011.db2.gz	MIHXMQMMNPWMCV-UHFFFAOYSA-N	-1	0	300.340	0.375	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1nc[nH]c(=O)c1Br	ZINC001193106678	773005860	/nfs/dbraw/zinc/00/58/60/773005860.db2.gz	IXNDKXMBLKYFCB-BYPYZUCNSA-N	-1	0	307.129	0.598	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1csc(N2CCOCC2)n1	ZINC001193107412	773006458	/nfs/dbraw/zinc/00/64/58/773006458.db2.gz	VKCQIMHSCDMJJZ-QMMMGPOBSA-N	-1	0	302.381	0.633	20	30		DCEDRM
COC(=O)c1cc(O)c(OC)cc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193146657	773017823	/nfs/dbraw/zinc/01/78/23/773017823.db2.gz	QAKSDGUQULWHBS-SSDOTTSWSA-N	-1	0	314.319	0.841	20	30		DCEDRM
CCOC(=O)/C=C(\[N-]S(=O)(=O)[C@@H](C)C#N)C(F)(F)F	ZINC001193159856	773019876	/nfs/dbraw/zinc/01/98/76/773019876.db2.gz	QQVBFAJZKJNTMK-BBEKVSQQSA-N	-1	0	300.258	0.827	20	30		DCEDRM
COC(=O)C[C@H]1CN(C(=O)c2ccc([O-])c(C#N)c2)CCO1	ZINC001193504072	773075624	/nfs/dbraw/zinc/07/56/24/773075624.db2.gz	LZAJPPMLNJJCTH-LBPRGKRZSA-N	-1	0	304.302	0.668	20	30		DCEDRM
C=CC[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000159725037	773517496	/nfs/dbraw/zinc/51/74/96/773517496.db2.gz	PRZFNNHRBOWDMF-JTQLQIEISA-N	-1	0	313.335	0.485	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccsc1C(=O)N1CCO[C@@H](C#N)C1	ZINC001196731101	773642552	/nfs/dbraw/zinc/64/25/52/773642552.db2.gz	FPJLLDNIXSLRQN-QMMMGPOBSA-N	-1	0	315.376	0.484	20	30		DCEDRM
C=C(C)CCC(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21	ZINC001218038239	774210238	/nfs/dbraw/zinc/21/02/38/774210238.db2.gz	WHKLKKJJVQVDNK-NWDGAFQWSA-N	-1	0	321.381	0.278	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cc(C)nn1C	ZINC001222700071	775419043	/nfs/dbraw/zinc/41/90/43/775419043.db2.gz	RYZPLUFDPMNUBB-GFCCVEGCSA-N	-1	0	304.368	0.704	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cccnc1C#N	ZINC001223059234	775458118	/nfs/dbraw/zinc/45/81/18/775458118.db2.gz	MLWHBCLSRNJJRT-GFCCVEGCSA-N	-1	0	312.347	0.929	20	30		DCEDRM
CC(C)(C)C#CC(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001223143070	775467117	/nfs/dbraw/zinc/46/71/17/775467117.db2.gz	PCOZWXMXJMHOPI-UHFFFAOYSA-N	-1	0	319.409	0.888	20	30		DCEDRM
N#CCCN1CC(Oc2[n-]c(=O)nnc2Br)C1	ZINC001227066718	775923203	/nfs/dbraw/zinc/92/32/03/775923203.db2.gz	NXWQFPNSJKQMLO-UHFFFAOYSA-N	-1	0	300.116	0.316	20	30		DCEDRM
C=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1ncnc(=O)[n-]1	ZINC001229605710	776204433	/nfs/dbraw/zinc/20/44/33/776204433.db2.gz	GWAXIUINCHXHLJ-UHFFFAOYSA-N	-1	0	323.305	0.563	20	30		DCEDRM
C#CC1(O)CCN(CC(=O)Nc2ccsc2C(=O)[O-])CC1	ZINC001602676689	1169157240	/nfs/dbraw/zinc/15/72/40/1169157240.db2.gz	DZUUBTCJZYFMMD-UHFFFAOYSA-N	-1	0	308.359	0.845	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC001602728202	1169174914	/nfs/dbraw/zinc/17/49/14/1169174914.db2.gz	NLPBUOQUOVITJY-UHFFFAOYSA-N	-1	0	311.359	0.964	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)Cc1ccc(C(=O)OC)nc1)C(=O)[O-]	ZINC001602748592	1169178105	/nfs/dbraw/zinc/17/81/05/1169178105.db2.gz	CYMFUDUHZXAJHW-LBPRGKRZSA-N	-1	0	306.318	0.946	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1coc(CS(C)(=O)=O)n1)C(=O)[O-]	ZINC001602754939	1169179382	/nfs/dbraw/zinc/17/93/82/1169179382.db2.gz	AWDOGCRGIYXFLG-MRVPVSSYSA-N	-1	0	316.335	0.368	20	30		DCEDRM
C=CCCC(=O)N(C)CCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001267606382	939561811	/nfs/dbraw/zinc/56/18/11/939561811.db2.gz	XBBJUCUNQRETIT-UHFFFAOYSA-N	-1	0	322.413	0.053	20	30		DCEDRM
C#CCCCCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001267923650	939705989	/nfs/dbraw/zinc/70/59/89/939705989.db2.gz	ASAVANFEQIQRNB-GFCCVEGCSA-N	-1	0	305.382	0.785	20	30		DCEDRM
C=CCN1CC[C@@]2(CCCN2C(=O)c2cc([O-])[nH]c(=O)c2)C1=O	ZINC001269381770	940695877	/nfs/dbraw/zinc/69/58/77/940695877.db2.gz	UFHRFUUPNKBKQR-INIZCTEOSA-N	-1	0	317.345	0.886	20	30		DCEDRM
C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)Cc1nnn[n-]1	ZINC001269577656	940733929	/nfs/dbraw/zinc/73/39/29/940733929.db2.gz	NAOLKAGOUAIWFH-HNNXBMFYSA-N	-1	0	318.381	0.302	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001270674401	940963295	/nfs/dbraw/zinc/96/32/95/940963295.db2.gz	PNFUWJPULRSQHN-RYUDHWBXSA-N	-1	0	323.397	0.430	20	30		DCEDRM
CN1C(=O)COCC12CN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001271442542	941376359	/nfs/dbraw/zinc/37/63/59/941376359.db2.gz	WROSRESYNOMOFU-UHFFFAOYSA-N	-1	0	303.338	0.106	20	30		DCEDRM
CN1C[C@@]2(CCN(C(=O)c3ccc([O-])c(C#N)c3)C2)OCC1=O	ZINC001272219514	941820322	/nfs/dbraw/zinc/82/03/22/941820322.db2.gz	NMERZCOCRQADES-MRXNPFEDSA-N	-1	0	315.329	0.337	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2ccc(F)c(F)c2)c(C#N)c1=O	ZINC001412882725	942122595	/nfs/dbraw/zinc/12/25/95/942122595.db2.gz	LLSGTYACFYMNRW-UHFFFAOYSA-N	-1	0	306.272	0.878	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@](C)(O)C2CCCCC2)c(C#N)c1=O	ZINC001412883791	942123256	/nfs/dbraw/zinc/12/32/56/942123256.db2.gz	RMIMOMBKUCPZNR-OAHLLOKOSA-N	-1	0	306.366	0.688	20	30		DCEDRM
CSCC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)N(C)C	ZINC001611089115	970887226	/nfs/dbraw/zinc/88/72/26/970887226.db2.gz	CYJFMZXEIQMBKO-ZANVPECISA-N	-1	0	315.395	0.317	20	30		DCEDRM
CSc1nnc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])s1	ZINC001611093199	970888932	/nfs/dbraw/zinc/88/89/32/970888932.db2.gz	BYUVIRYNTDOOJB-SNVBAGLBSA-N	-1	0	300.365	0.881	20	30		DCEDRM
Cn1nccc1[C@H](NCC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC001601033285	970912720	/nfs/dbraw/zinc/91/27/20/970912720.db2.gz	AZIQTJMKNNFJJC-AWEZNQCLSA-N	-1	0	313.317	0.646	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1F	ZINC001601112165	970934503	/nfs/dbraw/zinc/93/45/03/970934503.db2.gz	QEIOJFPPEGYWAA-LLVKDONJSA-N	-1	0	314.294	0.171	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](c2nncn2C)C1	ZINC001413510257	943032653	/nfs/dbraw/zinc/03/26/53/943032653.db2.gz	VSGAZQHIBMARLL-SNVBAGLBSA-N	-1	0	312.333	0.726	20	30		DCEDRM
N#Cc1ccc2c(c1)n[nH]c2C(=O)NCC(=O)CCC(=O)[O-]	ZINC001156889761	944154887	/nfs/dbraw/zinc/15/48/87/944154887.db2.gz	DXMOENXYBHIQFT-UHFFFAOYSA-N	-1	0	300.274	0.598	20	30		DCEDRM
CC(C)C#CC(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001316930593	944657533	/nfs/dbraw/zinc/65/75/33/944657533.db2.gz	HSTPNRLHLPCKJB-UHFFFAOYSA-N	-1	0	305.382	0.593	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-]	ZINC001321166766	946197093	/nfs/dbraw/zinc/19/70/93/946197093.db2.gz	KUDWXGPIPOIBLH-CMPLNLGQSA-N	-1	0	306.318	0.774	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@@H](n2cc(C#N)nn2)C[C@H]1C(=O)[O-]	ZINC001254085997	946311521	/nfs/dbraw/zinc/31/15/21/946311521.db2.gz	IOYARUQIGIZBQI-UWVGGRQHSA-N	-1	0	307.310	0.785	20	30		DCEDRM
N#Cc1ccc(-c2cn(CCOCCOCC(=O)[O-])nn2)cn1	ZINC001254090464	946314623	/nfs/dbraw/zinc/31/46/23/946314623.db2.gz	MFWRUBKTGOPROE-UHFFFAOYSA-N	-1	0	317.305	0.330	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC001602672343	971237481	/nfs/dbraw/zinc/23/74/81/971237481.db2.gz	KUFAYJYKSQTNFG-XQQFMLRXSA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@]1(C(=O)OC(C)(C)C)CCCO1	ZINC001602678869	971257083	/nfs/dbraw/zinc/25/70/83/971257083.db2.gz	IGQKSHOOZBPTQO-OAHLLOKOSA-N	-1	0	311.334	0.424	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccnc(OC(C)C)c1	ZINC001602678779	971257291	/nfs/dbraw/zinc/25/72/91/971257291.db2.gz	GAWQSAAMLBRVKK-UHFFFAOYSA-N	-1	0	319.317	0.354	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC001602682217	971266472	/nfs/dbraw/zinc/26/64/72/971266472.db2.gz	JFAUWCZDFROKGT-HNNXBMFYSA-N	-1	0	316.357	0.434	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1cc(S(=O)(=O)NC)oc1C)C(=O)[O-]	ZINC001322600912	946740281	/nfs/dbraw/zinc/74/02/81/946740281.db2.gz	KDNFUNJTBLYMBQ-SECBINFHSA-N	-1	0	316.335	0.255	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1	ZINC001602684050	971278020	/nfs/dbraw/zinc/27/80/20/971278020.db2.gz	OWQSWOYCTUSPOR-MNOVXSKESA-N	-1	0	316.379	0.072	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](c1nccn1C)C(F)(F)F	ZINC001602684328	971280191	/nfs/dbraw/zinc/28/01/91/971280191.db2.gz	WBXZOVOJQKVZFQ-VIFPVBQESA-N	-1	0	318.255	0.753	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cc2c([nH]c1=O)CCCC2	ZINC001602685864	971282983	/nfs/dbraw/zinc/28/29/83/971282983.db2.gz	IPNDDRMBWUWFRQ-UHFFFAOYSA-N	-1	0	317.345	0.895	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2nccn3cnnc23)c1	ZINC001259117863	946914845	/nfs/dbraw/zinc/91/48/45/946914845.db2.gz	LXKPLRNJUIDDKS-UHFFFAOYSA-N	-1	0	300.303	0.797	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)NCC(=O)CCC(=O)[O-])ccc1F	ZINC001259421878	946958042	/nfs/dbraw/zinc/95/80/42/946958042.db2.gz	SSRUNADLEZQGHY-UHFFFAOYSA-N	-1	0	314.294	0.410	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]c2ncnn3cccc23)cc1	ZINC001260037771	947052485	/nfs/dbraw/zinc/05/24/85/947052485.db2.gz	DFPBNDYUZOHEDT-UHFFFAOYSA-N	-1	0	313.342	0.965	20	30		DCEDRM
N#Cc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccn1	ZINC001260435618	947102662	/nfs/dbraw/zinc/10/26/62/947102662.db2.gz	JUTIUKSEYADNKG-UHFFFAOYSA-N	-1	0	301.287	0.712	20	30		DCEDRM
Cc1nc(S(=O)(=O)[N-]c2c(C#N)cnc3ccnn32)cn1C	ZINC001260541917	947107822	/nfs/dbraw/zinc/10/78/22/947107822.db2.gz	HDIIDRZEAZSTHR-UHFFFAOYSA-N	-1	0	317.334	0.444	20	30		DCEDRM
Cc1nc(S(=O)(=O)[N-]c2nc(C)c(C#N)cc2C#N)cn1C	ZINC001260542589	947108387	/nfs/dbraw/zinc/10/83/87/947108387.db2.gz	XWKPHMWYJLIQGK-UHFFFAOYSA-N	-1	0	316.346	0.976	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)NCCC(=O)[O-])n1	ZINC001602704334	971334006	/nfs/dbraw/zinc/33/40/06/971334006.db2.gz	DMSNPGAJFAVGGD-UHFFFAOYSA-N	-1	0	308.338	0.149	20	30		DCEDRM
C#Cc1ccc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cc1	ZINC001602707223	971342381	/nfs/dbraw/zinc/34/23/81/971342381.db2.gz	MQZGJOWWACDLGI-CYBMUJFWSA-N	-1	0	300.314	0.930	20	30		DCEDRM
C=CCCC(=O)N1CC([C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001280624876	947288092	/nfs/dbraw/zinc/28/80/92/947288092.db2.gz	SABXOBCVTXGLOU-SECBINFHSA-N	-1	0	306.366	0.967	20	30		DCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)N(C)CC(=O)OCC	ZINC001262108746	947563415	/nfs/dbraw/zinc/56/34/15/947563415.db2.gz	XMNABSUAVMTALL-UHFFFAOYSA-N	-1	0	306.384	0.445	20	30		DCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001602729691	971400449	/nfs/dbraw/zinc/40/04/49/971400449.db2.gz	BEIAAJNNEQPXAT-SDDRHHMPSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@H]1CCC[C@@H]1C#N	ZINC001262969765	947792046	/nfs/dbraw/zinc/79/20/46/947792046.db2.gz	QFJYWQGEGFNKKA-PWSUYJOCSA-N	-1	0	313.365	0.817	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@@H]2COC[C@@H]21	ZINC001262969546	947792928	/nfs/dbraw/zinc/79/29/28/947792928.db2.gz	KRHXRCZSTBEZRK-PWSUYJOCSA-N	-1	0	316.365	0.303	20	30		DCEDRM
N#CCCCCC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001327130581	948404758	/nfs/dbraw/zinc/40/47/58/948404758.db2.gz	IUECWNQKYIOJQZ-LBPRGKRZSA-N	-1	0	321.377	0.994	20	30		DCEDRM
C=CC[C@H](NC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC001327574961	948557415	/nfs/dbraw/zinc/55/74/15/948557415.db2.gz	NDOYPHFNYAKEPS-RVMXOQNASA-N	-1	0	313.398	0.813	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(F)(F)F)n(C)n1)C(=O)[O-]	ZINC001263631038	948731449	/nfs/dbraw/zinc/73/14/49/948731449.db2.gz	GCGUVUIQZFLWHL-QMMMGPOBSA-N	-1	0	321.255	0.825	20	30		DCEDRM
CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCO[C@H]2C)n1	ZINC001264028136	948838363	/nfs/dbraw/zinc/83/83/63/948838363.db2.gz	KYGRNEHXXFBNLS-AAEUAGOBSA-N	-1	0	318.377	0.336	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001328947289	949219698	/nfs/dbraw/zinc/21/96/98/949219698.db2.gz	XEBIBLAPSUIZAF-UHFFFAOYSA-N	-1	0	316.339	0.736	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c(C#N)c1=O	ZINC001364585979	949593123	/nfs/dbraw/zinc/59/31/23/949593123.db2.gz	QMKKWFUOKRCUES-USWWRNFRSA-N	-1	0	304.350	0.075	20	30		DCEDRM
CC(=O)c1ccc(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)cc1	ZINC001364615700	949638620	/nfs/dbraw/zinc/63/86/20/949638620.db2.gz	LERAVTTUCJOOME-UHFFFAOYSA-N	-1	0	312.285	0.250	20	30		DCEDRM
C=CCOCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-]	ZINC001265403742	949660193	/nfs/dbraw/zinc/66/01/93/949660193.db2.gz	QZPLXENMVVVKLN-BETUJISGSA-N	-1	0	320.393	0.915	20	30		DCEDRM
CC1(C)CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@H](CO)O1	ZINC001364737362	949845109	/nfs/dbraw/zinc/84/51/09/949845109.db2.gz	HJWQGVWNTNUGAQ-GFCCVEGCSA-N	-1	0	317.349	0.278	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C(=O)[O-])c1ccnn1C	ZINC001589720935	950420011	/nfs/dbraw/zinc/42/00/11/950420011.db2.gz	XSJBNZNTHRLKHM-ZWNOBZJWSA-N	-1	0	307.354	0.144	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc3c(c2)OCCO3)c(C#N)c1=O	ZINC001365207292	950737701	/nfs/dbraw/zinc/73/77/01/950737701.db2.gz	MJLQOUBILHADOI-UHFFFAOYSA-N	-1	0	314.301	0.329	20	30		DCEDRM
COc1ccc(CN(C)c2[n-]c(=O)n(C)c(=O)c2C#N)cc1O	ZINC001365222233	950761945	/nfs/dbraw/zinc/76/19/45/950761945.db2.gz	AMGOEKFXMKYWLG-UHFFFAOYSA-N	-1	0	316.317	0.296	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2cccc3c2OCCO3)c(C#N)c1=O	ZINC001365226210	950769120	/nfs/dbraw/zinc/76/91/20/950769120.db2.gz	SHGBESKYYCYFDN-UHFFFAOYSA-N	-1	0	301.258	0.509	20	30		DCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@](C)(O)c1ccccc1	ZINC001365230764	950777732	/nfs/dbraw/zinc/77/77/32/950777732.db2.gz	XKROPHASMHPBTG-HWPZZCPQSA-N	-1	0	314.345	0.653	20	30		DCEDRM
O=C(NCC#Cc1ccccc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001331020387	950832145	/nfs/dbraw/zinc/83/21/45/950832145.db2.gz	CQGVKRAVFOQJTJ-BETUJISGSA-N	-1	0	300.314	0.134	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1	ZINC001331949948	951404562	/nfs/dbraw/zinc/40/45/62/951404562.db2.gz	LQOBQNXAIXWTDG-NSHDSACASA-N	-1	0	312.366	0.407	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cnc3sccn3c2=O)[n-]c1C#N	ZINC001332672331	951756013	/nfs/dbraw/zinc/75/60/13/951756013.db2.gz	VYDCYEYQAKZKCF-UHFFFAOYSA-N	-1	0	311.286	0.475	20	30		DCEDRM
N#CCNCC1CC(NC(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001275294658	952047966	/nfs/dbraw/zinc/04/79/66/952047966.db2.gz	JIHOELWQQHJFBU-UHFFFAOYSA-N	-1	0	311.345	0.957	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)c(F)c1	ZINC001411759758	952432006	/nfs/dbraw/zinc/43/20/06/952432006.db2.gz	JFUPCFLIZCBJOX-UHFFFAOYSA-N	-1	0	319.296	0.797	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)/C=C(/C)CN1CCOCC1)C(=O)[O-]	ZINC001335001425	952434890	/nfs/dbraw/zinc/43/48/90/952434890.db2.gz	DKVBQAPUTCOPNP-UMAGTOLTSA-N	-1	0	316.785	0.977	20	30		DCEDRM
COC(C)(C)CN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001411903251	952527006	/nfs/dbraw/zinc/52/70/06/952527006.db2.gz	RZGSHPIZQDUNOS-UHFFFAOYSA-N	-1	0	308.338	0.094	20	30		DCEDRM
C[C@@H]1CCC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001412033707	952611619	/nfs/dbraw/zinc/61/16/19/952611619.db2.gz	WZRHOQYOTSFDOG-PWSUYJOCSA-N	-1	0	304.350	0.906	20	30		DCEDRM
Cc1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cc1C#N	ZINC001412055640	952624174	/nfs/dbraw/zinc/62/41/74/952624174.db2.gz	HRAWYOODLCGOLZ-UHFFFAOYSA-N	-1	0	312.333	0.504	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1	ZINC001412131820	952659679	/nfs/dbraw/zinc/65/96/79/952659679.db2.gz	RKONCLZUCJWIHM-UHFFFAOYSA-N	-1	0	309.289	0.285	20	30		DCEDRM
N#Cc1ccc2c(c1)CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C2	ZINC001412290240	952733464	/nfs/dbraw/zinc/73/34/64/952733464.db2.gz	QLFOSKLDWAKALW-UHFFFAOYSA-N	-1	0	313.317	0.884	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1nc(=O)o[n-]1	ZINC001412292757	952736813	/nfs/dbraw/zinc/73/68/13/952736813.db2.gz	QNLLBAFQOAXWAI-SECBINFHSA-N	-1	0	302.290	0.660	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)Cc1nnc2n1CCC2	ZINC001412384215	952772516	/nfs/dbraw/zinc/77/25/16/952772516.db2.gz	OGXWGJWXAMYDQB-UHFFFAOYSA-N	-1	0	312.333	0.777	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)C#CC2CC2)c1[O-]	ZINC001337166662	952821628	/nfs/dbraw/zinc/82/16/28/952821628.db2.gz	QJHXXYAZGMPZOZ-VIFPVBQESA-N	-1	0	304.350	0.414	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)c1C#N	ZINC001412618383	952944082	/nfs/dbraw/zinc/94/40/82/952944082.db2.gz	XQKXYHFJVUHTOF-JTQLQIEISA-N	-1	0	315.337	0.392	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CC[C@@H](C)O[C@@H](C)C1	ZINC001339090722	953071967	/nfs/dbraw/zinc/07/19/67/953071967.db2.gz	DQUHBEDUIXAKSF-ZJUUUORDSA-N	-1	0	304.358	0.648	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001339617247	953107255	/nfs/dbraw/zinc/10/72/55/953107255.db2.gz	PPJYNPAFBVQFBD-KGLIPLIRSA-N	-1	0	301.346	0.291	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@H]1CSCN1C(=O)CCC)C(=O)[O-]	ZINC001339863056	953125458	/nfs/dbraw/zinc/12/54/58/953125458.db2.gz	YEQNUAWUDPQEPD-NXEZZACHSA-N	-1	0	300.380	0.834	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c(=O)n(C)c2c1	ZINC001341902155	953257464	/nfs/dbraw/zinc/25/74/64/953257464.db2.gz	HWBJPJGYUFOZMX-JTQLQIEISA-N	-1	0	316.317	0.364	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnn2ccncc12	ZINC001342599327	953297814	/nfs/dbraw/zinc/29/78/14/953297814.db2.gz	ZGEIIASTGUYAQB-NSHDSACASA-N	-1	0	315.333	0.595	20	30		DCEDRM
C=C(C)Cn1c(-c2noc(=O)[nH]2)nnc1N1CCSCC1	ZINC001343045374	953319620	/nfs/dbraw/zinc/31/96/20/953319620.db2.gz	UFMRPTGSGRODME-UHFFFAOYSA-N	-1	0	308.367	0.751	20	30		DCEDRM
CCc1ccc([C@@H](C#N)NC(=O)c2cn(CC(=O)[O-])nn2)cc1	ZINC001593635292	953606061	/nfs/dbraw/zinc/60/60/61/953606061.db2.gz	KEDMVMJUKSXEPA-GFCCVEGCSA-N	-1	0	313.317	0.920	20	30		DCEDRM
C[C@@H]1C[C@]2(CC[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])O2)CO1	ZINC001589296282	953650534	/nfs/dbraw/zinc/65/05/34/953650534.db2.gz	MNLUNTHOHMPGQB-HKCMKHECSA-N	-1	0	310.350	0.834	20	30		DCEDRM
C[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCS1(=O)=O	ZINC001589334881	953983523	/nfs/dbraw/zinc/98/35/23/953983523.db2.gz	BILQJFDSWXVJAQ-JOYOIKCWSA-N	-1	0	302.352	0.027	20	30		DCEDRM
CN(C)Cc1csc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001593703529	954141729	/nfs/dbraw/zinc/14/17/29/954141729.db2.gz	BPTXDDBMMQMHSN-ZDUSSCGKSA-N	-1	0	310.379	0.825	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)NCCOCCOCC(=O)[O-]	ZINC001593724554	954273202	/nfs/dbraw/zinc/27/32/02/954273202.db2.gz	ZSHDECYSCAMKTB-UHFFFAOYSA-N	-1	0	301.343	0.295	20	30		DCEDRM
C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cn2)C[C@H](C)N1CC#N	ZINC001589392353	954334478	/nfs/dbraw/zinc/33/44/78/954334478.db2.gz	NXSSEXDYGDZMBZ-QWRGUYRKSA-N	-1	0	302.334	0.838	20	30		DCEDRM
CC[C@H](C(=O)[O-])N(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC001589441167	954717967	/nfs/dbraw/zinc/71/79/67/954717967.db2.gz	VNPXHBIJSBTGCA-KGLIPLIRSA-N	-1	0	324.425	0.474	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCCc2nnc[nH]2)cc1C#N	ZINC001349643834	954825762	/nfs/dbraw/zinc/82/57/62/954825762.db2.gz	GGPPKXVKMGWOBW-UHFFFAOYSA-N	-1	0	318.362	0.861	20	30		DCEDRM
C=C[C@](C)(O)C(=O)N1CCN(c2nc(C(=O)[O-])cs2)CC1	ZINC001349997948	954959455	/nfs/dbraw/zinc/95/94/55/954959455.db2.gz	UNHSELJNLYWBSH-ZDUSSCGKSA-N	-1	0	311.363	0.427	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(Br)cnn1C	ZINC000710349964	955025139	/nfs/dbraw/zinc/02/51/39/955025139.db2.gz	PWERDWCWRSVFHY-UHFFFAOYSA-N	-1	0	300.112	0.343	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)C1Cc2ccccc2C1	ZINC001353571818	956107780	/nfs/dbraw/zinc/10/77/80/956107780.db2.gz	QWZYRENMVBWSSW-UHFFFAOYSA-N	-1	0	310.400	0.857	20	30		DCEDRM
N#C[C@@]1(c2ccccn2)CCCN(C(=O)COCC(=O)[O-])C1	ZINC001594602303	956145678	/nfs/dbraw/zinc/14/56/78/956145678.db2.gz	LRASYSGPANVLHO-HNNXBMFYSA-N	-1	0	303.318	0.567	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)Nc2cccc(C(=O)[O-])c2)CC1	ZINC001594605881	956173053	/nfs/dbraw/zinc/17/30/53/956173053.db2.gz	LDFZTOAGMHEDAO-UHFFFAOYSA-N	-1	0	316.317	0.975	20	30		DCEDRM
N#CCC1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC001594605838	956173854	/nfs/dbraw/zinc/17/38/54/956173854.db2.gz	JLWGMKQWFAZYOF-UHFFFAOYSA-N	-1	0	315.395	0.653	20	30		DCEDRM
N#CCN1CCC(NC(=O)Nc2cccnc2C(=O)[O-])CC1	ZINC001594610323	956201068	/nfs/dbraw/zinc/20/10/68/956201068.db2.gz	VCNUFMLDCRQIKD-UHFFFAOYSA-N	-1	0	303.322	0.889	20	30		DCEDRM
N#CC[C@@H]1CC[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC001594611515	956216928	/nfs/dbraw/zinc/21/69/28/956216928.db2.gz	SCRBJBOGNLQCHI-JQWIXIFHSA-N	-1	0	315.395	0.700	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2ncn(CC(=O)[O-])n2)nc1Cl	ZINC001594617796	956255195	/nfs/dbraw/zinc/25/51/95/956255195.db2.gz	LTLZTXTYRRJDLP-UHFFFAOYSA-N	-1	0	306.669	0.535	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@H](C(=O)[O-])c2ccccc2)nc1	ZINC001594622609	956291264	/nfs/dbraw/zinc/29/12/64/956291264.db2.gz	ABHYQLDFHQMFQE-ZDUSSCGKSA-N	-1	0	324.296	0.834	20	30		DCEDRM
N#Cc1ccc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)cc1	ZINC001594623162	956296368	/nfs/dbraw/zinc/29/63/68/956296368.db2.gz	XKBYHJISWUGEOU-LBPRGKRZSA-N	-1	0	301.302	0.820	20	30		DCEDRM
N#Cc1cccc(CC(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)c1	ZINC001594625904	956314739	/nfs/dbraw/zinc/31/47/39/956314739.db2.gz	QMXWIGHEDRXSAY-LBPRGKRZSA-N	-1	0	302.286	0.329	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccn(CCC#N)n2)C1	ZINC001593964277	956529078	/nfs/dbraw/zinc/52/90/78/956529078.db2.gz	IUDNRWUGUJVCAV-AWEZNQCLSA-N	-1	0	321.337	0.752	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(c2ccc(C#N)cc2[N+](=O)[O-])CCO1	ZINC001593984930	956758498	/nfs/dbraw/zinc/75/84/98/956758498.db2.gz	MZKYKGCJZBEWRN-AWEZNQCLSA-N	-1	0	321.289	0.773	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1	ZINC001589265328	957075741	/nfs/dbraw/zinc/07/57/41/957075741.db2.gz	FNIFMNODQDZHAE-IJLUTSLNSA-N	-1	0	307.350	0.318	20	30		DCEDRM
Cn1cnnc1S(=O)(=O)NC1(c2cccc(C#N)c2)CC1	ZINC001463686812	1013153519	/nfs/dbraw/zinc/15/35/19/1013153519.db2.gz	DNYSBINNAYXEOS-UHFFFAOYSA-N	-1	0	303.347	0.654	20	30		DCEDRM
C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1	ZINC001603166206	972262640	/nfs/dbraw/zinc/26/26/40/972262640.db2.gz	GRIBZKRFPSMJTO-FJJYHAOUSA-N	-1	0	311.382	0.605	20	30		DCEDRM
CC(C)Oc1cc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)ccn1	ZINC001413885907	957689219	/nfs/dbraw/zinc/68/92/19/957689219.db2.gz	UDNUEDHZZABPCJ-UHFFFAOYSA-N	-1	0	315.333	0.740	20	30		DCEDRM
N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)n1	ZINC001332340422	957754920	/nfs/dbraw/zinc/75/49/20/957754920.db2.gz	XAVVJBFOHVFPML-ZJUUUORDSA-N	-1	0	319.321	0.105	20	30		DCEDRM
C#C[C@H](NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)C(C)C	ZINC001341255696	957958829	/nfs/dbraw/zinc/95/88/29/957958829.db2.gz	HWJXJFMHOADGQW-NWDGAFQWSA-N	-1	0	309.366	0.409	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC001588389072	958004091	/nfs/dbraw/zinc/00/40/91/958004091.db2.gz	LWWIWZZICGTVJS-JHJVBQTASA-N	-1	0	324.377	0.100	20	30		DCEDRM
C#CCC(C)(C)c1nnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1C	ZINC001588389528	958009339	/nfs/dbraw/zinc/00/93/39/958009339.db2.gz	WDVZMXMXHBQRFO-BDJLRTHQSA-N	-1	0	318.377	0.653	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc(COCC)c1	ZINC001588396128	958046011	/nfs/dbraw/zinc/04/60/11/958046011.db2.gz	UWGUCQIXZWDNGM-UHFFFAOYSA-N	-1	0	318.329	0.708	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCC2(CC(N)=O)CC2)cc1C#N	ZINC001361525655	958051031	/nfs/dbraw/zinc/05/10/31/958051031.db2.gz	MCFYYUROOVBJPC-UHFFFAOYSA-N	-1	0	320.374	0.766	20	30		DCEDRM
Cn1nccc1[C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC001345640066	958055205	/nfs/dbraw/zinc/05/52/05/958055205.db2.gz	XKRSHGYRFKXFNT-JTQLQIEISA-N	-1	0	300.340	0.159	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnc2ccccc2c1	ZINC001588397780	958063691	/nfs/dbraw/zinc/06/36/91/958063691.db2.gz	UGMKCGLAGPQUKK-UHFFFAOYSA-N	-1	0	311.297	0.720	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCN1Cc1ccc(OC)cc1	ZINC001588400214	958080002	/nfs/dbraw/zinc/08/00/02/958080002.db2.gz	STLIPJUXSGFPBN-HNNXBMFYSA-N	-1	0	316.357	0.816	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O	ZINC001588417543	958176009	/nfs/dbraw/zinc/17/60/09/958176009.db2.gz	VBLBRLAYJVIAPS-SNVBAGLBSA-N	-1	0	314.297	0.218	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1coc(Sc2ncccn2)n1	ZINC001588418356	958177757	/nfs/dbraw/zinc/17/77/57/958177757.db2.gz	BZHHQPPVYGTVOQ-UHFFFAOYSA-N	-1	0	318.314	0.776	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(CS(C)(=O)=O)c1	ZINC001588419247	958193957	/nfs/dbraw/zinc/19/39/57/958193957.db2.gz	YWZPIKTZMJIDMF-UHFFFAOYSA-N	-1	0	309.343	0.391	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ncccc2CC#N)n1C	ZINC001588426649	958231029	/nfs/dbraw/zinc/23/10/29/958231029.db2.gz	VGKKENHSRKXPDW-UHFFFAOYSA-N	-1	0	310.317	0.467	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2c(C)nc3ccccn32)n1C	ZINC001588426704	958231575	/nfs/dbraw/zinc/23/15/75/958231575.db2.gz	ZGCKYEMAKLBYEA-UHFFFAOYSA-N	-1	0	324.344	0.962	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(COc2cccnc2)n1C	ZINC001588427285	958242895	/nfs/dbraw/zinc/24/28/95/958242895.db2.gz	SCOVVZQYCKABQT-UHFFFAOYSA-N	-1	0	301.306	0.313	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCOc3ccccc32)c(=O)[n-]c1=O	ZINC001361738809	958273620	/nfs/dbraw/zinc/27/36/20/958273620.db2.gz	QLQBNHLIMFSSPY-UHFFFAOYSA-N	-1	0	312.285	0.246	20	30		DCEDRM
C#CCn1ccc(CN(CC)[C@@H]2CCN(CC(=O)[O-])C2=O)n1	ZINC001588432926	958289993	/nfs/dbraw/zinc/28/99/93/958289993.db2.gz	HUEAHYNHLONCOY-CYBMUJFWSA-N	-1	0	304.350	0.024	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001594342806	958308418	/nfs/dbraw/zinc/30/84/18/958308418.db2.gz	WQHMGKZECMHYBA-GFCCVEGCSA-N	-1	0	322.342	0.191	20	30		DCEDRM
C=C(C)CN(C)C(=O)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588442496	958345523	/nfs/dbraw/zinc/34/55/23/958345523.db2.gz	RXMVYLGPIYAAJV-BWBHSNQOSA-N	-1	0	324.377	0.550	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)[C@@H](C)N1CCOCC1	ZINC001361810927	958358697	/nfs/dbraw/zinc/35/86/97/958358697.db2.gz	UGDQRLYZDLKQNC-VXGBXAGGSA-N	-1	0	318.377	0.806	20	30		DCEDRM
COc1cccc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001361855505	958410255	/nfs/dbraw/zinc/41/02/55/958410255.db2.gz	MVOSXZBSFNJIRX-UHFFFAOYSA-N	-1	0	314.301	0.858	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC001588451412	958410998	/nfs/dbraw/zinc/41/09/98/958410998.db2.gz	VWORBXYEEKDAQA-GFCCVEGCSA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)n1CCOC	ZINC001588451821	958415526	/nfs/dbraw/zinc/41/55/26/958415526.db2.gz	CCDSGGNPAQHRLK-SRVKXCTJSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=CCN(C)CCN(CC)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC001588463309	958483239	/nfs/dbraw/zinc/48/32/39/958483239.db2.gz	MICBZCVZLXMUHB-LBPRGKRZSA-N	-1	0	319.427	0.220	20	30		DCEDRM
C=CCn1c(-c2ncccn2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588470328	958524863	/nfs/dbraw/zinc/52/48/63/958524863.db2.gz	JUVGNDBXUMTSKX-JTQLQIEISA-N	-1	0	300.322	0.832	20	30		DCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588471932	958538824	/nfs/dbraw/zinc/53/88/24/958538824.db2.gz	GVKIDIBNJJQPAA-NHYWBVRUSA-N	-1	0	324.381	0.315	20	30		DCEDRM
C=CCn1c(C[S@@](C)=O)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001588472527	958542998	/nfs/dbraw/zinc/54/29/98/958542998.db2.gz	OIOYQPOOKCSDTC-CHNSCGDPSA-N	-1	0	312.395	0.644	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588478316	958563653	/nfs/dbraw/zinc/56/36/53/958563653.db2.gz	FLRJTVLWSJVWFM-CABZTGNLSA-N	-1	0	319.317	0.426	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126098593	958579466	/nfs/dbraw/zinc/57/94/66/958579466.db2.gz	STGFNZNAFLYGKF-JTQLQIEISA-N	-1	0	312.734	0.966	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C2CC2)C(=O)C1	ZINC001362024405	958620861	/nfs/dbraw/zinc/62/08/61/958620861.db2.gz	NHTSDNPCIWTNMG-UHFFFAOYSA-N	-1	0	300.318	0.414	20	30		DCEDRM
CC[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362046940	958648579	/nfs/dbraw/zinc/64/85/79/958648579.db2.gz	ZBLRTFCOLQOMOP-ZYHUDNBSSA-N	-1	0	304.350	0.906	20	30		DCEDRM
COc1cccc(NC(=O)[C@@H](C#N)C(=O)COCC(=O)[O-])c1	ZINC001594131038	958667198	/nfs/dbraw/zinc/66/71/98/958667198.db2.gz	GIOLLEZZYGOWSQ-NSHDSACASA-N	-1	0	306.274	0.444	20	30		DCEDRM
COCCN(CC(=O)OC)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362092918	958722638	/nfs/dbraw/zinc/72/26/38/958722638.db2.gz	UQOYVPZMNRNYEH-UHFFFAOYSA-N	-1	0	307.306	0.229	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362093739	958725354	/nfs/dbraw/zinc/72/53/54/958725354.db2.gz	YBJMAKRXWCNLEI-UHFFFAOYSA-N	-1	0	323.312	0.351	20	30		DCEDRM
C#CCN(CC1CC1)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134729428	958859599	/nfs/dbraw/zinc/85/95/99/958859599.db2.gz	JKKNDUWZLFVGLG-UHFFFAOYSA-N	-1	0	300.361	0.875	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1	ZINC001588534555	958923428	/nfs/dbraw/zinc/92/34/28/958923428.db2.gz	KCSZIMKJLSXFCM-XLKFXECMSA-N	-1	0	320.305	0.208	20	30		DCEDRM
CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCOCC1	ZINC001362205703	958928229	/nfs/dbraw/zinc/92/82/29/958928229.db2.gz	OJWNFRWXOYDJLJ-GFCCVEGCSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](C(=O)NC2CC2)C1	ZINC001588536459	958936026	/nfs/dbraw/zinc/93/60/26/958936026.db2.gz	YDDOYRXQRQMADU-ZUZCIYMTSA-N	-1	0	307.350	0.508	20	30		DCEDRM
C[C@H](C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001588547024	959001308	/nfs/dbraw/zinc/00/13/08/959001308.db2.gz	FGNGYNHDVURETF-KXNHARMFSA-N	-1	0	317.349	0.955	20	30		DCEDRM
C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])n1cnc(C#N)n1	ZINC001588556198	959053684	/nfs/dbraw/zinc/05/36/84/959053684.db2.gz	CGTPNMPUQOTABJ-JQWIXIFHSA-N	-1	0	313.317	0.523	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(S(C)(=O)=O)CCC1	ZINC001588556307	959054595	/nfs/dbraw/zinc/05/45/95/959054595.db2.gz	AQLREQUQZAAJJA-LLVKDONJSA-N	-1	0	302.352	0.074	20	30		DCEDRM
CC[C@@H]1CCC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362287571	959075828	/nfs/dbraw/zinc/07/58/28/959075828.db2.gz	OASDYJLXBGROGA-ZYHUDNBSSA-N	-1	0	304.350	0.906	20	30		DCEDRM
CC(C)(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])S(C)(=O)=O	ZINC001588558277	959081823	/nfs/dbraw/zinc/08/18/23/959081823.db2.gz	QYMJYTMLVPIGSR-LBPRGKRZSA-N	-1	0	304.368	0.320	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCN=S1(=O)CCCC1	ZINC001588558423	959086570	/nfs/dbraw/zinc/08/65/70/959086570.db2.gz	UBODRYNELUPKRD-LBPRGKRZSA-N	-1	0	301.368	0.369	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362340529	959174842	/nfs/dbraw/zinc/17/48/42/959174842.db2.gz	OJLUYAVZPYRZSA-HNNXBMFYSA-N	-1	0	315.333	0.363	20	30		DCEDRM
CC1(C)CC[C@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)O1	ZINC001362372154	959233888	/nfs/dbraw/zinc/23/38/88/959233888.db2.gz	CTQBDKXUGHZXJW-LLVKDONJSA-N	-1	0	320.349	0.284	20	30		DCEDRM
CC(C)[C@H]1C[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001362372337	959236275	/nfs/dbraw/zinc/23/62/75/959236275.db2.gz	ZEDOYZRNQBJLAD-VXGBXAGGSA-N	-1	0	320.349	0.140	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1CCN(C(N)=O)C1	ZINC001362426851	959335220	/nfs/dbraw/zinc/33/52/20/959335220.db2.gz	ONNVJTLGCKCDQM-SECBINFHSA-N	-1	0	303.322	0.098	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C	ZINC001362435035	959349962	/nfs/dbraw/zinc/34/99/62/959349962.db2.gz	UFXKIWDAKGLIGO-NEPJUHHUSA-N	-1	0	321.377	0.855	20	30		DCEDRM
CC[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCCO1	ZINC001362463068	959404769	/nfs/dbraw/zinc/40/47/69/959404769.db2.gz	JOQQBJLORQZRKP-NWDGAFQWSA-N	-1	0	320.349	0.284	20	30		DCEDRM
CC[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCCO1	ZINC001362463075	959405795	/nfs/dbraw/zinc/40/57/95/959405795.db2.gz	JOQQBJLORQZRKP-VXGBXAGGSA-N	-1	0	320.349	0.284	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC[C@@H]2CCCCO2)c(=O)[n-]c1=O	ZINC001362525775	959523642	/nfs/dbraw/zinc/52/36/42/959523642.db2.gz	RUKPVMWKDVNXHY-LBPRGKRZSA-N	-1	0	320.349	0.286	20	30		DCEDRM
CC1(C)C(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1(C)C	ZINC001362721705	959890955	/nfs/dbraw/zinc/89/09/55/959890955.db2.gz	HOTTVBPKBJGPLS-UHFFFAOYSA-N	-1	0	304.350	0.619	20	30		DCEDRM
CC[C@H](CC(F)(F)F)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362827339	960048602	/nfs/dbraw/zinc/04/86/02/960048602.db2.gz	YTEOCNCDCHINEO-MRVPVSSYSA-N	-1	0	318.255	0.668	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3ccnc(F)c3)C2)c(=O)[n-]c1=O	ZINC001305589246	960108105	/nfs/dbraw/zinc/10/81/05/960108105.db2.gz	FUJJPMFVBUTAOD-UHFFFAOYSA-N	-1	0	315.264	0.052	20	30		DCEDRM
CCOC(=O)N1CSC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362868530	960111695	/nfs/dbraw/zinc/11/16/95/960111695.db2.gz	YSZLBHVZGFWZFY-SECBINFHSA-N	-1	0	320.334	0.623	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC001312886014	960285544	/nfs/dbraw/zinc/28/55/44/960285544.db2.gz	SSNFVZKXIJEFSU-CYBMUJFWSA-N	-1	0	302.334	0.912	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC001313360565	960299791	/nfs/dbraw/zinc/29/97/91/960299791.db2.gz	CLPGHXMPVPHNDT-UHFFFAOYSA-N	-1	0	320.349	0.394	20	30		DCEDRM
CCCC[C@](C)(CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363128108	960438867	/nfs/dbraw/zinc/43/88/67/960438867.db2.gz	CKKGLEBINYWONH-OAHLLOKOSA-N	-1	0	322.365	0.268	20	30		DCEDRM
CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@@H]1CCC[C@H]1C#N	ZINC001363126441	960440514	/nfs/dbraw/zinc/44/05/14/960440514.db2.gz	BBHSABKQWGTCHO-WCQYABFASA-N	-1	0	311.349	0.839	20	30		DCEDRM
C[C@@H](C#N)N(C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C1CC1	ZINC001363224460	960641320	/nfs/dbraw/zinc/64/13/20/960641320.db2.gz	OALFHSQBZSAPCQ-VIFPVBQESA-N	-1	0	313.317	0.783	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001573769417	960651356	/nfs/dbraw/zinc/65/13/56/960651356.db2.gz	RYZVNCDJGJZPOK-MXWKQRLJSA-N	-1	0	303.384	0.556	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001571079580	960981100	/nfs/dbraw/zinc/98/11/00/960981100.db2.gz	HZZCXAPWVIADLE-UWVGGRQHSA-N	-1	0	303.318	0.574	20	30		DCEDRM
C[C@]1(C#N)CN(C(=O)Nc2cccc(CC(=O)[O-])n2)CCO1	ZINC001571084999	961044028	/nfs/dbraw/zinc/04/40/28/961044028.db2.gz	KATSVOFULHFMAE-AWEZNQCLSA-N	-1	0	304.306	0.855	20	30		DCEDRM
COC(=O)[C@@H]1OCC[C@@H]1NCc1cccc(C(=O)[O-])c1C#N	ZINC001571085028	961044435	/nfs/dbraw/zinc/04/44/35/961044435.db2.gz	KRWGAGZRIWRDMT-QWHCGFSZSA-N	-1	0	304.302	0.677	20	30		DCEDRM
CC(C)[C@@]1(C)C[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363395882	961066032	/nfs/dbraw/zinc/06/60/32/961066032.db2.gz	WKHNZXGSXXEGIS-XHDPSFHLSA-N	-1	0	304.350	0.761	20	30		DCEDRM
Cc1nccn1CCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571087600	961084448	/nfs/dbraw/zinc/08/44/48/961084448.db2.gz	GPJVRSZPBONQDV-UHFFFAOYSA-N	-1	0	305.338	0.592	20	30		DCEDRM
COC[C@@H](NC(=O)Cc1c(C)cc(C#N)cc1C)c1nnn[n-]1	ZINC001363416685	961113378	/nfs/dbraw/zinc/11/33/78/961113378.db2.gz	QAKHDMMDUNVBFN-CYBMUJFWSA-N	-1	0	314.349	0.735	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)[C@H]1CCCOC1	ZINC001363445187	961169382	/nfs/dbraw/zinc/16/93/82/961169382.db2.gz	PKUVZAAHXIHGKS-CMPLNLGQSA-N	-1	0	305.334	0.485	20	30		DCEDRM
CCc1[nH]nc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1C	ZINC001363450929	961183509	/nfs/dbraw/zinc/18/35/09/961183509.db2.gz	RCZRLVRELBLWLR-UHFFFAOYSA-N	-1	0	316.321	0.443	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)c1	ZINC001571106184	961273460	/nfs/dbraw/zinc/27/34/60/961273460.db2.gz	JBOLFKSGJMQNDC-ZDUSSCGKSA-N	-1	0	310.331	0.328	20	30		DCEDRM
C[C@@]1(C#N)CN(C(=O)Nc2nc(CC(=O)[O-])cs2)CCO1	ZINC001571106368	961277559	/nfs/dbraw/zinc/27/75/59/961277559.db2.gz	NOCUKGMTRZUFMQ-GFCCVEGCSA-N	-1	0	310.335	0.917	20	30		DCEDRM
Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)COCC(=O)[O-]	ZINC001571122727	961457041	/nfs/dbraw/zinc/45/70/41/961457041.db2.gz	HUPCIFBVBJWSRA-UHFFFAOYSA-N	-1	0	315.289	0.487	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1	ZINC001332166345	961503489	/nfs/dbraw/zinc/50/34/89/961503489.db2.gz	HPAYYQFNSTTWQB-JOCQHMNTSA-N	-1	0	300.314	0.264	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)C[C@H]1CCCO1	ZINC001363591171	961505752	/nfs/dbraw/zinc/50/57/52/961505752.db2.gz	LSWSBYRTOPRPOO-NWDGAFQWSA-N	-1	0	305.334	0.627	20	30		DCEDRM
N#Cc1c(Cl)cccc1S(=O)(=O)N1CC(O)(C(=O)[O-])C1	ZINC001571131102	961546364	/nfs/dbraw/zinc/54/63/64/961546364.db2.gz	SHMBOMHXKHDCQH-UHFFFAOYSA-N	-1	0	316.722	0.032	20	30		DCEDRM
Cc1ncc2n1CC[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)C2	ZINC001571131426	961555706	/nfs/dbraw/zinc/55/57/06/961555706.db2.gz	GEXDZHPDCSPQLC-LBPRGKRZSA-N	-1	0	316.361	0.971	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H](CO)[C@H]1CO	ZINC001363624203	961568148	/nfs/dbraw/zinc/56/81/48/961568148.db2.gz	OQPSBKPWONMYJQ-CMPLNLGQSA-N	-1	0	305.334	0.173	20	30		DCEDRM
CC(C)n1cc([C@@H](C)Nc2[n-]c(=O)n(C)c(=O)c2C#N)cn1	ZINC001363723915	961766753	/nfs/dbraw/zinc/76/67/53/961766753.db2.gz	BCWRMRKKQMQHTK-SECBINFHSA-N	-1	0	302.338	0.896	20	30		DCEDRM
CCOc1cccc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001363744722	961800680	/nfs/dbraw/zinc/80/06/80/961800680.db2.gz	QWJGMOUAAPJLLA-UHFFFAOYSA-N	-1	0	315.333	0.394	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C2(C3CCC3)CCC2)c(=O)[n-]c1=O	ZINC001364106060	962481075	/nfs/dbraw/zinc/48/10/75/962481075.db2.gz	CLMOETGGLCFISH-UHFFFAOYSA-N	-1	0	316.361	0.907	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Cc2cccs2)c(=O)[n-]c1=O	ZINC001364105287	962482688	/nfs/dbraw/zinc/48/26/88/962482688.db2.gz	AMCCERQCQPDEIK-UHFFFAOYSA-N	-1	0	304.331	0.241	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(C#N)cn2)C1	ZINC001574131692	962541646	/nfs/dbraw/zinc/54/16/46/962541646.db2.gz	PANDKZCKIXRVSH-HNNXBMFYSA-N	-1	0	318.333	0.586	20	30		DCEDRM
COC(=O)C1CCC(Nc2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001364163405	962592075	/nfs/dbraw/zinc/59/20/75/962592075.db2.gz	JYLNCFCWTNWCRN-UHFFFAOYSA-N	-1	0	306.322	0.089	20	30		DCEDRM
C=C(Br)CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573313658	962734836	/nfs/dbraw/zinc/73/48/36/962734836.db2.gz	OHJXWGNHVBESMG-VHSXEESVSA-N	-1	0	317.183	0.760	20	30		DCEDRM
C#Cc1ccccc1CC(=O)NC[C@H](C)NC(=O)CNC(=O)[O-]	ZINC001573313679	962734969	/nfs/dbraw/zinc/73/49/69/962734969.db2.gz	PBRXQCSIXLZOAJ-NSHDSACASA-N	-1	0	317.345	0.099	20	30		DCEDRM
C=C(Br)CN1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)[O-]	ZINC001573313877	962739440	/nfs/dbraw/zinc/73/94/40/962739440.db2.gz	SRHPKOSMGHOMNM-IUCAKERBSA-N	-1	0	318.171	0.448	20	30		DCEDRM
COC(=O)c1cccc(Cn2c(=O)[n-]cc(C#N)c2=O)c1C#N	ZINC001364282251	962810092	/nfs/dbraw/zinc/81/00/92/962810092.db2.gz	CWMQBNGXXBYIPX-UHFFFAOYSA-N	-1	0	310.269	0.115	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)COc2ccc(Cl)cc2)c1=O	ZINC001364285506	962821605	/nfs/dbraw/zinc/82/16/05/962821605.db2.gz	JZRJNBHVBMEHCA-UHFFFAOYSA-N	-1	0	319.704	0.710	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCC(=O)NCCc1ccccc1	ZINC001573333302	962855205	/nfs/dbraw/zinc/85/52/05/962855205.db2.gz	YJZCLQFYDZBMMK-UHFFFAOYSA-N	-1	0	304.346	0.883	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCc2c(=O)[nH]n(C)c2C1	ZINC001364305111	962863623	/nfs/dbraw/zinc/86/36/23/962863623.db2.gz	GRIHVKHOBDRVPR-UHFFFAOYSA-N	-1	0	313.317	0.605	20	30		DCEDRM
C=C(Cl)CN1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573339337	962889795	/nfs/dbraw/zinc/88/97/95/962889795.db2.gz	QMKOCPNFCMLJTJ-WDEREUQCSA-N	-1	0	316.785	0.403	20	30		DCEDRM
C=CCC(CC=C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)[O-]	ZINC001573350129	962964101	/nfs/dbraw/zinc/96/41/01/962964101.db2.gz	COTKTGSICGORNU-IMRBUKKESA-N	-1	0	321.377	0.595	20	30		DCEDRM
C=CCCCC(=O)N(C)C[C@H]1CCN(C(=O)CNC(=O)[O-])C1	ZINC001573356518	963007441	/nfs/dbraw/zinc/00/74/41/963007441.db2.gz	DETXEBZEIGDJSG-GFCCVEGCSA-N	-1	0	311.382	0.917	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)[O-]	ZINC001573367458	963065513	/nfs/dbraw/zinc/06/55/13/963065513.db2.gz	WIMMNVHPNSMGTI-QMMMGPOBSA-N	-1	0	316.335	0.466	20	30		DCEDRM
C=CCN1Cc2ccccc2C[C@@H]1CNC(=O)CNC(=O)[O-]	ZINC001573368580	963083018	/nfs/dbraw/zinc/08/30/18/963083018.db2.gz	OLTXPKGYJWYKLT-CQSZACIVSA-N	-1	0	303.362	0.983	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588435482	964024192	/nfs/dbraw/zinc/02/41/92/964024192.db2.gz	RWAOANCIUMWFHH-LLVKDONJSA-N	-1	0	322.342	0.309	20	30		DCEDRM
C#CCCCCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588439856	964032895	/nfs/dbraw/zinc/03/28/95/964032895.db2.gz	HRZKBVQNOQDWBY-RFQIPJPRSA-N	-1	0	320.389	0.912	20	30		DCEDRM
C#CCCN(CCOC)CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC001588447934	964091297	/nfs/dbraw/zinc/09/12/97/964091297.db2.gz	UKZOPHIJFZIHPQ-UHFFFAOYSA-N	-1	0	310.394	0.862	20	30		DCEDRM
C#CCCN(CCOC)C(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588448045	964092879	/nfs/dbraw/zinc/09/28/79/964092879.db2.gz	WUXQSAATXKOSIX-UHFFFAOYSA-N	-1	0	324.358	0.883	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1cccs1	ZINC001447904743	1013638166	/nfs/dbraw/zinc/63/81/66/1013638166.db2.gz	KTSQKJORUMBUDF-MRVPVSSYSA-N	-1	0	304.331	0.759	20	30		DCEDRM
N#CCCN(Cc1cccnc1)C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC000389314652	968163798	/nfs/dbraw/zinc/16/37/98/968163798.db2.gz	GLBQDMURYDZXGB-LBPRGKRZSA-N	-1	0	302.290	0.553	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1snc(C)c1C#N	ZINC001605448717	1169925074	/nfs/dbraw/zinc/92/50/74/1169925074.db2.gz	GZDFETGDHVXEQG-NXEZZACHSA-N	-1	0	322.390	0.986	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)nc1)C(=O)[O-]	ZINC000274929552	970312904	/nfs/dbraw/zinc/31/29/04/970312904.db2.gz	CDFGJWJSYJLDBR-SECBINFHSA-N	-1	0	302.739	0.631	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1	ZINC001609693112	970453872	/nfs/dbraw/zinc/45/38/72/970453872.db2.gz	VJXUFSJQLQATGA-WFASDCNBSA-N	-1	0	317.301	0.854	20	30		DCEDRM
COC[C@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)[C@@H]1CCCO1	ZINC001448686598	1013996408	/nfs/dbraw/zinc/99/64/08/1013996408.db2.gz	XTRBBWCEISUSCO-RYUDHWBXSA-N	-1	0	305.334	0.891	20	30		DCEDRM
CN(CCc1cccc(C#N)c1)C(=O)c1cn(CC(=O)[O-])nn1	ZINC001604180389	972601570	/nfs/dbraw/zinc/60/15/70/972601570.db2.gz	IXAOZKLVTMVESW-UHFFFAOYSA-N	-1	0	313.317	0.549	20	30		DCEDRM
Cc1c(C(=O)NCC2(C(=O)[O-])CCOCC2)cnn1CCC#N	ZINC001605076539	972705331	/nfs/dbraw/zinc/70/53/31/972705331.db2.gz	FTGUICFIRKLXGJ-UHFFFAOYSA-N	-1	0	320.349	0.716	20	30		DCEDRM
Cc1cc(C(=O)OCc2cn(CC(=O)[O-])nn2)ncc1C#N	ZINC001605140052	972807986	/nfs/dbraw/zinc/80/79/86/972807986.db2.gz	BHGANZSYILMQMI-UHFFFAOYSA-N	-1	0	301.262	0.295	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(c1c(C#N)cnn1C)C[C@@H]2C(=O)[O-]	ZINC001604289401	972885444	/nfs/dbraw/zinc/88/54/44/972885444.db2.gz	HTHKHLJJLDHTEI-QMJNDHNRSA-N	-1	0	318.333	0.382	20	30		DCEDRM
COC(=O)c1c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])nc2n1CCC2	ZINC001604365803	973060859	/nfs/dbraw/zinc/06/08/59/973060859.db2.gz	CBSXXXKFSPRDPW-CQSZACIVSA-N	-1	0	320.305	0.559	20	30		DCEDRM
Cc1ccc(Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)cc1C	ZINC001605282107	973078079	/nfs/dbraw/zinc/07/80/79/973078079.db2.gz	JKMVRQFPOLHJAR-UHFFFAOYSA-N	-1	0	313.313	0.631	20	30		DCEDRM
O=C([O-])CCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O	ZINC001606097902	973272665	/nfs/dbraw/zinc/27/26/65/973272665.db2.gz	PFDRBFVKNGULSF-UHFFFAOYSA-N	-1	0	320.301	0.755	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1CC(Nc2cccc(C#N)c2)C1	ZINC001604450368	973274872	/nfs/dbraw/zinc/27/48/72/973274872.db2.gz	HBJGUEOGGDQGDM-OAHLLOKOSA-N	-1	0	303.318	0.671	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(C#N)n2)C1	ZINC001604533401	973491789	/nfs/dbraw/zinc/49/17/89/973491789.db2.gz	HHUBXUWYAFHOSD-CQSZACIVSA-N	-1	0	304.306	0.908	20	30		DCEDRM
N#CCCCCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001605582054	973863810	/nfs/dbraw/zinc/86/38/10/973863810.db2.gz	SLISWYMSSPHHGL-UHFFFAOYSA-N	-1	0	302.352	0.076	20	30		DCEDRM
N#CCN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C1CCCC1	ZINC001605586315	973880732	/nfs/dbraw/zinc/88/07/32/973880732.db2.gz	SUJLNXGUKMKAIA-GFCCVEGCSA-N	-1	0	307.350	0.604	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)nc1	ZINC001605601776	973907546	/nfs/dbraw/zinc/90/75/46/973907546.db2.gz	CIGHSBDFEVIEGQ-UHFFFAOYSA-N	-1	0	324.296	0.906	20	30		DCEDRM
CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@](COC)(C(=O)[O-])C1	ZINC001604002826	974505310	/nfs/dbraw/zinc/50/53/10/974505310.db2.gz	FRLSLQCRUBVIMM-HFAKWTLXSA-N	-1	0	319.365	0.853	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)cc1	ZINC001549305961	1014214719	/nfs/dbraw/zinc/21/47/19/1014214719.db2.gz	MUDLPDAWKQOXKR-XJKSGUPXSA-N	-1	0	318.329	0.840	20	30		DCEDRM
C[C@H](CCO)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001592530318	978395736	/nfs/dbraw/zinc/39/57/36/978395736.db2.gz	PDWJCJXUUWEBTM-SECBINFHSA-N	-1	0	312.347	0.553	20	30		DCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2c[n-]n(CC)c2=O)n1CCOC	ZINC001522998418	1014510670	/nfs/dbraw/zinc/51/06/70/1014510670.db2.gz	KVRUTVLHZGLUAX-LLVKDONJSA-N	-1	0	318.381	0.971	20	30		DCEDRM
CC[C@@H](CNC(=O)C#CC1CC1)Nc1ncc(C(=O)[O-])cn1	ZINC001595131084	979547528	/nfs/dbraw/zinc/54/75/28/979547528.db2.gz	JLWFAXDGTVCIIV-LBPRGKRZSA-N	-1	0	302.334	0.895	20	30		DCEDRM
CC[C@@H](CNS(C)(=O)=O)Nc1ccc(C(=O)[O-])nc1C#N	ZINC001595172849	979746931	/nfs/dbraw/zinc/74/69/31/979746931.db2.gz	ROJJOYJSWDCHFF-QMMMGPOBSA-N	-1	0	312.351	0.391	20	30		DCEDRM
CC[C@@H](O)CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001595330765	980568019	/nfs/dbraw/zinc/56/80/19/980568019.db2.gz	XUWXAVIMAAWNMM-SNVBAGLBSA-N	-1	0	312.347	0.696	20	30		DCEDRM
CCCC(=O)N1CCC[C@H](C(=O)N(CC#N)CCC(=O)[O-])C1	ZINC001595522872	981345501	/nfs/dbraw/zinc/34/55/01/981345501.db2.gz	WGSYEJHYPTYQCJ-LBPRGKRZSA-N	-1	0	309.366	0.852	20	30		DCEDRM
CC[C@H](C(=O)[O-])C(=O)N1CCN(c2ncccc2C#N)CC1	ZINC001594745530	981632718	/nfs/dbraw/zinc/63/27/18/981632718.db2.gz	VESGCEXDDNWIHU-LBPRGKRZSA-N	-1	0	302.334	0.713	20	30		DCEDRM
CCCC[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H](C)C#N	ZINC001595633233	981867733	/nfs/dbraw/zinc/86/77/33/981867733.db2.gz	FYTNMOHFZZJKPE-WDEREUQCSA-N	-1	0	319.365	0.843	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ncc(Br)cn1	ZINC001524037038	1014830754	/nfs/dbraw/zinc/83/07/54/1014830754.db2.gz	HMENFRGIZXEGQD-QMMMGPOBSA-N	-1	0	309.123	0.840	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)COC(=O)c1ccnc(C#N)c1)C(=O)[O-]	ZINC001594905557	982385513	/nfs/dbraw/zinc/38/55/13/982385513.db2.gz	SAFJPGQHSRWJOZ-ZANVPECISA-N	-1	0	319.317	0.726	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001588368983	983309866	/nfs/dbraw/zinc/30/98/66/983309866.db2.gz	XKMFEAGJLFYPEE-NSHDSACASA-N	-1	0	317.345	0.915	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])[C@H]1CCCO1	ZINC001588377907	983360173	/nfs/dbraw/zinc/36/01/73/983360173.db2.gz	RUROXFARDSJEMB-ZIAGYGMSSA-N	-1	0	323.370	0.985	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)C1	ZINC001588382175	983369307	/nfs/dbraw/zinc/36/93/07/983369307.db2.gz	IOJHMNRDEYTZRR-WBMJQRKESA-N	-1	0	306.362	0.572	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001588382388	983370736	/nfs/dbraw/zinc/37/07/36/983370736.db2.gz	OGEKOIDWCSICDI-MLGOLLRUSA-N	-1	0	306.362	0.714	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1	ZINC001588389817	983388877	/nfs/dbraw/zinc/38/88/77/983388877.db2.gz	BKPGOVLCAXGVRT-BFQNTYOBSA-N	-1	0	324.377	0.100	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588393470	983398153	/nfs/dbraw/zinc/39/81/53/983398153.db2.gz	GGKWXLZNAZPNLE-ABAIWWIYSA-N	-1	0	323.349	0.430	20	30		DCEDRM
C#CC[C@@H](CCOC)Nc1cc(C)nc2nc(C(=O)[O-])nn21	ZINC001588396443	983408423	/nfs/dbraw/zinc/40/84/23/983408423.db2.gz	WRZRTIXLVUQVQM-JTQLQIEISA-N	-1	0	303.322	0.971	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@]1(C(=O)OC(C)(C)C)CCCO1)C(=O)[O-]	ZINC001588398056	983410595	/nfs/dbraw/zinc/41/05/95/983410595.db2.gz	BTFAQRDFZUQFME-MEBBXXQBSA-N	-1	0	311.334	0.470	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@]1(C)Oc2ccccc2NC1=O)C(=O)[O-]	ZINC001588399436	983415857	/nfs/dbraw/zinc/41/58/57/983415857.db2.gz	UTCJYNNKZXFVNV-BONVTDFDSA-N	-1	0	302.286	0.369	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)C(=O)[O-]	ZINC001588406108	983424219	/nfs/dbraw/zinc/42/42/19/983424219.db2.gz	MBVHLJPRPHFHOW-IUCAKERBSA-N	-1	0	309.347	0.440	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)C(=O)[O-]	ZINC001588406680	983426042	/nfs/dbraw/zinc/42/60/42/983426042.db2.gz	SGBWCBJYOBFNHI-QWRGUYRKSA-N	-1	0	322.361	0.836	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CSCN1C(=O)OCC)C(=O)[O-]	ZINC001588407026	983427360	/nfs/dbraw/zinc/42/73/60/983427360.db2.gz	URLCIHBFPMBBPP-RKDXNWHRSA-N	-1	0	300.336	0.111	20	30		DCEDRM
C#CC[C@H](NC(=O)c1c(C)nn(C)c1-n1cc(C)cn1)C(=O)[O-]	ZINC001588413653	983431857	/nfs/dbraw/zinc/43/18/57/983431857.db2.gz	FDUZYCZAKXOZSY-NSHDSACASA-N	-1	0	315.333	0.429	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)CCc1ccc2c(c1)CCO2)C(=O)[O-]	ZINC001588424314	983455242	/nfs/dbraw/zinc/45/52/42/983455242.db2.gz	VKQMOJYUDVAUIP-ZDUSSCGKSA-N	-1	0	323.370	0.560	20	30		DCEDRM
C#CCC1(O)CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1	ZINC001588430692	983463696	/nfs/dbraw/zinc/46/36/96/983463696.db2.gz	BFFKDUXQTFVDFX-UHFFFAOYSA-N	-1	0	303.380	0.277	20	30		DCEDRM
C#CCC1(O)CCN(c2nnnn2[C@@H]2CC=C(C(=O)[O-])C2)CC1	ZINC001588431087	983464571	/nfs/dbraw/zinc/46/45/71/983464571.db2.gz	GIPYCOJWFSXZHX-GFCCVEGCSA-N	-1	0	317.349	0.374	20	30		DCEDRM
C#CCCN1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)CC1	ZINC001588453831	983477872	/nfs/dbraw/zinc/47/78/72/983477872.db2.gz	XUFXIFUSTOBNFD-UHFFFAOYSA-N	-1	0	316.361	0.359	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001588464793	983494653	/nfs/dbraw/zinc/49/46/53/983494653.db2.gz	LNGREWFCPCTQGM-UHFFFAOYSA-N	-1	0	314.297	0.427	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C(=O)[O-])no1	ZINC001588465876	983497006	/nfs/dbraw/zinc/49/70/06/983497006.db2.gz	LJKJFVGMIWFOFW-UHFFFAOYSA-N	-1	0	308.290	0.790	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1	ZINC001588477320	983515367	/nfs/dbraw/zinc/51/53/67/983515367.db2.gz	YDCSBFBANVBFMQ-MELADBBJSA-N	-1	0	307.394	0.836	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1	ZINC001588523588	983572920	/nfs/dbraw/zinc/57/29/20/983572920.db2.gz	PJKFQFFHXAVBIG-MRXNPFEDSA-N	-1	0	316.313	0.356	20	30		DCEDRM
C#Cc1ccccc1CC(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001588528951	983579034	/nfs/dbraw/zinc/57/90/34/983579034.db2.gz	MSIQBZSHWKYTNW-UHFFFAOYSA-N	-1	0	302.330	0.308	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(-n2cncn2)nc1)C(=O)[O-]	ZINC001588546335	983615181	/nfs/dbraw/zinc/61/51/81/983615181.db2.gz	HFOLZODLBOAABP-LLVKDONJSA-N	-1	0	301.306	0.812	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1cccc(OCC(N)=O)c1)C(=O)[O-]	ZINC001588547637	983621239	/nfs/dbraw/zinc/62/12/39/983621239.db2.gz	FMQJUJQSZLEWDP-GFCCVEGCSA-N	-1	0	306.318	0.700	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001596229837	983622564	/nfs/dbraw/zinc/62/25/64/983622564.db2.gz	KVWIOTLTVVSZJE-QMMMGPOBSA-N	-1	0	307.310	0.065	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001588548709	983625270	/nfs/dbraw/zinc/62/52/70/983625270.db2.gz	XFTGXIZMAZBXRO-LBPRGKRZSA-N	-1	0	320.349	0.464	20	30		DCEDRM
C=C(C)Cn1c(CCO)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588598237	983682552	/nfs/dbraw/zinc/68/25/52/983682552.db2.gz	WHFTUVXLBCOIEI-VXGBXAGGSA-N	-1	0	308.382	0.936	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588599200	983688558	/nfs/dbraw/zinc/68/85/58/983688558.db2.gz	IJXVIRSKRFSKOW-WISYIIOYSA-N	-1	0	311.334	0.300	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](S(C)(=O)=O)CC1	ZINC001588615481	983712326	/nfs/dbraw/zinc/71/23/26/983712326.db2.gz	VYDKEBYOMQBROT-NSHDSACASA-N	-1	0	303.380	0.833	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CSC[C@H]1C(=O)N(C)C1CC1	ZINC001588619237	983715442	/nfs/dbraw/zinc/71/54/42/983715442.db2.gz	OURCHZDVVRPUJG-NSHDSACASA-N	-1	0	312.391	0.930	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nnnn1-c1ccccc1	ZINC001588630734	983745917	/nfs/dbraw/zinc/74/59/17/983745917.db2.gz	ZPLMEOIGANZJRZ-UHFFFAOYSA-N	-1	0	301.306	0.700	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cccc(NS(N)(=O)=O)c1	ZINC001588634323	983753029	/nfs/dbraw/zinc/75/30/29/983753029.db2.gz	UOWLYWQCRNKVBT-UHFFFAOYSA-N	-1	0	313.335	0.662	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cncc(C#N)n1	ZINC001596333178	983771661	/nfs/dbraw/zinc/77/16/61/983771661.db2.gz	NSIBFEBGHKJKNJ-QWRGUYRKSA-N	-1	0	303.322	0.011	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@H](C)CCNc1ccnc(C(=O)[O-])n1	ZINC001588684243	983856525	/nfs/dbraw/zinc/85/65/25/983856525.db2.gz	NSVMNHOQHHXYTL-BMIGLBTASA-N	-1	0	322.365	0.231	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCC[C@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588684434	983859683	/nfs/dbraw/zinc/85/96/83/983859683.db2.gz	QTUNKLLYAJXKCP-BONVTDFDSA-N	-1	0	322.365	0.231	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001588692915	983888160	/nfs/dbraw/zinc/88/81/60/983888160.db2.gz	MRALUNDDXMSWGL-MRVPVSSYSA-N	-1	0	310.281	0.780	20	30		DCEDRM
C=C[C@H](Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(=O)[O-]	ZINC001588702331	983920013	/nfs/dbraw/zinc/92/00/13/983920013.db2.gz	QIGIINNPWWSXQE-GVXVVHGQSA-N	-1	0	322.365	0.570	20	30		DCEDRM
C=CC[C@@H](OC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-]	ZINC001588753789	984088849	/nfs/dbraw/zinc/08/88/49/984088849.db2.gz	NJDBMNXQSHQSJI-VHSXEESVSA-N	-1	0	305.352	0.373	20	30		DCEDRM
CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC1	ZINC001596436673	984122971	/nfs/dbraw/zinc/12/29/71/984122971.db2.gz	ZUXDITIRGIISLT-UHFFFAOYSA-N	-1	0	323.374	0.583	20	30		DCEDRM
C=CCC1(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CCOCC1	ZINC001588767212	984129030	/nfs/dbraw/zinc/12/90/30/984129030.db2.gz	PCJFJMNNJOTLEL-GFCCVEGCSA-N	-1	0	324.377	0.551	20	30		DCEDRM
C=CCC1(NS(=O)(=O)CC2(C(=O)[O-])CC2)CCOCC1	ZINC001588768904	984131707	/nfs/dbraw/zinc/13/17/07/984131707.db2.gz	HGWNAEJZHZVDPC-UHFFFAOYSA-N	-1	0	303.380	0.896	20	30		DCEDRM
C=CCCC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)[C@H]1C	ZINC001588774147	984151497	/nfs/dbraw/zinc/15/14/97/984151497.db2.gz	UXDBMMPCOBUSES-GHMZBOCLSA-N	-1	0	304.350	0.964	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)Cc1noc(C)n1)C(=O)[O-]	ZINC001588797915	984232105	/nfs/dbraw/zinc/23/21/05/984232105.db2.gz	NNWFDUIANYAVJA-VIFPVBQESA-N	-1	0	303.340	0.607	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1	ZINC001588808820	984263685	/nfs/dbraw/zinc/26/36/85/984263685.db2.gz	NSZSNCQPCUWURZ-LLVKDONJSA-N	-1	0	313.350	0.834	20	30		DCEDRM
C=CCCOCCCCC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-]	ZINC001588810277	984265730	/nfs/dbraw/zinc/26/57/30/984265730.db2.gz	GYMKUYGQPGCOKF-LBPRGKRZSA-N	-1	0	312.366	0.503	20	30		DCEDRM
C=CCCn1cc(C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)nn1	ZINC001588817202	984275215	/nfs/dbraw/zinc/27/52/15/984275215.db2.gz	DOFWGRMCSOENEB-VIFPVBQESA-N	-1	0	320.309	0.448	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])n(C)n2)C1=O	ZINC001588837302	984333751	/nfs/dbraw/zinc/33/37/51/984333751.db2.gz	XWOSTLGFFACQID-VIFPVBQESA-N	-1	0	321.337	0.369	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)n1cc(CN2CCCC[C@H]2C(=O)[O-])nn1	ZINC001588838283	984336341	/nfs/dbraw/zinc/33/63/41/984336341.db2.gz	CYJNFWHNTBQIRF-YPMHNXCESA-N	-1	0	321.381	0.580	20	30		DCEDRM
C=CCOCC(=O)N1C[C@H](Nc2ccnc(C(=O)[O-])n2)C[C@@H]1C	ZINC001588849927	984376782	/nfs/dbraw/zinc/37/67/82/984376782.db2.gz	PJBHOOZSQUUFTF-WDEREUQCSA-N	-1	0	320.349	0.201	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)C(=O)[O-]	ZINC001588851190	984383613	/nfs/dbraw/zinc/38/36/13/984383613.db2.gz	XTOOSOVKASGLJP-SMDDNHRTSA-N	-1	0	300.355	0.309	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCn1c(C)csc1=O)C(=O)[O-]	ZINC001588853590	984384269	/nfs/dbraw/zinc/38/42/69/984384269.db2.gz	BOZWZDARQOJQRX-JTQLQIEISA-N	-1	0	314.363	0.380	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@]1(C2CCCC2)CCNC1=O)C(=O)[O-]	ZINC001588856341	984398774	/nfs/dbraw/zinc/39/87/74/984398774.db2.gz	YETUHAGMHLBAJW-MLGOLLRUSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)C(=O)[O-]	ZINC001588856817	984402015	/nfs/dbraw/zinc/40/20/15/984402015.db2.gz	QQWNYNNQMQPXIL-LLVKDONJSA-N	-1	0	309.322	0.114	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cn2nccc2nc1C)C(=O)[O-]	ZINC001588859981	984409734	/nfs/dbraw/zinc/40/97/34/984409734.db2.gz	DNYMANXCDUUAJZ-LLVKDONJSA-N	-1	0	304.306	0.423	20	30		DCEDRM
C=CCOCCCNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588866910	984428851	/nfs/dbraw/zinc/42/88/51/984428851.db2.gz	TXPIGJOKAUDPHM-CQSZACIVSA-N	-1	0	311.338	0.594	20	30		DCEDRM
C=CCn1c(-c2c[nH]cn2)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588889919	984482405	/nfs/dbraw/zinc/48/24/05/984482405.db2.gz	HEPRLELAKBKRPM-ZDUSSCGKSA-N	-1	0	306.301	0.857	20	30		DCEDRM
C=CCn1c(-c2c[nH]cn2)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588889918	984482631	/nfs/dbraw/zinc/48/26/31/984482631.db2.gz	HEPRLELAKBKRPM-CYBMUJFWSA-N	-1	0	306.301	0.857	20	30		DCEDRM
C=CCn1c([C@@H](O)CC)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588896148	984499135	/nfs/dbraw/zinc/49/91/35/984499135.db2.gz	QCTSOXWCPPUMPY-IINYFYTJSA-N	-1	0	310.354	0.587	20	30		DCEDRM
C=CCn1c([C@H](O)C(C)C)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588896912	984505683	/nfs/dbraw/zinc/50/56/83/984505683.db2.gz	VPEWIZZROLLXSO-ABAIWWIYSA-N	-1	0	324.381	0.833	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F	ZINC001588920201	984576189	/nfs/dbraw/zinc/57/61/89/984576189.db2.gz	WTGZQPNIUXKOKH-SECBINFHSA-N	-1	0	303.311	0.658	20	30		DCEDRM
CC#CCNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001588932309	984607106	/nfs/dbraw/zinc/60/71/06/984607106.db2.gz	QSDGNIMHOBWPAI-UHFFFAOYSA-N	-1	0	303.318	0.575	20	30		DCEDRM
C/C(=C/Cn1cc(CN2CCOCC2)cc(C#N)c1=O)C(=O)[O-]	ZINC001588996113	984930923	/nfs/dbraw/zinc/93/09/23/984930923.db2.gz	ZUDHAIOBSCUJMT-OIXVIMQBSA-N	-1	0	317.345	0.583	20	30		DCEDRM
C[C@H]1CN(C(=O)Nc2ccn(CCC#N)n2)C[C@@H](C(=O)[O-])O1	ZINC001599924057	985176353	/nfs/dbraw/zinc/17/63/53/985176353.db2.gz	HAMXCKIXBGNRGI-UWVGGRQHSA-N	-1	0	307.310	0.503	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CF)C(=O)[O-]	ZINC001599940328	985446620	/nfs/dbraw/zinc/44/66/20/985446620.db2.gz	GHHKYNNZHWYRHB-NSHDSACASA-N	-1	0	309.297	0.747	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001599942930	985477983	/nfs/dbraw/zinc/47/79/83/985477983.db2.gz	WZPVKGKMPDLWSH-NSHDSACASA-N	-1	0	304.306	0.000	20	30		DCEDRM
C[C@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)CCCCC#N	ZINC001594525748	986040549	/nfs/dbraw/zinc/04/05/49/986040549.db2.gz	OGETWGGQUDKMPK-LBPRGKRZSA-N	-1	0	317.411	0.491	20	30		DCEDRM
C[C@@H](C#N)C(=O)N(C)[C@H](CNc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001589324150	986154234	/nfs/dbraw/zinc/15/42/34/986154234.db2.gz	WJSUEKPNKZNEMG-GXSJLCMTSA-N	-1	0	317.349	0.405	20	30		DCEDRM
C[C@H](C#N)C(=O)NCC1=CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001589328563	986157677	/nfs/dbraw/zinc/15/76/77/986157677.db2.gz	CJLMKSNLHMABPO-SNVBAGLBSA-N	-1	0	315.333	0.587	20	30		DCEDRM
C[C@H](C(=O)NCc1ccnc(C(=O)[O-])c1)n1cnc(C#N)n1	ZINC001589414472	986632848	/nfs/dbraw/zinc/63/28/48/986632848.db2.gz	BVUDNCVCSVHODU-MRVPVSSYSA-N	-1	0	300.278	0.120	20	30		DCEDRM
C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cn1)n1cnc(C#N)n1	ZINC001589414459	986633096	/nfs/dbraw/zinc/63/30/96/986633096.db2.gz	ICBRRLJEYSUPLG-QMMMGPOBSA-N	-1	0	300.278	0.120	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCC2(F)CCC2)c(=O)[n-]c1=O	ZINC001450667308	1015285023	/nfs/dbraw/zinc/28/50/23/1015285023.db2.gz	BCKOFZGOCIGEAT-UHFFFAOYSA-N	-1	0	308.313	0.609	20	30		DCEDRM
CCc1nc(C#N)cc(NCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])n1	ZINC001597646553	988668025	/nfs/dbraw/zinc/66/80/25/988668025.db2.gz	CKSBNYAFLQOYGE-GHMZBOCLSA-N	-1	0	317.349	0.502	20	30		DCEDRM
CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001598364941	991511160	/nfs/dbraw/zinc/51/11/60/991511160.db2.gz	SETZAFJFZDFQSQ-AWEZNQCLSA-N	-1	0	324.358	0.617	20	30		DCEDRM
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001598436937	991836016	/nfs/dbraw/zinc/83/60/16/991836016.db2.gz	LCRWQGZSFXSHLI-MCIONIFRSA-N	-1	0	318.329	0.682	20	30		DCEDRM
CS(=O)(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001599746639	991937365	/nfs/dbraw/zinc/93/73/65/991937365.db2.gz	LQFCWGODDPZIQO-VIFPVBQESA-N	-1	0	309.347	0.665	20	30		DCEDRM
CS(=O)(=O)Cc1nc(CN(CC#N)CCC(=O)[O-])cs1	ZINC001599753452	992021056	/nfs/dbraw/zinc/02/10/56/992021056.db2.gz	QYWJNUAVADCMNF-UHFFFAOYSA-N	-1	0	317.392	0.488	20	30		DCEDRM
CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc(F)c(C#N)c2)CC1=O	ZINC001598561781	993095066	/nfs/dbraw/zinc/09/50/66/993095066.db2.gz	DPWITTVBDSSZQK-LLVKDONJSA-N	-1	0	305.265	0.065	20	30		DCEDRM
CN1C[C@@H](CCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1=O	ZINC001598566524	993151746	/nfs/dbraw/zinc/15/17/46/993151746.db2.gz	XHAHXNSZHDWPBZ-NSHDSACASA-N	-1	0	322.365	0.255	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](CNC(=O)[C@H](C)C#N)C(C)C)c1[O-]	ZINC001399613306	993609392	/nfs/dbraw/zinc/60/93/92/993609392.db2.gz	JBHCTYWXXKQROC-PSASIEDQSA-N	-1	0	307.354	0.454	20	30		DCEDRM
COc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c(C)c1F	ZINC001599607987	993913095	/nfs/dbraw/zinc/91/30/95/993913095.db2.gz	QDTHHTAELBXJNF-UHFFFAOYSA-N	-1	0	316.310	0.742	20	30		DCEDRM
C[C@H](N[C@H](Cc1cncs1)C(=O)[O-])C(=O)N(C)CCC#N	ZINC001593211333	994265158	/nfs/dbraw/zinc/26/51/58/994265158.db2.gz	WRVSYNGESVXXFR-GXSJLCMTSA-N	-1	0	310.379	0.489	20	30		DCEDRM
C[C@@](O)(CNC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001593400409	995156546	/nfs/dbraw/zinc/15/65/46/995156546.db2.gz	AQDQWAIYCRBVLS-CQSZACIVSA-N	-1	0	308.359	0.743	20	30		DCEDRM
CO[N-]C(=O)CNS(=O)(=O)c1cc(C#N)ccc1Cl	ZINC001464699309	1015938575	/nfs/dbraw/zinc/93/85/75/1015938575.db2.gz	XBNIHZMVNSFRPM-UHFFFAOYSA-N	-1	0	303.727	0.168	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001396407869	995371776	/nfs/dbraw/zinc/37/17/76/995371776.db2.gz	YMARRRWYDYWVNO-NQMVMOMDSA-N	-1	0	305.338	0.160	20	30		DCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-]	ZINC001593486274	995450988	/nfs/dbraw/zinc/45/09/88/995450988.db2.gz	YBZYFGFVUWMPEF-VHSXEESVSA-N	-1	0	320.301	0.458	20	30		DCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001593641681	995954286	/nfs/dbraw/zinc/95/42/86/995954286.db2.gz	YLHXXRFBIREZLT-MPKXVKKWSA-N	-1	0	318.329	0.931	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1	ZINC001593739299	996352306	/nfs/dbraw/zinc/35/23/06/996352306.db2.gz	FSZVSWJWMGNBHD-LRDDRELGSA-N	-1	0	321.377	0.756	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C1	ZINC001593740601	996357603	/nfs/dbraw/zinc/35/76/03/996357603.db2.gz	SKSQODGVHDDDSC-QKFMDRJYSA-N	-1	0	307.350	0.508	20	30		DCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)c2scnc2C(=O)[O-])CCO1	ZINC001593743087	996365460	/nfs/dbraw/zinc/36/54/60/996365460.db2.gz	IZHSTDAXPNXRMJ-SNVBAGLBSA-N	-1	0	317.348	0.144	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2ccc(Cl)c(C#N)n2)C[C@@H]1C(=O)[O-]	ZINC001598826276	996386305	/nfs/dbraw/zinc/38/63/05/996386305.db2.gz	HWTSKGXHUUNYQU-JGVFFNPUSA-N	-1	0	309.709	0.917	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1S(=O)(=O)NCC1(C#N)CC1	ZINC001599383231	996896110	/nfs/dbraw/zinc/89/61/10/996896110.db2.gz	DTHDIOQBOKTWPL-UHFFFAOYSA-N	-1	0	310.331	0.975	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)o2)C1	ZINC001599078627	996940614	/nfs/dbraw/zinc/94/06/14/996940614.db2.gz	IGPGQEJZFNEXHE-NSHDSACASA-N	-1	0	300.292	0.015	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(Cn2cc3c(c(C#N)c2=O)CCC3)C1	ZINC001599078777	996944973	/nfs/dbraw/zinc/94/49/73/996944973.db2.gz	KTKSOLNKOCSQPN-INIZCTEOSA-N	-1	0	317.345	0.342	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)COc1ccc(C#N)cc1	ZINC001598890347	996980900	/nfs/dbraw/zinc/98/09/00/996980900.db2.gz	MREABUSBQSTUQT-GFCCVEGCSA-N	-1	0	320.301	0.460	20	30		DCEDRM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC(C)(C#N)C1	ZINC001599502030	997140664	/nfs/dbraw/zinc/14/06/64/997140664.db2.gz	XFCQICLPAHOHJD-UHFFFAOYSA-N	-1	0	310.331	0.928	20	30		DCEDRM
CO[C@H]1CN(C(=O)c2ncc(C#N)cc2C)[C@](C)(C(=O)[O-])C1	ZINC001599129625	997917991	/nfs/dbraw/zinc/91/79/91/997917991.db2.gz	FKPZHDFHIKSIDE-ABAIWWIYSA-N	-1	0	303.318	0.966	20	30		DCEDRM
N#CC1(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CC2(CC2)C1	ZINC001467456366	1016170471	/nfs/dbraw/zinc/17/04/71/1016170471.db2.gz	RAZWMIUXFYINTP-UHFFFAOYSA-N	-1	0	302.338	0.094	20	30		DCEDRM
CO[C@@H]1CN(C(=O)c2cnn(CCC#N)c2C)[C@](C)(C(=O)[O-])C1	ZINC001599133137	997987279	/nfs/dbraw/zinc/98/72/79/997987279.db2.gz	KSSWNXZXLSWOHK-NHYWBVRUSA-N	-1	0	320.349	0.809	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001599349270	998065726	/nfs/dbraw/zinc/06/57/26/998065726.db2.gz	MFWKMOKQJRPCLE-AAEUAGOBSA-N	-1	0	304.302	0.617	20	30		DCEDRM
COCC(=O)N(C)CC(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001599141183	998132971	/nfs/dbraw/zinc/13/29/71/998132971.db2.gz	KEAZOUXADNCSOQ-UHFFFAOYSA-N	-1	0	320.301	0.404	20	30		DCEDRM
C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)[C@@H]1C	ZINC001594376217	999418940	/nfs/dbraw/zinc/41/89/40/999418940.db2.gz	FAGFTOLEGKSEHW-VXGBXAGGSA-N	-1	0	321.377	0.850	20	30		DCEDRM
CCO[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CCOCC1	ZINC001469568326	1016345788	/nfs/dbraw/zinc/34/57/88/1016345788.db2.gz	ZXNAWAXXAQOKEV-LBPRGKRZSA-N	-1	0	303.322	0.923	20	30		DCEDRM
C#CCO[N-]C(=O)C1(C2(O)CN(C(=O)OC(C)(C)C)C2)CCC1	ZINC001470045369	1016383607	/nfs/dbraw/zinc/38/36/07/1016383607.db2.gz	QVIQEGWVIRWJPZ-UHFFFAOYSA-N	-1	0	324.377	0.820	20	30		DCEDRM
CO[C@H]1CCC[C@@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001418536234	1000324183	/nfs/dbraw/zinc/32/41/83/1000324183.db2.gz	KMFKXBCVHJDCCY-PWSUYJOCSA-N	-1	0	320.349	0.142	20	30		DCEDRM
CC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCC(=O)CC1	ZINC001470361918	1016425109	/nfs/dbraw/zinc/42/51/09/1016425109.db2.gz	ZZXBJGDPYOXLMK-UHFFFAOYSA-N	-1	0	318.333	0.086	20	30		DCEDRM
C[C@H](NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001470488162	1016440031	/nfs/dbraw/zinc/44/00/31/1016440031.db2.gz	KSCSKPWPFMONQL-JTQLQIEISA-N	-1	0	319.365	0.698	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@@H](O)c2c[nH]cn2)cc1C#N	ZINC001419578739	1001153934	/nfs/dbraw/zinc/15/39/34/1001153934.db2.gz	FRJSJOATWYVTMJ-SNVBAGLBSA-N	-1	0	319.346	0.567	20	30		DCEDRM
C#CCN1CCN(C(=O)c2ncc(Br)cc2[O-])CC1	ZINC001470909375	1016500757	/nfs/dbraw/zinc/50/07/57/1016500757.db2.gz	ZUEZFCMRRXFQPF-UHFFFAOYSA-N	-1	0	324.178	0.941	20	30		DCEDRM
C[C@@H]1CC=CC[C@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001471569810	1016600909	/nfs/dbraw/zinc/60/09/09/1016600909.db2.gz	AMYXDICEGMVSPZ-ZYHUDNBSSA-N	-1	0	317.349	0.474	20	30		DCEDRM
CC(C)(CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001472144211	1016746345	/nfs/dbraw/zinc/74/63/45/1016746345.db2.gz	ADVBTAWZOVHWQR-UHFFFAOYSA-N	-1	0	304.350	0.763	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H](NC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001427644703	1004508105	/nfs/dbraw/zinc/50/81/05/1004508105.db2.gz	MQXXDEJGSUJLJG-WPRPVWTQSA-N	-1	0	305.338	0.304	20	30		DCEDRM
CN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1nnn[n-]1	ZINC001417565849	1005844609	/nfs/dbraw/zinc/84/46/09/1005844609.db2.gz	CSEZOLNPPBJLIO-SNVBAGLBSA-N	-1	0	311.305	0.087	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417612846	1005851456	/nfs/dbraw/zinc/85/14/56/1005851456.db2.gz	IHCPRBZELDMXQA-SNVBAGLBSA-N	-1	0	303.322	0.219	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](C)c1nncn1C	ZINC001417717228	1005875078	/nfs/dbraw/zinc/87/50/78/1005875078.db2.gz	NKDDYDNVHUJSJQ-VIFPVBQESA-N	-1	0	300.322	0.629	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H]2C[C@H](c3ccccc3)C2)c(=O)[n-]c1=O	ZINC001417732359	1005878312	/nfs/dbraw/zinc/87/83/12/1005878312.db2.gz	LEDDNHFSINDDQA-MQMHXKEQSA-N	-1	0	324.340	0.883	20	30		DCEDRM
N#CC1(C(=O)NCc2nc(CC(=O)[O-])cs2)CCOCC1	ZINC001574240941	1163672125	/nfs/dbraw/zinc/67/21/25/1163672125.db2.gz	BVEMRFYBIBZQDO-UHFFFAOYSA-N	-1	0	309.347	0.707	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc3n[nH]cc3c2)c(=O)[n-]c1=O	ZINC001440959384	1008143657	/nfs/dbraw/zinc/14/36/57/1008143657.db2.gz	GVLMOLGVKVIZOP-UHFFFAOYSA-N	-1	0	310.273	0.336	20	30		DCEDRM
C[C@@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001453845443	1008758017	/nfs/dbraw/zinc/75/80/17/1008758017.db2.gz	SWMIEGKLMNNWOL-LURJTMIESA-N	-1	0	304.228	0.135	20	30		DCEDRM
COC(=O)C1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001433588611	1008970133	/nfs/dbraw/zinc/97/01/33/1008970133.db2.gz	AHUZLCDDKGRGPF-UHFFFAOYSA-N	-1	0	303.318	0.993	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CCC(NC(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC001454531049	1009174725	/nfs/dbraw/zinc/17/47/25/1009174725.db2.gz	LBMKPGTWPTYAAV-MFAVDMRSSA-N	-1	0	319.365	0.741	20	30		DCEDRM
CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001433880413	1009296592	/nfs/dbraw/zinc/29/65/92/1009296592.db2.gz	OVUYOPOREDEERD-WDEREUQCSA-N	-1	0	302.334	0.612	20	30		DCEDRM
CCC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001434206242	1009662430	/nfs/dbraw/zinc/66/24/30/1009662430.db2.gz	FHFKKKOMBWDALI-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
CCCn1cc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)nn1	ZINC001455377720	1009695088	/nfs/dbraw/zinc/69/50/88/1009695088.db2.gz	JUGZJRCNMUXLTP-UHFFFAOYSA-N	-1	0	300.322	0.899	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCn3cccc3C2)c(=O)[n-]c1=O	ZINC001455556203	1009814977	/nfs/dbraw/zinc/81/49/77/1009814977.db2.gz	WVMUKNWDDVCRDI-UHFFFAOYSA-N	-1	0	313.317	0.055	20	30		DCEDRM
COC[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1nnn[n-]1	ZINC001455729915	1009934717	/nfs/dbraw/zinc/93/47/17/1009934717.db2.gz	OTOWYOOWEAYTMV-OLZOCXBDSA-N	-1	0	314.349	0.776	20	30		DCEDRM
Cn1nnc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)n1	ZINC001458174150	1012097212	/nfs/dbraw/zinc/09/72/12/1012097212.db2.gz	ZQDKQWADMBGEEN-UHFFFAOYSA-N	-1	0	307.657	0.896	20	30		DCEDRM
CN(Cc1c(F)cccc1F)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001458400493	1012168823	/nfs/dbraw/zinc/16/88/23/1012168823.db2.gz	DMTSAZYVWARJIN-UHFFFAOYSA-N	-1	0	306.272	0.860	20	30		DCEDRM
CN(C)c1cccnc1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001458407464	1012169859	/nfs/dbraw/zinc/16/98/59/1012169859.db2.gz	UWLIUVLDVYTNLV-UHFFFAOYSA-N	-1	0	300.322	0.018	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H]2CCOC3(CCOCC3)C2)c(C#N)c1=O	ZINC001458442544	1012179749	/nfs/dbraw/zinc/17/97/49/1012179749.db2.gz	DOLOFZKDGJBKDM-JTQLQIEISA-N	-1	0	320.349	0.085	20	30		DCEDRM
CCc1cc(=O)n2nc(NC(=O)c3cc(C)c(C#N)cn3)[n-]c2n1	ZINC001543196276	1012505091	/nfs/dbraw/zinc/50/50/91/1012505091.db2.gz	LOKHMYBTEFUNMY-UHFFFAOYSA-N	-1	0	323.316	0.807	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001499980745	1018159172	/nfs/dbraw/zinc/15/91/72/1018159172.db2.gz	WACSKAHIUJKJQW-HNNXBMFYSA-N	-1	0	323.397	0.308	20	30		DCEDRM
CSC[C@@](C)(C#N)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC001607392759	1170445411	/nfs/dbraw/zinc/44/54/11/1170445411.db2.gz	LFTVIPNKXCFAOX-SNVBAGLBSA-N	-1	0	304.349	0.901	20	30		DCEDRM
COCC[C@](C)(C#N)NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC001610254508	1171210339	/nfs/dbraw/zinc/21/03/39/1171210339.db2.gz	UIVYWWMJYWZKRO-GFCCVEGCSA-N	-1	0	316.335	0.883	20	30		DCEDRM
C[C@H](CN(C)C(=O)Cc1cccc(OCC#N)c1)c1nnn[n-]1	ZINC000274815666	238303175	/nfs/dbraw/zinc/30/31/75/238303175.db2.gz	WPQHFPCSEIIONE-LLVKDONJSA-N	-1	0	314.349	0.907	20	30		DCEDRM
N#CCCn1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)n1	ZINC000357135615	239022794	/nfs/dbraw/zinc/02/27/94/239022794.db2.gz	RWNCHEKYKGWQCW-UHFFFAOYSA-N	-1	0	302.319	0.864	20	30		DCEDRM
Cc1cc(C#N)nc(N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)n1	ZINC000416450341	239724861	/nfs/dbraw/zinc/72/48/61/239724861.db2.gz	XNVKIUQLDIADGQ-NEPJUHHUSA-N	-1	0	317.349	0.779	20	30		DCEDRM
O=C([O-])[C@H]1CCN(C(=O)C(=O)NCC#Cc2ccccc2)C1	ZINC000420527441	240040583	/nfs/dbraw/zinc/04/05/83/240040583.db2.gz	IQEPXRDWULBQTC-ZDUSSCGKSA-N	-1	0	300.314	0.087	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ccc(C#N)cc2)C1	ZINC000420533521	240042171	/nfs/dbraw/zinc/04/21/71/240042171.db2.gz	RMHYLTNXLFHJJK-MRXNPFEDSA-N	-1	0	315.329	0.498	20	30		DCEDRM
CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000288542094	220219503	/nfs/dbraw/zinc/21/95/03/220219503.db2.gz	IDGDYZSUHXQHNM-UHFFFAOYSA-N	-1	0	324.318	0.862	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCN(C)C(=O)OC(C)(C)C	ZINC000496253052	533073488	/nfs/dbraw/zinc/07/34/88/533073488.db2.gz	IIXBLNSFXLZOMD-UHFFFAOYSA-N	-1	0	318.395	0.713	20	30		DCEDRM
C[C@@H]1CCCN(S(=O)(=O)c2cccnc2C#N)[C@H]1C(=O)[O-]	ZINC000300300312	296399694	/nfs/dbraw/zinc/39/96/94/296399694.db2.gz	UCOIDXLMIBUDQX-BXKDBHETSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000263555141	533144594	/nfs/dbraw/zinc/14/45/94/533144594.db2.gz	NTSUDTCGRCFVML-JQWIXIFHSA-N	-1	0	311.363	0.738	20	30		DCEDRM
N#Cc1nc(NC(=O)Cn2cnc3ccccc3c2=O)[n-]c1C#N	ZINC000026276208	395694260	/nfs/dbraw/zinc/69/42/60/395694260.db2.gz	LCFSNTBEYHBRAG-UHFFFAOYSA-N	-1	0	319.284	0.502	20	30		DCEDRM
COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccccc2C#N)n1	ZINC000067899388	396037608	/nfs/dbraw/zinc/03/76/08/396037608.db2.gz	XJOGSHCWLNVNFO-UHFFFAOYSA-N	-1	0	320.330	0.729	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1F	ZINC000071238753	396111072	/nfs/dbraw/zinc/11/10/72/396111072.db2.gz	FCWUQQMCGRBYDN-LLVKDONJSA-N	-1	0	314.294	0.171	20	30		DCEDRM
C[C@](O)(CNS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000263455005	396217108	/nfs/dbraw/zinc/21/71/08/396217108.db2.gz	BSJHUJJESQYQOT-NSHDSACASA-N	-1	0	318.738	0.326	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000263481992	396218118	/nfs/dbraw/zinc/21/81/18/396218118.db2.gz	LDGWKPNJCGMWTI-GMXVVIOVSA-N	-1	0	315.395	0.509	20	30		DCEDRM
Cn1ccnc1[C@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(C#N)o1	ZINC000287423501	396400444	/nfs/dbraw/zinc/40/04/44/396400444.db2.gz	PQQFMVNCCAGHNF-JQWIXIFHSA-N	-1	0	322.346	0.693	20	30		DCEDRM
CSCCN(CC(=O)[O-])S(=O)(=O)c1cccc(C#N)c1	ZINC000594673653	396496167	/nfs/dbraw/zinc/49/61/67/396496167.db2.gz	SGGKKRPWEXCGFC-UHFFFAOYSA-N	-1	0	314.388	0.997	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(=O)[O-]	ZINC000594528173	396484081	/nfs/dbraw/zinc/48/40/81/396484081.db2.gz	RJPZYIJQFWSGDU-VIFPVBQESA-N	-1	0	320.349	0.890	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)ccc1C#N	ZINC000594530667	396484278	/nfs/dbraw/zinc/48/42/78/396484278.db2.gz	MIKYEBDSAFSABC-NSHDSACASA-N	-1	0	318.333	0.673	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)C(=O)[O-]	ZINC000594530847	396485119	/nfs/dbraw/zinc/48/51/19/396485119.db2.gz	VSLQBCCKGYHQGN-SNVBAGLBSA-N	-1	0	303.318	0.206	20	30		DCEDRM
Cc1cc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)ccc1C#N	ZINC000586660685	396662280	/nfs/dbraw/zinc/66/22/80/396662280.db2.gz	KFHWPSPUQPQDPM-UHFFFAOYSA-N	-1	0	305.319	0.490	20	30		DCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)nn1	ZINC000588947047	396700335	/nfs/dbraw/zinc/70/03/35/396700335.db2.gz	SMQAULUYUIGIBI-UHFFFAOYSA-N	-1	0	308.275	0.529	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000596022628	396709569	/nfs/dbraw/zinc/70/95/69/396709569.db2.gz	GXJIIURDYXCWHX-MWLCHTKSSA-N	-1	0	303.384	0.413	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H](C(=O)[O-])C2CCC2)cn1	ZINC000596027593	396709983	/nfs/dbraw/zinc/70/99/83/396709983.db2.gz	SGTVKFKLETXSON-GFCCVEGCSA-N	-1	0	309.347	0.732	20	30		DCEDRM
N#Cc1ncn(CCN=c2nc(C3CCOCC3)[n-]s2)n1	ZINC000596230288	396739144	/nfs/dbraw/zinc/73/91/44/396739144.db2.gz	WFXHDVHDEWMKIX-UHFFFAOYSA-N	-1	0	305.367	0.429	20	30		DCEDRM
Cn1[n-]c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1=O	ZINC000597052010	396879232	/nfs/dbraw/zinc/87/92/32/396879232.db2.gz	PQEHOYYMMNVHOT-UHFFFAOYSA-N	-1	0	311.345	0.960	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC000600661720	396908307	/nfs/dbraw/zinc/90/83/07/396908307.db2.gz	YWETWOXFSOBLRC-SFYZADRCSA-N	-1	0	311.310	0.117	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000591459081	396923950	/nfs/dbraw/zinc/92/39/50/396923950.db2.gz	FHIFYOYDZPNVJZ-LLVKDONJSA-N	-1	0	319.292	0.247	20	30		DCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C1CC1)C1CC1	ZINC000602084262	397296169	/nfs/dbraw/zinc/29/61/69/397296169.db2.gz	GMEAUUZFUPGFCH-UHFFFAOYSA-N	-1	0	316.361	0.858	20	30		DCEDRM
C[C@@H]1[C@@H](C)CCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602108260	397303879	/nfs/dbraw/zinc/30/38/79/397303879.db2.gz	FWAZRXYAOSSVRH-WDEREUQCSA-N	-1	0	304.350	0.858	20	30		DCEDRM
C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H]2CCCC[C@H]21	ZINC000602131737	397313924	/nfs/dbraw/zinc/31/39/24/397313924.db2.gz	UZXZRLNJBNGEJH-KGYLQXTDSA-N	-1	0	316.361	0.858	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)CC1	ZINC000593274247	397347338	/nfs/dbraw/zinc/34/73/38/397347338.db2.gz	RIUHGWPBRNEJSJ-RKDXNWHRSA-N	-1	0	322.333	0.908	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC1([C@H](C)C(=O)[O-])CC1	ZINC000593273711	397347552	/nfs/dbraw/zinc/34/75/52/397347552.db2.gz	MJKHLUFEZNNDHY-NXEZZACHSA-N	-1	0	303.384	0.556	20	30		DCEDRM
C[C@H]1CSCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602149179	397322662	/nfs/dbraw/zinc/32/26/62/397322662.db2.gz	ZTIFZEWGWGDCHJ-SNVBAGLBSA-N	-1	0	322.390	0.422	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@@]1(C)C(=O)[O-]	ZINC000578631876	397463662	/nfs/dbraw/zinc/46/36/62/397463662.db2.gz	DHIQPKRKBRUTQL-JQWIXIFHSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1c(C)nn(C)c1C	ZINC000578873058	397496034	/nfs/dbraw/zinc/49/60/34/397496034.db2.gz	KGVKCKFDXDSGIL-LLVKDONJSA-N	-1	0	301.368	0.658	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N(CC(=O)[O-])C1CCC1	ZINC000593943026	397485427	/nfs/dbraw/zinc/48/54/27/397485427.db2.gz	BFRFXPPGTPKFAU-UHFFFAOYSA-N	-1	0	319.383	0.032	20	30		DCEDRM
C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(=O)[O-]	ZINC000594527394	397564391	/nfs/dbraw/zinc/56/43/91/397564391.db2.gz	DZZRAUXKDCDNPO-NSHDSACASA-N	-1	0	317.349	0.506	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC000496125060	397575826	/nfs/dbraw/zinc/57/58/26/397575826.db2.gz	ZJWMHBBCIZLNOL-JTQLQIEISA-N	-1	0	316.354	0.625	20	30		DCEDRM
COC(=O)NCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000494713261	397532754	/nfs/dbraw/zinc/53/27/54/397532754.db2.gz	VANLQEVBZJBILR-UHFFFAOYSA-N	-1	0	305.356	0.118	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)CC1(C)CCC1)C(=O)OC	ZINC000603327250	397597532	/nfs/dbraw/zinc/59/75/32/397597532.db2.gz	QLDANFSGSSWAGW-LLVKDONJSA-N	-1	0	305.396	0.840	20	30		DCEDRM
N#Cc1nc(NC(=O)CN2CCCCCCC2=O)[n-]c1C#N	ZINC000052557193	158016340	/nfs/dbraw/zinc/01/63/40/158016340.db2.gz	YDSXODUBQFMDRP-UHFFFAOYSA-N	-1	0	300.322	0.884	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2C(=O)NC3)cn1	ZINC000195440879	158611363	/nfs/dbraw/zinc/61/13/63/158611363.db2.gz	NAYVBGOSVKRVDL-UHFFFAOYSA-N	-1	0	314.326	0.997	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000408333197	160086867	/nfs/dbraw/zinc/08/68/67/160086867.db2.gz	AWULWTMUNDVFHN-JTQLQIEISA-N	-1	0	311.338	0.599	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000069412935	415397848	/nfs/dbraw/zinc/39/78/48/415397848.db2.gz	WEJFXPALOGNAJC-GHMZBOCLSA-N	-1	0	310.331	0.075	20	30		DCEDRM
CC(C)(NC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1nnn[n-]1	ZINC000343449020	415604387	/nfs/dbraw/zinc/60/43/87/415604387.db2.gz	VCUIEQZGMRFVCH-UHFFFAOYSA-N	-1	0	322.332	0.922	20	30		DCEDRM
N#Cc1ccc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)nc1	ZINC000333292757	415604722	/nfs/dbraw/zinc/60/47/22/415604722.db2.gz	GBSHVCDLYQMDNJ-LLVKDONJSA-N	-1	0	319.346	0.912	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000291850824	415836500	/nfs/dbraw/zinc/83/65/00/415836500.db2.gz	IOFQJHGQRPKGKB-LLVKDONJSA-N	-1	0	301.368	0.301	20	30		DCEDRM
CSCC[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000290424151	415802461	/nfs/dbraw/zinc/80/24/61/415802461.db2.gz	AJIBLXGDSZIPLA-SNVBAGLBSA-N	-1	0	315.376	0.438	20	30		DCEDRM
COCCn1cc([N-]S(=O)(=O)c2cncc(C#N)c2)cn1	ZINC000290750242	415823997	/nfs/dbraw/zinc/82/39/97/415823997.db2.gz	YCZPJQUBQCJFCP-UHFFFAOYSA-N	-1	0	307.335	0.597	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C2(C(N)=O)CC2)c(F)c1	ZINC000124648584	415853947	/nfs/dbraw/zinc/85/39/47/415853947.db2.gz	JMFGPUYQOVXMAD-UHFFFAOYSA-N	-1	0	301.274	0.133	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C#N	ZINC000134706862	415957827	/nfs/dbraw/zinc/95/78/27/415957827.db2.gz	VLEHIEZCUAAXQS-YUMQZZPRSA-N	-1	0	315.376	0.900	20	30		DCEDRM
CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000357394094	416072283	/nfs/dbraw/zinc/07/22/83/416072283.db2.gz	VFAURDUDCXRIFI-UHFFFAOYSA-N	-1	0	320.334	0.145	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cncc(-n3ccnn3)c2)[n-]c1C#N	ZINC000338770568	416137336	/nfs/dbraw/zinc/13/73/36/416137336.db2.gz	KSHUABYVTUYORP-UHFFFAOYSA-N	-1	0	305.261	0.381	20	30		DCEDRM
O=C(NC1CCCCC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000329277624	416161923	/nfs/dbraw/zinc/16/19/23/416161923.db2.gz	JJKWHSFVEQQHLB-UHFFFAOYSA-N	-1	0	308.386	0.875	20	30		DCEDRM
C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000195475739	416326426	/nfs/dbraw/zinc/32/64/26/416326426.db2.gz	JNDLLQYRLLEWOH-QPUJVOFHSA-N	-1	0	311.338	0.500	20	30		DCEDRM
Cc1cc(N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cc(C#N)n1	ZINC000416442696	416369841	/nfs/dbraw/zinc/36/98/41/416369841.db2.gz	GABCSOXNGJTBLD-UONOGXRCSA-N	-1	0	316.361	0.806	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1F	ZINC000422662159	416446203	/nfs/dbraw/zinc/44/62/03/416446203.db2.gz	NBBZGQWPFGAVPI-LLVKDONJSA-N	-1	0	305.265	0.711	20	30		DCEDRM
CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000422663882	416446731	/nfs/dbraw/zinc/44/67/31/416446731.db2.gz	ZUROGHDDGFUJPS-LLVKDONJSA-N	-1	0	307.281	0.861	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000422719660	416447206	/nfs/dbraw/zinc/44/72/06/416447206.db2.gz	MBROOXLHGCGDAG-GHMZBOCLSA-N	-1	0	314.407	0.591	20	30		DCEDRM
COC(=O)Cn1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)n1	ZINC000555530916	416713281	/nfs/dbraw/zinc/71/32/81/416713281.db2.gz	WOWGNMLGGOXXEH-UHFFFAOYSA-N	-1	0	314.367	0.738	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(C#N)cn2)c([N+](=O)[O-])n1	ZINC000443425030	416756818	/nfs/dbraw/zinc/75/68/18/416756818.db2.gz	WWJHBZNEQOCBHN-UHFFFAOYSA-N	-1	0	322.306	0.879	20	30		DCEDRM
COC(=O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)[C@H](C)O	ZINC000444201276	416816579	/nfs/dbraw/zinc/81/65/79/416816579.db2.gz	YSOTWFYTZKKJMD-QWRGUYRKSA-N	-1	0	318.395	0.302	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC1C[C@@H](C)O[C@H](C)C1)C(=O)[O-]	ZINC000562460393	416868400	/nfs/dbraw/zinc/86/84/00/416868400.db2.gz	ZGZXAEVJKUEXGN-FOGDFJRCSA-N	-1	0	300.355	0.897	20	30		DCEDRM
C=C(C)CS(=O)(=O)NCCCCn1cc(C(=O)[O-])nn1	ZINC000563224769	416876238	/nfs/dbraw/zinc/87/62/38/416876238.db2.gz	DOZPWUZOGLXVCP-UHFFFAOYSA-N	-1	0	302.356	0.252	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N2CCC(C)(C#N)CC2)C[C@@H]1C(=O)[O-]	ZINC000565775463	417017879	/nfs/dbraw/zinc/01/78/79/417017879.db2.gz	ULWPSYPHWIMYMD-NEPJUHHUSA-N	-1	0	321.377	0.708	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccc(C#N)nc1	ZINC000399480110	417109236	/nfs/dbraw/zinc/10/92/36/417109236.db2.gz	XKWXJQIBXBOXCU-JOYOIKCWSA-N	-1	0	311.363	0.977	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000569080730	417211418	/nfs/dbraw/zinc/21/14/18/417211418.db2.gz	OOZZTTYPTMLZGZ-MNOVXSKESA-N	-1	0	316.317	0.899	20	30		DCEDRM
COC(=O)CC[C@@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000569108748	417216672	/nfs/dbraw/zinc/21/66/72/417216672.db2.gz	QXQPRYBHCDSLMQ-SECBINFHSA-N	-1	0	318.351	0.006	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](C)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000570290751	417338752	/nfs/dbraw/zinc/33/87/52/417338752.db2.gz	SBJHTJBWMVWCSG-SRVKXCTJSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=C(C)CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000451796349	417401486	/nfs/dbraw/zinc/40/14/86/417401486.db2.gz	BMRVJYBELISUGT-UHFFFAOYSA-N	-1	0	310.335	0.681	20	30		DCEDRM
N#CCCCCS(=O)(=O)N1CCn2cccc2[C@@H]1C(=O)[O-]	ZINC000571198706	417433257	/nfs/dbraw/zinc/43/32/57/417433257.db2.gz	VYNXHDAJTZIDHU-GFCCVEGCSA-N	-1	0	311.363	0.953	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)[O-]	ZINC000574116039	417478539	/nfs/dbraw/zinc/47/85/39/417478539.db2.gz	RPRZSOPRHRSWBN-WRWGMCAJSA-N	-1	0	312.366	0.755	20	30		DCEDRM
CO[C@@H](Cc1ccc(F)cc1)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000530111865	417540493	/nfs/dbraw/zinc/54/04/93/417540493.db2.gz	DEBHSWZFDCRZPL-ZDUSSCGKSA-N	-1	0	303.293	0.805	20	30		DCEDRM
C=CCN(C(=O)CSCC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000575369443	417529280	/nfs/dbraw/zinc/52/92/80/417529280.db2.gz	RBNMDIDTQVIDMS-VIFPVBQESA-N	-1	0	307.393	0.006	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000635520278	417688405	/nfs/dbraw/zinc/68/84/05/417688405.db2.gz	YUEJKHAXGJMLIZ-SLEUVZQESA-N	-1	0	312.366	0.710	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cccc(OC)c1)C(=O)[O-]	ZINC000646046911	417861383	/nfs/dbraw/zinc/86/13/83/417861383.db2.gz	FWPAXSQNKPJNJZ-LBPRGKRZSA-N	-1	0	315.347	0.629	20	30		DCEDRM
C=CCN(CC=C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000659051055	418048718	/nfs/dbraw/zinc/04/87/18/418048718.db2.gz	RHAWZVHAGVUMQH-UHFFFAOYSA-N	-1	0	320.349	0.842	20	30		DCEDRM
C=CCOCCNS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1	ZINC000663430509	418018942	/nfs/dbraw/zinc/01/89/42/418018942.db2.gz	SCWNLGLYUVLUQZ-UHFFFAOYSA-N	-1	0	317.338	0.934	20	30		DCEDRM
C=CC[C@H](CC)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000647583708	418027487	/nfs/dbraw/zinc/02/74/87/418027487.db2.gz	ADFIABSWGKAIAS-NSHDSACASA-N	-1	0	312.366	0.455	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000663630938	418040614	/nfs/dbraw/zinc/04/06/14/418040614.db2.gz	YDISGGJPIGMDJO-XQQFMLRXSA-N	-1	0	324.377	0.311	20	30		DCEDRM
C=CCCNC(=O)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC000659663356	418139489	/nfs/dbraw/zinc/13/94/89/418139489.db2.gz	KFZJCGWJGRZGJY-INIZCTEOSA-N	-1	0	304.346	0.837	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000650412600	418307815	/nfs/dbraw/zinc/30/78/15/418307815.db2.gz	PCAFLHLIVMHYNM-MRVPVSSYSA-N	-1	0	316.360	0.720	20	30		DCEDRM
C=CCOCCCNS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000656723685	418373078	/nfs/dbraw/zinc/37/30/78/418373078.db2.gz	MYQDBVKMHGYLCE-UHFFFAOYSA-N	-1	0	306.365	0.712	20	30		DCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cncc(C#N)c1	ZINC000396997895	262163724	/nfs/dbraw/zinc/16/37/24/262163724.db2.gz	CWIGQQYNTBNQDD-KOLCDFICSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CCn1cc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C(N)=O)n1	ZINC000430979811	262626964	/nfs/dbraw/zinc/62/69/64/262626964.db2.gz	XPCWAMBBKCDPGO-UHFFFAOYSA-N	-1	0	319.346	0.674	20	30		DCEDRM
Cc1nsc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1C#N	ZINC000424471111	268102093	/nfs/dbraw/zinc/10/20/93/268102093.db2.gz	MVCVXXSWYMPICM-QMMMGPOBSA-N	-1	0	301.349	0.011	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])cn1	ZINC000359401247	268197472	/nfs/dbraw/zinc/19/74/72/268197472.db2.gz	RUZKKHIOMLQSTI-UHFFFAOYSA-N	-1	0	305.275	0.479	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])c(F)c1	ZINC000548239686	288124128	/nfs/dbraw/zinc/12/41/28/288124128.db2.gz	DVOSVIWVTYIESH-VIFPVBQESA-N	-1	0	316.335	0.846	20	30		DCEDRM
COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cc1C(N)=O	ZINC000552610827	288277786	/nfs/dbraw/zinc/27/77/86/288277786.db2.gz	ZRXSFQZYQCMYMT-UHFFFAOYSA-N	-1	0	321.318	0.190	20	30		DCEDRM
C[C@@H]([C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-])C1CC1	ZINC000554678020	288335239	/nfs/dbraw/zinc/33/52/39/288335239.db2.gz	IOQBYBWVBSKWNN-PELKAZGASA-N	-1	0	309.347	0.731	20	30		DCEDRM
CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cc(C#N)ccc2C)C1	ZINC000367202281	293864812	/nfs/dbraw/zinc/86/48/12/293864812.db2.gz	YSGWPZGCYVRNER-NEPJUHHUSA-N	-1	0	324.358	0.729	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000263509301	303218400	/nfs/dbraw/zinc/21/84/00/303218400.db2.gz	WYBWNIYOXFFNAJ-IINYFYTJSA-N	-1	0	321.358	0.829	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(C(=O)[O-])o1	ZINC000570687941	332799246	/nfs/dbraw/zinc/79/92/46/332799246.db2.gz	SAJIGPHHNPUYCE-SECBINFHSA-N	-1	0	315.351	0.794	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000516771040	333219406	/nfs/dbraw/zinc/21/94/06/333219406.db2.gz	ZMTGOQGJUDZYFW-CYDGBPFRSA-N	-1	0	324.377	0.263	20	30		DCEDRM
C[C@H](CNC(=O)CSc1n[nH]c(=O)[n-]1)N1CCOCC1	ZINC000330156096	336118882	/nfs/dbraw/zinc/11/88/82/336118882.db2.gz	ONCKSBPFKUTXGG-MRVPVSSYSA-N	-1	0	301.372	0.280	20	30		DCEDRM
CC[C@@H](CCNS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)[O-]	ZINC000572004654	337586124	/nfs/dbraw/zinc/58/61/24/337586124.db2.gz	JJKJTPONOIRNLZ-QWRGUYRKSA-N	-1	0	305.400	0.803	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCC2(CC#N)CC2)C1	ZINC000422706926	337683561	/nfs/dbraw/zinc/68/35/61/337683561.db2.gz	VFHFOOQFLZAYNS-MNOVXSKESA-N	-1	0	307.350	0.366	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000514733917	337969654	/nfs/dbraw/zinc/96/96/54/337969654.db2.gz	SUEZCVIETGEMGY-GHMZBOCLSA-N	-1	0	315.395	0.509	20	30		DCEDRM
N#CCN(C1CC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000437254816	338304759	/nfs/dbraw/zinc/30/47/59/338304759.db2.gz	IOOMWLVAJJRZNC-UHFFFAOYSA-N	-1	0	321.318	0.113	20	30		DCEDRM
C=CCC[C@@H](NC(=O)Cn1ncc(=O)c2ccccc21)C(=O)[O-]	ZINC000448993149	338581971	/nfs/dbraw/zinc/58/19/71/338581971.db2.gz	MLPVEUCBIQQJPJ-GFCCVEGCSA-N	-1	0	315.329	0.932	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CN(C)C(=O)OC(C)(C)C	ZINC000496421929	340005140	/nfs/dbraw/zinc/00/51/40/340005140.db2.gz	UXWVNSCOYXDHPM-UHFFFAOYSA-N	-1	0	304.368	0.323	20	30		DCEDRM
CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2(C#N)CCCC2)C1	ZINC000542864405	341024070	/nfs/dbraw/zinc/02/40/70/341024070.db2.gz	LIKZVZCQDNZPHP-MNOVXSKESA-N	-1	0	316.379	0.574	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1F)C(=O)[O-]	ZINC000543787904	341058775	/nfs/dbraw/zinc/05/87/75/341058775.db2.gz	NNAQDWOHGCQZBQ-LLVKDONJSA-N	-1	0	315.322	0.979	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)N(CCC)CC1CC1)C(=O)[O-]	ZINC000543788389	341058836	/nfs/dbraw/zinc/05/88/36/341058836.db2.gz	RBHSKLKONLTWTP-LBPRGKRZSA-N	-1	0	302.396	0.809	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000547352171	341208088	/nfs/dbraw/zinc/20/80/88/341208088.db2.gz	FVNSYJKJOCAYMX-VIFPVBQESA-N	-1	0	311.363	0.532	20	30		DCEDRM
C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)N(C)CCC#N	ZINC000548266089	341253539	/nfs/dbraw/zinc/25/35/39/341253539.db2.gz	OCURLZUSOKQNRX-WDEREUQCSA-N	-1	0	305.400	0.946	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000548541316	341265991	/nfs/dbraw/zinc/26/59/91/341265991.db2.gz	GMAWHBBYCPTSMA-SNVBAGLBSA-N	-1	0	304.368	0.479	20	30		DCEDRM
N#CC1(CS(=O)(=O)NCCOCC(=O)[O-])CCCCC1	ZINC000548592615	341266531	/nfs/dbraw/zinc/26/65/31/341266531.db2.gz	PAOJHLWRWMAMCS-UHFFFAOYSA-N	-1	0	304.368	0.481	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-]	ZINC000565057421	341516122	/nfs/dbraw/zinc/51/61/22/341516122.db2.gz	GISZQAGVQLSEBZ-BBBLOLIVSA-N	-1	0	321.424	0.561	20	30		DCEDRM
N#CC1(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CC1	ZINC000566023174	341545710	/nfs/dbraw/zinc/54/57/10/341545710.db2.gz	PFTNYPSZLVBCQR-UHFFFAOYSA-N	-1	0	315.301	0.415	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000568002639	341644994	/nfs/dbraw/zinc/64/49/94/341644994.db2.gz	IDGJSCCJEWEIPJ-WPRPVWTQSA-N	-1	0	317.392	0.800	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C	ZINC000569109322	341690882	/nfs/dbraw/zinc/69/08/82/341690882.db2.gz	YUSLFYPXZGIIJW-DCAQKATOSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cnn(CCOC)c1)C(=O)[O-]	ZINC000577681384	341928753	/nfs/dbraw/zinc/92/87/53/341928753.db2.gz	KOJSTVLOXWZPGQ-LLVKDONJSA-N	-1	0	317.367	0.227	20	30		DCEDRM
C=CC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424393513	534508334	/nfs/dbraw/zinc/50/83/34/534508334.db2.gz	AKKKIQZJVLVKBS-VIFPVBQESA-N	-1	0	304.368	0.092	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc2c(cn1)OCCO2)C(=O)[O-]	ZINC000425257625	534880038	/nfs/dbraw/zinc/88/00/38/534880038.db2.gz	QHJBRURLJOQUKN-JTQLQIEISA-N	-1	0	308.290	0.238	20	30		DCEDRM
C[C@@H](O)[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000159633827	525858107	/nfs/dbraw/zinc/85/81/07/525858107.db2.gz	NAFRCCHGPSZAPJ-LDWIPMOCSA-N	-1	0	318.738	0.324	20	30		DCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)NCCCC(=O)[O-])cc1	ZINC000263123467	527048801	/nfs/dbraw/zinc/04/88/01/527048801.db2.gz	FABNQQDAUSCTGA-UHFFFAOYSA-N	-1	0	324.358	0.193	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC000276372399	527131635	/nfs/dbraw/zinc/13/16/35/527131635.db2.gz	VIZGVTHKQZLITI-GFCCVEGCSA-N	-1	0	318.329	0.721	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)[O-]	ZINC000159571533	527175940	/nfs/dbraw/zinc/17/59/40/527175940.db2.gz	PTVSOGONKSGPSR-JTQLQIEISA-N	-1	0	301.295	0.589	20	30		DCEDRM
C=CCC[C@H](NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-]	ZINC000262897469	527475438	/nfs/dbraw/zinc/47/54/38/527475438.db2.gz	LZZHAKHLJWRRDG-NSHDSACASA-N	-1	0	318.333	0.422	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N[C@@]2(C#N)CCOC2)c1	ZINC000424776737	536919623	/nfs/dbraw/zinc/91/96/23/536919623.db2.gz	RHXHUMGCIAGSHB-SZNDQCEHSA-N	-1	0	308.359	0.602	20	30		DCEDRM
CC(C)(C)c1nc(=NC(=O)NCCN2CCOCC2)s[n-]1	ZINC000329333011	546046293	/nfs/dbraw/zinc/04/62/93/546046293.db2.gz	NDFTWSYMYNUTOG-UHFFFAOYSA-N	-1	0	313.427	0.916	20	30		DCEDRM
N#CCn1cc(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cn1	ZINC000821324903	597345028	/nfs/dbraw/zinc/34/50/28/597345028.db2.gz	XOGLGLRTKNUBFY-SNVBAGLBSA-N	-1	0	319.321	0.058	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)[O-])cc1	ZINC000737532987	597495331	/nfs/dbraw/zinc/49/53/31/597495331.db2.gz	XFADRKOEYMLVCU-VIFPVBQESA-N	-1	0	313.331	0.781	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(c2ccccn2)C1	ZINC000819834430	597603421	/nfs/dbraw/zinc/60/34/21/597603421.db2.gz	NFEPNYVNZRLYCE-ABAIWWIYSA-N	-1	0	302.334	0.781	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC(=O)N(Cc2ccccc2)C1	ZINC000819811973	597604994	/nfs/dbraw/zinc/60/49/94/597604994.db2.gz	YCYLGLMPOADWQR-MRXNPFEDSA-N	-1	0	315.329	0.819	20	30		DCEDRM
Cn1ncc2c1nc(COC(=O)[C@](C)(C#N)CC(=O)[O-])[nH]c2=O	ZINC000821314927	597625589	/nfs/dbraw/zinc/62/55/89/597625589.db2.gz	DBVDAPCRPDUTCE-ZDUSSCGKSA-N	-1	0	319.277	0.117	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1nnc2ccccn21	ZINC000819841553	597628069	/nfs/dbraw/zinc/62/80/69/597628069.db2.gz	APQDPLYYBLISSB-CQSZACIVSA-N	-1	0	301.306	0.393	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCC1N=NC(=S)N1C1CC1	ZINC000819842932	597645493	/nfs/dbraw/zinc/64/54/93/597645493.db2.gz	WUTABRAZVMTMMR-CYBMUJFWSA-N	-1	0	323.378	0.565	20	30		DCEDRM
COc1c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cccc1C(N)=O	ZINC000820755053	597722606	/nfs/dbraw/zinc/72/26/06/597722606.db2.gz	UAOJZYHBPPPVFP-CQSZACIVSA-N	-1	0	305.290	0.737	20	30		DCEDRM
CC(=NNCCC(=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1	ZINC000819726455	597742242	/nfs/dbraw/zinc/74/22/42/597742242.db2.gz	KGOUCWZGJXVUFL-UHFFFAOYSA-N	-1	0	313.379	0.725	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1COc2ccccc2O1	ZINC000819833738	598222013	/nfs/dbraw/zinc/22/20/13/598222013.db2.gz	IXOAONJQRJSCET-MEBBXXQBSA-N	-1	0	304.302	0.947	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1	ZINC000819824495	598228282	/nfs/dbraw/zinc/22/82/82/598228282.db2.gz	YMKCLPRYQUJNSW-OUJBWJOFSA-N	-1	0	316.379	0.463	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nc(-c2ccncc2)no1	ZINC000819848991	598228656	/nfs/dbraw/zinc/22/86/56/598228656.db2.gz	WMMWUYHUVOAEGU-AWEZNQCLSA-N	-1	0	315.289	0.752	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCOC2(CCOCC2)C1	ZINC000819834717	598230945	/nfs/dbraw/zinc/23/09/45/598230945.db2.gz	OSLPDAUDIDSRAF-SMDDNHRTSA-N	-1	0	310.350	0.835	20	30		DCEDRM
CC(C)c1nc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)no1	ZINC000735938981	598717857	/nfs/dbraw/zinc/71/78/57/598717857.db2.gz	GKXXMIIEEABOGR-UHFFFAOYSA-N	-1	0	300.286	0.072	20	30		DCEDRM
N#CCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1	ZINC000739085944	599798001	/nfs/dbraw/zinc/79/80/01/599798001.db2.gz	LOGDICLZHIVPRV-UHFFFAOYSA-N	-1	0	315.376	0.276	20	30		DCEDRM
C#CCN(Cc1cc(C)c(C(=O)[O-])o1)[C@H]1CCS(=O)(=O)C1	ZINC000736080691	599927984	/nfs/dbraw/zinc/92/79/84/599927984.db2.gz	WOAXHNLZCLHSLM-NSHDSACASA-N	-1	0	311.359	0.909	20	30		DCEDRM
C#Cc1ccc(C(=O)OCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)nc1	ZINC000736092619	600117859	/nfs/dbraw/zinc/11/78/59/600117859.db2.gz	IIPQIWDQWKCUMF-HZMBPMFUSA-N	-1	0	318.329	0.835	20	30		DCEDRM
N#Cc1cccc(CNC(=O)COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1	ZINC000739133831	600167430	/nfs/dbraw/zinc/16/74/30/600167430.db2.gz	PWOBNQJJISTHRK-NWDGAFQWSA-N	-1	0	302.286	0.438	20	30		DCEDRM
N#CCN1CCC(NC(=O)Nc2nc(CC(=O)[O-])cs2)CC1	ZINC000738425663	600171939	/nfs/dbraw/zinc/17/19/39/600171939.db2.gz	JMNJRDDSVZMGOH-UHFFFAOYSA-N	-1	0	323.378	0.880	20	30		DCEDRM
Cc1nn(Cc2noc(CCCC(=O)[O-])n2)c(=O)c(C#N)c1C	ZINC000738928453	600185619	/nfs/dbraw/zinc/18/56/19/600185619.db2.gz	SYKFCMXZZBGTIG-UHFFFAOYSA-N	-1	0	317.305	0.570	20	30		DCEDRM
C[C@@H](CC(=O)[O-])S(=O)(=O)CC(=O)NCc1ccc(C#N)cc1	ZINC000736551097	600191028	/nfs/dbraw/zinc/19/10/28/600191028.db2.gz	UDFKBPYDKANRSC-JTQLQIEISA-N	-1	0	324.358	0.452	20	30		DCEDRM
COC(=O)C[C@@H](NC(=O)CSc1ccc(C#N)cc1)C(=O)[O-]	ZINC000737599590	600242380	/nfs/dbraw/zinc/24/23/80/600242380.db2.gz	VYQGNXVCJKFHDX-LLVKDONJSA-N	-1	0	322.342	0.783	20	30		DCEDRM
CCc1[nH]c(C(=O)N(CC#N)CC(=O)[O-])c(C)c1C(=O)OC	ZINC000737237467	600401025	/nfs/dbraw/zinc/40/10/25/600401025.db2.gz	MXLNYTBIDUAOKK-UHFFFAOYSA-N	-1	0	307.306	0.723	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1	ZINC000739077346	600403797	/nfs/dbraw/zinc/40/37/97/600403797.db2.gz	MKEJCVVSWLVFBJ-GFCCVEGCSA-N	-1	0	323.255	0.895	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	ZINC000739076567	600406016	/nfs/dbraw/zinc/40/60/16/600406016.db2.gz	ZWAVDFFMFGYAOP-SNVBAGLBSA-N	-1	0	319.292	0.615	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C1CCN(C(=O)c2ccoc2)CC1	ZINC000739077866	600408264	/nfs/dbraw/zinc/40/82/64/600408264.db2.gz	VDMOQWFDNWCZGA-UHFFFAOYSA-N	-1	0	319.317	0.569	20	30		DCEDRM
CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000736361393	600441714	/nfs/dbraw/zinc/44/17/14/600441714.db2.gz	SGERURXDABTHCD-CYBMUJFWSA-N	-1	0	303.318	0.513	20	30		DCEDRM
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCO[C@@H](C(=O)[O-])C1	ZINC000737580343	600569107	/nfs/dbraw/zinc/56/91/07/600569107.db2.gz	NSIDCJUSHXOIFZ-CHWSQXEVSA-N	-1	0	304.302	0.558	20	30		DCEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCCS(=O)(=O)CC2)cc1	ZINC000739104466	600571148	/nfs/dbraw/zinc/57/11/48/600571148.db2.gz	GQBYRKKBPIXWKT-ZDUSSCGKSA-N	-1	0	308.359	0.804	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000825687283	600675264	/nfs/dbraw/zinc/67/52/64/600675264.db2.gz	HYSGOAWWFFNVHU-RKDXNWHRSA-N	-1	0	315.326	0.222	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000736267729	600696317	/nfs/dbraw/zinc/69/63/17/600696317.db2.gz	JMHLEOLVTLNZFN-SNVBAGLBSA-N	-1	0	311.338	0.680	20	30		DCEDRM
C[C@@H]1Cc2cc(S(=O)(=O)N(CC#N)CC(=O)[O-])ccc2O1	ZINC000736825497	600796069	/nfs/dbraw/zinc/79/60/69/600796069.db2.gz	MVABKJOWSKSUPR-SECBINFHSA-N	-1	0	310.331	0.609	20	30		DCEDRM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000833024486	601216389	/nfs/dbraw/zinc/21/63/89/601216389.db2.gz	FVGWRBNJVLJSMC-JTQLQIEISA-N	-1	0	303.274	0.426	20	30		DCEDRM
C#CCSCCNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000825636719	601222802	/nfs/dbraw/zinc/22/28/02/601222802.db2.gz	QSEMXTZALAHFIF-UHFFFAOYSA-N	-1	0	303.361	0.931	20	30		DCEDRM
CC(C)CCN(CCC#N)S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000826849042	601259256	/nfs/dbraw/zinc/25/92/56/601259256.db2.gz	QCNGBUFLPRUXIL-UHFFFAOYSA-N	-1	0	305.400	0.899	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC000738466715	601340126	/nfs/dbraw/zinc/34/01/26/601340126.db2.gz	GALSIRJXGBQULN-UHFFFAOYSA-N	-1	0	300.314	0.930	20	30		DCEDRM
C=CCNC(=O)c1ccc(N2CCO[C@H](CC(=O)[O-])C2)nc1	ZINC000825687636	601381950	/nfs/dbraw/zinc/38/19/50/601381950.db2.gz	RZFFOHILLPGBIC-GFCCVEGCSA-N	-1	0	305.334	0.677	20	30		DCEDRM
N#Cc1ccc(-c2nnc(CN3CCOC[C@H]3C(=O)[O-])o2)cc1	ZINC000833070456	601559129	/nfs/dbraw/zinc/55/91/29/601559129.db2.gz	HCJYGCRWVDINBV-LBPRGKRZSA-N	-1	0	314.301	0.894	20	30		DCEDRM
C#CCN1CCN(C(=O)CNc2ccc(C(=O)[O-])c(C)c2)CC1	ZINC000819700713	601578573	/nfs/dbraw/zinc/57/85/73/601578573.db2.gz	FIWSRASXRNHVHN-UHFFFAOYSA-N	-1	0	315.373	0.883	20	30		DCEDRM
C/C(=C\CN1CCN(c2nccnc2C#N)C[C@H]1C)C(=O)[O-]	ZINC000825746999	601664385	/nfs/dbraw/zinc/66/43/85/601664385.db2.gz	NSBFHSBYCNKYBU-NDZKXSSTSA-N	-1	0	301.350	0.890	20	30		DCEDRM
CC(C)(CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000826550345	601763938	/nfs/dbraw/zinc/76/39/38/601763938.db2.gz	FNMJPFVQPPIGJE-UHFFFAOYSA-N	-1	0	307.281	0.863	20	30		DCEDRM
C=CCN1C(=O)c2ccc(C(=O)OCCNC(=O)[O-])cc2C1=O	ZINC000736107404	602220335	/nfs/dbraw/zinc/22/03/35/602220335.db2.gz	WRQSJWHGPWOTJA-UHFFFAOYSA-N	-1	0	318.285	0.893	20	30		DCEDRM
CN(C[C@H]1CCCN1S(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000828229269	603151871	/nfs/dbraw/zinc/15/18/71/603151871.db2.gz	AUQBIFKYAXSREK-SNVBAGLBSA-N	-1	0	304.372	0.151	20	30		DCEDRM
C[C@H](CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)NC(=O)[O-]	ZINC000824598632	603280708	/nfs/dbraw/zinc/28/07/08/603280708.db2.gz	GAFOXWPJEWQSNZ-LLVKDONJSA-N	-1	0	317.349	0.648	20	30		DCEDRM
O=C(C#Cc1ccccc1)NCCCN1CCN(C(=O)[O-])CC1	ZINC000831265235	603479638	/nfs/dbraw/zinc/47/96/38/603479638.db2.gz	DMABNUVZXILXKN-UHFFFAOYSA-N	-1	0	315.373	0.840	20	30		DCEDRM
CC(C)(CNc1ccc(S(N)(=O)=O)cc1C#N)NC(=O)[O-]	ZINC000824011452	603519119	/nfs/dbraw/zinc/51/91/19/603519119.db2.gz	NQIIROIFIRFMQX-UHFFFAOYSA-N	-1	0	312.351	0.664	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CSc1ccncc1	ZINC000831082383	603589234	/nfs/dbraw/zinc/58/92/34/603589234.db2.gz	LMRNCYQRHUSWPP-SNVBAGLBSA-N	-1	0	306.347	0.888	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cnc2ccccc2n1	ZINC000831091483	603591403	/nfs/dbraw/zinc/59/14/03/603591403.db2.gz	FXSOOCWJWXDUIF-SNVBAGLBSA-N	-1	0	311.301	0.958	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COCCc1ccccc1	ZINC000831082276	603598365	/nfs/dbraw/zinc/59/83/65/603598365.db2.gz	JZTAVWWVUQAEMK-CQSZACIVSA-N	-1	0	317.345	0.960	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CCN1C1CC1	ZINC000831075846	603613584	/nfs/dbraw/zinc/61/35/84/603613584.db2.gz	DFGXSPRYFLTNQA-NTZNESFSSA-N	-1	0	306.366	0.621	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)N1CCc2ccccc21	ZINC000831091461	603726466	/nfs/dbraw/zinc/72/64/66/603726466.db2.gz	FKKJWZWSJPCSOY-ZDUSSCGKSA-N	-1	0	314.345	0.763	20	30		DCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c(F)c1	ZINC000831126773	603759017	/nfs/dbraw/zinc/75/90/17/603759017.db2.gz	REBQCCUERGRENE-JQWIXIFHSA-N	-1	0	307.281	0.427	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)NCCCNC(=O)[O-]	ZINC000831117689	603791977	/nfs/dbraw/zinc/79/19/77/603791977.db2.gz	CRBJRSZICDHQFQ-UHFFFAOYSA-N	-1	0	301.299	0.633	20	30		DCEDRM
C#CCN1CCN(C(=O)COc2ccc(NC(=O)[O-])cc2)CC1	ZINC000823455457	603865294	/nfs/dbraw/zinc/86/52/94/603865294.db2.gz	CRROQRFJZKTZRU-UHFFFAOYSA-N	-1	0	317.345	0.933	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@@]2(C)CCN(C(=O)[O-])C2)CC1	ZINC000823455254	603902918	/nfs/dbraw/zinc/90/29/18/603902918.db2.gz	BAJZBDWMCHZTMZ-INIZCTEOSA-N	-1	0	321.377	0.364	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)C1	ZINC000831102307	603915713	/nfs/dbraw/zinc/91/57/13/603915713.db2.gz	GDZCSUCYMQETJT-AGIUHOORSA-N	-1	0	308.382	0.774	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)s1	ZINC000830411244	603918336	/nfs/dbraw/zinc/91/83/36/603918336.db2.gz	VZDMCWHEUNISNL-SECBINFHSA-N	-1	0	315.376	0.933	20	30		DCEDRM
C[C@H](OC(=O)C[C@H]1CCCN1C(=O)[O-])C(=O)N(C)CCC#N	ZINC000825580459	603934474	/nfs/dbraw/zinc/93/44/74/603934474.db2.gz	SUTKQTGPWKOCOK-WDEREUQCSA-N	-1	0	311.338	0.823	20	30		DCEDRM
C[C@H](CC(=O)OCC(=O)NC1(C#N)CCCCC1)NC(=O)[O-]	ZINC000824728565	603967677	/nfs/dbraw/zinc/96/76/77/603967677.db2.gz	NAYGSABIRJXGJX-SNVBAGLBSA-N	-1	0	311.338	0.918	20	30		DCEDRM
CN(C(=O)COC(=O)CN(CC1CC1)C(=O)[O-])C(C)(C)C#N	ZINC000827773958	603986921	/nfs/dbraw/zinc/98/69/21/603986921.db2.gz	FRPGBEDZKQXNFI-UHFFFAOYSA-N	-1	0	311.338	0.680	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCc2c[nH]nc2C1	ZINC000831077052	604069740	/nfs/dbraw/zinc/06/97/40/604069740.db2.gz	VZCBAQPBGOWQAK-ONGXEEELSA-N	-1	0	303.322	0.229	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc(C(N)=O)c1	ZINC000831087371	604069885	/nfs/dbraw/zinc/06/98/85/604069885.db2.gz	KVAQBUZAFBGLLY-LLVKDONJSA-N	-1	0	302.290	0.113	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CNC(=O)c1cccs1	ZINC000831082832	604081543	/nfs/dbraw/zinc/08/15/43/604081543.db2.gz	RXPSYRKGVRDENQ-VIFPVBQESA-N	-1	0	322.346	0.192	20	30		DCEDRM
CN(C[C@@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1)C(=O)[O-]	ZINC000828223672	604092372	/nfs/dbraw/zinc/09/23/72/604092372.db2.gz	OKBUKSJWXRMFON-WFASDCNBSA-N	-1	0	308.382	0.869	20	30		DCEDRM
CN(C(=O)[O-])[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1	ZINC000827893759	604233422	/nfs/dbraw/zinc/23/34/22/604233422.db2.gz	BDPLAZUEKMNNRM-NSHDSACASA-N	-1	0	309.347	0.931	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000823505980	604241970	/nfs/dbraw/zinc/24/19/70/604241970.db2.gz	ALIATZQKNRLEGZ-IUCAKERBSA-N	-1	0	315.326	0.176	20	30		DCEDRM
N#Cc1ccc(F)cc1COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000831131961	604321035	/nfs/dbraw/zinc/32/10/35/604321035.db2.gz	HOFLGIVVJUGXDN-NEPJUHHUSA-N	-1	0	308.265	0.854	20	30		DCEDRM
C[C@H](C(=O)[O-])[C@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1	ZINC000826039657	604331030	/nfs/dbraw/zinc/33/10/30/604331030.db2.gz	XBCJRPXQXZTMDM-HZMBPMFUSA-N	-1	0	313.317	0.728	20	30		DCEDRM
C#CCN1CCN(C(=O)CN(C)C2(C(=O)[O-])CCCC2)CC1	ZINC000825620053	604465737	/nfs/dbraw/zinc/46/57/37/604465737.db2.gz	SWTSJVLVBQZIGJ-UHFFFAOYSA-N	-1	0	307.394	0.093	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)NCCSCC(=O)[O-]	ZINC000832849638	604535342	/nfs/dbraw/zinc/53/53/42/604535342.db2.gz	NCOBKCNOMGJVKG-UHFFFAOYSA-N	-1	0	321.358	0.739	20	30		DCEDRM
C[C@@H](CC(=O)OCC(=O)NCC#N)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824730508	604538464	/nfs/dbraw/zinc/53/84/64/604538464.db2.gz	XRZLSRWIWFKQKF-WDEREUQCSA-N	-1	0	311.338	0.586	20	30		DCEDRM
C#CCNC(=O)COC(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000823455961	604542335	/nfs/dbraw/zinc/54/23/35/604542335.db2.gz	IFNNNJOFQRUDAX-RYUDHWBXSA-N	-1	0	310.350	0.695	20	30		DCEDRM
C=CCN1C(=O)C(=O)N(Cc2cccc(C(=O)[O-])c2C#N)C1=O	ZINC000833377140	604550159	/nfs/dbraw/zinc/55/01/59/604550159.db2.gz	NOBFRUKFZGGBQX-UHFFFAOYSA-N	-1	0	313.269	0.733	20	30		DCEDRM
N#C[C@@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)c1ccc(F)cc1	ZINC000831071065	604676249	/nfs/dbraw/zinc/67/62/49/604676249.db2.gz	XLBCQBQFZINBOO-VXGBXAGGSA-N	-1	0	307.281	0.885	20	30		DCEDRM
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(O)(C(=O)[O-])CC1	ZINC000833409381	604728189	/nfs/dbraw/zinc/72/81/89/604728189.db2.gz	MYNSYJVEJJQVME-NSHDSACASA-N	-1	0	317.345	0.797	20	30		DCEDRM
C=C(Br)CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823474619	604776058	/nfs/dbraw/zinc/77/60/58/604776058.db2.gz	QMGPLTSZMBYDNG-MRVPVSSYSA-N	-1	0	307.144	0.780	20	30		DCEDRM
C#CCN1CCN(C(=O)Cn2cc(C(=O)[O-])nc2C2CC2)CC1	ZINC000833364924	604868468	/nfs/dbraw/zinc/86/84/68/604868468.db2.gz	VEIIPMHXCZLOOH-UHFFFAOYSA-N	-1	0	316.361	0.236	20	30		DCEDRM
CC[C@H](C)[C@@H](NC(=O)CN1CCN(CCC#N)CC1)C(=O)[O-]	ZINC000833640212	604927450	/nfs/dbraw/zinc/92/74/50/604927450.db2.gz	VOPSUEZMRQUQDM-GXTWGEPZSA-N	-1	0	310.398	0.133	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833465161	604977777	/nfs/dbraw/zinc/97/77/77/604977777.db2.gz	HPJKHXGSEYOXNE-UKRRQHHQSA-N	-1	0	311.382	0.198	20	30		DCEDRM
CCS(=O)(=O)c1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000833665999	605005843	/nfs/dbraw/zinc/00/58/43/605005843.db2.gz	PCTJWQPRPSKDPC-UHFFFAOYSA-N	-1	0	310.331	0.531	20	30		DCEDRM
C#CCSCCNS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833367897	605036687	/nfs/dbraw/zinc/03/66/87/605036687.db2.gz	AVWNWJVOEYVACK-UHFFFAOYSA-N	-1	0	306.390	0.486	20	30		DCEDRM
C=CCOc1cccnc1C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000833378494	605172327	/nfs/dbraw/zinc/17/23/27/605172327.db2.gz	GTFPRANBJLVGPL-UHFFFAOYSA-N	-1	0	303.278	0.644	20	30		DCEDRM
C#CCCN1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	ZINC000833362221	605192332	/nfs/dbraw/zinc/19/23/32/605192332.db2.gz	GMYKNJBPRKAXEB-AWEZNQCLSA-N	-1	0	309.410	0.243	20	30		DCEDRM
C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000833377177	605229479	/nfs/dbraw/zinc/22/94/79/605229479.db2.gz	PFZCSJZXMZSFPI-UHFFFAOYSA-N	-1	0	319.317	0.050	20	30		DCEDRM
COC(=O)C1=C(C)O[C@H](Cn2cc(C(=O)[O-])cc(C#N)c2=O)C1	ZINC000833702860	605236116	/nfs/dbraw/zinc/23/61/16/605236116.db2.gz	AREQZXXYDDUFTF-NSHDSACASA-N	-1	0	318.285	0.654	20	30		DCEDRM
N#C[C@@]1(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CCSC1	ZINC000831075993	605263580	/nfs/dbraw/zinc/26/35/80/605263580.db2.gz	FQTUBWPCNLSGEK-GWCFXTLKSA-N	-1	0	313.379	0.661	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833378949	605273488	/nfs/dbraw/zinc/27/34/88/605273488.db2.gz	YPXBIVKQHBYJQT-UHFFFAOYSA-N	-1	0	315.351	0.446	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)Nc1cncc(C(=O)[O-])c1	ZINC000833378403	605273653	/nfs/dbraw/zinc/27/36/53/605273653.db2.gz	MYKAGEWDHJAKOY-UHFFFAOYSA-N	-1	0	313.335	0.502	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)C=C2CN(C(=O)[O-])C2)C(N)=O)cc1	ZINC000833972461	605314247	/nfs/dbraw/zinc/31/42/47/605314247.db2.gz	DMHNQQNZDNARJU-CYBMUJFWSA-N	-1	0	315.285	0.548	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)OCC	ZINC000833367438	605541627	/nfs/dbraw/zinc/54/16/27/605541627.db2.gz	LHQJKYIYTKUVNS-GFCCVEGCSA-N	-1	0	308.338	0.731	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000833968662	605685404	/nfs/dbraw/zinc/68/54/04/605685404.db2.gz	XELRCSQZMBRUSR-RAIGVLPGSA-N	-1	0	320.305	0.720	20	30		DCEDRM
Cc1onc(CC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)c1C#N	ZINC000833937005	605695829	/nfs/dbraw/zinc/69/58/29/605695829.db2.gz	TZZWJHONIZGNCJ-JTQLQIEISA-N	-1	0	306.322	0.856	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)/C=C\c1ccc(O)c(O)c1	ZINC000833966947	605697960	/nfs/dbraw/zinc/69/79/60/605697960.db2.gz	OUWUEVVQMORVLT-MORRKMRCSA-N	-1	0	317.301	0.825	20	30		DCEDRM
Cc1onc(CC(=O)N2CC[C@H]([C@H](C)NC(=O)[O-])C2)c1C#N	ZINC000833937254	605699919	/nfs/dbraw/zinc/69/99/19/605699919.db2.gz	VDZMMDRUQMNHSY-WPRPVWTQSA-N	-1	0	306.322	0.902	20	30		DCEDRM
CCCN(C(=O)Cn1cnc(C#N)n1)[C@H]1CCN(C(=O)[O-])C1	ZINC000826867810	605700274	/nfs/dbraw/zinc/70/02/74/605700274.db2.gz	ZQBYNEOVNUTOEN-JTQLQIEISA-N	-1	0	306.326	0.141	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)NCC2CN(C(=O)[O-])C2)ccc1F	ZINC000833974234	605726261	/nfs/dbraw/zinc/72/62/61/605726261.db2.gz	ILYIOOSVVIWQIH-UHFFFAOYSA-N	-1	0	313.310	0.585	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000833721512	605758872	/nfs/dbraw/zinc/75/88/72/605758872.db2.gz	WDKSORZDLXUTNS-HIFRSBDPSA-N	-1	0	306.318	0.588	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)ccc1Cl	ZINC000833974686	605940768	/nfs/dbraw/zinc/94/07/68/605940768.db2.gz	NBMPGCWEEAEFMQ-UHFFFAOYSA-N	-1	0	322.708	0.629	20	30		DCEDRM
N#C[C@H]1CSCCN1C(=O)c1csc(CNC(=O)[O-])n1	ZINC000833968647	605973275	/nfs/dbraw/zinc/97/32/75/605973275.db2.gz	WYXZJANGJMJUPV-ZETCQYMHSA-N	-1	0	312.376	0.992	20	30		DCEDRM
C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000824866879	608116942	/nfs/dbraw/zinc/11/69/42/608116942.db2.gz	NWGBHRSZSMSFRM-XPUUQOCRSA-N	-1	0	314.309	0.405	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1cnc2ccccn12	ZINC000826383072	609176660	/nfs/dbraw/zinc/17/66/60/609176660.db2.gz	IZUOQKQPMGQHBP-UHFFFAOYSA-N	-1	0	306.293	0.213	20	30		DCEDRM
CC#CCN1CC(CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1	ZINC001031753934	665451930	/nfs/dbraw/zinc/45/19/30/665451930.db2.gz	GLWSZYYEDKYHQL-UHFFFAOYSA-N	-1	0	300.362	0.745	20	30		DCEDRM
C[C@@H]1CO[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)C1	ZINC000892412433	658354559	/nfs/dbraw/zinc/35/45/59/658354559.db2.gz	ZGJCRUFMMYFLNC-GXFFZTMASA-N	-1	0	308.359	0.929	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC000939398232	665571263	/nfs/dbraw/zinc/57/12/63/665571263.db2.gz	VJZUHVWYRTVOEH-SCZZXKLOSA-N	-1	0	305.338	0.256	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC000939398233	665571276	/nfs/dbraw/zinc/57/12/76/665571276.db2.gz	VJZUHVWYRTVOEH-WCBMZHEXSA-N	-1	0	305.338	0.256	20	30		DCEDRM
C=CCN1CCO[C@]2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)C1	ZINC000972345138	658594365	/nfs/dbraw/zinc/59/43/65/658594365.db2.gz	BEWJHUBIXXVJCC-OAHLLOKOSA-N	-1	0	306.366	0.527	20	30		DCEDRM
COC(=O)c1ccc(O)c(C=NNc2nnc(C)c(=O)[n-]2)c1	ZINC000726736210	661665314	/nfs/dbraw/zinc/66/53/14/661665314.db2.gz	DOGRVRRCZMCASG-UHFFFAOYSA-N	-1	0	303.278	0.824	20	30		DCEDRM
C[C@H]1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CCN1CC#N	ZINC000947787751	661895255	/nfs/dbraw/zinc/89/52/55/661895255.db2.gz	CRRJOBUWXFOFOC-WDEREUQCSA-N	-1	0	314.349	0.129	20	30		DCEDRM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000867568848	661924134	/nfs/dbraw/zinc/92/41/34/661924134.db2.gz	QEPWJMRFFHWOSI-JTQLQIEISA-N	-1	0	315.347	0.773	20	30		DCEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000048518749	661924359	/nfs/dbraw/zinc/92/43/59/661924359.db2.gz	MZUATWLPTSOSRL-ZCFIWIBFSA-N	-1	0	305.381	0.521	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)s1	ZINC000728147665	662354644	/nfs/dbraw/zinc/35/46/44/662354644.db2.gz	HKVQKCHMNFSVNR-SECBINFHSA-N	-1	0	323.374	0.712	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000909564450	662368363	/nfs/dbraw/zinc/36/83/63/662368363.db2.gz	FANLARIGSGBNMD-WFGGJUAMSA-N	-1	0	309.362	0.917	20	30		DCEDRM
CN(CC#N)C1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC000985752703	662508700	/nfs/dbraw/zinc/50/87/00/662508700.db2.gz	APPCQFSHCQAELX-UHFFFAOYSA-N	-1	0	315.333	0.988	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CC[C@@H](NCC#N)[C@H]2C)cc1=O	ZINC000986503107	662594845	/nfs/dbraw/zinc/59/48/45/662594845.db2.gz	QFFDXFHSKCJCSP-TZMCWYRMSA-N	-1	0	319.409	0.477	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)c1[O-]	ZINC000937831581	662827967	/nfs/dbraw/zinc/82/79/67/662827967.db2.gz	JWNFNEUVBZGYNS-NSHDSACASA-N	-1	0	302.334	0.168	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)OC)c1	ZINC000729893611	662911919	/nfs/dbraw/zinc/91/19/19/662911919.db2.gz	HDJLYVHEYQFQCQ-UHFFFAOYSA-N	-1	0	313.331	0.481	20	30		DCEDRM
N#Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](CCO)C(=O)[O-]	ZINC000040699525	663043151	/nfs/dbraw/zinc/04/31/51/663043151.db2.gz	YTUFZKORGCPZFK-SECBINFHSA-N	-1	0	318.738	0.326	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)ccc1F	ZINC000899938759	663203089	/nfs/dbraw/zinc/20/30/89/663203089.db2.gz	DDUVWZOCTPHLHP-IAZYJMLFSA-N	-1	0	310.306	0.648	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nc1	ZINC000900400407	663241230	/nfs/dbraw/zinc/24/12/30/663241230.db2.gz	MTELQLXPGCWYCO-UONOGXRCSA-N	-1	0	313.357	0.992	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000990856659	663268443	/nfs/dbraw/zinc/26/84/43/663268443.db2.gz	YMEZCUODZQVNQZ-UHFFFAOYSA-N	-1	0	306.366	0.967	20	30		DCEDRM
COCCN(CCC(=O)[O-])c1nc2c(cc1C#N)COCC2	ZINC000900979100	663299831	/nfs/dbraw/zinc/29/98/31/663299831.db2.gz	ABKXBWWTTLZYCP-UHFFFAOYSA-N	-1	0	305.334	0.953	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1cc(F)ccc1OC	ZINC000905996487	663594585	/nfs/dbraw/zinc/59/45/85/663594585.db2.gz	GZJMVJRREBFOFQ-UHFFFAOYSA-N	-1	0	315.322	0.684	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)C1	ZINC000906007005	663595199	/nfs/dbraw/zinc/59/51/99/663595199.db2.gz	PAWQHDQXKJFWOU-WDEREUQCSA-N	-1	0	303.380	0.846	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1CC	ZINC000907014979	663660473	/nfs/dbraw/zinc/66/04/73/663660473.db2.gz	MJRAAJLXWXLVGT-ZDUSSCGKSA-N	-1	0	323.370	0.970	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)C1	ZINC000907129823	663669827	/nfs/dbraw/zinc/66/98/27/663669827.db2.gz	ZALCLTTWBAXKQK-UHFFFAOYSA-N	-1	0	313.306	0.201	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)C1	ZINC000907128967	663669975	/nfs/dbraw/zinc/66/99/75/663669975.db2.gz	UOYXFHCWANTJAZ-UHFFFAOYSA-N	-1	0	301.345	0.123	20	30		DCEDRM
C#CCN(C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1)C1CC1	ZINC000907400233	663692645	/nfs/dbraw/zinc/69/26/45/663692645.db2.gz	KVBNKQRWNCGIJZ-UHFFFAOYSA-N	-1	0	311.345	0.810	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCC(C)(C)N1CCOCC1)C(=O)[O-]	ZINC000908746706	663767839	/nfs/dbraw/zinc/76/78/39/663767839.db2.gz	DCQUKVAYNKMRKX-LBPRGKRZSA-N	-1	0	313.398	0.816	20	30		DCEDRM
C=CCCOCCNC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000909118177	663781665	/nfs/dbraw/zinc/78/16/65/663781665.db2.gz	ZNSQMLNTSARISS-UHFFFAOYSA-N	-1	0	300.355	0.854	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NCC1(COC)CCOCC1	ZINC000909161784	663784837	/nfs/dbraw/zinc/78/48/37/663784837.db2.gz	BIHUDVRJLUPPHU-UHFFFAOYSA-N	-1	0	300.355	0.712	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1C[C@@H](OC)C12CCC2)C(=O)[O-]	ZINC000909234493	663788380	/nfs/dbraw/zinc/78/83/80/663788380.db2.gz	SMQDNXHAACWVHA-SDDRHHMPSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C#CC[C@H](NC(=O)CNC(=O)CCc1ccc(C)cc1)C(=O)[O-]	ZINC000910054686	663837893	/nfs/dbraw/zinc/83/78/93/663837893.db2.gz	RUCONUNSXQYYDK-AWEZNQCLSA-N	-1	0	316.357	0.637	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1COc2cc(OC)ccc2C1)C(=O)[O-]	ZINC000910054019	663837944	/nfs/dbraw/zinc/83/79/44/663837944.db2.gz	HPNXMOMQLDGAHQ-AAEUAGOBSA-N	-1	0	303.314	0.839	20	30		DCEDRM
C#CC[C@H](NC(=O)C1([C@@H]2CCCCO2)CCOCC1)C(=O)[O-]	ZINC000910048941	663840516	/nfs/dbraw/zinc/84/05/16/663840516.db2.gz	PMENCVATJYKNNQ-STQMWFEESA-N	-1	0	309.362	0.945	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](Cc1cccc(OC)c1)C(=O)[O-]	ZINC000910210007	663857191	/nfs/dbraw/zinc/85/71/91/663857191.db2.gz	QYJMEGMYZXCGQQ-RISCZKNCSA-N	-1	0	305.330	0.845	20	30		DCEDRM
C#CCCN1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC000910345413	663872481	/nfs/dbraw/zinc/87/24/81/663872481.db2.gz	MUJQISQNKOCSBV-UHFFFAOYSA-N	-1	0	304.306	0.833	20	30		DCEDRM
C=CCN(CC(=O)[O-])c1cc(N2CCC(C)(O)CC2)ncn1	ZINC000910396190	663879300	/nfs/dbraw/zinc/87/93/00/663879300.db2.gz	TUXQSPDRYCQDDI-UHFFFAOYSA-N	-1	0	306.366	0.905	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1	ZINC000911395491	664047546	/nfs/dbraw/zinc/04/75/46/664047546.db2.gz	RIOKXTAEEXICLX-ZDUSSCGKSA-N	-1	0	305.330	0.881	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)C2(C(=O)[O-])CCOCC2)n1	ZINC000911721959	664102587	/nfs/dbraw/zinc/10/25/87/664102587.db2.gz	VBJKUARTHYZUPI-UHFFFAOYSA-N	-1	0	319.361	0.746	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@@H](CO)NC(=O)OCc1ccccc1	ZINC000912627324	664198383	/nfs/dbraw/zinc/19/83/83/664198383.db2.gz	CNXAPTNOTHMOLG-CYBMUJFWSA-N	-1	0	308.334	0.898	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H]2CCC[C@H](NCC#N)[C@@H]2C1	ZINC000992785969	664768594	/nfs/dbraw/zinc/76/85/94/664768594.db2.gz	JGMFDPWIUHNFTA-XQQFMLRXSA-N	-1	0	315.377	0.845	20	30		DCEDRM
C[C@H]1[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CCCN1CC#N	ZINC000993950250	665021709	/nfs/dbraw/zinc/02/17/09/665021709.db2.gz	LWUCOBQYUNKBNO-JQWIXIFHSA-N	-1	0	314.349	0.129	20	30		DCEDRM
CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000916777510	665093375	/nfs/dbraw/zinc/09/33/75/665093375.db2.gz	IEMJZWVEASQWDY-SNVBAGLBSA-N	-1	0	323.374	0.419	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cncn2)cc1	ZINC000916892816	665099409	/nfs/dbraw/zinc/09/94/09/665099409.db2.gz	QHUJNFRONHAAFC-ZDUSSCGKSA-N	-1	0	313.317	0.352	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccc2c1OCO2	ZINC000917423699	665132507	/nfs/dbraw/zinc/13/25/07/665132507.db2.gz	ZAMJCOFHKYRQAP-NSHDSACASA-N	-1	0	304.302	0.890	20	30		DCEDRM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1c[nH]c(C(N)=O)c1	ZINC000917424098	665132513	/nfs/dbraw/zinc/13/25/13/665132513.db2.gz	BUWCNRSTXMAMPU-LLVKDONJSA-N	-1	0	302.334	0.885	20	30		DCEDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000734088333	666847654	/nfs/dbraw/zinc/84/76/54/666847654.db2.gz	BJUFDYQSMKHEBJ-UHFFFAOYSA-N	-1	0	310.331	0.571	20	30		DCEDRM
CCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@H]1CCN(CC#N)C1	ZINC001034018210	666894923	/nfs/dbraw/zinc/89/49/23/666894923.db2.gz	DDUUBEAITLCNHT-JTQLQIEISA-N	-1	0	315.333	0.988	20	30		DCEDRM
CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)Cc2ccc(C#N)nc2)CO1	ZINC000861137310	666901010	/nfs/dbraw/zinc/90/10/10/666901010.db2.gz	OXJICAURHMFDCI-LBPRGKRZSA-N	-1	0	323.374	0.509	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-c2ncon2)cc1	ZINC000788071078	666994344	/nfs/dbraw/zinc/99/43/44/666994344.db2.gz	NWNDGGTYJRIIMG-UHFFFAOYSA-N	-1	0	305.315	0.820	20	30		DCEDRM
O=[N+]([O-])c1ccc(C=NN[C@@H]2CCCS(=O)(=O)C2)cc1[O-]	ZINC000863131116	667112966	/nfs/dbraw/zinc/11/29/66/667112966.db2.gz	XSYIFYFDFKKZKD-SNVBAGLBSA-N	-1	0	313.335	0.801	20	30		DCEDRM
CCC(=O)N1CCC[C@H](C(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC000119501266	667152681	/nfs/dbraw/zinc/15/26/81/667152681.db2.gz	GFDKEXVOXNXUIY-NWDGAFQWSA-N	-1	0	316.361	0.960	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)c1c([N+](=O)[O-])c(C)nn1C)C(=O)[O-]	ZINC000864183401	667222377	/nfs/dbraw/zinc/22/23/77/667222377.db2.gz	JSNJWYIGKYUSAN-SSDOTTSWSA-N	-1	0	316.701	0.962	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC000864186593	667222952	/nfs/dbraw/zinc/22/29/52/667222952.db2.gz	SPQXMCMQJRVUJK-MRVPVSSYSA-N	-1	0	315.761	0.683	20	30		DCEDRM
C#CCCCCNC(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC000864525661	667258842	/nfs/dbraw/zinc/25/88/42/667258842.db2.gz	IOKUSWNKDMKORL-NWDGAFQWSA-N	-1	0	310.350	0.838	20	30		DCEDRM
C=CCOCCC[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000867515014	667409482	/nfs/dbraw/zinc/40/94/82/667409482.db2.gz	GDSLPIIQRBMSLN-UHFFFAOYSA-N	-1	0	303.336	0.937	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC[C@@H]1NCC#N	ZINC001036260266	667433513	/nfs/dbraw/zinc/43/35/13/667433513.db2.gz	LVVHLTPAECHNMI-ZJUUUORDSA-N	-1	0	315.333	0.892	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCc1ccc(OC)nc1)C(=O)[O-]	ZINC000923079518	667460986	/nfs/dbraw/zinc/46/09/86/667460986.db2.gz	QYSGRSMTBDBMTK-LBPRGKRZSA-N	-1	0	308.334	0.795	20	30		DCEDRM
C#CCN1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1	ZINC000121734374	667480735	/nfs/dbraw/zinc/48/07/35/667480735.db2.gz	GDEACCAVYXNYHH-UHFFFAOYSA-N	-1	0	310.357	0.969	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1	ZINC000838911841	667717119	/nfs/dbraw/zinc/71/71/19/667717119.db2.gz	AWSNVASBLZXUFB-UHFFFAOYSA-N	-1	0	306.347	0.812	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)[C@H](CCC)C(=O)OCC	ZINC000838888838	667718334	/nfs/dbraw/zinc/71/83/34/667718334.db2.gz	CKRXXSCQXRECPP-SNVBAGLBSA-N	-1	0	307.368	0.367	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)[C@@H](C)CC)CC1	ZINC000870838189	667765468	/nfs/dbraw/zinc/76/54/68/667765468.db2.gz	PAKCBZOBIJMGMS-ONGXEEELSA-N	-1	0	302.396	0.702	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CC2(CS(C)(=O)=O)CC2)CC1	ZINC000870834600	667765500	/nfs/dbraw/zinc/76/55/00/667765500.db2.gz	JNSBKQZMRCABFK-UHFFFAOYSA-N	-1	0	321.420	0.366	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C/c2cnc(OC)nc2)CC1	ZINC000870835646	667765510	/nfs/dbraw/zinc/76/55/10/667765510.db2.gz	HYTFEWCZOOIAAB-SNAWJCMRSA-N	-1	0	309.347	0.663	20	30		DCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)nnn1C	ZINC000744007599	667819167	/nfs/dbraw/zinc/81/91/67/667819167.db2.gz	JKMUBNQCYMGNMC-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)nnn1C	ZINC000744007884	667819389	/nfs/dbraw/zinc/81/93/89/667819389.db2.gz	WTFRKDLXHLHZJB-UHFFFAOYSA-N	-1	0	319.346	0.255	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000744093921	667820028	/nfs/dbraw/zinc/82/00/28/667820028.db2.gz	RATJMZOHWDWHLW-GFCCVEGCSA-N	-1	0	305.396	0.984	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)[C@H]1CCCO1	ZINC000871943989	667858373	/nfs/dbraw/zinc/85/83/73/667858373.db2.gz	XBDVCQMMGOIBJR-UONOGXRCSA-N	-1	0	323.370	0.773	20	30		DCEDRM
N#CCn1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cn1	ZINC000747408353	667902296	/nfs/dbraw/zinc/90/22/96/667902296.db2.gz	WSLCKMPJMNVVES-UHFFFAOYSA-N	-1	0	318.318	0.789	20	30		DCEDRM
O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1[O-]	ZINC000750537543	667981643	/nfs/dbraw/zinc/98/16/43/667981643.db2.gz	OKHJECHGGPKDPE-SQFISAMPSA-N	-1	0	319.292	0.788	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)s2)cn1	ZINC000750743855	667986990	/nfs/dbraw/zinc/98/69/90/667986990.db2.gz	WBTYCINCYAAZBZ-UHFFFAOYSA-N	-1	0	310.360	0.955	20	30		DCEDRM
CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000755586729	668062756	/nfs/dbraw/zinc/06/27/56/668062756.db2.gz	ZBQAVUUSMUOMJG-CYBMUJFWSA-N	-1	0	323.374	0.084	20	30		DCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)CCOC1	ZINC000755642102	668063191	/nfs/dbraw/zinc/06/31/91/668063191.db2.gz	BRHNTEZGXSZEKZ-AWEZNQCLSA-N	-1	0	308.359	0.931	20	30		DCEDRM
O=C([O-])c1csc(C=NNc2nc3[nH][nH]cc-3c(=O)n2)c1	ZINC000755703468	668064055	/nfs/dbraw/zinc/06/40/55/668064055.db2.gz	KISUYALOEJAIID-UHFFFAOYSA-N	-1	0	304.291	0.638	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2cnccn2)cc1	ZINC000758564534	668183843	/nfs/dbraw/zinc/18/38/43/668183843.db2.gz	FCOZINONNREBDD-UHFFFAOYSA-N	-1	0	318.314	0.232	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)co1	ZINC000760198691	668262685	/nfs/dbraw/zinc/26/26/85/668262685.db2.gz	ZFIDKSMPKJYUJB-NSHDSACASA-N	-1	0	322.317	0.931	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)cc1	ZINC000761004438	668298742	/nfs/dbraw/zinc/29/87/42/668298742.db2.gz	NKNWQQOXQQWVHK-GFCCVEGCSA-N	-1	0	321.358	0.030	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)cc1	ZINC000764174349	668436722	/nfs/dbraw/zinc/43/67/22/668436722.db2.gz	SVOPAMSMWKPNQN-NSHDSACASA-N	-1	0	311.359	0.793	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)c1cccc(C(=O)[O-])c1	ZINC000764692187	668457676	/nfs/dbraw/zinc/45/76/76/668457676.db2.gz	NABJNGSXOHLPRS-UHFFFAOYSA-N	-1	0	308.363	0.319	20	30		DCEDRM
CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000766988022	668556124	/nfs/dbraw/zinc/55/61/24/668556124.db2.gz	GXPAVPRSJYHECC-WDEREUQCSA-N	-1	0	324.358	0.797	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])cn1C	ZINC000770872011	668720702	/nfs/dbraw/zinc/72/07/02/668720702.db2.gz	QPSBOBAPDXKHEH-SECBINFHSA-N	-1	0	301.262	0.872	20	30		DCEDRM
CCc1ncncc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771077980	668730103	/nfs/dbraw/zinc/73/01/03/668730103.db2.gz	HQZGRUOLIXTEHY-UHFFFAOYSA-N	-1	0	308.363	0.792	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1cnn(C)c1	ZINC000771077214	668730234	/nfs/dbraw/zinc/73/02/34/668730234.db2.gz	CIVLBPBEMCZLET-JTQLQIEISA-N	-1	0	310.379	0.663	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(OCCCOC)nc1	ZINC000772712944	668781820	/nfs/dbraw/zinc/78/18/20/668781820.db2.gz	GELCSXUZMHJNAY-UHFFFAOYSA-N	-1	0	314.363	0.743	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)c(F)c1	ZINC000772710462	668781965	/nfs/dbraw/zinc/78/19/65/668781965.db2.gz	OHDQXHMQWXWRHC-UHFFFAOYSA-N	-1	0	301.295	0.858	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H](NC(C)=O)c1cccs1	ZINC000772717864	668782117	/nfs/dbraw/zinc/78/21/17/668782117.db2.gz	UGRRNNIXUASYNG-SNVBAGLBSA-N	-1	0	316.404	0.947	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1nnn(-c2ccccc2)c1C	ZINC000772716567	668782321	/nfs/dbraw/zinc/78/23/21/668782321.db2.gz	GADXGRFTTRLHEH-UHFFFAOYSA-N	-1	0	320.374	0.750	20	30		DCEDRM
COC(=O)Cn1cc(C(C)=NNc2ccccc2C(=O)[O-])nn1	ZINC000772840043	668786439	/nfs/dbraw/zinc/78/64/39/668786439.db2.gz	ZIHCXEFEQODUSY-UHFFFAOYSA-N	-1	0	317.305	0.985	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2	ZINC000773373654	668801276	/nfs/dbraw/zinc/80/12/76/668801276.db2.gz	CDUVXDNAMXEXOT-UHFFFAOYSA-N	-1	0	304.287	0.753	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)c2n[nH]nc2C)n1	ZINC000805545152	668862807	/nfs/dbraw/zinc/86/28/07/668862807.db2.gz	GKCQHNIMVIFQQV-QMMMGPOBSA-N	-1	0	305.319	0.911	20	30		DCEDRM
CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776139443	668871733	/nfs/dbraw/zinc/87/17/33/668871733.db2.gz	RTNQMIFLNMBOPP-UHFFFAOYSA-N	-1	0	317.411	0.535	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)Cc1cn2ccccc2n1	ZINC000776143351	668871910	/nfs/dbraw/zinc/87/19/10/668871910.db2.gz	WSLSVTUBDRXWDA-UHFFFAOYSA-N	-1	0	320.374	0.873	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC000776503171	668877017	/nfs/dbraw/zinc/87/70/17/668877017.db2.gz	NLFBVSKFURUZCV-DGCLKSJQSA-N	-1	0	324.358	0.467	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)NCC[C@@H](C)C(=O)[O-]	ZINC000776588556	668878649	/nfs/dbraw/zinc/87/86/49/668878649.db2.gz	HNPVNJLNOJLQIA-SECBINFHSA-N	-1	0	312.347	0.956	20	30		DCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(F)c1C#N	ZINC000776701857	668880173	/nfs/dbraw/zinc/88/01/73/668880173.db2.gz	VBFLHZSGFXWRST-JTQLQIEISA-N	-1	0	316.310	0.417	20	30		DCEDRM
C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)CC(N)=O	ZINC000777361993	668886650	/nfs/dbraw/zinc/88/66/50/668886650.db2.gz	AKDCAIFKSOQZEX-UHFFFAOYSA-N	-1	0	314.388	0.510	20	30		DCEDRM
NC(=O)c1ccc(N=NCc2ccc(O)c(C(=O)[O-])c2)nn1	ZINC000777439622	668887362	/nfs/dbraw/zinc/88/73/62/668887362.db2.gz	WLGIHFFJKHTBHM-UHFFFAOYSA-N	-1	0	301.262	0.425	20	30		DCEDRM
CCOc1cnc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cn1	ZINC000778706791	668902990	/nfs/dbraw/zinc/90/29/90/668902990.db2.gz	GFCXXMMCYCHCCY-UHFFFAOYSA-N	-1	0	312.351	0.485	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1	ZINC000780313559	668978280	/nfs/dbraw/zinc/97/82/80/668978280.db2.gz	PZIZNGSPMHCPGV-GMXVVIOVSA-N	-1	0	316.361	0.764	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1)OCC	ZINC000781500281	669046513	/nfs/dbraw/zinc/04/65/13/669046513.db2.gz	KOLRLLOJIMZYIE-NEPJUHHUSA-N	-1	0	305.396	0.983	20	30		DCEDRM
COC(=O)COc1ccc(C=NNc2nnc(C)c(=O)[n-]2)cc1	ZINC000782222743	669085165	/nfs/dbraw/zinc/08/51/65/669085165.db2.gz	HXPDMDYOTJUGDD-UHFFFAOYSA-N	-1	0	317.305	0.883	20	30		DCEDRM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(CC(=O)NCCC#N)C1	ZINC000879762736	669104561	/nfs/dbraw/zinc/10/45/61/669104561.db2.gz	IYWGTLQGNSYFGS-NSHDSACASA-N	-1	0	306.288	0.159	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cnn(CC)c1	ZINC000783112330	669144211	/nfs/dbraw/zinc/14/42/11/669144211.db2.gz	ZRCXCDQQERLOND-CYBMUJFWSA-N	-1	0	315.395	0.937	20	30		DCEDRM
C=CCCOCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783198492	669148025	/nfs/dbraw/zinc/14/80/25/669148025.db2.gz	KMGFTTRDRGQSHP-UHFFFAOYSA-N	-1	0	302.290	0.942	20	30		DCEDRM
CC(C)(C#N)CCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000783554967	669161497	/nfs/dbraw/zinc/16/14/97/669161497.db2.gz	MZQTUBHYOPJICP-UHFFFAOYSA-N	-1	0	303.322	0.944	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@@]2(C#N)CCSC2)cc1=O	ZINC000931299749	669175631	/nfs/dbraw/zinc/17/56/31/669175631.db2.gz	VVNDMQBHLGJKBF-CQSZACIVSA-N	-1	0	308.407	0.890	20	30		DCEDRM
C[C@](O)(CC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1	ZINC000784367695	669201666	/nfs/dbraw/zinc/20/16/66/669201666.db2.gz	PEBYPZRBGUFZIR-HNNXBMFYSA-N	-1	0	316.317	0.901	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)C1(CCO)CC1)cc2=O	ZINC000784772014	669221531	/nfs/dbraw/zinc/22/15/31/669221531.db2.gz	UYHCDRIQPOLNTA-UHFFFAOYSA-N	-1	0	302.290	0.512	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2nsnc2c1	ZINC000784834527	669223332	/nfs/dbraw/zinc/22/33/32/669223332.db2.gz	GZHHXXQPFQBIDT-VIFPVBQESA-N	-1	0	304.331	0.776	20	30		DCEDRM
COC[C@H](C#N)OC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000785310019	669247294	/nfs/dbraw/zinc/24/72/94/669247294.db2.gz	KQDGFGNZQYQBAG-JTQLQIEISA-N	-1	0	304.306	0.676	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)CN2CCCCS2(=O)=O)c1	ZINC000881299799	669320342	/nfs/dbraw/zinc/32/03/42/669320342.db2.gz	WSNBOJOOGBTCLJ-UHFFFAOYSA-N	-1	0	309.347	0.394	20	30		DCEDRM
O=C([O-])COc1ccc(C=NN[C@@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000788455549	669441269	/nfs/dbraw/zinc/44/12/69/669441269.db2.gz	GPMJZNBSYSWFEJ-SNVBAGLBSA-N	-1	0	309.278	0.771	20	30		DCEDRM
C#CCOCC[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1	ZINC000882061936	669450891	/nfs/dbraw/zinc/45/08/91/669450891.db2.gz	WFPLRXGCGBPUOR-IBGZPJMESA-N	-1	0	322.452	0.901	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)cc1	ZINC000791110690	669594502	/nfs/dbraw/zinc/59/45/02/669594502.db2.gz	HGUQZUKSQILVMA-UHFFFAOYSA-N	-1	0	303.343	0.955	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H](C)NC(=O)C1CCCC1	ZINC000791107494	669594514	/nfs/dbraw/zinc/59/45/14/669594514.db2.gz	GTHAGUUVQVYABD-NSHDSACASA-N	-1	0	314.407	0.541	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(Cl)nc(N(C)C)c1	ZINC000810784130	669688262	/nfs/dbraw/zinc/68/82/62/669688262.db2.gz	SPQHXGSNWHGZSY-UHFFFAOYSA-N	-1	0	315.782	0.884	20	30		DCEDRM
COC1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CCOCC1	ZINC000793115362	669702137	/nfs/dbraw/zinc/70/21/37/669702137.db2.gz	ACDFQPZBZANGRI-UHFFFAOYSA-N	-1	0	324.358	0.559	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCCOc2cccnc2)CC1	ZINC000793204912	669707470	/nfs/dbraw/zinc/70/74/70/669707470.db2.gz	UEENLOKHEAFHBL-UHFFFAOYSA-N	-1	0	323.374	0.990	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1C	ZINC000793358389	669716125	/nfs/dbraw/zinc/71/61/25/669716125.db2.gz	OJDDHYODVYQLEI-UHFFFAOYSA-N	-1	0	311.359	0.848	20	30		DCEDRM
CC(C)n1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)nn1	ZINC000797099957	669956055	/nfs/dbraw/zinc/95/60/55/669956055.db2.gz	SWFLYNWKCAYDGD-UHFFFAOYSA-N	-1	0	311.367	0.612	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)c1ccc2c(c1)OCO2	ZINC000797197002	669959168	/nfs/dbraw/zinc/95/91/68/669959168.db2.gz	BCSHHGIVRRDZRK-SNVBAGLBSA-N	-1	0	309.343	0.988	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)OCC	ZINC000797300785	669964527	/nfs/dbraw/zinc/96/45/27/669964527.db2.gz	NNHPZZKLYDKTPK-VHSXEESVSA-N	-1	0	307.368	0.365	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000797712587	669973498	/nfs/dbraw/zinc/97/34/98/669973498.db2.gz	OKZYNEXSDHUJTF-GFCCVEGCSA-N	-1	0	319.365	0.728	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC	ZINC000802155299	670153311	/nfs/dbraw/zinc/15/33/11/670153311.db2.gz	NSFLXKCZLGAMDT-WDEREUQCSA-N	-1	0	321.395	0.613	20	30		DCEDRM
CSCCO[N-]C(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000804161642	670286970	/nfs/dbraw/zinc/28/69/70/670286970.db2.gz	MJXWEFZFPLVGCX-UHFFFAOYSA-N	-1	0	311.338	0.724	20	30		DCEDRM
C#CCOCCC(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000807384375	670359905	/nfs/dbraw/zinc/35/99/05/670359905.db2.gz	HKXURGCRZWMJDC-UHFFFAOYSA-N	-1	0	312.347	0.279	20	30		DCEDRM
COCCCO[N-]C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000807435444	670361738	/nfs/dbraw/zinc/36/17/38/670361738.db2.gz	MEVZDWJBFNRBTO-UHFFFAOYSA-N	-1	0	323.353	0.533	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cccn2)cc1	ZINC000810772881	670496546	/nfs/dbraw/zinc/49/65/46/670496546.db2.gz	IYKZCKBDSAMZQV-UHFFFAOYSA-N	-1	0	317.370	0.884	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(CCC(F)(F)F)c1	ZINC000810771551	670496601	/nfs/dbraw/zinc/49/66/01/670496601.db2.gz	LOKBZJYGNRJEFP-UHFFFAOYSA-N	-1	0	323.296	0.918	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccccc1	ZINC000810776504	670497177	/nfs/dbraw/zinc/49/71/77/670497177.db2.gz	VYLBZDIDEOVQIF-UHFFFAOYSA-N	-1	0	322.386	0.666	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(CCC(F)(F)F)c1	ZINC000810779699	670497447	/nfs/dbraw/zinc/49/74/47/670497447.db2.gz	XYNOKJVWHQHSLM-UHFFFAOYSA-N	-1	0	323.296	0.918	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc2c1oc(=O)n2C	ZINC000810778389	670497529	/nfs/dbraw/zinc/49/75/29/670497529.db2.gz	VZYQEWCDQDDELU-UHFFFAOYSA-N	-1	0	308.315	0.214	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)n1nnnc1C(C)(C)C	ZINC000810778399	670497563	/nfs/dbraw/zinc/49/75/63/670497563.db2.gz	WLKSCLUKZQVKCU-SECBINFHSA-N	-1	0	313.383	0.001	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(NC(=O)C2CC2)c1	ZINC000810778788	670497589	/nfs/dbraw/zinc/49/75/89/670497589.db2.gz	MHTGWXIKUJDHOS-UHFFFAOYSA-N	-1	0	321.358	0.513	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1cccc([N+](=O)[O-])c1	ZINC000810782486	670497678	/nfs/dbraw/zinc/49/76/78/670497678.db2.gz	OCNYRTHYYZVJNE-UHFFFAOYSA-N	-1	0	310.331	0.997	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCn2ccccc2=O)CC1	ZINC000810982946	670501798	/nfs/dbraw/zinc/50/17/98/670501798.db2.gz	AFSGGMHQGDMQSL-UHFFFAOYSA-N	-1	0	310.375	0.793	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CNC(=O)c2ccccc2)CC1	ZINC000810981034	670501930	/nfs/dbraw/zinc/50/19/30/670501930.db2.gz	KLOAIQBAPCWEAL-UHFFFAOYSA-N	-1	0	322.386	0.971	20	30		DCEDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCCC#N)cc1	ZINC000847675517	670589122	/nfs/dbraw/zinc/58/91/22/670589122.db2.gz	FZYMRGFRNFVHFY-UHFFFAOYSA-N	-1	0	323.374	0.935	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1	ZINC000812786493	670595915	/nfs/dbraw/zinc/59/59/15/670595915.db2.gz	LWKBVKPVRXWQEV-HIFRSBDPSA-N	-1	0	302.330	0.896	20	30		DCEDRM
CC(C)OCCO[N-]C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000812804902	670597914	/nfs/dbraw/zinc/59/79/14/670597914.db2.gz	FGTUFSFVQDKHDZ-UHFFFAOYSA-N	-1	0	305.334	0.761	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCOCC(F)F)c1	ZINC000813980446	670667841	/nfs/dbraw/zinc/66/78/41/670667841.db2.gz	FTQXDJQKSIUIGI-UHFFFAOYSA-N	-1	0	319.289	0.430	20	30		DCEDRM
C#CCN1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1	ZINC000112921197	670671516	/nfs/dbraw/zinc/67/15/16/670671516.db2.gz	ONBMEXIEKNOANI-UHFFFAOYSA-N	-1	0	321.402	0.449	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)[N-]OCCOCC	ZINC000814180759	670678814	/nfs/dbraw/zinc/67/88/14/670678814.db2.gz	PDHJQPUCLGQIDV-NEPJUHHUSA-N	-1	0	300.355	0.168	20	30		DCEDRM
C[C@@H]1C(=NNC(=S)NCC(N)=O)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814844367	670704877	/nfs/dbraw/zinc/70/48/77/670704877.db2.gz	HGUKYWHYFZHDPY-HTQZYQBOSA-N	-1	0	314.411	0.449	20	30		DCEDRM
CC(CCc1ccc(OCCC(=O)[O-])cc1)=NNCC(N)=O	ZINC000814903794	670707869	/nfs/dbraw/zinc/70/78/69/670707869.db2.gz	AOEQUTDKJITWKF-UHFFFAOYSA-N	-1	0	307.350	0.924	20	30		DCEDRM
C#CCO[N-]C(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O	ZINC000855606598	670734611	/nfs/dbraw/zinc/73/46/11/670734611.db2.gz	KZOWRJFELLDGGU-UHFFFAOYSA-N	-1	0	317.301	0.245	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1F	ZINC000849219177	670765845	/nfs/dbraw/zinc/76/58/45/670765845.db2.gz	LNKROUOTVIUAFN-UHFFFAOYSA-N	-1	0	303.286	0.814	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(C)nn(C)c1Cl	ZINC000849219123	670766060	/nfs/dbraw/zinc/76/60/60/670766060.db2.gz	IPXMIBSODYBLNH-UHFFFAOYSA-N	-1	0	305.743	0.090	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ncccc1C(F)(F)F	ZINC000849219557	670766743	/nfs/dbraw/zinc/76/67/43/670766743.db2.gz	PZZPBJUVNZESGQ-UHFFFAOYSA-N	-1	0	322.264	0.809	20	30		DCEDRM
CCn1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)n1	ZINC000815895304	670770391	/nfs/dbraw/zinc/77/03/91/670770391.db2.gz	MRCUMQZMHXRSPL-UHFFFAOYSA-N	-1	0	319.346	0.429	20	30		DCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)n1	ZINC000815905051	670771601	/nfs/dbraw/zinc/77/16/01/670771601.db2.gz	YKCRCWNJPMDQMB-NSHDSACASA-N	-1	0	307.354	0.552	20	30		DCEDRM
Cc1c(C([O-])=C(C#N)C(=O)NC(C)C)nnn1-c1ccn(C)n1	ZINC000815909799	670772174	/nfs/dbraw/zinc/77/21/74/670772174.db2.gz	IVDYCHIUQYVUMX-SNVBAGLBSA-N	-1	0	315.337	0.156	20	30		DCEDRM
C=CCCO[N-]C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000856028260	670776829	/nfs/dbraw/zinc/77/68/29/670776829.db2.gz	PKTOSOARCLGUTP-UHFFFAOYSA-N	-1	0	323.305	0.957	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000856032799	670777885	/nfs/dbraw/zinc/77/78/85/670777885.db2.gz	QUBPGKDOBLGXJR-LLVKDONJSA-N	-1	0	323.374	0.849	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnc(NC(=O)C(C)C)c1	ZINC000815997788	670779028	/nfs/dbraw/zinc/77/90/28/670779028.db2.gz	WWWJOPAVFQHDNK-UHFFFAOYSA-N	-1	0	311.363	0.922	20	30		DCEDRM
N#CC1(CC(=O)OCCOCC[N-]C(=O)C(F)(F)F)CC1	ZINC000816008072	670779845	/nfs/dbraw/zinc/77/98/45/670779845.db2.gz	KPYBBMWQFYZEBT-UHFFFAOYSA-N	-1	0	308.256	0.919	20	30		DCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2ncc(C#N)cc2C)cnn1C	ZINC000816094905	670786596	/nfs/dbraw/zinc/78/65/96/670786596.db2.gz	ITNFGRZNUBPAQC-UHFFFAOYSA-N	-1	0	319.346	0.422	20	30		DCEDRM
COC(=O)N1CCC(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC000856919530	670863464	/nfs/dbraw/zinc/86/34/64/670863464.db2.gz	FIGJKKXNQSVJJI-UHFFFAOYSA-N	-1	0	302.294	0.570	20	30		DCEDRM
CCOCCn1cc(C([O-])=C(C#N)C(=O)c2nccn2C)cn1	ZINC000857013249	670874393	/nfs/dbraw/zinc/87/43/93/670874393.db2.gz	KUWPIGURJLVPPN-GFCCVEGCSA-N	-1	0	315.333	0.858	20	30		DCEDRM
C#C[C@H](CCC)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000850787675	670940343	/nfs/dbraw/zinc/94/03/43/670940343.db2.gz	WIDHIOYBNNWSBW-SNVBAGLBSA-N	-1	0	320.349	0.559	20	30		DCEDRM
CC(=O)N[C@H](CCC(C)C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000850926808	670955311	/nfs/dbraw/zinc/95/53/11/670955311.db2.gz	TVJLGLWBWBFORC-GFCCVEGCSA-N	-1	0	317.411	0.677	20	30		DCEDRM
Cn1nnc2cc(S(=O)(=O)[N-]C(=O)CCCC#N)ccc21	ZINC000851175724	670972746	/nfs/dbraw/zinc/97/27/46/670972746.db2.gz	WICWXXWWFOHBJG-UHFFFAOYSA-N	-1	0	307.335	0.467	20	30		DCEDRM
C=CCn1cc(CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)nn1	ZINC000819608040	671129922	/nfs/dbraw/zinc/12/99/22/671129922.db2.gz	IWVLINRVQHISHH-UHFFFAOYSA-N	-1	0	319.287	0.537	20	30		DCEDRM
COC1CC(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000860448738	671209676	/nfs/dbraw/zinc/20/96/76/671209676.db2.gz	XWZZFKGIGZTIKN-UHFFFAOYSA-N	-1	0	308.359	0.929	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@]1(C2CCCC2)CCNC1=O	ZINC000860751969	671235256	/nfs/dbraw/zinc/23/52/56/671235256.db2.gz	IRPUEAWQJNSRNS-CYBMUJFWSA-N	-1	0	313.379	0.043	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cccc(NC(C)=O)c1	ZINC000820896454	671236506	/nfs/dbraw/zinc/23/65/06/671236506.db2.gz	SGAHDFBBCJBZQY-UHFFFAOYSA-N	-1	0	308.359	0.657	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)COCC(F)F)c1	ZINC000860784671	671238594	/nfs/dbraw/zinc/23/85/94/671238594.db2.gz	DPLCWBWIJIXBBD-UHFFFAOYSA-N	-1	0	305.262	0.040	20	30		DCEDRM
C#C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)[C@H]1CCCO1	ZINC000860943061	671252007	/nfs/dbraw/zinc/25/20/07/671252007.db2.gz	QIXRGHQPKDPUPB-NWDGAFQWSA-N	-1	0	323.374	0.364	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2C(=O)O1	ZINC000821584113	671284820	/nfs/dbraw/zinc/28/48/20/671284820.db2.gz	RSMHYQJDFMTZKA-LLVKDONJSA-N	-1	0	308.315	0.128	20	30		DCEDRM
CC[C@H]1CCCCN1C(=O)Cn1cnc(C#N)c1-c1nn[nH]n1	ZINC000825195753	671452536	/nfs/dbraw/zinc/45/25/36/671452536.db2.gz	YPWKFXZGKHAHBJ-JTQLQIEISA-N	-1	0	314.353	0.726	20	30		DCEDRM
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(=O)[nH][n-]2)[C@H](C#N)C1	ZINC000829694321	671584347	/nfs/dbraw/zinc/58/43/47/671584347.db2.gz	LJBYULAHDVVVLQ-SECBINFHSA-N	-1	0	321.337	0.700	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]OCCO)cc1Br	ZINC000829763332	671588017	/nfs/dbraw/zinc/58/80/17/671588017.db2.gz	JBISPABHPUWDKW-UHFFFAOYSA-N	-1	0	315.123	0.740	20	30		DCEDRM
CN(C(=O)CN(CC#N)CC(=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000830478570	671629825	/nfs/dbraw/zinc/62/98/25/671629825.db2.gz	TUEJCHFXXJEOCN-UHFFFAOYSA-N	-1	0	306.278	0.468	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])n1	ZINC000831162070	671656693	/nfs/dbraw/zinc/65/66/93/671656693.db2.gz	VZICTDVIXVYJIP-ZJUUUORDSA-N	-1	0	306.326	0.092	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000832769362	671740557	/nfs/dbraw/zinc/74/05/57/671740557.db2.gz	FFFKGIYXJVXNAL-CYBMUJFWSA-N	-1	0	302.334	0.321	20	30		DCEDRM
N#CCN(CCCCN1C(=O)c2ccccc2C1=O)CC(=O)[O-]	ZINC000833066574	671745646	/nfs/dbraw/zinc/74/56/46/671745646.db2.gz	BSCRRAZQWJFIFM-UHFFFAOYSA-N	-1	0	315.329	0.973	20	30		DCEDRM
C=CCNC(=O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000833376436	671747524	/nfs/dbraw/zinc/74/75/24/671747524.db2.gz	FNVVJQZLLVXLIG-UHFFFAOYSA-N	-1	0	324.249	0.915	20	30		DCEDRM
CC(C)(CCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)[N+](=O)[O-]	ZINC000835315147	671793345	/nfs/dbraw/zinc/79/33/45/671793345.db2.gz	NSTQXOASOPOPGK-UHFFFAOYSA-N	-1	0	317.367	0.962	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnc3n2CCCC3)CCC1	ZINC000835317692	671793551	/nfs/dbraw/zinc/79/35/51/671793551.db2.gz	PXDFLNMEOOUWKM-UHFFFAOYSA-N	-1	0	322.390	0.973	20	30		DCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835411865	671795818	/nfs/dbraw/zinc/79/58/18/671795818.db2.gz	PWVBGIBTCLRKDH-JTQLQIEISA-N	-1	0	307.331	0.685	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)n1cnc(C#N)n1	ZINC000835740485	671804373	/nfs/dbraw/zinc/80/43/73/671804373.db2.gz	LZEJLUCFAJVSKM-VLEAKVRGSA-N	-1	0	323.378	0.345	20	30		DCEDRM
CC(C)(C)C#CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000837357488	671858460	/nfs/dbraw/zinc/85/84/60/671858460.db2.gz	FFMJRXQELLUVPF-UHFFFAOYSA-N	-1	0	302.381	0.898	20	30		DCEDRM
CCOC(=O)c1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)[nH]n1	ZINC000843264190	672077197	/nfs/dbraw/zinc/07/71/97/672077197.db2.gz	GZKZBIXJQBDTPM-MUBLQREKSA-N	-1	0	318.285	0.815	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@](O)(CC#N)C1	ZINC000844020132	672138420	/nfs/dbraw/zinc/13/84/20/672138420.db2.gz	WYLOAWIGQQVHBY-LLVKDONJSA-N	-1	0	307.272	0.321	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)Nc1ncccc1OCCCC#N	ZINC000844631779	672190511	/nfs/dbraw/zinc/19/05/11/672190511.db2.gz	LFWSHETZWIBBAI-UHFFFAOYSA-N	-1	0	321.337	0.953	20	30		DCEDRM
CC(C)(C#N)CCS(=O)(=O)NN=c1cc(Cl)[nH]c(N)n1	ZINC000844663911	672192395	/nfs/dbraw/zinc/19/23/95/672192395.db2.gz	PRCJRMLBYFFNKM-UHFFFAOYSA-N	-1	0	318.790	0.898	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000844782922	672202391	/nfs/dbraw/zinc/20/23/91/672202391.db2.gz	MJIPMJBBTQYVPR-MRVPVSSYSA-N	-1	0	313.335	0.981	20	30		DCEDRM
Nc1ccc(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)cc1	ZINC000844818319	672204447	/nfs/dbraw/zinc/20/44/47/672204447.db2.gz	QMRULZZMTHLVOS-UHFFFAOYSA-N	-1	0	308.359	0.758	20	30		DCEDRM
C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844814753	672204515	/nfs/dbraw/zinc/20/45/15/672204515.db2.gz	KCQHYRPHBWDXKQ-CMPLNLGQSA-N	-1	0	301.364	0.294	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1	ZINC000846153501	672297739	/nfs/dbraw/zinc/29/77/39/672297739.db2.gz	HCKZHYBGLZODDF-SNVBAGLBSA-N	-1	0	321.333	0.372	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1	ZINC000846152383	672297903	/nfs/dbraw/zinc/29/79/03/672297903.db2.gz	AYABNZDUIHXAAW-PWSUYJOCSA-N	-1	0	308.338	0.623	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000846541940	672326562	/nfs/dbraw/zinc/32/65/62/672326562.db2.gz	QFSDCXOEWRHUHC-VIFPVBQESA-N	-1	0	323.305	0.956	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)CSc1nnnn1CC(F)(F)F	ZINC000846545051	672326689	/nfs/dbraw/zinc/32/66/89/672326689.db2.gz	LSNLOYHVWJYSGA-ZCFIWIBFSA-N	-1	0	311.289	0.950	20	30		DCEDRM
Cn1cc(C(=O)CCC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cn1	ZINC000793198129	685343857	/nfs/dbraw/zinc/34/38/57/685343857.db2.gz	VKZDMXWFLMCVAS-UHFFFAOYSA-N	-1	0	324.362	0.133	20	30		DCEDRM
C#Cc1ccc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cc1	ZINC001038588842	694124432	/nfs/dbraw/zinc/12/44/32/694124432.db2.gz	KRPAPUDSLGXYBR-ZDUSSCGKSA-N	-1	0	311.345	0.496	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1	ZINC000961736710	688716881	/nfs/dbraw/zinc/71/68/81/688716881.db2.gz	YHOMZIRAZZDNEY-IAZYJMLFSA-N	-1	0	303.366	0.413	20	30		DCEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(C(=O)[C@@H](C)C#N)C1	ZINC000967891061	690113104	/nfs/dbraw/zinc/11/31/04/690113104.db2.gz	ZQICXNZYCTVBPQ-QMMMGPOBSA-N	-1	0	305.338	0.256	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)c1[O-]	ZINC001011007310	691435868	/nfs/dbraw/zinc/43/58/68/691435868.db2.gz	PCVKSJZPJKCHRM-UHFFFAOYSA-N	-1	0	302.334	0.122	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001073972756	694808313	/nfs/dbraw/zinc/80/83/13/694808313.db2.gz	DALAZEULPVMEEC-GHMZBOCLSA-N	-1	0	306.370	0.483	20	30		DCEDRM
C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001076165444	695002851	/nfs/dbraw/zinc/00/28/51/695002851.db2.gz	BNJGRGFPESHLDY-VIFPVBQESA-N	-1	0	310.354	0.251	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001076167609	695003090	/nfs/dbraw/zinc/00/30/90/695003090.db2.gz	HACNLZIHAXRWEL-JTQLQIEISA-N	-1	0	324.381	0.641	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001076168018	695003092	/nfs/dbraw/zinc/00/30/92/695003092.db2.gz	XBVYYYAXXCINNX-GXSJLCMTSA-N	-1	0	322.365	0.087	20	30		DCEDRM
C=C(C)CCN1CC(CCO)(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001570758955	1162614368	/nfs/dbraw/zinc/61/43/68/1162614368.db2.gz	KFRRQIIWWBKDNX-UHFFFAOYSA-N	-1	0	308.382	0.557	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001566608201	1160092166	/nfs/dbraw/zinc/09/21/66/1160092166.db2.gz	KGTOWWOBNTUFDJ-OAHLLOKOSA-N	-1	0	323.397	0.260	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCN(CC#N)C1CC1	ZINC001567455427	1160372858	/nfs/dbraw/zinc/37/28/58/1160372858.db2.gz	ASUBPQSYUUHGND-UHFFFAOYSA-N	-1	0	320.315	0.548	20	30		DCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(C#N)cc2OC)C1=O	ZINC001568440282	1160647457	/nfs/dbraw/zinc/64/74/57/1160647457.db2.gz	RAPMLLNQNWSNQY-OAHLLOKOSA-N	-1	0	316.317	0.932	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)c1cnc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC001573308460	1161555495	/nfs/dbraw/zinc/55/54/95/1161555495.db2.gz	WBWOZXCIQBAFRW-QMMMGPOBSA-N	-1	0	310.697	0.989	20	30		DCEDRM
C[C@H](C(=O)N[C@@H](C)C1(C(=O)[O-])CCOCC1)n1cnc(C#N)n1	ZINC001573397719	1163423406	/nfs/dbraw/zinc/42/34/06/1163423406.db2.gz	AIADBTZBACRTLZ-ZJUUUORDSA-N	-1	0	321.337	0.097	20	30		DCEDRM
CC(=O)Nc1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)nc1	ZINC001573444535	1163436342	/nfs/dbraw/zinc/43/63/42/1163436342.db2.gz	WXFDKBBLTJDTIX-UHFFFAOYSA-N	-1	0	316.317	0.871	20	30		DCEDRM
C[C@@H](NC(=O)Nc1sccc1C#N)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001573554249	1163494213	/nfs/dbraw/zinc/49/42/13/1163494213.db2.gz	QPEGGHXGKJUWCE-RQJHMYQMSA-N	-1	0	310.335	0.719	20	30		DCEDRM
C[C@@H](NC(=O)COc1cccc(C#N)c1)c1nc(C(=O)[O-])n[nH]1	ZINC001573560908	1163502104	/nfs/dbraw/zinc/50/21/04/1163502104.db2.gz	ABZLTUQDOBDMHB-MRVPVSSYSA-N	-1	0	315.289	0.631	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)NCc2cc(C(=O)[O-])no2)cc1	ZINC001574244877	1163671831	/nfs/dbraw/zinc/67/18/31/1163671831.db2.gz	BANVRLIZPGEVLA-LBPRGKRZSA-N	-1	0	301.258	0.594	20	30		DCEDRM
N#CCC1(O)CN(C(=O)[C@H](Cc2ccccc2)NC(=O)[O-])C1	ZINC001574240898	1163672529	/nfs/dbraw/zinc/67/25/29/1163672529.db2.gz	AVDUCJCGIVQUSF-LBPRGKRZSA-N	-1	0	303.318	0.352	20	30		DCEDRM
N#Cc1csc(CNS(=O)(=O)C2(CC(=O)[O-])CC2)n1	ZINC001574249325	1163673037	/nfs/dbraw/zinc/67/30/37/1163673037.db2.gz	VJLOEWYCVYOEQZ-UHFFFAOYSA-N	-1	0	301.349	0.441	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)NCc2cc(C(=O)[O-])no2)c1	ZINC001574248546	1163673483	/nfs/dbraw/zinc/67/34/83/1163673483.db2.gz	KKCWRYUQBROGLT-UHFFFAOYSA-N	-1	0	308.275	0.118	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2C[C@@H](C(=O)[O-])C3(COC3)C2)s1	ZINC001574245640	1163673847	/nfs/dbraw/zinc/67/38/47/1163673847.db2.gz	UYQKQJWJMYAFEE-NSHDSACASA-N	-1	0	321.358	0.862	20	30		DCEDRM
N#Cc1ccc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)cc1	ZINC001574248975	1163675114	/nfs/dbraw/zinc/67/51/14/1163675114.db2.gz	CQPVLXKWEDBHPK-JQWIXIFHSA-N	-1	0	304.306	0.650	20	30		DCEDRM
CC[C@@H](C)NC(=O)CCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001576655097	1164423604	/nfs/dbraw/zinc/42/36/04/1164423604.db2.gz	RIGKPCPYGFHQQT-MRVPVSSYSA-N	-1	0	315.341	0.245	20	30		DCEDRM
CC[C@H](C[C@H](C)CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001576704716	1164438469	/nfs/dbraw/zinc/43/84/69/1164438469.db2.gz	HDTVQSUZUYIJTB-DTWKUNHWSA-N	-1	0	302.342	0.737	20	30		DCEDRM
COC[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)[C@@H]1CCCO1	ZINC001579699561	1165379826	/nfs/dbraw/zinc/37/98/26/1165379826.db2.gz	KXVFKGCBRXNPSZ-UWVGGRQHSA-N	-1	0	316.325	0.134	20	30		DCEDRM
CON(CC1CCOCC1)c1cnc(-c2nn[nH]n2)c(C#N)n1	ZINC001579847156	1165410482	/nfs/dbraw/zinc/41/04/82/1165410482.db2.gz	ATICFPBWLFIULY-UHFFFAOYSA-N	-1	0	316.325	0.323	20	30		DCEDRM
COc1cc(CCNc2cnc(C#N)c(-c3nnn[n-]3)n2)ccn1	ZINC001579923410	1165439063	/nfs/dbraw/zinc/43/90/63/1165439063.db2.gz	RFAPJXVXRQESGW-UHFFFAOYSA-N	-1	0	323.320	0.587	20	30		DCEDRM
Cc1c(C(=O)Nc2ccc(-c3nn[nH]n3)cn2)cnn1CCC#N	ZINC001580547504	1165634614	/nfs/dbraw/zinc/63/46/14/1165634614.db2.gz	QHIOLBDXBOQTKC-UHFFFAOYSA-N	-1	0	323.320	0.933	20	30		DCEDRM
N#CCOc1cccc(CC(=O)Nc2c[nH]nc2-c2nnn[n-]2)c1	ZINC001581858711	1165891655	/nfs/dbraw/zinc/89/16/55/1165891655.db2.gz	SDVGOXNMIYYEEN-UHFFFAOYSA-N	-1	0	324.304	0.673	20	30		DCEDRM
N#Cc1nc(NC(=O)CCCC(=O)C2CC2)[n-]c1-c1nn[nH]n1	ZINC001581859949	1165892602	/nfs/dbraw/zinc/89/26/02/1165892602.db2.gz	DPEMHFJQYJYYCO-UHFFFAOYSA-N	-1	0	314.309	0.549	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)c(F)c1	ZINC001581866487	1165894180	/nfs/dbraw/zinc/89/41/80/1165894180.db2.gz	FHTYRRFDBXMLHU-UHFFFAOYSA-N	-1	0	316.231	0.992	20	30		DCEDRM
N#Cc1ncc(N2CCO[C@@H](c3ccco3)C2)nc1-c1nnn[n-]1	ZINC001581882665	1165900642	/nfs/dbraw/zinc/90/06/42/1165900642.db2.gz	FKCGXACCKASKCS-LLVKDONJSA-N	-1	0	324.304	0.699	20	30		DCEDRM
N#Cc1ncc(NCCc2csc(=O)[nH]2)nc1-c1nnn[n-]1	ZINC001581884123	1165902456	/nfs/dbraw/zinc/90/24/56/1165902456.db2.gz	LWQKYABHKCKZGJ-UHFFFAOYSA-N	-1	0	315.322	0.345	20	30		DCEDRM
N#Cc1ncc(NCCC[C@@H]2CCOC2=O)nc1-c1nnn[n-]1	ZINC001581884217	1165903875	/nfs/dbraw/zinc/90/38/75/1165903875.db2.gz	PWQJPCYKVNLZNI-MRVPVSSYSA-N	-1	0	314.309	0.284	20	30		DCEDRM
C=CCCCC(=O)NC[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001582846109	1166110675	/nfs/dbraw/zinc/11/06/75/1166110675.db2.gz	QPADVUXEORJRLJ-VIFPVBQESA-N	-1	0	323.353	0.121	20	30		DCEDRM
CC#CCCCC(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001584310043	1166321151	/nfs/dbraw/zinc/32/11/51/1166321151.db2.gz	TXYZRNXLOGBBJG-JTQLQIEISA-N	-1	0	306.366	0.852	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001584632391	1166345118	/nfs/dbraw/zinc/34/51/18/1166345118.db2.gz	JGQPBOSFOMJYSC-MEBBXXQBSA-N	-1	0	322.365	0.082	20	30		DCEDRM
C#CCN(C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C)C(C)C	ZINC001588348644	1166537022	/nfs/dbraw/zinc/53/70/22/1166537022.db2.gz	GFIYURQGYZSCEN-UHFFFAOYSA-N	-1	0	300.322	0.760	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cc[nH]n2)n1CC1CC1	ZINC001588426517	1166552670	/nfs/dbraw/zinc/55/26/70/1166552670.db2.gz	OMAMSNHRMCKHGK-UHFFFAOYSA-N	-1	0	300.322	0.602	20	30		DCEDRM
C=CC[C@@H](CC)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001588541565	1166560941	/nfs/dbraw/zinc/56/09/41/1166560941.db2.gz	OHGKPTRXUIPYGL-SECBINFHSA-N	-1	0	305.346	0.112	20	30		DCEDRM
C=CCCC(=O)NC[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1	ZINC001588569875	1166561800	/nfs/dbraw/zinc/56/18/00/1166561800.db2.gz	GQXGDWIWURUTMQ-SNVBAGLBSA-N	-1	0	316.369	0.209	20	30		DCEDRM
C=CCCCC(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1	ZINC001588587526	1166565096	/nfs/dbraw/zinc/56/50/96/1166565096.db2.gz	XBQUHLYZLLEARI-SNVBAGLBSA-N	-1	0	316.369	0.352	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC001588727704	1166581664	/nfs/dbraw/zinc/58/16/64/1166581664.db2.gz	HBWNBXCATHHPOQ-NEPJUHHUSA-N	-1	0	321.362	0.489	20	30		DCEDRM
C[C@@H](C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-])n1cnc(C#N)n1	ZINC001589539630	1166665608	/nfs/dbraw/zinc/66/56/08/1166665608.db2.gz	FAYWVYSXPBANHL-JQWIXIFHSA-N	-1	0	314.301	0.950	20	30		DCEDRM
CC(C)OC(=O)CCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589733217	1166678522	/nfs/dbraw/zinc/67/85/22/1166678522.db2.gz	IGSNUPDTIUUGCF-UHFFFAOYSA-N	-1	0	302.298	0.282	20	30		DCEDRM
CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC001590636107	1166957164	/nfs/dbraw/zinc/95/71/64/1166957164.db2.gz	VMTLKVKIVSIDAN-SECBINFHSA-N	-1	0	315.341	0.274	20	30		DCEDRM
CCO[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)C1CC1	ZINC001590780883	1167020113	/nfs/dbraw/zinc/02/01/13/1167020113.db2.gz	KIDMZBWJYNXMAF-SECBINFHSA-N	-1	0	302.298	0.215	20	30		DCEDRM
COC(=O)[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)C(C)(C)C	ZINC001591277433	1167195218	/nfs/dbraw/zinc/19/52/18/1167195218.db2.gz	PXWMOVOBDPYPKW-SNVBAGLBSA-N	-1	0	316.325	0.528	20	30		DCEDRM
COC1(C)CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001591338780	1167223736	/nfs/dbraw/zinc/22/37/36/1167223736.db2.gz	MUOYDOYPFJREHG-UHFFFAOYSA-N	-1	0	300.326	0.534	20	30		DCEDRM
COC[C@H](C#N)OC(=O)c1ccc(-c2nn[nH]n2)c(OC)c1	ZINC001591367727	1167238361	/nfs/dbraw/zinc/23/83/61/1167238361.db2.gz	KSSDLUJQADQEGV-VIFPVBQESA-N	-1	0	303.278	0.571	20	30		DCEDRM
C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)C#CC1CC1	ZINC001591763564	1167368360	/nfs/dbraw/zinc/36/83/60/1167368360.db2.gz	RUTRQYGFMZHXBN-SNVBAGLBSA-N	-1	0	311.349	0.592	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)C1CCOCC1	ZINC001592335406	1167491350	/nfs/dbraw/zinc/49/13/50/1167491350.db2.gz	QYSMAYURQKCOAV-UHFFFAOYSA-N	-1	0	301.310	0.239	20	30		DCEDRM
N#CCN1CCN(c2nc(-c3nnn[n-]3)c(Cl)s2)CC1	ZINC001592677642	1167598449	/nfs/dbraw/zinc/59/84/49/1167598449.db2.gz	HMRHSDRBXCCOOW-UHFFFAOYSA-N	-1	0	310.774	0.622	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cc3c([nH]2)CCCC3)[n-]c1-c1nn[nH]n1	ZINC001592681331	1167599266	/nfs/dbraw/zinc/59/92/66/1167599266.db2.gz	BIBOACGQBFYZMS-UHFFFAOYSA-N	-1	0	323.320	0.921	20	30		DCEDRM
N#Cc1cnc(NCCn2cnc(-c3nnn[n-]3)n2)c(Cl)c1	ZINC001592704803	1167606604	/nfs/dbraw/zinc/60/66/04/1167606604.db2.gz	VXQDHEKGUZZBNJ-UHFFFAOYSA-N	-1	0	316.716	0.490	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCO[C@H]1CCOC1	ZINC001595921104	1167983440	/nfs/dbraw/zinc/98/34/40/1167983440.db2.gz	KQCJKBJXBURDKF-LBPRGKRZSA-N	-1	0	305.334	0.893	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC001600075045	1168111935	/nfs/dbraw/zinc/11/19/35/1168111935.db2.gz	ZWLWTCZLUNVVCX-MRXNPFEDSA-N	-1	0	302.330	0.766	20	30		DCEDRM
Cc1cc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)ncc1C#N	ZINC001600080521	1168113250	/nfs/dbraw/zinc/11/32/50/1168113250.db2.gz	PYHJXDQMRTXKGG-CYBMUJFWSA-N	-1	0	303.318	0.559	20	30		DCEDRM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(CC#N)CC#N)c1F	ZINC001600111662	1168121721	/nfs/dbraw/zinc/12/17/21/1168121721.db2.gz	GTVKVZKFEVWMQP-UHFFFAOYSA-N	-1	0	311.294	0.870	20	30		DCEDRM
Cc1cc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])ccc1C#N	ZINC001600196373	1168136138	/nfs/dbraw/zinc/13/61/38/1168136138.db2.gz	QGRJZBXIHMMAGC-AWEZNQCLSA-N	-1	0	322.386	0.940	20	30		DCEDRM
Cc1cc(N(CCN2CCOCC2)CC(=O)[O-])ncc1C#N	ZINC001600236587	1168143166	/nfs/dbraw/zinc/14/31/66/1168143166.db2.gz	AURSWNOHAIICMZ-UHFFFAOYSA-N	-1	0	304.350	0.485	20	30		DCEDRM
Cc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1N1CCOCC1	ZINC001600330710	1168167049	/nfs/dbraw/zinc/16/70/49/1168167049.db2.gz	WUBWTLCEUJVRNI-UHFFFAOYSA-N	-1	0	317.345	0.882	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N[C@@H](CCF)C(=O)[O-]	ZINC001600509956	1168193625	/nfs/dbraw/zinc/19/36/25/1168193625.db2.gz	CEULTXHPLICZPT-JTQLQIEISA-N	-1	0	300.311	0.958	20	30		DCEDRM
Cc1nc(C#N)c(N2CCC(C(=O)NC3(C(=O)[O-])CC3)CC2)o1	ZINC001600682689	1168246375	/nfs/dbraw/zinc/24/63/75/1168246375.db2.gz	WAWAYSVQWDHGNC-UHFFFAOYSA-N	-1	0	318.333	0.805	20	30		DCEDRM
Cc1nnc(SCc2cccc(C(=O)[O-])c2C#N)n(N)c1=O	ZINC001600798973	1168299129	/nfs/dbraw/zinc/29/91/29/1168299129.db2.gz	AMXVLKSMNUMNBU-UHFFFAOYSA-N	-1	0	317.330	0.523	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001600821556	1168476514	/nfs/dbraw/zinc/47/65/14/1168476514.db2.gz	BSKBSGVIFOFWLO-VIFPVBQESA-N	-1	0	315.289	0.837	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC001600899847	1168499185	/nfs/dbraw/zinc/49/91/85/1168499185.db2.gz	UPBAHXBSZPPUCJ-JQWIXIFHSA-N	-1	0	305.334	0.896	20	30		DCEDRM
Cn1cc(C(=O)N(CC#N)CC(=O)[O-])c(Br)n1	ZINC001600929550	1168513815	/nfs/dbraw/zinc/51/38/15/1168513815.db2.gz	SUJYRGGYVBZXDQ-UHFFFAOYSA-N	-1	0	301.100	0.233	20	30		DCEDRM
Cn1ccnc1[C@H](CC(=O)N(CC#N)CC(=O)[O-])C(F)(F)F	ZINC001600980198	1168542502	/nfs/dbraw/zinc/54/25/02/1168542502.db2.gz	DUKDCVABFSPDJI-QMMMGPOBSA-N	-1	0	318.255	0.893	20	30		DCEDRM
N#CC1(NC(=O)Cn2cnc(C(=O)[O-])cc2=O)CCCCC1	ZINC001601056916	1168578458	/nfs/dbraw/zinc/57/84/58/1168578458.db2.gz	FCIGKYWFBHVYGE-UHFFFAOYSA-N	-1	0	304.306	0.284	20	30		DCEDRM
N#CC1CCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)CC1	ZINC001601060613	1168578852	/nfs/dbraw/zinc/57/88/52/1168578852.db2.gz	FGUFUGXGXRNKQH-LBPRGKRZSA-N	-1	0	307.350	0.366	20	30		DCEDRM
N#C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nn2)CCN1C1CC1	ZINC001601061441	1168578857	/nfs/dbraw/zinc/57/88/57/1168578857.db2.gz	ZURYQXNTKBZSRI-JTQLQIEISA-N	-1	0	316.321	0.379	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCCC1	ZINC001601057811	1168579292	/nfs/dbraw/zinc/57/92/92/1168579292.db2.gz	FZUKHFADAMJFBL-NSHDSACASA-N	-1	0	316.379	0.576	20	30		DCEDRM
N#CC1(CS(=O)(=O)NCc2nc(C(=O)[O-])co2)CCCC1	ZINC001601057801	1168579400	/nfs/dbraw/zinc/57/94/00/1168579400.db2.gz	FLNIADHUVAVWOJ-UHFFFAOYSA-N	-1	0	313.335	0.876	20	30		DCEDRM
N#CCCCCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001601064920	1168579593	/nfs/dbraw/zinc/57/95/93/1168579593.db2.gz	PENNVTVJLKWRDG-OAHLLOKOSA-N	-1	0	309.366	0.458	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccnc(O[C@@H]2CCOC2)c1	ZINC001601071712	1168581019	/nfs/dbraw/zinc/58/10/19/1168581019.db2.gz	FQGGGIMXORSWFW-GFCCVEGCSA-N	-1	0	319.317	0.690	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cnn(Cc2ccccc2)c1N	ZINC001601071538	1168581145	/nfs/dbraw/zinc/58/11/45/1168581145.db2.gz	SWQWGNYPOXPCCA-UHFFFAOYSA-N	-1	0	313.317	0.564	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(Cl)c(F)c1	ZINC001601070500	1168581174	/nfs/dbraw/zinc/58/11/74/1168581174.db2.gz	PMCRJWAKVQEILI-UHFFFAOYSA-N	-1	0	313.672	0.854	20	30		DCEDRM
N#CCN1CCC(N2C(=O)[C@@H]3CC[C@H](C(=O)[O-])CN3C2=O)CC1	ZINC001601073480	1168581806	/nfs/dbraw/zinc/58/18/06/1168581806.db2.gz	XJFRZLWVHCFJMJ-JQWIXIFHSA-N	-1	0	320.349	0.102	20	30		DCEDRM
N#CCN1CCC(N2C(=O)[C@H]3C[C@H](C(=O)[O-])CCN3C2=O)CC1	ZINC001601073334	1168581868	/nfs/dbraw/zinc/58/18/68/1168581868.db2.gz	PTHIXQKWMXXBGJ-ZYHUDNBSSA-N	-1	0	320.349	0.102	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)c1	ZINC001601073793	1168581883	/nfs/dbraw/zinc/58/18/83/1168581883.db2.gz	AJAXXCDFWKDRKU-CQSZACIVSA-N	-1	0	318.329	0.834	20	30		DCEDRM
N#CCN1CCC(NC(=O)Cc2ccc(C(=O)[O-])nc2)CC1	ZINC001601073202	1168581942	/nfs/dbraw/zinc/58/19/42/1168581942.db2.gz	HNAAIPBNIIEFNN-UHFFFAOYSA-N	-1	0	302.334	0.426	20	30		DCEDRM
N#CCSCC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001601075360	1168582389	/nfs/dbraw/zinc/58/23/89/1168582389.db2.gz	CYAALZLTSUGITF-VIFPVBQESA-N	-1	0	309.351	0.397	20	30		DCEDRM
N#CCSCC(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1	ZINC001601076506	1168582523	/nfs/dbraw/zinc/58/25/23/1168582523.db2.gz	SNGLZDNXHVFGNH-UHFFFAOYSA-N	-1	0	314.363	0.690	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1	ZINC001601094207	1168584066	/nfs/dbraw/zinc/58/40/66/1168584066.db2.gz	PLIWNPJWNSHWDS-CYBMUJFWSA-N	-1	0	313.313	0.578	20	30		DCEDRM
N#Cc1ccc(C2(C(=O)N[C@@H](CO)C(=O)[O-])CCCC2)cc1	ZINC001601098345	1168584835	/nfs/dbraw/zinc/58/48/35/1168584835.db2.gz	XUAYNWRLCWWFOD-ZDUSSCGKSA-N	-1	0	302.330	0.932	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)c2c[nH]c(C(=O)[O-])c2)C(N)=O)cc1	ZINC001601099046	1168584889	/nfs/dbraw/zinc/58/48/89/1168584889.db2.gz	HWJZWDLCCFUQOL-LBPRGKRZSA-N	-1	0	313.269	0.968	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NC[C@@H](CC2CC2)C(=O)[O-])nc1	ZINC001601108119	1168586215	/nfs/dbraw/zinc/58/62/15/1168586215.db2.gz	BSFYMTJXSPHOHN-GFCCVEGCSA-N	-1	0	302.334	0.982	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C#N)c(C(=O)[O-])c1	ZINC001601111631	1168586742	/nfs/dbraw/zinc/58/67/42/1168586742.db2.gz	CLNBKXRUWAHDJJ-SNVBAGLBSA-N	-1	0	321.314	0.170	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN2CC3CC2(C(=O)[O-])C3)nc1	ZINC001601110496	1168586789	/nfs/dbraw/zinc/58/67/89/1168586789.db2.gz	AMQVPPJGVLEZAY-UHFFFAOYSA-N	-1	0	321.358	0.276	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cc1	ZINC001601110207	1168586945	/nfs/dbraw/zinc/58/69/45/1168586945.db2.gz	NEBHXKCEBWNHGG-JSGCOSHPSA-N	-1	0	304.302	0.374	20	30		DCEDRM
N#Cc1cccc(NC(=O)CN2CCC[C@@H](O)[C@H]2C(=O)[O-])c1	ZINC001601120890	1168587203	/nfs/dbraw/zinc/58/72/03/1168587203.db2.gz	RCAUUVIARXCMHI-OCCSQVGLSA-N	-1	0	303.318	0.407	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1	ZINC001601122352	1168588053	/nfs/dbraw/zinc/58/80/53/1168588053.db2.gz	LBTZNKUHDSSFEI-CQSZACIVSA-N	-1	0	324.358	0.611	20	30		DCEDRM
N#Cc1cccc(CN(CCN2CCOCC2)CC(=O)[O-])n1	ZINC001601123031	1168588227	/nfs/dbraw/zinc/58/82/27/1168588227.db2.gz	VXJWLRJNGNNFQH-UHFFFAOYSA-N	-1	0	304.350	0.172	20	30		DCEDRM
N#Cc1cccc(CC(=O)N[C@H](CC2OCCO2)C(=O)[O-])c1	ZINC001601122448	1168588601	/nfs/dbraw/zinc/58/86/01/1168588601.db2.gz	LPMBAHBMQJDCCH-GFCCVEGCSA-N	-1	0	304.302	0.433	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CN1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001601129796	1168591591	/nfs/dbraw/zinc/59/15/91/1168591591.db2.gz	TYQJELRBIPKFPD-GXSJLCMTSA-N	-1	0	309.347	0.468	20	30		DCEDRM
N#Cc1cncc(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)c1	ZINC001601130403	1168591835	/nfs/dbraw/zinc/59/18/35/1168591835.db2.gz	HJPHQJASPMRMKQ-UHFFFAOYSA-N	-1	0	318.314	0.525	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001601133091	1168593042	/nfs/dbraw/zinc/59/30/42/1168593042.db2.gz	LNQKZXVESOIFKO-GHMZBOCLSA-N	-1	0	302.334	0.927	20	30		DCEDRM
N#Cc1nnn(Cc2ccccc2)c1NC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001601136175	1168594462	/nfs/dbraw/zinc/59/44/62/1168594462.db2.gz	KATMOAAUBHBRHJ-WDEREUQCSA-N	-1	0	311.301	0.857	20	30		DCEDRM
O=C([O-])C1CC(NC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1	ZINC001602631131	1169135673	/nfs/dbraw/zinc/13/56/73/1169135673.db2.gz	HJWHTOSQQHOPAO-UHFFFAOYSA-N	-1	0	308.334	0.897	20	30		DCEDRM
C#C[C@@H](C)NC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001602669972	1169156017	/nfs/dbraw/zinc/15/60/17/1169156017.db2.gz	IZLJADZVGBGKFM-SCZZXKLOSA-N	-1	0	321.358	0.873	20	30		DCEDRM
C#CC1CCN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)CC1	ZINC001602681490	1169157408	/nfs/dbraw/zinc/15/74/08/1169157408.db2.gz	MQHOGHSCFMMTRM-UHFFFAOYSA-N	-1	0	318.333	0.086	20	30		DCEDRM
C#CC[C@@H](NC(=O)COc1ccc(C#N)cc1OC)C(=O)[O-]	ZINC001602687024	1169158311	/nfs/dbraw/zinc/15/83/11/1169158311.db2.gz	FKDKJFUBBFMLEE-LLVKDONJSA-N	-1	0	302.286	0.538	20	30		DCEDRM
C#CC[C@H](CCOC)NS(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001602682689	1169158253	/nfs/dbraw/zinc/15/82/53/1169158253.db2.gz	CNFXUSDMKMTKIA-LLVKDONJSA-N	-1	0	303.380	0.589	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001602683282	1169158388	/nfs/dbraw/zinc/15/83/88/1169158388.db2.gz	NKAGAIGBCMHICQ-LLVKDONJSA-N	-1	0	320.345	0.921	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001602691911	1169162215	/nfs/dbraw/zinc/16/22/15/1169162215.db2.gz	DFWPOODMDJWRJV-ZETCQYMHSA-N	-1	0	320.286	0.806	20	30		DCEDRM
C#CCCCS(=O)(=O)N1[C@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001602710458	1169165654	/nfs/dbraw/zinc/16/56/54/1169165654.db2.gz	FYLUVAMMOAHWDU-VOAKCMCISA-N	-1	0	315.391	0.825	20	30		DCEDRM
C#CCCCS(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC001602710799	1169165806	/nfs/dbraw/zinc/16/58/06/1169165806.db2.gz	PGYHUAWNUJQVET-UHFFFAOYSA-N	-1	0	302.396	0.210	20	30		DCEDRM
C#CCCCC(=O)O[C@H]1C[C@H](C(=O)[O-])N(c2cnccn2)C1	ZINC001602702560	1169165898	/nfs/dbraw/zinc/16/58/98/1169165898.db2.gz	GLIVBHMLVALWSR-NWDGAFQWSA-N	-1	0	303.318	0.855	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001602710197	1169166499	/nfs/dbraw/zinc/16/64/99/1169166499.db2.gz	DSTATRZLVTUNFC-UHFFFAOYSA-N	-1	0	314.363	0.384	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC001602713975	1169167987	/nfs/dbraw/zinc/16/79/87/1169167987.db2.gz	XSSAWAKUCSOKBU-UHFFFAOYSA-N	-1	0	300.314	0.361	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)c1ccnc(C(=O)[O-])n1	ZINC001602725450	1169173064	/nfs/dbraw/zinc/17/30/64/1169173064.db2.gz	BQZOVLJRBLWYDS-WDEREUQCSA-N	-1	0	320.349	0.154	20	30		DCEDRM
C#CCOCCNC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001602728231	1169174269	/nfs/dbraw/zinc/17/42/69/1169174269.db2.gz	OQTHDZIMYVEPHH-INIZCTEOSA-N	-1	0	324.377	0.428	20	30		DCEDRM
C#CCOCCC(=O)NC[C@@H](C)N(C)c1ccnc(C(=O)[O-])n1	ZINC001602727665	1169175001	/nfs/dbraw/zinc/17/50/01/1169175001.db2.gz	CWHVIVMFCHKITH-LLVKDONJSA-N	-1	0	320.349	0.156	20	30		DCEDRM
C#CCSCC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001602734664	1169175752	/nfs/dbraw/zinc/17/57/52/1169175752.db2.gz	VMWWSBKTVFOQFW-UHFFFAOYSA-N	-1	0	306.343	0.806	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)CC1	ZINC001602738327	1169176617	/nfs/dbraw/zinc/17/66/17/1169176617.db2.gz	UWKZJPLEBCWGDS-FDYHWXHSSA-N	-1	0	322.361	0.694	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c1	ZINC001602742170	1169176638	/nfs/dbraw/zinc/17/66/38/1169176638.db2.gz	GVINBLOTNAXFSR-FZMZJTMJSA-N	-1	0	314.341	0.606	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)Cn1ncc(=O)c2ccccc21)C(=O)[O-]	ZINC001602748654	1169178001	/nfs/dbraw/zinc/17/80/01/1169178001.db2.gz	FGVSYZOGHGRVMT-LBPRGKRZSA-N	-1	0	315.329	0.932	20	30		DCEDRM
C=C(C)CCC(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1	ZINC001602759939	1169180634	/nfs/dbraw/zinc/18/06/34/1169180634.db2.gz	UOPDQYFLVAJKJD-SNVBAGLBSA-N	-1	0	316.369	0.352	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1	ZINC001602776876	1169182618	/nfs/dbraw/zinc/18/26/18/1169182618.db2.gz	ZXAIGVLWZKGWCT-SNVBAGLBSA-N	-1	0	322.321	0.259	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cn(C(C)(C)C)c(=O)[nH]c1=O	ZINC001602783268	1169182626	/nfs/dbraw/zinc/18/26/26/1169182626.db2.gz	DSBZVAATFLVFBO-UHFFFAOYSA-N	-1	0	323.349	0.741	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(C(=O)c2cccn2C)CC1	ZINC001602777821	1169182963	/nfs/dbraw/zinc/18/29/63/1169182963.db2.gz	FRVASQOUFUHGNN-UHFFFAOYSA-N	-1	0	319.361	0.731	20	30		DCEDRM
C=C1CCC(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CC1	ZINC001602792154	1169185001	/nfs/dbraw/zinc/18/50/01/1169185001.db2.gz	OQHMVYQFDCOSGJ-QWHCGFSZSA-N	-1	0	306.362	0.781	20	30		DCEDRM
C=C[C@@H](O)C(=O)O[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001602821303	1169188231	/nfs/dbraw/zinc/18/82/31/1169188231.db2.gz	ZHMXWKIWFFHOFD-RKDXNWHRSA-N	-1	0	311.315	0.642	20	30		DCEDRM
C=CCC[C@H]1CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC001602832888	1169191254	/nfs/dbraw/zinc/19/12/54/1169191254.db2.gz	AIATVJGRXZYBNI-JTQLQIEISA-N	-1	0	302.342	0.415	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2coc(-c3nn[nH]n3)c2)C1=O	ZINC001602862550	1169193468	/nfs/dbraw/zinc/19/34/68/1169193468.db2.gz	JXWXKBCNYHWKRD-JTQLQIEISA-N	-1	0	316.321	0.319	20	30		DCEDRM
C=CCCC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCOCC1	ZINC001602855880	1169194395	/nfs/dbraw/zinc/19/43/95/1169194395.db2.gz	HAEXKYLKVYQLHB-NWDGAFQWSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCCC(=O)NC[C@@H]1[C@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@H]21	ZINC001602856183	1169194549	/nfs/dbraw/zinc/19/45/49/1169194549.db2.gz	XSDUPPLAYAYKJA-XYYAHUGASA-N	-1	0	316.361	0.939	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1	ZINC001602906867	1169201480	/nfs/dbraw/zinc/20/14/80/1169201480.db2.gz	QGQLMBOEDFJTKM-LLVKDONJSA-N	-1	0	321.333	0.465	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1	ZINC001602906693	1169201871	/nfs/dbraw/zinc/20/18/71/1169201871.db2.gz	KPDIEGVMQAMIOB-AGIUHOORSA-N	-1	0	324.377	0.550	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccccc1C(=O)[O-])C(=O)OC	ZINC001602913397	1169204995	/nfs/dbraw/zinc/20/49/95/1169204995.db2.gz	PGHALQUOGOODRN-LBPRGKRZSA-N	-1	0	307.302	0.859	20	30		DCEDRM
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001602932195	1169210939	/nfs/dbraw/zinc/21/09/39/1169210939.db2.gz	LWLDUOWQHVIRPM-QMTHXVAHSA-N	-1	0	310.329	0.971	20	30		DCEDRM
C=CCn1c(C2CC2)nnc1N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001602932127	1169210992	/nfs/dbraw/zinc/21/09/92/1169210992.db2.gz	KIVWLMPZTWRHMA-QWRGUYRKSA-N	-1	0	320.349	0.652	20	30		DCEDRM
C=CCn1c(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)nnc1[C@@](C)(O)CC	ZINC001602936836	1169213001	/nfs/dbraw/zinc/21/30/01/1169213001.db2.gz	GHJDOAABRUFXTE-ZETOZRRWSA-N	-1	0	324.381	0.760	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001602940147	1169213740	/nfs/dbraw/zinc/21/37/40/1169213740.db2.gz	MNJZBXYCAVYPSQ-AXFHLTTASA-N	-1	0	320.349	0.104	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-]	ZINC001602944886	1169216075	/nfs/dbraw/zinc/21/60/75/1169216075.db2.gz	MCFNNINVDRFVTC-SECBINFHSA-N	-1	0	322.342	0.758	20	30		DCEDRM
C/C(=C\C(=O)[O-])CN1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC001602957018	1169220608	/nfs/dbraw/zinc/22/06/08/1169220608.db2.gz	CFDSMECKTBCWTO-VNKGSWCUSA-N	-1	0	301.350	0.890	20	30		DCEDRM
C/C(=C/CN1CCN(c2c(C#N)c(C)nn2C)CC1)C(=O)[O-]	ZINC001602965853	1169222284	/nfs/dbraw/zinc/22/22/84/1169222284.db2.gz	YQGLFJDFVCINRT-WCIBSUBMSA-N	-1	0	303.366	0.753	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1	ZINC001602983359	1169223128	/nfs/dbraw/zinc/22/31/28/1169223128.db2.gz	HVHBQSKUMOYHOO-VIFPVBQESA-N	-1	0	313.321	0.423	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC1(C)CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001603129887	1169249950	/nfs/dbraw/zinc/24/99/50/1169249950.db2.gz	OCVDDRSUORQKGJ-JTQLQIEISA-N	-1	0	317.349	0.810	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C(=O)[O-])n1	ZINC001603130573	1169250162	/nfs/dbraw/zinc/25/01/62/1169250162.db2.gz	YMTFTJDFAHLLHS-ZNSHCXBVSA-N	-1	0	315.333	0.560	20	30		DCEDRM
C[C@@H](C#N)OCCn1cc(CN2CCCC[C@@H]2C(=O)[O-])nn1	ZINC001603131875	1169250421	/nfs/dbraw/zinc/25/04/21/1169250421.db2.gz	NMHJMYJQFZETCS-WCQYABFASA-N	-1	0	307.354	0.646	20	30		DCEDRM
C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccn1)n1cnc(C#N)n1	ZINC001603153039	1169257251	/nfs/dbraw/zinc/25/72/51/1169257251.db2.gz	GMCITAOWUZUUCY-GZMMTYOYSA-N	-1	0	300.278	0.048	20	30		DCEDRM
CC(C)(C#N)c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1	ZINC001603230695	1169278031	/nfs/dbraw/zinc/27/80/31/1169278031.db2.gz	VMMFCMSEQZVPOH-LLVKDONJSA-N	-1	0	312.347	0.212	20	30		DCEDRM
CC(C)Cc1noc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)n1	ZINC001603311383	1169290336	/nfs/dbraw/zinc/29/03/36/1169290336.db2.gz	QAKCZRISMANHSW-UHFFFAOYSA-N	-1	0	314.313	0.147	20	30		DCEDRM
CC(C)(CS(=O)(=O)NC1CCN(CC#N)CC1)C(=O)[O-]	ZINC001603659816	1169345269	/nfs/dbraw/zinc/34/52/69/1169345269.db2.gz	HAMQIDLWQOHSES-UHFFFAOYSA-N	-1	0	303.384	0.005	20	30		DCEDRM
CC(C)C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)[C@H](C)CC#N	ZINC001603832373	1169405548	/nfs/dbraw/zinc/40/55/48/1169405548.db2.gz	VJUGKEXQRCYTQI-MNOVXSKESA-N	-1	0	305.400	0.896	20	30		DCEDRM
CC(C)c1nc(-c2nnn[n-]2)c(N=NC2C(=O)OC[C@@H]2C)o1	ZINC001603944888	1169445468	/nfs/dbraw/zinc/44/54/68/1169445468.db2.gz	GAGAWKIKSYXCJY-LURJTMIESA-N	-1	0	305.298	0.939	20	30		DCEDRM
CC[C@@H](C#N)N(CC)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001603977606	1169461386	/nfs/dbraw/zinc/46/13/86/1169461386.db2.gz	DBLSONZBCIYIRD-IUCAKERBSA-N	-1	0	303.330	0.170	20	30		DCEDRM
C[C@@H](NC(=O)N1CCO[C@@H](C#N)C1)c1ncc(C(=O)[O-])s1	ZINC001604281371	1169544890	/nfs/dbraw/zinc/54/48/90/1169544890.db2.gz	CUEPPVKYMZTYKH-SFYZADRCSA-N	-1	0	310.335	0.836	20	30		DCEDRM
CC1CCN(C(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)CC1	ZINC001604745079	1169668828	/nfs/dbraw/zinc/66/88/28/1169668828.db2.gz	OLLVIWXOSXCBER-UHFFFAOYSA-N	-1	0	303.318	0.677	20	30		DCEDRM
CN(c1cnc(C#N)c(-c2nnn[n-]2)n1)[C@@H](CO)CC(C)(C)C	ZINC001604830922	1169700112	/nfs/dbraw/zinc/70/01/12/1169700112.db2.gz	GBVUHFUCZVHLLE-SECBINFHSA-N	-1	0	316.369	0.762	20	30		DCEDRM
CC[C@H](C)[C@@H](C(=O)[O-])N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC001604923878	1169745103	/nfs/dbraw/zinc/74/51/03/1169745103.db2.gz	PRMJPRUNGYZSBV-MRBYEJRBSA-N	-1	0	300.380	0.356	20	30		DCEDRM
COCCOCCOCCCn1cnc(-c2nnn[n-]2)c1C#N	ZINC001605112252	1169832028	/nfs/dbraw/zinc/83/20/28/1169832028.db2.gz	UQBORRJTCGSCPL-UHFFFAOYSA-N	-1	0	321.341	0.005	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC001605438756	1169921948	/nfs/dbraw/zinc/92/19/48/1169921948.db2.gz	MQXBSLOMJXXDNY-SNVBAGLBSA-N	-1	0	317.392	0.944	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(C[C@H]2CCCC[C@H]2C(=O)[O-])c1=O	ZINC001605915734	1170026450	/nfs/dbraw/zinc/02/64/50/1170026450.db2.gz	WNZAKXRNPYELGK-ZYHUDNBSSA-N	-1	0	305.334	0.793	20	30		DCEDRM
Cc1cccc(NC(=O)Cn2c(N)nc(-c3nnn[n-]3)c2C#N)c1	ZINC001605919743	1170026957	/nfs/dbraw/zinc/02/69/57/1170026957.db2.gz	DFENYPRBINJQTJ-UHFFFAOYSA-N	-1	0	323.320	0.464	20	30		DCEDRM
CN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001605961608	1170037670	/nfs/dbraw/zinc/03/76/70/1170037670.db2.gz	KLALCTBKFKUAIB-USWLSBMTSA-N	-1	0	321.333	0.225	20	30		DCEDRM
Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)c1ccc(C#N)cc1	ZINC001606023655	1170054499	/nfs/dbraw/zinc/05/44/99/1170054499.db2.gz	BCXPHSMVLCBONI-UHFFFAOYSA-N	-1	0	318.300	0.998	20	30		DCEDRM
N#CC1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCCC1	ZINC001606344108	1170163510	/nfs/dbraw/zinc/16/35/10/1170163510.db2.gz	XTAUMFOQFVMTIN-UHFFFAOYSA-N	-1	0	315.341	0.048	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C1	ZINC001606344986	1170163527	/nfs/dbraw/zinc/16/35/27/1170163527.db2.gz	DIQXNHDUDZNSTF-UHFFFAOYSA-N	-1	0	324.753	0.664	20	30		DCEDRM
N#Cc1nc(NC(=O)C[C@@H]2CCCOC2)[n-]c1-c1nn[nH]n1	ZINC001606354480	1170167354	/nfs/dbraw/zinc/16/73/54/1170167354.db2.gz	JGSYVUGZQUGSHS-ZETCQYMHSA-N	-1	0	302.298	0.217	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C(=O)[O-]	ZINC001606534822	1170229524	/nfs/dbraw/zinc/22/95/24/1170229524.db2.gz	HQBYQUDNPHQTOY-ZETCQYMHSA-N	-1	0	312.303	0.096	20	30		DCEDRM
COCC[C@](C)(C#N)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC001606851137	1170314409	/nfs/dbraw/zinc/31/44/09/1170314409.db2.gz	FXWCKFXRWAGFIY-LLVKDONJSA-N	-1	0	302.308	0.575	20	30		DCEDRM
COc1cc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])ccc1C#N	ZINC001607145446	1170410157	/nfs/dbraw/zinc/41/01/57/1170410157.db2.gz	LXADQKURKSICHP-QMMMGPOBSA-N	-1	0	306.274	0.313	20	30		DCEDRM
COc1ccc(S(=O)(=O)N(CC#N)CCC(=O)[O-])c(F)c1	ZINC001607284813	1170422517	/nfs/dbraw/zinc/42/25/17/1170422517.db2.gz	WZIAQOLATDGARM-UHFFFAOYSA-N	-1	0	316.310	0.823	20	30		DCEDRM
CCCCC[C@H](O)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001607497569	1170467229	/nfs/dbraw/zinc/46/72/29/1170467229.db2.gz	IHUHMFKYTVIRKC-LBPRGKRZSA-N	-1	0	320.349	0.145	20	30		DCEDRM
Cc1c(Br)cnn1CC(=O)N(CC#N)CC(=O)[O-]	ZINC001607502179	1170468645	/nfs/dbraw/zinc/46/86/45/1170468645.db2.gz	KYIORGXVXXNDLK-UHFFFAOYSA-N	-1	0	315.127	0.391	20	30		DCEDRM
Cc1c(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cnn1CCC#N	ZINC001607505653	1170469546	/nfs/dbraw/zinc/46/95/46/1170469546.db2.gz	PRVWDIOKAKDUQX-NWDGAFQWSA-N	-1	0	306.322	0.155	20	30		DCEDRM
Cc1cc(NC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)nn1CCC#N	ZINC001607682325	1170494457	/nfs/dbraw/zinc/49/44/57/1170494457.db2.gz	DAFDQHCWXUVIPQ-QWRGUYRKSA-N	-1	0	321.337	0.811	20	30		DCEDRM
Cc1noc(CCCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001608025748	1170551232	/nfs/dbraw/zinc/55/12/32/1170551232.db2.gz	CZHKJOUQRWSXCW-UHFFFAOYSA-N	-1	0	321.337	0.711	20	30		DCEDRM
N#CC1(CNC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CCC1	ZINC001608175181	1170609190	/nfs/dbraw/zinc/60/91/90/1170609190.db2.gz	RWDSHHDCACYVJT-XHDPSFHLSA-N	-1	0	307.350	0.813	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(c2cc(C(N)=O)nc(Cl)n2)CC1	ZINC001608174136	1170609385	/nfs/dbraw/zinc/60/93/85/1170609385.db2.gz	ILCZYXMIFKWVMB-UHFFFAOYSA-N	-1	0	309.713	0.424	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1	ZINC001608176121	1170609647	/nfs/dbraw/zinc/60/96/47/1170609647.db2.gz	ULVSXFSVZBHTGM-DWJWARBKSA-N	-1	0	323.324	0.066	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H]3C[C@H]3C2)CC1	ZINC001608171772	1170609671	/nfs/dbraw/zinc/60/96/71/1170609671.db2.gz	HJTMXJJIIXBSGC-QWRGUYRKSA-N	-1	0	305.334	0.072	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1	ZINC001608178932	1170610931	/nfs/dbraw/zinc/61/09/31/1170610931.db2.gz	TVBVTJXPNZHUDA-JTQLQIEISA-N	-1	0	302.352	0.186	20	30		DCEDRM
N#CC1(CC(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])CCOCC1	ZINC001608176487	1170611007	/nfs/dbraw/zinc/61/10/07/1170611007.db2.gz	ZNTSGZQULFQBTP-NWDGAFQWSA-N	-1	0	310.350	0.835	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccc(Cc2nnc[nH]2)cc1	ZINC001608185609	1170612888	/nfs/dbraw/zinc/61/28/88/1170612888.db2.gz	ZGDUZDMFEOJJAT-UHFFFAOYSA-N	-1	0	313.317	0.836	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1	ZINC001608188465	1170612977	/nfs/dbraw/zinc/61/29/77/1170612977.db2.gz	GAIJGTGHOIPFLF-DGCLKSJQSA-N	-1	0	304.302	0.178	20	30		DCEDRM
N#Cc1cc2c(n(Cc3noc(CCC(=O)[O-])n3)c1=O)CCC2	ZINC001608198699	1170613662	/nfs/dbraw/zinc/61/36/62/1170613662.db2.gz	WVUSKUKFNIEQLA-UHFFFAOYSA-N	-1	0	314.301	0.657	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1O	ZINC001608199208	1170613724	/nfs/dbraw/zinc/61/37/24/1170613724.db2.gz	XSZIACNHSJVHBS-LLVKDONJSA-N	-1	0	317.301	0.069	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)OCC2(C(=O)[O-])CC2)cc1	ZINC001608200121	1170614119	/nfs/dbraw/zinc/61/41/19/1170614119.db2.gz	DFOATDAIQYTADC-UHFFFAOYSA-N	-1	0	302.286	0.696	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CN2CCOC[C@H]2CC(=O)[O-])cc1	ZINC001608205205	1170614678	/nfs/dbraw/zinc/61/46/78/1170614678.db2.gz	XSFVXWHQQAJOKT-CQSZACIVSA-N	-1	0	317.345	0.350	20	30		DCEDRM
N#Cc1ccc(CC(=O)NCc2ncc(C(=O)[O-])s2)cn1	ZINC001608203495	1170615137	/nfs/dbraw/zinc/61/51/37/1170615137.db2.gz	BBHXVEQASWMQLS-UHFFFAOYSA-N	-1	0	302.315	0.967	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cn1	ZINC001608206608	1170615244	/nfs/dbraw/zinc/61/52/44/1170615244.db2.gz	WZSUTSXLVQGAGA-STQMWFEESA-N	-1	0	300.318	0.323	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)c(F)c1	ZINC001608209349	1170615643	/nfs/dbraw/zinc/61/56/43/1170615643.db2.gz	DPLVSQKZPZKLRZ-LBPRGKRZSA-N	-1	0	316.285	0.885	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCN2CC=CC2)c(C(=O)[O-])c1	ZINC001608212068	1170616383	/nfs/dbraw/zinc/61/63/83/1170616383.db2.gz	SLRYCUIGEFTYDL-UHFFFAOYSA-N	-1	0	321.358	0.407	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)c1cc(C(=O)[O-])on1)CC(=O)N2	ZINC001608215072	1170617008	/nfs/dbraw/zinc/61/70/08/1170617008.db2.gz	XLNHTKUCGNZJGB-UHFFFAOYSA-N	-1	0	312.241	0.843	20	30		DCEDRM
N#Cc1cccc(C2(C(=O)N3CC[C@@](O)(C(=O)[O-])C3)CC2)c1	ZINC001608216215	1170617038	/nfs/dbraw/zinc/61/70/38/1170617038.db2.gz	GIUQMZNDRDHSIZ-INIZCTEOSA-N	-1	0	300.314	0.638	20	30		DCEDRM
N#Cc1ccc2ncc(CN3CCC[C@H](O)[C@@H]3C(=O)[O-])n2c1	ZINC001608215282	1170617279	/nfs/dbraw/zinc/61/72/79/1170617279.db2.gz	ZYLSGJJFJKKPCT-GXTWGEPZSA-N	-1	0	300.318	0.616	20	30		DCEDRM
N#Cc1cnc(N2CCC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cn1	ZINC001608222222	1170618521	/nfs/dbraw/zinc/61/85/21/1170618521.db2.gz	BKCMQRPHSWRDQP-NWDGAFQWSA-N	-1	0	315.333	0.154	20	30		DCEDRM
N#Cc1cncn(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1=O	ZINC001608221997	1170618640	/nfs/dbraw/zinc/61/86/40/1170618640.db2.gz	FEVAROBKFNRSRE-UHFFFAOYSA-N	-1	0	300.230	0.770	20	30		DCEDRM
N#Cc1cnc(NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cn1	ZINC001608223151	1170619468	/nfs/dbraw/zinc/61/94/68/1170619468.db2.gz	VSIIIDJFDNHVJM-NXEZZACHSA-N	-1	0	301.306	0.130	20	30		DCEDRM
O=C([O-])c1nccc(N2CCC[C@@H](NC(=O)C#CC3CC3)C2)n1	ZINC001608277729	1170640885	/nfs/dbraw/zinc/64/08/85/1170640885.db2.gz	QFMLUMPJHLKUBS-GFCCVEGCSA-N	-1	0	314.345	0.673	20	30		DCEDRM
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001608310605	1170646845	/nfs/dbraw/zinc/64/68/45/1170646845.db2.gz	OIPGLYBPVKXVCI-ZSNFEOKMSA-N	-1	0	321.333	0.272	20	30		DCEDRM
O=C([O-])[C@@H]1CCC(=NN=C2NS(=O)(=O)c3ccccc32)C1	ZINC001608617067	1170722673	/nfs/dbraw/zinc/72/26/73/1170722673.db2.gz	VBZQHHMOJAKBTH-MRVPVSSYSA-N	-1	0	307.331	0.966	20	30		DCEDRM
O=C([O-])Cc1csc(NC(=O)N[C@H]2CCCN(O)C2=O)n1	ZINC001608792734	1170754748	/nfs/dbraw/zinc/75/47/48/1170754748.db2.gz	UJSZGRIBHQGGCV-ZETCQYMHSA-N	-1	0	314.323	0.272	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)C(C)C	ZINC001609054371	1170794617	/nfs/dbraw/zinc/79/46/17/1170794617.db2.gz	IGDCSVMOJFVNRL-NWDGAFQWSA-N	-1	0	319.365	0.981	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)[C@@H]1CCCO1	ZINC001609058170	1170794826	/nfs/dbraw/zinc/79/48/26/1170794826.db2.gz	QZPRVNGLTUQHGD-PWSUYJOCSA-N	-1	0	310.331	0.239	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001609057861	1170794833	/nfs/dbraw/zinc/79/48/33/1170794833.db2.gz	IELPWKMWCOJMQX-VIFPVBQESA-N	-1	0	308.315	0.245	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(Br)n(C)n1)C(=O)[O-]	ZINC001609079057	1170801803	/nfs/dbraw/zinc/80/18/03/1170801803.db2.gz	VLXMMJLSCCCXMN-ZCFIWIBFSA-N	-1	0	300.112	0.389	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001609105211	1170812535	/nfs/dbraw/zinc/81/25/35/1170812535.db2.gz	OQQFKSHNUALGKX-NSHDSACASA-N	-1	0	320.345	0.657	20	30		DCEDRM
C#CCNC(=O)CN[C@H](C(=O)[O-])c1ccc(OC)cc1OC	ZINC001609159122	1170833715	/nfs/dbraw/zinc/83/37/15/1170833715.db2.gz	WGBFSMOJSHJBRN-AWEZNQCLSA-N	-1	0	306.318	0.169	20	30		DCEDRM
COCC#CCn1cc(Br)cc(-c2nnn[n-]2)c1=O	ZINC001609315656	1170929024	/nfs/dbraw/zinc/92/90/24/1170929024.db2.gz	PHPJRVFNMQGORL-UHFFFAOYSA-N	-1	0	324.138	0.441	20	30		DCEDRM
C=CC[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccncc1	ZINC001609320376	1170935606	/nfs/dbraw/zinc/93/56/06/1170935606.db2.gz	IEFYTXUCEGEBRZ-OLZOCXBDSA-N	-1	0	317.345	0.748	20	30		DCEDRM
C=CCN(C(=O)c1c[nH]c(C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC001609346018	1170946271	/nfs/dbraw/zinc/94/62/71/1170946271.db2.gz	XEWVCVXZJJIZBM-SNVBAGLBSA-N	-1	0	312.347	0.528	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])nn1	ZINC001609345899	1170948313	/nfs/dbraw/zinc/94/83/13/1170948313.db2.gz	MRGPBXONOWBYAM-JTQLQIEISA-N	-1	0	304.310	0.003	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)c1ccc(C(=O)[O-])cc1F	ZINC001609398729	1170965341	/nfs/dbraw/zinc/96/53/41/1170965341.db2.gz	FCKRYMQWFFPQQN-UHFFFAOYSA-N	-1	0	324.264	0.693	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C[C@@H]1COc2ccccc2O1)C(=O)[O-]	ZINC001609432307	1170975087	/nfs/dbraw/zinc/97/50/87/1170975087.db2.gz	NGTGCZJMAXACBN-VXGBXAGGSA-N	-1	0	321.329	0.989	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c(CC)c(CC)n[nH]c1=O)C(=O)[O-]	ZINC001609442769	1170978367	/nfs/dbraw/zinc/97/83/67/1170978367.db2.gz	FJASUSVCONYCIG-LLVKDONJSA-N	-1	0	323.349	0.693	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(-n2cccn2)nc1)C(=O)[O-]	ZINC001609443021	1170979351	/nfs/dbraw/zinc/97/93/51/1170979351.db2.gz	OXRMNDTXIQGFKY-GFCCVEGCSA-N	-1	0	316.317	0.653	20	30		DCEDRM
N#CCCCS(=O)(=O)Oc1ccc(F)nc1-c1nnn[n-]1	ZINC001609495530	1170997189	/nfs/dbraw/zinc/99/71/89/1170997189.db2.gz	VEGMRBYEAKMAAW-UHFFFAOYSA-N	-1	0	312.286	0.413	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1cc(C#N)ccc1F	ZINC001609498697	1170999557	/nfs/dbraw/zinc/99/95/57/1170999557.db2.gz	WUPJBMSSBNUOIS-UHFFFAOYSA-N	-1	0	309.268	0.576	20	30		DCEDRM
CC(C)CN1C[C@@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1=O	ZINC001609698958	1171068669	/nfs/dbraw/zinc/06/86/69/1171068669.db2.gz	KZZFYEAXEZMCGS-LBPRGKRZSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C[C@H](CC#N)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC001609725463	1171075413	/nfs/dbraw/zinc/07/54/13/1171075413.db2.gz	FBPJRPCLLOZZMF-BXKDBHETSA-N	-1	0	317.301	0.284	20	30		DCEDRM
C[C@@H](O)C(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC001609787490	1171085340	/nfs/dbraw/zinc/08/53/40/1171085340.db2.gz	DHNTZEYXYJWSAV-BXUZGUMPSA-N	-1	0	317.345	0.209	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(C#N)c1	ZINC001609835585	1171100681	/nfs/dbraw/zinc/10/06/81/1171100681.db2.gz	RHRXROCQNLPSCD-SKDRFNHKSA-N	-1	0	301.302	0.818	20	30		DCEDRM
C[C@H]1CN(C(=O)CON=Cc2ccc(C(=O)[O-])cc2)CCO1	ZINC001609864122	1171108348	/nfs/dbraw/zinc/10/83/48/1171108348.db2.gz	LCXMOMCOCHZLIY-NSHDSACASA-N	-1	0	306.318	0.983	20	30		DCEDRM
CC[C@](COC)(NC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001609923390	1171122583	/nfs/dbraw/zinc/12/25/83/1171122583.db2.gz	WMWITJVZKKCYHU-CQSZACIVSA-N	-1	0	306.322	0.361	20	30		DCEDRM
CCS(=O)(=O)NCCCNc1ccc(C(=O)[O-])nc1C#N	ZINC001610048459	1171146109	/nfs/dbraw/zinc/14/61/09/1171146109.db2.gz	RJOGCTJTJMJHDQ-UHFFFAOYSA-N	-1	0	312.351	0.393	20	30		DCEDRM
COC(=O)[C@H](OC(=O)COCC(=O)[O-])c1cccc(C#N)c1	ZINC001610155669	1171181082	/nfs/dbraw/zinc/18/10/82/1171181082.db2.gz	NSNBHXWQVMCWKX-CYBMUJFWSA-N	-1	0	307.258	0.417	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)c2cccc(OCC(=O)[O-])c2)C1	ZINC001610620286	1171270328	/nfs/dbraw/zinc/27/03/28/1171270328.db2.gz	DGTHPZDIBKMZAI-HNNXBMFYSA-N	-1	0	304.302	0.641	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1	ZINC001610620671	1171270632	/nfs/dbraw/zinc/27/06/32/1171270632.db2.gz	KZZBHKMNQFRLSM-LOWVWBTDSA-N	-1	0	316.379	0.310	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1	ZINC001610619615	1171270653	/nfs/dbraw/zinc/27/06/53/1171270653.db2.gz	MUEAKGALFNHCCP-UHFFFAOYSA-N	-1	0	301.302	0.672	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC001610622511	1171271406	/nfs/dbraw/zinc/27/14/06/1171271406.db2.gz	UKHDLRZMRPNNFG-UHFFFAOYSA-N	-1	0	313.291	0.335	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])nc1	ZINC001610628561	1171272205	/nfs/dbraw/zinc/27/22/05/1171272205.db2.gz	JZBDALJDRCXLSV-UWVGGRQHSA-N	-1	0	302.290	0.261	20	30		DCEDRM
N#Cc1cccc(C(=O)OCc2noc(CCC(=O)[O-])n2)n1	ZINC001610630503	1171272331	/nfs/dbraw/zinc/27/23/31/1171272331.db2.gz	RRCUCUZZVUWCBW-UHFFFAOYSA-N	-1	0	302.246	0.710	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@H]2C(=O)NCC(=O)[O-])c([N+](=O)[O-])c1	ZINC001610628463	1171272871	/nfs/dbraw/zinc/27/28/71/1171272871.db2.gz	FVCYUQLBPWKXNK-NSHDSACASA-N	-1	0	318.289	0.636	20	30		DCEDRM
N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001610632182	1171273364	/nfs/dbraw/zinc/27/33/64/1171273364.db2.gz	FUZFRQUUNCNXEV-QWHCGFSZSA-N	-1	0	305.290	0.876	20	30		DCEDRM
N#Cc1sc(N2CCC[C@H]2C(=O)NCC(=O)[O-])nc1Cl	ZINC001610636949	1171274952	/nfs/dbraw/zinc/27/49/52/1171274952.db2.gz	PMHOHRVXYSZUER-LURJTMIESA-N	-1	0	314.754	0.838	20	30		DCEDRM
C=C[C@@H](C)ONC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001628287546	1171523140	/nfs/dbraw/zinc/52/31/40/1171523140.db2.gz	YQLADOSOGBBDIU-SNVBAGLBSA-N	-1	0	303.322	0.808	20	30		DCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CSCC#N	ZINC000042338424	1171524407	/nfs/dbraw/zinc/52/44/07/1171524407.db2.gz	DZLISSIVOYJXHE-UHFFFAOYSA-N	-1	0	302.381	0.939	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-]	ZINC001628849161	1171537216	/nfs/dbraw/zinc/53/72/16/1171537216.db2.gz	AWZICPMCUDYPEM-SNVBAGLBSA-N	-1	0	321.283	0.970	20	30		DCEDRM
CC[C@](C)(C#N)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001632151417	1171611585	/nfs/dbraw/zinc/61/15/85/1171611585.db2.gz	VBAVVWOSQOFFCB-CQSZACIVSA-N	-1	0	301.306	0.688	20	30		DCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC001633179501	1171635661	/nfs/dbraw/zinc/63/56/61/1171635661.db2.gz	MBABUDWORXNQNG-NSHDSACASA-N	-1	0	313.379	0.510	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)nn1	ZINC001633387816	1171639697	/nfs/dbraw/zinc/63/96/97/1171639697.db2.gz	XLNKHPKIVUTNGR-SNVBAGLBSA-N	-1	0	320.382	0.298	20	30		DCEDRM
N#Cc1cccc(ONC(=O)CCCn2c(=O)[n-][nH]c2=O)c1	ZINC001635510744	1171705695	/nfs/dbraw/zinc/70/56/95/1171705695.db2.gz	KMGBWBBZAOPNKH-UHFFFAOYSA-N	-1	0	303.278	0.451	20	30		DCEDRM
CCc1ccc(O)c(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001637653986	1171774060	/nfs/dbraw/zinc/77/40/60/1171774060.db2.gz	KEOWPDPACGIPFH-UHFFFAOYSA-N	-1	0	314.301	0.727	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001638181284	1171792303	/nfs/dbraw/zinc/79/23/03/1171792303.db2.gz	BSKCSYNIKXDHEV-CHWSQXEVSA-N	-1	0	320.397	0.452	20	30		DCEDRM
C=C(C)CO[N-]C(=O)c1cc(S(=O)(=O)CC)c[nH]c1=O	ZINC001640656871	1171887852	/nfs/dbraw/zinc/88/78/52/1171887852.db2.gz	YMVQIQSVQOLIAK-UHFFFAOYSA-N	-1	0	300.336	0.818	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2ccnc(Br)c2)c1=O	ZINC001641220042	1171908268	/nfs/dbraw/zinc/90/82/68/1171908268.db2.gz	IJXBCSJVTOJVFC-UHFFFAOYSA-N	-1	0	307.107	0.614	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCO[C@@H]2CCCCO2)c(C#N)c1=O	ZINC001642655869	1171952595	/nfs/dbraw/zinc/95/25/95/1171952595.db2.gz	DKPWMAJLBPEZEI-LLVKDONJSA-N	-1	0	308.338	0.290	20	30		DCEDRM
Cn1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2C#N)c1=O	ZINC001647087633	1172666278	/nfs/dbraw/zinc/66/62/78/1172666278.db2.gz	GUSVCSCOWFNYKF-UHFFFAOYSA-N	-1	0	317.326	0.376	20	30		DCEDRM
COC[C@@](C)(O)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001647099604	1172674659	/nfs/dbraw/zinc/67/46/59/1172674659.db2.gz	KNPXXJGNDLOZRY-ZDUSSCGKSA-N	-1	0	311.363	0.508	20	30		DCEDRM
Cc1noc(CCC(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)n1	ZINC001647205645	1172740194	/nfs/dbraw/zinc/74/01/94/1172740194.db2.gz	VDVMPPRTQJPDBK-UHFFFAOYSA-N	-1	0	321.318	0.082	20	30		DCEDRM
COc1cccc(CN(C)c2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001647623945	1173004640	/nfs/dbraw/zinc/00/46/40/1173004640.db2.gz	UUNSZSIJCSPBRN-UHFFFAOYSA-N	-1	0	300.318	0.590	20	30		DCEDRM
COc1cnc(F)c(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001648149712	1173068489	/nfs/dbraw/zinc/06/84/89/1173068489.db2.gz	UZDPYKKFWYWWCR-UHFFFAOYSA-N	-1	0	319.252	0.002	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001652166815	1173763684	/nfs/dbraw/zinc/76/36/84/1173763684.db2.gz	LQLFFJSYAAQFDK-UHFFFAOYSA-N	-1	0	302.334	0.566	20	30		DCEDRM
C#CC[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1	ZINC001655955800	1173831413	/nfs/dbraw/zinc/83/14/13/1173831413.db2.gz	ATIBNSXKHYESQE-SSDOTTSWSA-N	-1	0	321.738	0.382	20	30		DCEDRM
C=C(C)CCC(=O)NC1(C[NH2+]Cc2nc(=O)n(C)[nH]2)CCCC1	ZINC001665924889	1174574000	/nfs/dbraw/zinc/57/40/00/1174574000.db2.gz	AGOBOCJZZHSJBT-UHFFFAOYSA-N	-1	0	321.425	0.983	20	30		DCEDRM
C#CCN(C(=O)[C@H](C)C#N)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001671464907	1175013770	/nfs/dbraw/zinc/01/37/70/1175013770.db2.gz	CNXIGKPHZJPXAZ-LLVKDONJSA-N	-1	0	316.365	0.096	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001675487489	1175362855	/nfs/dbraw/zinc/36/28/55/1175362855.db2.gz	ZASQQPJKVZKIIA-LLVKDONJSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=CCOCC(=O)N[C@]1(C)CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001689704560	1177011459	/nfs/dbraw/zinc/01/14/59/1177011459.db2.gz	IRAWBUWOSDMDSQ-OAHLLOKOSA-N	-1	0	322.365	0.347	20	30		DCEDRM
C#Cc1cncc(C(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)c1	ZINC001689839432	1177087849	/nfs/dbraw/zinc/08/78/49/1177087849.db2.gz	XJSHWENXHUZSAM-UHFFFAOYSA-N	-1	0	314.349	0.139	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001704249610	1179947931	/nfs/dbraw/zinc/94/79/31/1179947931.db2.gz	NHFCIINBYGADBY-CQSZACIVSA-N	-1	0	323.353	0.073	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)N1CC(NC(=O)c2cn[nH]n2)C1)OCC	ZINC001704533820	1180046452	/nfs/dbraw/zinc/04/64/52/1180046452.db2.gz	RUWDXCGMHOKBQV-GFCCVEGCSA-N	-1	0	307.354	0.117	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)C#CC(C)(C)C)c1[O-]	ZINC001720909483	1183762085	/nfs/dbraw/zinc/76/20/85/1183762085.db2.gz	ZREBBODJEHNYKZ-VIFPVBQESA-N	-1	0	306.366	0.708	20	30		DCEDRM
C=CCOCC(=O)N1CC([C@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001734875287	1186756443	/nfs/dbraw/zinc/75/64/43/1186756443.db2.gz	DTKZYSHHWAXCGF-VIFPVBQESA-N	-1	0	322.365	0.203	20	30		DCEDRM
C=CCOCC(=O)N1CC([C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001734875285	1186756732	/nfs/dbraw/zinc/75/67/32/1186756732.db2.gz	DTKZYSHHWAXCGF-SECBINFHSA-N	-1	0	322.365	0.203	20	30		DCEDRM
C#CCCCC(=O)NCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001736728727	1187069798	/nfs/dbraw/zinc/06/97/98/1187069798.db2.gz	RXRZHSCSIPZNPZ-UHFFFAOYSA-N	-1	0	316.317	0.578	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001738406959	1187533008	/nfs/dbraw/zinc/53/30/08/1187533008.db2.gz	MMXXEGFJTFDKAN-JTQLQIEISA-N	-1	0	324.381	0.233	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001747938235	1188312949	/nfs/dbraw/zinc/31/29/49/1188312949.db2.gz	LKLVJCQWCIROGB-HNNXBMFYSA-N	-1	0	322.365	0.034	20	30		DCEDRM
C#Cc1cncc(C(=O)NCCN(CC)Cc2n[nH]c(=O)[n-]2)c1	ZINC001753088298	1188494378	/nfs/dbraw/zinc/49/43/78/1188494378.db2.gz	CPMBVKYHLURGMA-UHFFFAOYSA-N	-1	0	314.349	0.139	20	30		DCEDRM
CC#CCN1CCN(CCN(C)C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001753342725	1188568929	/nfs/dbraw/zinc/56/89/29/1188568929.db2.gz	ZOLCXMSBJBJQIM-UHFFFAOYSA-N	-1	0	319.409	0.137	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCC[C@H](C)NC(=O)[C@H](C)C#N)c1[O-]	ZINC001756928779	1189478486	/nfs/dbraw/zinc/47/84/86/1189478486.db2.gz	ODJHAPJLCHRDSC-ZJUUUORDSA-N	-1	0	321.381	0.988	20	30		DCEDRM
C#CCCCC(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001759953413	1190345597	/nfs/dbraw/zinc/34/55/97/1190345597.db2.gz	JAEJZTUSOFHRDI-UHFFFAOYSA-N	-1	0	304.350	0.510	20	30		DCEDRM
C=CCCC(=O)NC[C@@]1(O)CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001760092899	1190378260	/nfs/dbraw/zinc/37/82/60/1190378260.db2.gz	VZRXOXTXQQPJFX-HNNXBMFYSA-N	-1	0	322.365	0.083	20	30		DCEDRM
CC(C)(C)C(=O)Nc1ccc(/C=N/O)nc1N[C@@H]1CO[N-]C1=O	ZINC001167511259	747348199	/nfs/dbraw/zinc/34/81/99/747348199.db2.gz	YTCMNEDQECBCFK-UWJMNNEMSA-N	-1	0	321.337	0.716	20	30		DCEDRM
C=C[C@@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC001167527152	747355049	/nfs/dbraw/zinc/35/50/49/747355049.db2.gz	KWONZTWFFWTPLK-CQSZACIVSA-N	-1	0	324.340	0.907	20	30		DCEDRM
C[C@H]1CN(c2nccnc2C#N)CC[C@H]1NC(=O)c1cn[nH]n1	ZINC001067446162	747518101	/nfs/dbraw/zinc/51/81/01/747518101.db2.gz	PKCKZSWLMZYIOD-VHSXEESVSA-N	-1	0	312.337	0.111	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)NC[C@H](C)Nc1nccnc1C#N	ZINC001098229212	747976691	/nfs/dbraw/zinc/97/66/91/747976691.db2.gz	QOFBGLJTTSNYJA-QMMMGPOBSA-N	-1	0	313.321	0.383	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)N(CCOC)CCC(=O)[O-])CC1	ZINC000904936887	750430681	/nfs/dbraw/zinc/43/06/81/750430681.db2.gz	SGRJRQMIWSDADB-UHFFFAOYSA-N	-1	0	312.366	0.361	20	30		DCEDRM
C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)c1c[n-]n2c1nccc2=O	ZINC001044766621	752863032	/nfs/dbraw/zinc/86/30/32/752863032.db2.gz	DKLQJFGQOSRFAG-MNOVXSKESA-N	-1	0	314.349	0.129	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001071909445	762219413	/nfs/dbraw/zinc/21/94/13/762219413.db2.gz	LBOJGPGELKHJEN-PWSUYJOCSA-N	-1	0	318.377	0.660	20	30		DCEDRM
C=CCCC1(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1	ZINC001113310975	762237689	/nfs/dbraw/zinc/23/76/89/762237689.db2.gz	WIROUKZNVDIETO-UHFFFAOYSA-N	-1	0	305.382	0.901	20	30		DCEDRM
C#CCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001071999398	762286561	/nfs/dbraw/zinc/28/65/61/762286561.db2.gz	NPZLYVZFEOHTEI-ZYHUDNBSSA-N	-1	0	318.377	0.804	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)cn2)c1[O-]	ZINC001062478015	754759842	/nfs/dbraw/zinc/75/98/42/754759842.db2.gz	UKEAFOFAVVUROU-RYUDHWBXSA-N	-1	0	324.344	0.794	20	30		DCEDRM
C=CCOCC(=O)N1CC(N(CC)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001079611835	755934386	/nfs/dbraw/zinc/93/43/86/755934386.db2.gz	OTUNDWIDJVJEAO-UHFFFAOYSA-N	-1	0	322.365	0.299	20	30		DCEDRM
C[C@@]1(Br)C[C@@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001118856144	757086714	/nfs/dbraw/zinc/08/67/14/757086714.db2.gz	QGKLGYPPDKXLEX-VXNVDRBHSA-N	-1	0	309.185	0.910	20	30		DCEDRM
CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ccc(C#N)[nH]1	ZINC001085553256	759033253	/nfs/dbraw/zinc/03/32/53/759033253.db2.gz	AOBWVMJCCUCYEP-JTQLQIEISA-N	-1	0	315.337	0.057	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CNc2cncc(C#N)n2)c1[O-]	ZINC001108313619	760374790	/nfs/dbraw/zinc/37/47/90/760374790.db2.gz	JZXQBWOJGJVOKR-ZETCQYMHSA-N	-1	0	301.310	0.316	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001099947200	763153967	/nfs/dbraw/zinc/15/39/67/763153967.db2.gz	RUHLABXLVFUHKK-MNOVXSKESA-N	-1	0	323.397	0.164	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001132029734	764211026	/nfs/dbraw/zinc/21/10/26/764211026.db2.gz	PDCNGLFYPGYFGA-NWDGAFQWSA-N	-1	0	321.381	0.019	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1cn(C)cn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170744078	765458749	/nfs/dbraw/zinc/45/87/49/765458749.db2.gz	JELNVXICMXPGGF-NOZJJQNGSA-N	-1	0	310.379	0.385	20	30		DCEDRM
C[C@@H](CCCNc1cncc(C#N)n1)NC(=O)c1cn[nH]n1	ZINC001115114694	765595138	/nfs/dbraw/zinc/59/51/38/765595138.db2.gz	OHHFWMNSIQGRSQ-VIFPVBQESA-N	-1	0	300.326	0.477	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)C(C)C)CC1	ZINC001116458731	765872276	/nfs/dbraw/zinc/87/22/76/765872276.db2.gz	SLXXFMSRIQTSOJ-UHFFFAOYSA-N	-1	0	302.396	0.513	20	30		DCEDRM
N#CCN[C@@H]1CC[C@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001086822337	766256063	/nfs/dbraw/zinc/25/60/63/766256063.db2.gz	BQJRYNSWUFQTPR-WDEREUQCSA-N	-1	0	314.349	0.034	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnc(Cl)n1C	ZINC001119492622	766696037	/nfs/dbraw/zinc/69/60/37/766696037.db2.gz	YFQBKWZQVUVZIA-UHFFFAOYSA-N	-1	0	303.771	0.928	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccn1)C(=O)[O-]	ZINC001119645712	766759373	/nfs/dbraw/zinc/75/93/73/766759373.db2.gz	VKAHBNHZAJSTMA-ZIAGYGMSSA-N	-1	0	301.346	0.639	20	30		DCEDRM
N#Cc1cc(NC(=O)CCCS(N)(=O)=O)c([O-])cc1F	ZINC001144593569	766983400	/nfs/dbraw/zinc/98/34/00/766983400.db2.gz	BQBYDHOLRYCLPS-UHFFFAOYSA-N	-1	0	301.299	0.410	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@]2(CCOC2)C1	ZINC001121561480	767591964	/nfs/dbraw/zinc/59/19/64/767591964.db2.gz	DJDUZOGTMVGCCX-OAHLLOKOSA-N	-1	0	316.365	0.305	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@H](CC#N)C1	ZINC001121663201	767616547	/nfs/dbraw/zinc/61/65/47/767616547.db2.gz	MXVJJBPVLBUIIC-LLVKDONJSA-N	-1	0	313.365	0.818	20	30		DCEDRM
C=CCC1(O)CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC)CC1	ZINC001121828366	767643609	/nfs/dbraw/zinc/64/36/09/767643609.db2.gz	UCKBGISQDSRBLP-UHFFFAOYSA-N	-1	0	318.381	0.429	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@@H](OC)C1	ZINC001122512639	767821078	/nfs/dbraw/zinc/82/10/78/767821078.db2.gz	OHQCZTVTRUEOEE-LLVKDONJSA-N	-1	0	318.381	0.693	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1	ZINC001137940999	768394822	/nfs/dbraw/zinc/39/48/22/768394822.db2.gz	VNGPFLVDDOLADX-UHFFFAOYSA-N	-1	0	320.330	0.502	20	30		DCEDRM
COCCCCN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001142426528	768643633	/nfs/dbraw/zinc/64/36/33/768643633.db2.gz	LBROPZKDGLCESD-UHFFFAOYSA-N	-1	0	308.338	0.096	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F	ZINC001149451832	768755558	/nfs/dbraw/zinc/75/55/58/768755558.db2.gz	HAOGASHSMPSVFH-GFCCVEGCSA-N	-1	0	323.324	0.423	20	30		DCEDRM
C#C[C@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)[C@H](CC)CCCC	ZINC001234377035	769640130	/nfs/dbraw/zinc/64/01/30/769640130.db2.gz	WYJVWBKWKOTESU-ZJUUUORDSA-N	-1	0	306.314	0.306	20	30		DCEDRM
COc1ccc2c(c1)[n-]c(C(=O)n1nc(N)c(C#N)c1N)cc2=O	ZINC001154113239	770076146	/nfs/dbraw/zinc/07/61/46/770076146.db2.gz	MYOSYQDXUFZFPM-UHFFFAOYSA-N	-1	0	324.300	0.458	20	30		DCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(C#N)nc2)nc1	ZINC001241426240	770264638	/nfs/dbraw/zinc/26/46/38/770264638.db2.gz	QXFIGCVPAYQOOD-UHFFFAOYSA-N	-1	0	302.315	0.840	20	30		DCEDRM
C=C[C@H]1C[C@]1(NC(=O)c1ccn(C)c1CC(=O)[O-])C(=O)OCC	ZINC001177369431	770419154	/nfs/dbraw/zinc/41/91/54/770419154.db2.gz	QBGQYIRRZQKURU-MGPLVRAMSA-N	-1	0	320.345	0.890	20	30		DCEDRM
N#CCNCCCCCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001178932878	770897590	/nfs/dbraw/zinc/89/75/90/770897590.db2.gz	LDXXMEAITAAHHR-UHFFFAOYSA-N	-1	0	322.369	0.005	20	30		DCEDRM
N#Cc1nc(Cl)cnc1NC(=N)SCCS(=O)(=O)[O-]	ZINC001157322221	771586066	/nfs/dbraw/zinc/58/60/66/771586066.db2.gz	WGHKPNSMYABPRP-UHFFFAOYSA-N	-1	0	321.771	0.969	20	30		DCEDRM
N#C[C@H]1COCCN1C(=O)COc1ccc(OCC(=O)[O-])cc1	ZINC001183907901	771720694	/nfs/dbraw/zinc/72/06/94/771720694.db2.gz	ZXYXYLGZNGMELR-NSHDSACASA-N	-1	0	320.301	0.280	20	30		DCEDRM
COC(=O)[C@@]12COC[C@@H]1CN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001184244287	771763337	/nfs/dbraw/zinc/76/33/37/771763337.db2.gz	HQRBSTAVJBWIBT-GUYCJALGSA-N	-1	0	318.349	0.684	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1cc(C)cnn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001159645640	771937855	/nfs/dbraw/zinc/93/78/55/771937855.db2.gz	FLLYBXQRNCXTQN-QMTHXVAHSA-N	-1	0	322.390	0.750	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ncc[n-]2)c1	ZINC001185654377	771940596	/nfs/dbraw/zinc/94/05/96/771940596.db2.gz	LCEITVHBEBEXAN-UHFFFAOYSA-N	-1	0	304.331	0.308	20	30		DCEDRM
COC(=O)[C@H]1CCN(CC(=O)Nc2ccc(O)c(C#N)c2)C1	ZINC001186109473	772007070	/nfs/dbraw/zinc/00/70/70/772007070.db2.gz	JTVKLWXFIQMPQA-JTQLQIEISA-N	-1	0	303.318	0.697	20	30		DCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)n1	ZINC001186896005	772102844	/nfs/dbraw/zinc/10/28/44/772102844.db2.gz	IKFOWVRNHOFUNJ-UHFFFAOYSA-N	-1	0	315.314	0.644	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC001161393348	772216375	/nfs/dbraw/zinc/21/63/75/772216375.db2.gz	PXADMRONWLUVIK-SECBINFHSA-N	-1	0	314.301	0.219	20	30		DCEDRM
[NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)c1ccc[nH]1	ZINC001188582424	772328161	/nfs/dbraw/zinc/32/81/61/772328161.db2.gz	UUKSNKPEUFFUNB-SECBINFHSA-N	-1	0	323.311	0.171	20	30		DCEDRM
N#Cc1cnn2c1ncc(C#N)c2NC(=O)c1ccncc1[O-]	ZINC001188628717	772336460	/nfs/dbraw/zinc/33/64/60/772336460.db2.gz	IFSFAGCPGJUKAY-UHFFFAOYSA-N	-1	0	305.257	0.826	20	30		DCEDRM
Cc1c(Oc2[n-]c(=O)n(C)c(=O)c2C#N)cccc1[N+](=O)[O-]	ZINC001162209789	772341612	/nfs/dbraw/zinc/34/16/12/772341612.db2.gz	AYKMFRAZUBEBDM-UHFFFAOYSA-N	-1	0	302.246	0.954	20	30		DCEDRM
C#Cc1ccc(C(=O)NC(=N)SCCS(=O)(=O)[O-])cc1	ZINC001188739295	772353624	/nfs/dbraw/zinc/35/36/24/772353624.db2.gz	JABIREVOHIZBBT-UHFFFAOYSA-N	-1	0	312.372	0.953	20	30		DCEDRM
COC1(OC)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C[C@@H]1O	ZINC001162904701	772430345	/nfs/dbraw/zinc/43/03/45/772430345.db2.gz	JHTJNGUOQOINBB-NSHDSACASA-N	-1	0	321.333	0.163	20	30		DCEDRM
N#Cc1cncc(Br)c1N[C@H]1SC(=O)[N-]C1=O	ZINC001163672687	772556692	/nfs/dbraw/zinc/55/66/92/772556692.db2.gz	PKIXCSUEZDLHAD-QMMMGPOBSA-N	-1	0	313.136	0.859	20	30		DCEDRM
N#Cc1ncc(NCC[N-]C(=O)C(F)(F)F)cc1[N+](=O)[O-]	ZINC001164243978	772630516	/nfs/dbraw/zinc/63/05/16/772630516.db2.gz	OJVBOOAGTGCNGN-UHFFFAOYSA-N	-1	0	303.200	0.952	20	30		DCEDRM
C=CCn1c(Sc2c(C)[n-][nH]c2=O)nnc1-c1cnccn1	ZINC001165788676	772762779	/nfs/dbraw/zinc/76/27/79/772762779.db2.gz	DAWBHBJYNVUZOD-JTQLQIEISA-N	-1	0	315.362	0.888	20	30		DCEDRM
COC[C@H]([N-]S(=O)(=O)CC#N)C(=O)OCc1ccccc1	ZINC001192994026	772985758	/nfs/dbraw/zinc/98/57/58/772985758.db2.gz	KFZQLIULNPIJGE-LBPRGKRZSA-N	-1	0	312.347	0.188	20	30		DCEDRM
N#CCS(=O)(=O)[N-]C1=C(Cl)C(=O)c2ccccc2C1=O	ZINC001192994242	772985888	/nfs/dbraw/zinc/98/58/88/772985888.db2.gz	NITMFSZENYWISS-UHFFFAOYSA-N	-1	0	310.718	0.959	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1CCCO1	ZINC001193106536	773005823	/nfs/dbraw/zinc/00/58/23/773005823.db2.gz	GYFWZWHQIKSECW-RKDXNWHRSA-N	-1	0	322.350	0.789	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)N2CCOCC2)cn1	ZINC001193105619	773006216	/nfs/dbraw/zinc/00/62/16/773006216.db2.gz	AKSYGAFDANUHAT-JTQLQIEISA-N	-1	0	324.362	0.208	20	30		DCEDRM
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(=O)[nH][n-]2)C[C@H]1C#N	ZINC001193467357	773067499	/nfs/dbraw/zinc/06/74/99/773067499.db2.gz	PRTDUGKWFCPYRB-SECBINFHSA-N	-1	0	321.337	0.700	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCC3(CC2)COCC(=O)N3)ccc1[O-]	ZINC001193507289	773076510	/nfs/dbraw/zinc/07/65/10/773076510.db2.gz	UZZJZGPDVFRKTJ-UHFFFAOYSA-N	-1	0	315.329	0.385	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CCc3[nH]c(=O)[nH]c(=O)c3C2)c1[O-]	ZINC001193644085	773093742	/nfs/dbraw/zinc/09/37/42/773093742.db2.gz	OIACEMOTJKYOFO-UHFFFAOYSA-N	-1	0	312.285	0.664	20	30		DCEDRM
CC(=O)OCN1CCC(NC(=O)c2cccc(C#N)c2[O-])CC1	ZINC001193660360	773099229	/nfs/dbraw/zinc/09/92/29/773099229.db2.gz	XPADZUOTDDHRJI-UHFFFAOYSA-N	-1	0	317.345	0.979	20	30		DCEDRM
Cc1ncc(S(=O)(=O)[N-]c2nc(C)c(C#N)cc2C#N)n1C	ZINC001198356698	773915022	/nfs/dbraw/zinc/91/50/22/773915022.db2.gz	YFXIKCPMWLXOEQ-UHFFFAOYSA-N	-1	0	316.346	0.976	20	30		DCEDRM
N#Cc1c(N)nc(=NC2CC2)n(-c2cc(F)c([O-])cc2F)c1N	ZINC001215570767	774083562	/nfs/dbraw/zinc/08/35/62/774083562.db2.gz	NGFUGOJKNWCVLS-UHFFFAOYSA-N	-1	0	318.287	0.955	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCN1CCCCO1	ZINC001224282534	775552689	/nfs/dbraw/zinc/55/26/89/775552689.db2.gz	MFFDOECCNSGIKI-LBPRGKRZSA-N	-1	0	309.384	0.489	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](OCC[P@@](=O)([O-])O)C1	ZINC001224603572	775587274	/nfs/dbraw/zinc/58/72/74/775587274.db2.gz	AEPBJEXWUAQBBI-NXEZZACHSA-N	-1	0	320.282	0.940	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC1CC(OC)(OC)C1	ZINC001224623914	775590833	/nfs/dbraw/zinc/59/08/33/775590833.db2.gz	UPGVGASJVVHSEM-LBPRGKRZSA-N	-1	0	324.395	0.861	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nnc(OC)s1	ZINC001226524238	775829834	/nfs/dbraw/zinc/82/98/34/775829834.db2.gz	OCUQYMHGYNXDSD-SSDOTTSWSA-N	-1	0	310.353	0.385	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccnc(=S)[nH]1	ZINC001226940687	775899295	/nfs/dbraw/zinc/89/92/95/775899295.db2.gz	TTYFNBWOAJLMQO-QMMMGPOBSA-N	-1	0	306.365	0.603	20	30		DCEDRM
C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1cc(=O)[nH]cn1	ZINC001226947345	775900604	/nfs/dbraw/zinc/90/06/04/775900604.db2.gz	PPIYEOZNJIVCFM-SNVBAGLBSA-N	-1	0	308.290	0.778	20	30		DCEDRM
N#CCN[C@@H]1CCCC[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001227193362	775941260	/nfs/dbraw/zinc/94/12/60/775941260.db2.gz	MJBPYTXENDRTDK-GHMZBOCLSA-N	-1	0	322.369	0.010	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncnc2[nH]cnc21	ZINC001227531669	775983037	/nfs/dbraw/zinc/98/30/37/775983037.db2.gz	LUNWIWSENSPGLA-QMMMGPOBSA-N	-1	0	314.323	0.191	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncnc2[nH]cnc21	ZINC001227531665	775983057	/nfs/dbraw/zinc/98/30/57/775983057.db2.gz	LUNWIWSENSPGLA-MRVPVSSYSA-N	-1	0	314.323	0.191	20	30		DCEDRM
CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1nc(=O)[n-]c(=O)[nH]1	ZINC001227569639	775986250	/nfs/dbraw/zinc/98/62/50/775986250.db2.gz	DSLCFWNFDZGCCI-MRVPVSSYSA-N	-1	0	311.370	0.474	20	30		DCEDRM
O=C([O-])CC[C@@H](O)C(=O)Oc1ccc(O)c2c1C(=O)C=CC2=O	ZINC001229405765	776187882	/nfs/dbraw/zinc/18/78/82/776187882.db2.gz	ATSKPSQBFRYYLB-SNVBAGLBSA-N	-1	0	320.253	0.459	20	30		DCEDRM
O=C(C#CC1CC1)N1CC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1	ZINC001042057571	777666769	/nfs/dbraw/zinc/66/67/69/777666769.db2.gz	LFIUQFFRNAJZHJ-QWHCGFSZSA-N	-1	0	315.377	0.347	20	30		DCEDRM
O=C(C#CC1CC1)N1CC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1	ZINC001042057572	777666917	/nfs/dbraw/zinc/66/69/17/777666917.db2.gz	LFIUQFFRNAJZHJ-STQMWFEESA-N	-1	0	315.377	0.347	20	30		DCEDRM
C#C[C@@H](NC(=O)NCc1ncc(C(=O)[O-])s1)[C@H]1CCCO1	ZINC001602674034	1169155229	/nfs/dbraw/zinc/15/52/29/1169155229.db2.gz	LEPNPWKLPOEUNG-RKDXNWHRSA-N	-1	0	309.347	0.821	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1c(F)cc(F)cc1OC)C(=O)[O-]	ZINC001602698351	1169164085	/nfs/dbraw/zinc/16/40/85/1169164085.db2.gz	CTVYMRULOUZMBD-VIFPVBQESA-N	-1	0	319.285	0.728	20	30		DCEDRM
C=CCC(C)(C)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001602836219	1169190415	/nfs/dbraw/zinc/19/04/15/1169190415.db2.gz	JEYVWRLIMFWJBW-UHFFFAOYSA-N	-1	0	308.338	0.775	20	30		DCEDRM
Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2ccccc2C#N)cn1	ZINC001317907681	945215829	/nfs/dbraw/zinc/21/58/29/945215829.db2.gz	WZYMWTOZTGCAHB-VOTSOKGWSA-N	-1	0	316.342	0.810	20	30		DCEDRM
C=CCCCC(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001266292500	939053813	/nfs/dbraw/zinc/05/38/13/939053813.db2.gz	LCAZJPHXLUUHNY-UHFFFAOYSA-N	-1	0	322.413	0.100	20	30		DCEDRM
COCC#CCN1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001317963692	945227050	/nfs/dbraw/zinc/22/70/50/945227050.db2.gz	AQRMEUMDTPJYIY-LBPRGKRZSA-N	-1	0	306.366	0.268	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@@H](CCC(=O)[O-])CN1CCOCC1	ZINC001349510919	939295080	/nfs/dbraw/zinc/29/50/80/939295080.db2.gz	SLVGHSPPENPJRY-LBPRGKRZSA-N	-1	0	320.411	0.048	20	30		DCEDRM
Cc1nn(C)c2ncc(C=Nn3c([S-])nnc(C)c3=O)cc12	ZINC001318075180	945256743	/nfs/dbraw/zinc/25/67/43/945256743.db2.gz	CDOZQHAJNXGAMV-UHFFFAOYSA-N	-1	0	315.362	0.708	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H](CO)c2ccc(F)cc2)c(C#N)c1=O	ZINC001412887340	942124713	/nfs/dbraw/zinc/12/47/13/942124713.db2.gz	OUESZICWLUUFIK-JTQLQIEISA-N	-1	0	318.308	0.272	20	30		DCEDRM
N#Cc1cncc(NC[C@H](O)CNC(=O)c2ccccc2O)n1	ZINC001105756689	942538504	/nfs/dbraw/zinc/53/85/04/942538504.db2.gz	YJLIYUIFHACDDK-NSHDSACASA-N	-1	0	313.317	0.257	20	30		DCEDRM
COc1ccccc1N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001413238068	942579140	/nfs/dbraw/zinc/57/91/40/942579140.db2.gz	SKGDUEXGBZWJHO-UHFFFAOYSA-N	-1	0	314.301	0.492	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1	ZINC001601063471	970925958	/nfs/dbraw/zinc/92/59/58/970925958.db2.gz	WCIPZKHVUPEWCC-HNNXBMFYSA-N	-1	0	304.302	0.641	20	30		DCEDRM
N#CCOc1ccc(CC(=O)NC2(C(=O)[O-])CCOCC2)cc1	ZINC001601073987	970927306	/nfs/dbraw/zinc/92/73/06/970927306.db2.gz	UDZAFRVXWWZCIT-UHFFFAOYSA-N	-1	0	318.329	0.881	20	30		DCEDRM
CSc1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1C#N	ZINC001413573626	943091114	/nfs/dbraw/zinc/09/11/14/943091114.db2.gz	JMXRNHDIPIJHNW-UHFFFAOYSA-N	-1	0	317.330	0.806	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001484238719	943241757	/nfs/dbraw/zinc/24/17/57/943241757.db2.gz	LESVHQQMIXGDAC-CABCVRRESA-N	-1	0	323.397	0.166	20	30		DCEDRM
CC(C)CC[C@@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413690293	943588275	/nfs/dbraw/zinc/58/82/75/943588275.db2.gz	NBKBINYBVOMXSB-LLVKDONJSA-N	-1	0	321.381	0.944	20	30		DCEDRM
O=C(C#CC1CC1)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001317170952	944835810	/nfs/dbraw/zinc/83/58/10/944835810.db2.gz	KPIXRSLMNVLKHP-GFCCVEGCSA-N	-1	0	303.366	0.394	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)[N-]OC1CCOCC1	ZINC001320381226	945847838	/nfs/dbraw/zinc/84/78/38/945847838.db2.gz	MWBYLFVAIYVHDP-UHFFFAOYSA-N	-1	0	319.317	0.732	20	30		DCEDRM
COC(=O)c1ccccc1S(=O)(=O)[N-]c1cnc(C#N)cn1	ZINC001253937039	946204893	/nfs/dbraw/zinc/20/48/93/946204893.db2.gz	HBRMXESKHYJAIM-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C#CC[S@](=O)Cc1cn(Cc2ccccc2C(=O)[O-])nn1	ZINC001254103273	946316375	/nfs/dbraw/zinc/31/63/75/946316375.db2.gz	YEXFRKAHCSEYLL-NRFANRHFSA-N	-1	0	303.343	0.907	20	30		DCEDRM
C#CC[S@](=O)Cc1cn(Cc2cccc(C(=O)[O-])c2)nn1	ZINC001254099678	946316402	/nfs/dbraw/zinc/31/64/02/946316402.db2.gz	PWAUAOVDEKPHOY-NRFANRHFSA-N	-1	0	303.343	0.907	20	30		DCEDRM
C#CC[S@@](=O)Cc1cn(Cc2cccc(C(=O)[O-])c2)nn1	ZINC001254099679	946316505	/nfs/dbraw/zinc/31/65/05/946316505.db2.gz	PWAUAOVDEKPHOY-OAQYLSRUSA-N	-1	0	303.343	0.907	20	30		DCEDRM
Cc1[nH]c(C=Nn2cnc3c(cnn3C)c2=O)cc1C(=O)[O-]	ZINC001321727424	946441656	/nfs/dbraw/zinc/44/16/56/946441656.db2.gz	KDMBKZGOEVIJKV-UHFFFAOYSA-N	-1	0	300.278	0.347	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)[N-]OC2CCOCC2)c(F)c1	ZINC001322173283	946597488	/nfs/dbraw/zinc/59/74/88/946597488.db2.gz	VFTSJBCNTRRJHP-UHFFFAOYSA-N	-1	0	321.308	0.540	20	30		DCEDRM
C=CC[C@@H](NC(=O)CNC(=O)COc1ccccc1)C(=O)[O-]	ZINC001256551034	946640875	/nfs/dbraw/zinc/64/08/75/946640875.db2.gz	MROCJPJQDCOVRQ-GFCCVEGCSA-N	-1	0	306.318	0.327	20	30		DCEDRM
C=CC[C@H](NC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)[O-]	ZINC001256550602	946641805	/nfs/dbraw/zinc/64/18/05/946641805.db2.gz	JPBOEIFBFNWIPV-CMPLNLGQSA-N	-1	0	304.302	0.922	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(C)c(OCC)c1	ZINC001602679217	971259006	/nfs/dbraw/zinc/25/90/06/971259006.db2.gz	LOSAPTVZCWAOKI-UHFFFAOYSA-N	-1	0	318.329	0.879	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc2c1OCC2	ZINC001602679905	971263680	/nfs/dbraw/zinc/26/36/80/971263680.db2.gz	YZZXRRYLNBZBHK-UHFFFAOYSA-N	-1	0	302.286	0.106	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1	ZINC001602683577	971273846	/nfs/dbraw/zinc/27/38/46/971273846.db2.gz	GDCKRNXDFIMFJK-NEPJUHHUSA-N	-1	0	309.366	0.363	20	30		DCEDRM
Cc1cnn(CCO)c1[N-]S(=O)(=O)c1ccccc1C#N	ZINC001258214386	946812185	/nfs/dbraw/zinc/81/21/85/946812185.db2.gz	CIYWJQNCQVDASW-UHFFFAOYSA-N	-1	0	306.347	0.856	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2cnccc2C(N)=O)c1	ZINC001259118653	946915608	/nfs/dbraw/zinc/91/56/08/946915608.db2.gz	VCSPROUQNLMKPZ-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
COC(=O)c1ccnnc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC001259118786	946916280	/nfs/dbraw/zinc/91/62/80/946916280.db2.gz	QWRGXXVNCVDZPV-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)c1cccnc1	ZINC001259602177	946968979	/nfs/dbraw/zinc/96/89/79/946968979.db2.gz	MARJPNHSAGMNDZ-UHFFFAOYSA-N	-1	0	300.303	0.797	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)N(C)c1ccccc1C(=O)OC	ZINC001602695610	971310261	/nfs/dbraw/zinc/31/02/61/971310261.db2.gz	MGMSAVIPULRDNV-UHFFFAOYSA-N	-1	0	318.329	0.456	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccnc(C#N)c2)cc1	ZINC001260233481	947088315	/nfs/dbraw/zinc/08/83/15/947088315.db2.gz	UOTXDNPQEPNUQD-UHFFFAOYSA-N	-1	0	317.326	0.963	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C(=O)OCC	ZINC001602711913	971351988	/nfs/dbraw/zinc/35/19/88/971351988.db2.gz	AEZMYPJCSMKGMY-SECBINFHSA-N	-1	0	315.713	0.912	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCS(=O)(=O)C2)CC1	ZINC001323963186	947268582	/nfs/dbraw/zinc/26/85/82/947268582.db2.gz	VSNCTKDNJMTMPR-SNVBAGLBSA-N	-1	0	321.420	0.366	20	30		DCEDRM
CC[C@H](NN=Cc1cnc(N2CCN(C)CC2)nc1)C(=O)[O-]	ZINC001324103836	947311653	/nfs/dbraw/zinc/31/16/53/947311653.db2.gz	XYNAFFSJNLLVOF-LBPRGKRZSA-N	-1	0	306.370	0.015	20	30		DCEDRM
CC[C@H](NN=Cc1ccc(OC)c(OCC(N)=O)c1)C(=O)[O-]	ZINC001324143454	947328444	/nfs/dbraw/zinc/32/84/44/947328444.db2.gz	QUHQWMSFLUVEHU-JTQLQIEISA-N	-1	0	309.322	0.346	20	30		DCEDRM
C=CCCOCc1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1	ZINC001602722015	971385749	/nfs/dbraw/zinc/38/57/49/971385749.db2.gz	OSOBNIXPBKKGQJ-UHFFFAOYSA-N	-1	0	322.277	0.176	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001602729037	971399200	/nfs/dbraw/zinc/39/92/00/971399200.db2.gz	ZXYIYQFMZXIYQY-UHFFFAOYSA-N	-1	0	300.380	0.345	20	30		DCEDRM
C=CCn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602730149	971407002	/nfs/dbraw/zinc/40/70/02/971407002.db2.gz	VOIJBANCVWWDRG-SRVKXCTJSA-N	-1	0	321.381	0.113	20	30		DCEDRM
C=CCn1c([C@@H]2CCC(=O)NC2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602730236	971408353	/nfs/dbraw/zinc/40/83/53/971408353.db2.gz	XULFUPMECWFBPJ-MNOVXSKESA-N	-1	0	319.365	0.369	20	30		DCEDRM
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC(=O)[N-]OC	ZINC001262290007	947636450	/nfs/dbraw/zinc/63/64/50/947636450.db2.gz	RWVCPIGLXHMNJZ-ZDUSSCGKSA-N	-1	0	319.361	0.084	20	30		DCEDRM
CC(=Cc1cccnc1)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001573366337	947739868	/nfs/dbraw/zinc/73/98/68/947739868.db2.gz	PISMDIYTZQMLSF-YVMONPNESA-N	-1	0	321.304	0.898	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@H]1CCC[C@H]1C#N	ZINC001262969764	947792940	/nfs/dbraw/zinc/79/29/40/947792940.db2.gz	QFJYWQGEGFNKKA-JQWIXIFHSA-N	-1	0	313.365	0.817	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1CCCO1	ZINC001192939622	948005243	/nfs/dbraw/zinc/00/52/43/948005243.db2.gz	UYQSZFQBJRTMPU-QMMMGPOBSA-N	-1	0	308.323	0.401	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001487776975	948267709	/nfs/dbraw/zinc/26/77/09/948267709.db2.gz	LLOZDYAMQXKYJB-KOLCDFICSA-N	-1	0	322.365	0.039	20	30		DCEDRM
CN(C[C@@H](O)c1cccnc1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001570931038	948830634	/nfs/dbraw/zinc/83/06/34/948830634.db2.gz	KHCZCSYFIHUIJC-LLVKDONJSA-N	-1	0	323.320	0.093	20	30		DCEDRM
C[C@@H](C#N)CN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001602786045	971531293	/nfs/dbraw/zinc/53/12/93/971531293.db2.gz	CPJMJAHUIJKEJU-JQWIXIFHSA-N	-1	0	307.350	0.460	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc(C#N)cn2)C1	ZINC001604496538	1169604349	/nfs/dbraw/zinc/60/43/49/1169604349.db2.gz	PFMOBGSMUOXJCN-CYBMUJFWSA-N	-1	0	309.347	0.829	20	30		DCEDRM
CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCCn2cnc(C#N)n2)C1	ZINC001589594605	949127430	/nfs/dbraw/zinc/12/74/30/949127430.db2.gz	PXBQOOAJPBKJID-CQSZACIVSA-N	-1	0	320.353	0.436	20	30		DCEDRM
N#CC1(CNC(=O)c2c[n-]n3c2nccc3=O)CCOCC1	ZINC001364441716	949303526	/nfs/dbraw/zinc/30/35/26/949303526.db2.gz	CQEPMKQSVRAYNC-UHFFFAOYSA-N	-1	0	301.306	0.073	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC[C@@H](CC)O2)n1	ZINC001489076451	949467039	/nfs/dbraw/zinc/46/70/39/949467039.db2.gz	LQUQHZQXTQUZQH-CHWSQXEVSA-N	-1	0	318.377	0.479	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C2CCOCC2)nn1C	ZINC001329487184	949631958	/nfs/dbraw/zinc/63/19/58/949631958.db2.gz	WCXVQWYPRMXUJL-SNVBAGLBSA-N	-1	0	322.365	0.875	20	30		DCEDRM
CC(C)(C)[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCO1	ZINC001573825887	949894852	/nfs/dbraw/zinc/89/48/52/949894852.db2.gz	CEDNUVROHDJQOM-JTQLQIEISA-N	-1	0	314.353	0.780	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H](CO)c2ncc[nH]2)cc1C#N	ZINC001365019690	950362002	/nfs/dbraw/zinc/36/20/02/950362002.db2.gz	RODNOUDFKWMDKU-VIFPVBQESA-N	-1	0	319.346	0.567	20	30		DCEDRM
C[C@H](C[C@@H](O)c1cccs1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365222667	950762034	/nfs/dbraw/zinc/76/20/34/950762034.db2.gz	DCUQGYVQSBQYFR-PSASIEDQSA-N	-1	0	320.374	0.931	20	30		DCEDRM
Cn1c(=O)[n-]c(N(Cc2ccc(C#N)cc2)C2CC2)c(C#N)c1=O	ZINC001365227063	950770960	/nfs/dbraw/zinc/77/09/60/950770960.db2.gz	WRECVHOLCJKANS-UHFFFAOYSA-N	-1	0	321.340	0.986	20	30		DCEDRM
C#CCCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001280267425	950801058	/nfs/dbraw/zinc/80/10/58/950801058.db2.gz	DDKUVYCNXFDYIS-NXEZZACHSA-N	-1	0	306.366	0.850	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001280345165	950819967	/nfs/dbraw/zinc/81/99/67/950819967.db2.gz	KMGZNRNGPRYNLO-JGVFFNPUSA-N	-1	0	323.353	0.118	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@H]2COCCN2Cc2n[nH]c(=O)[n-]2)C1	ZINC001280415747	950850296	/nfs/dbraw/zinc/85/02/96/950850296.db2.gz	NQZXQHFFLKUELL-NSHDSACASA-N	-1	0	321.381	0.184	20	30		DCEDRM
COC(=O)[C@@H](NCc1cc(=O)n2[n-]cc(C#N)c2n1)C(C)(C)C	ZINC001365322813	950957916	/nfs/dbraw/zinc/95/79/16/950957916.db2.gz	PUCTZNTTWFJBLK-GFCCVEGCSA-N	-1	0	317.349	0.984	20	30		DCEDRM
NC(=O)c1[nH]nc2c1CCN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001274661059	951776143	/nfs/dbraw/zinc/77/61/43/951776143.db2.gz	FHVGDCQXBPJEPT-UHFFFAOYSA-N	-1	0	313.337	0.443	20	30		DCEDRM
O=C([O-])Cn1cccc1C=NNC(=S)NCC(F)(F)F	ZINC001595158392	952179673	/nfs/dbraw/zinc/17/96/73/952179673.db2.gz	LBUCJTAVMOPUFF-UHFFFAOYSA-N	-1	0	308.285	0.933	20	30		DCEDRM
C=CCC[C@@H](NC(=O)C(=O)NCC(=O)[N-]OC)c1ccccc1	ZINC001334835152	952399217	/nfs/dbraw/zinc/39/92/17/952399217.db2.gz	NGAKBHQHYDDXQM-CYBMUJFWSA-N	-1	0	319.361	0.604	20	30		DCEDRM
C[C@@H](CO)N(CC1CCC1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001575180042	952413990	/nfs/dbraw/zinc/41/39/90/952413990.db2.gz	XEJUKPXKMWZVGE-VIFPVBQESA-N	-1	0	314.353	0.516	20	30		DCEDRM
C=CCC[C@@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001334980611	952429515	/nfs/dbraw/zinc/42/95/15/952429515.db2.gz	XDFONVCDQUMWBR-WCQYABFASA-N	-1	0	321.381	0.717	20	30		DCEDRM
CO[C@H]1CCC[C@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001411953048	952567242	/nfs/dbraw/zinc/56/72/42/952567242.db2.gz	OREYPXLAPGGFRZ-JQWIXIFHSA-N	-1	0	320.349	0.142	20	30		DCEDRM
N#CCc1ccc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)cc1	ZINC001412289986	952733877	/nfs/dbraw/zinc/73/38/77/952733877.db2.gz	VMGQZBBBOHNWNV-UHFFFAOYSA-N	-1	0	315.333	0.852	20	30		DCEDRM
C/C(=C(/F)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C1CC1	ZINC001337608901	952886105	/nfs/dbraw/zinc/88/61/05/952886105.db2.gz	GITWXGLAJKNVCT-WQLSENKSSA-N	-1	0	318.308	0.857	20	30		DCEDRM
CC[C@H]1COCCN1CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412562934	952900752	/nfs/dbraw/zinc/90/07/52/952900752.db2.gz	VEMFCCXZKMSVJY-ZDUSSCGKSA-N	-1	0	318.377	0.808	20	30		DCEDRM
CC[C@H]1CO[C@H](C)CN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412584591	952913365	/nfs/dbraw/zinc/91/33/65/952913365.db2.gz	MPUSMWHDALKFOB-PWSUYJOCSA-N	-1	0	320.349	0.237	20	30		DCEDRM
C=CC[C@@H](NC(=O)CN1c2ccccc2O[C@H](C)C1=O)C(=O)[O-]	ZINC001339865054	953126202	/nfs/dbraw/zinc/12/62/02/953126202.db2.gz	LIRNDXICDVPVER-GHMZBOCLSA-N	-1	0	318.329	0.946	20	30		DCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N1CCC=C(C)C1	ZINC001340359080	953164270	/nfs/dbraw/zinc/16/42/70/953164270.db2.gz	PUIBETCFFMLRLU-UHFFFAOYSA-N	-1	0	300.370	0.919	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCOC2(CCC2)C1	ZINC001340560239	953178178	/nfs/dbraw/zinc/17/81/78/953178178.db2.gz	FKKXMNLZTHNHHF-UHFFFAOYSA-N	-1	0	316.365	0.447	20	30		DCEDRM
C=CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001341348874	953224580	/nfs/dbraw/zinc/22/45/80/953224580.db2.gz	LHEWLTGYWASWKW-GHMZBOCLSA-N	-1	0	322.365	0.082	20	30		DCEDRM
C[C@H](Sc1nncn1C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC001342557401	953294812	/nfs/dbraw/zinc/29/48/12/953294812.db2.gz	GIOSGBASWKVYOS-IUCAKERBSA-N	-1	0	318.362	0.621	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(-n2ccnc2)nc1	ZINC001342595209	953297371	/nfs/dbraw/zinc/29/73/71/953297371.db2.gz	INXTZGDBVNSEQF-GFCCVEGCSA-N	-1	0	313.317	0.352	20	30		DCEDRM
CC(=O)N1CCC[C@@H](C(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC001342644831	953299787	/nfs/dbraw/zinc/29/97/87/953299787.db2.gz	YPJZKONOWRNXHZ-VXGBXAGGSA-N	-1	0	302.334	0.570	20	30		DCEDRM
Cn1nc(C([O-])=C(C#N)C(=O)NC2CC2)cc1Br	ZINC001342721708	953304644	/nfs/dbraw/zinc/30/46/44/953304644.db2.gz	HPGKDUBBTHRZBN-ZETCQYMHSA-N	-1	0	311.139	0.784	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)Nc1ccc(OCC#N)cc1	ZINC001342894553	953313251	/nfs/dbraw/zinc/31/32/51/953313251.db2.gz	SIPKZFFXSLHGHI-UHFFFAOYSA-N	-1	0	307.306	0.612	20	30		DCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@H]1CCCO1	ZINC001343281671	953334290	/nfs/dbraw/zinc/33/42/90/953334290.db2.gz	CYNNDFBIXDCRKG-GHMZBOCLSA-N	-1	0	316.365	0.139	20	30		DCEDRM
CCOc1ccc(C([O-])=C(C#N)C(=O)NCCCOC)cn1	ZINC001343355496	953340288	/nfs/dbraw/zinc/34/02/88/953340288.db2.gz	RCKSOZGJPMTWOL-LBPRGKRZSA-N	-1	0	305.334	0.955	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCc2ncncc2C1	ZINC001343386968	953342828	/nfs/dbraw/zinc/34/28/28/953342828.db2.gz	OZUGVDDLGXNZOI-ZYHUDNBSSA-N	-1	0	309.329	0.907	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn2ccncc12	ZINC001343469780	953347520	/nfs/dbraw/zinc/34/75/20/953347520.db2.gz	IHRGPAHQSTYILH-JTQLQIEISA-N	-1	0	301.306	0.204	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc(CC)n(C)n1	ZINC001343463905	953348076	/nfs/dbraw/zinc/34/80/76/953348076.db2.gz	SNZBVHMYRBVXMV-LBPRGKRZSA-N	-1	0	306.366	0.848	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1	ZINC001589281098	953515543	/nfs/dbraw/zinc/51/55/43/953515543.db2.gz	QTWDTXIHOQKKQA-NXEZZACHSA-N	-1	0	315.333	0.849	20	30		DCEDRM
CCn1c(NC(=O)[C@H](OC)C(=O)[O-])nc2cc(C#N)ccc21	ZINC001593663160	953810934	/nfs/dbraw/zinc/81/09/34/953810934.db2.gz	FWLLYCJMSDWUOR-NSHDSACASA-N	-1	0	302.290	0.966	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C	ZINC001346208292	953822955	/nfs/dbraw/zinc/82/29/55/953822955.db2.gz	OUORLZWLOAJGIY-ONGXEEELSA-N	-1	0	308.338	0.832	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)nn1C	ZINC001346227528	953827906	/nfs/dbraw/zinc/82/79/06/953827906.db2.gz	AGKFNMSAQGLPMS-ZETCQYMHSA-N	-1	0	318.255	0.524	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)CCCCC#N)cc1C(N)=O	ZINC001346461827	953896929	/nfs/dbraw/zinc/89/69/29/953896929.db2.gz	GKDQSYUHXGUDCG-UHFFFAOYSA-N	-1	0	312.351	0.013	20	30		DCEDRM
CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cn1	ZINC001347121494	954025911	/nfs/dbraw/zinc/02/59/11/954025911.db2.gz	CNVBFXFZRCPENC-SNVBAGLBSA-N	-1	0	311.301	0.380	20	30		DCEDRM
CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cn1	ZINC001347121493	954026256	/nfs/dbraw/zinc/02/62/56/954026256.db2.gz	CNVBFXFZRCPENC-JTQLQIEISA-N	-1	0	311.301	0.380	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)nn1	ZINC001348501020	954332500	/nfs/dbraw/zinc/33/25/00/954332500.db2.gz	FNXNMVHVUCAXNL-LBPRGKRZSA-N	-1	0	321.381	0.475	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC001349110046	954605481	/nfs/dbraw/zinc/60/54/81/954605481.db2.gz	PZWWKDGNHRPLFW-RYUDHWBXSA-N	-1	0	318.395	0.305	20	30		DCEDRM
C=CC[C@H](NC(=O)N[C@@H](COC)[C@H]1CCCOC1)C(=O)[O-]	ZINC001350694294	955168184	/nfs/dbraw/zinc/16/81/84/955168184.db2.gz	YMMIEYATUGRGBE-SRVKXCTJSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(=O)[N-]OCC	ZINC001350878538	955212144	/nfs/dbraw/zinc/21/21/44/955212144.db2.gz	PMQCYTVNFSPIRR-RYUDHWBXSA-N	-1	0	311.382	0.421	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)cn1	ZINC001352143210	955526938	/nfs/dbraw/zinc/52/69/38/955526938.db2.gz	QDGPFPLGKWKGEB-LBPRGKRZSA-N	-1	0	308.359	0.879	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001285337935	955583902	/nfs/dbraw/zinc/58/39/02/955583902.db2.gz	MSAQJHLABWUNDX-UWVGGRQHSA-N	-1	0	324.381	0.639	20	30		DCEDRM
N#CC1CCN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1	ZINC001594606550	956185369	/nfs/dbraw/zinc/18/53/69/956185369.db2.gz	ZUBBQCJFYPIJRU-LBPRGKRZSA-N	-1	0	322.365	0.397	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2cccc(CO)c2)c(=O)[n-]c1=O	ZINC001463585264	1013144067	/nfs/dbraw/zinc/14/40/67/1013144067.db2.gz	AHZYOLAMMFJPQW-UHFFFAOYSA-N	-1	0	314.301	0.342	20	30		DCEDRM
N#CCOc1cccc(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)c1	ZINC001594609548	956193671	/nfs/dbraw/zinc/19/36/71/956193671.db2.gz	DGMCCGMEDQDPSC-OAHLLOKOSA-N	-1	0	304.302	0.839	20	30		DCEDRM
C=CCN(Cc1cccc(C(=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1	ZINC001353896938	956225858	/nfs/dbraw/zinc/22/58/58/956225858.db2.gz	QQVOKKMMAIEVBO-GFCCVEGCSA-N	-1	0	310.375	0.955	20	30		DCEDRM
C/C(=C/C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C1CC1	ZINC001353931865	956232216	/nfs/dbraw/zinc/23/22/16/956232216.db2.gz	HNKZINCTQKQWDR-WTKPLQERSA-N	-1	0	300.318	0.560	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)NC2(C(=O)[O-])CCOCC2)cc1	ZINC001594617733	956253975	/nfs/dbraw/zinc/25/39/75/956253975.db2.gz	JOTWTEVISFILKM-GFCCVEGCSA-N	-1	0	304.302	0.342	20	30		DCEDRM
N#Cc1ccc([C@H]2CN(CC(=O)NCC(=O)[O-])CCO2)cc1	ZINC001594618411	956263718	/nfs/dbraw/zinc/26/37/18/956263718.db2.gz	NHWRGJLRHVUPOH-CYBMUJFWSA-N	-1	0	303.318	0.132	20	30		DCEDRM
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCN(C(=O)CC#N)CC1	ZINC001589200834	956633613	/nfs/dbraw/zinc/63/36/13/956633613.db2.gz	FDXAHQCQOYKHHZ-UHFFFAOYSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C[C@@H](CC#N)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001603119381	972201226	/nfs/dbraw/zinc/20/12/26/972201226.db2.gz	XELICHYCHDRXQM-QWRGUYRKSA-N	-1	0	307.350	0.460	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)C(=O)OC	ZINC001463595967	1013147974	/nfs/dbraw/zinc/14/79/74/1013147974.db2.gz	AJSQTQYBZCQXPD-JTQLQIEISA-N	-1	0	304.368	0.200	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)C1	ZINC001593976069	956664909	/nfs/dbraw/zinc/66/49/09/956664909.db2.gz	URIVKMNOBMENRC-AWEZNQCLSA-N	-1	0	320.305	0.976	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(OC)CC1	ZINC001356038490	956765935	/nfs/dbraw/zinc/76/59/35/956765935.db2.gz	RPONRLDRAPMYHT-UHFFFAOYSA-N	-1	0	304.354	0.303	20	30		DCEDRM
COCCN(CC(=O)[O-])C(=O)Cc1cccc(OCC#N)c1	ZINC001593996991	956903136	/nfs/dbraw/zinc/90/31/36/956903136.db2.gz	UWPNVCKUGVJYFC-UHFFFAOYSA-N	-1	0	306.318	0.691	20	30		DCEDRM
COc1cccc([C@@H](C#N)NC(=O)CCc2nnn[n-]2)c1OC	ZINC001293084239	957262450	/nfs/dbraw/zinc/26/24/50/957262450.db2.gz	QWJQNUFDFOKYTP-SNVBAGLBSA-N	-1	0	316.321	0.531	20	30		DCEDRM
N#Cc1ccc(NC(=O)NCC(=O)NCC(=O)[O-])cc1Cl	ZINC000040560460	957375379	/nfs/dbraw/zinc/37/53/79/957375379.db2.gz	JIQUTDGFQDYDFR-UHFFFAOYSA-N	-1	0	310.697	0.534	20	30		DCEDRM
COC(=O)[C@@H](NCc1cc(=O)n2[n-]cc(C#N)c2n1)C(C)C	ZINC001413983310	957472527	/nfs/dbraw/zinc/47/25/27/957472527.db2.gz	QKMHIXSNDLSVQC-LBPRGKRZSA-N	-1	0	303.322	0.594	20	30		DCEDRM
CC[C@@H](NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001413898567	957495304	/nfs/dbraw/zinc/49/53/04/957495304.db2.gz	RHPOGLHDFRRFND-LLVKDONJSA-N	-1	0	305.338	0.308	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1	ZINC001594274115	957702789	/nfs/dbraw/zinc/70/27/89/957702789.db2.gz	RMMKQUBSSDIJLE-NSHDSACASA-N	-1	0	316.317	0.523	20	30		DCEDRM
CON=CC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001594042494	957888672	/nfs/dbraw/zinc/88/86/72/957888672.db2.gz	NYYPYHVGIMJRKV-WCQYABFASA-N	-1	0	319.317	0.162	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1	ZINC001588388919	958001924	/nfs/dbraw/zinc/00/19/24/958001924.db2.gz	IKCRHCKQVJIFEY-STQMWFEESA-N	-1	0	321.377	0.507	20	30		DCEDRM
C#CCCC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001588390861	958015921	/nfs/dbraw/zinc/01/59/21/958015921.db2.gz	PEEHZLQYXZMJES-NXEZZACHSA-N	-1	0	306.284	0.996	20	30		DCEDRM
C#CCN(CC(=O)N1CC[C@@H](C(=O)[O-])C1)C(=O)OC(C)(C)C	ZINC001588396478	958049332	/nfs/dbraw/zinc/04/93/32/958049332.db2.gz	ZQPKZYVLGWIXBQ-LLVKDONJSA-N	-1	0	310.350	0.790	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCc2ccccc2F)c(=O)[n-]c1=O	ZINC001361589997	958113097	/nfs/dbraw/zinc/11/30/97/958113097.db2.gz	QHSBMXRWNFBPQK-UHFFFAOYSA-N	-1	0	316.292	0.319	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc2c(=O)cc[nH]c2c1	ZINC001588408892	958119821	/nfs/dbraw/zinc/11/98/21/958119821.db2.gz	KMCWEOSGOSYXIL-UHFFFAOYSA-N	-1	0	313.313	0.758	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(C)cc(S(C)(=O)=O)c1	ZINC001588411224	958147573	/nfs/dbraw/zinc/14/75/73/958147573.db2.gz	RXSOHRZSVGREQT-UHFFFAOYSA-N	-1	0	324.358	0.950	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001297137409	958152771	/nfs/dbraw/zinc/15/27/71/958152771.db2.gz	KHUGLLXXDRGXIH-CMPLNLGQSA-N	-1	0	310.354	0.567	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc2c1O[C@@H](C)C(=O)N2	ZINC001588418613	958181906	/nfs/dbraw/zinc/18/19/06/958181906.db2.gz	AKMZCFXQJQKXNS-VIFPVBQESA-N	-1	0	302.286	0.566	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)N1CCc2ccccc2C1	ZINC001588420207	958201841	/nfs/dbraw/zinc/20/18/41/958201841.db2.gz	QJOXDSDWOWQOGU-ZDUSSCGKSA-N	-1	0	300.358	0.980	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)CC(=O)[O-]	ZINC001594074997	958211130	/nfs/dbraw/zinc/21/11/30/958211130.db2.gz	JIBJFLVBRDGRCQ-QMMMGPOBSA-N	-1	0	305.290	0.485	20	30		DCEDRM
C#CCN(CC(=O)[O-])Cc1ccccc1OCC(=O)N(C)C	ZINC001588424611	958217847	/nfs/dbraw/zinc/21/78/47/958217847.db2.gz	UEUHGTJFBJZGFM-UHFFFAOYSA-N	-1	0	304.346	0.673	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2C[C@@H]3C[C@H](O)[C@@H]3C2)n1CC	ZINC001588426764	958233420	/nfs/dbraw/zinc/23/34/20/958233420.db2.gz	BGYDGXNFHYUCFA-XQHKEYJVSA-N	-1	0	318.377	0.697	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2(O)CCC2)n1CC(C)C	ZINC001588427166	958241014	/nfs/dbraw/zinc/24/10/14/958241014.db2.gz	OZUWIGFEPLAGFK-UHFFFAOYSA-N	-1	0	306.366	0.830	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCC[C@@H](CO)C2)n1C	ZINC001588427308	958243144	/nfs/dbraw/zinc/24/31/44/958243144.db2.gz	SPFUKLDAGUMUIR-VXGBXAGGSA-N	-1	0	306.366	0.605	20	30		DCEDRM
C#CC[NH+]1CCC(NC(=O)Nc2cccnc2C(=O)[O-])CC1	ZINC001588431176	958266491	/nfs/dbraw/zinc/26/64/91/958266491.db2.gz	UFTFGKLILLVEPM-UHFFFAOYSA-N	-1	0	302.334	0.999	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCc1ccccc1COC	ZINC001573319390	958472220	/nfs/dbraw/zinc/47/22/20/958472220.db2.gz	CJKUHDPJRBIXBA-UHFFFAOYSA-N	-1	0	304.346	0.469	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001588465637	958506532	/nfs/dbraw/zinc/50/65/32/958506532.db2.gz	VSPPWQMOPARCDF-RTHLEPHNSA-N	-1	0	312.322	0.431	20	30		DCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588471933	958538701	/nfs/dbraw/zinc/53/87/01/958538701.db2.gz	GVKIDIBNJJQPAA-XHDPSFHLSA-N	-1	0	324.381	0.315	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](N2CCCC2=O)CC1	ZINC001573359625	958585762	/nfs/dbraw/zinc/58/57/62/958585762.db2.gz	FHRFSRFKPJZDAR-LRDDRELGSA-N	-1	0	321.377	0.994	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC001362092875	958721719	/nfs/dbraw/zinc/72/17/19/958721719.db2.gz	WPHPWAPKRUBNHI-GFCCVEGCSA-N	-1	0	314.305	0.294	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1ccc(F)c(C#N)c1)[C@H](C)C(=O)[O-]	ZINC001588508224	958748099	/nfs/dbraw/zinc/74/80/99/958748099.db2.gz	FSEDEQPMUCXATJ-SECBINFHSA-N	-1	0	321.308	0.749	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN1CCOC(C)(C)C1	ZINC001362115286	958763209	/nfs/dbraw/zinc/76/32/09/958763209.db2.gz	ZUTAABAXAOKWER-UHFFFAOYSA-N	-1	0	318.377	0.808	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1	ZINC001588534551	958923089	/nfs/dbraw/zinc/92/30/89/958923089.db2.gz	KCSZIMKJLSXFCM-CLAHSXSESA-N	-1	0	320.305	0.208	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](C(=O)NC2CC2)C1	ZINC001588536457	958935016	/nfs/dbraw/zinc/93/50/16/958935016.db2.gz	YDDOYRXQRQMADU-BONVTDFDSA-N	-1	0	307.350	0.508	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2ccnc(N)n2)C1	ZINC001588538481	958941240	/nfs/dbraw/zinc/94/12/40/958941240.db2.gz	ISXILDCQKGODLV-ZUZCIYMTSA-N	-1	0	317.349	0.769	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC[C@@H]1c1ncon1	ZINC001362228272	958964421	/nfs/dbraw/zinc/96/44/21/958964421.db2.gz	XVWFBZJYGLDRSC-SNVBAGLBSA-N	-1	0	315.289	0.564	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)C1(CC(=O)[O-])CCC1)C1CC1	ZINC001588543927	958985610	/nfs/dbraw/zinc/98/56/10/958985610.db2.gz	WIPVFWBBFSJTLV-CQSZACIVSA-N	-1	0	308.334	0.983	20	30		DCEDRM
CC(C)(C)N1C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1=O	ZINC001588558381	959086661	/nfs/dbraw/zinc/08/66/61/959086661.db2.gz	ROIGGJSDKHFPFX-BONVTDFDSA-N	-1	0	309.366	0.754	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)Cc1ccc(F)cc1	ZINC001588558503	959088282	/nfs/dbraw/zinc/08/82/82/959088282.db2.gz	XIOPESALQJGFOR-IUODEOHRSA-N	-1	0	308.309	0.850	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccccc1C(=O)OC)C(=O)[O-]	ZINC000159582264	959121198	/nfs/dbraw/zinc/12/11/98/959121198.db2.gz	IGNGDQUQCBZDFG-SNVBAGLBSA-N	-1	0	311.315	0.228	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC001588566103	959148589	/nfs/dbraw/zinc/14/85/89/959148589.db2.gz	TWACVUKSUGFFBF-JSGCOSHPSA-N	-1	0	301.346	0.944	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H]2C[C@H]2C2CCCCC2)c(=O)[n-]c1=O	ZINC001362335698	959167460	/nfs/dbraw/zinc/16/74/60/959167460.db2.gz	NZIWUJQRPFNQQP-STQMWFEESA-N	-1	0	316.361	0.906	20	30		DCEDRM
Cc1ncsc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362352227	959194524	/nfs/dbraw/zinc/19/45/24/959194524.db2.gz	MAACYEPQYKGFTA-UHFFFAOYSA-N	-1	0	305.319	0.614	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](C)O[C@]2(CCOC2)C1	ZINC001362437155	959356800	/nfs/dbraw/zinc/35/68/00/959356800.db2.gz	GPOAGIGINLFWCB-MEDUHNTESA-N	-1	0	317.345	0.987	20	30		DCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC001594223934	959406316	/nfs/dbraw/zinc/40/63/16/959406316.db2.gz	XKINQMXQTYPLGW-BZNIZROVSA-N	-1	0	314.345	0.713	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC[C@]1(O)CCCOC1	ZINC001362632331	959734256	/nfs/dbraw/zinc/73/42/56/959734256.db2.gz	UVNOAUFESULEND-OAHLLOKOSA-N	-1	0	305.334	0.629	20	30		DCEDRM
Cc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c(F)c1	ZINC001362686968	959829563	/nfs/dbraw/zinc/82/95/63/959829563.db2.gz	FHKJLQOKJGEQQN-UHFFFAOYSA-N	-1	0	316.292	0.698	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1CCCN(C(N)=O)C1	ZINC001362688481	959833327	/nfs/dbraw/zinc/83/33/27/959833327.db2.gz	OBTYZQPCHFLJJR-JTQLQIEISA-N	-1	0	317.349	0.488	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NCC(=O)[O-])cc1Br	ZINC000228162161	959996804	/nfs/dbraw/zinc/99/68/04/959996804.db2.gz	QWAJRRYEUHQXLM-UHFFFAOYSA-N	-1	0	312.123	0.933	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001301815485	960010773	/nfs/dbraw/zinc/01/07/73/960010773.db2.gz	SRXZRSYPLKJFRW-LBPRGKRZSA-N	-1	0	314.349	0.233	20	30		DCEDRM
CCC(NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)(C1CC1)C1CC1	ZINC001362961753	960231553	/nfs/dbraw/zinc/23/15/53/960231553.db2.gz	TZUYXOYKNQKUAV-UHFFFAOYSA-N	-1	0	316.361	0.906	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H](O)Cc2ccc(F)cc2)c(C#N)c1=O	ZINC001363163848	960514272	/nfs/dbraw/zinc/51/42/72/960514272.db2.gz	XFJACNCMWULMDG-LLVKDONJSA-N	-1	0	318.308	0.100	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000236436400	960599566	/nfs/dbraw/zinc/59/95/66/960599566.db2.gz	UQGQIQMRDCIYLF-LLVKDONJSA-N	-1	0	313.360	0.192	20	30		DCEDRM
C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)[O-]	ZINC001574288300	960667658	/nfs/dbraw/zinc/66/76/58/960667658.db2.gz	NYCBDEYAINGCDL-ZETCQYMHSA-N	-1	0	314.294	0.326	20	30		DCEDRM
COC1(C)CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001363338977	960932177	/nfs/dbraw/zinc/93/21/77/960932177.db2.gz	SMZFFRIRYQTZGV-UHFFFAOYSA-N	-1	0	320.349	0.238	20	30		DCEDRM
Cc1c(C(=O)Nc2cc(C(=O)[O-])n(C)n2)cnn1CCC#N	ZINC001571077288	960968185	/nfs/dbraw/zinc/96/81/85/960968185.db2.gz	ZHYQHLIDMCSXLR-UHFFFAOYSA-N	-1	0	302.294	0.789	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001571080480	960998899	/nfs/dbraw/zinc/99/88/99/960998899.db2.gz	WWXZUXRHGGMVES-AWEZNQCLSA-N	-1	0	303.274	0.905	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)nc1	ZINC001571103206	961256455	/nfs/dbraw/zinc/25/64/55/961256455.db2.gz	YMESJTLCEMIVCI-KOLCDFICSA-N	-1	0	309.347	0.875	20	30		DCEDRM
N#Cc1ccc(OCC(=O)NCc2nc([O-])cc(=O)[nH]2)cc1	ZINC001363489507	961264873	/nfs/dbraw/zinc/26/48/73/961264873.db2.gz	LGQRIHVTEXQERP-UHFFFAOYSA-N	-1	0	300.274	0.455	20	30		DCEDRM
N#Cc1cnn(-c2ccc(C(=O)N3CC[C@H]3C(=O)[O-])cc2)c1N	ZINC001571111667	961337078	/nfs/dbraw/zinc/33/70/78/961337078.db2.gz	OQTXHORYBBOXAH-LBPRGKRZSA-N	-1	0	311.301	0.625	20	30		DCEDRM
Cc1nsc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c1C#N	ZINC001574443662	961428278	/nfs/dbraw/zinc/42/82/78/961428278.db2.gz	BBYPVQNTMXRSJE-QMMMGPOBSA-N	-1	0	322.346	0.585	20	30		DCEDRM
Cc1cc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)ncc1C#N	ZINC001363579177	961482110	/nfs/dbraw/zinc/48/21/10/961482110.db2.gz	CGNPLTMSHSWFIA-NSHDSACASA-N	-1	0	311.349	0.870	20	30		DCEDRM
Cn1cc([C@]2(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCCO2)cn1	ZINC001574454850	961502171	/nfs/dbraw/zinc/50/21/71/961502171.db2.gz	SBOAWAAYFISLRB-HUUCEWRRSA-N	-1	0	320.349	0.547	20	30		DCEDRM
CO[C@@H]1CC[C@@H](C)N(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001363593966	961516297	/nfs/dbraw/zinc/51/62/97/961516297.db2.gz	LFBKQZGQLKBZOL-ZYHUDNBSSA-N	-1	0	320.349	0.237	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1C[C@@H](CNc2ncc(C(=O)[O-])cn2)[C@H](C)C1	ZINC001571133779	961602027	/nfs/dbraw/zinc/60/20/27/961602027.db2.gz	WRNUWJYITHLWAP-HOSYDEDBSA-N	-1	0	317.349	0.841	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)Nc2ccc(C#N)cn2)C[C@H]1C(=O)[O-]	ZINC001571138186	961634287	/nfs/dbraw/zinc/63/42/87/961634287.db2.gz	RMJMDJCPIJIRCW-ZJUUUORDSA-N	-1	0	318.289	0.291	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1	ZINC001574485094	961674295	/nfs/dbraw/zinc/67/42/95/961674295.db2.gz	BGJDWPSRMKTMJT-ZENOOKHLSA-N	-1	0	316.313	0.151	20	30		DCEDRM
N#Cc1ccc(C(=O)NCCOCCOCC(=O)[O-])cc1O	ZINC001574485635	961678220	/nfs/dbraw/zinc/67/82/20/961678220.db2.gz	JGWHXJMOOQNTMD-UHFFFAOYSA-N	-1	0	308.290	0.111	20	30		DCEDRM
Cc1c(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cnn1CCC#N	ZINC001571146469	961753153	/nfs/dbraw/zinc/75/31/53/961753153.db2.gz	YYXUQLIBYDMUOE-ZDUSSCGKSA-N	-1	0	320.349	0.403	20	30		DCEDRM
CC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC(F)(F)C1	ZINC001363774005	961852692	/nfs/dbraw/zinc/85/26/92/961852692.db2.gz	RSPFIULNQUUXTJ-UHFFFAOYSA-N	-1	0	312.276	0.372	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCC[C@@H](OCCO)C1)cc2=O	ZINC001363782205	961869997	/nfs/dbraw/zinc/86/99/97/961869997.db2.gz	FYPBJDVARQZNTC-CYBMUJFWSA-N	-1	0	317.349	0.280	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2C[C@H]3CCCC[C@H]32)c(=O)[n-]c1=O	ZINC001363826965	961972305	/nfs/dbraw/zinc/97/23/05/961972305.db2.gz	VUQXFDXIVJLFMY-ZYHUDNBSSA-N	-1	0	302.334	0.612	20	30		DCEDRM
COc1ncc(NC(=O)CSc2n[nH]c(=O)[n-]2)cc1C#N	ZINC001363966723	962206642	/nfs/dbraw/zinc/20/66/42/962206642.db2.gz	JCBUXDQYIIAPCD-UHFFFAOYSA-N	-1	0	306.307	0.516	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1	ZINC001364006320	962276235	/nfs/dbraw/zinc/27/62/35/962276235.db2.gz	AMDVUOSLQTWURZ-LBPRGKRZSA-N	-1	0	300.311	0.570	20	30		DCEDRM
COC(=O)c1oc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc1C	ZINC001574097343	962375851	/nfs/dbraw/zinc/37/58/51/962375851.db2.gz	LHJDSTKWLOQUNH-AWEZNQCLSA-N	-1	0	308.290	0.995	20	30		DCEDRM
COc1cccc([C@H](O)CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001364142925	962549388	/nfs/dbraw/zinc/54/93/88/962549388.db2.gz	ADAFLIXAEJBLSE-GFCCVEGCSA-N	-1	0	316.317	0.099	20	30		DCEDRM
C#CCN(C(=O)[C@@H](C)CC)C1CCN(C(=O)CNC(=O)[O-])CC1	ZINC001573302217	962646517	/nfs/dbraw/zinc/64/65/17/962646517.db2.gz	RYQRUAHSKCAEJK-LBPRGKRZSA-N	-1	0	323.393	0.753	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CNC(=O)[O-]	ZINC001573302559	962655307	/nfs/dbraw/zinc/65/53/07/962655307.db2.gz	CKFRLHKYISHNRQ-QWHCGFSZSA-N	-1	0	321.377	0.649	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CNC(=O)[O-]	ZINC001573302560	962655522	/nfs/dbraw/zinc/65/55/22/962655522.db2.gz	CKFRLHKYISHNRQ-STQMWFEESA-N	-1	0	321.377	0.649	20	30		DCEDRM
C#CCCCC(=O)NCC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573302845	962663183	/nfs/dbraw/zinc/66/31/83/962663183.db2.gz	GTBLFMSJSOGLQJ-KGLIPLIRSA-N	-1	0	320.389	0.865	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC001573302914	962664094	/nfs/dbraw/zinc/66/40/94/962664094.db2.gz	RYVSIEGLCLCAPN-SECBINFHSA-N	-1	0	313.331	0.056	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(N2CCOC2=O)cc1)C(=O)[O-]	ZINC001573302919	962666551	/nfs/dbraw/zinc/66/65/51/962666551.db2.gz	HMOYAGNDUUNEOD-LBPRGKRZSA-N	-1	0	302.286	0.850	20	30		DCEDRM
C#CCCCC(=O)NC[C@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001573302929	962666818	/nfs/dbraw/zinc/66/68/18/962666818.db2.gz	HPMSHYCLFWJMJJ-LLVKDONJSA-N	-1	0	304.350	0.564	20	30		DCEDRM
C#CCC1(C(=O)N(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001573303772	962681367	/nfs/dbraw/zinc/68/13/67/962681367.db2.gz	SLFHYUQHRZTIIK-NEPJUHHUSA-N	-1	0	306.362	0.475	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])nc1	ZINC001573311932	962717887	/nfs/dbraw/zinc/71/78/87/962717887.db2.gz	KFVMADFVINXZOP-LBPRGKRZSA-N	-1	0	301.327	0.945	20	30		DCEDRM
C=C(Br)CN1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573313404	962729691	/nfs/dbraw/zinc/72/96/91/962729691.db2.gz	HCEHWPUBNMEGBR-UWVGGRQHSA-N	-1	0	317.183	0.758	20	30		DCEDRM
C=C(Br)CN1CCN(C(=O)CNC(=O)[O-])CC1	ZINC001573313433	962730410	/nfs/dbraw/zinc/73/04/10/962730410.db2.gz	IORDOJWSIWPTNV-UHFFFAOYSA-N	-1	0	306.160	0.307	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)OCC	ZINC001573338438	962873416	/nfs/dbraw/zinc/87/34/16/962873416.db2.gz	AWMUYVLZVYRASY-BBBLOLIVSA-N	-1	0	319.741	0.809	20	30		DCEDRM
C=C(Cl)CN1CC[C@@]2(CCN(C(=O)CNC(=O)[O-])C2)C1	ZINC001573339006	962884637	/nfs/dbraw/zinc/88/46/37/962884637.db2.gz	MNDRPFWUTFDXGZ-CYBMUJFWSA-N	-1	0	301.774	0.931	20	30		DCEDRM
C=C(Cl)CN1CCN(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573343445	962903853	/nfs/dbraw/zinc/90/38/53/962903853.db2.gz	DQLRKQUBKSZHHS-NEPJUHHUSA-N	-1	0	315.801	0.193	20	30		DCEDRM
C=C1CC(C)(C(=O)N2CC3(C2)CCN(C(=O)CNC(=O)[O-])C3)C1	ZINC001573343863	962909736	/nfs/dbraw/zinc/90/97/36/962909736.db2.gz	KHCZJOMPKJIQMM-UHFFFAOYSA-N	-1	0	321.377	0.671	20	30		DCEDRM
C=CCCC(=O)N(C)C[C@H](O)CN(C)c1ncc(C(=O)[O-])cn1	ZINC001573352849	962993420	/nfs/dbraw/zinc/99/34/20/962993420.db2.gz	LFBQKIHUCYNTPE-LBPRGKRZSA-N	-1	0	322.365	0.397	20	30		DCEDRM
C=CCCC(=O)N(C)C[C@@H](O)CN(C)c1ncc(C(=O)[O-])cn1	ZINC001573352848	962993538	/nfs/dbraw/zinc/99/35/38/962993538.db2.gz	LFBQKIHUCYNTPE-GFCCVEGCSA-N	-1	0	322.365	0.397	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)C(=O)OCC	ZINC001573357609	963017400	/nfs/dbraw/zinc/01/74/00/963017400.db2.gz	PDVQSCOSOYNNBR-SNVBAGLBSA-N	-1	0	319.379	0.669	20	30		DCEDRM
C=CCOCC(=O)NC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573368441	963080027	/nfs/dbraw/zinc/08/00/27/963080027.db2.gz	FARLFPOEMNBGND-RYUDHWBXSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C[C@@](CO)(NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000313506887	963651085	/nfs/dbraw/zinc/65/10/85/963651085.db2.gz	NYKWLUJMDBJJMN-NSHDSACASA-N	-1	0	318.738	0.326	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588435368	964021026	/nfs/dbraw/zinc/02/10/26/964021026.db2.gz	NKUXNGRNBXRNMY-SRVKXCTJSA-N	-1	0	303.380	0.324	20	30		DCEDRM
C#CCCCCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588440555	964039412	/nfs/dbraw/zinc/03/94/12/964039412.db2.gz	ZVVAZDJJRFEPBE-LBPRGKRZSA-N	-1	0	316.361	0.803	20	30		DCEDRM
C#CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@@H](OC)C1	ZINC001588447346	964085882	/nfs/dbraw/zinc/08/58/82/964085882.db2.gz	WLWROHDEAHCYEZ-UPJWGTAASA-N	-1	0	317.407	0.978	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000316353588	967978951	/nfs/dbraw/zinc/97/89/51/967978951.db2.gz	JJPLQXWIWXGYAK-UHFFFAOYSA-N	-1	0	324.358	0.097	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000320147788	970621612	/nfs/dbraw/zinc/62/16/12/970621612.db2.gz	CJWHJHMCMKWWLY-VIFPVBQESA-N	-1	0	303.311	0.739	20	30		DCEDRM
C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001610068665	970656176	/nfs/dbraw/zinc/65/61/76/970656176.db2.gz	WRVTYYFILIBCHK-XUJVJEKNSA-N	-1	0	309.366	0.313	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(c1c(C#N)cnn1C)C[C@H]2C(=O)[O-]	ZINC001604289404	972885261	/nfs/dbraw/zinc/88/52/61/972885261.db2.gz	HTHKHLJJLDHTEI-UQACVICXSA-N	-1	0	318.333	0.382	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1	ZINC000401900387	973506241	/nfs/dbraw/zinc/50/62/41/973506241.db2.gz	PZJAKGGLVJTQDL-VXGBXAGGSA-N	-1	0	324.358	0.209	20	30		DCEDRM
N#C[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C1CCCC1	ZINC001605576717	973851296	/nfs/dbraw/zinc/85/12/96/973851296.db2.gz	SHZJOHGYWVVNCX-GFCCVEGCSA-N	-1	0	303.318	0.745	20	30		DCEDRM
N#Cc1ccc(OC2CN(C(=O)c3cc(C(=O)[O-])n[nH]3)C2)cc1	ZINC001605612714	973928439	/nfs/dbraw/zinc/92/84/39/973928439.db2.gz	UQABNRYOJOUUMM-UHFFFAOYSA-N	-1	0	312.285	0.883	20	30		DCEDRM
N#Cc1ccccc1/C=C/C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001605620327	973943838	/nfs/dbraw/zinc/94/38/38/973943838.db2.gz	ZPJQEYFAFXQBEE-URWSZGRFSA-N	-1	0	314.297	0.800	20	30		DCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(C#CCO)c1	ZINC001591709806	975580771	/nfs/dbraw/zinc/58/07/71/975580771.db2.gz	ONCQDXBITDNFGR-HNNXBMFYSA-N	-1	0	319.357	0.981	20	30		DCEDRM
CC(C)[C@H](NC(=O)CN1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(=O)[O-]	ZINC001591868658	976192937	/nfs/dbraw/zinc/19/29/37/976192937.db2.gz	YNZVLWNOIZUMHG-SCRDCRAPSA-N	-1	0	310.398	0.130	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001592222559	977408235	/nfs/dbraw/zinc/40/82/35/977408235.db2.gz	YKINWQBUTXBKEZ-NXEZZACHSA-N	-1	0	321.424	0.215	20	30		DCEDRM
C#CCCCS(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000710579066	977513394	/nfs/dbraw/zinc/51/33/94/977513394.db2.gz	GFBRAWOEBBQPCY-WCQYABFASA-N	-1	0	301.364	0.153	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000717776072	977917149	/nfs/dbraw/zinc/91/71/49/977917149.db2.gz	SXUJWPPACULEOL-VIFPVBQESA-N	-1	0	301.320	0.339	20	30		DCEDRM
C[C@H](CN1CCOCC1)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001592623394	978594012	/nfs/dbraw/zinc/59/40/12/978594012.db2.gz	HVYICFURPVRCOF-LLVKDONJSA-N	-1	0	305.334	0.386	20	30		DCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-]	ZINC001592833149	979568876	/nfs/dbraw/zinc/56/88/76/979568876.db2.gz	CANSPVWBSGJNCC-MNOVXSKESA-N	-1	0	318.329	0.869	20	30		DCEDRM
C[C@@](Cn1cccn1)(NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC001592916032	979888236	/nfs/dbraw/zinc/88/82/36/979888236.db2.gz	BELNIDUPXRMIRT-AWEZNQCLSA-N	-1	0	320.349	0.553	20	30		DCEDRM
C[C@H](NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc(C#N)c1	ZINC001592978266	980139566	/nfs/dbraw/zinc/13/95/66/980139566.db2.gz	JBRMRHBFHFWDFP-TVYUQYBPSA-N	-1	0	315.329	0.715	20	30		DCEDRM
COC(=O)C1(CS(=O)(=O)[N-]c2cccc(CC#N)n2)CC1	ZINC001475726761	1017142337	/nfs/dbraw/zinc/14/23/37/1017142337.db2.gz	LJNVJLLNEPYJPE-UHFFFAOYSA-N	-1	0	309.347	0.843	20	30		DCEDRM
CCCCCCCCNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1	ZINC001595704460	982275200	/nfs/dbraw/zinc/27/52/00/982275200.db2.gz	OSDOEWDKDKKKAC-UHFFFAOYSA-N	-1	0	300.355	0.121	20	30		DCEDRM
CCCCS(=O)(=O)CC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001595781230	982560951	/nfs/dbraw/zinc/56/09/51/982560951.db2.gz	VGGGQUXTERXBPL-UHFFFAOYSA-N	-1	0	316.379	0.418	20	30		DCEDRM
Cc1[nH]nc(S(=O)(=O)N2CCC[C@@H](CC#N)C2)c1C(=O)[O-]	ZINC001574179876	983182425	/nfs/dbraw/zinc/18/24/25/983182425.db2.gz	YARREQLHTWDMNI-VIFPVBQESA-N	-1	0	312.351	0.731	20	30		DCEDRM
C#C[C@@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)C1CCOCC1	ZINC001588374439	983344092	/nfs/dbraw/zinc/34/40/92/983344092.db2.gz	XHOAAPXCEDXFIV-LLVKDONJSA-N	-1	0	306.322	0.668	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])C1	ZINC001588382302	983370240	/nfs/dbraw/zinc/37/02/40/983370240.db2.gz	MEKDIOUXAOOCFX-UHFFFAOYSA-N	-1	0	315.734	0.407	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001588382652	983373265	/nfs/dbraw/zinc/37/32/65/983373265.db2.gz	RPQPPRJPQKVZAT-JTQLQIEISA-N	-1	0	301.302	0.590	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H](C(=O)OCC)c1ccccc1)C(=O)[O-]	ZINC001588393429	983398255	/nfs/dbraw/zinc/39/82/55/983398255.db2.gz	BOMIXAKPWOZKSQ-OLZOCXBDSA-N	-1	0	303.314	0.926	20	30		DCEDRM
C#CC[C@H](CCOC)Nc1cc(C)nc2nc(C(=O)[O-])nn21	ZINC001588396450	983408502	/nfs/dbraw/zinc/40/85/02/983408502.db2.gz	WRZRTIXLVUQVQM-SNVBAGLBSA-N	-1	0	303.322	0.971	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@]1(c2ccccc2)CNC(=O)C1)C(=O)[O-]	ZINC001588398627	983413687	/nfs/dbraw/zinc/41/36/87/983413687.db2.gz	LOGPUHLDDHPTFG-WBMJQRKESA-N	-1	0	300.314	0.037	20	30		DCEDRM
C#CC[C@@H](NC(=O)C1CCC(S(C)(=O)=O)CC1)C(=O)[O-]	ZINC001588406044	983423832	/nfs/dbraw/zinc/42/38/32/983423832.db2.gz	LSLPKDBKUQRUHE-VQXHTEKXSA-N	-1	0	301.364	0.183	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CSCN1C(=O)OCC)C(=O)[O-]	ZINC001588407023	983427086	/nfs/dbraw/zinc/42/70/86/983427086.db2.gz	URLCIHBFPMBBPP-DTWKUNHWSA-N	-1	0	300.336	0.111	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)OC	ZINC001588423294	983451827	/nfs/dbraw/zinc/45/18/27/983451827.db2.gz	CHQMIBKFJXODEC-MRVPVSSYSA-N	-1	0	317.344	0.290	20	30		DCEDRM
C#CCC1(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC1	ZINC001588427591	983456891	/nfs/dbraw/zinc/45/68/91/983456891.db2.gz	DVQTWRZECSRRCP-UHFFFAOYSA-N	-1	0	300.380	0.563	20	30		DCEDRM
C#CCC1(NS(=O)(=O)CC(C)(C)C(=O)[O-])CCOCC1	ZINC001588427649	983457229	/nfs/dbraw/zinc/45/72/29/983457229.db2.gz	HDLZXSWIICIVBC-UHFFFAOYSA-N	-1	0	303.380	0.589	20	30		DCEDRM
C#CCCCC(=O)N[C@H](C)CN(C)c1ccnc(C(=O)[O-])n1	ZINC001588435144	983474812	/nfs/dbraw/zinc/47/48/12/983474812.db2.gz	DRHKEKAQUOWOFV-LLVKDONJSA-N	-1	0	304.350	0.919	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001588461542	983490432	/nfs/dbraw/zinc/49/04/32/983490432.db2.gz	SMHKREKLGPVPHJ-UHFFFAOYSA-N	-1	0	309.347	0.535	20	30		DCEDRM
C#CCN(Cc1ccc(C(=O)[O-])n1C)[C@@H]1CCS(=O)(=O)C1	ZINC001588469733	983502928	/nfs/dbraw/zinc/50/29/28/983502928.db2.gz	PMIUSYSYCGMTDY-GFCCVEGCSA-N	-1	0	310.375	0.346	20	30		DCEDRM
C#CCN1CCC[C@@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)C1	ZINC001588475246	983507785	/nfs/dbraw/zinc/50/77/85/983507785.db2.gz	AUGDCHKMEXPHLW-GFCCVEGCSA-N	-1	0	314.407	0.258	20	30		DCEDRM
C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)C1	ZINC001588476569	983511971	/nfs/dbraw/zinc/51/19/71/983511971.db2.gz	FGAZHCUQCJASTA-LLVKDONJSA-N	-1	0	323.374	0.156	20	30		DCEDRM
C#CCNC(=O)COC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1	ZINC001588483891	983522279	/nfs/dbraw/zinc/52/22/79/983522279.db2.gz	MHYIXOJRFRHJMI-BLLLJJGKSA-N	-1	0	301.298	0.538	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588490522	983532579	/nfs/dbraw/zinc/53/25/79/983532579.db2.gz	OLSFAHSKQVMBIM-MLGOLLRUSA-N	-1	0	309.362	0.633	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N(CCC(=O)[O-])CC(=O)OC(C)(C)C	ZINC001588490448	983532601	/nfs/dbraw/zinc/53/26/01/983532601.db2.gz	MZNGBIIWPGZRRK-LLVKDONJSA-N	-1	0	313.350	0.670	20	30		DCEDRM
C#CCOc1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC001588499193	983544943	/nfs/dbraw/zinc/54/49/43/983544943.db2.gz	PCWXLLIGWYSHIH-INIZCTEOSA-N	-1	0	303.314	0.920	20	30		DCEDRM
C#CCOc1cccc(NC(=O)NCC(=O)NCC(=O)[O-])c1	ZINC001588504240	983547163	/nfs/dbraw/zinc/54/71/63/983547163.db2.gz	OJEHODCFCYQBRV-UHFFFAOYSA-N	-1	0	305.290	0.021	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])OCC	ZINC001588534629	983586321	/nfs/dbraw/zinc/58/63/21/983586321.db2.gz	HRVSQISMGSKBCO-GARJFASQSA-N	-1	0	300.355	0.452	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC(CC(=O)[O-])C1	ZINC001588535050	983587803	/nfs/dbraw/zinc/58/78/03/983587803.db2.gz	JWNVOONSVGHYTN-QKVQEHJESA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588535355	983589012	/nfs/dbraw/zinc/58/90/12/983589012.db2.gz	NGVJRAZWCKDARH-AVGNSLFASA-N	-1	0	322.361	0.373	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001588535357	983589130	/nfs/dbraw/zinc/58/91/30/983589130.db2.gz	NGVJRAZWCKDARH-XQQFMLRXSA-N	-1	0	322.361	0.373	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C(=O)OC	ZINC001588552868	983626981	/nfs/dbraw/zinc/62/69/81/983626981.db2.gz	DCFHOIGVJJCOAG-JTQLQIEISA-N	-1	0	319.379	0.669	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-]	ZINC001588555909	983637881	/nfs/dbraw/zinc/63/78/81/983637881.db2.gz	WNBAHQZMEDIKDN-SNVBAGLBSA-N	-1	0	300.336	0.788	20	30		DCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588563498	983645581	/nfs/dbraw/zinc/64/55/81/983645581.db2.gz	XNJLTGBCORATBY-HNNXBMFYSA-N	-1	0	323.349	0.243	20	30		DCEDRM
C=C(C)Cn1c(COCC)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588598177	983681822	/nfs/dbraw/zinc/68/18/22/983681822.db2.gz	UMDLKBHISOHMJR-LLVKDONJSA-N	-1	0	310.354	0.681	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C	ZINC001588622710	983725035	/nfs/dbraw/zinc/72/50/35/983725035.db2.gz	CWWDVUOVGNXNES-JTQLQIEISA-N	-1	0	316.354	0.409	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1c[nH]c(C#N)c1	ZINC001596332128	983770130	/nfs/dbraw/zinc/77/01/30/983770130.db2.gz	HAARGJWXGUASTH-NEPJUHHUSA-N	-1	0	318.333	0.185	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588671526	983820978	/nfs/dbraw/zinc/82/09/78/983820978.db2.gz	COBZDWVJDPNBCO-FIQHERPVSA-N	-1	0	308.378	0.930	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1CCOC	ZINC001588704906	983925542	/nfs/dbraw/zinc/92/55/42/983925542.db2.gz	IUVMBZDZMGGSNQ-GRYCIOLGSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1	ZINC001588720321	983966401	/nfs/dbraw/zinc/96/64/01/983966401.db2.gz	QULDVWFIAHXCMJ-LBPRGKRZSA-N	-1	0	310.350	0.113	20	30		DCEDRM
C=CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001588753373	984084968	/nfs/dbraw/zinc/08/49/68/984084968.db2.gz	GNTSKGDAKAZDKZ-MWLCHTKSSA-N	-1	0	307.306	0.346	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1	ZINC001588773238	984147671	/nfs/dbraw/zinc/14/76/71/984147671.db2.gz	XZGKYTUZNPZNDH-IJLUTSLNSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OCC	ZINC001588779104	984164685	/nfs/dbraw/zinc/16/46/85/984164685.db2.gz	SOFMDYKBFLGAPB-SNVBAGLBSA-N	-1	0	321.395	0.915	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@H](CCC)S(N)(=O)=O)C(=O)[O-]	ZINC001588786727	984184556	/nfs/dbraw/zinc/18/45/56/984184556.db2.gz	RDPDDSQVQMAHID-ZJUUUORDSA-N	-1	0	306.384	0.369	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-]	ZINC001588789795	984201105	/nfs/dbraw/zinc/20/11/05/984201105.db2.gz	JVSIXPYYWCVPLL-WDEREUQCSA-N	-1	0	318.395	0.336	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1c(C)c[nH]c1CC(N)=O)C(=O)[O-]	ZINC001588794161	984224614	/nfs/dbraw/zinc/22/46/14/984224614.db2.gz	MVXOACTVENBHHV-SNVBAGLBSA-N	-1	0	307.350	0.890	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1cnc2n(c1=O)CCS2)C(=O)[O-]	ZINC001588798041	984232993	/nfs/dbraw/zinc/23/29/93/984232993.db2.gz	RUGOWOXYYRMVQI-SNVBAGLBSA-N	-1	0	323.374	0.888	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588808505	984262519	/nfs/dbraw/zinc/26/25/19/984262519.db2.gz	DPPMEHLEQWZKGR-SNVBAGLBSA-N	-1	0	319.379	0.116	20	30		DCEDRM
C=CCCOCC(=O)O[C@@H]1C[C@H](C(=O)[O-])N(c2cnccn2)C1	ZINC001588810537	984268185	/nfs/dbraw/zinc/26/81/85/984268185.db2.gz	WROKRRFXIWOFKM-VXGBXAGGSA-N	-1	0	321.333	0.644	20	30		DCEDRM
C=CCCSCCn1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588814836	984273405	/nfs/dbraw/zinc/27/34/05/984273405.db2.gz	UAGJRPBBVNTHME-URLYPYJESA-N	-1	0	309.395	0.749	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)nn1	ZINC001588817382	984276111	/nfs/dbraw/zinc/27/61/11/984276111.db2.gz	JJONAGPTWSYWBK-LBPRGKRZSA-N	-1	0	321.381	0.475	20	30		DCEDRM
C=CCN(C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)C1CC1	ZINC001588819828	984279524	/nfs/dbraw/zinc/27/95/24/984279524.db2.gz	DNDTZOFAEUXVBJ-WFFHOREQSA-N	-1	0	306.362	0.779	20	30		DCEDRM
C=CCN(C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)[C@H]1CCS(=O)(=O)C1	ZINC001588823898	984294722	/nfs/dbraw/zinc/29/47/22/984294722.db2.gz	BOLDZBXZFXXMNB-AEJSXWLSSA-N	-1	0	309.334	0.627	20	30		DCEDRM
C=CCNC(=O)CN1CCN(c2nc(C(=O)[O-])c(C)s2)CC1	ZINC001588844146	984356183	/nfs/dbraw/zinc/35/61/83/984356183.db2.gz	CWISCXHCWRHPSH-UHFFFAOYSA-N	-1	0	324.406	0.574	20	30		DCEDRM
C=CCNc1nnc(SCC(=O)NCCC(=O)[O-])s1	ZINC001588849496	984372019	/nfs/dbraw/zinc/37/20/19/984372019.db2.gz	USGMLJCJWUEVDR-UHFFFAOYSA-N	-1	0	302.381	0.819	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc(O)c(OC)c1)C(=O)[O-]	ZINC001588856487	984400393	/nfs/dbraw/zinc/40/03/93/984400393.db2.gz	KJLOYHZSCNGZCS-NSHDSACASA-N	-1	0	309.318	0.715	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C(=O)[O-])oc1C)C(=O)OC	ZINC001588859648	984407517	/nfs/dbraw/zinc/40/75/17/984407517.db2.gz	RYGRKPLZNFCTPZ-SNVBAGLBSA-N	-1	0	311.290	0.760	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)[C@H]1CCC[C@H]1OC)C(=O)[O-]	ZINC001588865801	984420253	/nfs/dbraw/zinc/42/02/53/984420253.db2.gz	BNADSGQHIOAOKG-AXFHLTTASA-N	-1	0	307.368	0.129	20	30		DCEDRM
C=CCn1c(-c2ncon2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588891133	984486363	/nfs/dbraw/zinc/48/63/63/984486363.db2.gz	FHMLGTCTEKCKLL-RKDXNWHRSA-N	-1	0	304.310	0.671	20	30		DCEDRM
C=CCn1c(COCCOC)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588900700	984521790	/nfs/dbraw/zinc/52/17/90/984521790.db2.gz	LOCANFYNOZKAOR-NSHDSACASA-N	-1	0	310.354	0.538	20	30		DCEDRM
C=C[C@H](CO)Nc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC001588919210	984570422	/nfs/dbraw/zinc/57/04/22/984570422.db2.gz	BNEMNSCTYZEZCM-PSASIEDQSA-N	-1	0	323.305	0.757	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001588920105	984575594	/nfs/dbraw/zinc/57/55/94/984575594.db2.gz	SRQCGMJFJZOALH-MXWKQRLJSA-N	-1	0	300.380	0.789	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)CC(C)(C)CC#N)C[C@@H](C(=O)[O-])O1	ZINC001599929960	985294706	/nfs/dbraw/zinc/29/47/06/985294706.db2.gz	CXKNDHSAKLDZID-UWVGGRQHSA-N	-1	0	304.368	0.430	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1CN(C(=O)c2cnc[nH]c2=O)CC1(C)C	ZINC001450451437	1015144792	/nfs/dbraw/zinc/14/47/92/1015144792.db2.gz	PFOHUAQGKWXHFX-ONGXEEELSA-N	-1	0	317.349	0.309	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)CC(=O)NCc1ccc(C#N)cc1	ZINC001596877735	985736918	/nfs/dbraw/zinc/73/69/18/985736918.db2.gz	PJIZCEUSZFXDSO-CQSZACIVSA-N	-1	0	319.361	0.596	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001589328609	986157994	/nfs/dbraw/zinc/15/79/94/986157994.db2.gz	DMLWHQIAXBJBGM-WDEREUQCSA-N	-1	0	317.349	0.667	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	ZINC001589329138	986161200	/nfs/dbraw/zinc/16/12/00/986161200.db2.gz	JUSSBMDXOJNCBV-HWWQOWPSSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N(C)C1(C(=O)[O-])CCCC1	ZINC001589330334	986171332	/nfs/dbraw/zinc/17/13/32/986171332.db2.gz	AJFBWAWZAUQPNT-SNVBAGLBSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001589330543	986174459	/nfs/dbraw/zinc/17/44/59/986174459.db2.gz	JGKZDPMNKDRBDP-AXFHLTTASA-N	-1	0	303.384	0.556	20	30		DCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C[C@H](C)C#N	ZINC001589331022	986183014	/nfs/dbraw/zinc/18/30/14/986183014.db2.gz	YOEJIQJQQPADAT-MNOVXSKESA-N	-1	0	321.399	0.133	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@@H]2CCCSC2)c(=O)[n-]c1=O	ZINC001450555531	1015205492	/nfs/dbraw/zinc/20/54/92/1015205492.db2.gz	JQRKCPALDICTNF-JTQLQIEISA-N	-1	0	322.390	0.470	20	30		DCEDRM
C[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccnc1)n1cnc(C#N)n1	ZINC001589379223	986454946	/nfs/dbraw/zinc/45/49/46/986454946.db2.gz	ZTWVEHJTJPCKLE-KWQFWETISA-N	-1	0	300.278	0.048	20	30		DCEDRM
CC(C)(C(=O)NC[C@@H](O)CC(=O)[O-])c1cc(F)cc(C#N)c1	ZINC001589569967	987337141	/nfs/dbraw/zinc/33/71/41/987337141.db2.gz	BYMQZAFYLSLOHF-LBPRGKRZSA-N	-1	0	308.309	0.927	20	30		DCEDRM
CC(C)(C(=O)[O-])n1cc(NC(=O)N2CCO[C@H](C#N)C2)cn1	ZINC001589672854	987677530	/nfs/dbraw/zinc/67/75/30/987677530.db2.gz	QTBXZECQANTNBT-SNVBAGLBSA-N	-1	0	307.310	0.459	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC2(CC1)OCCO2	ZINC001450753173	1015339548	/nfs/dbraw/zinc/33/95/48/1015339548.db2.gz	VIJKEVNODYXFGM-UHFFFAOYSA-N	-1	0	303.318	0.946	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001389533311	989369717	/nfs/dbraw/zinc/36/97/17/989369717.db2.gz	WLRNBJRKHGMWAA-VHSXEESVSA-N	-1	0	304.354	0.141	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)CCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001532952539	1015476792	/nfs/dbraw/zinc/47/67/92/1015476792.db2.gz	NXVFTCUJPULVRW-HNNXBMFYSA-N	-1	0	324.381	0.281	20	30		DCEDRM
C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1	ZINC001599885058	989541218	/nfs/dbraw/zinc/54/12/18/989541218.db2.gz	ANLXBDBBQKSIPR-ZYHUDNBSSA-N	-1	0	315.329	0.843	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N1CC(CC#N)C1	ZINC001590238028	989632483	/nfs/dbraw/zinc/63/24/83/989632483.db2.gz	XWLHGWWTWVBFCJ-JTQLQIEISA-N	-1	0	311.338	0.726	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2cc(C(=O)[O-])cs2)c1=O	ZINC001597870682	989676042	/nfs/dbraw/zinc/67/60/42/989676042.db2.gz	MXZNYEUSIMKTJK-UHFFFAOYSA-N	-1	0	305.315	0.710	20	30		DCEDRM
CC(C)C#CC(=O)N(C)[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001590927338	990933327	/nfs/dbraw/zinc/93/33/27/990933327.db2.gz	ZXHTZXBZEZXYLV-CYBMUJFWSA-N	-1	0	316.361	0.871	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(C(=O)[O-])cn1	ZINC001590961472	991059123	/nfs/dbraw/zinc/05/91/23/991059123.db2.gz	RKIOVLYJQHDZJU-HNNXBMFYSA-N	-1	0	319.317	0.991	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1	ZINC001598287570	991190082	/nfs/dbraw/zinc/19/00/82/991190082.db2.gz	IQGAWHFLWSURLW-QWHCGFSZSA-N	-1	0	303.318	0.596	20	30		DCEDRM
COc1ncc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1C#N	ZINC001599733832	991744768	/nfs/dbraw/zinc/74/47/68/991744768.db2.gz	HDJNCWSFQSOJHK-KOLCDFICSA-N	-1	0	320.305	0.261	20	30		DCEDRM
CN(CCC#N)C[C@H](O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC001598469147	991997932	/nfs/dbraw/zinc/99/79/32/991997932.db2.gz	UARQIHGHUCIKPH-NSHDSACASA-N	-1	0	323.305	0.878	20	30		DCEDRM
CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ncc(C#N)cc1F	ZINC001598480486	992141038	/nfs/dbraw/zinc/14/10/38/992141038.db2.gz	VMOJVRDJZVKKKQ-QWRGUYRKSA-N	-1	0	320.324	0.756	20	30		DCEDRM
CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)CSCC#N	ZINC001598487319	992222337	/nfs/dbraw/zinc/22/23/37/992222337.db2.gz	KMDLIMBAJMPHPZ-UHFFFAOYSA-N	-1	0	323.378	0.326	20	30		DCEDRM
CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)C#CC(C)(C)C	ZINC001598495992	992362106	/nfs/dbraw/zinc/36/21/06/992362106.db2.gz	SMFOIARMDBFROT-UHFFFAOYSA-N	-1	0	304.350	0.517	20	30		DCEDRM
CN1C[C@H](C(=O)[O-])N(C(=O)/C=C/c2ccccc2C#N)CC1=O	ZINC001598562397	993101710	/nfs/dbraw/zinc/10/17/10/993101710.db2.gz	KFSQCGRPDAPXAI-KTRBRXNASA-N	-1	0	313.313	0.325	20	30		DCEDRM
CN1C[C@H](C(=O)[O-])N(C(=O)c2cc(F)c(C#N)c(F)c2)CC1=O	ZINC001598563720	993117866	/nfs/dbraw/zinc/11/78/66/993117866.db2.gz	VRNZBUYWVXEKGY-LLVKDONJSA-N	-1	0	323.255	0.204	20	30		DCEDRM
CNC(=O)[C@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC001598637348	994263396	/nfs/dbraw/zinc/26/33/96/994263396.db2.gz	KFGHAFKSBNTGQV-OLZOCXBDSA-N	-1	0	303.318	0.131	20	30		DCEDRM
CNC(=O)NCCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001598654053	994491871	/nfs/dbraw/zinc/49/18/71/994491871.db2.gz	ZWKLNIPBTGLVOX-GFCCVEGCSA-N	-1	0	305.290	0.546	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC001598695104	995124040	/nfs/dbraw/zinc/12/40/40/995124040.db2.gz	QWZJYWXNCSZQGB-SKDRFNHKSA-N	-1	0	320.301	0.458	20	30		DCEDRM
C[C@@](O)(CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001593399264	995154057	/nfs/dbraw/zinc/15/40/57/995154057.db2.gz	PASYCBKYKRLXKD-SWLSCSKDSA-N	-1	0	301.302	0.192	20	30		DCEDRM
COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cccc(C(=O)[O-])c1C#N	ZINC001598740811	995561576	/nfs/dbraw/zinc/56/15/76/995561576.db2.gz	GOHYPZDBGCOJFP-KBPBESRZSA-N	-1	0	318.329	0.755	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)[nH]1	ZINC001598749354	995632012	/nfs/dbraw/zinc/63/20/12/995632012.db2.gz	FHIHTYPSHHQZKM-KCJUWKMLSA-N	-1	0	305.290	0.365	20	30		DCEDRM
C[C@@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)NC1(C#N)CCC1	ZINC001593556253	995640170	/nfs/dbraw/zinc/64/01/70/995640170.db2.gz	FMCQWMQKMUIGRG-SSDOTTSWSA-N	-1	0	307.262	0.481	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccnc(C#N)c2)C1	ZINC001598780286	995976925	/nfs/dbraw/zinc/97/69/25/995976925.db2.gz	RKPVNUZPEYCWCC-ZYHUDNBSSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cccc(C#N)n2)C1	ZINC001598782047	995995634	/nfs/dbraw/zinc/99/56/34/995995634.db2.gz	XXFCURCUFJUXII-JOYOIKCWSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)NCC2(C#N)CCC2)C[C@@H]1C(=O)[O-]	ZINC001598805752	996184693	/nfs/dbraw/zinc/18/46/93/996184693.db2.gz	AGALZVUIUXJUOW-VHSXEESVSA-N	-1	0	309.322	0.195	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)Nc2sccc2C#N)C[C@H]1C(=O)[O-]	ZINC001598814281	996256584	/nfs/dbraw/zinc/25/65/84/996256584.db2.gz	KBTZDUVEFGLKLH-RKDXNWHRSA-N	-1	0	323.330	0.957	20	30		DCEDRM
COC(=O)[C@@]1(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CCOC1	ZINC001465764808	1016023041	/nfs/dbraw/zinc/02/30/41/1016023041.db2.gz	FNCYJHCEAZCBHE-CQSZACIVSA-N	-1	0	305.290	0.029	20	30		DCEDRM
CC1(C#N)CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)CC1	ZINC001593742587	996361450	/nfs/dbraw/zinc/36/14/50/996361450.db2.gz	BEGFITUZHSKLIY-UHFFFAOYSA-N	-1	0	303.318	0.699	20	30		DCEDRM
COC(=O)[C@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC001598825912	996381888	/nfs/dbraw/zinc/38/18/88/996381888.db2.gz	GFUGKYWNSRDUIN-UWVGGRQHSA-N	-1	0	319.273	0.776	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)C1(C(=O)[O-])CC2(CCC2)C1	ZINC001598854760	996628380	/nfs/dbraw/zinc/62/83/80/996628380.db2.gz	GSJYLLSUULLTCF-UHFFFAOYSA-N	-1	0	308.334	0.937	20	30		DCEDRM
COC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1CC1	ZINC001599176785	996862101	/nfs/dbraw/zinc/86/21/01/996862101.db2.gz	COJRVJBOKQOOIG-LBPRGKRZSA-N	-1	0	324.358	0.960	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(c2nnc(CC(C)(C)C#N)n2C)C1	ZINC001599076642	996886491	/nfs/dbraw/zinc/88/64/91/996886491.db2.gz	DEXIKZCJHBWPNJ-CQSZACIVSA-N	-1	0	307.354	0.587	20	30		DCEDRM
COc1ccc(C(=O)[O-])c(NC(=O)C(=O)NC[C@H](C)C#N)c1	ZINC001599488385	996894046	/nfs/dbraw/zinc/89/40/46/996894046.db2.gz	VOPKYPRDCNXUND-MRVPVSSYSA-N	-1	0	305.290	0.608	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@H](C)Oc1ccccc1C#N	ZINC001598888816	996952268	/nfs/dbraw/zinc/95/22/68/996952268.db2.gz	ICGKOPLJYMSSGH-JOYOIKCWSA-N	-1	0	321.285	0.885	20	30		DCEDRM
COc1cc(C(=O)[O-])sc1S(=O)(=O)O[C@H]1CNOC1	ZINC001599388189	996983362	/nfs/dbraw/zinc/98/33/62/996983362.db2.gz	WDIFPEZWTVZHBF-YFKPBYRVSA-N	-1	0	309.321	0.064	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN1CC(=O)NC1(C#N)CCCCC1	ZINC001599193552	997172049	/nfs/dbraw/zinc/17/20/49/997172049.db2.gz	RGAYGXIKCIGJAP-MRXNPFEDSA-N	-1	0	323.393	0.895	20	30		DCEDRM
C[C@@]1(CCC(=O)[O-])NC(=O)N(Cc2nc(C#N)cs2)C1=O	ZINC001594000663	997363409	/nfs/dbraw/zinc/36/34/09/997363409.db2.gz	GQXZMQGOIBGVDM-LBPRGKRZSA-N	-1	0	308.319	0.690	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])n(CN2CCC(C)(C#N)CC2)n1	ZINC001598923421	997612005	/nfs/dbraw/zinc/61/20/05/997612005.db2.gz	ZHBMSCMZUPEALB-UHFFFAOYSA-N	-1	0	306.322	0.951	20	30		DCEDRM
CCc1cnc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001467376621	1016163011	/nfs/dbraw/zinc/16/30/11/1016163011.db2.gz	YMKRSRQAWVLBJK-UHFFFAOYSA-N	-1	0	317.305	0.077	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC001594141551	998445077	/nfs/dbraw/zinc/44/50/77/998445077.db2.gz	KRKGPVAADPJSIN-VHSXEESVSA-N	-1	0	319.321	0.057	20	30		DCEDRM
COC(=O)c1ccc(SC[C@H](NC(C)=O)C(=O)[O-])c(C#N)n1	ZINC001598987983	998711638	/nfs/dbraw/zinc/71/16/38/998711638.db2.gz	MBZNFFULXUIZKW-JTQLQIEISA-N	-1	0	323.330	0.421	20	30		DCEDRM
C[C@@H]1CC(=O)Nc2ccc(C(=O)N(CC#N)CC(=O)[O-])cc2N1	ZINC001594198722	998769833	/nfs/dbraw/zinc/76/98/33/998769833.db2.gz	OUHRZLBJFQNMJC-SECBINFHSA-N	-1	0	316.317	0.880	20	30		DCEDRM
COC(=O)c1sc(S(=O)(=O)NCC#N)c(C(=O)[O-])c1C	ZINC001599022808	998994253	/nfs/dbraw/zinc/99/42/53/998994253.db2.gz	VJYXTVHIGLRKNA-UHFFFAOYSA-N	-1	0	318.332	0.343	20	30		DCEDRM
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])[C@@H]1CO	ZINC001594431556	999605876	/nfs/dbraw/zinc/60/58/76/999605876.db2.gz	ATPUUBZUOVGWGW-JOYOIKCWSA-N	-1	0	324.358	0.648	20	30		DCEDRM
C=CCn1cc(C(=O)NC(C)(C)c2nc(C)cc(=O)[nH]2)nn1	ZINC001469700805	1016355562	/nfs/dbraw/zinc/35/55/62/1016355562.db2.gz	XSKLAMTUYVFCMG-UHFFFAOYSA-N	-1	0	302.338	0.933	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C[C@@H](C)O1	ZINC001418446277	1000226453	/nfs/dbraw/zinc/22/64/53/1000226453.db2.gz	CPJJZKCOPRQOQK-KOLCDFICSA-N	-1	0	319.317	0.370	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cc(Cl)c[nH]2)c(=O)[n-]c1=O	ZINC001418529389	1000317209	/nfs/dbraw/zinc/31/72/09/1000317209.db2.gz	OFZKEQBGIUYTCT-UHFFFAOYSA-N	-1	0	307.697	0.232	20	30		DCEDRM
CSCC[C@H](NC(=O)Cc1noc(C)c1C#N)c1nnn[n-]1	ZINC001470328091	1016419105	/nfs/dbraw/zinc/41/91/05/1016419105.db2.gz	DFCAARZKIMOLPX-VIFPVBQESA-N	-1	0	321.366	0.521	20	30		DCEDRM
Cc1onc(CC(=O)N[C@H](c2nnn[n-]2)c2ccccc2)c1C#N	ZINC001470630174	1016470240	/nfs/dbraw/zinc/47/02/40/1016470240.db2.gz	UVKXLZSWFOPCDU-AWEZNQCLSA-N	-1	0	323.316	0.816	20	30		DCEDRM
CC1(C)C[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC001420139704	1001930958	/nfs/dbraw/zinc/93/09/58/1001930958.db2.gz	GWKCHZGRVJSPHY-SNVBAGLBSA-N	-1	0	322.390	0.611	20	30		DCEDRM
CC(C)(C)[C@H](CNCC#N)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001507963642	1016604998	/nfs/dbraw/zinc/60/49/98/1016604998.db2.gz	OHPLIHVRNFNJFR-JTQLQIEISA-N	-1	0	324.385	0.114	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@]2(CCOC2=O)C1	ZINC001420703158	1002820858	/nfs/dbraw/zinc/82/08/58/1002820858.db2.gz	AUDGFSYGQBNKGV-HNNXBMFYSA-N	-1	0	301.302	0.747	20	30		DCEDRM
CCOC(=O)[C@]1(C)CCC[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421207231	1003442447	/nfs/dbraw/zinc/44/24/47/1003442447.db2.gz	WANIMUMXVHPMKK-MEBBXXQBSA-N	-1	0	320.349	0.479	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001426927104	1004127160	/nfs/dbraw/zinc/12/71/60/1004127160.db2.gz	MDDOPCPBRAGLBB-DVVUODLYSA-N	-1	0	319.365	0.598	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc(-c3c[nH]cn3)cc2)c(C#N)c1=O	ZINC001472850442	1016863828	/nfs/dbraw/zinc/86/38/28/1016863828.db2.gz	YYTSYFUZYUEFIX-UHFFFAOYSA-N	-1	0	322.328	0.947	20	30		DCEDRM
CCC[C@H]1C(=O)NCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417703915	1005871820	/nfs/dbraw/zinc/87/18/20/1005871820.db2.gz	BDFFVHYUOMLXSR-NSHDSACASA-N	-1	0	302.334	0.708	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCn2cnnc2)cc1C#N	ZINC001417871221	1005910707	/nfs/dbraw/zinc/91/07/07/1005910707.db2.gz	SGQBHZBSXBNESL-UHFFFAOYSA-N	-1	0	304.335	0.402	20	30		DCEDRM
CC(F)(F)CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417883581	1005914824	/nfs/dbraw/zinc/91/48/24/1005914824.db2.gz	KSTNPJABWHNVIE-UHFFFAOYSA-N	-1	0	300.265	0.372	20	30		DCEDRM
C[C@@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)CC(F)F	ZINC001418162517	1006116514	/nfs/dbraw/zinc/11/65/14/1006116514.db2.gz	FGFPCEQAEFSMAU-SSDOTTSWSA-N	-1	0	300.265	0.228	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)C1N=NC(=O)N1C	ZINC001452564185	1006915979	/nfs/dbraw/zinc/91/59/79/1006915979.db2.gz	UZKGYNMFCGTDIW-SSDOTTSWSA-N	-1	0	302.294	0.292	20	30		DCEDRM
Cc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1F	ZINC001440482970	1007818068	/nfs/dbraw/zinc/81/80/68/1007818068.db2.gz	XHHJVTJQHBMVOJ-UHFFFAOYSA-N	-1	0	302.265	0.907	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(C#N)cn2)cn1	ZINC001433442487	1008792078	/nfs/dbraw/zinc/79/20/78/1008792078.db2.gz	SNWQBURRWMZSMF-UHFFFAOYSA-N	-1	0	317.330	0.972	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](C(=O)N(C)C)C1	ZINC001434085685	1009542932	/nfs/dbraw/zinc/54/29/32/1009542932.db2.gz	AFKOZTCRLGARKU-JTQLQIEISA-N	-1	0	302.334	0.518	20	30		DCEDRM
C[C@@H](CS(C)(=O)=O)N(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001434458470	1009973686	/nfs/dbraw/zinc/97/36/86/1009973686.db2.gz	OBHQYLJKBCBBMS-VIFPVBQESA-N	-1	0	323.378	0.171	20	30		DCEDRM
CS(C)(=O)=NC(=O)C[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC001434579505	1010114655	/nfs/dbraw/zinc/11/46/55/1010114655.db2.gz	UHGZHVLJFCFMGF-UHFFFAOYSA-N	-1	0	321.424	0.244	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC2(CNC(=O)O2)CC1	ZINC001456564361	1011340639	/nfs/dbraw/zinc/34/06/39/1011340639.db2.gz	JAYBLHCRGXZMLQ-UHFFFAOYSA-N	-1	0	316.317	0.682	20	30		DCEDRM
N#Cc1c(N)sc2c1CCN(C(=O)CCc1nnn[n-]1)C2	ZINC001456731305	1011423236	/nfs/dbraw/zinc/42/32/36/1011423236.db2.gz	DXLNBZKQQUSXOP-UHFFFAOYSA-N	-1	0	303.351	0.233	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H]2CN(C)C(=O)[C@H](C)C#N)c1[O-]	ZINC001423721828	1011452525	/nfs/dbraw/zinc/45/25/25/1011452525.db2.gz	HUCMIZFMNJFTAO-KOLCDFICSA-N	-1	0	319.365	0.646	20	30		DCEDRM
CCn1cccc1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001457198712	1011610354	/nfs/dbraw/zinc/61/03/54/1011610354.db2.gz	JVXBJGXIHGHRGG-UHFFFAOYSA-N	-1	0	313.317	0.339	20	30		DCEDRM
CN1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C(C)(C)C1=O	ZINC001459662332	1012817948	/nfs/dbraw/zinc/81/79/48/1012817948.db2.gz	FBUFPZPGPAYQSA-UHFFFAOYSA-N	-1	0	314.349	0.359	20	30		DCEDRM
C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)c1cnc[nH]c1=O	ZINC001520686988	1017302535	/nfs/dbraw/zinc/30/25/35/1017302535.db2.gz	LDQHUGGGGPPPRQ-MFKMUULPSA-N	-1	0	314.345	0.315	20	30		DCEDRM
C#Cc1ccc(CNC(=O)NCCOCCOCC(=O)[O-])cc1	ZINC001521217889	1017337929	/nfs/dbraw/zinc/33/79/29/1017337929.db2.gz	WWKSEFZZFFCLCH-UHFFFAOYSA-N	-1	0	320.345	0.585	20	30		DCEDRM
C#CCCCC(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001501781938	1019473283	/nfs/dbraw/zinc/47/32/83/1019473283.db2.gz	MDJZSDVQLSNHEX-VOTSOKGWSA-N	-1	0	304.350	0.629	20	30		DCEDRM
CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)C#CC(C)C	ZINC001496711196	1019562607	/nfs/dbraw/zinc/56/26/07/1019562607.db2.gz	DCBTUEUGGOFGKX-UHFFFAOYSA-N	-1	0	306.366	0.661	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H](CCC(C)(C)C)C(=O)[O-]	ZINC000362230340	529869996	/nfs/dbraw/zinc/86/99/96/529869996.db2.gz	WNJSLVWNGZNXKS-SNVBAGLBSA-N	-1	0	305.400	0.946	20	30		DCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000187764389	237354284	/nfs/dbraw/zinc/35/42/84/237354284.db2.gz	CBMPVRMBMJPNGK-UHFFFAOYSA-N	-1	0	302.319	0.842	20	30		DCEDRM
COC[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000158603516	291231892	/nfs/dbraw/zinc/23/18/92/291231892.db2.gz	PHJHHBNPNKADEC-JTQLQIEISA-N	-1	0	302.283	0.075	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000566227764	291284645	/nfs/dbraw/zinc/28/46/45/291284645.db2.gz	MLXYCJFENWPJEK-UHFFFAOYSA-N	-1	0	305.290	0.486	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccc(COC)c1)C(=O)[O-]	ZINC000275087132	212113198	/nfs/dbraw/zinc/11/31/98/212113198.db2.gz	ZUEUWEDKWOPNPY-ZDUSSCGKSA-N	-1	0	311.359	0.978	20	30		DCEDRM
N#Cc1cc(C(=O)NC2(c3nnn[n-]3)CC2)cnc1C(F)(F)F	ZINC000348809780	254257838	/nfs/dbraw/zinc/25/78/38/254257838.db2.gz	LNDQIHKSZARIJZ-UHFFFAOYSA-N	-1	0	323.238	0.904	20	30		DCEDRM
N#Cc1nc(NC(=O)CNC(=O)c2cccs2)[n-]c1C#N	ZINC000026271037	395694288	/nfs/dbraw/zinc/69/42/88/395694288.db2.gz	TVIQFNFJQRYRHS-UHFFFAOYSA-N	-1	0	300.303	0.583	20	30		DCEDRM
C=CCSCCNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000231937696	395886415	/nfs/dbraw/zinc/88/64/15/395886415.db2.gz	IRAISWFAXLPQJC-SNVBAGLBSA-N	-1	0	308.425	0.537	20	30		DCEDRM
CCn1nc(C)c(S(=O)(=O)[N-]c2c(C#N)cnn2C)c1C	ZINC000274702216	395969245	/nfs/dbraw/zinc/96/92/45/395969245.db2.gz	NZRCLYCZLGSMQX-UHFFFAOYSA-N	-1	0	308.367	0.926	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)NC[C@H]1COC2(CCCC2)O1	ZINC000277192024	396054364	/nfs/dbraw/zinc/05/43/64/396054364.db2.gz	OQGFVCQCSBMJOR-NSHDSACASA-N	-1	0	323.374	0.917	20	30		DCEDRM
COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cnn(C)c1)C(C)C	ZINC000066723165	396013678	/nfs/dbraw/zinc/01/36/78/396013678.db2.gz	OICJZEWAKYYASB-VIFPVBQESA-N	-1	0	318.355	0.446	20	30		DCEDRM
COCC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000261988277	396087233	/nfs/dbraw/zinc/08/72/33/396087233.db2.gz	SONGYDXWRINOTF-ZYHUDNBSSA-N	-1	0	306.318	0.931	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000262097604	396098701	/nfs/dbraw/zinc/09/87/01/396098701.db2.gz	IMGJWEGLAUNBMT-ZDUSSCGKSA-N	-1	0	304.302	0.639	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2cccnc2C#N)C1	ZINC000263199567	396206249	/nfs/dbraw/zinc/20/62/49/396206249.db2.gz	MFBGAPNPAMYZRK-NXEZZACHSA-N	-1	0	309.347	0.685	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)C(=O)[O-]	ZINC000594529856	396484299	/nfs/dbraw/zinc/48/42/99/396484299.db2.gz	MZDYQFSKIKPKPQ-UWVGGRQHSA-N	-1	0	303.318	0.572	20	30		DCEDRM
C[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)C(=O)[O-]	ZINC000594539244	396485580	/nfs/dbraw/zinc/48/55/80/396485580.db2.gz	YMYJHFZQVUQKNK-NSHDSACASA-N	-1	0	317.349	0.506	20	30		DCEDRM
C[C@@H](CC1CCN(S(=O)(=O)N(C)CCC#N)CC1)C(=O)[O-]	ZINC000594573319	396488155	/nfs/dbraw/zinc/48/81/55/396488155.db2.gz	LBVLWOVPZKNCBU-NSHDSACASA-N	-1	0	317.411	0.899	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)o1	ZINC000293027199	396583351	/nfs/dbraw/zinc/58/33/51/396583351.db2.gz	ISQWOPFINYEHLU-QMMMGPOBSA-N	-1	0	323.334	0.131	20	30		DCEDRM
C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1	ZINC000595985575	396703161	/nfs/dbraw/zinc/70/31/61/396703161.db2.gz	DBBWPQAJDMZQQN-AWEZNQCLSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C[C@@H]1C(=O)[O-]	ZINC000595990525	396703987	/nfs/dbraw/zinc/70/39/87/396703987.db2.gz	QCIYSJFKZNLSLH-ZETOZRRWSA-N	-1	0	307.350	0.318	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)C3(C(=O)[O-])CCC3)CC2)c1	ZINC000595989359	396704336	/nfs/dbraw/zinc/70/43/36/396704336.db2.gz	NOXOKVKCKFQOBK-UHFFFAOYSA-N	-1	0	314.345	0.857	20	30		DCEDRM
CC(C)c1nc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cn1C	ZINC000591259654	396891954	/nfs/dbraw/zinc/89/19/54/396891954.db2.gz	BLXPEFQCSQOHLU-UHFFFAOYSA-N	-1	0	308.367	0.949	20	30		DCEDRM
CO[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)[C@@](C)(C(=O)[O-])C1	ZINC000600661705	396908388	/nfs/dbraw/zinc/90/83/88/396908388.db2.gz	YHLVMVOFBQMNAH-CMPLNLGQSA-N	-1	0	316.379	0.574	20	30		DCEDRM
CO[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)[C@@](C)(C(=O)[O-])C1	ZINC000600661708	396908764	/nfs/dbraw/zinc/90/87/64/396908764.db2.gz	YHLVMVOFBQMNAH-ZYHUDNBSSA-N	-1	0	316.379	0.574	20	30		DCEDRM
Cc1ncc(S(=O)(=O)[N-]c2nc3n(c2C#N)CCS3)n1C	ZINC000600668928	396911297	/nfs/dbraw/zinc/91/12/97/396911297.db2.gz	RHKGFXIFPLCWTK-UHFFFAOYSA-N	-1	0	324.391	0.703	20	30		DCEDRM
C=CCN(C(=O)c1cncc(C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC000630111265	396942523	/nfs/dbraw/zinc/94/25/23/396942523.db2.gz	NJTXSJBZAMOMQF-GFCCVEGCSA-N	-1	0	324.358	0.595	20	30		DCEDRM
COC[C@@](C)(C#N)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000597382759	396958198	/nfs/dbraw/zinc/95/81/98/396958198.db2.gz	USYKXOINPSFEGE-CQSZACIVSA-N	-1	0	302.290	0.688	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cccc(C#N)c1	ZINC000591667491	396970556	/nfs/dbraw/zinc/97/05/56/396970556.db2.gz	SLNLKSABGBXKFL-AWEZNQCLSA-N	-1	0	324.358	0.813	20	30		DCEDRM
CCC(CC)(CNC(=O)C(=O)N1CC[C@@](F)(C#N)C1)C(=O)[O-]	ZINC000591692014	396978690	/nfs/dbraw/zinc/97/86/90/396978690.db2.gz	JOUCLRJCYVUXKC-CQSZACIVSA-N	-1	0	313.329	0.458	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cnccc2-n2ccnn2)o1	ZINC000377545041	397098695	/nfs/dbraw/zinc/09/86/95/397098695.db2.gz	WVBDIXPVIKDNSP-UHFFFAOYSA-N	-1	0	316.302	0.928	20	30		DCEDRM
CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1	ZINC000592427886	397173747	/nfs/dbraw/zinc/17/37/47/397173747.db2.gz	STXRLRLDKRKGPB-CQSZACIVSA-N	-1	0	311.313	0.164	20	30		DCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C1CC1)C1CC1	ZINC000602084232	397296351	/nfs/dbraw/zinc/29/63/51/397296351.db2.gz	FKNYSRVVOSLDHJ-UHFFFAOYSA-N	-1	0	302.334	0.468	20	30		DCEDRM
C[C@H]1c2ccccc2CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602096542	397299445	/nfs/dbraw/zinc/29/94/45/397299445.db2.gz	LCFBMZOJZZVVJQ-NSHDSACASA-N	-1	0	324.340	0.966	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2C[C@@H]3CCC[C@@H]3C2)c(=O)[n-]c1=O	ZINC000602120990	397309245	/nfs/dbraw/zinc/30/92/45/397309245.db2.gz	UVXVROZAOCJMRQ-PHIMTYICSA-N	-1	0	302.334	0.469	20	30		DCEDRM
CS[C@@H]1CCCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602122564	397310020	/nfs/dbraw/zinc/31/00/20/397310020.db2.gz	GGFWZNDVXZYELM-LLVKDONJSA-N	-1	0	322.390	0.565	20	30		DCEDRM
C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H]2CCCC[C@@H]21	ZINC000602131739	397313877	/nfs/dbraw/zinc/31/38/77/397313877.db2.gz	UZXZRLNJBNGEJH-RAIGVLPGSA-N	-1	0	316.361	0.858	20	30		DCEDRM
N#C[C@@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCc2ccccc2C1	ZINC000613841039	397333835	/nfs/dbraw/zinc/33/38/35/397333835.db2.gz	ZASASRYQTROGKY-OAHLLOKOSA-N	-1	0	311.301	0.464	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NCC1(CC(=O)[O-])CCC1	ZINC000593257406	397342614	/nfs/dbraw/zinc/34/26/14/397342614.db2.gz	YOOCIWRJKCJIEA-JTQLQIEISA-N	-1	0	303.384	0.700	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCCSCC(=O)[O-]	ZINC000593262215	397344541	/nfs/dbraw/zinc/34/45/41/397344541.db2.gz	KMQVFKZGJFJIBT-VIFPVBQESA-N	-1	0	309.413	0.120	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1C	ZINC000593268897	397345115	/nfs/dbraw/zinc/34/51/15/397345115.db2.gz	VCJHNRQCWAUVMS-VGMNWLOBSA-N	-1	0	307.397	0.313	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-]	ZINC000593271540	397346343	/nfs/dbraw/zinc/34/63/43/397346343.db2.gz	IHSCCAOHNYAQGH-VHSXEESVSA-N	-1	0	319.383	0.029	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000593269571	397346601	/nfs/dbraw/zinc/34/66/01/397346601.db2.gz	JMZBFVQXJNRSIQ-QWRGUYRKSA-N	-1	0	303.384	0.794	20	30		DCEDRM
C[C@@H](CSCCNS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000593274672	397347514	/nfs/dbraw/zinc/34/75/14/397347514.db2.gz	USXOPNVWMMDYKE-UWVGGRQHSA-N	-1	0	323.440	0.509	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC1([C@@H](C)C(=O)[O-])CC1	ZINC000593273712	397347664	/nfs/dbraw/zinc/34/76/64/397347664.db2.gz	MJKHLUFEZNNDHY-UWVGGRQHSA-N	-1	0	303.384	0.556	20	30		DCEDRM
N#Cc1cn(CC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)c(=O)[n-]c1=O	ZINC000602158739	397327082	/nfs/dbraw/zinc/32/70/82/397327082.db2.gz	DXJTUMNWRWVQAP-TZMCWYRMSA-N	-1	0	314.345	0.468	20	30		DCEDRM
C[C@@H]1[C@H](C)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC000602163524	397328576	/nfs/dbraw/zinc/32/85/76/397328576.db2.gz	JNZRXQPBUJUXGB-MXWKQRLJSA-N	-1	0	304.350	0.714	20	30		DCEDRM
N#CC1(CS(=O)(=O)N(CCO)CCC(=O)[O-])CCCCC1	ZINC000614375884	397428860	/nfs/dbraw/zinc/42/88/60/397428860.db2.gz	AFKCEMDOAZMEKB-UHFFFAOYSA-N	-1	0	318.395	0.559	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@](C)(CC)C(=O)[O-]	ZINC000579361467	397558479	/nfs/dbraw/zinc/55/84/79/397558479.db2.gz	ZTFZTXUEMGHWBX-JQWIXIFHSA-N	-1	0	305.400	0.803	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2cnn(C)c2C)n(CCC#N)n1	ZINC000579546043	397578232	/nfs/dbraw/zinc/57/82/32/397578232.db2.gz	LIRFYZIRZMACFJ-UHFFFAOYSA-N	-1	0	308.367	0.948	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H](CC(=O)[O-])C2)cn1	ZINC000127114157	158270064	/nfs/dbraw/zinc/27/00/64/158270064.db2.gz	VAZUMEDMELVFFD-SNVBAGLBSA-N	-1	0	309.347	0.829	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nncn3c2)cn1	ZINC000181078719	158483008	/nfs/dbraw/zinc/48/30/08/158483008.db2.gz	LHUQCPVEKANMGS-UHFFFAOYSA-N	-1	0	300.303	0.797	20	30		DCEDRM
COc1cc(OC)nc([N-]S(=O)(=O)c2cncc(C#N)c2)n1	ZINC000320249051	159009753	/nfs/dbraw/zinc/00/97/53/159009753.db2.gz	WFGCSIXTJIOEOB-UHFFFAOYSA-N	-1	0	321.318	0.561	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000408333198	160086730	/nfs/dbraw/zinc/08/67/30/160086730.db2.gz	AWULWTMUNDVFHN-SNVBAGLBSA-N	-1	0	311.338	0.599	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)CC(=O)[O-]	ZINC000232107828	287064466	/nfs/dbraw/zinc/06/44/66/287064466.db2.gz	WPDXCQCXQMIILP-SECBINFHSA-N	-1	0	316.310	0.465	20	30		DCEDRM
N#Cc1ccc(C[C@H](C#N)C(=O)NCCCc2n[nH]c(=O)[n-]2)cc1	ZINC000352590445	415239129	/nfs/dbraw/zinc/23/91/29/415239129.db2.gz	ZVEOPMCRCUUFTL-CYBMUJFWSA-N	-1	0	324.344	0.813	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])n1	ZINC000342884918	415337260	/nfs/dbraw/zinc/33/72/60/415337260.db2.gz	RWRQAWNSLJRNMV-UHFFFAOYSA-N	-1	0	302.250	0.194	20	30		DCEDRM
COCc1nc(=NC(=O)COc2ccc(C#N)cc2)s[n-]1	ZINC000344037920	415824148	/nfs/dbraw/zinc/82/41/48/415824148.db2.gz	AJINYCRCBJRFLK-UHFFFAOYSA-N	-1	0	304.331	0.996	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C	ZINC000290952963	415825716	/nfs/dbraw/zinc/82/57/16/415825716.db2.gz	NFCGSGQXHAXJRB-NSHDSACASA-N	-1	0	315.376	0.900	20	30		DCEDRM
C=C[C@@H](CO)[N-]S(=O)(=O)[C@@H](CC(=O)OCC)C(F)(F)F	ZINC000296942855	415942454	/nfs/dbraw/zinc/94/24/54/415942454.db2.gz	GTNTUFCXZBQEFS-YUMQZZPRSA-N	-1	0	319.301	0.337	20	30		DCEDRM
C#CCC[N-]S(=O)(=O)[C@@H](CC(=O)OCC)C(F)(F)F	ZINC000296577786	415932087	/nfs/dbraw/zinc/93/20/87/415932087.db2.gz	DQKZXFQFVMBVSG-QMMMGPOBSA-N	-1	0	301.286	0.813	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000316530503	416116557	/nfs/dbraw/zinc/11/65/57/416116557.db2.gz	KKMOKSCRVOKFNU-GFCCVEGCSA-N	-1	0	324.358	0.731	20	30		DCEDRM
CC#CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccs1	ZINC000341098982	416202286	/nfs/dbraw/zinc/20/22/86/416202286.db2.gz	YPVHGGRMLQESPB-SNVBAGLBSA-N	-1	0	300.405	0.897	20	30		DCEDRM
C=CCNC(=O)CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000348090228	416232081	/nfs/dbraw/zinc/23/20/81/416232081.db2.gz	WWCLQWXJZIVEFN-UHFFFAOYSA-N	-1	0	302.290	0.062	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000191246526	416284692	/nfs/dbraw/zinc/28/46/92/416284692.db2.gz	CLTRSVNJBQOKRW-NSHDSACASA-N	-1	0	306.318	0.727	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000191246511	416284952	/nfs/dbraw/zinc/28/49/52/416284952.db2.gz	CLTRSVNJBQOKRW-LLVKDONJSA-N	-1	0	306.318	0.727	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cn1	ZINC000195439931	416326052	/nfs/dbraw/zinc/32/60/52/416326052.db2.gz	HGUVTSMGQJCJJN-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000195475746	416326396	/nfs/dbraw/zinc/32/63/96/416326396.db2.gz	JNDLLQYRLLEWOH-UFBFGSQYSA-N	-1	0	311.338	0.500	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1C#N	ZINC000422659012	416445725	/nfs/dbraw/zinc/44/57/25/416445725.db2.gz	FRZMIXKUBYGKCV-LBPRGKRZSA-N	-1	0	301.302	0.881	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC(C)(C)C#N)C1	ZINC000422949293	416449610	/nfs/dbraw/zinc/44/96/10/416449610.db2.gz	UURSAHKBQXPYLK-GHMZBOCLSA-N	-1	0	309.366	0.564	20	30		DCEDRM
Cc1cc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)nn1CCC#N	ZINC000592465772	416542349	/nfs/dbraw/zinc/54/23/49/416542349.db2.gz	HJPXVCPGGGBBSJ-WDEREUQCSA-N	-1	0	305.338	1.480	20	30		DCEDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1n[nH]cc1C#N	ZINC000440090204	416626508	/nfs/dbraw/zinc/62/65/08/416626508.db2.gz	GOWJASHQYZEBPA-UHFFFAOYSA-N	-1	0	323.290	0.999	20	30		DCEDRM
C[C@@H]1CCC[C@H](NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)[C@@H]1C	ZINC000516650722	416732818	/nfs/dbraw/zinc/73/28/18/416732818.db2.gz	SNYFWYUYJKWYQN-FOGDFJRCSA-N	-1	0	304.350	0.349	20	30		DCEDRM
C=CCCOCCNS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000563532159	416882933	/nfs/dbraw/zinc/88/29/33/416882933.db2.gz	JFKQVNWLHVQCDU-UHFFFAOYSA-N	-1	0	306.365	0.712	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(CC(=O)[O-])CCC1	ZINC000519604145	416922212	/nfs/dbraw/zinc/92/22/12/416922212.db2.gz	LRUMWVFRJPYHFG-JTQLQIEISA-N	-1	0	303.384	0.557	20	30		DCEDRM
C[C@H](NS(=O)(=O)N(C)CCC#N)c1ncc(C(=O)[O-])s1	ZINC000519715277	416930251	/nfs/dbraw/zinc/93/02/51/416930251.db2.gz	VZMWWBOWUIERLM-ZETCQYMHSA-N	-1	0	318.380	0.582	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2ncc(C#N)s2)c1	ZINC000618975759	417244261	/nfs/dbraw/zinc/24/42/61/417244261.db2.gz	VSQNNZDAYWFSTF-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
CN1C(=O)COc2ccc(C([O-])=C(C#N)C(=O)NC3CC3)cc21	ZINC000528917125	417399367	/nfs/dbraw/zinc/39/93/67/417399367.db2.gz	GUCHNGMSRHXYFL-NSHDSACASA-N	-1	0	313.313	0.643	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000573551684	417471398	/nfs/dbraw/zinc/47/13/98/417471398.db2.gz	KOVCGVINANJXMP-SNVBAGLBSA-N	-1	0	324.358	0.588	20	30		DCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000573812519	417476416	/nfs/dbraw/zinc/47/64/16/417476416.db2.gz	HQPGAJJHDZODQN-ZETCQYMHSA-N	-1	0	313.291	0.731	20	30		DCEDRM
C=CCc1ccccc1OC[C@@H](O)CN1CCO[C@@H](C(=O)[O-])C1	ZINC000574213437	417481108	/nfs/dbraw/zinc/48/11/08/417481108.db2.gz	SPULLPVQTOTOLX-GOEBONIOSA-N	-1	0	321.373	0.940	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000575923534	417563523	/nfs/dbraw/zinc/56/35/23/417563523.db2.gz	VIIFBJZTHRIQPS-QWRGUYRKSA-N	-1	0	303.384	0.509	20	30		DCEDRM
CC(C)(C)C(=O)N1CCC(Cn2c(=O)[n-]cc(C#N)c2=O)CC1	ZINC000576583708	417621973	/nfs/dbraw/zinc/62/19/73/417621973.db2.gz	FMJAFPIZANRHGU-UHFFFAOYSA-N	-1	0	318.377	0.693	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cnn2c1OCCC2)C(=O)[O-]	ZINC000646044656	417860772	/nfs/dbraw/zinc/86/07/72/417860772.db2.gz	OTWXFADJEWSBTD-SECBINFHSA-N	-1	0	315.351	0.363	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000647505334	418017012	/nfs/dbraw/zinc/01/70/12/418017012.db2.gz	ROKZZRBQEXLGJR-UHFFFAOYSA-N	-1	0	312.366	0.361	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC000653532576	418085497	/nfs/dbraw/zinc/08/54/97/418085497.db2.gz	WIHFSZKKQXVSMN-SECBINFHSA-N	-1	0	310.358	0.647	20	30		DCEDRM
O=C([O-])C1(CNC(=O)C(=O)NCC#Cc2ccccc2)CCC1	ZINC000659644305	418136225	/nfs/dbraw/zinc/13/62/25/418136225.db2.gz	NUGSYPZDRTZUKE-UHFFFAOYSA-N	-1	0	314.341	0.525	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000659658695	418138958	/nfs/dbraw/zinc/13/89/58/418138958.db2.gz	BEMUKCRSYPJOTN-UHFFFAOYSA-N	-1	0	320.345	0.710	20	30		DCEDRM
C=CCOCCCNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC000656724872	418373458	/nfs/dbraw/zinc/37/34/58/418373458.db2.gz	VHRKVCAIJDNOHO-UHFFFAOYSA-N	-1	0	314.363	0.959	20	30		DCEDRM
CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccccc2C#N)cn1	ZINC000194197878	261145146	/nfs/dbraw/zinc/14/51/46/261145146.db2.gz	VDLLLHBVWXCDNC-UHFFFAOYSA-N	-1	0	319.346	0.302	20	30		DCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(OC)nc1	ZINC000194811517	261148894	/nfs/dbraw/zinc/14/88/94/261148894.db2.gz	NBFFIUBOADPTPI-UHFFFAOYSA-N	-1	0	307.335	0.979	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000417423688	262251496	/nfs/dbraw/zinc/25/14/96/262251496.db2.gz	RTLFDYZQCXRQFZ-QMMMGPOBSA-N	-1	0	300.311	0.980	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@@H](CCO)C(F)(F)F	ZINC001649986002	1173361543	/nfs/dbraw/zinc/36/15/43/1173361543.db2.gz	FPDDKIVPWDWNMW-IUCAKERBSA-N	-1	0	317.333	0.616	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000539110133	287888858	/nfs/dbraw/zinc/88/88/58/287888858.db2.gz	DHQAOKOTPLBWSY-UHFFFAOYSA-N	-1	0	304.291	0.664	20	30		DCEDRM
N#Cc1cccc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)n1	ZINC000564972633	288799207	/nfs/dbraw/zinc/79/92/07/288799207.db2.gz	LIBKOTZLOWYMNF-NSHDSACASA-N	-1	0	319.346	0.912	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000235733058	301077911	/nfs/dbraw/zinc/07/79/11/301077911.db2.gz	ZOCRRGUDSIFJTA-CYBMUJFWSA-N	-1	0	310.331	0.389	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1	ZINC000408498135	303205325	/nfs/dbraw/zinc/20/53/25/303205325.db2.gz	JYPYGNHORVDKQJ-UHTWSYAYSA-N	-1	0	318.354	0.978	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000556776204	331730723	/nfs/dbraw/zinc/73/07/23/331730723.db2.gz	XDUQMGNOFQWCTH-SSDOTTSWSA-N	-1	0	317.289	0.319	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)CC1	ZINC000576403110	331821101	/nfs/dbraw/zinc/82/11/01/331821101.db2.gz	QAQDVUMMFRRZMC-ZJUUUORDSA-N	-1	0	302.352	0.089	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C	ZINC000565056587	332515030	/nfs/dbraw/zinc/51/50/30/332515030.db2.gz	YHXCQKXQGOSPTF-JTQLQIEISA-N	-1	0	321.399	0.182	20	30		DCEDRM
C=C(C)COCCNC(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000562431952	332592774	/nfs/dbraw/zinc/59/27/74/332592774.db2.gz	XGUIJVKWUQLOIY-LBPRGKRZSA-N	-1	0	300.355	0.758	20	30		DCEDRM
CC#CCN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000294283728	335120702	/nfs/dbraw/zinc/12/07/02/335120702.db2.gz	WCUXXQAXQQLBCT-UHFFFAOYSA-N	-1	0	308.319	0.080	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)OCC)C(C)C	ZINC000497235389	333226606	/nfs/dbraw/zinc/22/66/06/333226606.db2.gz	FTRMNAUFVINPBA-JTQLQIEISA-N	-1	0	304.368	0.226	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCNC(=O)OC(C)(C)C	ZINC000497283658	333231400	/nfs/dbraw/zinc/23/14/00/333231400.db2.gz	XXMPJPTUNVUPCL-UHFFFAOYSA-N	-1	0	318.395	0.761	20	30		DCEDRM
CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000330052147	336109383	/nfs/dbraw/zinc/10/93/83/336109383.db2.gz	OPVWFMXACQRQCY-QMMMGPOBSA-N	-1	0	317.371	0.171	20	30		DCEDRM
C=CCCc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000422679206	337683320	/nfs/dbraw/zinc/68/33/20/337683320.db2.gz	SFVOXSHWXOSPSH-MRXNPFEDSA-N	-1	0	320.345	0.696	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000514733919	337969564	/nfs/dbraw/zinc/96/95/64/337969564.db2.gz	SUEZCVIETGEMGY-QWRGUYRKSA-N	-1	0	315.395	0.509	20	30		DCEDRM
C#CCN(CC)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000490985868	339845328	/nfs/dbraw/zinc/84/53/28/339845328.db2.gz	OAYUSMHJYADDCM-UHFFFAOYSA-N	-1	0	310.375	0.738	20	30		DCEDRM
C#CCN(C(=O)c1c([O-])cccc1F)[C@@H]1CCS(=O)(=O)C1	ZINC000491020468	339846153	/nfs/dbraw/zinc/84/61/53/339846153.db2.gz	GXCSRMIJHCGVTQ-SNVBAGLBSA-N	-1	0	311.334	0.794	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C\c1ccco1	ZINC000493363413	339923910	/nfs/dbraw/zinc/92/39/10/339923910.db2.gz	CDWZJZWXDROXBZ-WAYWQWQTSA-N	-1	0	312.347	0.431	20	30		DCEDRM
COC(=O)NCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000494958901	339967173	/nfs/dbraw/zinc/96/71/73/339967173.db2.gz	YBLGDALTFCNQLU-UHFFFAOYSA-N	-1	0	317.367	0.262	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCNC(=O)OC(C)(C)C	ZINC000496431757	340005305	/nfs/dbraw/zinc/00/53/05/340005305.db2.gz	BCEOFRXFYLPOGQ-UHFFFAOYSA-N	-1	0	304.368	0.371	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000496595870	340008519	/nfs/dbraw/zinc/00/85/19/340008519.db2.gz	MTYSQGYPHZUXIG-SECBINFHSA-N	-1	0	302.327	0.283	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C	ZINC000497025288	340018549	/nfs/dbraw/zinc/01/85/49/340018549.db2.gz	JQLKXNVLOKPIDN-WDEREUQCSA-N	-1	0	300.355	0.981	20	30		DCEDRM
C#CCN(CC#C)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000175714587	340417844	/nfs/dbraw/zinc/41/78/44/340417844.db2.gz	YXHWJQJRNKQCBK-UHFFFAOYSA-N	-1	0	311.366	0.931	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1cc(C(=O)[O-])co1	ZINC000517573487	340472556	/nfs/dbraw/zinc/47/25/56/340472556.db2.gz	VSQPJPPRNKTBSX-QMMMGPOBSA-N	-1	0	301.324	0.546	20	30		DCEDRM
Cc1cc(C)n(C[C@@H](NS(=O)(=O)CCCC#N)C(=O)[O-])n1	ZINC000548531173	341265823	/nfs/dbraw/zinc/26/58/23/341265823.db2.gz	SZYPISZEZPWACY-LLVKDONJSA-N	-1	0	314.367	0.176	20	30		DCEDRM
C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@H]1C(=O)[O-]	ZINC000564987414	341514338	/nfs/dbraw/zinc/51/43/38/341514338.db2.gz	VTMIORXNKZKJES-NNYUYHANSA-N	-1	0	307.350	0.364	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CCO1	ZINC000566228232	341551300	/nfs/dbraw/zinc/55/13/00/341551300.db2.gz	YRPKZWBUKMPGBM-LLVKDONJSA-N	-1	0	303.274	0.074	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000566311370	341553787	/nfs/dbraw/zinc/55/37/87/341553787.db2.gz	BSTKAWMLPMCDGW-GMTAPVOTSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@@H](Cn1nc(C)cc1C)C(=O)[O-]	ZINC000566313532	341553861	/nfs/dbraw/zinc/55/38/61/341553861.db2.gz	XOHCNOKTMKFTQC-NSHDSACASA-N	-1	0	301.368	0.449	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	ZINC001601069436	1159780189	/nfs/dbraw/zinc/78/01/89/1159780189.db2.gz	DEAGFPMBANYHAG-MRVPVSSYSA-N	-1	0	321.255	0.224	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N[C@]2(CC(=O)[O-])CCCOC2)CC1	ZINC001610620190	1159838450	/nfs/dbraw/zinc/83/84/50/1159838450.db2.gz	CFNYUVSVAARODQ-ZDUSSCGKSA-N	-1	0	316.379	0.624	20	30		DCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000261753826	526181042	/nfs/dbraw/zinc/18/10/42/526181042.db2.gz	WUWHJVCPCXHIOF-ZCFIWIBFSA-N	-1	0	304.274	0.930	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1nn(C)c2ccccc12)C(=O)[O-]	ZINC000263194618	526787747	/nfs/dbraw/zinc/78/77/47/526787747.db2.gz	LRPWZXXLNWETEL-CYBMUJFWSA-N	-1	0	317.345	0.888	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1	ZINC000248574767	526798281	/nfs/dbraw/zinc/79/82/81/526798281.db2.gz	UMQPACIVSBCWKU-AXFHLTTASA-N	-1	0	303.322	0.394	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)OC[C@H]1CCCCO1)C(=O)[O-]	ZINC000262980688	526804125	/nfs/dbraw/zinc/80/41/25/526804125.db2.gz	KRJLMPWXOKTJIX-UPJWGTAASA-N	-1	0	315.366	0.733	20	30		DCEDRM
C#CCN(CC#N)C(=O)c1cc(C)ccc1[N-]S(C)(=O)=O	ZINC000282001270	526874881	/nfs/dbraw/zinc/87/48/81/526874881.db2.gz	NMSXAAJEKQCYOW-UHFFFAOYSA-N	-1	0	305.359	0.966	20	30		DCEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)C(=O)[O-])c1	ZINC000263193264	527059182	/nfs/dbraw/zinc/05/91/82/527059182.db2.gz	ZDNHZHROOLOTQP-LBPRGKRZSA-N	-1	0	324.358	0.191	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccsc1C(=O)OC)C(=O)[O-]	ZINC000159573063	527175409	/nfs/dbraw/zinc/17/54/09/527175409.db2.gz	AVILYCMDUGTVAS-ZETCQYMHSA-N	-1	0	317.344	0.290	20	30		DCEDRM
C=CCc1ccc(OCC(=O)NC[C@@](C)(O)C(=O)[O-])c(OC)c1	ZINC000262458257	527250903	/nfs/dbraw/zinc/25/09/03/527250903.db2.gz	FLTXERBONVOUJS-MRXNPFEDSA-N	-1	0	323.345	0.754	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)C1(C#N)CCCC1)C(=O)[O-]	ZINC000263243418	528563613	/nfs/dbraw/zinc/56/36/13/528563613.db2.gz	FOMOZMDJBSIULF-NSHDSACASA-N	-1	0	309.366	0.802	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C	ZINC000263203573	528709840	/nfs/dbraw/zinc/70/98/40/528709840.db2.gz	XTUYKGQIMYFWHX-WOPDTQHZSA-N	-1	0	317.411	0.898	20	30		DCEDRM
C=CCOc1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1	ZINC000672057742	547315529	/nfs/dbraw/zinc/31/55/29/547315529.db2.gz	JTNWGPOXCBDYNU-UHFFFAOYSA-N	-1	0	302.290	0.778	20	30		DCEDRM
C=CCNC(=O)CN1CCN(c2ncccc2C(=O)[O-])CC1	ZINC000684622268	548633588	/nfs/dbraw/zinc/63/35/88/548633588.db2.gz	HDBSPGGVEVIZFZ-UHFFFAOYSA-N	-1	0	304.350	0.204	20	30		DCEDRM
CCOC(=O)CCCCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000736592696	598824729	/nfs/dbraw/zinc/82/47/29/598824729.db2.gz	TWEXYWIWNQQWHT-UHFFFAOYSA-N	-1	0	304.314	0.250	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)N[C@H](CC)C(=O)[O-])c1	ZINC000817675306	597219869	/nfs/dbraw/zinc/21/98/69/597219869.db2.gz	MZZOLRAAIVFGLY-GFCCVEGCSA-N	-1	0	304.302	0.617	20	30		DCEDRM
C[C@H](C(=O)[O-])N(C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000817753368	597467014	/nfs/dbraw/zinc/46/70/14/597467014.db2.gz	UNXPENVXUCDXEO-SNVBAGLBSA-N	-1	0	324.358	0.405	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820161871	597617369	/nfs/dbraw/zinc/61/73/69/597617369.db2.gz	UAXSMUFOCMUUFG-NZVBXONLSA-N	-1	0	323.349	0.977	20	30		DCEDRM
COc1ccc([C@@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC000820826607	597634149	/nfs/dbraw/zinc/63/41/49/597634149.db2.gz	HLCSWSSONMGVTO-WFASDCNBSA-N	-1	0	306.318	0.849	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](N2CCNC2=O)C1	ZINC000819810902	597636912	/nfs/dbraw/zinc/63/69/12/597636912.db2.gz	HJSPIFSDAUMFNK-IINYFYTJSA-N	-1	0	308.338	0.007	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](Cn2cncn2)C1	ZINC000819810725	597647794	/nfs/dbraw/zinc/64/77/94/597647794.db2.gz	FYZCDWOVAPIOFK-FZMZJTMJSA-N	-1	0	305.338	0.521	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCN1C[C@H](C)O	ZINC000820296917	597663536	/nfs/dbraw/zinc/66/35/36/597663536.db2.gz	FSWZNAKYCRENMT-YWPYICTPSA-N	-1	0	311.382	0.295	20	30		DCEDRM
CN(C)C(=O)CC1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820530648	597672647	/nfs/dbraw/zinc/67/26/47/597672647.db2.gz	YWHBPQDYSKEQJD-HNNXBMFYSA-N	-1	0	309.366	0.708	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-n2cnnn2)cc1	ZINC000819848154	598222035	/nfs/dbraw/zinc/22/20/35/598222035.db2.gz	QXLYKUMWSWBRND-ZDUSSCGKSA-N	-1	0	300.278	0.605	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(OCC(N)=O)c1	ZINC000819857044	598223204	/nfs/dbraw/zinc/22/32/04/598223204.db2.gz	QVXLCLBFBUBJIC-AWEZNQCLSA-N	-1	0	305.290	0.494	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCNC(=O)c1ccccc1F	ZINC000819841526	598224927	/nfs/dbraw/zinc/22/49/27/598224927.db2.gz	AELLXDKZFVTUMT-HNNXBMFYSA-N	-1	0	321.308	0.676	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(c2ncccc2F)C1	ZINC000819835185	598229939	/nfs/dbraw/zinc/22/99/39/598229939.db2.gz	SPXQKNJKZZATPT-BMIGLBTASA-N	-1	0	320.324	0.920	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccncc2Cl)[n-]c1-c1nn[nH]n1	ZINC000822814916	599691446	/nfs/dbraw/zinc/69/14/46/599691446.db2.gz	LIDLRDPFJSXKOT-UHFFFAOYSA-N	-1	0	315.684	0.762	20	30		DCEDRM
N#Cc1ccc(N2CC[C@H](OC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2=O)cc1	ZINC000739123425	599704622	/nfs/dbraw/zinc/70/46/22/599704622.db2.gz	QUIPRLVFAHMUGY-XQQFMLRXSA-N	-1	0	314.297	0.927	20	30		DCEDRM
N#Cc1ccccc1N1CCN(CC(=O)NCCC(=O)[O-])CC1	ZINC000739146892	599717463	/nfs/dbraw/zinc/71/74/63/599717463.db2.gz	LTMGHHWVXSYFEC-UHFFFAOYSA-N	-1	0	316.361	0.271	20	30		DCEDRM
CN(CCCC(=O)NCCNc1ncccc1C#N)C(=O)[O-]	ZINC000737425782	599741093	/nfs/dbraw/zinc/74/10/93/599741093.db2.gz	HJASQNLQKWSFRP-UHFFFAOYSA-N	-1	0	305.338	0.871	20	30		DCEDRM
C[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000736596021	599772695	/nfs/dbraw/zinc/77/26/95/599772695.db2.gz	SWMJCSITJLLRQM-SNVBAGLBSA-N	-1	0	324.358	0.310	20	30		DCEDRM
CC(C)(NC(=O)[O-])C(=O)OCC(=O)NCc1ccc(C#N)cc1	ZINC000736333282	599862393	/nfs/dbraw/zinc/86/23/93/599862393.db2.gz	PFRJIHPGZFXJAR-UHFFFAOYSA-N	-1	0	319.317	0.764	20	30		DCEDRM
C[C@H](OC(=O)CSc1ccc(C#N)cc1)C(=O)NCC(=O)[O-]	ZINC000736694542	600002777	/nfs/dbraw/zinc/00/27/77/600002777.db2.gz	XDMLGTQKJGSAEW-VIFPVBQESA-N	-1	0	322.342	0.783	20	30		DCEDRM
N#Cc1ccc(SCC(=O)OCC(=O)NCC(=O)[O-])cc1	ZINC000739133081	600002994	/nfs/dbraw/zinc/00/29/94/600002994.db2.gz	ZMJBAXBVIIMPLD-UHFFFAOYSA-N	-1	0	308.315	0.394	20	30		DCEDRM
N#CCc1ccc(OC[C@H](O)CN2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000738425131	600005030	/nfs/dbraw/zinc/00/50/30/600005030.db2.gz	BARIFMAVMSMTOX-HIFRSBDPSA-N	-1	0	320.345	0.278	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nc1	ZINC000739123043	600076007	/nfs/dbraw/zinc/07/60/07/600076007.db2.gz	LXZUAAIJQWZMLP-NWDGAFQWSA-N	-1	0	300.318	0.323	20	30		DCEDRM
C=C(Cl)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC000736094301	600328870	/nfs/dbraw/zinc/32/88/70/600328870.db2.gz	AQUSUKBSWMQKEJ-LLVKDONJSA-N	-1	0	324.720	0.734	20	30		DCEDRM
C[C@@H](CC(=O)N(CC#N)CC(=O)[O-])NC(=O)c1ccccc1	ZINC000736546444	600404301	/nfs/dbraw/zinc/40/43/01/600404301.db2.gz	WTKJXXRFJLWRTI-NSHDSACASA-N	-1	0	303.318	0.632	20	30		DCEDRM
C=CC(=O)NCc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000736096266	600406750	/nfs/dbraw/zinc/40/67/50/600406750.db2.gz	HMXGGBFVHHRFAT-UHFFFAOYSA-N	-1	0	301.302	0.539	20	30		DCEDRM
CCn1c2ccccc2n(CC(=O)N(CC#N)CC(=O)[O-])c1=O	ZINC000737293433	600408775	/nfs/dbraw/zinc/40/87/75/600408775.db2.gz	DBUHPCBBYXHESC-UHFFFAOYSA-N	-1	0	316.317	0.260	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CCN1Cc1ccccc1	ZINC000739070345	600412547	/nfs/dbraw/zinc/41/25/47/600412547.db2.gz	ZLNJRMBUIWFXDS-ILXRZTDVSA-N	-1	0	313.357	0.944	20	30		DCEDRM
COCC(=O)N1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000737736523	600564839	/nfs/dbraw/zinc/56/48/39/600564839.db2.gz	WXXVOWLISNGJKG-HNNXBMFYSA-N	-1	0	317.345	0.475	20	30		DCEDRM
C#CCSCCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000231938245	600589335	/nfs/dbraw/zinc/58/93/35/600589335.db2.gz	CPAVXWDAEWDBHE-UHFFFAOYSA-N	-1	0	313.400	0.958	20	30		DCEDRM
C#CCN1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000736079135	600592219	/nfs/dbraw/zinc/59/22/19/600592219.db2.gz	IAFLDHNZDVMBJD-UHFFFAOYSA-N	-1	0	317.301	0.684	20	30		DCEDRM
N#CCCCCS(=O)(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC000739070266	600723502	/nfs/dbraw/zinc/72/35/02/600723502.db2.gz	YNUQCLIMDCFWAR-JTQLQIEISA-N	-1	0	306.409	0.902	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000833062228	600773105	/nfs/dbraw/zinc/77/31/05/600773105.db2.gz	JXFOGGWTNLOPHF-ZETCQYMHSA-N	-1	0	302.333	0.359	20	30		DCEDRM
C=CCSCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000231937625	600775874	/nfs/dbraw/zinc/77/58/74/600775874.db2.gz	YCKYHAPFLPJKSH-UHFFFAOYSA-N	-1	0	304.393	0.921	20	30		DCEDRM
C=CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC000825687361	600863019	/nfs/dbraw/zinc/86/30/19/600863019.db2.gz	IRKMRNYAEFEOLB-UHFFFAOYSA-N	-1	0	306.274	0.412	20	30		DCEDRM
C#CCCCNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000825605816	600926025	/nfs/dbraw/zinc/92/60/25/600926025.db2.gz	QPAANKTYDCYQLV-UHFFFAOYSA-N	-1	0	303.318	0.922	20	30		DCEDRM
N#Cc1ccc(-c2nnc(Cn3nc(C(=O)[O-])ccc3=O)o2)cc1	ZINC000739101233	600987088	/nfs/dbraw/zinc/98/70/88/600987088.db2.gz	DRSRWYMHKOVSMS-UHFFFAOYSA-N	-1	0	323.268	0.911	20	30		DCEDRM
Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832972435	601004952	/nfs/dbraw/zinc/00/49/52/601004952.db2.gz	BYEXVVWSJAKWOH-UHFFFAOYSA-N	-1	0	306.278	0.752	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2ccnc(C(=O)[O-])c2)CCN1C1CC1	ZINC000833062951	601286869	/nfs/dbraw/zinc/28/68/69/601286869.db2.gz	RJRHABILXFBDGP-LBPRGKRZSA-N	-1	0	300.318	0.592	20	30		DCEDRM
N#C[C@H]1CCC[C@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000061890170	601476775	/nfs/dbraw/zinc/47/67/75/601476775.db2.gz	PCGLTLOFMQYXQP-GHMZBOCLSA-N	-1	0	301.368	0.310	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000827461306	601585006	/nfs/dbraw/zinc/58/50/06/601585006.db2.gz	SSEDKEYHLAHZCX-ZETCQYMHSA-N	-1	0	309.709	0.987	20	30		DCEDRM
COC[C@@](C)(NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000262208468	601695608	/nfs/dbraw/zinc/69/56/08/601695608.db2.gz	LGEUEFWNVQBHMY-ZUZCIYMTSA-N	-1	0	306.318	0.931	20	30		DCEDRM
C=C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000825653278	601763333	/nfs/dbraw/zinc/76/33/33/601763333.db2.gz	HYRLZPCLNTVKKA-VIFPVBQESA-N	-1	0	319.317	0.130	20	30		DCEDRM
COCCN(CCC(=O)[O-])c1ncnc2c1cnn2CCC#N	ZINC000831730031	601857258	/nfs/dbraw/zinc/85/72/58/601857258.db2.gz	QARADWPJNAWTAC-UHFFFAOYSA-N	-1	0	318.337	0.667	20	30		DCEDRM
C[C@@H](CC(=O)[O-])C(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000827263653	602116681	/nfs/dbraw/zinc/11/66/81/602116681.db2.gz	SDMAMBKZMOKFEO-NSHDSACASA-N	-1	0	302.334	0.713	20	30		DCEDRM
CN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1cccc(C#N)c1	ZINC000828086262	603472808	/nfs/dbraw/zinc/47/28/08/603472808.db2.gz	REYUSJOCIMJQIV-NSHDSACASA-N	-1	0	309.347	0.931	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000831156607	603518866	/nfs/dbraw/zinc/51/88/66/603518866.db2.gz	DVCJFWITNFJSSX-JQWIXIFHSA-N	-1	0	317.349	0.918	20	30		DCEDRM
CN(C)c1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)ccn1	ZINC000828056669	603595732	/nfs/dbraw/zinc/59/57/32/603595732.db2.gz	UKGLAZWQQOGPIF-NSHDSACASA-N	-1	0	303.322	0.476	20	30		DCEDRM
N#CCCN(CCC#N)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000831097551	603595771	/nfs/dbraw/zinc/59/57/71/603595771.db2.gz	KQSNNMPWSITEAN-LBPRGKRZSA-N	-1	0	320.353	0.173	20	30		DCEDRM
CC(C)CN(CCC#N)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000824251048	603598515	/nfs/dbraw/zinc/59/85/15/603598515.db2.gz	DSLPPAOVSSWSGD-CYBMUJFWSA-N	-1	0	323.397	0.915	20	30		DCEDRM
CC(=O)Nc1nc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cs1	ZINC000823622046	603603479	/nfs/dbraw/zinc/60/34/79/603603479.db2.gz	DLUGOMRGTXQVCC-MRVPVSSYSA-N	-1	0	323.334	0.429	20	30		DCEDRM
COC(=O)c1cccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000828793637	603604100	/nfs/dbraw/zinc/60/41/00/603604100.db2.gz	JICWWGHKUPIOPR-GFCCVEGCSA-N	-1	0	317.301	0.801	20	30		DCEDRM
N#CCN(CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O)C1CCCC1	ZINC000831097587	603605172	/nfs/dbraw/zinc/60/51/72/603605172.db2.gz	LXBLIVHEJJLZLE-CYBMUJFWSA-N	-1	0	321.381	0.812	20	30		DCEDRM
N#Cc1ccc(OCC(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)cc1	ZINC000831141747	603612179	/nfs/dbraw/zinc/61/21/79/603612179.db2.gz	MNKNUUKPTTZHQL-CYBMUJFWSA-N	-1	0	318.285	0.802	20	30		DCEDRM
N#CCN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[O-])CC1	ZINC000831102228	603627071	/nfs/dbraw/zinc/62/70/71/603627071.db2.gz	CVEKQCAVQLXAPY-IHRRRGAJSA-N	-1	0	320.393	0.965	20	30		DCEDRM
C#CCCN1CCN(C(=O)C2(CNC(=O)[O-])CCCC2)CC1	ZINC000823445011	603650031	/nfs/dbraw/zinc/65/00/31/603650031.db2.gz	TXARKHJNJSIXOK-UHFFFAOYSA-N	-1	0	307.394	0.982	20	30		DCEDRM
CN(CCCNC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000828285509	603671417	/nfs/dbraw/zinc/67/14/17/603671417.db2.gz	QFUCNTNUTAIQDE-UHFFFAOYSA-N	-1	0	322.296	0.752	20	30		DCEDRM
N#CCN1CCC(NC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])CC1	ZINC000831102804	603775551	/nfs/dbraw/zinc/77/55/51/603775551.db2.gz	VDUQMIPNJDRLOR-AAEUAGOBSA-N	-1	0	323.397	0.710	20	30		DCEDRM
C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(OCCNC(=O)[O-])c1	ZINC000823485319	603778183	/nfs/dbraw/zinc/77/81/83/603778183.db2.gz	DIZJLEDFRBWJMG-SNVBAGLBSA-N	-1	0	321.333	0.962	20	30		DCEDRM
CN(C(=O)[O-])[C@@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000827882259	603817325	/nfs/dbraw/zinc/81/73/25/603817325.db2.gz	NCAKMAIIIALDST-CQSZACIVSA-N	-1	0	316.361	0.859	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823455282	603836928	/nfs/dbraw/zinc/83/69/28/603836928.db2.gz	BPOUUSNBCDTEKB-CMPLNLGQSA-N	-1	0	304.302	0.676	20	30		DCEDRM
CN(C(=O)[O-])[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1	ZINC000827881918	603841354	/nfs/dbraw/zinc/84/13/54/603841354.db2.gz	IZOUBTSDVBNDGF-GFCCVEGCSA-N	-1	0	307.354	0.326	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823506865	603970060	/nfs/dbraw/zinc/97/00/60/603970060.db2.gz	OOTYEDMIBWGRBH-TUAOUCFPSA-N	-1	0	324.381	0.603	20	30		DCEDRM
Cc1cc(NC(=O)COC2CN(C(=O)[O-])C2)n(CCC#N)n1	ZINC000830107214	603985882	/nfs/dbraw/zinc/98/58/82/603985882.db2.gz	IKLIGBRWZAKKHT-UHFFFAOYSA-N	-1	0	307.310	0.423	20	30		DCEDRM
Cc1cc(C)n(CCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000830016293	604077881	/nfs/dbraw/zinc/07/78/81/604077881.db2.gz	DMGFRQBMUALJEM-LBPRGKRZSA-N	-1	0	305.338	0.604	20	30		DCEDRM
C[C@H](OC[C@H]1CCCO1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825612082	604079179	/nfs/dbraw/zinc/07/91/79/604079179.db2.gz	QIGNVGARGHXJDR-QJPTWQEYSA-N	-1	0	311.338	0.285	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1nccn2ccnc12	ZINC000831092282	604080828	/nfs/dbraw/zinc/08/08/28/604080828.db2.gz	RMYZSRFYAPLAPT-SECBINFHSA-N	-1	0	300.278	0.057	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CSCCS1	ZINC000831077177	604081525	/nfs/dbraw/zinc/08/15/25/604081525.db2.gz	XDJVABXSLUQPRW-RKDXNWHRSA-N	-1	0	301.393	0.549	20	30		DCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC000824861535	604121457	/nfs/dbraw/zinc/12/14/57/604121457.db2.gz	HJVJTDVKRZIGKZ-SNVBAGLBSA-N	-1	0	305.338	0.727	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)NCC[C@@H](C)NC(=O)[O-])c1C#N	ZINC000830510724	604127123	/nfs/dbraw/zinc/12/71/23/604127123.db2.gz	BERNTLYPNHYBME-SNVBAGLBSA-N	-1	0	318.333	0.968	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])c1	ZINC000823474784	604192482	/nfs/dbraw/zinc/19/24/82/604192482.db2.gz	RAMSJZZKMKAOLU-CYBMUJFWSA-N	-1	0	315.329	0.865	20	30		DCEDRM
COCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000828993035	604219281	/nfs/dbraw/zinc/21/92/81/604219281.db2.gz	VIWGVLXQXLDJFS-GMTAPVOTSA-N	-1	0	311.338	0.284	20	30		DCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)N[C@@](C)(C#N)C(C)C	ZINC000827016619	604401675	/nfs/dbraw/zinc/40/16/75/604401675.db2.gz	QOMLGNVEAUCCOW-DOMZBBRYSA-N	-1	0	313.398	0.851	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(c2ncc([N+](=O)[O-])cc2C#N)CCO1	ZINC000825372754	604450648	/nfs/dbraw/zinc/45/06/48/604450648.db2.gz	QZTIJIIKNQMDSN-GZMMTYOYSA-N	-1	0	321.293	0.723	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823500676	604615145	/nfs/dbraw/zinc/61/51/45/604615145.db2.gz	JYDWFPQOJXFEIL-CHWSQXEVSA-N	-1	0	311.382	0.544	20	30		DCEDRM
C#CCNC(=S)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000833365097	604676689	/nfs/dbraw/zinc/67/66/89/604676689.db2.gz	BRBFMXYOACAQOU-SECBINFHSA-N	-1	0	323.399	0.649	20	30		DCEDRM
N#Cc1csc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1	ZINC000833079104	604701259	/nfs/dbraw/zinc/70/12/59/604701259.db2.gz	TXTBKIYPLWGXGL-UHFFFAOYSA-N	-1	0	306.303	0.695	20	30		DCEDRM
N#Cc1ccc(CC(=O)OCCc2cn(CC(=O)[O-])nn2)cc1	ZINC000833073222	604702529	/nfs/dbraw/zinc/70/25/29/604702529.db2.gz	XPQXUMPYZQXCGU-UHFFFAOYSA-N	-1	0	314.301	0.563	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc(C#N)cn2)CCO1	ZINC000825337561	604705225	/nfs/dbraw/zinc/70/52/25/604705225.db2.gz	YPJFRHYQVDMGIL-BXKDBHETSA-N	-1	0	304.306	0.450	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)c1	ZINC000833369022	604735976	/nfs/dbraw/zinc/73/59/76/604735976.db2.gz	ZOVQVOMAKXXXBH-UHFFFAOYSA-N	-1	0	316.313	0.045	20	30		DCEDRM
C=CCCS(=O)(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823501463	604765154	/nfs/dbraw/zinc/76/51/54/604765154.db2.gz	XHMTUOZPYWIOPV-UWVGGRQHSA-N	-1	0	306.384	0.985	20	30		DCEDRM
CCN(CCNC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000827129114	604813173	/nfs/dbraw/zinc/81/31/73/604813173.db2.gz	CDADBKDOKSVYFJ-UHFFFAOYSA-N	-1	0	304.302	0.883	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)c(F)c1	ZINC000819100656	604828472	/nfs/dbraw/zinc/82/84/72/604828472.db2.gz	XUADYGIBPFWTKB-UHFFFAOYSA-N	-1	0	319.292	0.959	20	30		DCEDRM
O=C([O-])NC[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C1CC1	ZINC000832421873	604862453	/nfs/dbraw/zinc/86/24/53/604862453.db2.gz	OYIBSIFVBLYPBX-GFCCVEGCSA-N	-1	0	316.313	0.929	20	30		DCEDRM
C=CCOc1cccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000833379015	605034186	/nfs/dbraw/zinc/03/41/86/605034186.db2.gz	UGGFXYSFASDPRU-UHFFFAOYSA-N	-1	0	319.317	0.668	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000833371534	605093523	/nfs/dbraw/zinc/09/35/23/605093523.db2.gz	UKVAZPWAEIWEIW-LLVKDONJSA-N	-1	0	320.345	0.933	20	30		DCEDRM
CC(C)(CC(=O)[O-])CC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000833453511	605110137	/nfs/dbraw/zinc/11/01/37/605110137.db2.gz	XAJAYRAJNCKGMD-BUHFOSPRSA-N	-1	0	323.349	0.520	20	30		DCEDRM
CS(=O)(=O)CCNN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000733204792	605151882	/nfs/dbraw/zinc/15/18/82/605151882.db2.gz	ZTETXQYYOZWDFJ-UHFFFAOYSA-N	-1	0	300.336	0.118	20	30		DCEDRM
N#CCCN(Cc1cccnc1)CN1C[C@@H](C(=O)[O-])CC1=O	ZINC000833759985	605169781	/nfs/dbraw/zinc/16/97/81/605169781.db2.gz	CVYXYXBOJLSEGV-ZDUSSCGKSA-N	-1	0	302.334	0.688	20	30		DCEDRM
Cn1ncc2c1nc(N=NCC1CCN(C(=O)[O-])CC1)[n-]c2=O	ZINC000831054311	605172373	/nfs/dbraw/zinc/17/23/73/605172373.db2.gz	BIHPJFJWJTYONM-UHFFFAOYSA-N	-1	0	319.325	0.857	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC000833376945	605215517	/nfs/dbraw/zinc/21/55/17/605215517.db2.gz	GYVJIDCMVORKEK-UHFFFAOYSA-N	-1	0	309.322	0.730	20	30		DCEDRM
CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1	ZINC000833414755	605271335	/nfs/dbraw/zinc/27/13/35/605271335.db2.gz	NYVFGZYYLLDWJI-SNVBAGLBSA-N	-1	0	305.338	0.499	20	30		DCEDRM
CCN(CCNC(=O)C(=O)Nc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000827130505	605359352	/nfs/dbraw/zinc/35/93/52/605359352.db2.gz	ZERFZWANGHYOOH-UHFFFAOYSA-N	-1	0	322.296	0.752	20	30		DCEDRM
N#CCCN(C(=O)CNC(=O)CNC(=O)[O-])c1ccc(F)cc1	ZINC000833965646	605379748	/nfs/dbraw/zinc/37/97/48/605379748.db2.gz	PQSYYQYDKHRLPM-UHFFFAOYSA-N	-1	0	322.296	0.456	20	30		DCEDRM
N#C[C@H]1CN(C(=O)CC[C@@H]2CCN(C(=O)[O-])C2)CCN1C1CC1	ZINC000833965631	605467087	/nfs/dbraw/zinc/46/70/87/605467087.db2.gz	CIGXNKXTUVFLRW-OCCSQVGLSA-N	-1	0	320.393	0.965	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000833366437	605498976	/nfs/dbraw/zinc/49/89/76/605498976.db2.gz	WZEOGCFQXVRZGC-UHFFFAOYSA-N	-1	0	319.317	0.505	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000833366334	605499398	/nfs/dbraw/zinc/49/93/98/605499398.db2.gz	RKKIQIRLQGKHFA-UHFFFAOYSA-N	-1	0	304.302	0.398	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CCN(S(=O)(=O)N(C)CCC#N)C1	ZINC000833816227	605514551	/nfs/dbraw/zinc/51/45/51/605514551.db2.gz	INLZNLJVDMKLSK-UWVGGRQHSA-N	-1	0	304.372	0.055	20	30		DCEDRM
COC[C@@H](C#N)OC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000833882434	605640511	/nfs/dbraw/zinc/64/05/11/605640511.db2.gz	NWPINNRBMZSEPW-SNVBAGLBSA-N	-1	0	323.309	0.288	20	30		DCEDRM
C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cnc(C(=O)[O-])cn1	ZINC000833375349	605641846	/nfs/dbraw/zinc/64/18/46/605641846.db2.gz	SFFOGRPNKZMLHT-SNVBAGLBSA-N	-1	0	319.317	0.921	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)CSCC#N)[C@@H](C(=O)[O-])C1	ZINC000833707112	605650656	/nfs/dbraw/zinc/65/06/56/605650656.db2.gz	FDMDQPRHISDSQI-RKDXNWHRSA-N	-1	0	300.336	0.108	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)CSCC#N)[C@H](C(=O)[O-])C1	ZINC000833707111	605650889	/nfs/dbraw/zinc/65/08/89/605650889.db2.gz	FDMDQPRHISDSQI-IUCAKERBSA-N	-1	0	300.336	0.108	20	30		DCEDRM
N#Cc1cccc(C(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1	ZINC000833977321	605722697	/nfs/dbraw/zinc/72/26/97/605722697.db2.gz	QJBQLGRCHMOTSB-NWDGAFQWSA-N	-1	0	318.285	0.397	20	30		DCEDRM
CC(C)[C@@H](CCN(C)C(=O)Cn1cnc(C#N)n1)NC(=O)[O-]	ZINC000824078341	605768887	/nfs/dbraw/zinc/76/88/87/605768887.db2.gz	JJDRMVYHIYYXRL-SNVBAGLBSA-N	-1	0	308.342	0.290	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCn2cncc2C1	ZINC000833965423	605843447	/nfs/dbraw/zinc/84/34/47/605843447.db2.gz	AMEHSIZXWJYUJU-ZYHUDNBSSA-N	-1	0	303.322	0.160	20	30		DCEDRM
CN(CCNS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000833873435	605845459	/nfs/dbraw/zinc/84/54/59/605845459.db2.gz	WWYBAUDRBLIWNH-UHFFFAOYSA-N	-1	0	301.299	0.585	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)CN1CCCCC[C@H]1C(=O)[O-]	ZINC000316140499	605849178	/nfs/dbraw/zinc/84/91/78/605849178.db2.gz	KLVOHIXJWKFNIT-ZDUSSCGKSA-N	-1	0	306.366	0.972	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000833366944	605922116	/nfs/dbraw/zinc/92/21/16/605922116.db2.gz	MEJCVUJZCSKISG-UHFFFAOYSA-N	-1	0	324.333	0.945	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1cnc2c(c1)CN(C(=O)[O-])CC2	ZINC000833787528	605933858	/nfs/dbraw/zinc/93/38/58/605933858.db2.gz	SPIXCPFBZOIKBY-UHFFFAOYSA-N	-1	0	316.317	0.196	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc3n[nH]cc3c2)[n-]c1-c1nn[nH]n1	ZINC000822814904	606114623	/nfs/dbraw/zinc/11/46/23/606114623.db2.gz	LCFKGZCSYNVVIQ-UHFFFAOYSA-N	-1	0	320.276	0.590	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1ccc(F)cc1F	ZINC000822815631	606627890	/nfs/dbraw/zinc/62/78/90/606627890.db2.gz	VCIZHEAGUMBNPP-UHFFFAOYSA-N	-1	0	302.248	0.844	20	30		DCEDRM
CC[C@H]1C[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCO1	ZINC000825184649	609146768	/nfs/dbraw/zinc/14/67/68/609146768.db2.gz	XJZBSSDHPKKPKC-YUMQZZPRSA-N	-1	0	316.325	0.605	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1ccc2c(c1)COC2	ZINC000826383198	609310194	/nfs/dbraw/zinc/31/01/94/609310194.db2.gz	ORZBQWUXPHGGHB-UHFFFAOYSA-N	-1	0	308.305	0.596	20	30		DCEDRM
C[C@@H]1CO[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000892411962	658352104	/nfs/dbraw/zinc/35/21/04/658352104.db2.gz	SFLROWMNAJJFHH-GWCFXTLKSA-N	-1	0	308.359	0.929	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000092479680	658631670	/nfs/dbraw/zinc/63/16/70/658631670.db2.gz	JFUAVXNIMQYGSW-UHFFFAOYSA-N	-1	0	313.331	0.412	20	30		DCEDRM
C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001039401794	658709319	/nfs/dbraw/zinc/70/93/19/658709319.db2.gz	SGVDQZDPZVNYTD-ZJUUUORDSA-N	-1	0	305.338	0.148	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)N(C)CCC(=O)OCC	ZINC000893422802	659127288	/nfs/dbraw/zinc/12/72/88/659127288.db2.gz	KKFVUVFAABNQLS-UHFFFAOYSA-N	-1	0	304.368	0.036	20	30		DCEDRM
C=CCn1cccc1C(=O)N[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1	ZINC000973383807	659264053	/nfs/dbraw/zinc/26/40/53/659264053.db2.gz	RCIZLOLMFIILCA-XYPYZODXSA-N	-1	0	314.349	0.483	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(-n2cnnn2)c1	ZINC000124510667	659766792	/nfs/dbraw/zinc/76/67/92/659766792.db2.gz	PMYCPZIOZDVFTK-ZDUSSCGKSA-N	-1	0	310.317	0.607	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@H](C)C#N)c1[O-]	ZINC000977567991	659770398	/nfs/dbraw/zinc/77/03/98/659770398.db2.gz	FEWWIIVIBFCWOY-PSASIEDQSA-N	-1	0	305.338	0.256	20	30		DCEDRM
CCCCS(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1	ZINC000048518529	661924170	/nfs/dbraw/zinc/92/41/70/661924170.db2.gz	PEBIDBXNHCBSRH-UHFFFAOYSA-N	-1	0	306.384	0.712	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COc2ccc(F)cc2)CC1	ZINC000793205887	662058291	/nfs/dbraw/zinc/05/82/91/662058291.db2.gz	SKZOJUVYAZDEDR-UHFFFAOYSA-N	-1	0	312.322	0.954	20	30		DCEDRM
COc1cc(OCC(=O)[N-]S(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000049302235	662091423	/nfs/dbraw/zinc/09/14/23/662091423.db2.gz	XCVPGQPICXBYQB-UHFFFAOYSA-N	-1	0	304.280	0.898	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000022366950	662493181	/nfs/dbraw/zinc/49/31/81/662493181.db2.gz	FWGSXAUKKVQKJW-SNVBAGLBSA-N	-1	0	324.358	0.353	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)c1[O-]	ZINC000987601265	662689149	/nfs/dbraw/zinc/68/91/49/662689149.db2.gz	FRGOYBCJSSWQIZ-PWSUYJOCSA-N	-1	0	316.361	0.556	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC000988296978	662748672	/nfs/dbraw/zinc/74/86/72/662748672.db2.gz	RLHACYLUVVXEJL-ONGXEEELSA-N	-1	0	319.365	0.504	20	30		DCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)C[C@H]2CCCCO2)C1	ZINC000899929252	663201373	/nfs/dbraw/zinc/20/13/73/663201373.db2.gz	APCBBFBLURZIJX-CHWSQXEVSA-N	-1	0	315.391	0.685	20	30		DCEDRM
C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)C1	ZINC000899929236	663201442	/nfs/dbraw/zinc/20/14/42/663201442.db2.gz	ACAPSPRDSPWPHQ-STQMWFEESA-N	-1	0	314.407	0.763	20	30		DCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)c2cnc3n2CCC3)C1	ZINC000899927164	663201512	/nfs/dbraw/zinc/20/15/12/663201512.db2.gz	TUUDZKMSARJYBY-NSHDSACASA-N	-1	0	323.374	0.318	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc(OC)c1OC	ZINC000899921076	663201731	/nfs/dbraw/zinc/20/17/31/663201731.db2.gz	HEAYABHEPKCKDP-UHFFFAOYSA-N	-1	0	315.347	0.965	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000902482612	663416785	/nfs/dbraw/zinc/41/67/85/663416785.db2.gz	AETWQBVFQSMZIT-MRXNPFEDSA-N	-1	0	317.345	0.697	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)C1	ZINC000907129699	663669801	/nfs/dbraw/zinc/66/98/01/663669801.db2.gz	WXZNKASKXBJFHN-UHFFFAOYSA-N	-1	0	309.343	0.370	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C(F)F)n(C)n1)C(=O)[O-]	ZINC000907668978	663710984	/nfs/dbraw/zinc/71/09/84/663710984.db2.gz	FWPLKKRYRRIQLE-MRVPVSSYSA-N	-1	0	303.265	0.743	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)NCCc1cn(C)cn1)C(=O)[O-]	ZINC000909024783	663779695	/nfs/dbraw/zinc/77/96/95/663779695.db2.gz	JNNJLHSMWUUUDZ-SNVBAGLBSA-N	-1	0	300.746	0.858	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)NC[C@]1(OC)CCOC1)C(=O)[O-]	ZINC000909190462	663786070	/nfs/dbraw/zinc/78/60/70/663786070.db2.gz	OTZHROQOQKGAQS-BXUZGUMPSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)NC[C@@]1(OC)CCOC1)C(=O)[O-]	ZINC000909191250	663786106	/nfs/dbraw/zinc/78/61/06/663786106.db2.gz	RDWCVGRZVKSVAH-CABZTGNLSA-N	-1	0	306.746	0.687	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC000909764666	663799979	/nfs/dbraw/zinc/79/99/79/663799979.db2.gz	ZJOZSBJROBLURK-GWCFXTLKSA-N	-1	0	318.295	0.950	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cn1cc(C)c(C(F)(F)F)n1)C(=O)[O-]	ZINC000910049029	663840439	/nfs/dbraw/zinc/84/04/39/663840439.db2.gz	RMEDRNVFMGZIRC-MRVPVSSYSA-N	-1	0	303.240	0.803	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC000910266799	663861871	/nfs/dbraw/zinc/86/18/71/663861871.db2.gz	OWJXOLUMMKJFCN-UWVGGRQHSA-N	-1	0	312.757	0.861	20	30		DCEDRM
C=CCN(CC(=O)[O-])c1cc(N2CCCC[C@@H]2CO)ncn1	ZINC000910394776	663879192	/nfs/dbraw/zinc/87/91/92/663879192.db2.gz	BTMJEFCZXBAUHQ-GFCCVEGCSA-N	-1	0	306.366	0.905	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000910441740	663883340	/nfs/dbraw/zinc/88/33/40/663883340.db2.gz	NQHFZXZZPODNHX-QWRGUYRKSA-N	-1	0	322.292	0.969	20	30		DCEDRM
C=CCCC[C@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-]	ZINC000910911190	663955603	/nfs/dbraw/zinc/95/56/03/663955603.db2.gz	CCDWDJZNGDBOHA-QMMMGPOBSA-N	-1	0	310.272	0.981	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-]	ZINC000910911189	663955799	/nfs/dbraw/zinc/95/57/99/663955799.db2.gz	CCDWDJZNGDBOHA-MRVPVSSYSA-N	-1	0	310.272	0.981	20	30		DCEDRM
C=C[C@@H](O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-]	ZINC000911148749	663993140	/nfs/dbraw/zinc/99/31/40/663993140.db2.gz	ITCSAQXBFQSDMF-CYBMUJFWSA-N	-1	0	306.318	0.707	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)nn1	ZINC000911166662	663996820	/nfs/dbraw/zinc/99/68/20/663996820.db2.gz	OGXKLIBJIDHBSD-QMMMGPOBSA-N	-1	0	306.244	0.990	20	30		DCEDRM
C=CCN(C(=O)c1ccc(-c2nn[nH]n2)cn1)[C@@H](C)COC	ZINC000912313659	664161378	/nfs/dbraw/zinc/16/13/78/664161378.db2.gz	IHJQACUQTFOVRR-JTQLQIEISA-N	-1	0	302.338	0.925	20	30		DCEDRM
O=C([N-]CCS(=O)(=O)C(F)(F)F)C(F)(F)C(F)F	ZINC000912432850	664172406	/nfs/dbraw/zinc/17/24/06/664172406.db2.gz	BPLZVWSNNDURPR-UHFFFAOYSA-N	-1	0	305.171	0.938	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CN(CC#Cc3ccccc3)C2)c1[O-]	ZINC001030223743	664479697	/nfs/dbraw/zinc/47/96/97/664479697.db2.gz	FOMVVTASSNHOEB-UHFFFAOYSA-N	-1	0	310.357	0.889	20	30		DCEDRM
COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000914375567	664774953	/nfs/dbraw/zinc/77/49/53/664774953.db2.gz	GNUQPHQOJKHQLU-SSDOTTSWSA-N	-1	0	316.301	0.950	20	30		DCEDRM
N#CCOc1cccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC000730527417	664785211	/nfs/dbraw/zinc/78/52/11/664785211.db2.gz	HBHJXFVYKIYUEA-UHFFFAOYSA-N	-1	0	324.300	0.612	20	30		DCEDRM
Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)ccc1-n1cnnn1	ZINC000916870471	665097961	/nfs/dbraw/zinc/09/79/61/665097961.db2.gz	BTXHZEIHCCRPKX-CYBMUJFWSA-N	-1	0	324.344	0.916	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn2ccc(C)cc2n1	ZINC000916891638	665099386	/nfs/dbraw/zinc/09/93/86/665099386.db2.gz	DBXHZBUZJBTIBR-NSHDSACASA-N	-1	0	300.318	0.728	20	30		DCEDRM
N#CCN1CC=C(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC001001372351	666043700	/nfs/dbraw/zinc/04/37/00/666043700.db2.gz	UTRYQOZQEBXHBK-UHFFFAOYSA-N	-1	0	313.317	0.814	20	30		DCEDRM
N#Cc1ccc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)[nH]1	ZINC001002620660	666197419	/nfs/dbraw/zinc/19/74/19/666197419.db2.gz	NYUBIIVBZZMXCT-UHFFFAOYSA-N	-1	0	315.337	0.104	20	30		DCEDRM
N#Cc1ccc(CCC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc1	ZINC000733723168	666808240	/nfs/dbraw/zinc/80/82/40/666808240.db2.gz	KRUATCHBFJXNGO-CYBMUJFWSA-N	-1	0	308.359	0.726	20	30		DCEDRM
CCN(C(=O)c1c[n-]n2c1nccc2=O)[C@H]1CCN(CC#N)C1	ZINC001033981993	666885442	/nfs/dbraw/zinc/88/54/42/666885442.db2.gz	NHKYKUSUDXJHJO-NSHDSACASA-N	-1	0	314.349	0.083	20	30		DCEDRM
CCN(C(=O)c1c[n-]n2c1nccc2=O)[C@@H]1CCN(CC#N)C1	ZINC001033981990	666885849	/nfs/dbraw/zinc/88/58/49/666885849.db2.gz	NHKYKUSUDXJHJO-LLVKDONJSA-N	-1	0	314.349	0.083	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000861456470	666930161	/nfs/dbraw/zinc/93/01/61/666930161.db2.gz	YGVBIHHLJRFATN-MNOVXSKESA-N	-1	0	318.395	0.339	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)CCC)C1	ZINC000788067591	666940523	/nfs/dbraw/zinc/94/05/23/666940523.db2.gz	HHQNVMRIJDTMOM-LBPRGKRZSA-N	-1	0	314.407	0.494	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C	ZINC000862132707	667020880	/nfs/dbraw/zinc/02/08/80/667020880.db2.gz	KISGBWTZGSLTHQ-STQMWFEESA-N	-1	0	322.365	0.332	20	30		DCEDRM
O=[N+]([O-])c1cc(C=NN[C@@H]2CCCS(=O)(=O)C2)ccc1[O-]	ZINC000863129607	667113086	/nfs/dbraw/zinc/11/30/86/667113086.db2.gz	MIEVHNDNUQKMID-SNVBAGLBSA-N	-1	0	313.335	0.801	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000863408268	667140182	/nfs/dbraw/zinc/14/01/82/667140182.db2.gz	NMPWLWPZAZZYDV-GFCCVEGCSA-N	-1	0	310.331	0.463	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)c1cccc(C)c1C#N)C(=O)[O-]	ZINC000863411412	667140647	/nfs/dbraw/zinc/14/06/47/667140647.db2.gz	XKYPSJUKUXZPKX-NSHDSACASA-N	-1	0	310.331	0.577	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000863789554	667182094	/nfs/dbraw/zinc/18/20/94/667182094.db2.gz	PAEYAELNZUENTA-JTQLQIEISA-N	-1	0	316.317	0.594	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C3(C(F)F)CC3)C2)c(=O)[n-]c1=O	ZINC000863935322	667195217	/nfs/dbraw/zinc/19/52/17/667195217.db2.gz	WKRWNAGLMHJZPD-UHFFFAOYSA-N	-1	0	310.260	0.249	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)[O-]	ZINC000864186066	667222925	/nfs/dbraw/zinc/22/29/25/667222925.db2.gz	IIQFRPLGYCFMMT-DTWKUNHWSA-N	-1	0	309.771	0.666	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)/C=C/c1cncc(C(=O)NC)c1)C(=O)[O-]	ZINC000864188329	667222980	/nfs/dbraw/zinc/22/29/80/667222980.db2.gz	SPVHLTWQSMYPIZ-IHVVCDCBSA-N	-1	0	317.345	0.990	20	30		DCEDRM
COC[C@H](C)NC(=S)N1CCc2[n-]c(=O)c(C#N)cc2C1	ZINC000865250775	667315810	/nfs/dbraw/zinc/31/58/10/667315810.db2.gz	JGFZYYDAUGUBSF-VIFPVBQESA-N	-1	0	306.391	0.926	20	30		DCEDRM
C=CCN1CCC(NS(=O)(=O)N=[S@](C)(=O)CC)CC1	ZINC000866744439	667393361	/nfs/dbraw/zinc/39/33/61/667393361.db2.gz	KTUBCDBNDKLVHD-GOSISDBHSA-N	-1	0	309.457	0.589	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001035670033	667400055	/nfs/dbraw/zinc/40/00/55/667400055.db2.gz	AWAIXJRTOMXMDK-SNVBAGLBSA-N	-1	0	304.354	0.094	20	30		DCEDRM
N#C[C@]1(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CCCOC1	ZINC000923072269	667460530	/nfs/dbraw/zinc/46/05/30/667460530.db2.gz	FNJONHBZISXODS-NILFDRSVSA-N	-1	0	308.334	0.256	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@]2(C#N)CCCOC2)C1	ZINC000923084348	667460781	/nfs/dbraw/zinc/46/07/81/667460781.db2.gz	YHUIJYQHUGQNIA-LSDHHAIUSA-N	-1	0	310.350	0.647	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)C2CN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001005917012	667461085	/nfs/dbraw/zinc/46/10/85/667461085.db2.gz	JSYSLHQUUGICFS-HTQZYQBOSA-N	-1	0	305.338	0.160	20	30		DCEDRM
CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1	ZINC000923104806	667462149	/nfs/dbraw/zinc/46/21/49/667462149.db2.gz	ZIOKNOLSWBZTTQ-HNNXBMFYSA-N	-1	0	309.366	0.314	20	30		DCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2ccc([O-])c([N+](=O)[O-])c2)c1=O	ZINC000134529868	667545608	/nfs/dbraw/zinc/54/56/08/667545608.db2.gz	XLTHZWOBIZRBDX-DUXPYHPUSA-N	-1	0	317.257	0.584	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1nc(-c2ncccn2)no1	ZINC000737527648	667615872	/nfs/dbraw/zinc/61/58/72/667615872.db2.gz	ZZTFFOARXVOTKE-UHFFFAOYSA-N	-1	0	317.305	0.558	20	30		DCEDRM
N#Cc1ccc(CCC(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1	ZINC000737712521	667631424	/nfs/dbraw/zinc/63/14/24/667631424.db2.gz	QSBWGFSAYXBLDW-CYBMUJFWSA-N	-1	0	312.333	0.604	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCOC[C@H]1CCCO1	ZINC000122658112	667668561	/nfs/dbraw/zinc/66/85/61/667668561.db2.gz	OXELPBDJZVJCJV-NEPJUHHUSA-N	-1	0	305.334	0.897	20	30		DCEDRM
COCC1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCCC1	ZINC000838972265	667722394	/nfs/dbraw/zinc/72/23/94/667722394.db2.gz	ROFJYMPMRDXRRN-UHFFFAOYSA-N	-1	0	323.374	0.965	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1)OCC	ZINC000839017931	667726619	/nfs/dbraw/zinc/72/66/19/667726619.db2.gz	YJTRIVBAVUJYQZ-LLVKDONJSA-N	-1	0	315.395	0.905	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000839019516	667727144	/nfs/dbraw/zinc/72/71/44/667727144.db2.gz	KDRAFTLGZPIKIP-CYBMUJFWSA-N	-1	0	315.395	0.762	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2C(C)=O)CC1	ZINC000870370015	667734751	/nfs/dbraw/zinc/73/47/51/667734751.db2.gz	QNHGOUSGPKBFTP-LLVKDONJSA-N	-1	0	300.380	0.552	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)CCC)CC1	ZINC000870832941	667765068	/nfs/dbraw/zinc/76/50/68/667765068.db2.gz	ILADKDUGOSKBIP-NSHDSACASA-N	-1	0	314.407	0.942	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)C(C)(C)C)CC1	ZINC000870837324	667765475	/nfs/dbraw/zinc/76/54/75/667765475.db2.gz	HKMOAINCWGKTNN-SNVBAGLBSA-N	-1	0	302.396	0.702	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccn(CC(F)F)n2)CC1	ZINC000870836448	667765541	/nfs/dbraw/zinc/76/55/41/667765541.db2.gz	AIKMGZJACSKKIU-UHFFFAOYSA-N	-1	0	305.306	0.926	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000744093922	667820274	/nfs/dbraw/zinc/82/02/74/667820274.db2.gz	RATJMZOHWDWHLW-LBPRGKRZSA-N	-1	0	305.396	0.984	20	30		DCEDRM
C#CCSCCNS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000871887423	667855017	/nfs/dbraw/zinc/85/50/17/667855017.db2.gz	QAJNKTOOGIHZSV-UHFFFAOYSA-N	-1	0	313.400	0.958	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC000871973336	667860892	/nfs/dbraw/zinc/86/08/92/667860892.db2.gz	TYSIPLOEBZEITN-SNVBAGLBSA-N	-1	0	313.331	0.617	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC000871973335	667861243	/nfs/dbraw/zinc/86/12/43/667861243.db2.gz	TYSIPLOEBZEITN-JTQLQIEISA-N	-1	0	313.331	0.617	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)C[C@@H](OC)C1CC1)C(=O)[O-]	ZINC000871995753	667864693	/nfs/dbraw/zinc/86/46/93/667864693.db2.gz	GQBQUKQWXWQGFZ-VHSXEESVSA-N	-1	0	311.787	0.927	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CC[C@](COC)(C(=O)[O-])C2)nc1	ZINC000873063635	667969036	/nfs/dbraw/zinc/96/90/36/667969036.db2.gz	BHUHEHKTOCJFPI-INIZCTEOSA-N	-1	0	317.345	0.372	20	30		DCEDRM
C[C@H](C#N)CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1	ZINC000754175374	668042317	/nfs/dbraw/zinc/04/23/17/668042317.db2.gz	PXXWRNKDELXBDJ-SECBINFHSA-N	-1	0	300.322	0.222	20	30		DCEDRM
Cc1cc(C)n2c(C=Nn3c(=O)c(C)n[n-]c3=S)cnc2n1	ZINC000755511105	668061610	/nfs/dbraw/zinc/06/16/10/668061610.db2.gz	NZDZHVGNWQNUDR-UHFFFAOYSA-N	-1	0	315.362	0.777	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1	ZINC000874860040	668228124	/nfs/dbraw/zinc/22/81/24/668228124.db2.gz	OLXZNABXKFWVET-AULYBMBSSA-N	-1	0	310.361	0.997	20	30		DCEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CSCC#N)cn1	ZINC000759826031	668240994	/nfs/dbraw/zinc/24/09/94/668240994.db2.gz	XQIURRZNCHBZAC-UHFFFAOYSA-N	-1	0	301.349	0.152	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1coc(C(N)=O)c1	ZINC000760197382	668262159	/nfs/dbraw/zinc/26/21/59/668262159.db2.gz	JYKOXYCEUBVKBT-JTQLQIEISA-N	-1	0	307.306	0.244	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)CN2CCCC2=O)n1	ZINC000925276391	668288116	/nfs/dbraw/zinc/28/81/16/668288116.db2.gz	PBSJZSBMGQWMRA-SNVBAGLBSA-N	-1	0	321.358	0.793	20	30		DCEDRM
COC(=O)c1ccc(/C=C/C(=O)c2cnc([O-])n(C)c2=O)o1	ZINC000761806316	668336955	/nfs/dbraw/zinc/33/69/55/668336955.db2.gz	XTSUQRUKISVQBT-HWKANZROSA-N	-1	0	304.258	0.762	20	30		DCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000764153027	668435797	/nfs/dbraw/zinc/43/57/97/668435797.db2.gz	SJTODMADGIUZRO-NSHDSACASA-N	-1	0	310.375	0.776	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C/c2cn(C3CC3)cn2)c(=O)n(C)c1=O	ZINC000876498174	668456611	/nfs/dbraw/zinc/45/66/11/668456611.db2.gz	QOSHLYNMGGRYOV-ZZXKWVIFSA-N	-1	0	316.317	0.217	20	30		DCEDRM
O=C1N=C(NN=Cc2cc(Cl)c([O-])cc2Cl)NC1=O	ZINC000765592504	668501394	/nfs/dbraw/zinc/50/13/94/668501394.db2.gz	HKWCVXPYQLSQAL-UHFFFAOYSA-N	-1	0	301.089	0.635	20	30		DCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000765648242	668503103	/nfs/dbraw/zinc/50/31/03/668503103.db2.gz	DJPZOEFFGZKXKU-UHFFFAOYSA-N	-1	0	318.358	0.729	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccnn2C)cc1	ZINC000765644189	668503275	/nfs/dbraw/zinc/50/32/75/668503275.db2.gz	ZOBBJHLRLIKJKS-UHFFFAOYSA-N	-1	0	319.342	0.551	20	30		DCEDRM
C=CCCC[C@H](NC(=O)NCCO[C@H]1CCOC1)C(=O)[O-]	ZINC000929017354	668644895	/nfs/dbraw/zinc/64/48/95/668644895.db2.gz	QSOKWLPAXKFWBC-RYUDHWBXSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=C(C)CN(CC)C(=O)COC(=O)c1cc(=O)[n-]c(OC)n1	ZINC000770511357	668697579	/nfs/dbraw/zinc/69/75/79/668697579.db2.gz	MHBDRSSYUPBCCS-UHFFFAOYSA-N	-1	0	309.322	0.772	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CC(=O)N(C2CC2)C1	ZINC000770868727	668720659	/nfs/dbraw/zinc/72/06/59/668720659.db2.gz	OLMGLCXGJPGYNM-KOLCDFICSA-N	-1	0	300.318	0.323	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COC2CCOCC2)CCC1	ZINC000771078441	668730137	/nfs/dbraw/zinc/73/01/37/668730137.db2.gz	SVPKEWLLIGOPSC-UHFFFAOYSA-N	-1	0	316.379	0.322	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C	ZINC000772713737	668782044	/nfs/dbraw/zinc/78/20/44/668782044.db2.gz	VUHKJYYJHNQIHE-SECBINFHSA-N	-1	0	323.374	0.709	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1COc2ccc(OC)cc2C1	ZINC000772723737	668782484	/nfs/dbraw/zinc/78/24/84/668782484.db2.gz	RTODAMIZKHGBJZ-NSHDSACASA-N	-1	0	311.359	0.878	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000772721197	668782561	/nfs/dbraw/zinc/78/25/61/668782561.db2.gz	GTWNJSAKOFUCJA-UHFFFAOYSA-N	-1	0	300.292	0.849	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(-n2ccnc2)c1	ZINC000773974996	668818948	/nfs/dbraw/zinc/81/89/48/668818948.db2.gz	JLTLMMQISNRDSG-GFCCVEGCSA-N	-1	0	313.317	0.352	20	30		DCEDRM
C[C@@H](CN(C)C(=O)COc1cccc(C#N)c1)c1nnn[n-]1	ZINC000774005674	668819223	/nfs/dbraw/zinc/81/92/23/668819223.db2.gz	SDCJNOIMLDMMRY-JTQLQIEISA-N	-1	0	300.322	0.712	20	30		DCEDRM
CCOc1nc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)co1	ZINC000774503126	668835895	/nfs/dbraw/zinc/83/58/95/668835895.db2.gz	OGUNVSPJTIRWOZ-UHFFFAOYSA-N	-1	0	313.335	0.827	20	30		DCEDRM
CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776116690	668871062	/nfs/dbraw/zinc/87/10/62/668871062.db2.gz	XNPWTGFRJXVCHD-UHFFFAOYSA-N	-1	0	303.384	0.431	20	30		DCEDRM
CC(C)[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)N1CCCC1=O	ZINC000776122469	668871186	/nfs/dbraw/zinc/87/11/86/668871186.db2.gz	GEQLOXLZFCIRGS-GFCCVEGCSA-N	-1	0	315.395	0.383	20	30		DCEDRM
Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776119062	668871268	/nfs/dbraw/zinc/87/12/68/668871268.db2.gz	AIDOGOIUEIEJGM-UHFFFAOYSA-N	-1	0	314.367	0.166	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc2nncn2c1	ZINC000776143152	668871605	/nfs/dbraw/zinc/87/16/05/668871605.db2.gz	UCGTWRALGLFABR-UHFFFAOYSA-N	-1	0	307.335	0.339	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)COC[C@@H]1CCCO1	ZINC000776138224	668871616	/nfs/dbraw/zinc/87/16/16/668871616.db2.gz	KNGJYYXSCSPUGM-JTQLQIEISA-N	-1	0	304.368	0.178	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cnn2ccccc12	ZINC000776140724	668871707	/nfs/dbraw/zinc/87/17/07/668871707.db2.gz	IMUXKJSTMNBZJB-UHFFFAOYSA-N	-1	0	306.347	0.944	20	30		DCEDRM
Cn1cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776139608	668871718	/nfs/dbraw/zinc/87/17/18/668871718.db2.gz	YWCBTCWHRHZPPK-UHFFFAOYSA-N	-1	0	314.323	0.543	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000776566505	668878030	/nfs/dbraw/zinc/87/80/30/668878030.db2.gz	WHIMCWVTESXKNP-SNVBAGLBSA-N	-1	0	303.351	0.340	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@H](CC2CCOCC2)C(=O)[O-])CC1	ZINC000776598627	668878931	/nfs/dbraw/zinc/87/89/31/668878931.db2.gz	CJWWUDFWQHBUCK-LLVKDONJSA-N	-1	0	316.379	0.479	20	30		DCEDRM
N#CCCCS(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC000776717220	668880371	/nfs/dbraw/zinc/88/03/71/668880371.db2.gz	UHXIIYXDTTVYLP-UHFFFAOYSA-N	-1	0	315.351	0.315	20	30		DCEDRM
CC(C)(CNN=Cc1ccc(O)c(C(=O)[O-])c1)S(C)(=O)=O	ZINC000777447318	668887659	/nfs/dbraw/zinc/88/76/59/668887659.db2.gz	YLVBZSWFEXDTOW-UHFFFAOYSA-N	-1	0	314.363	0.837	20	30		DCEDRM
COc1ccc(C=NNC2=NC[C@H](C)N2)c(OCC(=O)[O-])c1	ZINC000779792392	668937195	/nfs/dbraw/zinc/93/71/95/668937195.db2.gz	NDXVCGINZXMMJE-VIFPVBQESA-N	-1	0	306.322	0.430	20	30		DCEDRM
N#CCOc1cccc(CC(=O)[N-]S(=O)(=O)CCCF)c1	ZINC000810603411	669147602	/nfs/dbraw/zinc/14/76/02/669147602.db2.gz	WOYORRMJDOVVQM-UHFFFAOYSA-N	-1	0	314.338	0.937	20	30		DCEDRM
CNC(=S)NN=Cc1ccc(OCCC(=O)[O-])c(OC)c1	ZINC000783781976	669173538	/nfs/dbraw/zinc/17/35/38/669173538.db2.gz	CFDGCSXYCKAWJG-UHFFFAOYSA-N	-1	0	311.363	0.977	20	30		DCEDRM
COC(=O)CCCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000784723583	669218309	/nfs/dbraw/zinc/21/83/09/669218309.db2.gz	MUUOEULZNZZBIR-UHFFFAOYSA-N	-1	0	318.289	0.693	20	30		DCEDRM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]N1CCCNC1=O	ZINC000784723595	669218426	/nfs/dbraw/zinc/21/84/26/669218426.db2.gz	INIKIHWNSPIXEQ-UHFFFAOYSA-N	-1	0	314.754	0.820	20	30		DCEDRM
COC(=O)C1(C(=O)OCc2cc(=O)n3[n-]cc(C#N)c3n2)CC1	ZINC000784740611	669219635	/nfs/dbraw/zinc/21/96/35/669219635.db2.gz	GVQVGRICFFHLPH-UHFFFAOYSA-N	-1	0	316.273	0.303	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)n1cc(C[N-]C(=O)C(F)(F)F)nn1	ZINC000881108860	669297931	/nfs/dbraw/zinc/29/79/31/669297931.db2.gz	ONDAUVGWYRTAQT-SSDOTTSWSA-N	-1	0	305.260	0.320	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccnc3ncnn32)c(F)c1	ZINC000790634562	669563140	/nfs/dbraw/zinc/56/31/40/669563140.db2.gz	ACBBHQSRNZYDMV-UHFFFAOYSA-N	-1	0	318.293	0.936	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C2CC2)C1	ZINC000791110413	669594545	/nfs/dbraw/zinc/59/45/45/669594545.db2.gz	CXCJKXPNVIXYMK-LBPRGKRZSA-N	-1	0	312.391	0.104	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(C)c1Br	ZINC000791772192	669628610	/nfs/dbraw/zinc/62/86/10/669628610.db2.gz	YVWXHCICHQUUHW-SSDOTTSWSA-N	-1	0	311.139	0.807	20	30		DCEDRM
C=C(C)C[C@H](CO)N=c1nn[n-]n1Cc1ccc(OC)cc1	ZINC000883007551	669639057	/nfs/dbraw/zinc/63/90/57/669639057.db2.gz	ZHFOBRUAJTYDPK-CYBMUJFWSA-N	-1	0	303.366	0.891	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(CC(=O)C(C)(C)C)nn1	ZINC000132664066	669737995	/nfs/dbraw/zinc/73/79/95/669737995.db2.gz	WFWNKWSBYXONIW-JTQLQIEISA-N	-1	0	319.365	0.740	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)c1cccc2n[nH]nc21	ZINC000800206923	669839078	/nfs/dbraw/zinc/83/90/78/669839078.db2.gz	NGPINFHUENSATF-UHFFFAOYSA-N	-1	0	301.306	0.877	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)CCC(F)(F)F	ZINC000797261612	669961443	/nfs/dbraw/zinc/96/14/43/669961443.db2.gz	JPOGQUHCJDVTOT-UHFFFAOYSA-N	-1	0	309.269	0.909	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(Cc2ccccc2)nn1	ZINC000798203155	669992051	/nfs/dbraw/zinc/99/20/51/669992051.db2.gz	UKRKGNHBPNJCLT-UHFFFAOYSA-N	-1	0	318.358	0.409	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(N2CCCC2=O)c1	ZINC000798202299	669992120	/nfs/dbraw/zinc/99/21/20/669992120.db2.gz	MJPAEYOPRBBZSN-UHFFFAOYSA-N	-1	0	320.370	0.896	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(OC)c(OC)c1	ZINC000798202759	669992232	/nfs/dbraw/zinc/99/22/32/669992232.db2.gz	LWTSJNJQXOVNKR-UHFFFAOYSA-N	-1	0	311.359	0.716	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CCN(C(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC000948097242	670060872	/nfs/dbraw/zinc/06/08/72/670060872.db2.gz	YQGHNGNMSAIJFS-MRVPVSSYSA-N	-1	0	305.338	0.304	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000803096957	670235420	/nfs/dbraw/zinc/23/54/20/670235420.db2.gz	KSZQCGNNOACXSW-UHFFFAOYSA-N	-1	0	314.319	0.631	20	30		DCEDRM
COCCCO[N-]C(=O)C(=O)Nc1ccc(C#N)cc1OC	ZINC000807435266	670361749	/nfs/dbraw/zinc/36/17/49/670361749.db2.gz	CDVCTESTBNACFX-UHFFFAOYSA-N	-1	0	307.306	0.590	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)Cn2cc(Cl)cn2)cc1	ZINC000808976715	670432823	/nfs/dbraw/zinc/43/28/23/670432823.db2.gz	YSDMXFUTLOAOKX-UHFFFAOYSA-N	-1	0	324.749	0.913	20	30		DCEDRM
Cn1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)nn1	ZINC000809003824	670434625	/nfs/dbraw/zinc/43/46/25/670434625.db2.gz	XSGCWNNNJIVBGH-SECBINFHSA-N	-1	0	319.271	0.732	20	30		DCEDRM
CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCCOC)cc1	ZINC000810529748	670488684	/nfs/dbraw/zinc/48/86/84/670488684.db2.gz	NHUGVQKISNPNEH-ZDUSSCGKSA-N	-1	0	318.329	0.948	20	30		DCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)n1	ZINC000810563703	670489341	/nfs/dbraw/zinc/48/93/41/670489341.db2.gz	QKMIEYRBSBJNAP-LLVKDONJSA-N	-1	0	309.347	0.582	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000810644435	670492479	/nfs/dbraw/zinc/49/24/79/670492479.db2.gz	ZHGITOFCWHWFKJ-GFCCVEGCSA-N	-1	0	307.371	0.693	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000810677916	670493172	/nfs/dbraw/zinc/49/31/72/670493172.db2.gz	TUNHSKAEUOSORX-UHFFFAOYSA-N	-1	0	303.343	0.449	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1CCC(OCCOC)CC1	ZINC000810772742	670496612	/nfs/dbraw/zinc/49/66/12/670496612.db2.gz	CPXLPXMHOVUFFD-UHFFFAOYSA-N	-1	0	317.407	0.678	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)CC)C1	ZINC000810774415	670496887	/nfs/dbraw/zinc/49/68/87/670496887.db2.gz	IOQNINUTCODEBY-LLVKDONJSA-N	-1	0	300.380	0.104	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000810775120	670496927	/nfs/dbraw/zinc/49/69/27/670496927.db2.gz	XVAKMNZIZBGVOD-GFCCVEGCSA-N	-1	0	320.370	0.509	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cccc(C(=O)OC)c1	ZINC000810777930	670497169	/nfs/dbraw/zinc/49/71/69/670497169.db2.gz	QWSSLGUCDNFLJH-UHFFFAOYSA-N	-1	0	309.343	0.485	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](CC1CCC1)NC(C)=O	ZINC000810777944	670497267	/nfs/dbraw/zinc/49/72/67/670497267.db2.gz	REBHGKNOPWMDKS-GFCCVEGCSA-N	-1	0	300.380	0.151	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000810785838	670498090	/nfs/dbraw/zinc/49/80/90/670498090.db2.gz	SBTXTUFSXCXKOQ-UHFFFAOYSA-N	-1	0	306.343	0.654	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COc1cccc([N+](=O)[O-])c1	ZINC000810785727	670498094	/nfs/dbraw/zinc/49/80/94/670498094.db2.gz	PGWHYXXSKVLECG-UHFFFAOYSA-N	-1	0	312.303	0.443	20	30		DCEDRM
COc1cnc(F)c(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1	ZINC000847675561	670589190	/nfs/dbraw/zinc/58/91/90/670589190.db2.gz	XNLMZVBSFFGCRU-UHFFFAOYSA-N	-1	0	315.326	0.839	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000812783391	670595765	/nfs/dbraw/zinc/59/57/65/670595765.db2.gz	MZVNGVMSKZNIBO-VIFPVBQESA-N	-1	0	307.262	0.473	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ncn(C(C)(C)C)n1	ZINC000813059349	670608954	/nfs/dbraw/zinc/60/89/54/670608954.db2.gz	ZGISWJYGATUZIE-SNVBAGLBSA-N	-1	0	307.354	0.508	20	30		DCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000847895277	670610632	/nfs/dbraw/zinc/61/06/32/670610632.db2.gz	ZLRALNWEOWFFRF-UHFFFAOYSA-N	-1	0	312.307	0.735	20	30		DCEDRM
C#CCN(CC(=O)[N-]O[C@@H](CO)C(C)C)C(=O)OC(C)(C)C	ZINC000854827428	670639286	/nfs/dbraw/zinc/63/92/86/670639286.db2.gz	LKKSSAXRWZNBPH-LBPRGKRZSA-N	-1	0	314.382	0.921	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCCN(O)C2=O)cc1C#N	ZINC000848137684	670642017	/nfs/dbraw/zinc/64/20/17/670642017.db2.gz	HCWBSGBKOZWAPB-SECBINFHSA-N	-1	0	322.346	0.491	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CCOCC1	ZINC000813981468	670667610	/nfs/dbraw/zinc/66/76/10/670667610.db2.gz	BVROHWSMNDAFBM-SNVBAGLBSA-N	-1	0	323.374	0.821	20	30		DCEDRM
COC(=O)c1ccc(NN=C2C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000814226689	670681717	/nfs/dbraw/zinc/68/17/17/670681717.db2.gz	HFGCOZZXTQGWNE-UHFFFAOYSA-N	-1	0	324.680	0.261	20	30		DCEDRM
CCOc1c(OC)cc(C=Nn2c(=O)[n-][nH]c2=O)cc1OC	ZINC000814233425	670682059	/nfs/dbraw/zinc/68/20/59/670682059.db2.gz	OWEAVPCCGDABAA-UHFFFAOYSA-N	-1	0	308.294	0.987	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(F)cc(OC)cc1F	ZINC000849219179	670765876	/nfs/dbraw/zinc/76/58/76/670765876.db2.gz	LSLHVLOQUBYTSX-UHFFFAOYSA-N	-1	0	319.285	0.682	20	30		DCEDRM
CCn1ncc(C(=O)[N-]S(=O)(=O)c2cc(C#N)ccc2C)n1	ZINC000815950683	670774825	/nfs/dbraw/zinc/77/48/25/670774825.db2.gz	FNXNYEDZFOHVLJ-UHFFFAOYSA-N	-1	0	319.346	0.597	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000856032800	670777656	/nfs/dbraw/zinc/77/76/56/670777656.db2.gz	QUBPGKDOBLGXJR-NSHDSACASA-N	-1	0	323.374	0.849	20	30		DCEDRM
Cn1cc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c(Cl)n1	ZINC000816005550	670779468	/nfs/dbraw/zinc/77/94/68/670779468.db2.gz	QJRJRJVHWNPTLJ-UHFFFAOYSA-N	-1	0	318.786	0.612	20	30		DCEDRM
C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N	ZINC000816128465	670789218	/nfs/dbraw/zinc/78/92/18/670789218.db2.gz	LCUMELOTJCMRIF-XVKPBYJWSA-N	-1	0	309.303	0.927	20	30		DCEDRM
N#Cc1cccc(OCCCCC(=O)Nn2c(=O)[n-][nH]c2=O)c1	ZINC000816731512	670851170	/nfs/dbraw/zinc/85/11/70/670851170.db2.gz	UOEFGFRVPXOBTB-UHFFFAOYSA-N	-1	0	317.305	0.880	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCOC2	ZINC000850756508	670938729	/nfs/dbraw/zinc/93/87/29/670938729.db2.gz	AYVVDYXOQFEFNI-CQSZACIVSA-N	-1	0	302.330	0.844	20	30		DCEDRM
C#CCN(CC)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000850783559	670940261	/nfs/dbraw/zinc/94/02/61/670940261.db2.gz	HCKFREDIKSGNIV-UHFFFAOYSA-N	-1	0	306.322	0.123	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CCOCC1	ZINC000850935343	670955950	/nfs/dbraw/zinc/95/59/50/670955950.db2.gz	GFMIHXLXTMJEDW-LLVKDONJSA-N	-1	0	316.379	0.322	20	30		DCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1	ZINC000850943868	670956869	/nfs/dbraw/zinc/95/68/69/670956869.db2.gz	VWMXBSHYMGWCDC-SNVBAGLBSA-N	-1	0	316.379	0.858	20	30		DCEDRM
CC1(C)OC[C@@H]2C[C@@]21C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000850960513	670957913	/nfs/dbraw/zinc/95/79/13/670957913.db2.gz	ITCMABGBICKNIA-HZMBPMFUSA-N	-1	0	312.391	0.941	20	30		DCEDRM
Cn1nncc1S(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1	ZINC000850971875	670958736	/nfs/dbraw/zinc/95/87/36/670958736.db2.gz	COKVNVPFNHZJFP-UHFFFAOYSA-N	-1	0	311.367	0.484	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=O)n2CC	ZINC000850999244	670960170	/nfs/dbraw/zinc/96/01/70/670960170.db2.gz	BLVREWHPPRGVBW-UHFFFAOYSA-N	-1	0	321.358	0.845	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1COC[C@H]1c1ccccc1	ZINC000850999484	670960228	/nfs/dbraw/zinc/96/02/28/670960228.db2.gz	GMFBKISIUVXPAE-KBPBESRZSA-N	-1	0	307.371	0.886	20	30		DCEDRM
CO[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000851039830	670963491	/nfs/dbraw/zinc/96/34/91/670963491.db2.gz	CGBVHMDRYTYMST-WDEREUQCSA-N	-1	0	309.347	0.573	20	30		DCEDRM
CC1(C)OC[C@@H]2C[C@@]21C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000851041619	670963835	/nfs/dbraw/zinc/96/38/35/670963835.db2.gz	VONDCIHPVBFPSY-HZMBPMFUSA-N	-1	0	321.358	0.573	20	30		DCEDRM
COc1ccc2c(c1)OC[C@@H]2CC(=O)N[C@H]1CCN(O)C1=O	ZINC000820147886	671172074	/nfs/dbraw/zinc/17/20/74/671172074.db2.gz	ABNHGAXGZIXJKQ-CABZTGNLSA-N	-1	0	306.318	0.668	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)C(C#N)=C([O-])c2nccn2C)O1	ZINC000860613283	671223888	/nfs/dbraw/zinc/22/38/88/671223888.db2.gz	ZIPSZAVNXSOLQA-AEJSXWLSSA-N	-1	0	305.290	0.032	20	30		DCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC	ZINC000860664847	671228187	/nfs/dbraw/zinc/22/81/87/671228187.db2.gz	FFQLIGGKKKZZNK-ZJUUUORDSA-N	-1	0	318.395	0.960	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C	ZINC000860722191	671233503	/nfs/dbraw/zinc/23/35/03/671233503.db2.gz	UIXPRTCVTBTLLM-UONOGXRCSA-N	-1	0	313.375	0.578	20	30		DCEDRM
Cc1[n-]sc(=NC(=O)NN2CCS(=O)(=O)CC2)c1C#N	ZINC000861094909	671263850	/nfs/dbraw/zinc/26/38/50/671263850.db2.gz	TZEVKAZUOLAYPI-UHFFFAOYSA-N	-1	0	315.380	0.090	20	30		DCEDRM
Cc1ccc2c(c1)CCN2C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000821560701	671283880	/nfs/dbraw/zinc/28/38/80/671283880.db2.gz	AKSLTIAILWPUIA-UHFFFAOYSA-N	-1	0	310.313	0.718	20	30		DCEDRM
C=C(C)CN(CC)C(=O)Cn1cnc(C#N)c1-c1nn[nH]n1	ZINC000823877886	671411564	/nfs/dbraw/zinc/41/15/64/671411564.db2.gz	JYQVACRBRLIHIR-UHFFFAOYSA-N	-1	0	300.326	0.359	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F	ZINC000824232952	671424042	/nfs/dbraw/zinc/42/40/42/671424042.db2.gz	NXDNXOUDDCZDLC-FXQIFTODSA-N	-1	0	301.286	0.832	20	30		DCEDRM
C=CCCO[N-]C(=O)COc1nsnc1N1CCOCC1	ZINC000824659315	671435809	/nfs/dbraw/zinc/43/58/09/671435809.db2.gz	CXVDJBZVFIAEPY-UHFFFAOYSA-N	-1	0	314.367	0.377	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826381373	671486530	/nfs/dbraw/zinc/48/65/30/671486530.db2.gz	JGLLBMZMDNCYEK-UHFFFAOYSA-N	-1	0	320.334	0.230	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1	ZINC000826834607	671502634	/nfs/dbraw/zinc/50/26/34/671502634.db2.gz	UWQHSWQQQYHPTQ-LLVKDONJSA-N	-1	0	302.269	0.424	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@H]3CSC[C@@H]3C2)c(=O)[n-]c1=O	ZINC000827093577	671514136	/nfs/dbraw/zinc/51/41/36/671514136.db2.gz	INRGORSPKBYGRS-ONGXEEELSA-N	-1	0	320.374	0.032	20	30		DCEDRM
C#CCN1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1	ZINC000827525924	671530416	/nfs/dbraw/zinc/53/04/16/671530416.db2.gz	DFVGPYJGYFMFMA-UHFFFAOYSA-N	-1	0	312.329	0.421	20	30		DCEDRM
COC(=O)c1sccc1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000831479576	671671318	/nfs/dbraw/zinc/67/13/18/671671318.db2.gz	RKYFHYYXJUNATE-UHFFFAOYSA-N	-1	0	311.319	0.383	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000835155749	671789307	/nfs/dbraw/zinc/78/93/07/671789307.db2.gz	NWCBRXTVKOWEJE-ZETCQYMHSA-N	-1	0	318.332	0.500	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(OC)c1	ZINC000835296146	671792720	/nfs/dbraw/zinc/79/27/20/671792720.db2.gz	QALZIDWMFKPQPM-NSHDSACASA-N	-1	0	311.359	0.680	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccnc(OCC(F)F)c1	ZINC000835412162	671795827	/nfs/dbraw/zinc/79/58/27/671795827.db2.gz	YHLBEJXJVXONDY-UHFFFAOYSA-N	-1	0	319.289	0.699	20	30		DCEDRM
C[C@@H](NC(=O)C1CCCCC1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835413059	671796058	/nfs/dbraw/zinc/79/60/58/671796058.db2.gz	YCACXLGWULUROF-SNVBAGLBSA-N	-1	0	315.395	0.431	20	30		DCEDRM
C#C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)[C@@H]1CCCO1	ZINC000867124273	671796982	/nfs/dbraw/zinc/79/69/82/671796982.db2.gz	KETGNEPIROMELA-QWRGUYRKSA-N	-1	0	306.409	0.263	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)C[C@@H](C)CCC)nn1	ZINC000842716582	672031257	/nfs/dbraw/zinc/03/12/57/672031257.db2.gz	XDZJUKYYQPEYEV-JTQLQIEISA-N	-1	0	300.384	0.960	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](CC)C(=O)[O-]	ZINC000843048294	672056041	/nfs/dbraw/zinc/05/60/41/672056041.db2.gz	XRZPDSWUIVULHR-JTQLQIEISA-N	-1	0	322.292	0.756	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cc1	ZINC000843257244	672075596	/nfs/dbraw/zinc/07/55/96/672075596.db2.gz	MENVTZXGSDVLOR-UHFFFAOYSA-N	-1	0	319.317	0.186	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)CSc1n[n-]c(=S)s1	ZINC000844112202	672149202	/nfs/dbraw/zinc/14/92/02/672149202.db2.gz	IPAIKOSGFDROFC-SSDOTTSWSA-N	-1	0	303.434	0.809	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)CC1	ZINC000844205863	672163195	/nfs/dbraw/zinc/16/31/95/672163195.db2.gz	PXWCKKOQPQYKND-NSHDSACASA-N	-1	0	310.331	0.741	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1	ZINC000844818497	672204569	/nfs/dbraw/zinc/20/45/69/672204569.db2.gz	RPISUHSUMQHOAJ-ZDUSSCGKSA-N	-1	0	315.391	0.685	20	30		DCEDRM
COc1cncc(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)c1	ZINC000844814996	672204722	/nfs/dbraw/zinc/20/47/22/672204722.db2.gz	IKFNFOLMHPFYIC-UHFFFAOYSA-N	-1	0	324.358	0.579	20	30		DCEDRM
CCn1ccc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)n1	ZINC000845518443	672254986	/nfs/dbraw/zinc/25/49/86/672254986.db2.gz	GANCNZARUVMPKD-UHFFFAOYSA-N	-1	0	310.379	0.585	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H]1c1ccncc1	ZINC000845559270	672261759	/nfs/dbraw/zinc/26/17/59/672261759.db2.gz	AQIIAZFPWUOPDV-NEPJUHHUSA-N	-1	0	309.347	0.519	20	30		DCEDRM
COC(=O)c1coc(S(=O)(=O)[N-]C(=O)CC(C)(C)C#N)c1	ZINC000845883916	672280322	/nfs/dbraw/zinc/28/03/22/672280322.db2.gz	XZOBTTGYOXSOFD-UHFFFAOYSA-N	-1	0	314.319	0.811	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C(=O)OCC)n(C)c1	ZINC000846145750	672297464	/nfs/dbraw/zinc/29/74/64/672297464.db2.gz	HIFNQYNGNGKREV-UHFFFAOYSA-N	-1	0	309.322	0.764	20	30		DCEDRM
CC[C@H](C(=O)[O-])N(C)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000846715026	672340052	/nfs/dbraw/zinc/34/00/52/672340052.db2.gz	LIFPYXBEXLGIEX-MMZVIXLHSA-N	-1	0	309.322	0.225	20	30		DCEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C)n2cnc(C#N)n2)c1	ZINC000798813585	685347129	/nfs/dbraw/zinc/34/71/29/685347129.db2.gz	ZZBWFXMERSQSEC-SNVBAGLBSA-N	-1	0	319.346	0.524	20	30		DCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)N[C@]1(C(=O)[O-])CCOC1	ZINC000833092089	685359850	/nfs/dbraw/zinc/35/98/50/685359850.db2.gz	NYVZZZKIUFOFET-OAHLLOKOSA-N	-1	0	303.270	0.127	20	30		DCEDRM
CCOCCOCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000850927901	685370943	/nfs/dbraw/zinc/37/09/43/685370943.db2.gz	ABTBTJWYVRUKEM-UHFFFAOYSA-N	-1	0	320.411	0.815	20	30		DCEDRM
COC[C@@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000850931962	685371166	/nfs/dbraw/zinc/37/11/66/685371166.db2.gz	DLGKZOSVLXJHDR-SNVBAGLBSA-N	-1	0	304.368	0.178	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCO[C@H](C#N)C2)cc1C(=O)[O-]	ZINC000093932738	685110311	/nfs/dbraw/zinc/11/03/11/685110311.db2.gz	UOGROIIDGMVPMI-SNVBAGLBSA-N	-1	0	310.331	0.606	20	30		DCEDRM
N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001018175885	693057225	/nfs/dbraw/zinc/05/72/25/693057225.db2.gz	UYPKZXHQSTWXHU-AOOOYVTPSA-N	-1	0	313.317	0.741	20	30		DCEDRM
C#CCCCCC(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001745088786	1157752382	/nfs/dbraw/zinc/75/23/82/1157752382.db2.gz	JJQUQNNWSCJUCB-UHFFFAOYSA-N	-1	0	306.366	0.806	20	30		DCEDRM
N#Cc1cn(CCC(=O)NOCCC(F)(F)F)c(=O)[n-]c1=O	ZINC001448000517	1159701865	/nfs/dbraw/zinc/70/18/65/1159701865.db2.gz	DMHBJYBJLAUASJ-UHFFFAOYSA-N	-1	0	320.227	0.211	20	30		DCEDRM
CCOC(=O)[C@@H](CC(=O)[O-])S[C@H](C)C(=O)N(C)CCC#N	ZINC001573780974	1163551764	/nfs/dbraw/zinc/55/17/64/1163551764.db2.gz	BKJIRFLPWRLAQQ-NXEZZACHSA-N	-1	0	316.379	0.887	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1C2CCC(CC2)[C@H]1C(=O)[O-]	ZINC001573870803	1163573498	/nfs/dbraw/zinc/57/34/98/1163573498.db2.gz	STHWYBDLQAGKQB-ILDUYXDCSA-N	-1	0	301.368	0.404	20	30		DCEDRM
COc1ncc(NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1C#N	ZINC001574055963	1163630189	/nfs/dbraw/zinc/63/01/89/1163630189.db2.gz	YMLJMIHTYKOGQB-SECBINFHSA-N	-1	0	305.294	0.836	20	30		DCEDRM
Cc1onc(CC(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])c1C#N	ZINC001574208248	1163664553	/nfs/dbraw/zinc/66/45/53/1163664553.db2.gz	XPEPDCHWMOTDNO-JOYOIKCWSA-N	-1	0	307.306	0.536	20	30		DCEDRM
N#C[C@]12CN(c3ncc(C(=O)[O-])s3)C[C@H]1CS(=O)(=O)C2	ZINC001574242003	1163672221	/nfs/dbraw/zinc/67/22/21/1163672221.db2.gz	SXIBZNCVVVRSHZ-WRWORJQWSA-N	-1	0	313.360	0.216	20	30		DCEDRM
N#Cc1c(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)nc2n1CCOC2	ZINC001574241295	1163672688	/nfs/dbraw/zinc/67/26/88/1163672688.db2.gz	KHUXBDPRKLUYMF-SECBINFHSA-N	-1	0	319.321	0.613	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO	ZINC001574248763	1163673597	/nfs/dbraw/zinc/67/35/97/1163673597.db2.gz	NVPXLVYKUTWMRY-NEPJUHHUSA-N	-1	0	319.317	0.024	20	30		DCEDRM
N#Cc1cccc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)c1	ZINC001574249042	1163674745	/nfs/dbraw/zinc/67/47/45/1163674745.db2.gz	FDAZIKLOHQKWAG-CMPLNLGQSA-N	-1	0	304.306	0.650	20	30		DCEDRM
N#Cc1ccc2c(c1)N(S(=O)(=O)c1n[nH]cc1C(=O)[O-])CC2	ZINC001574250326	1163674834	/nfs/dbraw/zinc/67/48/34/1163674834.db2.gz	YGGIQFVYDPHIFP-UHFFFAOYSA-N	-1	0	318.314	0.731	20	30		DCEDRM
C[C@@H]1CSCCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001576377160	1164319059	/nfs/dbraw/zinc/31/90/59/1164319059.db2.gz	GDGAKOIZLSNUJR-QMMMGPOBSA-N	-1	0	302.367	0.718	20	30		DCEDRM
CN(CC(=O)OC(C)(C)C)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579011181	1165187903	/nfs/dbraw/zinc/18/79/03/1165187903.db2.gz	WZXVNNPGEGMYRL-UHFFFAOYSA-N	-1	0	316.325	0.306	20	30		DCEDRM
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579602192	1165357135	/nfs/dbraw/zinc/35/71/35/1165357135.db2.gz	BLALQOANYFLWJV-UHZXRMQZSA-N	-1	0	324.348	0.388	20	30		DCEDRM
Cc1cccc([C@@H](O)CNc2cnc(C#N)c(-c3nnn[n-]3)n2)c1	ZINC001581232672	1165801587	/nfs/dbraw/zinc/80/15/87/1165801587.db2.gz	BKLNCJMOQSFRDK-LBPRGKRZSA-N	-1	0	322.332	0.982	20	30		DCEDRM
Cc1cnn([C@@H]2CCN(c3cnc(C#N)c(-c4nnn[n-]4)n3)C2)c1	ZINC001581346322	1165816427	/nfs/dbraw/zinc/81/64/27/1165816427.db2.gz	WRPAVCHNUDDXDU-SNVBAGLBSA-N	-1	0	322.336	0.485	20	30		DCEDRM
Cc1ncsc1CN(C)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001581587911	1165846762	/nfs/dbraw/zinc/84/67/62/1165846762.db2.gz	FVDQNLCENFISEP-UHFFFAOYSA-N	-1	0	313.350	0.930	20	30		DCEDRM
N#Cc1ncc(N[C@H]2CCC[C@H]2CCO)nc1-c1nnn[n-]1	ZINC001581882517	1165902004	/nfs/dbraw/zinc/90/20/04/1165902004.db2.gz	BTBSKEQFVYQAAF-IUCAKERBSA-N	-1	0	300.326	0.491	20	30		DCEDRM
N#Cc1ncc(NCc2cccc(C(N)=O)c2)nc1-c1nnn[n-]1	ZINC001581884339	1165904605	/nfs/dbraw/zinc/90/46/05/1165904605.db2.gz	VVGAUEOKZUMJQW-UHFFFAOYSA-N	-1	0	321.304	0.239	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N[C@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001582425217	1166016553	/nfs/dbraw/zinc/01/65/53/1166016553.db2.gz	QVYCQQAEQNIJRU-WDEREUQCSA-N	-1	0	324.381	0.639	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001582996163	1166163751	/nfs/dbraw/zinc/16/37/51/1166163751.db2.gz	HEYOPUKUSGTZLL-BONVTDFDSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C#CCOCCn1cc(-c2nnn[n-]2)c2ccsc2c1=O	ZINC001588363621	1166550045	/nfs/dbraw/zinc/55/00/45/1166550045.db2.gz	QOHBZYAUYSYOHG-UHFFFAOYSA-N	-1	0	301.331	0.893	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)C2CC2)cc1)C(=O)[O-]	ZINC001588414812	1166550977	/nfs/dbraw/zinc/55/09/77/1166550977.db2.gz	RRRFSFXBBNAAHL-ZDUSSCGKSA-N	-1	0	321.354	0.829	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)C2CC2)cc1)C(=O)[O-]	ZINC001588414811	1166551541	/nfs/dbraw/zinc/55/15/41/1166551541.db2.gz	RRRFSFXBBNAAHL-CYBMUJFWSA-N	-1	0	321.354	0.829	20	30		DCEDRM
C=CCCC(=O)NCCCN(C)c1ccnc(-c2nnn[n-]2)n1	ZINC001588572765	1166565674	/nfs/dbraw/zinc/56/56/74/1166565674.db2.gz	QVLBVPYXLFTEJD-UHFFFAOYSA-N	-1	0	316.369	0.565	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cn1	ZINC001588723412	1166581973	/nfs/dbraw/zinc/58/19/73/1166581973.db2.gz	MNXHDWIUQXOCAL-NEPJUHHUSA-N	-1	0	300.322	0.469	20	30		DCEDRM
C=C[C@H](CO)NC(=O)NCc1cc(-c2nn[nH]n2)ccc1F	ZINC001588727951	1166582755	/nfs/dbraw/zinc/58/27/55/1166582755.db2.gz	LHNBKAAZXWIGCU-SNVBAGLBSA-N	-1	0	306.301	0.352	20	30		DCEDRM
CC(=O)OCCCSc1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001588888440	1166613108	/nfs/dbraw/zinc/61/31/08/1166613108.db2.gz	RUAGTOGPNNKHKK-UHFFFAOYSA-N	-1	0	305.323	0.574	20	30		DCEDRM
CC(C)(C)C[C@H](CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589118465	1166635674	/nfs/dbraw/zinc/63/56/74/1166635674.db2.gz	GOSWTDNPLJHETN-MRVPVSSYSA-N	-1	0	302.342	0.737	20	30		DCEDRM
C[C@@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)n1ccnc1	ZINC001589795213	1166689351	/nfs/dbraw/zinc/68/93/51/1166689351.db2.gz	SXIDUVLIYVQAEZ-ZETCQYMHSA-N	-1	0	312.297	0.248	20	30		DCEDRM
C[C@H]1COCC[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001590325920	1166869195	/nfs/dbraw/zinc/86/91/95/1166869195.db2.gz	VNEGJVWSBZVAHS-NKWVEPMBSA-N	-1	0	302.298	0.073	20	30		DCEDRM
CCN(C[C@@H]1CCCO1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590691077	1166973860	/nfs/dbraw/zinc/97/38/60/1166973860.db2.gz	GGUMDPCGZNCWJC-VIFPVBQESA-N	-1	0	300.326	0.534	20	30		DCEDRM
CCc1nn(CCO[C@H](C)C#N)c(=O)c(-c2nnn[n-]2)c1CC	ZINC001590929686	1167055322	/nfs/dbraw/zinc/05/53/22/1167055322.db2.gz	LTZJCXFZBLUBJU-SECBINFHSA-N	-1	0	317.353	0.477	20	30		DCEDRM
Cc1nsc(C)c1Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC001592468417	1167531550	/nfs/dbraw/zinc/53/15/50/1167531550.db2.gz	LFGQYUNNQGIFFR-UHFFFAOYSA-N	-1	0	301.339	0.639	20	30		DCEDRM
N#Cc1ncc(NCCOC[C@@H]2CCCO2)nc1-c1nnn[n-]1	ZINC001592710172	1167609336	/nfs/dbraw/zinc/60/93/36/1167609336.db2.gz	ICTABNVKFZTNOP-VIFPVBQESA-N	-1	0	316.325	0.136	20	30		DCEDRM
Cc1cc(C#N)nc(N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)n1	ZINC001600075902	1168112321	/nfs/dbraw/zinc/11/23/21/1168112321.db2.gz	SLYPAQLHSGLORA-LLVKDONJSA-N	-1	0	313.321	0.788	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NC(C)(C)C(=O)[O-])n(CCC#N)n1	ZINC001600244589	1168147279	/nfs/dbraw/zinc/14/72/79/1168147279.db2.gz	FHMFIWROHGPJQV-UHFFFAOYSA-N	-1	0	307.310	0.023	20	30		DCEDRM
Cc1nsc(N(C)C(=O)Cn2cc(C(=O)[O-])cn2)c1C#N	ZINC001600819653	1168477287	/nfs/dbraw/zinc/47/72/87/1168477287.db2.gz	KTLGUBOGNDJMAK-UHFFFAOYSA-N	-1	0	305.319	0.881	20	30		DCEDRM
Cc1oc(CN(C)C(=O)Cn2cnc(C#N)n2)cc1C(=O)[O-]	ZINC001600842649	1168482827	/nfs/dbraw/zinc/48/28/27/1168482827.db2.gz	BUSJJZWFEJBXFI-UHFFFAOYSA-N	-1	0	303.278	0.408	20	30		DCEDRM
Cc1onc(CC(=O)N2CCSC[C@@H]2CC(=O)[O-])c1C#N	ZINC001600862724	1168490681	/nfs/dbraw/zinc/49/06/81/1168490681.db2.gz	GDJUWCQPZWYNLS-VIFPVBQESA-N	-1	0	309.347	0.816	20	30		DCEDRM
Cn1c(Cl)ncc1S(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001600922025	1168509184	/nfs/dbraw/zinc/50/91/84/1168509184.db2.gz	RYEYZSROKRSDRK-UHFFFAOYSA-N	-1	0	306.731	0.062	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001600927515	1168512284	/nfs/dbraw/zinc/51/22/84/1168512284.db2.gz	PAKZUWAJSHPBDO-LBPRGKRZSA-N	-1	0	319.317	0.519	20	30		DCEDRM
Cn1nc2c(cc1=O)CN(Cc1cccc(C(=O)[O-])c1C#N)CC2	ZINC001601017983	1168566128	/nfs/dbraw/zinc/56/61/28/1168566128.db2.gz	AHJNSMMCFFNWLI-UHFFFAOYSA-N	-1	0	324.340	0.908	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)CC1	ZINC001601049447	1168577834	/nfs/dbraw/zinc/57/78/34/1168577834.db2.gz	RCJDOEIZGPJEMX-SECBINFHSA-N	-1	0	303.322	0.442	20	30		DCEDRM
N#CC1(CC(=O)N[C@H](Cc2cncs2)C(=O)[O-])CCOCC1	ZINC001601055231	1168578180	/nfs/dbraw/zinc/57/81/80/1168578180.db2.gz	UNMQILXEHLOASK-LLVKDONJSA-N	-1	0	323.374	0.965	20	30		DCEDRM
N#CC1(CC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CCOCC1	ZINC001601053639	1168578320	/nfs/dbraw/zinc/57/83/20/1168578320.db2.gz	MWWRDYSGSCQAGO-UHFFFAOYSA-N	-1	0	319.321	0.070	20	30		DCEDRM
N#CC1(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])CCOCC1	ZINC001601055271	1168578633	/nfs/dbraw/zinc/57/86/33/1168578633.db2.gz	VUWPOXWACRNFIU-ZDUSSCGKSA-N	-1	0	317.345	0.904	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)C1	ZINC001601057797	1168579441	/nfs/dbraw/zinc/57/94/41/1168579441.db2.gz	FJVOGLSJXZZHEI-OAHLLOKOSA-N	-1	0	319.292	0.716	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)C1	ZINC001601062830	1168579657	/nfs/dbraw/zinc/57/96/57/1168579657.db2.gz	NPEXAWWDFRGLAN-UHFFFAOYSA-N	-1	0	316.379	0.312	20	30		DCEDRM
N#CCCc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC001601068708	1168580447	/nfs/dbraw/zinc/58/04/47/1168580447.db2.gz	NDJHYPUGTTWYBC-CYBMUJFWSA-N	-1	0	324.358	0.617	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ncc(Br)cn1	ZINC001601071685	1168580903	/nfs/dbraw/zinc/58/09/03/1168580903.db2.gz	DJLBEXBMWWGPNE-UHFFFAOYSA-N	-1	0	313.111	0.680	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2nnc(C3CC3)n2C1	ZINC001601069985	1168581114	/nfs/dbraw/zinc/58/11/14/1168581114.db2.gz	SRNTYVLMZOBDHK-SNVBAGLBSA-N	-1	0	303.322	0.155	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccnc(O[C@H]2CCOC2)c1	ZINC001601071713	1168581329	/nfs/dbraw/zinc/58/13/29/1168581329.db2.gz	FQGGGIMXORSWFW-LBPRGKRZSA-N	-1	0	319.317	0.690	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cn(Cc2ccccc2)nn1	ZINC001601071824	1168581354	/nfs/dbraw/zinc/58/13/54/1168581354.db2.gz	JGASXMIBOQWYBL-UHFFFAOYSA-N	-1	0	313.317	0.767	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@]1([C@H]2CCCCO2)CCCO1	ZINC001601072724	1168581490	/nfs/dbraw/zinc/58/14/90/1168581490.db2.gz	VMIWBYIYXYVXAY-IUODEOHRSA-N	-1	0	310.350	0.932	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)OCCn1cc(C(=O)[O-])nn1	ZINC001601083050	1168582792	/nfs/dbraw/zinc/58/27/92/1168582792.db2.gz	YOWXCIAHOXIQRT-UHFFFAOYSA-N	-1	0	304.237	0.844	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001601078699	1168583081	/nfs/dbraw/zinc/58/30/81/1168583081.db2.gz	WJOJQLPPWDZGLJ-CMPLNLGQSA-N	-1	0	310.331	0.273	20	30		DCEDRM
N#C[C@@]12CN(Cc3ccc(C(=O)[O-])cc3)C[C@@H]1CS(=O)(=O)C2	ZINC001601079564	1168583185	/nfs/dbraw/zinc/58/31/85/1168583185.db2.gz	MUWPDGSLSXRIPJ-HIFRSBDPSA-N	-1	0	320.370	0.755	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])cs1	ZINC001601085535	1168583369	/nfs/dbraw/zinc/58/33/69/1168583369.db2.gz	BNINZXLMIVJJFQ-JTQLQIEISA-N	-1	0	310.331	0.956	20	30		DCEDRM
N#Cc1c2c(cn(CN3CCOC[C@@H]3CC(=O)[O-])c1=O)CCC2	ZINC001601084012	1168583470	/nfs/dbraw/zinc/58/34/70/1168583470.db2.gz	CQMDOCXQWJBKQI-LBPRGKRZSA-N	-1	0	317.345	0.342	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)ccc1F	ZINC001601084721	1168583482	/nfs/dbraw/zinc/58/34/82/1168583482.db2.gz	MJXHRVZEBZRTTH-CYBMUJFWSA-N	-1	0	306.293	0.995	20	30		DCEDRM
N#Cc1cc(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)ccn1	ZINC001601087831	1168583660	/nfs/dbraw/zinc/58/36/60/1168583660.db2.gz	KPDSFJPTBRXKHV-WCQYABFASA-N	-1	0	303.318	0.839	20	30		DCEDRM
N#Cc1ccc(C(=O)NCCCNc2ncc(C(=O)[O-])cn2)[nH]1	ZINC001601091765	1168583992	/nfs/dbraw/zinc/58/39/92/1168583992.db2.gz	CSLYMMJALPVZLM-UHFFFAOYSA-N	-1	0	314.305	0.607	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)o1	ZINC001601092648	1168584190	/nfs/dbraw/zinc/58/41/90/1168584190.db2.gz	PZTJQJDPDUOYLT-HNNXBMFYSA-N	-1	0	319.317	0.153	20	30		DCEDRM
N#Cc1ccc(CCNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1	ZINC001601097413	1168584878	/nfs/dbraw/zinc/58/48/78/1168584878.db2.gz	DZFAIYZFOIGTQW-KGLIPLIRSA-N	-1	0	317.345	0.578	20	30		DCEDRM
N#Cc1ccc(CNC(=O)NCCC(=O)NCCC(=O)[O-])cc1	ZINC001601101594	1168585210	/nfs/dbraw/zinc/58/52/10/1168585210.db2.gz	WHOVYJCTJSWXLC-UHFFFAOYSA-N	-1	0	318.333	0.338	20	30		DCEDRM
N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H](CF)C(=O)[O-])CC2=O)cc1	ZINC001601105786	1168585481	/nfs/dbraw/zinc/58/54/81/1168585481.db2.gz	IQJVQFBITTZDCC-JQWIXIFHSA-N	-1	0	319.292	0.450	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)NCCCC(=O)[O-])CC2)cn1	ZINC001601104471	1168585706	/nfs/dbraw/zinc/58/57/06/1168585706.db2.gz	HWWLGXKPLHOCFT-UHFFFAOYSA-N	-1	0	317.349	0.650	20	30		DCEDRM
N#Cc1ccc(NCCNS(=O)(=O)CC2(C(=O)[O-])CC2)nc1	ZINC001601107891	1168586193	/nfs/dbraw/zinc/58/61/93/1168586193.db2.gz	PMYLBUZOZDXQHI-UHFFFAOYSA-N	-1	0	324.362	0.149	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1	ZINC001601108237	1168586543	/nfs/dbraw/zinc/58/65/43/1168586543.db2.gz	IFNGRQQLUSXQRE-HNNXBMFYSA-N	-1	0	317.345	0.654	20	30		DCEDRM
N#Cc1cccc(NC(=O)CN2CCC([C@H](O)C(=O)[O-])CC2)c1	ZINC001601120914	1168587421	/nfs/dbraw/zinc/58/74/21/1168587421.db2.gz	SJKKSRGGGFEDAD-HNNXBMFYSA-N	-1	0	317.345	0.654	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)[C@@H]2CCS(=O)(=O)C2)C(=O)[O-])c1	ZINC001601118713	1168587551	/nfs/dbraw/zinc/58/75/51/1168587551.db2.gz	NYEBNKKJEZYXAT-VXGBXAGGSA-N	-1	0	323.326	0.662	20	30		DCEDRM
N#Cc1cccc([C@H](C(=O)[O-])N2CCN(c3nccnn3)CC2)c1	ZINC001601119799	1168587577	/nfs/dbraw/zinc/58/75/77/1168587577.db2.gz	YLXZOMYONBOZOJ-CQSZACIVSA-N	-1	0	324.344	0.691	20	30		DCEDRM
N#Cc1ccccc1/C=C\C(=O)OCC(=O)NCCC(=O)[O-]	ZINC001601126021	1168590422	/nfs/dbraw/zinc/59/04/22/1168590422.db2.gz	MFVBZTQKNWKIAY-WAYWQWQTSA-N	-1	0	302.286	0.706	20	30		DCEDRM
N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1	ZINC001601130303	1168591132	/nfs/dbraw/zinc/59/11/32/1168591132.db2.gz	CROCZCVDOQYZBD-MPKXCIJOSA-N	-1	0	301.306	0.128	20	30		DCEDRM
N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1	ZINC001601130099	1168591143	/nfs/dbraw/zinc/59/11/43/1168591143.db2.gz	JWFYXFRYUKXPFK-OYBPUVFXSA-N	-1	0	301.306	0.128	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)NCc2ncc(C(=O)[O-])s2)c1	ZINC001601130376	1168591360	/nfs/dbraw/zinc/59/13/60/1168591360.db2.gz	DQJPXWVVPSLHTR-UHFFFAOYSA-N	-1	0	324.343	0.586	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)c2cccc(CC(=O)[O-])c2)c1N	ZINC001601131034	1168592011	/nfs/dbraw/zinc/59/20/11/1168592011.db2.gz	ODNYBQCMHJYCNZ-UHFFFAOYSA-N	-1	0	314.301	0.821	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)n1	ZINC001601135317	1168592383	/nfs/dbraw/zinc/59/23/83/1168592383.db2.gz	PGJVJCKGYQZDHC-GFCCVEGCSA-N	-1	0	313.317	0.352	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NC[C@@H]1CCCS(=O)(=O)C1	ZINC001601133069	1168592865	/nfs/dbraw/zinc/59/28/65/1168592865.db2.gz	LDSAHRDBHMERFD-VIFPVBQESA-N	-1	0	309.347	0.888	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC001601135819	1168593905	/nfs/dbraw/zinc/59/39/05/1168593905.db2.gz	PLHOODXAXDWUJN-NSHDSACASA-N	-1	0	316.360	0.532	20	30		DCEDRM
O=C([O-])c1nccc(N2CC[C@@H](CNC(=O)C#CC3CC3)C2)n1	ZINC001601224541	1168666042	/nfs/dbraw/zinc/66/60/42/1168666042.db2.gz	VQTVOYJEMMLSJN-LBPRGKRZSA-N	-1	0	314.345	0.531	20	30		DCEDRM
O=C([O-])[C@@H]1COCCN1C(=O)C(=O)/C=C\c1ccc(F)cc1	ZINC001601238978	1168673365	/nfs/dbraw/zinc/67/33/65/1168673365.db2.gz	PYXNWPRFOILURA-RYBZSIHZSA-N	-1	0	307.277	0.720	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC001602681562	1169156877	/nfs/dbraw/zinc/15/68/77/1169156877.db2.gz	OCFUXKYATJMCQO-VIFPVBQESA-N	-1	0	313.306	0.547	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1)C(=O)[O-]	ZINC001602685139	1169158251	/nfs/dbraw/zinc/15/82/51/1169158251.db2.gz	NJOWTJZTDLUOSX-WPRPVWTQSA-N	-1	0	310.306	0.066	20	30		DCEDRM
C#CC[C@H](NC(=O)CNC(=O)c1cc(C)cc(C)c1)C(=O)[O-]	ZINC001602687089	1169158504	/nfs/dbraw/zinc/15/85/04/1169158504.db2.gz	HWUALTIMRDGMJZ-ZDUSSCGKSA-N	-1	0	302.330	0.626	20	30		DCEDRM
C#CCC1(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CCOCC1	ZINC001602699790	1169164534	/nfs/dbraw/zinc/16/45/34/1169164534.db2.gz	JQXLNRYVBJJRFM-UHFFFAOYSA-N	-1	0	313.331	0.829	20	30		DCEDRM
C#CCCN1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CC1	ZINC001602708633	1169165602	/nfs/dbraw/zinc/16/56/02/1169165602.db2.gz	ZABGARBLRDFNQF-UHFFFAOYSA-N	-1	0	323.374	0.109	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001602701504	1169166111	/nfs/dbraw/zinc/16/61/11/1169166111.db2.gz	LXKCWZBEJBEUQK-GFCCVEGCSA-N	-1	0	317.407	0.715	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001602708641	1169166493	/nfs/dbraw/zinc/16/64/93/1169166493.db2.gz	ZITUKSVGORCPLK-UHFFFAOYSA-N	-1	0	312.347	0.440	20	30		DCEDRM
C#CCN(CC#N)C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001602715524	1169168454	/nfs/dbraw/zinc/16/84/54/1169168454.db2.gz	LLSWJLOGZGWMSM-JTQLQIEISA-N	-1	0	309.322	0.340	20	30		DCEDRM
C#CCNC(=O)CCN(CCC(=O)[O-])CC(=O)OC(C)(C)C	ZINC001602725234	1169172037	/nfs/dbraw/zinc/17/20/37/1169172037.db2.gz	RITCGSHZBNUFJR-UHFFFAOYSA-N	-1	0	312.366	0.244	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001602725785	1169175145	/nfs/dbraw/zinc/17/51/45/1169175145.db2.gz	HUMHTLBCGGXIER-WDEREUQCSA-N	-1	0	320.349	0.472	20	30		DCEDRM
C#CCOc1ccc(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cc1	ZINC001602734324	1169175733	/nfs/dbraw/zinc/17/57/33/1169175733.db2.gz	OIRMQPJRORKZDD-XBXGTLAGSA-N	-1	0	323.370	0.981	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001602743937	1169177912	/nfs/dbraw/zinc/17/79/12/1169177912.db2.gz	ZNFDONMCRPJTIR-ZIAGYGMSSA-N	-1	0	315.325	0.543	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1)OCC	ZINC001602744652	1169178021	/nfs/dbraw/zinc/17/80/21/1169178021.db2.gz	IAVAYIOIGFDOEM-UTUOFQBUSA-N	-1	0	313.350	0.690	20	30		DCEDRM
C=C(C)C[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)C(=O)OCC	ZINC001602756475	1169179526	/nfs/dbraw/zinc/17/95/26/1169179526.db2.gz	OQQLHJVNIDMCKB-SECBINFHSA-N	-1	0	303.326	0.388	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC001602815717	1169186558	/nfs/dbraw/zinc/18/65/58/1169186558.db2.gz	DBHQOEZNMKPOBM-JTQLQIEISA-N	-1	0	324.308	0.709	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001602842172	1169190652	/nfs/dbraw/zinc/19/06/52/1169190652.db2.gz	FITXEIJDVAGFSE-SECBINFHSA-N	-1	0	302.352	0.186	20	30		DCEDRM
C=CCCC(=O)NC1(CO)CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001602855803	1169194719	/nfs/dbraw/zinc/19/47/19/1169194719.db2.gz	CHLDHHCQPFYIMG-RYUDHWBXSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001602881205	1169198673	/nfs/dbraw/zinc/19/86/73/1169198673.db2.gz	LUTYNRUNRJJESA-NSHDSACASA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCN1CC[C@@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1=O	ZINC001602901385	1169202084	/nfs/dbraw/zinc/20/20/84/1169202084.db2.gz	HXKFCSPFHDACHS-CYBMUJFWSA-N	-1	0	317.345	0.700	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001602915693	1169203985	/nfs/dbraw/zinc/20/39/85/1169203985.db2.gz	RMFQCHFRPQUBAT-LBPRGKRZSA-N	-1	0	310.331	0.492	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCCCNc1ncc(C(=O)[O-])cn1	ZINC001602940340	1169214188	/nfs/dbraw/zinc/21/41/88/1169214188.db2.gz	TUXVITLIXZIQIX-NEPJUHHUSA-N	-1	0	320.349	0.684	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001602946131	1169217403	/nfs/dbraw/zinc/21/74/03/1169217403.db2.gz	PAHJZWTZTXIEGA-BTJONVMOSA-N	-1	0	324.377	0.472	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1	ZINC001602981331	1169224460	/nfs/dbraw/zinc/22/44/60/1169224460.db2.gz	DJUXUHWUJDPZBG-KOLCDFICSA-N	-1	0	312.337	0.434	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@@H](CN(C)c2ccnc(C(=O)[O-])n2)C1	ZINC001603129926	1169250019	/nfs/dbraw/zinc/25/00/19/1169250019.db2.gz	PHOVWGGQBYIDLZ-QWRGUYRKSA-N	-1	0	317.349	0.619	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@H]21	ZINC001603129157	1169250967	/nfs/dbraw/zinc/25/09/67/1169250967.db2.gz	AORIGNQPYUCLCX-PDEGPIFNSA-N	-1	0	315.333	0.133	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC001603129181	1169251008	/nfs/dbraw/zinc/25/10/08/1169251008.db2.gz	BJHXCCFQFOVKIW-JTQLQIEISA-N	-1	0	303.318	0.918	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@](C)(CNc2ccnc(C(=O)[O-])n2)C1	ZINC001603129378	1169251099	/nfs/dbraw/zinc/25/10/99/1169251099.db2.gz	DZQFNLGRECVGAE-ZUZCIYMTSA-N	-1	0	317.349	0.407	20	30		DCEDRM
C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccn1)n1cnc(C#N)n1	ZINC001603153040	1169256247	/nfs/dbraw/zinc/25/62/47/1169256247.db2.gz	GMCITAOWUZUUCY-KCJUWKMLSA-N	-1	0	300.278	0.048	20	30		DCEDRM
C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1F)n1cnc(C#N)n1	ZINC001603154143	1169259167	/nfs/dbraw/zinc/25/91/67/1169259167.db2.gz	YFLLDNOXDUIUJF-PELKAZGASA-N	-1	0	317.280	0.792	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@@H](C)N(C)c1ncc(C(=O)[O-])cn1	ZINC001603700132	1169365061	/nfs/dbraw/zinc/36/50/61/1169365061.db2.gz	MJPMGAYXNDTADY-LLVKDONJSA-N	-1	0	304.350	0.775	20	30		DCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1(C#N)CC1	ZINC001603917788	1169435733	/nfs/dbraw/zinc/43/57/33/1169435733.db2.gz	OVRYCYFRQUNTGE-JTQLQIEISA-N	-1	0	304.368	0.430	20	30		DCEDRM
C[C@@](CO)(NS(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)[O-]	ZINC001604198583	1169522204	/nfs/dbraw/zinc/52/22/04/1169522204.db2.gz	JGAKKKXTPFGKOZ-ZDUSSCGKSA-N	-1	0	312.347	0.008	20	30		DCEDRM
C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N(CC#N)CC(=O)[O-]	ZINC001604300846	1169551541	/nfs/dbraw/zinc/55/15/41/1169551541.db2.gz	NIBWPOXUGQASRM-VHSXEESVSA-N	-1	0	313.354	0.972	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CCO1	ZINC001604484489	1169601878	/nfs/dbraw/zinc/60/18/78/1169601878.db2.gz	IPZRBJWLVQCICF-LBPRGKRZSA-N	-1	0	311.319	0.083	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc(C#N)cn2)C1	ZINC001604496539	1169604952	/nfs/dbraw/zinc/60/49/52/1169604952.db2.gz	PFMOBGSMUOXJCN-ZDUSSCGKSA-N	-1	0	309.347	0.829	20	30		DCEDRM
CC1(C)[C@H](O)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001604509077	1169607620	/nfs/dbraw/zinc/60/76/20/1169607620.db2.gz	PFJUXVGLZRJPJR-NWDGAFQWSA-N	-1	0	324.358	0.694	20	30		DCEDRM
C[C@]12CN(c3ccc(C(=O)[O-])nc3C#N)C[C@]1(C)C(=O)NC2=O	ZINC001604605100	1169628711	/nfs/dbraw/zinc/62/87/11/1169628711.db2.gz	ARNXEYBJPRSXQM-HUUCEWRRSA-N	-1	0	314.301	0.140	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)COC(=O)c1cccc(C#N)n1)C(=O)[O-]	ZINC001604935188	1169753621	/nfs/dbraw/zinc/75/36/21/1169753621.db2.gz	HJEGHXNQUBGTDR-ZANVPECISA-N	-1	0	319.317	0.726	20	30		DCEDRM
CCCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cnc(C#N)cn1	ZINC001605316429	1169893192	/nfs/dbraw/zinc/89/31/92/1169893192.db2.gz	RHONJAMXDHESRA-RYUDHWBXSA-N	-1	0	317.349	0.402	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC001605417816	1169915327	/nfs/dbraw/zinc/91/53/27/1169915327.db2.gz	IPTFFHTTXZDVTL-WFASDCNBSA-N	-1	0	321.381	0.324	20	30		DCEDRM
CCOC(=O)N1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001605552653	1169959571	/nfs/dbraw/zinc/95/95/71/1169959571.db2.gz	VUNMOTBFKHRGOO-UHFFFAOYSA-N	-1	0	304.306	0.930	20	30		DCEDRM
CCS(=O)(=O)c1ccc(C(=O)N(CC#N)CCC(=O)[O-])cc1	ZINC001605732460	1169995742	/nfs/dbraw/zinc/99/57/42/1169995742.db2.gz	ZWCQMAHQQWYODY-UHFFFAOYSA-N	-1	0	324.358	0.921	20	30		DCEDRM
Cc1ccc([C@@H](O)CNc2cnc(C#N)c(-c3nnn[n-]3)n2)o1	ZINC001605827078	1170009049	/nfs/dbraw/zinc/00/90/49/1170009049.db2.gz	CROOVYCHCSICDT-VIFPVBQESA-N	-1	0	312.293	0.575	20	30		DCEDRM
CCc1nncn1CCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001605873690	1170019126	/nfs/dbraw/zinc/01/91/26/1170019126.db2.gz	KXNNPEJDIPACJG-UHFFFAOYSA-N	-1	0	320.353	0.240	20	30		DCEDRM
CN(CCCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001606121863	1170083884	/nfs/dbraw/zinc/08/38/84/1170083884.db2.gz	UJPGVFLUMGEMDG-GHMZBOCLSA-N	-1	0	317.349	0.354	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CC(O)(CC#N)C1	ZINC001606345389	1170165455	/nfs/dbraw/zinc/16/54/55/1170165455.db2.gz	YDISZTVCGTUCGZ-GFCCVEGCSA-N	-1	0	304.302	0.559	20	30		DCEDRM
N#Cc1nc(NC(=O)c2c(F)ccnc2F)[n-]c1-c1nn[nH]n1	ZINC001606355621	1170169331	/nfs/dbraw/zinc/16/93/31/1170169331.db2.gz	IOAKXJHUVNPPPZ-UHFFFAOYSA-N	-1	0	317.219	0.387	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@H]2c2ncon2)nc1-c1nnn[n-]1	ZINC001606397562	1170183204	/nfs/dbraw/zinc/18/32/04/1170183204.db2.gz	UNWXVWUSTCCLTK-QMMMGPOBSA-N	-1	0	310.281	0.253	20	30		DCEDRM
N#Cc1ncc(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)nc1-c1nnn[n-]1	ZINC001606398070	1170184156	/nfs/dbraw/zinc/18/41/56/1170184156.db2.gz	KJQLWZXNSZKIQM-YHLJOQRGSA-N	-1	0	310.321	0.364	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC001606463653	1170214645	/nfs/dbraw/zinc/21/46/45/1170214645.db2.gz	CXZAOMWIDNONLX-LLVKDONJSA-N	-1	0	318.329	0.823	20	30		DCEDRM
COCCN(CCC#N)C(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001606884750	1170322255	/nfs/dbraw/zinc/32/22/55/1170322255.db2.gz	NAONHQNVYKIPQZ-UHFFFAOYSA-N	-1	0	321.337	0.921	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)c1csnc1C(=O)[O-]	ZINC001606885100	1170322326	/nfs/dbraw/zinc/32/23/26/1170322326.db2.gz	DDEFLMXTULWCKN-UHFFFAOYSA-N	-1	0	319.364	0.392	20	30		DCEDRM
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)O[C@H]1CNOC1	ZINC001607529362	1170474352	/nfs/dbraw/zinc/47/43/52/1170474352.db2.gz	GLXQOGASRUAKCH-QMMMGPOBSA-N	-1	0	321.738	0.955	20	30		DCEDRM
Cc1cc(C(=O)N(CC#N)CC(=O)[O-])nc(C(F)(F)F)n1	ZINC001607569942	1170477678	/nfs/dbraw/zinc/47/76/78/1170477678.db2.gz	IFHWBGKUBMRANB-UHFFFAOYSA-N	-1	0	302.212	0.854	20	30		DCEDRM
Cc1cc(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)ccc1C#N	ZINC001607658041	1170490017	/nfs/dbraw/zinc/49/00/17/1170490017.db2.gz	OHMYVJAYQVRZRS-UHFFFAOYSA-N	-1	0	323.312	0.906	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)cnc1N	ZINC001607704247	1170497823	/nfs/dbraw/zinc/49/78/23/1170497823.db2.gz	OVWZXNBGWCZLMI-UHFFFAOYSA-N	-1	0	324.362	0.351	20	30		DCEDRM
Cc1nc(N(C)CCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])ccc1C#N	ZINC001607961662	1170533927	/nfs/dbraw/zinc/53/39/27/1170533927.db2.gz	WGAVAPSJKQNRCA-OLZOCXBDSA-N	-1	0	316.361	0.877	20	30		DCEDRM
Cc1occc(=O)c1OCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001608056562	1170561978	/nfs/dbraw/zinc/56/19/78/1170561978.db2.gz	XXTXBNFGJLUAKE-UHFFFAOYSA-N	-1	0	320.301	0.544	20	30		DCEDRM
Cn1c(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1C(=O)[O-]	ZINC001608086496	1170567940	/nfs/dbraw/zinc/56/79/40/1170567940.db2.gz	DAVSHMKQAPJXHF-IINYFYTJSA-N	-1	0	323.374	0.093	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC001608093468	1170569186	/nfs/dbraw/zinc/56/91/86/1170569186.db2.gz	GYCNWZQSZJUDKC-JQWIXIFHSA-N	-1	0	305.334	0.896	20	30		DCEDRM
N#C[C@H](c1ccccc1)N1CCN(C(=O)COCC(=O)[O-])CC1	ZINC001608173929	1170609027	/nfs/dbraw/zinc/60/90/27/1170609027.db2.gz	PCXKBRWAXQPTIM-CQSZACIVSA-N	-1	0	317.345	0.497	20	30		DCEDRM
N#C[C@]1(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)CCCOC1	ZINC001608172600	1170609078	/nfs/dbraw/zinc/60/90/78/1170609078.db2.gz	ZAEZJOQJIYFQBT-ZUZCIYMTSA-N	-1	0	318.333	0.853	20	30		DCEDRM
N#C[C@@]1(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)CCCOC1	ZINC001608172596	1170609348	/nfs/dbraw/zinc/60/93/48/1170609348.db2.gz	ZAEZJOQJIYFQBT-BONVTDFDSA-N	-1	0	318.333	0.853	20	30		DCEDRM
N#CCCN(CCC#N)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001608182685	1170611278	/nfs/dbraw/zinc/61/12/78/1170611278.db2.gz	IKASNXFIFCKZRN-UHFFFAOYSA-N	-1	0	308.319	0.598	20	30		DCEDRM
N#CCCCNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001608181877	1170611341	/nfs/dbraw/zinc/61/13/41/1170611341.db2.gz	VJEMJAGBFYCMJN-UHFFFAOYSA-N	-1	0	304.306	0.926	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001608187744	1170612624	/nfs/dbraw/zinc/61/26/24/1170612624.db2.gz	DIRJFWSNKIZSJG-UHFFFAOYSA-N	-1	0	313.291	0.584	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1	ZINC001608186339	1170612988	/nfs/dbraw/zinc/61/29/88/1170612988.db2.gz	LBWARUBZPGKXSG-NWDGAFQWSA-N	-1	0	316.379	0.574	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001608188922	1170613080	/nfs/dbraw/zinc/61/30/80/1170613080.db2.gz	QCAAPUFBAKLPKA-QWHCGFSZSA-N	-1	0	318.329	0.425	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])cc1O	ZINC001608200148	1170614170	/nfs/dbraw/zinc/61/41/70/1170614170.db2.gz	DRDVYNPXQSGCFQ-LLVKDONJSA-N	-1	0	320.301	0.600	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@@H](C(=O)[O-])c2cccnc2)cc1	ZINC001608201960	1170615345	/nfs/dbraw/zinc/61/53/45/1170615345.db2.gz	JUNUKSVLQSUOLM-KGLIPLIRSA-N	-1	0	311.297	0.929	20	30		DCEDRM
N#Cc1cccc([C@H](C(=O)[O-])N2CCN3C(=O)OC[C@@H]3C2)c1	ZINC001608215958	1170617575	/nfs/dbraw/zinc/61/75/75/1170617575.db2.gz	UOIJJZKUPAFLBR-QWHCGFSZSA-N	-1	0	301.302	0.820	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCN(c2ccc(N)nc2)CC1	ZINC001608224329	1170619549	/nfs/dbraw/zinc/61/95/49/1170619549.db2.gz	VPMGINFMHHZXOB-UHFFFAOYSA-N	-1	0	324.344	0.955	20	30		DCEDRM
O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(CC#Cc2ccc(F)cc2)C1	ZINC001608610621	1170719043	/nfs/dbraw/zinc/71/90/43/1170719043.db2.gz	JEWDOMUSLDIPAO-HUUCEWRRSA-N	-1	0	316.332	0.698	20	30		DCEDRM
C=CC[C@@H](CC)NS(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001609053345	1170793959	/nfs/dbraw/zinc/79/39/59/1170793959.db2.gz	JEJURWOVMXZESQ-SECBINFHSA-N	-1	0	308.367	0.895	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)C(=O)[O-]	ZINC001609076520	1170801167	/nfs/dbraw/zinc/80/11/67/1170801167.db2.gz	ORCXFVRYWNOSGK-ZJUUUORDSA-N	-1	0	312.391	0.527	20	30		DCEDRM
CC(C)c1nc(-c2nn[nH]n2)c([N-]N=C2CCN(C)C2=O)o1	ZINC001609106064	1170811617	/nfs/dbraw/zinc/81/16/17/1170811617.db2.gz	HEJKATXNHDLUPL-UHFFFAOYSA-N	-1	0	304.314	0.608	20	30		DCEDRM
Cc1cc(C(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)c(C)n1C	ZINC001609393620	1170963997	/nfs/dbraw/zinc/96/39/97/1170963997.db2.gz	JHQWQNKSYBGQFP-UHFFFAOYSA-N	-1	0	310.321	0.773	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)[O-]	ZINC001609432259	1170973530	/nfs/dbraw/zinc/97/35/30/1170973530.db2.gz	KZIVKCCOHHYKLU-CHWSQXEVSA-N	-1	0	319.313	0.540	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C1CCN(CC(F)F)CC1)C(=O)[O-]	ZINC001609432484	1170973824	/nfs/dbraw/zinc/97/38/24/1170973824.db2.gz	WGIWJVCMCYILAJ-LLVKDONJSA-N	-1	0	320.336	0.736	20	30		DCEDRM
N#Cc1nc(NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[n-]c1C#N	ZINC001609500821	1170999441	/nfs/dbraw/zinc/99/94/41/1170999441.db2.gz	ANKKKSGUCCJPJU-UHFFFAOYSA-N	-1	0	319.288	0.514	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCC([C@H](O)C(=O)[O-])CC1	ZINC001609992551	1171132289	/nfs/dbraw/zinc/13/22/89/1171132289.db2.gz	BWZFEQZSWFGPHT-RISCZKNCSA-N	-1	0	311.382	0.152	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NC1CCC(C(=O)[O-])CC1	ZINC001610000336	1171134410	/nfs/dbraw/zinc/13/44/10/1171134410.db2.gz	OJTDILTUSKJHBD-UHFFFAOYSA-N	-1	0	303.384	0.700	20	30		DCEDRM
CCO[C@H]1C[C@](NCC(=O)NC2(C#N)CCC2)(C(=O)[O-])C1(C)C	ZINC001610031923	1171143839	/nfs/dbraw/zinc/14/38/39/1171143839.db2.gz	MREYTXVNVBOYOE-ZBEGNZNMSA-N	-1	0	323.393	0.797	20	30		DCEDRM
CN1CC[C@@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1=O	ZINC001610128830	1171164852	/nfs/dbraw/zinc/16/48/52/1171164852.db2.gz	DPBRPXWHAAAPHA-VXGBXAGGSA-N	-1	0	302.286	0.705	20	30		DCEDRM
COCC[C@](C)(C#N)NS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001610253321	1171208800	/nfs/dbraw/zinc/20/88/00/1171208800.db2.gz	AUZSWVSTZRVNDY-LLVKDONJSA-N	-1	0	302.308	0.575	20	30		DCEDRM
COc1ccc([C@@H](NC(=O)CSCC#N)C(=O)[O-])cc1O	ZINC001610321625	1171219766	/nfs/dbraw/zinc/21/97/66/1171219766.db2.gz	LRHPRWLZUKTHFH-GFCCVEGCSA-N	-1	0	310.331	0.899	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)c1C#N	ZINC001610526241	1171247212	/nfs/dbraw/zinc/24/72/12/1171247212.db2.gz	ZQDUPPLOZISXHS-LLVKDONJSA-N	-1	0	324.358	0.731	20	30		DCEDRM
N#CC1(NC(=O)CN2CCOC[C@H]2CC(=O)[O-])CCCCC1	ZINC001610619873	1171270608	/nfs/dbraw/zinc/27/06/08/1171270608.db2.gz	DHWPOHVFRNNPOT-GFCCVEGCSA-N	-1	0	309.366	0.505	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cc1	ZINC001610624397	1171271212	/nfs/dbraw/zinc/27/12/12/1171271212.db2.gz	NVXXXWPZFKVTTD-STQMWFEESA-N	-1	0	324.358	0.351	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cnc2c(c1)NC(=O)CS2	ZINC001610622394	1171271246	/nfs/dbraw/zinc/27/12/46/1171271246.db2.gz	FZNXWUWGPHVRAP-UHFFFAOYSA-N	-1	0	306.303	0.176	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1	ZINC001610624394	1171271486	/nfs/dbraw/zinc/27/14/86/1171271486.db2.gz	NVXXXWPZFKVTTD-OLZOCXBDSA-N	-1	0	324.358	0.351	20	30		DCEDRM
N#CCCNC(=O)COC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001610621895	1171271512	/nfs/dbraw/zinc/27/15/12/1171271512.db2.gz	ZFZOEKMVGQTYIE-UHFFFAOYSA-N	-1	0	306.274	0.337	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)[nH]1	ZINC001610626808	1171272400	/nfs/dbraw/zinc/27/24/00/1171272400.db2.gz	WCARBQFYENYQGZ-SNVBAGLBSA-N	-1	0	314.305	0.653	20	30		DCEDRM
N#Cc1cccc(NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)n1	ZINC001610631058	1171272944	/nfs/dbraw/zinc/27/29/44/1171272944.db2.gz	MYVWYHAAKRNLNX-GFCCVEGCSA-N	-1	0	304.306	0.643	20	30		DCEDRM
NS(=O)(=O)c1ccc(N=NCc2ccc(C(=O)[O-])o2)nc1	ZINC001610646321	1171281144	/nfs/dbraw/zinc/28/11/44/1171281144.db2.gz	CKKXHAIPPWIFDI-UHFFFAOYSA-N	-1	0	310.291	0.466	20	30		DCEDRM
O=C([O-])c1cncnc1NCCNC(=O)C1N=CC=CC1=O	ZINC001610884186	1171348743	/nfs/dbraw/zinc/34/87/43/1171348743.db2.gz	MRVSTWOGJSPPJN-BENRWUELSA-N	-1	0	303.278	0.113	20	30		DCEDRM
C#Cc1ccc(C(=O)Nc2nn3c([n-]2)nc(CCC)cc3=O)nc1	ZINC001623442773	1171439055	/nfs/dbraw/zinc/43/90/55/1171439055.db2.gz	GBBXFXWUQCNZQA-UHFFFAOYSA-N	-1	0	322.328	0.999	20	30		DCEDRM
Cc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c(O)c1	ZINC001624308802	1171454547	/nfs/dbraw/zinc/45/45/47/1171454547.db2.gz	BBWODNXIAHEBNQ-UHFFFAOYSA-N	-1	0	300.274	0.473	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)c2cn(C(F)(F)CO)nn2)c1	ZINC001633076677	1171632508	/nfs/dbraw/zinc/63/25/08/1171632508.db2.gz	FESXKELKMDSFOM-UHFFFAOYSA-N	-1	0	309.232	0.649	20	30		DCEDRM
Cn1[n-]c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1=O	ZINC001633596639	1171648844	/nfs/dbraw/zinc/64/88/44/1171648844.db2.gz	LEUUSYCWIWHCKB-UHFFFAOYSA-N	-1	0	309.289	0.830	20	30		DCEDRM
O=C(CN1CCSC1=O)[N-]S(=O)(=O)C1CCOCC1	ZINC000049515244	1171694267	/nfs/dbraw/zinc/69/42/67/1171694267.db2.gz	SPLNELPOYIQUGH-UHFFFAOYSA-N	-1	0	308.381	0.621	20	30		DCEDRM
CC(C)OCCCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001637092416	1171758484	/nfs/dbraw/zinc/75/84/84/1171758484.db2.gz	SLOVQEAOBJIBOE-UHFFFAOYSA-N	-1	0	322.365	0.532	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC001639674050	1171847032	/nfs/dbraw/zinc/84/70/32/1171847032.db2.gz	LKUASWZXEQLMQQ-SNVBAGLBSA-N	-1	0	309.347	0.459	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)Cc3cccs3)C2)c(=O)[n-]c1=O	ZINC001646626469	1172446196	/nfs/dbraw/zinc/44/61/96/1172446196.db2.gz	TYROREKZYHRPKD-UHFFFAOYSA-N	-1	0	316.342	0.508	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCc3cc(F)ccc3C2)c(C#N)c1=O	ZINC001647630786	1173007389	/nfs/dbraw/zinc/00/73/89/1173007389.db2.gz	HESUXKFZHXOBQT-UHFFFAOYSA-N	-1	0	300.293	0.647	20	30		DCEDRM
Cc1cccc([C@@H]2CCCN2c2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001647631438	1173007715	/nfs/dbraw/zinc/00/77/15/1173007715.db2.gz	QNJWNTNYSDLCHD-ZDUSSCGKSA-N	-1	0	311.345	0.990	20	30		DCEDRM
C=CC[S@](=O)(=NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1	ZINC001648461694	1173074928	/nfs/dbraw/zinc/07/49/28/1173074928.db2.gz	OTXCYVIMNZSHNO-JOCHJYFZSA-N	-1	0	322.346	0.929	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001673059277	1175170789	/nfs/dbraw/zinc/17/07/89/1175170789.db2.gz	LQMBTRGSJPFYMG-NHYWBVRUSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=C[C@H](C)[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1	ZINC001679099349	1175700836	/nfs/dbraw/zinc/70/08/36/1175700836.db2.gz	XFEZVVXFNPPZAU-BJDJZHNGSA-N	-1	0	305.382	0.888	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@H]2C=CCCC2)c(=O)[n-]c1=O	ZINC001680384738	1175814529	/nfs/dbraw/zinc/81/45/29/1175814529.db2.gz	QRFVKZDRSAFRPS-NSHDSACASA-N	-1	0	303.322	0.228	20	30		DCEDRM
N#CCN(CCCNC(=O)c1c[n-]n2c1nccc2=O)C1CC1	ZINC001713773368	1181058882	/nfs/dbraw/zinc/05/88/82/1181058882.db2.gz	SUPWNXQGZBGSFB-UHFFFAOYSA-N	-1	0	314.349	0.130	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)CCCN(C)CC#N)cc1=O	ZINC001717208274	1182730692	/nfs/dbraw/zinc/73/06/92/1182730692.db2.gz	ASQIZBZWKOFONR-UHFFFAOYSA-N	-1	0	321.425	0.679	20	30		DCEDRM
C=C(C)CCC(=O)N(CC)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001721160579	1183850539	/nfs/dbraw/zinc/85/05/39/1183850539.db2.gz	NPBZKVKNHWLPCU-UHFFFAOYSA-N	-1	0	323.353	0.217	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001721937038	1184116000	/nfs/dbraw/zinc/11/60/00/1184116000.db2.gz	IQRKMHZCPXHEGB-GXSJLCMTSA-N	-1	0	324.381	0.639	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001725626791	1184917395	/nfs/dbraw/zinc/91/73/95/1184917395.db2.gz	QJEXZLNPAJPCFL-NEPJUHHUSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001725633608	1184921519	/nfs/dbraw/zinc/92/15/19/1184921519.db2.gz	FABXVOHSGRZTCZ-GHMZBOCLSA-N	-1	0	309.370	0.182	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001725963913	1185057566	/nfs/dbraw/zinc/05/75/66/1185057566.db2.gz	MDWKBKZKZQUIEZ-RFAUZJTJSA-N	-1	0	324.381	0.328	20	30		DCEDRM
CN(CC(=O)[N-]S(=O)(=O)CCCC#N)Cc1ccccc1	ZINC000181294587	1185179639	/nfs/dbraw/zinc/17/96/39/1185179639.db2.gz	GIKDZMMOWHGPMT-UHFFFAOYSA-N	-1	0	309.391	0.868	20	30		DCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)nc1	ZINC000194412559	1188157916	/nfs/dbraw/zinc/15/79/16/1188157916.db2.gz	MTLZPRTUCZPYMP-NSHDSACASA-N	-1	0	302.334	0.809	20	30		DCEDRM
C[C@H]1[C@H](Nc2ccc(CS)cc2)C(=O)N1S(=O)(=O)[O-]	ZINC001167861841	748445648	/nfs/dbraw/zinc/44/56/48/748445648.db2.gz	PFMIITPOPATSSK-XVKPBYJWSA-N	-1	0	302.377	0.930	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nnccc1Cl	ZINC001227791709	749306187	/nfs/dbraw/zinc/30/61/87/749306187.db2.gz	NHUZBISQGDKWQW-QMMMGPOBSA-N	-1	0	308.743	0.968	20	30		DCEDRM
CC#CCN1CCO[C@](C)(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001107871572	752460258	/nfs/dbraw/zinc/46/02/58/752460258.db2.gz	IDYSYFJGCCJZKU-OAHLLOKOSA-N	-1	0	306.366	0.268	20	30		DCEDRM
C#CCCCC(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001107901438	752506550	/nfs/dbraw/zinc/50/65/50/752506550.db2.gz	PNTGIJYGKSONMM-HNNXBMFYSA-N	-1	0	321.381	0.021	20	30		DCEDRM
C#C[C@](C)(CC)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000822640847	758204167	/nfs/dbraw/zinc/20/41/67/758204167.db2.gz	VMYKQHDRMZMHPF-CYBMUJFWSA-N	-1	0	322.346	0.516	20	30		DCEDRM
CS(=O)(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC001122706924	767860776	/nfs/dbraw/zinc/86/07/76/767860776.db2.gz	FZYQEIUDHNBWON-LBPRGKRZSA-N	-1	0	306.343	0.691	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)C2)c1[O-]	ZINC001058327892	759893917	/nfs/dbraw/zinc/89/39/17/759893917.db2.gz	GYVFWJWZNOSKQG-NSHDSACASA-N	-1	0	312.333	0.699	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001132019749	764200095	/nfs/dbraw/zinc/20/00/95/764200095.db2.gz	ABTRTGHLISUZQS-NWDGAFQWSA-N	-1	0	305.382	0.639	20	30		DCEDRM
C[C@H](C[C@H](C)NCC#N)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001135934232	766175472	/nfs/dbraw/zinc/17/54/72/766175472.db2.gz	FHRRNQOXLBXFTB-DTWKUNHWSA-N	-1	0	303.322	0.938	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCN(CC#N)CC2)cc1C#N	ZINC001136861747	766561248	/nfs/dbraw/zinc/56/12/48/766561248.db2.gz	JZQHQJXTOWPKCI-UHFFFAOYSA-N	-1	0	317.374	0.662	20	30		DCEDRM
Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)N3C)[n-]1	ZINC001231261284	769211390	/nfs/dbraw/zinc/21/13/90/769211390.db2.gz	AETIBYNYKBULHR-UHSPONAGSA-N	-1	0	307.306	0.995	20	30		DCEDRM
CN(C)C(=O)CN1CCN(Cc2cc(C#N)ccc2[O-])CC1	ZINC001232678504	769332234	/nfs/dbraw/zinc/33/22/34/769332234.db2.gz	AYFSRGOZCXHRJK-UHFFFAOYSA-N	-1	0	302.378	0.470	20	30		DCEDRM
CC[C@H]1OC(C)=C(Oc2c(C(=O)OC)n[n-]c2C(=O)OC)C1=O	ZINC001234191372	769579626	/nfs/dbraw/zinc/57/96/26/769579626.db2.gz	ZOKSQGJOVYJKES-SSDOTTSWSA-N	-1	0	324.289	0.971	20	30		DCEDRM
C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1nnn[n-]1	ZINC001176845984	770215388	/nfs/dbraw/zinc/21/53/88/770215388.db2.gz	VFXWVFKBMZQRKT-LBPRGKRZSA-N	-1	0	315.333	0.199	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)C(=O)OC	ZINC001177964312	770580121	/nfs/dbraw/zinc/58/01/21/770580121.db2.gz	HFFUGVXBOYAWIF-LLVKDONJSA-N	-1	0	318.333	0.650	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1	ZINC001181470066	771291267	/nfs/dbraw/zinc/29/12/67/771291267.db2.gz	ZKXUSMRFJBPFOB-GHMZBOCLSA-N	-1	0	309.370	0.182	20	30		DCEDRM
N#Cc1n[nH]cc1NC(=O)COc1ccc(OCC(=O)[O-])cc1	ZINC001183901582	771715477	/nfs/dbraw/zinc/71/54/77/771715477.db2.gz	ALBMKMHNHCKWST-UHFFFAOYSA-N	-1	0	316.273	0.762	20	30		DCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NCCC(=O)N1CCOCC1	ZINC001184240942	771761856	/nfs/dbraw/zinc/76/18/56/771761856.db2.gz	IPWWRCHTUWIGCG-UHFFFAOYSA-N	-1	0	305.354	0.401	20	30		DCEDRM
O=C(CCC(=O)N1CCC2(CC1)COCC(=O)N2)C1=CC=C[CH]1	ZINC001184243822	771762645	/nfs/dbraw/zinc/76/26/45/771762645.db2.gz	DYGTYHXBNRWRFH-UHFFFAOYSA-N	-1	0	317.365	0.544	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001158805606	771824072	/nfs/dbraw/zinc/82/40/72/771824072.db2.gz	CGBOPCPKPJJMMW-LBPRGKRZSA-N	-1	0	312.329	0.894	20	30		DCEDRM
N#Cc1cn(C2CN(c3ccncc3[N+](=O)[O-])C2)c(=O)[n-]c1=O	ZINC001187053152	772126537	/nfs/dbraw/zinc/12/65/37/772126537.db2.gz	XGAUIEAKXURZQX-UHFFFAOYSA-N	-1	0	314.261	0.185	20	30		DCEDRM
CNC(=O)NCCNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001162812108	772421255	/nfs/dbraw/zinc/42/12/55/772421255.db2.gz	CUTDFOHWTWLSNY-UHFFFAOYSA-N	-1	0	309.351	0.040	20	30		DCEDRM
N#C[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)C(N)=O	ZINC001189551985	772492725	/nfs/dbraw/zinc/49/27/25/772492725.db2.gz	LHBZPGGCUSPUIR-SECBINFHSA-N	-1	0	321.280	0.502	20	30		DCEDRM
C=CC[C@H]([N-]S(=O)(=O)c1ncc(F)cc1F)C(=O)OC	ZINC001190207558	772607195	/nfs/dbraw/zinc/60/71/95/772607195.db2.gz	RAMMKZKSJWLNOU-VIFPVBQESA-N	-1	0	306.290	0.756	20	30		DCEDRM
N#CCC1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1	ZINC001192678273	772947446	/nfs/dbraw/zinc/94/74/46/772947446.db2.gz	VAXLDIILQXDTKN-UHFFFAOYSA-N	-1	0	310.331	0.684	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1cnc2cc(C3CCOCC3)nn2c1	ZINC001192943722	772976719	/nfs/dbraw/zinc/97/67/19/772976719.db2.gz	VBWLOLYCUSDQCF-UHFFFAOYSA-N	-1	0	321.362	0.889	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1ccc2nnc(C3CCOCC3)n2c1	ZINC001192943622	772976874	/nfs/dbraw/zinc/97/68/74/772976874.db2.gz	SLTRXILUBIJBMJ-UHFFFAOYSA-N	-1	0	321.362	0.889	20	30		DCEDRM
COC(=O)c1c(OC)ccc(OC)c1[N-]S(=O)(=O)CC#N	ZINC001192985647	772983568	/nfs/dbraw/zinc/98/35/68/772983568.db2.gz	KCYGKMMVMWDBCW-UHFFFAOYSA-N	-1	0	314.319	0.756	20	30		DCEDRM
Cc1c([N-]S(=O)(=O)CC#N)c(=O)n(-c2ccccc2)n1C	ZINC001192993477	772985840	/nfs/dbraw/zinc/98/58/40/772985840.db2.gz	CSHZWOABNRURLG-UHFFFAOYSA-N	-1	0	306.347	0.750	20	30		DCEDRM
COC(=O)C1([N-]S(=O)(=O)[C@H](C)C#N)Cc2ccccc2C1	ZINC001193097469	773004194	/nfs/dbraw/zinc/00/41/94/773004194.db2.gz	MGWBTFGBDRPIIU-SNVBAGLBSA-N	-1	0	308.359	0.528	20	30		DCEDRM
C#Cc1nc(Br)cnc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193105152	773005955	/nfs/dbraw/zinc/00/59/55/773005955.db2.gz	RJHCHCLANXBRGZ-ZCFIWIBFSA-N	-1	0	315.152	0.874	20	30		DCEDRM
CCOC(=O)C1([N-]S(=O)(=O)[C@H](C)C#N)Cc2ccccc2C1	ZINC001193170566	773013359	/nfs/dbraw/zinc/01/33/59/773013359.db2.gz	ODIJHJNQTYMCRK-LLVKDONJSA-N	-1	0	322.386	0.919	20	30		DCEDRM
COc1cc([N-]S(=O)(=O)[C@@H](C)C#N)c(C(N)=O)c(OC)c1	ZINC001193148748	773018223	/nfs/dbraw/zinc/01/82/23/773018223.db2.gz	DGQDVWAGEUOLHW-ZETCQYMHSA-N	-1	0	313.335	0.456	20	30		DCEDRM
COc1cc2nc[nH]c(=O)c2cc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193158577	773019997	/nfs/dbraw/zinc/01/99/97/773019997.db2.gz	RXGCMTWGNFVLAV-ZETCQYMHSA-N	-1	0	308.319	0.998	20	30		DCEDRM
N#Cc1cc(Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)ccn1	ZINC001206626905	773095388	/nfs/dbraw/zinc/09/53/88/773095388.db2.gz	DYKNEIVRLZQPJL-UHFFFAOYSA-N	-1	0	300.299	0.551	20	30		DCEDRM
COc1ccc(C#N)c(S(=O)(=O)NCC[P@@](=O)([O-])O)c1	ZINC001193699457	773105588	/nfs/dbraw/zinc/10/55/88/773105588.db2.gz	XZBHBUBLRPNDRN-UHFFFAOYSA-N	-1	0	320.263	0.023	20	30		DCEDRM
COc1ncnc([N-]S(=O)(=O)c2ccccc2N)c1C#N	ZINC001193899893	773126945	/nfs/dbraw/zinc/12/69/45/773126945.db2.gz	CRKKXGIATZCIFD-UHFFFAOYSA-N	-1	0	305.319	0.740	20	30		DCEDRM
COC(=O)Cn1cc(NC(=O)c2ccc(C#N)cc2[O-])cn1	ZINC001195733253	773463129	/nfs/dbraw/zinc/46/31/29/773463129.db2.gz	GUPLEEZFJXMSHO-UHFFFAOYSA-N	-1	0	300.274	0.886	20	30		DCEDRM
N#Cc1cnc(C(=O)Nc2nc[n-]c(=O)c2Br)cn1	ZINC001199665434	774169932	/nfs/dbraw/zinc/16/99/32/774169932.db2.gz	UNHMYNICCKKLGX-UHFFFAOYSA-N	-1	0	321.094	0.859	20	30		DCEDRM
COC(=O)[C@H](CCO)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001217838626	774202085	/nfs/dbraw/zinc/20/20/85/774202085.db2.gz	UWUYIBQQDRCRBT-AHAXBBEGSA-N	-1	0	313.306	0.780	20	30		DCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1ncnc(OC)c1C#N	ZINC001201905847	774576339	/nfs/dbraw/zinc/57/63/39/774576339.db2.gz	JIUSGBSYBXSGBQ-UHFFFAOYSA-N	-1	0	314.323	0.052	20	30		DCEDRM
C=CCCC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1	ZINC001222427826	775348117	/nfs/dbraw/zinc/34/81/17/775348117.db2.gz	AGELRKQEYZJAJF-NEPJUHHUSA-N	-1	0	305.382	0.899	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001223028193	775453183	/nfs/dbraw/zinc/45/31/83/775453183.db2.gz	ZXHPYKPTZDUSMT-OAHLLOKOSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1nnc(C)s1	ZINC001223340320	775483955	/nfs/dbraw/zinc/48/39/55/775483955.db2.gz	AZPQYUDPHLYDAR-SECBINFHSA-N	-1	0	308.381	0.822	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cnc(CF)nc1	ZINC001225540002	775692566	/nfs/dbraw/zinc/69/25/66/775692566.db2.gz	LSDRGKYZYKSZKB-JTQLQIEISA-N	-1	0	306.315	0.784	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncccc1OC	ZINC001226142861	775771328	/nfs/dbraw/zinc/77/13/28/775771328.db2.gz	RKGNQAUQIBBYAP-SNVBAGLBSA-N	-1	0	303.336	0.928	20	30		DCEDRM
Cc1cc(=O)[n-]c(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)c1C#N	ZINC001226223224	775784925	/nfs/dbraw/zinc/78/49/25/775784925.db2.gz	MXLUYKHQRQMDQE-QMMMGPOBSA-N	-1	0	317.261	0.912	20	30		DCEDRM
N#Cc1cc(Br)cnc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001226283003	775792660	/nfs/dbraw/zinc/79/26/60/775792660.db2.gz	MYCOVHKQLCCQKO-SSDOTTSWSA-N	-1	0	315.079	0.457	20	30		DCEDRM
N#CCN1CC[C@@H](Oc2[n-]c(=O)nnc2Br)C1	ZINC001227063764	775921375	/nfs/dbraw/zinc/92/13/75/775921375.db2.gz	IQUUFRIKEDAOFQ-ZCFIWIBFSA-N	-1	0	300.116	0.316	20	30		DCEDRM
CSc1nc(O[C@@H]2CCN(CC#N)C2)c([N+](=O)[O-])c(=O)[n-]1	ZINC001227629517	775993053	/nfs/dbraw/zinc/99/30/53/775993053.db2.gz	VXOYUXFNSMJWFE-SSDOTTSWSA-N	-1	0	311.323	0.789	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nc2cc[nH]cc-2n1	ZINC001227869208	776018201	/nfs/dbraw/zinc/01/82/01/776018201.db2.gz	MKRCDRRQFIRPDD-SECBINFHSA-N	-1	0	313.335	0.796	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114727386	776074548	/nfs/dbraw/zinc/07/45/48/776074548.db2.gz	VKWSVPGRZQXNLJ-KZWBYHQPSA-N	-1	0	305.382	0.659	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccnc(Cl)n1	ZINC001228950772	776140387	/nfs/dbraw/zinc/14/03/87/776140387.db2.gz	ASQKVRDMTVLBME-MRVPVSSYSA-N	-1	0	308.743	0.968	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1n[nH]c2cccnc21	ZINC001230335615	776282878	/nfs/dbraw/zinc/28/28/78/776282878.db2.gz	WXAVEGVEBZVEQH-SECBINFHSA-N	-1	0	313.335	0.796	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)C(C)C	ZINC001588329110	1166523390	/nfs/dbraw/zinc/52/33/90/1166523390.db2.gz	YDGRCLSWRJGPQT-SECBINFHSA-N	-1	0	306.351	0.198	20	30		DCEDRM
C#CCOC1CCN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001465110034	804108265	/nfs/dbraw/zinc/10/82/65/804108265.db2.gz	ITPUVJUZVPLOED-NEPJUHHUSA-N	-1	0	301.364	0.294	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)[C@@H]1CCCO1	ZINC001602678710	1169156821	/nfs/dbraw/zinc/15/68/21/1169156821.db2.gz	PDABWBYWSCWNRV-MNOVXSKESA-N	-1	0	301.364	0.342	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1)OCC	ZINC001602744653	1169177238	/nfs/dbraw/zinc/17/72/38/1169177238.db2.gz	IAVAYIOIGFDOEM-WOPDTQHZSA-N	-1	0	313.350	0.690	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2ncsc2Br)c1=O	ZINC001413935963	939437223	/nfs/dbraw/zinc/43/72/23/939437223.db2.gz	ZPNSNHSGZFHRFK-UHFFFAOYSA-N	-1	0	313.136	0.676	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001278368496	945252232	/nfs/dbraw/zinc/25/22/32/945252232.db2.gz	BIUCGIMEUVNUDI-ABAIWWIYSA-N	-1	0	323.397	0.572	20	30		DCEDRM
CCCN(C(=O)C#CC(C)C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001267460772	939462515	/nfs/dbraw/zinc/46/25/15/939462515.db2.gz	YTFFQWFOJGLXBU-ZDUSSCGKSA-N	-1	0	319.409	0.983	20	30		DCEDRM
CCO[C@@H]1C[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)[C@@]12CCCO2	ZINC001412878492	942118266	/nfs/dbraw/zinc/11/82/66/942118266.db2.gz	FPZSUBRKQHFXSD-HFAKWTLXSA-N	-1	0	320.349	0.084	20	30		DCEDRM
COC(=O)c1cc(F)ccc1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001412921134	942139703	/nfs/dbraw/zinc/13/97/03/942139703.db2.gz	HRCKSCBKQVHDCS-UHFFFAOYSA-N	-1	0	303.249	0.382	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001611118676	970896996	/nfs/dbraw/zinc/89/69/96/970896996.db2.gz	PXKVGQKVGXIGHA-GFCCVEGCSA-N	-1	0	322.342	0.191	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@H](CNCC#N)C2CC2)cc1=O	ZINC001483572147	942433580	/nfs/dbraw/zinc/43/35/80/942433580.db2.gz	JUZHPEWEXYJNRD-CQSZACIVSA-N	-1	0	319.409	0.383	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C23CCC(CC2)C3)c(=O)[n-]c1=O	ZINC001413308389	942619374	/nfs/dbraw/zinc/61/93/74/942619374.db2.gz	IOOHSHUKOUZMTA-UHFFFAOYSA-N	-1	0	302.334	0.517	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1n[nH]cc1C(=O)N(C)C	ZINC001413536797	943055062	/nfs/dbraw/zinc/05/50/62/943055062.db2.gz	JQSXQGLUYSQLAV-UHFFFAOYSA-N	-1	0	314.305	0.645	20	30		DCEDRM
CC[C@H](CC#N)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001255164156	943235186	/nfs/dbraw/zinc/23/51/86/943235186.db2.gz	KELCLKTUQUTNET-NXEZZACHSA-N	-1	0	311.344	0.695	20	30		DCEDRM
CC1(C)CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)C#CC1CC1	ZINC001484935116	943627364	/nfs/dbraw/zinc/62/73/64/943627364.db2.gz	PFNQEUYYGREFOM-LBPRGKRZSA-N	-1	0	317.393	0.640	20	30		DCEDRM
N#Cc1c(N)nn(C(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)c1N	ZINC001154553466	944151805	/nfs/dbraw/zinc/15/18/05/944151805.db2.gz	VEMJMNXBQZIEGF-UHFFFAOYSA-N	-1	0	319.284	0.321	20	30		DCEDRM
N#CCN[C@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CC1	ZINC001317029714	944750092	/nfs/dbraw/zinc/75/00/92/944750092.db2.gz	KMWUQOSLTPBACX-SNVBAGLBSA-N	-1	0	301.306	0.550	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NC(=O)C#CC2CC2)c1[O-]	ZINC001486681410	945062146	/nfs/dbraw/zinc/06/21/46/945062146.db2.gz	IZICNNWDLROCHL-DTWKUNHWSA-N	-1	0	304.350	0.460	20	30		DCEDRM
CCOC(=O)c1n[nH]cc1C=CC([O-])=C1C(=O)C=C(C)OC1=O	ZINC001319240352	945528712	/nfs/dbraw/zinc/52/87/12/945528712.db2.gz	XYLXRNRMONFMFS-QMAVJUDZSA-N	-1	0	318.285	0.815	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-]	ZINC001321166767	946196316	/nfs/dbraw/zinc/19/63/16/946196316.db2.gz	KUDWXGPIPOIBLH-JQWIXIFHSA-N	-1	0	306.318	0.774	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc(COC)c1	ZINC001602678634	971255763	/nfs/dbraw/zinc/25/57/63/971255763.db2.gz	CNLINBGFCBJGKS-UHFFFAOYSA-N	-1	0	304.302	0.318	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C1CCC(S(C)(=O)=O)CC1	ZINC001602681838	971263119	/nfs/dbraw/zinc/26/31/19/971263119.db2.gz	AWOLVLKJBAWLPO-UHFFFAOYSA-N	-1	0	301.364	0.136	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCCN1C(=O)c1ccco1	ZINC001602681921	971264510	/nfs/dbraw/zinc/26/45/10/971264510.db2.gz	BYBGZHJACIWRHI-GFCCVEGCSA-N	-1	0	318.329	0.821	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O	ZINC001602682226	971267072	/nfs/dbraw/zinc/26/70/72/971267072.db2.gz	JTLIYNANIPTATA-QWHCGFSZSA-N	-1	0	301.298	0.837	20	30		DCEDRM
COC(=O)c1cc([N-]S(=O)(=O)c2cn(C)cn2)ccc1C#N	ZINC001258999807	946885094	/nfs/dbraw/zinc/88/50/94/946885094.db2.gz	GSRSTOATTQYLNZ-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
COCCCO[N-]C(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC001323058214	946918446	/nfs/dbraw/zinc/91/84/46/946918446.db2.gz	BZXSIWNZLCEPDZ-UHFFFAOYSA-N	-1	0	309.326	0.128	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NCCCC[P@](=O)([O-])O)c1	ZINC001259127826	946919196	/nfs/dbraw/zinc/91/91/96/946919196.db2.gz	PHZVEOWZAQLPJY-UHFFFAOYSA-N	-1	0	318.291	0.794	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NC(=O)Nc1ccc(C)c(C)c1	ZINC001602695444	971307606	/nfs/dbraw/zinc/30/76/06/971307606.db2.gz	GGMIRWYOFUGLAZ-UHFFFAOYSA-N	-1	0	317.345	0.971	20	30		DCEDRM
C=CCS(=O)(=O)[N-]c1ncnn2cc(Br)cc12	ZINC001259923557	947021454	/nfs/dbraw/zinc/02/14/54/947021454.db2.gz	QACOBGYFRUYFBW-UHFFFAOYSA-N	-1	0	317.168	0.841	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]c2cnccc2C(N)=O)cc1	ZINC001260038656	947052507	/nfs/dbraw/zinc/05/25/07/947052507.db2.gz	QRCOXXUKSRENFB-UHFFFAOYSA-N	-1	0	316.342	0.994	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)C2CC2)n1CC1CC1	ZINC001602700742	971321838	/nfs/dbraw/zinc/32/18/38/971321838.db2.gz	HHMAPMGJFDSYHX-ZDUSSCGKSA-N	-1	0	304.350	0.656	20	30		DCEDRM
N#Cc1cnn(-c2ccccn2)c1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260954783	947156749	/nfs/dbraw/zinc/15/67/49/947156749.db2.gz	XRQOMMQDQABUBK-UHFFFAOYSA-N	-1	0	315.318	0.663	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)[N-]OCCOC(C)C)nn1CCC#N	ZINC001261214982	947222239	/nfs/dbraw/zinc/22/22/39/947222239.db2.gz	NULPEUSOMJCPSO-UHFFFAOYSA-N	-1	0	323.353	0.517	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001411073650	947295777	/nfs/dbraw/zinc/29/57/77/947295777.db2.gz	BRSLEHMGUDYWBT-VFZGTOFNSA-N	-1	0	319.365	0.552	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1	ZINC001261631235	947377896	/nfs/dbraw/zinc/37/78/96/947377896.db2.gz	NATRWUWBGHXHCP-UHFFFAOYSA-N	-1	0	314.407	0.637	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC001602722789	971389067	/nfs/dbraw/zinc/38/90/67/971389067.db2.gz	PNCIXXCNQGEBGS-MRXNPFEDSA-N	-1	0	304.346	0.790	20	30		DCEDRM
C=CCN1CC[C@H](OC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)C1=O	ZINC001602723128	971394630	/nfs/dbraw/zinc/39/46/30/971394630.db2.gz	NTDBJJMAKVNOKM-TUAOUCFPSA-N	-1	0	311.334	0.586	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001602728974	971399466	/nfs/dbraw/zinc/39/94/66/971399466.db2.gz	SLXHTDDGTODNFO-ZBEGNZNMSA-N	-1	0	318.329	0.820	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCN(c2cnn(C)c2)C1	ZINC001262176478	947592317	/nfs/dbraw/zinc/59/23/17/947592317.db2.gz	OGBZUNFKNOIJDD-NSHDSACASA-N	-1	0	307.354	0.281	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(C)c2ccccc21)C(=O)[O-]	ZINC001262177894	947593231	/nfs/dbraw/zinc/59/32/31/947593231.db2.gz	KAYGVVGDNALQCH-VXGBXAGGSA-N	-1	0	300.314	0.729	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCC[S@](C)=O)cc1C#N	ZINC001262199471	947598440	/nfs/dbraw/zinc/59/84/40/947598440.db2.gz	PHLVHIZPFBXGRK-FQEVSTJZSA-N	-1	0	313.404	0.879	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC001262383037	947667420	/nfs/dbraw/zinc/66/74/20/947667420.db2.gz	MWHDWMMZOSGMSK-LLVKDONJSA-N	-1	0	311.363	0.217	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@H](C)O[C@@H](CC)C1	ZINC001262969997	947791510	/nfs/dbraw/zinc/79/15/10/947791510.db2.gz	XABKIBSUQXORLO-QWRGUYRKSA-N	-1	0	318.381	0.692	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1nnn(Cc2ccncc2)c1C	ZINC001263294340	947828506	/nfs/dbraw/zinc/82/85/06/947828506.db2.gz	SWSWXCCVMNUYPL-ZDUSSCGKSA-N	-1	0	324.344	0.655	20	30		DCEDRM
CCOc1nc(Br)cnc1[N-]S(=O)(=O)CC#N	ZINC001192938928	948005529	/nfs/dbraw/zinc/00/55/29/948005529.db2.gz	IRAMFRQMCSGSBE-UHFFFAOYSA-N	-1	0	321.156	0.903	20	30		DCEDRM
N#CCCCCC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001327130575	948405024	/nfs/dbraw/zinc/40/50/24/948405024.db2.gz	IUECWNQKYIOJQZ-GFCCVEGCSA-N	-1	0	321.377	0.994	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccn(C2CCOCC2)n1	ZINC001327228978	948428455	/nfs/dbraw/zinc/42/84/55/948428455.db2.gz	ZSNKJRUDRHAKDJ-SNVBAGLBSA-N	-1	0	308.338	0.795	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1	ZINC001327813816	948632382	/nfs/dbraw/zinc/63/23/82/948632382.db2.gz	VUOBINAPPVAZEG-UHFFFAOYSA-N	-1	0	318.395	0.036	20	30		DCEDRM
C#C[C@H]1CCCCN1c1nnc(-c2cc(=O)[nH][n-]2)n1CC1CC1	ZINC001263738301	948740023	/nfs/dbraw/zinc/74/00/23/948740023.db2.gz	JTGUWQNBNNBPLB-LBPRGKRZSA-N	-1	0	312.377	0.904	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC([C@H]2COC(=O)N2)CC1	ZINC001602778068	971510665	/nfs/dbraw/zinc/51/06/65/971510665.db2.gz	AKSRFOMGXYOXLY-YGRLFVJLSA-N	-1	0	309.322	0.338	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)c2ccn(C)c2C)n1	ZINC001264026929	948840327	/nfs/dbraw/zinc/84/03/27/948840327.db2.gz	OSESTNXKGVUESP-UHFFFAOYSA-N	-1	0	313.361	0.482	20	30		DCEDRM
CCn1[n-]nnc1=NC(=O)NCc1ccc(C#N)c(Cl)c1	ZINC001364366776	949131931	/nfs/dbraw/zinc/13/19/31/949131931.db2.gz	COBFBJHDAZXPDY-UHFFFAOYSA-N	-1	0	305.729	0.962	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(C(=O)CNC(=O)c1ccc(C#N)cc1)C1CC1	ZINC001602814563	971608461	/nfs/dbraw/zinc/60/84/61/971608461.db2.gz	OIFMTLKJHFAIBO-JTQLQIEISA-N	-1	0	315.329	0.752	20	30		DCEDRM
C[C@@H]1CC[C@@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001364742713	949855335	/nfs/dbraw/zinc/85/53/35/949855335.db2.gz	GIYVPMNOWSKGFI-MWLCHTKSSA-N	-1	0	305.338	0.308	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001329933366	949987478	/nfs/dbraw/zinc/98/74/78/949987478.db2.gz	AJBMDQFAUDKWSW-WBNXYMAISA-N	-1	0	323.349	0.376	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC001330248871	950228706	/nfs/dbraw/zinc/22/87/06/950228706.db2.gz	ZDTVHYIGDSHTNQ-CYBMUJFWSA-N	-1	0	314.349	0.492	20	30		DCEDRM
Cc1cccc(NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001365047836	950414023	/nfs/dbraw/zinc/41/40/23/950414023.db2.gz	NTUJZUPLLGYTKF-UHFFFAOYSA-N	-1	0	314.305	0.346	20	30		DCEDRM
C#CCN1CC[C@@H]1CN(C)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001316599016	950703975	/nfs/dbraw/zinc/70/39/75/950703975.db2.gz	NYGVLTHFMYFUBZ-OAHLLOKOSA-N	-1	0	318.421	0.541	20	30		DCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@](C)(O)c1ccccc1	ZINC001365230782	950776952	/nfs/dbraw/zinc/77/69/52/950776952.db2.gz	XKROPHASMHPBTG-QFYYESIMSA-N	-1	0	314.345	0.653	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001280345168	950819771	/nfs/dbraw/zinc/81/97/71/950819771.db2.gz	KMGZNRNGPRYNLO-YUMQZZPRSA-N	-1	0	323.353	0.118	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2nc(C(F)(F)F)cs2)c1=O	ZINC001365261471	950833276	/nfs/dbraw/zinc/83/32/76/950833276.db2.gz	URXYIUNFBCVRKI-UHFFFAOYSA-N	-1	0	302.237	0.932	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001280412675	950847473	/nfs/dbraw/zinc/84/74/73/950847473.db2.gz	RUWULFYTPKYEHA-NEPJUHHUSA-N	-1	0	323.397	0.430	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1c(C)nc(CC)nc1C	ZINC001331452496	951124621	/nfs/dbraw/zinc/12/46/21/951124621.db2.gz	FZRKYADIUWIGHN-UHFFFAOYSA-N	-1	0	309.391	0.668	20	30		DCEDRM
O=C([O-])Cn1cccc1CN=Nc1ccc(-n2ccnc2)nn1	ZINC001595158346	952179408	/nfs/dbraw/zinc/17/94/08/952179408.db2.gz	UIOSSEZJMHBHMG-UHFFFAOYSA-N	-1	0	311.305	0.994	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CCCc3occc32)c(=O)[n-]c1=O	ZINC001411601141	952311082	/nfs/dbraw/zinc/31/10/82/952311082.db2.gz	SGBYZSVXEKMDCQ-LLVKDONJSA-N	-1	0	314.301	0.607	20	30		DCEDRM
C=CCOC[C@@H](NCc1ccc(S(C)(=O)=O)s1)C(=O)[O-]	ZINC001334776284	952392390	/nfs/dbraw/zinc/39/23/90/952392390.db2.gz	BTGXSYPRLUXGTI-SNVBAGLBSA-N	-1	0	319.404	0.897	20	30		DCEDRM
N#CC1(NC(=O)[C@@]23C[C@@H]2CN(C(=O)c2cc(=O)[nH][n-]2)C3)CCC1	ZINC001276023564	952628406	/nfs/dbraw/zinc/62/84/06/952628406.db2.gz	UNKXTHZYXVCLOO-RFAUZJTJSA-N	-1	0	315.333	0.140	20	30		DCEDRM
N#CC1(NC(=O)C23CC(NC(=O)c4cc(=O)[nH][n-]4)(C2)C3)CCC1	ZINC001276022901	952629061	/nfs/dbraw/zinc/62/90/61/952629061.db2.gz	NLVHRMVLDYNKMJ-UHFFFAOYSA-N	-1	0	315.333	0.330	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1(C(=O)[O-])CCOCC1	ZINC001336242477	952666028	/nfs/dbraw/zinc/66/60/28/952666028.db2.gz	FZGWWHPPHHNPTF-STQMWFEESA-N	-1	0	308.378	0.470	20	30		DCEDRM
CCC(=CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)CC	ZINC001336257779	952668159	/nfs/dbraw/zinc/66/81/59/952668159.db2.gz	MUUDKWLOJFECPO-UHFFFAOYSA-N	-1	0	302.334	0.950	20	30		DCEDRM
CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CC1(C)C	ZINC001412257962	952721594	/nfs/dbraw/zinc/72/15/94/952721594.db2.gz	MJYGGBDXEKBDDF-WDEREUQCSA-N	-1	0	304.350	0.761	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001412415529	952785463	/nfs/dbraw/zinc/78/54/63/952785463.db2.gz	CYNUFQNAORCWRB-UHFFFAOYSA-N	-1	0	315.333	1.000	20	30		DCEDRM
COc1cc(C=Nn2c(=O)c(C)n[n-]c2=S)cc(OC)c1O	ZINC001337253565	952833731	/nfs/dbraw/zinc/83/37/31/952833731.db2.gz	WGJAXROGWBYZLT-UHFFFAOYSA-N	-1	0	322.346	0.840	20	30		DCEDRM
CC[C@@H]1CO[C@H](C)CN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412584594	952913710	/nfs/dbraw/zinc/91/37/10/952913710.db2.gz	MPUSMWHDALKFOB-ZYHUDNBSSA-N	-1	0	320.349	0.237	20	30		DCEDRM
N#Cc1cc(C(=O)N2CC3(C2)CCOC[C@@H]3C(N)=O)ccc1[O-]	ZINC001276155794	952952138	/nfs/dbraw/zinc/95/21/38/952952138.db2.gz	JUYWADHKMVZPGT-GFCCVEGCSA-N	-1	0	315.329	0.228	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1c[nH]c(Br)c1	ZINC001341783963	953250234	/nfs/dbraw/zinc/25/02/34/953250234.db2.gz	CXWDSVLBWKZLJI-MRVPVSSYSA-N	-1	0	314.139	0.862	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](OCC)C1	ZINC001342149735	953273446	/nfs/dbraw/zinc/27/34/46/953273446.db2.gz	LXATYNFVHRNMGY-NSHDSACASA-N	-1	0	318.381	0.693	20	30		DCEDRM
Cc1cc(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)co1	ZINC001342595548	953297311	/nfs/dbraw/zinc/29/73/11/953297311.db2.gz	MBDJHPICAOTROI-LLVKDONJSA-N	-1	0	310.331	0.168	20	30		DCEDRM
COCCn1ccc(C(=O)C(C#N)=C([O-])c2nccn2C)n1	ZINC001342593651	953297555	/nfs/dbraw/zinc/29/75/55/953297555.db2.gz	UDULWDPKYGELHE-SNVBAGLBSA-N	-1	0	301.306	0.468	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnn2ccncc12	ZINC001342599324	953297735	/nfs/dbraw/zinc/29/77/35/953297735.db2.gz	ZGEIIASTGUYAQB-LLVKDONJSA-N	-1	0	315.333	0.595	20	30		DCEDRM
C=C(C)CN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@H]1CCCO1	ZINC001343203945	953328196	/nfs/dbraw/zinc/32/81/96/953328196.db2.gz	HFUYHUSUCJMKOM-LLVKDONJSA-N	-1	0	318.381	0.693	20	30		DCEDRM
CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001593600267	953405314	/nfs/dbraw/zinc/40/53/14/953405314.db2.gz	ZGHHVNCTYVPXSE-WCQYABFASA-N	-1	0	315.329	0.891	20	30		DCEDRM
C=CC[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)[O-]	ZINC001344554223	953495140	/nfs/dbraw/zinc/49/51/40/953495140.db2.gz	FVQDWVLWZDTZNT-LLVKDONJSA-N	-1	0	318.329	0.948	20	30		DCEDRM
CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[C@@H]1CCC[C@@H]1C#N	ZINC001593675276	953916896	/nfs/dbraw/zinc/91/68/96/953916896.db2.gz	QLYSEFXZHGCNGF-GRYCIOLGSA-N	-1	0	307.350	0.460	20	30		DCEDRM
CC(C)[C@@H](CCNC(=O)c1c[n-]n2c1nccc2=O)NCC#N	ZINC001283463383	954367575	/nfs/dbraw/zinc/36/75/75/954367575.db2.gz	QAFJMWJWKOXRMI-GFCCVEGCSA-N	-1	0	316.365	0.280	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001349214201	954656281	/nfs/dbraw/zinc/65/62/81/954656281.db2.gz	RLARPXQDXVNSLG-STQMWFEESA-N	-1	0	302.382	0.078	20	30		DCEDRM
N#CC[C@@H](NC(=O)N1CCC(c2nnn[n-]2)CC1)C(F)(F)F	ZINC001366877061	954980131	/nfs/dbraw/zinc/98/01/31/954980131.db2.gz	BXWICJKJKBNVIM-MRVPVSSYSA-N	-1	0	317.275	0.933	20	30		DCEDRM
O=C([O-])C1(CNC(=O)CCNC(=O)C2N=CC=CC2=O)CCC1	ZINC001350424215	955092323	/nfs/dbraw/zinc/09/23/23/955092323.db2.gz	SKVBDPMOPGEWGW-OUKQBFOZSA-N	-1	0	321.333	0.274	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ncc2c(F)cccn21	ZINC001351510985	955320178	/nfs/dbraw/zinc/32/01/78/955320178.db2.gz	JMDQGEIUCDOUHG-UHFFFAOYSA-N	-1	0	310.310	0.837	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)N(C)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC001589019217	955449116	/nfs/dbraw/zinc/44/91/16/955449116.db2.gz	BNPNDLSAPJPPCK-LLVKDONJSA-N	-1	0	317.345	0.696	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)cn1	ZINC001352143208	955525296	/nfs/dbraw/zinc/52/52/96/955525296.db2.gz	QDGPFPLGKWKGEB-GFCCVEGCSA-N	-1	0	308.359	0.879	20	30		DCEDRM
C=CCCC(=O)NC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C	ZINC001285304786	955561575	/nfs/dbraw/zinc/56/15/75/955561575.db2.gz	DJTBMXUZUCBSFI-SECBINFHSA-N	-1	0	323.353	0.120	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC001594588847	956028049	/nfs/dbraw/zinc/02/80/49/956028049.db2.gz	KNNHJZXSTJBREP-AWEZNQCLSA-N	-1	0	313.317	0.646	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC001593918003	956046745	/nfs/dbraw/zinc/04/67/45/956046745.db2.gz	KEJTWJQLIMQNTA-IAQYHMDHSA-N	-1	0	319.317	0.423	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F	ZINC001353700802	956151079	/nfs/dbraw/zinc/15/10/79/956151079.db2.gz	JOHWNRPNMLKOSQ-TZMCWYRMSA-N	-1	0	322.336	0.564	20	30		DCEDRM
N#Cc1c(-c2ccccc2)nnn1[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001594611863	956222038	/nfs/dbraw/zinc/22/20/38/956222038.db2.gz	JDYQODWAWKOZJZ-LLVKDONJSA-N	-1	0	311.301	0.675	20	30		DCEDRM
N#Cc1ccc(-c2nnc(CN[C@]3(C(=O)[O-])CCOC3)o2)cc1	ZINC001594617631	956252222	/nfs/dbraw/zinc/25/22/22/956252222.db2.gz	RCLXUQUMMJKQHE-OAHLLOKOSA-N	-1	0	314.301	0.942	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001354040310	956258700	/nfs/dbraw/zinc/25/87/00/956258700.db2.gz	BQUSDCOJIDDACX-AAEUAGOBSA-N	-1	0	321.381	0.717	20	30		DCEDRM
N#Cc1ccc(CCNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC001594618079	956259279	/nfs/dbraw/zinc/25/92/79/956259279.db2.gz	BTSWPWYIXPVJEW-ZDUSSCGKSA-N	-1	0	323.374	0.484	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)C1	ZINC001354048058	956264294	/nfs/dbraw/zinc/26/42/94/956264294.db2.gz	VUQJREQCXUPDPX-SNVBAGLBSA-N	-1	0	316.317	0.845	20	30		DCEDRM
N#Cc1ccc(N2C[C@@H](C(=O)OCC(=O)C(=O)[O-])CC2=O)cc1	ZINC001594621301	956283808	/nfs/dbraw/zinc/28/38/08/956283808.db2.gz	GZXYKEOELMVFPM-JTQLQIEISA-N	-1	0	316.269	0.108	20	30		DCEDRM
N#Cc1cccc([N+](=O)[O-])c1CN1CCN(C(=O)C(=O)[O-])CC1	ZINC001594628756	956336421	/nfs/dbraw/zinc/33/64/21/956336421.db2.gz	OFCLRTUIIIGQBM-UHFFFAOYSA-N	-1	0	318.289	0.195	20	30		DCEDRM
N#Cc1csc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1	ZINC001594634369	956362951	/nfs/dbraw/zinc/36/29/51/956362951.db2.gz	IYXLDLOALPNTRU-JTQLQIEISA-N	-1	0	300.361	0.303	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1	ZINC001593979281	956698686	/nfs/dbraw/zinc/69/86/86/956698686.db2.gz	VAVGFEBTOUDXFL-WDMOLILDSA-N	-1	0	311.338	0.190	20	30		DCEDRM
C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(OCC#N)cc1	ZINC001603121045	972206103	/nfs/dbraw/zinc/20/61/03/972206103.db2.gz	QBYADMJJNPLFGO-SECBINFHSA-N	-1	0	305.290	0.507	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(c2ccc(C#N)cc2CO)CCO1	ZINC001593983690	956735503	/nfs/dbraw/zinc/73/55/03/956735503.db2.gz	BDENJDFJLFRUAU-HNNXBMFYSA-N	-1	0	306.318	0.357	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)c1	ZINC000043511540	957434674	/nfs/dbraw/zinc/43/46/74/957434674.db2.gz	ZXTIAUTZDSWUGM-GFCCVEGCSA-N	-1	0	312.372	0.797	20	30		DCEDRM
COCCN(Cc1ccco1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001413883050	957514342	/nfs/dbraw/zinc/51/43/42/957514342.db2.gz	LYBFYIKSLYFAHM-UHFFFAOYSA-N	-1	0	304.306	0.191	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001594274412	957707469	/nfs/dbraw/zinc/70/74/69/957707469.db2.gz	IMQAZCLWUJDQSX-UHFFFAOYSA-N	-1	0	303.318	0.873	20	30		DCEDRM
C=CC[C@@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000150148616	957827378	/nfs/dbraw/zinc/82/73/78/957827378.db2.gz	KWGLRNVEHFBPEX-DTWKUNHWSA-N	-1	0	307.393	0.052	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588388778	957999910	/nfs/dbraw/zinc/99/99/10/957999910.db2.gz	GFJGIOLQSBXTMN-JHJVBQTASA-N	-1	0	324.377	0.100	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)NC[C@@H](CC)C(=O)[O-])CC1	ZINC001341450067	958000080	/nfs/dbraw/zinc/00/00/80/958000080.db2.gz	KAJDKUCLRFHYOH-LLVKDONJSA-N	-1	0	309.366	0.268	20	30		DCEDRM
C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC001588390791	958013027	/nfs/dbraw/zinc/01/30/27/958013027.db2.gz	IJOWQXOHKJKXAB-ZDUSSCGKSA-N	-1	0	324.377	0.198	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588392069	958030060	/nfs/dbraw/zinc/03/00/60/958030060.db2.gz	SHVKWZQZMGGWSH-SNVBAGLBSA-N	-1	0	304.302	0.214	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2c(c1)COC2	ZINC001588394339	958033259	/nfs/dbraw/zinc/03/32/59/958033259.db2.gz	BEWGWFSUUBVLAS-UHFFFAOYSA-N	-1	0	302.286	0.202	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])ncc1C#N	ZINC001594313273	958048491	/nfs/dbraw/zinc/04/84/91/958048491.db2.gz	CVFCQXJAMKDLBV-VIFPVBQESA-N	-1	0	304.306	0.379	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C1CCN(C(=O)c2ccoc2)CC1	ZINC001588399802	958076136	/nfs/dbraw/zinc/07/61/36/958076136.db2.gz	PJOMKZOQRWYFAA-UHFFFAOYSA-N	-1	0	318.329	0.678	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1ccc(C#N)cc1OC	ZINC001588407058	958096457	/nfs/dbraw/zinc/09/64/57/958096457.db2.gz	GXFYANHDDABNIO-UHFFFAOYSA-N	-1	0	302.286	0.492	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc2oc(C(N)=O)nc2c1	ZINC001588413063	958156390	/nfs/dbraw/zinc/15/63/90/958156390.db2.gz	QSBXMGKNZZRORY-UHFFFAOYSA-N	-1	0	316.273	0.478	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1	ZINC001588413172	958157645	/nfs/dbraw/zinc/15/76/45/958157645.db2.gz	UETPQECVYIVVSZ-LBPRGKRZSA-N	-1	0	315.329	0.842	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(F)cc(N2CCOCC2)c1	ZINC001588416809	958165792	/nfs/dbraw/zinc/16/57/92/958165792.db2.gz	URUDGSOREPLVBO-UHFFFAOYSA-N	-1	0	320.320	0.822	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1	ZINC001588417203	958167804	/nfs/dbraw/zinc/16/78/04/958167804.db2.gz	BDQAFIDSKNBDHG-XYPYZODXSA-N	-1	0	310.350	0.836	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(-n2nnnc2C)cc1F	ZINC001588416969	958167941	/nfs/dbraw/zinc/16/79/41/958167941.db2.gz	ZFBPLSATEZDZEE-UHFFFAOYSA-N	-1	0	317.280	0.270	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccccc1N1CCOCC1	ZINC001588418693	958183784	/nfs/dbraw/zinc/18/37/84/958183784.db2.gz	DHRQUMYZCVYCNS-UHFFFAOYSA-N	-1	0	302.330	0.683	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCc1ccc(N(C)C)cc1	ZINC001588419708	958195590	/nfs/dbraw/zinc/19/55/90/958195590.db2.gz	BQGJWNGPDUGNDC-UHFFFAOYSA-N	-1	0	303.362	0.389	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC001588420216	958201018	/nfs/dbraw/zinc/20/10/18/958201018.db2.gz	QMMCHTVFSAUGLA-SNVBAGLBSA-N	-1	0	305.290	0.942	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ncon2)n1CC(=C)C	ZINC001588426215	958227971	/nfs/dbraw/zinc/22/79/71/958227971.db2.gz	CAYCTQCWQGORHM-UHFFFAOYSA-N	-1	0	302.294	0.428	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ccnn2C)n1CC=C	ZINC001588426613	958230523	/nfs/dbraw/zinc/23/05/23/958230523.db2.gz	RFNLZGZVXHOGRF-UHFFFAOYSA-N	-1	0	300.322	0.389	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@]2(O)CCSC2)n1CC=C	ZINC001588427253	958242850	/nfs/dbraw/zinc/24/28/50/958242850.db2.gz	RLUVJGBSZVCYDB-CQSZACIVSA-N	-1	0	322.390	0.313	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001588430001	958250399	/nfs/dbraw/zinc/25/03/99/958250399.db2.gz	FSCNOOVOKNUNAZ-QWHCGFSZSA-N	-1	0	306.362	0.475	20	30		DCEDRM
C#CCN1C(=O)/C(=C\c2cc(C(=O)[O-])nn2C)SC1=S	ZINC001588432406	958282807	/nfs/dbraw/zinc/28/28/07/958282807.db2.gz	QQARBFRAUGCGRV-RMKNXTFCSA-N	-1	0	307.356	0.953	20	30		DCEDRM
C#CCn1ccc(CN(CC)[C@H]2CCN(CC(=O)[O-])C2=O)n1	ZINC001588432927	958289651	/nfs/dbraw/zinc/28/96/51/958289651.db2.gz	HUEAHYNHLONCOY-ZDUSSCGKSA-N	-1	0	304.350	0.024	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1	ZINC001588433378	958295875	/nfs/dbraw/zinc/29/58/75/958295875.db2.gz	LALGUIPDGOEQDO-GUYCJALGSA-N	-1	0	315.325	0.872	20	30		DCEDRM
C=C(C)CN(CC)C(=O)CN1CCO[C@](COC)(C(=O)[O-])C1	ZINC001588439983	958326629	/nfs/dbraw/zinc/32/66/29/958326629.db2.gz	JWTUUEVYWOGEAJ-OAHLLOKOSA-N	-1	0	314.382	0.213	20	30		DCEDRM
C=C[C@H](O)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001588451777	958413924	/nfs/dbraw/zinc/41/39/24/958413924.db2.gz	ARBZPFHUNPUFOZ-AVGNSLFASA-N	-1	0	318.329	0.076	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1CCOC	ZINC001588452014	958416807	/nfs/dbraw/zinc/41/68/07/958416807.db2.gz	HDZAOCXOHTYJHL-QWRGUYRKSA-N	-1	0	310.354	0.445	20	30		DCEDRM
C#Cc1cccc(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c1	ZINC001573327017	958482740	/nfs/dbraw/zinc/48/27/40/958482740.db2.gz	ADYNOVZWRWTCKX-CQSZACIVSA-N	-1	0	314.341	0.607	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)C(=O)OC	ZINC001588465075	958494839	/nfs/dbraw/zinc/49/48/39/958494839.db2.gz	GNWZSEFJAVPRBB-NSHDSACASA-N	-1	0	308.290	0.254	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001588465695	958507250	/nfs/dbraw/zinc/50/72/50/958507250.db2.gz	YCPXBAWXKVFRRD-VXGBXAGGSA-N	-1	0	323.393	0.075	20	30		DCEDRM
C=CCn1c([C@@H](O)COC)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001588473389	958552028	/nfs/dbraw/zinc/55/20/28/958552028.db2.gz	YWEUCYKTCYAHLR-MNOVXSKESA-N	-1	0	310.354	0.445	20	30		DCEDRM
C=CCn1c([C@H](O)COC)nnc1N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC001588473366	958552250	/nfs/dbraw/zinc/55/22/50/958552250.db2.gz	YKFUMRQLPJQXTB-GRYCIOLGSA-N	-1	0	324.381	0.691	20	30		DCEDRM
COc1cccc([C@H](C#N)NC(=O)[C@](C)(OC)C(=O)[O-])c1OC	ZINC001594121778	958603102	/nfs/dbraw/zinc/60/31/02/958603102.db2.gz	JFJQIBYHCSLDFL-BONVTDFDSA-N	-1	0	322.317	0.874	20	30		DCEDRM
C[C@@H](Cc1ccco1)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362041739	958643531	/nfs/dbraw/zinc/64/35/31/958643531.db2.gz	KAPKORXRDCYUQG-JTQLQIEISA-N	-1	0	316.317	0.551	20	30		DCEDRM
C=CCCOCC(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001298758021	958704758	/nfs/dbraw/zinc/70/47/58/958704758.db2.gz	ALCRNZFUUQJXGP-VIFPVBQESA-N	-1	0	310.354	0.251	20	30		DCEDRM
C[C@@H]1CCCC[C@H]1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362197002	958914016	/nfs/dbraw/zinc/91/40/16/958914016.db2.gz	MKJTXDRUSBTKBL-MNOVXSKESA-N	-1	0	304.350	0.763	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC([C@@]2(C)COC(=O)N2)CC1	ZINC001588535052	958926827	/nfs/dbraw/zinc/92/68/27/958926827.db2.gz	LZOOCZHDZFTGQC-LSDHHAIUSA-N	-1	0	323.349	0.728	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC001588535569	958929865	/nfs/dbraw/zinc/92/98/65/958929865.db2.gz	PVUMQRLBQBNFNS-CQSZACIVSA-N	-1	0	306.318	0.855	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](CO)CC1CCOCC1	ZINC001588538789	958944397	/nfs/dbraw/zinc/94/43/97/958944397.db2.gz	NOLYLJJYHFZDLW-IUODEOHRSA-N	-1	0	312.366	0.532	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-]	ZINC000149625899	959021368	/nfs/dbraw/zinc/02/13/68/959021368.db2.gz	VMKNYMRZTUANIM-LLVKDONJSA-N	-1	0	310.331	0.264	20	30		DCEDRM
N#CCCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC000158765832	959098541	/nfs/dbraw/zinc/09/85/41/959098541.db2.gz	HZRMNDHCTUFUND-UHFFFAOYSA-N	-1	0	313.335	0.198	20	30		DCEDRM
C[C@@H](CC(F)(F)F)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362332507	959160973	/nfs/dbraw/zinc/16/09/73/959160973.db2.gz	VERAOVSUXWTMDA-ZETCQYMHSA-N	-1	0	318.255	0.668	20	30		DCEDRM
CC1(C)CC[C@@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)O1	ZINC001362372155	959235989	/nfs/dbraw/zinc/23/59/89/959235989.db2.gz	CTQBDKXUGHZXJW-NSHDSACASA-N	-1	0	320.349	0.284	20	30		DCEDRM
Cc1nc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)ccc1C#N	ZINC001594446527	959338601	/nfs/dbraw/zinc/33/86/01/959338601.db2.gz	WVCNTADVXBBKEV-NHYWBVRUSA-N	-1	0	301.302	0.435	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccnn2CC2CC2)c(=O)[n-]c1=O	ZINC001362440265	959359122	/nfs/dbraw/zinc/35/91/22/959359122.db2.gz	RZRBWFMNLCZPFP-UHFFFAOYSA-N	-1	0	314.305	0.066	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC[C@H]1C[C@H](C)O	ZINC001362457479	959396220	/nfs/dbraw/zinc/39/62/20/959396220.db2.gz	IZAYFYSPENRQIV-CMPLNLGQSA-N	-1	0	305.334	0.579	20	30		DCEDRM
CC(C)CO[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362464118	959405518	/nfs/dbraw/zinc/40/55/18/959405518.db2.gz	NKXZMSZKIIAUQU-LBPRGKRZSA-N	-1	0	320.349	0.094	20	30		DCEDRM
COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362505702	959487427	/nfs/dbraw/zinc/48/74/27/959487427.db2.gz	KCRBPKDTQAMOAE-PWSUYJOCSA-N	-1	0	319.317	0.106	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc3c(c2)COC3)c(=O)[n-]c1=O	ZINC001362568191	959612908	/nfs/dbraw/zinc/61/29/08/959612908.db2.gz	NIDAWOFOAROLBU-UHFFFAOYSA-N	-1	0	312.285	0.489	20	30		DCEDRM
CC(C)C[C@@H](CO)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362654327	959774040	/nfs/dbraw/zinc/77/40/40/959774040.db2.gz	RENZEEYEIGSFHB-LBPRGKRZSA-N	-1	0	322.365	0.076	20	30		DCEDRM
C[C@@H](C#N)Oc1ccccc1NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001362679347	959818882	/nfs/dbraw/zinc/81/88/82/959818882.db2.gz	AOXVKXMSTOZJCQ-QMMMGPOBSA-N	-1	0	303.278	0.619	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CSC(F)(F)F)c(=O)[n-]c1=O	ZINC001362687142	959828050	/nfs/dbraw/zinc/82/80/50/959828050.db2.gz	IDHUSEMLBGUCHK-UHFFFAOYSA-N	-1	0	322.268	0.190	20	30		DCEDRM
CC(C)n1ccnc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362691529	959837832	/nfs/dbraw/zinc/83/78/32/959837832.db2.gz	YJIMSCZRABGKSM-UHFFFAOYSA-N	-1	0	316.321	0.028	20	30		DCEDRM
C=C[C@H](CO)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC001301292466	959997059	/nfs/dbraw/zinc/99/70/59/959997059.db2.gz	WREWZUYJPCGXQY-SECBINFHSA-N	-1	0	305.359	0.348	20	30		DCEDRM
CN1CCC[C@@H]1c1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n[nH]1	ZINC001362972597	960244907	/nfs/dbraw/zinc/24/49/07/960244907.db2.gz	SLAKRBJTUQZMRN-GFCCVEGCSA-N	-1	0	310.321	0.895	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC001362975973	960249242	/nfs/dbraw/zinc/24/92/42/960249242.db2.gz	XLFIDQQJAFZSPX-SNVBAGLBSA-N	-1	0	303.351	0.340	20	30		DCEDRM
CC[C@@H](CC(F)F)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363006756	960291738	/nfs/dbraw/zinc/29/17/38/960291738.db2.gz	ZDWVUILRFDBGAC-QMMMGPOBSA-N	-1	0	314.292	0.618	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)c1nnn[n-]1	ZINC001363055495	960351239	/nfs/dbraw/zinc/35/12/39/960351239.db2.gz	SAMGYZPVUODXEK-UHFFFAOYSA-N	-1	0	302.342	0.522	20	30		DCEDRM
CSC1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001363066473	960365166	/nfs/dbraw/zinc/36/51/66/960365166.db2.gz	PVRYIVHKTCFIHL-UHFFFAOYSA-N	-1	0	322.390	0.613	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2C[C@H](O)C[C@@]2(C)CO)cc1C#N	ZINC001363101191	960400734	/nfs/dbraw/zinc/40/07/34/960400734.db2.gz	MNKNYNDDYNBHON-OTYXRUKQSA-N	-1	0	323.374	0.339	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)NCc2ccc(Cl)cc2)c1=O	ZINC001363185311	960558099	/nfs/dbraw/zinc/55/80/99/960558099.db2.gz	OLOPAWKMMSMROE-UHFFFAOYSA-N	-1	0	318.720	0.378	20	30		DCEDRM
C[C@@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@@H](C)S1=O	ZINC001363229510	960649643	/nfs/dbraw/zinc/64/96/43/960649643.db2.gz	ZMVDEGIBWPUZQW-NXEZZACHSA-N	-1	0	319.390	0.648	20	30		DCEDRM
C[C@]1(CCNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1(F)F	ZINC001363286396	960790515	/nfs/dbraw/zinc/79/05/15/960790515.db2.gz	RPRDBDAEMSNUMJ-LBPRGKRZSA-N	-1	0	312.276	0.372	20	30		DCEDRM
CC(F)(F)C(C)(C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363287513	960794682	/nfs/dbraw/zinc/79/46/82/960794682.db2.gz	NPTNGIVMRHGOJB-UHFFFAOYSA-N	-1	0	314.292	0.618	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@@H](c2nn[nH]n2)C1	ZINC001363293403	960812073	/nfs/dbraw/zinc/81/20/73/960812073.db2.gz	WBABOAFRYQCANC-CHWSQXEVSA-N	-1	0	312.333	0.775	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC[C@H]1CC(=O)N(C)C1	ZINC001363428466	961131538	/nfs/dbraw/zinc/13/15/38/961131538.db2.gz	IXYCUGNZPUZUJC-JTQLQIEISA-N	-1	0	302.334	0.566	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1coc(C#N)c1	ZINC001571093081	961132386	/nfs/dbraw/zinc/13/23/86/961132386.db2.gz	ZGUUXAZWJVJEAO-KCJUWKMLSA-N	-1	0	306.274	0.630	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@]23C[C@@H]2CCCC3)c(=O)[n-]c1=O	ZINC001363435496	961144744	/nfs/dbraw/zinc/14/47/44/961144744.db2.gz	NAOSWRVWQWHCTM-XHDPSFHLSA-N	-1	0	302.334	0.517	20	30		DCEDRM
CCc1ncc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001363481665	961246132	/nfs/dbraw/zinc/24/61/32/961246132.db2.gz	ISWFNPVLWAHEDH-UHFFFAOYSA-N	-1	0	319.346	0.269	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)CCCN(C)C(=O)[O-])CC1	ZINC001571111773	961337420	/nfs/dbraw/zinc/33/74/20/961337420.db2.gz	QRAMOLIOBIFGDY-UHFFFAOYSA-N	-1	0	311.338	0.682	20	30		DCEDRM
CS(=O)(=O)[C@H]1C[C@]1(CNc1ncc(C#N)cc1F)C(=O)[O-]	ZINC001571118530	961414641	/nfs/dbraw/zinc/41/46/41/961414641.db2.gz	FTUARSOZYAJILD-JOYOIKCWSA-N	-1	0	313.310	0.392	20	30		DCEDRM
N#Cc1cccc(-c2cc(C(=O)NCC[C@H](O)C(=O)[O-])on2)c1	ZINC001571122343	961450298	/nfs/dbraw/zinc/45/02/98/961450298.db2.gz	DDFGLCGVYLWZMT-LBPRGKRZSA-N	-1	0	315.285	0.779	20	30		DCEDRM
N#Cc1c(CN(CC(N)=O)C2CCOCC2)cccc1C(=O)[O-]	ZINC001571132935	961577012	/nfs/dbraw/zinc/57/70/12/961577012.db2.gz	CQYMRLDEXCYSNI-UHFFFAOYSA-N	-1	0	317.345	0.723	20	30		DCEDRM
N#CCc1cccc(NC(=O)NCCOCCOCC(=O)[O-])c1	ZINC001574480151	961658691	/nfs/dbraw/zinc/65/86/91/961658691.db2.gz	XKUMODZVNQZOCL-UHFFFAOYSA-N	-1	0	321.333	0.992	20	30		DCEDRM
N#CCC1(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	ZINC001574481120	961669190	/nfs/dbraw/zinc/66/91/90/961669190.db2.gz	VDTGGPHLUHJLJA-UHFFFAOYSA-N	-1	0	314.363	0.076	20	30		DCEDRM
COCc1csc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001363702314	961724212	/nfs/dbraw/zinc/72/42/12/961724212.db2.gz	BZGJVGZTZMTOKR-UHFFFAOYSA-N	-1	0	321.318	0.062	20	30		DCEDRM
CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ccc(C#N)nc1	ZINC001573979475	961754090	/nfs/dbraw/zinc/75/40/90/961754090.db2.gz	GNUTTYGKKWOLFE-LBPRGKRZSA-N	-1	0	316.317	0.239	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1	ZINC001363751554	961811675	/nfs/dbraw/zinc/81/16/75/961811675.db2.gz	KZCLHVIZATZGPM-GFCCVEGCSA-N	-1	0	314.345	0.708	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC001571163178	961947882	/nfs/dbraw/zinc/94/78/82/961947882.db2.gz	FWYPAODSIFIMIM-LYFYHCNISA-N	-1	0	324.259	0.108	20	30		DCEDRM
COC(=O)[C@@H]1CCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001571163648	961955657	/nfs/dbraw/zinc/95/56/57/961955657.db2.gz	PSLHTFYHMMUFQW-JTQLQIEISA-N	-1	0	324.314	0.192	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cccnc2C2CC2)c(=O)[n-]c1=O	ZINC001363892249	962096155	/nfs/dbraw/zinc/09/61/55/962096155.db2.gz	QXWPEGYAZBIWKC-UHFFFAOYSA-N	-1	0	311.301	0.732	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H]1C1CC1	ZINC001574076968	962275671	/nfs/dbraw/zinc/27/56/71/962275671.db2.gz	ZUFZWYHFSIKCLT-RWSFTLGLSA-N	-1	0	308.334	0.649	20	30		DCEDRM
CCn1[n-]nnc1=NC(=O)N(CCC#N)Cc1ccccn1	ZINC001364127444	962521089	/nfs/dbraw/zinc/52/10/89/962521089.db2.gz	FWEMGVUMGAMQNF-UHFFFAOYSA-N	-1	0	300.326	0.458	20	30		DCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@H](O)c1ccc(F)cc1	ZINC001364167477	962600800	/nfs/dbraw/zinc/60/08/00/962600800.db2.gz	FHNPIZIUXIBVSC-PELKAZGASA-N	-1	0	318.308	0.618	20	30		DCEDRM
C[C@@H]1CCC[C@@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001364198218	962656419	/nfs/dbraw/zinc/65/64/19/962656419.db2.gz	PJXXOOJXDMJONY-ZYHUDNBSSA-N	-1	0	319.365	0.698	20	30		DCEDRM
C#CC[C@@H](NC(=O)CSCC(=O)N1CCCCC1)C(=O)[O-]	ZINC001573303125	962670338	/nfs/dbraw/zinc/67/03/38/962670338.db2.gz	VLDCSHMKGOIELB-LLVKDONJSA-N	-1	0	312.391	0.325	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573303833	962681027	/nfs/dbraw/zinc/68/10/27/962681027.db2.gz	TWWKDCDNDPMKSL-FDYHWXHSSA-N	-1	0	306.362	0.522	20	30		DCEDRM
C#CCCCC(=O)NC[C@H](C1CC1)N(C)C(=O)CNC(=O)[O-]	ZINC001573303997	962684826	/nfs/dbraw/zinc/68/48/26/962684826.db2.gz	WFCXVIHDONSSAZ-GFCCVEGCSA-N	-1	0	309.366	0.411	20	30		DCEDRM
COCc1ccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1OC	ZINC001364220540	962695965	/nfs/dbraw/zinc/69/59/65/962695965.db2.gz	NMNWQZYXBWPTFC-UHFFFAOYSA-N	-1	0	316.317	0.844	20	30		DCEDRM
C#Cc1ccc(CNC(=O)Cn2cccc(C(=O)[O-])c2=O)cc1	ZINC001573312261	962719811	/nfs/dbraw/zinc/71/98/11/962719811.db2.gz	PQXKBNKWYBABGU-UHFFFAOYSA-N	-1	0	310.309	0.844	20	30		DCEDRM
C=C(Br)CN1CCCN(C(=O)CNC(=O)[O-])CC1	ZINC001573313122	962727093	/nfs/dbraw/zinc/72/70/93/962727093.db2.gz	BQHYOTPNRMPAMP-UHFFFAOYSA-N	-1	0	320.187	0.697	20	30		DCEDRM
C=C(Br)CN1CC[C@@H]1CN(C)C(=O)CNC(=O)[O-]	ZINC001573313186	962728902	/nfs/dbraw/zinc/72/89/02/962728902.db2.gz	FMEGTLLTRDLOGV-SECBINFHSA-N	-1	0	320.187	0.695	20	30		DCEDRM
C=C(Br)CN(C)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001573313610	962732289	/nfs/dbraw/zinc/73/22/89/962732289.db2.gz	MDAWVIRYLJVGBH-IUCAKERBSA-N	-1	0	305.172	0.664	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CNC(=O)CNC(=O)[O-]	ZINC001573322432	962769889	/nfs/dbraw/zinc/76/98/89/962769889.db2.gz	YTVFHSPZBOMEGY-NSHDSACASA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=C(C)CCC(=O)N1CC[C@@H](NC(=O)CNC(=O)[O-])[C@@H](C)C1	ZINC001573324206	962781488	/nfs/dbraw/zinc/78/14/88/962781488.db2.gz	OVJBWKUWTNSXED-NWDGAFQWSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1nnn(-c2cnn(C)c2)c1C)C(=O)[O-]	ZINC001573324396	962785065	/nfs/dbraw/zinc/78/50/65/962785065.db2.gz	SAPPSWLJUHTYLL-NSHDSACASA-N	-1	0	318.337	0.458	20	30		DCEDRM
C=C(Cl)CN1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])CCO2	ZINC001573339340	962889332	/nfs/dbraw/zinc/88/93/32/962889332.db2.gz	QRCZXNJDRSJLKM-MNOVXSKESA-N	-1	0	314.769	0.373	20	30		DCEDRM
COC(=O)CC(C)(C)[NH2+]Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364356821	962951314	/nfs/dbraw/zinc/95/13/14/962951314.db2.gz	DNBCUZXCMKPIGR-UHFFFAOYSA-N	-1	0	303.322	0.738	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)[C@@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001573348439	962959306	/nfs/dbraw/zinc/95/93/06/962959306.db2.gz	XBQXZTJBRXDAQV-BONVTDFDSA-N	-1	0	322.365	0.183	20	30		DCEDRM
C=CCCC(=O)N1CC[C@@H]2CN(C(=O)CNC(=O)[O-])CC[C@@H]21	ZINC001573353162	962997673	/nfs/dbraw/zinc/99/76/73/962997673.db2.gz	QFKFDGABMHEMBD-NEPJUHHUSA-N	-1	0	309.366	0.670	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC001588435305	964019699	/nfs/dbraw/zinc/01/96/99/964019699.db2.gz	KVDHPFHBYPVDET-CYBMUJFWSA-N	-1	0	320.345	0.837	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588435332	964020351	/nfs/dbraw/zinc/02/03/51/964020351.db2.gz	LTCAGKZUUCNZJN-SECBINFHSA-N	-1	0	301.320	0.339	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC001588435574	964023870	/nfs/dbraw/zinc/02/38/70/964023870.db2.gz	VCXIVKCDEOKCTN-GFCCVEGCSA-N	-1	0	320.345	0.967	20	30		DCEDRM
C#CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@H](OC)C1	ZINC001588447343	964085711	/nfs/dbraw/zinc/08/57/11/964085711.db2.gz	WLWROHDEAHCYEZ-AVGNSLFASA-N	-1	0	317.407	0.978	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NCC)cc1)C(=O)[O-]	ZINC000317027102	964088502	/nfs/dbraw/zinc/08/85/02/964088502.db2.gz	SGRNBAVEDWRFRR-GFCCVEGCSA-N	-1	0	324.358	0.191	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001588448269	964095519	/nfs/dbraw/zinc/09/55/19/964095519.db2.gz	ZRADKHLHSMHADD-UHFFFAOYSA-N	-1	0	315.351	0.077	20	30		DCEDRM
C[C@@H](NC(=O)[C@@H](C)C#N)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001369567267	965178674	/nfs/dbraw/zinc/17/86/74/965178674.db2.gz	LFQAMKOKZZQDNT-VHSXEESVSA-N	-1	0	306.370	0.387	20	30		DCEDRM
C[C@@H](CN(C)CCS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000163336131	967660994	/nfs/dbraw/zinc/66/09/94/967660994.db2.gz	HLNFPVGISSKIRC-NSHDSACASA-N	-1	0	310.375	0.984	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001574012815	969841674	/nfs/dbraw/zinc/84/16/74/969841674.db2.gz	WJDHPXXLZUXIPB-UHFFFAOYSA-N	-1	0	301.262	0.495	20	30		DCEDRM
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)[O-]	ZINC001607968801	970398515	/nfs/dbraw/zinc/39/85/15/970398515.db2.gz	QIGBJFOKPSOJAV-UHFFFAOYSA-N	-1	0	302.290	0.778	20	30		DCEDRM
C[C@@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])n1cnc(C#N)n1	ZINC001609696222	970454840	/nfs/dbraw/zinc/45/48/40/970454840.db2.gz	CWTZCODPDDAQBQ-QWRGUYRKSA-N	-1	0	305.338	0.957	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000320264425	970639758	/nfs/dbraw/zinc/63/97/58/970639758.db2.gz	KGEWYWBAIRKDPS-QMMMGPOBSA-N	-1	0	303.311	0.739	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2cc(C#N)c[nH]2)c1[O-]	ZINC001448777593	1014034661	/nfs/dbraw/zinc/03/46/61/1014034661.db2.gz	AUCZINAJFZRYIF-UHFFFAOYSA-N	-1	0	316.321	0.126	20	30		DCEDRM
C=CCC[C@H](CO)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000321172348	970749436	/nfs/dbraw/zinc/74/94/36/970749436.db2.gz	YAVSJOAKJBUGSQ-GFCCVEGCSA-N	-1	0	313.375	0.919	20	30		DCEDRM
CC1CC(C#N)(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1	ZINC001603354804	972792279	/nfs/dbraw/zinc/79/22/79/972792279.db2.gz	LFTCNUCZUJVKJP-LOIXOFCESA-N	-1	0	307.350	0.508	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1cccc(CC#N)c1	ZINC001604305588	972958920	/nfs/dbraw/zinc/95/89/20/972958920.db2.gz	BSNWKCMHWTWLFP-UHFFFAOYSA-N	-1	0	304.302	0.843	20	30		DCEDRM
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1C(=O)[O-]	ZINC001603431974	973182620	/nfs/dbraw/zinc/18/26/20/973182620.db2.gz	AGZKAYPOCABTEE-KOLCDFICSA-N	-1	0	309.347	0.685	20	30		DCEDRM
Cn1ccnc1N1CCC(NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC001605511848	973690786	/nfs/dbraw/zinc/69/07/86/973690786.db2.gz	HKJKEBGYMHIFEW-HNNXBMFYSA-N	-1	0	319.365	0.510	20	30		DCEDRM
N#Cc1cc(C(=O)NCCOCCOCC(=O)[O-])ccc1F	ZINC001605591958	973890887	/nfs/dbraw/zinc/89/08/87/973890887.db2.gz	KLKNMRJOGDDXSZ-UHFFFAOYSA-N	-1	0	310.281	0.545	20	30		DCEDRM
N#CCOc1cccc(NC(=O)c2cn(CC(=O)[O-])nn2)c1	ZINC001605601577	973904828	/nfs/dbraw/zinc/90/48/28/973904828.db2.gz	UATOKLAOPQGYNI-UHFFFAOYSA-N	-1	0	301.262	0.517	20	30		DCEDRM
N#Cc1cnc(N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c(F)c1	ZINC001605622851	973944948	/nfs/dbraw/zinc/94/49/48/973944948.db2.gz	FJHHIKJQKQMFIX-LLVKDONJSA-N	-1	0	306.297	0.970	20	30		DCEDRM
CCN(C(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H](C)C(=O)[O-]	ZINC001603701511	974099467	/nfs/dbraw/zinc/09/94/67/974099467.db2.gz	MMOCOOVLHSZWMQ-MRVPVSSYSA-N	-1	0	307.281	0.957	20	30		DCEDRM
CN(C(=O)c1cccn(CC(=O)[O-])c1=O)c1ccc(C#N)nc1	ZINC001604035228	974560587	/nfs/dbraw/zinc/56/05/87/974560587.db2.gz	LVQPKKUHMFUANL-UHFFFAOYSA-N	-1	0	312.285	0.476	20	30		DCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC001591720475	975651698	/nfs/dbraw/zinc/65/16/98/975651698.db2.gz	NNQAYSQRZITKNW-QWRGUYRKSA-N	-1	0	321.399	0.275	20	30		DCEDRM
CC(C)c1nnnn1CC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001592092139	976841518	/nfs/dbraw/zinc/84/15/18/976841518.db2.gz	WZUGYJPTKXSMFC-UHFFFAOYSA-N	-1	0	306.326	0.013	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NC1(C(=O)[O-])CCSCC1	ZINC001592221881	977403203	/nfs/dbraw/zinc/40/32/03/977403203.db2.gz	ODECIFAMHPXMNG-SECBINFHSA-N	-1	0	321.424	0.405	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC001592222343	977407092	/nfs/dbraw/zinc/40/70/92/977407092.db2.gz	VIOAHPUSJYYOBG-JQWIXIFHSA-N	-1	0	319.383	0.079	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001592222562	977408195	/nfs/dbraw/zinc/40/81/95/977408195.db2.gz	YKINWQBUTXBKEZ-ZJUUUORDSA-N	-1	0	321.424	0.215	20	30		DCEDRM
C[C@@H](CCCO)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001592490683	978282140	/nfs/dbraw/zinc/28/21/40/978282140.db2.gz	GUKWIZMPLOVIOX-VIFPVBQESA-N	-1	0	312.347	0.696	20	30		DCEDRM
C[C@H](CN(C)C(=O)CSCC#N)Nc1ncc(C(=O)[O-])cn1	ZINC001592574747	978473854	/nfs/dbraw/zinc/47/38/54/978473854.db2.gz	PUTKFSYQVIZIGB-SECBINFHSA-N	-1	0	323.378	0.690	20	30		DCEDRM
C[C@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)C#CC1CC1	ZINC001592594251	978529714	/nfs/dbraw/zinc/52/97/14/978529714.db2.gz	YWNBQGWBYHNONX-SNVBAGLBSA-N	-1	0	302.334	0.529	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(CC(=O)OC)c1	ZINC001523875565	1014789145	/nfs/dbraw/zinc/78/91/45/1014789145.db2.gz	RATBPQPVSHNNAF-CYBMUJFWSA-N	-1	0	318.329	0.487	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(=O)N2CCOCC2)cc1	ZINC001523925713	1014803284	/nfs/dbraw/zinc/80/32/84/1014803284.db2.gz	WGMVQDSPZDGFMB-CYBMUJFWSA-N	-1	0	315.329	0.227	20	30		DCEDRM
C#CC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)[O-])C1	ZINC001588367530	983300377	/nfs/dbraw/zinc/30/03/77/983300377.db2.gz	XSGANYLVOMUWCW-OHUAYANFSA-N	-1	0	322.361	0.836	20	30		DCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-]	ZINC001588368766	983307786	/nfs/dbraw/zinc/30/77/86/983307786.db2.gz	SAMFVJITZSWKPE-LURJTMIESA-N	-1	0	317.344	0.533	20	30		DCEDRM
C#C[C@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)[C@@H]1CCCO1	ZINC001588373748	983339861	/nfs/dbraw/zinc/33/98/61/983339861.db2.gz	JKGBDOVNMPMEHU-QUGYJXMDSA-N	-1	0	306.362	0.966	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1	ZINC001588375541	983345231	/nfs/dbraw/zinc/34/52/31/983345231.db2.gz	AZIZGHUOKJHPGZ-UHFFFAOYSA-N	-1	0	308.240	0.646	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)[C@@H]1CCCO1	ZINC001588376081	983349520	/nfs/dbraw/zinc/34/95/20/983349520.db2.gz	PPAODTAMIWKMMK-UWVGGRQHSA-N	-1	0	313.331	0.745	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2cc(C)sc2C(=O)[O-])C1	ZINC001588376241	983350738	/nfs/dbraw/zinc/35/07/38/983350738.db2.gz	RHRLLYSTHRFMGL-UHFFFAOYSA-N	-1	0	310.306	0.877	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)C1CCC(C(=O)[O-])CC1)[C@@H]1CCCO1	ZINC001588376451	983352008	/nfs/dbraw/zinc/35/20/08/983352008.db2.gz	DPWAFOVSOCLGLS-TUUUFIMRSA-N	-1	0	315.391	0.730	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)C1	ZINC001588381840	983367754	/nfs/dbraw/zinc/36/77/54/983367754.db2.gz	BNOMMDUZEYXYRK-YVMONPNESA-N	-1	0	307.327	0.153	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1	ZINC001588382366	983370783	/nfs/dbraw/zinc/37/07/83/983370783.db2.gz	NPMCKSZXNZVGNA-YNEHKIRRSA-N	-1	0	306.362	0.427	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC	ZINC001588393825	983400337	/nfs/dbraw/zinc/40/03/37/983400337.db2.gz	KMJWASDZSBSHAL-SNVBAGLBSA-N	-1	0	313.331	0.056	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@]1(c2ccccc2)CNC(=O)C1)C(=O)[O-]	ZINC001588398618	983413654	/nfs/dbraw/zinc/41/36/54/983413654.db2.gz	LOGPUHLDDHPTFG-BLLLJJGKSA-N	-1	0	300.314	0.037	20	30		DCEDRM
C#CC[C@@H](NC(=O)CNC(=O)c1cccc(OC)c1)C(=O)[O-]	ZINC001588405365	983421349	/nfs/dbraw/zinc/42/13/49/983421349.db2.gz	MMPGAZNFGDHLOL-GFCCVEGCSA-N	-1	0	304.302	0.018	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)[C@H](CCC)C(=O)OCC)C(=O)[O-]	ZINC001588423982	983454490	/nfs/dbraw/zinc/45/44/90/983454490.db2.gz	QVYIJEMCKUJEQI-VHSXEESVSA-N	-1	0	305.352	0.114	20	30		DCEDRM
C#CCC1(NC(=O)Nc2ccc(C(=O)[O-])nn2)CCOCC1	ZINC001588427977	983459402	/nfs/dbraw/zinc/45/94/02/983459402.db2.gz	UURFFAUNVDDPEC-UHFFFAOYSA-N	-1	0	304.306	0.869	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1	ZINC001588431465	983465111	/nfs/dbraw/zinc/46/51/11/983465111.db2.gz	JEVXLTHNCALXCP-GFCCVEGCSA-N	-1	0	309.366	0.412	20	30		DCEDRM
C#CCC1(O)CCN(C(=O)Nc2cc(C(=O)[O-])n(C)n2)CC1	ZINC001588431870	983465901	/nfs/dbraw/zinc/46/59/01/983465901.db2.gz	PHQXQHHKJRKVBV-UHFFFAOYSA-N	-1	0	306.322	0.500	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C)cc2C(=O)[O-])C1	ZINC001588431953	983466887	/nfs/dbraw/zinc/46/68/87/983466887.db2.gz	SMNBNLWHFJGOBS-SNVBAGLBSA-N	-1	0	318.333	0.319	20	30		DCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC001450155086	1014948846	/nfs/dbraw/zinc/94/88/46/1014948846.db2.gz	HUPLKQYBEVMOJH-SNVBAGLBSA-N	-1	0	320.280	0.437	20	30		DCEDRM
C#CCCN1CCN(S(=O)(=O)CCCCCC(=O)[O-])CC1	ZINC001588453649	983476426	/nfs/dbraw/zinc/47/64/26/983476426.db2.gz	KDEXUQLJZCMQSD-UHFFFAOYSA-N	-1	0	316.423	0.602	20	30		DCEDRM
C#CCCOc1ccc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)cc1	ZINC001588455910	983480823	/nfs/dbraw/zinc/48/08/23/983480823.db2.gz	WPIXSLKVDLXDPO-CYBMUJFWSA-N	-1	0	319.313	0.835	20	30		DCEDRM
C#CCCOc1ccc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001588456146	983481566	/nfs/dbraw/zinc/48/15/66/983481566.db2.gz	ZZYAZUFIVFEAJZ-UONOGXRCSA-N	-1	0	317.341	0.996	20	30		DCEDRM
C#CCN(C(=O)CCCn1ccc(C(=O)[O-])n1)C1CSC1	ZINC001588459670	983485392	/nfs/dbraw/zinc/48/53/92/983485392.db2.gz	GXDOCYKUFNXCEA-UHFFFAOYSA-N	-1	0	307.375	0.939	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1	ZINC001588475758	983509690	/nfs/dbraw/zinc/50/96/90/983509690.db2.gz	HKLLOGYDOJLGGC-ZENOOKHLSA-N	-1	0	307.394	0.836	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC001588479567	983520755	/nfs/dbraw/zinc/52/07/55/983520755.db2.gz	UGJLFDPFMDZQIA-UHFFFAOYSA-N	-1	0	304.302	0.579	20	30		DCEDRM
C#CCOc1ccc(CNS(=O)(=O)CCCC(=O)[O-])cc1	ZINC001588497441	983539257	/nfs/dbraw/zinc/53/92/57/983539257.db2.gz	GVTNNTNOHIFCPA-UHFFFAOYSA-N	-1	0	311.359	0.983	20	30		DCEDRM
C#CCSCC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC001588505171	983549862	/nfs/dbraw/zinc/54/98/62/983549862.db2.gz	XJOOOUMFZIDJRC-UHFFFAOYSA-N	-1	0	320.374	0.190	20	30		DCEDRM
C#CCn1cc(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1	ZINC001588509363	983552612	/nfs/dbraw/zinc/55/26/12/983552612.db2.gz	AJIUZIRSTUZUEA-UHFFFAOYSA-N	-1	0	319.342	0.693	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1Cn1nnnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588536969	983596638	/nfs/dbraw/zinc/59/66/38/983596638.db2.gz	WDKNQLUABSBIAE-LPWJVIDDSA-N	-1	0	321.381	0.811	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1Cn1nnnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588536973	983596666	/nfs/dbraw/zinc/59/66/66/983596666.db2.gz	WDKNQLUABSBIAE-YVECIDJPSA-N	-1	0	321.381	0.811	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)C1=CN(C)S(=O)(=O)N=C1C)C(=O)[O-]	ZINC001588537286	983598931	/nfs/dbraw/zinc/59/89/31/983598931.db2.gz	LHPWVYHDEZYAKR-JTQLQIEISA-N	-1	0	315.351	0.057	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1cn2c(n1)C[C@@H](OC)CC2)C(=O)[O-]	ZINC001588547401	983619863	/nfs/dbraw/zinc/61/98/63/983619863.db2.gz	AQXFUHYTVHYOLR-WDEREUQCSA-N	-1	0	307.350	0.994	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(C(=O)[O-])no1	ZINC001596231363	983626413	/nfs/dbraw/zinc/62/64/13/983626413.db2.gz	NEBLDHHAUBAFNG-MRVPVSSYSA-N	-1	0	309.278	0.538	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC001588630597	983744783	/nfs/dbraw/zinc/74/47/83/983744783.db2.gz	SLUKHTJOLMESTP-GHMZBOCLSA-N	-1	0	318.395	0.384	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)NC[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001588633329	983748613	/nfs/dbraw/zinc/74/86/13/983748613.db2.gz	LJZNOUXDCORAHC-ZDUSSCGKSA-N	-1	0	320.345	0.951	20	30		DCEDRM
C=C[C@@H](Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)C(=O)[O-]	ZINC001588702333	983919805	/nfs/dbraw/zinc/91/98/05/983919805.db2.gz	QIGIINNPWWSXQE-NTZNESFSSA-N	-1	0	322.365	0.570	20	30		DCEDRM
C=C[C@@H](O)C(=O)O[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001588704249	983923493	/nfs/dbraw/zinc/92/34/93/983923493.db2.gz	DCAWNJNBABWJPI-BXKDBHETSA-N	-1	0	307.302	0.480	20	30		DCEDRM
C=C[C@H](OC(=O)CNc1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC001588710631	983933362	/nfs/dbraw/zinc/93/33/62/983933362.db2.gz	GHGSVFHMDNNIMX-NSHDSACASA-N	-1	0	313.331	0.684	20	30		DCEDRM
C=C[C@@H](OC(=O)c1cccc(S(=O)(=O)NCC)c1)C(=O)[O-]	ZINC001588713486	983949294	/nfs/dbraw/zinc/94/92/94/983949294.db2.gz	WQWRCNLNPRUYKD-LLVKDONJSA-N	-1	0	313.331	0.781	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588745207	984049804	/nfs/dbraw/zinc/04/98/04/984049804.db2.gz	VSRAJUBABUKTAF-XWAURUHHSA-N	-1	0	312.366	0.635	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001588777785	984157998	/nfs/dbraw/zinc/15/79/98/984157998.db2.gz	KFSIPMQFQSEYAX-JTQLQIEISA-N	-1	0	324.308	0.906	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)CNC(=O)c1cccnc1)C(=O)[O-]	ZINC001588788629	984191660	/nfs/dbraw/zinc/19/16/60/984191660.db2.gz	IRRKFPJLVSYXRF-GFCCVEGCSA-N	-1	0	305.334	0.737	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@]12CCC(=O)N1CCS2)C(=O)[O-]	ZINC001588789823	984201779	/nfs/dbraw/zinc/20/17/79/984201779.db2.gz	KMEPJNDDYDELHG-IINYFYTJSA-N	-1	0	312.391	0.978	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OC	ZINC001588798512	984236454	/nfs/dbraw/zinc/23/64/54/984236454.db2.gz	IETDOKHXTMSCBA-OUAUKWLOSA-N	-1	0	319.379	0.667	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OC	ZINC001588798511	984236569	/nfs/dbraw/zinc/23/65/69/984236569.db2.gz	IETDOKHXTMSCBA-AXFHLTTASA-N	-1	0	319.379	0.667	20	30		DCEDRM
C=CCCCCn1nnnc1N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588802107	984247605	/nfs/dbraw/zinc/24/76/05/984247605.db2.gz	CBBGWBZHYAKYHC-AWEZNQCLSA-N	-1	0	320.353	0.839	20	30		DCEDRM
C=CCN(CCOC)S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001588828619	984307629	/nfs/dbraw/zinc/30/76/29/984307629.db2.gz	DURRXZUAACYJNU-UHFFFAOYSA-N	-1	0	314.363	0.911	20	30		DCEDRM
C=CCNc1ncc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])s1	ZINC001588849222	984369647	/nfs/dbraw/zinc/36/96/47/984369647.db2.gz	DSUWITWBHLSOGN-PSASIEDQSA-N	-1	0	311.363	0.961	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588849948	984376719	/nfs/dbraw/zinc/37/67/19/984376719.db2.gz	QFKFRZPOAGFXRR-GHMZBOCLSA-N	-1	0	320.349	0.058	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1=O)C(=O)[O-]	ZINC001588850763	984379921	/nfs/dbraw/zinc/37/99/21/984379921.db2.gz	CZTNMQXNNFENKM-YPMHNXCESA-N	-1	0	312.366	0.405	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CN1C(=O)Cc2ccccc21)C(=O)[O-]	ZINC001588853669	984384740	/nfs/dbraw/zinc/38/47/40/984384740.db2.gz	FDFJOMWKSUEMLY-LBPRGKRZSA-N	-1	0	318.329	0.348	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C)C(=O)[O-]	ZINC001588861398	984415409	/nfs/dbraw/zinc/41/54/09/984415409.db2.gz	HWESWMNIMZPCTC-NSHDSACASA-N	-1	0	319.317	0.665	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)[O-]	ZINC001588862399	984418390	/nfs/dbraw/zinc/41/83/90/984418390.db2.gz	XALRYRAZLFKHEB-QMMMGPOBSA-N	-1	0	317.319	0.069	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001524656549	1015032402	/nfs/dbraw/zinc/03/24/02/1015032402.db2.gz	OQVNPKQPDUWXQW-NSHDSACASA-N	-1	0	302.334	0.168	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)C[C@H]1CCC1(F)F)C(=O)[O-]	ZINC001588865852	984420788	/nfs/dbraw/zinc/42/07/88/984420788.db2.gz	DKEWYZYKBMSPAH-BDAKNGLRSA-N	-1	0	313.322	0.607	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cccnc1F)C(=O)[O-]	ZINC001588866589	984426104	/nfs/dbraw/zinc/42/61/04/984426104.db2.gz	MESYLYRPGKNYTD-MRVPVSSYSA-N	-1	0	304.299	0.155	20	30		DCEDRM
C=CCOC[C@H]1NC(=O)N([C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1=O	ZINC001588867065	984429916	/nfs/dbraw/zinc/42/99/16/984429916.db2.gz	VUTNNEUXRNSLMV-OOCWMUITSA-N	-1	0	308.334	0.609	20	30		DCEDRM
C=CCOCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588868988	984436913	/nfs/dbraw/zinc/43/69/13/984436913.db2.gz	JOOJORCYGVYMPQ-CRWXNKLISA-N	-1	0	308.378	0.585	20	30		DCEDRM
C=CCOCCCn1nnnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001588869194	984438860	/nfs/dbraw/zinc/43/88/60/984438860.db2.gz	YXPROWGOSOJOMD-WFASDCNBSA-N	-1	0	321.381	0.957	20	30		DCEDRM
C=CCn1c(-c2c[nH]c(C)n2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588887039	984474747	/nfs/dbraw/zinc/47/47/47/984474747.db2.gz	ZKVZKXDXNYXZQB-NSHDSACASA-N	-1	0	318.337	0.452	20	30		DCEDRM
C=CCn1c(-c2ncnn2C)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588891114	984486479	/nfs/dbraw/zinc/48/64/79/984486479.db2.gz	DTPCJHQQVLWXJB-UHFFFAOYSA-N	-1	0	317.353	0.561	20	30		DCEDRM
C=CCn1c([C@@H](O)C(C)C)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588896916	984505488	/nfs/dbraw/zinc/50/54/88/984505488.db2.gz	VPEWIZZROLLXSO-NHYWBVRUSA-N	-1	0	324.381	0.833	20	30		DCEDRM
C=CCn1c(Cc2cc[nH]n2)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588904010	984525928	/nfs/dbraw/zinc/52/59/28/984525928.db2.gz	DEKZDLBKELWTBL-CQSZACIVSA-N	-1	0	320.328	0.781	20	30		DCEDRM
C=CCn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1[C@@](C)(O)CC	ZINC001588904957	984534101	/nfs/dbraw/zinc/53/41/01/984534101.db2.gz	JWDRHYXZZCIXFG-YGRLFVJLSA-N	-1	0	310.354	0.371	20	30		DCEDRM
C=CCn1cc2ccc(NC(=O)N3CC(O)(C(=O)[O-])C3)cc2n1	ZINC001588909164	984542960	/nfs/dbraw/zinc/54/29/60/984542960.db2.gz	MOYNDHCTJIVPOS-UHFFFAOYSA-N	-1	0	316.317	0.886	20	30		DCEDRM
C=CCn1cc(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)nn1	ZINC001588909420	984544059	/nfs/dbraw/zinc/54/40/59/984544059.db2.gz	SYCIUGTYXPMLAH-UHFFFAOYSA-N	-1	0	312.307	0.234	20	30		DCEDRM
C=CCn1cc(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)nn1	ZINC001588909396	984544279	/nfs/dbraw/zinc/54/42/79/984544279.db2.gz	SDWXTGVPGDMSFF-NSHDSACASA-N	-1	0	322.321	0.087	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001588916835	984563995	/nfs/dbraw/zinc/56/39/95/984563995.db2.gz	HBWOGPOPVORWAU-USZNOCQGSA-N	-1	0	311.334	0.442	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001588916833	984564162	/nfs/dbraw/zinc/56/41/62/984564162.db2.gz	HBWOGPOPVORWAU-KKOKHZNYSA-N	-1	0	311.334	0.442	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588917823	984567559	/nfs/dbraw/zinc/56/75/59/984567559.db2.gz	BTULTDNTMNEVEW-TUAOUCFPSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=C[C@H](CO)NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1	ZINC001588919396	984571676	/nfs/dbraw/zinc/57/16/76/984571676.db2.gz	KJWNBSLXSHVHBU-SNVBAGLBSA-N	-1	0	301.302	0.847	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588920341	984577389	/nfs/dbraw/zinc/57/73/89/984577389.db2.gz	XIIRGNOOXHRXSX-NEPJUHHUSA-N	-1	0	322.342	0.878	20	30		DCEDRM
CC#CCCCC(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588924851	984583736	/nfs/dbraw/zinc/58/37/36/984583736.db2.gz	GDEFRLQETYIMPY-STQMWFEESA-N	-1	0	306.362	0.570	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC001588925688	984588186	/nfs/dbraw/zinc/58/81/86/984588186.db2.gz	VBRIETWKTICHFI-GFCCVEGCSA-N	-1	0	311.359	0.366	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001588926411	984593768	/nfs/dbraw/zinc/59/37/68/984593768.db2.gz	WJEAZYFWOXIIFU-CYBMUJFWSA-N	-1	0	318.329	0.143	20	30		DCEDRM
C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1cc(C#N)c[nH]1	ZINC001599891909	984704115	/nfs/dbraw/zinc/70/41/15/984704115.db2.gz	UMVRXEKMQAHUCH-MRVPVSSYSA-N	-1	0	314.305	0.027	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC001599896279	984756511	/nfs/dbraw/zinc/75/65/11/984756511.db2.gz	RYFJNSXGQBVSGB-UWVGGRQHSA-N	-1	0	318.333	0.064	20	30		DCEDRM
CCO[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)[C@@H]1CCOC1	ZINC001596760358	985138671	/nfs/dbraw/zinc/13/86/71/985138671.db2.gz	BFEVRDQDHYQLHU-VXGBXAGGSA-N	-1	0	310.350	0.645	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])ccn2)C[C@@H](C)N1CC#N	ZINC001594488648	985585479	/nfs/dbraw/zinc/58/54/79/985585479.db2.gz	HMNSPNPUEPPVKW-GHMZBOCLSA-N	-1	0	302.334	0.838	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)c1cc(C(=O)[O-])co1)C1CC1	ZINC001589324099	986153385	/nfs/dbraw/zinc/15/33/85/986153385.db2.gz	VAFNSIVOANPEEE-AWEZNQCLSA-N	-1	0	306.274	0.943	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001589328998	986159992	/nfs/dbraw/zinc/15/99/92/986159992.db2.gz	HGATWGLSDYSBPO-ONGXEEELSA-N	-1	0	303.322	0.737	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCCCN(c1ncc(C(=O)[O-])cn1)C1CC1	ZINC001589329452	986163635	/nfs/dbraw/zinc/16/36/35/986163635.db2.gz	NDCXCZXCQNSVMI-JTQLQIEISA-N	-1	0	317.349	0.810	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H]1CCCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001589329520	986164767	/nfs/dbraw/zinc/16/47/67/986164767.db2.gz	OXDZFSVWUCADFC-ZYHUDNBSSA-N	-1	0	317.349	0.810	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@@H]1CNc1ncc(C(=O)[O-])cn1	ZINC001589329968	986169071	/nfs/dbraw/zinc/16/90/71/986169071.db2.gz	XANHWVNVTSOPKD-MWLCHTKSSA-N	-1	0	303.322	0.737	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC[C@H]1O	ZINC001594553538	986266331	/nfs/dbraw/zinc/26/63/31/986266331.db2.gz	BULCLWRSAVBAGZ-BXKDBHETSA-N	-1	0	324.358	0.648	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](CNC(=O)[C@@H](C)C#N)C2CC2)c1[O-]	ZINC001385776767	986588442	/nfs/dbraw/zinc/58/84/42/986588442.db2.gz	FNTRAPFZLNFFAN-OIBJUYFYSA-N	-1	0	305.338	0.208	20	30		DCEDRM
C[C@@H]1OC(=O)N[C@@H]1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001594630690	986722112	/nfs/dbraw/zinc/72/21/12/986722112.db2.gz	BGCSCZQMMWDZHO-BKDNQFJXSA-N	-1	0	304.258	0.724	20	30		DCEDRM
CCS(=O)(=O)c1cccc(C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001597239535	987208796	/nfs/dbraw/zinc/20/87/96/987208796.db2.gz	DPQWJESOHMVJRN-UHFFFAOYSA-N	-1	0	324.358	0.921	20	30		DCEDRM
C[C@@H](C(=O)OCC(=O)c1cc(C(=O)[O-])co1)n1cnc(C#N)n1	ZINC001589543625	987260907	/nfs/dbraw/zinc/26/09/07/987260907.db2.gz	QZCJBRWNBYCQFF-ZETCQYMHSA-N	-1	0	318.245	0.428	20	30		DCEDRM
C[C@@H](C(=O)OCc1ccc(C(=O)[O-])cn1)n1cnc(C#N)n1	ZINC001589548943	987281864	/nfs/dbraw/zinc/28/18/64/987281864.db2.gz	TZXRHDUOBMIFKD-QMMMGPOBSA-N	-1	0	301.262	0.547	20	30		DCEDRM
CC(C)(C(=O)[O-])C(=O)COC(=O)C#Cc1ccc2c(c1)OCO2	ZINC001589582857	987367640	/nfs/dbraw/zinc/36/76/40/987367640.db2.gz	VTNSUOPOCNZFQB-UHFFFAOYSA-N	-1	0	318.281	0.990	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001589685379	987726338	/nfs/dbraw/zinc/72/63/38/987726338.db2.gz	ZAKSKMXPGNFBDU-WRWGMCAJSA-N	-1	0	306.362	0.520	20	30		DCEDRM
CSc1ccc(CNC(=O)N2CC(O)(C(=O)[O-])C2)cc1C#N	ZINC001599812778	988367536	/nfs/dbraw/zinc/36/75/36/988367536.db2.gz	FPZKAHBKOBTELE-UHFFFAOYSA-N	-1	0	321.358	0.621	20	30		DCEDRM
CCn1c(N2CCO[C@H](CC(=O)[O-])C2)nnc1C(C)(C)C#N	ZINC001597858667	989620681	/nfs/dbraw/zinc/62/06/81/989620681.db2.gz	GZMSTPWBOVVAFL-SNVBAGLBSA-N	-1	0	307.354	0.779	20	30		DCEDRM
CN(C(=O)C#CC1CC1)C1CC(Nc2ncc(C(=O)[O-])cn2)C1	ZINC001597983162	990057250	/nfs/dbraw/zinc/05/72/50/990057250.db2.gz	WVFACYJFBOXHAG-UHFFFAOYSA-N	-1	0	314.345	0.990	20	30		DCEDRM
CN(C(=O)C[NH2+][C@]1(CC(=O)[O-])CCOC1)C1(C#N)CCCCC1	ZINC001598025118	990233373	/nfs/dbraw/zinc/23/33/73/990233373.db2.gz	MLICJLRJECTOFX-HNNXBMFYSA-N	-1	0	323.393	0.895	20	30		DCEDRM
CC(C)C#CC(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1	ZINC001590927923	990938012	/nfs/dbraw/zinc/93/80/12/990938012.db2.gz	OAXQQQUKNABQBB-UHFFFAOYSA-N	-1	0	302.334	0.895	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@@H](Nc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001590928038	990938514	/nfs/dbraw/zinc/93/85/14/990938514.db2.gz	PEVWFYHDFPSXFN-GFCCVEGCSA-N	-1	0	316.361	0.563	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC001590961662	991060904	/nfs/dbraw/zinc/06/09/04/991060904.db2.gz	VKXNJCJHEFOVCN-BXKDBHETSA-N	-1	0	303.309	0.835	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1	ZINC001598287325	991187239	/nfs/dbraw/zinc/18/72/39/991187239.db2.gz	FZQFODVVLAWFIK-OCCSQVGLSA-N	-1	0	317.345	0.532	20	30		DCEDRM
CN(C[C@H]1CCS(=O)(=O)C1)c1ccc(C(=O)[O-])nc1C#N	ZINC001598462144	991962404	/nfs/dbraw/zinc/96/24/04/991962404.db2.gz	NZGXKBUVXLJLDS-SECBINFHSA-N	-1	0	309.347	0.522	20	30		DCEDRM
CS(=O)(=O)NC1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001599758423	992086583	/nfs/dbraw/zinc/08/65/83/992086583.db2.gz	NPPAHIUCGMIOHJ-UHFFFAOYSA-N	-1	0	324.362	0.169	20	30		DCEDRM
CN(CCCNC(=O)CSCC#N)c1ccnc(C(=O)[O-])n1	ZINC001598478928	992118388	/nfs/dbraw/zinc/11/83/88/992118388.db2.gz	CXXIWGKRZAAWQU-UHFFFAOYSA-N	-1	0	323.378	0.374	20	30		DCEDRM
CN(CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1c[nH]c(C#N)c1	ZINC001598486578	992214861	/nfs/dbraw/zinc/21/48/61/992214861.db2.gz	RHEGUZLSKPPQGH-RYUDHWBXSA-N	-1	0	318.333	0.137	20	30		DCEDRM
CS(=O)(=O)c1ncnn1Cc1cccc(C(=O)[O-])c1C#N	ZINC001599775230	992293297	/nfs/dbraw/zinc/29/32/97/992293297.db2.gz	KKRLFQIWJBBHCC-UHFFFAOYSA-N	-1	0	306.303	0.300	20	30		DCEDRM
CN1CCCN(Cc2cccc(C(=O)[O-])c2C#N)S1(=O)=O	ZINC001598601599	993577136	/nfs/dbraw/zinc/57/71/36/993577136.db2.gz	WBKQTRPWYLDEFJ-UHFFFAOYSA-N	-1	0	309.347	0.639	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](CNC(=O)[C@@H](C)C#N)C(C)C)c1[O-]	ZINC001399613379	993608848	/nfs/dbraw/zinc/60/88/48/993608848.db2.gz	JBHCTYWXXKQROC-WCBMZHEXSA-N	-1	0	307.354	0.454	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(O)(C(=O)[O-])CC1	ZINC001598714501	995389103	/nfs/dbraw/zinc/38/91/03/995389103.db2.gz	VXGJNSJNZHZBHM-ZDUSSCGKSA-N	-1	0	318.329	0.684	20	30		DCEDRM
COC(=O)C1(C(=O)N(CC#N)CCC(=O)[O-])CC2(CCC2)C1	ZINC001598716042	995410155	/nfs/dbraw/zinc/41/01/55/995410155.db2.gz	DRDXLOOEXVVRLS-UHFFFAOYSA-N	-1	0	308.334	0.937	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(C#N)ccn1	ZINC001598773107	995902402	/nfs/dbraw/zinc/90/24/02/995902402.db2.gz	YBHFIKDOSBMCQO-PWSUYJOCSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(C#N)ccn1	ZINC001598777281	995943609	/nfs/dbraw/zinc/94/36/09/995943609.db2.gz	LQSVXQAOMDEWAC-WCQYABFASA-N	-1	0	303.318	0.791	20	30		DCEDRM
C#CCSCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001465292125	1015994097	/nfs/dbraw/zinc/99/40/97/1015994097.db2.gz	UQDBPVJDYUQTMV-UHFFFAOYSA-N	-1	0	302.363	0.171	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2cccc(C#N)c2)C[C@@H]1C(=O)[O-]	ZINC001598819572	996309671	/nfs/dbraw/zinc/30/96/71/996309671.db2.gz	CMWXFWCNSCSSNZ-RYUDHWBXSA-N	-1	0	302.286	0.504	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2cccc(C#N)c2C)C[C@@H]1C(=O)[O-]	ZINC001598820122	996316724	/nfs/dbraw/zinc/31/67/24/996316724.db2.gz	FRZMOYPBUZJSJU-QWHCGFSZSA-N	-1	0	316.313	0.813	20	30		DCEDRM
COC(=O)C[C@H](NC(=O)/C=C/c1ccccc1C#N)C(=O)[O-]	ZINC001598836500	996489899	/nfs/dbraw/zinc/48/98/99/996489899.db2.gz	DPXUKMWQVGMQNO-SYTKJHMZSA-N	-1	0	302.286	0.704	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NCC#N	ZINC001507158607	1016042654	/nfs/dbraw/zinc/04/26/54/1016042654.db2.gz	CQROJGPPFZAXDX-QMMMGPOBSA-N	-1	0	308.304	0.404	20	30		DCEDRM
CC1(C)C[C@@]1(C#N)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC001593863062	996661806	/nfs/dbraw/zinc/66/18/06/996661806.db2.gz	BMZNHUINILSEAA-JTQLQIEISA-N	-1	0	301.349	0.812	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CC(C)(C#N)C1	ZINC001599380986	996846115	/nfs/dbraw/zinc/84/61/15/996846115.db2.gz	OZHTZDIPNAWFDD-LBPRGKRZSA-N	-1	0	320.345	0.979	20	30		DCEDRM
COCC[C@@](C)(C#N)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001599207445	997436332	/nfs/dbraw/zinc/43/63/32/997436332.db2.gz	MTJWUKLJIDJPPA-NSHDSACASA-N	-1	0	301.324	0.310	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1	ZINC001502906670	1016127449	/nfs/dbraw/zinc/12/74/49/1016127449.db2.gz	PRANZBVHNYOZRG-MNOVXSKESA-N	-1	0	309.370	0.182	20	30		DCEDRM
CON=CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1	ZINC001599320636	997574596	/nfs/dbraw/zinc/57/45/96/997574596.db2.gz	RMSGXEDDALGDPK-JTQLQIEISA-N	-1	0	310.306	0.968	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)CNc2ccc(C#N)cn2)[C@@H](C(=O)[O-])C1	ZINC001599119029	997705734	/nfs/dbraw/zinc/70/57/34/997705734.db2.gz	JVZKVPDRUZZQBB-VXGBXAGGSA-N	-1	0	318.333	0.456	20	30		DCEDRM
COc1ccc(COCC(=O)N(CC#N)CCC(=O)[O-])cn1	ZINC001599576111	998444921	/nfs/dbraw/zinc/44/49/21/998444921.db2.gz	VYRHVUMKWFSQLA-UHFFFAOYSA-N	-1	0	307.306	0.434	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN1C[C@H]2CC[C@@H](C1)O2	ZINC001468118858	1016225757	/nfs/dbraw/zinc/22/57/57/1016225757.db2.gz	DQRYRVHHUNRQRO-BETUJISGSA-N	-1	0	316.361	0.560	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC(=O)N[C@@H](C)C2)cc1C#N	ZINC001468189418	1016232438	/nfs/dbraw/zinc/23/24/38/1016232438.db2.gz	CVDIBAXSEUHNHC-ZETCQYMHSA-N	-1	0	306.347	0.341	20	30		DCEDRM
COCc1n[nH]c(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)n1	ZINC001469878939	1016369907	/nfs/dbraw/zinc/36/99/07/1016369907.db2.gz	LFLDAZKSARWEAJ-UHFFFAOYSA-N	-1	0	302.294	0.162	20	30		DCEDRM
C[C@@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccn1	ZINC001418427325	1000212835	/nfs/dbraw/zinc/21/28/35/1000212835.db2.gz	PELPOEMSTKXYQQ-JTQLQIEISA-N	-1	0	313.317	0.135	20	30		DCEDRM
CSCC[C@H](NC(=O)c1ccc(C#N)cn1)c1nnn[n-]1	ZINC001470328930	1016419028	/nfs/dbraw/zinc/41/90/28/1016419028.db2.gz	JHBHLCWRYITLTH-VIFPVBQESA-N	-1	0	303.351	0.691	20	30		DCEDRM
CC(C)[C@]1(C)C[C@@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001470361881	1016424971	/nfs/dbraw/zinc/42/49/71/1016424971.db2.gz	ZRVFLSINSFSJHW-ABAIWWIYSA-N	-1	0	304.350	0.619	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2ccn(CCF)n2)c(=O)[n-]c1=O	ZINC001418961718	1000649503	/nfs/dbraw/zinc/64/95/03/1000649503.db2.gz	BVYIDWXABKWDAQ-UHFFFAOYSA-N	-1	0	320.284	0.015	20	30		DCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCC[C@H]1C#N	ZINC001471050319	1016515769	/nfs/dbraw/zinc/51/57/69/1016515769.db2.gz	LHWAZACJCXUMHX-JQWIXIFHSA-N	-1	0	315.333	0.361	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](CO)[C@H](CCO)C1	ZINC001420680010	1002794230	/nfs/dbraw/zinc/79/42/30/1002794230.db2.gz	PPAHBNGXWNQQAE-ZYHUDNBSSA-N	-1	0	305.334	0.030	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)cn1	ZINC001471854911	1016674690	/nfs/dbraw/zinc/67/46/90/1016674690.db2.gz	YTSGEECAOMLKMA-GFCCVEGCSA-N	-1	0	311.349	0.490	20	30		DCEDRM
CCOC(=O)CC1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001421045462	1003264085	/nfs/dbraw/zinc/26/40/85/1003264085.db2.gz	KDWTXIMJUBHDFJ-UHFFFAOYSA-N	-1	0	320.349	0.115	20	30		DCEDRM
CC(C)[C@@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccnn1C	ZINC001421134016	1003367269	/nfs/dbraw/zinc/36/72/69/1003367269.db2.gz	YEWUNAQCMRIJKT-LLVKDONJSA-N	-1	0	316.365	0.530	20	30		DCEDRM
COc1cccc(F)c1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421282027	1003498400	/nfs/dbraw/zinc/49/84/00/1003498400.db2.gz	YHGLKNICTPHULJ-UHFFFAOYSA-N	-1	0	304.281	0.705	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC2(OCCO)CCCCC2)c(C#N)c1=O	ZINC001421288569	1003504412	/nfs/dbraw/zinc/50/44/12/1003504412.db2.gz	FIMQDPZICMDHDL-UHFFFAOYSA-N	-1	0	322.365	0.069	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2ccccc2[N+](=O)[O-])c(C#N)c1=O	ZINC001472772396	1016851741	/nfs/dbraw/zinc/85/17/41/1016851741.db2.gz	IPWIPPLTUYUPHD-UHFFFAOYSA-N	-1	0	315.289	0.508	20	30		DCEDRM
CC[C@@H]1CCC[C@@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001427176178	1004241308	/nfs/dbraw/zinc/24/13/08/1004241308.db2.gz	RDJIGKUHABPUNO-PWSUYJOCSA-N	-1	0	319.365	0.698	20	30		DCEDRM
CCCCCN(CC(N)=O)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001473301354	1016922028	/nfs/dbraw/zinc/92/20/28/1016922028.db2.gz	OGXFSKHDAGGEFI-UHFFFAOYSA-N	-1	0	316.365	0.784	20	30		DCEDRM
CC(C)(C)CCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001414534470	1005355165	/nfs/dbraw/zinc/35/51/65/1005355165.db2.gz	KLALDZHDIPNKAX-UHFFFAOYSA-N	-1	0	307.354	0.556	20	30		DCEDRM
CCn1nc(C)c(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1C	ZINC001417655338	1005861460	/nfs/dbraw/zinc/86/14/60/1005861460.db2.gz	CEYCACVWEDQFFR-UHFFFAOYSA-N	-1	0	316.321	0.293	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCc2nc[nH]c(=O)c2C1	ZINC001417718025	1005875324	/nfs/dbraw/zinc/87/53/24/1005875324.db2.gz	SBEGFRHAWXMDFR-UHFFFAOYSA-N	-1	0	311.301	0.661	20	30		DCEDRM
CO[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1C	ZINC001417871888	1005910711	/nfs/dbraw/zinc/91/07/11/1005910711.db2.gz	QSSWLCIVAGEDKM-PWSUYJOCSA-N	-1	0	320.349	0.094	20	30		DCEDRM
CO[C@@H]1COCC[C@@H]1CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417877607	1005912655	/nfs/dbraw/zinc/91/26/55/1005912655.db2.gz	JAIRIPHIIIGGMT-ZYHUDNBSSA-N	-1	0	305.334	0.749	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@H]2CCC[C@H]2C2CC2)c(=O)[n-]c1=O	ZINC001418005052	1005953029	/nfs/dbraw/zinc/95/30/29/1005953029.db2.gz	BSFRLNDCMWCXAS-YPMHNXCESA-N	-1	0	316.361	0.763	20	30		DCEDRM
CCN(CC)C(=O)CN(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001440643335	1007937782	/nfs/dbraw/zinc/93/77/82/1007937782.db2.gz	GEEDQGNVTGWLKH-UHFFFAOYSA-N	-1	0	304.350	0.908	20	30		DCEDRM
CN(C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C1(C#N)CCC1	ZINC001433623290	1009013618	/nfs/dbraw/zinc/01/36/18/1009013618.db2.gz	BDJIOSONARVFOG-UHFFFAOYSA-N	-1	0	313.317	0.784	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@H]2CCCSC2)c(=O)[n-]c1=O	ZINC001434038989	1009479765	/nfs/dbraw/zinc/47/97/65/1009479765.db2.gz	BUAIPLYHLXZOGY-SECBINFHSA-N	-1	0	308.363	0.080	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN1CCO[C@@H](C)C1	ZINC001442913973	1009928220	/nfs/dbraw/zinc/92/82/20/1009928220.db2.gz	GDBLYMYBEHTNBB-NSHDSACASA-N	-1	0	304.350	0.418	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]N2Cc3ccccc3C2=O)cn1	ZINC001434576933	1010111525	/nfs/dbraw/zinc/11/15/25/1010111525.db2.gz	SINYIQHNEYEZFB-UHFFFAOYSA-N	-1	0	314.326	0.803	20	30		DCEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)o1	ZINC001515066175	1017097716	/nfs/dbraw/zinc/09/77/16/1017097716.db2.gz	GNWPIQRXOZJYSO-JTQLQIEISA-N	-1	0	310.331	0.168	20	30		DCEDRM
Cc1cccnc1[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001457138189	1011598950	/nfs/dbraw/zinc/59/89/50/1011598950.db2.gz	MWJCHHWPTSNZFN-JTQLQIEISA-N	-1	0	313.317	0.401	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1s[n-]c(=O)c1Cl)C(=O)OC	ZINC001556375515	1012201011	/nfs/dbraw/zinc/20/10/11/1012201011.db2.gz	LNVXBPSYWAUMKJ-LURJTMIESA-N	-1	0	320.754	0.976	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cc(=O)[nH]c(=S)[nH]1	ZINC001557318119	1012273331	/nfs/dbraw/zinc/27/33/31/1012273331.db2.gz	IMXJUZBEPDWPRS-UHFFFAOYSA-N	-1	0	317.330	0.682	20	30		DCEDRM
COc1ccccc1NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001459135313	1012588866	/nfs/dbraw/zinc/58/88/66/1012588866.db2.gz	DUMBOSNEYKXZRG-UHFFFAOYSA-N	-1	0	300.274	0.056	20	30		DCEDRM
CC(C)C[C@H](C)OC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001475509838	1017116406	/nfs/dbraw/zinc/11/64/06/1017116406.db2.gz	BFQHDBLODBRZAS-JTQLQIEISA-N	-1	0	308.338	0.981	20	30		DCEDRM
C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC001475641389	1017129869	/nfs/dbraw/zinc/12/98/69/1017129869.db2.gz	PNOZWHXLOLIWGF-MGCOHNPYSA-N	-1	0	312.351	0.799	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001479798135	1017781276	/nfs/dbraw/zinc/78/12/76/1017781276.db2.gz	SCNDFBIXBHOTAC-MNOVXSKESA-N	-1	0	309.370	0.040	20	30		DCEDRM
C#CCN(C(=O)C=C(C)C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001500023914	1018177426	/nfs/dbraw/zinc/17/74/26/1018177426.db2.gz	XPYULAJZSZOESF-UHFFFAOYSA-N	-1	0	317.393	0.903	20	30		DCEDRM
C[C@H](C#N)C(=O)NCC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001500416761	1018446205	/nfs/dbraw/zinc/44/62/05/1018446205.db2.gz	YXBFDWKYCCDAKQ-SNVBAGLBSA-N	-1	0	306.370	0.388	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CNC(=O)NC1CCCCC1	ZINC001608185565	1170612302	/nfs/dbraw/zinc/61/23/02/1170612302.db2.gz	XGSLJRADEQOFLB-UHFFFAOYSA-N	-1	0	310.354	0.445	20	30		DCEDRM
C#C[C@H](CC)NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC001609019455	1170785071	/nfs/dbraw/zinc/78/50/71/1170785071.db2.gz	UNCMHAISFMCTCU-MRVPVSSYSA-N	-1	0	309.326	0.696	20	30		DCEDRM
C=C(C)COCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001609051854	1170792945	/nfs/dbraw/zinc/79/29/45/1170792945.db2.gz	YLCSFCYBQJOCIQ-UHFFFAOYSA-N	-1	0	313.339	0.331	20	30		DCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000187767983	237357742	/nfs/dbraw/zinc/35/77/42/237357742.db2.gz	LLUFDNNZWQRTKV-UHFFFAOYSA-N	-1	0	322.350	0.013	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C	ZINC000497307001	241277379	/nfs/dbraw/zinc/27/73/79/241277379.db2.gz	YIOMLAZTOHXZBA-VIFPVBQESA-N	-1	0	302.327	0.677	20	30		DCEDRM
COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1	ZINC000274968701	212049378	/nfs/dbraw/zinc/04/93/78/212049378.db2.gz	CCLMRXLARXBLGY-SNVBAGLBSA-N	-1	0	312.347	0.668	20	30		DCEDRM
COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cc1[N+](=O)[O-]	ZINC000336855791	252806899	/nfs/dbraw/zinc/80/68/99/252806899.db2.gz	ZGSGFGDJBZIFFX-UHFFFAOYSA-N	-1	0	323.290	0.999	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCC(=O)NCC2CC2)cc1C#N	ZINC000351514507	254342001	/nfs/dbraw/zinc/34/20/01/254342001.db2.gz	XPAVXPPVZYIHGG-UHFFFAOYSA-N	-1	0	320.374	0.637	20	30		DCEDRM
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)[C@H]1C(=O)[O-]	ZINC000300296906	296397941	/nfs/dbraw/zinc/39/79/41/296397941.db2.gz	FKFOYRQBOVGQGB-BXKDBHETSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@H](CC#N)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000267601521	533616850	/nfs/dbraw/zinc/61/68/50/533616850.db2.gz	AUOXGQPYKZRXFX-ZCFIWIBFSA-N	-1	0	309.307	0.016	20	30		DCEDRM
COCC[C@H](NS(=O)(=O)c1ccc(C#N)c(C)c1)C(=O)[O-]	ZINC000234696044	395890642	/nfs/dbraw/zinc/89/06/42/395890642.db2.gz	CJUCVKDTJORIQZ-LBPRGKRZSA-N	-1	0	312.347	0.635	20	30		DCEDRM
COC[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000126094319	395909068	/nfs/dbraw/zinc/90/90/68/395909068.db2.gz	NZRIZHLHVASTDW-JTQLQIEISA-N	-1	0	318.738	0.590	20	30		DCEDRM
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@@H](C(=O)[O-])C1	ZINC000230109080	395878835	/nfs/dbraw/zinc/87/88/35/395878835.db2.gz	YUFQXSIBKXMQEM-BXKDBHETSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000159635254	396069248	/nfs/dbraw/zinc/06/92/48/396069248.db2.gz	UICPHHHNLLXSPS-LDWIPMOCSA-N	-1	0	318.738	0.324	20	30		DCEDRM
C[C@@](O)(CNS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000263513527	396219164	/nfs/dbraw/zinc/21/91/64/396219164.db2.gz	YSZIOJSZBAGIDR-LLVKDONJSA-N	-1	0	318.738	0.326	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(C)nn1C	ZINC000185702295	396333012	/nfs/dbraw/zinc/33/30/12/396333012.db2.gz	VDOPYHCYOYZWSA-UHFFFAOYSA-N	-1	0	307.335	0.805	20	30		DCEDRM
CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000290744908	396471475	/nfs/dbraw/zinc/47/14/75/396471475.db2.gz	XOYJJFHHKMROLO-VXGBXAGGSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CCOC[C@@H](NS(=O)(=O)c1cccc(C)c1C#N)C(=O)[O-]	ZINC000290984634	396476897	/nfs/dbraw/zinc/47/68/97/396476897.db2.gz	QRHUJLZRRMDCCD-LLVKDONJSA-N	-1	0	312.347	0.635	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H](CCF)C(=O)[O-]	ZINC000594572799	396488145	/nfs/dbraw/zinc/48/81/45/396488145.db2.gz	CHMYCXTZBJJOGY-LLVKDONJSA-N	-1	0	318.301	0.930	20	30		DCEDRM
C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1n[n-]c(=O)o1	ZINC000595547183	396628725	/nfs/dbraw/zinc/62/87/25/396628725.db2.gz	NHZRCPIBRGCALO-JTQLQIEISA-N	-1	0	307.354	0.938	20	30		DCEDRM
COC(=O)c1ccc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)c(C#N)n1	ZINC000595981599	396702249	/nfs/dbraw/zinc/70/22/49/396702249.db2.gz	YGKAVVNHAOHMEX-HNBZJPLGSA-N	-1	0	305.290	0.376	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000596021415	396708879	/nfs/dbraw/zinc/70/88/79/396708879.db2.gz	CEVMRMMRLBYPSR-ZYHUDNBSSA-N	-1	0	317.411	0.803	20	30		DCEDRM
CSc1nc(=NC(=O)NC2CCN(CC#N)CC2)s[n-]1	ZINC000610781351	396763484	/nfs/dbraw/zinc/76/34/84/396763484.db2.gz	KJEVBBIBOVMBHU-UHFFFAOYSA-N	-1	0	312.424	0.791	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000313391821	396769610	/nfs/dbraw/zinc/76/96/10/396769610.db2.gz	LJNVVEJHHKFBNY-UHFFFAOYSA-N	-1	0	308.315	0.541	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	ZINC000600657141	396907206	/nfs/dbraw/zinc/90/72/06/396907206.db2.gz	JIKUYXJGOISUKR-MRVPVSSYSA-N	-1	0	308.306	0.804	20	30		DCEDRM
CC(C)(CCNC(=O)C(=O)N1CCC[C@@](C)(C#N)C1)C(=O)[O-]	ZINC000591691988	396978621	/nfs/dbraw/zinc/97/86/21/396978621.db2.gz	DKKSDILYTAKGCG-HNNXBMFYSA-N	-1	0	309.366	0.756	20	30		DCEDRM
C[C@H]1CCC[C@@](C#N)(NS(=O)(=O)CCCS(N)(=O)=O)C1	ZINC000349446410	397073811	/nfs/dbraw/zinc/07/38/11/397073811.db2.gz	HSQJBEDSCWODPC-WDEREUQCSA-N	-1	0	323.440	0.057	20	30		DCEDRM
N#CC[C@]1(O)CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1	ZINC000592152250	397108731	/nfs/dbraw/zinc/10/87/31/397108731.db2.gz	VXPMOKYRVRDKCU-AWEZNQCLSA-N	-1	0	320.374	0.359	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])c1	ZINC000619470852	397135064	/nfs/dbraw/zinc/13/50/64/397135064.db2.gz	BEAAFSSEZNLPNM-LLVKDONJSA-N	-1	0	312.372	0.901	20	30		DCEDRM
Cc1cc(C)c(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)c(C)c1	ZINC000592354491	397159144	/nfs/dbraw/zinc/15/91/44/397159144.db2.gz	GHPPFHWRVHVYTI-UHFFFAOYSA-N	-1	0	312.329	0.972	20	30		DCEDRM
N#CCc1ccc(CS(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000592455017	397183068	/nfs/dbraw/zinc/18/30/68/397183068.db2.gz	XGUYLOOJRBWXDY-CYBMUJFWSA-N	-1	0	324.358	0.368	20	30		DCEDRM
CC(C)Cc1nc(=NC(=O)[C@@H](C)n2cnc(C#N)n2)s[n-]1	ZINC000598190375	397187896	/nfs/dbraw/zinc/18/78/96/397187896.db2.gz	BVRFHNDULVNWMQ-MRVPVSSYSA-N	-1	0	305.367	0.821	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)[n-]c1C#N	ZINC000598663380	397270253	/nfs/dbraw/zinc/27/02/53/397270253.db2.gz	XUHFNPFMFRNIOQ-IVZWLZJFSA-N	-1	0	312.333	0.786	20	30		DCEDRM
CN(Cc1ccsc1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602037426	397289117	/nfs/dbraw/zinc/28/91/17/397289117.db2.gz	ASOWWTMCCZGKNL-UHFFFAOYSA-N	-1	0	318.358	0.931	20	30		DCEDRM
CC(C)CCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC000602053679	397291004	/nfs/dbraw/zinc/29/10/04/397291004.db2.gz	ZFILMNAEQNAAMD-UHFFFAOYSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CCC1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602072797	397292996	/nfs/dbraw/zinc/29/29/96/397292996.db2.gz	IUHAUPPMLWJAKS-UHFFFAOYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
CC[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602101368	397300659	/nfs/dbraw/zinc/30/06/59/397300659.db2.gz	HYTNMMKUJFTYHR-LLVKDONJSA-N	-1	0	304.350	0.859	20	30		DCEDRM
C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC(C)(C)C1	ZINC000602131151	397312692	/nfs/dbraw/zinc/31/26/92/397312692.db2.gz	RJEGOLZXZZUATB-JTQLQIEISA-N	-1	0	304.350	0.715	20	30		DCEDRM
N#Cc1ccncc1N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC000593325961	397351121	/nfs/dbraw/zinc/35/11/21/397351121.db2.gz	GCCVBNGUNNQJPG-GFCCVEGCSA-N	-1	0	314.345	0.855	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCC[C@@H](C3CC3)C2)c(=O)[n-]c1=O	ZINC000602152727	397324579	/nfs/dbraw/zinc/32/45/79/397324579.db2.gz	RYOZAZOKNDAENE-GFCCVEGCSA-N	-1	0	316.361	0.859	20	30		DCEDRM
C=C[C@](C)(O)C(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000614560034	397469786	/nfs/dbraw/zinc/46/97/86/397469786.db2.gz	ARERYWIZTZCTHT-LBPRGKRZSA-N	-1	0	300.336	0.176	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000578991593	397510848	/nfs/dbraw/zinc/51/08/48/397510848.db2.gz	JCFRIQWVGQJZSU-IJLUTSLNSA-N	-1	0	317.411	0.946	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)NCC2(CC#N)CC2)CC[C@@H]1C(=O)[O-]	ZINC000599940790	397547342	/nfs/dbraw/zinc/54/73/42/397547342.db2.gz	QZXVANACDDJIDS-MNOVXSKESA-N	-1	0	307.350	0.366	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)NCC2(C#N)CCC2)cn1	ZINC000600017840	397562830	/nfs/dbraw/zinc/56/28/30/397562830.db2.gz	MQVYDRVOZZIMSI-UHFFFAOYSA-N	-1	0	308.363	0.877	20	30		DCEDRM
CCn1nccc1/C=C\C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000492908206	397524917	/nfs/dbraw/zinc/52/49/17/397524917.db2.gz	FYXHHHMEIWRJEQ-ARJAWSKDSA-N	-1	0	308.363	0.666	20	30		DCEDRM
N#CCOc1ccc(C=CC(=O)NC2(c3nnn[n-]3)CC2)cc1	ZINC000493111051	397525496	/nfs/dbraw/zinc/52/54/96/397525496.db2.gz	BFAXNSPNXPGUQE-ZZXKWVIFSA-N	-1	0	310.317	0.921	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000579837677	397594819	/nfs/dbraw/zinc/59/48/19/397594819.db2.gz	MCIKUBJEFLGXBC-JTQLQIEISA-N	-1	0	306.318	0.624	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000230106509	158622747	/nfs/dbraw/zinc/62/27/47/158622747.db2.gz	NMLIPJCATDTLFJ-GHMZBOCLSA-N	-1	0	310.331	0.075	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1cc(OC)c(OC)cc1F	ZINC000290205873	415774389	/nfs/dbraw/zinc/77/43/89/415774389.db2.gz	NIJPTCCEJUXLGC-MRVPVSSYSA-N	-1	0	305.327	0.668	20	30		DCEDRM
C=C[C@@H](CO)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S	ZINC000290472565	415809360	/nfs/dbraw/zinc/80/93/60/415809360.db2.gz	DDROWXGGQBJKRV-JTQLQIEISA-N	-1	0	319.386	0.738	20	30		DCEDRM
COC(=O)CCS(=O)(=O)[N-]c1nn(C(C)C)cc1C#N	ZINC000357134195	416037062	/nfs/dbraw/zinc/03/70/62/416037062.db2.gz	WMIOVBBUOFVXFD-UHFFFAOYSA-N	-1	0	300.340	0.640	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1COCCO1	ZINC000330508846	416211655	/nfs/dbraw/zinc/21/16/55/416211655.db2.gz	OYKXXPKLPWVZMP-SNVBAGLBSA-N	-1	0	314.363	0.778	20	30		DCEDRM
C=CCC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-]	ZINC000262890043	416337193	/nfs/dbraw/zinc/33/71/93/416337193.db2.gz	LKIZNFFKJSWOBW-VHSXEESVSA-N	-1	0	320.411	0.486	20	30		DCEDRM
C=CCC[C@H](NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(=O)[O-]	ZINC000262972354	416337217	/nfs/dbraw/zinc/33/72/17/416337217.db2.gz	SSSUJMKWGNLWPF-IMSIIYSGSA-N	-1	0	312.391	0.976	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2nccc(C#N)n2)C1=O	ZINC000416442644	416369858	/nfs/dbraw/zinc/36/98/58/416369858.db2.gz	FURJRILVVQAJKJ-MNOVXSKESA-N	-1	0	303.322	0.470	20	30		DCEDRM
C#CCNC(=O)C1CCN([C@H](C)C(=O)Nc2cc(C)no2)CC1	ZINC000491105113	416585092	/nfs/dbraw/zinc/58/50/92/416585092.db2.gz	VBKHDHNSVXKGAU-GFCCVEGCSA-N	-1	0	318.377	0.771	20	30		DCEDRM
C=CCCn1cc(C(=O)NC2(CC(=O)[O-])CCOCC2)nn1	ZINC000425250491	416688000	/nfs/dbraw/zinc/68/80/00/416688000.db2.gz	VWJSCGMZKMPGPA-UHFFFAOYSA-N	-1	0	308.338	0.608	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)o1	ZINC000443419264	416757119	/nfs/dbraw/zinc/75/71/19/416757119.db2.gz	PXFSBVQCRAQVSE-UHFFFAOYSA-N	-1	0	310.291	0.472	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2ccc(C#N)cn2)c1	ZINC000562412338	416864567	/nfs/dbraw/zinc/86/45/67/416864567.db2.gz	DVGCZTXZWQXSIX-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](CC)[C@H]1CCCO1)C(=O)[O-]	ZINC000562457310	416868278	/nfs/dbraw/zinc/86/82/78/416868278.db2.gz	HSYCCJXWDDJVSH-SDDRHHMPSA-N	-1	0	300.355	0.899	20	30		DCEDRM
N#CCCC1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000519608347	416922941	/nfs/dbraw/zinc/92/29/41/416922941.db2.gz	NEVHXTWVWQZXGY-ZDUSSCGKSA-N	-1	0	321.377	0.852	20	30		DCEDRM
CC[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC)C(=O)[O-]	ZINC000568974429	417199408	/nfs/dbraw/zinc/19/94/08/417199408.db2.gz	RRRVUMAHKUMABB-SECBINFHSA-N	-1	0	305.290	0.485	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000627275269	417323844	/nfs/dbraw/zinc/32/38/44/417323844.db2.gz	GUKGSZSKGIPVGS-RYUDHWBXSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000529022595	417410404	/nfs/dbraw/zinc/41/04/04/417410404.db2.gz	SEMWEMZDEYHYGV-COMAGPEQSA-N	-1	0	323.374	0.818	20	30		DCEDRM
N#CCCCCS(=O)(=O)N1CCn2cccc2[C@H]1C(=O)[O-]	ZINC000571198707	417433482	/nfs/dbraw/zinc/43/34/82/417433482.db2.gz	VYNXHDAJTZIDHU-LBPRGKRZSA-N	-1	0	311.363	0.953	20	30		DCEDRM
CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](C)C#N	ZINC000571493655	417446828	/nfs/dbraw/zinc/44/68/28/417446828.db2.gz	HAFBQIFBAIVZKZ-HTQZYQBOSA-N	-1	0	316.301	0.950	20	30		DCEDRM
CC[C@@H](CCNS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)[O-]	ZINC000572004653	417454936	/nfs/dbraw/zinc/45/49/36/417454936.db2.gz	JJKJTPONOIRNLZ-MNOVXSKESA-N	-1	0	305.400	0.803	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@](C)(COC)C(=O)[O-]	ZINC000572936350	417465451	/nfs/dbraw/zinc/46/54/51/417465451.db2.gz	CLQKMEYEJRHWCB-COPLHBTASA-N	-1	0	300.355	0.757	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000574330406	417484502	/nfs/dbraw/zinc/48/45/02/417484502.db2.gz	UZOSAPXTSUWCDC-PSASIEDQSA-N	-1	0	317.392	0.942	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-]	ZINC000663286420	418006447	/nfs/dbraw/zinc/00/64/47/418006447.db2.gz	CQNDACZTRJCSRW-LLVKDONJSA-N	-1	0	303.380	0.848	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000663622205	418038878	/nfs/dbraw/zinc/03/88/78/418038878.db2.gz	DSNIHZVNCQMQLW-LBPRGKRZSA-N	-1	0	312.366	0.312	20	30		DCEDRM
C=CC[C@@H](C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000659054152	418050184	/nfs/dbraw/zinc/05/01/84/418050184.db2.gz	VNRGJTUZAAYIDA-SECBINFHSA-N	-1	0	308.338	0.722	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000659061454	418052127	/nfs/dbraw/zinc/05/21/27/418052127.db2.gz	VIYLFJPAGLLZKG-KOLCDFICSA-N	-1	0	319.317	0.568	20	30		DCEDRM
C=CCC[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)C(=O)[O-]	ZINC000659153268	418066851	/nfs/dbraw/zinc/06/68/51/418066851.db2.gz	HHKRVSTVHUFRDD-LLVKDONJSA-N	-1	0	323.353	0.105	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659406915	418092780	/nfs/dbraw/zinc/09/27/80/418092780.db2.gz	XCDMIKJLMPOAPQ-MCYUEQNJSA-N	-1	0	310.350	0.463	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659655185	418137432	/nfs/dbraw/zinc/13/74/32/418137432.db2.gz	FJPWNNWVCDEKFI-RYUDHWBXSA-N	-1	0	324.377	0.455	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000649238634	418213185	/nfs/dbraw/zinc/21/31/85/418213185.db2.gz	FELIPQYGERVRHR-GFCCVEGCSA-N	-1	0	301.302	0.534	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc2c(n1)OCCO2)C(=O)[O-]	ZINC000656244170	418337829	/nfs/dbraw/zinc/33/78/29/418337829.db2.gz	OHJXFYWDPCRJID-JTQLQIEISA-N	-1	0	308.290	0.238	20	30		DCEDRM
C=CCOCCCNC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000656595818	418365210	/nfs/dbraw/zinc/36/52/10/418365210.db2.gz	RTYIZDNXGJSTNC-NEPJUHHUSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCCc1cnccc1C)C(=O)[O-]	ZINC000656591960	418365560	/nfs/dbraw/zinc/36/55/60/418365560.db2.gz	KHGDSSGLXRBNIC-ZDUSSCGKSA-N	-1	0	307.350	0.888	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)[n-]c1C#N	ZINC000355024187	268324094	/nfs/dbraw/zinc/32/40/94/268324094.db2.gz	YFFWEJDCIKEMLN-VIFPVBQESA-N	-1	0	312.333	0.883	20	30		DCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)[O-]	ZINC000263568360	287752690	/nfs/dbraw/zinc/75/26/90/287752690.db2.gz	YJPVUTHLCMRDDY-QWRGUYRKSA-N	-1	0	321.399	0.182	20	30		DCEDRM
CCN(CC)c1n[nH]c([N-]S(=O)(=O)c2ccn(C)n2)c1C#N	ZINC000548368969	288136623	/nfs/dbraw/zinc/13/66/23/288136623.db2.gz	AZECKEUORZGSSA-UHFFFAOYSA-N	-1	0	323.382	0.662	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2nn(C)cc2C#N)c1	ZINC000555770849	288361835	/nfs/dbraw/zinc/36/18/35/288361835.db2.gz	FSYOVFFHLLEXRW-UHFFFAOYSA-N	-1	0	321.318	0.274	20	30		DCEDRM
C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000558851834	288461347	/nfs/dbraw/zinc/46/13/47/288461347.db2.gz	KGHOVAICAJLJRR-QMMMGPOBSA-N	-1	0	300.311	0.837	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1C#N	ZINC000364406881	302011927	/nfs/dbraw/zinc/01/19/27/302011927.db2.gz	CCNWRVQVNFULEP-LLVKDONJSA-N	-1	0	324.358	0.731	20	30		DCEDRM
Cn1c(NC2CCC(C(=O)[O-])CC2)c(C#N)c(=O)n(C)c1=O	ZINC000263556703	302897076	/nfs/dbraw/zinc/89/70/76/302897076.db2.gz	OURRYFILSIMMJN-UHFFFAOYSA-N	-1	0	306.322	0.011	20	30		DCEDRM
N#C[C@@H]1CSCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000342210449	303163639	/nfs/dbraw/zinc/16/36/39/303163639.db2.gz	SBMFYQOWFALRJN-MRVPVSSYSA-N	-1	0	317.330	0.517	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	ZINC000518542116	332077674	/nfs/dbraw/zinc/07/76/74/332077674.db2.gz	KELMIBFFZPKVNX-CMPLNLGQSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C	ZINC000577735309	332305593	/nfs/dbraw/zinc/30/55/93/332305593.db2.gz	ABPRNDVXGKINRL-ZJUUUORDSA-N	-1	0	305.400	0.802	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H](C)Cn1cccn1)C(=O)[O-]	ZINC000566774932	332559737	/nfs/dbraw/zinc/55/97/37/332559737.db2.gz	HSTNVVBJYMBHTE-NWDGAFQWSA-N	-1	0	310.354	0.474	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	ZINC000569698312	332663432	/nfs/dbraw/zinc/66/34/32/332663432.db2.gz	OOZOHTJRRIVGOS-WDEREUQCSA-N	-1	0	305.400	0.802	20	30		DCEDRM
O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1n[nH]c(=O)[n-]1	ZINC000330061237	336110279	/nfs/dbraw/zinc/11/02/79/336110279.db2.gz	NYVOOEJEOYLDGG-RKDXNWHRSA-N	-1	0	321.337	0.532	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)NCCSCC(=O)[O-])ccc1F	ZINC000389460607	336393899	/nfs/dbraw/zinc/39/38/99/336393899.db2.gz	CJOWLZMTYSDLJS-UHFFFAOYSA-N	-1	0	318.351	0.793	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)OC)C(C)C)CC1	ZINC000497011871	340018199	/nfs/dbraw/zinc/01/81/99/340018199.db2.gz	SMPBFTRIIDJQKA-JTQLQIEISA-N	-1	0	318.395	0.922	20	30		DCEDRM
C[C@H](CC#N)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000436749452	338285346	/nfs/dbraw/zinc/28/53/46/338285346.db2.gz	AYGNPGFCNYNXQK-SECBINFHSA-N	-1	0	311.363	0.674	20	30		DCEDRM
N#CC1(CS(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)[O-])CC1	ZINC000547873897	341238667	/nfs/dbraw/zinc/23/86/67/341238667.db2.gz	DOSVEBUKKDDLLT-LLVKDONJSA-N	-1	0	323.374	0.548	20	30		DCEDRM
C[C@H]1CCC[C@@](NS(=O)(=O)N(C)CCC#N)(C(=O)[O-])C1	ZINC000548837626	341277511	/nfs/dbraw/zinc/27/75/11/341277511.db2.gz	IJAMJGNJDLGYRP-JQWIXIFHSA-N	-1	0	303.384	0.700	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000566908959	341571366	/nfs/dbraw/zinc/57/13/66/341571366.db2.gz	OSKVKJSNEODWQL-NSHDSACASA-N	-1	0	320.345	0.933	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1[C@@H](C(=O)[O-])CCC1(C)C	ZINC000568001301	341644984	/nfs/dbraw/zinc/64/49/84/341644984.db2.gz	VLPJIVUFKWSLFN-NXEZZACHSA-N	-1	0	303.384	0.650	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H](C)c1cn(C)nc1C)C(=O)[O-]	ZINC000576855609	341866534	/nfs/dbraw/zinc/86/65/34/341866534.db2.gz	IPAQODZLODOOMI-SKDRFNHKSA-N	-1	0	310.354	0.745	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)CCCC1	ZINC001601058418	1159779554	/nfs/dbraw/zinc/77/95/54/1159779554.db2.gz	SJOLPUCPAOIMJH-LBPRGKRZSA-N	-1	0	304.343	0.899	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1	ZINC001601063487	1159780509	/nfs/dbraw/zinc/78/05/09/1159780509.db2.gz	WQJNJTYURDPAHW-UHFFFAOYSA-N	-1	0	314.294	0.173	20	30		DCEDRM
CN1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1=O	ZINC000125610222	523967900	/nfs/dbraw/zinc/96/79/00/523967900.db2.gz	UZHKSDBGMQMJFP-SNVBAGLBSA-N	-1	0	315.301	0.345	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000262926895	526791253	/nfs/dbraw/zinc/79/12/53/526791253.db2.gz	GQXZSRTYMOFJAV-LLVKDONJSA-N	-1	0	307.302	0.843	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)OC	ZINC000360737857	526791411	/nfs/dbraw/zinc/79/14/11/526791411.db2.gz	NNUCVZTXEKLGFX-SNVBAGLBSA-N	-1	0	324.289	0.774	20	30		DCEDRM
C=CCOc1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1OC	ZINC000262519467	526847100	/nfs/dbraw/zinc/84/71/00/526847100.db2.gz	NPBPINADEIZNJB-OAHLLOKOSA-N	-1	0	309.318	0.825	20	30		DCEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)C(=O)[O-])c1	ZINC000262510261	527057268	/nfs/dbraw/zinc/05/72/68/527057268.db2.gz	KBWGPJLJLIPECL-JTQLQIEISA-N	-1	0	324.358	0.049	20	30		DCEDRM
C=CCCS(=O)(=O)[N-]c1c(C(=O)OC)c[nH]c1C(=O)OC	ZINC000283790465	527418423	/nfs/dbraw/zinc/41/84/23/527418423.db2.gz	FPACPKDGLIFKBY-UHFFFAOYSA-N	-1	0	316.335	0.906	20	30		DCEDRM
C=CCC[C@H](NC(=O)CNC(=O)NCc1ccco1)C(=O)[O-]	ZINC000262787825	527475456	/nfs/dbraw/zinc/47/54/56/527475456.db2.gz	BOVJGCUXLPVIBV-NSHDSACASA-N	-1	0	309.322	0.614	20	30		DCEDRM
N#CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Br	ZINC000013252291	602153009	/nfs/dbraw/zinc/15/30/09/602153009.db2.gz	YZOAOOZZEZCMTE-UHFFFAOYSA-N	-1	0	319.136	0.949	20	30		DCEDRM
CC#CCN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1	ZINC000735449662	599129580	/nfs/dbraw/zinc/12/95/80/599129580.db2.gz	RWBQCUBWISYBDG-UHFFFAOYSA-N	-1	0	313.365	0.877	20	30		DCEDRM
N#CCCCS(=O)(=O)c1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC000740308788	597115864	/nfs/dbraw/zinc/11/58/64/597115864.db2.gz	PDYNTAGZRYLWCI-UHFFFAOYSA-N	-1	0	324.358	0.969	20	30		DCEDRM
C[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000737706353	597498956	/nfs/dbraw/zinc/49/89/56/597498956.db2.gz	NSBIAARDOFQFNI-SECBINFHSA-N	-1	0	311.315	0.489	20	30		DCEDRM
CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]2C1	ZINC000820702756	597603739	/nfs/dbraw/zinc/60/37/39/597603739.db2.gz	DHZPGZFRZLMWAT-MCYUEQNJSA-N	-1	0	310.350	0.786	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1nnnn1-c1ccccc1	ZINC000819873974	597621469	/nfs/dbraw/zinc/62/14/69/597621469.db2.gz	FTXBEZLTIVYNFW-AWEZNQCLSA-N	-1	0	315.289	0.710	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)O[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000819865061	597623053	/nfs/dbraw/zinc/62/30/53/597623053.db2.gz	GPCJPQRQICUILI-WRWORJQWSA-N	-1	0	322.239	0.697	20	30		DCEDRM
Cn1ncc2c1nc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])[nH]c2=O	ZINC000821314923	597625753	/nfs/dbraw/zinc/62/57/53/597625753.db2.gz	DBVDAPCRPDUTCE-CYBMUJFWSA-N	-1	0	319.277	0.117	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(Cc2cccnc2)CC1	ZINC000819822029	597629413	/nfs/dbraw/zinc/62/94/13/597629413.db2.gz	LLFHCFMLGWCFRZ-INIZCTEOSA-N	-1	0	316.361	0.730	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)COc1ccc(F)cc1	ZINC000819835467	597637640	/nfs/dbraw/zinc/63/76/40/597637640.db2.gz	VDYBHHXXLORANL-ABAIWWIYSA-N	-1	0	324.308	0.686	20	30		DCEDRM
CCOCCN1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H]1C	ZINC000820377829	597649012	/nfs/dbraw/zinc/64/90/12/597649012.db2.gz	KTDGRXSELBYXEL-IUODEOHRSA-N	-1	0	311.382	0.560	20	30		DCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H]1N1CCOCC1	ZINC000820246389	597651531	/nfs/dbraw/zinc/65/15/31/597651531.db2.gz	WPZJAVZIDKUFAL-JMSVASOKSA-N	-1	0	309.366	0.170	20	30		DCEDRM
Cn1ccnc1-c1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n[nH]1	ZINC000821305213	597659427	/nfs/dbraw/zinc/65/94/27/597659427.db2.gz	SDCRHAKQYNVDNI-ZDUSSCGKSA-N	-1	0	302.294	0.753	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCCCS1(=O)=O	ZINC000819833258	597765576	/nfs/dbraw/zinc/76/55/76/597765576.db2.gz	FQSVCTZWDXVQDO-CABZTGNLSA-N	-1	0	302.352	0.074	20	30		DCEDRM
Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1-n1cnnn1	ZINC000821088011	598224024	/nfs/dbraw/zinc/22/40/24/598224024.db2.gz	MOFYGHKTISMTNL-AWEZNQCLSA-N	-1	0	314.305	0.914	20	30		DCEDRM
COC(=O)c1c[nH]c(=O)c(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000820677253	598224321	/nfs/dbraw/zinc/22/43/21/598224321.db2.gz	BXDJMRJFIBRFML-ZDUSSCGKSA-N	-1	0	307.262	0.517	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCN(CC(F)(F)F)C1	ZINC000819833915	598224629	/nfs/dbraw/zinc/22/46/29/598224629.db2.gz	KGMCWUNNPWMHPY-SKDRFNHKSA-N	-1	0	321.299	0.991	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1	ZINC000819833914	598224638	/nfs/dbraw/zinc/22/46/38/598224638.db2.gz	KGMCWUNNPWMHPY-JOYOIKCWSA-N	-1	0	321.299	0.991	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC(=O)NCCc1ccccc1	ZINC000819833863	598225428	/nfs/dbraw/zinc/22/54/28/598225428.db2.gz	JOFWLOPLHJXCGU-MRXNPFEDSA-N	-1	0	317.345	0.466	20	30		DCEDRM
Cn1c2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2n(C)c1=O	ZINC000821269203	598225990	/nfs/dbraw/zinc/22/59/90/598225990.db2.gz	PQEOMIKWQWDTEV-HNNXBMFYSA-N	-1	0	316.317	0.820	20	30		DCEDRM
C=CCN(C(=O)CCCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000736108139	599748898	/nfs/dbraw/zinc/74/88/98/599748898.db2.gz	LGPSGQVZFILVOC-SNVBAGLBSA-N	-1	0	304.368	0.236	20	30		DCEDRM
N#CCCn1ncc2c1ncnc2N1CCO[C@@H](C(=O)[O-])C1	ZINC000738428859	599958968	/nfs/dbraw/zinc/95/89/68/599958968.db2.gz	WZCJGDPNPDSHRV-SNVBAGLBSA-N	-1	0	302.294	0.030	20	30		DCEDRM
C[C@H](CS(=O)(=O)CC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000736617816	600196277	/nfs/dbraw/zinc/19/62/77/600196277.db2.gz	XBRCCXWHGWYFBD-SECBINFHSA-N	-1	0	310.331	0.632	20	30		DCEDRM
Cc1ccccc1[C@@H](CC(=O)N(CC#N)CC(=O)[O-])NC(N)=O	ZINC000738757870	600400565	/nfs/dbraw/zinc/40/05/65/600400565.db2.gz	HVNFNTBYWHYPSG-GFCCVEGCSA-N	-1	0	318.333	0.531	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1	ZINC000739076615	600404783	/nfs/dbraw/zinc/40/47/83/600404783.db2.gz	AYGPOOLWNXMCHI-JTQLQIEISA-N	-1	0	319.292	0.615	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	ZINC000739076566	600405846	/nfs/dbraw/zinc/40/58/46/600405846.db2.gz	ZWAVDFFMFGYAOP-JTQLQIEISA-N	-1	0	319.292	0.615	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1csc(N2CCCC2=O)n1	ZINC000739078453	600406747	/nfs/dbraw/zinc/40/67/47/600406747.db2.gz	HGPZAKVMYVUXRP-UHFFFAOYSA-N	-1	0	322.346	0.249	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(CC(F)(F)F)C1	ZINC000739077872	600406891	/nfs/dbraw/zinc/40/68/91/600406891.db2.gz	VOXGAJZIZFTTKW-SECBINFHSA-N	-1	0	307.272	0.697	20	30		DCEDRM
N#CC1(NC(=O)c2cccc(OCC(=O)[O-])c2)CCOCC1	ZINC000739066478	600621704	/nfs/dbraw/zinc/62/17/04/600621704.db2.gz	MULZZNXVYARKCN-UHFFFAOYSA-N	-1	0	304.302	0.953	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000736088029	600656753	/nfs/dbraw/zinc/65/67/53/600656753.db2.gz	QJGJGJPWSXPUGI-UHFFFAOYSA-N	-1	0	306.343	0.806	20	30		DCEDRM
COc1cc(C#N)ccc1OCCN1CCO[C@H](C(=O)[O-])C1	ZINC000737844501	600713596	/nfs/dbraw/zinc/71/35/96/600713596.db2.gz	MMZJUMYVDVDYSC-AWEZNQCLSA-N	-1	0	306.318	0.731	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])s1	ZINC000737701483	600763584	/nfs/dbraw/zinc/76/35/84/600763584.db2.gz	ZLJLGAFDQUNFNQ-UHFFFAOYSA-N	-1	0	318.332	0.134	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccc2ncccc21	ZINC000739087010	600797413	/nfs/dbraw/zinc/79/74/13/600797413.db2.gz	SKSPQZVBAHKEJK-UHFFFAOYSA-N	-1	0	305.315	0.834	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000817675388	600897396	/nfs/dbraw/zinc/89/73/96/600897396.db2.gz	VOAHALXEGSPCTL-UHFFFAOYSA-N	-1	0	322.292	0.757	20	30		DCEDRM
CCCCC(=O)N1CSC[C@@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC000736974679	601019902	/nfs/dbraw/zinc/01/99/02/601019902.db2.gz	LMAKOGGMIDWZLA-SNVBAGLBSA-N	-1	0	313.379	0.515	20	30		DCEDRM
CC(=O)c1[nH]c(CC(=O)N2CCOC[C@H]2C#N)c(C(=O)[O-])c1C	ZINC000736179225	601095320	/nfs/dbraw/zinc/09/53/20/601095320.db2.gz	CECDDKLDLCWGMT-SNVBAGLBSA-N	-1	0	319.317	0.517	20	30		DCEDRM
Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1C(=O)[O-]	ZINC000832937087	601165101	/nfs/dbraw/zinc/16/51/01/601165101.db2.gz	AULZKDRRHFANBG-LLVKDONJSA-N	-1	0	317.301	0.383	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1ccc2c(c1)OCCO2	ZINC000833067173	601226353	/nfs/dbraw/zinc/22/63/53/601226353.db2.gz	QLHYQEBUGWXPPK-UHFFFAOYSA-N	-1	0	305.290	0.306	20	30		DCEDRM
C#CCN(C1CCCCC1)S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000688889653	601256873	/nfs/dbraw/zinc/25/68/73/601256873.db2.gz	RJIZKYDNXIVBCH-UHFFFAOYSA-N	-1	0	302.396	0.906	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000825632210	601289834	/nfs/dbraw/zinc/28/98/34/601289834.db2.gz	VFFXKRDFJXMFEE-UHFFFAOYSA-N	-1	0	318.264	0.766	20	30		DCEDRM
CS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000832687462	601310406	/nfs/dbraw/zinc/31/04/06/601310406.db2.gz	DKGKPINHHLJJBQ-CYBMUJFWSA-N	-1	0	323.374	0.261	20	30		DCEDRM
C#CCN1CCN(C(=O)COc2cc(C)sc2C(=O)[O-])CC1	ZINC000825620259	601389097	/nfs/dbraw/zinc/38/90/97/601389097.db2.gz	ZBPBJBAJHIFQLI-UHFFFAOYSA-N	-1	0	322.386	0.911	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000832910635	601482430	/nfs/dbraw/zinc/48/24/30/601482430.db2.gz	XIFRUUYIWXWNPR-HNNXBMFYSA-N	-1	0	319.292	0.830	20	30		DCEDRM
N#Cc1ccc(OC[C@H](O)CN2CCOC[C@H]2C(=O)[O-])cc1	ZINC000833071819	601561983	/nfs/dbraw/zinc/56/19/83/601561983.db2.gz	PKRFPUPHCDJLTP-OCCSQVGLSA-N	-1	0	306.318	0.083	20	30		DCEDRM
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCC(=O)[O-]	ZINC000828500662	601748194	/nfs/dbraw/zinc/74/81/94/601748194.db2.gz	WDYYHWWMRZAXGA-SNVBAGLBSA-N	-1	0	303.322	0.250	20	30		DCEDRM
C[C@H](CS(=O)(=O)NCc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000827563429	601787897	/nfs/dbraw/zinc/78/78/97/601787897.db2.gz	MTRYPAMDZVGWPJ-MRVPVSSYSA-N	-1	0	300.311	0.837	20	30		DCEDRM
C[C@H](Oc1ccc(C=NNCCS(C)(=O)=O)cc1)C(=O)[O-]	ZINC000794912707	602075690	/nfs/dbraw/zinc/07/56/90/602075690.db2.gz	LGHURIBTUOFUEY-JTQLQIEISA-N	-1	0	314.363	0.507	20	30		DCEDRM
O=C([O-])[C@@]1(F)CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC000833091973	602391776	/nfs/dbraw/zinc/39/17/76/602391776.db2.gz	IXLAQMLHAVQCPJ-OAHLLOKOSA-N	-1	0	305.261	0.792	20	30		DCEDRM
N#CCCN(C(=O)CNC(=O)[O-])c1ccc2c(c1)OCCO2	ZINC000739073633	602711782	/nfs/dbraw/zinc/71/17/82/602711782.db2.gz	XSTBIDZBGWNAQZ-UHFFFAOYSA-N	-1	0	305.290	0.972	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-]	ZINC000828272369	603136381	/nfs/dbraw/zinc/13/63/81/603136381.db2.gz	ANFLXISKCDPWBZ-WDEREUQCSA-N	-1	0	318.399	0.493	20	30		DCEDRM
CN(CCCNC(=O)[O-])c1ccc(S(N)(=O)=O)cc1C#N	ZINC000828302153	603191506	/nfs/dbraw/zinc/19/15/06/603191506.db2.gz	MQXOZQYBJBOTES-UHFFFAOYSA-N	-1	0	312.351	0.300	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c1N	ZINC000831161901	603436119	/nfs/dbraw/zinc/43/61/19/603436119.db2.gz	PMMVEOUPGSDMKH-KOLCDFICSA-N	-1	0	321.337	0.707	20	30		DCEDRM
CN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1cccc(C#N)c1	ZINC000828086261	603472455	/nfs/dbraw/zinc/47/24/55/603472455.db2.gz	REYUSJOCIMJQIV-LLVKDONJSA-N	-1	0	309.347	0.931	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)C(=O)CC1CN(C(=O)[O-])C1	ZINC000831097755	603569194	/nfs/dbraw/zinc/56/91/94/603569194.db2.gz	SQFIWDJQUFKIFF-UHFFFAOYSA-N	-1	0	324.381	0.061	20	30		DCEDRM
CC(=O)Nc1nc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cs1	ZINC000823622048	603603258	/nfs/dbraw/zinc/60/32/58/603603258.db2.gz	DLUGOMRGTXQVCC-QMMMGPOBSA-N	-1	0	323.334	0.429	20	30		DCEDRM
CN(C[C@@H]1CCCN1C(=O)NC1CCN(CC#N)CC1)C(=O)[O-]	ZINC000828199639	603774901	/nfs/dbraw/zinc/77/49/01/603774901.db2.gz	QDYGOEMSYTZQAM-ZDUSSCGKSA-N	-1	0	323.397	0.758	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000823467468	603800291	/nfs/dbraw/zinc/80/02/91/603800291.db2.gz	XFMJJCYGFQSBAK-CHWSQXEVSA-N	-1	0	318.329	0.428	20	30		DCEDRM
COC(=O)CN(CC#N)Cc1nc(C(C)(C)NC(=O)[O-])no1	ZINC000828683352	603907802	/nfs/dbraw/zinc/90/78/02/603907802.db2.gz	IRBLXXFUKIRNMX-UHFFFAOYSA-N	-1	0	311.298	0.071	20	30		DCEDRM
CCC(CC)CS(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826571171	603916055	/nfs/dbraw/zinc/91/60/55/603916055.db2.gz	CNIFLLZFJBDPHS-NSHDSACASA-N	-1	0	303.384	0.940	20	30		DCEDRM
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830914115	603918561	/nfs/dbraw/zinc/91/85/61/603918561.db2.gz	MNZPYPFHFOUMMH-VIFPVBQESA-N	-1	0	314.323	0.168	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000827111441	603939050	/nfs/dbraw/zinc/93/90/50/603939050.db2.gz	NLHKUHXLXBDWMD-LLVKDONJSA-N	-1	0	311.338	0.824	20	30		DCEDRM
C[C@]1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN(C(=O)[O-])C1	ZINC000825657718	603939270	/nfs/dbraw/zinc/93/92/70/603939270.db2.gz	VVAHHIGOVZFWFB-WFASDCNBSA-N	-1	0	306.366	0.575	20	30		DCEDRM
CN(C(=O)COC(=O)C[C@@H]1CCCN1C(=O)[O-])C(C)(C)C#N	ZINC000827773915	603940570	/nfs/dbraw/zinc/94/05/70/603940570.db2.gz	DUAPOUMMHQVPMB-JTQLQIEISA-N	-1	0	311.338	0.823	20	30		DCEDRM
C[C@]1(C(=O)NC[C@H]2CCCN(CC#N)C2)CCN(C(=O)[O-])C1	ZINC000825662778	604065233	/nfs/dbraw/zinc/06/52/33/604065233.db2.gz	HTPISSPFYUMERP-DOMZBBRYSA-N	-1	0	308.382	0.728	20	30		DCEDRM
C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825464710	604065285	/nfs/dbraw/zinc/06/52/85/604065285.db2.gz	FPAFKRPHSJIHCO-VHSXEESVSA-N	-1	0	320.305	0.112	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000831087310	604066695	/nfs/dbraw/zinc/06/66/95/604066695.db2.gz	JYIALHZNUXGGCG-VIFPVBQESA-N	-1	0	319.277	0.505	20	30		DCEDRM
CC(C)CCn1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)nn1	ZINC000824244197	604070537	/nfs/dbraw/zinc/07/05/37/604070537.db2.gz	FARIUDJIPGPYMD-LLVKDONJSA-N	-1	0	320.353	0.652	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cn1cnc2ccccc21	ZINC000831086588	604073643	/nfs/dbraw/zinc/07/36/43/604073643.db2.gz	FTBIPWXGSJCRFV-LLVKDONJSA-N	-1	0	313.317	0.751	20	30		DCEDRM
CC(C)c1nnc(CCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)o1	ZINC000824503915	604079309	/nfs/dbraw/zinc/07/93/09/604079309.db2.gz	RWIPZCQRTIEYSI-SNVBAGLBSA-N	-1	0	321.337	0.840	20	30		DCEDRM
C=CCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000823501419	604111915	/nfs/dbraw/zinc/11/19/15/604111915.db2.gz	WZROBHBKKYVCBH-WDEREUQCSA-N	-1	0	318.395	0.434	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCNC(=O)[O-]	ZINC000823463377	604123327	/nfs/dbraw/zinc/12/33/27/604123327.db2.gz	ODYAKOLZPUQXTE-UHFFFAOYSA-N	-1	0	323.280	0.160	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000823510723	604385085	/nfs/dbraw/zinc/38/50/85/604385085.db2.gz	HYSGOAWWFFNVHU-IUCAKERBSA-N	-1	0	315.326	0.222	20	30		DCEDRM
N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000831066287	604388132	/nfs/dbraw/zinc/38/81/32/604388132.db2.gz	VXNUYEWPBODUMF-VHSXEESVSA-N	-1	0	318.289	0.108	20	30		DCEDRM
Cn1ncc2c1nc(NN=Cc1c[nH]c(C(=O)[O-])c1)[nH]c2=O	ZINC000814848112	604397652	/nfs/dbraw/zinc/39/76/52/604397652.db2.gz	OFASYHUVYSILMI-UHFFFAOYSA-N	-1	0	301.266	0.541	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)c2cccc(C)c2C(=O)[O-])CC1	ZINC000833365868	604465060	/nfs/dbraw/zinc/46/50/60/604465060.db2.gz	VIFHVHZJZAYTSM-UHFFFAOYSA-N	-1	0	322.386	0.633	20	30		DCEDRM
CN(C(=O)CN[C@@]1(C(=O)[O-])CCOC1)C1(C#N)CCCCC1	ZINC000833686440	604488518	/nfs/dbraw/zinc/48/85/18/604488518.db2.gz	WCSXBKUZCCXJBC-HNNXBMFYSA-N	-1	0	309.366	0.505	20	30		DCEDRM
C#CCOCCC(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1	ZINC000833366050	604587261	/nfs/dbraw/zinc/58/72/61/604587261.db2.gz	CYCUPNNDRYFLMB-UHFFFAOYSA-N	-1	0	311.334	0.473	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823500678	604615110	/nfs/dbraw/zinc/61/51/10/604615110.db2.gz	JYDWFPQOJXFEIL-OLZOCXBDSA-N	-1	0	311.382	0.544	20	30		DCEDRM
N#CCOc1cccc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831109706	604719462	/nfs/dbraw/zinc/71/94/62/604719462.db2.gz	RASJDFAOWGDIAO-GFCCVEGCSA-N	-1	0	305.290	0.906	20	30		DCEDRM
N#Cc1ccc(CNC(=O)COC(=O)C2(NC(=O)[O-])CC2)cc1	ZINC000831126534	604763719	/nfs/dbraw/zinc/76/37/19/604763719.db2.gz	IZVDESTXMZLJBN-UHFFFAOYSA-N	-1	0	317.301	0.518	20	30		DCEDRM
C=CCCS(=O)(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823501464	604765004	/nfs/dbraw/zinc/76/50/04/604765004.db2.gz	XHMTUOZPYWIOPV-VHSXEESVSA-N	-1	0	306.384	0.985	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CC1CCCC1	ZINC000831092309	604768681	/nfs/dbraw/zinc/76/86/81/604768681.db2.gz	SKXJWRACHFOFAR-NSHDSACASA-N	-1	0	301.368	0.694	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000827461199	604865661	/nfs/dbraw/zinc/86/56/61/604865661.db2.gz	PZFACEWBBGSVIV-SSDOTTSWSA-N	-1	0	309.709	0.987	20	30		DCEDRM
C#CCNS(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC	ZINC000833364455	605013746	/nfs/dbraw/zinc/01/37/46/605013746.db2.gz	RGRPPSNSYFQCMQ-UHFFFAOYSA-N	-1	0	303.317	0.144	20	30		DCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)[O-]	ZINC000833365156	605027458	/nfs/dbraw/zinc/02/74/58/605027458.db2.gz	KZFKTDLVOJNQBQ-UHFFFAOYSA-N	-1	0	311.315	0.473	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000833369854	605059756	/nfs/dbraw/zinc/05/97/56/605059756.db2.gz	GNBWUSJTSSKBQB-LBPRGKRZSA-N	-1	0	313.375	0.989	20	30		DCEDRM
COc1cccc(C#CCOC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000829531003	605083179	/nfs/dbraw/zinc/08/31/79/605083179.db2.gz	FBASOPFLUUDIIF-CQSZACIVSA-N	-1	0	319.313	0.969	20	30		DCEDRM
COc1cc(C#N)ccc1OCCn1nnnc1CNC(=O)[O-]	ZINC000829077316	605177563	/nfs/dbraw/zinc/17/75/63/605177563.db2.gz	QTCNXBPITQQFLQ-UHFFFAOYSA-N	-1	0	318.293	0.400	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000833378143	605269648	/nfs/dbraw/zinc/26/96/48/605269648.db2.gz	KJEAJTLTWZPUMJ-JTQLQIEISA-N	-1	0	319.383	0.029	20	30		DCEDRM
N#Cc1ccc(COC(=O)[C@@H](CC(N)=O)NC(=O)[O-])c(F)c1	ZINC000833972025	605417301	/nfs/dbraw/zinc/41/73/01/605417301.db2.gz	RRLCJQAIORKRKI-SNVBAGLBSA-N	-1	0	309.253	0.252	20	30		DCEDRM
N#CCc1ccc(C(=O)NCCN2CCN(C(=O)[O-])CC2)cc1	ZINC000833967950	605418772	/nfs/dbraw/zinc/41/87/72/605418772.db2.gz	OIBRBKGYHVDCGU-UHFFFAOYSA-N	-1	0	316.361	0.778	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CCNC(=O)[O-]	ZINC000833902408	605422247	/nfs/dbraw/zinc/42/22/47/605422247.db2.gz	XCHMHSWNJRVMIF-SNVBAGLBSA-N	-1	0	318.333	0.968	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000833366040	605497949	/nfs/dbraw/zinc/49/79/49/605497949.db2.gz	CJMFKPKDSFOLAT-UHFFFAOYSA-N	-1	0	324.720	0.743	20	30		DCEDRM
N#CCCN1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1	ZINC000833965899	605517512	/nfs/dbraw/zinc/51/75/12/605517512.db2.gz	UTLHCSNWBQVMGU-CHWSQXEVSA-N	-1	0	308.382	0.871	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000833976216	605636576	/nfs/dbraw/zinc/63/65/76/605636576.db2.gz	KDNWMUPIGREFKO-NSHDSACASA-N	-1	0	316.317	0.613	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833373862	605649700	/nfs/dbraw/zinc/64/97/00/605649700.db2.gz	GXIXASIKYULDJW-GRYCIOLGSA-N	-1	0	313.350	0.832	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CSCC#N	ZINC000833708265	605650514	/nfs/dbraw/zinc/65/05/14/605650514.db2.gz	PQLTWLNWNGOEGA-RKDXNWHRSA-N	-1	0	300.336	0.108	20	30		DCEDRM
N#CCn1cc(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)cn1	ZINC000831109252	605677791	/nfs/dbraw/zinc/67/77/91/605677791.db2.gz	DHCGCNSNDIOJST-NSHDSACASA-N	-1	0	307.310	0.504	20	30		DCEDRM
N#Cc1ncn(CC(=O)N(C2CC2)C2CCN(C(=O)[O-])CC2)n1	ZINC000831162212	605684038	/nfs/dbraw/zinc/68/40/38/605684038.db2.gz	XNHBHBGKDSCNCF-UHFFFAOYSA-N	-1	0	318.337	0.283	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000833968665	605685236	/nfs/dbraw/zinc/68/52/36/605685236.db2.gz	XELRCSQZMBRUSR-RTXFEEFZSA-N	-1	0	320.305	0.720	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NCCS(=O)(=O)c1ccccc1	ZINC000833966288	605685541	/nfs/dbraw/zinc/68/55/41/605685541.db2.gz	JGYJOSIXTZPEAB-YPMHNXCESA-N	-1	0	323.374	0.552	20	30		DCEDRM
NC(=O)CON=C1C[C@]2(CCN(C(=O)[O-])C2)Oc2ccccc21	ZINC000833984647	605754563	/nfs/dbraw/zinc/75/45/63/605754563.db2.gz	HTAMCWYOORQMJV-HNNXBMFYSA-N	-1	0	319.317	0.798	20	30		DCEDRM
CCN(CC1CCN(C(=O)Cn2cnc(C#N)n2)CC1)C(=O)[O-]	ZINC000827065157	605760218	/nfs/dbraw/zinc/76/02/18/605760218.db2.gz	BPLIRAFJUMAVKE-UHFFFAOYSA-N	-1	0	320.353	0.388	20	30		DCEDRM
C=CCN(CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)C1CC1	ZINC000833788291	605762481	/nfs/dbraw/zinc/76/24/81/605762481.db2.gz	UDSPQPGLNDVOMU-UHFFFAOYSA-N	-1	0	322.365	0.659	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)cc1	ZINC000833973318	605767775	/nfs/dbraw/zinc/76/77/75/605767775.db2.gz	NBVAEYMCTIHKJZ-STQMWFEESA-N	-1	0	318.285	0.456	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCCN(C(=O)[O-])CC2)cc1	ZINC000833973783	605833648	/nfs/dbraw/zinc/83/36/48/605833648.db2.gz	QWSSMRUIGQMTNA-ZDUSSCGKSA-N	-1	0	303.318	0.804	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)[C@@H](NC(=O)[O-])C(C)(C)C	ZINC000823510711	605890330	/nfs/dbraw/zinc/89/03/30/605890330.db2.gz	HWYDPWGANHXEBP-SECBINFHSA-N	-1	0	315.326	0.224	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@H](NC(=O)[O-])C1	ZINC000831118290	605907471	/nfs/dbraw/zinc/90/74/71/605907471.db2.gz	SWUCSIXHGUHMBW-VIFPVBQESA-N	-1	0	310.335	0.052	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)NC1CN(C(=O)[O-])C1	ZINC000833973708	605940614	/nfs/dbraw/zinc/94/06/14/605940614.db2.gz	CHJIAJNGWUHBSZ-UHFFFAOYSA-N	-1	0	306.253	0.114	20	30		DCEDRM
N#C[C@@H]1CSCCN1C(=O)c1csc(CNC(=O)[O-])n1	ZINC000833968645	605973326	/nfs/dbraw/zinc/97/33/26/605973326.db2.gz	WYXZJANGJMJUPV-SSDOTTSWSA-N	-1	0	312.376	0.992	20	30		DCEDRM
O=C([O-])N[C@H]1CCCCCC1N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000834183288	606080195	/nfs/dbraw/zinc/08/01/95/606080195.db2.gz	KZLKDCHKQRINGB-QMMMGPOBSA-N	-1	0	319.325	0.800	20	30		DCEDRM
C=C(Cl)CN1CC[C@@H]1CNC(=O)c1c[n-]n2c1nccc2=O	ZINC001038779163	660686946	/nfs/dbraw/zinc/68/69/46/660686946.db2.gz	RWZPXFAWHFHXRC-SNVBAGLBSA-N	-1	0	321.768	0.579	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CC[C@@H]3CN(CC#N)C[C@@H]3C2)c1[O-]	ZINC000979663328	660797325	/nfs/dbraw/zinc/79/73/25/660797325.db2.gz	ZPAHQUPNGGZXFT-GRYCIOLGSA-N	-1	0	303.366	0.778	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H]3CN(CC#N)C[C@@H]3C2)c1[O-]	ZINC000979663333	660797326	/nfs/dbraw/zinc/79/73/26/660797326.db2.gz	ZPAHQUPNGGZXFT-SDDRHHMPSA-N	-1	0	303.366	0.778	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1	ZINC000180179494	665424310	/nfs/dbraw/zinc/42/43/10/665424310.db2.gz	XGFGSVJINXCCEN-SNVBAGLBSA-N	-1	0	315.395	0.998	20	30		DCEDRM
Cn1cc(/C=C\C(=O)c2ccc(O)cc2[O-])c(=O)n(C)c1=O	ZINC000255385256	657632231	/nfs/dbraw/zinc/63/22/31/657632231.db2.gz	FVBDUUXHTLBUDW-UTCJRWHESA-N	-1	0	302.286	0.391	20	30		DCEDRM
C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001021566409	658032937	/nfs/dbraw/zinc/03/29/37/658032937.db2.gz	JFBNOHXJNINPCD-OLZOCXBDSA-N	-1	0	302.378	0.983	20	30		DCEDRM
CNC(=O)c1ccc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)cc1	ZINC000255643340	658439430	/nfs/dbraw/zinc/43/94/30/658439430.db2.gz	ZRWGSLLRSWZRIG-YVMONPNESA-N	-1	0	313.313	0.742	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)C1(COC)CC1)OCC	ZINC000811152996	658619749	/nfs/dbraw/zinc/61/97/49/658619749.db2.gz	UBHWPWMZYFMRPS-NSHDSACASA-N	-1	0	305.396	0.983	20	30		DCEDRM
Cn1c2cccc(C(=O)[N-]S(=O)(=O)CCCC#N)c2oc1=O	ZINC000181278417	659029024	/nfs/dbraw/zinc/02/90/24/659029024.db2.gz	PBJKGZQPMMYSFU-UHFFFAOYSA-N	-1	0	323.330	0.495	20	30		DCEDRM
CCn1nccc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000122503862	659567202	/nfs/dbraw/zinc/56/72/02/659567202.db2.gz	IOTQBROJMXLACY-UHFFFAOYSA-N	-1	0	304.331	0.893	20	30		DCEDRM
COC(=O)c1ccc(O)c(C=Nn2c(=O)c(C)n[n-]c2=S)c1	ZINC000726736446	661665198	/nfs/dbraw/zinc/66/51/98/661665198.db2.gz	KBPIOWAXVINYDS-UHFFFAOYSA-N	-1	0	320.330	0.610	20	30		DCEDRM
C#Cc1ccc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)nc1	ZINC000728861757	662492885	/nfs/dbraw/zinc/49/28/85/662492885.db2.gz	NWJFAJXANPDRHZ-UHFFFAOYSA-N	-1	0	323.359	0.538	20	30		DCEDRM
COCC[C@H](C)S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899925444	663201063	/nfs/dbraw/zinc/20/10/63/663201063.db2.gz	DGAZFCZJTCCMFH-RYUDHWBXSA-N	-1	0	303.380	0.541	20	30		DCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)CC[C@H]2CCOC2)C1	ZINC000899926911	663201075	/nfs/dbraw/zinc/20/10/75/663201075.db2.gz	PSFGNMMGNWBJRS-CHWSQXEVSA-N	-1	0	315.391	0.543	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)cn1	ZINC000902628114	663423361	/nfs/dbraw/zinc/42/33/61/663423361.db2.gz	OSRUEOGDEBZRCX-ZIAGYGMSSA-N	-1	0	314.345	0.713	20	30		DCEDRM
N#Cc1c([N-]S(=O)(=O)CC2(F)CC2)nc2n1CCOC2	ZINC000903691286	663473916	/nfs/dbraw/zinc/47/39/16/663473916.db2.gz	NWHDNZIQDCTDAH-UHFFFAOYSA-N	-1	0	300.315	0.529	20	30		DCEDRM
C=C(C)CN1CC(N2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)C1	ZINC000941380578	665986564	/nfs/dbraw/zinc/98/65/64/665986564.db2.gz	NIJUALWXCOARTI-UHFFFAOYSA-N	-1	0	319.409	0.442	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)[N-]N2C(=O)N[C@](C)(CC)C2=O)cc1	ZINC000907154810	663674095	/nfs/dbraw/zinc/67/40/95/663674095.db2.gz	GFPSOSBWKCAQME-CQSZACIVSA-N	-1	0	321.358	0.582	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)NC[C@@H](C)CN1CCOCC1)C(=O)[O-]	ZINC000908914773	663773983	/nfs/dbraw/zinc/77/39/83/663773983.db2.gz	ZISFBRLDWOPZHK-OLZOCXBDSA-N	-1	0	313.398	0.673	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCN(c2ccccn2)C1	ZINC000909085400	663780636	/nfs/dbraw/zinc/78/06/36/663780636.db2.gz	BWLZVQXHDLZJCU-GFCCVEGCSA-N	-1	0	304.350	0.943	20	30		DCEDRM
C=CCCOCCNC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000909118107	663781634	/nfs/dbraw/zinc/78/16/34/663781634.db2.gz	WYJWKXKNRQKROI-NWDGAFQWSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000909245340	663787841	/nfs/dbraw/zinc/78/78/41/663787841.db2.gz	CNTSMUWGGCMARM-LOWDOPEQSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000909237817	663788707	/nfs/dbraw/zinc/78/87/07/663788707.db2.gz	LJSQZVJBEFXTDI-RWMBFGLXSA-N	-1	0	312.366	0.757	20	30		DCEDRM
N#C[C@@H](CO)[N-]C(=O)C(F)(F)c1ncccc1Br	ZINC000909306510	663793774	/nfs/dbraw/zinc/79/37/74/663793774.db2.gz	SWVAIJYMONMOHY-LURJTMIESA-N	-1	0	320.093	0.937	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c2c(nn1C)CCCC2)C(=O)[O-]	ZINC000909765860	663799955	/nfs/dbraw/zinc/79/99/55/663799955.db2.gz	GOZVACBPOGMXPN-LBPRGKRZSA-N	-1	0	307.350	0.685	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)C(=O)[O-]	ZINC000910052793	663837322	/nfs/dbraw/zinc/83/73/22/663837322.db2.gz	JAQIJENOQTWJMV-NEPJUHHUSA-N	-1	0	318.329	0.867	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-]	ZINC000910052314	663837359	/nfs/dbraw/zinc/83/73/59/663837359.db2.gz	TZWLNAYVBFUPKM-CABCVRRESA-N	-1	0	316.357	0.480	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(OC)c2c(c1)OCCO2)C(=O)[O-]	ZINC000910052903	663837425	/nfs/dbraw/zinc/83/74/25/663837425.db2.gz	JVWUMALSCMJUNU-SNVBAGLBSA-N	-1	0	305.286	0.673	20	30		DCEDRM
C=C[C@@](C)(O)C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F	ZINC000910351777	663876692	/nfs/dbraw/zinc/87/66/92/663876692.db2.gz	PRJOBXHCPTXHRM-HZGVNTEJSA-N	-1	0	301.286	0.788	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](c2cc(=O)[nH][nH]2)C1	ZINC000911850879	664117029	/nfs/dbraw/zinc/11/70/29/664117029.db2.gz	ARVOQEVGZOMPNT-YPMHNXCESA-N	-1	0	306.366	0.902	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC=CC23CCCCC3)c(=O)[n-]c1=O	ZINC000912479417	664180234	/nfs/dbraw/zinc/18/02/34/664180234.db2.gz	PGEWKQGJVSOHCP-UHFFFAOYSA-N	-1	0	314.345	0.922	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1	ZINC000166475051	664456093	/nfs/dbraw/zinc/45/60/93/664456093.db2.gz	SAAAPIWWFGPTEK-UHFFFAOYSA-N	-1	0	302.739	0.580	20	30		DCEDRM
O=C([O-])C(F)(F)Oc1ccc(C=NN2CC(=O)NC2=O)cc1	ZINC000730728355	664803204	/nfs/dbraw/zinc/80/32/04/664803204.db2.gz	SIFWZUBDBQFFNH-UHFFFAOYSA-N	-1	0	313.216	0.629	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C(C)=O)cn1C	ZINC000916871007	665098073	/nfs/dbraw/zinc/09/80/73/665098073.db2.gz	PRRRNZOLARUHPD-LBPRGKRZSA-N	-1	0	305.334	0.703	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2c(c1)C(=O)N(C)C2=O	ZINC000916945379	665103932	/nfs/dbraw/zinc/10/39/32/665103932.db2.gz	QXCTUDANMDOFMB-LBPRGKRZSA-N	-1	0	313.313	0.759	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1	ZINC000917426133	665132339	/nfs/dbraw/zinc/13/23/39/665132339.db2.gz	HXFANGYYDQZFGV-GFCCVEGCSA-N	-1	0	314.345	0.875	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)n(C)n1	ZINC000917515733	665135427	/nfs/dbraw/zinc/13/54/27/665135427.db2.gz	GFDLYGGXDSLUPY-UHFFFAOYSA-N	-1	0	318.358	0.860	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(OCC(=O)OC)c1	ZINC000918487099	665171823	/nfs/dbraw/zinc/17/18/23/665171823.db2.gz	PRDALFOWXLLENS-ZDUSSCGKSA-N	-1	0	316.313	0.863	20	30		DCEDRM
C=C1CC(C)(C(=O)N2CC(CNC(=O)c3[nH]nc(C)c3[O-])C2)C1	ZINC001001460297	666054144	/nfs/dbraw/zinc/05/41/44/666054144.db2.gz	ZQJNQXIZKCBDEQ-UHFFFAOYSA-N	-1	0	318.377	0.968	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC000943186577	666258100	/nfs/dbraw/zinc/25/81/00/666258100.db2.gz	ALDXUKHJTLDDRQ-GXSJLCMTSA-N	-1	0	319.365	0.694	20	30		DCEDRM
CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001033024471	666435107	/nfs/dbraw/zinc/43/51/07/666435107.db2.gz	XCCBNMGSRFLRMA-NSHDSACASA-N	-1	0	315.337	0.057	20	30		DCEDRM
CN(C(=O)c1cc(=O)[nH]c(C2CC2)n1)[C@H]1CCN(CC#N)C1	ZINC001033172348	666587334	/nfs/dbraw/zinc/58/73/34/666587334.db2.gz	QLUOKDXTQAIBEF-NSHDSACASA-N	-1	0	301.350	0.729	20	30		DCEDRM
C#CCO[N-]C(=O)CNC(=O)c1cccc(Br)c1	ZINC000700573946	666733978	/nfs/dbraw/zinc/73/39/78/666733978.db2.gz	JMNUXJQDVXBAQH-UHFFFAOYSA-N	-1	0	311.135	0.860	20	30		DCEDRM
N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000733720999	666807973	/nfs/dbraw/zinc/80/79/73/666807973.db2.gz	FYILVZWCPPYRBJ-CFHLNLSMSA-N	-1	0	306.343	0.806	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2cc(=O)[nH][n-]2)CCN1Cc1ccccc1	ZINC000734026481	666836952	/nfs/dbraw/zinc/83/69/52/666836952.db2.gz	STUIPHTTZVEYDR-CYBMUJFWSA-N	-1	0	311.345	0.099	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1	ZINC000861164165	666906987	/nfs/dbraw/zinc/90/69/87/666906987.db2.gz	XFIMLKJNCZWEBN-UHFFFAOYSA-N	-1	0	303.290	0.754	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000861326050	666918033	/nfs/dbraw/zinc/91/80/33/666918033.db2.gz	CWDUPZWDBFJITC-QMMMGPOBSA-N	-1	0	316.339	0.736	20	30		DCEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000735056928	666945132	/nfs/dbraw/zinc/94/51/32/666945132.db2.gz	ADTBWGVKJMKONJ-BONVTDFDSA-N	-1	0	314.349	0.660	20	30		DCEDRM
CCCCCCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000861724466	666966977	/nfs/dbraw/zinc/96/69/77/666966977.db2.gz	PIXVLTSMDYRCBT-LLVKDONJSA-N	-1	0	300.355	0.385	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(C(=O)NCCC)c1	ZINC000788070936	666991244	/nfs/dbraw/zinc/99/12/44/666991244.db2.gz	NCQMTOJVPPRAGG-UHFFFAOYSA-N	-1	0	322.386	0.909	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C	ZINC000862133218	667021621	/nfs/dbraw/zinc/02/16/21/667021621.db2.gz	VDEIPIIWEWACBT-WXHSDQCUSA-N	-1	0	322.365	0.331	20	30		DCEDRM
CC1(NC(=S)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CC1	ZINC000863209867	667117697	/nfs/dbraw/zinc/11/76/97/667117697.db2.gz	QUVXKWFMBXOZCU-UHFFFAOYSA-N	-1	0	305.363	0.104	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-]	ZINC000863421476	667142546	/nfs/dbraw/zinc/14/25/46/667142546.db2.gz	YKFCMBKDZARRCQ-JTQLQIEISA-N	-1	0	320.754	0.964	20	30		DCEDRM
C[C@]1(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCCCO1	ZINC000863934435	667194936	/nfs/dbraw/zinc/19/49/36/667194936.db2.gz	JJGYZNLHOYVOPX-OAHLLOKOSA-N	-1	0	318.333	0.163	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)c1ccn(CCOC)n1)C(=O)[O-]	ZINC000864185845	667222724	/nfs/dbraw/zinc/22/27/24/667222724.db2.gz	DDGGALNXYFFORB-JTQLQIEISA-N	-1	0	301.730	0.855	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC000864183732	667222995	/nfs/dbraw/zinc/22/29/95/667222995.db2.gz	UNZICRZBSYLYPC-SCZZXKLOSA-N	-1	0	300.742	0.709	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cnn(C2CCCC2)c1	ZINC000864439487	667254536	/nfs/dbraw/zinc/25/45/36/667254536.db2.gz	VESXJXNJPJQRCT-UHFFFAOYSA-N	-1	0	311.363	0.707	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(-n2cccn2)n1	ZINC000737317597	667594311	/nfs/dbraw/zinc/59/43/11/667594311.db2.gz	ZMVICYWBFNMIQI-LLVKDONJSA-N	-1	0	313.317	0.352	20	30		DCEDRM
C=C[C@H](CC(=O)[N-]S(=O)(=O)CC(=O)OC)c1ccccc1	ZINC000838802461	667708394	/nfs/dbraw/zinc/70/83/94/667708394.db2.gz	SWZNPHODCZBJMS-LLVKDONJSA-N	-1	0	311.359	0.965	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCOC2CCOCC2)CC1	ZINC000870834427	667764845	/nfs/dbraw/zinc/76/48/45/667764845.db2.gz	ZQPQCBRWHALRER-UHFFFAOYSA-N	-1	0	303.380	0.737	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C2CCCC2)CC1	ZINC000870831747	667764967	/nfs/dbraw/zinc/76/49/67/667764967.db2.gz	DGHJXUPFFPVDPR-JTQLQIEISA-N	-1	0	314.407	0.846	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCOCCOCC)CC1	ZINC000870838603	667765498	/nfs/dbraw/zinc/76/54/98/667765498.db2.gz	GWXHRDPKQCVURB-UHFFFAOYSA-N	-1	0	305.396	0.984	20	30		DCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)c2cc(C#N)ccc2C)nnn1C	ZINC000744143876	667821261	/nfs/dbraw/zinc/82/12/61/667821261.db2.gz	HOLVGRKQEHXPIA-UHFFFAOYSA-N	-1	0	319.346	0.422	20	30		DCEDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC#N)c2)cc1	ZINC000747406817	667902070	/nfs/dbraw/zinc/90/20/70/667902070.db2.gz	LUFQLSDXHXWNOP-UHFFFAOYSA-N	-1	0	319.346	0.567	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)c1ccncc1	ZINC000751583892	668004983	/nfs/dbraw/zinc/00/49/83/668004983.db2.gz	WMOGQGQMENULSG-GFCCVEGCSA-N	-1	0	300.318	0.928	20	30		DCEDRM
COC[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(N)=O	ZINC000759036344	668204924	/nfs/dbraw/zinc/20/49/24/668204924.db2.gz	OMLCGOBNSSRYDP-AVLNIGHMSA-N	-1	0	301.686	0.873	20	30		DCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000761104360	668305872	/nfs/dbraw/zinc/30/58/72/668305872.db2.gz	MAFPGLPODSKIFZ-UHFFFAOYSA-N	-1	0	309.391	0.996	20	30		DCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000926284497	668390294	/nfs/dbraw/zinc/39/02/94/668390294.db2.gz	MDRWSRXNNXPFSI-QWHCGFSZSA-N	-1	0	308.378	0.980	20	30		DCEDRM
Cn1c(Cl)ncc1S(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000765090889	668475392	/nfs/dbraw/zinc/47/53/92/668475392.db2.gz	ZRTXCYDSRNFZBK-UHFFFAOYSA-N	-1	0	314.758	0.984	20	30		DCEDRM
CC1(C)CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1C#N	ZINC000765123143	668477077	/nfs/dbraw/zinc/47/70/77/668477077.db2.gz	VUMVAZGPYPTITP-NSHDSACASA-N	-1	0	314.349	0.612	20	30		DCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000765641331	668503357	/nfs/dbraw/zinc/50/33/57/668503357.db2.gz	JVHYAQOKXHKPOF-UHFFFAOYSA-N	-1	0	320.330	0.176	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)NC[C@@H](CC)C(=O)[O-])c1	ZINC000927951322	668537598	/nfs/dbraw/zinc/53/75/98/668537598.db2.gz	UZRXBPUWKALFDZ-CYBMUJFWSA-N	-1	0	302.330	0.511	20	30		DCEDRM
CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000766988021	668556079	/nfs/dbraw/zinc/55/60/79/668556079.db2.gz	GXPAVPRSJYHECC-QWRGUYRKSA-N	-1	0	324.358	0.797	20	30		DCEDRM
CC(C)n1cnc(S(=O)(=O)[N-]C(=O)CSCC#N)c1	ZINC000767499077	668575779	/nfs/dbraw/zinc/57/57/79/668575779.db2.gz	OVVKAOKACMLRSZ-UHFFFAOYSA-N	-1	0	302.381	0.526	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(OC(F)F)n(C)n1	ZINC000767961696	668594076	/nfs/dbraw/zinc/59/40/76/668594076.db2.gz	ZBCUTKOXQGHBEF-SSDOTTSWSA-N	-1	0	316.264	0.107	20	30		DCEDRM
COCCOCCS(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000768209871	668602078	/nfs/dbraw/zinc/60/20/78/668602078.db2.gz	LDGFVJNYZBGALK-UHFFFAOYSA-N	-1	0	318.376	0.342	20	30		DCEDRM
C[C@@H](Oc1cccc(C=NN2CC(=O)N(C)C2=O)c1)C(=O)[O-]	ZINC000768382648	668606644	/nfs/dbraw/zinc/60/66/44/668606644.db2.gz	SKESUHNKOCSOFA-SECBINFHSA-N	-1	0	305.290	0.766	20	30		DCEDRM
COc1cc([N+](=O)[O-])ccc1N=NCc1cn(CC(=O)[O-])nn1	ZINC000768485047	668611909	/nfs/dbraw/zinc/61/19/09/668611909.db2.gz	ZRQIPAXKANGOGD-UHFFFAOYSA-N	-1	0	320.265	0.726	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](COC)C1CCOCC1	ZINC000929040924	668646125	/nfs/dbraw/zinc/64/61/25/668646125.db2.gz	CNSPMFIZEZKLSP-LBPRGKRZSA-N	-1	0	300.355	0.710	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCO1	ZINC000771055856	668728628	/nfs/dbraw/zinc/72/86/28/668728628.db2.gz	HGGZLSANNGWMPD-QWRGUYRKSA-N	-1	0	300.380	0.941	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COC[C@@H]2CCCO2)CCC1	ZINC000771075160	668730034	/nfs/dbraw/zinc/73/00/34/668730034.db2.gz	GXANOBVIHIYWIG-NSHDSACASA-N	-1	0	316.379	0.322	20	30		DCEDRM
CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771075820	668730131	/nfs/dbraw/zinc/73/01/31/668730131.db2.gz	AMPAHSMFIKBSTG-NSHDSACASA-N	-1	0	318.395	0.568	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(-c2ccc(F)cc2C)nn1	ZINC000772711033	668781852	/nfs/dbraw/zinc/78/18/52/668781852.db2.gz	RUJUILNRFOTAPY-UHFFFAOYSA-N	-1	0	324.337	0.960	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(OC)c2c(c1)OCCO2	ZINC000772720874	668782683	/nfs/dbraw/zinc/78/26/83/668782683.db2.gz	YRAHCLTYPXSGEL-UHFFFAOYSA-N	-1	0	313.331	0.712	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21	ZINC000772720822	668782697	/nfs/dbraw/zinc/78/26/97/668782697.db2.gz	WGXFDGGJVBHDLH-UHFFFAOYSA-N	-1	0	310.331	0.044	20	30		DCEDRM
Cn1nccc1CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000774030980	668820110	/nfs/dbraw/zinc/82/01/10/668820110.db2.gz	SGOKATUPPWKMSW-UHFFFAOYSA-N	-1	0	318.358	0.480	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000775538924	668864873	/nfs/dbraw/zinc/86/48/73/668864873.db2.gz	NJKSEAFISDVNSY-NSHDSACASA-N	-1	0	316.321	0.373	20	30		DCEDRM
COCCCOCC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000776075123	668870673	/nfs/dbraw/zinc/87/06/73/668870673.db2.gz	SHJRZAGYNBWWEI-UHFFFAOYSA-N	-1	0	312.347	0.416	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)COCCc1ccccc1	ZINC000776116003	668871059	/nfs/dbraw/zinc/87/10/59/668871059.db2.gz	FBJYBRLUPVJJTP-UHFFFAOYSA-N	-1	0	310.375	0.995	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCO2	ZINC000776115430	668871065	/nfs/dbraw/zinc/87/10/65/668871065.db2.gz	NDVPZBJMLSMRLM-UHFFFAOYSA-N	-1	0	308.359	0.914	20	30		DCEDRM
CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776140931	668871612	/nfs/dbraw/zinc/87/16/12/668871612.db2.gz	QZGULEFAZLNGBW-UHFFFAOYSA-N	-1	0	317.411	0.535	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)Cc1ccccc1C#N)C(=O)[O-]	ZINC000776589125	668878549	/nfs/dbraw/zinc/87/85/49/668878549.db2.gz	UHKGRDKJNHGSHH-CYBMUJFWSA-N	-1	0	324.358	0.800	20	30		DCEDRM
C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000779543857	668913008	/nfs/dbraw/zinc/91/30/08/668913008.db2.gz	YPGJNUOFSKHOII-OQPBUACISA-N	-1	0	303.318	0.478	20	30		DCEDRM
N#CCc1cccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)c1	ZINC000780604872	668998426	/nfs/dbraw/zinc/99/84/26/668998426.db2.gz	CNSPWDAIAQWQOH-ZDUSSCGKSA-N	-1	0	308.359	0.991	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)CO1	ZINC000784502219	669207660	/nfs/dbraw/zinc/20/76/60/669207660.db2.gz	XYEIJBZIRKBRQK-GWCFXTLKSA-N	-1	0	308.359	0.929	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)[N-]N2CCCNC2=O)ccc1Cl	ZINC000784723443	669218118	/nfs/dbraw/zinc/21/81/18/669218118.db2.gz	GARJUDIRYRVMAF-UHFFFAOYSA-N	-1	0	314.754	0.820	20	30		DCEDRM
N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1O	ZINC000785409546	669254324	/nfs/dbraw/zinc/25/43/24/669254324.db2.gz	GBPWUVACQJCFNJ-KBPBESRZSA-N	-1	0	301.346	0.857	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)C(=O)[N-]OCCOC	ZINC000805841068	669377017	/nfs/dbraw/zinc/37/70/17/669377017.db2.gz	DPYWVFVFXNWUJX-UHFFFAOYSA-N	-1	0	308.334	0.562	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)CCn2ccnn2)n1	ZINC000787628902	669383699	/nfs/dbraw/zinc/38/36/99/669383699.db2.gz	MIUIXMUOLDEGOB-JTQLQIEISA-N	-1	0	319.346	0.853	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)c1cc(C(=O)[O-])ccc1C	ZINC000788429816	669439370	/nfs/dbraw/zinc/43/93/70/669439370.db2.gz	NGKXTJAMWWPMQM-UHFFFAOYSA-N	-1	0	322.390	0.627	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)C[C@H]1C(C)(C)C1(F)F)C(=O)OC	ZINC000882253631	669487249	/nfs/dbraw/zinc/48/72/49/669487249.db2.gz	YNERTVIZSGXWQB-BDAKNGLRSA-N	-1	0	309.334	0.762	20	30		DCEDRM
COCCO[N-]C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000789828514	669512849	/nfs/dbraw/zinc/51/28/49/669512849.db2.gz	ZSRJASYQRQUKPJ-UHFFFAOYSA-N	-1	0	311.269	0.361	20	30		DCEDRM
C[C@@H](OCC(=O)[N-]S(=O)(=O)CCCC#N)c1nccn1C	ZINC000805908970	669530709	/nfs/dbraw/zinc/53/07/09/669530709.db2.gz	JZUXFSQYHMKCMN-SNVBAGLBSA-N	-1	0	314.367	0.247	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1COc2cc(OC)ccc2C1	ZINC000791111743	669594132	/nfs/dbraw/zinc/59/41/32/669594132.db2.gz	XLPYRAAXLAZCDY-LBPRGKRZSA-N	-1	0	323.370	0.716	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccn(-c2ccccc2)n1	ZINC000791110308	669594464	/nfs/dbraw/zinc/59/44/64/669594464.db2.gz	BSMUPKFHOMDINJ-UHFFFAOYSA-N	-1	0	303.343	0.955	20	30		DCEDRM
C[C@H](OC(=O)c1cccc2n[nH]nc21)C(=O)N(C)CCC#N	ZINC000800207579	669839487	/nfs/dbraw/zinc/83/94/87/669839487.db2.gz	BHZHWVJRTPROAU-VIFPVBQESA-N	-1	0	301.306	0.875	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2cnccn2)cc1	ZINC000796616242	669937468	/nfs/dbraw/zinc/93/74/68/669937468.db2.gz	ZLJWYOIVGZZZDL-UHFFFAOYSA-N	-1	0	316.342	0.786	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnc(COC)s1	ZINC000796770178	669942083	/nfs/dbraw/zinc/94/20/83/669942083.db2.gz	ANJNKIMXICOQCH-SECBINFHSA-N	-1	0	311.363	0.765	20	30		DCEDRM
CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000798829138	670025809	/nfs/dbraw/zinc/02/58/09/670025809.db2.gz	AMAZUSBNKUYMSF-VIFPVBQESA-N	-1	0	313.383	0.593	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC	ZINC000802169029	670155356	/nfs/dbraw/zinc/15/53/56/670155356.db2.gz	ZVIJUUUNSXDYRG-GHMZBOCLSA-N	-1	0	303.380	0.824	20	30		DCEDRM
C=C(C)CN1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC000951550199	670299513	/nfs/dbraw/zinc/29/95/13/670299513.db2.gz	LVGFMCJERSIUHA-UHFFFAOYSA-N	-1	0	301.350	0.357	20	30		DCEDRM
COC(=O)CCCO[N-]C(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000808965473	670432733	/nfs/dbraw/zinc/43/27/33/670432733.db2.gz	HUWOESOQOLGMKB-UHFFFAOYSA-N	-1	0	319.317	0.806	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000810558874	670489624	/nfs/dbraw/zinc/48/96/24/670489624.db2.gz	XODHYPUTFSBRDF-UHFFFAOYSA-N	-1	0	303.771	0.928	20	30		DCEDRM
C=C(C)CN1CC(N(CC)C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC000952418189	670491305	/nfs/dbraw/zinc/49/13/05/670491305.db2.gz	JOJSIPNAIXEPHE-UHFFFAOYSA-N	-1	0	315.377	0.745	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)COCC2CC2)c1	ZINC000195497217	670495479	/nfs/dbraw/zinc/49/54/79/670495479.db2.gz	TUWIGMOTDMEJRA-UHFFFAOYSA-N	-1	0	308.359	0.931	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(-c2nc[nH]n2)c1	ZINC000810772085	670496616	/nfs/dbraw/zinc/49/66/16/670496616.db2.gz	ZTCWHFOOMFONMZ-UHFFFAOYSA-N	-1	0	304.331	0.555	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C1CCCC1	ZINC000810777211	670497193	/nfs/dbraw/zinc/49/71/93/670497193.db2.gz	WUNHTTIRKLFHSK-GFCCVEGCSA-N	-1	0	300.380	0.151	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(OCC(F)F)n1	ZINC000810777893	670497301	/nfs/dbraw/zinc/49/73/01/670497301.db2.gz	KHLFHZDDPBQATF-UHFFFAOYSA-N	-1	0	318.301	0.808	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(NC(C)=O)cc1	ZINC000810780929	670497823	/nfs/dbraw/zinc/49/78/23/670497823.db2.gz	XOHYZNCZFSUWHZ-UHFFFAOYSA-N	-1	0	308.359	0.657	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C1CCCC1	ZINC000810785411	670497964	/nfs/dbraw/zinc/49/79/64/670497964.db2.gz	GWYGCCQYVQFXQT-GFCCVEGCSA-N	-1	0	300.380	0.151	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc(C(N)=O)c2)CC1	ZINC000810986498	670502088	/nfs/dbraw/zinc/50/20/88/670502088.db2.gz	BVUOCRXKGWMARL-UHFFFAOYSA-N	-1	0	308.359	0.954	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cnc(N(C)C)cn2)CC1	ZINC000847712138	670594117	/nfs/dbraw/zinc/59/41/17/670594117.db2.gz	ULLIVOWSAIECPJ-UHFFFAOYSA-N	-1	0	310.379	0.711	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O	ZINC000812783142	670595847	/nfs/dbraw/zinc/59/58/47/670595847.db2.gz	AOOZRMKMHJDFSJ-GHMZBOCLSA-N	-1	0	307.350	0.414	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1	ZINC000812786674	670595954	/nfs/dbraw/zinc/59/59/54/670595954.db2.gz	OWOGICCLXYRADZ-GXTWGEPZSA-N	-1	0	318.377	0.789	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1	ZINC000847894771	670610900	/nfs/dbraw/zinc/61/09/00/670610900.db2.gz	OQSORVPZBNONAE-UHFFFAOYSA-N	-1	0	310.291	0.489	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCc2ccncc2)c1	ZINC000813980423	670667295	/nfs/dbraw/zinc/66/72/95/670667295.db2.gz	AKLAURZTBXOJQV-UHFFFAOYSA-N	-1	0	316.342	0.786	20	30		DCEDRM
CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980136	670667614	/nfs/dbraw/zinc/66/76/14/670667614.db2.gz	RTEOEMOIZKNNJY-SNVBAGLBSA-N	-1	0	311.363	0.819	20	30		DCEDRM
Cc1nc(CC(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)cs1	ZINC000813980243	670667744	/nfs/dbraw/zinc/66/77/44/670667744.db2.gz	XIWWCJCSQFLYOU-UHFFFAOYSA-N	-1	0	322.371	0.766	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2(Cl)Cl)c1	ZINC000813981576	670667799	/nfs/dbraw/zinc/66/77/99/670667799.db2.gz	REYUKHCHPPNRFI-QMMMGPOBSA-N	-1	0	320.157	0.952	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983106	670667816	/nfs/dbraw/zinc/66/78/16/670667816.db2.gz	IBGPQDHGSMBASB-UHFFFAOYSA-N	-1	0	315.314	0.282	20	30		DCEDRM
CCn1ncn(N=Cc2cn(CC(=O)[O-])c3ccccc23)c1=O	ZINC000814235227	670682919	/nfs/dbraw/zinc/68/29/19/670682919.db2.gz	AQFDXEBVXHRXNL-UHFFFAOYSA-N	-1	0	313.317	0.986	20	30		DCEDRM
COc1cc(C(C)=NNCC(N)=O)ccc1OCCCC(=O)[O-]	ZINC000814904230	670707950	/nfs/dbraw/zinc/70/79/50/670707950.db2.gz	ZFQJGTGZJQJWIV-UHFFFAOYSA-N	-1	0	323.349	0.738	20	30		DCEDRM
CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NNCC(N)=O	ZINC000814903839	670708042	/nfs/dbraw/zinc/70/80/42/670708042.db2.gz	DLLJBPMFPCGTQV-LLVKDONJSA-N	-1	0	307.350	0.922	20	30		DCEDRM
CCC(=NNCC(=O)[O-])c1ccc(Cl)c(S(N)(=O)=O)c1	ZINC000814960793	670709907	/nfs/dbraw/zinc/70/99/07/670709907.db2.gz	VOPRWPXLMUYPBX-UHFFFAOYSA-N	-1	0	319.770	0.776	20	30		DCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)c2nccn2C)c[nH]1	ZINC000815987405	670778202	/nfs/dbraw/zinc/77/82/02/670778202.db2.gz	CUJOQCHRJILGDE-VIFPVBQESA-N	-1	0	300.274	0.740	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000816010088	670779679	/nfs/dbraw/zinc/77/96/79/670779679.db2.gz	VUKNVOOPTAAYOC-NSHDSACASA-N	-1	0	309.347	0.500	20	30		DCEDRM
CON(C)CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000849408591	670792726	/nfs/dbraw/zinc/79/27/26/670792726.db2.gz	RXUIMQCULNFYMT-UHFFFAOYSA-N	-1	0	305.306	0.608	20	30		DCEDRM
COc1cc(C=NN2C(=O)[C@H](C)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000857217493	670896961	/nfs/dbraw/zinc/89/69/61/670896961.db2.gz	TWTNFCBHRNPBBO-ZETCQYMHSA-N	-1	0	322.277	0.925	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000850730940	670936959	/nfs/dbraw/zinc/93/69/59/670936959.db2.gz	XLYXSLVOBXHLJX-CYBMUJFWSA-N	-1	0	310.375	0.962	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)[C@H]1CCOC1	ZINC000850740306	670937513	/nfs/dbraw/zinc/93/75/13/670937513.db2.gz	VGIUQMCMLIXVLN-AAEUAGOBSA-N	-1	0	324.358	0.415	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000850786903	670940159	/nfs/dbraw/zinc/94/01/59/670940159.db2.gz	GJTSGKVIFGNFQI-VIFPVBQESA-N	-1	0	306.322	0.169	20	30		DCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)c(OC)c1	ZINC000850832880	670945735	/nfs/dbraw/zinc/94/57/35/670945735.db2.gz	FBJUHQFMLIIMFY-UHFFFAOYSA-N	-1	0	312.347	0.663	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1	ZINC000850833829	670946227	/nfs/dbraw/zinc/94/62/27/670946227.db2.gz	REXQGKUVINWLLN-UHFFFAOYSA-N	-1	0	302.352	0.470	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(c2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000817865725	670949172	/nfs/dbraw/zinc/94/91/72/670949172.db2.gz	XOAMKJRMSMQIGG-ONGXEEELSA-N	-1	0	323.374	0.753	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000850863405	670950550	/nfs/dbraw/zinc/95/05/50/670950550.db2.gz	SDZXXTVMLYNVMM-QMMMGPOBSA-N	-1	0	316.301	0.466	20	30		DCEDRM
Cc1ccn([C@H](C)CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n1	ZINC000850940097	670956157	/nfs/dbraw/zinc/95/61/57/670956157.db2.gz	HVQOVIBSMVMYHM-LLVKDONJSA-N	-1	0	310.379	0.892	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C	ZINC000851017212	670961151	/nfs/dbraw/zinc/96/11/51/670961151.db2.gz	CEYGUBGLVJIWIR-SECBINFHSA-N	-1	0	319.383	0.507	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)C[C@H](n1cccn1)C(F)(F)F	ZINC000851016620	670961376	/nfs/dbraw/zinc/96/13/76/670961376.db2.gz	YZRAXZQMSRYZDX-QMMMGPOBSA-N	-1	0	324.284	0.736	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1cccn1C	ZINC000851084079	670966719	/nfs/dbraw/zinc/96/67/19/670966719.db2.gz	YQCLUCOOBWPGIX-LLVKDONJSA-N	-1	0	313.379	0.301	20	30		DCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851328785	670978313	/nfs/dbraw/zinc/97/83/13/670978313.db2.gz	QEDRHXKOEZQEIT-UHFFFAOYSA-N	-1	0	312.307	0.735	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851329238	670979011	/nfs/dbraw/zinc/97/90/11/670979011.db2.gz	GFYNHADARKFFPB-UHFFFAOYSA-N	-1	0	311.319	0.844	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000818656172	671041466	/nfs/dbraw/zinc/04/14/66/671041466.db2.gz	CCWSOLLZOSIVHZ-LLVKDONJSA-N	-1	0	314.407	0.332	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCCC(N)=O)cc1	ZINC000819857175	671142017	/nfs/dbraw/zinc/14/20/17/671142017.db2.gz	UAMREWCCOATMOQ-HNNXBMFYSA-N	-1	0	319.317	0.884	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)nn1	ZINC000819927594	671147310	/nfs/dbraw/zinc/14/73/10/671147310.db2.gz	VLBPSZLAYBCCBH-AWEZNQCLSA-N	-1	0	308.338	0.608	20	30		DCEDRM
CCOc1cc(/C=C/C(=O)N[C@H]2CCN(O)C2=O)ccc1O	ZINC000820149409	671172063	/nfs/dbraw/zinc/17/20/63/671172063.db2.gz	OTWCBVWWWDAUIR-MALLOTDXSA-N	-1	0	306.318	0.910	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc1C#N	ZINC000853068782	671205805	/nfs/dbraw/zinc/20/58/05/671205805.db2.gz	DPNCKDOAWWXJDN-NSHDSACASA-N	-1	0	307.331	0.713	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccnc(N2CCOCC2)n1	ZINC000860472317	671212017	/nfs/dbraw/zinc/21/20/17/671212017.db2.gz	HPXNBZOCJUMHDU-LLVKDONJSA-N	-1	0	317.349	0.160	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)CC(F)(F)F)cn1	ZINC000860570457	671219604	/nfs/dbraw/zinc/21/96/04/671219604.db2.gz	YQLVUGOKBMZUNA-UHFFFAOYSA-N	-1	0	307.253	0.504	20	30		DCEDRM
COC[C@@H](CS(=O)(=O)[N-]C(=O)CCCCCC#N)OC	ZINC000853209114	671219852	/nfs/dbraw/zinc/21/98/52/671219852.db2.gz	YQOVEJBACFDHGF-NSHDSACASA-N	-1	0	306.384	0.568	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)C(C#N)=C([O-])c2nccn2C)O1	ZINC000860613284	671223861	/nfs/dbraw/zinc/22/38/61/671223861.db2.gz	ZIPSZAVNXSOLQA-BBBLOLIVSA-N	-1	0	305.290	0.032	20	30		DCEDRM
Cn1cncc1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000821622686	671286199	/nfs/dbraw/zinc/28/61/99/671286199.db2.gz	MXPLPSXDKHTLBN-UHFFFAOYSA-N	-1	0	304.331	0.552	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc2c(c1)COC2	ZINC000821764930	671291669	/nfs/dbraw/zinc/29/16/69/671291669.db2.gz	QRUJTDGFQSBYAF-LLVKDONJSA-N	-1	0	323.370	0.701	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc2c(c1)COC2	ZINC000821764931	671291703	/nfs/dbraw/zinc/29/17/03/671291703.db2.gz	QRUJTDGFQSBYAF-NSHDSACASA-N	-1	0	323.370	0.701	20	30		DCEDRM
CC(C)N(C(=O)Cn1cnc(C#N)c1-c1nn[nH]n1)C(C)C	ZINC000824284357	671426122	/nfs/dbraw/zinc/42/61/22/671426122.db2.gz	GNGZFPLWUIFVTO-UHFFFAOYSA-N	-1	0	302.342	0.580	20	30		DCEDRM
COc1ccc(C(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)cc1	ZINC000826187616	671482002	/nfs/dbraw/zinc/48/20/02/671482002.db2.gz	YUJPSIJTPGWGHN-UHFFFAOYSA-N	-1	0	309.289	0.826	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)NCc1ccccc1	ZINC000826382954	671487134	/nfs/dbraw/zinc/48/71/34/671487134.db2.gz	CDQIJDHYSLGULB-UHFFFAOYSA-N	-1	0	308.305	0.251	20	30		DCEDRM
C#CCSCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000828459897	671553666	/nfs/dbraw/zinc/55/36/66/671553666.db2.gz	SXPMQZNDZQKICH-UHFFFAOYSA-N	-1	0	314.388	0.136	20	30		DCEDRM
C#Cc1cncc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1	ZINC000831125844	671654906	/nfs/dbraw/zinc/65/49/06/671654906.db2.gz	RIQCAXWJYSILNL-UHFFFAOYSA-N	-1	0	311.263	0.813	20	30		DCEDRM
C#CCN(CC(=O)[N-]OCC(C)(C)O)C(=O)OC(C)(C)C	ZINC000834628613	671774044	/nfs/dbraw/zinc/77/40/44/671774044.db2.gz	SIKZULLYJXYGOY-UHFFFAOYSA-N	-1	0	300.355	0.675	20	30		DCEDRM
Cn1nc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c2c1CCCC2	ZINC000835276394	671792462	/nfs/dbraw/zinc/79/24/62/671792462.db2.gz	QGIONHDYQAFQCO-UHFFFAOYSA-N	-1	0	324.406	0.908	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2	ZINC000835382846	671795099	/nfs/dbraw/zinc/79/50/99/671795099.db2.gz	GZMLFSJQIOOKMZ-SNVBAGLBSA-N	-1	0	309.343	0.465	20	30		DCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)c(C)c1OC	ZINC000835410358	671795361	/nfs/dbraw/zinc/79/53/61/671795361.db2.gz	SPNQRNGTLSAWSP-UHFFFAOYSA-N	-1	0	312.347	0.986	20	30		DCEDRM
CCCC[C@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835410139	671795382	/nfs/dbraw/zinc/79/53/82/671795382.db2.gz	DUQHSYKZUDZVHI-JTQLQIEISA-N	-1	0	318.399	0.224	20	30		DCEDRM
C#C[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)[C@H]1CCCO1	ZINC000867124263	671797235	/nfs/dbraw/zinc/79/72/35/671797235.db2.gz	KETGNEPIROMELA-GHMZBOCLSA-N	-1	0	306.409	0.263	20	30		DCEDRM
C=CCO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2	ZINC000837046004	671844145	/nfs/dbraw/zinc/84/41/45/671844145.db2.gz	CZFHWOQLSBNQJD-UHFFFAOYSA-N	-1	0	312.347	0.229	20	30		DCEDRM
N#Cc1c(N2CCC[C@H](CC(=O)[O-])C2)cccc1S(N)(=O)=O	ZINC000841505279	671937942	/nfs/dbraw/zinc/93/79/42/671937942.db2.gz	JDXLSPTUSLKCNZ-SNVBAGLBSA-N	-1	0	323.374	0.897	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(CCC)C2)CC1	ZINC000842362727	672009217	/nfs/dbraw/zinc/00/92/17/672009217.db2.gz	WXRHRQWWVFJCDD-NSHDSACASA-N	-1	0	314.407	0.800	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cn(C2CCC2)nn1	ZINC000842752102	672033493	/nfs/dbraw/zinc/03/34/93/672033493.db2.gz	GZWKLBUJHHSAFX-UHFFFAOYSA-N	-1	0	311.367	0.612	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C1CC1	ZINC000842749721	672033628	/nfs/dbraw/zinc/03/36/28/672033628.db2.gz	HASAXCZWUZPCOA-NSHDSACASA-N	-1	0	313.379	0.137	20	30		DCEDRM
C[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)c2C1	ZINC000842755469	672034299	/nfs/dbraw/zinc/03/42/99/672034299.db2.gz	ZQCDNQFWYVPPER-SNVBAGLBSA-N	-1	0	322.390	0.829	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)OC(C)(C)C	ZINC000842779519	672036290	/nfs/dbraw/zinc/03/62/90/672036290.db2.gz	FOALQKBUNUKPJT-UHFFFAOYSA-N	-1	0	303.380	0.824	20	30		DCEDRM
C=CC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])c1ccncc1	ZINC000843257003	672074801	/nfs/dbraw/zinc/07/48/01/672074801.db2.gz	JSJRTNPIYCRZBS-GFCCVEGCSA-N	-1	0	305.334	0.796	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000843256426	672074803	/nfs/dbraw/zinc/07/48/03/672074803.db2.gz	FHNWQKDMAXAWDG-UHFFFAOYSA-N	-1	0	312.391	0.182	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000844794324	672203141	/nfs/dbraw/zinc/20/31/41/672203141.db2.gz	HCTZYNRXLJEJBF-NEPJUHHUSA-N	-1	0	317.411	0.899	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000844793387	672203321	/nfs/dbraw/zinc/20/33/21/672203321.db2.gz	NBOXQDJIGOEOET-SSDOTTSWSA-N	-1	0	302.333	0.094	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@@H](F)C(=O)[O-]	ZINC000844798118	672203634	/nfs/dbraw/zinc/20/36/34/672203634.db2.gz	GCUWHQYYQIZAOS-SNVBAGLBSA-N	-1	0	304.274	0.539	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N[C@H](Cc2ccncn2)C(=O)[O-])CC1	ZINC000844804413	672204256	/nfs/dbraw/zinc/20/42/56/672204256.db2.gz	NGULPBUFLQWKKI-LLVKDONJSA-N	-1	0	324.362	0.086	20	30		DCEDRM
C[C@H]1C[C@H](S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)CCO1	ZINC000844818180	672204479	/nfs/dbraw/zinc/20/44/79/672204479.db2.gz	VMSPRTQLRFRHDW-WCQYABFASA-N	-1	0	315.391	0.684	20	30		DCEDRM
Cc1cnc(N)c(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)c1	ZINC000844815243	672204484	/nfs/dbraw/zinc/20/44/84/672204484.db2.gz	GOBNAKGPGCTHGK-UHFFFAOYSA-N	-1	0	323.374	0.461	20	30		DCEDRM
C[C@H]1CCCCN1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844821139	672205131	/nfs/dbraw/zinc/20/51/31/672205131.db2.gz	LCFWJYHHJKBXIZ-LBPRGKRZSA-N	-1	0	314.407	0.906	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1	ZINC000846147902	672297347	/nfs/dbraw/zinc/29/73/47/672297347.db2.gz	XJYPULIWKSFQCU-ZDUSSCGKSA-N	-1	0	319.317	0.474	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1	ZINC000846145472	672297539	/nfs/dbraw/zinc/29/75/39/672297539.db2.gz	FWTZVZSKYDJDKZ-GFCCVEGCSA-N	-1	0	308.338	0.625	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1	ZINC000846152381	672297939	/nfs/dbraw/zinc/29/79/39/672297939.db2.gz	AYABNZDUIHXAAW-JQWIXIFHSA-N	-1	0	308.338	0.623	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C	ZINC000846158036	672298312	/nfs/dbraw/zinc/29/83/12/672298312.db2.gz	ZGYNPMDHPMOPFQ-SECBINFHSA-N	-1	0	303.318	0.766	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1	ZINC000846537204	672326568	/nfs/dbraw/zinc/32/65/68/672326568.db2.gz	IRPHBGSEBLMCBI-GFCCVEGCSA-N	-1	0	320.349	0.801	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnn3cccnc23)CCC1	ZINC000771081448	685337084	/nfs/dbraw/zinc/33/70/84/685337084.db2.gz	YDYOXDZOTZPFJL-UHFFFAOYSA-N	-1	0	319.346	0.483	20	30		DCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c(C(F)F)n1	ZINC000793195384	685343816	/nfs/dbraw/zinc/34/38/16/685343816.db2.gz	KBPOCDOCSZPQKV-UHFFFAOYSA-N	-1	0	318.305	0.721	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccnn2CC(F)F)CC1	ZINC000793195891	685343960	/nfs/dbraw/zinc/34/39/60/685343960.db2.gz	CAUIDCHSUTYEPX-UHFFFAOYSA-N	-1	0	318.305	0.512	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1F)n1cnc(C#N)n1	ZINC000798814077	685346866	/nfs/dbraw/zinc/34/68/66/685346866.db2.gz	PKVZZLMYBZOHOF-MRVPVSSYSA-N	-1	0	323.309	0.355	20	30		DCEDRM
O=C(CCn1ccccc1=O)[N-]S(=O)(=O)c1cccnc1	ZINC000075797370	685078921	/nfs/dbraw/zinc/07/89/21/685078921.db2.gz	FUIPQHZUHFZNIQ-UHFFFAOYSA-N	-1	0	307.331	0.979	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1	ZINC000133558704	685121132	/nfs/dbraw/zinc/12/11/32/685121132.db2.gz	YATMJEJAFCSUFB-LLVKDONJSA-N	-1	0	313.273	0.849	20	30		DCEDRM
C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000967253247	689969155	/nfs/dbraw/zinc/96/91/55/689969155.db2.gz	GBANETGPLFHJEM-UWVGGRQHSA-N	-1	0	307.354	0.299	20	30		DCEDRM
C=CCCN1CCO[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21	ZINC001074219064	694842873	/nfs/dbraw/zinc/84/28/73/694842873.db2.gz	JZGXSYHSXBZAOZ-OLZOCXBDSA-N	-1	0	320.393	0.915	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001745089424	1157753718	/nfs/dbraw/zinc/75/37/18/1157753718.db2.gz	QFPOOHHDJQVVHU-JTQLQIEISA-N	-1	0	310.354	0.203	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001571821340	1162943585	/nfs/dbraw/zinc/94/35/85/1162943585.db2.gz	OVIGUNALEZBHQF-KOLCDFICSA-N	-1	0	322.365	0.039	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC001649790743	1158409391	/nfs/dbraw/zinc/40/93/91/1158409391.db2.gz	XOEBXXKQYWDYAA-UHFFFAOYSA-N	-1	0	309.347	0.062	20	30		DCEDRM
C=CCCCC(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001746914542	1158666154	/nfs/dbraw/zinc/66/61/54/1158666154.db2.gz	WKHXXWHDBFPBQV-UHFFFAOYSA-N	-1	0	323.353	0.170	20	30		DCEDRM
CN(C)C(=O)Nc1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001210632694	1159110971	/nfs/dbraw/zinc/11/09/71/1159110971.db2.gz	MFEIHNMINAZOQM-UHFFFAOYSA-N	-1	0	305.298	0.993	20	30		DCEDRM
C=CCN1CCC[C@@H]([N-]S(=O)(=O)CC(F)(F)F)C1=O	ZINC001253235293	1159141242	/nfs/dbraw/zinc/14/12/42/1159141242.db2.gz	PRUUBJOWJPWHOP-MRVPVSSYSA-N	-1	0	300.302	0.645	20	30		DCEDRM
CCc1ncsc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001446376564	1159397773	/nfs/dbraw/zinc/39/77/73/1159397773.db2.gz	NRQMRYHYBCPDGO-UHFFFAOYSA-N	-1	0	319.346	0.868	20	30		DCEDRM
C=C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)C(=O)[O-]	ZINC001609287435	1159815419	/nfs/dbraw/zinc/81/54/19/1159815419.db2.gz	QEQQKGJTZWLFNQ-SFYZADRCSA-N	-1	0	318.376	0.778	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)C#CC(C)C)c1[O-]	ZINC001572249857	1163079184	/nfs/dbraw/zinc/07/91/84/1163079184.db2.gz	XNFUYDYREFCFTK-JTQLQIEISA-N	-1	0	306.366	0.660	20	30		DCEDRM
C=CCNC(=O)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001566894604	1160178998	/nfs/dbraw/zinc/17/89/98/1160178998.db2.gz	IYCIJKJOGVCZMZ-UHFFFAOYSA-N	-1	0	302.290	0.062	20	30		DCEDRM
C#CCSCC(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1	ZINC001567089828	1160237701	/nfs/dbraw/zinc/23/77/01/1160237701.db2.gz	WFWPSRXMVRGCJV-UHFFFAOYSA-N	-1	0	300.361	0.345	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001569139240	1160957741	/nfs/dbraw/zinc/95/77/41/1160957741.db2.gz	LWWFFFILCZFEGZ-AXFHLTTASA-N	-1	0	309.370	0.038	20	30		DCEDRM
C#CCC1(NS(=O)(=O)CC2(CC(=O)[O-])CC2)CCOCC1	ZINC001573303616	1163412838	/nfs/dbraw/zinc/41/28/38/1163412838.db2.gz	QGHCQGAKEGHTEO-UHFFFAOYSA-N	-1	0	315.391	0.733	20	30		DCEDRM
COc1ncc(NC(=O)N2CCO[C@](C)(C(=O)[O-])C2)cc1C#N	ZINC001574054026	1163630376	/nfs/dbraw/zinc/63/03/76/1163630376.db2.gz	JDFSVCWKQHJZMH-AWEZNQCLSA-N	-1	0	320.305	0.669	20	30		DCEDRM
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](O)CC(=O)[O-]	ZINC001574173345	1163651569	/nfs/dbraw/zinc/65/15/69/1163651569.db2.gz	RPUBHVWGJYWVDH-SNVBAGLBSA-N	-1	0	315.289	0.222	20	30		DCEDRM
N#CCc1ccnc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)c1	ZINC001574242540	1163671999	/nfs/dbraw/zinc/67/19/99/1163671999.db2.gz	YSGPHQUPYNLKCB-QWRGUYRKSA-N	-1	0	319.321	0.240	20	30		DCEDRM
N#Cc1cc(NC(=O)CN2CCNC(=O)C2)ccc1NC(=O)[O-]	ZINC001574244902	1163672557	/nfs/dbraw/zinc/67/25/57/1163672557.db2.gz	BRMXWOCYSOOBHA-UHFFFAOYSA-N	-1	0	317.305	0.018	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)NCc1[nH]cnc1C(=O)[O-]	ZINC001574248082	1163673711	/nfs/dbraw/zinc/67/37/11/1163673711.db2.gz	BVGHVGOPQUMVAH-UHFFFAOYSA-N	-1	0	300.274	0.675	20	30		DCEDRM
N#Cc1ccsc1NC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO	ZINC001574249473	1163675072	/nfs/dbraw/zinc/67/50/72/1163675072.db2.gz	WRWOXPABIITPNO-BDAKNGLRSA-N	-1	0	310.335	0.712	20	30		DCEDRM
CC[C@H]1COC(C)(C)CN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001577176361	1164623845	/nfs/dbraw/zinc/62/38/45/1164623845.db2.gz	AAWCFMZNUSIUSW-VIFPVBQESA-N	-1	0	314.353	0.922	20	30		DCEDRM
CCCC=C[C@@H](O)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001577393656	1164684956	/nfs/dbraw/zinc/68/49/56/1164684956.db2.gz	XKPMLGKXTTZCSS-WTSVBCDHSA-N	-1	0	302.298	0.117	20	30		DCEDRM
COCCOCCCCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579816113	1165401898	/nfs/dbraw/zinc/40/18/98/1165401898.db2.gz	XZFVATFIDYAPHB-UHFFFAOYSA-N	-1	0	318.341	0.383	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)c1	ZINC001580768613	1165714487	/nfs/dbraw/zinc/71/44/87/1165714487.db2.gz	FAIGDSJLZDPSPP-VIFPVBQESA-N	-1	0	323.320	0.838	20	30		DCEDRM
Cc1ccccc1[C@@H](O)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001581252807	1165806472	/nfs/dbraw/zinc/80/64/72/1165806472.db2.gz	AXBSTNFCKCYEQW-LBPRGKRZSA-N	-1	0	322.332	0.982	20	30		DCEDRM
Cc1nnc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)n1C1CC1	ZINC001581611159	1165849046	/nfs/dbraw/zinc/84/90/46/1165849046.db2.gz	HUJHRVUTTPAQAC-UHFFFAOYSA-N	-1	0	323.324	0.375	20	30		DCEDRM
N#Cc1nc(NC(=O)C=C[C@@H]2CCCO2)[n-]c1-c1nn[nH]n1	ZINC001581860128	1165891881	/nfs/dbraw/zinc/89/18/81/1165891881.db2.gz	LNNYGUDCOCFVKC-AVALRIAPSA-N	-1	0	300.282	0.135	20	30		DCEDRM
N#Cc1ccc(CC(=O)Cn2cncc(-c3nnn[n-]3)c2=O)cc1	ZINC001581869106	1165895437	/nfs/dbraw/zinc/89/54/37/1165895437.db2.gz	IVRJNERSFSHDMJ-UHFFFAOYSA-N	-1	0	321.300	0.107	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001582085546	1165952770	/nfs/dbraw/zinc/95/27/70/1165952770.db2.gz	DOMDDUBGACBYDI-JTQLQIEISA-N	-1	0	306.366	0.967	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)cc1	ZINC001584655231	1166349963	/nfs/dbraw/zinc/34/99/63/1166349963.db2.gz	ZZVWPKQUTADDFQ-UHFFFAOYSA-N	-1	0	323.312	0.855	20	30		DCEDRM
C#C[C@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)(C)C	ZINC001588327230	1166522682	/nfs/dbraw/zinc/52/26/82/1166522682.db2.gz	FFYKHKXGIKFWIT-BDAKNGLRSA-N	-1	0	302.342	0.183	20	30		DCEDRM
C#CC[N@@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1	ZINC001588350897	1166539988	/nfs/dbraw/zinc/53/99/88/1166539988.db2.gz	VMUDGWZQNWQZOE-UHFFFAOYSA-N	-1	0	310.321	0.213	20	30		DCEDRM
C=CCn1nnnc1SCc1ccncc1-c1nn[nH]n1	ZINC001588716384	1166581905	/nfs/dbraw/zinc/58/19/05/1166581905.db2.gz	DTKJVMKFUJAMKR-UHFFFAOYSA-N	-1	0	301.339	0.727	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588965787	1166623886	/nfs/dbraw/zinc/62/38/86/1166623886.db2.gz	LDRSHCULEYRSCR-UFBFGSQYSA-N	-1	0	303.330	0.074	20	30		DCEDRM
C[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)[C@@H]1CCCO1	ZINC001589024952	1166628399	/nfs/dbraw/zinc/62/83/99/1166628399.db2.gz	GCIKFPNJIVEPBY-SVRRBLITSA-N	-1	0	302.298	0.215	20	30		DCEDRM
C[C@H](C(=O)OCCCSCC#N)n1cnc(-c2nnn[n-]2)n1	ZINC001589029449	1166631531	/nfs/dbraw/zinc/63/15/31/1166631531.db2.gz	ATRBXMJSEQHITK-MRVPVSSYSA-N	-1	0	322.354	0.209	20	30		DCEDRM
CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCC#N	ZINC001589482346	1166661064	/nfs/dbraw/zinc/66/10/64/1166661064.db2.gz	CCVUOEOKOOJSJY-LBPRGKRZSA-N	-1	0	300.322	0.910	20	30		DCEDRM
C[C@@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)C(F)(F)F	ZINC001589793829	1166687918	/nfs/dbraw/zinc/68/79/18/1166687918.db2.gz	BWXCKUGTTCZQHB-BYPYZUCNSA-N	-1	0	314.231	0.988	20	30		DCEDRM
C[C@@H](C[C@@H]1CCOC1)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589803601	1166690865	/nfs/dbraw/zinc/69/08/65/1166690865.db2.gz	TXJOFWCAWXHJLC-IUCAKERBSA-N	-1	0	300.326	0.755	20	30		DCEDRM
CC[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)[C@H](O)C(C)C	ZINC001590473827	1166919440	/nfs/dbraw/zinc/91/94/40/1166919440.db2.gz	SPCXPCJVLKWUDP-QPUJVOFHSA-N	-1	0	302.342	0.736	20	30		DCEDRM
CCC1(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)COC1	ZINC001590491222	1166922531	/nfs/dbraw/zinc/92/25/31/1166922531.db2.gz	CAIUQRMBXOLXDV-UHFFFAOYSA-N	-1	0	302.298	0.217	20	30		DCEDRM
CCN(C[C@@H]1CCOC1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590690724	1166973481	/nfs/dbraw/zinc/97/34/81/1166973481.db2.gz	CEVSOIORHIKTBG-VIFPVBQESA-N	-1	0	300.326	0.391	20	30		DCEDRM
CCn1cnc(C=Nn2c(C)cc(C)c(-c3nnn[n-]3)c2=O)c1	ZINC001590962606	1167058116	/nfs/dbraw/zinc/05/81/16/1167058116.db2.gz	OCHGSTPOUVKTLT-UHFFFAOYSA-N	-1	0	312.337	0.744	20	30		DCEDRM
CO[C@@H](CC(C)C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001591327465	1167218150	/nfs/dbraw/zinc/21/81/50/1167218150.db2.gz	RMWJZQGDXMGIOR-QMMMGPOBSA-N	-1	0	304.314	0.461	20	30		DCEDRM
Cc1ccc(-c2nn[nH]n2)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001592094456	1167451527	/nfs/dbraw/zinc/45/15/27/1167451527.db2.gz	FGUMUAQJTOZMSZ-GFCCVEGCSA-N	-1	0	310.317	0.776	20	30		DCEDRM
Cc1ccc(O)c(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC001592186339	1167473324	/nfs/dbraw/zinc/47/33/24/1167473324.db2.gz	OTWPXKZUXYVQON-UHFFFAOYSA-N	-1	0	310.277	0.728	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1noc(C(C)(C)C)n1	ZINC001592335937	1167493550	/nfs/dbraw/zinc/49/35/50/1167493550.db2.gz	NTGBLSHNQLLUNB-UHFFFAOYSA-N	-1	0	313.325	0.972	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N2CCC(C(=O)OCC#N)CC2)o1	ZINC001592338240	1167494127	/nfs/dbraw/zinc/49/41/27/1167494127.db2.gz	LSOZHUSOWBDHRR-UHFFFAOYSA-N	-1	0	317.309	0.446	20	30		DCEDRM
Cn1cc(-c2nnn[n-]2)c(=O)n(CC2CCC(C#N)CC2)c1=O	ZINC001592557980	1167558813	/nfs/dbraw/zinc/55/88/13/1167558813.db2.gz	JFOAYENNGQZAOF-UHFFFAOYSA-N	-1	0	315.337	0.057	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cccc3c2OCO3)[n-]c1-c1nn[nH]n1	ZINC001592682209	1167600504	/nfs/dbraw/zinc/60/05/04/1167600504.db2.gz	SDXGNSBFLWTJNK-UHFFFAOYSA-N	-1	0	324.260	0.442	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cnc3cc[nH]c3c2)[n-]c1-c1nn[nH]n1	ZINC001592682224	1167600739	/nfs/dbraw/zinc/60/07/39/1167600739.db2.gz	SRHRRKGQSGSPPR-UHFFFAOYSA-N	-1	0	320.276	0.590	20	30		DCEDRM
N#Cc1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)nc1	ZINC001592693282	1167602747	/nfs/dbraw/zinc/60/27/47/1167602747.db2.gz	QYSHBRXMHFVPTF-UHFFFAOYSA-N	-1	0	321.300	0.769	20	30		DCEDRM
N#Cc1ncc(NCc2ccc(O)c(F)c2)nc1-c1nnn[n-]1	ZINC001592708741	1167606566	/nfs/dbraw/zinc/60/65/66/1167606566.db2.gz	MMDCEBZUMBCTJB-UHFFFAOYSA-N	-1	0	312.268	0.985	20	30		DCEDRM
N#Cc1ncc(NCC2(C3(O)CCC3)CC2)nc1-c1nnn[n-]1	ZINC001592710682	1167610122	/nfs/dbraw/zinc/61/01/22/1167610122.db2.gz	USBMOXFNDSMELX-UHFFFAOYSA-N	-1	0	312.337	0.635	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2ccc(C#N)cn2)[C@H](C(=O)[O-])C1	ZINC001598798926	1168042468	/nfs/dbraw/zinc/04/24/68/1168042468.db2.gz	RUFIKZJBOBEGCC-JQWIXIFHSA-N	-1	0	317.301	0.432	20	30		DCEDRM
Cc1c(NC(=O)C(=O)N(C)CC(C)(C)C#N)cnn1CC(=O)[O-]	ZINC001600023505	1168097632	/nfs/dbraw/zinc/09/76/32/1168097632.db2.gz	MDBMQODQYQSWKJ-UHFFFAOYSA-N	-1	0	321.337	0.223	20	30		DCEDRM
Cc1cc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)ncc1C#N	ZINC001600255229	1168151829	/nfs/dbraw/zinc/15/18/29/1168151829.db2.gz	QGJDPRWVIIBZOR-LLVKDONJSA-N	-1	0	316.317	0.523	20	30		DCEDRM
Cc1cc(NC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)ncc1C#N	ZINC001600262250	1168152886	/nfs/dbraw/zinc/15/28/86/1168152886.db2.gz	LAFLBHVIZHHIJY-ONGXEEELSA-N	-1	0	304.306	0.968	20	30		DCEDRM
Cc1n[nH]c(C)c1NC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001600671352	1168240268	/nfs/dbraw/zinc/24/02/68/1168240268.db2.gz	ZWDWZMFROIHAGT-UHFFFAOYSA-N	-1	0	315.289	0.397	20	30		DCEDRM
Cc1nsc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c1C#N	ZINC001600819371	1168474597	/nfs/dbraw/zinc/47/45/97/1168474597.db2.gz	AUYLPMJSJPVBHB-QMMMGPOBSA-N	-1	0	322.346	0.585	20	30		DCEDRM
Cn1cc(Br)c(C(=O)N(CC#N)CC(=O)[O-])n1	ZINC001600926256	1168510060	/nfs/dbraw/zinc/51/00/60/1168510060.db2.gz	UDOCFCRHQNOSPQ-UHFFFAOYSA-N	-1	0	301.100	0.233	20	30		DCEDRM
N#C[C@@]1(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CC12CCCC2	ZINC001601049381	1168577603	/nfs/dbraw/zinc/57/76/03/1168577603.db2.gz	LYIFNAQFOPTCBZ-OAHLLOKOSA-N	-1	0	315.333	0.834	20	30		DCEDRM
N#CC1CCC(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	ZINC001601057938	1168579014	/nfs/dbraw/zinc/57/90/14/1168579014.db2.gz	FWMNIUMWVYURLJ-LOTOBDBSSA-N	-1	0	307.350	0.412	20	30		DCEDRM
N#CC[C@H](N1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O)C(F)(F)F	ZINC001601061293	1168579414	/nfs/dbraw/zinc/57/94/14/1168579414.db2.gz	CAZPVPQJAVDOQL-FXQIFTODSA-N	-1	0	319.239	0.958	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1	ZINC001601064087	1168579982	/nfs/dbraw/zinc/57/99/82/1168579982.db2.gz	KFMOFXGFCZCWMB-ZYHUDNBSSA-N	-1	0	305.334	0.428	20	30		DCEDRM
N#CCCN(Cc1cn(CC(=O)[O-])nn1)Cc1ccccn1	ZINC001601067679	1168580438	/nfs/dbraw/zinc/58/04/38/1168580438.db2.gz	GFWIKGQIMWZACF-UHFFFAOYSA-N	-1	0	300.322	0.674	20	30		DCEDRM
N#CCCN1CCN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	ZINC001601067964	1168580651	/nfs/dbraw/zinc/58/06/51/1168580651.db2.gz	XLCSAHXPAUOERG-XUJVJEKNSA-N	-1	0	306.366	0.481	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccnc(-n2cncn2)c1	ZINC001601071858	1168580995	/nfs/dbraw/zinc/58/09/95/1168580995.db2.gz	KGEDPUNVMYIPRD-UHFFFAOYSA-N	-1	0	300.278	0.103	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@H]1CC(c2ccccn2)=NO1	ZINC001601070233	1168581190	/nfs/dbraw/zinc/58/11/90/1168581190.db2.gz	LEGRDCRULQMQSP-GFCCVEGCSA-N	-1	0	302.290	0.401	20	30		DCEDRM
N#CCN1CCC(N2C(=O)[C@@H]3CC[C@@H](C(=O)[O-])CN3C2=O)CC1	ZINC001601073481	1168581565	/nfs/dbraw/zinc/58/15/65/1168581565.db2.gz	XJFRZLWVHCFJMJ-PWSUYJOCSA-N	-1	0	320.349	0.102	20	30		DCEDRM
N#CCOc1cccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c1	ZINC001601075888	1168582198	/nfs/dbraw/zinc/58/21/98/1168582198.db2.gz	RRRYZEVJKPPJQX-OLZOCXBDSA-N	-1	0	304.302	0.837	20	30		DCEDRM
N#CCc1cccc(NC(=O)C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c1	ZINC001601077608	1168582602	/nfs/dbraw/zinc/58/26/02/1168582602.db2.gz	IRPKMNNOQYQJEV-JQWIXIFHSA-N	-1	0	319.292	0.715	20	30		DCEDRM
N#Cc1c(N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)nc2ccccn12	ZINC001601082916	1168582801	/nfs/dbraw/zinc/58/28/01/1168582801.db2.gz	IJSPMOFLUYUSOF-SNVBAGLBSA-N	-1	0	323.316	0.947	20	30		DCEDRM
N#Cc1c(F)cc(C(=O)N2CCN(CC(=O)[O-])CC2)cc1F	ZINC001601081448	1168582916	/nfs/dbraw/zinc/58/29/16/1168582916.db2.gz	TWQLHQOVNPVZSB-UHFFFAOYSA-N	-1	0	309.272	0.679	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	ZINC001601078207	1168582969	/nfs/dbraw/zinc/58/29/69/1168582969.db2.gz	ILLWZMGNGSPYLZ-UHFFFAOYSA-N	-1	0	324.358	0.665	20	30		DCEDRM
N#Cc1c(CNC2(C(N)=O)CCOCC2)cccc1C(=O)[O-]	ZINC001601082741	1168582994	/nfs/dbraw/zinc/58/29/94/1168582994.db2.gz	YGZRUWGCSFHEMA-UHFFFAOYSA-N	-1	0	303.318	0.381	20	30		DCEDRM
N#Cc1ccc(F)c(CNS(=O)(=O)CC2(C(=O)[O-])CC2)c1	ZINC001601102499	1168585143	/nfs/dbraw/zinc/58/51/43/1168585143.db2.gz	FFQNGAKTXUDHMR-UHFFFAOYSA-N	-1	0	312.322	0.982	20	30		DCEDRM
N#Cc1cccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1	ZINC001601120902	1168587526	/nfs/dbraw/zinc/58/75/26/1168587526.db2.gz	RRRAHXNJHUJCBL-SNVBAGLBSA-N	-1	0	302.290	0.215	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)n1	ZINC001601114846	1168587597	/nfs/dbraw/zinc/58/75/97/1168587597.db2.gz	HNBSMIWYTWPLSZ-AWEZNQCLSA-N	-1	0	300.274	0.399	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)C2	ZINC001601114387	1168587853	/nfs/dbraw/zinc/58/78/53/1168587853.db2.gz	RXNYJUHUJZTBNR-KBPBESRZSA-N	-1	0	315.329	0.520	20	30		DCEDRM
N#Cc1cccc(OCCN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1	ZINC001601123708	1168588237	/nfs/dbraw/zinc/58/82/37/1168588237.db2.gz	PVESLSAVKXSVBN-CYBMUJFWSA-N	-1	0	324.358	0.121	20	30		DCEDRM
N#Cc1ccccc1/C=C/C(=O)N[C@H](Cn1cncn1)C(=O)[O-]	ZINC001601126306	1168589340	/nfs/dbraw/zinc/58/93/40/1168589340.db2.gz	SYMREOHDXHRJPX-URWSZGRFSA-N	-1	0	311.301	0.433	20	30		DCEDRM
N#Cc1ccnc(N2CCN(c3ccnc(C(=O)[O-])n3)CC2)c1	ZINC001601127492	1168590146	/nfs/dbraw/zinc/59/01/46/1168590146.db2.gz	ORNGLYUVDDHZQC-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1csc(C(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])c1	ZINC001601131174	1168590641	/nfs/dbraw/zinc/59/06/41/1168590641.db2.gz	SVGVODAUQSYNOH-UHFFFAOYSA-N	-1	0	322.302	0.664	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCN(C(=O)C2CC2)CC1	ZINC001601133591	1168592694	/nfs/dbraw/zinc/59/26/94/1168592694.db2.gz	SSCRNLZSPDXPOM-UHFFFAOYSA-N	-1	0	300.318	0.710	20	30		DCEDRM
N#Cc1nn([C@H]2CCCN(CCC(=O)[O-])C2=O)cc1[N+](=O)[O-]	ZINC001601136231	1168594379	/nfs/dbraw/zinc/59/43/79/1168594379.db2.gz	LTUWFMJKHSGNEM-VIFPVBQESA-N	-1	0	307.266	0.301	20	30		DCEDRM
O=C([O-])c1cnc(N[C@H](CNC(=O)C#CC2CC2)C2CC2)nc1	ZINC001601224417	1168666130	/nfs/dbraw/zinc/66/61/30/1168666130.db2.gz	UWTFJKDFQGBNIL-CYBMUJFWSA-N	-1	0	314.345	0.895	20	30		DCEDRM
O=C([O-])c1nccc(N[C@H](CNC(=O)C#CC2CC2)C2CC2)n1	ZINC001601223396	1168666473	/nfs/dbraw/zinc/66/64/73/1168666473.db2.gz	GDKJSFXUZIPGLU-GFCCVEGCSA-N	-1	0	314.345	0.317	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001602671339	1169155306	/nfs/dbraw/zinc/15/53/06/1169155306.db2.gz	RGOXMFFHCZFTAO-LBPRGKRZSA-N	-1	0	317.345	0.963	20	30		DCEDRM
C#C[C@H](NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)[C@@H]1CCCO1	ZINC001602673768	1169156202	/nfs/dbraw/zinc/15/62/02/1169156202.db2.gz	JORZVWCPVXHIJO-WFGGJUAMSA-N	-1	0	322.361	0.300	20	30		DCEDRM
C#CC1(O)CCN(C(=O)CCCn2ccc(C(=O)[O-])n2)CC1	ZINC001602676566	1169156904	/nfs/dbraw/zinc/15/69/04/1169156904.db2.gz	BFOHNHGSWYTYFC-UHFFFAOYSA-N	-1	0	305.334	0.348	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)C1	ZINC001602679367	1169157350	/nfs/dbraw/zinc/15/73/50/1169157350.db2.gz	WQSFPBHOPRVCLM-UHFFFAOYSA-N	-1	0	304.277	0.436	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001602701528	1169165993	/nfs/dbraw/zinc/16/59/93/1169165993.db2.gz	MLAQWGAXFCJJOO-LLVKDONJSA-N	-1	0	302.334	0.413	20	30		DCEDRM
C#CCn1ccc(CN(CC)[C@H]2CCN(CCC(=O)[O-])C2=O)n1	ZINC001602738352	1169175955	/nfs/dbraw/zinc/17/59/55/1169175955.db2.gz	WHRKOVMQWMATEL-AWEZNQCLSA-N	-1	0	318.377	0.414	20	30		DCEDRM
C=C(Br)CNC(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001602744970	1169177549	/nfs/dbraw/zinc/17/75/49/1169177549.db2.gz	UVIXTSTVXKDNFE-UHFFFAOYSA-N	-1	0	322.159	0.175	20	30		DCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC001602750754	1169179648	/nfs/dbraw/zinc/17/96/48/1169179648.db2.gz	XDSPWBOTPABISX-GFCCVEGCSA-N	-1	0	313.375	0.919	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1	ZINC001602776687	1169182698	/nfs/dbraw/zinc/18/26/98/1169182698.db2.gz	USMDMLFIESFMHN-GFCCVEGCSA-N	-1	0	308.338	0.355	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(CCc2cnccn2)CC1	ZINC001602777721	1169182723	/nfs/dbraw/zinc/18/27/23/1169182723.db2.gz	BSQPYFSJDXDAJP-UHFFFAOYSA-N	-1	0	318.377	0.584	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001602810319	1169186730	/nfs/dbraw/zinc/18/67/30/1169186730.db2.gz	XNDBZXAZXQROEH-NHYWBVRUSA-N	-1	0	315.366	0.938	20	30		DCEDRM
C=CC(C)(C)C(=O)NC/C=C\CNc1ccnc(C(=O)[O-])n1	ZINC001602805634	1169187088	/nfs/dbraw/zinc/18/70/88/1169187088.db2.gz	DNGPWHLAAHTASG-WAYWQWQTSA-N	-1	0	304.350	0.893	20	30		DCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC001602816797	1169187629	/nfs/dbraw/zinc/18/76/29/1169187629.db2.gz	QDUJPAUMSHAHFK-VIFPVBQESA-N	-1	0	315.347	0.873	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001602837311	1169190803	/nfs/dbraw/zinc/19/08/03/1169190803.db2.gz	LQVQDHKVIRMWII-LLVKDONJSA-N	-1	0	320.345	0.933	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001602842359	1169192351	/nfs/dbraw/zinc/19/23/51/1169192351.db2.gz	HQDAKBDPTBRWJC-SNVBAGLBSA-N	-1	0	322.317	0.385	20	30		DCEDRM
C=CCN1CC[C@H](OC(=O)c2csc(-c3nn[nH]n3)c2)C1=O	ZINC001602862963	1169193814	/nfs/dbraw/zinc/19/38/14/1169193814.db2.gz	NVNAITOTXOCPBC-VIFPVBQESA-N	-1	0	319.346	0.872	20	30		DCEDRM
C=CCCC1(CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CCCC1	ZINC001602857219	1169194596	/nfs/dbraw/zinc/19/45/96/1169194596.db2.gz	NXHXHJLQBZZCJS-UHFFFAOYSA-N	-1	0	324.377	0.287	20	30		DCEDRM
C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001602891087	1169200521	/nfs/dbraw/zinc/20/05/21/1169200521.db2.gz	WGDWAUVEAIPKHV-ZDUSSCGKSA-N	-1	0	322.336	0.783	20	30		DCEDRM
C=CCOCC(=O)NC1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001602906917	1169201494	/nfs/dbraw/zinc/20/14/94/1169201494.db2.gz	SAXVFLMBAGQZDP-UHFFFAOYSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)C(=O)OC	ZINC001602912730	1169203016	/nfs/dbraw/zinc/20/30/16/1169203016.db2.gz	BPYIFGQGRWDMLA-ZRQQLDRUSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCn2c(C)ncc2C1)C(=O)[O-]	ZINC001602910340	1169203042	/nfs/dbraw/zinc/20/30/42/1169203042.db2.gz	VTUMOBQBOJQFCE-YPMHNXCESA-N	-1	0	307.350	0.526	20	30		DCEDRM
C=CCOCCCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001602915461	1169204824	/nfs/dbraw/zinc/20/48/24/1169204824.db2.gz	NOZRHUSRSPIJDF-UHFFFAOYSA-N	-1	0	303.340	0.287	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(-n2ccnn2)c1)C(=O)[O-]	ZINC001602913290	1169205009	/nfs/dbraw/zinc/20/50/09/1169205009.db2.gz	MZZVNJOPPRFTDG-CYBMUJFWSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC001602924674	1169208880	/nfs/dbraw/zinc/20/88/80/1169208880.db2.gz	AJJIIXJRGDQXJB-UHFFFAOYSA-N	-1	0	315.391	0.739	20	30		DCEDRM
C=CCn1c([C@@H]2CC=NO2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602932279	1169210481	/nfs/dbraw/zinc/21/04/81/1169210481.db2.gz	NHFMKMYKWXMEGR-UWVGGRQHSA-N	-1	0	307.310	0.201	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001603129460	1169250906	/nfs/dbraw/zinc/25/09/06/1169250906.db2.gz	HOSYJEZODJMCTH-UWVGGRQHSA-N	-1	0	303.322	0.277	20	30		DCEDRM
C[C@H](C(=O)N1CCc2cc(C(=O)[O-])ccc21)n1cnc(C#N)n1	ZINC001603148352	1169254347	/nfs/dbraw/zinc/25/43/47/1169254347.db2.gz	NYPMYGMLYMRSLY-SECBINFHSA-N	-1	0	311.301	0.998	20	30		DCEDRM
CC(C)C(=O)N1CCC(=NOCc2cn(CC(=O)[O-])nn2)CC1	ZINC001603700846	1169364959	/nfs/dbraw/zinc/36/49/59/1169364959.db2.gz	UDYAKQMZGLNPRZ-UHFFFAOYSA-N	-1	0	323.353	0.514	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC001604059378	1169482862	/nfs/dbraw/zinc/48/28/62/1169482862.db2.gz	FAIXGKDTLKTSQI-LOWVWBTDSA-N	-1	0	315.395	0.794	20	30		DCEDRM
C[C@@]1(CCC(=O)[O-])NC(=O)N(CN(CCC#N)CCC#N)C1=O	ZINC001604571506	1169620912	/nfs/dbraw/zinc/62/09/12/1169620912.db2.gz	LFAGAKKZQKLKHH-AWEZNQCLSA-N	-1	0	321.337	0.249	20	30		DCEDRM
CC[C@@](COC)(NC(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001605051757	1169797166	/nfs/dbraw/zinc/79/71/66/1169797166.db2.gz	ALJDLRGIFQCDOK-INIZCTEOSA-N	-1	0	305.330	0.640	20	30		DCEDRM
CCCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cnc(C#N)cn1	ZINC001605316427	1169893093	/nfs/dbraw/zinc/89/30/93/1169893093.db2.gz	RHONJAMXDHESRA-NEPJUHHUSA-N	-1	0	317.349	0.402	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC001605438367	1169919744	/nfs/dbraw/zinc/91/97/44/1169919744.db2.gz	ZBZMFXAPTFFBSP-QMMMGPOBSA-N	-1	0	311.310	0.261	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NCc1ccc(C(=O)[O-])o1	ZINC001605438619	1169920354	/nfs/dbraw/zinc/92/03/54/1169920354.db2.gz	CHQOQTZVKZYVPO-UHFFFAOYSA-N	-1	0	301.324	0.548	20	30		DCEDRM
CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001605448063	1169924421	/nfs/dbraw/zinc/92/44/21/1169924421.db2.gz	QNACZNHCKPTYME-GHMZBOCLSA-N	-1	0	303.322	0.329	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC[C@@](C)(C#N)C1	ZINC001605506617	1169941991	/nfs/dbraw/zinc/94/19/91/1169941991.db2.gz	HXVXHTYGXZDELI-AWEZNQCLSA-N	-1	0	313.321	0.652	20	30		DCEDRM
Cc1ccc(-c2nn[nH]n2)c(N2C[C@H](C)N(CC#N)[C@@H](C)C2)n1	ZINC001605764452	1169997440	/nfs/dbraw/zinc/99/74/40/1169997440.db2.gz	RQEHUSUCYAZKMF-RYUDHWBXSA-N	-1	0	312.381	0.993	20	30		DCEDRM
CCc1nnc(N2CCC(O)(C(=O)[O-])CC2)c(C#N)c1CC	ZINC001605872814	1170018689	/nfs/dbraw/zinc/01/86/89/1170018689.db2.gz	VCXOMVBFBUGCAM-UHFFFAOYSA-N	-1	0	304.350	0.889	20	30		DCEDRM
CN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[C@H]1CCC[C@H]1C#N	ZINC001605961084	1170037922	/nfs/dbraw/zinc/03/79/22/1170037922.db2.gz	SOJYSYBQKBNHFH-SRVKXCTJSA-N	-1	0	307.350	0.460	20	30		DCEDRM
Cc1cnccc1CCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001605986393	1170041915	/nfs/dbraw/zinc/04/19/15/1170041915.db2.gz	OSFZDTXECKIOLU-UHFFFAOYSA-N	-1	0	307.321	0.886	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N[C@H](C#N)C(C)C)cc1-c1nn[nH]n1	ZINC001606091993	1170074203	/nfs/dbraw/zinc/07/42/03/1170074203.db2.gz	WOOFACCEVFLWLF-LLVKDONJSA-N	-1	0	321.366	0.397	20	30		DCEDRM
Cn1c(CC#N)nnc1Sc1cc(-c2nn[nH]n2)ncn1	ZINC001606216669	1170118969	/nfs/dbraw/zinc/11/89/69/1170118969.db2.gz	OXTVOEKXAZLOOR-UHFFFAOYSA-N	-1	0	300.311	0.002	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC001606346696	1170164670	/nfs/dbraw/zinc/16/46/70/1170164670.db2.gz	JWIQVKBCCMNCMK-UHFFFAOYSA-N	-1	0	306.274	0.897	20	30		DCEDRM
N#Cc1ncc(NCC(O)(C2CC2)C2CC2)nc1-c1nnn[n-]1	ZINC001606398054	1170183074	/nfs/dbraw/zinc/18/30/74/1170183074.db2.gz	JEDOYHVIEIAYHF-UHFFFAOYSA-N	-1	0	312.337	0.491	20	30		DCEDRM
N#Cc1ncc(NC[C@H](O)c2ccncc2)nc1-c1nnn[n-]1	ZINC001606398117	1170183625	/nfs/dbraw/zinc/18/36/25/1170183625.db2.gz	MTOQKOPVPTWMRU-JTQLQIEISA-N	-1	0	309.293	0.069	20	30		DCEDRM
N#Cc1ncc(N2CCCC[C@@H]2CCO)nc1-c1nnn[n-]1	ZINC001606396962	1170183872	/nfs/dbraw/zinc/18/38/72/1170183872.db2.gz	FDVGQWFIJHOZML-SECBINFHSA-N	-1	0	300.326	0.270	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCO[C@H](C3CC3)C2)nc1-c1nnn[n-]1	ZINC001606397959	1170184193	/nfs/dbraw/zinc/18/41/93/1170184193.db2.gz	FEHXYNXKLIGBTO-KOLCDFICSA-N	-1	0	312.337	0.898	20	30		DCEDRM
N#Cc1ncc(N2CCC(c3ccon3)CC2)nc1-c1nnn[n-]1	ZINC001606397133	1170184211	/nfs/dbraw/zinc/18/42/11/1170184211.db2.gz	ITZAGBHYASUFSI-UHFFFAOYSA-N	-1	0	323.320	0.900	20	30		DCEDRM
N#Cc1ncc(NCC2(C#N)CCOCC2)nc1-c1nnn[n-]1	ZINC001606398347	1170184870	/nfs/dbraw/zinc/18/48/70/1170184870.db2.gz	XMDLGCZGKRYUCF-UHFFFAOYSA-N	-1	0	311.309	0.261	20	30		DCEDRM
COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001606515944	1170225415	/nfs/dbraw/zinc/22/54/15/1170225415.db2.gz	KVIFYXUXNBSJRR-ZETCQYMHSA-N	-1	0	312.303	0.096	20	30		DCEDRM
COC[C@](C)(NCC(=O)NCc1cccc(C#N)c1)C(=O)[O-]	ZINC001606791592	1170291011	/nfs/dbraw/zinc/29/10/11/1170291011.db2.gz	SLFPFNDCIYYFEA-HNNXBMFYSA-N	-1	0	305.334	0.254	20	30		DCEDRM
COCc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H](C)C#N)c1	ZINC001606940913	1170335157	/nfs/dbraw/zinc/33/51/57/1170335157.db2.gz	OEDOSZYBVCNZDY-SECBINFHSA-N	-1	0	312.347	0.969	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)cc1	ZINC001606996074	1170348739	/nfs/dbraw/zinc/34/87/39/1170348739.db2.gz	KDZOGPKSROYJKC-GWCFXTLKSA-N	-1	0	306.318	0.981	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)NC1(C(=O)[O-])CC(CO)C1	ZINC001607065318	1170376727	/nfs/dbraw/zinc/37/67/27/1170376727.db2.gz	MLIAOIIBHAINCH-UHFFFAOYSA-N	-1	0	304.302	0.522	20	30		DCEDRM
COc1ccc(OC)c(NC(=O)C(=O)N(CC#N)CC(=O)[O-])c1	ZINC001607278431	1170422526	/nfs/dbraw/zinc/42/25/26/1170422526.db2.gz	CKJVQEQMCNHYKF-UHFFFAOYSA-N	-1	0	321.289	0.079	20	30		DCEDRM
C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C(=O)[O-]	ZINC001607423958	1170449829	/nfs/dbraw/zinc/44/98/29/1170449829.db2.gz	JROBXECCSXNNOH-SWHYSGLUSA-N	-1	0	317.345	0.477	20	30		DCEDRM
C[C@H]1CN(C(=O)Nc2cccc(CC#N)n2)C[C@@H](C(=O)[O-])O1	ZINC001607473663	1170462722	/nfs/dbraw/zinc/46/27/22/1170462722.db2.gz	HLRUZQFHUAJMLC-ONGXEEELSA-N	-1	0	304.306	0.853	20	30		DCEDRM
Cc1cc(C#N)ccc1COC(=O)Cn1cc(C(=O)[O-])nn1	ZINC001607565619	1170477216	/nfs/dbraw/zinc/47/72/16/1170477216.db2.gz	BDVNZIZGKOANQT-UHFFFAOYSA-N	-1	0	300.274	0.900	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-]	ZINC001607724402	1170500311	/nfs/dbraw/zinc/50/03/11/1170500311.db2.gz	MJRLNNDCKPDHMD-LLVKDONJSA-N	-1	0	312.347	0.369	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)NCCn1cnc(C#N)n1	ZINC001607743325	1170502109	/nfs/dbraw/zinc/50/21/09/1170502109.db2.gz	HMQUZYBCROWBSR-UHFFFAOYSA-N	-1	0	314.305	0.978	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001607916958	1170524336	/nfs/dbraw/zinc/52/43/36/1170524336.db2.gz	NXKVWEWIUOJCFQ-UHFFFAOYSA-N	-1	0	312.351	0.108	20	30		DCEDRM
Cc1nc(C#N)cc(N2CCC3(CC(C(=O)[O-])=NO3)CC2)n1	ZINC001607943254	1170530212	/nfs/dbraw/zinc/53/02/12/1170530212.db2.gz	JXZDMAJEIMIAJJ-UHFFFAOYSA-N	-1	0	301.306	0.857	20	30		DCEDRM
Cc1oc(CNC(=O)NCCn2cnc(C#N)n2)cc1C(=O)[O-]	ZINC001608051477	1170559228	/nfs/dbraw/zinc/55/92/28/1170559228.db2.gz	UZRLIPXSIHIZCV-UHFFFAOYSA-N	-1	0	318.293	0.249	20	30		DCEDRM
Cn1c(CO)nc2cc(C(=O)N(CC#N)CCC(=O)[O-])ccc21	ZINC001608089700	1170568313	/nfs/dbraw/zinc/56/83/13/1170568313.db2.gz	JYWMJNKZYFAOBG-UHFFFAOYSA-N	-1	0	316.317	0.506	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCC[C@H]2CCO)CC1	ZINC001608171052	1170607991	/nfs/dbraw/zinc/60/79/91/1170607991.db2.gz	DVZPWQNNCMZNGN-RYUDHWBXSA-N	-1	0	309.366	0.937	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCC[C@@H]2CCO)CC1	ZINC001608171053	1170608363	/nfs/dbraw/zinc/60/83/63/1170608363.db2.gz	DVZPWQNNCMZNGN-VXGBXAGGSA-N	-1	0	309.366	0.937	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001608183334	1170611742	/nfs/dbraw/zinc/61/17/42/1170611742.db2.gz	ZXEKRIJEYYPNSH-NEPJUHHUSA-N	-1	0	321.333	0.686	20	30		DCEDRM
N#Cc1c(CN2CCC(S(N)(=O)=O)CC2)cccc1C(=O)[O-]	ZINC001608190950	1170612806	/nfs/dbraw/zinc/61/28/06/1170612806.db2.gz	FIJVQTTUZCLZDU-UHFFFAOYSA-N	-1	0	323.374	0.509	20	30		DCEDRM
N#CCN(CCC(=O)[O-])CC(=O)NCCOc1cccc(F)c1	ZINC001608186638	1170613016	/nfs/dbraw/zinc/61/30/16/1170613016.db2.gz	UEHFZQXGEWAIQB-UHFFFAOYSA-N	-1	0	323.324	0.621	20	30		DCEDRM
N#CCNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC001608187988	1170613067	/nfs/dbraw/zinc/61/30/67/1170613067.db2.gz	IYNXAWCMEQAVLA-LBPRGKRZSA-N	-1	0	319.317	0.786	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	ZINC001608198104	1170614200	/nfs/dbraw/zinc/61/42/00/1170614200.db2.gz	MQMHWWMGVQHXNJ-UHFFFAOYSA-N	-1	0	310.306	0.935	20	30		DCEDRM
N#Cc1ccc(N(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C2CC2)cn1	ZINC001608208056	1170616318	/nfs/dbraw/zinc/61/63/18/1170616318.db2.gz	ZYBBYCAMXCHRCE-KBPBESRZSA-N	-1	0	314.345	0.759	20	30		DCEDRM
N#Cc1cnccc1N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001608223110	1170619233	/nfs/dbraw/zinc/61/92/33/1170619233.db2.gz	TUEQZYZBMIHERI-MGAJPHDKSA-N	-1	0	314.345	0.403	20	30		DCEDRM
N#Cc1cnc(NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cn1	ZINC001608223153	1170619490	/nfs/dbraw/zinc/61/94/90/1170619490.db2.gz	VSIIIDJFDNHVJM-VHSXEESVSA-N	-1	0	301.306	0.130	20	30		DCEDRM
N#Cc1cnc(NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CCC2)cn1	ZINC001608223224	1170619699	/nfs/dbraw/zinc/61/96/99/1170619699.db2.gz	WBNDJELSCUXQHS-MNOVXSKESA-N	-1	0	315.333	0.520	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CC[C@H]2CS(=O)(=O)C[C@H]2C1	ZINC001608223347	1170619748	/nfs/dbraw/zinc/61/97/48/1170619748.db2.gz	AMMREKPAHRFVLA-VHSXEESVSA-N	-1	0	321.358	0.522	20	30		DCEDRM
O=C([O-])[C@@H]1CC[C@H](C(=O)N=C2NS(=O)(=O)c3ccccc32)C1	ZINC001608407878	1170672351	/nfs/dbraw/zinc/67/23/51/1170672351.db2.gz	HMABVLLMVHRSTM-DTWKUNHWSA-N	-1	0	322.342	0.753	20	30		DCEDRM
C[C@H](C(=O)NCc1ccc(C#N)cc1)n1cnc(-c2nnn[n-]2)n1	ZINC001609070142	1170799219	/nfs/dbraw/zinc/79/92/19/1170799219.db2.gz	JGQRVRBVPYORIE-SECBINFHSA-N	-1	0	323.320	0.207	20	30		DCEDRM
C#CCC(CC#C)C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1	ZINC001609076527	1170801113	/nfs/dbraw/zinc/80/11/13/1170801113.db2.gz	PCKZCGYKYNGUSU-UHFFFAOYSA-N	-1	0	305.330	0.516	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)Cc1cc(C(C)(C)C)on1)C(=O)[O-]	ZINC001609089684	1170804457	/nfs/dbraw/zinc/80/44/57/1170804457.db2.gz	QSBIOBIOLNMCFM-JTQLQIEISA-N	-1	0	314.363	0.868	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cn(-c2ccc(F)cc2C)nn1)C(=O)[O-]	ZINC001609089259	1170804997	/nfs/dbraw/zinc/80/49/97/1170804997.db2.gz	JLYFTMAAGLERIY-LLVKDONJSA-N	-1	0	316.292	0.921	20	30		DCEDRM
C#CCN(C(=O)c1cc(C(=O)[O-])co1)[C@@H]1CCS(=O)(=O)C1	ZINC001609137509	1170824535	/nfs/dbraw/zinc/82/45/35/1170824535.db2.gz	ZZBJZTWKJOIZKG-SNVBAGLBSA-N	-1	0	311.315	0.240	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1	ZINC001609137363	1170825218	/nfs/dbraw/zinc/82/52/18/1170825218.db2.gz	OYOFQJURSNQLLD-ZIAGYGMSSA-N	-1	0	314.341	0.405	20	30		DCEDRM
CCCCCCCC(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001609209136	1170870147	/nfs/dbraw/zinc/87/01/47/1170870147.db2.gz	NHSFRDSYCAMBKL-UHFFFAOYSA-N	-1	0	306.374	0.935	20	30		DCEDRM
C=C[C@@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)C(=O)OC	ZINC001609272019	1170905464	/nfs/dbraw/zinc/90/54/64/1170905464.db2.gz	GLPYEOIMVBXKCD-ZJUUUORDSA-N	-1	0	324.358	0.869	20	30		DCEDRM
C=C[C@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)C(=O)OC	ZINC001609272018	1170905998	/nfs/dbraw/zinc/90/59/98/1170905998.db2.gz	GLPYEOIMVBXKCD-VHSXEESVSA-N	-1	0	324.358	0.869	20	30		DCEDRM
C=CCC(F)(F)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC001609320285	1170934960	/nfs/dbraw/zinc/93/49/60/1170934960.db2.gz	DUVJPVUEYRKYCQ-VIFPVBQESA-N	-1	0	306.309	0.930	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)nn1	ZINC001609345977	1170948279	/nfs/dbraw/zinc/94/82/79/1170948279.db2.gz	UKOMCYHYAIHMIU-GFCCVEGCSA-N	-1	0	308.338	0.152	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)[O-]	ZINC001609442703	1170978671	/nfs/dbraw/zinc/97/86/71/1170978671.db2.gz	BSOGIOALADYHDE-CYBMUJFWSA-N	-1	0	316.313	0.914	20	30		DCEDRM
C=CCn1cc(C(=O)N2[C@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)nn1	ZINC001609484994	1170996049	/nfs/dbraw/zinc/99/60/49/1170996049.db2.gz	AIHFBVWWDHIATH-LPTSXCQYSA-N	-1	0	320.349	0.699	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001609631246	1171055394	/nfs/dbraw/zinc/05/53/94/1171055394.db2.gz	VJJZERIVSWTZJN-JTQLQIEISA-N	-1	0	303.318	0.870	20	30		DCEDRM
C[C@]1(CCC(=O)[O-])NC(=O)N(CN2CCC(C#N)CC2)C1=O	ZINC001609820584	1171095071	/nfs/dbraw/zinc/09/50/71/1171095071.db2.gz	BOQCEWLDHGKUAI-CQSZACIVSA-N	-1	0	308.338	0.355	20	30		DCEDRM
CC1CC(C#N)(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1	ZINC001609839551	1171101160	/nfs/dbraw/zinc/10/11/60/1171101160.db2.gz	LFFRUVYFVXSMKG-XIRUVYRFSA-N	-1	0	303.322	0.690	20	30		DCEDRM
CCN1CCO[C@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC001610007687	1171136812	/nfs/dbraw/zinc/13/68/12/1171136812.db2.gz	DXVYAFIDPUOHSL-KBPBESRZSA-N	-1	0	318.329	0.948	20	30		DCEDRM
CN(CC(F)(F)F)C(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001610111574	1171160935	/nfs/dbraw/zinc/16/09/35/1171160935.db2.gz	SGBZZSFRHRENBO-UHFFFAOYSA-N	-1	0	317.223	0.439	20	30		DCEDRM
COCC[C@H](NC(=O)Cc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001610255507	1171210016	/nfs/dbraw/zinc/21/00/16/1171210016.db2.gz	KFPBIVOSEYBJIL-ZDUSSCGKSA-N	-1	0	306.318	0.737	20	30		DCEDRM
CON=CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1OC	ZINC001610277579	1171215335	/nfs/dbraw/zinc/21/53/35/1171215335.db2.gz	MUWMPSTZSFDYHZ-NSHDSACASA-N	-1	0	310.306	0.968	20	30		DCEDRM
COc1cc(NC(=O)C(=O)NC[C@@H](C)C#N)ccc1C(=O)[O-]	ZINC001610300825	1171218616	/nfs/dbraw/zinc/21/86/16/1171218616.db2.gz	XMPFBJSGWBNGMD-QMMMGPOBSA-N	-1	0	305.290	0.608	20	30		DCEDRM
Cc1cc(NC(=O)N2CCC(O)(C(=O)[O-])CC2)nn1CCC#N	ZINC001610472925	1171241224	/nfs/dbraw/zinc/24/12/24/1171241224.db2.gz	WFZDBVNAKDWEJF-UHFFFAOYSA-N	-1	0	321.337	0.549	20	30		DCEDRM
Cc1oc(CNC(=O)[C@H](C)n2cnc(C#N)n2)cc1C(=O)[O-]	ZINC001610583409	1171260200	/nfs/dbraw/zinc/26/02/00/1171260200.db2.gz	GUPQZYBLKXMUDL-ZETCQYMHSA-N	-1	0	303.278	0.627	20	30		DCEDRM
Cn1nccc1[C@H](NCC(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC001610615694	1171269169	/nfs/dbraw/zinc/26/91/69/1171269169.db2.gz	FFBPEJTYZPEFAS-NSHDSACASA-N	-1	0	319.346	0.707	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1	ZINC001610619777	1171270207	/nfs/dbraw/zinc/27/02/07/1171270207.db2.gz	RFUMCGNFBUSBQP-CQSZACIVSA-N	-1	0	323.255	0.927	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(F)c1	ZINC001610627027	1171272446	/nfs/dbraw/zinc/27/24/46/1171272446.db2.gz	HWLABBJSNBWDPC-PJXYFTJBSA-N	-1	0	324.333	0.790	20	30		DCEDRM
N#Cc1cccc(CC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1	ZINC001610631684	1171272491	/nfs/dbraw/zinc/27/24/91/1171272491.db2.gz	HYGIUUGGGIZEFF-CYBMUJFWSA-N	-1	0	315.329	0.293	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H]2CC(=O)[O-])nc1	ZINC001610630160	1171273012	/nfs/dbraw/zinc/27/30/12/1171273012.db2.gz	OEESGSGWSLDUIU-GFCCVEGCSA-N	-1	0	323.374	0.666	20	30		DCEDRM
O=C([O-])c1ccc(O)c(C=NNCCCN2CCOCC2)c1	ZINC001610836376	1171335665	/nfs/dbraw/zinc/33/56/65/1171335665.db2.gz	KIZCFMHLNGLJET-UHFFFAOYSA-N	-1	0	307.350	0.736	20	30		DCEDRM
O=C(Nc1cnn(-c2ccccn2)c1)N[C@@H]1CCCN(O)C1=O	ZINC001623134179	1171433470	/nfs/dbraw/zinc/43/34/70/1171433470.db2.gz	UUJTXRUUSCXPLK-LLVKDONJSA-N	-1	0	316.321	0.769	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc(Cl)cc2O)c(=O)[n-]c1=O	ZINC001632239549	1171614916	/nfs/dbraw/zinc/61/49/16/1171614916.db2.gz	POQDJVJZRMMHHB-UHFFFAOYSA-N	-1	0	320.692	0.818	20	30		DCEDRM
N#Cc1ccc(Cn2cc(NC(=O)CCc3nnn[n-]3)cn2)cc1	ZINC001632565949	1171618931	/nfs/dbraw/zinc/61/89/31/1171618931.db2.gz	RBVRXHJUEZMDPN-UHFFFAOYSA-N	-1	0	322.332	0.887	20	30		DCEDRM
Cc1nc(SCC(=O)[N-]OCC(N)=O)c(C#N)c(C)c1C	ZINC001632921237	1171627434	/nfs/dbraw/zinc/62/74/34/1171627434.db2.gz	KQXLTDJPSHYIEW-UHFFFAOYSA-N	-1	0	308.363	0.504	20	30		DCEDRM
C=CC[C@H](Cc1ccccc1)NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001637847789	1171779900	/nfs/dbraw/zinc/77/99/00/1171779900.db2.gz	AOZHYRJXAMYBCC-GFCCVEGCSA-N	-1	0	302.334	0.993	20	30		DCEDRM
N#Cc1cn(C2CN(c3ccc([N+](=O)[O-])cc3)C2)c(=O)[n-]c1=O	ZINC001640165734	1171868496	/nfs/dbraw/zinc/86/84/96/1171868496.db2.gz	UQAJNWJBYYYCKI-UHFFFAOYSA-N	-1	0	313.273	0.790	20	30		DCEDRM
N#Cc1cn(C2CN(c3ccc([N+](=O)[O-])cn3)C2)c(=O)[n-]c1=O	ZINC001640165640	1171868825	/nfs/dbraw/zinc/86/88/25/1171868825.db2.gz	QDYPWDWXFRAJRZ-UHFFFAOYSA-N	-1	0	314.261	0.185	20	30		DCEDRM
C/C(=C\C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)C	ZINC001641034237	1171904071	/nfs/dbraw/zinc/90/40/71/1171904071.db2.gz	WGNOSUUKLFPLCF-JXMROGBWSA-N	-1	0	304.350	0.929	20	30		DCEDRM
CCn1ncn([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c1=O	ZINC001641711837	1171925493	/nfs/dbraw/zinc/92/54/93/1171925493.db2.gz	LIYMPNBXHZCGFF-UHFFFAOYSA-N	-1	0	324.300	0.975	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)C(=O)OC	ZINC001642415012	1171943987	/nfs/dbraw/zinc/94/39/87/1171943987.db2.gz	JOIBGMULGXJOFL-LLVKDONJSA-N	-1	0	315.285	0.325	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)CCc1cnccn1	ZINC001645752696	1172124430	/nfs/dbraw/zinc/12/44/30/1172124430.db2.gz	QPTLCAXDLORGCN-UHFFFAOYSA-N	-1	0	316.342	0.786	20	30		DCEDRM
CN(C)S(=O)(=O)c1cc(C([O-])=C(C#N)c2ccncn2)co1	ZINC001646848673	1172562168	/nfs/dbraw/zinc/56/21/68/1172562168.db2.gz	ICKRHBLAYDIYOO-SNVBAGLBSA-N	-1	0	320.330	0.810	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCc2nc3ccccc3[nH]2)c(C#N)c1=O	ZINC001651431902	1173749512	/nfs/dbraw/zinc/74/95/12/1173749512.db2.gz	OSCFBJCEGQQDOU-UHFFFAOYSA-N	-1	0	324.344	0.866	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cc(Cl)ccc2O)c(C#N)c1=O	ZINC001652019939	1173760634	/nfs/dbraw/zinc/76/06/34/1173760634.db2.gz	PEQYZVATLHEAHM-UHFFFAOYSA-N	-1	0	306.709	0.916	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001683313381	1175957495	/nfs/dbraw/zinc/95/74/95/1175957495.db2.gz	JYDBGYFFENKKIP-SRVKXCTJSA-N	-1	0	321.381	0.990	20	30		DCEDRM
C=CCOCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001690494712	1177255616	/nfs/dbraw/zinc/25/56/16/1177255616.db2.gz	IPCXIONVKQPWTD-RYUDHWBXSA-N	-1	0	323.397	0.430	20	30		DCEDRM
N#CCNC[C@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001690751153	1177318071	/nfs/dbraw/zinc/31/80/71/1177318071.db2.gz	HOSOSKGMPRPNNT-SECBINFHSA-N	-1	0	301.306	0.504	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@@H]2CCN(CC#N)C2)cc1=O	ZINC001713531575	1180906172	/nfs/dbraw/zinc/90/61/72/1180906172.db2.gz	CDNUPSNSENEEGZ-ZDUSSCGKSA-N	-1	0	319.409	0.337	20	30		DCEDRM
C=CCC(C)(C)C(=O)N(C)CCN(C)Cc1nc(=O)n(C)[nH]1	ZINC001715959910	1182119702	/nfs/dbraw/zinc/11/97/02/1182119702.db2.gz	ZRPWKTJSPHYPKG-UHFFFAOYSA-N	-1	0	309.414	0.601	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001725306370	1184762706	/nfs/dbraw/zinc/76/27/06/1184762706.db2.gz	KIPCWQIVOGUPJV-CNDDSTCGSA-N	-1	0	317.393	0.354	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C	ZINC001725618205	1184914068	/nfs/dbraw/zinc/91/40/68/1184914068.db2.gz	DUDQCWSCNFJIDM-NWDGAFQWSA-N	-1	0	321.381	0.019	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001733700074	1186404062	/nfs/dbraw/zinc/40/40/62/1186404062.db2.gz	AEQBTCRRWHJYTD-LLVKDONJSA-N	-1	0	309.370	0.184	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1	ZINC001733895200	1186489870	/nfs/dbraw/zinc/48/98/70/1186489870.db2.gz	SSQBHYQRNYNQQT-RYUDHWBXSA-N	-1	0	305.382	0.639	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1	ZINC001733895201	1186490245	/nfs/dbraw/zinc/49/02/45/1186490245.db2.gz	SSQBHYQRNYNQQT-VXGBXAGGSA-N	-1	0	305.382	0.639	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)CSCC#N)C2)c1[O-]	ZINC001737470246	1187341838	/nfs/dbraw/zinc/34/18/38/1187341838.db2.gz	XHRNEYIRPMRDIT-DTORHVGOSA-N	-1	0	323.378	0.058	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](NC(=O)C#CC(C)C)C[C@H]2C)c1[O-]	ZINC001738952651	1187709415	/nfs/dbraw/zinc/70/94/15/1187709415.db2.gz	WUTAHCINNOYINJ-ZYHUDNBSSA-N	-1	0	318.377	0.802	20	30		DCEDRM
C=CCCOCC(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001759848405	1190317512	/nfs/dbraw/zinc/31/75/12/1190317512.db2.gz	SXZZCKYKPQTXSC-NSHDSACASA-N	-1	0	322.365	0.347	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(C#N)c1=O	ZINC001772116382	1190611279	/nfs/dbraw/zinc/61/12/79/1190611279.db2.gz	YXNBIUDDPIRDSZ-YUTCNCBUSA-N	-1	0	308.341	0.943	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCN(C)c2ncccc2C#N)c1[O-]	ZINC001105361643	747064192	/nfs/dbraw/zinc/06/41/92/747064192.db2.gz	GHORWGJVLVGINO-UHFFFAOYSA-N	-1	0	314.349	0.899	20	30		DCEDRM
COC(=O)Cc1cc(Cl)nc(N[C@@H]2CO[N-]C2=O)c1C#N	ZINC001167511100	747347709	/nfs/dbraw/zinc/34/77/09/747347709.db2.gz	QCTPGVURTRWJJS-MRVPVSSYSA-N	-1	0	310.697	0.164	20	30		DCEDRM
C[C@H]1[C@H](Nc2nc(C#N)ccc2Cl)C(=O)N1S(=O)(=O)[O-]	ZINC001167861306	748445502	/nfs/dbraw/zinc/44/55/02/748445502.db2.gz	JPFPSZPPNBVOIC-XNCJUZBTSA-N	-1	0	316.726	0.421	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCN(C)c2ccnc(C#N)n2)c1[O-]	ZINC001105369101	748568089	/nfs/dbraw/zinc/56/80/89/748568089.db2.gz	PACRXXQYEXDQFL-UHFFFAOYSA-N	-1	0	315.337	0.294	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(O)cc(O)c1	ZINC001225367086	748642986	/nfs/dbraw/zinc/64/29/86/748642986.db2.gz	IPFBRGCGKXSXIN-LBPRGKRZSA-N	-1	0	304.320	0.936	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncncc1Cl	ZINC001226987469	749083400	/nfs/dbraw/zinc/08/34/00/749083400.db2.gz	XPFKGJHMSZZLSD-QMMMGPOBSA-N	-1	0	308.743	0.968	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@H](C)Nc2nccnc2C#N)c1[O-]	ZINC001098985642	750637565	/nfs/dbraw/zinc/63/75/65/750637565.db2.gz	ZCTDFOWSJZTRMQ-QMMMGPOBSA-N	-1	0	315.337	0.706	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)Nc2ccncc2C#N)c1[O-]	ZINC001112990517	762073722	/nfs/dbraw/zinc/07/37/22/762073722.db2.gz	GZPJNITVQWIOBL-DTWKUNHWSA-N	-1	0	314.349	0.731	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCNc2ccncc2C#N)c1[O-]	ZINC001106283094	751084588	/nfs/dbraw/zinc/08/45/88/751084588.db2.gz	IFBYMJKTEBDANV-SECBINFHSA-N	-1	0	314.349	0.733	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCNc2ccc(C#N)nn2)c1[O-]	ZINC001106283736	751086375	/nfs/dbraw/zinc/08/63/75/751086375.db2.gz	NVSMIDFFCIMSME-QMMMGPOBSA-N	-1	0	315.337	0.706	20	30		DCEDRM
C#CCCN1CCO[C@](C)(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001107872531	752458781	/nfs/dbraw/zinc/45/87/81/752458781.db2.gz	QZTNSGBXDTYBIY-OAHLLOKOSA-N	-1	0	306.366	0.268	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001071908851	762218230	/nfs/dbraw/zinc/21/82/30/762218230.db2.gz	COLMYNRLXXPDDX-BXKDBHETSA-N	-1	0	316.361	0.414	20	30		DCEDRM
CO[C@H](CNc1cnc(-c2nn[nH]n2)c(C#N)n1)C(F)(F)F	ZINC001579595014	1165354462	/nfs/dbraw/zinc/35/44/62/1165354462.db2.gz	VMLJXKXBUJDXNE-ZCFIWIBFSA-N	-1	0	314.231	0.518	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CN(CC#N)CCC2(F)F)c1[O-]	ZINC001046928369	754023019	/nfs/dbraw/zinc/02/30/19/754023019.db2.gz	QJJNFPGTXOXXDU-SECBINFHSA-N	-1	0	313.308	0.634	20	30		DCEDRM
C[C@@]1(Br)C[C@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001118856143	757086836	/nfs/dbraw/zinc/08/68/36/757086836.db2.gz	QGKLGYPPDKXLEX-IONNQARKSA-N	-1	0	309.185	0.910	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001050463129	757731452	/nfs/dbraw/zinc/73/14/52/757731452.db2.gz	JFMAJGIRTVDWPY-SNVBAGLBSA-N	-1	0	304.354	0.094	20	30		DCEDRM
Cc1nc(N2CCC[C@H](NC(=O)c3cn[nH]n3)C2)ccc1C#N	ZINC001058268249	759833474	/nfs/dbraw/zinc/83/34/74/759833474.db2.gz	DURANUYRVIGFOG-LBPRGKRZSA-N	-1	0	311.349	0.779	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1Nc1cccc(S(=O)(=O)[O-])n1	ZINC001169965169	760941421	/nfs/dbraw/zinc/94/14/21/760941421.db2.gz	MADPBHDTSZDOIT-UHFFFAOYSA-N	-1	0	323.290	0.755	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1ccc(N)nn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170742746	765453482	/nfs/dbraw/zinc/45/34/82/765453482.db2.gz	OJBIBOWSIQKEFV-AMIZOPFISA-N	-1	0	323.378	0.024	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1ccn(C)n1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170744309	765461433	/nfs/dbraw/zinc/46/14/33/765461433.db2.gz	UPAXNNREDPQXRW-NOZJJQNGSA-N	-1	0	310.379	0.385	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H](C)Nc2nccnc2C#N)c1[O-]	ZINC001115671568	765787263	/nfs/dbraw/zinc/78/72/63/765787263.db2.gz	QRGISIBUDMMABF-QMMMGPOBSA-N	-1	0	315.337	0.658	20	30		DCEDRM
C=CC[C@H](NC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)C(=O)[O-]	ZINC001116887870	765924119	/nfs/dbraw/zinc/92/41/19/765924119.db2.gz	LZPIDDYELALDNW-AXFHLTTASA-N	-1	0	318.395	0.671	20	30		DCEDRM
COC(=O)c1ccc(C(=N)Nc2ccc(C(=O)[O-])nn2)cc1	ZINC001170988745	766365120	/nfs/dbraw/zinc/36/51/20/766365120.db2.gz	USYYEYJOUOCJRE-UHFFFAOYSA-N	-1	0	300.274	0.998	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(Nc3ccnc(C#N)n3)CC2)c1[O-]	ZINC001110108421	766587452	/nfs/dbraw/zinc/58/74/52/766587452.db2.gz	SVRMCIIVDIKDHR-UHFFFAOYSA-N	-1	0	313.321	0.460	20	30		DCEDRM
C=C(C(=O)NC(=N)SCCS(=O)(=O)[O-])C(F)(F)F	ZINC001144213525	766827836	/nfs/dbraw/zinc/82/78/36/766827836.db2.gz	SPBLWMNBYUJQKG-UHFFFAOYSA-N	-1	0	306.287	0.777	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccnn1C1CCOCC1	ZINC001120994712	767346243	/nfs/dbraw/zinc/34/62/43/767346243.db2.gz	MHMGVRGVUCVDQU-UHFFFAOYSA-N	-1	0	308.338	0.797	20	30		DCEDRM
C#CCCN(CCOC)c1nnc(-c2c[n-]n(CC)c2=O)n1C	ZINC001121523080	767585637	/nfs/dbraw/zinc/58/56/37/767585637.db2.gz	GMDPMKXPZJPWGI-UHFFFAOYSA-N	-1	0	318.381	0.880	20	30		DCEDRM
COCCn1ncc(C([O-])=C(C#N)C(=O)N2CCCC2)c1C	ZINC001122427866	767800877	/nfs/dbraw/zinc/80/08/77/767800877.db2.gz	ORLYLLBGAZILKU-LBPRGKRZSA-N	-1	0	304.350	0.783	20	30		DCEDRM
N#Cc1cccnc1-n1cc(NC(=O)CCc2nnn[n-]2)cn1	ZINC001138095222	768397535	/nfs/dbraw/zinc/39/75/35/768397535.db2.gz	NHOOVBTVTCAIJG-UHFFFAOYSA-N	-1	0	309.293	0.223	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C(=O)OC	ZINC001177964313	770580069	/nfs/dbraw/zinc/58/00/69/770580069.db2.gz	HFFUGVXBOYAWIF-NSHDSACASA-N	-1	0	318.333	0.650	20	30		DCEDRM
C#CCC1(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CCC1	ZINC001156395775	770805130	/nfs/dbraw/zinc/80/51/30/770805130.db2.gz	JEAHNZRNADTMQF-UHFFFAOYSA-N	-1	0	312.329	0.942	20	30		DCEDRM
N#C[C@H](Cc1ccc(O)cc1)C(=O)NCC(=O)CCC(=O)[O-]	ZINC001183612829	771672666	/nfs/dbraw/zinc/67/26/66/771672666.db2.gz	IOCCTSNLBZMAOK-NSHDSACASA-N	-1	0	304.302	0.625	20	30		DCEDRM
N#C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1SC(=O)[N-]C1=O	ZINC001183615908	771677380	/nfs/dbraw/zinc/67/73/80/771677380.db2.gz	ITAAEWPIJARXIW-PELKAZGASA-N	-1	0	305.315	0.500	20	30		DCEDRM
CCOC(=O)c1sc(S(=O)(=O)[N-]C2(C#N)CC2)nc1C	ZINC001184976049	771848176	/nfs/dbraw/zinc/84/81/76/771848176.db2.gz	DPPLOUWZAKHDSL-UHFFFAOYSA-N	-1	0	315.376	0.963	20	30		DCEDRM
CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H](C#N)C(N)=O)n1	ZINC001159468953	771915415	/nfs/dbraw/zinc/91/54/15/771915415.db2.gz	QPKCLGZPZJJZKZ-XWJORZRISA-N	-1	0	300.731	0.449	20	30		DCEDRM
CCOC(=O)[C@H](C#N)NC(=O)c1cc(F)c(F)c([O-])c1F	ZINC001186797443	772090929	/nfs/dbraw/zinc/09/09/29/772090929.db2.gz	AKBIKYLDBRMMAU-ZETCQYMHSA-N	-1	0	302.208	0.995	20	30		DCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1C#N	ZINC001186897874	772102436	/nfs/dbraw/zinc/10/24/36/772102436.db2.gz	COUDMTHMCLDVCN-UHFFFAOYSA-N	-1	0	317.330	0.587	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C#N)cc1	ZINC001186982607	772119378	/nfs/dbraw/zinc/11/93/78/772119378.db2.gz	SRSYIBPKUFFDGL-ZYHUDNBSSA-N	-1	0	321.358	0.403	20	30		DCEDRM
N#Cc1nccnc1N1CCN(C(=O)c2ccncc2[O-])CC1	ZINC001188629417	772336759	/nfs/dbraw/zinc/33/67/59/772336759.db2.gz	JEWSIXPDSOGIHS-UHFFFAOYSA-N	-1	0	310.317	0.411	20	30		DCEDRM
COc1cc(O)c(C(=O)N(O)C(=N)c2nonc2N)c(OC)c1	ZINC001190110090	772590870	/nfs/dbraw/zinc/59/08/70/772590870.db2.gz	GMNBVQCZIUSBCV-UHFFFAOYSA-N	-1	0	323.265	0.232	20	30		DCEDRM
CC(C)(O)C#Cc1ccc(C(=O)N[C@H]2SC(=O)[N-]C2=O)cc1	ZINC001191187508	772737963	/nfs/dbraw/zinc/73/79/63/772737963.db2.gz	UVJWYFJEPKSKOY-ZDUSSCGKSA-N	-1	0	318.354	0.848	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2nc(Br)ccc2[O-])CCO1	ZINC001191741979	772819503	/nfs/dbraw/zinc/81/95/03/772819503.db2.gz	IKQJRDBOCIPEEM-ZETCQYMHSA-N	-1	0	312.123	0.914	20	30		DCEDRM
COC(=O)[C@H](CS)[N-]S(=O)(=O)C(Cl)(Cl)Cl	ZINC001192043418	772861997	/nfs/dbraw/zinc/86/19/97/772861997.db2.gz	UYCJSKGSJFBXJD-VKHMYHEASA-N	-1	0	316.615	0.705	20	30		DCEDRM
C=CCC1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001166840040	772869043	/nfs/dbraw/zinc/86/90/43/772869043.db2.gz	YQLSMURTTIXGCZ-UHFFFAOYSA-N	-1	0	302.334	0.826	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1CCCCO1	ZINC001192943451	772976602	/nfs/dbraw/zinc/97/66/02/772976602.db2.gz	OVHSMZXWERIJLP-SECBINFHSA-N	-1	0	322.350	0.791	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1c(C#N)cnc2c(C#N)cnn21	ZINC001193106910	773005688	/nfs/dbraw/zinc/00/56/88/773005688.db2.gz	LAEYMRSYEANFNQ-SSDOTTSWSA-N	-1	0	301.291	0.126	20	30		DCEDRM
CCOC(=O)c1nc(Cl)ncc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193107668	773006465	/nfs/dbraw/zinc/00/64/65/773006465.db2.gz	ZOVLZCAYIUWSPN-LURJTMIESA-N	-1	0	318.742	0.960	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@H]2COCCC23OCCO3)ccc1[O-]	ZINC001193515338	773076881	/nfs/dbraw/zinc/07/68/81/773076881.db2.gz	MQCORNYBCQZTDE-ZDUSSCGKSA-N	-1	0	304.302	0.526	20	30		DCEDRM
COCC#CCN1CCCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001195487064	773418429	/nfs/dbraw/zinc/41/84/29/773418429.db2.gz	DCSABYJYIHGEBP-UHFFFAOYSA-N	-1	0	306.366	0.221	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCCCOC(C)=O	ZINC001224721305	775600183	/nfs/dbraw/zinc/60/01/83/775600183.db2.gz	YBUOJQULOXYVLG-LBPRGKRZSA-N	-1	0	310.368	0.805	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC/C(C)=C/C(=O)OCC	ZINC001224784294	775604976	/nfs/dbraw/zinc/60/49/76/775604976.db2.gz	RYUGYKCUIZKXNO-VNKGSWCUSA-N	-1	0	322.379	0.971	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC1(C(=O)OC)CC1	ZINC001224980200	775628105	/nfs/dbraw/zinc/62/81/05/775628105.db2.gz	IRRQKMYQLWCRHQ-JTQLQIEISA-N	-1	0	308.352	0.415	20	30		DCEDRM
CC(=O)OC[C@H](COc1[n-]c(=O)c(F)cc1C#N)OC(C)=O	ZINC001226013626	775756019	/nfs/dbraw/zinc/75/60/19/775756019.db2.gz	OVOBRIQSSKDBCV-SNVBAGLBSA-N	-1	0	312.253	0.672	20	30		DCEDRM
C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1c([O-])c(=O)c1=O	ZINC001226602981	775844577	/nfs/dbraw/zinc/84/45/77/775844577.db2.gz	QAHPDJZEYHEWGJ-SECBINFHSA-N	-1	0	309.318	0.933	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C)nc(=S)[nH]1	ZINC001226798800	775877842	/nfs/dbraw/zinc/87/78/42/775877842.db2.gz	LJXKWZVHRUGAEG-SECBINFHSA-N	-1	0	320.392	0.912	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2nc(=O)[n-]c(=O)[nH]2)C1	ZINC001227568972	775985472	/nfs/dbraw/zinc/98/54/72/775985472.db2.gz	RLBNPMLZHQPQEO-HTQZYQBOSA-N	-1	0	323.309	0.421	20	30		DCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1c[n-]c(C(=O)OC)cc1=O	ZINC001227784472	776007558	/nfs/dbraw/zinc/00/75/58/776007558.db2.gz	VLYLSGMDGYDRKK-SECBINFHSA-N	-1	0	308.290	0.776	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(N(C)C)cnn1	ZINC001229222159	776170724	/nfs/dbraw/zinc/17/07/24/776170724.db2.gz	DVMPVWYLQWNDJS-NSHDSACASA-N	-1	0	317.367	0.380	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCCN(C)C(=O)[C@@H](C)C#N)c1[O-]	ZINC001067199660	776895926	/nfs/dbraw/zinc/89/59/26/776895926.db2.gz	HTTLDEOEOXNEAQ-VIFPVBQESA-N	-1	0	307.354	0.504	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1OS(=O)(=O)CCCC(=O)[O-]	ZINC001600784823	1168295025	/nfs/dbraw/zinc/29/50/25/1168295025.db2.gz	WGCICYGRTJRBSV-UHFFFAOYSA-N	-1	0	315.351	0.987	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1	ZINC001345767262	939089037	/nfs/dbraw/zinc/08/90/37/939089037.db2.gz	LGIOYFNNHOOWON-QMMMGPOBSA-N	-1	0	318.376	0.807	20	30		DCEDRM
C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001266489313	939132972	/nfs/dbraw/zinc/13/29/72/939132972.db2.gz	AJOMPNKDBUAQAV-TXEJJXNPSA-N	-1	0	321.381	0.331	20	30		DCEDRM
N#CCCN(Cc1cccnc1)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000321666828	970795158	/nfs/dbraw/zinc/79/51/58/970795158.db2.gz	XGKDQMRNMVAEIM-UHFFFAOYSA-N	-1	0	314.305	0.314	20	30		DCEDRM
Cc1nc([C@@H]2CCCN2c2[n-]c(=O)n(C)c(=O)c2C#N)[nH]c1C	ZINC001412909897	942134256	/nfs/dbraw/zinc/13/42/56/942134256.db2.gz	HOJKEYNIHCXKJS-NSHDSACASA-N	-1	0	314.349	0.627	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@@H](CNCC#N)C2CC2)cc1=O	ZINC001483572146	942434053	/nfs/dbraw/zinc/43/40/53/942434053.db2.gz	JUZHPEWEXYJNRD-AWEZNQCLSA-N	-1	0	319.409	0.383	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1onc(C(C)(C)C)c1C#N	ZINC001259019056	942451695	/nfs/dbraw/zinc/45/16/95/942451695.db2.gz	RVTUVGDNHVENOT-UHFFFAOYSA-N	-1	0	301.324	0.758	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1	ZINC001413389258	942944730	/nfs/dbraw/zinc/94/47/30/942944730.db2.gz	TYPUAGALEWXYBH-GFCCVEGCSA-N	-1	0	313.321	0.083	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H](C)CCCNc1ccnc(C(=O)[O-])n1	ZINC001604132625	1169501400	/nfs/dbraw/zinc/50/14/00/1169501400.db2.gz	MYECUIBTEWMFRF-ZJUUUORDSA-N	-1	0	305.338	0.453	20	30		DCEDRM
C=C(C)CN1CC2(CN(Cc3ccc(C(=O)[O-])o3)C2)OCC1=O	ZINC001272764338	944216897	/nfs/dbraw/zinc/21/68/97/944216897.db2.gz	PXEOSHWGOYFUIE-UHFFFAOYSA-N	-1	0	320.345	0.967	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@@H]1CNCC#N	ZINC001319132412	945502704	/nfs/dbraw/zinc/50/27/04/945502704.db2.gz	LEPAQWWXVVYMJL-SECBINFHSA-N	-1	0	320.315	0.548	20	30		DCEDRM
C=C[C@H](O)CNc1ccc(S(=O)(=O)[N-]C(=O)OC)cc1	ZINC001253594452	946137610	/nfs/dbraw/zinc/13/76/10/946137610.db2.gz	VAQSFRICBZYSDH-JTQLQIEISA-N	-1	0	300.336	0.690	20	30		DCEDRM
C=CC[C@@H](NC(=O)NCCCOC[C@@H]1CCCO1)C(=O)[O-]	ZINC001321112143	946171751	/nfs/dbraw/zinc/17/17/51/946171751.db2.gz	WAGUBIYERFCFTB-NWDGAFQWSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C#CC[S@@](=O)Cc1cn(Cc2ccccc2C(=O)[O-])nn1	ZINC001254103274	946317047	/nfs/dbraw/zinc/31/70/47/946317047.db2.gz	YEXFRKAHCSEYLL-OAQYLSRUSA-N	-1	0	303.343	0.907	20	30		DCEDRM
O=C([O-])COc1ccccc1C=Nn1c(=O)cn[nH]c1=S	ZINC001321997569	946543618	/nfs/dbraw/zinc/54/36/18/946543618.db2.gz	DWZPYPKSVCUWES-UHFFFAOYSA-N	-1	0	306.303	0.273	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602674689	971242588	/nfs/dbraw/zinc/24/25/88/971242588.db2.gz	AIXCRHSJGCJSQW-BTJONVMOSA-N	-1	0	322.361	0.442	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC1(CC(N)=O)CCCCC1	ZINC001602684077	971278785	/nfs/dbraw/zinc/27/87/85/971278785.db2.gz	PQJXSXGOXUZZOT-UHFFFAOYSA-N	-1	0	309.366	0.542	20	30		DCEDRM
COc1ncnc([N-]S(=O)(=O)c2c(C)noc2C)c1C#N	ZINC001258537101	946848558	/nfs/dbraw/zinc/84/85/58/946848558.db2.gz	WVKSDWYBIPAWCU-UHFFFAOYSA-N	-1	0	309.307	0.763	20	30		DCEDRM
COC(=O)c1sccc1S(=O)(=O)[N-]c1cnc(C#N)nc1	ZINC001259005465	946889843	/nfs/dbraw/zinc/88/98/43/946889843.db2.gz	PJYAXSVHQAYCOL-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(=O)n(-c2ccccc2)n1	ZINC001602691779	971298981	/nfs/dbraw/zinc/29/89/81/971298981.db2.gz	YRKDSDJLXWFWQZ-UHFFFAOYSA-N	-1	0	311.297	0.393	20	30		DCEDRM
Cc1noc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1C(N)=O	ZINC001259411741	946955294	/nfs/dbraw/zinc/95/52/94/946955294.db2.gz	AHNZORYTESKEHF-UHFFFAOYSA-N	-1	0	324.293	0.894	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCc1ccccc1COCC	ZINC001602695437	971307670	/nfs/dbraw/zinc/30/76/70/971307670.db2.gz	GBPBKXLYFKKWMS-UHFFFAOYSA-N	-1	0	318.373	0.859	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1	ZINC001602699023	971314625	/nfs/dbraw/zinc/31/46/25/971314625.db2.gz	BONUIAGZDBYCFU-RYUDHWBXSA-N	-1	0	301.364	0.294	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001410870604	947059609	/nfs/dbraw/zinc/05/96/09/947059609.db2.gz	DWWDFEJBIGVHLI-GPCCPHFNSA-N	-1	0	304.354	0.283	20	30		DCEDRM
N#CC1CC([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)C1	ZINC001260182031	947079372	/nfs/dbraw/zinc/07/93/72/947079372.db2.gz	UHJPCIJUFGMFQT-UHFFFAOYSA-N	-1	0	312.742	0.358	20	30		DCEDRM
C=C(C)C(=O)OCCNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001260191983	947081892	/nfs/dbraw/zinc/08/18/92/947081892.db2.gz	NOJBPGBNAYYFHF-UHFFFAOYSA-N	-1	0	313.331	0.782	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cn(C)nc2C#N)cc1	ZINC001260234145	947089437	/nfs/dbraw/zinc/08/94/37/947089437.db2.gz	IDGZSJNXPGCWHB-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
CC(=O)Nc1ncc(S(=O)(=O)[N-]c2nnccc2C#N)s1	ZINC001260701395	947139207	/nfs/dbraw/zinc/13/92/07/947139207.db2.gz	BCTMCQWIJVVLFK-UHFFFAOYSA-N	-1	0	324.347	0.564	20	30		DCEDRM
C=C(C)CNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001602709769	971347702	/nfs/dbraw/zinc/34/77/02/971347702.db2.gz	JNYZPJYKKMXOOA-NSHDSACASA-N	-1	0	309.366	0.670	20	30		DCEDRM
C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602710242	971350346	/nfs/dbraw/zinc/35/03/46/971350346.db2.gz	RXYZJMSOTVFEQT-VXGBXAGGSA-N	-1	0	322.365	0.853	20	30		DCEDRM
C=C[C@](C)(CC)c1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1	ZINC001602717538	971368405	/nfs/dbraw/zinc/36/84/05/971368405.db2.gz	QJAOJKGSYIKRNY-CQSZACIVSA-N	-1	0	320.305	0.937	20	30		DCEDRM
N#CCOc1cccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)c1	ZINC001324446459	947428609	/nfs/dbraw/zinc/42/86/09/947428609.db2.gz	LURXNNJJSDNVCP-NSHDSACASA-N	-1	0	319.317	0.612	20	30		DCEDRM
C=CCN(Cc1c(C(=O)[O-])cnn1C)[C@H]1CCS(=O)(=O)C1	ZINC001602722642	971387027	/nfs/dbraw/zinc/38/70/27/971387027.db2.gz	DEYWTAJEVYQCSD-JTQLQIEISA-N	-1	0	313.379	0.293	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC001602729694	971400302	/nfs/dbraw/zinc/40/03/02/971400302.db2.gz	BEIAAJNNEQPXAT-UTUOFQBUSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C=CCn1c([C@@H](C)CO)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001602729718	971400511	/nfs/dbraw/zinc/40/05/11/971400511.db2.gz	CSRTYLOYBXPQMV-FIXISWKDSA-N	-1	0	322.365	0.097	20	30		DCEDRM
C=CCn1c(-c2ncnn2C)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001602729995	971404937	/nfs/dbraw/zinc/40/49/37/971404937.db2.gz	OUPCDNHKDHBSNP-SNVBAGLBSA-N	-1	0	317.353	0.561	20	30		DCEDRM
C=CC1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CCOC)CC1	ZINC001263232436	947824541	/nfs/dbraw/zinc/82/45/41/947824541.db2.gz	LYTUAQYWQMABMZ-UHFFFAOYSA-N	-1	0	318.381	0.551	20	30		DCEDRM
C#CCN1CC2(CN(Cc3ccc(C(=O)[O-])s3)C2)OCC1=O	ZINC001273718709	948045716	/nfs/dbraw/zinc/04/57/16/948045716.db2.gz	IFYVLVWDKWJBQS-UHFFFAOYSA-N	-1	0	320.370	0.493	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)NCCC[C@H](C)NC(=O)[C@H](C)C#N	ZINC001487539176	948111447	/nfs/dbraw/zinc/11/14/47/948111447.db2.gz	QOUDLXBWJNRJAF-ZJUUUORDSA-N	-1	0	319.365	0.665	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1	ZINC001326324827	948129568	/nfs/dbraw/zinc/12/95/68/948129568.db2.gz	CUJDYJQFXRZSKS-VIFPVBQESA-N	-1	0	300.336	0.679	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N(C)C[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001487776974	948268581	/nfs/dbraw/zinc/26/85/81/948268581.db2.gz	LLOZDYAMQXKYJB-GXSJLCMTSA-N	-1	0	322.365	0.039	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)[N-]OCc1ccccc1)[C@@H]1CCCO1	ZINC001327257791	948438274	/nfs/dbraw/zinc/43/82/74/948438274.db2.gz	GLRDETCNMMVDLC-KGLIPLIRSA-N	-1	0	302.330	0.531	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1	ZINC001273902328	948671922	/nfs/dbraw/zinc/67/19/22/948671922.db2.gz	BAWXNVNWKAPQNO-OAHLLOKOSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=CCCSCCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC001328226562	948758789	/nfs/dbraw/zinc/75/87/89/948758789.db2.gz	HCJGYWKWMVEEBF-LLVKDONJSA-N	-1	0	302.396	0.496	20	30		DCEDRM
C[C@]1(C(F)F)CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCO1	ZINC001570931031	948831750	/nfs/dbraw/zinc/83/17/50/948831750.db2.gz	JYXAUQOMIAPGOV-GFCCVEGCSA-N	-1	0	322.279	0.389	20	30		DCEDRM
CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC23CC3)n1	ZINC001264028011	948841835	/nfs/dbraw/zinc/84/18/35/948841835.db2.gz	GLPVSTOKZLCUEQ-LBPRGKRZSA-N	-1	0	300.362	0.711	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](n2ccnn2)CC1	ZINC001602779077	971514544	/nfs/dbraw/zinc/51/45/44/971514544.db2.gz	QUJZDKCQIKJRJO-RISCZKNCSA-N	-1	0	305.338	0.836	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC001328678115	949021624	/nfs/dbraw/zinc/02/16/24/949021624.db2.gz	FIIIVOMOBMTZOJ-UHFFFAOYSA-N	-1	0	318.333	0.399	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC001602796928	971565464	/nfs/dbraw/zinc/56/54/64/971565464.db2.gz	LHMSYUXHICLKMQ-VHSXEESVSA-N	-1	0	311.338	0.679	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC[C@H](CC)O2)n1	ZINC001489076453	949466315	/nfs/dbraw/zinc/46/63/15/949466315.db2.gz	LQUQHZQXTQUZQH-QWHCGFSZSA-N	-1	0	318.377	0.479	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@]2(CCOC2)O1	ZINC001589625133	949469481	/nfs/dbraw/zinc/46/94/81/949469481.db2.gz	VTJIOMZOEMDCKO-UGFHNGPFSA-N	-1	0	310.350	0.787	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2cn3c(n2)CCCC3)c(C#N)c1=O	ZINC001364532641	949501509	/nfs/dbraw/zinc/50/15/09/949501509.db2.gz	KUQXQSGEYIHOCR-UHFFFAOYSA-N	-1	0	314.349	0.133	20	30		DCEDRM
N#CCSCC(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001265576521	949783924	/nfs/dbraw/zinc/78/39/24/949783924.db2.gz	VJAJVPMWJMGWPH-JTQLQIEISA-N	-1	0	324.410	0.095	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccc(C#N)c2)on1	ZINC001364781133	949929826	/nfs/dbraw/zinc/92/98/26/949929826.db2.gz	BEEZPKMXKDOKFC-UHFFFAOYSA-N	-1	0	321.314	0.811	20	30		DCEDRM
COC[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)c1nnn[n-]1	ZINC001364814842	949996955	/nfs/dbraw/zinc/99/69/55/949996955.db2.gz	NTAAQLASGRLCGT-GFCCVEGCSA-N	-1	0	315.337	0.255	20	30		DCEDRM
C=CCCn1cc(CN[C@H](Cn2cc(Cl)cn2)C(=O)[O-])nn1	ZINC001330123838	950132655	/nfs/dbraw/zinc/13/26/55/950132655.db2.gz	QCLHWXFQEQJXMM-GFCCVEGCSA-N	-1	0	324.772	0.947	20	30		DCEDRM
CC(C)(C#N)CCCCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001602830003	971647376	/nfs/dbraw/zinc/64/73/76/971647376.db2.gz	FCOXSARHVDVKDI-UHFFFAOYSA-N	-1	0	318.333	0.686	20	30		DCEDRM
N#Cc1cn(C2CN(c3cccc(F)c3C#N)C2)c(=O)[n-]c1=O	ZINC001365236427	950786760	/nfs/dbraw/zinc/78/67/60/950786760.db2.gz	HNFMUXWWBMHDCT-UHFFFAOYSA-N	-1	0	311.276	0.893	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1	ZINC001332946003	951860742	/nfs/dbraw/zinc/86/07/42/951860742.db2.gz	RJCCPPBWHGQCMJ-NEPJUHHUSA-N	-1	0	312.366	0.263	20	30		DCEDRM
CC(C)CO[N-]C(=O)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC001333229398	951966210	/nfs/dbraw/zinc/96/62/10/951966210.db2.gz	GLIXPOKFUHOXPV-CQSZACIVSA-N	-1	0	301.346	0.845	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001333346393	952016536	/nfs/dbraw/zinc/01/65/36/952016536.db2.gz	BBTZOESEWDRQDQ-MRXNPFEDSA-N	-1	0	310.394	0.977	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001334981602	952428851	/nfs/dbraw/zinc/42/88/51/952428851.db2.gz	YPISRQJRJXLYOP-LBPRGKRZSA-N	-1	0	304.350	0.739	20	30		DCEDRM
C=CCC[C@@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001334980610	952429057	/nfs/dbraw/zinc/42/90/57/952429057.db2.gz	XDFONVCDQUMWBR-DGCLKSJQSA-N	-1	0	321.381	0.717	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2nc[n-]c(=O)c2Br)CCO1	ZINC001411755444	952430880	/nfs/dbraw/zinc/43/08/80/952430880.db2.gz	VYOGCCDOUXBISI-LURJTMIESA-N	-1	0	313.111	0.309	20	30		DCEDRM
CC[C@H](C)[C@](C)(O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001411796942	952457433	/nfs/dbraw/zinc/45/74/33/952457433.db2.gz	USQSYGMGJBSRFS-ZUZCIYMTSA-N	-1	0	322.365	0.124	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CCNC(=O)N(C)C	ZINC001411931392	952546263	/nfs/dbraw/zinc/54/62/63/952546263.db2.gz	KRCRMHORWXAWJN-UHFFFAOYSA-N	-1	0	305.338	0.311	20	30		DCEDRM
C[C@@H]1CCC[C@H](C)N1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412113959	952650056	/nfs/dbraw/zinc/65/00/56/952650056.db2.gz	YIEFEPYVIAGYBT-AOOOYVTPSA-N	-1	0	305.338	0.115	20	30		DCEDRM
C[C@@H]1CCCC[C@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412369536	952766814	/nfs/dbraw/zinc/76/68/14/952766814.db2.gz	CVGRKFONJVPWDF-ZYHUDNBSSA-N	-1	0	304.350	0.763	20	30		DCEDRM
Cc1ncc(CN(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001412444947	952804880	/nfs/dbraw/zinc/80/48/80/952804880.db2.gz	SCRVIUOJAUMFGG-UHFFFAOYSA-N	-1	0	319.346	0.244	20	30		DCEDRM
CN(Cc1ccoc1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412454741	952811464	/nfs/dbraw/zinc/81/14/64/952811464.db2.gz	BIQOEOYHGXOJHK-UHFFFAOYSA-N	-1	0	302.290	0.462	20	30		DCEDRM
CC[C@H]1CCC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001412578893	952909667	/nfs/dbraw/zinc/90/96/67/952909667.db2.gz	QJILWGDWOKJEMB-CMPLNLGQSA-N	-1	0	304.350	0.906	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)c1cccc(C#N)c1	ZINC001338590785	953033339	/nfs/dbraw/zinc/03/33/39/953033339.db2.gz	CMADCGRRBXMVAT-YPMHNXCESA-N	-1	0	317.345	0.820	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@](C)(C#N)C1	ZINC001342242358	953278295	/nfs/dbraw/zinc/27/82/95/953278295.db2.gz	ZUJLHRCDGAPKTG-OAHLLOKOSA-N	-1	0	313.365	0.818	20	30		DCEDRM
CS(=O)(=O)c1cc(C([O-])=C(C#N)C(=O)NC2CC2)cs1	ZINC001342584390	953296740	/nfs/dbraw/zinc/29/67/40/953296740.db2.gz	OYUMCGOBLGQAGN-SECBINFHSA-N	-1	0	312.372	0.753	20	30		DCEDRM
C#C[C@H](C)N(C)c1nnc(-c2nn[nH]n2)n1CCCOCC	ZINC001343237741	953330635	/nfs/dbraw/zinc/33/06/35/953330635.db2.gz	MIVYFPDOGXBJNA-JTQLQIEISA-N	-1	0	304.358	0.343	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NC2CCN(CC#N)CC2)C1	ZINC001589273745	953439088	/nfs/dbraw/zinc/43/90/88/953439088.db2.gz	GGJWBALXIHLBOV-NEPJUHHUSA-N	-1	0	308.382	0.727	20	30		DCEDRM
C=CC[C@@H](NC(=O)CCc1nc(-c2ncccn2)no1)C(=O)[O-]	ZINC001344557924	953497385	/nfs/dbraw/zinc/49/73/85/953497385.db2.gz	XJDWJCXUEKIELQ-SECBINFHSA-N	-1	0	317.305	0.605	20	30		DCEDRM
N#CCCN(Cc1ccccn1)C(=O)c1c[n-]n2c1nccc2=O	ZINC001344739474	953520919	/nfs/dbraw/zinc/52/09/19/953520919.db2.gz	CKPPLUOFWJMLKB-UHFFFAOYSA-N	-1	0	322.328	0.974	20	30		DCEDRM
CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[C@H]1CCC[C@@H]1C#N	ZINC001593675279	953916626	/nfs/dbraw/zinc/91/66/26/953916626.db2.gz	QLYSEFXZHGCNGF-WOPDTQHZSA-N	-1	0	307.350	0.460	20	30		DCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001347475534	954101538	/nfs/dbraw/zinc/10/15/38/954101538.db2.gz	WAOMOIOLXPZSIJ-LLVKDONJSA-N	-1	0	311.301	0.296	20	30		DCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@H](c2nnn[n-]2)C1	ZINC001347475536	954101980	/nfs/dbraw/zinc/10/19/80/954101980.db2.gz	WAOMOIOLXPZSIJ-NSHDSACASA-N	-1	0	311.301	0.296	20	30		DCEDRM
CC[C@@H](NC(=O)C(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC001349320558	954705252	/nfs/dbraw/zinc/70/52/52/954705252.db2.gz	UTKGERKMYMQLAU-LLVKDONJSA-N	-1	0	305.290	0.507	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001284049018	954812520	/nfs/dbraw/zinc/81/25/20/954812520.db2.gz	AZEKTYRDVBDVIM-MLGOLLRUSA-N	-1	0	317.393	0.783	20	30		DCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N1C[C@H](C)OC(C)(C)C1	ZINC001351669103	955375814	/nfs/dbraw/zinc/37/58/14/955375814.db2.gz	NCJIOZYSGOXJAA-JTQLQIEISA-N	-1	0	318.385	0.572	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(OCC)CC1	ZINC001351851121	955432335	/nfs/dbraw/zinc/43/23/35/955432335.db2.gz	DTNPNYXWRDPDCP-UHFFFAOYSA-N	-1	0	318.381	0.693	20	30		DCEDRM
COC(=O)[C@]12CCC[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2	ZINC001593865213	955571566	/nfs/dbraw/zinc/57/15/66/955571566.db2.gz	HSHXKMGDYANXLI-LKTVYLICSA-N	-1	0	308.334	0.793	20	30		DCEDRM
Cn1cc(N2CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C2)cn1	ZINC001594545760	955683269	/nfs/dbraw/zinc/68/32/69/955683269.db2.gz	HPJZAVHXDLCIQP-QMTHXVAHSA-N	-1	0	305.338	0.120	20	30		DCEDRM
COC(=O)c1cnc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC001593893093	955794240	/nfs/dbraw/zinc/79/42/40/955794240.db2.gz	AOEDAKWETBBLLT-CYBMUJFWSA-N	-1	0	307.262	0.311	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC001593914780	956011160	/nfs/dbraw/zinc/01/11/60/956011160.db2.gz	KLKLUWDISRLAQZ-CYBMUJFWSA-N	-1	0	314.301	0.841	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2cnccc2C#N)CC1	ZINC001593921832	956085579	/nfs/dbraw/zinc/08/55/79/956085579.db2.gz	BDRNBVDYZGQGOG-OAHLLOKOSA-N	-1	0	318.333	0.092	20	30		DCEDRM
N#CC[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(F)(F)F	ZINC001594605664	956168832	/nfs/dbraw/zinc/16/88/32/956168832.db2.gz	GRZUTQKYAVDGDP-YUMQZZPRSA-N	-1	0	321.255	0.270	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C=C3CCCC3)C2)c(=O)[n-]c1=O	ZINC001353933784	956233138	/nfs/dbraw/zinc/23/31/38/956233138.db2.gz	YZVWRDGWDSTHLM-UHFFFAOYSA-N	-1	0	300.318	0.704	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c(F)c1	ZINC001594615632	956233814	/nfs/dbraw/zinc/23/38/14/956233814.db2.gz	AGVNGDQSXAFINZ-UHFFFAOYSA-N	-1	0	323.255	0.205	20	30		DCEDRM
CO[C@@H](CC(C)C)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001593938408	956248366	/nfs/dbraw/zinc/24/83/66/956248366.db2.gz	MXOSKWHGEGBVMJ-NSHDSACASA-N	-1	0	309.322	0.027	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CN[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC001594620913	956280138	/nfs/dbraw/zinc/28/01/38/956280138.db2.gz	VYYUPZZRPXKYKP-HNNXBMFYSA-N	-1	0	303.318	0.008	20	30		DCEDRM
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C(=O)NCCC(=O)[O-]	ZINC001594626495	956318777	/nfs/dbraw/zinc/31/87/77/956318777.db2.gz	BTTAYHWSSBXMAV-ZDUSSCGKSA-N	-1	0	315.329	0.643	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C2	ZINC001594627361	956323782	/nfs/dbraw/zinc/32/37/82/956323782.db2.gz	PPHRCVKCDMYCTF-LBPRGKRZSA-N	-1	0	308.297	0.944	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(C[C@H]2CCC(F)(F)C2)c1=O	ZINC001594633179	956357926	/nfs/dbraw/zinc/35/79/26/956357926.db2.gz	QEYUXDBSZGJRBS-QMMMGPOBSA-N	-1	0	313.260	0.402	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(C[C@@H]2CCC(F)(F)C2)c1=O	ZINC001594633170	956358142	/nfs/dbraw/zinc/35/81/42/956358142.db2.gz	QEYUXDBSZGJRBS-MRVPVSSYSA-N	-1	0	313.260	0.402	20	30		DCEDRM
N#Cc1cscc1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001594634910	956365786	/nfs/dbraw/zinc/36/57/86/956365786.db2.gz	ROGJLCOXGXETDE-LLVKDONJSA-N	-1	0	321.358	0.815	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001589168112	956439778	/nfs/dbraw/zinc/43/97/78/956439778.db2.gz	WJOGRQOZPLDWQG-VIFPVBQESA-N	-1	0	315.289	0.640	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC2CCC(C#N)CC2)C1	ZINC001589187677	956571192	/nfs/dbraw/zinc/57/11/92/956571192.db2.gz	AWXNEUVYFAETPP-PPUFBPAQSA-N	-1	0	321.377	0.756	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2ncc(C#N)cc2C)CCO1	ZINC001593982913	956725166	/nfs/dbraw/zinc/72/51/66/956725166.db2.gz	KEYSQDFBVNWGHO-HNNXBMFYSA-N	-1	0	319.317	0.204	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC001327681318	957348731	/nfs/dbraw/zinc/34/87/31/957348731.db2.gz	YCASIQABIPBGJH-VIFPVBQESA-N	-1	0	305.290	0.364	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(NC(=O)C#CC(C)(C)C)CC2)c1[O-]	ZINC001358656487	957547803	/nfs/dbraw/zinc/54/78/03/957547803.db2.gz	CLODVDSFKXLZEY-UHFFFAOYSA-N	-1	0	318.377	0.852	20	30		DCEDRM
C=C(C)CCC(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001295123089	957646197	/nfs/dbraw/zinc/64/61/97/957646197.db2.gz	XPAAWUZZVUHHQR-KYZUINATSA-N	-1	0	321.337	0.016	20	30		DCEDRM
Cc1noc([C@H]2CCCN(c3[n-]c(=O)n(C)c(=O)c3C#N)C2)n1	ZINC001413884108	957688498	/nfs/dbraw/zinc/68/84/98/957688498.db2.gz	FEYOHAZCNIUXPV-VIFPVBQESA-N	-1	0	316.321	0.021	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCN(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001295709099	957797578	/nfs/dbraw/zinc/79/75/78/957797578.db2.gz	UVGXKBMGULFDGY-GFCCVEGCSA-N	-1	0	318.377	0.661	20	30		DCEDRM
CON=Cc1ccc(C(=O)N(CCC(=O)OC)CC(=O)[O-])cc1	ZINC001594042696	957892737	/nfs/dbraw/zinc/89/27/37/957892737.db2.gz	XDBHLZNEVTXHDG-UHFFFAOYSA-N	-1	0	322.317	0.757	20	30		DCEDRM
C=CCSCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001296285781	957944878	/nfs/dbraw/zinc/94/48/78/957944878.db2.gz	KGBZZNLRFIJLAP-UHFFFAOYSA-N	-1	0	308.363	0.246	20	30		DCEDRM
C#C[C@@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C(C)C	ZINC001588387905	957990662	/nfs/dbraw/zinc/99/06/62/957990662.db2.gz	MWNIHMCXGZPGQN-SNVBAGLBSA-N	-1	0	301.364	0.040	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588388530	957995022	/nfs/dbraw/zinc/99/50/22/957995022.db2.gz	BXJOPCRVSCPLTI-SWLSCSKDSA-N	-1	0	312.366	0.548	20	30		DCEDRM
C#CCCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001588390863	958015332	/nfs/dbraw/zinc/01/53/32/958015332.db2.gz	PEEHZLQYXZMJES-VHSXEESVSA-N	-1	0	306.284	0.996	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(C)cc1OCC	ZINC001588394643	958037002	/nfs/dbraw/zinc/03/70/02/958037002.db2.gz	GJTFAYXQHMTEJL-UHFFFAOYSA-N	-1	0	318.329	0.879	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc2ccn(C)c21	ZINC001588397661	958060221	/nfs/dbraw/zinc/06/02/21/958060221.db2.gz	PQHIERGFRZQZQZ-UHFFFAOYSA-N	-1	0	313.313	0.663	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cccc(OCCOC)c1	ZINC001588407022	958096410	/nfs/dbraw/zinc/09/64/10/958096410.db2.gz	GJVRBLAIEBESIA-UHFFFAOYSA-N	-1	0	305.330	0.801	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC001588407095	958098425	/nfs/dbraw/zinc/09/84/25/958098425.db2.gz	HEMXGELXSZKVDF-UHFFFAOYSA-N	-1	0	322.273	0.529	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@H](c2ccnn2C)C1	ZINC001588410017	958134247	/nfs/dbraw/zinc/13/42/47/958134247.db2.gz	NPPZIQHYZZQOSW-AAEUAGOBSA-N	-1	0	320.349	0.370	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc2c1N(C)C(=O)CO2	ZINC001588412759	958153228	/nfs/dbraw/zinc/15/32/28/958153228.db2.gz	JOEBAPPTJQOTJZ-UHFFFAOYSA-N	-1	0	317.301	0.594	20	30		DCEDRM
COC(=O)[C@@H](F)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001361632798	958157847	/nfs/dbraw/zinc/15/78/47/958157847.db2.gz	HMJLMHLOZFKKOS-QMMMGPOBSA-N	-1	0	313.310	0.622	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccnn1[C@H]1CCCOC1	ZINC001588413295	958158259	/nfs/dbraw/zinc/15/82/59/958158259.db2.gz	XWJHJVBMRSUPNY-NSHDSACASA-N	-1	0	306.322	0.786	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C)n(-c2ccn(C)n2)c1C	ZINC001588417298	958169525	/nfs/dbraw/zinc/16/95/25/958169525.db2.gz	GXXLLQIDLWOTFP-UHFFFAOYSA-N	-1	0	314.345	0.988	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1	ZINC001588420282	958203564	/nfs/dbraw/zinc/20/35/64/958203564.db2.gz	UFSGXVZHNGNOQC-JTQLQIEISA-N	-1	0	303.318	0.132	20	30		DCEDRM
COc1ccc(C#N)cc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001594074935	958208821	/nfs/dbraw/zinc/20/88/21/958208821.db2.gz	DPMICJNUIAVTCR-LBPRGKRZSA-N	-1	0	324.358	0.250	20	30		DCEDRM
COc1ccc(C#N)cc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001594074934	958209252	/nfs/dbraw/zinc/20/92/52/958209252.db2.gz	DPMICJNUIAVTCR-GFCCVEGCSA-N	-1	0	324.358	0.250	20	30		DCEDRM
C#CCN(CC(=O)[O-])Cc1nc2cc(C(=O)OC)ccc2[nH]1	ZINC001588425005	958221867	/nfs/dbraw/zinc/22/18/67/958221867.db2.gz	AYPBTODYUWSZGP-UHFFFAOYSA-N	-1	0	301.302	0.869	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cc(C)on2)n1CCOC	ZINC001588426618	958231045	/nfs/dbraw/zinc/23/10/45/958231045.db2.gz	RNWQDZAYVXPBNT-UHFFFAOYSA-N	-1	0	319.321	0.412	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(F)F)n1C[C@H]1CCCO1	ZINC001588427335	958244173	/nfs/dbraw/zinc/24/41/73/958244173.db2.gz	UNOVIHUGNDBAEN-SECBINFHSA-N	-1	0	314.292	0.919	20	30		DCEDRM
C#CCOCCC(=O)NC[C@H](CC)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001297402242	958250186	/nfs/dbraw/zinc/25/01/86/958250186.db2.gz	NXVDLIWCCSZTLX-NSHDSACASA-N	-1	0	322.365	0.088	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)c2ccc(OCC(=O)[O-])cc2)C1	ZINC001588430178	958253096	/nfs/dbraw/zinc/25/30/96/958253096.db2.gz	JCNZXILHPJGKBQ-AWEZNQCLSA-N	-1	0	316.357	0.977	20	30		DCEDRM
C#CCn1cc(CNC(=O)c2cccc(OCC(=O)[O-])c2)cn1	ZINC001588433152	958293204	/nfs/dbraw/zinc/29/32/04/958293204.db2.gz	LIGLLYCROOISLW-UHFFFAOYSA-N	-1	0	313.313	0.910	20	30		DCEDRM
C=C(C)CN(C)C(=O)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588442492	958346563	/nfs/dbraw/zinc/34/65/63/958346563.db2.gz	RXMVYLGPIYAAJV-BGMSHATGSA-N	-1	0	324.377	0.550	20	30		DCEDRM
Cc1cccc2c1CC[C@@H]2NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361816910	958364901	/nfs/dbraw/zinc/36/49/01/958364901.db2.gz	DWDRHBKVTCOVBN-AWEZNQCLSA-N	-1	0	324.340	0.933	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001588444897	958369738	/nfs/dbraw/zinc/36/97/38/958369738.db2.gz	XVILBEBZBIXPLQ-HUBLWGQQSA-N	-1	0	313.350	0.296	20	30		DCEDRM
C=CCN(CC=C)C(=O)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001588463219	958481037	/nfs/dbraw/zinc/48/10/37/958481037.db2.gz	FFDDJGQQTJEJFT-UHFFFAOYSA-N	-1	0	310.350	0.185	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@]2(C(=O)[O-])C[C@H]2C)c1	ZINC001573327804	958493068	/nfs/dbraw/zinc/49/30/68/958493068.db2.gz	WLDZMXSCILVDOW-HWPZZCPQSA-N	-1	0	300.314	0.833	20	30		DCEDRM
C=CCSCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588469616	958518656	/nfs/dbraw/zinc/51/86/56/958518656.db2.gz	NTRFRURDBKVSAW-SNVBAGLBSA-N	-1	0	300.380	0.345	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H](C)C(=O)[O-]	ZINC001588508226	958747966	/nfs/dbraw/zinc/74/79/66/958747966.db2.gz	FSEDEQPMUCXATJ-VIFPVBQESA-N	-1	0	321.308	0.749	20	30		DCEDRM
CCC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001362192848	958906035	/nfs/dbraw/zinc/90/60/35/958906035.db2.gz	OPLBSKFCDXHITA-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C(C)(C)C1	ZINC001588538236	958939476	/nfs/dbraw/zinc/93/94/76/958939476.db2.gz	FYSUSHRIYOHGEM-RNCFNFMXSA-N	-1	0	316.379	0.463	20	30		DCEDRM
CCS[C@H]1CCC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362219369	958950538	/nfs/dbraw/zinc/95/05/38/958950538.db2.gz	POQKTMKGMVCMNU-MNOVXSKESA-N	-1	0	322.390	0.611	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ncn(-c2ccccc2)n1	ZINC001588542022	958968868	/nfs/dbraw/zinc/96/88/68/958968868.db2.gz	QLCUTCDQWFZRRF-HNNXBMFYSA-N	-1	0	313.317	0.888	20	30		DCEDRM
C[C@@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)n1cnc(C#N)n1	ZINC001588549060	959008736	/nfs/dbraw/zinc/00/87/36/959008736.db2.gz	RBRASXARPRNLAO-QWRGUYRKSA-N	-1	0	305.338	0.814	20	30		DCEDRM
C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)n1cnc(C#N)n1	ZINC001588551102	959019328	/nfs/dbraw/zinc/01/93/28/959019328.db2.gz	RPXIJIDMNDQDMK-INTQDDNPSA-N	-1	0	303.322	0.280	20	30		DCEDRM
CC[C@H]1CCC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362287558	959076281	/nfs/dbraw/zinc/07/62/81/959076281.db2.gz	OASDYJLXBGROGA-CMPLNLGQSA-N	-1	0	304.350	0.906	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@@H](c3ccco3)C2)c(=O)[n-]c1=O	ZINC001362291679	959082485	/nfs/dbraw/zinc/08/24/85/959082485.db2.gz	HRRDUPGEMNTVBQ-SNVBAGLBSA-N	-1	0	314.301	0.430	20	30		DCEDRM
N#CCC1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362401001	959280172	/nfs/dbraw/zinc/28/01/72/959280172.db2.gz	CLDHOIRMWYVZSM-UHFFFAOYSA-N	-1	0	301.306	0.021	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C)C(=O)C1(C)C	ZINC001362437389	959354169	/nfs/dbraw/zinc/35/41/69/959354169.db2.gz	IGZQTKVVQBSNMB-UHFFFAOYSA-N	-1	0	302.334	0.660	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1C#N	ZINC001594457092	959430446	/nfs/dbraw/zinc/43/04/46/959430446.db2.gz	WHTYXCHUQJAUCY-OAHLLOKOSA-N	-1	0	316.317	0.523	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](CS(C)(=O)=O)C1	ZINC001362483362	959441976	/nfs/dbraw/zinc/44/19/76/959441976.db2.gz	BTEPVFKGBCNJAM-SNVBAGLBSA-N	-1	0	323.374	0.474	20	30		DCEDRM
N#CCC1(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1	ZINC001362485494	959447257	/nfs/dbraw/zinc/44/72/57/959447257.db2.gz	UBGQYKDIIUFKSA-UHFFFAOYSA-N	-1	0	313.317	0.690	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NCC[C@@H](C)NCC#N)cc1=O	ZINC001492053791	959531492	/nfs/dbraw/zinc/53/14/92/959531492.db2.gz	SMENLKZYRVUPDZ-GFCCVEGCSA-N	-1	0	307.398	0.383	20	30		DCEDRM
Cc1nn(C)c(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)c1C#N	ZINC001594483113	959640057	/nfs/dbraw/zinc/64/00/57/959640057.db2.gz	DDKIPANKZGMYQH-VHSXEESVSA-N	-1	0	306.322	0.809	20	30		DCEDRM
Cc1c(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)cnn1CCC#N	ZINC001362618928	959708128	/nfs/dbraw/zinc/70/81/28/959708128.db2.gz	UCRQYYGJKISBIP-SECBINFHSA-N	-1	0	302.342	0.494	20	30		DCEDRM
CCn1cccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362691697	959839009	/nfs/dbraw/zinc/83/90/09/959839009.db2.gz	ZVJWJDLPWVTVTB-UHFFFAOYSA-N	-1	0	301.306	0.072	20	30		DCEDRM
Cc1ccsc1CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362733399	959908178	/nfs/dbraw/zinc/90/81/78/959908178.db2.gz	ZIENCOWUHUFUKZ-UHFFFAOYSA-N	-1	0	318.358	0.549	20	30		DCEDRM
N#Cc1ccc(C2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CCC2)cc1	ZINC001362853758	960089732	/nfs/dbraw/zinc/08/97/32/960089732.db2.gz	JCRWIBGSHUBKBI-UHFFFAOYSA-N	-1	0	313.317	0.757	20	30		DCEDRM
Cc1ccc([C@@H](C)C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001363005270	960286429	/nfs/dbraw/zinc/28/64/29/960286429.db2.gz	XKVCTHSLFVLCQR-SNVBAGLBSA-N	-1	0	316.317	0.642	20	30		DCEDRM
COCC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001363004754	960286751	/nfs/dbraw/zinc/28/67/51/960286751.db2.gz	UIYNNOBUZVCAOV-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
C=CCN(CCOC)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000234700066	960361873	/nfs/dbraw/zinc/36/18/73/960361873.db2.gz	LIZRVBHBQZXZOM-UHFFFAOYSA-N	-1	0	303.340	0.239	20	30		DCEDRM
CCOC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001363093535	960392129	/nfs/dbraw/zinc/39/21/29/960392129.db2.gz	HQLYTVGBKCOAJW-UHFFFAOYSA-N	-1	0	320.349	0.286	20	30		DCEDRM
CC(=O)c1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)nc1C	ZINC001363144941	960477204	/nfs/dbraw/zinc/47/72/04/960477204.db2.gz	QZWNOIIZVBQSTM-UHFFFAOYSA-N	-1	0	313.317	0.463	20	30		DCEDRM
CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588670339	960506759	/nfs/dbraw/zinc/50/67/59/960506759.db2.gz	SQUMOZVGUBFFMS-UONOGXRCSA-N	-1	0	314.338	0.200	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CNC(=O)c3ccccc32)[n-]c1C#N	ZINC001363163266	960513815	/nfs/dbraw/zinc/51/38/15/960513815.db2.gz	ZZZRGLPMCYSZBQ-JTQLQIEISA-N	-1	0	306.285	0.619	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)Nc2ccc(F)cc2Cl)c1=O	ZINC001363183572	960554603	/nfs/dbraw/zinc/55/46/03/960554603.db2.gz	DLZXZLRNGKUVTH-UHFFFAOYSA-N	-1	0	322.683	0.839	20	30		DCEDRM
COCC[C@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)C(=O)OC	ZINC001363184664	960556223	/nfs/dbraw/zinc/55/62/23/960556223.db2.gz	PKNKIJADWPDEFJ-JTQLQIEISA-N	-1	0	307.306	0.275	20	30		DCEDRM
Cc1ncsc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363285490	960791781	/nfs/dbraw/zinc/79/17/81/960791781.db2.gz	GCNFUFOVARAXRA-UHFFFAOYSA-N	-1	0	305.319	0.016	20	30		DCEDRM
N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nc1	ZINC001571071915	960903858	/nfs/dbraw/zinc/90/38/58/960903858.db2.gz	CIUGCIWIXHQNNG-USZNOCQGSA-N	-1	0	300.318	0.733	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2CCNC(=O)CC2)cc1C#N	ZINC001363399712	961077071	/nfs/dbraw/zinc/07/70/71/961077071.db2.gz	OADCJBQQEXINQQ-SECBINFHSA-N	-1	0	320.374	0.779	20	30		DCEDRM
CC(C)[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)N1CCCC1=O	ZINC001363467454	961215941	/nfs/dbraw/zinc/21/59/41/961215941.db2.gz	UZZXRZUICLLTRZ-LBPRGKRZSA-N	-1	0	300.322	0.739	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC2CC3(CC3(F)F)C2)c(=O)[n-]c1=O	ZINC001363475219	961235148	/nfs/dbraw/zinc/23/51/48/961235148.db2.gz	WVHFTEWYVLTKMT-UHFFFAOYSA-N	-1	0	324.287	0.515	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCN(C2CCC2)C1=O	ZINC001363502196	961288788	/nfs/dbraw/zinc/28/87/88/961288788.db2.gz	TWJOXCOQWRWWBY-LBPRGKRZSA-N	-1	0	314.345	0.851	20	30		DCEDRM
CCOC(=O)C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(F)(F)F	ZINC001573894236	961372858	/nfs/dbraw/zinc/37/28/58/961372858.db2.gz	BDBWBJPDKZPIKG-CPCISQLKSA-N	-1	0	324.255	0.991	20	30		DCEDRM
Cc1conc1CS(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571119235	961428424	/nfs/dbraw/zinc/42/84/24/961428424.db2.gz	ZNEZOBUFRKXKMA-UHFFFAOYSA-N	-1	0	313.335	0.503	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)c2ccnc3[nH]c(=O)[nH]c32)CC1	ZINC001571122884	961456336	/nfs/dbraw/zinc/45/63/36/961456336.db2.gz	JMSPUJYTHVKIDE-UHFFFAOYSA-N	-1	0	315.289	0.494	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001571125847	961495844	/nfs/dbraw/zinc/49/58/44/961495844.db2.gz	ISNFZHMQJXYHSP-KQSJRHEJSA-N	-1	0	315.395	0.554	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@H](CN(C)c2ncc(C(=O)[O-])cn2)C1	ZINC001571133676	961597050	/nfs/dbraw/zinc/59/70/50/961597050.db2.gz	USOJCZUXMSZYDW-WDEREUQCSA-N	-1	0	317.349	0.619	20	30		DCEDRM
CCC(=O)N1CCC[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001571154597	961846644	/nfs/dbraw/zinc/84/66/44/961846644.db2.gz	PQZRPMPLMRJABB-LBPRGKRZSA-N	-1	0	321.377	0.852	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CC[C@H](O)C(F)(F)C1)cc2=O	ZINC001363801862	961914352	/nfs/dbraw/zinc/91/43/52/961914352.db2.gz	KSZNCPBEPSWSTG-JTQLQIEISA-N	-1	0	309.276	0.508	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cccc(N2CCNC2=O)c1)C(=O)[O-]	ZINC001339538653	962040091	/nfs/dbraw/zinc/04/00/91/962040091.db2.gz	FXJNZYXIEAFMFU-GFCCVEGCSA-N	-1	0	301.302	0.423	20	30		DCEDRM
CCn1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1C	ZINC001364106294	962481245	/nfs/dbraw/zinc/48/12/45/962481245.db2.gz	DHJBKEPTYYWGMW-UHFFFAOYSA-N	-1	0	315.333	0.380	20	30		DCEDRM
CC1(C)CO[C@@H](CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001364108082	962485162	/nfs/dbraw/zinc/48/51/62/962485162.db2.gz	MDSLGAMHILKEGB-NSHDSACASA-N	-1	0	320.349	0.142	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc(CF)cc2)c(=O)[n-]c1=O	ZINC001364110000	962489252	/nfs/dbraw/zinc/48/92/52/962489252.db2.gz	VGMNNOLXSXOTLR-UHFFFAOYSA-N	-1	0	316.292	0.720	20	30		DCEDRM
C#CCN(C(=O)CNC(=O)[O-])C1CCN(C(=O)[C@H](C)CC)CC1	ZINC001573302300	962649883	/nfs/dbraw/zinc/64/98/83/962649883.db2.gz	UTMBGHUAQZVYSO-GFCCVEGCSA-N	-1	0	323.393	0.753	20	30		DCEDRM
C=C(Br)CN1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573313926	962738955	/nfs/dbraw/zinc/73/89/55/962738955.db2.gz	UKFTZHHGPOCYCN-RKDXNWHRSA-N	-1	0	303.156	0.416	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)[O-]	ZINC001573319814	962747198	/nfs/dbraw/zinc/74/71/98/962747198.db2.gz	BACONJVBXKIYFA-SRVKXCTJSA-N	-1	0	309.366	0.668	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)Nc2ccc(F)cc2F)c1=O	ZINC001364276072	962799482	/nfs/dbraw/zinc/79/94/82/962799482.db2.gz	DTLXNRRKDFEZRY-UHFFFAOYSA-N	-1	0	306.228	0.325	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cnc(Cl)c(C)c1)C(=O)[O-]	ZINC000275080053	962823705	/nfs/dbraw/zinc/82/37/05/962823705.db2.gz	YKOULMNPGNIDHM-VIFPVBQESA-N	-1	0	302.739	0.798	20	30		DCEDRM
C=CCC(C)(C)C(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573351928	962982885	/nfs/dbraw/zinc/98/28/85/962982885.db2.gz	YWQVMJXPJLNWFD-NWDGAFQWSA-N	-1	0	308.378	0.979	20	30		DCEDRM
C=CCOCC(=O)N1C[C@H](Nc2ncc(C(=O)[O-])cn2)C[C@@H]1C	ZINC001573368921	963087469	/nfs/dbraw/zinc/08/74/69/963087469.db2.gz	LIOLNWPROITYQI-CMPLNLGQSA-N	-1	0	320.349	0.779	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc2[nH]c(CO)nc2c1)C(=O)[O-]	ZINC001573369587	963100308	/nfs/dbraw/zinc/10/03/08/963100308.db2.gz	WJJHDVFSUKWMPN-LBPRGKRZSA-N	-1	0	319.317	0.441	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NCCc2cccc(C(=O)[O-])c2)CCO1	ZINC000315990793	963961565	/nfs/dbraw/zinc/96/15/65/963961565.db2.gz	AEJIBDNOYXTDLR-ZDUSSCGKSA-N	-1	0	303.318	0.861	20	30		DCEDRM
C=C(C)Cn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1[C@@](C)(O)COC	ZINC001588441141	964049380	/nfs/dbraw/zinc/04/93/80/964049380.db2.gz	AHRRWKXITZBYEV-ABAIWWIYSA-N	-1	0	324.381	0.619	20	30		DCEDRM
C=C(Cl)CN1CC(CCO)(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001369022638	964310000	/nfs/dbraw/zinc/31/00/00/964310000.db2.gz	OASYUNUQIUDFEP-UHFFFAOYSA-N	-1	0	314.773	0.343	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC000318021410	970404104	/nfs/dbraw/zinc/40/41/04/970404104.db2.gz	CRWWJJXDFIZQSO-UHFFFAOYSA-N	-1	0	318.354	0.950	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](S(C)(=O)=O)CC1	ZINC001609691419	970449664	/nfs/dbraw/zinc/44/96/64/970449664.db2.gz	OBENPOSTAKKSCZ-GWCFXTLKSA-N	-1	0	316.379	0.417	20	30		DCEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NCc1ccco1	ZINC001609972891	970624524	/nfs/dbraw/zinc/62/45/24/970624524.db2.gz	QQJVIQVNSLNKCZ-OTYXRUKQSA-N	-1	0	308.290	0.832	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000320264424	970639662	/nfs/dbraw/zinc/63/96/62/970639662.db2.gz	KGEWYWBAIRKDPS-MRVPVSSYSA-N	-1	0	303.311	0.739	20	30		DCEDRM
CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)COCC(=O)[O-])C1	ZINC001604196718	972640945	/nfs/dbraw/zinc/64/09/45/972640945.db2.gz	UIIOKDXYPDRYON-AWEZNQCLSA-N	-1	0	317.345	0.697	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC000393812261	972643194	/nfs/dbraw/zinc/64/31/94/972643194.db2.gz	BWGJLSHVFZGIEN-NSHDSACASA-N	-1	0	323.271	0.337	20	30		DCEDRM
C[C@H]1CCCN(C(=O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001603408110	973077976	/nfs/dbraw/zinc/07/79/76/973077976.db2.gz	ZLDMQKSKUNAQRY-XHDPSFHLSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CC[C@H](C#N)N(C)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001603488281	973417962	/nfs/dbraw/zinc/41/79/62/973417962.db2.gz	JTUTULJBRXFWOJ-SECBINFHSA-N	-1	0	302.352	0.027	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccc(C#N)cc2C)CCO1	ZINC001604556400	973585203	/nfs/dbraw/zinc/58/52/03/973585203.db2.gz	FQZVQKFMWPOXSB-MRXNPFEDSA-N	-1	0	318.329	0.809	20	30		DCEDRM
N#Cc1cc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)ccc1F	ZINC001605591888	973890594	/nfs/dbraw/zinc/89/05/94/973890594.db2.gz	GWHGEWBSPHRRRP-NHYWBVRUSA-N	-1	0	304.277	0.871	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1	ZINC001605611263	973917777	/nfs/dbraw/zinc/91/77/77/973917777.db2.gz	NRHHMFUSNCLTCF-MEBBXXQBSA-N	-1	0	304.277	0.871	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@H]1C(=O)[O-])CC2	ZINC001605612517	973926458	/nfs/dbraw/zinc/92/64/58/973926458.db2.gz	PNHRKNUZNWXBAW-LBPRGKRZSA-N	-1	0	313.313	0.523	20	30		DCEDRM
N#Cc1cccc(N2CCN(C(=O)C3(C(=O)[O-])CCC3)CC2)n1	ZINC001605617852	973936933	/nfs/dbraw/zinc/93/69/33/973936933.db2.gz	YNIJZJVPEGYWMR-UHFFFAOYSA-N	-1	0	314.345	0.857	20	30		DCEDRM
CC(C)[C@H](C#N)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001591852044	976132479	/nfs/dbraw/zinc/13/24/79/976132479.db2.gz	AWHDWGKMLZMQBG-LBPRGKRZSA-N	-1	0	312.347	0.976	20	30		DCEDRM
CC(C)[C@H](NC(=O)COC(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC001591878355	976234793	/nfs/dbraw/zinc/23/47/93/976234793.db2.gz	LHHJJTOAESHELX-HNNXBMFYSA-N	-1	0	318.329	0.869	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC000712826225	977604125	/nfs/dbraw/zinc/60/41/25/977604125.db2.gz	OUWBWDJVBGINRG-MOENNCHZSA-N	-1	0	303.380	0.324	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)NCCSCC(=O)[O-])CC1	ZINC000717249906	977887427	/nfs/dbraw/zinc/88/74/27/977887427.db2.gz	KKHCXZXDKBVMQS-UHFFFAOYSA-N	-1	0	302.396	0.917	20	30		DCEDRM
C[C@](CCF)([NH2+]Cc1cc(=O)n2[n-]cc(C#N)c2n1)C(=O)[O-]	ZINC001592506308	978317984	/nfs/dbraw/zinc/31/79/84/978317984.db2.gz	KXKALRMJTAAFEW-CYBMUJFWSA-N	-1	0	307.285	0.599	20	30		DCEDRM
C[C@H](CN(C1CC1)S(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC001592592465	978516707	/nfs/dbraw/zinc/51/67/07/978516707.db2.gz	CFYQNOHSPNZIEQ-SECBINFHSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ncc(C(=O)[O-])s1	ZINC001592990287	980177927	/nfs/dbraw/zinc/17/79/27/980177927.db2.gz	PIVKFLNTKLONAH-RNFRBKRXSA-N	-1	0	320.334	0.743	20	30		DCEDRM
CCCC[C@@H]1NC(=O)N(CN2CCC(C#N)(C(=O)[O-])CC2)C1=O	ZINC001595665517	982091369	/nfs/dbraw/zinc/09/13/69/982091369.db2.gz	OERUHTDCPOIXDF-NSHDSACASA-N	-1	0	322.365	0.745	20	30		DCEDRM
CC[C@](C)(CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)OC	ZINC001449952641	1014808489	/nfs/dbraw/zinc/80/84/89/1014808489.db2.gz	KKVSJXZWICRPFS-CQSZACIVSA-N	-1	0	308.338	0.142	20	30		DCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC	ZINC001588367689	983301116	/nfs/dbraw/zinc/30/11/16/983301116.db2.gz	AIGDOYLCFQLUIP-ZCFIWIBFSA-N	-1	0	317.344	0.533	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001588368005	983302444	/nfs/dbraw/zinc/30/24/44/983302444.db2.gz	FKIZDMMCGCHSNB-VIFPVBQESA-N	-1	0	304.302	0.812	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1)[C@H]1CCCO1	ZINC001588370837	983322675	/nfs/dbraw/zinc/32/26/75/983322675.db2.gz	OLDHWNASESKJIN-FIYWTHMPSA-N	-1	0	322.361	0.043	20	30		DCEDRM
C#C[C@H](NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)C1CCOCC1	ZINC001588372723	983333527	/nfs/dbraw/zinc/33/35/27/983333527.db2.gz	RHRJBYQRPUGGTM-DRZSPHRISA-N	-1	0	310.350	0.298	20	30		DCEDRM
C#C[C@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)[C@@H]1CCCO1	ZINC001588373751	983339785	/nfs/dbraw/zinc/33/97/85/983339785.db2.gz	JKGBDOVNMPMEHU-TVQXOTEMSA-N	-1	0	306.362	0.966	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588382278	983369648	/nfs/dbraw/zinc/36/96/48/983369648.db2.gz	LMPZMJNRVPHOLN-ITGHMWBKSA-N	-1	0	318.373	0.616	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC001588383614	983382868	/nfs/dbraw/zinc/38/28/68/983382868.db2.gz	FUPVAZAFSZUYBO-OQHXTRMZSA-N	-1	0	321.354	0.807	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC001588383771	983383958	/nfs/dbraw/zinc/38/39/58/983383958.db2.gz	KCPSQXVXXPBPBK-GJZGRUSLSA-N	-1	0	316.357	0.974	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588390462	983394150	/nfs/dbraw/zinc/39/41/50/983394150.db2.gz	VPORPJXVBWOKCS-GFCCVEGCSA-N	-1	0	318.329	0.868	20	30		DCEDRM
C#CC[C@H](CCOC)NS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588395222	983404931	/nfs/dbraw/zinc/40/49/31/983404931.db2.gz	RDEYAGXZAULVDL-SNVBAGLBSA-N	-1	0	312.347	0.487	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC001588396806	983409291	/nfs/dbraw/zinc/40/92/91/983409291.db2.gz	ZGDLJWJQJTZPDP-CHWSQXEVSA-N	-1	0	324.377	0.244	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@]1(C(=O)OC(C)(C)C)CCCO1)C(=O)[O-]	ZINC001588398057	983410544	/nfs/dbraw/zinc/41/05/44/983410544.db2.gz	BTFAQRDFZUQFME-ZUZCIYMTSA-N	-1	0	311.334	0.470	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CSCN1C(=O)/C(C)=C\CC)C(=O)[O-]	ZINC001588407373	983428059	/nfs/dbraw/zinc/42/80/59/983428059.db2.gz	ZGXUJQCHSYUPQG-AUSWNFFYSA-N	-1	0	324.402	0.837	20	30		DCEDRM
C#CC[C@H](NC(=O)c1csc(S(C)(=O)=O)c1)C(=O)[O-]	ZINC001588421289	983440099	/nfs/dbraw/zinc/44/00/99/983440099.db2.gz	FZDQVMCUJSKTFO-QMMMGPOBSA-N	-1	0	301.345	0.358	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(N(C)C(C)=O)cc1)C(=O)[O-]	ZINC001588428622	983463050	/nfs/dbraw/zinc/46/30/50/983463050.db2.gz	VHZXMYCXGNWURU-ZDUSSCGKSA-N	-1	0	324.358	0.424	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)C1	ZINC001588432013	983466687	/nfs/dbraw/zinc/46/66/87/983466687.db2.gz	UXDJDJUGXJJZAM-CXAGYDPISA-N	-1	0	320.389	0.962	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1	ZINC001588432007	983466709	/nfs/dbraw/zinc/46/67/09/983466709.db2.gz	UTGCWOZGZOYSIK-DGCLKSJQSA-N	-1	0	304.346	0.538	20	30		DCEDRM
C#CCCN1CCN(CC(=O)c2cc(C(=O)[O-])[nH]c2C)CC1	ZINC001588453633	983476635	/nfs/dbraw/zinc/47/66/35/983476635.db2.gz	IYKFWOOJYOHDMJ-UHFFFAOYSA-N	-1	0	303.362	0.845	20	30		DCEDRM
C#CCCn1nnnc1N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1	ZINC001588458211	983482774	/nfs/dbraw/zinc/48/27/74/983482774.db2.gz	KVWZUBBEHVVZON-SECBINFHSA-N	-1	0	318.362	0.845	20	30		DCEDRM
C#CCN(C1CSC1)S(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC001588464760	983494245	/nfs/dbraw/zinc/49/42/45/983494245.db2.gz	JCHFTMCIJVRMMC-UHFFFAOYSA-N	-1	0	312.372	0.519	20	30		DCEDRM
C#CCN(CC1CC1)C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001588467811	983499580	/nfs/dbraw/zinc/49/95/80/983499580.db2.gz	HAGZFODQIOUOHE-UHFFFAOYSA-N	-1	0	303.318	0.832	20	30		DCEDRM
C#CCN1CCCC[C@H]1c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C	ZINC001588477415	983516489	/nfs/dbraw/zinc/51/64/89/983516489.db2.gz	PSGUSDULPOIXSQ-STQMWFEESA-N	-1	0	317.393	0.886	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588478717	983518001	/nfs/dbraw/zinc/51/80/01/983518001.db2.gz	JMOZWBLSCPSMII-GFCCVEGCSA-N	-1	0	304.302	0.214	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588490521	983532584	/nfs/dbraw/zinc/53/25/84/983532584.db2.gz	OLSFAHSKQVMBIM-LRDDRELGSA-N	-1	0	309.362	0.633	20	30		DCEDRM
C#CCOCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	ZINC001588491868	983538154	/nfs/dbraw/zinc/53/81/54/983538154.db2.gz	YZQSLZOGBNUMSW-ZJUUUORDSA-N	-1	0	322.283	0.931	20	30		DCEDRM
C#CCOc1ccccc1CNS(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001588504967	983549576	/nfs/dbraw/zinc/54/95/76/983549576.db2.gz	PWZLYIVBWNSRJD-UHFFFAOYSA-N	-1	0	323.370	0.983	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1	ZINC001588517938	983566942	/nfs/dbraw/zinc/56/69/42/983566942.db2.gz	JZAUDBMVQKCOJP-GXTWGEPZSA-N	-1	0	323.370	0.684	20	30		DCEDRM
C#Cc1cccc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c1	ZINC001588518163	983568177	/nfs/dbraw/zinc/56/81/77/983568177.db2.gz	SXMAZLULSZOQHJ-AWEZNQCLSA-N	-1	0	314.341	0.607	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N[C@@H](COCC=C)C(=O)[O-])cc1	ZINC001588518271	983569111	/nfs/dbraw/zinc/56/91/11/983569111.db2.gz	ZCUKOJDCDUVDTG-ZDUSSCGKSA-N	-1	0	309.343	0.602	20	30		DCEDRM
C=C(Br)CNC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588529231	983580278	/nfs/dbraw/zinc/58/02/78/983580278.db2.gz	UBVVXBYFTIHDHS-UHFFFAOYSA-N	-1	0	315.123	0.571	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588533976	983585190	/nfs/dbraw/zinc/58/51/90/983585190.db2.gz	CNSSIVCMAOXZLX-SLEUVZQESA-N	-1	0	312.366	0.853	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CN1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588536155	983592454	/nfs/dbraw/zinc/59/24/54/983592454.db2.gz	UXPLCDRCCJTGSP-KNZXXDILSA-N	-1	0	308.334	0.609	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-]	ZINC001588542444	983608353	/nfs/dbraw/zinc/60/83/53/983608353.db2.gz	HSIUPLMJJROWPD-CYBMUJFWSA-N	-1	0	315.333	0.740	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(N2CCOCC2)ncn1)C(=O)[O-]	ZINC001588546393	983615190	/nfs/dbraw/zinc/61/51/90/983615190.db2.gz	IYTJKXQUHZZQCT-GFCCVEGCSA-N	-1	0	320.349	0.462	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(C[C@H](C)C(=O)[O-])C1CC1	ZINC001596231175	983625850	/nfs/dbraw/zinc/62/58/50/983625850.db2.gz	HTZRIOPTCAKHJK-QWRGUYRKSA-N	-1	0	317.411	0.898	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1ccc2c(c1)C(=O)NCCO2)C(=O)[O-]	ZINC001588549084	983626579	/nfs/dbraw/zinc/62/65/79/983626579.db2.gz	XEYAMXCUJSWVLE-LBPRGKRZSA-N	-1	0	318.329	0.958	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC001596231682	983627149	/nfs/dbraw/zinc/62/71/49/983627149.db2.gz	RYZVNCDJGJZPOK-VWYCJHECSA-N	-1	0	303.384	0.556	20	30		DCEDRM
C=C(C)CN(CC)C(=O)CN1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588563487	983645558	/nfs/dbraw/zinc/64/55/58/983645558.db2.gz	XALILNRQIDTBRT-OAHLLOKOSA-N	-1	0	309.366	0.716	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC001588614559	983707823	/nfs/dbraw/zinc/70/78/23/983707823.db2.gz	XHEXHEKITPMNAP-MNOVXSKESA-N	-1	0	301.364	0.586	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(S(=O)(=O)C2CC2)CC1	ZINC001588614982	983709359	/nfs/dbraw/zinc/70/93/59/983709359.db2.gz	GOJMBKBWVNXIOF-UHFFFAOYSA-N	-1	0	316.379	0.044	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O	ZINC001588624375	983731755	/nfs/dbraw/zinc/73/17/55/983731755.db2.gz	GZNSGKQYPWSHQL-BMIGLBTASA-N	-1	0	323.349	0.244	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NN1C(=O)NC2(CCCCC2)C1=O	ZINC001588630221	983742297	/nfs/dbraw/zinc/74/22/97/983742297.db2.gz	GCZLKIFOLSBWAA-UHFFFAOYSA-N	-1	0	309.322	0.693	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)s1	ZINC001588630381	983743299	/nfs/dbraw/zinc/74/32/99/983743299.db2.gz	YNTGWDYNFIOKEW-UHFFFAOYSA-N	-1	0	318.376	0.433	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)NC)cc1	ZINC001588633488	983749451	/nfs/dbraw/zinc/74/94/51/983749451.db2.gz	JFBWZLBUWCFKHA-UHFFFAOYSA-N	-1	0	312.347	0.954	20	30		DCEDRM
CCN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cncc(C#N)n1	ZINC001596326056	983758762	/nfs/dbraw/zinc/75/87/62/983758762.db2.gz	BHYIJHZBPRIURZ-RYUDHWBXSA-N	-1	0	317.349	0.402	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cncc(C#N)n1	ZINC001596333177	983771651	/nfs/dbraw/zinc/77/16/51/983771651.db2.gz	NSIBFEBGHKJKNJ-MNOVXSKESA-N	-1	0	303.322	0.011	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588671524	983821277	/nfs/dbraw/zinc/82/12/77/983821277.db2.gz	COBZDWVJDPNBCO-BJDJZHNGSA-N	-1	0	308.378	0.930	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O	ZINC001588673293	983829914	/nfs/dbraw/zinc/82/99/14/983829914.db2.gz	QBZVYQHNDVFLNM-TVQRCGJNSA-N	-1	0	303.380	0.593	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCC[C@@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588684435	983859716	/nfs/dbraw/zinc/85/97/16/983859716.db2.gz	QTUNKLLYAJXKCP-MEBBXXQBSA-N	-1	0	322.365	0.231	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC001588692471	983882613	/nfs/dbraw/zinc/88/26/13/983882613.db2.gz	CESIUUVOYODEGJ-SECBINFHSA-N	-1	0	322.317	0.649	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC	ZINC001588692776	983886567	/nfs/dbraw/zinc/88/65/67/983886567.db2.gz	JRAQADZNDAHXCT-VIFPVBQESA-N	-1	0	322.317	0.649	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12	ZINC001588693082	983890096	/nfs/dbraw/zinc/89/00/96/983890096.db2.gz	QVVAGRSGXFBCNC-ZIBATOQPSA-N	-1	0	310.350	0.159	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001588743695	984039226	/nfs/dbraw/zinc/03/92/26/984039226.db2.gz	BROUYTYAEFXCSM-SECBINFHSA-N	-1	0	310.281	0.516	20	30		DCEDRM
C=CCC1(C(=O)O[C@H](CC(=O)OC)C(=O)[O-])CCOCC1	ZINC001588767043	984127599	/nfs/dbraw/zinc/12/75/99/984127599.db2.gz	GCGKRSSHRDAFLB-SNVBAGLBSA-N	-1	0	300.307	0.919	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)CC1	ZINC001588768732	984130925	/nfs/dbraw/zinc/13/09/25/984130925.db2.gz	CJHCPXRZJVYOFN-NEPJUHHUSA-N	-1	0	324.377	0.238	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1	ZINC001588769179	984132894	/nfs/dbraw/zinc/13/28/94/984132894.db2.gz	OTEFZOVNVAJPCC-GFCCVEGCSA-N	-1	0	322.361	0.206	20	30		DCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)Nc2nn(C)cc2C(=O)[O-])C1	ZINC001588772696	984144650	/nfs/dbraw/zinc/14/46/50/984144650.db2.gz	LYXLJVUGJOIJLP-VIFPVBQESA-N	-1	0	306.322	0.481	20	30		DCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588778061	984158785	/nfs/dbraw/zinc/15/87/85/984158785.db2.gz	SCXIJMJZIHAIPX-NSHDSACASA-N	-1	0	305.396	0.878	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1cc2n(n1)C[C@H](C)NC2)C(=O)[O-]	ZINC001588793286	984217617	/nfs/dbraw/zinc/21/76/17/984217617.db2.gz	VOYMJEKIVWNQDV-JQWIXIFHSA-N	-1	0	306.366	0.914	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)Cc1nc2ncccn2n1)C(=O)[O-]	ZINC001588794239	984225865	/nfs/dbraw/zinc/22/58/65/984225865.db2.gz	OYGDLHJJLYQYML-SNVBAGLBSA-N	-1	0	303.322	0.593	20	30		DCEDRM
C=CCCOCCn1nnnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588813607	984270257	/nfs/dbraw/zinc/27/02/57/984270257.db2.gz	WYXCVDAGSIBUEK-FZMZJTMJSA-N	-1	0	309.370	0.813	20	30		DCEDRM
C=CCN(C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)C1CC1	ZINC001588819827	984279242	/nfs/dbraw/zinc/27/92/42/984279242.db2.gz	DNDTZOFAEUXVBJ-DNIRFERGSA-N	-1	0	306.362	0.779	20	30		DCEDRM
C=CCNC(=O)NC(=O)CNC(C)(C)c1nocc1C(=O)[O-]	ZINC001588843853	984354698	/nfs/dbraw/zinc/35/46/98/984354698.db2.gz	JHPVTFDYRUDDDY-UHFFFAOYSA-N	-1	0	310.310	0.209	20	30		DCEDRM
C=CCNc1ncc(C(=O)NCCn2cc(C(=O)[O-])nn2)s1	ZINC001588849169	984368953	/nfs/dbraw/zinc/36/89/53/984368953.db2.gz	BOJJKLFDTYZREN-UHFFFAOYSA-N	-1	0	322.350	0.461	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C1	ZINC001588850083	984378288	/nfs/dbraw/zinc/37/82/88/984378288.db2.gz	WQUKAENYCPOSSU-MCIGGMRASA-N	-1	0	310.350	0.159	20	30		DCEDRM
C=CCOCC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588850078	984378506	/nfs/dbraw/zinc/37/85/06/984378506.db2.gz	WPCUSTUJGPZLDS-NEPJUHHUSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=CCOCC(=O)N(C)[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001588850121	984379490	/nfs/dbraw/zinc/37/94/90/984379490.db2.gz	YBFUNHFNFJECEU-GFCCVEGCSA-N	-1	0	320.349	0.415	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@](C)(NC(C)=O)C(C)C)C(=O)[O-]	ZINC001588851188	984383732	/nfs/dbraw/zinc/38/37/32/984383732.db2.gz	XTOOSOVKASGLJP-FZMZJTMJSA-N	-1	0	300.355	0.309	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CNC(=O)Nc1ccccc1)C(=O)[O-]	ZINC001588854028	984387913	/nfs/dbraw/zinc/38/79/13/984387913.db2.gz	OCHUOSMCATWSEB-GFCCVEGCSA-N	-1	0	321.333	0.580	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC(c2ccccn2)=NO1)C(=O)[O-]	ZINC001588856017	984396427	/nfs/dbraw/zinc/39/64/27/984396427.db2.gz	UIDIAHVRPWAHJX-STQMWFEESA-N	-1	0	319.317	0.347	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@]1(C2CCCC2)CCNC1=O)C(=O)[O-]	ZINC001588856344	984399037	/nfs/dbraw/zinc/39/90/37/984399037.db2.gz	YETUHAGMHLBAJW-WBMJQRKESA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c(C)nc2ccnn2c1C)C(=O)[O-]	ZINC001588856480	984400320	/nfs/dbraw/zinc/40/03/20/984400320.db2.gz	JXACNSFAHSOCMS-LLVKDONJSA-N	-1	0	318.333	0.732	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCN1CC(F)(F)F)C(=O)[O-]	ZINC001588856456	984400529	/nfs/dbraw/zinc/40/05/29/984400529.db2.gz	ZPYWAVFXTGKABP-NXEZZACHSA-N	-1	0	324.299	0.785	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1[nH]c(C)c(C(N)=O)c1CC)C(=O)[O-]	ZINC001588856994	984402553	/nfs/dbraw/zinc/40/25/53/984402553.db2.gz	UPJBOWIFVXLJKT-SNVBAGLBSA-N	-1	0	323.349	0.370	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)OC)C(=O)[O-]	ZINC001588857467	984403554	/nfs/dbraw/zinc/40/35/54/984403554.db2.gz	ZKQCTNSBMPJUSH-GRYCIOLGSA-N	-1	0	313.350	0.738	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnc2ccccc2c1O)C(=O)[O-]	ZINC001588859632	984407018	/nfs/dbraw/zinc/40/70/18/984407018.db2.gz	RTJWXYUNXVFBBA-ZDUSSCGKSA-N	-1	0	316.313	0.914	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccsc1C(=O)[O-])C(=O)OC	ZINC001588860230	984411723	/nfs/dbraw/zinc/41/17/23/984411723.db2.gz	NBIYHIRVZFWQKR-VIFPVBQESA-N	-1	0	313.331	0.920	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-]	ZINC001588866041	984422447	/nfs/dbraw/zinc/42/24/47/984422447.db2.gz	HXUUEXDSOCECJH-NSHDSACASA-N	-1	0	321.301	0.899	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccccc1N)C(=O)[O-]	ZINC001588866805	984427737	/nfs/dbraw/zinc/42/77/37/984427737.db2.gz	QQMQZWTWWBQJGL-JTQLQIEISA-N	-1	0	300.336	0.203	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588879010	984456304	/nfs/dbraw/zinc/45/63/04/984456304.db2.gz	QQDBDEPSEZKNJW-AOOOYVTPSA-N	-1	0	300.380	0.343	20	30		DCEDRM
C=CCn1c(N2CC[C@@](OC)(C(=O)[O-])C2)nnc1C(C)(C)O	ZINC001588903956	984525298	/nfs/dbraw/zinc/52/52/98/984525298.db2.gz	BLGVHNPKGJZDMQ-AWEZNQCLSA-N	-1	0	310.354	0.371	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)nn1	ZINC001588910114	984547883	/nfs/dbraw/zinc/54/78/83/984547883.db2.gz	LOTOACQVARRHGB-GFCCVEGCSA-N	-1	0	302.290	0.725	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC001588918059	984569202	/nfs/dbraw/zinc/56/92/02/984569202.db2.gz	UUNKAUZPLFJVKI-BJDJZHNGSA-N	-1	0	307.354	0.564	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC001588918060	984569281	/nfs/dbraw/zinc/56/92/81/984569281.db2.gz	UUNKAUZPLFJVKI-KXNHARMFSA-N	-1	0	307.354	0.564	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001588918020	984569391	/nfs/dbraw/zinc/56/93/91/984569391.db2.gz	QBCIKYSMCPPQOW-QWRGUYRKSA-N	-1	0	303.380	0.752	20	30		DCEDRM
CC#CCCCC(=O)N(C)CCNc1ccnc(C(=O)[O-])n1	ZINC001588924751	984583188	/nfs/dbraw/zinc/58/31/88/984583188.db2.gz	DIQBQKUQDSGLCJ-UHFFFAOYSA-N	-1	0	304.350	0.661	20	30		DCEDRM
CC#CCCNC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001588927386	984598798	/nfs/dbraw/zinc/59/87/98/984598798.db2.gz	VPKHUSOSMPUKQS-UHFFFAOYSA-N	-1	0	318.285	0.582	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001599898842	984788481	/nfs/dbraw/zinc/78/84/81/984788481.db2.gz	BHDWXPCTLFLCHJ-UWVGGRQHSA-N	-1	0	303.318	0.460	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCN(C(=O)[C@H](C)C#N)C(C)C)c1[O-]	ZINC001384322980	985506813	/nfs/dbraw/zinc/50/68/13/985506813.db2.gz	WOUYAMJOTDAORW-SNVBAGLBSA-N	-1	0	321.381	0.892	20	30		DCEDRM
CC(C)[C@@H](CCNC(=O)[C@H](C)C#N)Nc1ccnc(C(=O)[O-])n1	ZINC001589329884	986168212	/nfs/dbraw/zinc/16/82/12/986168212.db2.gz	VODRNQUOELALOX-GHMZBOCLSA-N	-1	0	319.365	0.699	20	30		DCEDRM
C[C@H](C(=O)N(C)CCC#N)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001589340108	986247094	/nfs/dbraw/zinc/24/70/94/986247094.db2.gz	VQEGZNCHFUHARP-QMTHXVAHSA-N	-1	0	308.338	0.052	20	30		DCEDRM
C[C@H](C(=O)OCc1ccc(C(=O)[O-])cn1)n1cnc(C#N)n1	ZINC001589548942	987281809	/nfs/dbraw/zinc/28/18/09/987281809.db2.gz	TZXRHDUOBMIFKD-MRVPVSSYSA-N	-1	0	301.262	0.547	20	30		DCEDRM
CC(C)(C(=O)NCC[C@H](O)C(=O)[O-])c1cc(F)cc(C#N)c1	ZINC001589571039	987341277	/nfs/dbraw/zinc/34/12/77/987341277.db2.gz	VWCJVODBEMUIBF-LBPRGKRZSA-N	-1	0	308.309	0.927	20	30		DCEDRM
CCc1ccc([C@H](C#N)NC(=O)Cn2cc(C(=O)[O-])nn2)cc1	ZINC001597508392	988087218	/nfs/dbraw/zinc/08/72/18/988087218.db2.gz	PBTHEFZHNJGVMN-LBPRGKRZSA-N	-1	0	313.317	0.920	20	30		DCEDRM
CC(C)(C)N1C[C@@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1=O	ZINC001589796496	988195280	/nfs/dbraw/zinc/19/52/80/988195280.db2.gz	ROEXLTOOFWIORT-NSHDSACASA-N	-1	0	321.377	0.850	20	30		DCEDRM
C[C@@H]1CCCC[C@@]1(C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001450897260	1015434373	/nfs/dbraw/zinc/43/43/73/1015434373.db2.gz	FYBZWHDPFMVDOJ-MEBBXXQBSA-N	-1	0	304.350	0.906	20	30		DCEDRM
Cc1cc(=O)n2nc(NC(=O)c3sccc3C#N)[n-]c2n1	ZINC001527344849	1015452054	/nfs/dbraw/zinc/45/20/54/1015452054.db2.gz	JBTHPXMOUXAEIK-UHFFFAOYSA-N	-1	0	300.303	0.912	20	30		DCEDRM
CCn1c(CCCC#N)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC001597850862	989593663	/nfs/dbraw/zinc/59/36/63/989593663.db2.gz	RISQQWJLUYNUFQ-GHMZBOCLSA-N	-1	0	307.354	0.823	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC001590615386	990290081	/nfs/dbraw/zinc/29/00/81/990290081.db2.gz	UVXVPDFSXQADAU-HNNXBMFYSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CC(C)C#CC(=O)NCC1(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001590927914	990937486	/nfs/dbraw/zinc/93/74/86/990937486.db2.gz	NVCOHKDJKJKLDZ-QWHCGFSZSA-N	-1	0	320.389	0.769	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001590927874	990937572	/nfs/dbraw/zinc/93/75/72/990937572.db2.gz	LZHUNCABFZOIOF-XYPYZODXSA-N	-1	0	302.334	0.315	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001590928063	990938501	/nfs/dbraw/zinc/93/85/01/990938501.db2.gz	PVOQMJXYGIYFGV-ZDEQEGDKSA-N	-1	0	306.362	0.378	20	30		DCEDRM
COc1cccc([C@H](NC(=O)Cn2cnc(C#N)n2)C(=O)[O-])c1	ZINC001599686974	991003177	/nfs/dbraw/zinc/00/31/77/991003177.db2.gz	UAYRXZJRUHJFKH-ZDUSSCGKSA-N	-1	0	315.289	0.100	20	30		DCEDRM
CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001598364256	991505413	/nfs/dbraw/zinc/50/54/13/991505413.db2.gz	DSGNSVDSMSOFRM-LBPRGKRZSA-N	-1	0	311.319	0.083	20	30		DCEDRM
CS(=O)(=O)N1CCCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001599755986	992053520	/nfs/dbraw/zinc/05/35/20/992053520.db2.gz	UJYKYUSWSDIECY-UHFFFAOYSA-N	-1	0	324.362	0.123	20	30		DCEDRM
CS(=O)(=O)N1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1	ZINC001599756883	992065821	/nfs/dbraw/zinc/06/58/21/992065821.db2.gz	SXHJULSGFGCLRI-UHFFFAOYSA-N	-1	0	323.374	0.334	20	30		DCEDRM
CN(CCCN(C)c1ccc(C#N)cn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001598478412	992110535	/nfs/dbraw/zinc/11/05/35/992110535.db2.gz	NBQMTMGYVKFTJO-OLZOCXBDSA-N	-1	0	316.361	0.959	20	30		DCEDRM
CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cccc(F)c1C#N	ZINC001598489822	992270395	/nfs/dbraw/zinc/27/03/95/992270395.db2.gz	AFBQZXKVUNVTRE-ZJUUUORDSA-N	-1	0	305.309	0.970	20	30		DCEDRM
CC(C)N(CCN(C)C(=O)C#CC1CC1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001591590617	992801014	/nfs/dbraw/zinc/80/10/14/992801014.db2.gz	AIAJEXXDFVGHLQ-KBPBESRZSA-N	-1	0	320.389	0.816	20	30		DCEDRM
CN1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598589391	993429784	/nfs/dbraw/zinc/42/97/84/993429784.db2.gz	ZZNZBXDGJKILHI-JTQLQIEISA-N	-1	0	309.347	0.239	20	30		DCEDRM
COc1cccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c1OC	ZINC001599681196	994984844	/nfs/dbraw/zinc/98/48/44/994984844.db2.gz	NCMPMCVPNZEPOL-UHFFFAOYSA-N	-1	0	314.319	0.303	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001598714515	995389284	/nfs/dbraw/zinc/38/92/84/995389284.db2.gz	WAFBRGOXFJRWNQ-BBRMVZONSA-N	-1	0	318.329	0.948	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cc(C#N)oc1C	ZINC001598744427	995579265	/nfs/dbraw/zinc/57/92/65/995579265.db2.gz	GZQAIQXPGIXVQL-JOYOIKCWSA-N	-1	0	320.301	0.938	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)o1	ZINC001598750605	995647294	/nfs/dbraw/zinc/64/72/94/995647294.db2.gz	KKBRSBSBHQLHRN-PSASIEDQSA-N	-1	0	306.274	0.630	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)o1	ZINC001598750606	995648625	/nfs/dbraw/zinc/64/86/25/995648625.db2.gz	KKBRSBSBHQLHRN-SCZZXKLOSA-N	-1	0	306.274	0.630	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)n1C	ZINC001598751139	995655182	/nfs/dbraw/zinc/65/51/82/995655182.db2.gz	LVSWMYQLRICTIT-CABZTGNLSA-N	-1	0	319.317	0.375	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](O)CN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001598757596	995739733	/nfs/dbraw/zinc/73/97/33/995739733.db2.gz	POHVNJVUNRNYRY-BDAKNGLRSA-N	-1	0	305.290	0.012	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](O)CN(Cc2cccc(C(=O)[O-])c2C#N)C1	ZINC001598759873	995764510	/nfs/dbraw/zinc/76/45/10/995764510.db2.gz	YFTMPTZZLCXQRW-RYUDHWBXSA-N	-1	0	318.329	0.612	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(C#N)ccn1	ZINC001598777279	995943507	/nfs/dbraw/zinc/94/35/07/995943507.db2.gz	LQSVXQAOMDEWAC-DGCLKSJQSA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)Nc2ccnc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC001598814348	996257184	/nfs/dbraw/zinc/25/71/84/996257184.db2.gz	KQXVZLWPSYEGRU-GHMZBOCLSA-N	-1	0	318.289	0.291	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2ccsc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598821681	996335389	/nfs/dbraw/zinc/33/53/89/996335389.db2.gz	LMAAXBBKAJSNJU-DTWKUNHWSA-N	-1	0	308.315	0.566	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CCO1	ZINC001593743560	996369096	/nfs/dbraw/zinc/36/90/96/996369096.db2.gz	UENSDKJXUCSGAT-NSHDSACASA-N	-1	0	302.352	0.186	20	30		DCEDRM
COC(=O)CC1CC(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001598845850	996565552	/nfs/dbraw/zinc/56/55/52/996565552.db2.gz	KRUSZXJMYBMUOB-UHFFFAOYSA-N	-1	0	323.349	0.728	20	30		DCEDRM
COC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598859545	996663200	/nfs/dbraw/zinc/66/32/00/996663200.db2.gz	FUZYJRSVJSTKRY-UHFFFAOYSA-N	-1	0	312.303	0.050	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(CC(=O)Nc2cccc(C#N)c2)C1	ZINC001599076960	996894665	/nfs/dbraw/zinc/89/46/65/996894665.db2.gz	BTGOEGGFQWTYBL-OAHLLOKOSA-N	-1	0	303.318	0.672	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])n(CN2CCC[C@H](CC#N)C2)n1	ZINC001598921491	997571894	/nfs/dbraw/zinc/57/18/94/997571894.db2.gz	DZIAWINZEVDPLF-SNVBAGLBSA-N	-1	0	306.322	0.951	20	30		DCEDRM
CO[C@H]1CCN(C(=O)Cc2noc(C)c2C#N)[C@@H](C(=O)[O-])C1	ZINC001599117467	997680489	/nfs/dbraw/zinc/68/04/89/997680489.db2.gz	HHOFKPKFOAVTQP-JOYOIKCWSA-N	-1	0	307.306	0.488	20	30		DCEDRM
COc1c(NC(=O)C(=O)N[C@@H](C)CC#N)cccc1C(=O)[O-]	ZINC001599335516	997828797	/nfs/dbraw/zinc/82/87/97/997828797.db2.gz	BATYUIHXNZHCBD-QMMMGPOBSA-N	-1	0	305.290	0.750	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001599349271	998065818	/nfs/dbraw/zinc/06/58/18/998065818.db2.gz	MFWKMOKQJRPCLE-DGCLKSJQSA-N	-1	0	304.302	0.617	20	30		DCEDRM
COc1cc(S(=O)(=O)N(CC#N)CC(=O)[O-])cnc1Cl	ZINC001599457882	998219467	/nfs/dbraw/zinc/21/94/67/998219467.db2.gz	STDYIZMOFPQOMB-UHFFFAOYSA-N	-1	0	319.726	0.342	20	30		DCEDRM
COCCOc1cc(C(=O)[O-])ccc1NC(=O)NCC#CCO	ZINC001599255239	998299469	/nfs/dbraw/zinc/29/94/69/998299469.db2.gz	JIGPAKOPHHWSQM-UHFFFAOYSA-N	-1	0	322.317	0.527	20	30		DCEDRM
COC(=O)c1sc(N)c(C(=O)[O-])c1Cn1cnc(C#N)n1	ZINC001599021037	998979722	/nfs/dbraw/zinc/97/97/22/998979722.db2.gz	RKZJUNJJKSWBPD-UHFFFAOYSA-N	-1	0	307.291	0.327	20	30		DCEDRM
CC[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@@H](CC)O1	ZINC001469192912	1016319652	/nfs/dbraw/zinc/31/96/52/1016319652.db2.gz	ARDCWWDZWCBRQW-VXGBXAGGSA-N	-1	0	320.349	0.237	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)CSCC#N)c1[O-]	ZINC001505617305	1016361034	/nfs/dbraw/zinc/36/10/34/1016361034.db2.gz	VCDJEHGNCJGETG-SECBINFHSA-N	-1	0	323.378	0.011	20	30		DCEDRM
C=CC(C)(C)CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001470192985	1016397850	/nfs/dbraw/zinc/39/78/50/1016397850.db2.gz	FYUBMDSKFJGOIX-UHFFFAOYSA-N	-1	0	305.338	0.332	20	30		DCEDRM
CC(C)[C@@]1(C)C[C@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001470361888	1016426454	/nfs/dbraw/zinc/42/64/54/1016426454.db2.gz	ZRVFLSINSFSJHW-XHDPSFHLSA-N	-1	0	304.350	0.619	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)NC[C@H](C)N(C)C(=O)[C@H](C)C#N	ZINC001426770940	1004023611	/nfs/dbraw/zinc/02/36/11/1004023611.db2.gz	FHPHEGOOVHXNDI-BDAKNGLRSA-N	-1	0	305.338	0.227	20	30		DCEDRM
Cc1cc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)ccc1C(N)=O	ZINC001472834980	1016860767	/nfs/dbraw/zinc/86/07/67/1016860767.db2.gz	LNOOMTVJWJLMAF-UHFFFAOYSA-N	-1	0	300.274	0.145	20	30		DCEDRM
N#CC1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCSCC1	ZINC001545827380	1004275315	/nfs/dbraw/zinc/27/53/15/1004275315.db2.gz	LCVIIAGQYIBTJZ-UHFFFAOYSA-N	-1	0	311.367	0.375	20	30		DCEDRM
Cc1csc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001417604525	1005849858	/nfs/dbraw/zinc/84/98/58/1005849858.db2.gz	VUBOCYIQVIAGEA-UHFFFAOYSA-N	-1	0	319.346	0.292	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC(OCCO)CC1	ZINC001417682463	1005866976	/nfs/dbraw/zinc/86/69/76/1005866976.db2.gz	PPGHRETZKMJXOO-UHFFFAOYSA-N	-1	0	305.334	0.581	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](C)c1nncn1C	ZINC001417717227	1005875000	/nfs/dbraw/zinc/87/50/00/1005875000.db2.gz	NKDDYDNVHUJSJQ-SECBINFHSA-N	-1	0	300.322	0.629	20	30		DCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)Cc1ccc(OCC#N)cc1	ZINC001418188356	1006145526	/nfs/dbraw/zinc/14/55/26/1006145526.db2.gz	NFYAZRFRDOJUJQ-UHFFFAOYSA-N	-1	0	302.290	0.466	20	30		DCEDRM
CC[C@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(=O)NC	ZINC001436820555	1006390224	/nfs/dbraw/zinc/39/02/24/1006390224.db2.gz	UKZUEJORCLPGAI-VIFPVBQESA-N	-1	0	308.363	0.635	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccn(CC(F)(F)F)n1)C(=O)[O-]	ZINC001520167619	1017252836	/nfs/dbraw/zinc/25/28/36/1017252836.db2.gz	PXDWVQVEDJFNJO-VIFPVBQESA-N	-1	0	321.255	0.831	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2ccc(F)cc2)c(=O)[n-]c1=O	ZINC001440412901	1007739898	/nfs/dbraw/zinc/73/98/98/1007739898.db2.gz	VJOFRQSCQIZGAW-UHFFFAOYSA-N	-1	0	302.265	0.276	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)NC1(CC(=O)[O-])COC1	ZINC001574245719	1163672990	/nfs/dbraw/zinc/67/29/90/1163672990.db2.gz	YUWAHWGKEYTVSK-UHFFFAOYSA-N	-1	0	314.294	0.219	20	30		DCEDRM
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001453845766	1008757471	/nfs/dbraw/zinc/75/74/71/1008757471.db2.gz	UIJPPQIHDWAQOC-KLHWPWHYSA-N	-1	0	302.334	0.229	20	30		DCEDRM
C[C@@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccco1	ZINC001453845557	1008758640	/nfs/dbraw/zinc/75/86/40/1008758640.db2.gz	TUZVHEMHAAKHHK-SECBINFHSA-N	-1	0	302.290	0.333	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCCC[C@H]1C(N)=O	ZINC001433754640	1009149781	/nfs/dbraw/zinc/14/97/81/1009149781.db2.gz	MIVQRLHTFJNLMR-GHMZBOCLSA-N	-1	0	302.334	0.741	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCCC[C@H]1C(N)=O	ZINC001433754641	1009149981	/nfs/dbraw/zinc/14/99/81/1009149981.db2.gz	MIVQRLHTFJNLMR-MNOVXSKESA-N	-1	0	302.334	0.741	20	30		DCEDRM
C=C(Br)CN(C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001442379460	1009242930	/nfs/dbraw/zinc/24/29/30/1009242930.db2.gz	SAAOHSDLANVPBY-UHFFFAOYSA-N	-1	0	317.187	0.994	20	30		DCEDRM
N#Cc1cccc([C@@H]2CN(C(=O)CCc3nnn[n-]3)CCO2)c1	ZINC001433875691	1009290530	/nfs/dbraw/zinc/29/05/30/1009290530.db2.gz	RXRCRCOXKIOWIG-ZDUSSCGKSA-N	-1	0	312.333	0.604	20	30		DCEDRM
CC1(C)SC[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001433933949	1009366062	/nfs/dbraw/zinc/36/60/62/1009366062.db2.gz	WPFDMIGHQYTZAA-VIFPVBQESA-N	-1	0	308.363	0.221	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1	ZINC001433948410	1009386919	/nfs/dbraw/zinc/38/69/19/1009386919.db2.gz	HYADAJGHMMXNPE-MNOVXSKESA-N	-1	0	316.317	0.538	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@@H]2CCCC23CC3)c(=O)[n-]c1=O	ZINC001434248937	1009697012	/nfs/dbraw/zinc/69/70/12/1009697012.db2.gz	RTXNTRDTEZSTQE-LBPRGKRZSA-N	-1	0	316.361	0.907	20	30		DCEDRM
Cc1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc(C)c1C#N	ZINC001443445134	1010410187	/nfs/dbraw/zinc/41/01/87/1010410187.db2.gz	WECBCSPHFLNIIZ-ZDUSSCGKSA-N	-1	0	312.333	0.902	20	30		DCEDRM
C#CCOCCC(=O)NC1CCN(c2nc(C)cc(=O)[nH]2)CC1	ZINC001520737598	1017305620	/nfs/dbraw/zinc/30/56/20/1017305620.db2.gz	GYRWUGZCHYWAHN-UHFFFAOYSA-N	-1	0	318.377	0.616	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001534303425	1011566528	/nfs/dbraw/zinc/56/65/28/1011566528.db2.gz	CMUQUNRBXNIJRB-QMMMGPOBSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C[C@@H]1CC(=O)NCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001459887115	1012836106	/nfs/dbraw/zinc/83/61/06/1012836106.db2.gz	QNGJYTDOUFRDFY-SECBINFHSA-N	-1	0	300.322	0.017	20	30		DCEDRM
C#CCCCC(=O)N[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])C1CC1	ZINC001493529177	1019494595	/nfs/dbraw/zinc/49/45/95/1019494595.db2.gz	YFFRDUCKHXAUEZ-LBPRGKRZSA-N	-1	0	318.377	0.852	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(CC)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001496711070	1019561762	/nfs/dbraw/zinc/56/17/62/1019561762.db2.gz	BRWVTXNCLRZKDC-HNNXBMFYSA-N	-1	0	324.381	0.329	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCc1c(C)nn(C)c1C)C(=O)[O-]	ZINC001609432211	1170973941	/nfs/dbraw/zinc/97/39/41/1170973941.db2.gz	JEFJKXWEWLHMMC-CYBMUJFWSA-N	-1	0	309.366	0.742	20	30		DCEDRM
CC(C)(C)[C@@](C)(C#N)NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001609653866	1171060564	/nfs/dbraw/zinc/06/05/64/1171060564.db2.gz	XRVCRXNRDGNTIJ-GFCCVEGCSA-N	-1	0	314.367	0.574	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1ccc(OCC)nc1)C(=O)[O-]	ZINC000274941558	186445858	/nfs/dbraw/zinc/44/58/58/186445858.db2.gz	QZRXAPOUNBNVPM-JTQLQIEISA-N	-1	0	300.336	0.788	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccncn2)c1	ZINC000158773494	291232488	/nfs/dbraw/zinc/23/24/88/291232488.db2.gz	YXJQECKIMOKBQN-SNAWJCMRSA-N	-1	0	314.326	0.867	20	30		DCEDRM
N#CC1(CS(=O)(=O)N(CCC(=O)[O-])Cc2ccncc2)CC1	ZINC000275076924	238305283	/nfs/dbraw/zinc/30/52/83/238305283.db2.gz	CPTHTNUAAWBHMB-UHFFFAOYSA-N	-1	0	323.374	0.992	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000420525204	240041028	/nfs/dbraw/zinc/04/10/28/240041028.db2.gz	FGKJKVXKYKMCEY-GHMZBOCLSA-N	-1	0	317.345	0.915	20	30		DCEDRM
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCCC(=O)[O-]	ZINC000420591120	240047679	/nfs/dbraw/zinc/04/76/79/240047679.db2.gz	LASORRUTKKGIDS-CYBMUJFWSA-N	-1	0	304.346	0.881	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000422686697	240176577	/nfs/dbraw/zinc/17/65/77/240176577.db2.gz	UQQCGWPJOAIFNK-OAHLLOKOSA-N	-1	0	319.292	0.959	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000105827605	194138872	/nfs/dbraw/zinc/13/88/72/194138872.db2.gz	XSXNFMYPTAVWBE-UHFFFAOYSA-N	-1	0	306.303	0.853	20	30		DCEDRM
C[C@H](CO)NS(=O)(=O)c1cc(Br)ccc1C#N	ZINC000340042298	253189860	/nfs/dbraw/zinc/18/98/60/253189860.db2.gz	BMAYLUDEWXLSFY-SSDOTTSWSA-N	-1	0	319.180	0.980	20	30		DCEDRM
COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)n1	ZINC000340504105	253269304	/nfs/dbraw/zinc/26/93/04/253269304.db2.gz	HCLQSEAVFIWCFQ-UHFFFAOYSA-N	-1	0	321.318	0.124	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(N(C)C)n[nH]1	ZINC000351110665	254333335	/nfs/dbraw/zinc/33/33/35/254333335.db2.gz	RFOCINBAXUFYEA-UHFFFAOYSA-N	-1	0	322.350	0.552	20	30		DCEDRM
COc1ccc2c(c1)O/C(=C\c1cn(CC(=O)[O-])nn1)C2=O	ZINC000378269326	533277393	/nfs/dbraw/zinc/27/73/93/533277393.db2.gz	GHGVSPOCCNZWEI-QCDXTXTGSA-N	-1	0	301.258	0.988	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c(Cl)c1	ZINC000126046436	395909289	/nfs/dbraw/zinc/90/92/89/395909289.db2.gz	PDEMRVIMAJMIKG-VIFPVBQESA-N	-1	0	318.738	0.326	20	30		DCEDRM
C=CCSCCNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000231937698	395886419	/nfs/dbraw/zinc/88/64/19/395886419.db2.gz	IRAISWFAXLPQJC-JTQLQIEISA-N	-1	0	308.425	0.537	20	30		DCEDRM
COCC[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000071238826	396110966	/nfs/dbraw/zinc/11/09/66/396110966.db2.gz	AQOYYOUJJSMXPA-LLVKDONJSA-N	-1	0	316.310	0.465	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2cccnc2C#N)C1	ZINC000263199572	396206071	/nfs/dbraw/zinc/20/60/71/396206071.db2.gz	MFBGAPNPAMYZRK-ZJUUUORDSA-N	-1	0	309.347	0.685	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000263196318	396206215	/nfs/dbraw/zinc/20/62/15/396206215.db2.gz	LWLNDUHXPOQOGF-NXEZZACHSA-N	-1	0	309.347	0.685	20	30		DCEDRM
N#Cc1ccc(CN2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)cc1	ZINC000079592783	396267623	/nfs/dbraw/zinc/26/76/23/396267623.db2.gz	ZCDYMSCYZFUYDI-UHFFFAOYSA-N	-1	0	312.333	0.340	20	30		DCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000263551396	396220753	/nfs/dbraw/zinc/22/07/53/396220753.db2.gz	LCMXTLWOVBATJK-MRVPVSSYSA-N	-1	0	300.311	0.932	20	30		DCEDRM
C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)N(C)C	ZINC000190585330	396408502	/nfs/dbraw/zinc/40/85/02/396408502.db2.gz	VNYWREHMEJKFOG-ZETCQYMHSA-N	-1	0	317.317	0.591	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCSC)CC(=O)[O-]	ZINC000594683822	396496650	/nfs/dbraw/zinc/49/66/50/396496650.db2.gz	ZAJZJSLFWXEPBA-JTQLQIEISA-N	-1	0	323.440	0.462	20	30		DCEDRM
COCCOCCS(=O)(=O)[N-]c1cc(C#N)ccc1OC	ZINC000269936348	396455477	/nfs/dbraw/zinc/45/54/77/396455477.db2.gz	FGXRYVSXLQBFHZ-UHFFFAOYSA-N	-1	0	314.363	0.972	20	30		DCEDRM
COC[C@@H](CCO)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000270366456	396464997	/nfs/dbraw/zinc/46/49/97/396464997.db2.gz	ILURYFOLBWKUJN-SECBINFHSA-N	-1	0	320.317	0.512	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)NCc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000594528511	396483704	/nfs/dbraw/zinc/48/37/04/396483704.db2.gz	BUJRGRQBHJZDRP-MRVPVSSYSA-N	-1	0	323.736	0.665	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@H](C)c1cnn(C)c1C)C(=O)[O-]	ZINC000581407128	396551778	/nfs/dbraw/zinc/55/17/78/396551778.db2.gz	XIOIZKPSIJEISC-BXKDBHETSA-N	-1	0	310.354	0.745	20	30		DCEDRM
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[N-]OCC1CC1	ZINC000293680862	396624923	/nfs/dbraw/zinc/62/49/23/396624923.db2.gz	BCAUXYWJXPVLNZ-JTQLQIEISA-N	-1	0	323.374	0.683	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC000584838249	396628301	/nfs/dbraw/zinc/62/83/01/396628301.db2.gz	QEEVSTSXWNBTBZ-UWVGGRQHSA-N	-1	0	312.347	0.649	20	30		DCEDRM
CC(C)C[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)CC(=O)[O-]	ZINC000595971984	396699778	/nfs/dbraw/zinc/69/97/78/396699778.db2.gz	YNCDJWMGCJJUEP-JTQLQIEISA-N	-1	0	322.365	0.505	20	30		DCEDRM
N#CCCn1ncc2c1ncnc2N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1O	ZINC000595979301	396701814	/nfs/dbraw/zinc/70/18/14/396701814.db2.gz	SAYMSNPWXDDPPI-IEBDPFPHSA-N	-1	0	316.321	0.376	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000589974767	396733366	/nfs/dbraw/zinc/73/33/66/396733366.db2.gz	FZQHIVBCFNMCFJ-SNVBAGLBSA-N	-1	0	302.283	0.075	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1	ZINC000629780993	396830599	/nfs/dbraw/zinc/83/05/99/396830599.db2.gz	VMOOCMOHJWFFHO-YNEHKIRRSA-N	-1	0	308.378	0.980	20	30		DCEDRM
CC(CO)(CO)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000590588668	396805051	/nfs/dbraw/zinc/80/50/51/396805051.db2.gz	HROKHLHPCXDDOK-UHFFFAOYSA-N	-1	0	320.317	0.106	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])o1	ZINC000600655973	396907073	/nfs/dbraw/zinc/90/70/73/396907073.db2.gz	BOXGHLIIVDAPIH-ZETCQYMHSA-N	-1	0	306.246	0.634	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc2c[nH]nc2c1)C(=O)[O-]	ZINC000630186886	396957083	/nfs/dbraw/zinc/95/70/83/396957083.db2.gz	ZKLSFAVABLGGHU-CYBMUJFWSA-N	-1	0	303.318	0.877	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc2c[nH]nc2c1)C(=O)[O-]	ZINC000630186888	396957146	/nfs/dbraw/zinc/95/71/46/396957146.db2.gz	ZKLSFAVABLGGHU-ZDUSSCGKSA-N	-1	0	303.318	0.877	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2-n2cncn2)o1	ZINC000377177482	397042069	/nfs/dbraw/zinc/04/20/69/397042069.db2.gz	FDSVCWZJJGVIRR-UHFFFAOYSA-N	-1	0	316.302	0.928	20	30		DCEDRM
N#CCc1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000592211277	397133641	/nfs/dbraw/zinc/13/36/41/397133641.db2.gz	OAGZIJKSZLBDLP-ZDUSSCGKSA-N	-1	0	303.318	0.748	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1cccc(CC#N)c1	ZINC000619471347	397134975	/nfs/dbraw/zinc/13/49/75/397134975.db2.gz	IGMFCJZWOPPHGF-UHFFFAOYSA-N	-1	0	312.347	0.474	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)CCCCC1	ZINC000619708725	397178885	/nfs/dbraw/zinc/17/88/85/397178885.db2.gz	ARNNOFZPVOEUHS-CYBMUJFWSA-N	-1	0	316.379	0.624	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1	ZINC000377605220	397111909	/nfs/dbraw/zinc/11/19/09/397111909.db2.gz	ZTZWXZVQJNKOJB-GFCCVEGCSA-N	-1	0	314.305	0.050	20	30		DCEDRM
C[C@@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC000592457550	397183354	/nfs/dbraw/zinc/18/33/54/397183354.db2.gz	KLUOMSAYIRYSPI-BXKDBHETSA-N	-1	0	309.347	0.685	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)cc1	ZINC000573578268	397184933	/nfs/dbraw/zinc/18/49/33/397184933.db2.gz	LLFYRSOHVJHODU-WCQYABFASA-N	-1	0	324.358	0.404	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]23)[n-]c1C#N	ZINC000598663376	397270424	/nfs/dbraw/zinc/27/04/24/397270424.db2.gz	XUHFNPFMFRNIOQ-AEJSXWLSSA-N	-1	0	312.333	0.786	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCCc3ccccc32)c(=O)[n-]c1=O	ZINC000602031393	397287377	/nfs/dbraw/zinc/28/73/77/397287377.db2.gz	UMLDZTWODGSBJS-UHFFFAOYSA-N	-1	0	310.313	0.800	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC000598745185	397288686	/nfs/dbraw/zinc/28/86/86/397288686.db2.gz	LEPJHDGLHPXXPF-GFCCVEGCSA-N	-1	0	311.301	0.988	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-]	ZINC000593221756	397339006	/nfs/dbraw/zinc/33/90/06/397339006.db2.gz	DJVCEIKGQJVBSK-QWRGUYRKSA-N	-1	0	319.383	0.031	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000593269816	397346196	/nfs/dbraw/zinc/34/61/96/397346196.db2.gz	PTKPZMSZTFOKAR-LLVKDONJSA-N	-1	0	319.383	0.032	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](CC1CCC1)C(=O)[O-]	ZINC000593272349	397346678	/nfs/dbraw/zinc/34/66/78/397346678.db2.gz	IDRVTIZEBFIACT-ONGXEEELSA-N	-1	0	303.384	0.556	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCCc1csc(C)n1)C(=O)[O-]	ZINC000577696748	397351208	/nfs/dbraw/zinc/35/12/08/397351208.db2.gz	SGUZRJFSJNVWHK-LLVKDONJSA-N	-1	0	313.379	0.949	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CC(C3CCCC3)C2)c(=O)[n-]c1=O	ZINC000602144489	397320072	/nfs/dbraw/zinc/32/00/72/397320072.db2.gz	WITXEDPUSCJBCT-UHFFFAOYSA-N	-1	0	316.361	0.859	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N(CCO)CCC(=O)[O-]	ZINC000614376042	397429296	/nfs/dbraw/zinc/42/92/96/397429296.db2.gz	ZOQLVKIBDYKFKE-UHFFFAOYSA-N	-1	0	312.347	0.324	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1=O	ZINC000614394190	397431453	/nfs/dbraw/zinc/43/14/53/397431453.db2.gz	OVBUDWYEFYPHJW-JTQLQIEISA-N	-1	0	316.317	0.787	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])CCC1	ZINC000593944995	397485173	/nfs/dbraw/zinc/48/51/73/397485173.db2.gz	CWBDAMSICTZSIQ-LBPRGKRZSA-N	-1	0	323.374	0.691	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC[C@@H]1C(=O)[O-]	ZINC000599616019	397486826	/nfs/dbraw/zinc/48/68/26/397486826.db2.gz	CZOFTPCLXPTDKH-ONGXEEELSA-N	-1	0	316.317	0.461	20	30		DCEDRM
COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000494608849	397531593	/nfs/dbraw/zinc/53/15/93/397531593.db2.gz	VNLGFPMQRFCHGT-UHFFFAOYSA-N	-1	0	305.356	0.215	20	30		DCEDRM
C=C(C)COCCNS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC000579828867	397594209	/nfs/dbraw/zinc/59/42/09/397594209.db2.gz	WREXFDGKCWUDPL-UHFFFAOYSA-N	-1	0	300.336	0.651	20	30		DCEDRM
C=CCOc1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1	ZINC000606117589	397677774	/nfs/dbraw/zinc/67/77/74/397677774.db2.gz	QHSBRDLVGNOIII-UHFFFAOYSA-N	-1	0	302.294	0.019	20	30		DCEDRM
N#Cc1ccc(N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c(F)c1	ZINC000092618399	158114797	/nfs/dbraw/zinc/11/47/97/158114797.db2.gz	IRBITCMFRLPXKR-UHFFFAOYSA-N	-1	0	302.313	0.431	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2cccnc2C#N)C1	ZINC000263199571	158862413	/nfs/dbraw/zinc/86/24/13/158862413.db2.gz	MFBGAPNPAMYZRK-VHSXEESVSA-N	-1	0	309.347	0.685	20	30		DCEDRM
COC(=O)Cn1cc([N-]S(=O)(=O)c2cncc(C#N)c2)cn1	ZINC000320469443	159010039	/nfs/dbraw/zinc/01/00/39/159010039.db2.gz	ZNBCYBSEHGMLLJ-UHFFFAOYSA-N	-1	0	321.318	0.124	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1	ZINC000330129420	159143858	/nfs/dbraw/zinc/14/38/58/159143858.db2.gz	JZYSBIVHFUGPJU-LLVKDONJSA-N	-1	0	314.301	0.540	20	30		DCEDRM
Cc1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)no1	ZINC000122151696	286957243	/nfs/dbraw/zinc/95/72/43/286957243.db2.gz	JULXDYOBJJSIBW-UHFFFAOYSA-N	-1	0	323.290	0.636	20	30		DCEDRM
C=C1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1	ZINC000267650334	415149238	/nfs/dbraw/zinc/14/92/38/415149238.db2.gz	UNTVEXSAIABGNX-UHFFFAOYSA-N	-1	0	322.346	0.777	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC(=O)NC2)c(F)c1	ZINC000342586460	415218616	/nfs/dbraw/zinc/21/86/16/415218616.db2.gz	KLGVVGBMRZFKOQ-MRVPVSSYSA-N	-1	0	315.301	0.393	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)[N-]OCCCOC	ZINC000288310660	415678940	/nfs/dbraw/zinc/67/89/40/415678940.db2.gz	SDNUWRYMRGVSNV-UHFFFAOYSA-N	-1	0	324.308	0.861	20	30		DCEDRM
N#CCCn1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)n1	ZINC000117740919	415732926	/nfs/dbraw/zinc/73/29/26/415732926.db2.gz	NTOKUDCOEMLYNK-UHFFFAOYSA-N	-1	0	302.319	0.864	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])c1	ZINC000290724537	415822312	/nfs/dbraw/zinc/82/23/12/415822312.db2.gz	VISFGGOVPWRUDZ-MRVPVSSYSA-N	-1	0	305.262	0.340	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1	ZINC000291063907	415829256	/nfs/dbraw/zinc/82/92/56/415829256.db2.gz	KKGMSEDKVREIJY-CYBMUJFWSA-N	-1	0	308.359	0.521	20	30		DCEDRM
CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccccc2C#N)C1=O	ZINC000298680455	416021148	/nfs/dbraw/zinc/02/11/48/416021148.db2.gz	XJLODJVJLMUBFU-CYBMUJFWSA-N	-1	0	322.346	0.472	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccnc3ncnn32)cn1	ZINC000358804653	416277090	/nfs/dbraw/zinc/27/70/90/416277090.db2.gz	UJNTUZXQHGGIGG-UHFFFAOYSA-N	-1	0	301.291	0.192	20	30		DCEDRM
COC(=O)c1nscc1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000359486195	416347952	/nfs/dbraw/zinc/34/79/52/416347952.db2.gz	SUOSLQNQBJUUFC-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(C#N)cc1F	ZINC000534512114	416503624	/nfs/dbraw/zinc/50/36/24/416503624.db2.gz	NREPBHSBXAJIPA-QMMMGPOBSA-N	-1	0	320.367	0.409	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)C1CCCC1	ZINC000491405247	416597581	/nfs/dbraw/zinc/59/75/81/416597581.db2.gz	HQWSUORANVYDTR-QWHCGFSZSA-N	-1	0	320.389	0.960	20	30		DCEDRM
CC#CCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000439268350	416610336	/nfs/dbraw/zinc/61/03/36/416610336.db2.gz	BUQMTDCDRHKVJR-UHFFFAOYSA-N	-1	0	313.345	0.460	20	30		DCEDRM
C#C[C@H]1COCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000491732348	416620347	/nfs/dbraw/zinc/62/03/47/416620347.db2.gz	LKAOIPDCMGBGAK-NSHDSACASA-N	-1	0	305.359	0.343	20	30		DCEDRM
N#Cc1cccc(Cl)c1N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424462458	416647825	/nfs/dbraw/zinc/64/78/25/416647825.db2.gz	ARNVQDILASMWTF-SNVBAGLBSA-N	-1	0	314.750	0.900	20	30		DCEDRM
Cc1cccc2[nH]c(C(C#N)=C([O-])c3cn(CC(N)=O)nn3)nc21	ZINC000442729848	416709656	/nfs/dbraw/zinc/70/96/56/416709656.db2.gz	BXXDILPVOHWBCP-VIFPVBQESA-N	-1	0	323.316	0.438	20	30		DCEDRM
N#Cc1cccnc1[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1	ZINC000443149241	416733650	/nfs/dbraw/zinc/73/36/50/416733650.db2.gz	VOOYPTRTDRHWHJ-NSHDSACASA-N	-1	0	319.346	0.912	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000517481670	416805331	/nfs/dbraw/zinc/80/53/31/416805331.db2.gz	CBCYBGMMKFXMGW-LBPRGKRZSA-N	-1	0	311.363	0.535	20	30		DCEDRM
C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)CC1(CC#N)CC1	ZINC000521632300	417022949	/nfs/dbraw/zinc/02/29/49/417022949.db2.gz	RLQGWJHCBLFYFL-SNVBAGLBSA-N	-1	0	304.368	0.168	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)[N-]c2nc3ncccn3n2)c1	ZINC000619569658	417249322	/nfs/dbraw/zinc/24/93/22/417249322.db2.gz	MYVMFIFHKFUZLC-UHFFFAOYSA-N	-1	0	314.330	0.991	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F	ZINC000570455131	417355630	/nfs/dbraw/zinc/35/56/30/417355630.db2.gz	MODBLMIRTDIYJI-SFYZADRCSA-N	-1	0	313.326	0.411	20	30		DCEDRM
C=C(C)COCCNC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000574592092	417486403	/nfs/dbraw/zinc/48/64/03/417486403.db2.gz	OURLYVLVFIBRBM-RYUDHWBXSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@H](CC2(OC)CCC2)C(=O)[O-])nn1	ZINC000652111539	417847242	/nfs/dbraw/zinc/84/72/42/417847242.db2.gz	XAEJRFIHAQOBIE-LLVKDONJSA-N	-1	0	322.365	0.996	20	30		DCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1	ZINC000662905121	417945135	/nfs/dbraw/zinc/94/51/35/417945135.db2.gz	CTEHBBDVWKEOTF-NEPJUHHUSA-N	-1	0	310.350	0.113	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccc(OC)c1F)C(=O)[O-]	ZINC000656157052	418331520	/nfs/dbraw/zinc/33/15/20/418331520.db2.gz	DQEPIXLIUIIOCL-VIFPVBQESA-N	-1	0	315.322	0.979	20	30		DCEDRM
CCN(C)C(=O)[C@H](C)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000356569334	261441178	/nfs/dbraw/zinc/44/11/78/261441178.db2.gz	ULNFOJBVUSKTIP-QMMMGPOBSA-N	-1	0	322.390	0.977	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000417427807	262251925	/nfs/dbraw/zinc/25/19/25/262251925.db2.gz	JRPYWZUVBZRKII-SNVBAGLBSA-N	-1	0	312.322	0.934	20	30		DCEDRM
Cn1nccc1/C=C/C(=O)[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000493618847	268135238	/nfs/dbraw/zinc/13/52/38/268135238.db2.gz	CDWXWKLTUTWGGY-HWKANZROSA-N	-1	0	317.330	0.205	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)c1	ZINC000357104594	271043213	/nfs/dbraw/zinc/04/32/13/271043213.db2.gz	MKVMPFQYPNFEIS-UHFFFAOYSA-N	-1	0	314.326	0.997	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1cccc(C#N)c1)[C@@H](C)C(=O)[O-]	ZINC000262518117	278108441	/nfs/dbraw/zinc/10/84/41/278108441.db2.gz	NFYFYYYRAZDRTB-JTQLQIEISA-N	-1	0	303.318	0.610	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC000548536052	288151443	/nfs/dbraw/zinc/15/14/43/288151443.db2.gz	OWDLSQOMZGLCPO-YPMHNXCESA-N	-1	0	324.358	0.635	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2cnc(C#N)cn2)C1=O	ZINC000416451275	280188053	/nfs/dbraw/zinc/18/80/53/280188053.db2.gz	ZCVSGPIUAKUXDZ-ZYHUDNBSSA-N	-1	0	303.322	0.470	20	30		DCEDRM
N#Cc1cccc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1	ZINC000564972632	288799139	/nfs/dbraw/zinc/79/91/39/288799139.db2.gz	LIBKOTZLOWYMNF-LLVKDONJSA-N	-1	0	319.346	0.912	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1	ZINC000583945515	331478692	/nfs/dbraw/zinc/47/86/92/331478692.db2.gz	YMTQGNXNFXCLJB-DGCLKSJQSA-N	-1	0	324.358	0.404	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)(F)F	ZINC000556776210	331730832	/nfs/dbraw/zinc/73/08/32/331730832.db2.gz	XDUQMGNOFQWCTH-ZETCQYMHSA-N	-1	0	317.289	0.319	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCCCO[C@H]1CCOC1)C(=O)[O-]	ZINC000562974010	333000402	/nfs/dbraw/zinc/00/04/02/333000402.db2.gz	GHIVYAZYMKFWOY-NWDGAFQWSA-N	-1	0	300.355	0.901	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC000568002948	333517193	/nfs/dbraw/zinc/51/71/93/333517193.db2.gz	QVNOJYYTFNWDDN-YPMHNXCESA-N	-1	0	317.411	0.899	20	30		DCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C	ZINC000048518447	334287265	/nfs/dbraw/zinc/28/72/65/334287265.db2.gz	STCMBHONOAUMHD-UHFFFAOYSA-N	-1	0	304.328	0.038	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000519536104	335872877	/nfs/dbraw/zinc/87/28/77/335872877.db2.gz	HYFIOESYUSVFQX-NOOOWODRSA-N	-1	0	315.395	0.650	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)[O-]	ZINC000583697278	337083224	/nfs/dbraw/zinc/08/32/24/337083224.db2.gz	ZQIRDPDEBCLGJH-KOLCDFICSA-N	-1	0	319.383	0.125	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000422642419	337683381	/nfs/dbraw/zinc/68/33/81/337683381.db2.gz	DTACBLYKBMIXTO-JTQLQIEISA-N	-1	0	324.308	0.906	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)CC1	ZINC000422832112	337688376	/nfs/dbraw/zinc/68/83/76/337688376.db2.gz	XOYNOAPXUPULPT-DGCLKSJQSA-N	-1	0	308.378	0.980	20	30		DCEDRM
C#CCN(Cc1ccc(F)cc1)C(=O)c1cnc([O-])n(C)c1=O	ZINC000490779367	339839977	/nfs/dbraw/zinc/83/99/77/339839977.db2.gz	VNJUOLKLRMNTCY-UHFFFAOYSA-N	-1	0	315.304	0.901	20	30		DCEDRM
C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)cc2[O-])CC1	ZINC000491770080	339879907	/nfs/dbraw/zinc/87/99/07/339879907.db2.gz	LRXUAFLEAIHFLI-UHFFFAOYSA-N	-1	0	319.336	0.039	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCNC(=O)OCC)CC1	ZINC000496181583	340000041	/nfs/dbraw/zinc/00/00/41/340000041.db2.gz	NYRIGZPFXQFBJH-UHFFFAOYSA-N	-1	0	304.368	0.677	20	30		DCEDRM
COC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000496777216	340012712	/nfs/dbraw/zinc/01/27/12/340012712.db2.gz	QXFOEGOBCFNBAH-JTQLQIEISA-N	-1	0	319.383	0.507	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc2c(c1)ncn2C)C(=O)[O-]	ZINC000543787240	341058870	/nfs/dbraw/zinc/05/88/70/341058870.db2.gz	LFKMBLKJZURLHD-NSHDSACASA-N	-1	0	321.358	0.718	20	30		DCEDRM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCOC[C@@H]2C#N)c1C	ZINC000545558049	341130442	/nfs/dbraw/zinc/13/04/42/341130442.db2.gz	PYHQYECSWQGEHW-LBPRGKRZSA-N	-1	0	324.358	0.915	20	30		DCEDRM
Cc1ccc(-n2[n-]c(C(=O)N[C@]3(C#N)CCOC3)cc2=O)cc1	ZINC000547489589	341216992	/nfs/dbraw/zinc/21/69/92/341216992.db2.gz	AMSOEZMJRKBPEB-INIZCTEOSA-N	-1	0	312.329	0.887	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1	ZINC000547872141	341238692	/nfs/dbraw/zinc/23/86/92/341238692.db2.gz	OPKFPAFULFYTAG-LLVKDONJSA-N	-1	0	313.335	0.198	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cc(Cl)cnc1N	ZINC000547906356	341239054	/nfs/dbraw/zinc/23/90/54/341239054.db2.gz	KZOUOMVSIYEBFF-UHFFFAOYSA-N	-1	0	305.743	0.579	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCn2cccc2[C@H]1C(=O)[O-]	ZINC000565594832	341532087	/nfs/dbraw/zinc/53/20/87/341532087.db2.gz	ZYKKUEMKEMAHPA-NSHDSACASA-N	-1	0	312.351	0.020	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCC1(C(=O)[O-])CCCC1	ZINC000566312619	341553755	/nfs/dbraw/zinc/55/37/55/341553755.db2.gz	ORMWIUKEWONEDN-SNVBAGLBSA-N	-1	0	303.384	0.557	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-]	ZINC000568000766	341644886	/nfs/dbraw/zinc/64/48/86/341644886.db2.gz	CARNWBDJJFGCOT-ZJUUUORDSA-N	-1	0	321.399	0.323	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CC[C@@H]2CC[C@@H](C(=O)[O-])C[C@@H]21	ZINC000568811606	341682357	/nfs/dbraw/zinc/68/23/57/341682357.db2.gz	LGUUZXMSYRDCLI-TUAOUCFPSA-N	-1	0	315.395	0.652	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000568872220	341683955	/nfs/dbraw/zinc/68/39/55/341683955.db2.gz	WJNMQGFPOLADBA-NSHDSACASA-N	-1	0	310.331	0.227	20	30		DCEDRM
C[C@H](O)[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000577713430	341930996	/nfs/dbraw/zinc/93/09/96/341930996.db2.gz	QIDCKPXGKBDHJG-VHSXEESVSA-N	-1	0	304.368	0.214	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCSC[C@@H]2C#N)oc1C(=O)[O-]	ZINC001600295174	1159778690	/nfs/dbraw/zinc/77/86/90/1159778690.db2.gz	QUSCHKHDAQSCAN-QMMMGPOBSA-N	-1	0	316.360	0.916	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(C)c(C(=O)OC)o1)C(=O)[O-]	ZINC001602698774	1159784827	/nfs/dbraw/zinc/78/48/27/1159784827.db2.gz	UZUDPDLOBWUHPL-QMMMGPOBSA-N	-1	0	315.303	0.129	20	30		DCEDRM
C=CCCOCC(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001567928454	1160540944	/nfs/dbraw/zinc/54/09/44/1160540944.db2.gz	JCJLYEOFPSYIHY-LLVKDONJSA-N	-1	0	309.370	0.136	20	30		DCEDRM
Cc1ccc(-n2[n-]c(C(=O)N3CCOC[C@H]3C#N)cc2=O)cc1	ZINC000268142183	534236703	/nfs/dbraw/zinc/23/67/03/534236703.db2.gz	VIRAOBRBGGWFGE-CYBMUJFWSA-N	-1	0	312.329	0.839	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]CC2(CO)COC2)c(F)c1	ZINC000129077896	526557498	/nfs/dbraw/zinc/55/74/98/526557498.db2.gz	MEXARPBVNMLJID-UHFFFAOYSA-N	-1	0	318.301	0.124	20	30		DCEDRM
C=CCNC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O	ZINC000343795981	526639275	/nfs/dbraw/zinc/63/92/75/526639275.db2.gz	SEICZXODXOMTLX-UHFFFAOYSA-N	-1	0	311.363	0.932	20	30		DCEDRM
C#CCCS(=O)(=O)[N-][C@H](CO)c1nc(-c2ccccc2)no1	ZINC000367450859	526750616	/nfs/dbraw/zinc/75/06/16/526750616.db2.gz	MUEYZDCASOIALN-GFCCVEGCSA-N	-1	0	321.358	0.713	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](NC(C)=O)C1CCCC1)C(=O)[O-]	ZINC000263055476	526806549	/nfs/dbraw/zinc/80/65/49/526806549.db2.gz	QEKQEXJURUKFNX-QWHCGFSZSA-N	-1	0	312.366	0.453	20	30		DCEDRM
C=CCOc1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1OC	ZINC000262519460	526847040	/nfs/dbraw/zinc/84/70/40/526847040.db2.gz	NPBPINADEIZNJB-HNNXBMFYSA-N	-1	0	309.318	0.825	20	30		DCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)C(=O)[O-])cc1	ZINC000263235515	527046951	/nfs/dbraw/zinc/04/69/51/527046951.db2.gz	BNRLNKBZXWSOQJ-SNVBAGLBSA-N	-1	0	324.358	0.143	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-]	ZINC000159588605	527175752	/nfs/dbraw/zinc/17/57/52/527175752.db2.gz	DHTSSMVGGFSZQT-JTQLQIEISA-N	-1	0	312.303	0.658	20	30		DCEDRM
C=CCC[C@@H](NC(=O)Cn1nc2ccccn2c1=O)C(=O)[O-]	ZINC000262836191	527438502	/nfs/dbraw/zinc/43/85/02/527438502.db2.gz	GHKUBOSHRVKTBY-SNVBAGLBSA-N	-1	0	304.306	0.032	20	30		DCEDRM
C=CCC[C@H](NC(=O)c1sccc1-n1cnnn1)C(=O)[O-]	ZINC000262866824	527482582	/nfs/dbraw/zinc/48/25/82/527482582.db2.gz	JEZPUSNVAJDHKE-QMMMGPOBSA-N	-1	0	307.335	0.873	20	30		DCEDRM
C=CCN(C(=O)c1cc(C(=O)[O-])co1)[C@@H]1CCS(=O)(=O)C1	ZINC000262371039	527547780	/nfs/dbraw/zinc/54/77/80/527547780.db2.gz	LSTQIPNXEINLJW-SNVBAGLBSA-N	-1	0	313.331	0.793	20	30		DCEDRM
CC(C)O[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000295740842	528048418	/nfs/dbraw/zinc/04/84/18/528048418.db2.gz	STATYZFVOHBTMF-SNVBAGLBSA-N	-1	0	311.363	0.681	20	30		DCEDRM
N#CC(C(=O)CSCC(=O)[O-])c1nnc2n1CCCCC2	ZINC000740304375	597105888	/nfs/dbraw/zinc/10/58/88/597105888.db2.gz	UQJVKLXQNODBBU-VIFPVBQESA-N	-1	0	308.363	0.999	20	30		DCEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)[O-])c1	ZINC000737493577	597496338	/nfs/dbraw/zinc/49/63/38/597496338.db2.gz	CTYHLRYUCSDSTO-SECBINFHSA-N	-1	0	311.315	0.228	20	30		DCEDRM
N#CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC000819090779	597524304	/nfs/dbraw/zinc/52/43/04/597524304.db2.gz	BXCWLLSHRKYNIV-JTQLQIEISA-N	-1	0	317.301	0.461	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1COC2(CCOCC2)O1	ZINC000819835030	597609037	/nfs/dbraw/zinc/60/90/37/597609037.db2.gz	RNUZAXSGQCPEAQ-GXFFZTMASA-N	-1	0	312.322	0.029	20	30		DCEDRM
CC[C@@H](NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)C(=O)[O-]	ZINC000820405793	597612408	/nfs/dbraw/zinc/61/24/08/597612408.db2.gz	XNVMPFFQXFHMHL-VHSXEESVSA-N	-1	0	319.317	0.895	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCN1C(=O)c2ccccc2C1=O	ZINC000819873386	597615516	/nfs/dbraw/zinc/61/55/16/597615516.db2.gz	AWQFQEFKJNWOAZ-OAHLLOKOSA-N	-1	0	316.269	0.788	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC000819841535	597637682	/nfs/dbraw/zinc/63/76/82/597637682.db2.gz	AGJHOQPPUAFKKW-CQSZACIVSA-N	-1	0	301.306	0.486	20	30		DCEDRM
Cn1cc([C@@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2)cn1	ZINC000821287054	597654442	/nfs/dbraw/zinc/65/44/42/597654442.db2.gz	DAYJRRBLRDAUIT-SMDDNHRTSA-N	-1	0	306.322	0.325	20	30		DCEDRM
Cn1ccnc1-c1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n[nH]1	ZINC000821305212	597659548	/nfs/dbraw/zinc/65/95/48/597659548.db2.gz	SDCRHAKQYNVDNI-CYBMUJFWSA-N	-1	0	302.294	0.753	20	30		DCEDRM
CN(C)C(=O)CC1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820530650	597672925	/nfs/dbraw/zinc/67/29/25/597672925.db2.gz	YWHBPQDYSKEQJD-OAHLLOKOSA-N	-1	0	309.366	0.708	20	30		DCEDRM
N#CCn1cc(NC(=O)C(=O)Nc2ccccc2C(=O)[O-])cn1	ZINC000821324585	597714632	/nfs/dbraw/zinc/71/46/32/597714632.db2.gz	KJZDBNJPINJULF-UHFFFAOYSA-N	-1	0	313.273	0.682	20	30		DCEDRM
CNC(=O)c1cccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000820641559	598223715	/nfs/dbraw/zinc/22/37/15/598223715.db2.gz	UAOUGHKYGBRMLQ-HNNXBMFYSA-N	-1	0	303.318	0.667	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cnn(CC(=O)NC2CC2)c1	ZINC000819856715	598224743	/nfs/dbraw/zinc/22/47/43/598224743.db2.gz	MILDRXKBURBALX-CQSZACIVSA-N	-1	0	319.321	0.105	20	30		DCEDRM
C=CCN(CC=C)C(=O)Cn1ccc(C)c(-c2nnn[n-]2)c1=O	ZINC000819740253	607348922	/nfs/dbraw/zinc/34/89/22/607348922.db2.gz	WKSHCERCAYXPCG-UHFFFAOYSA-N	-1	0	314.349	0.537	20	30		DCEDRM
CCCCCCOCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000736447666	598473050	/nfs/dbraw/zinc/47/30/50/598473050.db2.gz	SOVOPXBLNCOMRH-UHFFFAOYSA-N	-1	0	318.341	0.997	20	30		DCEDRM
CCCCc1nc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)no1	ZINC000736465193	598717852	/nfs/dbraw/zinc/71/78/52/598717852.db2.gz	CEFUBHDBTFNLNW-UHFFFAOYSA-N	-1	0	314.313	0.291	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccnc(C3CC3)n2)[n-]c1-c1nn[nH]n1	ZINC000737706733	598759785	/nfs/dbraw/zinc/75/97/85/598759785.db2.gz	YTSWWWDZTFKQED-UHFFFAOYSA-N	-1	0	322.292	0.381	20	30		DCEDRM
C[C@@H]1CC[C@H](CCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)O1	ZINC000820689943	599313368	/nfs/dbraw/zinc/31/33/68/599313368.db2.gz	FDBMOWSIVUGKHK-HTQZYQBOSA-N	-1	0	316.325	0.748	20	30		DCEDRM
C=CCN(C(=O)CCSCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000736107949	599836128	/nfs/dbraw/zinc/83/61/28/599836128.db2.gz	BYWKRSUKTNPGOL-SNVBAGLBSA-N	-1	0	321.420	0.396	20	30		DCEDRM
C#CCNC(=O)CN1CCN(Cc2cccc(C(=O)[O-])c2)CC1	ZINC000736076440	599964779	/nfs/dbraw/zinc/96/47/79/599964779.db2.gz	PKNSBYPUHFAQNX-UHFFFAOYSA-N	-1	0	315.373	0.252	20	30		DCEDRM
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCO[C@H](C(=O)[O-])C1	ZINC000736218281	599972161	/nfs/dbraw/zinc/97/21/61/599972161.db2.gz	MKOVDZWLJAWPHA-GWCFXTLKSA-N	-1	0	303.318	0.671	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)CSc1ccc(C#N)cc1	ZINC000737604112	600007516	/nfs/dbraw/zinc/00/75/16/600007516.db2.gz	AKMBJGTWQUBRDR-UHFFFAOYSA-N	-1	0	322.342	0.737	20	30		DCEDRM
N#Cc1cccnc1N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC000739141872	600106845	/nfs/dbraw/zinc/10/68/45/600106845.db2.gz	BIPOJIBZGJCGHW-NWDGAFQWSA-N	-1	0	300.318	0.323	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CCN1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000229086478	600139931	/nfs/dbraw/zinc/13/99/31/600139931.db2.gz	PYUPOYUQGNXUSZ-ZJUUUORDSA-N	-1	0	309.347	0.468	20	30		DCEDRM
N#CCCN(C(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-])c1ccccc1	ZINC000739071910	600140560	/nfs/dbraw/zinc/14/05/60/600140560.db2.gz	AFSKAWYMROOYOJ-KGLIPLIRSA-N	-1	0	317.345	0.453	20	30		DCEDRM
N#Cc1ccc(CNC(=O)COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000739118815	600167362	/nfs/dbraw/zinc/16/73/62/600167362.db2.gz	XELRUSNARWQYAH-NWDGAFQWSA-N	-1	0	302.286	0.438	20	30		DCEDRM
N#CCCCOc1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1	ZINC000739072008	600332613	/nfs/dbraw/zinc/33/26/13/600332613.db2.gz	COPGYSCXHWPPCG-UHFFFAOYSA-N	-1	0	319.317	0.899	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@@H](NC(N)=O)c1cccs1	ZINC000739077519	600403695	/nfs/dbraw/zinc/40/36/95/600403695.db2.gz	PDEFYFAEZCQEFW-MRVPVSSYSA-N	-1	0	310.335	0.284	20	30		DCEDRM
C#CCNC(=O)CN1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1	ZINC000736075686	600404650	/nfs/dbraw/zinc/40/46/50/600404650.db2.gz	BEJGKKOJAKTRBL-MRXNPFEDSA-N	-1	0	315.373	0.179	20	30		DCEDRM
COC(=O)c1ccc(CCC(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000737697115	600405595	/nfs/dbraw/zinc/40/55/95/600405595.db2.gz	OIHZDPXVFALTMP-UHFFFAOYSA-N	-1	0	304.302	0.843	20	30		DCEDRM
C=C1c2ccccc2C(=O)N1CCC(=O)N(CC#N)CC(=O)[O-]	ZINC000736098293	600408656	/nfs/dbraw/zinc/40/86/56/600408656.db2.gz	RYOJQATWXRUIKU-UHFFFAOYSA-N	-1	0	313.313	0.940	20	30		DCEDRM
CCN(CC#N)C[C@@H](O)COc1ccc(C(=O)[O-])cc1OC	ZINC000737067742	600458433	/nfs/dbraw/zinc/45/84/33/600458433.db2.gz	MRAYXFRZTQRFLH-GFCCVEGCSA-N	-1	0	308.334	0.979	20	30		DCEDRM
N#Cc1ccc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)cn1	ZINC000738430747	600649142	/nfs/dbraw/zinc/64/91/42/600649142.db2.gz	ORUBRCSEBHIGKI-UHFFFAOYSA-N	-1	0	317.301	0.433	20	30		DCEDRM
C[C@H](OC(=O)C1(C#N)CCC1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000827810353	600678374	/nfs/dbraw/zinc/67/83/74/600678374.db2.gz	NDGUEZCMNQZJQH-JTQLQIEISA-N	-1	0	308.334	0.935	20	30		DCEDRM
COc1cc(C#N)ccc1OCCn1nc(C(=O)[O-])ccc1=O	ZINC000737844259	600688114	/nfs/dbraw/zinc/68/81/14/600688114.db2.gz	IZUCRSSBPFOIFP-UHFFFAOYSA-N	-1	0	315.285	0.901	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CNC(=O)c1cc2ccccc2[nH]1	ZINC000833066229	600891322	/nfs/dbraw/zinc/89/13/22/600891322.db2.gz	QXUKKHQHLKVYLS-UHFFFAOYSA-N	-1	0	314.301	0.334	20	30		DCEDRM
C#CCOc1ccc(C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])cc1	ZINC000736076587	600901100	/nfs/dbraw/zinc/90/11/00/600901100.db2.gz	RNNYVOKVDGDEHL-LBPRGKRZSA-N	-1	0	305.286	0.445	20	30		DCEDRM
Cc1c(C(=O)N(CC#N)CC(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000738258254	601019871	/nfs/dbraw/zinc/01/98/71/601019871.db2.gz	CEBNTYCDLFZKIW-UHFFFAOYSA-N	-1	0	322.233	0.862	20	30		DCEDRM
CCN(CC#N)S(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC000829619268	601213836	/nfs/dbraw/zinc/21/38/36/601213836.db2.gz	YICBPNJCLVYJLE-UHFFFAOYSA-N	-1	0	304.349	0.989	20	30		DCEDRM
COc1cc(C(=O)[O-])sc1S(=O)(=O)NC[C@@H](C)C#N	ZINC000831934597	601218117	/nfs/dbraw/zinc/21/81/17/601218117.db2.gz	PYLTUMQDTUENEY-LURJTMIESA-N	-1	0	304.349	0.893	20	30		DCEDRM
CC(=O)Nc1ccc(OC[C@@H](O)CN(CC#N)CC(=O)[O-])cc1	ZINC000825908169	601227145	/nfs/dbraw/zinc/22/71/45/601227145.db2.gz	PECQCLVCDGMYHG-ZDUSSCGKSA-N	-1	0	321.333	0.295	20	30		DCEDRM
C[C@@H](CS(=O)(=O)NCCNc1ncccc1C#N)C(=O)[O-]	ZINC000827562423	601275147	/nfs/dbraw/zinc/27/51/47/601275147.db2.gz	ABTAUCSNIKGXMQ-VIFPVBQESA-N	-1	0	312.351	0.005	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)C2CC(=O)NC(=O)C2)C(=O)[O-])c1	ZINC000833074844	601352141	/nfs/dbraw/zinc/35/21/41/601352141.db2.gz	FIOKFHUUTMKBOM-ZDUSSCGKSA-N	-1	0	316.269	0.280	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000819095573	601362178	/nfs/dbraw/zinc/36/21/78/601362178.db2.gz	ADILRQQAZOTTJS-QMMMGPOBSA-N	-1	0	305.265	0.569	20	30		DCEDRM
N#Cc1ccc(OC[C@@H](O)CN2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000833071813	601561922	/nfs/dbraw/zinc/56/19/22/601561922.db2.gz	PKRFPUPHCDJLTP-GXTWGEPZSA-N	-1	0	306.318	0.083	20	30		DCEDRM
COc1ccc2c(c1)C=C(C(=O)N(CC#N)CC(=O)[O-])CO2	ZINC000832486885	601680194	/nfs/dbraw/zinc/68/01/94/601680194.db2.gz	BXNJXJAWVIKWHP-UHFFFAOYSA-N	-1	0	302.286	0.908	20	30		DCEDRM
COC[C@](C)(NC(=O)Cc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC000831613564	601691529	/nfs/dbraw/zinc/69/15/29/601691529.db2.gz	YCAABKGAIOKDKQ-HNNXBMFYSA-N	-1	0	306.318	0.737	20	30		DCEDRM
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000828500608	601725004	/nfs/dbraw/zinc/72/50/04/601725004.db2.gz	VIVHHNIYKMUAQA-VWYCJHECSA-N	-1	0	315.333	0.106	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)[O-])CC1	ZINC000738200994	602800917	/nfs/dbraw/zinc/80/09/17/602800917.db2.gz	MENKAWQXBHLIIH-UHFFFAOYSA-N	-1	0	309.347	0.851	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])cn1	ZINC000831142441	603130519	/nfs/dbraw/zinc/13/05/19/603130519.db2.gz	YRKMIJYVTYPUBN-SKDRFNHKSA-N	-1	0	324.362	0.668	20	30		DCEDRM
C[C@@H](CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)NC(=O)[O-]	ZINC000824598633	603280861	/nfs/dbraw/zinc/28/08/61/603280861.db2.gz	GAFOXWPJEWQSNZ-NSHDSACASA-N	-1	0	317.349	0.648	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc2c1OCO2	ZINC000831091473	603589762	/nfs/dbraw/zinc/58/97/62/603589762.db2.gz	FPNORFPNKAJMBE-VIFPVBQESA-N	-1	0	303.274	0.743	20	30		DCEDRM
CC(C)(C)OC(=O)NCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000823818428	603593157	/nfs/dbraw/zinc/59/31/57/603593157.db2.gz	ZTKAPSMDQDYWBX-VIFPVBQESA-N	-1	0	312.326	0.225	20	30		DCEDRM
N#CC1CCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CC1	ZINC000831076782	603600922	/nfs/dbraw/zinc/60/09/22/603600922.db2.gz	SUGCRFJCSMGWRN-LBPRGKRZSA-N	-1	0	307.354	0.279	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1	ZINC000824054667	603722121	/nfs/dbraw/zinc/72/21/21/603722121.db2.gz	BLWGMQOORHRLGZ-CYBMUJFWSA-N	-1	0	308.382	0.679	20	30		DCEDRM
CN(C[C@H]1CCCN1C(=O)NC1CCN(CC#N)CC1)C(=O)[O-]	ZINC000828199637	603774956	/nfs/dbraw/zinc/77/49/56/603774956.db2.gz	QDYGOEMSYTZQAM-CYBMUJFWSA-N	-1	0	323.397	0.758	20	30		DCEDRM
N#CCNC(=O)COC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000831102855	603803893	/nfs/dbraw/zinc/80/38/93/603803893.db2.gz	WVGMQDPPGIANRL-FGWVZKOKSA-N	-1	0	309.322	0.480	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[O-]	ZINC000823456939	603810657	/nfs/dbraw/zinc/81/06/57/603810657.db2.gz	SFUFDVCQIANQRH-RVMXOQNASA-N	-1	0	322.361	0.979	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)C1	ZINC000831102310	603915742	/nfs/dbraw/zinc/91/57/42/603915742.db2.gz	GDZCSUCYMQETJT-UPJWGTAASA-N	-1	0	308.382	0.774	20	30		DCEDRM
C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824544167	603917442	/nfs/dbraw/zinc/91/74/42/603917442.db2.gz	NSMOGQHXRSJQIW-ONGXEEELSA-N	-1	0	316.383	0.149	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1Cc2cc(F)ccc2O1	ZINC000831076088	604071401	/nfs/dbraw/zinc/07/14/01/604071401.db2.gz	GKJSZCIEXQTBLH-WCQYABFASA-N	-1	0	319.292	0.844	20	30		DCEDRM
Cc1ncc(Cl)c(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000830813324	604075938	/nfs/dbraw/zinc/07/59/38/604075938.db2.gz	OLLBGIPRDHIEQD-MRVPVSSYSA-N	-1	0	309.713	0.766	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccc(C=O)cc1	ZINC000831083208	604087307	/nfs/dbraw/zinc/08/73/07/604087307.db2.gz	XRWAHNBKKQSNGB-GFCCVEGCSA-N	-1	0	317.301	0.592	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](C)CN(C)C(=O)[O-])CC1	ZINC000824842250	604136440	/nfs/dbraw/zinc/13/64/40/604136440.db2.gz	XGVKPHOCMGSGMY-OLZOCXBDSA-N	-1	0	310.398	0.925	20	30		DCEDRM
CN(C(=O)[O-])[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1	ZINC000827893758	604233331	/nfs/dbraw/zinc/23/33/31/604233331.db2.gz	BDPLAZUEKMNNRM-LLVKDONJSA-N	-1	0	309.347	0.931	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)CC1(NC(=O)[O-])CCC1	ZINC000823511032	604235544	/nfs/dbraw/zinc/23/55/44/604235544.db2.gz	NPNFLXHWFXPNTA-UHFFFAOYSA-N	-1	0	313.310	0.122	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)n1	ZINC000833078434	604322015	/nfs/dbraw/zinc/32/20/15/604322015.db2.gz	KBVMJMJSGPJECZ-JTQLQIEISA-N	-1	0	311.301	0.755	20	30		DCEDRM
N#C[C@H](C(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCCC1	ZINC000831064558	604385634	/nfs/dbraw/zinc/38/56/34/604385634.db2.gz	JJCPQBJAYLAWAI-WDEREUQCSA-N	-1	0	309.322	0.087	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C#N)CCO1	ZINC000825372756	604450682	/nfs/dbraw/zinc/45/06/82/604450682.db2.gz	QZTIJIIKNQMDSN-KWQFWETISA-N	-1	0	321.293	0.723	20	30		DCEDRM
C#CCCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1	ZINC000833365385	604691117	/nfs/dbraw/zinc/69/11/17/604691117.db2.gz	QUPATWYZQGIADY-UHFFFAOYSA-N	-1	0	323.374	0.109	20	30		DCEDRM
N#Cc1cccc(CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831146259	604694206	/nfs/dbraw/zinc/69/42/06/604694206.db2.gz	MWLOVGLLSLFGBR-CYBMUJFWSA-N	-1	0	303.318	0.943	20	30		DCEDRM
N#Cc1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)nc1	ZINC000833072082	604698433	/nfs/dbraw/zinc/69/84/33/604698433.db2.gz	OFSKOVLWVJXAMH-UHFFFAOYSA-N	-1	0	301.262	0.029	20	30		DCEDRM
C=CCCS(=O)(=O)NC1(C(=O)[O-])CCC(C(=O)OC)CC1	ZINC000833374747	604702539	/nfs/dbraw/zinc/70/25/39/604702539.db2.gz	ATNOLEKYYYXSNN-UHFFFAOYSA-N	-1	0	319.379	0.669	20	30		DCEDRM
C=CCN(C[C@@H]1CC(C(=O)[O-])=C(C)O1)[C@@H]1CCS(=O)(=O)C1	ZINC000833375214	604832324	/nfs/dbraw/zinc/83/23/24/604832324.db2.gz	JTBWKULFYMWHGM-NEPJUHHUSA-N	-1	0	315.391	0.809	20	30		DCEDRM
N#Cc1ccc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)c(F)c1	ZINC000831126467	604839964	/nfs/dbraw/zinc/83/99/64/604839964.db2.gz	GMXCGLHXDSEUKL-GFCCVEGCSA-N	-1	0	307.281	0.692	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833465159	604977305	/nfs/dbraw/zinc/97/73/05/604977305.db2.gz	HPJKHXGSEYOXNE-DZGCQCFKSA-N	-1	0	311.382	0.198	20	30		DCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC	ZINC000833364787	605027710	/nfs/dbraw/zinc/02/77/10/605027710.db2.gz	FDPXTYBNKPCJAW-UHFFFAOYSA-N	-1	0	317.344	0.535	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833370168	605061040	/nfs/dbraw/zinc/06/10/40/605061040.db2.gz	IXDUCJLXTDZEQA-SECBINFHSA-N	-1	0	300.336	0.243	20	30		DCEDRM
C#CCOc1cccc(OC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000823466553	605075014	/nfs/dbraw/zinc/07/50/14/605075014.db2.gz	DLASLJSMJCLDIL-ZDUSSCGKSA-N	-1	0	305.286	0.983	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000393785183	605211545	/nfs/dbraw/zinc/21/15/45/605211545.db2.gz	KUHHDMNZOJVYJL-UHFFFAOYSA-N	-1	0	312.347	0.274	20	30		DCEDRM
N#Cc1ccccc1CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O	ZINC000831152897	605348083	/nfs/dbraw/zinc/34/80/83/605348083.db2.gz	REMKXYUHUFFTQF-OAHLLOKOSA-N	-1	0	314.301	0.733	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)c(F)c1	ZINC000831131821	605356405	/nfs/dbraw/zinc/35/64/05/605356405.db2.gz	BNHFGSRVOSAIES-UHFFFAOYSA-N	-1	0	320.280	0.458	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)CC[C@@H]2CCN(C(=O)[O-])C2)CCN1C1CC1	ZINC000833965632	605467068	/nfs/dbraw/zinc/46/70/68/605467068.db2.gz	CIGXNKXTUVFLRW-TZMCWYRMSA-N	-1	0	320.393	0.965	20	30		DCEDRM
Cc1onc(CC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1C#N	ZINC000833936186	605697882	/nfs/dbraw/zinc/69/78/82/605697882.db2.gz	LJKFDLAKALJPRS-LDYMZIIASA-N	-1	0	306.322	0.902	20	30		DCEDRM
Cc1onc(CC(=O)N2C[C@H](C)N(C(=O)[O-])C[C@H]2C)c1C#N	ZINC000833936189	605700110	/nfs/dbraw/zinc/70/01/10/605700110.db2.gz	LOMGFTZOZVIFFP-BDAKNGLRSA-N	-1	0	306.322	0.996	20	30		DCEDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000736418902	605716259	/nfs/dbraw/zinc/71/62/59/605716259.db2.gz	CPDYVDPMXWOSCK-OLZOCXBDSA-N	-1	0	308.382	0.867	20	30		DCEDRM
N#Cc1ccc(C(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000833975371	605722718	/nfs/dbraw/zinc/72/27/18/605722718.db2.gz	WVTBTFFYVGYOTI-RYUDHWBXSA-N	-1	0	318.285	0.397	20	30		DCEDRM
CC[C@@](C)(CNC(=O)[O-])C(=O)OCCn1ncc(C#N)c1N	ZINC000833842150	605739510	/nfs/dbraw/zinc/73/95/10/605739510.db2.gz	XQFYDOUCBRFCNJ-ZDUSSCGKSA-N	-1	0	309.326	0.564	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)cc1	ZINC000833973730	605835859	/nfs/dbraw/zinc/83/58/59/605835859.db2.gz	QPWXAUBSAIDGIP-YPMHNXCESA-N	-1	0	303.318	0.708	20	30		DCEDRM
N#Cc1cccc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1F	ZINC000833978194	605954970	/nfs/dbraw/zinc/95/49/70/605954970.db2.gz	FIVVYOOUTVYFFC-MNOVXSKESA-N	-1	0	308.265	0.854	20	30		DCEDRM
C[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1cccnc1	ZINC000819877098	606052152	/nfs/dbraw/zinc/05/21/52/606052152.db2.gz	OJSQAIBKEQQPGQ-SSDOTTSWSA-N	-1	0	309.293	0.599	20	30		DCEDRM
N#CC1(NC(=O)CCOC2CN(C(=O)[O-])C2)CCSCC1	ZINC000833963579	606099765	/nfs/dbraw/zinc/09/97/65/606099765.db2.gz	ORFFPKFJWSAERY-UHFFFAOYSA-N	-1	0	313.379	0.661	20	30		DCEDRM
N#Cc1nc(NC(=O)Cc2ccc(O)cc2)[n-]c1-c1nn[nH]n1	ZINC000822814259	607142931	/nfs/dbraw/zinc/14/29/31/607142931.db2.gz	DIOWXWIFRKFMLP-UHFFFAOYSA-N	-1	0	310.277	0.348	20	30		DCEDRM
C=C[C@](C)(O)C(=O)NC[C@H](Cc1ccccc1OC)C(=O)[O-]	ZINC000909381874	660453383	/nfs/dbraw/zinc/45/33/83/660453383.db2.gz	ASHRXGJWCKQVSR-LRDDRELGSA-N	-1	0	307.346	0.992	20	30		DCEDRM
C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC000939102047	665489267	/nfs/dbraw/zinc/48/92/67/665489267.db2.gz	CVLNLOSYUJWWEF-GHMZBOCLSA-N	-1	0	305.382	0.803	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2)n1	ZINC000181286773	665522018	/nfs/dbraw/zinc/52/20/18/665522018.db2.gz	YJGQSFQPQLKWRL-UHFFFAOYSA-N	-1	0	319.346	0.631	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)c1[O-]	ZINC001022565127	658091112	/nfs/dbraw/zinc/09/11/12/658091112.db2.gz	STMWCTSVWKHIIX-INTQDDNPSA-N	-1	0	317.349	0.256	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2O)C1	ZINC000939394948	665569906	/nfs/dbraw/zinc/56/99/06/665569906.db2.gz	AZKTXSCAFDKOEN-WDEREUQCSA-N	-1	0	302.334	0.620	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCSC2	ZINC000892491912	658721959	/nfs/dbraw/zinc/72/19/59/658721959.db2.gz	PFTIZZHKKCOFMS-VIFPVBQESA-N	-1	0	322.390	0.294	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cnc(Cl)n1C)C(=O)[O-]	ZINC000776589675	659479738	/nfs/dbraw/zinc/47/97/38/659479738.db2.gz	WABCASUUFDIFCA-ZETCQYMHSA-N	-1	0	305.743	0.218	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1sc(N(C)C)nc1C	ZINC000893058901	659711872	/nfs/dbraw/zinc/71/18/72/659711872.db2.gz	GZYYIRSTHAORLH-UHFFFAOYSA-N	-1	0	319.408	0.525	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)CC[C@@H]1CCCO1	ZINC000893714567	661368453	/nfs/dbraw/zinc/36/84/53/661368453.db2.gz	YLUBDVDSRCMOSR-NEPJUHHUSA-N	-1	0	305.396	0.983	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc([S@@](C)=O)cc1	ZINC000788203280	661649879	/nfs/dbraw/zinc/64/98/79/661649879.db2.gz	PFUVMLRMVMXLCB-GOSISDBHSA-N	-1	0	301.389	0.599	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001028810046	661834929	/nfs/dbraw/zinc/83/49/29/661834929.db2.gz	VABWOBZKTRLKTP-TUAOUCFPSA-N	-1	0	321.381	0.040	20	30		DCEDRM
C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)CO)cc2[n-]c1=S	ZINC000129218854	662063569	/nfs/dbraw/zinc/06/35/69/662063569.db2.gz	DJBFDYZORPWPLP-SECBINFHSA-N	-1	0	319.386	0.982	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc2c(ncnc2N(C)C)n1C	ZINC000909516974	662171465	/nfs/dbraw/zinc/17/14/65/662171465.db2.gz	VSMCPLYGERYLDK-UHFFFAOYSA-N	-1	0	317.349	0.747	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C)c1[O-]	ZINC000987603596	662690523	/nfs/dbraw/zinc/69/05/23/662690523.db2.gz	RAQLHMHMTJFGFS-SFGNSQDASA-N	-1	0	305.338	0.303	20	30		DCEDRM
CC1(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CC=CC1	ZINC000899550925	663152355	/nfs/dbraw/zinc/15/23/55/663152355.db2.gz	ILJQPFVJHRWZLT-UHFFFAOYSA-N	-1	0	300.318	0.560	20	30		DCEDRM
Cc1ccncc1S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899925450	663201222	/nfs/dbraw/zinc/20/12/22/663201222.db2.gz	DHIGNVZVOAWYEJ-GFCCVEGCSA-N	-1	0	308.359	0.879	20	30		DCEDRM
C=CC[C@@H]1CCN1C(=O)CNS(=O)(=O)c1c(C)noc1C	ZINC000900844170	663286966	/nfs/dbraw/zinc/28/69/66/663286966.db2.gz	OXKDKNVQLJLPMJ-LLVKDONJSA-N	-1	0	313.379	0.747	20	30		DCEDRM
COCCOCCS(=O)(=O)[N-][C@H](CC#N)C(F)(F)F	ZINC000901774200	663366965	/nfs/dbraw/zinc/36/69/65/663366965.db2.gz	ZYDRFNUDCHEODU-MRVPVSSYSA-N	-1	0	304.290	0.413	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)[C@H](C(=O)[O-])C3CC3)CC2)cn1	ZINC000902628100	663423346	/nfs/dbraw/zinc/42/33/46/663423346.db2.gz	OJMNVESZGJWBJB-CQSZACIVSA-N	-1	0	314.345	0.713	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	ZINC000903058079	663445947	/nfs/dbraw/zinc/44/59/47/663445947.db2.gz	DCALNGLRJRMCPC-LLVKDONJSA-N	-1	0	320.411	0.741	20	30		DCEDRM
C=CCOCCCNC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000905546744	663562733	/nfs/dbraw/zinc/56/27/33/663562733.db2.gz	WGHPPQKUGHCSGA-RYUDHWBXSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCn1cc(CNS(=O)(=O)c2cccnc2OC)nn1	ZINC000907252899	663681161	/nfs/dbraw/zinc/68/11/61/663681161.db2.gz	KVHFTQBTBLADQX-UHFFFAOYSA-N	-1	0	309.351	0.346	20	30		DCEDRM
C#CCSCCNC(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC000909051839	663779926	/nfs/dbraw/zinc/77/99/26/663779926.db2.gz	GPDDIHWCCJIRKH-LLVKDONJSA-N	-1	0	302.396	0.872	20	30		DCEDRM
C=CCCOCCNC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000909118108	663781640	/nfs/dbraw/zinc/78/16/40/663781640.db2.gz	WYJWKXKNRQKROI-RYUDHWBXSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C=CCCOCCNC(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000909116168	663781672	/nfs/dbraw/zinc/78/16/72/663781672.db2.gz	AJMBTQKWIPYUSL-LBPRGKRZSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](O)CCc1ccccc1)C(=O)[O-]	ZINC000909771573	663800354	/nfs/dbraw/zinc/80/03/54/663800354.db2.gz	RFIIUWADZUOOSY-UONOGXRCSA-N	-1	0	307.346	0.752	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(OCCCOC)nc1)C(=O)[O-]	ZINC000910051801	663836903	/nfs/dbraw/zinc/83/69/03/663836903.db2.gz	HSHLFDKMUKGAPA-GFCCVEGCSA-N	-1	0	306.318	0.703	20	30		DCEDRM
C#CC[C@H](NC(=O)CN1C(=O)COc2ccccc21)C(=O)[O-]	ZINC000910052039	663836912	/nfs/dbraw/zinc/83/69/12/663836912.db2.gz	LWLXVXOYLBVIAO-JTQLQIEISA-N	-1	0	302.286	0.005	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1cccc(OCCOC)c1)C(=O)[O-]	ZINC000910048304	663840299	/nfs/dbraw/zinc/84/02/99/663840299.db2.gz	IKHGJGLMMKMKEZ-AWEZNQCLSA-N	-1	0	305.330	0.847	20	30		DCEDRM
C#CC[C@@H](NC(=O)C1([C@@H]2CCCCO2)CCOCC1)C(=O)[O-]	ZINC000910048939	663840383	/nfs/dbraw/zinc/84/03/83/663840383.db2.gz	PMENCVATJYKNNQ-OLZOCXBDSA-N	-1	0	309.362	0.945	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](Oc1ccccc1)C(C)(C)O)C(=O)[O-]	ZINC000910049271	663840529	/nfs/dbraw/zinc/84/05/29/663840529.db2.gz	UXAHPTIIHDHTBP-QWHCGFSZSA-N	-1	0	305.330	0.798	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1ccccc1O[C@@H]1CCOC1)C(=O)[O-]	ZINC000910050001	663840830	/nfs/dbraw/zinc/84/08/30/663840830.db2.gz	BOFHXWARTDZBEJ-ZIAGYGMSSA-N	-1	0	317.341	0.990	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000910098071	663844797	/nfs/dbraw/zinc/84/47/97/663844797.db2.gz	HMUGVXKWLCTBQP-NHYWBVRUSA-N	-1	0	322.365	0.979	20	30		DCEDRM
C=C[C@](C)(O)C(=O)N1CCN(c2ccc(C(=O)[O-])cn2)CC1	ZINC000911168240	664000270	/nfs/dbraw/zinc/00/02/70/664000270.db2.gz	NGNCLJYWXFHURQ-HNNXBMFYSA-N	-1	0	305.334	0.365	20	30		DCEDRM
C#CCCN1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1	ZINC000911251640	664010975	/nfs/dbraw/zinc/01/09/75/664010975.db2.gz	DQQCAJQHOSVARN-UHFFFAOYSA-N	-1	0	316.357	0.931	20	30		DCEDRM
C=C[C@@](C)(O)C(=O)N1CCCN(c2ccc(C(=O)[O-])cn2)CC1	ZINC000911308336	664024945	/nfs/dbraw/zinc/02/49/45/664024945.db2.gz	MWWZAWALQCZIFZ-MRXNPFEDSA-N	-1	0	319.361	0.756	20	30		DCEDRM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ncccc1C#N	ZINC000912560797	664185842	/nfs/dbraw/zinc/18/58/42/664185842.db2.gz	WWWHTVOPCRAFGX-UHFFFAOYSA-N	-1	0	307.291	0.264	20	30		DCEDRM
C#CCOCCC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1	ZINC000913559672	664640832	/nfs/dbraw/zinc/64/08/32/664640832.db2.gz	NKTQUTGDZRSMOG-CYBMUJFWSA-N	-1	0	314.345	0.950	20	30		DCEDRM
C=CCc1cc(C(=O)NCc2nnn[n-]2)cc(OC)c1OC	ZINC000731873372	664887998	/nfs/dbraw/zinc/88/79/98/664887998.db2.gz	QLQBYRASHFHACC-UHFFFAOYSA-N	-1	0	303.322	0.875	20	30		DCEDRM
COCCS(=O)(=O)[N-]C(=O)Cc1ccc(OCC#N)cc1	ZINC000732523267	664943187	/nfs/dbraw/zinc/94/31/87/664943187.db2.gz	VRTUUHPFIQQBFC-UHFFFAOYSA-N	-1	0	312.347	0.224	20	30		DCEDRM
C=CC[N@H+]1CCC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H]1C	ZINC000993941307	665021158	/nfs/dbraw/zinc/02/11/58/665021158.db2.gz	AHVHACLQLVKNHY-WCQYABFASA-N	-1	0	315.377	0.791	20	30		DCEDRM
Cc1cc(OCC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)no1	ZINC000916774621	665093270	/nfs/dbraw/zinc/09/32/70/665093270.db2.gz	WZYDSFGCUIMIAO-UHFFFAOYSA-N	-1	0	321.314	0.739	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn(-c2ccccc2)nn1	ZINC000916891395	665099351	/nfs/dbraw/zinc/09/93/51/665099351.db2.gz	VWEPBATYTOAZEM-LBPRGKRZSA-N	-1	0	313.317	0.352	20	30		DCEDRM
COC(=O)COc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC000918487117	665171990	/nfs/dbraw/zinc/17/19/90/665171990.db2.gz	PVQHIIUDFFOWKK-CYBMUJFWSA-N	-1	0	316.313	0.839	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001032557674	665350443	/nfs/dbraw/zinc/35/04/43/665350443.db2.gz	OUDUKFHUVYJLCK-QWRGUYRKSA-N	-1	0	305.382	0.898	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001033399938	666707120	/nfs/dbraw/zinc/70/71/20/666707120.db2.gz	RCNHHLLYCBMGQB-NSHDSACASA-N	-1	0	305.382	0.899	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001033399937	666707177	/nfs/dbraw/zinc/70/71/77/666707177.db2.gz	RCNHHLLYCBMGQB-LLVKDONJSA-N	-1	0	305.382	0.899	20	30		DCEDRM
CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CCC1	ZINC000733680361	666793417	/nfs/dbraw/zinc/79/34/17/666793417.db2.gz	NDQPSIXYTNZREG-UHFFFAOYSA-N	-1	0	321.358	0.279	20	30		DCEDRM
N#Cc1ccc(CCC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc1	ZINC000733723169	666808307	/nfs/dbraw/zinc/80/83/07/666808307.db2.gz	KRUATCHBFJXNGO-ZDUSSCGKSA-N	-1	0	308.359	0.726	20	30		DCEDRM
COc1ncc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cn1	ZINC000734078948	666844028	/nfs/dbraw/zinc/84/40/28/666844028.db2.gz	GRCBNGSFOSUARN-GFCCVEGCSA-N	-1	0	320.349	0.739	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)CCC)C1	ZINC000788067590	666940562	/nfs/dbraw/zinc/94/05/62/666940562.db2.gz	HHQNVMRIJDTMOM-GFCCVEGCSA-N	-1	0	314.407	0.494	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)CCC)C1	ZINC000788071953	667019575	/nfs/dbraw/zinc/01/95/75/667019575.db2.gz	RAULXTURVCGWQL-LBPRGKRZSA-N	-1	0	314.407	0.494	20	30		DCEDRM
C#CC[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC000862576718	667049068	/nfs/dbraw/zinc/04/90/68/667049068.db2.gz	BRBXSPMWRRBJLB-JTQLQIEISA-N	-1	0	308.359	0.525	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-]	ZINC000863420357	667141596	/nfs/dbraw/zinc/14/15/96/667141596.db2.gz	MDAVPTWXEWWMPB-SECBINFHSA-N	-1	0	320.754	0.964	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1c(C)onc1N)C(=O)[O-]	ZINC000863420775	667142458	/nfs/dbraw/zinc/14/24/58/667142458.db2.gz	RJEZBAYBOWLMIV-LURJTMIESA-N	-1	0	309.731	0.439	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000863796390	667183636	/nfs/dbraw/zinc/18/36/36/667183636.db2.gz	KDISIQOGNWFLFL-VIFPVBQESA-N	-1	0	302.290	0.204	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN(C(=O)[C@]2(C#N)CCCOC2)C1	ZINC000923084346	667460764	/nfs/dbraw/zinc/46/07/64/667460764.db2.gz	YHUIJYQHUGQNIA-GJZGRUSLSA-N	-1	0	310.350	0.647	20	30		DCEDRM
C#CCCS(=O)(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000867890034	667514633	/nfs/dbraw/zinc/51/46/33/667514633.db2.gz	JHIMGBHWRDQFPR-SNVBAGLBSA-N	-1	0	312.313	0.482	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@]12CCC[C@H]1OCC2	ZINC000870271459	667726798	/nfs/dbraw/zinc/72/67/98/667726798.db2.gz	WLOVXDLJNHNVPN-MFKMUULPSA-N	-1	0	300.380	0.941	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)[C@@H](C)O1	ZINC000870297666	667728651	/nfs/dbraw/zinc/72/86/51/667728651.db2.gz	RWCXAOYUDAMRPG-MXWKQRLJSA-N	-1	0	300.380	0.940	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/COC1CCOCC1	ZINC000870332358	667731587	/nfs/dbraw/zinc/73/15/87/667731587.db2.gz	UDLHERLOCFZCOM-SNAWJCMRSA-N	-1	0	301.364	0.208	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)CN2CCN(C3CC3)C2=O)c1	ZINC000870691873	667752144	/nfs/dbraw/zinc/75/21/44/667752144.db2.gz	WFYYLLNRIMEKKK-UHFFFAOYSA-N	-1	0	300.318	0.868	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1	ZINC000870831734	667765039	/nfs/dbraw/zinc/76/50/39/667765039.db2.gz	CPKXYEIJSRAPQK-LBPRGKRZSA-N	-1	0	321.354	0.933	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cn3nccc3nc2C)CC1	ZINC000870837123	667765334	/nfs/dbraw/zinc/76/53/34/667765334.db2.gz	BFLJDMWJCJBXRW-UHFFFAOYSA-N	-1	0	306.347	0.816	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000871973464	667861256	/nfs/dbraw/zinc/86/12/56/667861256.db2.gz	XNDMZYUEAIQFMS-NSHDSACASA-N	-1	0	309.343	0.716	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)CCN2CCCS2(=O)=O)c1	ZINC000748411067	667926893	/nfs/dbraw/zinc/92/68/93/667926893.db2.gz	WBARVAJLRKYPSH-UHFFFAOYSA-N	-1	0	309.347	0.628	20	30		DCEDRM
Cn1nnnc1SCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748411730	667927020	/nfs/dbraw/zinc/92/70/20/667927020.db2.gz	XRNIPJTWOFUJSW-UHFFFAOYSA-N	-1	0	304.335	0.908	20	30		DCEDRM
Cn1nccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000750384962	667977704	/nfs/dbraw/zinc/97/77/04/667977704.db2.gz	NVTHHBKVQLJDTD-UHFFFAOYSA-N	-1	0	304.331	0.552	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1cnn(C)c1	ZINC000750681739	667984925	/nfs/dbraw/zinc/98/49/25/667984925.db2.gz	OJRFNNGVESIDKO-JTQLQIEISA-N	-1	0	318.358	0.900	20	30		DCEDRM
Cn1ncc2c1ncn(N=Cc1cc([O-])ccc1[N+](=O)[O-])c2=O	ZINC000751130197	667996582	/nfs/dbraw/zinc/99/65/82/667996582.db2.gz	FQXFCWGDHJERPL-UHFFFAOYSA-N	-1	0	314.261	0.626	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)n1nnnc1C(C)(C)C	ZINC000755759573	668065836	/nfs/dbraw/zinc/06/58/36/668065836.db2.gz	OEMHNPWXHYQOCC-MRVPVSSYSA-N	-1	0	301.372	0.164	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000756559747	668092961	/nfs/dbraw/zinc/09/29/61/668092961.db2.gz	YXENGZXVNMDXHE-UHFFFAOYSA-N	-1	0	306.343	0.712	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]N=c2nccc[nH]2)c(F)c1	ZINC000757647460	668144579	/nfs/dbraw/zinc/14/45/79/668144579.db2.gz	QRLBMPPWCYFAFF-UHFFFAOYSA-N	-1	0	311.273	0.932	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)NCCC(=O)[O-])CC2)cc1	ZINC000874403696	668181058	/nfs/dbraw/zinc/18/10/58/668181058.db2.gz	PETPYSRORWBVFO-UHFFFAOYSA-N	-1	0	302.334	0.865	20	30		DCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2cn(-c3ccccc3)nn2)nn1	ZINC000759085718	668205729	/nfs/dbraw/zinc/20/57/29/668205729.db2.gz	XHDVZHMVHDPYCV-SREVYHEPSA-N	-1	0	324.300	0.840	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cn1	ZINC000759611236	668228555	/nfs/dbraw/zinc/22/85/55/668228555.db2.gz	CJCXWTUPLNMHKZ-UHFFFAOYSA-N	-1	0	324.358	0.867	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1cnc2c(C)cccc2c1=O	ZINC000762048384	668344732	/nfs/dbraw/zinc/34/47/32/668344732.db2.gz	NDBRIKDPEXQMOM-UHFFFAOYSA-N	-1	0	315.329	0.804	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccnn1CC1CCC1	ZINC000926472542	668409203	/nfs/dbraw/zinc/40/92/03/668409203.db2.gz	CZEWNQYYTQOSCQ-UHFFFAOYSA-N	-1	0	313.379	0.945	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@]23CCOC3)cc1	ZINC000764754209	668460994	/nfs/dbraw/zinc/46/09/94/668460994.db2.gz	TTZUCOIPEQQJOO-OCCSQVGLSA-N	-1	0	306.343	0.790	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]12CCOC2	ZINC000764754259	668461155	/nfs/dbraw/zinc/46/11/55/668461155.db2.gz	UZDUZMCOTJXAHX-DZGCQCFKSA-N	-1	0	320.370	0.931	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@]12CCOC2	ZINC000764754262	668461199	/nfs/dbraw/zinc/46/11/99/668461199.db2.gz	UZDUZMCOTJXAHX-ZFWWWQNUSA-N	-1	0	320.370	0.931	20	30		DCEDRM
C[C@H]1CCCC[C@H]1NC(=S)NN=Cc1cn(CC(=O)[O-])nn1	ZINC000768477637	668611229	/nfs/dbraw/zinc/61/12/29/668611229.db2.gz	WYAJNDRAAHORJC-GXSJLCMTSA-N	-1	0	324.410	0.739	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CC[C@@H](C2CC2)O1)C(=O)[O-]	ZINC000929024066	668646089	/nfs/dbraw/zinc/64/60/89/668646089.db2.gz	IQVYYKDVQASTCE-AVGNSLFASA-N	-1	0	312.366	0.899	20	30		DCEDRM
COc1nc(C(=O)O[C@H](C)C(=O)N(C)CCC#N)cc(=O)[n-]1	ZINC000770519858	668698619	/nfs/dbraw/zinc/69/86/19/668698619.db2.gz	UCOQEFDJOAWQNT-MRVPVSSYSA-N	-1	0	308.294	0.108	20	30		DCEDRM
O=C([O-])C(F)(F)Oc1ccc(C=NN2C(=O)CNC2=O)cc1	ZINC000770616455	668702508	/nfs/dbraw/zinc/70/25/08/668702508.db2.gz	PAVFHVCSEGZGGW-UHFFFAOYSA-N	-1	0	313.216	0.629	20	30		DCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C=NOC)cc1	ZINC000770617104	668702605	/nfs/dbraw/zinc/70/26/05/668702605.db2.gz	BEBDCCHWMDTHNE-UHFFFAOYSA-N	-1	0	313.379	0.983	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)CCC1	ZINC000771075157	668730100	/nfs/dbraw/zinc/73/01/00/668730100.db2.gz	GXANOBVIHIYWIG-LLVKDONJSA-N	-1	0	316.379	0.322	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CSCC(=O)OC(C)(C)C	ZINC000772717125	668782336	/nfs/dbraw/zinc/78/23/36/668782336.db2.gz	DAPPNXXNRJKGSP-UHFFFAOYSA-N	-1	0	309.409	0.693	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)COc1ccccc1[N+](=O)[O-]	ZINC000772720595	668782672	/nfs/dbraw/zinc/78/26/72/668782672.db2.gz	PCUZEQBMXAEIMU-UHFFFAOYSA-N	-1	0	300.292	0.606	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1coc(COC)n1	ZINC000773966025	668818421	/nfs/dbraw/zinc/81/84/21/668818421.db2.gz	CXJRFVGOYKCRHF-SNVBAGLBSA-N	-1	0	309.322	0.686	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)cc1F	ZINC000773974618	668818622	/nfs/dbraw/zinc/81/86/22/668818622.db2.gz	IDDLGAISUCUZAX-LLVKDONJSA-N	-1	0	322.292	0.697	20	30		DCEDRM
COCc1nc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)co1	ZINC000774293593	668829367	/nfs/dbraw/zinc/82/93/67/668829367.db2.gz	STOJFSRMHOQEJH-UHFFFAOYSA-N	-1	0	301.324	0.430	20	30		DCEDRM
CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776117639	668871165	/nfs/dbraw/zinc/87/11/65/668871165.db2.gz	UVGSREMSCYOEPN-LLVKDONJSA-N	-1	0	315.395	0.527	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000776119311	668871286	/nfs/dbraw/zinc/87/12/86/668871286.db2.gz	KKXXZFQVCUTUIR-UHFFFAOYSA-N	-1	0	309.303	0.897	20	30		DCEDRM
C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776136927	668871621	/nfs/dbraw/zinc/87/16/21/668871621.db2.gz	PLWYEYISPVPIFN-WDEREUQCSA-N	-1	0	318.395	0.566	20	30		DCEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNC2CCS(=O)(=O)CC2)c1	ZINC000776791964	668881431	/nfs/dbraw/zinc/88/14/31/668881431.db2.gz	GLMGPKRJQPKYHV-UHFFFAOYSA-N	-1	0	313.335	0.801	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(C)=O)c(C)nc1C	ZINC000777295463	668886242	/nfs/dbraw/zinc/88/62/42/668886242.db2.gz	GHASOAKWUWKKHD-AWEZNQCLSA-N	-1	0	317.345	0.986	20	30		DCEDRM
C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000779543856	668912819	/nfs/dbraw/zinc/91/28/19/668912819.db2.gz	YPGJNUOFSKHOII-ISVAXAHUSA-N	-1	0	303.318	0.478	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N(CCOC)CC(=O)[O-]	ZINC000780576631	668996867	/nfs/dbraw/zinc/99/68/67/668996867.db2.gz	YYEGQUDALOELKO-UHFFFAOYSA-N	-1	0	320.345	0.941	20	30		DCEDRM
N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)c1	ZINC000780609613	668999494	/nfs/dbraw/zinc/99/94/94/668999494.db2.gz	IGAQGSQQAWKDMK-ZDUSSCGKSA-N	-1	0	324.358	0.562	20	30		DCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)CCOC1	ZINC000781596948	669051580	/nfs/dbraw/zinc/05/15/80/669051580.db2.gz	BSUXCIQWUQHTHV-ZDUSSCGKSA-N	-1	0	312.322	0.929	20	30		DCEDRM
N#Cc1ccc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)nc1	ZINC000782028980	669076594	/nfs/dbraw/zinc/07/65/94/669076594.db2.gz	NTJABSDXYMUGMW-UHFFFAOYSA-N	-1	0	322.284	0.633	20	30		DCEDRM
COC(=O)c1c(F)ccc(S(=O)(=O)NCCC#N)c1F	ZINC000785282186	669243601	/nfs/dbraw/zinc/24/36/01/669243601.db2.gz	KKUVLABQXDRPFM-UHFFFAOYSA-N	-1	0	304.274	0.943	20	30		DCEDRM
N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1O	ZINC000785409632	669254297	/nfs/dbraw/zinc/25/42/97/669254297.db2.gz	GBPWUVACQJCFNJ-ZIAGYGMSSA-N	-1	0	301.346	0.857	20	30		DCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000786765848	669328562	/nfs/dbraw/zinc/32/85/62/669328562.db2.gz	UDQDGLZCJORIDE-IUCAKERBSA-N	-1	0	324.299	0.923	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cc1	ZINC000788342230	669431908	/nfs/dbraw/zinc/43/19/08/669431908.db2.gz	FPCMEVPNBAICSF-GFCCVEGCSA-N	-1	0	318.329	0.721	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)[N-]OCCOC	ZINC000789823662	669512239	/nfs/dbraw/zinc/51/22/39/669512239.db2.gz	TXFBTQROMCGLFR-UHFFFAOYSA-N	-1	0	310.281	0.470	20	30		DCEDRM
COCCO[N-]C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000789828523	669512776	/nfs/dbraw/zinc/51/27/76/669512776.db2.gz	ZZEKMLUJZYSAEZ-UHFFFAOYSA-N	-1	0	308.338	0.747	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1	ZINC000791111770	669594379	/nfs/dbraw/zinc/59/43/79/669594379.db2.gz	YSRCSDOTDAUERH-GFCCVEGCSA-N	-1	0	312.391	0.104	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(OCC(F)F)nc1	ZINC000810781816	669677215	/nfs/dbraw/zinc/67/72/15/669677215.db2.gz	VIXYIILVXAVTMF-UHFFFAOYSA-N	-1	0	318.301	0.808	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2COc3ccccc32)CC1	ZINC000793204485	669707545	/nfs/dbraw/zinc/70/75/45/669707545.db2.gz	QXAMZFOOZPVDEU-NSHDSACASA-N	-1	0	306.343	0.912	20	30		DCEDRM
Cn1ncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1C1CC1	ZINC000793212514	669708097	/nfs/dbraw/zinc/70/80/97/669708097.db2.gz	PBQSNPHDKJEFQV-UHFFFAOYSA-N	-1	0	308.363	0.661	20	30		DCEDRM
C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793212749	669708104	/nfs/dbraw/zinc/70/81/04/669708104.db2.gz	UPAUMFCLVWEBQW-GHMZBOCLSA-N	-1	0	316.379	0.320	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N)C1CC1	ZINC000796608376	669937438	/nfs/dbraw/zinc/93/74/38/669937438.db2.gz	JNQSNUICUIWKLL-CYBMUJFWSA-N	-1	0	308.359	0.929	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCCCO2	ZINC000798203006	669991897	/nfs/dbraw/zinc/99/18/97/669991897.db2.gz	QGNBUKVBKZHWEV-UHFFFAOYSA-N	-1	0	309.343	0.931	20	30		DCEDRM
COC(=O)c1c(F)cccc1N=NCc1cn(CC(=O)[O-])nn1	ZINC000800816713	670101586	/nfs/dbraw/zinc/10/15/86/670101586.db2.gz	BVNIARXUGXUHIR-UHFFFAOYSA-N	-1	0	321.268	0.734	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)C2=CCOCC2)cc1	ZINC000802030493	670148561	/nfs/dbraw/zinc/14/85/61/670148561.db2.gz	HEASFNHIYMNZKZ-UHFFFAOYSA-N	-1	0	306.343	0.851	20	30		DCEDRM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cnnn2C)c1	ZINC000808564314	670415643	/nfs/dbraw/zinc/41/56/43/670415643.db2.gz	NMZHZVAETABSHB-UHFFFAOYSA-N	-1	0	321.362	0.532	20	30		DCEDRM
COc1ccc(CNC(=O)C(C#N)=C([O-])c2ncn(C)n2)cc1	ZINC000810535687	670488662	/nfs/dbraw/zinc/48/86/62/670488662.db2.gz	GPBLGHUAZHHXMS-GFCCVEGCSA-N	-1	0	313.317	0.463	20	30		DCEDRM
Cn1cnc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)n1	ZINC000810708839	670494468	/nfs/dbraw/zinc/49/44/68/670494468.db2.gz	ZVWDDJHXXZYMGE-JTQLQIEISA-N	-1	0	319.271	0.732	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCNC(=O)C1CCCCC1	ZINC000810774105	670496975	/nfs/dbraw/zinc/49/69/75/670496975.db2.gz	CQAZYHUQWHRBMD-UHFFFAOYSA-N	-1	0	314.407	0.542	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(O[C@@H]2CCOC2)cc1	ZINC000810776163	670497189	/nfs/dbraw/zinc/49/71/89/670497189.db2.gz	IROHUPIGSOYRQU-CQSZACIVSA-N	-1	0	323.370	0.937	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1C#N	ZINC000810780460	670497580	/nfs/dbraw/zinc/49/75/80/670497580.db2.gz	DHKGXYIADYFFPA-NSHDSACASA-N	-1	0	306.343	0.795	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1	ZINC000810778299	670497601	/nfs/dbraw/zinc/49/76/01/670497601.db2.gz	ZXUFDBPYXIJZRX-UHFFFAOYSA-N	-1	0	322.386	0.205	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)n(C)c2c1	ZINC000810781296	670497811	/nfs/dbraw/zinc/49/78/11/670497811.db2.gz	NGDDVMUGSFMLLZ-UHFFFAOYSA-N	-1	0	307.331	0.362	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cn1c(C)nc2ccccc21	ZINC000810780677	670497736	/nfs/dbraw/zinc/49/77/36/670497736.db2.gz	MIDCXURHHVXXCF-UHFFFAOYSA-N	-1	0	305.359	0.814	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H](C)NC(=O)c1ccccc1	ZINC000810784051	670498006	/nfs/dbraw/zinc/49/80/06/670498006.db2.gz	PVZICLLVIFRAOE-LBPRGKRZSA-N	-1	0	322.386	0.664	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(CC(=O)OC)c1	ZINC000810783249	670498050	/nfs/dbraw/zinc/49/80/50/670498050.db2.gz	KFFFNWKNMPKXCS-UHFFFAOYSA-N	-1	0	309.343	0.485	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1	ZINC000810984716	670502453	/nfs/dbraw/zinc/50/24/53/670502453.db2.gz	KVUZGKNQNLRCSF-SNVBAGLBSA-N	-1	0	312.391	0.552	20	30		DCEDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000811143753	670510146	/nfs/dbraw/zinc/51/01/46/670510146.db2.gz	CNQDBEYLCKXBFT-UHFFFAOYSA-N	-1	0	324.358	0.817	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C(F)(F)F)nn1C	ZINC000853974124	670510584	/nfs/dbraw/zinc/51/05/84/670510584.db2.gz	RCQAOFOHNRRDNU-LURJTMIESA-N	-1	0	306.244	1.000	20	30		DCEDRM
COCC1(S(=O)(=O)[N-]C(=O)COc2ccccc2C#N)CC1	ZINC000811154848	670511108	/nfs/dbraw/zinc/51/11/08/670511108.db2.gz	VINDMINXBAQMRJ-UHFFFAOYSA-N	-1	0	324.358	0.562	20	30		DCEDRM
COCC1(S(=O)(=O)[N-]C(=O)c2ccc(C#N)s2)CC1	ZINC000811159502	670512811	/nfs/dbraw/zinc/51/28/11/670512811.db2.gz	MMOUQFUNTSKKCV-UHFFFAOYSA-N	-1	0	300.361	0.858	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc3c(n2)OCCO3)CC1	ZINC000847679444	670590161	/nfs/dbraw/zinc/59/01/61/670590161.db2.gz	PEFXMBXSVMPIHC-UHFFFAOYSA-N	-1	0	323.330	0.216	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1	ZINC000812781928	670595747	/nfs/dbraw/zinc/59/57/47/670595747.db2.gz	IXAFRIVKACBLAU-CQSZACIVSA-N	-1	0	302.330	0.981	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](CSC)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000812786137	670596024	/nfs/dbraw/zinc/59/60/24/670596024.db2.gz	ALWSVWPPVVQQEN-TUAOUCFPSA-N	-1	0	324.402	0.574	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NCC(=O)[N-]OC2CCC2)c1	ZINC000812791696	670596734	/nfs/dbraw/zinc/59/67/34/670596734.db2.gz	TWRLQOWAXQHKBX-UHFFFAOYSA-N	-1	0	309.347	0.437	20	30		DCEDRM
CCc1ocnc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981846	670667370	/nfs/dbraw/zinc/66/73/70/670667370.db2.gz	ZGOGHTSELCEGDN-UHFFFAOYSA-N	-1	0	306.303	0.622	20	30		DCEDRM
CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)O1	ZINC000813980648	670667640	/nfs/dbraw/zinc/66/76/40/670667640.db2.gz	FLRFDOZHWHMTRV-CMPLNLGQSA-N	-1	0	309.347	0.716	20	30		DCEDRM
Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)cn1	ZINC000813983514	670668251	/nfs/dbraw/zinc/66/82/51/670668251.db2.gz	BCISKPQHUZXICU-NSCUHMNNSA-N	-1	0	317.330	0.205	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]OC(C)(C)C(=O)OCC	ZINC000855135486	670680415	/nfs/dbraw/zinc/68/04/15/670680415.db2.gz	NGEZWPIUGYRHNH-LLVKDONJSA-N	-1	0	300.355	0.847	20	30		DCEDRM
O=C1NC(=O)C(=N[N-]c2ncccc2C(F)(F)F)C(=O)N1	ZINC000814217705	670681132	/nfs/dbraw/zinc/68/11/32/670681132.db2.gz	FUBYGDLDGOXACG-UHFFFAOYSA-N	-1	0	301.184	0.234	20	30		DCEDRM
O=C1[N-]C(=O)C(=NOc2ccccc2C(F)(F)F)C(=O)N1	ZINC000814225501	670681792	/nfs/dbraw/zinc/68/17/92/670681792.db2.gz	TVEMFFLIDNGTHV-UHFFFAOYSA-N	-1	0	301.180	0.806	20	30		DCEDRM
C[C@H]1C(N=Nc2nc3[nH][nH]cc-3c(=O)n2)CC[C@H]1CC(=O)[O-]	ZINC000814842551	670704964	/nfs/dbraw/zinc/70/49/64/670704964.db2.gz	BFPOPBJNHSYRHJ-RQJHMYQMSA-N	-1	0	304.310	0.721	20	30		DCEDRM
N#Cc1ccc2c(c1)CN(C(=O)C(=O)NCCCCC(=O)[O-])C2	ZINC000848609896	670704876	/nfs/dbraw/zinc/70/48/76/670704876.db2.gz	IFZFHPXTHNJSNN-UHFFFAOYSA-N	-1	0	315.329	0.772	20	30		DCEDRM
CC(=NNC(=S)NCC(N)=O)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814845221	670705568	/nfs/dbraw/zinc/70/55/68/670705568.db2.gz	UYBBJDHEZRBGHH-BDAKNGLRSA-N	-1	0	314.411	0.449	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](Cc1ccc(F)cc1)n1nnnc1C	ZINC000855603419	670734966	/nfs/dbraw/zinc/73/49/66/670734966.db2.gz	NKTAVBCIGXMNIP-ZDUSSCGKSA-N	-1	0	303.297	0.585	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1	ZINC000855603082	670735156	/nfs/dbraw/zinc/73/51/56/670735156.db2.gz	LHYIBZVETMLYSY-QWHCGFSZSA-N	-1	0	322.361	0.649	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cnc(Cl)c(C)c1	ZINC000849219155	670765891	/nfs/dbraw/zinc/76/58/91/670765891.db2.gz	KEUWAVFRZUVQIS-UHFFFAOYSA-N	-1	0	302.739	0.752	20	30		DCEDRM
O=C([O-])Cn1cc(C(=O)/C=C/c2cn(C3CCC3)nn2)nn1	ZINC000849250333	670769190	/nfs/dbraw/zinc/76/91/90/670769190.db2.gz	QXVNCIQAZFWNLL-SNAWJCMRSA-N	-1	0	302.294	0.575	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000815963543	670775473	/nfs/dbraw/zinc/77/54/73/670775473.db2.gz	DGIZLDFRGNGSBO-UHFFFAOYSA-N	-1	0	307.253	0.884	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O	ZINC000816672116	670835593	/nfs/dbraw/zinc/83/55/93/670835593.db2.gz	QBAFEHZDJFZDGQ-SECBINFHSA-N	-1	0	303.343	0.738	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O	ZINC000850476614	670916993	/nfs/dbraw/zinc/91/69/93/670916993.db2.gz	OSUHXJZXLYYSRX-SECBINFHSA-N	-1	0	303.318	0.533	20	30		DCEDRM
CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)cc1	ZINC000850731175	670937000	/nfs/dbraw/zinc/93/70/00/670937000.db2.gz	LPPKMLDLGMAABG-VIFPVBQESA-N	-1	0	309.347	1.000	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccnn1C(F)F	ZINC000850752765	670937942	/nfs/dbraw/zinc/93/79/42/670937942.db2.gz	SKQKDKHXBQIQMR-MRVPVSSYSA-N	-1	0	300.265	0.753	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000850788665	670940774	/nfs/dbraw/zinc/94/07/74/670940774.db2.gz	DVPFTMJWANUKKH-LBPRGKRZSA-N	-1	0	317.411	0.304	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cn2cc(C3CC3)cn2)CC1	ZINC000850939828	670956426	/nfs/dbraw/zinc/95/64/26/670956426.db2.gz	CPMIWFBYQRHNAW-UHFFFAOYSA-N	-1	0	308.363	0.510	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1CCC(C(=O)N(C)C)CC1	ZINC000851000181	670960431	/nfs/dbraw/zinc/96/04/31/670960431.db2.gz	QWDJWGSLSXYLLA-UHFFFAOYSA-N	-1	0	314.407	0.350	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1	ZINC000851000021	670960319	/nfs/dbraw/zinc/96/03/19/670960319.db2.gz	NOCTYFHDOJSNMW-ZIAGYGMSSA-N	-1	0	323.370	0.612	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](OC)c1cccc(OC)c1	ZINC000850999466	670960345	/nfs/dbraw/zinc/96/03/45/670960345.db2.gz	GBOAPAKZHWVIGI-CYBMUJFWSA-N	-1	0	311.359	0.852	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@](C)(OC)C(=O)OC(C)(C)C	ZINC000851000686	670960896	/nfs/dbraw/zinc/96/08/96/670960896.db2.gz	YFXFHKGCVMJOJL-ZDUSSCGKSA-N	-1	0	319.379	0.203	20	30		DCEDRM
CC(C)(C)O[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000851040944	670963796	/nfs/dbraw/zinc/96/37/96/670963796.db2.gz	NYIWWMJWLARXCB-VXGBXAGGSA-N	-1	0	323.374	0.962	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1	ZINC000851137620	670971593	/nfs/dbraw/zinc/97/15/93/670971593.db2.gz	QLXJPLXTARDRJE-UHFFFAOYSA-N	-1	0	324.349	0.655	20	30		DCEDRM
N#CCOc1cccc(CC(=O)[N-]S(=O)(=O)CC(F)F)c1	ZINC000851363208	670981656	/nfs/dbraw/zinc/98/16/56/670981656.db2.gz	GUMYPJUVEUGLHV-UHFFFAOYSA-N	-1	0	318.301	0.843	20	30		DCEDRM
COc1cc(CS(=O)(=O)[N-]C(=O)CCCC#N)sn1	ZINC000851437852	670988552	/nfs/dbraw/zinc/98/85/52/670988552.db2.gz	WISJZGFZULCJQI-UHFFFAOYSA-N	-1	0	303.365	0.792	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1	ZINC000851512536	670995790	/nfs/dbraw/zinc/99/57/90/670995790.db2.gz	QESYTYSGOAMAOF-UHFFFAOYSA-N	-1	0	317.319	0.382	20	30		DCEDRM
C#CC[C@H](CCOC)NS(=O)(=O)c1ncn(C)c1Cl	ZINC000859425896	671112674	/nfs/dbraw/zinc/11/26/74/671112674.db2.gz	MJAKHONUFWTPSZ-SECBINFHSA-N	-1	0	305.787	0.780	20	30		DCEDRM
C#CCN(CC#CC)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000859640890	671133123	/nfs/dbraw/zinc/13/31/23/671133123.db2.gz	ZMRLZDXXUZDXGK-UHFFFAOYSA-N	-1	0	305.359	0.552	20	30		DCEDRM
C[C@@H](C#N)OCCOC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000859923984	671159692	/nfs/dbraw/zinc/15/96/92/671159692.db2.gz	JMYSBODMTGCLDW-VIFPVBQESA-N	-1	0	313.335	0.539	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1OC	ZINC000853067893	671205757	/nfs/dbraw/zinc/20/57/57/671205757.db2.gz	IGCGULXMNDSFKB-UHFFFAOYSA-N	-1	0	301.295	0.543	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1C#N	ZINC000853068781	671205875	/nfs/dbraw/zinc/20/58/75/671205875.db2.gz	DPNCKDOAWWXJDN-LLVKDONJSA-N	-1	0	307.331	0.713	20	30		DCEDRM
Cc1oc(S(C)(=O)=O)cc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC000860472992	671212024	/nfs/dbraw/zinc/21/20/24/671212024.db2.gz	RGINBKNMFQYRIK-SNVBAGLBSA-N	-1	0	312.347	0.839	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C/c2cccc(C#N)c2)c(=O)n(C)c1=O	ZINC000821013383	671246140	/nfs/dbraw/zinc/24/61/40/671246140.db2.gz	ZPFUCIDCNFUWGX-VOTSOKGWSA-N	-1	0	311.297	0.557	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)c2c(C)cnn2C)nn1	ZINC000821192933	671260628	/nfs/dbraw/zinc/26/06/28/671260628.db2.gz	NYKRVBBASNJPRD-UHFFFAOYSA-N	-1	0	324.366	0.015	20	30		DCEDRM
CCN(CCC#N)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000821207478	671262037	/nfs/dbraw/zinc/26/20/37/671262037.db2.gz	NRSJAUHVAKJSMO-ZDUSSCGKSA-N	-1	0	316.365	0.842	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnn2)cc1	ZINC000821584252	671284702	/nfs/dbraw/zinc/28/47/02/671284702.db2.gz	WGRJSCZFFOGWDY-UHFFFAOYSA-N	-1	0	305.319	0.241	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)CCCc2nnn[n-]2)n1	ZINC000822531407	671328303	/nfs/dbraw/zinc/32/83/03/671328303.db2.gz	LWZJNXHSIKWROM-UHFFFAOYSA-N	-1	0	301.354	0.401	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCO1	ZINC000824868082	671442771	/nfs/dbraw/zinc/44/27/71/671442771.db2.gz	SQLDCYTXIAFIEZ-RQJHMYQMSA-N	-1	0	302.298	0.215	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1nc(N)c2ccccc2n1	ZINC000826383135	671486974	/nfs/dbraw/zinc/48/69/74/671486974.db2.gz	MFTUFPKCRMKDQC-UHFFFAOYSA-N	-1	0	318.304	0.509	20	30		DCEDRM
C=CC[C@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1	ZINC000867101320	671750841	/nfs/dbraw/zinc/75/08/41/671750841.db2.gz	SUIADWODPGQMLC-NSPYISDASA-N	-1	0	318.420	0.915	20	30		DCEDRM
C#CCCOc1ccc(C(=O)[N-]S(=O)(=O)CCOC)cc1	ZINC000835151199	671789364	/nfs/dbraw/zinc/78/93/64/671789364.db2.gz	DOOPJZZCBOYZBN-UHFFFAOYSA-N	-1	0	311.359	0.795	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](CNC(C)=O)CC(C)C	ZINC000835372382	671794847	/nfs/dbraw/zinc/79/48/47/671794847.db2.gz	SSILVASUECMRFP-ZDUSSCGKSA-N	-1	0	316.423	0.644	20	30		DCEDRM
COCCOc1ccccc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835410812	671795516	/nfs/dbraw/zinc/79/55/16/671795516.db2.gz	FORSDSHXXLBYDL-UHFFFAOYSA-N	-1	0	312.347	0.685	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CCc1ccc2c(c1)OCCO2	ZINC000835411609	671796032	/nfs/dbraw/zinc/79/60/32/671796032.db2.gz	MHJIJBVAZQWSIC-UHFFFAOYSA-N	-1	0	324.358	0.750	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@]2(COC)CCOC2)CC1	ZINC000835450048	671796551	/nfs/dbraw/zinc/79/65/51/671796551.db2.gz	VXNICGSPLMZZLM-GFCCVEGCSA-N	-1	0	303.380	0.594	20	30		DCEDRM
C#C[C@@H]([N-]S(=O)(=O)c1occc1C(=O)OC)[C@H]1CCCO1	ZINC000867123830	671798246	/nfs/dbraw/zinc/79/82/46/671798246.db2.gz	FMKOBIHNRKRDPV-GHMZBOCLSA-N	-1	0	313.331	0.525	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1	ZINC000842328835	672005560	/nfs/dbraw/zinc/00/55/60/672005560.db2.gz	FNOJVTRJFUDINH-RKDXNWHRSA-N	-1	0	301.324	0.182	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C1	ZINC000842675523	672027297	/nfs/dbraw/zinc/02/72/97/672027297.db2.gz	GUXNLZWJGREZKG-JTQLQIEISA-N	-1	0	306.343	0.873	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)nn1	ZINC000842757405	672034995	/nfs/dbraw/zinc/03/49/95/672034995.db2.gz	WBYPOODOALHLKS-UHFFFAOYSA-N	-1	0	323.378	0.608	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1	ZINC000845536101	672257014	/nfs/dbraw/zinc/25/70/14/672257014.db2.gz	MWVIQKUEOZAFNJ-ZDUSSCGKSA-N	-1	0	320.349	0.301	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(C(=O)NCC)c1	ZINC000846150233	672297507	/nfs/dbraw/zinc/29/75/07/672297507.db2.gz	BYVKVZQLQSYVMV-UHFFFAOYSA-N	-1	0	305.334	0.999	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1	ZINC000846152908	672297921	/nfs/dbraw/zinc/29/79/21/672297921.db2.gz	VNHSYQMVBFOIIV-NSHDSACASA-N	-1	0	319.361	0.878	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)c1cc2ccccc2n1CC#N	ZINC000846496986	672319175	/nfs/dbraw/zinc/31/91/75/672319175.db2.gz	SJLRGRYJZGPRPK-UHFFFAOYSA-N	-1	0	300.318	0.962	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)[O-]	ZINC000844783987	685367882	/nfs/dbraw/zinc/36/78/82/685367882.db2.gz	CABFZRNDGZKEHQ-NSHDSACASA-N	-1	0	319.383	0.102	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001038809152	694198404	/nfs/dbraw/zinc/19/84/04/694198404.db2.gz	XRKHOOOPQUHQHY-GVXVVHGQSA-N	-1	0	321.381	0.182	20	30		DCEDRM
C=C(Cl)CN1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001009331092	691025100	/nfs/dbraw/zinc/02/51/00/691025100.db2.gz	UTTQFXKFFQIULM-SECBINFHSA-N	-1	0	315.761	0.022	20	30		DCEDRM
C=CCOCC(=O)NCCCN(C)C(=O)c1ncccc1O	ZINC001687412123	1158296689	/nfs/dbraw/zinc/29/66/89/1158296689.db2.gz	HJTQMJZDQFPVRM-UHFFFAOYSA-N	-1	0	307.350	0.568	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001571821341	1162943441	/nfs/dbraw/zinc/94/34/41/1162943441.db2.gz	OVIGUNALEZBHQF-MWLCHTKSSA-N	-1	0	322.365	0.039	20	30		DCEDRM
C=CCOCC(=O)N1CCCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001691780790	1158694595	/nfs/dbraw/zinc/69/45/95/1158694595.db2.gz	QXHWQRWHKGCPSJ-LBPRGKRZSA-N	-1	0	323.397	0.526	20	30		DCEDRM
N#C[C@]1(F)CCN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1	ZINC001608177012	1159802713	/nfs/dbraw/zinc/80/27/13/1159802713.db2.gz	IXWXAXQYMSGHEA-HOSYDEDBSA-N	-1	0	304.343	0.897	20	30		DCEDRM
CCc1oc(C=NN[C@H]2CCS(=O)(=O)C2)cc1C(=O)[O-]	ZINC001610078648	1159833339	/nfs/dbraw/zinc/83/33/39/1159833339.db2.gz	BEWBCRCYMVRJOC-QMMMGPOBSA-N	-1	0	300.336	0.651	20	30		DCEDRM
CCSCC[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001566073992	1159960141	/nfs/dbraw/zinc/96/01/41/1159960141.db2.gz	YQRCXAWMNMNWQC-VIFPVBQESA-N	-1	0	310.379	0.468	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1C[C@@H]2C[C@H]1CN2CC#N	ZINC001567866748	1160509810	/nfs/dbraw/zinc/50/98/10/1160509810.db2.gz	UQNQJMQSTUHZIU-IUCAKERBSA-N	-1	0	318.299	0.252	20	30		DCEDRM
COC(=O)NCCNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001569069339	1160933941	/nfs/dbraw/zinc/93/39/41/1160933941.db2.gz	ZWNADJWLJXDYTM-UHFFFAOYSA-N	-1	0	310.335	0.467	20	30		DCEDRM
CC#CCCCC(=O)N1C[C@@H]2CN(C(=O)CNC(=O)[O-])C[C@@H]2C1	ZINC001573384380	1163419969	/nfs/dbraw/zinc/41/99/69/1163419969.db2.gz	KVBOVTLFPYLWCJ-BETUJISGSA-N	-1	0	321.377	0.364	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	ZINC001573477140	1163446066	/nfs/dbraw/zinc/44/60/66/1163446066.db2.gz	VKJDYQSOZSFBFA-OUAUKWLOSA-N	-1	0	300.380	0.909	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C2CCC(CC2)[C@H]1C(=O)[O-]	ZINC001573534910	1163461718	/nfs/dbraw/zinc/46/17/18/1163461718.db2.gz	GBEQKHHYDGDSRC-YYJSSNLHSA-N	-1	0	315.395	0.793	20	30		DCEDRM
C[S@@](=O)C1(C(=O)[O-])CCN(Cc2nc(C#N)cs2)CC1	ZINC001574097915	1163635711	/nfs/dbraw/zinc/63/57/11/1163635711.db2.gz	UYVABDBEGVGQKW-HXUWFJFHSA-N	-1	0	313.404	0.812	20	30		DCEDRM
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](O)CC(=O)[O-]	ZINC001574173344	1163651037	/nfs/dbraw/zinc/65/10/37/1163651037.db2.gz	RPUBHVWGJYWVDH-JTQLQIEISA-N	-1	0	315.289	0.222	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)cc1	ZINC001574245308	1163673048	/nfs/dbraw/zinc/67/30/48/1163673048.db2.gz	LFKIGFAOADCMHV-CJNGLKHVSA-N	-1	0	318.329	0.589	20	30		DCEDRM
C[C@H]1Cc2n[nH]cc2CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001576386950	1164321911	/nfs/dbraw/zinc/32/19/11/1164321911.db2.gz	WPHAZAMWWDMXOM-QMMMGPOBSA-N	-1	0	322.336	0.450	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CCc1ccc(C(N)=O)cc1	ZINC001581410280	1165822851	/nfs/dbraw/zinc/82/28/51/1165822851.db2.gz	AGFHEFKKAVYCMD-UHFFFAOYSA-N	-1	0	322.332	0.585	20	30		DCEDRM
N#CC1(C(=O)NCc2cncc(-c3nn[nH]n3)c2)CCOCC1	ZINC001581857160	1165889363	/nfs/dbraw/zinc/88/93/63/1165889363.db2.gz	RHPQVCJZDSKDKX-UHFFFAOYSA-N	-1	0	313.321	0.198	20	30		DCEDRM
N#CCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[nH]n3)c2)C1	ZINC001581858051	1165889729	/nfs/dbraw/zinc/88/97/29/1165889729.db2.gz	OKUBWYHDUNHAHE-QWHCGFSZSA-N	-1	0	324.344	0.457	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)Nc2ccnc(-c3nn[nH]n3)c2)C1	ZINC001581857513	1165890174	/nfs/dbraw/zinc/89/01/74/1165890174.db2.gz	BKHHHJWDTXONPH-ZDUSSCGKSA-N	-1	0	314.309	0.144	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)nc1-c1nnn[n-]1	ZINC001581883323	1165902091	/nfs/dbraw/zinc/90/20/91/1165902091.db2.gz	WGTPDWSHQSQJLK-ZEGGKSINSA-N	-1	0	324.348	0.898	20	30		DCEDRM
N#Cc1ncc(N[C@H]2CCCN(CCF)C2)nc1-c1nnn[n-]1	ZINC001581883266	1165902234	/nfs/dbraw/zinc/90/22/34/1165902234.db2.gz	UIKSHEQIZHDWHO-VIFPVBQESA-N	-1	0	317.332	0.374	20	30		DCEDRM
N#Cc1ncc(NCC2(CO)CCCCC2)nc1-c1nnn[n-]1	ZINC001581883043	1165902388	/nfs/dbraw/zinc/90/23/88/1165902388.db2.gz	NNCTWYOFGCOFRT-UHFFFAOYSA-N	-1	0	314.353	0.883	20	30		DCEDRM
N#Cc1ncc(NCc2cn(C3CCC3)nn2)nc1-c1nnn[n-]1	ZINC001581884070	1165904220	/nfs/dbraw/zinc/90/42/20/1165904220.db2.gz	JAZQRGXAOKVQAG-UHFFFAOYSA-N	-1	0	323.324	0.457	20	30		DCEDRM
C=C(C)CCC(=O)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001582158370	1165971702	/nfs/dbraw/zinc/97/17/02/1165971702.db2.gz	KVHPDRKOOVFZHE-UHFFFAOYSA-N	-1	0	306.366	0.968	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)c2cn[nH]n2)CC1	ZINC001582726263	1166070264	/nfs/dbraw/zinc/07/02/64/1166070264.db2.gz	OUIYZOOGUNKFIR-SRVKXCTJSA-N	-1	0	319.365	0.000	20	30		DCEDRM
CCCCS[C@@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001585292304	1166414873	/nfs/dbraw/zinc/41/48/73/1166414873.db2.gz	ICEIAZCYEARFEJ-JTQLQIEISA-N	-1	0	324.406	0.859	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001586247207	1166486049	/nfs/dbraw/zinc/48/60/49/1166486049.db2.gz	MFMRIVRZWRQFRI-UHFFFAOYSA-N	-1	0	302.290	0.018	20	30		DCEDRM
C#C[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)(C)C	ZINC001588327232	1166524841	/nfs/dbraw/zinc/52/48/41/1166524841.db2.gz	FFYKHKXGIKFWIT-IUCAKERBSA-N	-1	0	302.342	0.183	20	30		DCEDRM
C#CCO[N-]C(=O)C1(c2cc(F)cc(-c3nn[nH]n3)c2)CC1	ZINC001588363598	1166548242	/nfs/dbraw/zinc/54/82/42/1166548242.db2.gz	PHYYJIPFSQIQQI-UHFFFAOYSA-N	-1	0	301.281	0.718	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(OC)cc1OCCOC)C(=O)[O-]	ZINC001588414387	1166551813	/nfs/dbraw/zinc/55/18/13/1166551813.db2.gz	LXMZHHGCHSNIGB-ZDUSSCGKSA-N	-1	0	321.329	0.927	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC001588428745	1166554222	/nfs/dbraw/zinc/55/42/22/1166554222.db2.gz	ZRMUNNZBPROZNU-SNVBAGLBSA-N	-1	0	312.734	0.966	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001588489624	1166557594	/nfs/dbraw/zinc/55/75/94/1166557594.db2.gz	HQDCWZCQMQGVNH-JTQLQIEISA-N	-1	0	306.322	0.131	20	30		DCEDRM
C=CCCC(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1	ZINC001588571829	1166564169	/nfs/dbraw/zinc/56/41/69/1166564169.db2.gz	PUSLDGDRSNCLFX-JTQLQIEISA-N	-1	0	314.353	0.058	20	30		DCEDRM
C=CCCCCCn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O	ZINC001588596762	1166567954	/nfs/dbraw/zinc/56/79/54/1166567954.db2.gz	YWSYGRGHMCWDIA-UHFFFAOYSA-N	-1	0	304.354	0.956	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccnc(-c2nn[nH]n2)c1	ZINC001588726102	1166581930	/nfs/dbraw/zinc/58/19/30/1166581930.db2.gz	SQAYZVCYUCZTFL-JQWIXIFHSA-N	-1	0	300.322	0.583	20	30		DCEDRM
C=Cn1cc(C=Nn2c(C)cc(C)c(-c3nnn[n-]3)c2=O)cn1	ZINC001588737763	1166583492	/nfs/dbraw/zinc/58/34/92/1166583492.db2.gz	IJNQASMEYPVSLJ-UHFFFAOYSA-N	-1	0	310.321	0.824	20	30		DCEDRM
C[C@H](C(=O)NCc1cccc(C#N)c1)n1cnc(-c2nnn[n-]2)n1	ZINC001588999206	1166625860	/nfs/dbraw/zinc/62/58/60/1166625860.db2.gz	YPPJAAYYUZSJBT-SECBINFHSA-N	-1	0	323.320	0.207	20	30		DCEDRM
C[C@H](C(=O)Nc1ccccc1C#N)n1cnc(-c2nnn[n-]2)n1	ZINC001589020083	1166628171	/nfs/dbraw/zinc/62/81/71/1166628171.db2.gz	CMRYJWPHLJWWEC-MRVPVSSYSA-N	-1	0	309.293	0.530	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)Oc1cccnc1-c1nnn[n-]1	ZINC001589267316	1166641854	/nfs/dbraw/zinc/64/18/54/1166641854.db2.gz	PIXIATLNLYOHCW-UHFFFAOYSA-N	-1	0	322.350	0.910	20	30		DCEDRM
COC[C@@H](C#N)OC(=O)C1(c2cccc(-c3nn[nH]n3)c2)CC1	ZINC001591367790	1167240448	/nfs/dbraw/zinc/24/04/48/1167240448.db2.gz	PHIJTRFNVLGDCQ-GFCCVEGCSA-N	-1	0	313.317	0.980	20	30		DCEDRM
COc1ccc2c(c1)C[C@@H](Cn1cnc(-c3nnn[n-]3)c1C#N)O2	ZINC001591626354	1167341684	/nfs/dbraw/zinc/34/16/84/1167341684.db2.gz	LZWLPXYXLGEFGE-NSHDSACASA-N	-1	0	323.316	0.947	20	30		DCEDRM
Cc1nn(Cc2nc(C#N)cs2)c(=O)c(-c2nnn[n-]2)c1C	ZINC001592438007	1167523433	/nfs/dbraw/zinc/52/34/33/1167523433.db2.gz	PLQWLLMQRULYRH-UHFFFAOYSA-N	-1	0	314.334	0.417	20	30		DCEDRM
Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1	ZINC001600076016	1168112607	/nfs/dbraw/zinc/11/26/07/1168112607.db2.gz	XEEOJNMLOZVOPN-FSZOTQKASA-N	-1	0	315.333	0.437	20	30		DCEDRM
Cc1nc2nc(C)cc(N3CCC(C#N)(C(=O)[O-])CC3)n2n1	ZINC001600239184	1168143949	/nfs/dbraw/zinc/14/39/49/1168143949.db2.gz	TZDCEBXCVZFTBN-UHFFFAOYSA-N	-1	0	300.322	0.936	20	30		DCEDRM
Cc1ccc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])cc1C#N	ZINC001600414354	1168180113	/nfs/dbraw/zinc/18/01/13/1168180113.db2.gz	MVULORZRZQTNAU-AWEZNQCLSA-N	-1	0	322.386	0.940	20	30		DCEDRM
Cc1nc(C#N)c(C#N)n1CC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC001600682135	1168247867	/nfs/dbraw/zinc/24/78/67/1168247867.db2.gz	MQOLPRRXMPPKNF-JTQLQIEISA-N	-1	0	303.322	0.550	20	30		DCEDRM
Cn1c(NCc2ccc(C(=O)[O-])s2)c(C#N)c(=O)n(C)c1=O	ZINC001600921540	1168509039	/nfs/dbraw/zinc/50/90/39/1168509039.db2.gz	DQVSVPRMYLIOED-UHFFFAOYSA-N	-1	0	320.330	0.327	20	30		DCEDRM
Cn1cc(/C=C/C(=O)c2cn(CC(=O)[O-])nn2)c(C(F)F)n1	ZINC001600946575	1168524427	/nfs/dbraw/zinc/52/44/27/1168524427.db2.gz	RBVRKJMLXDSLQS-NSCUHMNNSA-N	-1	0	311.248	0.930	20	30		DCEDRM
N#CC[C@H](NC(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1)C(F)(F)F	ZINC001601061920	1168579022	/nfs/dbraw/zinc/57/90/22/1168579022.db2.gz	JMECCOOBWYYWRT-YIZRAAEISA-N	-1	0	323.271	0.867	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])C1	ZINC001601063483	1168579582	/nfs/dbraw/zinc/57/95/82/1168579582.db2.gz	WLUIYIGAIJSEFW-UHFFFAOYSA-N	-1	0	314.294	0.173	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cnn(-c2ccc(Cl)cc2)n1	ZINC001601071594	1168581251	/nfs/dbraw/zinc/58/12/51/1168581251.db2.gz	YHDFLTPAYCHLDN-UHFFFAOYSA-N	-1	0	319.708	0.971	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccc2c(c1)NC(=O)CO2	ZINC001601072624	1168581586	/nfs/dbraw/zinc/58/15/86/1168581586.db2.gz	YLPOKIGRLFSOFT-UHFFFAOYSA-N	-1	0	303.274	0.458	20	30		DCEDRM
N#CCN1CCC(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	ZINC001601073114	1168581696	/nfs/dbraw/zinc/58/16/96/1168581696.db2.gz	CBOYYZSBZLJQQF-UHFFFAOYSA-N	-1	0	319.365	0.374	20	30		DCEDRM
N#CCN(CCC(=O)Nc1sccc1C(N)=O)CC(=O)[O-]	ZINC001601072777	1168581909	/nfs/dbraw/zinc/58/19/09/1168581909.db2.gz	WYCKGZWECOKXPR-UHFFFAOYSA-N	-1	0	310.335	0.086	20	30		DCEDRM
N#CCc1cccc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)c1	ZINC001601077414	1168582247	/nfs/dbraw/zinc/58/22/47/1168582247.db2.gz	CWKCPILQJQQHOV-CYBMUJFWSA-N	-1	0	316.313	0.985	20	30		DCEDRM
N#CCc1ccc(OC[C@@H](O)CN2CCOC[C@H]2C(=O)[O-])cc1	ZINC001601077334	1168582267	/nfs/dbraw/zinc/58/22/67/1168582267.db2.gz	YCSZQPZUQUZAQT-ZFWWWQNUSA-N	-1	0	320.345	0.278	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC001601075494	1168582326	/nfs/dbraw/zinc/58/23/26/1168582326.db2.gz	IPIPHCMPYPJJNA-NSHDSACASA-N	-1	0	304.302	0.905	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001601078698	1168582730	/nfs/dbraw/zinc/58/27/30/1168582730.db2.gz	WIMPIFWERUUSOJ-MRXNPFEDSA-N	-1	0	316.357	0.979	20	30		DCEDRM
N#CCc1ccsc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001601078877	1168582929	/nfs/dbraw/zinc/58/29/29/1168582929.db2.gz	GXSWPGPRQFGONH-UHFFFAOYSA-N	-1	0	317.330	0.801	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC001601078404	1168583075	/nfs/dbraw/zinc/58/30/75/1168583075.db2.gz	LEMYXOGZYSBDLS-GFCCVEGCSA-N	-1	0	324.358	0.617	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)OCCc1cn(CC(=O)[O-])nn1	ZINC001601082851	1168583194	/nfs/dbraw/zinc/58/31/94/1168583194.db2.gz	SAPIJAUQYFPRNI-UHFFFAOYSA-N	-1	0	318.264	0.773	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@@H](CO)C(=O)[O-])cnc1C(F)(F)F	ZINC001601086301	1168583297	/nfs/dbraw/zinc/58/32/97/1168583297.db2.gz	IWBUEAFCQQJARH-ZETCQYMHSA-N	-1	0	303.196	0.147	20	30		DCEDRM
N#Cc1cc(Br)ccc1C(=O)N[C@H](CO)C(=O)[O-]	ZINC001601085102	1168583356	/nfs/dbraw/zinc/58/33/56/1168583356.db2.gz	NAOSOWRADXCZRV-SECBINFHSA-N	-1	0	313.107	0.496	20	30		DCEDRM
N#Cc1cc(Cl)nc(N2CCC[C@H]2C(=O)NCC(=O)[O-])c1	ZINC001601088046	1168583361	/nfs/dbraw/zinc/58/33/61/1168583361.db2.gz	NWMSHXHEEWYTPY-VIFPVBQESA-N	-1	0	308.725	0.776	20	30		DCEDRM
N#Cc1c2c(cn(CN3CCOC[C@H]3CC(=O)[O-])c1=O)CCC2	ZINC001601084011	1168583389	/nfs/dbraw/zinc/58/33/89/1168583389.db2.gz	CQMDOCXQWJBKQI-GFCCVEGCSA-N	-1	0	317.345	0.342	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c(F)c1	ZINC001601087057	1168583421	/nfs/dbraw/zinc/58/34/21/1168583421.db2.gz	AVSRAFYRQNZSOS-DTWKUNHWSA-N	-1	0	310.256	0.744	20	30		DCEDRM
N#Cc1cc(Cl)nc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1	ZINC001601088043	1168583681	/nfs/dbraw/zinc/58/36/81/1168583681.db2.gz	NWMSHXHEEWYTPY-SECBINFHSA-N	-1	0	308.725	0.776	20	30		DCEDRM
N#Cc1cc(NC(=O)NCCC(=O)NCCC(=O)[O-])ccc1F	ZINC001601090440	1168584053	/nfs/dbraw/zinc/58/40/53/1168584053.db2.gz	AYIYVYOJIPNDBT-UHFFFAOYSA-N	-1	0	322.296	0.800	20	30		DCEDRM
N#Cc1ccc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])[nH]1	ZINC001601091728	1168584174	/nfs/dbraw/zinc/58/41/74/1168584174.db2.gz	AUUYWSJYIUOTAI-JLVKAVFRSA-N	-1	0	316.317	0.009	20	30		DCEDRM
N#Cc1cc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])c([N+](=O)[O-])s1	ZINC001601090366	1168584242	/nfs/dbraw/zinc/58/42/42/1168584242.db2.gz	WXUVODBDPACBTE-MRVPVSSYSA-N	-1	0	324.318	0.698	20	30		DCEDRM
N#Cc1ccc(CC(=O)N[C@H](CC2OCCO2)C(=O)[O-])cc1	ZINC001601098560	1168584516	/nfs/dbraw/zinc/58/45/16/1168584516.db2.gz	PTZGCZLOPLHQOS-GFCCVEGCSA-N	-1	0	304.302	0.433	20	30		DCEDRM
N#Cc1ccc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)o1	ZINC001601099840	1168584530	/nfs/dbraw/zinc/58/45/30/1168584530.db2.gz	DIPCSPFKUYKJOT-OAHLLOKOSA-N	-1	0	305.334	0.513	20	30		DCEDRM
N#Cc1ccc(CCN2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)cc1	ZINC001601098403	1168584551	/nfs/dbraw/zinc/58/45/51/1168584551.db2.gz	WECDSHDPCFDXDV-JHJVBQTASA-N	-1	0	313.313	0.742	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)NCC2(C(=O)[O-])CCOCC2)cc1	ZINC001601096999	1168584651	/nfs/dbraw/zinc/58/46/51/1168584651.db2.gz	SFRGLQLIVISADW-ZDUSSCGKSA-N	-1	0	318.329	0.589	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cc1	ZINC001601100659	1168585469	/nfs/dbraw/zinc/58/54/69/1168585469.db2.gz	SNAPKUURJXALTK-UHFFFAOYSA-N	-1	0	315.329	0.498	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)nc1	ZINC001601102114	1168585767	/nfs/dbraw/zinc/58/57/67/1168585767.db2.gz	ZYZQAKUQSMMRMD-UHFFFAOYSA-N	-1	0	318.314	0.525	20	30		DCEDRM
N#Cc1ccc(N2CCN(c3nccc(C(=O)[O-])n3)CC2)cn1	ZINC001601106161	1168585950	/nfs/dbraw/zinc/58/59/50/1168585950.db2.gz	PXIDCDRVFDEJDY-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1ccc(OC2CN(C(=O)NC[C@H](F)C(=O)[O-])C2)cc1	ZINC001601109332	1168586003	/nfs/dbraw/zinc/58/60/03/1168586003.db2.gz	OOBKVGJAATZJJN-LBPRGKRZSA-N	-1	0	307.281	0.754	20	30		DCEDRM
N#Cc1ccc(NC(=O)CN2CCC[C@H](O)[C@H]2C(=O)[O-])cc1	ZINC001601106913	1168586374	/nfs/dbraw/zinc/58/63/74/1168586374.db2.gz	JQZWXCPMZZYHPX-JSGCOSHPSA-N	-1	0	303.318	0.407	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC3(C2)CCCO3)c(C(=O)[O-])c1	ZINC001601110765	1168586841	/nfs/dbraw/zinc/58/68/41/1168586841.db2.gz	KMRKYZISBZRJQV-UHFFFAOYSA-N	-1	0	322.342	0.810	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1	ZINC001601121532	1168588796	/nfs/dbraw/zinc/58/87/96/1168588796.db2.gz	SONFOQMSYOJIKF-UHFFFAOYSA-N	-1	0	319.342	0.937	20	30		DCEDRM
N#Cc1cccc2[nH]cc(C(=O)NCCn3cc(C(=O)[O-])nn3)c21	ZINC001601124687	1168588844	/nfs/dbraw/zinc/58/88/44/1168588844.db2.gz	RIKQNOPQYAJTNF-UHFFFAOYSA-N	-1	0	324.300	0.759	20	30		DCEDRM
N#Cc1ccnc(N2CCN(c3cc(C(=O)[O-])ncn3)CC2)c1	ZINC001601127577	1168589425	/nfs/dbraw/zinc/58/94/25/1168589425.db2.gz	QSSGXKPLMVAZFS-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C2CC2)c1	ZINC001601130882	1168591885	/nfs/dbraw/zinc/59/18/85/1168591885.db2.gz	NIBXNUMHHMNNGV-LLVKDONJSA-N	-1	0	309.347	0.732	20	30		DCEDRM
N#Cc1nccn1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC001601134983	1168592261	/nfs/dbraw/zinc/59/22/61/1168592261.db2.gz	FIXDXFUJHVLODO-ZDUSSCGKSA-N	-1	0	310.313	0.793	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC001601133823	1168593327	/nfs/dbraw/zinc/59/33/27/1168593327.db2.gz	WEKARSMAUJHSID-GJZGRUSLSA-N	-1	0	316.361	0.687	20	30		DCEDRM
N#Cc1sc(NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])nc1Cl	ZINC001601136241	1168594230	/nfs/dbraw/zinc/59/42/30/1168594230.db2.gz	MCCFBRJQWBMFDN-NTSWFWBYSA-N	-1	0	314.754	0.917	20	30		DCEDRM
O=C(C#CC1CC1)NCCC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001601223124	1168666060	/nfs/dbraw/zinc/66/60/60/1168666060.db2.gz	BZYONETWLUWXMC-CHWSQXEVSA-N	-1	0	318.373	0.523	20	30		DCEDRM
O=C([O-])c1nccc(N[C@@H](CNC(=O)C#CC2CC2)C2CC2)n1	ZINC001601223397	1168666822	/nfs/dbraw/zinc/66/68/22/1168666822.db2.gz	GDKJSFXUZIPGLU-LBPRGKRZSA-N	-1	0	314.345	0.317	20	30		DCEDRM
O=C([O-])C1(O)CN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1	ZINC001601223087	1168666910	/nfs/dbraw/zinc/66/69/10/1168666910.db2.gz	BBOKTIWLUZJBKB-UHFFFAOYSA-N	-1	0	313.231	0.715	20	30		DCEDRM
O=C([O-])[C@@H]1CCCN(CC(=O)NCC#Cc2ccccc2)C1=O	ZINC001601308803	1168699907	/nfs/dbraw/zinc/69/99/07/1168699907.db2.gz	QZBSIVDPROOVSZ-CQSZACIVSA-N	-1	0	314.341	0.478	20	30		DCEDRM
O=C([O-])C1=CC[C@H](NC(=O)C(=O)NCC#Cc2ccccc2)C1	ZINC001601736654	1168841409	/nfs/dbraw/zinc/84/14/09/1168841409.db2.gz	INSBTRHIZALQNN-AWEZNQCLSA-N	-1	0	312.325	0.444	20	30		DCEDRM
O=C([O-])CCC(=O)COC(=O)C#Cc1ccc2c(c1)OCO2	ZINC001601969146	1168951021	/nfs/dbraw/zinc/95/10/21/1168951021.db2.gz	PMTPCRRXRDDCNC-UHFFFAOYSA-N	-1	0	304.254	0.744	20	30		DCEDRM
O=C([O-])c1ccc(C=NN[C@@H]2CCS(=O)(=O)C2)c(F)c1	ZINC001602331037	1169060162	/nfs/dbraw/zinc/06/01/62/1169060162.db2.gz	NUUWAZPRGOQKKJ-SNVBAGLBSA-N	-1	0	300.311	0.635	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C	ZINC001602670929	1169155530	/nfs/dbraw/zinc/15/55/30/1169155530.db2.gz	LVWMLTGKHJDQJJ-NSHDSACASA-N	-1	0	317.345	0.917	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)C(=O)[O-]	ZINC001602693422	1169162392	/nfs/dbraw/zinc/16/23/92/1169162392.db2.gz	SWLZZZGSMSDIEY-LBPRGKRZSA-N	-1	0	309.343	0.438	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)CCCCCC(=O)[O-])C(=O)OC	ZINC001602698852	1169164213	/nfs/dbraw/zinc/16/42/13/1169164213.db2.gz	XYNJQZAVCWUYCY-JTQLQIEISA-N	-1	0	305.352	0.116	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)C1=Cc2ccccc2OC1)C(=O)[O-]	ZINC001602698315	1169164426	/nfs/dbraw/zinc/16/44/26/1169164426.db2.gz	BONXXJADXJARBZ-LBPRGKRZSA-N	-1	0	307.327	0.816	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])C(=O)OC	ZINC001602698853	1169165035	/nfs/dbraw/zinc/16/50/35/1169165035.db2.gz	XYNJQZAVCWUYCY-SNVBAGLBSA-N	-1	0	305.352	0.116	20	30		DCEDRM
C#CCCCCCC(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001602702515	1169166421	/nfs/dbraw/zinc/16/64/21/1169166421.db2.gz	FNFWVGWKNJURMD-UONOGXRCSA-N	-1	0	320.389	0.960	20	30		DCEDRM
C#CCN1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)C1	ZINC001602720044	1169170290	/nfs/dbraw/zinc/17/02/90/1169170290.db2.gz	JGEDBHKWOQXLBO-CHWSQXEVSA-N	-1	0	306.362	0.034	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c1	ZINC001602742171	1169176103	/nfs/dbraw/zinc/17/61/03/1169176103.db2.gz	GVINBLOTNAXFSR-RISCZKNCSA-N	-1	0	314.341	0.606	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)nc1	ZINC001602740104	1169176280	/nfs/dbraw/zinc/17/62/80/1169176280.db2.gz	WHOUVYZYFSMOAL-NSHDSACASA-N	-1	0	311.301	0.440	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1	ZINC001602742107	1169176644	/nfs/dbraw/zinc/17/66/44/1169176644.db2.gz	DTTCXTCDLOEDCU-CHWSQXEVSA-N	-1	0	316.313	0.043	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)Cc1ccc(C(=O)OC)nc1)C(=O)[O-]	ZINC001602748590	1169177642	/nfs/dbraw/zinc/17/76/42/1169177642.db2.gz	CYMFUDUHZXAJHW-GFCCVEGCSA-N	-1	0	306.318	0.946	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CCCN1C(=O)CN(C)C1=O)C(=O)[O-]	ZINC001602749501	1169177987	/nfs/dbraw/zinc/17/79/87/1169177987.db2.gz	GDNRCFDJQWZOTM-JTQLQIEISA-N	-1	0	311.338	0.196	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1	ZINC001602744806	1169178032	/nfs/dbraw/zinc/17/80/32/1169178032.db2.gz	NNIKNOHFLGLURB-JTQLQIEISA-N	-1	0	322.365	0.088	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cc(C(N)=O)oc1C)C(=O)[O-]	ZINC001602756967	1169179567	/nfs/dbraw/zinc/17/95/67/1169179567.db2.gz	CIXNNUGTVVIJQX-QMMMGPOBSA-N	-1	0	316.335	0.385	20	30		DCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001602750508	1169180112	/nfs/dbraw/zinc/18/01/12/1169180112.db2.gz	UGYNVJYRYXAZGG-SECBINFHSA-N	-1	0	300.336	0.385	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001602764928	1169181487	/nfs/dbraw/zinc/18/14/87/1169181487.db2.gz	YFZOSICKQQNUFC-NXEZZACHSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC001602760653	1169181722	/nfs/dbraw/zinc/18/17/22/1169181722.db2.gz	CINNDGGNRIUQIP-LBPRGKRZSA-N	-1	0	322.283	0.887	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@]2(CC(C(=O)OC)=NO2)C1	ZINC001602776249	1169182584	/nfs/dbraw/zinc/18/25/84/1169182584.db2.gz	OUKNPKHCKSINCP-CQSZACIVSA-N	-1	0	310.306	0.328	20	30		DCEDRM
C=C(C)Cn1c(N2CCO[C@@H](CC(=O)[O-])C2)nnc1C1(O)CC1	ZINC001602770747	1169183543	/nfs/dbraw/zinc/18/35/43/1169183543.db2.gz	BIEKKVNCOVGPAR-NSHDSACASA-N	-1	0	322.365	0.516	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)C1	ZINC001602791467	1169185230	/nfs/dbraw/zinc/18/52/30/1169185230.db2.gz	QQYFTFSJSIDYLS-NEPJUHHUSA-N	-1	0	306.362	0.733	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-]	ZINC001602873495	1169197952	/nfs/dbraw/zinc/19/79/52/1169197952.db2.gz	WUKLFPFSRZKJRN-SNVBAGLBSA-N	-1	0	313.379	0.917	20	30		DCEDRM
C=CCN1CC[C@H](N(C)Cc2noc(CCCC(=O)[O-])n2)C1=O	ZINC001602897858	1169200658	/nfs/dbraw/zinc/20/06/58/1169200658.db2.gz	FSICGBKIPLDZNP-NSHDSACASA-N	-1	0	322.365	0.696	20	30		DCEDRM
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]2C(=O)[O-])c1	ZINC001602904956	1169201818	/nfs/dbraw/zinc/20/18/18/1169201818.db2.gz	OCSKJYZPXOANSL-GFCCVEGCSA-N	-1	0	324.358	0.450	20	30		DCEDRM
C=CCOCC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001602906305	1169201847	/nfs/dbraw/zinc/20/18/47/1169201847.db2.gz	DGLHMQAABPDJTD-MNOVXSKESA-N	-1	0	310.350	0.065	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCOC1CCOCC1)C(=O)[O-]	ZINC001602910377	1169202766	/nfs/dbraw/zinc/20/27/66/1169202766.db2.gz	XJTSLMISVRGIAB-GFCCVEGCSA-N	-1	0	301.339	0.344	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC001602909021	1169203254	/nfs/dbraw/zinc/20/32/54/1169203254.db2.gz	KQKMXWFTXLLQGY-AWEZNQCLSA-N	-1	0	318.329	0.903	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)C(=O)OC	ZINC001602912728	1169203456	/nfs/dbraw/zinc/20/34/56/1169203456.db2.gz	BPYIFGQGRWDMLA-OKPNEXGHSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOCCCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001602915272	1169204119	/nfs/dbraw/zinc/20/41/19/1169204119.db2.gz	ILIITGPHZGDWLC-OLZOCXBDSA-N	-1	0	324.377	0.359	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)C(=O)[O-]	ZINC001602913691	1169204734	/nfs/dbraw/zinc/20/47/34/1169204734.db2.gz	XKTKNJNLFFWIHB-LBPRGKRZSA-N	-1	0	321.333	0.241	20	30		DCEDRM
C=CCOCCCC(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001602915810	1169204797	/nfs/dbraw/zinc/20/47/97/1169204797.db2.gz	ZJGGTUTZAMVSJC-NEPJUHHUSA-N	-1	0	313.350	0.834	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001602924694	1169208041	/nfs/dbraw/zinc/20/80/41/1169208041.db2.gz	AYFLPRZRDDGEQN-QWRGUYRKSA-N	-1	0	306.318	0.554	20	30		DCEDRM
C=CCn1c(C2CC2)nnc1N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001602932128	1169210681	/nfs/dbraw/zinc/21/06/81/1169210681.db2.gz	KIVWLMPZTWRHMA-WDEREUQCSA-N	-1	0	320.349	0.652	20	30		DCEDRM
C=CCn1cc(C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])nn1	ZINC001602937767	1169211986	/nfs/dbraw/zinc/21/19/86/1169211986.db2.gz	GAZRDXSIAILVAJ-CYBMUJFWSA-N	-1	0	316.317	0.726	20	30		DCEDRM
CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001602945736	1169216160	/nfs/dbraw/zinc/21/61/60/1169216160.db2.gz	KMPHWYZDBKCFPV-VHSXEESVSA-N	-1	0	316.329	0.832	20	30		DCEDRM
C[C@H](C#N)C(=O)NC/C=C\CNc1ncccc1-c1nn[nH]n1	ZINC001602983624	1169224676	/nfs/dbraw/zinc/22/46/76/1169224676.db2.gz	KXVSSOBTYSCKFU-MXQLGCADSA-N	-1	0	312.337	0.506	20	30		DCEDRM
C[C@](C#N)(NC(=O)CN[C@H](C(=O)[O-])c1cccc(O)c1)C1CC1	ZINC001603126728	1169249884	/nfs/dbraw/zinc/24/98/84/1169249884.db2.gz	RGHNKQNOYFSIRP-GOEBONIOSA-N	-1	0	317.345	0.916	20	30		DCEDRM
C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccsc1)n1cnc(C#N)n1	ZINC001603153698	1169258223	/nfs/dbraw/zinc/25/82/23/1169258223.db2.gz	PFDIQQXIDFAXFO-OIBJUYFYSA-N	-1	0	305.319	0.714	20	30		DCEDRM
C[C@H](C(=O)NC1(C(=O)[O-])CCSCC1)n1cnc(C#N)n1	ZINC001603155708	1169259456	/nfs/dbraw/zinc/25/94/56/1169259456.db2.gz	KLQBXQSGRPGTSW-MRVPVSSYSA-N	-1	0	309.351	0.177	20	30		DCEDRM
C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC(O)(CC#N)C1	ZINC001603167786	1169265196	/nfs/dbraw/zinc/26/51/96/1169265196.db2.gz	WRNNRIZSHVSQSK-LLVKDONJSA-N	-1	0	317.345	0.350	20	30		DCEDRM
CC(C)(C)OC(=O)CN(CCC(=O)[O-])c1cncc(C#N)n1	ZINC001603373654	1169300794	/nfs/dbraw/zinc/30/07/94/1169300794.db2.gz	GOTALJOPDYJCEG-UHFFFAOYSA-N	-1	0	306.322	0.971	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001603700117	1169363957	/nfs/dbraw/zinc/36/39/57/1169363957.db2.gz	LZHUNCABFZOIOF-PHIMTYICSA-N	-1	0	302.334	0.315	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1C	ZINC001603699972	1169364627	/nfs/dbraw/zinc/36/46/27/1169364627.db2.gz	ICUTWBJDPQCUHB-VXGBXAGGSA-N	-1	0	316.361	0.775	20	30		DCEDRM
C[C@](CO)(NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC001604198114	1169521368	/nfs/dbraw/zinc/52/13/68/1169521368.db2.gz	BCAHACOHERTATL-LLVKDONJSA-N	-1	0	318.738	0.326	20	30		DCEDRM
CCOC[C@@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001604425885	1169590408	/nfs/dbraw/zinc/59/04/08/1169590408.db2.gz	JTWZMNDTDTWGDY-SECBINFHSA-N	-1	0	300.326	0.391	20	30		DCEDRM
C[C@H](OC(=O)c1cccc(C(=O)[O-])n1)C(=O)NC1(C#N)CCC1	ZINC001604418824	1169591027	/nfs/dbraw/zinc/59/10/27/1169591027.db2.gz	VXLLRVKCMFRKRV-VIFPVBQESA-N	-1	0	317.301	0.888	20	30		DCEDRM
C[C@H]1CN(Cc2noc(CCCC(=O)[O-])n2)C[C@H](C)N1CC#N	ZINC001604802263	1169690877	/nfs/dbraw/zinc/69/08/77/1169690877.db2.gz	XSCDCTWHPOTULK-RYUDHWBXSA-N	-1	0	321.381	0.895	20	30		DCEDRM
CO[C@](C)(CNc1cnc(C#N)c(-c2nnn[n-]2)n1)C1CC1	ZINC001604997840	1169775230	/nfs/dbraw/zinc/77/52/30/1169775230.db2.gz	JSDWNFXKMOLHKA-CYBMUJFWSA-N	-1	0	300.326	0.755	20	30		DCEDRM
CCCC(=O)N1CCC[C@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001605188325	1169861335	/nfs/dbraw/zinc/86/13/35/1169861335.db2.gz	NITAXWIVNUFADV-LBPRGKRZSA-N	-1	0	321.377	0.994	20	30		DCEDRM
Cc1ccc(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cn1	ZINC001605838853	1170009670	/nfs/dbraw/zinc/00/96/70/1170009670.db2.gz	URLNHRUGQSFFPO-UHFFFAOYSA-N	-1	0	309.293	0.346	20	30		DCEDRM
CN(C(=O)COC(=O)c1ccc(C(=O)[O-])n1C)C(C)(C)C#N	ZINC001605965668	1170039459	/nfs/dbraw/zinc/03/94/59/1170039459.db2.gz	LZGFZXKDIYOCIF-UHFFFAOYSA-N	-1	0	307.306	0.641	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N(C)Cc1ccc(C(=O)[O-])cn1	ZINC001606105738	1170077699	/nfs/dbraw/zinc/07/76/99/1170077699.db2.gz	JVLHORBTJBNQBD-UHFFFAOYSA-N	-1	0	312.351	0.302	20	30		DCEDRM
Cc1noc(C)c1C(=O)Cn1c(C)nc(-c2nnn[n-]2)c1C#N	ZINC001606128819	1170086052	/nfs/dbraw/zinc/08/60/52/1170086052.db2.gz	QYYQGQHNBASBHK-UHFFFAOYSA-N	-1	0	312.293	0.731	20	30		DCEDRM
N#CC1(CNS(=O)(=O)c2cncc(-c3nn[nH]n3)c2)CCC1	ZINC001606342904	1170164023	/nfs/dbraw/zinc/16/40/23/1170164023.db2.gz	HLDOOLTXECSOEL-UHFFFAOYSA-N	-1	0	319.350	0.234	20	30		DCEDRM
N#Cc1ncc(N2CC[C@H](n3cccn3)C2)nc1-c1nnn[n-]1	ZINC001606397218	1170183956	/nfs/dbraw/zinc/18/39/56/1170183956.db2.gz	LEFRYZIWXKZOSE-VIFPVBQESA-N	-1	0	308.309	0.176	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2sccc2CC#N)C[C@@H]1C(=O)[O-]	ZINC001606427639	1170197418	/nfs/dbraw/zinc/19/74/18/1170197418.db2.gz	YRHLSCRRNXQWNJ-VHSXEESVSA-N	-1	0	322.342	0.760	20	30		DCEDRM
COC(=O)CCNC(=O)CCNc1ccc(C(=O)[O-])nc1C#N	ZINC001606455696	1170212256	/nfs/dbraw/zinc/21/22/56/1170212256.db2.gz	ZFITWJKWIMOXNR-UHFFFAOYSA-N	-1	0	320.305	0.133	20	30		DCEDRM
COC(=O)c1cncc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)c1	ZINC001606629747	1170248081	/nfs/dbraw/zinc/24/80/81/1170248081.db2.gz	QCSQJRPMCAOKLZ-UHFFFAOYSA-N	-1	0	313.269	0.648	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)Cc1ccc(C#N)nc1	ZINC001606829010	1170304621	/nfs/dbraw/zinc/30/46/21/1170304621.db2.gz	FMUCANYMBYSIMA-HNNXBMFYSA-N	-1	0	303.318	0.588	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C[C@H]1CC(=O)[O-]	ZINC001607429241	1170450616	/nfs/dbraw/zinc/45/06/16/1170450616.db2.gz	YPVLKFOTYXLMSM-UEKVPHQBSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)Nc2sccc2C#N)C[C@@H](C(=O)[O-])O1	ZINC001607466826	1170460529	/nfs/dbraw/zinc/46/05/29/1170460529.db2.gz	FPZNFSLHDHWDJU-CBAPKCEASA-N	-1	0	323.330	0.259	20	30		DCEDRM
Cc1cc(C(=O)N[C@H](CO)C(=O)[O-])nn1-c1cccc(C#N)c1	ZINC001607576431	1170478717	/nfs/dbraw/zinc/47/87/17/1170478717.db2.gz	RWQDOKOMIDWSHN-CYBMUJFWSA-N	-1	0	314.301	0.228	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])ccc1C#N	ZINC001607704376	1170497905	/nfs/dbraw/zinc/49/79/05/1170497905.db2.gz	UVGOBXAIPFIINA-OLZOCXBDSA-N	-1	0	324.358	0.465	20	30		DCEDRM
Cn1c(CC#N)nnc1S[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001608087188	1170566471	/nfs/dbraw/zinc/56/64/71/1170566471.db2.gz	KCEMUOCUVNSNPG-VIFPVBQESA-N	-1	0	323.378	0.439	20	30		DCEDRM
N#CC1(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)CCSCC1	ZINC001608172511	1170609305	/nfs/dbraw/zinc/60/93/05/1170609305.db2.gz	XKSVJMHEHQJWHB-WDEREUQCSA-N	-1	0	312.391	0.877	20	30		DCEDRM
N#CC1(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)CCSCC1	ZINC001608172508	1170609335	/nfs/dbraw/zinc/60/93/35/1170609335.db2.gz	XKSVJMHEHQJWHB-MNOVXSKESA-N	-1	0	312.391	0.877	20	30		DCEDRM
N#CC[C@H](NC(=O)NC[C@@]1(C(=O)[O-])CCOC1)C(F)(F)F	ZINC001608178959	1170610110	/nfs/dbraw/zinc/61/01/10/1170610110.db2.gz	UAZZQRGJMIPKDP-XVKPBYJWSA-N	-1	0	309.244	0.621	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccnn1CC1CCC1	ZINC001608183919	1170611290	/nfs/dbraw/zinc/61/12/90/1170611290.db2.gz	NKRKWWINJDBUBV-UHFFFAOYSA-N	-1	0	312.351	0.282	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(c2ccccc2)C1=O	ZINC001608184313	1170611537	/nfs/dbraw/zinc/61/15/37/1170611537.db2.gz	WREBPHPWNXYXSX-CYBMUJFWSA-N	-1	0	315.329	0.866	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@H]1CCC2(CCOCC2)CO1	ZINC001608183790	1170611822	/nfs/dbraw/zinc/61/18/22/1170611822.db2.gz	JPXUUAGMUVTWOS-GFCCVEGCSA-N	-1	0	310.350	0.789	20	30		DCEDRM
N#CCSCC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-]	ZINC001608186943	1170612799	/nfs/dbraw/zinc/61/27/99/1170612799.db2.gz	GYOWDEJAQCWLRZ-LBPRGKRZSA-N	-1	0	306.343	0.987	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cc1O	ZINC001608199086	1170613673	/nfs/dbraw/zinc/61/36/73/1170613673.db2.gz	QYKLODXJMQYXMF-OAHLLOKOSA-N	-1	0	315.285	0.709	20	30		DCEDRM
N#Cc1c(NCCC(=O)NCCC(=O)[O-])nc2ccccn21	ZINC001608194955	1170613739	/nfs/dbraw/zinc/61/37/39/1170613739.db2.gz	AJSKIMROIQEFCT-UHFFFAOYSA-N	-1	0	301.306	0.599	20	30		DCEDRM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CF)C(=O)[O-]	ZINC001608195230	1170614042	/nfs/dbraw/zinc/61/40/42/1170614042.db2.gz	JGJUBULKLVOFTJ-ZETCQYMHSA-N	-1	0	317.254	0.167	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])cn1	ZINC001608200104	1170614047	/nfs/dbraw/zinc/61/40/47/1170614047.db2.gz	CMFVIJTUYMEEPZ-NSHDSACASA-N	-1	0	302.315	0.835	20	30		DCEDRM
N#Cc1ccc(Cn2cc(CN3CCC[C@H]3C(=O)[O-])nn2)nc1	ZINC001608206579	1170614617	/nfs/dbraw/zinc/61/46/17/1170614617.db2.gz	IIGXQWSQCHGMAY-AWEZNQCLSA-N	-1	0	312.333	0.642	20	30		DCEDRM
N#Cc1ccc(N2CCN(c3ccnc(C(=O)[O-])n3)CC2)nc1	ZINC001608206173	1170615417	/nfs/dbraw/zinc/61/54/17/1170615417.db2.gz	RGFNKSRJHGJRPG-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC2CCOCC2)c(C(=O)[O-])c1	ZINC001608210759	1170615667	/nfs/dbraw/zinc/61/56/67/1170615667.db2.gz	SFCNEPMUYLPJTK-UHFFFAOYSA-N	-1	0	310.331	0.714	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)nc1	ZINC001608208847	1170615981	/nfs/dbraw/zinc/61/59/81/1170615981.db2.gz	QIAAUXKVPPKMAF-GFCCVEGCSA-N	-1	0	315.333	0.838	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H](O)C2CC2)c(C(=O)[O-])c1	ZINC001608212225	1170615992	/nfs/dbraw/zinc/61/59/92/1170615992.db2.gz	XHWZHHSNPMLQLI-LLVKDONJSA-N	-1	0	310.331	0.306	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)N[C@H]2CC=C(C(=O)[O-])C2)nc1	ZINC001608208848	1170616206	/nfs/dbraw/zinc/61/62/06/1170616206.db2.gz	QIAAUXKVPPKMAF-LBPRGKRZSA-N	-1	0	315.333	0.838	20	30		DCEDRM
N#Cc1cccc(OCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c1	ZINC001608218309	1170617255	/nfs/dbraw/zinc/61/72/55/1170617255.db2.gz	LWCWKNCDZRCKBO-BXUZGUMPSA-N	-1	0	304.302	0.543	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCSC[C@@H]2C(=O)[O-])c1	ZINC001608218441	1170617602	/nfs/dbraw/zinc/61/76/02/1170617602.db2.gz	OXYLHQAECMOKLP-GFCCVEGCSA-N	-1	0	306.343	0.966	20	30		DCEDRM
N#Cc1ncc(N(CCC(=O)[O-])C[C@H]2CCCO2)nc1C#N	ZINC001608224928	1170619321	/nfs/dbraw/zinc/61/93/21/1170619321.db2.gz	AKQQPTWOVZFYLZ-SNVBAGLBSA-N	-1	0	301.306	0.680	20	30		DCEDRM
N#Cc1ncn(CC(=O)N(CCc2ccccc2)CC(=O)[O-])n1	ZINC001608225157	1170619660	/nfs/dbraw/zinc/61/96/60/1170619660.db2.gz	HXWGKLBNHCGGND-UHFFFAOYSA-N	-1	0	313.317	0.306	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCN(c2nccnn2)CC1	ZINC001608224521	1170619823	/nfs/dbraw/zinc/61/98/23/1170619823.db2.gz	YWQBANHYJAMRCW-UHFFFAOYSA-N	-1	0	311.305	0.163	20	30		DCEDRM
O=C([O-])CC1(COC(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC001608680767	1170735642	/nfs/dbraw/zinc/73/56/42/1170735642.db2.gz	REWZYVXRSDSAAJ-YPKPFQOOSA-N	-1	0	322.317	0.701	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1	ZINC001609019328	1170785444	/nfs/dbraw/zinc/78/54/44/1170785444.db2.gz	RIWZTCOQIQJFDO-MRVPVSSYSA-N	-1	0	316.296	0.424	20	30		DCEDRM
C#C[C@H](C)NC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1	ZINC001609054311	1170793322	/nfs/dbraw/zinc/79/33/22/1170793322.db2.gz	GHBMTCYZVGXNSI-QMMMGPOBSA-N	-1	0	310.331	0.932	20	30		DCEDRM
C[C@H](C(=O)N(C)c1cccc(C#N)c1)n1cnc(-c2nnn[n-]2)n1	ZINC001609067684	1170797290	/nfs/dbraw/zinc/79/72/90/1170797290.db2.gz	CDDKPJLWFFVZDP-SECBINFHSA-N	-1	0	323.320	0.554	20	30		DCEDRM
C#CCCS(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001609137197	1170822893	/nfs/dbraw/zinc/82/28/93/1170822893.db2.gz	DSQGCBJSENNYTG-UHFFFAOYSA-N	-1	0	300.336	0.035	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC001609152721	1170829902	/nfs/dbraw/zinc/82/99/02/1170829902.db2.gz	BLQQNXXVTXDKSM-UHFFFAOYSA-N	-1	0	323.308	0.900	20	30		DCEDRM
C#CCNC(=O)CN[C@@H](C(=O)[O-])c1ccc(OC)cc1OC	ZINC001609159124	1170834876	/nfs/dbraw/zinc/83/48/76/1170834876.db2.gz	WGBFSMOJSHJBRN-CQSZACIVSA-N	-1	0	306.318	0.169	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001609189966	1170857008	/nfs/dbraw/zinc/85/70/08/1170857008.db2.gz	OEYKNEMZHGWMKQ-AWEZNQCLSA-N	-1	0	314.341	0.402	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001609226717	1170876661	/nfs/dbraw/zinc/87/66/61/1170876661.db2.gz	VICUWKCSZVUCGQ-CMPLNLGQSA-N	-1	0	323.353	0.257	20	30		DCEDRM
C=C(CO)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1	ZINC001609259568	1170899960	/nfs/dbraw/zinc/89/99/60/1170899960.db2.gz	ZJJSDZBUAKUSMY-NSHDSACASA-N	-1	0	309.318	0.884	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001609379564	1170957822	/nfs/dbraw/zinc/95/78/22/1170957822.db2.gz	ORVRFZGOZBLGEQ-VIFPVBQESA-N	-1	0	323.320	0.838	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C[C@H]1COc2ccccc2O1)C(=O)[O-]	ZINC001609432306	1170974301	/nfs/dbraw/zinc/97/43/01/1170974301.db2.gz	NGTGCZJMAXACBN-RYUDHWBXSA-N	-1	0	321.329	0.989	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(N2CCCC2)nn1)C(=O)[O-]	ZINC001609442824	1170978113	/nfs/dbraw/zinc/97/81/13/1170978113.db2.gz	GZAUSGNGQAHRAA-LBPRGKRZSA-N	-1	0	320.349	0.462	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCC(C)(C)N2CCOCC2)o1	ZINC001609446287	1170980546	/nfs/dbraw/zinc/98/05/46/1170980546.db2.gz	VKLPMGCQKZZCTM-UHFFFAOYSA-N	-1	0	320.357	0.672	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cncc(F)c1)C(=O)[O-]	ZINC001609452284	1170983346	/nfs/dbraw/zinc/98/33/46/1170983346.db2.gz	FOHLCUDWHWHAKZ-SNVBAGLBSA-N	-1	0	304.299	0.155	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)c1cncc(C(=O)[O-])c1)C1CC1	ZINC001609631326	1171055895	/nfs/dbraw/zinc/05/58/95/1171055895.db2.gz	XUYKVVLXASACFO-OAHLLOKOSA-N	-1	0	317.301	0.745	20	30		DCEDRM
C[C@H](C(=O)NC(C)(C)c1nocc1C(=O)[O-])n1cnc(C#N)n1	ZINC001609634192	1171056448	/nfs/dbraw/zinc/05/64/48/1171056448.db2.gz	BONIHTXOJJCQLQ-SSDOTTSWSA-N	-1	0	318.293	0.448	20	30		DCEDRM
C[C@H](NC(=O)N1CC[C@@](O)(CC#N)C1)c1ncc(C(=O)[O-])s1	ZINC001609762392	1171081225	/nfs/dbraw/zinc/08/12/25/1171081225.db2.gz	KKZMXSIFJFUMJO-SDBXPKJASA-N	-1	0	324.362	0.962	20	30		DCEDRM
CC[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001609920332	1171121465	/nfs/dbraw/zinc/12/14/65/1171121465.db2.gz	FEJCBHMXOSOVEG-MMZVIXLHSA-N	-1	0	309.322	0.130	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2ccccc2CC(=O)[O-])c1=O	ZINC001610087212	1171152988	/nfs/dbraw/zinc/15/29/88/1171152988.db2.gz	ZCXVKQDDMXFJCK-UHFFFAOYSA-N	-1	0	313.313	0.577	20	30		DCEDRM
COCCN1CN(Cc2cccc(C(=O)[O-])c2C#N)CC1=O	ZINC001610261996	1171213229	/nfs/dbraw/zinc/21/32/29/1171213229.db2.gz	SSQZOUSCAXHHML-UHFFFAOYSA-N	-1	0	303.318	0.505	20	30		DCEDRM
Cc1cc(C#N)c(=O)n(CC(=O)NC2(C(=O)[O-])CCCCC2)c1	ZINC001610432998	1171235090	/nfs/dbraw/zinc/23/50/90/1171235090.db2.gz	RLMKIJRIVUJGKT-UHFFFAOYSA-N	-1	0	317.345	0.932	20	30		DCEDRM
Cc1cc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)ccc1C(=O)[O-]	ZINC001610476725	1171240891	/nfs/dbraw/zinc/24/08/91/1171240891.db2.gz	FJPQFZZSYAJUFC-AWEZNQCLSA-N	-1	0	324.358	0.996	20	30		DCEDRM
N#CC1(CC(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1	ZINC001610620133	1171270270	/nfs/dbraw/zinc/27/02/70/1171270270.db2.gz	XWTNRDVIGNSVIY-JTQLQIEISA-N	-1	0	303.322	0.834	20	30		DCEDRM
N#C[C@]1(F)CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1	ZINC001610620660	1171270355	/nfs/dbraw/zinc/27/03/55/1171270355.db2.gz	RMCXKUNBOWFQCC-SECBINFHSA-N	-1	0	305.312	0.468	20	30		DCEDRM
N#CCN1CCC(NC(=O)Nc2cccc(CC(=O)[O-])n2)CC1	ZINC001610623389	1171271316	/nfs/dbraw/zinc/27/13/16/1171271316.db2.gz	ZCMYMZJHYNSTSB-UHFFFAOYSA-N	-1	0	317.349	0.818	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC2CC2)cc1	ZINC001610622569	1171271657	/nfs/dbraw/zinc/27/16/57/1171271657.db2.gz	AIVUHIJBOZKRSV-UHFFFAOYSA-N	-1	0	310.331	0.827	20	30		DCEDRM
N#Cc1ccc(COC(=O)Cn2cc(C(=O)[O-])nn2)cc1F	ZINC001610627240	1171272263	/nfs/dbraw/zinc/27/22/63/1171272263.db2.gz	RJPKCOZIPRXDMQ-UHFFFAOYSA-N	-1	0	304.237	0.730	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1	ZINC001610631183	1171272907	/nfs/dbraw/zinc/27/29/07/1171272907.db2.gz	QWSJJSSJDGAPCD-CQSZACIVSA-N	-1	0	305.265	0.522	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cc1	ZINC001610627476	1171272964	/nfs/dbraw/zinc/27/29/64/1171272964.db2.gz	IOBCMDDFOURBLU-AVGNSLFASA-N	-1	0	304.302	0.028	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)cc1	ZINC001610628082	1171273028	/nfs/dbraw/zinc/27/30/28/1171273028.db2.gz	YRUSJMAJPHMQFW-DZGCQCFKSA-N	-1	0	304.302	0.342	20	30		DCEDRM
N#Cc1ncccc1OS(=O)(=O)c1scnc1C(=O)[O-]	ZINC001610633895	1171273508	/nfs/dbraw/zinc/27/35/08/1171273508.db2.gz	DECOEQXWGVQAHL-UHFFFAOYSA-N	-1	0	311.300	0.876	20	30		DCEDRM
N#Cc1ccccc1OCCOC(=O)Cn1cc(C(=O)[O-])nn1	ZINC001610633000	1171274109	/nfs/dbraw/zinc/27/41/09/1171274109.db2.gz	QKDRXMKAFSWOJW-UHFFFAOYSA-N	-1	0	316.273	0.470	20	30		DCEDRM
N#Cc1ncn(-c2ccccc2NS(=O)(=O)CCC(=O)[O-])n1	ZINC001610636216	1171274652	/nfs/dbraw/zinc/27/46/52/1171274652.db2.gz	JFHCKJNAZVVFCA-UHFFFAOYSA-N	-1	0	321.318	0.355	20	30		DCEDRM
COCCO[C@@H]1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001616505878	1171378551	/nfs/dbraw/zinc/37/85/51/1171378551.db2.gz	VOWQAQLLGKQVOE-GFCCVEGCSA-N	-1	0	305.334	0.845	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCC[C@@H]2CCOC2)c(=O)[n-]c1=O	ZINC001624226745	1171451291	/nfs/dbraw/zinc/45/12/91/1171451291.db2.gz	KIMNOCMYRJMTBH-LLVKDONJSA-N	-1	0	320.349	0.144	20	30		DCEDRM
C#C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC001627414749	1171504571	/nfs/dbraw/zinc/50/45/71/1171504571.db2.gz	SEBQFXJQXCUHKQ-ZDUSSCGKSA-N	-1	0	308.297	0.311	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)[N-]N1C(=O)[C@H](C)N(C)C1=O	ZINC001633414150	1171641188	/nfs/dbraw/zinc/64/11/88/1171641188.db2.gz	FWGCRDNLGKJNJJ-QMMMGPOBSA-N	-1	0	302.290	0.494	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cccc3cc[nH]c32)c(=O)[n-]c1=O	ZINC001641033406	1171903165	/nfs/dbraw/zinc/90/31/65/1171903165.db2.gz	ALSDTTKFHZYZTF-UHFFFAOYSA-N	-1	0	323.312	0.732	20	30		DCEDRM
CC(=CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccco1	ZINC001641034298	1171904140	/nfs/dbraw/zinc/90/41/40/1171904140.db2.gz	YRACIWNFZPYUBB-JXMROGBWSA-N	-1	0	314.301	0.633	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2ccn(-c3ccccc3F)n2)c1=O	ZINC001641220374	1171908392	/nfs/dbraw/zinc/90/83/92/1171908392.db2.gz	SVKZXQFJMBFEIY-UHFFFAOYSA-N	-1	0	311.276	0.781	20	30		DCEDRM
CC(C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)=C1CCCC1	ZINC001641967684	1171935463	/nfs/dbraw/zinc/93/54/63/1171935463.db2.gz	GINAWCWYEAZGCC-UHFFFAOYSA-N	-1	0	302.334	0.827	20	30		DCEDRM
C[C@@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)Oc1ccccc1F	ZINC001646631035	1172448886	/nfs/dbraw/zinc/44/88/86/1172448886.db2.gz	CGGVJRHXIKZHAD-VIFPVBQESA-N	-1	0	318.308	0.964	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@H](C[C@@H]3CCOC3)C2)c(C#N)c1=O	ZINC001650226921	1173524585	/nfs/dbraw/zinc/52/45/85/1173524585.db2.gz	HLROEBWPQCPQPF-NEPJUHHUSA-N	-1	0	318.377	0.588	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2cnn(Cc3cccnc3)c2)c(C#N)c1=O	ZINC001650715818	1173730684	/nfs/dbraw/zinc/73/06/84/1173730684.db2.gz	ALEONDUYJGXSKZ-UHFFFAOYSA-N	-1	0	323.316	0.329	20	30		DCEDRM
C#CC1(F)CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1	ZINC001651092332	1173739988	/nfs/dbraw/zinc/73/99/88/1173739988.db2.gz	MZVUDXUPWGIJFK-UHFFFAOYSA-N	-1	0	302.265	0.064	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CCOc2ccccc2[N+](=O)[O-])c1=O	ZINC001652053205	1173761717	/nfs/dbraw/zinc/76/17/17/1173761717.db2.gz	KTWFUPIZHLPIQB-UHFFFAOYSA-N	-1	0	302.246	0.395	20	30		DCEDRM
C#CCCS(=O)(=O)N[C@H](c1cnn(C)c1)c1noc(C)n1	ZINC001655462170	1173820218	/nfs/dbraw/zinc/82/02/18/1173820218.db2.gz	VNRUUOUJLIVYAU-LLVKDONJSA-N	-1	0	309.351	0.144	20	30		DCEDRM
C=CCCOCC(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001671443207	1175012142	/nfs/dbraw/zinc/01/21/42/1175012142.db2.gz	RXJWVZCRLUUEJY-UHFFFAOYSA-N	-1	0	323.397	0.574	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001673059276	1175171296	/nfs/dbraw/zinc/17/12/96/1175171296.db2.gz	LQMBTRGSJPFYMG-IAQYHMDHSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=CCCOCC(=O)N1CCC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001690826647	1177333496	/nfs/dbraw/zinc/33/34/96/1177333496.db2.gz	LOBXOZJQUJSPJC-LBPRGKRZSA-N	-1	0	323.397	0.526	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1CC	ZINC001691954496	1177390387	/nfs/dbraw/zinc/39/03/87/1177390387.db2.gz	KYPXDQCARTUIJA-WDEREUQCSA-N	-1	0	309.370	0.182	20	30		DCEDRM
CCN(CCNCC#N)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001699219247	1177951856	/nfs/dbraw/zinc/95/18/56/1177951856.db2.gz	NSXXNDPHUUSTQP-UHFFFAOYSA-N	-1	0	308.304	0.405	20	30		DCEDRM
C=CCOCC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001704081741	1179883658	/nfs/dbraw/zinc/88/36/58/1179883658.db2.gz	XVXZGFXHBSWJRY-NSHDSACASA-N	-1	0	322.365	0.205	20	30		DCEDRM
C#CCN(C(=O)c1n[nH]c(C)c1[O-])C1CCN(C(C)=O)CC1	ZINC001705360651	1180361591	/nfs/dbraw/zinc/36/15/91/1180361591.db2.gz	IHYFDFNFYIOTHF-UHFFFAOYSA-N	-1	0	304.350	0.510	20	30		DCEDRM
N#CCN(CCO)C1CCN(C(=O)c2ccccc2O)CC1	ZINC001707279221	1180454794	/nfs/dbraw/zinc/45/47/94/1180454794.db2.gz	DJKZCMWJZMFITK-UHFFFAOYSA-N	-1	0	303.362	0.815	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001713250468	1180737122	/nfs/dbraw/zinc/73/71/22/1180737122.db2.gz	LRZWVFCUEXQGMU-LBPRGKRZSA-N	-1	0	305.382	0.785	20	30		DCEDRM
O=C(CC#Cc1ccccc1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001713874042	1181124096	/nfs/dbraw/zinc/12/40/96/1181124096.db2.gz	BYJJXCVFPBCPAN-UHFFFAOYSA-N	-1	0	311.345	0.253	20	30		DCEDRM
C=CCOCC(=O)N[C@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001721008490	1183797514	/nfs/dbraw/zinc/79/75/14/1183797514.db2.gz	BNJGRGFPESHLDY-SECBINFHSA-N	-1	0	310.354	0.251	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001723404998	1184296119	/nfs/dbraw/zinc/29/61/19/1184296119.db2.gz	ASBZXANCPDZJCC-GHMZBOCLSA-N	-1	0	309.370	0.182	20	30		DCEDRM
O=C(C#CC1CC1)N[C@@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001725586939	1184899890	/nfs/dbraw/zinc/89/98/90/1184899890.db2.gz	ASIROAUVKLZODY-MLGOLLRUSA-N	-1	0	315.377	0.537	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001725618209	1184914720	/nfs/dbraw/zinc/91/47/20/1184914720.db2.gz	DUDQCWSCNFJIDM-VXGBXAGGSA-N	-1	0	321.381	0.019	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001725963911	1185058232	/nfs/dbraw/zinc/05/82/32/1185058232.db2.gz	MDWKBKZKZQUIEZ-BJOHPYRUSA-N	-1	0	324.381	0.328	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001733056872	1186120861	/nfs/dbraw/zinc/12/08/61/1186120861.db2.gz	KUDFOVDVQVMGAD-GVXVVHGQSA-N	-1	0	323.397	0.428	20	30		DCEDRM
C=C(C)CCC(=O)N(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001735203303	1186822548	/nfs/dbraw/zinc/82/25/48/1186822548.db2.gz	ZSBZKFWDZAGKND-VIFPVBQESA-N	-1	0	323.353	0.216	20	30		DCEDRM
C=CCCCC(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001737457478	1187339921	/nfs/dbraw/zinc/33/99/21/1187339921.db2.gz	UOJXZPNUGAUTCC-KYZUINATSA-N	-1	0	321.337	0.016	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C12CCC2	ZINC001739473910	1187803340	/nfs/dbraw/zinc/80/33/40/1187803340.db2.gz	MOKCXHFSMAYBID-STQMWFEESA-N	-1	0	315.377	0.621	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2(CNC(=O)C#CC3CC3)CC2)c1[O-]	ZINC001747782193	1188300877	/nfs/dbraw/zinc/30/08/77/1188300877.db2.gz	FHEWYSPTOLEEFS-UHFFFAOYSA-N	-1	0	302.334	0.216	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](CNC(=O)C#CC(C)C)C2CC2)c1[O-]	ZINC001758609845	1189937993	/nfs/dbraw/zinc/93/79/93/1189937993.db2.gz	OBZFRVLKAXYDMJ-LBPRGKRZSA-N	-1	0	318.377	0.708	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](NC(=O)c1cn[nH]n1)C1CC1	ZINC001758635161	1189944561	/nfs/dbraw/zinc/94/45/61/1189944561.db2.gz	ABAWWJJILNOPNT-MDZLAQPJSA-N	-1	0	319.365	0.020	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](CNC(=O)C#CC(C)C)C(C)C)c1[O-]	ZINC001759511463	1190199080	/nfs/dbraw/zinc/19/90/80/1190199080.db2.gz	SAACORWAWQXJPC-LBPRGKRZSA-N	-1	0	320.393	0.954	20	30		DCEDRM
N#Cc1ccc(N2CCC(NC(=O)c3n[nH]c(=O)[n-]3)CC2)nc1	ZINC001771597141	1190433779	/nfs/dbraw/zinc/43/37/79/1190433779.db2.gz	LQZGQZPHCRDDBB-UHFFFAOYSA-N	-1	0	313.321	0.176	20	30		DCEDRM
C[C@@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC2(CCCCC2)O1	ZINC001772121008	1190611684	/nfs/dbraw/zinc/61/16/84/1190611684.db2.gz	UKOZDLDMFTXOOM-LLVKDONJSA-N	-1	0	318.377	0.873	20	30		DCEDRM
COC1(OC)CCOC[C@H]1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001167440894	747214453	/nfs/dbraw/zinc/21/44/53/747214453.db2.gz	WSSDOGIIEVLYPG-LLVKDONJSA-N	-1	0	321.333	0.475	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](CCNC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001059478538	749226893	/nfs/dbraw/zinc/22/68/93/749226893.db2.gz	SOACGTWXFUCGNU-MWLCHTKSSA-N	-1	0	319.365	0.552	20	30		DCEDRM
C=C(Cl)CN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C	ZINC001088708267	749936999	/nfs/dbraw/zinc/93/69/99/749936999.db2.gz	NFYWRELXOBOXAB-SFYZADRCSA-N	-1	0	313.745	0.228	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001071909446	762219023	/nfs/dbraw/zinc/21/90/23/762219023.db2.gz	LBOJGPGELKHJEN-ZYHUDNBSSA-N	-1	0	318.377	0.660	20	30		DCEDRM
C=CCCC(=O)N1CCOC[C@H]1CNC(=O)c1ncccc1O	ZINC001061523597	754011958	/nfs/dbraw/zinc/01/19/58/754011958.db2.gz	RQSGQWISDOSRFB-GFCCVEGCSA-N	-1	0	319.361	0.711	20	30		DCEDRM
C#Cc1ccc(C(=O)NCC2(NC(=O)c3cn[nH]n3)CCC2)cn1	ZINC001063835085	755270247	/nfs/dbraw/zinc/27/02/47/755270247.db2.gz	YXJDYHNEEKKDSB-UHFFFAOYSA-N	-1	0	324.344	0.264	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2ccc(C#N)nn2)c1[O-]	ZINC001097803432	755749434	/nfs/dbraw/zinc/74/94/34/755749434.db2.gz	GLVFQBRBWSDQKM-SSDOTTSWSA-N	-1	0	301.310	0.316	20	30		DCEDRM
N#CCN1CCC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001052774269	755802802	/nfs/dbraw/zinc/80/28/02/755802802.db2.gz	WZQAJFRHMOYESO-NSHDSACASA-N	-1	0	314.349	0.130	20	30		DCEDRM
C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])O2	ZINC001053589618	756107416	/nfs/dbraw/zinc/10/74/16/756107416.db2.gz	MRPQMMAFAYHEFR-LBPRGKRZSA-N	-1	0	320.393	0.963	20	30		DCEDRM
C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnc(C2CC2)[nH]c1=O	ZINC001080571364	756242145	/nfs/dbraw/zinc/24/21/45/756242145.db2.gz	MROZSHMENOHTRJ-BXKDBHETSA-N	-1	0	301.350	0.633	20	30		DCEDRM
N#CCN1CC[C@@H]2CN(C(=O)c3ccc4oc(=O)nc-4[n-]3)[C@@H]2C1	ZINC001084773171	758035914	/nfs/dbraw/zinc/03/59/14/758035914.db2.gz	FYTGYFFDFCVFFX-MWLCHTKSSA-N	-1	0	313.317	0.598	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1	ZINC001084906898	758116109	/nfs/dbraw/zinc/11/61/09/758116109.db2.gz	LSRJRKVZJQXWOU-MXWKQRLJSA-N	-1	0	304.354	0.093	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCOC1CCOCC1	ZINC001122714022	767861745	/nfs/dbraw/zinc/86/17/45/767861745.db2.gz	HHYXZYCNPDBDBT-LBPRGKRZSA-N	-1	0	305.334	0.897	20	30		DCEDRM
N#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)[O-])ccc1O	ZINC001148926240	768061654	/nfs/dbraw/zinc/06/16/54/768061654.db2.gz	KLNREBVDLJTJOS-MRVPVSSYSA-N	-1	0	312.303	0.003	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001132529486	764501116	/nfs/dbraw/zinc/50/11/16/764501116.db2.gz	NJRPQESGIWRQCS-NWDGAFQWSA-N	-1	0	323.397	0.572	20	30		DCEDRM
CC(C)C#CC(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001111736352	765373137	/nfs/dbraw/zinc/37/31/37/765373137.db2.gz	DYSMTPCDDYXTJJ-LRDDRELGSA-N	-1	0	317.393	0.640	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1	ZINC001116666135	765894668	/nfs/dbraw/zinc/89/46/68/765894668.db2.gz	CBYUBQZFWRWCGV-UHFFFAOYSA-N	-1	0	320.374	0.967	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)[N-]c2ccnc3ncnn32)cc1	ZINC001116761738	765907569	/nfs/dbraw/zinc/90/75/69/765907569.db2.gz	NPBBBAQSZCTPQL-UHFFFAOYSA-N	-1	0	314.330	0.991	20	30		DCEDRM
CSCCO[N-]C(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC001116898540	765925333	/nfs/dbraw/zinc/92/53/33/765925333.db2.gz	UEWNEIKCHKXDSF-UHFFFAOYSA-N	-1	0	311.367	0.455	20	30		DCEDRM
C=CC[C@@H](NC(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	ZINC001118400122	766309185	/nfs/dbraw/zinc/30/91/85/766309185.db2.gz	KNLPHAZXMBPBPA-LLVKDONJSA-N	-1	0	318.395	0.194	20	30		DCEDRM
C=CCc1ccc(OCC(=O)N(C)c2nnn[n-]2)c(OC)c1	ZINC001119429596	766677920	/nfs/dbraw/zinc/67/79/20/766677920.db2.gz	DGLMQUVPMMYFOC-UHFFFAOYSA-N	-1	0	303.322	0.979	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cnc(Cl)n1C	ZINC001119432110	766678984	/nfs/dbraw/zinc/67/89/84/766678984.db2.gz	QGPUBFBEJWFLAP-UHFFFAOYSA-N	-1	0	307.759	0.471	20	30		DCEDRM
C=CC[C@@H](NC(=O)NCC1(COC)CCOCC1)C(=O)[O-]	ZINC001119577670	766736643	/nfs/dbraw/zinc/73/66/43/766736643.db2.gz	LQTNILJYYIQMAC-LLVKDONJSA-N	-1	0	300.355	0.758	20	30		DCEDRM
COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCS)cc1	ZINC001143985403	766756859	/nfs/dbraw/zinc/75/68/59/766756859.db2.gz	LVCBFZMJMPCRNT-UHFFFAOYSA-N	-1	0	318.376	0.990	20	30		DCEDRM
C#CCN1CCN(C(=O)CCCn2ccc(C(=O)[O-])n2)CC1	ZINC001119648943	766761154	/nfs/dbraw/zinc/76/11/54/766761154.db2.gz	OQUQLZNMFHWRIH-UHFFFAOYSA-N	-1	0	304.350	0.139	20	30		DCEDRM
C=CC[C@@H](C)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001144027524	766769754	/nfs/dbraw/zinc/76/97/54/766769754.db2.gz	QNOYQQSMZFPKOE-PWSUYJOCSA-N	-1	0	322.365	0.240	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(CCC#N)CC1CC1	ZINC001121663169	767615849	/nfs/dbraw/zinc/61/58/49/767615849.db2.gz	LTXIAQRSVUFQCQ-UHFFFAOYSA-N	-1	0	313.365	0.818	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](COC)C1	ZINC001122513405	767821162	/nfs/dbraw/zinc/82/11/62/767821162.db2.gz	WSUSUFYWTQKFNC-LLVKDONJSA-N	-1	0	318.381	0.551	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc(O)cc2F)c(=O)[n-]c1=O	ZINC001137761855	768390833	/nfs/dbraw/zinc/39/08/33/768390833.db2.gz	FPKMMYCENGSBIL-UHFFFAOYSA-N	-1	0	304.237	0.304	20	30		DCEDRM
CC(C)(C)C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001142781816	768663644	/nfs/dbraw/zinc/66/36/44/768663644.db2.gz	PPJHGZPESBXKDC-QMMMGPOBSA-N	-1	0	314.344	0.575	20	30		DCEDRM
C=CCCC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1	ZINC001149362757	768740032	/nfs/dbraw/zinc/74/00/32/768740032.db2.gz	SQDFTIHFGXLBSP-NSHDSACASA-N	-1	0	309.370	0.184	20	30		DCEDRM
N#Cc1cccc2c1CN(Cc1cc(=O)n3[n-]c(N)nc3n1)C2	ZINC001171679118	769346021	/nfs/dbraw/zinc/34/60/21/769346021.db2.gz	WWYQYCAZOKJEMA-UHFFFAOYSA-N	-1	0	307.317	0.387	20	30		DCEDRM
N#Cc1nc(OC(=O)[C@H](O)CC(=O)[O-])ccc1Br	ZINC001234638887	769714782	/nfs/dbraw/zinc/71/47/82/769714782.db2.gz	OCEHFTJWJLZYPW-SSDOTTSWSA-N	-1	0	315.079	0.457	20	30		DCEDRM
N#Cc1c(N)nc(=NC2CC2)n(-c2c(F)cc([O-])cc2F)c1N	ZINC001175095517	769867121	/nfs/dbraw/zinc/86/71/21/769867121.db2.gz	HZUJQOIVOCLYRI-UHFFFAOYSA-N	-1	0	318.287	0.955	20	30		DCEDRM
C#Cc1cnc(NC(=O)c2ccn(C)c2CC(=O)[O-])c(C#C)n1	ZINC001177363173	770429622	/nfs/dbraw/zinc/42/96/22/770429622.db2.gz	FYOYGKMINICAGS-UHFFFAOYSA-N	-1	0	308.297	0.657	20	30		DCEDRM
Cn1ccc(C(=O)N2CCN(CCC#N)CC2)c1CC(=O)[O-]	ZINC001177364496	770431022	/nfs/dbraw/zinc/43/10/22/770431022.db2.gz	BBVHCTIEOPOQCQ-UHFFFAOYSA-N	-1	0	304.350	0.324	20	30		DCEDRM
CCOC(=O)c1cc(C#N)c(Cl)nc1N[C@@H]1CO[N-]C1=O	ZINC001156691913	770897411	/nfs/dbraw/zinc/89/74/11/770897411.db2.gz	ZYPPDJNWLDYMAV-MRVPVSSYSA-N	-1	0	310.697	0.625	20	30		DCEDRM
COc1ccc(C(=NO)Nc2nccnc2CC(=O)[O-])nc1	ZINC001158666676	771806137	/nfs/dbraw/zinc/80/61/37/771806137.db2.gz	MWIPHLZCCAZCPC-UHFFFAOYSA-N	-1	0	303.278	0.755	20	30		DCEDRM
C=CCCc1ccc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)c(=O)[nH]1	ZINC001185362894	771905288	/nfs/dbraw/zinc/90/52/88/771905288.db2.gz	PKVMNTVDERAIEL-GFCCVEGCSA-N	-1	0	307.331	0.945	20	30		DCEDRM
CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ncc(F)cc1F)C(=O)NO	ZINC001190218191	772609070	/nfs/dbraw/zinc/60/90/70/772609070.db2.gz	JIKWKIFOLXNKMW-RCOVLWMOSA-N	-1	0	323.321	0.558	20	30		DCEDRM
C=CCC1(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)CC1	ZINC001190824755	772682067	/nfs/dbraw/zinc/68/20/67/772682067.db2.gz	SIYPMAKNCJQTCH-VIFPVBQESA-N	-1	0	305.352	0.421	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)c1nc[n-]c(=O)c1Br	ZINC001164671792	772690558	/nfs/dbraw/zinc/69/05/58/772690558.db2.gz	HISLELLOAPHTPY-ZETCQYMHSA-N	-1	0	314.139	0.449	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1cn2cc(Br)ncc2n1	ZINC001192943867	772976645	/nfs/dbraw/zinc/97/66/45/772976645.db2.gz	WDCBPTQNIINVAQ-UHFFFAOYSA-N	-1	0	316.140	0.757	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1nc(N(C)C)[nH]c(=O)c1N=O	ZINC001193106570	773006104	/nfs/dbraw/zinc/00/61/04/773006104.db2.gz	HDZPHPKRPHLVJZ-RXMQYKEDSA-N	-1	0	300.300	0.300	20	30		DCEDRM
N#Cc1cc(C(=O)NCC(=O)NCC(F)(F)F)ccc1[O-]	ZINC001193519383	773077460	/nfs/dbraw/zinc/07/74/60/773077460.db2.gz	XJBPRHCDQJWYMW-UHFFFAOYSA-N	-1	0	301.224	0.672	20	30		DCEDRM
N#Cc1cccc(C(=O)NCCC(=O)N2CCOCC2)c1[O-]	ZINC001193635691	773093056	/nfs/dbraw/zinc/09/30/56/773093056.db2.gz	YNJVNVYGEZUZMP-UHFFFAOYSA-N	-1	0	303.318	0.243	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CCC3(CC2)COCC(=O)N3)c1[O-]	ZINC001193642555	773093571	/nfs/dbraw/zinc/09/35/71/773093571.db2.gz	IXQUYKBCQVQXAW-UHFFFAOYSA-N	-1	0	315.329	0.385	20	30		DCEDRM
CCOC(=O)[C@H]1CN(C(=O)c2cccc(C#N)c2[O-])CCO1	ZINC001193644052	773093726	/nfs/dbraw/zinc/09/37/26/773093726.db2.gz	NITLJESHSNGRLA-GFCCVEGCSA-N	-1	0	304.302	0.668	20	30		DCEDRM
CC#CCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001208374758	773446442	/nfs/dbraw/zinc/44/64/42/773446442.db2.gz	WAIAIHQLZGTCFX-VXGBXAGGSA-N	-1	0	305.382	0.640	20	30		DCEDRM
N#Cc1ccc(C(=O)NCCC(=O)N2CCOCC2)c([O-])c1	ZINC001195733875	773463041	/nfs/dbraw/zinc/46/30/41/773463041.db2.gz	XRLMWFDYEURNQU-UHFFFAOYSA-N	-1	0	303.318	0.243	20	30		DCEDRM
COc1ccc(S(=O)(=O)[N-]c2ncnc(OC)c2C#N)cn1	ZINC001195693343	773463950	/nfs/dbraw/zinc/46/39/50/773463950.db2.gz	MQJVCOXVICSOSU-UHFFFAOYSA-N	-1	0	321.318	0.561	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H]2COCCC23OCCO3)c([O-])c1	ZINC001195764859	773470475	/nfs/dbraw/zinc/47/04/75/773470475.db2.gz	SJZVZONEOINQGT-CYBMUJFWSA-N	-1	0	304.302	0.526	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1c(C#N)cnn1C(C)C	ZINC001195941550	773499258	/nfs/dbraw/zinc/49/92/58/773499258.db2.gz	FVQOARXQXYZXJK-UHFFFAOYSA-N	-1	0	300.340	0.640	20	30		DCEDRM
Cc1ncc(NS(=O)(=O)c2cc(Cl)ccc2C#N)c(=O)[nH]1	ZINC001196711296	773635212	/nfs/dbraw/zinc/63/52/12/773635212.db2.gz	JMVGRNTZOMBGOO-SNVBAGLBSA-N	-1	0	324.749	0.888	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccccc1C(=O)[O-])C(=O)OC	ZINC001198811636	773987925	/nfs/dbraw/zinc/98/79/25/773987925.db2.gz	YBBRFXQSOZBBRL-JTQLQIEISA-N	-1	0	311.315	0.228	20	30		DCEDRM
N#Cc1cc(NC(=O)Cn2cccc(N)c2=O)c([O-])cc1F	ZINC001219068197	774356650	/nfs/dbraw/zinc/35/66/50/774356650.db2.gz	KWXMYJBJHCFPSD-UHFFFAOYSA-N	-1	0	302.265	0.786	20	30		DCEDRM
C#CCC1(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCC1	ZINC001114397350	774829987	/nfs/dbraw/zinc/82/99/87/774829987.db2.gz	LKAXHHCSBLXZPZ-PJXYFTJBSA-N	-1	0	315.377	0.250	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cc(C)nn1C	ZINC001222700078	775418634	/nfs/dbraw/zinc/41/86/34/775418634.db2.gz	RYZPLUFDPMNUBB-LBPRGKRZSA-N	-1	0	304.368	0.704	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC/C=C/C(=O)OCC	ZINC001224345592	775562447	/nfs/dbraw/zinc/56/24/47/775562447.db2.gz	VLRBYFPPHIWTOP-MVIFTORASA-N	-1	0	308.352	0.581	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccccc1C(N)=O	ZINC001225297719	775662794	/nfs/dbraw/zinc/66/27/94/775662794.db2.gz	MKSPJXCAJHQFMJ-SNVBAGLBSA-N	-1	0	315.347	0.623	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccccc1C(N)=O	ZINC001225297718	775663315	/nfs/dbraw/zinc/66/33/15/775663315.db2.gz	MKSPJXCAJHQFMJ-JTQLQIEISA-N	-1	0	315.347	0.623	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccnc1[N+](=O)[O-]	ZINC001225630165	775700837	/nfs/dbraw/zinc/70/08/37/775700837.db2.gz	XEWJKMSFWXCBHN-VIFPVBQESA-N	-1	0	318.307	0.828	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nc2cccnc2[nH]1	ZINC001226668528	775857568	/nfs/dbraw/zinc/85/75/68/775857568.db2.gz	UWSVWCCZGIUKIJ-VIFPVBQESA-N	-1	0	313.335	0.796	20	30		DCEDRM
N#Cc1ccccc1CN1CC[C@@H](Oc2nc(=O)[n-]c(=O)[nH]2)C1	ZINC001227570507	775987548	/nfs/dbraw/zinc/98/75/48/775987548.db2.gz	LUCSUWGISVNRLF-GFCCVEGCSA-N	-1	0	313.317	0.808	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1n[nH]c(=O)cc1C	ZINC001227797191	776007130	/nfs/dbraw/zinc/00/71/30/776007130.db2.gz	GFTHMVLMVNMJMU-SECBINFHSA-N	-1	0	304.324	0.328	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccnc(OC)n1	ZINC001228561390	776097064	/nfs/dbraw/zinc/09/70/64/776097064.db2.gz	KINNACZGIMERKF-VIFPVBQESA-N	-1	0	304.324	0.323	20	30		DCEDRM
O=C(C#CC1CC1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1	ZINC001042057569	777666095	/nfs/dbraw/zinc/66/60/95/777666095.db2.gz	LFIUQFFRNAJZHJ-CHWSQXEVSA-N	-1	0	315.377	0.347	20	30		DCEDRM
N#Cc1c(Cl)nsc1N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001601080518	1168583212	/nfs/dbraw/zinc/58/32/12/1168583212.db2.gz	CWEZPPBHFWZVKD-SSDOTTSWSA-N	-1	0	314.754	0.838	20	30		DCEDRM
C#CCCCS(=O)(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC001602710946	1169166297	/nfs/dbraw/zinc/16/62/97/1169166297.db2.gz	WVJBZJWPSIRMKA-UHFFFAOYSA-N	-1	0	303.380	0.591	20	30		DCEDRM
CCCN(CC#N)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001267318999	939423679	/nfs/dbraw/zinc/42/36/79/939423679.db2.gz	BODHDOHIJDBSNI-UHFFFAOYSA-N	-1	0	303.322	0.894	20	30		DCEDRM
C=C(C)CN1CC[C@@]2(CCN(C(=O)c3cc(=O)[nH]cn3)C2)C1=O	ZINC001269131359	940626269	/nfs/dbraw/zinc/62/62/69/940626269.db2.gz	ZIIYWBUQAHXFNX-INIZCTEOSA-N	-1	0	316.361	0.823	20	30		DCEDRM
CC(C)C(CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001412854319	942107989	/nfs/dbraw/zinc/10/79/89/942107989.db2.gz	SIXKBEPXCINXTB-UHFFFAOYSA-N	-1	0	306.366	0.865	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1CCCS1(=O)=O	ZINC001412972634	942166858	/nfs/dbraw/zinc/16/68/58/942166858.db2.gz	QIDOCSZPTJRNEM-JTQLQIEISA-N	-1	0	309.347	0.274	20	30		DCEDRM
CCC(=O)N1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1	ZINC001413010486	942194440	/nfs/dbraw/zinc/19/44/40/942194440.db2.gz	IOGJRNLIMIGTGQ-UHFFFAOYSA-N	-1	0	300.322	0.318	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCO[C@H]([C@@H](C)O)C2)cc1C#N	ZINC001413101737	942504085	/nfs/dbraw/zinc/50/40/85/942504085.db2.gz	IVTNGZJRFSZMOH-KCJUWKMLSA-N	-1	0	323.374	0.603	20	30		DCEDRM
CC(C)CCO[C@@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413307230	942618212	/nfs/dbraw/zinc/61/82/12/942618212.db2.gz	HHSAIIAWHQLDSI-NSHDSACASA-N	-1	0	322.365	0.388	20	30		DCEDRM
N#Cc1ccc(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cn1	ZINC001601097809	970931948	/nfs/dbraw/zinc/93/19/48/970931948.db2.gz	DVCSUVGVOLISNA-AWEZNQCLSA-N	-1	0	310.313	0.703	20	30		DCEDRM
N#Cc1ccc(NC(=O)CN[C@@]2(C(=O)[O-])CCOC2)cc1Cl	ZINC001601106897	970934588	/nfs/dbraw/zinc/93/45/88/970934588.db2.gz	JFAKLYRZIJGSMW-AWEZNQCLSA-N	-1	0	323.736	0.983	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cnc2n1CCOC2	ZINC001413777123	943959277	/nfs/dbraw/zinc/95/92/77/943959277.db2.gz	WMJRSEBSAALYPH-UHFFFAOYSA-N	-1	0	313.317	0.624	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC3(C2)CCOC[C@@H]3C(N)=O)c([O-])c1	ZINC001276865069	944333395	/nfs/dbraw/zinc/33/33/95/944333395.db2.gz	PSGRLCYUZDTROF-GFCCVEGCSA-N	-1	0	315.329	0.228	20	30		DCEDRM
C=CCCCN1CCc2onc(C(=O)N=c3nn[n-]n3C)c2C1	ZINC001277758110	944969782	/nfs/dbraw/zinc/96/97/82/944969782.db2.gz	ADDBNXZEDOIHBW-UHFFFAOYSA-N	-1	0	317.353	0.197	20	30		DCEDRM
C=CCc1ccc(OCC(=O)NCc2nc(=O)o[n-]2)c(OC)c1	ZINC001319663264	945639725	/nfs/dbraw/zinc/63/97/25/945639725.db2.gz	TTXFSCQWPORJEB-UHFFFAOYSA-N	-1	0	319.317	0.795	20	30		DCEDRM
CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccccc2C#N)CC1	ZINC001319920129	945694547	/nfs/dbraw/zinc/69/45/47/945694547.db2.gz	UPTGDYSSYVLWLV-UHFFFAOYSA-N	-1	0	322.342	0.706	20	30		DCEDRM
C#CCC(CC#C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001602674693	971242374	/nfs/dbraw/zinc/24/23/74/971242374.db2.gz	AJWZWWGKXFVYTA-CYBMUJFWSA-N	-1	0	304.346	0.231	20	30		DCEDRM
C=CC[C@@H](NC(=O)CCNC(=O)Cc1ccccc1)C(=O)[O-]	ZINC001322600814	946741632	/nfs/dbraw/zinc/74/16/32/946741632.db2.gz	IRYBUKQCZGTRGG-CYBMUJFWSA-N	-1	0	304.346	0.881	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN1C(=O)c1ccccc1	ZINC001602682809	971269991	/nfs/dbraw/zinc/26/99/91/971269991.db2.gz	VBADACPJUYGDRU-AWEZNQCLSA-N	-1	0	314.341	0.838	20	30		DCEDRM
Cc1noc([N-]S(=O)(=O)c2ccccc2C#N)c1C(N)=O	ZINC001258201433	946810359	/nfs/dbraw/zinc/81/03/59/946810359.db2.gz	BBEIRUINRIJKHW-UHFFFAOYSA-N	-1	0	306.303	0.754	20	30		DCEDRM
COC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccccc1C#N	ZINC001258208164	946812306	/nfs/dbraw/zinc/81/23/06/946812306.db2.gz	KMCZKTNKWPDLCF-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1	ZINC001602685651	971282261	/nfs/dbraw/zinc/28/22/61/971282261.db2.gz	CPQPFDICZWUIOA-IUCAKERBSA-N	-1	0	308.256	0.826	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(F)c(C#N)cc1OC	ZINC001259026673	946899547	/nfs/dbraw/zinc/89/95/47/946899547.db2.gz	RNJPXCAXWRQUMF-UHFFFAOYSA-N	-1	0	302.283	0.621	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(C#N)cc(C(=O)OC)c1	ZINC001259026561	946900159	/nfs/dbraw/zinc/90/01/59/946900159.db2.gz	LYMITVVPRIYLPE-UHFFFAOYSA-N	-1	0	312.303	0.260	20	30		DCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cn1	ZINC001259338873	946946079	/nfs/dbraw/zinc/94/60/79/946946079.db2.gz	BARXUKSUFZBXJX-UHFFFAOYSA-N	-1	0	318.314	0.920	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)[N-]c2cnccc2C(N)=O)ccc1F	ZINC001259412498	946955924	/nfs/dbraw/zinc/95/59/24/946955924.db2.gz	LAJPEVQWMDIKNI-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
C=CCS(=O)(=O)[N-]c1ncnn2c(Br)ccc12	ZINC001259922924	947020049	/nfs/dbraw/zinc/02/00/49/947020049.db2.gz	YFUQVNVGXBYFNZ-UHFFFAOYSA-N	-1	0	317.168	0.841	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC001602699190	971315716	/nfs/dbraw/zinc/31/57/16/971315716.db2.gz	MXAJJNHTZHFVST-UHFFFAOYSA-N	-1	0	312.734	0.920	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CCc2c(C)n[nH]c2C)n1C	ZINC001602700611	971319417	/nfs/dbraw/zinc/31/94/17/971319417.db2.gz	AYRKHVNQURLLGW-UHFFFAOYSA-N	-1	0	316.365	0.464	20	30		DCEDRM
O=S(=O)([N-]CCCS)c1nc2nc(Cl)ccn2n1	ZINC001260180312	947080152	/nfs/dbraw/zinc/08/01/52/947080152.db2.gz	LVVIFORAHCSLSU-UHFFFAOYSA-N	-1	0	307.788	0.376	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)OC	ZINC001260192394	947081132	/nfs/dbraw/zinc/08/11/32/947081132.db2.gz	KOBKPLRCYKAVRZ-NSHDSACASA-N	-1	0	313.331	0.781	20	30		DCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2cccc3nonc32)cn1	ZINC001260435612	947101700	/nfs/dbraw/zinc/10/17/00/947101700.db2.gz	JNSWCOSSJUODRK-UHFFFAOYSA-N	-1	0	302.275	0.685	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1cc(F)c(C#N)cc1F	ZINC001260590558	947119380	/nfs/dbraw/zinc/11/93/80/947119380.db2.gz	IHWHKLLVNQLPEO-UHFFFAOYSA-N	-1	0	310.303	0.580	20	30		DCEDRM
CC(=O)Nc1ncc(S(=O)(=O)[N-]c2oncc2C#N)s1	ZINC001260700668	947139685	/nfs/dbraw/zinc/13/96/85/947139685.db2.gz	JWLYGXKWBVPRBP-UHFFFAOYSA-N	-1	0	313.320	0.762	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)[N-]c2nnccc2C#N)c1	ZINC001260838437	947152440	/nfs/dbraw/zinc/15/24/40/947152440.db2.gz	DISIDECBFNEJGI-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(=O)OC	ZINC001602709489	971346845	/nfs/dbraw/zinc/34/68/45/971346845.db2.gz	CUBYGSGGXDSXEY-NSHDSACASA-N	-1	0	322.317	0.171	20	30		DCEDRM
C=C(C)COCCn1nnnc1N1CCC(C)(C(=O)[O-])CC1	ZINC001602710522	971352176	/nfs/dbraw/zinc/35/21/76/971352176.db2.gz	ZLEVMGVHVHWVHO-UHFFFAOYSA-N	-1	0	309.370	0.957	20	30		DCEDRM
C=C[C@@](C)(CC)c1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1	ZINC001602717537	971368205	/nfs/dbraw/zinc/36/82/05/971368205.db2.gz	QJAOJKGSYIKRNY-AWEZNQCLSA-N	-1	0	320.305	0.937	20	30		DCEDRM
C=CCN1CC[C@@H](OC(=O)C2(CC(=O)[O-])CCOCC2)C1=O	ZINC001602723056	971393035	/nfs/dbraw/zinc/39/30/35/971393035.db2.gz	JOSUITIVDPIVLA-LLVKDONJSA-N	-1	0	311.334	0.588	20	30		DCEDRM
C#Cc1cccc(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1	ZINC001263064291	947799635	/nfs/dbraw/zinc/79/96/35/947799635.db2.gz	WNZFXPTUINKUJJ-UHFFFAOYSA-N	-1	0	315.329	0.106	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])c1	ZINC001326036743	948029289	/nfs/dbraw/zinc/02/92/89/948029289.db2.gz	JCIZPKPPLJXJBX-JTQLQIEISA-N	-1	0	304.302	0.617	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](Nc2ncccn2)C1	ZINC001602778388	971511412	/nfs/dbraw/zinc/51/14/12/971511412.db2.gz	HBPRAPYXKJRGNZ-IINYFYTJSA-N	-1	0	303.322	0.494	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCO[C@]3(CCOC3)C1)cc2=O	ZINC001364393286	949178742	/nfs/dbraw/zinc/17/87/42/949178742.db2.gz	KTSQVNWCADIYFW-OAHLLOKOSA-N	-1	0	315.333	0.298	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCC(=O)N2CCCCCC2)c(C#N)c1=O	ZINC001364537990	949517016	/nfs/dbraw/zinc/51/70/16/949517016.db2.gz	IWJYEMJNZOWMFD-UHFFFAOYSA-N	-1	0	319.365	0.150	20	30		DCEDRM
C=CCCOCC(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001490425204	950691092	/nfs/dbraw/zinc/69/10/92/950691092.db2.gz	OZTWUKZQNOQLQM-UHFFFAOYSA-N	-1	0	323.397	0.526	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H]2COC3(CCCCC3)O2)c(C#N)c1=O	ZINC001365221733	950763271	/nfs/dbraw/zinc/76/32/71/950763271.db2.gz	DHROXVCFMXIIOU-JTQLQIEISA-N	-1	0	320.349	0.433	20	30		DCEDRM
C[C@@H](C[C@H](O)c1cccs1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365222679	950763638	/nfs/dbraw/zinc/76/36/38/950763638.db2.gz	DCUQGYVQSBQYFR-WPRPVWTQSA-N	-1	0	320.374	0.931	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001280412678	950847990	/nfs/dbraw/zinc/84/79/90/950847990.db2.gz	RUWULFYTPKYEHA-VXGBXAGGSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=CC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001280509150	950910799	/nfs/dbraw/zinc/91/07/99/950910799.db2.gz	KTAFWUZDPYUCEX-MRVPVSSYSA-N	-1	0	323.353	0.072	20	30		DCEDRM
CN(CCCN(C)C(=O)CSCC#N)Cc1n[nH]c(=O)[n-]1	ZINC001280787538	951087496	/nfs/dbraw/zinc/08/74/96/951087496.db2.gz	MZEJPYMBCUJXPM-UHFFFAOYSA-N	-1	0	312.399	0.047	20	30		DCEDRM
N#Cc1csc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)n1	ZINC001365464503	951155885	/nfs/dbraw/zinc/15/58/85/951155885.db2.gz	WYZFXCVMGXDFQI-UHFFFAOYSA-N	-1	0	320.421	0.611	20	30		DCEDRM
CSc1nc([O-])c(C(=O)N=c2ccn(C)c(=O)[nH]2)cc1C#N	ZINC001411464321	952166031	/nfs/dbraw/zinc/16/60/31/952166031.db2.gz	JSPAKASDKJKQPN-UHFFFAOYSA-N	-1	0	317.330	0.561	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001335188762	952480033	/nfs/dbraw/zinc/48/00/33/952480033.db2.gz	RUUCMPSDPAFQMJ-UHFFFAOYSA-N	-1	0	324.265	0.345	20	30		DCEDRM
C[C@@H]1CC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1C	ZINC001412005029	952594894	/nfs/dbraw/zinc/59/48/94/952594894.db2.gz	NUVLWAYERFCVCK-CKYFFXLPSA-N	-1	0	304.350	0.761	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC001412039190	952614289	/nfs/dbraw/zinc/61/42/89/952614289.db2.gz	CFDDUAOWFQARJQ-JTQLQIEISA-N	-1	0	303.351	0.638	20	30		DCEDRM
CNS(=O)(=O)c1ccc(C(=O)NCc2ccnc(C#N)c2)o1	ZINC001412094229	952643025	/nfs/dbraw/zinc/64/30/25/952643025.db2.gz	BJSNQEHOTDQWBE-UHFFFAOYSA-N	-1	0	320.330	0.384	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCCn3nnnc32)cc1C#N	ZINC001412134018	952658572	/nfs/dbraw/zinc/65/85/72/952658572.db2.gz	WJQYCXDLSXWOGQ-UHFFFAOYSA-N	-1	0	317.334	0.418	20	30		DCEDRM
Cc1csc(N(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001412535092	952874966	/nfs/dbraw/zinc/87/49/66/952874966.db2.gz	TZYHBEIFECANBA-UHFFFAOYSA-N	-1	0	305.319	0.249	20	30		DCEDRM
CC[C@H](C[C@@H](C)CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412699383	953003640	/nfs/dbraw/zinc/00/36/40/953003640.db2.gz	VNKXXUAVFJLVQV-ZYHUDNBSSA-N	-1	0	322.365	0.124	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@H]2CCCCS2)c(=O)[n-]c1=O	ZINC001412730867	953027545	/nfs/dbraw/zinc/02/75/45/953027545.db2.gz	OVGARYSKKVONNH-SNVBAGLBSA-N	-1	0	308.363	0.222	20	30		DCEDRM
C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCOCC1	ZINC001338851166	953057100	/nfs/dbraw/zinc/05/71/00/953057100.db2.gz	JIHHUASAHXECFL-UHFFFAOYSA-N	-1	0	304.354	0.890	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(C)(C#N)CC1	ZINC001339055652	953070402	/nfs/dbraw/zinc/07/04/02/953070402.db2.gz	OIWBDDNNKVMSFJ-UHFFFAOYSA-N	-1	0	313.365	0.818	20	30		DCEDRM
C=CC[C@H](NC(=O)CNC(=O)c1ccc(OCC)cc1)C(=O)[O-]	ZINC001339861819	953125026	/nfs/dbraw/zinc/12/50/26/953125026.db2.gz	KHXRMEYSVBCQOE-ZDUSSCGKSA-N	-1	0	320.345	0.961	20	30		DCEDRM
CC(C)(CC(=O)[O-])NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC001602931646	971898147	/nfs/dbraw/zinc/89/81/47/971898147.db2.gz	JGNZNMWVUPJHKY-UHFFFAOYSA-N	-1	0	303.318	0.658	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@@H](CO)[C@@H]1C	ZINC001340432492	953168874	/nfs/dbraw/zinc/16/88/74/953168874.db2.gz	ZBBFNXXUQWHACJ-QWRGUYRKSA-N	-1	0	318.381	0.285	20	30		DCEDRM
CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC001341794783	953251416	/nfs/dbraw/zinc/25/14/16/953251416.db2.gz	NBKILPNOGKRABD-UHFFFAOYSA-N	-1	0	303.384	0.433	20	30		DCEDRM
Cc1cc(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)co1	ZINC001342595549	953297476	/nfs/dbraw/zinc/29/74/76/953297476.db2.gz	MBDJHPICAOTROI-NSHDSACASA-N	-1	0	310.331	0.168	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@H](C#N)C1	ZINC001342911604	953313923	/nfs/dbraw/zinc/31/39/23/953313923.db2.gz	LENDZMGEFZYTGH-LLVKDONJSA-N	-1	0	313.365	0.818	20	30		DCEDRM
C=C(C)Cn1c(CCc2nn[nH]n2)nnc1N(C)CCCF	ZINC001342965727	953315834	/nfs/dbraw/zinc/31/58/34/953315834.db2.gz	ZYNBJRWPMBCDPK-UHFFFAOYSA-N	-1	0	308.365	0.948	20	30		DCEDRM
C#C[C@H](C)N(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@H]1CCCO1	ZINC001343281676	953333661	/nfs/dbraw/zinc/33/36/61/953333661.db2.gz	CYNNDFBIXDCRKG-WDEREUQCSA-N	-1	0	316.365	0.139	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(CNC(N)=O)cc1	ZINC001343291562	953334507	/nfs/dbraw/zinc/33/45/07/953334507.db2.gz	MWSMGFXHBCLDNB-LBPRGKRZSA-N	-1	0	300.318	0.456	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C[C@H](C)C#N	ZINC001343787101	953377268	/nfs/dbraw/zinc/37/72/68/953377268.db2.gz	NZFYUFVESDEDJO-SNVBAGLBSA-N	-1	0	301.354	0.674	20	30		DCEDRM
CCn1c(NC(=O)[C@@H](OC)C(=O)[O-])nc2cc(C#N)ccc21	ZINC001593663159	953808697	/nfs/dbraw/zinc/80/86/97/953808697.db2.gz	FWLLYCJMSDWUOR-LLVKDONJSA-N	-1	0	302.290	0.966	20	30		DCEDRM
CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1cc(C#N)ccn1	ZINC001593674887	953910472	/nfs/dbraw/zinc/91/04/72/953910472.db2.gz	DHZHVIAAMFGZIE-NSHDSACASA-N	-1	0	316.317	0.239	20	30		DCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1	ZINC001347049099	954010122	/nfs/dbraw/zinc/01/01/22/954010122.db2.gz	NRYUTWAVUWROKZ-UHFFFAOYSA-N	-1	0	302.396	0.800	20	30		DCEDRM
CN(C)C[C@](C)(C#N)NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001593691829	954041937	/nfs/dbraw/zinc/04/19/37/954041937.db2.gz	AWUZFFFVNUOKFL-HNNXBMFYSA-N	-1	0	305.334	0.724	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC001593731884	954321637	/nfs/dbraw/zinc/32/16/37/954321637.db2.gz	XSOADFIDJZOQAQ-UHFFFAOYSA-N	-1	0	320.349	0.986	20	30		DCEDRM
CN(CCCC(=O)[O-])C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC001593744619	954374946	/nfs/dbraw/zinc/37/49/46/954374946.db2.gz	YUSCWEDDDJBNKP-OUKQBFOZSA-N	-1	0	324.337	0.019	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C1	ZINC001348839878	954495670	/nfs/dbraw/zinc/49/56/70/954495670.db2.gz	GZOFVUCMXHUPAJ-FRRDWIJNSA-N	-1	0	324.377	0.359	20	30		DCEDRM
C[C@@H]1[C@@H](NC(=O)CSCC#N)CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001284121186	954860616	/nfs/dbraw/zinc/86/06/16/954860616.db2.gz	PMMYEJHGOLSVJL-ZJUUUORDSA-N	-1	0	324.410	0.236	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(C(=O)[C@@H](C)CC#N)C[C@@H]2C(=O)[O-]	ZINC001593821469	955042491	/nfs/dbraw/zinc/04/24/91/955042491.db2.gz	RXLABXVMQLVEPM-BFVXHGPNSA-N	-1	0	308.334	0.649	20	30		DCEDRM
COC(=O)[C@]12CCC[C@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2	ZINC001593865214	955570822	/nfs/dbraw/zinc/57/08/22/955570822.db2.gz	HSHXKMGDYANXLI-VQISRLSMSA-N	-1	0	308.334	0.793	20	30		DCEDRM
C#CCCN(CCOC)c1nnc(-c2cc(=O)n(C)[n-]2)n1CC	ZINC001352819463	955779420	/nfs/dbraw/zinc/77/94/20/955779420.db2.gz	AWRWUAORYXRCNJ-UHFFFAOYSA-N	-1	0	318.381	0.880	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001285674782	955901709	/nfs/dbraw/zinc/90/17/09/955901709.db2.gz	PPBWMZLYBSKEOT-RKDXNWHRSA-N	-1	0	323.353	0.120	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1	ZINC001593915549	956017250	/nfs/dbraw/zinc/01/72/50/956017250.db2.gz	OYNLGHYQJHIIBD-NSHDSACASA-N	-1	0	315.289	0.236	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1cnn(C(C)C)c1	ZINC001353532657	956096779	/nfs/dbraw/zinc/09/67/79/956096779.db2.gz	AIOCURXPHWCMBE-UHFFFAOYSA-N	-1	0	301.393	0.635	20	30		DCEDRM
N#C[C@]1(C(=O)NCCOCCOCC(=O)[O-])CC2CCC1CC2	ZINC001594600925	956127767	/nfs/dbraw/zinc/12/77/67/956127767.db2.gz	CTPRFQGIOCJWHF-SEEARECTSA-N	-1	0	324.377	0.940	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)NCc2ccccc2C(=O)[O-])C1	ZINC001594602267	956144341	/nfs/dbraw/zinc/14/43/41/956144341.db2.gz	LLEXYLJSYAOAFL-HNNXBMFYSA-N	-1	0	319.292	0.465	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCC(=O)Nc1ccc(CC#N)cc1	ZINC001593930696	956174519	/nfs/dbraw/zinc/17/45/19/956174519.db2.gz	MMBNYCHAIFMIEA-OAHLLOKOSA-N	-1	0	320.301	0.724	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCOc2ccccc2F)c(C#N)c1=O	ZINC001354062552	956269491	/nfs/dbraw/zinc/26/94/91/956269491.db2.gz	QYCAUSZMIFTZQV-UHFFFAOYSA-N	-1	0	318.308	0.965	20	30		DCEDRM
N#Cc1ccsc1N1CC[C@H](OC(=O)COCC(=O)[O-])C1=O	ZINC001594632107	956349558	/nfs/dbraw/zinc/34/95/58/956349558.db2.gz	UGOADCCCUOEVCF-VIFPVBQESA-N	-1	0	324.314	0.369	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCCCN(CC(=O)[O-])C2=O)nc1C#N	ZINC001594635948	956371738	/nfs/dbraw/zinc/37/17/38/956371738.db2.gz	ZBJRJKINHMPABS-SECBINFHSA-N	-1	0	314.305	0.098	20	30		DCEDRM
C[C@@H](OC(=O)COCC(=O)[O-])C(=O)Nc1cccc(C#N)c1	ZINC001589160035	956402160	/nfs/dbraw/zinc/40/21/60/956402160.db2.gz	ZHMQPBTYSGCTLN-SECBINFHSA-N	-1	0	306.274	0.530	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)CC2(C#N)CCOCC2)C1	ZINC001593961966	956494929	/nfs/dbraw/zinc/49/49/29/956494929.db2.gz	ZHYGJHZBEOPSJP-HNNXBMFYSA-N	-1	0	310.350	0.647	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)C[C@H](C)C1CC1)C(=O)OC	ZINC001463597060	1013147900	/nfs/dbraw/zinc/14/79/00/1013147900.db2.gz	GDOPZILIWZEHKR-CMPLNLGQSA-N	-1	0	305.396	0.696	20	30		DCEDRM
N#CCCCCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001293153426	957288057	/nfs/dbraw/zinc/28/80/57/957288057.db2.gz	GSIFHXDGWMBRAY-UHFFFAOYSA-N	-1	0	301.306	0.690	20	30		DCEDRM
COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NCC#N	ZINC000040605455	957378987	/nfs/dbraw/zinc/37/89/87/957378987.db2.gz	KAEANIKXUFPKJP-UHFFFAOYSA-N	-1	0	304.711	0.849	20	30		DCEDRM
Cn1ncc2c1CCC[C@@H]2Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001413880202	957501627	/nfs/dbraw/zinc/50/16/27/957501627.db2.gz	PBAFEVXZGDVFCH-JTQLQIEISA-N	-1	0	300.322	0.168	20	30		DCEDRM
COCCn1c([C@H]2C[C@H]2C#N)nnc1N1CCC(C(=O)[O-])CC1	ZINC001594024142	957692191	/nfs/dbraw/zinc/69/21/91/957692191.db2.gz	LZNLBXHISGPXQX-RYUDHWBXSA-N	-1	0	319.365	0.853	20	30		DCEDRM
C#C[C@@H](NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)C(C)C	ZINC001341255694	957959082	/nfs/dbraw/zinc/95/90/82/957959082.db2.gz	HWJXJFMHOADGQW-NEPJUHHUSA-N	-1	0	309.366	0.409	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(OC)cc1OC	ZINC001588395519	958041006	/nfs/dbraw/zinc/04/10/06/958041006.db2.gz	NDZUWJLJEZYKEV-UHFFFAOYSA-N	-1	0	320.301	0.189	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1	ZINC001588399877	958075740	/nfs/dbraw/zinc/07/57/40/958075740.db2.gz	PVEXBABCUTZGTL-SNVBAGLBSA-N	-1	0	310.306	0.019	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(C(=O)[C@@H](C)CC)C1	ZINC001588400504	958084766	/nfs/dbraw/zinc/08/47/66/958084766.db2.gz	ZPDBZMRTDYXMKH-STQMWFEESA-N	-1	0	308.378	0.818	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1	ZINC001588402489	958093361	/nfs/dbraw/zinc/09/33/61/958093361.db2.gz	VREVNJSXPXKBOS-RYUDHWBXSA-N	-1	0	311.334	0.234	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCCNC(=O)c1ccccc1	ZINC001588402533	958093887	/nfs/dbraw/zinc/09/38/87/958093887.db2.gz	WTXPBGQPECZUOP-UHFFFAOYSA-N	-1	0	302.330	0.743	20	30		DCEDRM
C=CCOCCCC(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001297032500	958102413	/nfs/dbraw/zinc/10/24/13/958102413.db2.gz	LLVGQMQBZTYUNU-UHFFFAOYSA-N	-1	0	322.365	0.347	20	30		DCEDRM
COc1ccc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001361586302	958108375	/nfs/dbraw/zinc/10/83/75/958108375.db2.gz	BULCMOOJYIOOAB-UHFFFAOYSA-N	-1	0	315.289	0.253	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2sc(C)c(C)n2c1=O	ZINC001588418734	958184840	/nfs/dbraw/zinc/18/48/40/958184840.db2.gz	QBYRCXWBBBGBCW-UHFFFAOYSA-N	-1	0	319.342	0.533	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CN2CCCCCC2=O)n1C	ZINC001588427153	958239856	/nfs/dbraw/zinc/23/98/56/958239856.db2.gz	OOEFGYZFCSSOJN-UHFFFAOYSA-N	-1	0	319.365	0.242	20	30		DCEDRM
C#CCOCCC(=O)N[C@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001297385509	958241332	/nfs/dbraw/zinc/24/13/32/958241332.db2.gz	GDDQNDCCUXIMKI-LLVKDONJSA-N	-1	0	322.365	0.088	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2nnc(C3CC3)o2)n1CC	ZINC001588427294	958242554	/nfs/dbraw/zinc/24/25/54/958242554.db2.gz	SIJWNOHLIFHDKY-UHFFFAOYSA-N	-1	0	316.321	0.750	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001588430192	958254117	/nfs/dbraw/zinc/25/41/17/958254117.db2.gz	JNOTUETXSITWFY-LBPRGKRZSA-N	-1	0	302.334	0.999	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1	ZINC001588430485	958258117	/nfs/dbraw/zinc/25/81/17/958258117.db2.gz	MFQUIYBLYKBFIG-MRXNPFEDSA-N	-1	0	306.362	0.475	20	30		DCEDRM
C[C@H]1CCCC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361740120	958273264	/nfs/dbraw/zinc/27/32/64/958273264.db2.gz	DFANNSMBCXNJTR-CMPLNLGQSA-N	-1	0	304.350	0.906	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1	ZINC001588438899	958306521	/nfs/dbraw/zinc/30/65/21/958306521.db2.gz	ILLUOCYPCXRKBB-YPMHNXCESA-N	-1	0	300.314	0.976	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N(C)C[C@H](C)C#N)cc2=O)n1	ZINC001361845915	958400308	/nfs/dbraw/zinc/40/03/08/958400308.db2.gz	ZXTOGTHOPDZLJF-SECBINFHSA-N	-1	0	314.349	0.804	20	30		DCEDRM
C=C[C@H](O)C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001588451776	958413992	/nfs/dbraw/zinc/41/39/92/958413992.db2.gz	ARBZPFHUNPUFOZ-AGIUHOORSA-N	-1	0	318.329	0.076	20	30		DCEDRM
C=CCCS(=O)(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588460901	958481174	/nfs/dbraw/zinc/48/11/74/958481174.db2.gz	ZYWZCSQDBJJFKO-QWKFWESOSA-N	-1	0	303.380	0.894	20	30		DCEDRM
C=CCOCCCC(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001588465172	958497998	/nfs/dbraw/zinc/49/79/98/958497998.db2.gz	NWXINQYFBVWFPN-CQSZACIVSA-N	-1	0	301.339	0.298	20	30		DCEDRM
C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588472447	958542936	/nfs/dbraw/zinc/54/29/36/958542936.db2.gz	MTUPOUMWSACDKS-LLVKDONJSA-N	-1	0	319.365	0.369	20	30		DCEDRM
C=CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1[C@@]1(C)CNC(=O)C1	ZINC001588473337	958550051	/nfs/dbraw/zinc/55/00/51/958550051.db2.gz	XZMFXJOFCRCSOF-MEBBXXQBSA-N	-1	0	319.365	0.153	20	30		DCEDRM
C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001588473433	958551701	/nfs/dbraw/zinc/55/17/01/958551701.db2.gz	ZKPUGHGQSLKIKV-GHMZBOCLSA-N	-1	0	319.365	0.716	20	30		DCEDRM
C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588474229	958555590	/nfs/dbraw/zinc/55/55/90/958555590.db2.gz	GACVCZIVWYKQEA-BONVTDFDSA-N	-1	0	319.365	0.716	20	30		DCEDRM
C=CCn1nnn(CN2CC[C@@](COC)(C(=O)[O-])C2)c1=S	ZINC001588474751	958558894	/nfs/dbraw/zinc/55/88/94/958558894.db2.gz	OVHHFIDYLAKHEL-GFCCVEGCSA-N	-1	0	313.383	0.376	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](n1cncn1)C(F)(F)F	ZINC001573364218	958612920	/nfs/dbraw/zinc/61/29/20/958612920.db2.gz	OEARMMDEURUQEC-GMSGAONNSA-N	-1	0	319.243	0.502	20	30		DCEDRM
COC[C@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362144698	958817279	/nfs/dbraw/zinc/81/72/79/958817279.db2.gz	DQFQUDGRBRSQJC-NSHDSACASA-N	-1	0	320.349	0.096	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2ccnc(N)n2)C1	ZINC001588538479	958940984	/nfs/dbraw/zinc/94/09/84/958940984.db2.gz	ISXILDCQKGODLV-BONVTDFDSA-N	-1	0	317.349	0.769	20	30		DCEDRM
C[C@@H](C#N)CN(C(=O)c1cccn(CC(=O)[O-])c1=O)C1CC1	ZINC001588543464	958979929	/nfs/dbraw/zinc/97/99/29/958979929.db2.gz	MJCGXHCHSRQBQQ-JTQLQIEISA-N	-1	0	303.318	0.697	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)c1cnc(C(=O)[O-])cn1)C1CC1	ZINC001588543799	958983406	/nfs/dbraw/zinc/98/34/06/958983406.db2.gz	SJWNCLGFPZJXCP-CQSZACIVSA-N	-1	0	318.289	0.140	20	30		DCEDRM
C[C@@H](C#N)CN(C(=O)C(=O)Nc1cncc(C(=O)[O-])c1)C1CC1	ZINC001588544013	958986672	/nfs/dbraw/zinc/98/66/72/958986672.db2.gz	XMTSWJHUVQATNF-VIFPVBQESA-N	-1	0	316.317	0.869	20	30		DCEDRM
C[C@H](CC(F)(F)F)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362310340	959118843	/nfs/dbraw/zinc/11/88/43/959118843.db2.gz	HHINLUVXBFHJCM-ZCFIWIBFSA-N	-1	0	304.228	0.278	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H](CC#N)c1ccccc1	ZINC001362343927	959179925	/nfs/dbraw/zinc/17/99/25/959179925.db2.gz	ALNRNCSIUXCBBK-LBPRGKRZSA-N	-1	0	323.374	0.266	20	30		DCEDRM
Cc1cncc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001362424950	959332806	/nfs/dbraw/zinc/33/28/06/959332806.db2.gz	NZBXLXYJKJZBQJ-UHFFFAOYSA-N	-1	0	313.317	0.231	20	30		DCEDRM
COCC1(O)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001362450800	959381692	/nfs/dbraw/zinc/38/16/92/959381692.db2.gz	JQXSXIHSHLDDRR-UHFFFAOYSA-N	-1	0	305.334	0.581	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CCSC[C@H]2c2nnn[n-]2)cn1	ZINC001362515848	959503378	/nfs/dbraw/zinc/50/33/78/959503378.db2.gz	FXOMYNKHIXPRSF-NSHDSACASA-N	-1	0	315.362	0.326	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC001362648890	959762841	/nfs/dbraw/zinc/76/28/41/959762841.db2.gz	LTQHPRJVQTUIIJ-LLVKDONJSA-N	-1	0	316.317	0.634	20	30		DCEDRM
C[C@H](C#N)Oc1ccccc1NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001362679342	959817309	/nfs/dbraw/zinc/81/73/09/959817309.db2.gz	AOXVKXMSTOZJCQ-MRVPVSSYSA-N	-1	0	303.278	0.619	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cc(Cl)cs2)c(=O)[n-]c1=O	ZINC001362687128	959830400	/nfs/dbraw/zinc/83/04/00/959830400.db2.gz	HYNYVUKKYSXPKL-UHFFFAOYSA-N	-1	0	324.749	0.965	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC001604083249	972478449	/nfs/dbraw/zinc/47/84/49/972478449.db2.gz	HFTCDWUEUINISP-ZDUSSCGKSA-N	-1	0	303.318	0.550	20	30		DCEDRM
Cc1cccc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)c1[N+](=O)[O-]	ZINC001307072790	960138830	/nfs/dbraw/zinc/13/88/30/960138830.db2.gz	LRUPMRYMIMHHTH-UHFFFAOYSA-N	-1	0	302.246	0.954	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)[C@H]1CCC[C@H]1OC)C(=O)OC	ZINC001309442232	960198615	/nfs/dbraw/zinc/19/86/15/960198615.db2.gz	BBGGFBQDUPWEQS-UTUOFQBUSA-N	-1	0	321.395	0.218	20	30		DCEDRM
C#CC[C@@H](COC)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001309733174	960205577	/nfs/dbraw/zinc/20/55/77/960205577.db2.gz	NAYWDUIPEXUTPC-VIFPVBQESA-N	-1	0	314.319	0.617	20	30		DCEDRM
C[C@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001363000405	960280885	/nfs/dbraw/zinc/28/08/85/960280885.db2.gz	JYTXNGMWMMZVRG-JTQLQIEISA-N	-1	0	304.350	0.763	20	30		DCEDRM
C[C@@H](CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCCO1	ZINC001363002930	960285726	/nfs/dbraw/zinc/28/57/26/960285726.db2.gz	HFETWJUXQGHGLS-JQWIXIFHSA-N	-1	0	320.349	0.142	20	30		DCEDRM
CC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC(F)(F)C1	ZINC001363128884	960441912	/nfs/dbraw/zinc/44/19/12/960441912.db2.gz	NYSAEUUNCFCGST-UHFFFAOYSA-N	-1	0	312.276	0.372	20	30		DCEDRM
C[C@H](CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)n1cccc1	ZINC001363289381	960799877	/nfs/dbraw/zinc/79/98/77/960799877.db2.gz	XRAJLJHNMGXDQW-LLVKDONJSA-N	-1	0	315.333	0.390	20	30		DCEDRM
C[C@@H](CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)n1cccc1	ZINC001363289383	960801540	/nfs/dbraw/zinc/80/15/40/960801540.db2.gz	XRAJLJHNMGXDQW-NSHDSACASA-N	-1	0	315.333	0.390	20	30		DCEDRM
CC(=O)C1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001363323186	960893790	/nfs/dbraw/zinc/89/37/90/960893790.db2.gz	MBOCYJWDRXGPNG-UHFFFAOYSA-N	-1	0	318.333	0.038	20	30		DCEDRM
N#Cc1cccc(NC2CN(C(=O)CCCc3nnn[n-]3)C2)c1	ZINC001363346811	960949207	/nfs/dbraw/zinc/94/92/07/960949207.db2.gz	YVNOITFLSNXUBL-UHFFFAOYSA-N	-1	0	311.349	0.717	20	30		DCEDRM
C[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1ccns1	ZINC001363407055	961094996	/nfs/dbraw/zinc/09/49/96/961094996.db2.gz	MBVUHRQLJYRQDM-QMMMGPOBSA-N	-1	0	319.346	0.545	20	30		DCEDRM
COC[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1nnn[n-]1	ZINC001363409478	961097102	/nfs/dbraw/zinc/09/71/02/961097102.db2.gz	FFPOKRQXYWSJRM-LBPRGKRZSA-N	-1	0	312.333	0.872	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2coc(C#N)c2)C1	ZINC001571092487	961123493	/nfs/dbraw/zinc/12/34/93/961123493.db2.gz	QRVCYOVXZPCRRD-KCJUWKMLSA-N	-1	0	306.274	0.630	20	30		DCEDRM
N#C[C@@]1(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)CCCOC1	ZINC001363429358	961132602	/nfs/dbraw/zinc/13/26/02/961132602.db2.gz	CTOIVGRHASOHQA-RISCZKNCSA-N	-1	0	304.354	0.301	20	30		DCEDRM
C[C@]1(C#N)CN(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CCO1	ZINC001571097346	961188356	/nfs/dbraw/zinc/18/83/56/961188356.db2.gz	WZFMKVIWKXGUTE-CYRTVHNOSA-N	-1	0	307.350	0.810	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cc(N3CCOCC3)ccn2)[n-]c1C#N	ZINC001363466840	961216945	/nfs/dbraw/zinc/21/69/45/961216945.db2.gz	QJQYPSUVKCBAPI-UHFFFAOYSA-N	-1	0	323.316	0.637	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001571111290	961329211	/nfs/dbraw/zinc/32/92/11/961329211.db2.gz	IVRAMVLQEZUOMB-YUMQZZPRSA-N	-1	0	311.310	0.022	20	30		DCEDRM
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[C@H](c3nnn[n-]3)C2)cc1	ZINC001363522926	961353754	/nfs/dbraw/zinc/35/37/54/961353754.db2.gz	HKXUPQTYGBTOBR-KBPBESRZSA-N	-1	0	321.344	0.770	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)NCc1c(C)nn(CC(=O)[O-])c1C	ZINC001332134998	961473768	/nfs/dbraw/zinc/47/37/68/961473768.db2.gz	FMLOSTWFVVXHAW-AWEZNQCLSA-N	-1	0	318.377	0.298	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c2ccccc2nn1C)C(=O)[O-]	ZINC001332151287	961487356	/nfs/dbraw/zinc/48/73/56/961487356.db2.gz	XFISXJIASYNNFO-LBPRGKRZSA-N	-1	0	303.318	0.959	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)C(=O)[O-]	ZINC001332171514	961504352	/nfs/dbraw/zinc/50/43/52/961504352.db2.gz	CWCOGUPXSSZTTA-BDAKNGLRSA-N	-1	0	312.288	0.641	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)NCc2ccccc2C(=O)[O-])C1	ZINC001574480264	961660163	/nfs/dbraw/zinc/66/01/63/961660163.db2.gz	CZJNJTHSAKIFIZ-HNNXBMFYSA-N	-1	0	303.318	0.945	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)c2cn(CC(=O)[O-])nn2)c1	ZINC001574487654	961687639	/nfs/dbraw/zinc/68/76/39/961687639.db2.gz	DQPBSKXLJRVWKO-UHFFFAOYSA-N	-1	0	303.253	0.303	20	30		DCEDRM
N#Cc1ccc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)nc1	ZINC001574488919	961699519	/nfs/dbraw/zinc/69/95/19/961699519.db2.gz	UYGFHWONTGFLHB-JTQLQIEISA-N	-1	0	302.290	0.215	20	30		DCEDRM
C[C@@H](Cc1cnn(C)c1)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571144855	961716279	/nfs/dbraw/zinc/71/62/79/961716279.db2.gz	ZRKHHIPOLGMGAO-NSHDSACASA-N	-1	0	319.365	0.751	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@](C)(O)c2ccc(F)cc2)c(C#N)c1=O	ZINC001363729971	961777294	/nfs/dbraw/zinc/77/72/94/961777294.db2.gz	UQRXYBIVOTZTAB-OAHLLOKOSA-N	-1	0	318.308	0.404	20	30		DCEDRM
CCN1CCC[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1=O	ZINC001571155849	961862608	/nfs/dbraw/zinc/86/26/08/961862608.db2.gz	GFZSWDIVGHIVBN-NSHDSACASA-N	-1	0	322.365	0.397	20	30		DCEDRM
COC(=O)C1(C#N)CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1	ZINC001363783254	961869475	/nfs/dbraw/zinc/86/94/75/961869475.db2.gz	BRWZSXYQLYGAPX-UHFFFAOYSA-N	-1	0	315.333	0.301	20	30		DCEDRM
N#Cc1ccc(N2CCN(S(=O)(=O)c3ncc[n-]3)CC2)nc1	ZINC001363927400	962138599	/nfs/dbraw/zinc/13/85/99/962138599.db2.gz	FZUNDJHBHBHZHL-UHFFFAOYSA-N	-1	0	318.362	0.187	20	30		DCEDRM
COC[C@@H](NC(=O)C(F)(F)c1ccccc1C#N)c1nnn[n-]1	ZINC001364035702	962337300	/nfs/dbraw/zinc/33/73/00/962337300.db2.gz	RCFOYAIJZDECGH-SNVBAGLBSA-N	-1	0	322.275	0.667	20	30		DCEDRM
CSCC1(CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001364109914	962490421	/nfs/dbraw/zinc/49/04/21/962490421.db2.gz	UNJLOYJDEXPFNK-UHFFFAOYSA-N	-1	0	322.390	0.470	20	30		DCEDRM
CCn1[n-]nnc1=NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1	ZINC001364120573	962507482	/nfs/dbraw/zinc/50/74/82/962507482.db2.gz	AQPBLUYXYAQDGR-GFCCVEGCSA-N	-1	0	315.337	0.184	20	30		DCEDRM
C[C@@H](NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001364125506	962515286	/nfs/dbraw/zinc/51/52/86/962515286.db2.gz	DPFRNMYZYGLSGN-ZCFIWIBFSA-N	-1	0	319.243	0.071	20	30		DCEDRM
C#CCCCCC(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573302620	962656889	/nfs/dbraw/zinc/65/68/89/962656889.db2.gz	CWUOVEDVKNRHRS-STQMWFEESA-N	-1	0	306.362	0.475	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCCS(=O)(=O)C[C@@H]1C	ZINC001364212874	962681789	/nfs/dbraw/zinc/68/17/89/962681789.db2.gz	OIYTVELRPYTDGA-JTQLQIEISA-N	-1	0	323.374	0.617	20	30		DCEDRM
COc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1C#N	ZINC001364224448	962705375	/nfs/dbraw/zinc/70/53/75/962705375.db2.gz	JJRYUBNNXGICFG-UHFFFAOYSA-N	-1	0	311.301	0.438	20	30		DCEDRM
C=C(Br)CN1CC[C@H](CNC(=O)CNC(=O)[O-])C1	ZINC001573313671	962735501	/nfs/dbraw/zinc/73/55/01/962735501.db2.gz	OSKAKUVTTAOKEK-SECBINFHSA-N	-1	0	320.187	0.601	20	30		DCEDRM
C=C(Br)CN1CC[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573313993	962740721	/nfs/dbraw/zinc/74/07/21/962740721.db2.gz	VHDZMGDQXWTMMM-QMMMGPOBSA-N	-1	0	306.160	0.353	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)COc1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC001573322208	962767730	/nfs/dbraw/zinc/76/77/30/962767730.db2.gz	VPXUFTFVUXROJU-LBPRGKRZSA-N	-1	0	306.318	0.700	20	30		DCEDRM
COC(=O)c1cc(Cn2c(=O)[n-]cc(C#N)c2=O)c(C)s1	ZINC001364284273	962814375	/nfs/dbraw/zinc/81/43/75/962814375.db2.gz	ISTBBWAMMICLEW-UHFFFAOYSA-N	-1	0	305.315	0.613	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(OC)c(F)c1C)C(=O)[O-]	ZINC000275045761	962818412	/nfs/dbraw/zinc/81/84/12/962818412.db2.gz	RQHVKHBGGVCZGJ-VIFPVBQESA-N	-1	0	315.322	0.898	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)C1	ZINC001573343544	962905846	/nfs/dbraw/zinc/90/58/46/962905846.db2.gz	HFHZWYQPZCNQEG-WRWGMCAJSA-N	-1	0	306.362	0.827	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)c(=O)[n-]c1=O	ZINC001364347209	962936095	/nfs/dbraw/zinc/93/60/95/962936095.db2.gz	REWCRWRNFFUSSB-MVWJERBFSA-N	-1	0	317.349	0.308	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H](NC(=O)CNC(=O)[O-])C1CC1	ZINC001573346434	962936983	/nfs/dbraw/zinc/93/69/83/962936983.db2.gz	ACQWIEDVAIJDDX-ABAIWWIYSA-N	-1	0	311.382	0.867	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(O)c1	ZINC001573346535	962939104	/nfs/dbraw/zinc/93/91/04/962939104.db2.gz	BOLBZMWYICXMHI-UKRRQHHQSA-N	-1	0	309.318	0.970	20	30		DCEDRM
C=CCCC1(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CC1	ZINC001573357437	963016718	/nfs/dbraw/zinc/01/67/18/963016718.db2.gz	NZSLYDHLTJSCNW-NEPJUHHUSA-N	-1	0	306.362	0.781	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001573379316	963106663	/nfs/dbraw/zinc/10/66/63/963106663.db2.gz	CAURCNBRGIDPNU-JQWIXIFHSA-N	-1	0	306.318	0.254	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC000313416346	963640751	/nfs/dbraw/zinc/64/07/51/963640751.db2.gz	YQJIWXMTVXDOCH-VMPITWQZSA-N	-1	0	304.327	0.932	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1Cn1nnnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588442457	964057516	/nfs/dbraw/zinc/05/75/16/964057516.db2.gz	QQTSLGRZGONKSO-UTUOFQBUSA-N	-1	0	307.354	0.565	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H](C)C#N)c1[O-]	ZINC001371640874	967194646	/nfs/dbraw/zinc/19/46/46/967194646.db2.gz	YNTONUXJYZTGIA-WPRPVWTQSA-N	-1	0	305.338	0.256	20	30		DCEDRM
C[C@H](C(=O)N1CCCC[C@@H]1CCC(=O)[O-])n1cnc(C#N)n1	ZINC001609696220	970455188	/nfs/dbraw/zinc/45/51/88/970455188.db2.gz	CWTZCODPDDAQBQ-GHMZBOCLSA-N	-1	0	305.338	0.957	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC001604420708	973184378	/nfs/dbraw/zinc/18/43/78/973184378.db2.gz	BJILSRNEBFSFMQ-ZDUSSCGKSA-N	-1	0	303.318	0.306	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC001604440634	973241793	/nfs/dbraw/zinc/24/17/93/973241793.db2.gz	FUMAWIYWZUMHKK-NSHDSACASA-N	-1	0	315.289	0.486	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001605467480	973576058	/nfs/dbraw/zinc/57/60/58/973576058.db2.gz	OQAHIYDIAFZTBR-NSHDSACASA-N	-1	0	318.333	0.092	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)CCCC(=O)[O-])cc1F	ZINC000404285523	973716433	/nfs/dbraw/zinc/71/64/33/973716433.db2.gz	XKGRNNQWWVYNRS-UHFFFAOYSA-N	-1	0	300.311	0.982	20	30		DCEDRM
O=C([O-])Cn1cccc(C(=O)NCC#Cc2ccccc2)c1=O	ZINC001606355255	973808433	/nfs/dbraw/zinc/80/84/33/973808433.db2.gz	NCLQHSXHSALBAX-UHFFFAOYSA-N	-1	0	310.309	0.714	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001605581748	973861231	/nfs/dbraw/zinc/86/12/31/973861231.db2.gz	KVNXBEKFSKFCPR-NWDGAFQWSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CCOc1cc(F)ccc1NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001605585803	973877234	/nfs/dbraw/zinc/87/72/34/973877234.db2.gz	IMESZERFZCYZKX-NSHDSACASA-N	-1	0	307.237	0.896	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1	ZINC001605586155	973880103	/nfs/dbraw/zinc/88/01/03/973880103.db2.gz	RNUGMZYTEFUKJJ-LBPRGKRZSA-N	-1	0	303.274	0.435	20	30		DCEDRM
N#Cc1cc(CNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)ccn1	ZINC001605591995	973891859	/nfs/dbraw/zinc/89/18/59/973891859.db2.gz	MPEQWUYTWFQRHP-DGCLKSJQSA-N	-1	0	303.318	0.839	20	30		DCEDRM
N#Cc1cccc(NC2CN(C(=O)c3cnc(C(=O)[O-])cn3)C2)c1	ZINC001605617543	973934744	/nfs/dbraw/zinc/93/47/44/973934744.db2.gz	LGIVYDNPZLSAIX-UHFFFAOYSA-N	-1	0	323.312	0.983	20	30		DCEDRM
CC#CCCCC(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001528533225	1014326700	/nfs/dbraw/zinc/32/67/00/1014326700.db2.gz	PPDFXIJEPYPBMY-UHFFFAOYSA-N	-1	0	306.366	0.806	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000717775427	977917537	/nfs/dbraw/zinc/91/75/37/977917537.db2.gz	QZJMNZDDPWYVCS-MRVPVSSYSA-N	-1	0	303.361	0.499	20	30		DCEDRM
C[C@@](CCF)(NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001592494519	978289291	/nfs/dbraw/zinc/28/92/91/978289291.db2.gz	AAKDGTKKLXUPAL-HNNXBMFYSA-N	-1	0	321.308	0.607	20	30		DCEDRM
CC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccnc(C#N)c1)C(=O)[O-]	ZINC001594905556	982385563	/nfs/dbraw/zinc/38/55/63/982385563.db2.gz	SAFJPGQHSRWJOZ-TVQRCGJNSA-N	-1	0	319.317	0.726	20	30		DCEDRM
CCCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)C#CC1CC1	ZINC001595880271	982888447	/nfs/dbraw/zinc/88/84/47/982888447.db2.gz	VZDVZYCJHZLNNJ-STQMWFEESA-N	-1	0	306.362	0.475	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)Nc2nc(CC(=O)[O-])cs2)C1	ZINC001574242640	983201436	/nfs/dbraw/zinc/20/14/36/983201436.db2.gz	XMINUBKMWPMMAL-LBPRGKRZSA-N	-1	0	310.335	0.653	20	30		DCEDRM
C#C[C@H](CO)NC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1	ZINC001588370652	983320951	/nfs/dbraw/zinc/32/09/51/983320951.db2.gz	JSLMWAOPAPPJNO-RKDXNWHRSA-N	-1	0	310.281	0.793	20	30		DCEDRM
C#C[C@H](NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1)[C@H]1CCCO1	ZINC001588372876	983334797	/nfs/dbraw/zinc/33/47/97/983334797.db2.gz	VEBZENWGKDFPJW-GXFFZTMASA-N	-1	0	318.333	0.398	20	30		DCEDRM
C#CC1(O)CCN(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CC1	ZINC001588379794	983366051	/nfs/dbraw/zinc/36/60/51/983366051.db2.gz	RXVRJJJDNXAUMA-LPWJVIDDSA-N	-1	0	306.362	0.655	20	30		DCEDRM
C#CC1CCN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1	ZINC001588382777	983374505	/nfs/dbraw/zinc/37/45/05/983374505.db2.gz	IKHDMMJCOZJQSL-CYBMUJFWSA-N	-1	0	318.373	0.572	20	30		DCEDRM
C#CC1CCN(C(=O)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])CC1	ZINC001588383262	983378803	/nfs/dbraw/zinc/37/88/03/983378803.db2.gz	QVGQQXVGQLLKIO-UHFFFAOYSA-N	-1	0	303.318	0.832	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588393185	983397188	/nfs/dbraw/zinc/39/71/88/983397188.db2.gz	COBRFERQVRSGSA-YGRLFVJLSA-N	-1	0	309.322	0.040	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588393447	983398105	/nfs/dbraw/zinc/39/81/05/983398105.db2.gz	FWRBYOQIWZZCIY-NSHDSACASA-N	-1	0	306.318	0.091	20	30		DCEDRM
C#CC[C@H](CCOC)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001588393583	983398711	/nfs/dbraw/zinc/39/87/11/983398711.db2.gz	IGXHUYSFJSVSDB-SECBINFHSA-N	-1	0	300.336	0.420	20	30		DCEDRM
C#CC[C@@H](COC)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588393625	983399277	/nfs/dbraw/zinc/39/92/77/983399277.db2.gz	CWGBHWCVFVYKSV-NSHDSACASA-N	-1	0	322.342	0.573	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)NCc1cc(C(=O)[O-])c(C)n1C	ZINC001588395807	983406851	/nfs/dbraw/zinc/40/68/51/983406851.db2.gz	TVXUSPMLTZXYPW-NSHDSACASA-N	-1	0	307.350	0.869	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC001588398170	983411185	/nfs/dbraw/zinc/41/11/85/983411185.db2.gz	FIFOZVNJSVEHTO-MFKMUULPSA-N	-1	0	323.370	0.786	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)N1CSCCSC1)C(=O)[O-]	ZINC001588398334	983412577	/nfs/dbraw/zinc/41/25/77/983412577.db2.gz	ICPURLMYCYJNDV-NXEZZACHSA-N	-1	0	302.421	0.665	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)[O-]	ZINC001588399662	983416274	/nfs/dbraw/zinc/41/62/74/983416274.db2.gz	WYGAVLALAHPFLB-BJDJZHNGSA-N	-1	0	320.345	0.143	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCSc1ncnc2[nH]cnc21)C(=O)[O-]	ZINC001588404967	983419935	/nfs/dbraw/zinc/41/99/35/983419935.db2.gz	JBKILNITHUXLKE-MRVPVSSYSA-N	-1	0	319.346	0.428	20	30		DCEDRM
C#CC[C@H](NC(=O)CCc1cc(OC)c(O)c(OC)c1)C(=O)[O-]	ZINC001588405939	983423369	/nfs/dbraw/zinc/42/33/69/983423369.db2.gz	VTEDWPSDURUSON-NSHDSACASA-N	-1	0	321.329	0.935	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)C(=O)[O-]	ZINC001588406395	983425001	/nfs/dbraw/zinc/42/50/01/983425001.db2.gz	PGMOFVAOCAYQEV-ZIAGYGMSSA-N	-1	0	314.341	0.741	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)C(=O)[O-]	ZINC001588407752	983429113	/nfs/dbraw/zinc/42/91/13/983429113.db2.gz	OCORCPBWGFQPCE-AGIUHOORSA-N	-1	0	306.362	0.760	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cn(CCOC)c(C)cc1=O)C(=O)[O-]	ZINC001588417173	983439067	/nfs/dbraw/zinc/43/90/67/983439067.db2.gz	ZLFFSKQDFPHMMJ-LBPRGKRZSA-N	-1	0	306.318	0.009	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)C[C@@H]1CCCC(C)(C)O1)C(=O)[O-]	ZINC001588423568	983452943	/nfs/dbraw/zinc/45/29/43/983452943.db2.gz	LCBMLAKFFXSJBF-WDEREUQCSA-N	-1	0	303.380	0.730	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cnn(C2CCCC2)c1)C(=O)[O-]	ZINC001588428460	983462141	/nfs/dbraw/zinc/46/21/41/983462141.db2.gz	PHTZKHBPUAQWKT-LBPRGKRZSA-N	-1	0	311.363	0.753	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC001588435099	983474719	/nfs/dbraw/zinc/47/47/19/983474719.db2.gz	COGQPMLFHDLIAV-SZNGSJQDSA-N	-1	0	323.370	0.837	20	30		DCEDRM
C#CCN(C1CSC1)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC001588464790	983494558	/nfs/dbraw/zinc/49/45/58/983494558.db2.gz	LJSMCBAHXYBJPL-UHFFFAOYSA-N	-1	0	318.401	0.581	20	30		DCEDRM
C#CCN(Cc1ccc(/C=C\C(=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1	ZINC001588469988	983504297	/nfs/dbraw/zinc/50/42/97/983504297.db2.gz	XUYNKEDRWLGCGA-FOQNGQEVSA-N	-1	0	323.370	1.000	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NCCCNc1ncc(C(=O)[O-])cn1	ZINC001588490048	983530368	/nfs/dbraw/zinc/53/03/68/983530368.db2.gz	GGFIJDIYWPRUEF-SNVBAGLBSA-N	-1	0	306.322	0.131	20	30		DCEDRM
C#CCSCCN1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O	ZINC001588506509	983551768	/nfs/dbraw/zinc/55/17/68/983551768.db2.gz	UMQZYAQNAOBNQJ-UHFFFAOYSA-N	-1	0	310.375	0.918	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)C[C@@H](C)CC(=O)[O-])n1	ZINC001588509826	983553917	/nfs/dbraw/zinc/55/39/17/983553917.db2.gz	PGVXGNROENYDPI-CYBMUJFWSA-N	-1	0	321.377	0.992	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)cc1	ZINC001588517488	983564792	/nfs/dbraw/zinc/56/47/92/983564792.db2.gz	BXCHTCXTEPOZOK-CQSZACIVSA-N	-1	0	309.343	0.580	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N(C)[C@@H](COCC)C(=O)[O-])cc1	ZINC001588518092	983567798	/nfs/dbraw/zinc/56/77/98/983567798.db2.gz	PWGFIXAEKYTKGM-ZDUSSCGKSA-N	-1	0	311.359	0.778	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588530158	983583529	/nfs/dbraw/zinc/58/35/29/983583529.db2.gz	SKCFCHJDJCSUNH-RYUDHWBXSA-N	-1	0	308.378	0.980	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)C(=O)OC	ZINC001588541220	983606705	/nfs/dbraw/zinc/60/67/05/983606705.db2.gz	VNPPKUICSYBXNE-GFCCVEGCSA-N	-1	0	323.349	0.986	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)[O-]	ZINC001588547118	983618399	/nfs/dbraw/zinc/61/83/99/983618399.db2.gz	TYJHFDWGQQSNDA-ZETCQYMHSA-N	-1	0	302.308	0.076	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cn(C)nc1CC)C(=O)[O-]	ZINC001588555677	983636555	/nfs/dbraw/zinc/63/65/55/983636555.db2.gz	OXCKWGXMHBOWBV-SNVBAGLBSA-N	-1	0	301.368	0.680	20	30		DCEDRM
C=C(C)COCCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588570021	983650605	/nfs/dbraw/zinc/65/06/05/983650605.db2.gz	SHWOCMMXFBUOSJ-GHMZBOCLSA-N	-1	0	314.338	0.094	20	30		DCEDRM
C=C(C)Cn1c(-c2c[nH]cn2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588578885	983659972	/nfs/dbraw/zinc/65/99/72/983659972.db2.gz	QJRQHUICOWCCTA-LLVKDONJSA-N	-1	0	318.337	0.534	20	30		DCEDRM
C=C(C)CNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC001588585117	983662428	/nfs/dbraw/zinc/66/24/28/983662428.db2.gz	JUJCZFFWWYMRRR-UHFFFAOYSA-N	-1	0	320.301	0.802	20	30		DCEDRM
C=C(C)Cn1c([C@H](O)CC)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588591121	983671526	/nfs/dbraw/zinc/67/15/26/983671526.db2.gz	FUVLWPLYMTYXTR-UTUOFQBUSA-N	-1	0	324.381	0.976	20	30		DCEDRM
CCN(CCC#N)C(=O)CN[C@H](C(=O)[O-])c1cccc(O)c1	ZINC001596299535	983724529	/nfs/dbraw/zinc/72/45/29/983724529.db2.gz	NMWGFSRTTBNPIE-AWEZNQCLSA-N	-1	0	305.334	0.870	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCc2c(nc(C)n2CCO)C1	ZINC001588622719	983725085	/nfs/dbraw/zinc/72/50/85/983725085.db2.gz	DEOHAYBETGXXQV-GFCCVEGCSA-N	-1	0	321.377	0.578	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F	ZINC001596299923	983727499	/nfs/dbraw/zinc/72/74/99/983727499.db2.gz	IVRAMVLQEZUOMB-HTQZYQBOSA-N	-1	0	311.310	0.022	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)CCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588643365	983766210	/nfs/dbraw/zinc/76/62/10/983766210.db2.gz	GZMPDLHQLILVAP-RYUDHWBXSA-N	-1	0	308.378	0.980	20	30		DCEDRM
C=C1CCC(Cn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)CC1	ZINC001588649740	983770251	/nfs/dbraw/zinc/77/02/51/983770251.db2.gz	ABAKUTWYCUMXLF-GFCCVEGCSA-N	-1	0	307.354	0.709	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1	ZINC001588681482	983839908	/nfs/dbraw/zinc/83/99/08/983839908.db2.gz	XKTBHXPSOOTDOV-XHDPSFHLSA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC001588692472	983882558	/nfs/dbraw/zinc/88/25/58/983882558.db2.gz	CESIUUVOYODEGJ-VIFPVBQESA-N	-1	0	322.317	0.649	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588692657	983884598	/nfs/dbraw/zinc/88/45/98/983884598.db2.gz	GQGDKOJCOUQYCO-LLVKDONJSA-N	-1	0	306.318	0.569	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC)cc1C(=O)[O-]	ZINC001588743723	984039301	/nfs/dbraw/zinc/03/93/01/984039301.db2.gz	CDSYENYVSSDDPH-LLVKDONJSA-N	-1	0	320.345	0.939	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001588744952	984047255	/nfs/dbraw/zinc/04/72/55/984047255.db2.gz	SJIVTXAJHKDWBI-NSHDSACASA-N	-1	0	322.317	0.142	20	30		DCEDRM
C=CC[C@@H](OC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-]	ZINC001588752154	984080352	/nfs/dbraw/zinc/08/03/52/984080352.db2.gz	UTNPFXAXSKGBKO-MWLCHTKSSA-N	-1	0	320.363	0.541	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(=O)[O-]	ZINC001588793829	984222422	/nfs/dbraw/zinc/22/24/22/984222422.db2.gz	CPWCRXPWYAINLY-WUZDVNQZSA-N	-1	0	323.345	0.633	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC001588798078	984233399	/nfs/dbraw/zinc/23/33/99/984233399.db2.gz	SQVSWZAHBFLQRS-QWRGUYRKSA-N	-1	0	303.384	0.722	20	30		DCEDRM
C=CCCn1cc(C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])nn1	ZINC001588817184	984274941	/nfs/dbraw/zinc/27/49/41/984274941.db2.gz	CPOPAMSHMINKBN-GFCCVEGCSA-N	-1	0	310.354	0.804	20	30		DCEDRM
C=CCCn1cc(CN2CC[C@@H](C(=O)[O-])C[C@H]2C(=O)OC)nn1	ZINC001588820004	984280933	/nfs/dbraw/zinc/28/09/33/984280933.db2.gz	MEPIBAXXJBKLFA-YPMHNXCESA-N	-1	0	322.365	0.692	20	30		DCEDRM
C#CCN(C)c1nnc(-c2cc(=O)n(C)[n-]2)n1CCCOCC	ZINC001524601990	1015022297	/nfs/dbraw/zinc/02/22/97/1015022297.db2.gz	OWGCKHCXRXZDMC-UHFFFAOYSA-N	-1	0	318.381	0.880	20	30		DCEDRM
C=CCNC(=O)[C@H](C)n1cc(CN2CCCC[C@@H]2C(=O)[O-])nn1	ZINC001588838281	984336448	/nfs/dbraw/zinc/33/64/48/984336448.db2.gz	CYJNFWHNTBQIRF-WCQYABFASA-N	-1	0	321.381	0.580	20	30		DCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001588838888	984342594	/nfs/dbraw/zinc/34/25/94/984342594.db2.gz	LJXNUKBIOIKPJB-JTQLQIEISA-N	-1	0	307.302	0.998	20	30		DCEDRM
C=CCN1CCC(NS(=O)(=O)CC2(C(=O)[O-])CC2)CC1	ZINC001588839452	984347032	/nfs/dbraw/zinc/34/70/32/984347032.db2.gz	RSMILUTWFDNSML-UHFFFAOYSA-N	-1	0	302.396	0.421	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C(=O)[O-]	ZINC001588850969	984382023	/nfs/dbraw/zinc/38/20/23/984382023.db2.gz	MHWCYUSGYVKBJV-MWLCHTKSSA-N	-1	0	310.306	0.170	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@]12CCC[C@@]1(OC)OCC2)C(=O)[O-]	ZINC001588856287	984399248	/nfs/dbraw/zinc/39/92/48/984399248.db2.gz	GKXVUZAOVUIJCO-NILFDRSVSA-N	-1	0	313.350	0.692	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cn(C2CCOCC2)nn1)C(=O)[O-]	ZINC001588860015	984410038	/nfs/dbraw/zinc/41/00/38/984410038.db2.gz	GBBIYNIYYWWGNL-GFCCVEGCSA-N	-1	0	324.337	0.015	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccsc1C(=O)[O-])C(=O)OC	ZINC001588860229	984411695	/nfs/dbraw/zinc/41/16/95/984411695.db2.gz	NBIYHIRVZFWQKR-SECBINFHSA-N	-1	0	313.331	0.920	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C(N)=S)cc1)C(=O)[O-]	ZINC001588861845	984416936	/nfs/dbraw/zinc/41/69/36/984416936.db2.gz	NDRWUNRTTBYIDS-NSHDSACASA-N	-1	0	308.359	0.706	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc2nc[nH]c(=O)c21)C(=O)[O-]	ZINC001588862331	984418397	/nfs/dbraw/zinc/41/83/97/984418397.db2.gz	VWIBGBPRUDONFS-NSHDSACASA-N	-1	0	317.301	0.721	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)CC1(OC)CCCC1)C(=O)[O-]	ZINC001588865832	984420693	/nfs/dbraw/zinc/42/06/93/984420693.db2.gz	CSRBEJAUDPWMEL-LLVKDONJSA-N	-1	0	321.395	0.521	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC001588867169	984430880	/nfs/dbraw/zinc/43/08/80/984430880.db2.gz	VJZDNZZKXOQRGS-VIFPVBQESA-N	-1	0	316.360	0.554	20	30		DCEDRM
C=CCSCCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588879625	984458445	/nfs/dbraw/zinc/45/84/45/984458445.db2.gz	HUKDINWUWXUJIC-NXEZZACHSA-N	-1	0	316.379	0.421	20	30		DCEDRM
C=CCn1c(CC(F)F)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588896927	984505732	/nfs/dbraw/zinc/50/57/32/984505732.db2.gz	GGLQBOUUKAUYQF-VIFPVBQESA-N	-1	0	316.308	0.952	20	30		DCEDRM
C=CCn1c(CC)nnc1N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588897512	984510917	/nfs/dbraw/zinc/51/09/17/984510917.db2.gz	LDZXMNCIZJRXBO-NXEZZACHSA-N	-1	0	308.338	0.337	20	30		DCEDRM
C=CCn1cc(C(=O)N(C)[C@@H](COC2CCC2)C(=O)[O-])nn1	ZINC001588910156	984547872	/nfs/dbraw/zinc/54/78/72/984547872.db2.gz	NGVIQVFXPHRVDO-LBPRGKRZSA-N	-1	0	308.338	0.558	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC001588916994	984564601	/nfs/dbraw/zinc/56/46/01/984564601.db2.gz	KHHVQFRQZQVFNO-USZNOCQGSA-N	-1	0	311.334	0.442	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001588924657	984582244	/nfs/dbraw/zinc/58/22/44/984582244.db2.gz	AGTAVOFDOGYDKJ-GFCCVEGCSA-N	-1	0	311.359	0.366	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC001588926178	984591976	/nfs/dbraw/zinc/59/19/76/984591976.db2.gz	MCMAMZVRZLCGFU-GFCCVEGCSA-N	-1	0	318.329	0.522	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588927033	984595963	/nfs/dbraw/zinc/59/59/63/984595963.db2.gz	JKJBWYNXKXBPPQ-TXEJJXNPSA-N	-1	0	316.361	0.849	20	30		DCEDRM
CC(=O)N/C(=C/c1ccccc1)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001589099328	985305853	/nfs/dbraw/zinc/30/58/53/985305853.db2.gz	WYHGVLVXLZDEMH-SDNWHVSQSA-N	-1	0	315.329	0.990	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CC[N@@H+]1CCC(=O)[O-]	ZINC001594492517	985603242	/nfs/dbraw/zinc/60/32/42/985603242.db2.gz	CCKCSOLMQFTHOF-LLVKDONJSA-N	-1	0	317.345	0.885	20	30		DCEDRM
CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001384597043	985689366	/nfs/dbraw/zinc/68/93/66/985689366.db2.gz	PDCQJWXYVGXARE-RKDXNWHRSA-N	-1	0	307.354	0.550	20	30		DCEDRM
Cc1c(C#N)c(=O)n(Cc2cccc(C(=O)[O-])c2C#N)c(=O)n1C	ZINC001599973828	986054905	/nfs/dbraw/zinc/05/49/05/986054905.db2.gz	CWXBXLRGFQNVTN-UHFFFAOYSA-N	-1	0	324.296	0.345	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)CC1(C)C	ZINC001589328319	986156538	/nfs/dbraw/zinc/15/65/38/986156538.db2.gz	ADYXOMYSCLSTTP-VHSXEESVSA-N	-1	0	317.349	0.665	20	30		DCEDRM
C[C@H](C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001589334126	986198029	/nfs/dbraw/zinc/19/80/29/986198029.db2.gz	AMNUXTBKKZZBEQ-MFKMUULPSA-N	-1	0	313.317	0.995	20	30		DCEDRM
C[C@H]1Cc2cccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c2O1	ZINC001594620154	986655530	/nfs/dbraw/zinc/65/55/30/986655530.db2.gz	MJMAXNSFAZWDEB-VIFPVBQESA-N	-1	0	310.331	0.609	20	30		DCEDRM
C[C@@H](C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001589422614	986667174	/nfs/dbraw/zinc/66/71/74/986667174.db2.gz	LTGGWJWAMKSEIX-AXFHLTTASA-N	-1	0	305.338	0.860	20	30		DCEDRM
C[C@@H]1OC(=O)N[C@H]1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001594630692	986721955	/nfs/dbraw/zinc/72/19/55/986721955.db2.gz	BGCSCZQMMWDZHO-WHGOUJPWSA-N	-1	0	304.258	0.724	20	30		DCEDRM
C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)C#CC1CC1	ZINC001594657800	986922168	/nfs/dbraw/zinc/92/21/68/986922168.db2.gz	UYNIOQVJMNTLGZ-GXSJLCMTSA-N	-1	0	310.375	0.281	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C[C@H]21	ZINC001589685254	987725393	/nfs/dbraw/zinc/72/53/93/987725393.db2.gz	WMGNBZRNCMAJJL-SVPLCASGSA-N	-1	0	318.373	0.330	20	30		DCEDRM
CCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cnc[nH]c1=O	ZINC001387448159	987837680	/nfs/dbraw/zinc/83/76/80/987837680.db2.gz	SVTBKQFKEBONKK-SNVBAGLBSA-N	-1	0	305.338	0.310	20	30		DCEDRM
CCc1ccc([C@@H](C#N)NC(=O)Cn2cc(C(=O)[O-])nn2)cc1	ZINC001597508388	988087379	/nfs/dbraw/zinc/08/73/79/988087379.db2.gz	PBTHEFZHNJGVMN-GFCCVEGCSA-N	-1	0	313.317	0.920	20	30		DCEDRM
CC(C)C#CC(=O)NCC[C@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001590927590	990934054	/nfs/dbraw/zinc/93/40/54/990934054.db2.gz	CTKUMJFPGWFPOW-NSHDSACASA-N	-1	0	304.350	0.563	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)[C@@H]1C	ZINC001590928231	990940283	/nfs/dbraw/zinc/94/02/83/990940283.db2.gz	XTQPRJOICLYWDD-NEPJUHHUSA-N	-1	0	316.361	0.918	20	30		DCEDRM
CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001598364255	991505378	/nfs/dbraw/zinc/50/53/78/991505378.db2.gz	DSGNSVDSMSOFRM-GFCCVEGCSA-N	-1	0	311.319	0.083	20	30		DCEDRM
CC(C)C[C@H](C(=O)[O-])N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC001591123034	991800939	/nfs/dbraw/zinc/80/09/39/991800939.db2.gz	KCGYOBCHZQEHLZ-DMDPSCGWSA-N	-1	0	300.380	0.356	20	30		DCEDRM
CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)C(=O)[O-]	ZINC001591144731	991880977	/nfs/dbraw/zinc/88/09/77/991880977.db2.gz	XGGWDGFILCYQDF-JTQLQIEISA-N	-1	0	318.333	0.755	20	30		DCEDRM
CS(=O)(=O)C1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001599747103	991943498	/nfs/dbraw/zinc/94/34/98/991943498.db2.gz	DAKOHMJMTGDAPJ-UHFFFAOYSA-N	-1	0	309.347	0.665	20	30		DCEDRM
CN(C)c1cc(C(=O)[O-])ccc1NC(=O)C(=O)N(C)CCC#N	ZINC001598468890	991993658	/nfs/dbraw/zinc/99/36/58/991993658.db2.gz	UGHQCTARJMKYJH-UHFFFAOYSA-N	-1	0	318.333	0.761	20	30		DCEDRM
CS(=O)(=O)NC1CC(Nc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001599757795	992077656	/nfs/dbraw/zinc/07/76/56/992077656.db2.gz	MMAHBZQCVLETIS-UHFFFAOYSA-N	-1	0	310.335	0.144	20	30		DCEDRM
CNS(=O)(=O)C1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001598669010	994723028	/nfs/dbraw/zinc/72/30/28/994723028.db2.gz	GLWPKLDMDGTLIL-UHFFFAOYSA-N	-1	0	324.362	0.169	20	30		DCEDRM
CNc1nc(C)cc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001598680819	994925506	/nfs/dbraw/zinc/92/55/06/994925506.db2.gz	APFNIXYYJTWLPX-UHFFFAOYSA-N	-1	0	303.322	0.657	20	30		DCEDRM
C=CCCCC(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001510678600	1015921941	/nfs/dbraw/zinc/92/19/41/1015921941.db2.gz	JMRUMGPQYMVIKH-SECBINFHSA-N	-1	0	323.353	0.216	20	30		DCEDRM
C[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)NCC(=O)[O-]	ZINC001593486275	995451134	/nfs/dbraw/zinc/45/11/34/995451134.db2.gz	YBZYFGFVUWMPEF-ZJUUUORDSA-N	-1	0	320.301	0.458	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cc(C#N)c[nH]1	ZINC001598746790	995603313	/nfs/dbraw/zinc/60/33/13/995603313.db2.gz	TXNZFOIEDKPEQH-ONGXEEELSA-N	-1	0	305.290	0.365	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](O)CN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001598757605	995739217	/nfs/dbraw/zinc/73/92/17/995739217.db2.gz	POHVNJVUNRNYRY-IUCAKERBSA-N	-1	0	305.290	0.012	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccnc(C#N)c1	ZINC001598770784	995882008	/nfs/dbraw/zinc/88/20/08/995882008.db2.gz	QIZXOGAYHYIQKO-CMPLNLGQSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(C#N)o2)C1	ZINC001598774013	995910981	/nfs/dbraw/zinc/91/09/81/995910981.db2.gz	PARSBAWBVPKZRV-PSASIEDQSA-N	-1	0	306.274	0.630	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@@H]1C(=O)[O-]	ZINC001598819571	996310111	/nfs/dbraw/zinc/31/01/11/996310111.db2.gz	CMWXFWCNSCSSNZ-NWDGAFQWSA-N	-1	0	302.286	0.504	20	30		DCEDRM
COC(=O)[C@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1C(=O)[O-]	ZINC001598829760	996423191	/nfs/dbraw/zinc/42/31/91/996423191.db2.gz	VLIPOMYMISZQQO-BDAKNGLRSA-N	-1	0	309.709	0.917	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC(CC#N)CC2)C1	ZINC001593762401	996429860	/nfs/dbraw/zinc/42/98/60/996429860.db2.gz	LGCJUWIDRYNKPP-INIZCTEOSA-N	-1	0	321.377	0.852	20	30		DCEDRM
N#Cc1ccc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)[nH]1	ZINC001404229661	996841784	/nfs/dbraw/zinc/84/17/84/996841784.db2.gz	NJUZXFOMMFVKGM-UHFFFAOYSA-N	-1	0	315.337	0.104	20	30		DCEDRM
COC(=O)c1cc(C#N)c(=O)n(Cc2oncc2C(=O)[O-])c1	ZINC001598918449	997520661	/nfs/dbraw/zinc/52/06/61/997520661.db2.gz	HDFODHSAPPUOHW-UHFFFAOYSA-N	-1	0	303.230	0.241	20	30		DCEDRM
CON=Cc1ccc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])cc1	ZINC001599321239	997585006	/nfs/dbraw/zinc/58/50/06/997585006.db2.gz	WDMUIIAQVJPLTO-GFCCVEGCSA-N	-1	0	322.317	0.613	20	30		DCEDRM
C#C[C@@H](C)NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O	ZINC001467368186	1016160833	/nfs/dbraw/zinc/16/08/33/1016160833.db2.gz	MBTVHEPZEJNQLX-SECBINFHSA-N	-1	0	301.277	0.625	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCCN(O)C1=O	ZINC001599372177	998428667	/nfs/dbraw/zinc/42/86/67/998428667.db2.gz	ASFSNQHGRFBCJR-JTQLQIEISA-N	-1	0	323.305	0.895	20	30		DCEDRM
CCOC(=O)C[C@H](CO)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001468557736	1016262374	/nfs/dbraw/zinc/26/23/74/1016262374.db2.gz	JAYIODFDRGQBDH-SNVBAGLBSA-N	-1	0	307.306	0.011	20	30		DCEDRM
C[C@@H]1C[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c2ncnn21	ZINC001594253621	998976567	/nfs/dbraw/zinc/97/65/67/998976567.db2.gz	RJEWIFUJTJTVCJ-NXEZZACHSA-N	-1	0	318.337	0.684	20	30		DCEDRM
COC(=O)NC1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001418561095	1000346687	/nfs/dbraw/zinc/34/66/87/1000346687.db2.gz	DDPZGEPPSUWEDU-UHFFFAOYSA-N	-1	0	318.333	0.928	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@H]2CCCC23CC3)c(=O)[n-]c1=O	ZINC001418838572	1000562309	/nfs/dbraw/zinc/56/23/09/1000562309.db2.gz	JUGGTVXPVJUGHJ-LLVKDONJSA-N	-1	0	302.334	0.517	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cccnc2Cl)c(=O)[n-]c1=O	ZINC001470362197	1016424320	/nfs/dbraw/zinc/42/43/20/1016424320.db2.gz	ZVHVLYYZVQUKEW-UHFFFAOYSA-N	-1	0	319.708	0.299	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(-n3cnnn3)cn2)c1	ZINC001546332581	1016566343	/nfs/dbraw/zinc/56/63/43/1016566343.db2.gz	IUXYWTFKTLORNG-UHFFFAOYSA-N	-1	0	307.273	0.887	20	30		DCEDRM
CC(C)c1nccn1CCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421267967	1003490574	/nfs/dbraw/zinc/49/05/74/1003490574.db2.gz	BXKVXROEDJUHMN-UHFFFAOYSA-N	-1	0	302.338	0.377	20	30		DCEDRM
CCCCn1ncc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)c1C	ZINC001472735734	1016851721	/nfs/dbraw/zinc/85/17/21/1016851721.db2.gz	OGZPVQWETQNEGO-UHFFFAOYSA-N	-1	0	302.338	0.994	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC(NC(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC001427537440	1004451992	/nfs/dbraw/zinc/45/19/92/1004451992.db2.gz	JKKLJOOTDMCDFN-MRVPVSSYSA-N	-1	0	305.338	0.304	20	30		DCEDRM
Cn1c(Cn2c(=O)[n-]cc(C#N)c2=O)nc2cc(Cl)ccc21	ZINC001473048500	1016903162	/nfs/dbraw/zinc/90/31/62/1016903162.db2.gz	ZXJCUOAJMNLKDA-UHFFFAOYSA-N	-1	0	315.720	0.997	20	30		DCEDRM
C#CCCCC(=O)N(C)C[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001514596968	1016986977	/nfs/dbraw/zinc/98/69/77/1016986977.db2.gz	XQNNFNYDCRJOHN-GFCCVEGCSA-N	-1	0	318.377	0.900	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@@H]2CCCCS2)c(=O)[n-]c1=O	ZINC001417689770	1005868760	/nfs/dbraw/zinc/86/87/60/1005868760.db2.gz	OSBUZMYCCXTVEW-NSHDSACASA-N	-1	0	322.390	0.613	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@H]2CCC[C@@H]2C2CC2)c(=O)[n-]c1=O	ZINC001418005050	1005953161	/nfs/dbraw/zinc/95/31/61/1005953161.db2.gz	BSFRLNDCMWCXAS-DGCLKSJQSA-N	-1	0	316.361	0.763	20	30		DCEDRM
N#CC1(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CCC1	ZINC001451671194	1006352869	/nfs/dbraw/zinc/35/28/69/1006352869.db2.gz	WYQJCQAREZLVMR-UHFFFAOYSA-N	-1	0	313.317	0.690	20	30		DCEDRM
CC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(=O)NC	ZINC001436820510	1006392350	/nfs/dbraw/zinc/39/23/50/1006392350.db2.gz	UKZUEJORCLPGAI-SECBINFHSA-N	-1	0	308.363	0.635	20	30		DCEDRM
C[C@H]1SCC[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001452852851	1007116326	/nfs/dbraw/zinc/11/63/26/1007116326.db2.gz	IPJKJQLKADJLIU-SCZZXKLOSA-N	-1	0	308.363	0.221	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](CNC(=O)[C@H](C)C#N)[C@H](C)C2)c1[O-]	ZINC001453282606	1007379121	/nfs/dbraw/zinc/37/91/21/1007379121.db2.gz	FMJIFHAAOZCTHU-FXPVBKGRSA-N	-1	0	319.365	0.408	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C23CCC(CC2)CC3)c(=O)[n-]c1=O	ZINC001453840611	1008753496	/nfs/dbraw/zinc/75/34/96/1008753496.db2.gz	LZKBWKXIMMJLLA-UHFFFAOYSA-N	-1	0	316.361	0.907	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2sccc2Cl)c(=O)[n-]c1=O	ZINC001453845692	1008758187	/nfs/dbraw/zinc/75/81/87/1008758187.db2.gz	UBXFAGFDFKRXQX-UHFFFAOYSA-N	-1	0	324.749	0.965	20	30		DCEDRM
CCN(C(=O)c1[n-]c(=O)c(C#N)cc1C)[C@@H]1CCS(=O)(=O)C1	ZINC001433626209	1009015906	/nfs/dbraw/zinc/01/59/06/1009015906.db2.gz	NDJXXXDRPCBWCW-LLVKDONJSA-N	-1	0	323.374	0.617	20	30		DCEDRM
CC(=O)NC[C@H]1CCCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001433627665	1009018655	/nfs/dbraw/zinc/01/86/55/1009018655.db2.gz	UIBXTTYOYJPFHK-GFCCVEGCSA-N	-1	0	316.361	0.956	20	30		DCEDRM
CC(C)CC[C@@](C)(O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001433730690	1009125344	/nfs/dbraw/zinc/12/53/44/1009125344.db2.gz	DNRLYBOCSCCKKJ-OAHLLOKOSA-N	-1	0	322.365	0.124	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)NCC3(C#N)CC3)cc2=O)n1	ZINC001433953059	1009393514	/nfs/dbraw/zinc/39/35/14/1009393514.db2.gz	SJUVWXQXQWPQTE-UHFFFAOYSA-N	-1	0	312.333	0.606	20	30		DCEDRM
C[C@H](C#N)C(=O)N(C)CCN(C)Cc1cc(=O)n2[n-]ccc2n1	ZINC001422151700	1009556067	/nfs/dbraw/zinc/55/60/67/1009556067.db2.gz	HHZFSMAHNWRMPR-LLVKDONJSA-N	-1	0	316.365	0.072	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H]2CCCCS2)c(=O)[n-]c1=O	ZINC001434207265	1009662881	/nfs/dbraw/zinc/66/28/81/1009662881.db2.gz	KVPZYGVQPIHGLD-SNVBAGLBSA-N	-1	0	308.363	0.222	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)c1nnnn1C1CC1	ZINC001434299774	1009734836	/nfs/dbraw/zinc/73/48/36/1009734836.db2.gz	CHRIUGGXDJDPPM-QMMMGPOBSA-N	-1	0	313.321	0.780	20	30		DCEDRM
N#Cc1csc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)n1	ZINC001434395420	1009897009	/nfs/dbraw/zinc/89/70/09/1009897009.db2.gz	AEXHZIAEZLRZJZ-UHFFFAOYSA-N	-1	0	308.323	0.114	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccnn2C2CCC2)c(=O)[n-]c1=O	ZINC001434412689	1009923387	/nfs/dbraw/zinc/92/33/87/1009923387.db2.gz	LJQIQFXDVJSSHE-UHFFFAOYSA-N	-1	0	314.305	0.381	20	30		DCEDRM
COC(=O)CC[C@@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001434446001	1009963636	/nfs/dbraw/zinc/96/36/36/1009963636.db2.gz	JXTHUNFLOOPKBI-JTQLQIEISA-N	-1	0	320.349	0.115	20	30		DCEDRM
C#CCCCCC(=O)NCC1(NC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001535217930	1011861636	/nfs/dbraw/zinc/86/16/36/1011861636.db2.gz	HRATXEZLKZXJQP-UHFFFAOYSA-N	-1	0	318.377	0.996	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]CC1(C#N)CCC1	ZINC001424253173	1012245286	/nfs/dbraw/zinc/24/52/86/1012245286.db2.gz	UZTJVNVXQICZAN-UHFFFAOYSA-N	-1	0	315.376	0.902	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2nc3c(cccc3F)[nH]2)c(C#N)c1=O	ZINC001458558502	1012215858	/nfs/dbraw/zinc/21/58/58/1012215858.db2.gz	XKYJRBQZDWDNPD-UHFFFAOYSA-N	-1	0	314.280	0.573	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C=Cc3ccco3)C2)c(=O)[n-]c1=O	ZINC001558805697	1012384801	/nfs/dbraw/zinc/38/48/01/1012384801.db2.gz	TVGAYACNVXHHCT-ARJAWSKDSA-N	-1	0	312.285	0.510	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CCOc2ccc([N+](=O)[O-])cc2)c1=O	ZINC001559428539	1012422214	/nfs/dbraw/zinc/42/22/14/1012422214.db2.gz	LVBCCIGGUYEVBV-UHFFFAOYSA-N	-1	0	302.246	0.395	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@](C)(NC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001432588128	1012649156	/nfs/dbraw/zinc/64/91/56/1012649156.db2.gz	VLDAHKOTMFMRNZ-XLKFXECMSA-N	-1	0	305.338	0.304	20	30		DCEDRM
CCOC(=O)[C@H](NCc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1	ZINC001460075262	1012853102	/nfs/dbraw/zinc/85/31/02/1012853102.db2.gz	GJWAGTHPUVOILC-CYBMUJFWSA-N	-1	0	315.333	0.738	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1C[C@H](NCC#N)C1	ZINC001480172762	1018276730	/nfs/dbraw/zinc/27/67/30/1018276730.db2.gz	ZZDNOPOFGMGEQY-ZKCHVHJHSA-N	-1	0	306.288	0.204	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001498147534	1018692023	/nfs/dbraw/zinc/69/20/23/1018692023.db2.gz	QZMZWIOMEOJZPC-JTQLQIEISA-N	-1	0	322.365	0.346	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001501489141	1019233084	/nfs/dbraw/zinc/23/30/84/1019233084.db2.gz	IOSHUDMFWNEEPN-SNVBAGLBSA-N	-1	0	324.381	0.233	20	30		DCEDRM
COc1c(NC(=O)C(=O)N(C)CCC#N)cccc1C(=O)[O-]	ZINC001607024299	1170357491	/nfs/dbraw/zinc/35/74/91/1170357491.db2.gz	BJAMNAASVWIBDL-UHFFFAOYSA-N	-1	0	305.290	0.704	20	30		DCEDRM
CSC[C@](C)(C#N)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC001607392758	1170444991	/nfs/dbraw/zinc/44/49/91/1170444991.db2.gz	LFTVIPNKXCFAOX-JTQLQIEISA-N	-1	0	304.349	0.901	20	30		DCEDRM
Cc1csc2ncc(C(=O)N(CC#N)CC(=O)[O-])c(=O)n12	ZINC001610549113	1171251911	/nfs/dbraw/zinc/25/19/11/1171251911.db2.gz	QJXWUHIDMDJYIR-UHFFFAOYSA-N	-1	0	306.303	0.115	20	30		DCEDRM
C#CCN(CC(=O)N(C)Cc1nc(=O)o[n-]1)C(=O)OC(C)(C)C	ZINC001643705673	1171982541	/nfs/dbraw/zinc/98/25/41/1171982541.db2.gz	NRQKWVXWJBFOJU-UHFFFAOYSA-N	-1	0	324.337	0.192	20	30		DCEDRM
Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000275122786	238305486	/nfs/dbraw/zinc/30/54/86/238305486.db2.gz	UEZXJVUPSSVHEO-LLVKDONJSA-N	-1	0	314.367	0.386	20	30		DCEDRM
COCC[C@@H](CO)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000281472823	216324937	/nfs/dbraw/zinc/32/49/37/216324937.db2.gz	UVVHJTLLBPRDDN-VIFPVBQESA-N	-1	0	320.317	0.512	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1	ZINC000566859206	291326541	/nfs/dbraw/zinc/32/65/41/291326541.db2.gz	NRPFFGMQVDDAEP-QWHCGFSZSA-N	-1	0	324.358	0.467	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(C(=O)NC)cc1	ZINC000493787485	241158143	/nfs/dbraw/zinc/15/81/43/241158143.db2.gz	LSHWNIFLBFEXCT-JXMROGBWSA-N	-1	0	320.370	0.529	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1sc(C)nc1C)C(=O)[O-]	ZINC000274927272	212039800	/nfs/dbraw/zinc/03/98/00/212039800.db2.gz	BURDKUVNQFBVOV-VIFPVBQESA-N	-1	0	302.377	0.905	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)c1cccc(C)c1C#N)C(=O)[O-]	ZINC000274917696	212032395	/nfs/dbraw/zinc/03/23/95/212032395.db2.gz	AHZZPTPIMQDRFK-LBPRGKRZSA-N	-1	0	324.358	0.967	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@H]1C(=O)[O-]	ZINC000572761962	291588064	/nfs/dbraw/zinc/58/80/64/291588064.db2.gz	OHEHRDPWIMOKJU-MWLCHTKSSA-N	-1	0	316.317	0.461	20	30		DCEDRM
C[C@@](CO)(CNS(=O)(=O)c1cccc(C#N)c1)CC(=O)[O-]	ZINC000275676837	130361207	/nfs/dbraw/zinc/36/12/07/130361207.db2.gz	QGAOTTNEYYLPRY-ZDUSSCGKSA-N	-1	0	312.347	0.310	20	30		DCEDRM
C#CCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000092192924	395729606	/nfs/dbraw/zinc/72/96/06/395729606.db2.gz	VPISTDGLXXVDPG-LBPRGKRZSA-N	-1	0	324.358	0.923	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000273521113	395927399	/nfs/dbraw/zinc/92/73/99/395927399.db2.gz	QLLCONNEZCDUFD-UHFFFAOYSA-N	-1	0	314.319	0.631	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])ccc1F	ZINC000071238426	396110912	/nfs/dbraw/zinc/11/09/12/396110912.db2.gz	ASXGONUDORYCLN-JTQLQIEISA-N	-1	0	316.335	0.846	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cccc(-n3cccn3)n2)[n-]c1C#N	ZINC000076990345	396211062	/nfs/dbraw/zinc/21/10/62/396211062.db2.gz	IOOXRHQDMNDVDV-UHFFFAOYSA-N	-1	0	304.273	0.986	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000263568952	396220933	/nfs/dbraw/zinc/22/09/33/396220933.db2.gz	YWOFXCVRUIQIOF-VIFPVBQESA-N	-1	0	312.322	0.934	20	30		DCEDRM
C[C@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)C(=O)[O-]	ZINC000594530460	396484495	/nfs/dbraw/zinc/48/44/95/396484495.db2.gz	YTSWDFMLHHPAJS-LLVKDONJSA-N	-1	0	317.349	0.506	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594544851	396485649	/nfs/dbraw/zinc/48/56/49/396485649.db2.gz	MWJHHDDJMYEBOP-SNVBAGLBSA-N	-1	0	303.318	0.354	20	30		DCEDRM
CO[C@@H](C[C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-])C1CC1	ZINC000594574316	396487885	/nfs/dbraw/zinc/48/78/85/396487885.db2.gz	XMBQBFGQCMSRMZ-RYUDHWBXSA-N	-1	0	318.395	0.868	20	30		DCEDRM
N#CCC1(CNC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CC1	ZINC000595276659	396577331	/nfs/dbraw/zinc/57/73/31/396577331.db2.gz	SVDHQRBSYOMQMO-UHFFFAOYSA-N	-1	0	321.377	0.900	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F)c1	ZINC000562231442	396652889	/nfs/dbraw/zinc/65/28/89/396652889.db2.gz	SZADNFWPVIBBEC-QMMMGPOBSA-N	-1	0	319.289	0.588	20	30		DCEDRM
N#Cc1cc2c(nc1N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)CCOC2	ZINC000595971348	396699847	/nfs/dbraw/zinc/69/98/47/396699847.db2.gz	FHRFYUFOQOFQJO-MLGOLLRUSA-N	-1	0	315.329	0.563	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000596021411	396708517	/nfs/dbraw/zinc/70/85/17/396708517.db2.gz	CEVMRMMRLBYPSR-CMPLNLGQSA-N	-1	0	317.411	0.803	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000629777028	396829769	/nfs/dbraw/zinc/82/97/69/396829769.db2.gz	ZVYACKRPUVJOGT-NWDGAFQWSA-N	-1	0	312.366	0.217	20	30		DCEDRM
CN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1(C#N)CCC1	ZINC000596911811	396853466	/nfs/dbraw/zinc/85/34/66/396853466.db2.gz	ZZMICSNSBFPDIQ-UHFFFAOYSA-N	-1	0	309.347	0.558	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C(N)=O)n[nH]1	ZINC000611497944	396875649	/nfs/dbraw/zinc/87/56/49/396875649.db2.gz	LMLCILVCCDADSH-UHFFFAOYSA-N	-1	0	305.319	0.490	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)C(=O)[O-]	ZINC000591459145	396924045	/nfs/dbraw/zinc/92/40/45/396924045.db2.gz	NOCVVGUREGPRMK-QWRGUYRKSA-N	-1	0	317.345	0.915	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000591563609	396928698	/nfs/dbraw/zinc/92/86/98/396928698.db2.gz	UIYVDJBGGTVYIP-AWEZNQCLSA-N	-1	0	323.255	0.927	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1C#N	ZINC000591564520	396929121	/nfs/dbraw/zinc/92/91/21/396929121.db2.gz	VSWZYCKDYNIWCJ-LBPRGKRZSA-N	-1	0	317.301	0.117	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-]	ZINC000630326354	396984630	/nfs/dbraw/zinc/98/46/30/396984630.db2.gz	OQMHDHRBKLIGGQ-CYBMUJFWSA-N	-1	0	315.329	0.932	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)Cn1cnc2sccc2c1=O)C(=O)[O-]	ZINC000630318203	396984775	/nfs/dbraw/zinc/98/47/75/396984775.db2.gz	XBBFEGJFZNSGTB-JTQLQIEISA-N	-1	0	321.358	0.994	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)CC)C(=O)[O-]	ZINC000630326669	396984895	/nfs/dbraw/zinc/98/48/95/396984895.db2.gz	RSWIEFDRQBEGHM-ZJUUUORDSA-N	-1	0	300.380	0.834	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC000344554646	397004731	/nfs/dbraw/zinc/00/47/31/397004731.db2.gz	QTOZQALKAUYGJX-JQWIXIFHSA-N	-1	0	301.368	0.263	20	30		DCEDRM
C[C@@H]([C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-])C1CC1	ZINC000572569626	397072999	/nfs/dbraw/zinc/07/29/99/397072999.db2.gz	PZCPRDRZKNPVJK-PELKAZGASA-N	-1	0	309.347	0.731	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)ccc1F	ZINC000377401671	397078481	/nfs/dbraw/zinc/07/84/81/397078481.db2.gz	SSOVBXFQFHYSPS-NSHDSACASA-N	-1	0	302.269	0.424	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)[C@@H]1CCC[C@H]1OC)C(=O)OC	ZINC000601407687	397105036	/nfs/dbraw/zinc/10/50/36/397105036.db2.gz	BBGGFBQDUPWEQS-QJPTWQEYSA-N	-1	0	321.395	0.218	20	30		DCEDRM
C[C@@H](C#N)N(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CC1	ZINC000598137928	397177125	/nfs/dbraw/zinc/17/71/25/397177125.db2.gz	SPCKVTLZBOKPAY-QMMMGPOBSA-N	-1	0	309.347	0.556	20	30		DCEDRM
CC[C@@H](CSC)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602135203	397315101	/nfs/dbraw/zinc/31/51/01/397315101.db2.gz	YRGQKEWUCSZNBA-NSHDSACASA-N	-1	0	324.406	0.811	20	30		DCEDRM
CCN(CCC1CC1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602137914	397316171	/nfs/dbraw/zinc/31/61/71/397316171.db2.gz	UJUXFHBGIVUHAY-UHFFFAOYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
C[C@H]1CCC[C@H](N(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602053826	397291479	/nfs/dbraw/zinc/29/14/79/397291479.db2.gz	CQVBCAUSVAXPNZ-JQWIXIFHSA-N	-1	0	304.350	0.858	20	30		DCEDRM
C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@@H](C)S1	ZINC000602107353	397303359	/nfs/dbraw/zinc/30/33/59/397303359.db2.gz	PBYWWFIEXFLVER-RKDXNWHRSA-N	-1	0	308.363	0.173	20	30		DCEDRM
CC1(C)[C@@H]2CN(C(=O)CCn3cc(C#N)c(=O)[n-]c3=O)C[C@@H]21	ZINC000602111459	397304904	/nfs/dbraw/zinc/30/49/04/397304904.db2.gz	TXTJMPSLQUINFV-PHIMTYICSA-N	-1	0	302.334	0.325	20	30		DCEDRM
CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000593269407	397346524	/nfs/dbraw/zinc/34/65/24/397346524.db2.gz	GEVIVZGSJBQESI-WDEREUQCSA-N	-1	0	305.400	0.896	20	30		DCEDRM
Cc1cc(CNS(=O)(=O)N(C)CCC#N)ccc1C(=O)[O-]	ZINC000577823091	397363017	/nfs/dbraw/zinc/36/30/17/397363017.db2.gz	XFKGMQNMHZPANS-UHFFFAOYSA-N	-1	0	311.363	0.873	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)N1Cc2cccc(C#N)c2C1	ZINC000593768787	397439795	/nfs/dbraw/zinc/43/97/95/397439795.db2.gz	FPAFCGOAIXDFRQ-UHFFFAOYSA-N	-1	0	301.302	0.334	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c(Cl)cnn1CC)C(=O)[O-]	ZINC000621538027	397395699	/nfs/dbraw/zinc/39/56/99/397395699.db2.gz	DJBLEQYSYNRYLN-VIFPVBQESA-N	-1	0	301.730	0.942	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CCO[C@H](C2CC2)C1)C(=O)[O-]	ZINC000578208060	397407442	/nfs/dbraw/zinc/40/74/42/397407442.db2.gz	QTYRHCZJVMUBHF-AVGNSLFASA-N	-1	0	312.366	0.899	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC[C@H]1C(=O)[O-]	ZINC000599946716	397549307	/nfs/dbraw/zinc/54/93/07/397549307.db2.gz	CAMHLNPUDVAILE-WRWGMCAJSA-N	-1	0	307.350	0.364	20	30		DCEDRM
CN(CC(=O)[N-]S(=O)(=O)CCCC#N)C(=O)OC(C)(C)C	ZINC000494503520	397531046	/nfs/dbraw/zinc/53/10/46/397531046.db2.gz	JCKRNEORTSTEPY-UHFFFAOYSA-N	-1	0	319.383	0.603	20	30		DCEDRM
N#C[C@]1(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCSC1	ZINC000603886980	397625388	/nfs/dbraw/zinc/62/53/88/397625388.db2.gz	VWQAHRSIQFBBGQ-CYBMUJFWSA-N	-1	0	317.330	0.565	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1F	ZINC000088376578	158094997	/nfs/dbraw/zinc/09/49/97/158094997.db2.gz	FDBXYISNQJBBAA-LLVKDONJSA-N	-1	0	314.294	0.171	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000091052598	158106731	/nfs/dbraw/zinc/10/67/31/158106731.db2.gz	WIZWXRVSDYNVAV-UHFFFAOYSA-N	-1	0	317.330	0.368	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cc(OC)ccc1OC	ZINC000092464067	415539893	/nfs/dbraw/zinc/53/98/93/415539893.db2.gz	ZDGYNNKMVUBLDK-UHFFFAOYSA-N	-1	0	315.347	0.965	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)c3nc(=O)[nH][n-]3)CC2)c(F)c1	ZINC000101675124	415594413	/nfs/dbraw/zinc/59/44/13/415594413.db2.gz	RDMGSIBFPALRDC-UHFFFAOYSA-N	-1	0	316.296	0.071	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cnc(OCC3CC3)cn2)[n-]c1C#N	ZINC000287360260	415660455	/nfs/dbraw/zinc/66/04/55/415660455.db2.gz	AETMBZUWKTVTFZ-UHFFFAOYSA-N	-1	0	309.289	0.984	20	30		DCEDRM
C#C[C@H](C)[N-]S(=O)(=O)[C@H](CC(=O)OCC)C(F)(F)F	ZINC000289121919	415701653	/nfs/dbraw/zinc/70/16/53/415701653.db2.gz	KQCCMDWOGUOSPN-JGVFFNPUSA-N	-1	0	301.286	0.812	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)NCC(=O)[O-])ccc1C(F)(F)F	ZINC000337063189	415901006	/nfs/dbraw/zinc/90/10/06/415901006.db2.gz	YOVPBZXOMMDAEX-UHFFFAOYSA-N	-1	0	308.237	0.940	20	30		DCEDRM
N#Cc1cccc(-n2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)n2)c1	ZINC000337070606	415902888	/nfs/dbraw/zinc/90/28/88/415902888.db2.gz	WUJKHFBNYOEYQL-UHFFFAOYSA-N	-1	0	309.289	0.498	20	30		DCEDRM
CC(C)(C)N1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1=O	ZINC000356661744	415970803	/nfs/dbraw/zinc/97/08/03/415970803.db2.gz	ACKMPEAGPHXFAV-QMMMGPOBSA-N	-1	0	300.322	0.739	20	30		DCEDRM
O=C(CSc1n[nH]c(=O)[n-]1)NCC#Cc1cccc(F)c1	ZINC000338241636	416064985	/nfs/dbraw/zinc/06/49/85/416064985.db2.gz	FDIKYVVDVYBRFT-UHFFFAOYSA-N	-1	0	306.322	0.909	20	30		DCEDRM
CC(C)(C)n1cc(C(=O)C(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC000357713942	416120519	/nfs/dbraw/zinc/12/05/19/416120519.db2.gz	FQPKATMUKPFKBG-UHFFFAOYSA-N	-1	0	311.305	0.926	20	30		DCEDRM
Cn1nc(CN2CCC[C@H]2C(=O)Nc2nccs2)[n-]c1=O	ZINC000329271986	416159307	/nfs/dbraw/zinc/15/93/07/416159307.db2.gz	IIMKEUBADCXFNY-QMMMGPOBSA-N	-1	0	308.367	0.818	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000422679067	416447483	/nfs/dbraw/zinc/44/74/83/416447483.db2.gz	RFXLDBBILRPDPD-VIFPVBQESA-N	-1	0	319.292	0.959	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1F	ZINC000422679062	416448011	/nfs/dbraw/zinc/44/80/11/416448011.db2.gz	REGJWEVVTGSQMA-SECBINFHSA-N	-1	0	319.292	0.959	20	30		DCEDRM
C#CCN(C1CCCC1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000491659645	416609937	/nfs/dbraw/zinc/60/99/37/416609937.db2.gz	NFECDEBIHXFYMC-LBPRGKRZSA-N	-1	0	300.380	0.658	20	30		DCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000491741772	416621287	/nfs/dbraw/zinc/62/12/87/416621287.db2.gz	RVKLMLLPOJQQAT-SSDOTTSWSA-N	-1	0	308.319	0.078	20	30		DCEDRM
Cc1cc(C)c(C#N)c(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1	ZINC000424462463	416648406	/nfs/dbraw/zinc/64/84/06/416648406.db2.gz	ARPYXBJOGUQLKM-NSHDSACASA-N	-1	0	309.347	0.258	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1cccc(NC(C)=O)c1)C(=O)[O-]	ZINC000425250976	416688957	/nfs/dbraw/zinc/68/89/57/416688957.db2.gz	GOLIKZWTCMHSOR-AWEZNQCLSA-N	-1	0	320.345	0.960	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1sccc1C)C(=O)[O-]	ZINC000567164048	417059603	/nfs/dbraw/zinc/05/96/03/417059603.db2.gz	MOXKPZPLPJRVLE-VIFPVBQESA-N	-1	0	305.377	0.991	20	30		DCEDRM
O=S(=O)(NCC#CCO)c1cc(C(F)(F)F)ccc1[O-]	ZINC000632516037	417138756	/nfs/dbraw/zinc/13/87/56/417138756.db2.gz	PHAAZQXWEGJGSJ-UHFFFAOYSA-N	-1	0	309.265	0.685	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCCN1C(=O)C(C)C	ZINC000408269704	417152608	/nfs/dbraw/zinc/15/26/08/417152608.db2.gz	LBDPKUSWVKXZNJ-LLVKDONJSA-N	-1	0	302.396	0.656	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000627275270	417323552	/nfs/dbraw/zinc/32/35/52/417323552.db2.gz	GUKGSZSKGIPVGS-VXGBXAGGSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCC[C@]2(COC)C(=O)[O-])nn1	ZINC000643853778	417399312	/nfs/dbraw/zinc/39/93/12/417399312.db2.gz	KFEAPXNZZCDUCW-AWEZNQCLSA-N	-1	0	308.338	0.560	20	30		DCEDRM
CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000576231455	417593088	/nfs/dbraw/zinc/59/30/88/417593088.db2.gz	IAEKRZKWVHUQOG-PWSUYJOCSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccccc1OC)C(=O)[O-]	ZINC000576396837	417604265	/nfs/dbraw/zinc/60/42/65/417604265.db2.gz	MLROXTAHENRTQT-JTQLQIEISA-N	-1	0	315.347	0.629	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000580557183	417711664	/nfs/dbraw/zinc/71/16/64/417711664.db2.gz	KKJZEPMYLAITEB-AXFHLTTASA-N	-1	0	305.400	0.800	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000580571369	417715396	/nfs/dbraw/zinc/71/53/96/417715396.db2.gz	HOIOBLTUQSQTQD-WOPDTQHZSA-N	-1	0	317.411	0.755	20	30		DCEDRM
C=CCNC(=O)CNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC000652112636	417847331	/nfs/dbraw/zinc/84/73/31/417847331.db2.gz	HXNQVJZGYBUWLD-INIZCTEOSA-N	-1	0	319.361	0.630	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000647589115	418028765	/nfs/dbraw/zinc/02/87/65/418028765.db2.gz	YBVHTNPOFMKVAV-UMSGYPCISA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000647589116	418028845	/nfs/dbraw/zinc/02/88/45/418028845.db2.gz	YBVHTNPOFMKVAV-WUHRBBMRSA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=CCCCCCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659662750	418139652	/nfs/dbraw/zinc/13/96/52/418139652.db2.gz	WAJIPGYRYOCQQF-MLGOLLRUSA-N	-1	0	324.377	0.409	20	30		DCEDRM
C=CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)[C@H](C)COC	ZINC000659663475	418139741	/nfs/dbraw/zinc/13/97/41/418139741.db2.gz	ZGXMWPMSLACNHV-VXGBXAGGSA-N	-1	0	314.382	0.509	20	30		DCEDRM
CC#CCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000656020371	418317425	/nfs/dbraw/zinc/31/74/25/418317425.db2.gz	RQRVLMCUNLAEID-GRYCIOLGSA-N	-1	0	308.378	0.768	20	30		DCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N1CCC(OC)CC1	ZINC000656517724	418359718	/nfs/dbraw/zinc/35/97/18/418359718.db2.gz	PXYFBDNJSZBDTN-SNVBAGLBSA-N	-1	0	306.384	0.351	20	30		DCEDRM
Cn1nccc1/C=C/C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000194005591	261144057	/nfs/dbraw/zinc/14/40/57/261144057.db2.gz	SHKXVMZDKDKWTQ-AATRIKPKSA-N	-1	0	316.342	0.810	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)CCOCC(F)(F)F)n1	ZINC000357148617	261507851	/nfs/dbraw/zinc/50/78/51/261507851.db2.gz	LPKIZPAREFPIKZ-UHFFFAOYSA-N	-1	0	312.273	0.612	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cn1C	ZINC000358525100	261678910	/nfs/dbraw/zinc/67/89/10/261678910.db2.gz	ICXWJJYCZIUIRG-UHFFFAOYSA-N	-1	0	309.307	0.207	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1F	ZINC000427124327	268261108	/nfs/dbraw/zinc/26/11/08/268261108.db2.gz	QQQSGIZURIHLKH-UHFFFAOYSA-N	-1	0	323.309	0.180	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1F	ZINC000427120664	268261538	/nfs/dbraw/zinc/26/15/38/268261538.db2.gz	DNJNYXVYLUAJIL-UHFFFAOYSA-N	-1	0	323.309	0.180	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000547886166	288088513	/nfs/dbraw/zinc/08/85/13/288088513.db2.gz	QDEKNYPXJGFCMG-NSHDSACASA-N	-1	0	316.310	0.216	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC000548536050	288151511	/nfs/dbraw/zinc/15/15/11/288151511.db2.gz	OWDLSQOMZGLCPO-WCQYABFASA-N	-1	0	324.358	0.635	20	30		DCEDRM
COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000548577090	288156482	/nfs/dbraw/zinc/15/64/82/288156482.db2.gz	UNBCYYRRUVMHRX-VIFPVBQESA-N	-1	0	313.335	0.063	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1(CC(=O)[O-])CCC1	ZINC000518542340	332077638	/nfs/dbraw/zinc/07/76/38/332077638.db2.gz	QWTFCWWLGVNXJH-NSHDSACASA-N	-1	0	317.411	0.947	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000518542118	332077699	/nfs/dbraw/zinc/07/76/99/332077699.db2.gz	KELMIBFFZPKVNX-PWSUYJOCSA-N	-1	0	303.384	0.652	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1C#N	ZINC000584293375	332221486	/nfs/dbraw/zinc/22/14/86/332221486.db2.gz	GHSNCAOXCPYSEV-SECBINFHSA-N	-1	0	316.321	0.627	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC1(C(=O)[O-])CCCC1	ZINC000561160866	332418550	/nfs/dbraw/zinc/41/85/50/332418550.db2.gz	CMWFVXVYPVNMAB-SNVBAGLBSA-N	-1	0	303.384	0.700	20	30		DCEDRM
CC[C@@H](CCC(=O)[O-])NS(=O)(=O)N(CC)C[C@@H](C)C#N	ZINC000569853598	332686250	/nfs/dbraw/zinc/68/62/50/332686250.db2.gz	VJIUICZNHMMDEJ-QWRGUYRKSA-N	-1	0	305.400	0.946	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H](C)C[C@H]1CCCO1)C(=O)[O-]	ZINC000570290753	332736337	/nfs/dbraw/zinc/73/63/37/332736337.db2.gz	SBJHTJBWMVWCSG-UTUOFQBUSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1	ZINC000497271544	333229726	/nfs/dbraw/zinc/22/97/26/333229726.db2.gz	JZUQLCCSMOTQJC-UHFFFAOYSA-N	-1	0	318.395	0.875	20	30		DCEDRM
CNC(=O)C/N=C(/[O-])Nc1cc(Br)cn(C)c1=O	ZINC000331232111	334843782	/nfs/dbraw/zinc/84/37/82/334843782.db2.gz	IQMIJRJASHYZNM-UHFFFAOYSA-N	-1	0	317.143	0.220	20	30		DCEDRM
CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)N(CC)C[C@@H](C)C#N	ZINC000417422085	334869590	/nfs/dbraw/zinc/86/95/90/334869590.db2.gz	NNIVDMDMCHUTHJ-WDEREUQCSA-N	-1	0	305.400	0.898	20	30		DCEDRM
N#C[C@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CCO1	ZINC000332525506	336173768	/nfs/dbraw/zinc/17/37/68/336173768.db2.gz	OMDKEZCOJUMDOB-JTQLQIEISA-N	-1	0	306.347	0.233	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)N(C)[C@H](C)C1CC1)C(=O)[O-]	ZINC000564081164	337452596	/nfs/dbraw/zinc/45/25/96/337452596.db2.gz	LIWYEKIZAWFFCW-MWLCHTKSSA-N	-1	0	306.384	0.207	20	30		DCEDRM
C=CCC(CC=C)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424240935	337812144	/nfs/dbraw/zinc/81/21/44/337812144.db2.gz	KSNNAXIKEBHMAO-NSHDSACASA-N	-1	0	301.364	0.465	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)C1	ZINC000424396647	337830224	/nfs/dbraw/zinc/83/02/24/337830224.db2.gz	HWDAZRJIHSDOAA-WCQYABFASA-N	-1	0	315.329	0.809	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000515743346	337996826	/nfs/dbraw/zinc/99/68/26/337996826.db2.gz	HIAMMFIPCXSFIK-LBPRGKRZSA-N	-1	0	310.306	0.842	20	30		DCEDRM
Cc1c(/C=C/C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cnn1C	ZINC000492327051	339897780	/nfs/dbraw/zinc/89/77/80/339897780.db2.gz	FHGHAEWWHGPVNO-AATRIKPKSA-N	-1	0	310.379	0.738	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](CC)NC(=O)OC(C)(C)C	ZINC000495952989	339995500	/nfs/dbraw/zinc/99/55/00/339995500.db2.gz	VTSGEIZOROYQTC-JTQLQIEISA-N	-1	0	318.395	0.759	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](CCOC)NC(=O)OCc1ccccc1	ZINC000496504242	340006827	/nfs/dbraw/zinc/00/68/27/340006827.db2.gz	HPNWUNCWSWDJEY-AWEZNQCLSA-N	-1	0	320.345	0.999	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCCC1	ZINC000547915972	341239060	/nfs/dbraw/zinc/23/90/60/341239060.db2.gz	KHRCFMHOBNMZFX-UHFFFAOYSA-N	-1	0	304.368	0.433	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC000566313168	341553756	/nfs/dbraw/zinc/55/37/56/341553756.db2.gz	FALWQPHCQNBXJN-JQWIXIFHSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000573924356	341743420	/nfs/dbraw/zinc/74/34/20/341743420.db2.gz	DTNHFIUESXPXOG-MNOVXSKESA-N	-1	0	305.400	0.659	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCCc2c1cnn2C)C(=O)[O-]	ZINC000576897501	341868787	/nfs/dbraw/zinc/86/87/87/341868787.db2.gz	JVNUXPCKUICNJL-NEPJUHHUSA-N	-1	0	322.365	0.753	20	30		DCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1	ZINC000577575003	341919393	/nfs/dbraw/zinc/91/93/93/341919393.db2.gz	UAEZSDRAOQTBAV-CHWSQXEVSA-N	-1	0	313.375	0.539	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)CC1	ZINC001601062537	1159779938	/nfs/dbraw/zinc/77/99/38/1159779938.db2.gz	JTCDMZSQMQORCB-NSHDSACASA-N	-1	0	304.393	0.560	20	30		DCEDRM
N#C[C@]1(F)CCN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])C1	ZINC001608177011	1159801958	/nfs/dbraw/zinc/80/19/58/1159801958.db2.gz	IXWXAXQYMSGHEA-CKYFFXLPSA-N	-1	0	304.343	0.897	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)OCC	ZINC001567795142	1160481652	/nfs/dbraw/zinc/48/16/52/1160481652.db2.gz	VHXTZWHZHDPXRN-LLVKDONJSA-N	-1	0	309.370	0.182	20	30		DCEDRM
C=CCOCC(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000357341838	526722814	/nfs/dbraw/zinc/72/28/14/526722814.db2.gz	VQFLKESFWQKHFS-UHFFFAOYSA-N	-1	0	300.336	0.441	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCC1)C(=O)[O-]	ZINC000263055475	526788120	/nfs/dbraw/zinc/78/81/20/526788120.db2.gz	QEKQEXJURUKFNX-OLZOCXBDSA-N	-1	0	312.366	0.453	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)[O-]	ZINC000263175999	526788158	/nfs/dbraw/zinc/78/81/58/526788158.db2.gz	ZFIMZRHASCIZOI-MFKMUULPSA-N	-1	0	307.302	0.598	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCCO1)C(=O)[O-]	ZINC000262980686	526804719	/nfs/dbraw/zinc/80/47/19/526804719.db2.gz	KRJLMPWXOKTJIX-AGIUHOORSA-N	-1	0	315.366	0.733	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)OC[C@@H]1CCCCO1)C(=O)[O-]	ZINC000262980687	526806482	/nfs/dbraw/zinc/80/64/82/526806482.db2.gz	KRJLMPWXOKTJIX-AVGNSLFASA-N	-1	0	315.366	0.733	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2C[C@H](C)C[C@H](C(=O)[O-])C2)nc1	ZINC000263229419	527036361	/nfs/dbraw/zinc/03/63/61/527036361.db2.gz	QJGWRJCZXOJFEF-YPMHNXCESA-N	-1	0	301.346	0.992	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000159584650	527176228	/nfs/dbraw/zinc/17/62/28/527176228.db2.gz	PVUINHRNZDNWOA-JTQLQIEISA-N	-1	0	312.303	0.658	20	30		DCEDRM
C=CCC[C@@H](NC(=O)c1nc2nc(C)cc(C)n2n1)C(=O)[O-]	ZINC000263032224	527445735	/nfs/dbraw/zinc/44/57/35/527445735.db2.gz	ZARJESVEXWDNMC-SNVBAGLBSA-N	-1	0	303.322	0.890	20	30		DCEDRM
C=CCC[C@H](NC(=O)CS(=O)(=O)C1CCCC1)C(=O)[O-]	ZINC000262971205	527475407	/nfs/dbraw/zinc/47/54/07/527475407.db2.gz	SOKSALGAJWIMOI-NSHDSACASA-N	-1	0	303.380	0.879	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000263110512	528709544	/nfs/dbraw/zinc/70/95/44/528709544.db2.gz	DLKPNPUWZSBRKE-QJPTWQEYSA-N	-1	0	317.411	0.755	20	30		DCEDRM
C=CCOCCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000313730888	546024513	/nfs/dbraw/zinc/02/45/13/546024513.db2.gz	CWQYTWXIGGYOLR-UHFFFAOYSA-N	-1	0	315.347	0.631	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000684559224	548623292	/nfs/dbraw/zinc/62/32/92/548623292.db2.gz	JJJFEZKGXZKCIC-CYBMUJFWSA-N	-1	0	324.358	0.853	20	30		DCEDRM
N#Cc1ccsc1N1CC[C@H](N2CCO[C@H](C(=O)[O-])C2)C1=O	ZINC000819111126	596924696	/nfs/dbraw/zinc/92/46/96/596924696.db2.gz	MMPLZMZMIZSKRS-QWRGUYRKSA-N	-1	0	321.358	0.510	20	30		DCEDRM
C[C@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)[O-]	ZINC000737712500	597499602	/nfs/dbraw/zinc/49/96/02/597499602.db2.gz	JHGMKRBVVDWHRO-QMMMGPOBSA-N	-1	0	300.274	0.956	20	30		DCEDRM
C[C@@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)[O-]	ZINC000737712497	597499607	/nfs/dbraw/zinc/49/96/07/597499607.db2.gz	JHGMKRBVVDWHRO-MRVPVSSYSA-N	-1	0	300.274	0.956	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCCCC1	ZINC000819865603	597619634	/nfs/dbraw/zinc/61/96/34/597619634.db2.gz	MTJVBNTZVULAED-CQSZACIVSA-N	-1	0	321.333	0.877	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)O[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000819865060	597623066	/nfs/dbraw/zinc/62/30/66/597623066.db2.gz	GPCJPQRQICUILI-RDDDGLTNSA-N	-1	0	322.239	0.697	20	30		DCEDRM
COc1ccc([C@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC000820826603	597634315	/nfs/dbraw/zinc/63/43/15/597634315.db2.gz	HLCSWSSONMGVTO-IUODEOHRSA-N	-1	0	306.318	0.849	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)COc1ccc(F)cc1	ZINC000819835468	597637577	/nfs/dbraw/zinc/63/75/77/597637577.db2.gz	VDYBHHXXLORANL-IAQYHMDHSA-N	-1	0	324.308	0.686	20	30		DCEDRM
Cn1cc(CN2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)cn1	ZINC000821288111	597646364	/nfs/dbraw/zinc/64/63/64/597646364.db2.gz	ZUCMEDTVNZACRV-OAHLLOKOSA-N	-1	0	319.365	0.069	20	30		DCEDRM
CCc1nc2n(n1)C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000820498574	597647372	/nfs/dbraw/zinc/64/73/72/597647372.db2.gz	QJHSMVJKKRXATF-LKFCYVNXSA-N	-1	0	305.338	0.276	20	30		DCEDRM
C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820245320	597655934	/nfs/dbraw/zinc/65/59/34/597655934.db2.gz	MPQWQJINMPCHHF-NSODJVPESA-N	-1	0	321.377	0.754	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2ccccn2)CC1	ZINC000819822153	598221726	/nfs/dbraw/zinc/22/17/26/598221726.db2.gz	LYNLIRSEICHWPQ-OAHLLOKOSA-N	-1	0	302.334	0.735	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2ncccn2)CC1	ZINC000819822034	598221794	/nfs/dbraw/zinc/22/17/94/598221794.db2.gz	LLQDJRNJMHTHRL-CQSZACIVSA-N	-1	0	303.322	0.130	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1cn2ccccc2n1	ZINC000819842113	598223045	/nfs/dbraw/zinc/22/30/45/598223045.db2.gz	JEBYGRCLZKYHEP-OAHLLOKOSA-N	-1	0	300.318	0.998	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(NC(=O)C2CC2)CC1	ZINC000819810633	598224019	/nfs/dbraw/zinc/22/40/19/598224019.db2.gz	DNJAEFABEIHQOO-OAHLLOKOSA-N	-1	0	307.350	0.508	20	30		DCEDRM
CC(C)c1nnc2n1C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000820061537	598226126	/nfs/dbraw/zinc/22/61/26/598226126.db2.gz	IUVCVGRQKDJEKD-ZUZCIYMTSA-N	-1	0	319.365	0.837	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NCc1ccc(F)cc1	ZINC000819866316	598227305	/nfs/dbraw/zinc/22/73/05/598227305.db2.gz	VLELOFKATFMSMJ-HNNXBMFYSA-N	-1	0	322.292	0.990	20	30		DCEDRM
Cn1cc(N2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)cn1	ZINC000821298218	598229376	/nfs/dbraw/zinc/22/93/76/598229376.db2.gz	NZTCCWFBYRBKIF-AWEZNQCLSA-N	-1	0	305.338	0.073	20	30		DCEDRM
CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820498436	598230094	/nfs/dbraw/zinc/23/00/94/598230094.db2.gz	CIOSVSLPYHPLKH-OTYXRUKQSA-N	-1	0	305.338	0.796	20	30		DCEDRM
COCCc1noc(CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000820738464	598230309	/nfs/dbraw/zinc/23/03/09/598230309.db2.gz	DMHYEUNSRPWWPM-CYBMUJFWSA-N	-1	0	310.310	0.221	20	30		DCEDRM
CSc1[nH]c(=O)c(C(=O)N[C@@H](C)CC#N)cc1-c1nnn[n-]1	ZINC000737186519	598286685	/nfs/dbraw/zinc/28/66/85/598286685.db2.gz	IXRVCTBSAGOYIK-LURJTMIESA-N	-1	0	319.350	0.721	20	30		DCEDRM
COC(=O)c1cc(C#N)c(=O)n(Cc2cc(C(=O)[O-])co2)c1	ZINC000737653536	599803716	/nfs/dbraw/zinc/80/37/16/599803716.db2.gz	ZAGIJKCDFLDCEP-UHFFFAOYSA-N	-1	0	302.242	0.846	20	30		DCEDRM
C=CCN(C(=O)CCSCC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000736107948	599836299	/nfs/dbraw/zinc/83/62/99/599836299.db2.gz	BYWKRSUKTNPGOL-JTQLQIEISA-N	-1	0	321.420	0.396	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)NCCSCC(=O)[O-])c1	ZINC000739134148	599910981	/nfs/dbraw/zinc/91/09/81/599910981.db2.gz	WMFXAMRWROAQQX-UHFFFAOYSA-N	-1	0	307.331	0.431	20	30		DCEDRM
N#CCCn1ncc2c1ncnc2N1CCO[C@H](C(=O)[O-])C1	ZINC000738428855	599958791	/nfs/dbraw/zinc/95/87/91/599958791.db2.gz	WZCJGDPNPDSHRV-JTQLQIEISA-N	-1	0	302.294	0.030	20	30		DCEDRM
Cc1oc(NC(=O)[C@H](C)N2CCO[C@@H](C(=O)[O-])C2)c(C#N)c1C	ZINC000738388970	599971271	/nfs/dbraw/zinc/97/12/71/599971271.db2.gz	RWSJISOOTUTROB-JOYOIKCWSA-N	-1	0	321.333	0.881	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CCO1	ZINC000229773182	599981264	/nfs/dbraw/zinc/98/12/64/599981264.db2.gz	XQXKYJJEGAQHDS-VIFPVBQESA-N	-1	0	314.294	0.437	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2CCC(C(=O)[O-])CC2)cc1	ZINC000738430975	599996765	/nfs/dbraw/zinc/99/67/65/599996765.db2.gz	QKITWGIJDOPNSS-UHFFFAOYSA-N	-1	0	315.329	0.611	20	30		DCEDRM
N#CCCNC(=O)COC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000739076310	600094113	/nfs/dbraw/zinc/09/41/13/600094113.db2.gz	UOIWMDIEQDULFX-UHFFFAOYSA-N	-1	0	304.302	0.890	20	30		DCEDRM
C#Cc1ccc(C(=O)OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])nc1	ZINC000736092767	600117871	/nfs/dbraw/zinc/11/78/71/600117871.db2.gz	JOTDBQDCDZMFDK-ZDUSSCGKSA-N	-1	0	318.329	0.835	20	30		DCEDRM
N#CCCCCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000739069089	600129880	/nfs/dbraw/zinc/12/98/80/600129880.db2.gz	KKNKQYFELGBMTO-UHFFFAOYSA-N	-1	0	319.317	0.899	20	30		DCEDRM
N#CCNC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000739085201	600144621	/nfs/dbraw/zinc/14/46/21/600144621.db2.gz	CZJRVKMWLXVCSQ-UHFFFAOYSA-N	-1	0	311.725	0.572	20	30		DCEDRM
N#CCN1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC000738426075	600169298	/nfs/dbraw/zinc/16/92/98/600169298.db2.gz	LUKMLCNWBNNGQP-UHFFFAOYSA-N	-1	0	323.374	0.651	20	30		DCEDRM
COC(=O)C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC000737589801	600246913	/nfs/dbraw/zinc/24/69/13/600246913.db2.gz	FBUDARVOHRBFGL-LBPRGKRZSA-N	-1	0	320.301	0.264	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc(N2CCOC2=O)c1	ZINC000739087789	600400829	/nfs/dbraw/zinc/40/08/29/600400829.db2.gz	PFVCUPMJPBXIMP-UHFFFAOYSA-N	-1	0	303.274	0.694	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000739142997	600492436	/nfs/dbraw/zinc/49/24/36/600492436.db2.gz	UUGJPHJFJRXHMT-LBPRGKRZSA-N	-1	0	317.349	0.871	20	30		DCEDRM
CN(C)C(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000737349950	600563580	/nfs/dbraw/zinc/56/35/80/600563580.db2.gz	NUJHRRXTPMKALP-CQSZACIVSA-N	-1	0	316.361	0.983	20	30		DCEDRM
N#CCc1ccc(OS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1	ZINC000833068961	600692447	/nfs/dbraw/zinc/69/24/47/600692447.db2.gz	IRHYQYTXVZLKML-UHFFFAOYSA-N	-1	0	321.314	0.801	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000737714786	600764245	/nfs/dbraw/zinc/76/42/45/600764245.db2.gz	WIGCRRUPQDFUGC-UHFFFAOYSA-N	-1	0	312.303	0.072	20	30		DCEDRM
CCOC(=O)[C@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC000737135378	600794244	/nfs/dbraw/zinc/79/42/44/600794244.db2.gz	JNSBUXUSQRWTIB-KGLIPLIRSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C=CCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC000825687495	600863167	/nfs/dbraw/zinc/86/31/67/600863167.db2.gz	MRRTUXCXIDRNQJ-UHFFFAOYSA-N	-1	0	306.274	0.412	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000817675327	600897518	/nfs/dbraw/zinc/89/75/18/600897518.db2.gz	NXAKLBFIXIEFTF-UHFFFAOYSA-N	-1	0	322.292	0.757	20	30		DCEDRM
CC(C)(CCC(=O)[O-])NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000817828199	600948124	/nfs/dbraw/zinc/94/81/24/600948124.db2.gz	ZSWXXRJEMZEFIB-YPKPFQOOSA-N	-1	0	323.349	0.663	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2	ZINC000739077090	601019977	/nfs/dbraw/zinc/01/99/77/601019977.db2.gz	HJSRDTNVBRERBY-RYUDHWBXSA-N	-1	0	316.313	0.998	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC(c2c(F)cccc2F)=NO1	ZINC000739077529	601020303	/nfs/dbraw/zinc/02/03/03/601020303.db2.gz	PLXWVBLIFBKIMA-LLVKDONJSA-N	-1	0	323.255	0.895	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCSC[C@@H]1CC(=O)[O-]	ZINC000826677621	601025769	/nfs/dbraw/zinc/02/57/69/601025769.db2.gz	WBEUYAMQGVFBBI-SMDDNHRTSA-N	-1	0	313.423	0.933	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)c1ccnc(C(=O)[O-])c1	ZINC000833076871	601245136	/nfs/dbraw/zinc/24/51/36/601245136.db2.gz	QZFXGHXDSGEPOA-UHFFFAOYSA-N	-1	0	311.301	0.888	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@@H](C(=O)[O-])C1	ZINC000818500512	601314762	/nfs/dbraw/zinc/31/47/62/601314762.db2.gz	NTVSWVWTOFZLHU-OLZOCXBDSA-N	-1	0	304.302	0.558	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000819095572	601362150	/nfs/dbraw/zinc/36/21/50/601362150.db2.gz	ADILRQQAZOTTJS-MRVPVSSYSA-N	-1	0	305.265	0.569	20	30		DCEDRM
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000825996122	601456566	/nfs/dbraw/zinc/45/65/66/601456566.db2.gz	VWTUZENTQMVSKH-OLZOCXBDSA-N	-1	0	323.393	0.893	20	30		DCEDRM
N#CC1(NC(=O)CN2CCO[C@H](CC(=O)[O-])C2)CCCCC1	ZINC000833064992	601457960	/nfs/dbraw/zinc/45/79/60/601457960.db2.gz	PVVCFHNSADBRRD-GFCCVEGCSA-N	-1	0	309.366	0.505	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cnc2ccsc2c1	ZINC000833066799	601516936	/nfs/dbraw/zinc/51/69/36/601516936.db2.gz	IBMVOOAALIIZRY-UHFFFAOYSA-N	-1	0	311.344	0.895	20	30		DCEDRM
N#Cc1ccc(-c2nnc(CN3CCOC[C@@H]3C(=O)[O-])o2)cc1	ZINC000833070455	601559346	/nfs/dbraw/zinc/55/93/46/601559346.db2.gz	HCJYGCRWVDINBV-GFCCVEGCSA-N	-1	0	314.301	0.894	20	30		DCEDRM
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCO[C@H](CC(=O)[O-])C1	ZINC000831085021	601573834	/nfs/dbraw/zinc/57/38/34/601573834.db2.gz	VOWSPGBVUOUOEB-UKRRQHHQSA-N	-1	0	318.329	0.948	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000833067546	601670131	/nfs/dbraw/zinc/67/01/31/601670131.db2.gz	FXLSGEKSYHMIFR-CQSZACIVSA-N	-1	0	318.329	0.834	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1	ZINC000833070769	601759337	/nfs/dbraw/zinc/75/93/37/601759337.db2.gz	SRYDWRSJKXTOJN-HNNXBMFYSA-N	-1	0	319.292	0.313	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC1	ZINC000736348254	602724805	/nfs/dbraw/zinc/72/48/05/602724805.db2.gz	VLPMQBDUDPGAIM-STQMWFEESA-N	-1	0	310.398	0.971	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)CNC(=O)[O-])CCN1Cc1ccccc1	ZINC000738423768	603133770	/nfs/dbraw/zinc/13/37/70/603133770.db2.gz	VHUWDKKSUAMTEK-CYBMUJFWSA-N	-1	0	302.334	0.491	20	30		DCEDRM
N#CCN1CCC(NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000739087303	603260784	/nfs/dbraw/zinc/26/07/84/603260784.db2.gz	XFUVPWXQXZUMQJ-GFCCVEGCSA-N	-1	0	309.370	0.416	20	30		DCEDRM
N#Cc1ccccc1OCCOC(=O)COC1CN(C(=O)[O-])C1	ZINC000831156643	603443815	/nfs/dbraw/zinc/44/38/15/603443815.db2.gz	FVQFXQJQEHJANT-UHFFFAOYSA-N	-1	0	320.301	0.859	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1COc2ccccc2C1	ZINC000831076217	603594785	/nfs/dbraw/zinc/59/47/85/603594785.db2.gz	IDVYGIRFXXXOMX-CHWSQXEVSA-N	-1	0	315.329	0.952	20	30		DCEDRM
Cc1cc(C)n([C@@H](C)C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000830018497	603601778	/nfs/dbraw/zinc/60/17/78/603601778.db2.gz	YLWANDWHHJDIIJ-NWDGAFQWSA-N	-1	0	305.338	0.775	20	30		DCEDRM
N#Cc1cc(C#N)c(S[C@H]2CN(C(=O)[O-])CCC2=O)nc1N	ZINC000831114156	603674672	/nfs/dbraw/zinc/67/46/72/603674672.db2.gz	JZBWEMULCZEUAI-JTQLQIEISA-N	-1	0	317.330	0.821	20	30		DCEDRM
C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825889248	603728424	/nfs/dbraw/zinc/72/84/24/603728424.db2.gz	VVIUIYAIIRZODW-UPJWGTAASA-N	-1	0	308.382	0.964	20	30		DCEDRM
Cc1ccccc1CNC(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830573139	603729109	/nfs/dbraw/zinc/72/91/09/603729109.db2.gz	BTNMYSZSNLDCSF-CQSZACIVSA-N	-1	0	316.361	0.799	20	30		DCEDRM
C[C@H]1CCCN(S(=O)(=O)CCCC#N)[C@H]1CNC(=O)[O-]	ZINC000825930448	603757343	/nfs/dbraw/zinc/75/73/43/603757343.db2.gz	ADOJNSCGZLAZON-QWRGUYRKSA-N	-1	0	303.384	0.988	20	30		DCEDRM
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])c1cccc(C#N)c1	ZINC000825082623	603867559	/nfs/dbraw/zinc/86/75/59/603867559.db2.gz	NULAFSVANQPKLT-BIMULSAOSA-N	-1	0	303.318	0.849	20	30		DCEDRM
N#Cc1cccc(OCCOC(=O)[C@H]2COCCN2C(=O)[O-])c1	ZINC000831152854	603906248	/nfs/dbraw/zinc/90/62/48/603906248.db2.gz	POEKOALTSZAUAO-CYBMUJFWSA-N	-1	0	320.301	0.859	20	30		DCEDRM
C[C@@H]1CCCCN1S(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825901324	603915039	/nfs/dbraw/zinc/91/50/39/603915039.db2.gz	OHZRVBLXXIPBTE-GHMZBOCLSA-N	-1	0	316.383	0.293	20	30		DCEDRM
C=CCn1c(C)cc(C(=O)Cn2nnnc2CNC(=O)[O-])c1C	ZINC000823522145	604030707	/nfs/dbraw/zinc/03/07/07/604030707.db2.gz	TZLMBOGYMKJUOF-UHFFFAOYSA-N	-1	0	318.337	0.928	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CN2CCC[C@H]2CNC(=O)[O-])c1	ZINC000831146794	604072798	/nfs/dbraw/zinc/07/27/98/604072798.db2.gz	ZCKDLCZAZRBJMR-AWEZNQCLSA-N	-1	0	316.361	0.906	20	30		DCEDRM
COC(=O)c1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cn1	ZINC000828767446	604077678	/nfs/dbraw/zinc/07/76/78/604077678.db2.gz	XYEMVYDZUSXNKU-JTQLQIEISA-N	-1	0	318.289	0.196	20	30		DCEDRM
Cc1nc(SCCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n[nH]1	ZINC000830893879	604078534	/nfs/dbraw/zinc/07/85/34/604078534.db2.gz	PMXKLZGKFHBAQH-SECBINFHSA-N	-1	0	324.366	0.310	20	30		DCEDRM
C=CCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000823501418	604111728	/nfs/dbraw/zinc/11/17/28/604111728.db2.gz	WZROBHBKKYVCBH-QWRGUYRKSA-N	-1	0	318.395	0.434	20	30		DCEDRM
CCOc1ncccc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827465883	604129516	/nfs/dbraw/zinc/12/95/16/604129516.db2.gz	UEWCVGCATGHNBV-JTQLQIEISA-N	-1	0	304.306	0.808	20	30		DCEDRM
N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000831064505	604152773	/nfs/dbraw/zinc/15/27/73/604152773.db2.gz	HJEPERJBPUTYNM-LKFCYVNXSA-N	-1	0	320.280	0.821	20	30		DCEDRM
COc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c(O)c1	ZINC000829275883	604154203	/nfs/dbraw/zinc/15/42/03/604154203.db2.gz	DXLPUZJHVMUHIA-SECBINFHSA-N	-1	0	305.290	0.729	20	30		DCEDRM
N#C[C@H](C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C(=O)NC1CC1	ZINC000831064306	604223327	/nfs/dbraw/zinc/22/33/27/604223327.db2.gz	FJAHQSSDOJSBTL-WDEREUQCSA-N	-1	0	309.322	0.133	20	30		DCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)[C@@H](C#N)C(=O)Nc1ccccn1	ZINC000824824664	604252926	/nfs/dbraw/zinc/25/29/26/604252926.db2.gz	NILFPDPIYKMBBL-NXEZZACHSA-N	-1	0	304.306	0.975	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)n1	ZINC000833079443	604304498	/nfs/dbraw/zinc/30/44/98/604304498.db2.gz	VSWFBYBAVZYQJX-GFCCVEGCSA-N	-1	0	321.243	0.370	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000831117699	604336413	/nfs/dbraw/zinc/33/64/13/604336413.db2.gz	CZIZAQRISPAQNZ-SNVBAGLBSA-N	-1	0	313.310	0.728	20	30		DCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000827016583	604400395	/nfs/dbraw/zinc/40/03/95/604400395.db2.gz	PZWHLLPGGSLACD-DOMZBBRYSA-N	-1	0	311.382	0.605	20	30		DCEDRM
C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCS1(=O)=O	ZINC000833629335	604610683	/nfs/dbraw/zinc/61/06/83/604610683.db2.gz	IKIHBRWRLIZPJM-SNVBAGLBSA-N	-1	0	308.359	0.875	20	30		DCEDRM
COCCN(CC(=O)OC)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833723659	604611583	/nfs/dbraw/zinc/61/15/83/604611583.db2.gz	PSBONMJWYQCRMS-UHFFFAOYSA-N	-1	0	306.318	0.878	20	30		DCEDRM
Cc1cc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)n(CCC#N)n1	ZINC000830096321	604742149	/nfs/dbraw/zinc/74/21/49/604742149.db2.gz	IXKBKMVTZLWJLL-SNVBAGLBSA-N	-1	0	307.310	0.423	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCO[C@@H](C#N)C1	ZINC000832915620	604762868	/nfs/dbraw/zinc/76/28/68/604762868.db2.gz	FFAQIBAWDIPUEZ-LBPRGKRZSA-N	-1	0	303.318	0.856	20	30		DCEDRM
CC(=NNC(=S)N[C@H](C)C1CC1)c1cn(CC(=O)[O-])nn1	ZINC000825804368	604786554	/nfs/dbraw/zinc/78/65/54/604786554.db2.gz	GUZPLRHBPFXIHD-SSDOTTSWSA-N	-1	0	310.383	0.349	20	30		DCEDRM
N#CCCn1ncc2c1ncnc2N1CCC[C@@H]1CNC(=O)[O-]	ZINC000831097612	604831794	/nfs/dbraw/zinc/83/17/94/604831794.db2.gz	MYXRQGFJUTVZJW-SNVBAGLBSA-N	-1	0	315.337	0.976	20	30		DCEDRM
C=C(C)COCCNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823480686	604840727	/nfs/dbraw/zinc/84/07/27/604840727.db2.gz	KYTVHTOQDFCHEI-RYUDHWBXSA-N	-1	0	315.370	0.646	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)Nc2nc(CCC(=O)[O-])cs2)CCO1	ZINC000833062274	604967380	/nfs/dbraw/zinc/96/73/80/604967380.db2.gz	KPXGLQJXJLGXEL-SECBINFHSA-N	-1	0	310.335	0.917	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000833370085	605061028	/nfs/dbraw/zinc/06/10/28/605061028.db2.gz	HXRNQLGFYCXALG-VIFPVBQESA-N	-1	0	303.336	0.749	20	30		DCEDRM
CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000833407528	605121996	/nfs/dbraw/zinc/12/19/96/605121996.db2.gz	MFJKWVQJZNXKOP-UHFFFAOYSA-N	-1	0	319.317	0.754	20	30		DCEDRM
O=C([O-])N[C@H]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC000832365564	605136707	/nfs/dbraw/zinc/13/67/07/605136707.db2.gz	KVTBSXAEWIFATO-NSHDSACASA-N	-1	0	302.286	0.635	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(C(=O)[O-])CC1	ZINC000829839362	605204395	/nfs/dbraw/zinc/20/43/95/605204395.db2.gz	HPKZUBXALYWPAO-UHFFFAOYSA-N	-1	0	316.317	0.627	20	30		DCEDRM
C#CCSCCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823466587	605353890	/nfs/dbraw/zinc/35/38/90/605353890.db2.gz	FLGMAZMNHIWIPF-NSHDSACASA-N	-1	0	300.380	0.628	20	30		DCEDRM
C#CCOCCNC(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC000833366216	605396661	/nfs/dbraw/zinc/39/66/61/605396661.db2.gz	MBKVGTAGICLWGO-UHFFFAOYSA-N	-1	0	306.318	0.599	20	30		DCEDRM
CN(Cc1ccccc1NC(=O)Cn1cnc(C#N)n1)C(=O)[O-]	ZINC000828394089	605673797	/nfs/dbraw/zinc/67/37/97/605673797.db2.gz	SREPINFPMKFPHX-UHFFFAOYSA-N	-1	0	314.305	0.898	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@H](O)COc1ccccc1	ZINC000833968270	605683405	/nfs/dbraw/zinc/68/34/05/605683405.db2.gz	VBRUKBFTECZHCR-MBNYWOFBSA-N	-1	0	305.334	0.518	20	30		DCEDRM
N#Cc1cccc(CON=C(N)[C@@H]2COCCN2C(=O)[O-])c1	ZINC000833978717	605731453	/nfs/dbraw/zinc/73/14/53/605731453.db2.gz	UAAUYCGODWOWBJ-LBPRGKRZSA-N	-1	0	304.306	0.936	20	30		DCEDRM
N#CC1(COC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCOCC1	ZINC000833964469	605781279	/nfs/dbraw/zinc/78/12/79/605781279.db2.gz	HSMWIRLLRJMZHP-ZDUSSCGKSA-N	-1	0	300.286	0.942	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000833970787	605845614	/nfs/dbraw/zinc/84/56/14/605845614.db2.gz	ZPYRPPCBNAYZRB-MRVPVSSYSA-N	-1	0	313.310	0.728	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)NC[C@@H](NC(=O)[O-])C2CC2)cc1	ZINC000833973122	605850188	/nfs/dbraw/zinc/85/01/88/605850188.db2.gz	KPKRDXRSIZFWLK-OLZOCXBDSA-N	-1	0	303.318	0.754	20	30		DCEDRM
N#Cc1cccc(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1F	ZINC000833978195	605954917	/nfs/dbraw/zinc/95/49/17/605954917.db2.gz	FIVVYOOUTVYFFC-QWRGUYRKSA-N	-1	0	308.265	0.854	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(-c3nn[nH]n3)s2)[n-]c1C#N	ZINC000822846325	606591762	/nfs/dbraw/zinc/59/17/62/606591762.db2.gz	WSZUITVXRMUFTM-UHFFFAOYSA-N	-1	0	311.290	0.647	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cccc(C(N)=O)c2)o1	ZINC000826323134	607887218	/nfs/dbraw/zinc/88/72/18/607887218.db2.gz	RJPRFRWOBVHVHU-UHFFFAOYSA-N	-1	0	312.293	0.708	20	30		DCEDRM
C=CCCC[C@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C	ZINC000823894925	608588612	/nfs/dbraw/zinc/58/86/12/608588612.db2.gz	ZSFGTKNBIGDPDM-VIFPVBQESA-N	-1	0	319.369	0.421	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1nc2ccccc2[nH]1	ZINC000826383221	609174890	/nfs/dbraw/zinc/17/48/90/609174890.db2.gz	PWYRCSMYUAIRRN-UHFFFAOYSA-N	-1	0	306.293	0.442	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)[O-]	ZINC000317009349	660987697	/nfs/dbraw/zinc/98/76/97/660987697.db2.gz	PCWHVSGTPJTLLI-SNVBAGLBSA-N	-1	0	307.302	0.919	20	30		DCEDRM
Cn1nnc2cc(C(=O)[N-]S(=O)(=O)CCCC#N)ccc21	ZINC000181258728	665513242	/nfs/dbraw/zinc/51/32/42/665513242.db2.gz	HSYYWEVIJQSDBP-UHFFFAOYSA-N	-1	0	307.335	0.332	20	30		DCEDRM
C#CCN1CC([C@@H](C)NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1	ZINC000969916317	658259180	/nfs/dbraw/zinc/25/91/80/658259180.db2.gz	LOWCNMVTXLZIHX-SNVBAGLBSA-N	-1	0	300.362	0.743	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1	ZINC000892429539	658462476	/nfs/dbraw/zinc/46/24/76/658462476.db2.gz	UGMBXTHEDQQIHA-UHFFFAOYSA-N	-1	0	312.416	0.846	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1cnc2sccc2c1=O	ZINC000092461676	658634057	/nfs/dbraw/zinc/63/40/57/658634057.db2.gz	LOKPHFQBKANDLD-UHFFFAOYSA-N	-1	0	307.331	0.557	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)cc1	ZINC000177701693	658791388	/nfs/dbraw/zinc/79/13/88/658791388.db2.gz	QNXPHTAFXIGPGI-UHFFFAOYSA-N	-1	0	320.326	0.946	20	30		DCEDRM
N#CCNC1CCC(NC(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001026573775	659398375	/nfs/dbraw/zinc/39/83/75/659398375.db2.gz	WFCHGBOZNMIWGL-UHFFFAOYSA-N	-1	0	314.349	0.177	20	30		DCEDRM
CCN(C(=O)c1ccc(C#N)[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC000949912592	659704945	/nfs/dbraw/zinc/70/49/45/659704945.db2.gz	CXZPLAZLZJEPBE-UHFFFAOYSA-N	-1	0	315.337	0.057	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)[N-]OCCSC	ZINC000814181228	661653793	/nfs/dbraw/zinc/65/37/93/661653793.db2.gz	WGWHXWDTQFHYJX-WDEREUQCSA-N	-1	0	302.396	0.495	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000909504473	662145820	/nfs/dbraw/zinc/14/58/20/662145820.db2.gz	GOEXEKCFGKCOMK-JQWIXIFHSA-N	-1	0	306.322	0.341	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC000984587004	662238778	/nfs/dbraw/zinc/23/87/78/662238778.db2.gz	OZXIIZRWNHOVRH-GXSJLCMTSA-N	-1	0	319.365	0.646	20	30		DCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000797308344	662472311	/nfs/dbraw/zinc/47/23/11/662472311.db2.gz	XXJDUEZXVZADDQ-SECBINFHSA-N	-1	0	310.331	0.488	20	30		DCEDRM
C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C	ZINC000986488614	662593712	/nfs/dbraw/zinc/59/37/12/662593712.db2.gz	QKDPTOICXDUDCI-SFYZADRCSA-N	-1	0	313.745	0.228	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N[C@]2(CC(=O)[O-])CCOC2)cc1	ZINC000263104350	662632891	/nfs/dbraw/zinc/63/28/91/662632891.db2.gz	WELQNWMBYAMIAX-HNNXBMFYSA-N	-1	0	304.302	0.687	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC000988296970	662748670	/nfs/dbraw/zinc/74/86/70/662748670.db2.gz	RLHACYLUVVXEJL-KOLCDFICSA-N	-1	0	319.365	0.504	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)[C@H]1C	ZINC000988876129	662869400	/nfs/dbraw/zinc/86/94/00/662869400.db2.gz	QJJURJNLFSMBDE-DCQANWLSSA-N	-1	0	319.365	0.115	20	30		DCEDRM
COCC1(S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)CC1	ZINC000899926352	663201179	/nfs/dbraw/zinc/20/11/79/663201179.db2.gz	LAFFOWHYQBNXJF-LLVKDONJSA-N	-1	0	301.364	0.295	20	30		DCEDRM
C[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)C1	ZINC000899926931	663201216	/nfs/dbraw/zinc/20/12/16/663201216.db2.gz	QDOXDRKWOIVMGN-NEPJUHHUSA-N	-1	0	300.380	0.373	20	30		DCEDRM
C#CCN(CC#CC)C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000900854172	663287833	/nfs/dbraw/zinc/28/78/33/663287833.db2.gz	KKXFUJOLOHYZGZ-UHFFFAOYSA-N	-1	0	323.356	0.671	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)[C@H]2CCO[C@@H](C)C2)C1	ZINC000906007004	663595216	/nfs/dbraw/zinc/59/52/16/663595216.db2.gz	PAWQHDQXKJFWOU-QWRGUYRKSA-N	-1	0	303.380	0.846	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)[C@H]1CCCO1	ZINC000906935694	663652766	/nfs/dbraw/zinc/65/27/66/663652766.db2.gz	UHJHJEZZGUZWQS-QWHCGFSZSA-N	-1	0	309.343	0.844	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000907015116	663660315	/nfs/dbraw/zinc/66/03/15/663660315.db2.gz	PHFCCURURFPVKA-VIFPVBQESA-N	-1	0	301.345	0.469	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)C1	ZINC000907128303	663669911	/nfs/dbraw/zinc/66/99/11/663669911.db2.gz	QAPGOLDIKVFWHW-UHFFFAOYSA-N	-1	0	313.306	0.201	20	30		DCEDRM
CO[C@@H]1CCOC[C@H]1NS(=O)(=O)Cc1csc(C#N)c1	ZINC000907841984	663721539	/nfs/dbraw/zinc/72/15/39/663721539.db2.gz	OUJFHZHUEBOJCQ-VXGBXAGGSA-N	-1	0	316.404	0.843	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)NCCOC[C@@H]1CCOC1)C(=O)[O-]	ZINC000908949362	663775922	/nfs/dbraw/zinc/77/59/22/663775922.db2.gz	XMQIFLVCOPVZNC-VXGBXAGGSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)NCCOC[C@H]1CCOC1)C(=O)[O-]	ZINC000908949361	663775958	/nfs/dbraw/zinc/77/59/58/663775958.db2.gz	XMQIFLVCOPVZNC-RYUDHWBXSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1nn(C)c2c1CCCC2)C(=O)[O-]	ZINC000909772657	663800809	/nfs/dbraw/zinc/80/08/09/663800809.db2.gz	UMMZKRBNYHYWAL-LLVKDONJSA-N	-1	0	307.350	0.685	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)C(=O)[O-]	ZINC000910052364	663837378	/nfs/dbraw/zinc/83/73/78/663837378.db2.gz	VPWZNKYDLTYRGU-OCCSQVGLSA-N	-1	0	314.341	0.941	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(N2CCOCC2)ccn1)C(=O)[O-]	ZINC000910052045	663837472	/nfs/dbraw/zinc/83/74/72/663837472.db2.gz	LXZBKLBILWDLHC-GFCCVEGCSA-N	-1	0	303.318	0.125	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)C(=O)[O-]	ZINC000910054757	663837855	/nfs/dbraw/zinc/83/78/55/663837855.db2.gz	SIUDTIOHCWDYGD-NEPJUHHUSA-N	-1	0	324.402	0.671	20	30		DCEDRM
C#CC[C@@H](NC(=O)C1CCN(C(=O)N(CC)CC)CC1)C(=O)[O-]	ZINC000910053895	663837979	/nfs/dbraw/zinc/83/79/79/663837979.db2.gz	ZLWGTYMYIOUYGK-CYBMUJFWSA-N	-1	0	323.393	0.753	20	30		DCEDRM
C#CC[C@@H](NC(=O)CNC(=O)CCc1ccc(C)cc1)C(=O)[O-]	ZINC000910054688	663837992	/nfs/dbraw/zinc/83/79/92/663837992.db2.gz	RUCONUNSXQYYDK-CQSZACIVSA-N	-1	0	316.357	0.637	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1COc2ccc(OC)cc2C1)C(=O)[O-]	ZINC000910045996	663840450	/nfs/dbraw/zinc/84/04/50/663840450.db2.gz	JFLKEYVTGPTWGB-AAEUAGOBSA-N	-1	0	303.314	0.839	20	30		DCEDRM
C=C[C@](C)(O)C(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F	ZINC000910351780	663876958	/nfs/dbraw/zinc/87/69/58/663876958.db2.gz	PRJOBXHCPTXHRM-RCOVLWMOSA-N	-1	0	301.286	0.788	20	30		DCEDRM
C=CCOc1ccc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1OC	ZINC000910532538	663901564	/nfs/dbraw/zinc/90/15/64/663901564.db2.gz	GVVGGGQHOCLVMA-MRXNPFEDSA-N	-1	0	321.329	0.922	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)[O-]	ZINC000910913803	663956088	/nfs/dbraw/zinc/95/60/88/663956088.db2.gz	DBPZRMJUCFDRNX-MNOVXSKESA-N	-1	0	300.380	0.834	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC000910924871	663956782	/nfs/dbraw/zinc/95/67/82/663956782.db2.gz	FXPGCRPFTFTTTL-PWSUYJOCSA-N	-1	0	306.366	0.846	20	30		DCEDRM
C=C[C@@H](O)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C	ZINC000911316462	664031906	/nfs/dbraw/zinc/03/19/06/664031906.db2.gz	YKBNPNXTWHGWKI-BXUZGUMPSA-N	-1	0	304.346	0.969	20	30		DCEDRM
C=CCn1cccc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001030447521	664548746	/nfs/dbraw/zinc/54/87/46/664548746.db2.gz	YHMYDPKFNSJNLT-UHFFFAOYSA-N	-1	0	302.338	0.112	20	30		DCEDRM
O=c1nc(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)nc2[nH][nH]cc1-2	ZINC000731154364	664840845	/nfs/dbraw/zinc/84/08/45/664840845.db2.gz	IVOWXGZBKQLHFE-UHFFFAOYSA-N	-1	0	315.249	0.492	20	30		DCEDRM
Cc1c(C(=O)[O-])oc2c1C(=NNC(=S)NCC(N)=O)CCC2	ZINC000731928445	664892105	/nfs/dbraw/zinc/89/21/05/664892105.db2.gz	PCTFJESHNFSZCX-UHFFFAOYSA-N	-1	0	324.362	0.276	20	30		DCEDRM
N#CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccc1	ZINC000731983144	664895924	/nfs/dbraw/zinc/89/59/24/664895924.db2.gz	UXNNUNAAMPCDAE-UHFFFAOYSA-N	-1	0	308.301	0.628	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2COCCO2)n1	ZINC000915414962	664898444	/nfs/dbraw/zinc/89/84/44/664898444.db2.gz	IRHIHSIYUZXCKR-MWLCHTKSSA-N	-1	0	310.331	0.586	20	30		DCEDRM
Cc1ccccc1C([O-])=C(C#N)C(=O)N1CCS(=O)(=O)CC1	ZINC000732907780	664973424	/nfs/dbraw/zinc/97/34/24/664973424.db2.gz	DACFBXGRKBYWIC-ZDUSSCGKSA-N	-1	0	320.370	0.575	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn(-c2ccccc2)nn1	ZINC000916891394	665099382	/nfs/dbraw/zinc/09/93/82/665099382.db2.gz	VWEPBATYTOAZEM-GFCCVEGCSA-N	-1	0	313.317	0.352	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(CNC(N)=O)cc1	ZINC000916946781	665104320	/nfs/dbraw/zinc/10/43/20/665104320.db2.gz	KDRDLXSKHGKNCY-LBPRGKRZSA-N	-1	0	302.334	0.702	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(OCC(N)=O)c1	ZINC000916952467	665105853	/nfs/dbraw/zinc/10/58/53/665105853.db2.gz	VYIURXKVZULWDD-GFCCVEGCSA-N	-1	0	303.318	0.398	20	30		DCEDRM
COC(=O)COc1cccc(C([O-])=C(C#N)C(=O)NC2CC2)c1	ZINC000918487444	665172060	/nfs/dbraw/zinc/17/20/60/665172060.db2.gz	SYTBMRQNHCPNHK-CYBMUJFWSA-N	-1	0	316.313	0.839	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@H](CO)C2)c(F)c1	ZINC000922064885	666241659	/nfs/dbraw/zinc/24/16/59/666241659.db2.gz	UZSMUBLRHYCKHY-KYZUINATSA-N	-1	0	302.302	0.886	20	30		DCEDRM
CS(=O)(=O)CCNN=Cc1cccc(OCC(=O)[O-])c1	ZINC000733205652	666347146	/nfs/dbraw/zinc/34/71/46/666347146.db2.gz	FOMKDYZIGZVQCA-UHFFFAOYSA-N	-1	0	300.336	0.118	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1	ZINC000733680839	666793119	/nfs/dbraw/zinc/79/31/19/666793119.db2.gz	BKTGOFZYOCJOSY-UHFFFAOYSA-N	-1	0	317.388	0.861	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)COC2CCOCC2)c1	ZINC000735397876	666984195	/nfs/dbraw/zinc/98/41/95/666984195.db2.gz	YJEZSAJFAGTPIN-UHFFFAOYSA-N	-1	0	324.358	0.559	20	30		DCEDRM
C#CCO[N-]C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1	ZINC000862183897	667026867	/nfs/dbraw/zinc/02/68/67/667026867.db2.gz	POMZMEYXCLYDGN-UHFFFAOYSA-N	-1	0	304.302	0.051	20	30		DCEDRM
COCC(COC)NN=Cc1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000863196750	667117157	/nfs/dbraw/zinc/11/71/57/667117157.db2.gz	UHHRQHKWBNSJDU-UHFFFAOYSA-N	-1	0	313.310	0.894	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-]	ZINC000863419910	667141826	/nfs/dbraw/zinc/14/18/26/667141826.db2.gz	HRENEJHEILNWIE-UWVGGRQHSA-N	-1	0	311.787	0.928	20	30		DCEDRM
C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2C#N)CC[C@@H]1C(=O)[O-]	ZINC000863733947	667173785	/nfs/dbraw/zinc/17/37/85/667173785.db2.gz	HWWOXSQYZJMCDQ-ZJUUUORDSA-N	-1	0	323.374	0.753	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000864182844	667222269	/nfs/dbraw/zinc/22/22/69/667222269.db2.gz	ACDUQNASBDGBMS-SECBINFHSA-N	-1	0	316.701	0.893	20	30		DCEDRM
C=CCN1CCC(NS(=O)(=O)N=S(=O)(CC)CC)CC1	ZINC000866744331	667393321	/nfs/dbraw/zinc/39/33/21/667393321.db2.gz	ILGYDHQYUMTAHM-UHFFFAOYSA-N	-1	0	323.484	0.979	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CNC(=O)CC(C)(C)C	ZINC000122711322	667672906	/nfs/dbraw/zinc/67/29/06/667672906.db2.gz	AZTSASAMCKKTOW-SNVBAGLBSA-N	-1	0	304.350	0.864	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)CCC1	ZINC000838861025	667714900	/nfs/dbraw/zinc/71/49/00/667714900.db2.gz	VDIOXJJGJQXLSZ-HBNTYKKESA-N	-1	0	310.375	0.741	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)[C@H](C)O1	ZINC000870297668	667728557	/nfs/dbraw/zinc/72/85/57/667728557.db2.gz	RWCXAOYUDAMRPG-OUAUKWLOSA-N	-1	0	300.380	0.940	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@]1(CC(C)C)CCNC1=O	ZINC000870330874	667731660	/nfs/dbraw/zinc/73/16/60/667731660.db2.gz	HSFBTQZDJFZJTK-CYBMUJFWSA-N	-1	0	300.380	0.008	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccn(C(C)(C)C)c1=O	ZINC000870332412	667731816	/nfs/dbraw/zinc/73/18/16/667731816.db2.gz	VPDPJFXJLVKEHB-UHFFFAOYSA-N	-1	0	310.375	0.686	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CNC(=O)c1ccccc1	ZINC000123106094	667736033	/nfs/dbraw/zinc/73/60/33/667736033.db2.gz	UIPQBYZZILBGNB-LBPRGKRZSA-N	-1	0	310.313	0.742	20	30		DCEDRM
C[C@H](NC(=O)c1ccoc1)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123316414	667758216	/nfs/dbraw/zinc/75/82/16/667758216.db2.gz	DNYHVNJPNLVZEW-ONGXEEELSA-N	-1	0	314.301	0.723	20	30		DCEDRM
C[C@@H](NC(=O)c1ccoc1)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123316182	667758334	/nfs/dbraw/zinc/75/83/34/667758334.db2.gz	DNYHVNJPNLVZEW-MWLCHTKSSA-N	-1	0	314.301	0.723	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2cnn3c2CCCC3)CC1	ZINC000870839183	667765517	/nfs/dbraw/zinc/76/55/17/667765517.db2.gz	FSSBMRPRNVNAAI-UHFFFAOYSA-N	-1	0	309.391	0.927	20	30		DCEDRM
C=CCn1c(=O)c2ccc(C(=O)NC3COC3)cc2[n-]c1=S	ZINC000870865480	667767689	/nfs/dbraw/zinc/76/76/89/667767689.db2.gz	WOXCEQKCYDYXKV-UHFFFAOYSA-N	-1	0	317.370	1.000	20	30		DCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1C#N	ZINC000744239693	667823721	/nfs/dbraw/zinc/82/37/21/667823721.db2.gz	FGZJTWSWVBTTFO-JTQLQIEISA-N	-1	0	311.363	0.638	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1	ZINC000871939957	667858431	/nfs/dbraw/zinc/85/84/31/667858431.db2.gz	LEEPKKMTGGQOFL-UHFFFAOYSA-N	-1	0	311.359	0.930	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000871972943	667860945	/nfs/dbraw/zinc/86/09/45/667860945.db2.gz	FEGTYVHPIDJFFG-GFCCVEGCSA-N	-1	0	309.343	0.716	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000871996644	667864777	/nfs/dbraw/zinc/86/47/77/667864777.db2.gz	SETAMCBFHHXJEN-NXEZZACHSA-N	-1	0	311.787	0.928	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000746434343	667877250	/nfs/dbraw/zinc/87/72/50/667877250.db2.gz	BVCGIZALQFHJFZ-UHFFFAOYSA-N	-1	0	307.759	0.471	20	30		DCEDRM
CC(=NNCCS(C)(=O)=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749620961	667958871	/nfs/dbraw/zinc/95/88/71/667958871.db2.gz	BIQUFKLYPHWGHE-UHFFFAOYSA-N	-1	0	301.324	0.659	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1)C2	ZINC000873001667	667963112	/nfs/dbraw/zinc/96/31/12/667963112.db2.gz	RMBBLXHNSWHSBB-RDBSUJKOSA-N	-1	0	300.314	0.774	20	30		DCEDRM
CNC(=O)CNC(=S)NN=Cc1cc(F)c([O-])c(F)c1	ZINC000749858992	667966021	/nfs/dbraw/zinc/96/60/21/667966021.db2.gz	LVKKNNPQEZZFHC-UHFFFAOYSA-N	-1	0	302.306	0.214	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000750758279	667987232	/nfs/dbraw/zinc/98/72/32/667987232.db2.gz	JSHYWRQBDMFKCA-UHFFFAOYSA-N	-1	0	315.307	0.387	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)c(OCC(=O)OC)c(C)c1	ZINC000752164085	668013898	/nfs/dbraw/zinc/01/38/98/668013898.db2.gz	BOOCZTPCJWKHSE-GFCCVEGCSA-N	-1	0	318.329	0.924	20	30		DCEDRM
C#CCOCCNC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-]	ZINC000753239504	668027793	/nfs/dbraw/zinc/02/77/93/668027793.db2.gz	BIYPIGVQEWLXIT-UHFFFAOYSA-N	-1	0	315.329	0.966	20	30		DCEDRM
Cc1cc(O)cc2c1C(=O)/C(=C\c1cn(CC(=O)[O-])nn1)O2	ZINC000759077969	668205599	/nfs/dbraw/zinc/20/55/99/668205599.db2.gz	XZPFZEPQDWLNQV-QDEBKDIKSA-N	-1	0	301.258	0.993	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C	ZINC000759419931	668219248	/nfs/dbraw/zinc/21/92/48/668219248.db2.gz	NACGPSGZXFSHAZ-UHFFFAOYSA-N	-1	0	323.374	0.392	20	30		DCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1coc(C(N)=O)c1	ZINC000760198454	668263115	/nfs/dbraw/zinc/26/31/15/668263115.db2.gz	VXRGGTZKTSMGQQ-NSHDSACASA-N	-1	0	321.333	0.632	20	30		DCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)cn1	ZINC000760400758	668270084	/nfs/dbraw/zinc/27/00/84/668270084.db2.gz	OGXGNGQHOBDNOH-UHFFFAOYSA-N	-1	0	310.379	0.954	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1cncnc1	ZINC000761102524	668305648	/nfs/dbraw/zinc/30/56/48/668305648.db2.gz	ZBUIHWRBSXFDGD-UHFFFAOYSA-N	-1	0	302.315	0.608	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(CS(N)(=O)=O)c1	ZINC000762048412	668344626	/nfs/dbraw/zinc/34/46/26/668344626.db2.gz	VMRUWBXJOZHHLN-UHFFFAOYSA-N	-1	0	312.347	0.188	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)s1	ZINC000762144167	668348968	/nfs/dbraw/zinc/34/89/68/668348968.db2.gz	YDZFZDDWDMYLEF-MRVPVSSYSA-N	-1	0	300.361	0.716	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2	ZINC000764052206	668432913	/nfs/dbraw/zinc/43/29/13/668432913.db2.gz	JZRQVHQPMYROIC-UHFFFAOYSA-N	-1	0	312.351	0.275	20	30		DCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000764214046	668439697	/nfs/dbraw/zinc/43/96/97/668439697.db2.gz	BAGWDPJIZNVDSN-SNVBAGLBSA-N	-1	0	312.347	0.418	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(F)cc1	ZINC000764778202	668462134	/nfs/dbraw/zinc/46/21/34/668462134.db2.gz	CTSSVJMMDBFPHB-UHFFFAOYSA-N	-1	0	300.311	0.188	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCOC1	ZINC000766982249	668556190	/nfs/dbraw/zinc/55/61/90/668556190.db2.gz	NVBYAQPZMKWBEW-NSHDSACASA-N	-1	0	324.358	0.798	20	30		DCEDRM
CCON=C(C)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1	ZINC000767464908	668574069	/nfs/dbraw/zinc/57/40/69/668574069.db2.gz	UWFZYHGRVJLZAD-UHFFFAOYSA-N	-1	0	300.336	0.810	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)c1cc(OC(F)F)n(C)n1	ZINC000768001854	668596105	/nfs/dbraw/zinc/59/61/05/668596105.db2.gz	VNSMZZJQJGFMNW-ZETCQYMHSA-N	-1	0	323.259	0.960	20	30		DCEDRM
COc1cc(O)c(C=Nn2c(=O)c(C)n[n-]c2=S)cc1OC	ZINC000768351528	668605836	/nfs/dbraw/zinc/60/58/36/668605836.db2.gz	HYUQGZIKVZEEST-UHFFFAOYSA-N	-1	0	322.346	0.840	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](COC)C1CCOCC1	ZINC000929040923	668646205	/nfs/dbraw/zinc/64/62/05/668646205.db2.gz	CNSPMFIZEZKLSP-GFCCVEGCSA-N	-1	0	300.355	0.710	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc([S@@](C)=O)c1	ZINC000770837925	668719066	/nfs/dbraw/zinc/71/90/66/668719066.db2.gz	DLFTVTJRLUJZJL-XUSGNXJCSA-N	-1	0	308.359	0.509	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CC(=O)N(C2CC2)C1	ZINC000770868726	668720922	/nfs/dbraw/zinc/72/09/22/668720922.db2.gz	OLMGLCXGJPGYNM-GXSJLCMTSA-N	-1	0	300.318	0.323	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CC(=O)N(C2CC2)C1	ZINC000770868730	668720927	/nfs/dbraw/zinc/72/09/27/668720927.db2.gz	OLMGLCXGJPGYNM-ONGXEEELSA-N	-1	0	300.318	0.323	20	30		DCEDRM
CC(C)CN1C[C@@H](C(=O)C(C#N)=C([O-])c2nccn2C)CC1=O	ZINC000770868736	668721050	/nfs/dbraw/zinc/72/10/50/668721050.db2.gz	OTFUUAJDWRPCIH-RYUDHWBXSA-N	-1	0	316.361	0.816	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCO1	ZINC000771055853	668728737	/nfs/dbraw/zinc/72/87/37/668728737.db2.gz	HGGZLSANNGWMPD-MNOVXSKESA-N	-1	0	300.380	0.941	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCN2CCCC2=O)CCC1	ZINC000771077045	668730169	/nfs/dbraw/zinc/73/01/69/668730169.db2.gz	MBSSTDNPWMMXGJ-UHFFFAOYSA-N	-1	0	313.379	0.139	20	30		DCEDRM
Cc1cc(OCC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)no1	ZINC000771073959	668730181	/nfs/dbraw/zinc/73/01/81/668730181.db2.gz	NQVITNJIQVJCDO-UHFFFAOYSA-N	-1	0	313.335	0.502	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)CC)cc1	ZINC000772721262	668782730	/nfs/dbraw/zinc/78/27/30/668782730.db2.gz	JVEPJTIDMDMYHR-UHFFFAOYSA-N	-1	0	317.388	0.726	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cccc2c1COC2=O	ZINC000773376354	668801672	/nfs/dbraw/zinc/80/16/72/668801672.db2.gz	QISFGBWWSIPLBA-UHFFFAOYSA-N	-1	0	304.287	0.753	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)Nc1ccc(C#N)cc1OC	ZINC000773625567	668809631	/nfs/dbraw/zinc/80/96/31/668809631.db2.gz	DAQOKMSYZFQVSF-UHFFFAOYSA-N	-1	0	307.306	0.590	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc2scc(C)n2c1=O	ZINC000776537954	668877271	/nfs/dbraw/zinc/87/72/71/668877271.db2.gz	QXQVAGCRGLBEAP-UHFFFAOYSA-N	-1	0	313.360	0.310	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-]	ZINC000776596571	668878928	/nfs/dbraw/zinc/87/89/28/668878928.db2.gz	GKWMCEQSFYGOGZ-VIFPVBQESA-N	-1	0	317.319	0.764	20	30		DCEDRM
O=[N+]([O-])c1cc(C=NNC2CCS(=O)(=O)CC2)ccc1[O-]	ZINC000776791970	668881400	/nfs/dbraw/zinc/88/14/00/668881400.db2.gz	NACJNEPHDGUONQ-UHFFFAOYSA-N	-1	0	313.335	0.801	20	30		DCEDRM
C[C@](O)(C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1	ZINC000805576670	668882357	/nfs/dbraw/zinc/88/23/57/668882357.db2.gz	DVIGZPWGVWLDMW-CQSZACIVSA-N	-1	0	302.290	0.511	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(-c2cccc(Cl)c2)n1	ZINC000777304604	668886201	/nfs/dbraw/zinc/88/62/01/668886201.db2.gz	WDVHYQBNDPLVOO-JTQLQIEISA-N	-1	0	303.709	0.989	20	30		DCEDRM
COCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)CC1	ZINC000779189410	668908308	/nfs/dbraw/zinc/90/83/08/668908308.db2.gz	NYXQMDFRDZABQS-UHFFFAOYSA-N	-1	0	308.359	0.931	20	30		DCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cnn1C	ZINC000779313857	668909560	/nfs/dbraw/zinc/90/95/60/668909560.db2.gz	ULBXZFAABCASGI-UHFFFAOYSA-N	-1	0	310.379	0.872	20	30		DCEDRM
CCn1cc(CC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cn1	ZINC000781442734	669043994	/nfs/dbraw/zinc/04/39/94/669043994.db2.gz	SIWZIFRMGZQIBP-UHFFFAOYSA-N	-1	0	318.358	0.822	20	30		DCEDRM
CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)CSCC#N)c1	ZINC000782703907	669117184	/nfs/dbraw/zinc/11/71/84/669117184.db2.gz	KFJVXWYHLOIELL-UHFFFAOYSA-N	-1	0	316.408	0.601	20	30		DCEDRM
COc1cc(C=NNS(C)(=O)=O)ccc1OCCC(=O)[O-]	ZINC000783853928	669179378	/nfs/dbraw/zinc/17/93/78/669179378.db2.gz	IMBIFQUNJHAAQZ-UHFFFAOYSA-N	-1	0	316.335	0.432	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@@H]1CCC[C@@H]1O)cc2=O	ZINC000783875003	669179440	/nfs/dbraw/zinc/17/94/40/669179440.db2.gz	BODXBUHMLZAJTP-MNOVXSKESA-N	-1	0	302.290	0.511	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)CO1	ZINC000784484262	669207543	/nfs/dbraw/zinc/20/75/43/669207543.db2.gz	KFXPOYGQRATPTC-MFKMUULPSA-N	-1	0	308.359	0.929	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)CO1	ZINC000784502222	669207684	/nfs/dbraw/zinc/20/76/84/669207684.db2.gz	XYEIJBZIRKBRQK-MFKMUULPSA-N	-1	0	308.359	0.929	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C#N)cc1C(N)=O	ZINC000786411958	669310237	/nfs/dbraw/zinc/31/02/37/669310237.db2.gz	NRGNPISKAWVQCO-UHFFFAOYSA-N	-1	0	323.374	0.839	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc2c1ncn2C	ZINC000805853789	669403569	/nfs/dbraw/zinc/40/35/69/669403569.db2.gz	NGESITLBCXHOTO-SNVBAGLBSA-N	-1	0	301.306	0.053	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2C(=O)O1	ZINC000791110629	669594068	/nfs/dbraw/zinc/59/40/68/669594068.db2.gz	GKPRDAKCHNDUOC-GFCCVEGCSA-N	-1	0	307.327	0.237	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCN2C(C)=O	ZINC000791110634	669594117	/nfs/dbraw/zinc/59/41/17/669594117.db2.gz	GMQCRVCXGVHAKU-UHFFFAOYSA-N	-1	0	320.370	0.679	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2C(=O)O1	ZINC000791110349	669594599	/nfs/dbraw/zinc/59/45/99/669594599.db2.gz	CEFSMPUDBBJLQX-LBPRGKRZSA-N	-1	0	307.327	0.237	20	30		DCEDRM
CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(C)n2)n1	ZINC000793122934	669702380	/nfs/dbraw/zinc/70/23/80/669702380.db2.gz	AWWLWSWAMRUNGO-SSDOTTSWSA-N	-1	0	305.319	0.938	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nc[nH]n2)cc1	ZINC000793126654	669703164	/nfs/dbraw/zinc/70/31/64/669703164.db2.gz	VCNPFVCZUPRPJB-GFCCVEGCSA-N	-1	0	313.317	0.557	20	30		DCEDRM
Cn1ncc2cc(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)cnc21	ZINC000793203644	669707322	/nfs/dbraw/zinc/70/73/22/669707322.db2.gz	AXIKDBYIJALREF-UHFFFAOYSA-N	-1	0	319.346	0.332	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)C1CC1	ZINC000796824612	669944021	/nfs/dbraw/zinc/94/40/21/669944021.db2.gz	VKZLCLFZLGUSAK-NSHDSACASA-N	-1	0	300.380	0.941	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1c(C)nn(C(F)F)c1C	ZINC000798202672	669991948	/nfs/dbraw/zinc/99/19/48/669991948.db2.gz	JOBJYCFKRVDDTQ-UHFFFAOYSA-N	-1	0	319.333	0.907	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCn1c(C)csc1=O	ZINC000798202379	669991985	/nfs/dbraw/zinc/99/19/85/669991985.db2.gz	BGSJXJXAMFIRHU-UHFFFAOYSA-N	-1	0	302.377	0.078	20	30		DCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cc1C#N	ZINC000799621524	670066961	/nfs/dbraw/zinc/06/69/61/670066961.db2.gz	KYMGOXNJYLVMQR-NSHDSACASA-N	-1	0	308.359	0.963	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1Br	ZINC000802121822	670151543	/nfs/dbraw/zinc/15/15/43/670151543.db2.gz	QXKCOSCCOFJUCQ-UHFFFAOYSA-N	-1	0	322.184	0.737	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC	ZINC000802154691	670153064	/nfs/dbraw/zinc/15/30/64/670153064.db2.gz	IVRFNTZXRFFTBA-AXFHLTTASA-N	-1	0	321.395	0.611	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)ccc1OC	ZINC000802890581	670222232	/nfs/dbraw/zinc/22/22/32/670222232.db2.gz	CNPIFINCWNPSGD-UHFFFAOYSA-N	-1	0	324.358	0.403	20	30		DCEDRM
CC#CCN1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CC1	ZINC000949141130	670270874	/nfs/dbraw/zinc/27/08/74/670270874.db2.gz	NCINPERIMCKKKY-UHFFFAOYSA-N	-1	0	318.421	0.542	20	30		DCEDRM
O=C([N-]S(=O)(=O)N1CCCC1)c1cccc(-n2cccn2)n1	ZINC000077867075	670487914	/nfs/dbraw/zinc/48/79/14/670487914.db2.gz	NASUADZMNWMVBT-UHFFFAOYSA-N	-1	0	321.362	0.913	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)cc1	ZINC000810516485	670488182	/nfs/dbraw/zinc/48/81/82/670488182.db2.gz	AYVXXKQKVHQAQM-UHFFFAOYSA-N	-1	0	318.314	0.266	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1CCN(CC(F)F)CC1	ZINC000810773436	670496935	/nfs/dbraw/zinc/49/69/35/670496935.db2.gz	FDIMEVOMPJENRB-UHFFFAOYSA-N	-1	0	308.350	0.433	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nc(SC)ncc1Cl	ZINC000810776184	670497264	/nfs/dbraw/zinc/49/72/64/670497264.db2.gz	JUPOQQLBPIPOQW-UHFFFAOYSA-N	-1	0	319.795	0.935	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CN1C(=O)CCc2ccccc21	ZINC000810782177	670497797	/nfs/dbraw/zinc/49/77/97/670497797.db2.gz	ZDYWJEXCJASYJG-UHFFFAOYSA-N	-1	0	320.370	0.435	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccnc1OCCOC	ZINC000810781279	670497804	/nfs/dbraw/zinc/49/78/04/670497804.db2.gz	MPFTYRPTOXQXBB-UHFFFAOYSA-N	-1	0	312.347	0.190	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(Cn2cncn2)cc1	ZINC000810786595	670498059	/nfs/dbraw/zinc/49/80/59/670498059.db2.gz	PMPKXSJTHGVPMT-UHFFFAOYSA-N	-1	0	318.358	0.409	20	30		DCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)n1	ZINC000810877449	670499370	/nfs/dbraw/zinc/49/93/70/670499370.db2.gz	WVJAXBULVFEIEF-SNVBAGLBSA-N	-1	0	309.347	0.439	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C(=O)CC)C2)CC1	ZINC000810983842	670501862	/nfs/dbraw/zinc/50/18/62/670501862.db2.gz	IPYRSUPIJMWKAX-LLVKDONJSA-N	-1	0	314.407	0.800	20	30		DCEDRM
CCOC[C@H](NS(=O)(=O)Cc1ccccc1C#N)C(=O)[O-]	ZINC000811673197	670540924	/nfs/dbraw/zinc/54/09/24/670540924.db2.gz	GMFKBTMMVYXXEN-LBPRGKRZSA-N	-1	0	312.347	0.467	20	30		DCEDRM
N#Cc1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1F	ZINC000813258788	670617743	/nfs/dbraw/zinc/61/77/43/670617743.db2.gz	JUIAMCUGSGHBQJ-UHFFFAOYSA-N	-1	0	312.264	0.721	20	30		DCEDRM
CCOc1nc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)co1	ZINC000813978270	670666490	/nfs/dbraw/zinc/66/64/90/670666490.db2.gz	DMYKJABWSUWLIE-UHFFFAOYSA-N	-1	0	322.302	0.459	20	30		DCEDRM
COc1ncccc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813978213	670666787	/nfs/dbraw/zinc/66/67/87/670666787.db2.gz	BKXOXEIIHUFYFZ-UHFFFAOYSA-N	-1	0	318.314	0.476	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2cc(C3CC3)n[nH]2)c1	ZINC000813980703	670667286	/nfs/dbraw/zinc/66/72/86/670667286.db2.gz	KJRMIZZUGVSRSC-UHFFFAOYSA-N	-1	0	317.330	0.672	20	30		DCEDRM
CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813982190	670667826	/nfs/dbraw/zinc/66/78/26/670667826.db2.gz	UIRXFLUVGJHWEN-UHFFFAOYSA-N	-1	0	319.346	0.597	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)[N-]OC1CCOCC1	ZINC000814181461	670679261	/nfs/dbraw/zinc/67/92/61/670679261.db2.gz	ZXKDRRVUQUSJMX-AAEUAGOBSA-N	-1	0	312.366	0.311	20	30		DCEDRM
Cc1ccc(C)c(NC(=S)NN=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000814213962	670680970	/nfs/dbraw/zinc/68/09/70/670680970.db2.gz	NIOTZOCXQPBODJ-UHFFFAOYSA-N	-1	0	319.346	0.312	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(N2CCOCC2)c(F)c1	ZINC000814232265	670682010	/nfs/dbraw/zinc/68/20/10/670682010.db2.gz	ZDNCDQIDPFXFRU-UHFFFAOYSA-N	-1	0	307.285	0.547	20	30		DCEDRM
CCOC(=O)c1ccc(NN=C2C(=O)[N-]C(=O)NC2=O)cc1C	ZINC000814229478	670682073	/nfs/dbraw/zinc/68/20/73/670682073.db2.gz	ZXBYHXFJUSINFO-UHFFFAOYSA-N	-1	0	318.289	0.306	20	30		DCEDRM
O=C([O-])C1(c2ccccc2)CC(=NN[C@H]2CCS(=O)(=O)C2)C1	ZINC000814680110	670701750	/nfs/dbraw/zinc/70/17/50/670701750.db2.gz	AVWZYWWBLFHOAP-SFVWDYPZSA-N	-1	0	322.386	0.936	20	30		DCEDRM
Cc1c[nH]nc1C=NNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000814864441	670706866	/nfs/dbraw/zinc/70/68/66/670706866.db2.gz	DFOUCNQULMROAN-UHFFFAOYSA-N	-1	0	309.307	0.939	20	30		DCEDRM
Cn1ncc(C2CC2)c1/C=C\C(=O)c1cn(CC(=O)[O-])nn1	ZINC000849250582	670769107	/nfs/dbraw/zinc/76/91/07/670769107.db2.gz	USXTXVZHOPJWTK-PLNGDYQASA-N	-1	0	301.306	0.870	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C#N)cc(N(C)C)c1	ZINC000815906900	670771254	/nfs/dbraw/zinc/77/12/54/670771254.db2.gz	MCXTXNAYBTWIQZ-CQSZACIVSA-N	-1	0	314.345	0.709	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000817113339	670895984	/nfs/dbraw/zinc/89/59/84/670895984.db2.gz	BLLLEMNGXISSNO-NSHDSACASA-N	-1	0	312.391	0.182	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)[C@H]1CCOC1	ZINC000850740308	670937254	/nfs/dbraw/zinc/93/72/54/670937254.db2.gz	VGIUQMCMLIXVLN-WCQYABFASA-N	-1	0	324.358	0.415	20	30		DCEDRM
COC[C@@H](OC)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000850734685	670937549	/nfs/dbraw/zinc/93/75/49/670937549.db2.gz	AXUNTNAJJADTFF-GFCCVEGCSA-N	-1	0	312.347	0.166	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])[C@H]1CCCO1	ZINC000850786728	670939930	/nfs/dbraw/zinc/93/99/30/670939930.db2.gz	PHMDKGZRMTYLPJ-GXSJLCMTSA-N	-1	0	317.301	0.015	20	30		DCEDRM
COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000850844866	670948769	/nfs/dbraw/zinc/94/87/69/670948769.db2.gz	RRWRDYYQUPSIFP-LLVKDONJSA-N	-1	0	312.347	0.333	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000850926001	670955385	/nfs/dbraw/zinc/95/53/85/670955385.db2.gz	GSXKJCXKOVESCG-LLVKDONJSA-N	-1	0	301.368	0.207	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1COC[C@H]1c1ccccc1	ZINC000851000347	670960196	/nfs/dbraw/zinc/96/01/96/670960196.db2.gz	SNFAXBBGQMDSTK-UONOGXRCSA-N	-1	0	307.371	0.886	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H](n1cccn1)C(F)(F)F	ZINC000850999799	670960374	/nfs/dbraw/zinc/96/03/74/670960374.db2.gz	KMCAGXHWFDQFTP-VIFPVBQESA-N	-1	0	323.296	0.846	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12	ZINC000851000375	670960379	/nfs/dbraw/zinc/96/03/79/670960379.db2.gz	UIJIIVFYRMTDGD-UTUOFQBUSA-N	-1	0	312.391	0.151	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1	ZINC000851329841	670978882	/nfs/dbraw/zinc/97/88/82/670978882.db2.gz	RCRBQHHBNKANIK-UHFFFAOYSA-N	-1	0	310.291	0.489	20	30		DCEDRM
COc1cc(CS(=O)(=O)[N-]C(=O)[C@H](C)CC#N)sn1	ZINC000851438055	670988737	/nfs/dbraw/zinc/98/87/37/670988737.db2.gz	ZZBSJZWQUWMHGW-SSDOTTSWSA-N	-1	0	303.365	0.647	20	30		DCEDRM
N#CCn1c(CN2CC[C@H](C(=O)[O-])C2)nc2ccccc2c1=O	ZINC000819090817	671095001	/nfs/dbraw/zinc/09/50/01/671095001.db2.gz	DQLABMYRHWOYQA-NSHDSACASA-N	-1	0	312.329	0.827	20	30		DCEDRM
O=C(CCCOc1ccc2c(c1)OCO2)N[C@@H]1CCN(O)C1=O	ZINC000820148650	671171681	/nfs/dbraw/zinc/17/16/81/671171681.db2.gz	JDAQEGJVCNJWRJ-LLVKDONJSA-N	-1	0	322.317	0.681	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1NCC1(C(=O)[O-])CCC1	ZINC000852913528	671193686	/nfs/dbraw/zinc/19/36/86/671193686.db2.gz	YKXAIJQDMOMQJE-UHFFFAOYSA-N	-1	0	309.347	0.872	20	30		DCEDRM
CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000860448062	671209625	/nfs/dbraw/zinc/20/96/25/671209625.db2.gz	HHXUNMYPNSDLHK-ZDUSSCGKSA-N	-1	0	323.374	0.275	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)CCC1	ZINC000853206700	671219249	/nfs/dbraw/zinc/21/92/49/671219249.db2.gz	TZWLLKIELKWZEG-LLVKDONJSA-N	-1	0	305.396	0.840	20	30		DCEDRM
CCC[C@H](OCC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000860784778	671238297	/nfs/dbraw/zinc/23/82/97/671238297.db2.gz	GELMILIDIHBBOK-LBPRGKRZSA-N	-1	0	311.363	0.963	20	30		DCEDRM
Cc1ccc(/C=C\C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)cc1	ZINC000821012184	671245166	/nfs/dbraw/zinc/24/51/66/671245166.db2.gz	FNHGVXFISDLNMS-HJWRWDBZSA-N	-1	0	300.314	0.994	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)N(C)CC(F)(F)F	ZINC000821584105	671284657	/nfs/dbraw/zinc/28/46/57/671284657.db2.gz	RLZSUOUFXPYJEQ-ZETCQYMHSA-N	-1	0	301.290	0.229	20	30		DCEDRM
CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000821584122	671284824	/nfs/dbraw/zinc/28/48/24/671284824.db2.gz	RXGWZWWGUOZMEL-UHFFFAOYSA-N	-1	0	309.347	0.296	20	30		DCEDRM
C#CC1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000824036763	671417150	/nfs/dbraw/zinc/41/71/50/671417150.db2.gz	RTENUIMKZUHRTE-UHFFFAOYSA-N	-1	0	300.318	0.082	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@H]1CCC(=O)C1)cc2=O	ZINC000830910336	671646498	/nfs/dbraw/zinc/64/64/98/671646498.db2.gz	PBOLTWJNSSOATO-QMMMGPOBSA-N	-1	0	300.274	0.719	20	30		DCEDRM
COC[C@@](C)(NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000831589891	671676058	/nfs/dbraw/zinc/67/60/58/671676058.db2.gz	AQRZDDQZQXBIQP-OAHLLOKOSA-N	-1	0	305.286	0.373	20	30		DCEDRM
COc1ccc(NC(=O)CN(CC#N)CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000832393627	671717816	/nfs/dbraw/zinc/71/78/16/671717816.db2.gz	DGLFOCCDQKNPBD-UHFFFAOYSA-N	-1	0	322.277	0.452	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1	ZINC000835115725	671788111	/nfs/dbraw/zinc/78/81/11/671788111.db2.gz	QWJZFXLECQLTLV-VIFPVBQESA-N	-1	0	316.766	0.719	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)n2C)nc1C	ZINC000835263169	671791854	/nfs/dbraw/zinc/79/18/54/671791854.db2.gz	BLLBJDXYUMPAAM-UHFFFAOYSA-N	-1	0	321.362	0.540	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(Br)n(C)n1	ZINC000835372335	671794831	/nfs/dbraw/zinc/79/48/31/671794831.db2.gz	RMOUQASIBARICE-UHFFFAOYSA-N	-1	0	320.168	0.266	20	30		DCEDRM
C[C@H](OCCc1ccccc1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835409789	671795553	/nfs/dbraw/zinc/79/55/53/671795553.db2.gz	MIMTZLAWHIKGBP-LBPRGKRZSA-N	-1	0	310.375	0.994	20	30		DCEDRM
COc1cc2c(cc1C(=O)[N-]S(=O)(=O)CCC#N)OCO2	ZINC000835408803	671795619	/nfs/dbraw/zinc/79/56/19/671795619.db2.gz	OAUPPRLLZHEDHX-UHFFFAOYSA-N	-1	0	312.303	0.397	20	30		DCEDRM
COCCN(CC#N)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000837236135	671852526	/nfs/dbraw/zinc/85/25/26/671852526.db2.gz	UVFXUALSOYTOEX-VIFPVBQESA-N	-1	0	309.288	0.688	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000840991789	671908663	/nfs/dbraw/zinc/90/86/63/671908663.db2.gz	ZFHSPLSZRVXKSF-CQSZACIVSA-N	-1	0	318.329	0.694	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1	ZINC000842299063	672004310	/nfs/dbraw/zinc/00/43/10/672004310.db2.gz	HOPXOCLZKHFUET-GHMZBOCLSA-N	-1	0	309.303	0.169	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C(=O)OC(C)(C)C	ZINC000842333300	672006355	/nfs/dbraw/zinc/00/63/55/672006355.db2.gz	HBFWYJGWQWCIAL-VIFPVBQESA-N	-1	0	316.379	0.714	20	30		DCEDRM
CCN(CCO)N=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000842535209	672017468	/nfs/dbraw/zinc/01/74/68/672017468.db2.gz	LKRNVSKBNRCBCL-UHFFFAOYSA-N	-1	0	311.294	0.706	20	30		DCEDRM
CC1(C(=O)[O-])CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1	ZINC000843036552	672055244	/nfs/dbraw/zinc/05/52/44/672055244.db2.gz	PKLQEHTYONXFOR-UHFFFAOYSA-N	-1	0	323.374	0.897	20	30		DCEDRM
Cc1onc(N)c1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844815317	672204600	/nfs/dbraw/zinc/20/46/00/672204600.db2.gz	LJHNCGFINNMPKD-UHFFFAOYSA-N	-1	0	313.335	0.054	20	30		DCEDRM
C[C@H]1OCC[C@H]1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844814764	672204751	/nfs/dbraw/zinc/20/47/51/672204751.db2.gz	KCQHYRPHBWDXKQ-ZYHUDNBSSA-N	-1	0	301.364	0.294	20	30		DCEDRM
C[C@H](C1CC1)N(C)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844816974	672204756	/nfs/dbraw/zinc/20/47/56/672204756.db2.gz	MXZASEJSQHOGEP-LLVKDONJSA-N	-1	0	314.407	0.762	20	30		DCEDRM
COCCCCS(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844819693	672205149	/nfs/dbraw/zinc/20/51/49/672205149.db2.gz	WHCYDDOAZHAMQM-UHFFFAOYSA-N	-1	0	303.380	0.543	20	30		DCEDRM
Cc1nnnn1-c1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1	ZINC000845442113	672248487	/nfs/dbraw/zinc/24/84/87/672248487.db2.gz	CTNWWNBIUMMBCC-ZDUSSCGKSA-N	-1	0	312.333	0.818	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)NC1(c2cccc(C#N)c2)CC1	ZINC000845533453	672256146	/nfs/dbraw/zinc/25/61/46/672256146.db2.gz	ALRZJCOEXRHZPR-UHFFFAOYSA-N	-1	0	302.334	0.914	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1	ZINC000846151771	672297926	/nfs/dbraw/zinc/29/79/26/672297926.db2.gz	GVFRHCWUBBMOHT-JTQLQIEISA-N	-1	0	305.334	0.949	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1	ZINC000846543178	672326377	/nfs/dbraw/zinc/32/63/77/672326377.db2.gz	GPZVGTIXKOCSEL-GXFFZTMASA-N	-1	0	302.334	0.729	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1n[nH]cc1Br	ZINC000718142584	685304565	/nfs/dbraw/zinc/30/45/65/685304565.db2.gz	CCVYURWPLRPQQK-UHFFFAOYSA-N	-1	0	317.143	0.954	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCn2cc(Cl)cn2)CC1	ZINC000793196516	685343724	/nfs/dbraw/zinc/34/37/24/685343724.db2.gz	UXRLLUBRIBJEKE-UHFFFAOYSA-N	-1	0	316.770	0.676	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)Cc2cccnc2)c1	ZINC000813984526	685351610	/nfs/dbraw/zinc/35/16/10/685351610.db2.gz	UPYWGHRPAFZKKG-UHFFFAOYSA-N	-1	0	302.315	0.396	20	30		DCEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)n2cnc(C#N)n2)c1	ZINC000798813584	685347204	/nfs/dbraw/zinc/34/72/04/685347204.db2.gz	ZZBWFXMERSQSEC-JTQLQIEISA-N	-1	0	319.346	0.524	20	30		DCEDRM
CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1	ZINC000850930786	685370880	/nfs/dbraw/zinc/37/08/80/685370880.db2.gz	XHRNLLQBJBYUBR-UHFFFAOYSA-N	-1	0	314.371	0.037	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC000956829355	686873497	/nfs/dbraw/zinc/87/34/97/686873497.db2.gz	YOSIGVNTWXXIIX-RTHLEPHNSA-N	-1	0	305.338	0.304	20	30		DCEDRM
C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000968540478	690311106	/nfs/dbraw/zinc/31/11/06/690311106.db2.gz	VNQGHQGXIPGRPI-KOLCDFICSA-N	-1	0	315.333	0.892	20	30		DCEDRM
CC#CCN1CC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001015986134	692535783	/nfs/dbraw/zinc/53/57/83/692535783.db2.gz	ARVDASYDSFECNN-SNVBAGLBSA-N	-1	0	300.318	0.756	20	30		DCEDRM
C#Cc1cncc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)c1	ZINC001570736066	1162606552	/nfs/dbraw/zinc/60/65/52/1162606552.db2.gz	QEGTWGSPIILTOB-SNVBAGLBSA-N	-1	0	314.349	0.137	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001570894907	1162644300	/nfs/dbraw/zinc/64/43/00/1162644300.db2.gz	LKJXHSPBXCPMHA-LLVKDONJSA-N	-1	0	305.382	0.640	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CCN(C(=O)C#CC(C)C)CC2)c1[O-]	ZINC001687282219	1157535846	/nfs/dbraw/zinc/53/58/46/1157535846.db2.gz	GSRJHIHEHZHLSM-UHFFFAOYSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001691068601	1157567245	/nfs/dbraw/zinc/56/72/45/1157567245.db2.gz	BUIZNGDDULEMJH-RYUDHWBXSA-N	-1	0	323.397	0.572	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2CN(C(=O)C#CC(C)(C)C)C2)c1[O-]	ZINC001745968143	1158233586	/nfs/dbraw/zinc/23/35/86/1158233586.db2.gz	WJTYJFSFTHUENV-UHFFFAOYSA-N	-1	0	318.377	0.661	20	30		DCEDRM
C#CCCCC(=O)N1CC([C@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001571941000	1162977504	/nfs/dbraw/zinc/97/75/04/1162977504.db2.gz	NVHVRLRBDQLFET-JTQLQIEISA-N	-1	0	318.377	0.804	20	30		DCEDRM
C[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1CCNCC#N	ZINC001691725246	1158963957	/nfs/dbraw/zinc/96/39/57/1158963957.db2.gz	RGCGHMOCJTYDGO-NXEZZACHSA-N	-1	0	320.353	0.027	20	30		DCEDRM
CN(OCc1ccccc1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001446532437	1159457449	/nfs/dbraw/zinc/45/74/49/1159457449.db2.gz	SMMQSHHCGXNYLS-UHFFFAOYSA-N	-1	0	314.301	0.411	20	30		DCEDRM
CSC[C@@](C)(C#N)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001607392720	1159796958	/nfs/dbraw/zinc/79/69/58/1159796958.db2.gz	JKSAOSPEWBIRRT-LLVKDONJSA-N	-1	0	315.376	0.703	20	30		DCEDRM
CC(C)COCCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001540461965	1159799175	/nfs/dbraw/zinc/79/91/75/1159799175.db2.gz	IKKVDTOUMZGTDS-UHFFFAOYSA-N	-1	0	322.365	0.390	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC001609320546	1159816580	/nfs/dbraw/zinc/81/65/80/1159816580.db2.gz	QISAQKGGXVQEKY-QMMMGPOBSA-N	-1	0	303.336	0.756	20	30		DCEDRM
C=CCCCC(=O)N(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001572294928	1163093841	/nfs/dbraw/zinc/09/38/41/1163093841.db2.gz	ZZGPFULGCLPSHL-VIFPVBQESA-N	-1	0	323.353	0.216	20	30		DCEDRM
C=CCCOCC(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001567928455	1160541804	/nfs/dbraw/zinc/54/18/04/1160541804.db2.gz	JCJLYEOFPSYIHY-NSHDSACASA-N	-1	0	309.370	0.136	20	30		DCEDRM
C#C[C@@](C)(CC)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001569251294	1160993372	/nfs/dbraw/zinc/99/33/72/1160993372.db2.gz	WRCDPYYRRSLLCC-HNNXBMFYSA-N	-1	0	300.318	0.798	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)Cn1cc([C@H](C)O)nn1)C(=O)[O-]	ZINC001573308109	1163411838	/nfs/dbraw/zinc/41/18/38/1163411838.db2.gz	PXVDVMCDEJFWSY-JGVFFNPUSA-N	-1	0	302.718	0.043	20	30		DCEDRM
C[C@@H](NC(=O)CC1(C#N)CCOCC1)c1nc(C(=O)[O-])n[nH]1	ZINC001573560080	1163499025	/nfs/dbraw/zinc/49/90/25/1163499025.db2.gz	PEOIXQRNXXZLFX-MRVPVSSYSA-N	-1	0	307.310	0.391	20	30		DCEDRM
CCn1cc(C#N)c(NC(=O)[C@@H](C)n2cncn2)c1C(=O)[O-]	ZINC001573844739	1163564871	/nfs/dbraw/zinc/56/48/71/1163564871.db2.gz	MUSZNZUGOSJCIH-MRVPVSSYSA-N	-1	0	302.294	0.869	20	30		DCEDRM
Cc1c(C#N)c(NC(=O)CC2(C(=O)[O-])CCOCC2)nn1C	ZINC001574112637	1163639878	/nfs/dbraw/zinc/63/98/78/1163639878.db2.gz	IZTPOYIGRDMKLV-UHFFFAOYSA-N	-1	0	306.322	0.810	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)cs1	ZINC001574240793	1163672430	/nfs/dbraw/zinc/67/24/30/1163672430.db2.gz	AOIKARVNNHIHIP-NEPJUHHUSA-N	-1	0	317.326	0.931	20	30		DCEDRM
N#Cc1ccnc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)c1	ZINC001574248172	1163673786	/nfs/dbraw/zinc/67/37/86/1163673786.db2.gz	FBFQNGNOGLMIMF-STQMWFEESA-N	-1	0	312.285	0.265	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)nc1	ZINC001574250195	1163674531	/nfs/dbraw/zinc/67/45/31/1163674531.db2.gz	UUKOKAXORIWHDU-JFGNBEQYSA-N	-1	0	307.331	0.294	20	30		DCEDRM
C[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)[C@@H](O)C(F)(F)F	ZINC001575444918	1164017843	/nfs/dbraw/zinc/01/78/43/1164017843.db2.gz	NOHBUUFDUPUPEZ-RNHFCUEFSA-N	-1	0	314.231	0.252	20	30		DCEDRM
C[C@]1(CCCO)CCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001575768260	1164142706	/nfs/dbraw/zinc/14/27/06/1164142706.db2.gz	MRCFQAJYORFRQU-CQSZACIVSA-N	-1	0	314.353	0.660	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)c1	ZINC001578995939	1165181864	/nfs/dbraw/zinc/18/18/64/1165181864.db2.gz	HMIDOHTUFDTKMA-UHFFFAOYSA-N	-1	0	323.320	0.780	20	30		DCEDRM
N#CCN[C@H]1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001581857945	1165889274	/nfs/dbraw/zinc/88/92/74/1165889274.db2.gz	KXSZNEZOHCNLBK-WDEREUQCSA-N	-1	0	314.353	0.349	20	30		DCEDRM
N#CCCSCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1	ZINC001581858011	1165889347	/nfs/dbraw/zinc/88/93/47/1165889347.db2.gz	NNYRFOMCSOGPEA-UHFFFAOYSA-N	-1	0	324.391	0.682	20	30		DCEDRM
N#Cc1cc(NCCn2cnc(-c3nnn[n-]3)n2)nc(C2CC2)n1	ZINC001581870521	1165895894	/nfs/dbraw/zinc/89/58/94/1165895894.db2.gz	GAGDXWYYMFVQLS-UHFFFAOYSA-N	-1	0	323.324	0.109	20	30		DCEDRM
N#Cc1ncc(Sc2nc(CO)cs2)nc1-c1nnn[n-]1	ZINC001581885225	1165903689	/nfs/dbraw/zinc/90/36/89/1165903689.db2.gz	SCNLFQKQPATWEC-UHFFFAOYSA-N	-1	0	318.347	0.628	20	30		DCEDRM
C#C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)[C@@H]1CCCO1	ZINC001588330234	1166525305	/nfs/dbraw/zinc/52/53/05/1166525305.db2.gz	XQAAPAXJKQVLIM-YPMHNXCESA-N	-1	0	313.317	0.483	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(F)c(OC)c(F)c1)C(=O)[O-]	ZINC001588423504	1166553772	/nfs/dbraw/zinc/55/37/72/1166553772.db2.gz	JHBMTOHTRJPGJM-SNVBAGLBSA-N	-1	0	319.285	0.728	20	30		DCEDRM
C=C[C@H](CO)NC(=O)Nc1ccc(OC)c(-c2nn[nH]n2)c1	ZINC001588727622	1166581881	/nfs/dbraw/zinc/58/18/81/1166581881.db2.gz	FDHJKNNMTUGQOE-MRVPVSSYSA-N	-1	0	304.310	0.544	20	30		DCEDRM
C=CCn1c(N2C[C@@H](C)[C@H](C(=O)[O-])C2)nnc1[C@@](C)(O)COC	ZINC001588905254	1166616590	/nfs/dbraw/zinc/61/65/90/1166616590.db2.gz	UXFNAXFGVPVCKE-HFAKWTLXSA-N	-1	0	324.381	0.475	20	30		DCEDRM
CC(C)(C)OC(=O)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589155485	1166638026	/nfs/dbraw/zinc/63/80/26/1166638026.db2.gz	DTOFRAHSYOFKJB-UHFFFAOYSA-N	-1	0	302.298	0.282	20	30		DCEDRM
CC(C)CC[C@H](CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589587360	1166667311	/nfs/dbraw/zinc/66/73/11/1166667311.db2.gz	WKHWHXHAQOCVKV-SECBINFHSA-N	-1	0	302.342	0.737	20	30		DCEDRM
C[C@@H](O)[C@H]1CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001589995086	1166741654	/nfs/dbraw/zinc/74/16/54/1166741654.db2.gz	JIYAOAGZBDFPMT-BDAKNGLRSA-N	-1	0	300.326	0.126	20	30		DCEDRM
C[C@H](O)CN(C)N=C1CCCc2c1c[nH]c(=O)c2-c1nnn[n-]1	ZINC001590000029	1166748795	/nfs/dbraw/zinc/74/87/95/1166748795.db2.gz	CXTOGEJASYAENP-QMMMGPOBSA-N	-1	0	317.353	0.320	20	30		DCEDRM
C[C@]1(C#N)CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1	ZINC001590055049	1166759649	/nfs/dbraw/zinc/75/96/49/1166759649.db2.gz	OXKPRJSMDDQTKZ-GFCCVEGCSA-N	-1	0	319.350	0.186	20	30		DCEDRM
C[C@]1(C#N)CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CCO1	ZINC001590056668	1166762888	/nfs/dbraw/zinc/76/28/88/1166762888.db2.gz	PTASKLIJLUQZJO-AWEZNQCLSA-N	-1	0	314.305	0.327	20	30		DCEDRM
C[C@@]1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCCOC1	ZINC001590070678	1166764269	/nfs/dbraw/zinc/76/42/69/1166764269.db2.gz	IFEPFGIKSCWZSA-GFCCVEGCSA-N	-1	0	302.298	0.217	20	30		DCEDRM
CC[C@]1(C)CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCO1	ZINC001590490237	1166923649	/nfs/dbraw/zinc/92/36/49/1166923649.db2.gz	KFBNJZACUCZUFF-CYBMUJFWSA-N	-1	0	300.326	0.534	20	30		DCEDRM
CCCCCCN(O)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001590594299	1166947245	/nfs/dbraw/zinc/94/72/45/1166947245.db2.gz	JTWXXDBSTISQBH-VIFPVBQESA-N	-1	0	308.346	0.817	20	30		DCEDRM
CN([C@@H]1CCC[C@H]1C#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001591037560	1167090667	/nfs/dbraw/zinc/09/06/67/1167090667.db2.gz	XVUKRYIKZRWJRT-DTWKUNHWSA-N	-1	0	322.350	0.772	20	30		DCEDRM
COc1cccc(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC001591636310	1167340500	/nfs/dbraw/zinc/34/05/00/1167340500.db2.gz	DJQLVOMPHVZKJL-UHFFFAOYSA-N	-1	0	324.304	0.651	20	30		DCEDRM
COc1cncc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)c1	ZINC001591659411	1167344429	/nfs/dbraw/zinc/34/44/29/1167344429.db2.gz	YYZZNLYOFVBOSE-UHFFFAOYSA-N	-1	0	309.293	0.544	20	30		DCEDRM
N#CCCN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1	ZINC001592678506	1167598981	/nfs/dbraw/zinc/59/89/81/1167598981.db2.gz	XZNLEEUUOXFMMD-UHFFFAOYSA-N	-1	0	314.353	0.768	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2ccc(C#N)o2)[C@H](C(=O)[O-])C1	ZINC001598794740	1168037714	/nfs/dbraw/zinc/03/77/14/1168037714.db2.gz	CADBPRFFYYDJNS-SCZZXKLOSA-N	-1	0	306.274	0.630	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001600075311	1168112350	/nfs/dbraw/zinc/11/23/50/1168112350.db2.gz	RUSIIABONILOAP-LBPRGKRZSA-N	-1	0	304.302	0.813	20	30		DCEDRM
Cc1cc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)ncc1C#N	ZINC001600255501	1168150964	/nfs/dbraw/zinc/15/09/64/1168150964.db2.gz	QGJDPRWVIIBZOR-NSHDSACASA-N	-1	0	316.317	0.523	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001600328110	1168165128	/nfs/dbraw/zinc/16/51/28/1168165128.db2.gz	OAPLUTYGDDMHCV-CMPLNLGQSA-N	-1	0	310.331	0.387	20	30		DCEDRM
Cc1ccc2nc(CN(CC#N)CCC(=O)[O-])cc(=O)n2c1	ZINC001600502527	1168192727	/nfs/dbraw/zinc/19/27/27/1168192727.db2.gz	AIFDNLGCHIAAES-UHFFFAOYSA-N	-1	0	300.318	0.803	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1C#N	ZINC001600550904	1168199526	/nfs/dbraw/zinc/19/95/26/1168199526.db2.gz	JJBOYALBLLCSAC-PWSUYJOCSA-N	-1	0	324.358	0.729	20	30		DCEDRM
Cc1nc(C(=O)OCCc2cn(CC(=O)[O-])nn2)ccc1C#N	ZINC001600686470	1168249791	/nfs/dbraw/zinc/24/97/91/1168249791.db2.gz	KLXVPQMPAIOHOV-UHFFFAOYSA-N	-1	0	315.289	0.337	20	30		DCEDRM
N#CC1(C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])CCOCC1	ZINC001601050482	1168577484	/nfs/dbraw/zinc/57/74/84/1168577484.db2.gz	QEJONQQIYXKFDO-ZDUSSCGKSA-N	-1	0	317.345	0.761	20	30		DCEDRM
N#CC1(CS(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)CCCC1	ZINC001601058813	1168579445	/nfs/dbraw/zinc/57/94/45/1168579445.db2.gz	ZTRAXAYKGXUWMZ-ZDUSSCGKSA-N	-1	0	316.379	0.481	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@H]1CC(=O)Nc2ccccc21	ZINC001601069111	1168580753	/nfs/dbraw/zinc/58/07/53/1168580753.db2.gz	FYDRGVJSJUPTJT-SNVBAGLBSA-N	-1	0	301.302	0.939	20	30		DCEDRM
N#CCCN(CCC#N)CC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001601066629	1168580766	/nfs/dbraw/zinc/58/07/66/1168580766.db2.gz	DPVKTOVCVDUIQJ-UHFFFAOYSA-N	-1	0	301.306	0.848	20	30		DCEDRM
N#CCN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1ccccn1	ZINC001601070836	1168580979	/nfs/dbraw/zinc/58/09/79/1168580979.db2.gz	ZZNLYHMFNHADTD-NSHDSACASA-N	-1	0	316.317	0.261	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001601070061	1168581123	/nfs/dbraw/zinc/58/11/23/1168581123.db2.gz	JSNRMVVIMNAUQF-BDAKNGLRSA-N	-1	0	310.228	0.160	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccc(CN2CCOCC2)o1	ZINC001601070493	1168581215	/nfs/dbraw/zinc/58/12/15/1168581215.db2.gz	NZLXAOUAEDKAFY-UHFFFAOYSA-N	-1	0	321.333	0.552	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC001601071216	1168581301	/nfs/dbraw/zinc/58/13/01/1168581301.db2.gz	WIZHENOALBCCPR-JGVFFNPUSA-N	-1	0	321.255	0.270	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001601082861	1168582725	/nfs/dbraw/zinc/58/27/25/1168582725.db2.gz	SIJUCWBLZXXAHW-CYBMUJFWSA-N	-1	0	306.293	0.995	20	30		DCEDRM
N#Cc1c(COC(=O)CN2CCOCC2=O)cccc1C(=O)[O-]	ZINC001601083793	1168583376	/nfs/dbraw/zinc/58/33/76/1168583376.db2.gz	SCDHLORAQRRKSI-UHFFFAOYSA-N	-1	0	318.285	0.158	20	30		DCEDRM
N#Cc1c(COC(=O)[C@H]2CCCC(=O)N2)cccc1C(=O)[O-]	ZINC001601083691	1168583719	/nfs/dbraw/zinc/58/37/19/1168583719.db2.gz	NYFXGKBXGKPNJF-GFCCVEGCSA-N	-1	0	302.286	0.968	20	30		DCEDRM
N#Cc1ccc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])[nH]1	ZINC001601091729	1168583820	/nfs/dbraw/zinc/58/38/20/1168583820.db2.gz	AUUYWSJYIUOTAI-OIDVMBJGSA-N	-1	0	316.317	0.009	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](CC2CCOCC2)C(=O)[O-])nc1	ZINC001601094121	1168583874	/nfs/dbraw/zinc/58/38/74/1168583874.db2.gz	NQGRSOVHGZAJSS-CYBMUJFWSA-N	-1	0	303.318	0.953	20	30		DCEDRM
N#Cc1ccc(CCN2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)cc1	ZINC001601098404	1168584390	/nfs/dbraw/zinc/58/43/90/1168584390.db2.gz	WECDSHDPCFDXDV-UPJWGTAASA-N	-1	0	313.313	0.742	20	30		DCEDRM
N#Cc1ccc(CNC(=O)Cn2nc(C(=O)[O-])ccc2=O)cc1	ZINC001601100130	1168584806	/nfs/dbraw/zinc/58/48/06/1168584806.db2.gz	IPSNIBGQCVROBW-UHFFFAOYSA-N	-1	0	312.285	0.130	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])c1	ZINC001601102981	1168585109	/nfs/dbraw/zinc/58/51/09/1168585109.db2.gz	VURNLJFCBTZHOJ-MWLCHTKSSA-N	-1	0	312.322	0.837	20	30		DCEDRM
N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1	ZINC001601108835	1168586009	/nfs/dbraw/zinc/58/60/09/1168586009.db2.gz	URLNZLCVIIZIFX-VLEAKVRGSA-N	-1	0	301.306	0.128	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NC2(C(=O)[O-])CCOCC2)cc1	ZINC001601108079	1168586079	/nfs/dbraw/zinc/58/60/79/1168586079.db2.gz	AKVHNKGMPZFQRX-UHFFFAOYSA-N	-1	0	303.318	0.720	20	30		DCEDRM
N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nc1	ZINC001601108049	1168586473	/nfs/dbraw/zinc/58/64/73/1168586473.db2.gz	YUWUIBPNJUZFTA-CYDGBPFRSA-N	-1	0	314.345	0.981	20	30		DCEDRM
N#Cc1cccc(C2(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)CC2)c1	ZINC001601120251	1168587361	/nfs/dbraw/zinc/58/73/61/1168587361.db2.gz	OIGOCMYMSGMREF-UHFFFAOYSA-N	-1	0	311.301	0.974	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CN2CCC[C@H](O)[C@@H]2C(=O)[O-])c1	ZINC001601123015	1168588337	/nfs/dbraw/zinc/58/83/37/1168588337.db2.gz	VTIHEQWEBVPOKE-DZGCQCFKSA-N	-1	0	317.345	0.084	20	30		DCEDRM
N#Cc1cccc2[nH]cc(C(=O)N[C@@H](Cn3cncn3)C(=O)[O-])c21	ZINC001601124635	1168588881	/nfs/dbraw/zinc/58/88/81/1168588881.db2.gz	PLFWNFGKUPPFQC-LBPRGKRZSA-N	-1	0	324.300	0.514	20	30		DCEDRM
N#Cc1ccccc1CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001601126371	1168589349	/nfs/dbraw/zinc/58/93/49/1168589349.db2.gz	WCDKGJFPXCTACR-GJZGRUSLSA-N	-1	0	313.357	0.923	20	30		DCEDRM
N#Cc1ccccc1/C=C\C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001601125999	1168589988	/nfs/dbraw/zinc/58/99/88/1168589988.db2.gz	MCPHSWNYOFRZPF-HLMASZERSA-N	-1	0	300.314	0.865	20	30		DCEDRM
N#Cc1ccnc(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])c1	ZINC001601127160	1168590100	/nfs/dbraw/zinc/59/01/00/1168590100.db2.gz	DOMQWEAUDFBSFQ-NSHDSACASA-N	-1	0	302.315	0.835	20	30		DCEDRM
N#Cc1cnc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c(F)c1	ZINC001601130423	1168591223	/nfs/dbraw/zinc/59/12/23/1168591223.db2.gz	OYUCFIZSRCBCRC-HNNXBMFYSA-N	-1	0	320.324	0.458	20	30		DCEDRM
N#Cc1cncc(Cn2cc(CN3CCC[C@H]3C(=O)[O-])nn2)c1	ZINC001601131422	1168591774	/nfs/dbraw/zinc/59/17/74/1168591774.db2.gz	YBODYDVSEIEJCQ-AWEZNQCLSA-N	-1	0	312.333	0.642	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001601133094	1168592787	/nfs/dbraw/zinc/59/27/87/1168592787.db2.gz	LNQKZXVESOIFKO-QWRGUYRKSA-N	-1	0	302.334	0.927	20	30		DCEDRM
N#Cc1ncn(CC[NH2+]Cc2cc(C(=O)[O-])c3n2CCCC3)n1	ZINC001601136585	1168594301	/nfs/dbraw/zinc/59/43/01/1168594301.db2.gz	VLOWMTYLDVNDEG-UHFFFAOYSA-N	-1	0	314.349	0.776	20	30		DCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)N[C@]1(C(=O)[O-])CCSC1	ZINC001601223747	1168666701	/nfs/dbraw/zinc/66/67/01/1168666701.db2.gz	KULAVYHRKKSXPQ-OAHLLOKOSA-N	-1	0	319.338	0.843	20	30		DCEDRM
O=C(C#CC1CC1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001601224654	1168666799	/nfs/dbraw/zinc/66/67/99/1168666799.db2.gz	YSVFGISQSDSFQX-XQHKEYJVSA-N	-1	0	304.346	0.132	20	30		DCEDRM
O=C([O-])[C@H](O)C1CCN(C(=O)NCC#Cc2ccccc2)CC1	ZINC001601678847	1168811933	/nfs/dbraw/zinc/81/19/33/1168811933.db2.gz	AMWFBAYJZHLFMA-OAHLLOKOSA-N	-1	0	316.357	0.905	20	30		DCEDRM
O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC001601760425	1168858793	/nfs/dbraw/zinc/85/87/93/1168858793.db2.gz	MIPIFPMHYJDQCE-NWDGAFQWSA-N	-1	0	317.297	0.061	20	30		DCEDRM
O=C([O-])[C@H]1CN(c2nnnn2CC#Cc2ccccc2)CCO1	ZINC001601851223	1168914919	/nfs/dbraw/zinc/91/49/19/1168914919.db2.gz	TZHWGZWOVIIRTP-CYBMUJFWSA-N	-1	0	313.317	0.015	20	30		DCEDRM
O=C([O-])c1cc(Cl)cc(S(=O)(=O)O[C@H]2CNOC2)c1	ZINC001602266466	1169044420	/nfs/dbraw/zinc/04/44/20/1169044420.db2.gz	ZVKXZRKVFZBQDD-QMMMGPOBSA-N	-1	0	307.711	0.647	20	30		DCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC001602670371	1169155488	/nfs/dbraw/zinc/15/54/88/1169155488.db2.gz	SZANKGWTEKAHBR-MRVPVSSYSA-N	-1	0	318.285	0.248	20	30		DCEDRM
C#C[C@H](C)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC001602670388	1169155599	/nfs/dbraw/zinc/15/55/99/1169155599.db2.gz	UNPPFPRSVLHZNE-JOYOIKCWSA-N	-1	0	302.286	0.003	20	30		DCEDRM
C#C[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)n1)C1CCOCC1	ZINC001602672817	1169156048	/nfs/dbraw/zinc/15/60/48/1169156048.db2.gz	IHAJUEOBLOMBDB-SNVBAGLBSA-N	-1	0	306.322	0.668	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001602682783	1169158118	/nfs/dbraw/zinc/15/81/18/1169158118.db2.gz	GDDQZNIADXXRGP-SECBINFHSA-N	-1	0	301.295	0.186	20	30		DCEDRM
C#CC[C@@H](CCOC)NS(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001602682690	1169158291	/nfs/dbraw/zinc/15/82/91/1169158291.db2.gz	CNFXUSDMKMTKIA-NSHDSACASA-N	-1	0	303.380	0.589	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc2ncccc2c1)C(=O)[O-]	ZINC001602698556	1169164440	/nfs/dbraw/zinc/16/44/40/1169164440.db2.gz	LDHBNUMZEXYYEA-ZDUSSCGKSA-N	-1	0	304.327	0.990	20	30		DCEDRM
C#CCCCS(=O)(=O)NCc1ccc(-c2nn[nH]n2)cc1	ZINC001602711169	1169166246	/nfs/dbraw/zinc/16/62/46/1169166246.db2.gz	LFILWQNNHKZFLV-UHFFFAOYSA-N	-1	0	305.363	0.700	20	30		DCEDRM
C#CCN1CCC[C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)C1	ZINC001602719973	1169169229	/nfs/dbraw/zinc/16/92/29/1169169229.db2.gz	FRSVDXZPWNAQPO-ZDUSSCGKSA-N	-1	0	322.386	0.761	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)c1ccnc(C(=O)[O-])n1	ZINC001602725444	1169172767	/nfs/dbraw/zinc/17/27/67/1169172767.db2.gz	BQZOVLJRBLWYDS-QWRGUYRKSA-N	-1	0	320.349	0.154	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001602728519	1169175399	/nfs/dbraw/zinc/17/53/99/1169175399.db2.gz	UWWHXSCMWJBRGH-UHFFFAOYSA-N	-1	0	315.322	0.794	20	30		DCEDRM
C#Cc1cncc(C(=O)N2C[C@H](C(=O)OC)CC[C@@H]2C(=O)[O-])c1	ZINC001602743407	1169175676	/nfs/dbraw/zinc/17/56/76/1169175676.db2.gz	OMJBURJEPMMPKU-DGCLKSJQSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)nc1	ZINC001602740199	1169176608	/nfs/dbraw/zinc/17/66/08/1169176608.db2.gz	ZPDDRMUFCOBHIN-GHMZBOCLSA-N	-1	0	302.286	0.009	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001602744529	1169177789	/nfs/dbraw/zinc/17/77/89/1169177789.db2.gz	DAHHQLLWFLOGGL-VXGBXAGGSA-N	-1	0	308.378	0.979	20	30		DCEDRM
C#Cc1cncc(C(=O)NCCNc2ncc(C(=O)[O-])cn2)c1	ZINC001602744713	1169178413	/nfs/dbraw/zinc/17/84/13/1169178413.db2.gz	LLABUANHXUNWAL-UHFFFAOYSA-N	-1	0	311.301	0.393	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@]1(COC)C(=O)[O-]	ZINC001602755648	1169178906	/nfs/dbraw/zinc/17/89/06/1169178906.db2.gz	ZDKWOJJXJLUDIG-SWLSCSKDSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)OCc1cnc(C(=O)[O-])cn1	ZINC001602755050	1169179111	/nfs/dbraw/zinc/17/91/11/1169179111.db2.gz	FPRLBBGUKHJIIZ-NSHDSACASA-N	-1	0	307.306	0.689	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1cn(CCOC)c(C)cc1=O)C(=O)[O-]	ZINC001602754313	1169180050	/nfs/dbraw/zinc/18/00/50/1169180050.db2.gz	DLNIXTIUTKYXAF-CYBMUJFWSA-N	-1	0	322.361	0.952	20	30		DCEDRM
C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001602761866	1169181405	/nfs/dbraw/zinc/18/14/05/1169181405.db2.gz	HTMDOTMEIGIKOJ-GFCCVEGCSA-N	-1	0	311.382	0.076	20	30		DCEDRM
C=C(CC)CNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001602774489	1169182905	/nfs/dbraw/zinc/18/29/05/1169182905.db2.gz	NHCKFUCWIFOEGC-UHFFFAOYSA-N	-1	0	308.338	0.724	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCS(=O)(=O)C1CCOCC1	ZINC001602783822	1169183533	/nfs/dbraw/zinc/18/35/33/1169183533.db2.gz	KCGZSFGAZMFSAC-UHFFFAOYSA-N	-1	0	319.379	0.117	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)C1	ZINC001602791470	1169184878	/nfs/dbraw/zinc/18/48/78/1169184878.db2.gz	QQYFTFSJSIDYLS-VXGBXAGGSA-N	-1	0	306.362	0.733	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CCO[C@@H](CC(=O)[O-])C2)n1CC(=C)C	ZINC001602820442	1169188611	/nfs/dbraw/zinc/18/86/11/1169188611.db2.gz	HMUXCRUUTFIETJ-RYUDHWBXSA-N	-1	0	322.365	0.754	20	30		DCEDRM
C=CC[C@H](C(=O)[O-])N1CCc2sc(S(N)(=O)=O)cc2C1	ZINC001602835986	1169191353	/nfs/dbraw/zinc/19/13/53/1169191353.db2.gz	DHUMFGHRLBCHNY-SECBINFHSA-N	-1	0	316.404	0.783	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC001602842715	1169192928	/nfs/dbraw/zinc/19/29/28/1169192928.db2.gz	MWNBQCXOFMECFO-JTQLQIEISA-N	-1	0	322.317	0.385	20	30		DCEDRM
C=CCCC(=O)NC1(CO)CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001602855802	1169194218	/nfs/dbraw/zinc/19/42/18/1169194218.db2.gz	CHLDHHCQPFYIMG-NWDGAFQWSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=CCNC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-]	ZINC001602863755	1169194470	/nfs/dbraw/zinc/19/44/70/1169194470.db2.gz	ODQUXQZBNOXMQO-VIFPVBQESA-N	-1	0	302.338	0.525	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1ccnc2c1nnn2C)C(=O)[O-]	ZINC001602870098	1169195926	/nfs/dbraw/zinc/19/59/26/1169195926.db2.gz	FFNVSCLLPAWOTD-JTQLQIEISA-N	-1	0	303.322	0.903	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C(=O)c1cnn(C(C)(C)C)c1)C(=O)[O-]	ZINC001602906750	1169201428	/nfs/dbraw/zinc/20/14/28/1169201428.db2.gz	MLKRQZZGZDSHLN-LLVKDONJSA-N	-1	0	323.349	0.593	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)/C=C/c1cnc(OC)nc1)C(=O)[O-]	ZINC001602910358	1169202651	/nfs/dbraw/zinc/20/26/51/1169202651.db2.gz	XAHGBXSYHDAQHR-SGUJLRQBSA-N	-1	0	307.306	0.270	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C)n1)C(=O)[O-]	ZINC001602912686	1169202656	/nfs/dbraw/zinc/20/26/56/1169202656.db2.gz	BALLTZLKDUEAPB-NSHDSACASA-N	-1	0	309.278	0.684	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnc(C2CC2)nc1N)C(=O)[O-]	ZINC001602913327	1169203937	/nfs/dbraw/zinc/20/39/37/1169203937.db2.gz	NQALEYTZOKOTBE-SNVBAGLBSA-N	-1	0	306.322	0.322	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1nnc(-c2ccco2)o1)C(=O)[O-]	ZINC001602915001	1169204093	/nfs/dbraw/zinc/20/40/93/1169204093.db2.gz	NOXXUZCEOPJHHQ-MRVPVSSYSA-N	-1	0	307.262	0.715	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnc(C2CC2)nc1N)C(=O)[O-]	ZINC001602913326	1169204862	/nfs/dbraw/zinc/20/48/62/1169204862.db2.gz	NQALEYTZOKOTBE-JTQLQIEISA-N	-1	0	306.322	0.322	20	30		DCEDRM
C=CCn1c(COCCOC)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001602935184	1169212827	/nfs/dbraw/zinc/21/28/27/1169212827.db2.gz	ALVOLVWRMAZULP-LBPRGKRZSA-N	-1	0	324.381	0.928	20	30		DCEDRM
C=CCn1c(CCOC)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001602935476	1169212947	/nfs/dbraw/zinc/21/29/47/1169212947.db2.gz	MPQNRHRHPIZXOT-NSHDSACASA-N	-1	0	310.354	0.333	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001602942259	1169214038	/nfs/dbraw/zinc/21/40/38/1169214038.db2.gz	XVVJTVIOLLBWMV-BDAKNGLRSA-N	-1	0	310.331	0.845	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001602945006	1169215879	/nfs/dbraw/zinc/21/58/79/1169215879.db2.gz	BGJZWTGDSMNXTG-JTQLQIEISA-N	-1	0	322.292	0.353	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001602945244	1169216219	/nfs/dbraw/zinc/21/62/19/1169216219.db2.gz	DFOAERAXDOEKSB-GFCCVEGCSA-N	-1	0	318.329	0.522	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC001602945319	1169217110	/nfs/dbraw/zinc/21/71/10/1169217110.db2.gz	GQXDXFKPBGKTTG-LLVKDONJSA-N	-1	0	311.359	0.746	20	30		DCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC001603129183	1169250131	/nfs/dbraw/zinc/25/01/31/1169250131.db2.gz	BJHXCCFQFOVKIW-SNVBAGLBSA-N	-1	0	303.318	0.918	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001603295941	1169288801	/nfs/dbraw/zinc/28/88/01/1169288801.db2.gz	XORDWKNCFQVFKH-NWDGAFQWSA-N	-1	0	320.389	0.912	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1c[nH]nc1-c1nnn[n-]1	ZINC001603709986	1169367924	/nfs/dbraw/zinc/36/79/24/1169367924.db2.gz	KZSCKQJOOFSCIX-MRVPVSSYSA-N	-1	0	324.304	0.867	20	30		DCEDRM
CCC(O)(CC)CCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001604066065	1169483957	/nfs/dbraw/zinc/48/39/57/1169483957.db2.gz	IRSDUHVNEVVALG-UHFFFAOYSA-N	-1	0	302.342	0.881	20	30		DCEDRM
CCC[C@H](OCC)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001604150586	1169508062	/nfs/dbraw/zinc/50/80/62/1169508062.db2.gz	BATPUUFTOTUCLH-QMMMGPOBSA-N	-1	0	304.314	0.605	20	30		DCEDRM
C[C@H](O)c1cn(C2CN(c3ccc(C(=O)[O-])nc3C#N)C2)nn1	ZINC001604389237	1169579639	/nfs/dbraw/zinc/57/96/39/1169579639.db2.gz	PLXSUFQLPWTRGP-QMMMGPOBSA-N	-1	0	314.305	0.358	20	30		DCEDRM
COC(=O)CCCCCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001604934245	1169754670	/nfs/dbraw/zinc/75/46/70/1169754670.db2.gz	JGRTYXHPGDCFIH-UHFFFAOYSA-N	-1	0	316.325	0.674	20	30		DCEDRM
CC[C@H](C)[N@H+](CC(=O)[O-])Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001604961517	1169765845	/nfs/dbraw/zinc/76/58/45/1169765845.db2.gz	SZEDSWRDFJMXEL-VIFPVBQESA-N	-1	0	303.322	0.992	20	30		DCEDRM
CO[C@@](C)(CNc1cnc(C#N)c(-c2nnn[n-]2)n1)C1CC1	ZINC001604997841	1169773390	/nfs/dbraw/zinc/77/33/90/1169773390.db2.gz	JSDWNFXKMOLHKA-ZDUSSCGKSA-N	-1	0	300.326	0.755	20	30		DCEDRM
CC[C@](COC)(NCC(=O)NC1(C#N)CCCCC1)C(=O)[O-]	ZINC001605052662	1169797128	/nfs/dbraw/zinc/79/71/28/1169797128.db2.gz	KLJIHUKAARVNAE-OAHLLOKOSA-N	-1	0	311.382	0.798	20	30		DCEDRM
CCN(CCC#N)C(=O)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O	ZINC001605438352	1169919621	/nfs/dbraw/zinc/91/96/21/1169919621.db2.gz	YPOJYVCSFINBDM-UHFFFAOYSA-N	-1	0	322.277	0.217	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC001605438838	1169922205	/nfs/dbraw/zinc/92/22/05/1169922205.db2.gz	REIFGENQZBPKIU-LLVKDONJSA-N	-1	0	303.384	0.796	20	30		DCEDRM
CCN(CCNC(=O)CSCC#N)c1ncc(C(=O)[O-])cn1	ZINC001605449657	1169926418	/nfs/dbraw/zinc/92/64/18/1169926418.db2.gz	UYVQZWBVYMGTSN-UHFFFAOYSA-N	-1	0	323.378	0.374	20	30		DCEDRM
CCOc1cc(C(=O)N[C@H](C#N)CO)ccc1OCC(=O)[O-]	ZINC001605658101	1169982356	/nfs/dbraw/zinc/98/23/56/1169982356.db2.gz	MDVOEXFBOBJHPP-SNVBAGLBSA-N	-1	0	308.290	0.163	20	30		DCEDRM
Cc1nc(C#N)c(C#N)n1CC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001606023867	1170055229	/nfs/dbraw/zinc/05/52/29/1170055229.db2.gz	LHBNVTSEZPHCEU-UHFFFAOYSA-N	-1	0	318.300	0.998	20	30		DCEDRM
CN(CCCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001606121709	1170083083	/nfs/dbraw/zinc/08/30/83/1170083083.db2.gz	NWPPDYKCQRJPGY-RYUDHWBXSA-N	-1	0	317.349	0.354	20	30		DCEDRM
CNC(=O)Cn1cc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cn1	ZINC001606277067	1170145834	/nfs/dbraw/zinc/14/58/34/1170145834.db2.gz	AOBOKHDEOJOZQC-CQSZACIVSA-N	-1	0	313.317	0.739	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(C#N)[nH]c1C	ZINC001606383366	1170175787	/nfs/dbraw/zinc/17/57/87/1170175787.db2.gz	DXNKRDWKSPZCLR-CABZTGNLSA-N	-1	0	319.317	0.673	20	30		DCEDRM
COC(=O)C1CCC(NC(=O)CC2(C#N)CC2)(C(=O)[O-])CC1	ZINC001606395911	1170184270	/nfs/dbraw/zinc/18/42/70/1170184270.db2.gz	DUAGFLTYGUBPKK-UHFFFAOYSA-N	-1	0	308.334	0.983	20	30		DCEDRM
COC(=O)N[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001606496179	1170220920	/nfs/dbraw/zinc/22/09/20/1170220920.db2.gz	PGHVXPRGTSZBOW-GZMMTYOYSA-N	-1	0	306.274	0.972	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)[C@@H](C(=O)[O-])C1	ZINC001606751769	1170278170	/nfs/dbraw/zinc/27/81/70/1170278170.db2.gz	ZSHSGQJNHGDHFH-CHWSQXEVSA-N	-1	0	304.302	0.968	20	30		DCEDRM
COc1ncc(/C=C/C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001607359832	1170435651	/nfs/dbraw/zinc/43/56/51/1170435651.db2.gz	PTEOGQQUFSGMKC-NSCUHMNNSA-N	-1	0	316.317	0.715	20	30		DCEDRM
C[S@](=O)CCN1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001607384113	1170442880	/nfs/dbraw/zinc/44/28/80/1170442880.db2.gz	AJFJVGJTXUDWEN-QFIPXVFZSA-N	-1	0	322.390	0.152	20	30		DCEDRM
CSc1nc(C2CC2)cc(C(=O)NC[C@H](O)C(=O)[O-])c1C#N	ZINC001607415020	1170447837	/nfs/dbraw/zinc/44/78/37/1170447837.db2.gz	WIADVYZVNBGQCQ-NSHDSACASA-N	-1	0	321.358	0.728	20	30		DCEDRM
Cc1c(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)cnn1CCC#N	ZINC001607507505	1170469601	/nfs/dbraw/zinc/46/96/01/1170469601.db2.gz	RSDBWRWTHBDRCZ-NSHDSACASA-N	-1	0	322.390	0.995	20	30		DCEDRM
Cc1cc(C=NN2C(=O)CNC2=O)cc(C)c1OCC(=O)[O-]	ZINC001607635421	1170486777	/nfs/dbraw/zinc/48/67/77/1170486777.db2.gz	YSMWQYKZZYUEAC-UHFFFAOYSA-N	-1	0	305.290	0.653	20	30		DCEDRM
Cc1ccc(C#N)c(NCCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1	ZINC001607724191	1170500141	/nfs/dbraw/zinc/50/01/41/1170500141.db2.gz	GGMLLXRXKCOJKJ-VXGBXAGGSA-N	-1	0	302.334	0.901	20	30		DCEDRM
Cc1ccc(C#N)c(NCCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1	ZINC001607724188	1170500207	/nfs/dbraw/zinc/50/02/07/1170500207.db2.gz	GGMLLXRXKCOJKJ-NEPJUHHUSA-N	-1	0	302.334	0.901	20	30		DCEDRM
Cc1ccc(S(=O)(=O)CCC(=O)N(CC#N)CC(=O)[O-])cc1	ZINC001607815068	1170510017	/nfs/dbraw/zinc/51/00/17/1170510017.db2.gz	FJTOAQOJNVVXSD-UHFFFAOYSA-N	-1	0	324.358	0.596	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](CF)C(=O)[O-]	ZINC001608006289	1170546382	/nfs/dbraw/zinc/54/63/82/1170546382.db2.gz	UEBJBQKZRZVVPO-GFCCVEGCSA-N	-1	0	310.329	0.885	20	30		DCEDRM
Cn1ccc(CCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001608125240	1170582665	/nfs/dbraw/zinc/58/26/65/1170582665.db2.gz	WTKIMJQIDFBFRW-UHFFFAOYSA-N	-1	0	305.338	0.363	20	30		DCEDRM
N#CC1(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CC2(CC2)C1	ZINC001608172519	1170609257	/nfs/dbraw/zinc/60/92/57/1170609257.db2.gz	XQDMNJBFFIUBOY-OAHLLOKOSA-N	-1	0	303.318	0.902	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCc3cncn3C2)CC1	ZINC001608171765	1170609315	/nfs/dbraw/zinc/60/93/15/1170609315.db2.gz	RGHANXMVLQNTSF-LLVKDONJSA-N	-1	0	302.334	0.662	20	30		DCEDRM
N#C[C@]1(c2ccccn2)CCCN(CCC(=O)NCC(=O)[O-])C1	ZINC001608177362	1170610946	/nfs/dbraw/zinc/61/09/46/1170610946.db2.gz	UYYPIFWXFSCEQX-MRXNPFEDSA-N	-1	0	316.361	0.530	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)C(=O)c1ccc(C(=O)[O-])[nH]1	ZINC001608183235	1170611212	/nfs/dbraw/zinc/61/12/12/1170611212.db2.gz	WMLLWBVDKXOFOY-UHFFFAOYSA-N	-1	0	320.349	0.401	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@H](c2ccccc2)OC1=O	ZINC001608183155	1170611395	/nfs/dbraw/zinc/61/13/95/1170611395.db2.gz	INQFVKLBENTSOU-VXGBXAGGSA-N	-1	0	302.286	0.728	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC001608189276	1170612518	/nfs/dbraw/zinc/61/25/18/1170612518.db2.gz	KRMVYYWUJLQUHY-AWEZNQCLSA-N	-1	0	324.358	0.665	20	30		DCEDRM
N#CCc1cccc(OS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1	ZINC001608189122	1170612811	/nfs/dbraw/zinc/61/28/11/1170612811.db2.gz	CSMBDYRKCCXUTI-UHFFFAOYSA-N	-1	0	321.314	0.801	20	30		DCEDRM
N#Cc1ccc(CCC(=O)NC2(C(=O)[O-])CC(CO)C2)cc1	ZINC001608204372	1170614536	/nfs/dbraw/zinc/61/45/36/1170614536.db2.gz	DHVARQRWLVEDCZ-UHFFFAOYSA-N	-1	0	302.330	0.833	20	30		DCEDRM
N#Cc1ccc(NC2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nn1	ZINC001608208785	1170616314	/nfs/dbraw/zinc/61/63/14/1170616314.db2.gz	PFQVHQKDDFNVNB-NEPJUHHUSA-N	-1	0	315.333	0.472	20	30		DCEDRM
N#Cc1ccc2ncc(CN3CCOC[C@H]3CC(=O)[O-])n2c1	ZINC001608214740	1170617336	/nfs/dbraw/zinc/61/73/36/1170617336.db2.gz	SWGNHVJNSWKGFT-GFCCVEGCSA-N	-1	0	300.318	0.881	20	30		DCEDRM
N#Cc1cnc(C(=O)NCCn2cc(C(=O)[O-])nn2)c(Cl)c1	ZINC001608222694	1170618023	/nfs/dbraw/zinc/61/80/23/1170618023.db2.gz	IHIISDUCDZZVKH-UHFFFAOYSA-N	-1	0	320.696	0.326	20	30		DCEDRM
N#Cc1nccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1	ZINC001608225661	1170619406	/nfs/dbraw/zinc/61/94/06/1170619406.db2.gz	XEUNVLFEBOUHAE-MNOVXSKESA-N	-1	0	315.333	0.154	20	30		DCEDRM
NC(=O)CNN=Cc1ccc(C(=O)[O-])cc1Br	ZINC001608235593	1170624031	/nfs/dbraw/zinc/62/40/31/1170624031.db2.gz	SLSFXCLYTRIOHK-UHFFFAOYSA-N	-1	0	300.112	0.556	20	30		DCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1	ZINC001609018751	1170784909	/nfs/dbraw/zinc/78/49/09/1170784909.db2.gz	FQIMZIXQVHAWHM-SNVBAGLBSA-N	-1	0	305.363	0.650	20	30		DCEDRM
C#C[C@@H](NC(=O)c1sccc1-c1nn[nH]n1)[C@H]1CCCO1	ZINC001609019190	1170785686	/nfs/dbraw/zinc/78/56/86/1170785686.db2.gz	PASKPDAVDAARDA-NXEZZACHSA-N	-1	0	303.347	0.839	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC001609058415	1170794682	/nfs/dbraw/zinc/79/46/82/1170794682.db2.gz	YZBCTGPTCFAOJA-NEPJUHHUSA-N	-1	0	310.331	0.239	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001609058290	1170795072	/nfs/dbraw/zinc/79/50/72/1170795072.db2.gz	VFMOWZMRQSOIPW-NSHDSACASA-N	-1	0	304.258	0.767	20	30		DCEDRM
C#CC[C@H](NC(=O)CNC(=O)c1cc(Cl)ccn1)C(=O)[O-]	ZINC001609079035	1170802509	/nfs/dbraw/zinc/80/25/09/1170802509.db2.gz	UMOUZQKPRYZEIZ-VIFPVBQESA-N	-1	0	309.709	0.058	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc2c(c1)N(C)CCC2)C(=O)[O-]	ZINC001609089178	1170804292	/nfs/dbraw/zinc/80/42/92/1170804292.db2.gz	HNPLYMKAIRSNNQ-ZDUSSCGKSA-N	-1	0	322.386	0.824	20	30		DCEDRM
C#CCN(CC)C(=O)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC001609153018	1170830226	/nfs/dbraw/zinc/83/02/26/1170830226.db2.gz	SSSLDJHUUSYWAT-UHFFFAOYSA-N	-1	0	318.329	0.951	20	30		DCEDRM
C#CCOc1cccc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1	ZINC001609174946	1170844913	/nfs/dbraw/zinc/84/49/13/1170844913.db2.gz	SGUSSSBGTHMCQZ-DGCLKSJQSA-N	-1	0	318.329	0.998	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)COc1cnc(-c2nnn[n-]2)nc1	ZINC001609221556	1170877862	/nfs/dbraw/zinc/87/78/62/1170877862.db2.gz	IKQZAHXGTXMDFT-SECBINFHSA-N	-1	0	316.325	0.044	20	30		DCEDRM
C=C[C@@H](N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O)C(=O)[O-]	ZINC001609272052	1170904696	/nfs/dbraw/zinc/90/46/96/1170904696.db2.gz	HJEVPQVVMFYOTO-NXEZZACHSA-N	-1	0	324.358	0.869	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001609324732	1170936965	/nfs/dbraw/zinc/93/69/65/1170936965.db2.gz	MSQXQQLNMWCCRG-SECBINFHSA-N	-1	0	324.308	0.906	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C(C)(C)CC(=O)[O-]	ZINC001609398755	1170964042	/nfs/dbraw/zinc/96/40/42/1170964042.db2.gz	GJOMZKUWIBDIDU-MRVPVSSYSA-N	-1	0	300.311	0.431	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C[C@@H]1CCOC[C@H]1OC)C(=O)[O-]	ZINC001609432276	1170974250	/nfs/dbraw/zinc/97/42/50/1170974250.db2.gz	LJFANDMHGPKMQK-SDDRHHMPSA-N	-1	0	301.339	0.200	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1cccc2c1OCCO2	ZINC001609496884	1170999107	/nfs/dbraw/zinc/99/91/07/1170999107.db2.gz	LZNKJAAIOVNUFP-UHFFFAOYSA-N	-1	0	324.304	0.337	20	30		DCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNCCCN1CCOCC1	ZINC001609646653	1171059358	/nfs/dbraw/zinc/05/93/58/1171059358.db2.gz	YTAISZXFVFUFKH-CYBMUJFWSA-N	-1	0	308.382	0.780	20	30		DCEDRM
CC(C)(C)Nc1ccc(C(N)=NOCC(=O)NCC(=O)[O-])nc1	ZINC001609754819	1171078823	/nfs/dbraw/zinc/07/88/23/1171078823.db2.gz	ALWFPFSDBLECHV-UHFFFAOYSA-N	-1	0	323.353	0.130	20	30		DCEDRM
CCN(C[C@H](C)C#N)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O	ZINC001609993180	1171132340	/nfs/dbraw/zinc/13/23/40/1171132340.db2.gz	IWCWSNMVRBUBEP-QMTHXVAHSA-N	-1	0	310.354	0.601	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCC([C@H](O)C(=O)[O-])CC1	ZINC001609992549	1171132643	/nfs/dbraw/zinc/13/26/43/1171132643.db2.gz	BWZFEQZSWFGPHT-FZMZJTMJSA-N	-1	0	311.382	0.152	20	30		DCEDRM
CCc1ccc(C#CC(=O)N[C@H](CC(=O)OC)C(=O)[O-])cc1	ZINC001610060556	1171148127	/nfs/dbraw/zinc/14/81/27/1171148127.db2.gz	VQEVJACHLBVLHU-CYBMUJFWSA-N	-1	0	303.314	0.733	20	30		DCEDRM
COc1cc(NCC(=O)NCCC#N)c(C(=O)[O-])cc1OC	ZINC001610301743	1171218540	/nfs/dbraw/zinc/21/85/40/1171218540.db2.gz	JXGVAVYUHWRUAK-UHFFFAOYSA-N	-1	0	307.306	0.844	20	30		DCEDRM
COc1cc(NC(=O)Cn2cnc(C#N)n2)ccc1C(=O)[O-]	ZINC001610301107	1171218716	/nfs/dbraw/zinc/21/87/16/1171218716.db2.gz	OQCUVHRIZCAZDX-UHFFFAOYSA-N	-1	0	301.262	0.495	20	30		DCEDRM
C[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H](C(=O)[O-])O1	ZINC001610396037	1171229395	/nfs/dbraw/zinc/22/93/95/1171229395.db2.gz	QZBGZUJSAFSWTN-STQMWFEESA-N	-1	0	323.393	0.845	20	30		DCEDRM
Cc1c(NC(=O)NCCn2cnc(C#N)n2)cccc1C(=O)[O-]	ZINC001610424232	1171234606	/nfs/dbraw/zinc/23/46/06/1171234606.db2.gz	SSWNCIFLARRXGY-UHFFFAOYSA-N	-1	0	314.305	0.978	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC001610594638	1171261232	/nfs/dbraw/zinc/26/12/32/1171261232.db2.gz	OFOBNYDNYFDLEL-GFCCVEGCSA-N	-1	0	305.334	0.993	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccnc2F)CC1	ZINC001610619045	1171270568	/nfs/dbraw/zinc/27/05/68/1171270568.db2.gz	OPJHODFKDJXCPH-UHFFFAOYSA-N	-1	0	320.280	0.376	20	30		DCEDRM
N#Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c([N+](=O)[O-])c1	ZINC001610628142	1171272325	/nfs/dbraw/zinc/27/23/25/1171272325.db2.gz	PMJDRSQEZASSFT-LBPRGKRZSA-N	-1	0	318.289	0.242	20	30		DCEDRM
N#Cc1ccc(F)cc1COC(=O)Cn1cc(C(=O)[O-])nn1	ZINC001610629321	1171272502	/nfs/dbraw/zinc/27/25/02/1171272502.db2.gz	ZFJKULCADBKADL-UHFFFAOYSA-N	-1	0	304.237	0.730	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])s1	ZINC001610629880	1171272592	/nfs/dbraw/zinc/27/25/92/1171272592.db2.gz	BMFVDKURYLQXTK-WCBMZHEXSA-N	-1	0	316.360	0.218	20	30		DCEDRM
N#Cc1cnn2cc(CN3CCC([C@H](O)C(=O)[O-])CC3)cnc12	ZINC001610634303	1171273869	/nfs/dbraw/zinc/27/38/69/1171273869.db2.gz	VVURVTKMJQYZTA-ZDUSSCGKSA-N	-1	0	315.333	0.258	20	30		DCEDRM
CC(C)(C)[C@H](C#N)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001623503021	1171439639	/nfs/dbraw/zinc/43/96/39/1171439639.db2.gz	APKLFWMZUHISKP-JTQLQIEISA-N	-1	0	303.322	0.265	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001638181285	1171791527	/nfs/dbraw/zinc/79/15/27/1171791527.db2.gz	BSKCSYNIKXDHEV-OLZOCXBDSA-N	-1	0	320.397	0.452	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C/N=C1/NS(=O)(=O)c2ccccc21	ZINC001644319741	1172005176	/nfs/dbraw/zinc/00/51/76/1172005176.db2.gz	LAKGRSDZICRIGK-UHFFFAOYSA-N	-1	0	309.347	0.349	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCO2	ZINC001647198845	1172736200	/nfs/dbraw/zinc/73/62/00/1172736200.db2.gz	FIHQCINVYZACMG-UHFFFAOYSA-N	-1	0	318.314	0.266	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N(C)Cc2cn(C)nn2)cc1C#N	ZINC001647302730	1172795572	/nfs/dbraw/zinc/79/55/72/1172795572.db2.gz	UBYQQBWKGNNVAU-UHFFFAOYSA-N	-1	0	318.362	0.781	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1	ZINC001649710836	1173177900	/nfs/dbraw/zinc/17/79/00/1173177900.db2.gz	HUQFMQNZTMVMDW-UHFFFAOYSA-N	-1	0	319.346	0.235	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@H](CCO)C(F)(F)F	ZINC001649985998	1173361624	/nfs/dbraw/zinc/36/16/24/1173361624.db2.gz	FPDDKIVPWDWNMW-DTWKUNHWSA-N	-1	0	317.333	0.616	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@@H](C[C@H]3CCOC3)C2)c(C#N)c1=O	ZINC001650226923	1173523528	/nfs/dbraw/zinc/52/35/28/1173523528.db2.gz	HLROEBWPQCPQPF-NWDGAFQWSA-N	-1	0	318.377	0.588	20	30		DCEDRM
Cc1cccc(-c2noc(Cn3c(=O)[n-]cc(C#N)c3=O)n2)c1	ZINC001652908540	1173778192	/nfs/dbraw/zinc/77/81/92/1173778192.db2.gz	FAAOJBKXRCQXCI-UHFFFAOYSA-N	-1	0	309.285	0.815	20	30		DCEDRM
N#CC1(NC(=O)Cn2[n-]c(=O)c(Cl)c(Cl)c2=O)CCC1	ZINC001652995881	1173780082	/nfs/dbraw/zinc/78/00/82/1173780082.db2.gz	YLAYJAILCHIBFZ-UHFFFAOYSA-N	-1	0	317.132	0.818	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCCc2ccsc2)c(=O)[n-]c1=O	ZINC001653906016	1173796817	/nfs/dbraw/zinc/79/68/17/1173796817.db2.gz	IMXITFZOYHERCY-UHFFFAOYSA-N	-1	0	318.358	0.631	20	30		DCEDRM
COC(=O)CCCCCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001654973112	1173813251	/nfs/dbraw/zinc/81/32/51/1173813251.db2.gz	PDOXCXMWRSMBAZ-UHFFFAOYSA-N	-1	0	308.338	0.481	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N[C@@H](C)C[NH2+]Cc1n[nH]c(=O)[n-]1	ZINC001669724853	1174945894	/nfs/dbraw/zinc/94/58/94/1174945894.db2.gz	XDBNOPRPFGIULY-NSHDSACASA-N	-1	0	313.361	0.329	20	30		DCEDRM
COCCN(CC#N)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001677321471	1175557097	/nfs/dbraw/zinc/55/70/97/1175557097.db2.gz	IMULTLCEPUZOKG-UHFFFAOYSA-N	-1	0	319.321	0.130	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001701183704	1178949552	/nfs/dbraw/zinc/94/95/52/1178949552.db2.gz	ODOUIPOXGKNMHA-RFAUZJTJSA-N	-1	0	324.381	0.328	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001701681507	1179118451	/nfs/dbraw/zinc/11/84/51/1179118451.db2.gz	GVGMKASJGOVVCN-ONGXEEELSA-N	-1	0	324.381	0.233	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001703431329	1179538101	/nfs/dbraw/zinc/53/81/01/1179538101.db2.gz	DVXSQMVCFCLIJL-LLVKDONJSA-N	-1	0	304.350	0.414	20	30		DCEDRM
C=CCCOCC(=O)N(C)CCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001704881780	1180159049	/nfs/dbraw/zinc/15/90/49/1180159049.db2.gz	LYAKZZSAMUJNFF-UHFFFAOYSA-N	-1	0	324.381	0.547	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001705229204	1180309483	/nfs/dbraw/zinc/30/94/83/1180309483.db2.gz	QBVLXUZEDYJYPJ-SNVBAGLBSA-N	-1	0	306.366	0.967	20	30		DCEDRM
CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@H]1CCN(CC#N)C1	ZINC001715033645	1181663041	/nfs/dbraw/zinc/66/30/41/1181663041.db2.gz	XTVGUMGLRJEBDU-VIFPVBQESA-N	-1	0	320.315	0.500	20	30		DCEDRM
C=CCN1CC[C@H]1CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001716654423	1182481685	/nfs/dbraw/zinc/48/16/85/1182481685.db2.gz	BVLMLBBNYODXEX-AWEZNQCLSA-N	-1	0	306.410	0.751	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001717141466	1182692866	/nfs/dbraw/zinc/69/28/66/1182692866.db2.gz	PWQHJVHGHOILNM-LLVKDONJSA-N	-1	0	323.397	0.430	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001726218203	1185120763	/nfs/dbraw/zinc/12/07/63/1185120763.db2.gz	FNIKHBGMXCWKND-HAQNSBGRSA-N	-1	0	316.361	0.462	20	30		DCEDRM
CCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CCN(CC#N)CC1	ZINC001731386525	1185311611	/nfs/dbraw/zinc/31/16/11/1185311611.db2.gz	VYDCXTMRNCJVHD-UHFFFAOYSA-N	-1	0	320.353	0.123	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001731715862	1185454938	/nfs/dbraw/zinc/45/49/38/1185454938.db2.gz	GJOCHIZHFTZCDY-GFCCVEGCSA-N	-1	0	305.382	0.737	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001737722113	1187392243	/nfs/dbraw/zinc/39/22/43/1187392243.db2.gz	QNVNUUWIDNMPNC-LLVKDONJSA-N	-1	0	324.381	0.593	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001744711789	1188229413	/nfs/dbraw/zinc/22/94/13/1188229413.db2.gz	VTUJWSSSWRQIFD-BDAKNGLRSA-N	-1	0	323.353	0.120	20	30		DCEDRM
COCC#CCN1CCCC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001752817451	1188445160	/nfs/dbraw/zinc/44/51/60/1188445160.db2.gz	YNNXTPDVASLWJI-ZDUSSCGKSA-N	-1	0	320.393	0.658	20	30		DCEDRM
N#CCNC[C@H]1CCC[C@@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001753897732	1188674713	/nfs/dbraw/zinc/67/47/13/1188674713.db2.gz	NOMVEPVINLPMSI-ZJUUUORDSA-N	-1	0	315.333	0.940	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)C#CC2CC2)c1[O-]	ZINC001756024937	1189279770	/nfs/dbraw/zinc/27/97/70/1189279770.db2.gz	WPGSJSRQZSGVKN-VIFPVBQESA-N	-1	0	304.350	0.414	20	30		DCEDRM
C=CCCOCC(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001759251669	1190142869	/nfs/dbraw/zinc/14/28/69/1190142869.db2.gz	WQADPZWBNDCHPK-UHFFFAOYSA-N	-1	0	322.365	0.205	20	30		DCEDRM
CCOC(=O)c1c[nH]nc1S(=O)(=O)NCC(C)(C)CC#N	ZINC000315980905	1190412050	/nfs/dbraw/zinc/41/20/50/1190412050.db2.gz	OHGJKEQHELABJK-UHFFFAOYSA-N	-1	0	314.367	0.805	20	30		DCEDRM
C[C@@H]1CO[C@@H](C(F)(F)F)CN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001772117949	1190611245	/nfs/dbraw/zinc/61/12/45/1190611245.db2.gz	UEAUKYDKCUKJRL-HTRCEHHLSA-N	-1	0	318.255	0.101	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@@]3(CNc4ccccc43)C2)c(C#N)c1=O	ZINC001772116681	1190611441	/nfs/dbraw/zinc/61/14/41/1190611441.db2.gz	CELIJKRXJCWNSE-QGZVFWFLSA-N	-1	0	323.356	0.519	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](C2CC2)C2CCOCC2)c(C#N)c1=O	ZINC001772120344	1190611669	/nfs/dbraw/zinc/61/16/69/1190611669.db2.gz	OKAROODQQPHAHS-GFCCVEGCSA-N	-1	0	304.350	0.562	20	30		DCEDRM
C#CCn1cc(CNC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)cn1	ZINC000935685428	747686238	/nfs/dbraw/zinc/68/62/38/747686238.db2.gz	DFVZPHHVRDKMIW-UHFFFAOYSA-N	-1	0	315.377	0.521	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cnc(C)nc1C	ZINC001225408302	748658984	/nfs/dbraw/zinc/65/89/84/748658984.db2.gz	ZDIPCKIKQAEQDF-NSHDSACASA-N	-1	0	302.352	0.931	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)c1[O-]	ZINC001059188189	748817618	/nfs/dbraw/zinc/81/76/18/748817618.db2.gz	ABBGARFYHHGNQN-KYZUINATSA-N	-1	0	313.321	0.458	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncncc1OC	ZINC001229390561	749702795	/nfs/dbraw/zinc/70/27/95/749702795.db2.gz	MSFSRSMBZOQHKJ-SECBINFHSA-N	-1	0	304.324	0.323	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC1CC2(C1)OCCO2	ZINC001224631872	750157775	/nfs/dbraw/zinc/15/77/75/750157775.db2.gz	RIOLRMXDDITFFN-GFCCVEGCSA-N	-1	0	322.379	0.615	20	30		DCEDRM
C=C(C)CN(CC)C(=O)C(=O)N(CCOC)CCC(=O)[O-]	ZINC000904941426	750430610	/nfs/dbraw/zinc/43/06/10/750430610.db2.gz	WOXUTCKMTHJCCP-UHFFFAOYSA-N	-1	0	300.355	0.361	20	30		DCEDRM
C[C@@H]1[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)CCN1CC#N	ZINC001088977711	750751069	/nfs/dbraw/zinc/75/10/69/750751069.db2.gz	KYIBWRFGLBVXSZ-BDAKNGLRSA-N	-1	0	301.306	0.645	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nnc(C)n1CC	ZINC001234092725	750945092	/nfs/dbraw/zinc/94/50/92/750945092.db2.gz	GUVYXBVMBDFWFE-SNVBAGLBSA-N	-1	0	305.356	0.444	20	30		DCEDRM
C=CC(C)(C)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1	ZINC001048979909	755054632	/nfs/dbraw/zinc/05/46/32/755054632.db2.gz	FEGGZEFQPASLLI-PHIMTYICSA-N	-1	0	305.382	0.613	20	30		DCEDRM
C=C(Cl)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1	ZINC001081543871	756709673	/nfs/dbraw/zinc/70/96/73/756709673.db2.gz	OFRZJDRCWMPVQZ-NXEZZACHSA-N	-1	0	314.773	0.605	20	30		DCEDRM
Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[nH]n2)C3)ccc1C#N	ZINC001055252761	756765298	/nfs/dbraw/zinc/76/52/98/756765298.db2.gz	CQSPVMBVYRODHP-DYEKYZERSA-N	-1	0	323.360	0.920	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N=C3C[C@H](C)ON3)cc2=O)n1	ZINC000822512917	758199346	/nfs/dbraw/zinc/19/93/46/758199346.db2.gz	XGPLLPOATRIDJS-VIFPVBQESA-N	-1	0	316.321	0.425	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCOC1CCOCC1	ZINC001122714021	767861911	/nfs/dbraw/zinc/86/19/11/767861911.db2.gz	HHYXZYCNPDBDBT-GFCCVEGCSA-N	-1	0	305.334	0.897	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2coc(C3CC3)n2)c1	ZINC000813983910	765297893	/nfs/dbraw/zinc/29/78/93/765297893.db2.gz	HFQYVGMFJHSBMP-UHFFFAOYSA-N	-1	0	318.314	0.937	20	30		DCEDRM
Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984155	765301344	/nfs/dbraw/zinc/30/13/44/765301344.db2.gz	LRRFYHFHYQMSHY-UHFFFAOYSA-N	-1	0	319.346	0.422	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)C2CCOCC2)nn1	ZINC001118158544	766239736	/nfs/dbraw/zinc/23/97/36/766239736.db2.gz	FFFSFXUIDFWVRH-UHFFFAOYSA-N	-1	0	314.367	0.093	20	30		DCEDRM
CC(C)=CC(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001143932409	766743629	/nfs/dbraw/zinc/74/36/29/766743629.db2.gz	WOYMCYLORDVGHN-JTQLQIEISA-N	-1	0	312.328	0.495	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@@H](OC)C1	ZINC001121662562	767616542	/nfs/dbraw/zinc/61/65/42/767616542.db2.gz	CYPHBOUPILDQAC-SNVBAGLBSA-N	-1	0	304.354	0.303	20	30		DCEDRM
N#Cc1cccc(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)c1	ZINC001141513235	768582253	/nfs/dbraw/zinc/58/22/53/768582253.db2.gz	YPWBAMPOGIZVBU-UHFFFAOYSA-N	-1	0	319.328	0.877	20	30		DCEDRM
C=C[C@@H](Oc1[n-]c(=O)nc2ccc(C(N)=O)cc21)C(=O)OC	ZINC001234515094	769680909	/nfs/dbraw/zinc/68/09/09/769680909.db2.gz	DHUBVPYOXIKGSH-SNVBAGLBSA-N	-1	0	303.274	0.541	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(CC)Cc1n[nH]c(=O)[n-]1	ZINC001153018468	769695282	/nfs/dbraw/zinc/69/52/82/769695282.db2.gz	DYUPVMUODMEIJU-QMTHXVAHSA-N	-1	0	311.386	0.164	20	30		DCEDRM
C#Cc1cnc(NC(=O)c2c[n-]c3cccnc3c2=O)c(C#C)n1	ZINC001153851211	769963106	/nfs/dbraw/zinc/96/31/06/769963106.db2.gz	KTJVNBORAPGROJ-UHFFFAOYSA-N	-1	0	315.292	0.928	20	30		DCEDRM
C=CCOC(=O)c1c(N)nn(-c2cncc(C(=O)[O-])c2)c1N	ZINC001175840473	769969464	/nfs/dbraw/zinc/96/94/64/769969464.db2.gz	OVHFATZNHJRTRH-UHFFFAOYSA-N	-1	0	303.278	0.473	20	30		DCEDRM
Cn1ccc(C(=O)NCc2ncc(C#N)s2)c1CC(=O)[O-]	ZINC001177369170	770417487	/nfs/dbraw/zinc/41/74/87/770417487.db2.gz	KILSGJTVHWHZHL-UHFFFAOYSA-N	-1	0	304.331	0.910	20	30		DCEDRM
CON(Cc1ccc(C)o1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001155998525	770681422	/nfs/dbraw/zinc/68/14/22/770681422.db2.gz	CXPREYXAGLZVMH-UHFFFAOYSA-N	-1	0	318.289	0.312	20	30		DCEDRM
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N[C@@H]1CO[N-]C1=O	ZINC001156696167	770897916	/nfs/dbraw/zinc/89/79/16/770897916.db2.gz	ABKOEMPYCIDHJK-RKDXNWHRSA-N	-1	0	319.321	0.267	20	30		DCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)CCOCC	ZINC001187250654	772162422	/nfs/dbraw/zinc/16/24/22/772162422.db2.gz	UECFZCWPHAFOEC-UHFFFAOYSA-N	-1	0	311.367	0.791	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187762930	772224900	/nfs/dbraw/zinc/22/49/00/772224900.db2.gz	UFCWSKFXSYOMKG-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cccc(CC#N)c1	ZINC001188681751	772340972	/nfs/dbraw/zinc/34/09/72/772340972.db2.gz	AANSYPCLZVJXTJ-LBPRGKRZSA-N	-1	0	304.302	0.889	20	30		DCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cc(OC)ccc1C#N	ZINC001189097153	772421121	/nfs/dbraw/zinc/42/11/21/772421121.db2.gz	PWROMSIQCMQCDU-LBPRGKRZSA-N	-1	0	320.301	0.703	20	30		DCEDRM
Nc1ccc(N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])nc1	ZINC001163066485	772452492	/nfs/dbraw/zinc/45/24/92/772452492.db2.gz	SWPGLKWYNWUOHJ-JTQLQIEISA-N	-1	0	322.327	0.184	20	30		DCEDRM
CCOC(=O)c1cnc(N[C@@H]2SC(=O)[N-]C2=O)c(C#N)c1	ZINC001163667719	772555830	/nfs/dbraw/zinc/55/58/30/772555830.db2.gz	ZWLYXHFOPOUKME-SNVBAGLBSA-N	-1	0	306.303	0.851	20	30		DCEDRM
N#Cc1nc(Br)cnc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001163667247	772555994	/nfs/dbraw/zinc/55/59/94/772555994.db2.gz	QUXYOXAREVARRV-SSDOTTSWSA-N	-1	0	314.124	0.832	20	30		DCEDRM
CCOC(=O)c1cnc(N[C@H]2SC(=O)[N-]C2=O)c(C#N)c1	ZINC001163667718	772556183	/nfs/dbraw/zinc/55/61/83/772556183.db2.gz	ZWLYXHFOPOUKME-JTQLQIEISA-N	-1	0	306.303	0.851	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)NCC[P@](=O)([O-])O)c1	ZINC001190664175	772651965	/nfs/dbraw/zinc/65/19/65/772651965.db2.gz	CZZHIYITEIZTPW-UHFFFAOYSA-N	-1	0	308.227	0.153	20	30		DCEDRM
C#Cc1ccccc1C(=O)NC(=N)SCCS(=O)(=O)[O-]	ZINC001191116814	772721321	/nfs/dbraw/zinc/72/13/21/772721321.db2.gz	NZBKZNXHKNPWNC-UHFFFAOYSA-N	-1	0	312.372	0.953	20	30		DCEDRM
CS(=O)(=O)Nc1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001204581450	772953581	/nfs/dbraw/zinc/95/35/81/772953581.db2.gz	VUGQWBCQWHBUCU-UHFFFAOYSA-N	-1	0	312.311	0.271	20	30		DCEDRM
CS(=O)(=O)c1cc(F)c([N-]S(=O)(=O)CC#N)c(F)c1	ZINC001192982723	772983479	/nfs/dbraw/zinc/98/34/79/772983479.db2.gz	WAMURHUBYQAUEA-UHFFFAOYSA-N	-1	0	310.303	0.634	20	30		DCEDRM
CCc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)CC#N	ZINC001192982789	772983518	/nfs/dbraw/zinc/98/35/18/772983518.db2.gz	XZXXVJUZQOSZMZ-UHFFFAOYSA-N	-1	0	302.377	0.918	20	30		DCEDRM
COC(=O)[C@H]([N-]S(=O)(=O)CC#N)C(F)(F)c1ccccc1	ZINC001193002719	772987726	/nfs/dbraw/zinc/98/77/26/772987726.db2.gz	MHCVLAMIYSPVOL-JTQLQIEISA-N	-1	0	318.301	0.763	20	30		DCEDRM
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1c(C#N)ncn1C	ZINC001193023941	772997074	/nfs/dbraw/zinc/99/70/74/772997074.db2.gz	ABEZFZDPINEWDB-UHFFFAOYSA-N	-1	0	300.340	0.375	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ncccc1CN1CCOCC1	ZINC001193107194	773006517	/nfs/dbraw/zinc/00/65/17/773006517.db2.gz	QGNFMMXIGUHYDL-LLVKDONJSA-N	-1	0	310.379	0.568	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1nonc1-c1cn2ccncc2n1	ZINC001193107388	773006549	/nfs/dbraw/zinc/00/65/49/773006549.db2.gz	VCZRJBWVQSTKLX-ZETCQYMHSA-N	-1	0	319.306	0.433	20	30		DCEDRM
COC(=O)[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193096868	773013419	/nfs/dbraw/zinc/01/34/19/773013419.db2.gz	BURWTLCNBRBVII-BDAKNGLRSA-N	-1	0	320.367	0.091	20	30		DCEDRM
COc1cc2nc[nH]c(=O)c2cc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193158574	773019667	/nfs/dbraw/zinc/01/96/67/773019667.db2.gz	RXGCMTWGNFVLAV-SSDOTTSWSA-N	-1	0	308.319	0.998	20	30		DCEDRM
COC(=O)[C@@]1(C)COCCN1C(=O)c1ccc([O-])c(C#N)c1	ZINC001193504994	773076163	/nfs/dbraw/zinc/07/61/63/773076163.db2.gz	IKDQLBHCJYDOAY-OAHLLOKOSA-N	-1	0	304.302	0.668	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CCC3(CC2)CNC(=O)CO3)c1[O-]	ZINC001193646236	773097444	/nfs/dbraw/zinc/09/74/44/773097444.db2.gz	FPFXVFZFRGWEPA-UHFFFAOYSA-N	-1	0	315.329	0.385	20	30		DCEDRM
COC(=O)[C@@H]1CN(C)CCN1C(=O)c1cccc(C#N)c1[O-]	ZINC001193647023	773097853	/nfs/dbraw/zinc/09/78/53/773097853.db2.gz	STFSXIRMXRPEPO-LBPRGKRZSA-N	-1	0	303.318	0.193	20	30		DCEDRM
CCOC(=O)c1nnc(CNC(=O)c2cccc(C#N)c2[O-])o1	ZINC001193657955	773098842	/nfs/dbraw/zinc/09/88/42/773098842.db2.gz	NAHAURQUQNDYLP-UHFFFAOYSA-N	-1	0	316.273	0.754	20	30		DCEDRM
C=CCOC(=O)N1CCC(CNC(=O)c2cc(=O)n(C)[n-]2)CC1	ZINC001194210725	773163773	/nfs/dbraw/zinc/16/37/73/773163773.db2.gz	FTZOQSGLFKWCMY-UHFFFAOYSA-N	-1	0	322.365	0.890	20	30		DCEDRM
N#Cc1cncc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1	ZINC001195107768	773327015	/nfs/dbraw/zinc/32/70/15/773327015.db2.gz	LWQSODBCTDIUQA-UHFFFAOYSA-N	-1	0	319.302	0.735	20	30		DCEDRM
CCOC(=O)c1nnc(CNC(=O)c2ccc(C#N)cc2[O-])o1	ZINC001195764201	773470400	/nfs/dbraw/zinc/47/04/00/773470400.db2.gz	HTHNJJLJOQRUJI-UHFFFAOYSA-N	-1	0	316.273	0.754	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(O)cc1	ZINC001195825460	773488247	/nfs/dbraw/zinc/48/82/47/773488247.db2.gz	SUDCCSMMQRGMJW-UHFFFAOYSA-N	-1	0	322.302	0.876	20	30		DCEDRM
N#Cc1c(N)nc(=NC2CC2)n(-c2ccc(C(=O)[O-])nc2)c1N	ZINC001210171580	773680901	/nfs/dbraw/zinc/68/09/01/773680901.db2.gz	KXFZIMAUWXELBW-UHFFFAOYSA-N	-1	0	311.305	0.065	20	30		DCEDRM
C#Cc1cnc([N-]S(=O)(=O)CCCC(=O)OC)c(C#C)n1	ZINC001201904565	774575260	/nfs/dbraw/zinc/57/52/60/774575260.db2.gz	HNMAOLPHZHPOSF-UHFFFAOYSA-N	-1	0	307.331	0.134	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)CCO1	ZINC000316247346	774937129	/nfs/dbraw/zinc/93/71/29/774937129.db2.gz	VQWKHOUICFDQRJ-LBPRGKRZSA-N	-1	0	324.358	0.617	20	30		DCEDRM
N#CCCN1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1	ZINC000317235789	775042076	/nfs/dbraw/zinc/04/20/76/775042076.db2.gz	DMLKZDWKAHILMX-UHFFFAOYSA-N	-1	0	323.374	0.605	20	30		DCEDRM
C=C[C@@H]1O[C@@H](OCCCS(=O)(=O)[O-])[C@H]2OC(C)(C)O[C@@H]12	ZINC001224900217	775618159	/nfs/dbraw/zinc/61/81/59/775618159.db2.gz	SVNCNSDNXPQXMB-XWLWVQCSSA-N	-1	0	308.352	0.712	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Oc2nncc(=O)[n-]2)C1	ZINC001226167570	775775833	/nfs/dbraw/zinc/77/58/33/775775833.db2.gz	GMKYFXBJWBMMRS-DTWKUNHWSA-N	-1	0	307.310	0.715	20	30		DCEDRM
Cc1cc(=O)[n-]c(OC[C@H]2OC(=O)[C@@H]3OC(C)(C)O[C@H]23)c1C#N	ZINC001226223297	775784343	/nfs/dbraw/zinc/78/43/43/775784343.db2.gz	NPUNWKKOVDFGGR-YUSALJHKSA-N	-1	0	320.301	0.792	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1[nH]c(=O)ncc1OC	ZINC001226829184	775883529	/nfs/dbraw/zinc/88/35/29/775883529.db2.gz	YOEHRKOKZJRURW-MRVPVSSYSA-N	-1	0	320.323	0.029	20	30		DCEDRM
CC[C@H](C#CC(=O)OC)Oc1[n-]c(=O)nnc1Br	ZINC001227067429	775922740	/nfs/dbraw/zinc/92/27/40/775922740.db2.gz	YEZRBZZMESEQME-ZCFIWIBFSA-N	-1	0	316.111	0.674	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1n[nH]c(=O)c(C)c1C	ZINC001228152287	776053152	/nfs/dbraw/zinc/05/31/52/776053152.db2.gz	XUCUHYFUVSMIEF-JTQLQIEISA-N	-1	0	318.351	0.637	20	30		DCEDRM
C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114727387	776074961	/nfs/dbraw/zinc/07/49/61/776074961.db2.gz	VKWSVPGRZQXNLJ-PUHVVEEASA-N	-1	0	305.382	0.659	20	30		DCEDRM
C=CCC1(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCC1	ZINC001114785442	776125104	/nfs/dbraw/zinc/12/51/04/776125104.db2.gz	OLDDWGIKCWJRDV-PJXYFTJBSA-N	-1	0	317.393	0.803	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccn(C)c(=O)c1	ZINC001229676676	776212442	/nfs/dbraw/zinc/21/24/42/776212442.db2.gz	PLPMPJHYXUFXHG-NSHDSACASA-N	-1	0	303.336	0.223	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)CC1	ZINC001601048351	1168577087	/nfs/dbraw/zinc/57/70/87/1168577087.db2.gz	FBYLIYUPHDZCTD-JTQLQIEISA-N	-1	0	312.347	0.152	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C[C@H]2C=CS(=O)(=O)C2)CC1	ZINC001601048355	1168577830	/nfs/dbraw/zinc/57/78/30/1168577830.db2.gz	FBYLIYUPHDZCTD-SNVBAGLBSA-N	-1	0	312.347	0.152	20	30		DCEDRM
N#CC[C@@]1(O)CCN(CC(=O)Nc2nc(CC(=O)[O-])cs2)C1	ZINC001601062914	1168580005	/nfs/dbraw/zinc/58/00/05/1168580005.db2.gz	OVYCCFUZVATSCP-CYBMUJFWSA-N	-1	0	324.362	0.059	20	30		DCEDRM
N#CC[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])C(F)(F)F	ZINC001601062993	1168580077	/nfs/dbraw/zinc/58/00/77/1168580077.db2.gz	WQUYWOBTPBMAGB-SSDOTTSWSA-N	-1	0	324.259	0.111	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NC[C@]1(OCCO)CCOC1	ZINC001601133329	1168593571	/nfs/dbraw/zinc/59/35/71/1168593571.db2.gz	PRLZWYZZRZRPNS-CQSZACIVSA-N	-1	0	307.306	0.231	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)s1)C(=O)[O-]	ZINC001602754480	1169179376	/nfs/dbraw/zinc/17/93/76/1169179376.db2.gz	KMLJOMOSBBYBEG-ZETCQYMHSA-N	-1	0	318.376	0.545	20	30		DCEDRM
CC(C)C#CC(=O)N(C)C1CCC(NC(=O)c2cn[nH]n2)CC1	ZINC001486740430	945103075	/nfs/dbraw/zinc/10/30/75/945103075.db2.gz	BXUOIORCYZPXNR-UHFFFAOYSA-N	-1	0	317.393	0.964	20	30		DCEDRM
C#CCN1C(=O)COCC12CN(Cc1ccc(C(=O)[O-])cc1)C2	ZINC001272969688	945160280	/nfs/dbraw/zinc/16/02/80/945160280.db2.gz	UIUBQSDGERVQFS-UHFFFAOYSA-N	-1	0	314.341	0.431	20	30		DCEDRM
CCCN(CCNC(=O)c1cc(C#N)c[nH]1)Cc1n[nH]c(=O)[n-]1	ZINC001481133276	939579565	/nfs/dbraw/zinc/57/95/65/939579565.db2.gz	QFVAXVTZOGVQAN-UHFFFAOYSA-N	-1	0	317.353	0.352	20	30		DCEDRM
C#CCCCCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001267623411	939596545	/nfs/dbraw/zinc/59/65/45/939596545.db2.gz	ASAVANFEQIQRNB-LBPRGKRZSA-N	-1	0	305.382	0.785	20	30		DCEDRM
CC#CCN1CC[C@H]1CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001269260558	940665632	/nfs/dbraw/zinc/66/56/32/940665632.db2.gz	GYIVCWFYOVARQY-HNNXBMFYSA-N	-1	0	318.421	0.589	20	30		DCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@H](O)Cc1ccccc1	ZINC001412880635	942121475	/nfs/dbraw/zinc/12/14/75/942121475.db2.gz	NWROIOZILQZQSS-GXFFZTMASA-N	-1	0	314.345	0.349	20	30		DCEDRM
CC(=O)c1ccc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001412880432	942121604	/nfs/dbraw/zinc/12/16/04/942121604.db2.gz	NDAHFGOBRVCGRJ-UHFFFAOYSA-N	-1	0	312.329	0.802	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2nc(C3CC3)c[nH]2)c(=O)[n-]c1=O	ZINC001413206495	942559411	/nfs/dbraw/zinc/55/94/11/942559411.db2.gz	ZGJRWYGYONPFIB-UHFFFAOYSA-N	-1	0	314.305	0.450	20	30		DCEDRM
CCN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCCOC1	ZINC001413233114	942576140	/nfs/dbraw/zinc/57/61/40/942576140.db2.gz	OSMSUTVNCFFKOP-LBPRGKRZSA-N	-1	0	320.349	0.238	20	30		DCEDRM
C[C@@H]1CCC[C@@]1(C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413309975	942620444	/nfs/dbraw/zinc/62/04/44/942620444.db2.gz	PZXIBDNORJVCMY-MEBBXXQBSA-N	-1	0	304.350	0.763	20	30		DCEDRM
C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1cc(=O)[nH][n-]1)CC2	ZINC001272283365	942661875	/nfs/dbraw/zinc/66/18/75/942661875.db2.gz	SNTVANREDACLKB-JTQLQIEISA-N	-1	0	304.350	0.660	20	30		DCEDRM
C#CCN1CC([C@H](C)NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC001485510507	943974494	/nfs/dbraw/zinc/97/44/94/943974494.db2.gz	DCLXITDJFUUFHR-ZDUSSCGKSA-N	-1	0	318.421	0.445	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCCCCC(N)=O	ZINC001210101282	944259769	/nfs/dbraw/zinc/25/97/69/944259769.db2.gz	CLOQQLFISULMGH-NSHDSACASA-N	-1	0	309.384	0.508	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1C[C@@H](NCC#N)C1	ZINC001317129423	944815226	/nfs/dbraw/zinc/81/52/26/944815226.db2.gz	ZZDNOPOFGMGEQY-OCAPTIKFSA-N	-1	0	306.288	0.204	20	30		DCEDRM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1nc(=O)o[n-]1	ZINC001319452440	945590312	/nfs/dbraw/zinc/59/03/12/945590312.db2.gz	XGAIWDACBYMELT-UHFFFAOYSA-N	-1	0	313.273	0.857	20	30		DCEDRM
C=CC[C@H](NC(=O)Cn1cnc2c(C)cccc2c1=O)C(=O)[O-]	ZINC001321166586	946197431	/nfs/dbraw/zinc/19/74/31/946197431.db2.gz	GLLVCDTWJCDFHO-LBPRGKRZSA-N	-1	0	315.329	0.850	20	30		DCEDRM
N#CCOc1cccc(NC(=O)C(=O)[N-]OC2CCOCC2)c1	ZINC001321357627	946293965	/nfs/dbraw/zinc/29/39/65/946293965.db2.gz	IKOLXVNWAMANKI-UHFFFAOYSA-N	-1	0	319.317	0.754	20	30		DCEDRM
C=CC[C@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)[O-]	ZINC001321657088	946416625	/nfs/dbraw/zinc/41/66/25/946416625.db2.gz	CERCVXCXEGHNCO-NSHDSACASA-N	-1	0	312.347	0.234	20	30		DCEDRM
Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC001258035580	946792666	/nfs/dbraw/zinc/79/26/66/946792666.db2.gz	INYUJSLVLCGPMF-UHFFFAOYSA-N	-1	0	305.319	0.191	20	30		DCEDRM
Cn1cnc2ncnc-2c1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC001258039637	946792962	/nfs/dbraw/zinc/79/29/62/946792962.db2.gz	WNFUEGHTRJGMOI-UHFFFAOYSA-N	-1	0	314.330	0.987	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1	ZINC001602684259	971280232	/nfs/dbraw/zinc/28/02/32/971280232.db2.gz	SJXUCVWOCPYXOI-LBPRGKRZSA-N	-1	0	319.365	0.118	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2ncccc2C(N)=O)c1	ZINC001259118501	946915615	/nfs/dbraw/zinc/91/56/15/946915615.db2.gz	QQPDGXXCJHOTJH-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(S(=O)(=O)NCC)c1	ZINC001602692512	971303139	/nfs/dbraw/zinc/30/31/39/971303139.db2.gz	RNAFCSFAUOPLGU-UHFFFAOYSA-N	-1	0	324.358	0.145	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)[N-]c2cnn(CCO)c2)ccc1F	ZINC001259413015	946956066	/nfs/dbraw/zinc/95/60/66/946956066.db2.gz	YDWQUJIQVIGHPJ-UHFFFAOYSA-N	-1	0	310.310	0.687	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]c2c(C#N)cnc3ccnn32)cn1	ZINC001259832707	946993890	/nfs/dbraw/zinc/99/38/90/946993890.db2.gz	SSOIYOIUVIGXMN-UHFFFAOYSA-N	-1	0	317.334	0.618	20	30		DCEDRM
CC(C)CS(=O)(=O)[N-]c1c(C#N)cnc2c(C#N)cnn21	ZINC001259878922	947006825	/nfs/dbraw/zinc/00/68/25/947006825.db2.gz	YEAKLQWQZSVMCE-UHFFFAOYSA-N	-1	0	304.335	0.870	20	30		DCEDRM
N#Cc1cnn(-c2ncccn2)c1[N-]S(=O)(=O)C(F)F	ZINC001259951078	947035645	/nfs/dbraw/zinc/03/56/45/947035645.db2.gz	NLUGJEZUDZPEPE-UHFFFAOYSA-N	-1	0	300.250	0.498	20	30		DCEDRM
COCCS(=O)(=O)[N-]c1c(C#N)cnn1C1CCOCC1	ZINC001259966076	947041400	/nfs/dbraw/zinc/04/14/00/947041400.db2.gz	HVMSJFOPQCJJTE-UHFFFAOYSA-N	-1	0	314.367	0.494	20	30		DCEDRM
N#C[C@H](NS(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1)C(N)=O	ZINC001260880074	947154672	/nfs/dbraw/zinc/15/46/72/947154672.db2.gz	JOZWMYKQKCIEBU-ZETCQYMHSA-N	-1	0	324.145	0.355	20	30		DCEDRM
COCCO[N-]C(=O)C(=O)N[C@@H](CCC#N)c1ccccc1	ZINC001323680156	947167236	/nfs/dbraw/zinc/16/72/36/947167236.db2.gz	BGFRSHSBVJEFIF-ZDUSSCGKSA-N	-1	0	305.334	0.842	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC001602717174	971364419	/nfs/dbraw/zinc/36/44/19/971364419.db2.gz	CAFQPUBZJFTBIT-NEPJUHHUSA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C[C@@H]1CCOC1	ZINC001602717265	971365759	/nfs/dbraw/zinc/36/57/59/971365759.db2.gz	GLZAVUPZQYWTQX-TUAOUCFPSA-N	-1	0	322.365	0.445	20	30		DCEDRM
C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001262058413	947543057	/nfs/dbraw/zinc/54/30/57/947543057.db2.gz	XNHXJQCQCJRZRA-HAQNSBGRSA-N	-1	0	320.345	0.816	20	30		DCEDRM
C=CCn1c([C@@H](O)CC)nnc1N1CC[C@](COC)(C(=O)[O-])C1	ZINC001602729926	971403618	/nfs/dbraw/zinc/40/36/18/971403618.db2.gz	MJMSDYKUKGQAGX-NHYWBVRUSA-N	-1	0	324.381	0.835	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(N2CCCC2)nn1	ZINC001263291200	947828358	/nfs/dbraw/zinc/82/83/58/947828358.db2.gz	OZNIFCFSVLDPCC-LLVKDONJSA-N	-1	0	317.349	0.162	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(F)c(N2CCOCC2)c(F)c1	ZINC001263311539	947829478	/nfs/dbraw/zinc/82/94/78/947829478.db2.gz	LCMJWIRZCSEIDM-SNVBAGLBSA-N	-1	0	323.299	0.870	20	30		DCEDRM
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC001179587861	947870968	/nfs/dbraw/zinc/87/09/68/947870968.db2.gz	RFBKNBUNIXGXEU-QMMMGPOBSA-N	-1	0	309.326	0.043	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1	ZINC001327324459	948465317	/nfs/dbraw/zinc/46/53/17/948465317.db2.gz	MVXPLQDEVSZTQE-MRVPVSSYSA-N	-1	0	313.335	0.046	20	30		DCEDRM
N#Cc1nc(NCc2cnc(Cl)cn2)cnc1-c1nn[nH]n1	ZINC001570919206	948585358	/nfs/dbraw/zinc/58/53/58/948585358.db2.gz	OVPHJLRGDWTFPA-UHFFFAOYSA-N	-1	0	314.700	0.584	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1n[nH]cc1C(=O)NC1CC1	ZINC001602782669	971529206	/nfs/dbraw/zinc/52/92/06/971529206.db2.gz	XWEGJODNHHZJDD-CYBMUJFWSA-N	-1	0	305.294	0.245	20	30		DCEDRM
N#CCN1CCC(NC(=O)C(=O)[N-]OCCC(F)(F)F)CC1	ZINC001328684195	949026736	/nfs/dbraw/zinc/02/67/36/949026736.db2.gz	DDYQPWLAOQZOMR-UHFFFAOYSA-N	-1	0	322.287	0.091	20	30		DCEDRM
C[C@H](C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)n1cnc(C#N)n1	ZINC001602795991	971559645	/nfs/dbraw/zinc/55/96/45/971559645.db2.gz	RAWFABYSYIPMEC-MRVPVSSYSA-N	-1	0	317.309	0.366	20	30		DCEDRM
CN(C[C@]12CCC[C@H]1OCC2)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364590398	949598783	/nfs/dbraw/zinc/59/87/83/949598783.db2.gz	OSZKXOCDSCCDKG-IAQYHMDHSA-N	-1	0	304.350	0.341	20	30		DCEDRM
CC1(C)CNC(=O)CN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364689765	949762572	/nfs/dbraw/zinc/76/25/72/949762572.db2.gz	GJCYCTNRTGBJBA-UHFFFAOYSA-N	-1	0	300.322	0.017	20	30		DCEDRM
C[C@@H]1CCC[C@@H]1CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365374852	951036606	/nfs/dbraw/zinc/03/66/06/951036606.db2.gz	IHRDSBVKBPVJGB-GHMZBOCLSA-N	-1	0	319.365	0.556	20	30		DCEDRM
CCOC(=O)c1cnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n1C	ZINC001591269188	951107439	/nfs/dbraw/zinc/10/74/39/951107439.db2.gz	WRRCIDPUSSJJFH-ZDUSSCGKSA-N	-1	0	308.294	0.540	20	30		DCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000717437918	951476337	/nfs/dbraw/zinc/47/63/37/951476337.db2.gz	RZLVNTFKKQMDGR-QMMMGPOBSA-N	-1	0	305.739	0.863	20	30		DCEDRM
C=CCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001281436742	951498238	/nfs/dbraw/zinc/49/82/38/951498238.db2.gz	WKCJTIMDEDXWNU-RKDXNWHRSA-N	-1	0	323.353	0.262	20	30		DCEDRM
CCn1[n-]nnc1=NC(=O)NCc1ccc(OCC#N)cc1	ZINC001365824936	951586624	/nfs/dbraw/zinc/58/66/24/951586624.db2.gz	XOMHLUFZMZIQMC-UHFFFAOYSA-N	-1	0	301.310	0.339	20	30		DCEDRM
O=C([O-])CN1CC[C@H](N2CCC3(CC2)CC(=O)C=CO3)C1=O	ZINC001595073584	951614087	/nfs/dbraw/zinc/61/40/87/951614087.db2.gz	ARKQZAOPEHCCNG-LBPRGKRZSA-N	-1	0	308.334	0.010	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)[O-]	ZINC001332507512	951672387	/nfs/dbraw/zinc/67/23/87/951672387.db2.gz	QJISRRSUHRCKBM-IUCAKERBSA-N	-1	0	310.272	0.395	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc([C@H]2CCCOC2)nn1C	ZINC001332627864	951729326	/nfs/dbraw/zinc/72/93/26/951729326.db2.gz	LJPGZJMFIKWWLR-QWRGUYRKSA-N	-1	0	322.365	0.875	20	30		DCEDRM
C=C(C)CCC(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001274910120	951885092	/nfs/dbraw/zinc/88/50/92/951885092.db2.gz	BMGCKKOBYGMBLE-UHFFFAOYSA-N	-1	0	323.397	0.310	20	30		DCEDRM
C=CCN1C[C@@]2(CC1=O)CCCCN2S(=O)(=O)c1ncc[n-]1	ZINC001275460957	952165306	/nfs/dbraw/zinc/16/53/06/952165306.db2.gz	DJVIJGSDZBABHJ-AWEZNQCLSA-N	-1	0	324.406	0.741	20	30		DCEDRM
CC#CCn1nnnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC001334441674	952315034	/nfs/dbraw/zinc/31/50/34/952315034.db2.gz	JCAVWPJXIZFFNR-LLVKDONJSA-N	-1	0	316.287	0.344	20	30		DCEDRM
C[C@@H](CO)C1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001575179532	952412528	/nfs/dbraw/zinc/41/25/28/952412528.db2.gz	VUBBOEVUDQZQKI-VIFPVBQESA-N	-1	0	314.353	0.373	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21	ZINC001411903514	952527269	/nfs/dbraw/zinc/52/72/69/952527269.db2.gz	SFTPGGRTZDVHDR-VXGBXAGGSA-N	-1	0	314.345	0.851	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21	ZINC001411903507	952527642	/nfs/dbraw/zinc/52/76/42/952527642.db2.gz	SFTPGGRTZDVHDR-NEPJUHHUSA-N	-1	0	314.345	0.851	20	30		DCEDRM
C#CCCn1nnnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC001335984656	952628715	/nfs/dbraw/zinc/62/87/15/952628715.db2.gz	IIRWBCHVKRTEAN-LLVKDONJSA-N	-1	0	316.287	0.344	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1[C@H](C)C(=O)N[C@@H](C)[C@H]1C	ZINC001412296692	952738264	/nfs/dbraw/zinc/73/82/64/952738264.db2.gz	GVBZUJSKZCEXPD-IVZWLZJFSA-N	-1	0	302.334	0.705	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC23CCC(CC2)C3)c(=O)[n-]c1=O	ZINC001412781073	953087419	/nfs/dbraw/zinc/08/74/19/953087419.db2.gz	FSHLHMYGDVDEKY-UHFFFAOYSA-N	-1	0	316.361	0.907	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1c[nH]c(Br)c1	ZINC001341783964	953250495	/nfs/dbraw/zinc/25/04/95/953250495.db2.gz	CXWDSVLBWKZLJI-QMMMGPOBSA-N	-1	0	314.139	0.862	20	30		DCEDRM
CO[C@@H]1CCn2cc(C([O-])=C(C#N)C(=O)NC(C)C)nc2C1	ZINC001343411222	953344692	/nfs/dbraw/zinc/34/46/92/953344692.db2.gz	LZEQPESEQFMQKS-GHMZBOCLSA-N	-1	0	304.350	0.691	20	30		DCEDRM
CN(C)[C@H](CCNC(=O)[C@](C)(C#N)CC(=O)[O-])C(F)(F)F	ZINC001593690841	954029841	/nfs/dbraw/zinc/02/98/41/954029841.db2.gz	HZABKFDTPKUZRT-KCJUWKMLSA-N	-1	0	309.288	0.990	20	30		DCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001348294316	954255552	/nfs/dbraw/zinc/25/55/52/954255552.db2.gz	DTQCXIJAZBIMNF-UHFFFAOYSA-N	-1	0	302.312	0.345	20	30		DCEDRM
CN(CC(=O)[O-])Cc1cn(Cc2ccc(OCC#N)cc2)nn1	ZINC001593722853	954261264	/nfs/dbraw/zinc/26/12/64/954261264.db2.gz	QAIGGTBMYBRYDP-UHFFFAOYSA-N	-1	0	315.333	0.745	20	30		DCEDRM
C=CCCOCC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001350541751	955128418	/nfs/dbraw/zinc/12/84/18/955128418.db2.gz	RYDURXXHYBQBNS-LLVKDONJSA-N	-1	0	322.365	0.347	20	30		DCEDRM
C=CCCC(=O)N(C)CCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001284527377	955158555	/nfs/dbraw/zinc/15/85/55/955158555.db2.gz	PCZWDVSJBKOZRP-UHFFFAOYSA-N	-1	0	317.349	0.177	20	30		DCEDRM
Cn1cc([C@@H]2C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CCO2)cn1	ZINC001594537840	955592935	/nfs/dbraw/zinc/59/29/35/955592935.db2.gz	MDCKHIBWKAZSII-HUBLWGQQSA-N	-1	0	320.349	0.761	20	30		DCEDRM
COC(=O)c1ccc(CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])nc1	ZINC001593877625	955691778	/nfs/dbraw/zinc/69/17/78/955691778.db2.gz	XCWZLESZTHRDQF-HNNXBMFYSA-N	-1	0	319.317	0.831	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC001593921951	956088242	/nfs/dbraw/zinc/08/82/42/956088242.db2.gz	DNAUBQMGPMBNBQ-OAHLLOKOSA-N	-1	0	318.333	0.092	20	30		DCEDRM
N#CCNC(=O)CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC001594609555	956192760	/nfs/dbraw/zinc/19/27/60/956192760.db2.gz	DIRATSMAVMZORU-GFCCVEGCSA-N	-1	0	316.317	0.020	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001594610881	956207811	/nfs/dbraw/zinc/20/78/11/956207811.db2.gz	HWVMNFSLOHKJPB-RHSMWYFYSA-N	-1	0	314.341	0.855	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001594610934	956207938	/nfs/dbraw/zinc/20/79/38/956207938.db2.gz	DBGLTMQUQFFUQW-BDJLRTHQSA-N	-1	0	316.313	0.762	20	30		DCEDRM
N#Cc1c(N)sc2c1CCN(C(=O)c1cc(C(=O)[O-])n[nH]1)C2	ZINC001594614548	956232350	/nfs/dbraw/zinc/23/23/50/956232350.db2.gz	YHEKDGGRPOGWLW-UHFFFAOYSA-N	-1	0	317.330	0.822	20	30		DCEDRM
C=CC[C@H](NC(=O)c1cc(N2CCOCC2)ccn1)C(=O)[O-]	ZINC001354047346	956262434	/nfs/dbraw/zinc/26/24/34/956262434.db2.gz	NNXDRUUVAUPQNM-LBPRGKRZSA-N	-1	0	305.334	0.677	20	30		DCEDRM
N#Cc1ccc(F)c(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c1	ZINC001594619849	956272239	/nfs/dbraw/zinc/27/22/39/956272239.db2.gz	SNUGQFYEOKRSKA-SNVBAGLBSA-N	-1	0	319.292	0.959	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N(CC(=O)[O-])C2CCOCC2)nc1	ZINC001594622710	956292800	/nfs/dbraw/zinc/29/28/00/956292800.db2.gz	HLQVWQCBQVZWPO-UHFFFAOYSA-N	-1	0	318.333	0.457	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)n1	ZINC001594628464	956331353	/nfs/dbraw/zinc/33/13/53/956331353.db2.gz	VSKRDXCWRPPROA-NSHDSACASA-N	-1	0	316.317	0.509	20	30		DCEDRM
N#Cc1ccncc1N1CCN(C(=O)C2(C(=O)[O-])CC2)CC1	ZINC001594632194	956350148	/nfs/dbraw/zinc/35/01/48/956350148.db2.gz	WXBLZIVZGYAVAL-UHFFFAOYSA-N	-1	0	300.318	0.467	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(Cc2ccc(F)cc2)c1=O	ZINC001594632777	956354468	/nfs/dbraw/zinc/35/44/68/956354468.db2.gz	BKMXGXQTKNCQDH-UHFFFAOYSA-N	-1	0	303.249	0.154	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(Cc2ccccc2CF)c1=O	ZINC001594633532	956358768	/nfs/dbraw/zinc/35/87/68/956358768.db2.gz	VBZSFSCOOCQTQU-UHFFFAOYSA-N	-1	0	317.276	0.484	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(C[N@H+]1CCC[C@@H](CC(=O)[O-])C1)cc2=O	ZINC001594634736	956363893	/nfs/dbraw/zinc/36/38/93/956363893.db2.gz	OMKZQAJASIXHCC-JTQLQIEISA-N	-1	0	315.333	0.993	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2sccc2C#N)C1	ZINC001589188128	956574948	/nfs/dbraw/zinc/57/49/48/956574948.db2.gz	UAPJIIRSKBAXKQ-ZDUSSCGKSA-N	-1	0	307.331	0.881	20	30		DCEDRM
C=CCNC(=O)NC(=O)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000013054222	956919406	/nfs/dbraw/zinc/91/94/06/956919406.db2.gz	GLDQLEDAMKHYJK-UHFFFAOYSA-N	-1	0	323.261	0.684	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNC(=O)C#CC2CC2)c1[O-]	ZINC001357732034	957369512	/nfs/dbraw/zinc/36/95/12/957369512.db2.gz	NILRWXNCHHEQQO-NSCUHMNNSA-N	-1	0	302.334	0.239	20	30		DCEDRM
CON(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@H](C)C(=O)[O-]	ZINC001594034669	957799396	/nfs/dbraw/zinc/79/93/96/957799396.db2.gz	FMNGQTOJAUYRLS-SECBINFHSA-N	-1	0	305.290	0.151	20	30		DCEDRM
C=CC[C@H](NC(=O)Cn1cnc2sccc2c1=O)C(=O)[O-]	ZINC000150238794	957826457	/nfs/dbraw/zinc/82/64/57/957826457.db2.gz	BFBFQKBBGSRPJV-VIFPVBQESA-N	-1	0	307.331	0.604	20	30		DCEDRM
C#CC[C@@H](CC)c1nnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1C	ZINC001588389561	958009959	/nfs/dbraw/zinc/00/99/59/958009959.db2.gz	WTOKYPOTKWWUBZ-XHBSWPGZSA-N	-1	0	318.377	0.869	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1c(C)noc1C1CC1	ZINC001588395126	958037521	/nfs/dbraw/zinc/03/75/21/958037521.db2.gz	JQUOEUHIXGDCHO-UHFFFAOYSA-N	-1	0	305.290	0.345	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(C)c(C(C)=O)c1	ZINC001588395635	958044051	/nfs/dbraw/zinc/04/40/51/958044051.db2.gz	PDNDSTXISDWQHM-UHFFFAOYSA-N	-1	0	316.313	0.683	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(OC)cc(OC)c1	ZINC001588395846	958044967	/nfs/dbraw/zinc/04/49/67/958044967.db2.gz	QJTWZDWVNLWTIP-UHFFFAOYSA-N	-1	0	320.301	0.189	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cc(OC)c(O)c(OC)c1	ZINC001588407455	958099984	/nfs/dbraw/zinc/09/99/84/958099984.db2.gz	NYIAPETYLXVYEA-UHFFFAOYSA-N	-1	0	307.302	0.498	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1csc(N2CCCC2=O)n1	ZINC001588407658	958101263	/nfs/dbraw/zinc/10/12/63/958101263.db2.gz	SZEKHQGZLKEMNZ-UHFFFAOYSA-N	-1	0	321.358	0.359	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H](n1cccn1)C(F)(F)F	ZINC001588408430	958109392	/nfs/dbraw/zinc/10/93/92/958109392.db2.gz	MNCUIXMECBFGTD-SECBINFHSA-N	-1	0	318.255	0.716	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001297137410	958153019	/nfs/dbraw/zinc/15/30/19/958153019.db2.gz	KHUGLLXXDRGXIH-JQWIXIFHSA-N	-1	0	310.354	0.567	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(NC(=O)COC)cc1	ZINC001588412735	958153366	/nfs/dbraw/zinc/15/33/66/958153366.db2.gz	IWFUUSNGXSCQSW-UHFFFAOYSA-N	-1	0	319.317	0.823	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2CN(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001297191764	958178877	/nfs/dbraw/zinc/17/88/77/958178877.db2.gz	IHYODSOYPUHXHI-UHFFFAOYSA-N	-1	0	304.350	0.271	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(-c2cccc(OC)c2)nn1	ZINC001588419123	958192950	/nfs/dbraw/zinc/19/29/50/958192950.db2.gz	RZOZDOXXDNNHIE-UHFFFAOYSA-N	-1	0	314.301	0.436	20	30		DCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cnn(CCC#N)c2C)C1=O	ZINC001297273556	958208368	/nfs/dbraw/zinc/20/83/68/958208368.db2.gz	MEVFZDMFCIPENN-CQSZACIVSA-N	-1	0	318.337	0.471	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2nc[nH]c2C)n1CC=C	ZINC001588426657	958230748	/nfs/dbraw/zinc/23/07/48/958230748.db2.gz	VRZMLLNWQLTBDH-UHFFFAOYSA-N	-1	0	300.322	0.687	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnnn1[C@@H]1CCO[C@@H](C2CC2)C1	ZINC001588426725	958232529	/nfs/dbraw/zinc/23/25/29/958232529.db2.gz	ACCKSHLNBKUVHL-VXGBXAGGSA-N	-1	0	305.338	0.327	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCC[C@H](CO)C2)n1C	ZINC001588427307	958243206	/nfs/dbraw/zinc/24/32/06/958243206.db2.gz	SPFUKLDAGUMUIR-RYUDHWBXSA-N	-1	0	306.366	0.605	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(=O)NC(C)C)n1CC=C	ZINC001588427371	958244872	/nfs/dbraw/zinc/24/48/72/958244872.db2.gz	VKVPFRBFFOWCLE-UHFFFAOYSA-N	-1	0	305.338	0.127	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N(CC(=O)[O-])c1ccc2c(c1)OCO2	ZINC001588431423	958270971	/nfs/dbraw/zinc/27/09/71/958270971.db2.gz	OZHGPETZMCOVKU-JTQLQIEISA-N	-1	0	305.286	0.871	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)c2cn(CC(=O)[O-])nn2)cc1	ZINC001588433032	958291381	/nfs/dbraw/zinc/29/13/81/958291381.db2.gz	AEKVAOZYVIULIZ-UHFFFAOYSA-N	-1	0	314.301	0.305	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588443094	958351338	/nfs/dbraw/zinc/35/13/38/958351338.db2.gz	XXEGHMBSNXMBCR-YFKTTZPYSA-N	-1	0	310.350	0.063	20	30		DCEDRM
Cc1cc(NC(=O)CSc2n[nH]c(=O)[n-]2)n(CCC#N)n1	ZINC001361845041	958397920	/nfs/dbraw/zinc/39/79/20/958397920.db2.gz	WOWGYTXZCYYQKD-UHFFFAOYSA-N	-1	0	307.339	0.660	20	30		DCEDRM
Cc1ccc(CNC(=O)C(=O)N(C)CCC(=O)[O-])cc1C#N	ZINC001594358615	958425980	/nfs/dbraw/zinc/42/59/80/958425980.db2.gz	LPWDJKHCVQZCNE-UHFFFAOYSA-N	-1	0	303.318	0.416	20	30		DCEDRM
CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(C#N)nc1	ZINC001361883995	958444774	/nfs/dbraw/zinc/44/47/74/958444774.db2.gz	SWSYOWASXWZVND-UHFFFAOYSA-N	-1	0	309.289	0.001	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)CSc2n[nH]c(=O)[n-]2)cc1	ZINC001361902902	958469248	/nfs/dbraw/zinc/46/92/48/958469248.db2.gz	ZQEUQUXBKVRVPN-UHFFFAOYSA-N	-1	0	319.346	0.821	20	30		DCEDRM
C=CCN(CC=C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588463162	958480945	/nfs/dbraw/zinc/48/09/45/958480945.db2.gz	ACSWNPDTPZWKJB-LBPRGKRZSA-N	-1	0	309.366	0.836	20	30		DCEDRM
C=CCOCCCNC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001573336541	958519093	/nfs/dbraw/zinc/51/90/93/958519093.db2.gz	CCSSJBCDQFNKHQ-AWEZNQCLSA-N	-1	0	316.354	0.091	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001588469792	958519930	/nfs/dbraw/zinc/51/99/30/958519930.db2.gz	UOXXAEZRLJAAKX-ARJAWSKDSA-N	-1	0	313.331	0.708	20	30		DCEDRM
CC[C@@](C)(NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(N)=O	ZINC001361952293	958532367	/nfs/dbraw/zinc/53/23/67/958532367.db2.gz	YETHGVMJQCQUAC-CYBMUJFWSA-N	-1	0	308.363	0.765	20	30		DCEDRM
C=CCn1c([C@@H]2CCNC(=O)C2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588471909	958537398	/nfs/dbraw/zinc/53/73/98/958537398.db2.gz	FZNDFXLNBKTNJN-GHMZBOCLSA-N	-1	0	319.365	0.369	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC001588472497	958543441	/nfs/dbraw/zinc/54/34/41/958543441.db2.gz	NPXRFPIXHVINTC-UTUOFQBUSA-N	-1	0	308.382	0.934	20	30		DCEDRM
CCCc1nnc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001361962509	958545966	/nfs/dbraw/zinc/54/59/66/958545966.db2.gz	JETSNFDTBHZWCR-UHFFFAOYSA-N	-1	0	320.334	0.263	20	30		DCEDRM
C=CCn1c(N2CC[C@@](C)(C(=O)[O-])C2)nnc1[C@]1(O)CCOC1	ZINC001588473402	958551532	/nfs/dbraw/zinc/55/15/32/958551532.db2.gz	YZRPPYQWBMGLML-CABCVRRESA-N	-1	0	322.365	0.373	20	30		DCEDRM
O=C([O-])C[C@H]1CS(=O)(=O)CCN1CC#Cc1ccccc1	ZINC000126306117	958586004	/nfs/dbraw/zinc/58/60/04/958586004.db2.gz	IULPTUZLJLQPOF-AWEZNQCLSA-N	-1	0	307.371	0.612	20	30		DCEDRM
CC(=O)N1CCC(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001362019712	958614231	/nfs/dbraw/zinc/61/42/31/958614231.db2.gz	QIKHWBVNTQJQGE-UHFFFAOYSA-N	-1	0	302.334	0.708	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cnn(CC3CC3)c2)c(=O)[n-]c1=O	ZINC001362024328	958622093	/nfs/dbraw/zinc/62/20/93/958622093.db2.gz	WQHKTHVDBKXQJD-UHFFFAOYSA-N	-1	0	314.305	0.066	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	ZINC001594386432	958676824	/nfs/dbraw/zinc/67/68/24/958676824.db2.gz	JASCSASEOBSQIL-UHFFFAOYSA-N	-1	0	324.358	0.779	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN2C(=O)OC[C@H]2C1	ZINC001362084000	958708428	/nfs/dbraw/zinc/70/84/28/958708428.db2.gz	CQDDTLDNCDYRBB-SNVBAGLBSA-N	-1	0	302.290	0.244	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCCC[C@H]2C(N)=O)cc1C#N	ZINC001362092054	958722489	/nfs/dbraw/zinc/72/24/89/958722489.db2.gz	KCDLLEGFYJEOAA-JTQLQIEISA-N	-1	0	320.374	0.861	20	30		DCEDRM
CC[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@@H](C)O1	ZINC001362101630	958740232	/nfs/dbraw/zinc/74/02/32/958740232.db2.gz	JEPDMRAGFFEIIA-PWSUYJOCSA-N	-1	0	320.349	0.237	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1cc(C#N)ccc1F)[C@@H](C)C(=O)[O-]	ZINC001588507692	958742144	/nfs/dbraw/zinc/74/21/44/958742144.db2.gz	NSYQQEGUEZTVTD-VIFPVBQESA-N	-1	0	321.308	0.749	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCCN(C(N)=O)CC1	ZINC001362109903	958754483	/nfs/dbraw/zinc/75/44/83/958754483.db2.gz	PBTXJCDAABZBDA-UHFFFAOYSA-N	-1	0	303.322	0.194	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](CO)CC1CCOCC1	ZINC001588538791	958944449	/nfs/dbraw/zinc/94/44/49/958944449.db2.gz	NOLYLJJYHFZDLW-SWLSCSKDSA-N	-1	0	312.366	0.532	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-]	ZINC000159583980	959121147	/nfs/dbraw/zinc/12/11/47/959121147.db2.gz	YQFAYPNEAVBLRT-GFCCVEGCSA-N	-1	0	310.331	0.400	20	30		DCEDRM
C[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCCOC1	ZINC001362312468	959121504	/nfs/dbraw/zinc/12/15/04/959121504.db2.gz	RFCVGRDNMKXARX-GHMZBOCLSA-N	-1	0	320.349	0.142	20	30		DCEDRM
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](C)C(=O)[O-])CC2)o1	ZINC001594444913	959318659	/nfs/dbraw/zinc/31/86/59/959318659.db2.gz	DLLWFSZZPBMLRV-SECBINFHSA-N	-1	0	320.349	0.908	20	30		DCEDRM
Cc1nc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)ccc1C#N	ZINC001594447079	959338829	/nfs/dbraw/zinc/33/88/29/959338829.db2.gz	DONIODFKEBCCSM-LLVKDONJSA-N	-1	0	303.274	0.104	20	30		DCEDRM
CC(C)(C#N)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001588606844	959482015	/nfs/dbraw/zinc/48/20/15/959482015.db2.gz	MQZLLNXIPGVTEQ-JTQLQIEISA-N	-1	0	307.350	0.460	20	30		DCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588630967	959609210	/nfs/dbraw/zinc/60/92/10/959609210.db2.gz	UOVPAXFQOCVZRL-SECBINFHSA-N	-1	0	316.379	0.320	20	30		DCEDRM
CC(C)(C)[C@](C)(C#N)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588640765	959688049	/nfs/dbraw/zinc/68/80/49/959688049.db2.gz	NDUCBOKPPQYOTG-BMIGLBTASA-N	-1	0	309.366	0.754	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)cc1O	ZINC001362676532	959810971	/nfs/dbraw/zinc/81/09/71/959810971.db2.gz	YNUQIHPFKWARMO-JTQLQIEISA-N	-1	0	316.346	0.707	20	30		DCEDRM
CCC[C@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)OCC	ZINC001362705743	959862991	/nfs/dbraw/zinc/86/29/91/959862991.db2.gz	LUIGLMTZNMFHRZ-LLVKDONJSA-N	-1	0	308.338	0.142	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001362722750	959890287	/nfs/dbraw/zinc/89/02/87/959890287.db2.gz	HLNSEESVXHSZRI-UHFFFAOYSA-N	-1	0	316.296	0.334	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC001362775138	959971096	/nfs/dbraw/zinc/97/10/96/959971096.db2.gz	HGDZMOBSHJRLLN-ZDUSSCGKSA-N	-1	0	311.345	0.780	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1CCCS(=O)(=O)C1	ZINC001362963747	960234631	/nfs/dbraw/zinc/23/46/31/960234631.db2.gz	NQVHODQAZFWOBH-JTQLQIEISA-N	-1	0	323.374	0.522	20	30		DCEDRM
Cc1ccc([C@H](C)C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001363005264	960287475	/nfs/dbraw/zinc/28/74/75/960287475.db2.gz	XKVCTHSLFVLCQR-JTQLQIEISA-N	-1	0	316.317	0.642	20	30		DCEDRM
COc1ccc(N(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001363019890	960306385	/nfs/dbraw/zinc/30/63/85/960306385.db2.gz	SEGAVCKQMVFKNK-UHFFFAOYSA-N	-1	0	314.301	0.492	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC001574250208	960506386	/nfs/dbraw/zinc/50/63/86/960506386.db2.gz	VOPJIKOHOHTROS-BFHYXJOUSA-N	-1	0	300.314	0.974	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C2(C(=O)[O-])CC2)C1	ZINC001588677771	960570319	/nfs/dbraw/zinc/57/03/19/960570319.db2.gz	MFSMCCYSONJWNP-ZJUUUORDSA-N	-1	0	323.349	0.726	20	30		DCEDRM
Cc1ccc(C)c(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001363287808	960796380	/nfs/dbraw/zinc/79/63/80/960796380.db2.gz	PBVJWVXAZIBPFH-UHFFFAOYSA-N	-1	0	312.329	0.867	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)NC[C@]1(C(=O)[O-])CCOC1	ZINC001571085372	961052287	/nfs/dbraw/zinc/05/22/87/961052287.db2.gz	OGXZRLOSESGTRC-OAHLLOKOSA-N	-1	0	304.302	0.788	20	30		DCEDRM
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001363452716	961187618	/nfs/dbraw/zinc/18/76/18/961187618.db2.gz	SLIHVEHXAVUQBQ-VIFPVBQESA-N	-1	0	301.306	0.781	20	30		DCEDRM
CC(F)(F)C1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001363480757	961243783	/nfs/dbraw/zinc/24/37/83/961243783.db2.gz	AUCIIIGGOCUWOX-UHFFFAOYSA-N	-1	0	312.276	0.372	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@@H](CO)C(=O)[O-])c1Br	ZINC001571114796	961375666	/nfs/dbraw/zinc/37/56/66/961375666.db2.gz	ARSUKMUNIBACPW-QMMMGPOBSA-N	-1	0	313.107	0.496	20	30		DCEDRM
N#CC[C@@H](C(=O)NCCn1cc(C(=O)[O-])nn1)c1ccccc1	ZINC001571118870	961416907	/nfs/dbraw/zinc/41/69/07/961416907.db2.gz	KJBHQTQDYSCHFR-GFCCVEGCSA-N	-1	0	313.317	0.790	20	30		DCEDRM
N#CC[C@H](C(=O)NCCn1cc(C(=O)[O-])nn1)c1ccccc1	ZINC001571118871	961417421	/nfs/dbraw/zinc/41/74/21/961417421.db2.gz	KJBHQTQDYSCHFR-LBPRGKRZSA-N	-1	0	313.317	0.790	20	30		DCEDRM
C=CCOC[C@@H](NCc1c2c(nn1C)CCSC2)C(=O)[O-]	ZINC001331963747	961439309	/nfs/dbraw/zinc/43/93/09/961439309.db2.gz	RQWQMUHWRIBVKA-GFCCVEGCSA-N	-1	0	311.407	0.955	20	30		DCEDRM
CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](CC#N)C1)C(=O)[O-]	ZINC001588815242	961564576	/nfs/dbraw/zinc/56/45/76/961564576.db2.gz	ICMZVFDEMJNDQF-RYUDHWBXSA-N	-1	0	309.366	0.612	20	30		DCEDRM
CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCCCO1	ZINC001363695130	961708312	/nfs/dbraw/zinc/70/83/12/961708312.db2.gz	JJKQZCCMSFAKHL-VXGBXAGGSA-N	-1	0	320.349	0.284	20	30		DCEDRM
CC(C)OC(=O)[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(C)C	ZINC001363737353	961789701	/nfs/dbraw/zinc/78/97/01/961789701.db2.gz	XQLMILFJSCNTDD-JTQLQIEISA-N	-1	0	308.338	0.333	20	30		DCEDRM
CC(C)C[C@@H](C#N)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588845752	961858070	/nfs/dbraw/zinc/85/80/70/961858070.db2.gz	IGVYRWAEPAPICU-JTQLQIEISA-N	-1	0	316.379	0.320	20	30		DCEDRM
Cc1csc(NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001364069960	962413318	/nfs/dbraw/zinc/41/33/18/962413318.db2.gz	FZFLDTGQEHEYKD-UHFFFAOYSA-N	-1	0	320.334	0.407	20	30		DCEDRM
Cc1ncc2c(n1)CC[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C2	ZINC001364152525	962567975	/nfs/dbraw/zinc/56/79/75/962567975.db2.gz	RBXUOHDUSBXHBX-SNVBAGLBSA-N	-1	0	312.333	0.013	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@H](c3ncc[nH]3)C2)c(C#N)c1=O	ZINC001364165907	962595276	/nfs/dbraw/zinc/59/52/76/962595276.db2.gz	OYKIBURWPJXRQB-VIFPVBQESA-N	-1	0	300.322	0.052	20	30		DCEDRM
CC(C)[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC(C)(C)C	ZINC001364171510	962608595	/nfs/dbraw/zinc/60/85/95/962608595.db2.gz	PBHHJRWWXWTUBP-SNVBAGLBSA-N	-1	0	322.365	0.723	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(N2CCOC2=O)cc1)C(=O)[O-]	ZINC001573302918	962665050	/nfs/dbraw/zinc/66/50/50/962665050.db2.gz	HMOYAGNDUUNEOD-GFCCVEGCSA-N	-1	0	302.286	0.850	20	30		DCEDRM
O=C([O-])CCCCNC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC001574701973	962683480	/nfs/dbraw/zinc/68/34/80/962683480.db2.gz	FQGUTGRTSQTMLG-SEYXRHQNSA-N	-1	0	324.337	0.067	20	30		DCEDRM
C=C(Br)CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573313656	962734229	/nfs/dbraw/zinc/73/42/29/962734229.db2.gz	OHJXWGNHVBESMG-NXEZZACHSA-N	-1	0	317.183	0.760	20	30		DCEDRM
C=C(Br)CN1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573314067	962740742	/nfs/dbraw/zinc/74/07/42/962740742.db2.gz	VWRSEMFJLUEBIN-ZJUUUORDSA-N	-1	0	317.183	0.664	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1nnn(-c2ccn(C)n2)c1C)C(=O)[O-]	ZINC001573323927	962777990	/nfs/dbraw/zinc/77/79/90/962777990.db2.gz	JFLAQWSKOGXMNW-SNVBAGLBSA-N	-1	0	318.337	0.458	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)OCC	ZINC001573324629	962788320	/nfs/dbraw/zinc/78/83/20/962788320.db2.gz	WCJKTEUOWITPNC-JTQLQIEISA-N	-1	0	322.383	0.125	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)C(=O)[O-]	ZINC000275079051	962822581	/nfs/dbraw/zinc/82/25/81/962822581.db2.gz	YFEHPEIGRAOKMV-SKDRFNHKSA-N	-1	0	309.343	0.765	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)NC[C@H](C)NC(=O)CNC(=O)[O-]	ZINC001573338448	962875584	/nfs/dbraw/zinc/87/55/84/962875584.db2.gz	BFCRTUIDSGXHQG-ZETCQYMHSA-N	-1	0	305.762	0.654	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)CNC(=O)[O-])C1	ZINC001573339582	962890641	/nfs/dbraw/zinc/89/06/41/962890641.db2.gz	TXDJXKKGLZRVTO-UHFFFAOYSA-N	-1	0	303.746	0.360	20	30		DCEDRM
C=CCCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C2	ZINC001573353378	963000410	/nfs/dbraw/zinc/00/04/10/963000410.db2.gz	UEYGDVFNCIFCEE-NEPJUHHUSA-N	-1	0	306.362	0.734	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C(=O)OCC)cn1)C(=O)[O-]	ZINC001573368103	963074182	/nfs/dbraw/zinc/07/41/82/963074182.db2.gz	AIOGKEQFWGBDKF-GFCCVEGCSA-N	-1	0	322.317	0.644	20	30		DCEDRM
CC(=O)N1CCC(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	ZINC001573410881	963157480	/nfs/dbraw/zinc/15/74/80/963157480.db2.gz	YHPHIUAGSHFXIB-UHFFFAOYSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588447961	964092684	/nfs/dbraw/zinc/09/26/84/964092684.db2.gz	VGUCHLGOLYVRRI-UHFFFAOYSA-N	-1	0	315.347	0.947	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2c[nH]c(C#N)c2)c1[O-]	ZINC001431194616	1013941901	/nfs/dbraw/zinc/94/19/01/1013941901.db2.gz	JVKHERGKUPLTBK-UHFFFAOYSA-N	-1	0	316.321	0.126	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC001609701301	970472859	/nfs/dbraw/zinc/47/28/59/970472859.db2.gz	YRAPMIRSRRBKLT-GWCFXTLKSA-N	-1	0	315.329	0.496	20	30		DCEDRM
CN(Cc1ccc(C(N)=O)cc1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001604187380	972614252	/nfs/dbraw/zinc/61/42/52/972614252.db2.gz	QHDALTJPLCZYLV-OAHLLOKOSA-N	-1	0	303.318	0.748	20	30		DCEDRM
C=CCNC(=O)CNC(=O)NCCc1ccccc1C(=O)[O-]	ZINC000393837184	972649320	/nfs/dbraw/zinc/64/93/20/972649320.db2.gz	OXZAEKILEVSYBE-UHFFFAOYSA-N	-1	0	305.334	0.529	20	30		DCEDRM
C=C(Br)CNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC000401912866	973526292	/nfs/dbraw/zinc/52/62/92/973526292.db2.gz	UYDZPYRWQBEGST-YUMQZZPRSA-N	-1	0	307.144	0.372	20	30		DCEDRM
Cc1nsc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1C#N	ZINC001605455419	973544426	/nfs/dbraw/zinc/54/44/26/973544426.db2.gz	RDXPSWJHZMAZGK-SDBXPKJASA-N	-1	0	322.346	0.888	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)[C@]2(C#N)CC23CCCC3)CCO1	ZINC001604551833	973578493	/nfs/dbraw/zinc/57/84/93/973578493.db2.gz	WKERNDQRFCITFZ-CVEARBPZSA-N	-1	0	322.361	0.789	20	30		DCEDRM
Cn1c(C#N)ccc1-c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C	ZINC001605467889	973581137	/nfs/dbraw/zinc/58/11/37/973581137.db2.gz	ZYFMGIQSOYGXPV-JTQLQIEISA-N	-1	0	314.349	0.993	20	30		DCEDRM
Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)C#CC3CC3)C2)cn1	ZINC001605484069	973607716	/nfs/dbraw/zinc/60/77/16/973607716.db2.gz	SLGZYUMBKDQDPP-OLZOCXBDSA-N	-1	0	301.346	0.850	20	30		DCEDRM
N#C[C@]1(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCc2ccccc2C1	ZINC001605583614	973875064	/nfs/dbraw/zinc/87/50/64/973875064.db2.gz	XDAMFQWSCUYFNO-CJNGLKHVSA-N	-1	0	313.313	0.783	20	30		DCEDRM
N#Cc1cc(NC(=O)NCCOCCOCC(=O)[O-])ccn1	ZINC001605597637	973900429	/nfs/dbraw/zinc/90/04/29/973900429.db2.gz	YIBIBKASFMIZPQ-UHFFFAOYSA-N	-1	0	308.294	0.193	20	30		DCEDRM
N#Cc1ccc(C2(C(=O)Nc3ncn(CC(=O)[O-])n3)CC2)cc1	ZINC001605601827	973907781	/nfs/dbraw/zinc/90/77/81/973907781.db2.gz	FRKWNOOKJZPFMT-UHFFFAOYSA-N	-1	0	311.301	0.905	20	30		DCEDRM
CCOC(=O)[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC12COC2	ZINC001603792156	974250643	/nfs/dbraw/zinc/25/06/43/974250643.db2.gz	IYUTVIPRNRGEMJ-HZMBPMFUSA-N	-1	0	324.333	0.029	20	30		DCEDRM
CCc1nn([C@@H]2CCN(CC(=O)[O-])C2=O)c(=O)c(C#N)c1CC	ZINC001603993602	974495156	/nfs/dbraw/zinc/49/51/56/974495156.db2.gz	XRYOGBNMIUJRGE-GFCCVEGCSA-N	-1	0	318.333	0.098	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000586178479	974964258	/nfs/dbraw/zinc/96/42/58/974964258.db2.gz	WJXJHYZPAILYPO-UHFFFAOYSA-N	-1	0	313.291	0.584	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)s2)C1	ZINC000703760202	977191566	/nfs/dbraw/zinc/19/15/66/977191566.db2.gz	BNIWBSAJYYVWQQ-NSHDSACASA-N	-1	0	316.360	0.484	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NC1(C(=O)[O-])CCSCC1	ZINC001592221895	977402811	/nfs/dbraw/zinc/40/28/11/977402811.db2.gz	ODECIFAMHPXMNG-VIFPVBQESA-N	-1	0	321.424	0.405	20	30		DCEDRM
C[C@@H](CC#N)NC(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001592221919	977402961	/nfs/dbraw/zinc/40/29/61/977402961.db2.gz	ONYSGYKTZKXQCJ-ZETCQYMHSA-N	-1	0	324.362	0.862	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC001592222342	977407384	/nfs/dbraw/zinc/40/73/84/977407384.db2.gz	VIOAHPUSJYYOBG-CMPLNLGQSA-N	-1	0	319.383	0.079	20	30		DCEDRM
C#CC[C@@H](COC)NS(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC000712831678	977606662	/nfs/dbraw/zinc/60/66/62/977606662.db2.gz	KXEMBDLBABUYII-CXQJBGSLSA-N	-1	0	303.380	0.588	20	30		DCEDRM
C[C@H](CC(=O)[O-])CC(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC001592371529	977895007	/nfs/dbraw/zinc/89/50/07/977895007.db2.gz	PJTDXQHXYVMIOI-VIFPVBQESA-N	-1	0	307.354	0.755	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000717921063	977925696	/nfs/dbraw/zinc/92/56/96/977925696.db2.gz	SKSPLYBFXVFUBB-QMMMGPOBSA-N	-1	0	303.361	0.499	20	30		DCEDRM
CC[C@@H](CC#N)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001595030377	979166944	/nfs/dbraw/zinc/16/69/44/979166944.db2.gz	PLRPDHJJMBHRPS-VIFPVBQESA-N	-1	0	307.310	0.023	20	30		DCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-]	ZINC001592833150	979568973	/nfs/dbraw/zinc/56/89/73/979568973.db2.gz	CANSPVWBSGJNCC-QWRGUYRKSA-N	-1	0	318.329	0.869	20	30		DCEDRM
C[C@](NC(=O)Cn1cnc(C#N)n1)(C(=O)[O-])c1ccc(F)cc1	ZINC001593052108	980351900	/nfs/dbraw/zinc/35/19/00/980351900.db2.gz	WMOMXNUQXHPQEM-CQSZACIVSA-N	-1	0	317.280	0.405	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N(C)CCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001523383537	1014681567	/nfs/dbraw/zinc/68/15/67/1014681567.db2.gz	UUQAWFXZVXIHPZ-LLVKDONJSA-N	-1	0	322.365	0.040	20	30		DCEDRM
C=C(C)Cn1c(Cc2nn[nH]n2)nnc1N(C)CC(F)(F)F	ZINC001524009108	1014825129	/nfs/dbraw/zinc/82/51/29/1014825129.db2.gz	NXOPQWSAQWWCOF-UHFFFAOYSA-N	-1	0	316.291	0.957	20	30		DCEDRM
CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001594905269	982383859	/nfs/dbraw/zinc/38/38/59/982383859.db2.gz	QJNJVEBGLWUJSW-PRHODGIISA-N	-1	0	308.290	0.924	20	30		DCEDRM
CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1ccnc(C#N)c1)C(=O)[O-]	ZINC001594905554	982385553	/nfs/dbraw/zinc/38/55/53/982385553.db2.gz	SAFJPGQHSRWJOZ-NOZJJQNGSA-N	-1	0	319.317	0.726	20	30		DCEDRM
CC(C)(C(=O)[O-])n1cc(NC(=O)N2CCO[C@@](C)(C#N)C2)cn1	ZINC001573589883	983066725	/nfs/dbraw/zinc/06/67/25/983066725.db2.gz	KHHGNSYQBKYVKE-AWEZNQCLSA-N	-1	0	321.337	0.849	20	30		DCEDRM
Cn1cc(C(=O)[O-])c(NC(=O)N2CCN(CCC#N)CC2)n1	ZINC001574211708	983192381	/nfs/dbraw/zinc/19/23/81/983192381.db2.gz	LVVZOKRTVDTLEG-UHFFFAOYSA-N	-1	0	306.326	0.181	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])nc1	ZINC001574249132	983202829	/nfs/dbraw/zinc/20/28/29/983202829.db2.gz	FTQQRMRWYVGAJH-NWDGAFQWSA-N	-1	0	318.333	0.504	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl	ZINC001588368626	983307001	/nfs/dbraw/zinc/30/70/01/983307001.db2.gz	PAKTZXUJLTYABW-ZETCQYMHSA-N	-1	0	309.709	0.852	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1CCOCC1	ZINC001588372764	983333723	/nfs/dbraw/zinc/33/37/23/983333723.db2.gz	SEUVOYFAJIPKQF-ZDUSSCGKSA-N	-1	0	319.361	0.815	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1)[C@H]1CCCO1	ZINC001588376549	983352552	/nfs/dbraw/zinc/35/25/52/983352552.db2.gz	VMSJZNVRMGPWTM-CHWSQXEVSA-N	-1	0	324.358	0.547	20	30		DCEDRM
C#C[C@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)[C@@H]1CCCO1	ZINC001588378539	983362745	/nfs/dbraw/zinc/36/27/45/983362745.db2.gz	ZRYVPCLMVLQKPE-QWRGUYRKSA-N	-1	0	323.374	0.479	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1	ZINC001588382162	983369253	/nfs/dbraw/zinc/36/92/53/983369253.db2.gz	IESIQUVTIDDTOS-MKBNYLNASA-N	-1	0	306.362	0.427	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588393137	983396435	/nfs/dbraw/zinc/39/64/35/983396435.db2.gz	BXLYPMQHAQHDHO-OLZOCXBDSA-N	-1	0	312.366	0.282	20	30		DCEDRM
C#CC[C@H](COC)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588393624	983399160	/nfs/dbraw/zinc/39/91/60/983399160.db2.gz	CWGBHWCVFVYKSV-LLVKDONJSA-N	-1	0	322.342	0.573	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1)C(=O)[O-]	ZINC001588399051	983414699	/nfs/dbraw/zinc/41/46/99/983414699.db2.gz	PZRKVDIMAGLIJX-ZWNOBZJWSA-N	-1	0	318.304	0.771	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCc1nc(-c2ccoc2)no1)C(=O)[O-]	ZINC001588405712	983422704	/nfs/dbraw/zinc/42/27/04/983422704.db2.gz	SKUHFHPKUAGQDB-SNVBAGLBSA-N	-1	0	303.274	0.855	20	30		DCEDRM
C#CC[C@@H](NC(=O)CSc1nnnn1C1CCCC1)C(=O)[O-]	ZINC001588406003	983423702	/nfs/dbraw/zinc/42/37/02/983423702.db2.gz	WBNUWKZAVNCBCL-SNVBAGLBSA-N	-1	0	323.378	0.473	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1)C(=O)[O-]	ZINC001588406392	983425110	/nfs/dbraw/zinc/42/51/10/983425110.db2.gz	PGMOFVAOCAYQEV-KBPBESRZSA-N	-1	0	314.341	0.741	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@@H](n1cccn1)C(F)(F)F)C(=O)[O-]	ZINC001588406936	983426865	/nfs/dbraw/zinc/42/68/65/983426865.db2.gz	UFTSPIRVNOTINP-RKDXNWHRSA-N	-1	0	303.240	0.969	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001450148343	1014945955	/nfs/dbraw/zinc/94/59/55/1014945955.db2.gz	DALKICKXJKPDPH-UHFFFAOYSA-N	-1	0	303.322	0.219	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)OC	ZINC001588423295	983451714	/nfs/dbraw/zinc/45/17/14/983451714.db2.gz	CHQMIBKFJXODEC-QMMMGPOBSA-N	-1	0	317.344	0.290	20	30		DCEDRM
C#CCC1(C(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)CCC1	ZINC001588428278	983461080	/nfs/dbraw/zinc/46/10/80/983461080.db2.gz	IOYSRJQXYKWWJN-NWDGAFQWSA-N	-1	0	318.373	0.666	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cnn(C2CCCC2)c1)C(=O)[O-]	ZINC001588428459	983462192	/nfs/dbraw/zinc/46/21/92/983462192.db2.gz	PHTZKHBPUAQWKT-GFCCVEGCSA-N	-1	0	311.363	0.753	20	30		DCEDRM
C#CCC1(NS(=O)(=O)c2cncc(C(=O)[O-])c2)CCOCC1	ZINC001588431962	983466860	/nfs/dbraw/zinc/46/68/60/983466860.db2.gz	SQRRGZOFEBSSTL-UHFFFAOYSA-N	-1	0	324.358	0.631	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC001588435097	983474645	/nfs/dbraw/zinc/47/46/45/983474645.db2.gz	COGQPMLFHDLIAV-PGJNLMOESA-N	-1	0	323.370	0.837	20	30		DCEDRM
C#CCCCC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC001588435267	983475452	/nfs/dbraw/zinc/47/54/52/983475452.db2.gz	IVPIBEIGWVYJOT-UHFFFAOYSA-N	-1	0	302.334	0.627	20	30		DCEDRM
C#CCCCC(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001588435265	983475460	/nfs/dbraw/zinc/47/54/60/983475460.db2.gz	IVBXFUWJJSCWII-RYUDHWBXSA-N	-1	0	306.362	0.666	20	30		DCEDRM
C#CCCN1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001588453790	983477389	/nfs/dbraw/zinc/47/73/89/983477389.db2.gz	UIKQXRBWBVJKKP-OLZOCXBDSA-N	-1	0	314.407	0.210	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588464885	983495019	/nfs/dbraw/zinc/49/50/19/983495019.db2.gz	SACKOHOSLCDWIY-UHFFFAOYSA-N	-1	0	312.325	0.737	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1	ZINC001588479499	983520224	/nfs/dbraw/zinc/52/02/24/983520224.db2.gz	QAZSCFSJAIPRLK-UHFFFAOYSA-N	-1	0	315.329	0.381	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)c2cccc(C(=O)[O-])n2)CC1	ZINC001588479550	983520664	/nfs/dbraw/zinc/52/06/64/983520664.db2.gz	SMKRLJDLLGWONY-UHFFFAOYSA-N	-1	0	315.329	0.381	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@H](CC)Nc1ncc(C(=O)[O-])cn1	ZINC001588489939	983529807	/nfs/dbraw/zinc/52/98/07/983529807.db2.gz	DZBVFBHXRSZIPH-PWSUYJOCSA-N	-1	0	320.349	0.520	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC001588491603	983536967	/nfs/dbraw/zinc/53/69/67/983536967.db2.gz	QSAANFTVOKXLKQ-UHFFFAOYSA-N	-1	0	315.322	0.794	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC001588498054	983542930	/nfs/dbraw/zinc/54/29/30/983542930.db2.gz	SNEAZTJZJSZBTG-HNNXBMFYSA-N	-1	0	322.292	0.891	20	30		DCEDRM
C#Cc1cccc(CNC(=O)NCCC(=O)NCCC(=O)[O-])c1	ZINC001588522360	983571239	/nfs/dbraw/zinc/57/12/39/983571239.db2.gz	SIOFXLBHJYQIPN-UHFFFAOYSA-N	-1	0	317.345	0.448	20	30		DCEDRM
C=C(Br)CNC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588529427	983581374	/nfs/dbraw/zinc/58/13/74/983581374.db2.gz	YULBSUFULVTYNB-QMMMGPOBSA-N	-1	0	317.139	0.301	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC001596231680	983627189	/nfs/dbraw/zinc/62/71/89/983627189.db2.gz	RYZVNCDJGJZPOK-OUAUKWLOSA-N	-1	0	303.384	0.556	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCC(=O)OC)C1CCOCC1	ZINC001588612338	983702604	/nfs/dbraw/zinc/70/26/04/983702604.db2.gz	NLLLMSPSZRCVAO-UHFFFAOYSA-N	-1	0	313.350	0.978	20	30		DCEDRM
CCN(CCC#N)C(=O)CSC[C@H](NC(C)=O)C(=O)[O-]	ZINC001596299708	983725788	/nfs/dbraw/zinc/72/57/88/983725788.db2.gz	WZHLYOWBTBRSCZ-JTQLQIEISA-N	-1	0	301.368	0.071	20	30		DCEDRM
C=CC(C)(C)CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588673449	983830896	/nfs/dbraw/zinc/83/08/96/983830896.db2.gz	YKVBCPRFONVZFK-VXGBXAGGSA-N	-1	0	308.378	0.884	20	30		DCEDRM
C=C[C@@](C)(O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC001588682824	983845418	/nfs/dbraw/zinc/84/54/18/983845418.db2.gz	QUWLONWBKPMTFG-OAHLLOKOSA-N	-1	0	306.318	0.767	20	30		DCEDRM
C=C[C@@H](O)C(=O)N[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O	ZINC001588705173	983926020	/nfs/dbraw/zinc/92/60/20/983926020.db2.gz	KUOOFSCSDIAVMD-NWDGAFQWSA-N	-1	0	304.302	0.301	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@](OC)(C(=O)[O-])C2)n1CC(=C)C	ZINC001588706400	983930663	/nfs/dbraw/zinc/93/06/63/983930663.db2.gz	YWTHXHDLKDTEMR-XHDPSFHLSA-N	-1	0	322.365	0.754	20	30		DCEDRM
C=C[C@@H](OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)[O-]	ZINC001588711744	983939106	/nfs/dbraw/zinc/93/91/06/983939106.db2.gz	QXWLEMSQTCQDMH-NXEZZACHSA-N	-1	0	315.322	0.805	20	30		DCEDRM
C=CC[C@@H](C(=O)[O-])N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1	ZINC001588732257	984017432	/nfs/dbraw/zinc/01/74/32/984017432.db2.gz	XTGZLQDFWKJIAZ-CIUDSAMLSA-N	-1	0	315.313	0.923	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001588743849	984039917	/nfs/dbraw/zinc/03/99/17/984039917.db2.gz	DJOHJGAYCVVTDA-VIFPVBQESA-N	-1	0	303.311	0.739	20	30		DCEDRM
C=CCCC(=O)N1C[C@H](Nc2ccnc(C(=O)[O-])n2)[C@@H](C)C1	ZINC001588774012	984150379	/nfs/dbraw/zinc/15/03/79/984150379.db2.gz	OSCNVOMWDVYXDU-QWRGUYRKSA-N	-1	0	304.350	0.822	20	30		DCEDRM
C=CCCCC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588782173	984170581	/nfs/dbraw/zinc/17/05/81/984170581.db2.gz	RNGSQFNVVBIBSY-VXGBXAGGSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C(=O)[O-]	ZINC001588787777	984188603	/nfs/dbraw/zinc/18/86/03/984188603.db2.gz	YDCPWGIUAPNVHK-MNOVXSKESA-N	-1	0	320.411	0.486	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)CNC(=O)c1ccncc1)C(=O)[O-]	ZINC001588788695	984192319	/nfs/dbraw/zinc/19/23/19/984192319.db2.gz	KOJHZJVRCDJELU-GFCCVEGCSA-N	-1	0	305.334	0.737	20	30		DCEDRM
C=CCCCN(CC)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588801348	984245623	/nfs/dbraw/zinc/24/56/23/984245623.db2.gz	KCOYMFLUEVIKCF-UHFFFAOYSA-N	-1	0	308.338	0.872	20	30		DCEDRM
C=CCCn1cc(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)nn1	ZINC001588817216	984275399	/nfs/dbraw/zinc/27/53/99/984275399.db2.gz	FNPDESKZYGRQGQ-QWRGUYRKSA-N	-1	0	308.338	0.321	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1	ZINC001588822371	984289355	/nfs/dbraw/zinc/28/93/55/984289355.db2.gz	IZGKUFUEFSPXBS-UHFFFAOYSA-N	-1	0	302.330	0.914	20	30		DCEDRM
C=CCN(CC(=O)OCC)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC001588824085	984296092	/nfs/dbraw/zinc/29/60/92/984296092.db2.gz	QMHIFUYAGWSRHR-UHFFFAOYSA-N	-1	0	312.366	0.361	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC001588828576	984306950	/nfs/dbraw/zinc/30/69/50/984306950.db2.gz	BJCIPECDCCMFPB-HNNXBMFYSA-N	-1	0	312.366	0.361	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C[C@@H](C)CC(=O)[O-]	ZINC001588843820	984354608	/nfs/dbraw/zinc/35/46/08/984354608.db2.gz	HRUOMLPDXQJGKH-IUCAKERBSA-N	-1	0	300.311	0.431	20	30		DCEDRM
C=CCOCC(=O)N1C[C@H](C)[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588849951	984376689	/nfs/dbraw/zinc/37/66/89/984376689.db2.gz	QFKFRZPOAGFXRR-WDEREUQCSA-N	-1	0	320.349	0.058	20	30		DCEDRM
C=CCOCC(=O)N1C[C@H](Nc2ccnc(C(=O)[O-])n2)[C@@H](C)C1	ZINC001588849950	984376958	/nfs/dbraw/zinc/37/69/58/984376958.db2.gz	QFKFRZPOAGFXRR-QWRGUYRKSA-N	-1	0	320.349	0.058	20	30		DCEDRM
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC001588850055	984378797	/nfs/dbraw/zinc/37/87/97/984378797.db2.gz	VLVKNGGICCREAJ-NEPJUHHUSA-N	-1	0	312.366	0.536	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)Sc1nncn1C)C(=O)[O-]	ZINC001588850868	984380606	/nfs/dbraw/zinc/38/06/06/984380606.db2.gz	IIDJGWZLOTUVTO-IUCAKERBSA-N	-1	0	314.367	0.068	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C(C)(C)S(=O)(=O)C1CC1)C(=O)[O-]	ZINC001588850934	984381174	/nfs/dbraw/zinc/38/11/74/984381174.db2.gz	KSYYQZPBNNDOHC-JTQLQIEISA-N	-1	0	319.379	0.114	20	30		DCEDRM
C=CCOC[C@H](NC(=O)/C=C\CN(C)CC(F)(F)F)C(=O)[O-]	ZINC001588854196	984388723	/nfs/dbraw/zinc/38/87/23/984388723.db2.gz	QQQQGMMJWXXWLH-LWTINBJPSA-N	-1	0	324.299	0.809	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1c(C)noc1Cl)C(=O)[O-]	ZINC001588856550	984400873	/nfs/dbraw/zinc/40/08/73/984400873.db2.gz	MEEAFMGLOWSLGI-VIFPVBQESA-N	-1	0	302.714	0.951	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(C)nc2cc(C)nn21)C(=O)[O-]	ZINC001588859158	984403828	/nfs/dbraw/zinc/40/38/28/984403828.db2.gz	BHUAQTNKTBFXDQ-NSHDSACASA-N	-1	0	318.333	0.732	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC001588866826	984428309	/nfs/dbraw/zinc/42/83/09/984428309.db2.gz	RESYSVDYQAOAOH-LLVKDONJSA-N	-1	0	310.331	0.492	20	30		DCEDRM
C=CCOc1cc(OC)ccc1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC001588869529	984439222	/nfs/dbraw/zinc/43/92/22/984439222.db2.gz	JAYPRTFYYZESRP-RNCFNFMXSA-N	-1	0	309.318	0.824	20	30		DCEDRM
C=CCn1c(-c2cc[nH]n2)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588889730	984481231	/nfs/dbraw/zinc/48/12/31/984481231.db2.gz	BNTPEVSOFVCQRQ-CQSZACIVSA-N	-1	0	318.337	0.534	20	30		DCEDRM
C=CCn1c(-c2ncon2)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588891424	984487425	/nfs/dbraw/zinc/48/74/25/984487425.db2.gz	KDOIPNXHIGWRLC-GFCCVEGCSA-N	-1	0	308.273	0.517	20	30		DCEDRM
C=CCn1c(-c2ncnn2C)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588891450	984488069	/nfs/dbraw/zinc/48/80/69/984488069.db2.gz	KVHMQLOMSBCOPN-AWEZNQCLSA-N	-1	0	317.353	0.561	20	30		DCEDRM
C=CCn1c(-c2nc(C)no2)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588891925	984490623	/nfs/dbraw/zinc/49/06/23/984490623.db2.gz	XEYQHTOKBVRGQR-CYBMUJFWSA-N	-1	0	322.300	0.826	20	30		DCEDRM
C=CCn1c([C@@H](O)C=C)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588895984	984497999	/nfs/dbraw/zinc/49/79/99/984497999.db2.gz	PEUJHXNMGAHQBP-IINYFYTJSA-N	-1	0	308.338	0.363	20	30		DCEDRM
C=CCn1c([C@@H]2CC=NO2)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588897665	984512342	/nfs/dbraw/zinc/51/23/42/984512342.db2.gz	SVIZCKAJDVIVOA-QWRGUYRKSA-N	-1	0	321.337	0.591	20	30		DCEDRM
C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588900904	984522435	/nfs/dbraw/zinc/52/24/35/984522435.db2.gz	OUSNZDVXQINHDX-LLVKDONJSA-N	-1	0	316.365	0.997	20	30		DCEDRM
C=CCn1cc(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)nn1	ZINC001588909395	984544309	/nfs/dbraw/zinc/54/43/09/984544309.db2.gz	SDWXTGVPGDMSFF-LLVKDONJSA-N	-1	0	322.321	0.087	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588917889	984567995	/nfs/dbraw/zinc/56/79/95/984567995.db2.gz	HATIJOKSEVGHIL-ASHKBJFXSA-N	-1	0	321.381	0.811	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001588919516	984572793	/nfs/dbraw/zinc/57/27/93/984572793.db2.gz	NXOKBWYFDQEBRW-SSDOTTSWSA-N	-1	0	316.291	0.118	20	30		DCEDRM
CC#CCCCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588925179	984585962	/nfs/dbraw/zinc/58/59/62/984585962.db2.gz	MHAFPKKZBAQRBW-QWHCGFSZSA-N	-1	0	306.362	0.572	20	30		DCEDRM
CC#CCn1nnnc1N(C)Cc1ccc(OCC(=O)[O-])cc1	ZINC001588932270	984607120	/nfs/dbraw/zinc/60/71/20/984607120.db2.gz	OTGDUWKMFMGSFO-UHFFFAOYSA-N	-1	0	315.333	0.796	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599912294	985001895	/nfs/dbraw/zinc/00/18/95/985001895.db2.gz	UBFYLVDAPHKJHD-CABZTGNLSA-N	-1	0	317.301	0.197	20	30		DCEDRM
C#C[C@H]1CCCN(c2nnc(-c3nn[nH]n3)n2CC(C)C)C1	ZINC001525032872	1015092124	/nfs/dbraw/zinc/09/21/24/1015092124.db2.gz	HBZNYSRUENCZDU-NSHDSACASA-N	-1	0	300.370	0.964	20	30		DCEDRM
C[C@H]1CN(C[C@H](O)COc2ccccc2C#N)C[C@@H](C(=O)[O-])O1	ZINC001599927359	985225016	/nfs/dbraw/zinc/22/50/16/985225016.db2.gz	JBOBZERXZPGQRX-WHOFXGATSA-N	-1	0	320.345	0.472	20	30		DCEDRM
C[C@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CCN1S(C)(=O)=O	ZINC001599932401	985338629	/nfs/dbraw/zinc/33/86/29/985338629.db2.gz	RZANRRWXMQAAGC-VIFPVBQESA-N	-1	0	324.362	0.122	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)[C@@H]1C	ZINC001589328495	986156676	/nfs/dbraw/zinc/15/66/76/986156676.db2.gz	BCODABOOPOVCQN-NGZCFLSTSA-N	-1	0	303.322	0.418	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1CN(c2ccnc(C(=O)[O-])n2)CC1(C)C	ZINC001589328322	986156874	/nfs/dbraw/zinc/15/68/74/986156874.db2.gz	ADYXOMYSCLSTTP-ZJUUUORDSA-N	-1	0	317.349	0.665	20	30		DCEDRM
C#CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-]	ZINC001526162614	1015220102	/nfs/dbraw/zinc/22/01/02/1015220102.db2.gz	VRESEHVWUBAFNK-PJXYFTJBSA-N	-1	0	316.361	0.414	20	30		DCEDRM
C[C@@H]1OC(=O)N[C@@H]1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001594630691	986722291	/nfs/dbraw/zinc/72/22/91/986722291.db2.gz	BGCSCZQMMWDZHO-SWPVVBRQSA-N	-1	0	304.258	0.724	20	30		DCEDRM
C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001589439889	986780480	/nfs/dbraw/zinc/78/04/80/986780480.db2.gz	OIWRVRDEVOPGFO-SCDSUCTJSA-N	-1	0	317.345	0.653	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001589557419	987306738	/nfs/dbraw/zinc/30/67/38/987306738.db2.gz	CNZPXFRSRDHION-UWVGGRQHSA-N	-1	0	304.368	0.193	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC(OC(=O)N(CC#N)CC(=O)[O-])C1	ZINC001589940141	988711539	/nfs/dbraw/zinc/71/15/39/988711539.db2.gz	KOFMWKRRSXFFMP-UHFFFAOYSA-N	-1	0	313.310	0.652	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(C#N)CC2)C[C@H]1CC(=O)[O-]	ZINC001599849138	988984569	/nfs/dbraw/zinc/98/45/69/988984569.db2.gz	GUQJBRCJGRLMTA-VXGBXAGGSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C[C@@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001599849214	988985561	/nfs/dbraw/zinc/98/55/61/988985561.db2.gz	LYWYPMLCXAFFLR-MWLCHTKSSA-N	-1	0	324.358	0.790	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC(CC#N)CC2)C[C@H]1C(=O)[O-]	ZINC001599849783	988993489	/nfs/dbraw/zinc/99/34/89/988993489.db2.gz	SWCGGSTWXDHAHT-ZYHUDNBSSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)CC(C)(C)CC#N)C[C@@H](C(=O)[O-])O1	ZINC001599867601	989295957	/nfs/dbraw/zinc/29/59/57/989295957.db2.gz	CXKNDHSAKLDZID-ZJUUUORDSA-N	-1	0	304.368	0.430	20	30		DCEDRM
CC(C)(C)OC(=O)NC1(CC(=O)N(CC#N)CC(=O)[O-])CC1	ZINC001590127005	989367433	/nfs/dbraw/zinc/36/74/33/989367433.db2.gz	BZSPWWWLZZZRQN-UHFFFAOYSA-N	-1	0	311.338	0.871	20	30		DCEDRM
CCN(C(=O)[C@H](C)C#N)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001390166652	989884361	/nfs/dbraw/zinc/88/43/61/989884361.db2.gz	ZVMXOEYEUUDTBP-KOLCDFICSA-N	-1	0	319.365	0.646	20	30		DCEDRM
CN(C)C(=O)[C@H]1CC[C@H](CNc2ccc(C(=O)[O-])nc2C#N)O1	ZINC001598120269	990541182	/nfs/dbraw/zinc/54/11/82/990541182.db2.gz	XLTZGLQLPAVJOD-NOZJJQNGSA-N	-1	0	318.333	0.699	20	30		DCEDRM
CN(C)[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cncn1C	ZINC001598163450	990670515	/nfs/dbraw/zinc/67/05/15/990670515.db2.gz	UEYUPLLPZKPGTI-GFCCVEGCSA-N	-1	0	319.365	0.240	20	30		DCEDRM
CC(C)(NC(=O)C(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC001590835928	990693590	/nfs/dbraw/zinc/69/35/90/990693590.db2.gz	DLBITCZAZCTVEX-UHFFFAOYSA-N	-1	0	305.290	0.507	20	30		DCEDRM
CC(C)(NS(=O)(=O)c1ccsc1C#N)[C@@H](O)C(=O)[O-]	ZINC001590880710	990797472	/nfs/dbraw/zinc/79/74/72/990797472.db2.gz	FXWMZMUYIYCPAZ-QMMMGPOBSA-N	-1	0	304.349	0.122	20	30		DCEDRM
CC(C)[C@H](NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C(=O)[O-]	ZINC001591001636	991258538	/nfs/dbraw/zinc/25/85/38/991258538.db2.gz	UJNNEZMKRHRNKI-UONOGXRCSA-N	-1	0	301.346	0.970	20	30		DCEDRM
CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001598364479	991507433	/nfs/dbraw/zinc/50/74/33/991507433.db2.gz	LDXXNOWZYMUYTO-CYBMUJFWSA-N	-1	0	310.331	0.688	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC001598469229	991998959	/nfs/dbraw/zinc/99/89/59/991998959.db2.gz	WACACWBMJGCEDX-UHFFFAOYSA-N	-1	0	311.363	0.494	20	30		DCEDRM
CC(C)N(CCCNC(=O)C#CC1CC1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001591591430	992808476	/nfs/dbraw/zinc/80/84/76/992808476.db2.gz	VPKYQHBCXXDRQA-KBPBESRZSA-N	-1	0	320.389	0.864	20	30		DCEDRM
CN1C(=O)CC[C@@H]1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001598550386	992996876	/nfs/dbraw/zinc/99/68/76/992996876.db2.gz	CEMDAJHQHHOJRB-DGCLKSJQSA-N	-1	0	302.286	0.848	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccccc1	ZINC001400076532	994136422	/nfs/dbraw/zinc/13/64/22/994136422.db2.gz	BHMLGMGZMXPMED-ZYHUDNBSSA-N	-1	0	314.349	0.617	20	30		DCEDRM
CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@@H]1C#N	ZINC001598647521	994395280	/nfs/dbraw/zinc/39/52/80/994395280.db2.gz	LSHFYEWRFWVPRZ-NXEZZACHSA-N	-1	0	317.301	0.608	20	30		DCEDRM
N#CC1CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1	ZINC001464562996	1015923481	/nfs/dbraw/zinc/92/34/81/1015923481.db2.gz	RRKGHLZUBWIFBD-UHFFFAOYSA-N	-1	0	313.317	0.642	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001396407872	995372623	/nfs/dbraw/zinc/37/26/23/995372623.db2.gz	YMARRRWYDYWVNO-QXFUBDJGSA-N	-1	0	305.338	0.160	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cc(C#N)oc1C	ZINC001598744426	995579059	/nfs/dbraw/zinc/57/90/59/995579059.db2.gz	GZQAIQXPGIXVQL-CABZTGNLSA-N	-1	0	320.301	0.938	20	30		DCEDRM
C[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)NCC(=O)[O-]	ZINC001593547189	995622471	/nfs/dbraw/zinc/62/24/71/995622471.db2.gz	KDHBJZICQXHEOP-TVYUQYBPSA-N	-1	0	316.313	0.794	20	30		DCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001593641379	995951850	/nfs/dbraw/zinc/95/18/50/995951850.db2.gz	IJOMEJWGLTWPHE-JKOKRWQUSA-N	-1	0	318.329	0.762	20	30		DCEDRM
C[C@@]1(C#N)CN(CN2Cc3ccc(C(=O)[O-])cc3C2=O)CCO1	ZINC001593743506	996368887	/nfs/dbraw/zinc/36/88/87/996368887.db2.gz	REDSRFSSMVBOKL-MRXNPFEDSA-N	-1	0	315.329	0.913	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2nc3ccccn3c2C#N)C[C@@H]1C(=O)[O-]	ZINC001598827377	996397397	/nfs/dbraw/zinc/39/73/97/996397397.db2.gz	MYWDWCJHNXYRBX-VHSXEESVSA-N	-1	0	314.301	0.516	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1	ZINC001593761912	996425773	/nfs/dbraw/zinc/42/57/73/996425773.db2.gz	FWIVSJOHWKZMRR-NHYWBVRUSA-N	-1	0	307.350	0.462	20	30		DCEDRM
COC(=O)C[C@H](NC(=O)/C=C/C(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC001598836689	996491089	/nfs/dbraw/zinc/49/10/89/996491089.db2.gz	GMSCODYIRNVUHV-GUOLPTJISA-N	-1	0	319.313	0.866	20	30		DCEDRM
COC(=O)CC[C@@H](NC(=O)c1ncc(C#N)cc1C)C(=O)[O-]	ZINC001598857487	996649813	/nfs/dbraw/zinc/64/98/13/996649813.db2.gz	VKTBHSLCBIFOSF-SNVBAGLBSA-N	-1	0	305.290	0.398	20	30		DCEDRM
C=C(Cl)CN(CCC)CCNC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001404188962	996792863	/nfs/dbraw/zinc/79/28/63/996792863.db2.gz	QAPMIZNLUMNQFT-UHFFFAOYSA-N	-1	0	317.777	0.270	20	30		DCEDRM
COC12CCC(C(=O)N(CC#N)CCC(=O)[O-])(CC1)C(=O)C2	ZINC001599092831	997223502	/nfs/dbraw/zinc/22/35/02/997223502.db2.gz	GZBVEIRLRQPDQB-UHFFFAOYSA-N	-1	0	308.334	0.732	20	30		DCEDRM
C=C(CO)C(=O)N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1	ZINC001466725067	1016105593	/nfs/dbraw/zinc/10/55/93/1016105593.db2.gz	PWMXLQDZGSALIL-JTQLQIEISA-N	-1	0	311.704	0.746	20	30		DCEDRM
C[C@@H]1C[C@@H](CCNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001466826823	1016114974	/nfs/dbraw/zinc/11/49/74/1016114974.db2.gz	DDUKUZIGKIVICF-MNOVXSKESA-N	-1	0	320.349	0.142	20	30		DCEDRM
COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)NCC#N	ZINC001598916165	997470148	/nfs/dbraw/zinc/47/01/48/997470148.db2.gz	QRANORICGGSRNE-UHFFFAOYSA-N	-1	0	318.332	0.343	20	30		DCEDRM
COc1ccc(C(N)=NOCC(=O)N[C@H](C(=O)[O-])C(C)C)cc1	ZINC001599521046	997480315	/nfs/dbraw/zinc/48/03/15/997480315.db2.gz	QUFMSFVZGOGZPG-ZDUSSCGKSA-N	-1	0	323.349	0.558	20	30		DCEDRM
N#C[C@@]1(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)CCCOC1	ZINC001467398966	1016163057	/nfs/dbraw/zinc/16/30/57/1016163057.db2.gz	NXDONLSWYRNWIZ-YGRLFVJLSA-N	-1	0	306.322	0.802	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001599235589	997939298	/nfs/dbraw/zinc/93/92/98/997939298.db2.gz	FFBSJOZVRVZAOG-RYUDHWBXSA-N	-1	0	318.395	0.822	20	30		DCEDRM
CO[C@H]1CN(C(=O)c2cnn(CCC#N)c2C)[C@](C)(C(=O)[O-])C1	ZINC001599133133	997987761	/nfs/dbraw/zinc/98/77/61/997987761.db2.gz	KSSWNXZXLSWOHK-ABAIWWIYSA-N	-1	0	320.349	0.809	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1c1ccc(S(N)(=O)=O)cc1C#N	ZINC001594170766	998656069	/nfs/dbraw/zinc/65/60/69/998656069.db2.gz	KNWZRKMPEVDNRE-GZMMTYOYSA-N	-1	0	309.347	0.505	20	30		DCEDRM
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C(=O)O1	ZINC001594265082	999025134	/nfs/dbraw/zinc/02/51/34/999025134.db2.gz	ZDTVVWSKWXYCPH-OIBJUYFYSA-N	-1	0	324.314	0.239	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1CC1	ZINC001599054860	999222285	/nfs/dbraw/zinc/22/22/85/999222285.db2.gz	BMTOQQZHBMQRPM-LBPRGKRZSA-N	-1	0	324.358	0.960	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)NCC#Cc2ccccc2)C1	ZINC001599071390	999335372	/nfs/dbraw/zinc/33/53/72/999335372.db2.gz	DPIRDASXJYSVFO-MRXNPFEDSA-N	-1	0	302.330	0.923	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001419042223	1000714075	/nfs/dbraw/zinc/71/40/75/1000714075.db2.gz	IXCJTSMMULXWLD-ZYHUDNBSSA-N	-1	0	312.333	0.855	20	30		DCEDRM
C=C(Cl)CN(C)C[C@H](C)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001401792156	1000731535	/nfs/dbraw/zinc/73/15/35/1000731535.db2.gz	JGPSSRQXKDVZNJ-JTQLQIEISA-N	-1	0	323.784	0.825	20	30		DCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCC[C@@H]1C#N	ZINC001471050320	1016514743	/nfs/dbraw/zinc/51/47/43/1016514743.db2.gz	LHWAZACJCXUMHX-PWSUYJOCSA-N	-1	0	315.333	0.361	20	30		DCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001471536056	1016598807	/nfs/dbraw/zinc/59/88/07/1016598807.db2.gz	PGGOZFMJWKAOMG-NSHDSACASA-N	-1	0	302.338	0.132	20	30		DCEDRM
N#Cc1cccc(CC(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1	ZINC001472252682	1016770742	/nfs/dbraw/zinc/77/07/42/1016770742.db2.gz	AJFAFYIDUMAJQK-AWEZNQCLSA-N	-1	0	323.356	0.991	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)[C@]2(C#N)CC3CCC2CC3)n[n-]1	ZINC001472498350	1016812746	/nfs/dbraw/zinc/81/27/46/1016812746.db2.gz	NWUIYUWEWYCDDD-RPTIHFLNSA-N	-1	0	323.378	0.867	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[nH]1	ZINC001505983275	1016819795	/nfs/dbraw/zinc/81/97/95/1016819795.db2.gz	ADVWXNJAXAOBAG-NEPJUHHUSA-N	-1	0	309.414	0.647	20	30		DCEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H](C)CNC(=O)[C@H](C)C#N	ZINC001428685816	1004111656	/nfs/dbraw/zinc/11/16/56/1004111656.db2.gz	WCKARHLHWKWZCO-RKDXNWHRSA-N	-1	0	307.354	0.550	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)c1[O-]	ZINC001427126513	1004221548	/nfs/dbraw/zinc/22/15/48/1004221548.db2.gz	BOYMHZJAWUEQJH-WCBMZHEXSA-N	-1	0	319.365	0.550	20	30		DCEDRM
C[C@@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@@H](C(N)=O)C1	ZINC001473408927	1016924392	/nfs/dbraw/zinc/92/43/92/1016924392.db2.gz	JFVUHOSQKWMCCL-BXKDBHETSA-N	-1	0	314.349	0.392	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001417621839	1005853330	/nfs/dbraw/zinc/85/33/30/1005853330.db2.gz	TXDCTCDIUPYMJG-UHFFFAOYSA-N	-1	0	317.305	0.988	20	30		DCEDRM
CO[C@@]1(C)CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001417770559	1005887406	/nfs/dbraw/zinc/88/74/06/1005887406.db2.gz	GDOYPTWYKQKPFY-HNNXBMFYSA-N	-1	0	320.349	0.238	20	30		DCEDRM
CC(C)c1coc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001417872343	1005910623	/nfs/dbraw/zinc/91/06/23/1005910623.db2.gz	JRXBLWYHSDBARZ-UHFFFAOYSA-N	-1	0	317.305	0.961	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c(=O)[n-]c1=O	ZINC001434811983	1005999066	/nfs/dbraw/zinc/99/90/66/1005999066.db2.gz	MLUVUQPAEVDVPS-USWWRNFRSA-N	-1	0	317.349	0.308	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@@H]2CCCC23CC3)c(=O)[n-]c1=O	ZINC001434820204	1006011201	/nfs/dbraw/zinc/01/12/01/1006011201.db2.gz	NTJSGUWQWSJQEE-LLVKDONJSA-N	-1	0	317.349	0.452	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@](O)(CC#N)C2)cc1C#N	ZINC001418179038	1006134496	/nfs/dbraw/zinc/13/44/96/1006134496.db2.gz	HQQJMHCHPMQWKD-CQSZACIVSA-N	-1	0	318.358	0.871	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H](F)c2ccccc2)c(=O)[n-]c1=O	ZINC001453839800	1008752468	/nfs/dbraw/zinc/75/24/68/1008752468.db2.gz	CWJWAUZXFFYHBN-LBPRGKRZSA-N	-1	0	316.292	0.648	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NCc2ccc(C#N)cn2)cc1=O	ZINC001433496748	1008855267	/nfs/dbraw/zinc/85/52/67/1008855267.db2.gz	VDPQMQOXZRXVPB-UHFFFAOYSA-N	-1	0	313.361	0.958	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCCNC(=O)[C@@H]2C)cc1C#N	ZINC001433571803	1008953403	/nfs/dbraw/zinc/95/34/03/1008953403.db2.gz	MKJDMLACFYGZNU-QMMMGPOBSA-N	-1	0	320.374	0.731	20	30		DCEDRM
CS[C@@H]1CCC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001433705605	1009100287	/nfs/dbraw/zinc/10/02/87/1009100287.db2.gz	VWWHSGIXRZFQBL-WDEREUQCSA-N	-1	0	322.390	0.611	20	30		DCEDRM
COC1(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)CCOCC1	ZINC001433834714	1009232844	/nfs/dbraw/zinc/23/28/44/1009232844.db2.gz	FGEUUQYNNZGZAX-UHFFFAOYSA-N	-1	0	305.334	0.893	20	30		DCEDRM
CC(C)[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)O	ZINC001433911741	1009339443	/nfs/dbraw/zinc/33/94/43/1009339443.db2.gz	ZDOUIDMDDKWEGD-LBPRGKRZSA-N	-1	0	322.365	0.122	20	30		DCEDRM
CCC(CC)(CO)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001434416965	1009928295	/nfs/dbraw/zinc/92/82/95/1009928295.db2.gz	BIWXDRHYAKKLCV-UHFFFAOYSA-N	-1	0	320.349	0.003	20	30		DCEDRM
COC[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1nnn[n-]1	ZINC001455729920	1009935430	/nfs/dbraw/zinc/93/54/30/1009935430.db2.gz	OTOWYOOWEAYTMV-STQMWFEESA-N	-1	0	314.349	0.776	20	30		DCEDRM
Cc1cc(N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)ncc1C#N	ZINC001434449557	1009967227	/nfs/dbraw/zinc/96/72/27/1009967227.db2.gz	VVKOMXNNVKJEPH-UHFFFAOYSA-N	-1	0	308.301	0.457	20	30		DCEDRM
N#CCNC(=O)C[N-]S(=O)(=O)c1onc(C2CC2)c1Cl	ZINC001475275976	1017082703	/nfs/dbraw/zinc/08/27/03/1017082703.db2.gz	WQXHDGDEAWSKOV-UHFFFAOYSA-N	-1	0	318.742	0.123	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](CCO)c2cccs2)c(C#N)c1=O	ZINC001458191278	1012103374	/nfs/dbraw/zinc/10/33/74/1012103374.db2.gz	TVSCZHGIOBDAMV-SECBINFHSA-N	-1	0	306.347	0.542	20	30		DCEDRM
CCc1nn(C)c(CC)c1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001458262274	1012120807	/nfs/dbraw/zinc/12/08/07/1012120807.db2.gz	NADSTUULZOVXDK-UHFFFAOYSA-N	-1	0	316.365	0.416	20	30		DCEDRM
CC#CCCCC(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001536481661	1012143355	/nfs/dbraw/zinc/14/33/55/1012143355.db2.gz	XPRQRJANTUZMAG-UHFFFAOYSA-N	-1	0	318.377	0.900	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)NC1(c2ccc(C#N)cc2)CCC1	ZINC001565420796	1012550038	/nfs/dbraw/zinc/55/00/38/1012550038.db2.gz	MEXAJULOSTYECE-UHFFFAOYSA-N	-1	0	302.334	0.914	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)c1nc[n-]c(=O)c1Br	ZINC001545508728	1012561638	/nfs/dbraw/zinc/56/16/38/1012561638.db2.gz	MDHKXRJNMPZBNK-JTQLQIEISA-N	-1	0	315.127	0.603	20	30		DCEDRM
CCn1[n-]nnc1=NC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC001476595131	1017205922	/nfs/dbraw/zinc/20/59/22/1017205922.db2.gz	NDQOCIZMWLZGKK-UHFFFAOYSA-N	-1	0	313.321	0.282	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1	ZINC001610620672	1171270871	/nfs/dbraw/zinc/27/08/71/1171270871.db2.gz	KZZBHKMNQFRLSM-MDZLAQPJSA-N	-1	0	316.379	0.310	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000328432276	291259018	/nfs/dbraw/zinc/25/90/18/291259018.db2.gz	OVBSHZQGVCGXJQ-NSHDSACASA-N	-1	0	320.330	0.256	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c1C#N	ZINC000422693302	240179324	/nfs/dbraw/zinc/17/93/24/240179324.db2.gz	VQCUJEPRWLDBFQ-JTQLQIEISA-N	-1	0	303.318	0.984	20	30		DCEDRM
C=CCC[C@H](NC(=O)/C=C/c1cncc(C(=O)NC)c1)C(=O)[O-]	ZINC000493778072	241154484	/nfs/dbraw/zinc/15/44/84/241154484.db2.gz	BMDYTMARZBEJGU-YBJDMEARSA-N	-1	0	317.345	0.990	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(NC(=O)OC(C)(C)C)cn1	ZINC000496837607	241263397	/nfs/dbraw/zinc/26/33/97/241263397.db2.gz	LVCFGWMCCRHMIN-MRVPVSSYSA-N	-1	0	319.321	0.892	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-]	ZINC000275315033	212267093	/nfs/dbraw/zinc/26/70/93/212267093.db2.gz	WYXWKRVXOPXDOC-MRVPVSSYSA-N	-1	0	309.294	0.456	20	30		DCEDRM
C[C@@H]1Cc2ccccc2N1C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000567859915	291385213	/nfs/dbraw/zinc/38/52/13/291385213.db2.gz	TZMMTZUGKRDTPR-SNVBAGLBSA-N	-1	0	310.313	0.386	20	30		DCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])c1c(C)nn(C)c1C	ZINC000275154799	212156112	/nfs/dbraw/zinc/15/61/12/212156112.db2.gz	ZFBRGMKDXSBMAC-NSHDSACASA-N	-1	0	301.368	0.658	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-]	ZINC000275084171	212111933	/nfs/dbraw/zinc/11/19/33/212111933.db2.gz	ZHNPOKOBAZXPTI-SSDOTTSWSA-N	-1	0	305.743	0.218	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCSCC(=O)[O-])cn1	ZINC000274952578	212039767	/nfs/dbraw/zinc/03/97/67/212039767.db2.gz	GNQNHZFCQPQLCV-UHFFFAOYSA-N	-1	0	301.349	0.049	20	30		DCEDRM
CCCc1nc(=NC(=O)NCCn2cnc(C#N)n2)s[n-]1	ZINC000350905467	254329716	/nfs/dbraw/zinc/32/97/16/254329716.db2.gz	XHQLOQZPHZKASG-UHFFFAOYSA-N	-1	0	306.355	0.197	20	30		DCEDRM
N#Cc1nc(NC(=O)Cn2c(=O)cnc3ccccc32)[n-]c1C#N	ZINC000026274482	395694219	/nfs/dbraw/zinc/69/42/19/395694219.db2.gz	AJOCCOMYNVNGKF-UHFFFAOYSA-N	-1	0	319.284	0.502	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1cccc(C)c1C#N	ZINC000270533032	395780698	/nfs/dbraw/zinc/78/06/98/395780698.db2.gz	VLMUVBFULCJVOM-UHFFFAOYSA-N	-1	0	312.347	0.588	20	30		DCEDRM
COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cn1	ZINC000054040720	395892498	/nfs/dbraw/zinc/89/24/98/395892498.db2.gz	OAGMBQXJGWSWAY-UHFFFAOYSA-N	-1	0	320.330	0.729	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])ccc1F	ZINC000071238422	396110748	/nfs/dbraw/zinc/11/07/48/396110748.db2.gz	ASXGONUDORYCLN-SNVBAGLBSA-N	-1	0	316.335	0.846	20	30		DCEDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000263483879	396218182	/nfs/dbraw/zinc/21/81/82/396218182.db2.gz	GXXPFIPGMCHQDO-NXEZZACHSA-N	-1	0	309.347	0.827	20	30		DCEDRM
COCCN(CC(=O)[O-])C(=O)NCCc1ccc(C#N)cc1	ZINC000594688161	396497525	/nfs/dbraw/zinc/49/75/25/396497525.db2.gz	WPUXONPDHCTULB-UHFFFAOYSA-N	-1	0	305.334	0.843	20	30		DCEDRM
C[C@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(=O)[O-]	ZINC000594528092	396483968	/nfs/dbraw/zinc/48/39/68/396483968.db2.gz	JUOXJTRDPXQODL-ZYHUDNBSSA-N	-1	0	318.333	0.837	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594530093	396484273	/nfs/dbraw/zinc/48/42/73/396484273.db2.gz	HFLAQEWVHBIJCF-GFCCVEGCSA-N	-1	0	303.318	0.970	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)C(=O)[O-]	ZINC000594531623	396485032	/nfs/dbraw/zinc/48/50/32/396485032.db2.gz	UKSWJPYHMJWTAN-SNVBAGLBSA-N	-1	0	304.306	0.365	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000594539671	396485540	/nfs/dbraw/zinc/48/55/40/396485540.db2.gz	QXRLWONNCVVNTJ-SNVBAGLBSA-N	-1	0	302.396	0.495	20	30		DCEDRM
Cc1cc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])ccc1C#N	ZINC000594573997	396487779	/nfs/dbraw/zinc/48/77/79/396487779.db2.gz	UKTYUNWPSYRTNE-LLVKDONJSA-N	-1	0	300.311	0.958	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])C1	ZINC000595238449	396568521	/nfs/dbraw/zinc/56/85/21/396568521.db2.gz	SKXNBPXQAXBTGD-DTWKUNHWSA-N	-1	0	302.290	0.527	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)C[C@H](C(=O)[O-])c2ccccc2)n1	ZINC000585818426	396661483	/nfs/dbraw/zinc/66/14/83/396661483.db2.gz	SHTZLWRZVQPYND-LBPRGKRZSA-N	-1	0	313.317	0.524	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C[C@@H]1C(=O)[O-]	ZINC000595990513	396704413	/nfs/dbraw/zinc/70/44/13/396704413.db2.gz	QCIYSJFKZNLSLH-JRPNMDOOSA-N	-1	0	307.350	0.318	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)c1	ZINC000589587180	396718326	/nfs/dbraw/zinc/71/83/26/396718326.db2.gz	GFVWBHXJFRVWFC-UHFFFAOYSA-N	-1	0	305.319	0.375	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC000600661480	396908269	/nfs/dbraw/zinc/90/82/69/396908269.db2.gz	YWETWOXFSOBLRC-HTQZYQBOSA-N	-1	0	311.310	0.117	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1	ZINC000591568506	396930784	/nfs/dbraw/zinc/93/07/84/396930784.db2.gz	QDLJEBBBZXGFGN-BFQNTYOBSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N2CCC(C)(C#N)CC2)CC[C@@H]1C(=O)[O-]	ZINC000600800992	396945235	/nfs/dbraw/zinc/94/52/35/396945235.db2.gz	PFUWXWIXJDNRFD-RYUDHWBXSA-N	-1	0	321.377	0.708	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1C[C@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000344554648	397004864	/nfs/dbraw/zinc/00/48/64/397004864.db2.gz	QTOZQALKAUYGJX-ZYHUDNBSSA-N	-1	0	301.368	0.263	20	30		DCEDRM
C[C@@H]1CCC[C@](C#N)(NS(=O)(=O)CCCS(N)(=O)=O)C1	ZINC000349446408	397073822	/nfs/dbraw/zinc/07/38/22/397073822.db2.gz	HSQJBEDSCWODPC-MNOVXSKESA-N	-1	0	323.440	0.057	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])c1	ZINC000619470853	397135248	/nfs/dbraw/zinc/13/52/48/397135248.db2.gz	BEAAFSSEZNLPNM-NSHDSACASA-N	-1	0	312.372	0.901	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c(F)c1	ZINC000619708825	397178949	/nfs/dbraw/zinc/17/89/49/397178949.db2.gz	YZMMILZUAQTMRV-LBPRGKRZSA-N	-1	0	314.294	0.219	20	30		DCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)nn1	ZINC000619622996	397162125	/nfs/dbraw/zinc/16/21/25/397162125.db2.gz	AYPIJZSPXXUFLL-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C=CCN(CCOC)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000626638783	397212394	/nfs/dbraw/zinc/21/23/94/397212394.db2.gz	SXDXLWVGHNMGOM-UHFFFAOYSA-N	-1	0	313.379	0.728	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCc3ccccc3C2)c(=O)[n-]c1=O	ZINC000602030068	397287359	/nfs/dbraw/zinc/28/73/59/397287359.db2.gz	IZXHYHOPFZIEKJ-UHFFFAOYSA-N	-1	0	324.340	0.796	20	30		DCEDRM
CCN(Cc1cccs1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602033787	397287451	/nfs/dbraw/zinc/28/74/51/397287451.db2.gz	KMPDDMWTVLHDBM-UHFFFAOYSA-N	-1	0	318.358	0.931	20	30		DCEDRM
CC1CCC(N(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602040764	397288928	/nfs/dbraw/zinc/28/89/28/397288928.db2.gz	QDULGYBPAHBWGA-UHFFFAOYSA-N	-1	0	304.350	0.858	20	30		DCEDRM
C[C@@H]1[C@H](C)SCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602103706	397300605	/nfs/dbraw/zinc/30/06/05/397300605.db2.gz	WZFOOBFGKKDSMG-ZJUUUORDSA-N	-1	0	322.390	0.563	20	30		DCEDRM
C[C@H]1SCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C	ZINC000602103703	397300662	/nfs/dbraw/zinc/30/06/62/397300662.db2.gz	WZFOOBFGKKDSMG-NXEZZACHSA-N	-1	0	322.390	0.563	20	30		DCEDRM
C[C@H]1SCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC000602103705	397300994	/nfs/dbraw/zinc/30/09/94/397300994.db2.gz	WZFOOBFGKKDSMG-VHSXEESVSA-N	-1	0	322.390	0.563	20	30		DCEDRM
CSC[C@H]1CCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602124687	397310086	/nfs/dbraw/zinc/31/00/86/397310086.db2.gz	WPGPWGISXONOTC-LLVKDONJSA-N	-1	0	322.390	0.565	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000577460738	397333111	/nfs/dbraw/zinc/33/31/11/397333111.db2.gz	QWXTYMLDTHAIFT-SECBINFHSA-N	-1	0	316.360	0.720	20	30		DCEDRM
CC1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602185178	397337363	/nfs/dbraw/zinc/33/73/63/397337363.db2.gz	MIURRVXSFNDCCD-CLYYMRHHSA-N	-1	0	302.334	0.610	20	30		DCEDRM
CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000593269405	397345155	/nfs/dbraw/zinc/34/51/55/397345155.db2.gz	GEVIVZGSJBQESI-MNOVXSKESA-N	-1	0	305.400	0.896	20	30		DCEDRM
N#Cc1ccncc1N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC000593325972	397351209	/nfs/dbraw/zinc/35/12/09/397351209.db2.gz	GCCVBNGUNNQJPG-LBPRGKRZSA-N	-1	0	314.345	0.855	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCCc1csc(C)n1)C(=O)[O-]	ZINC000577696749	397351607	/nfs/dbraw/zinc/35/16/07/397351607.db2.gz	SGUZRJFSJNVWHK-NSHDSACASA-N	-1	0	313.379	0.949	20	30		DCEDRM
CC1=C(C)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602143829	397319846	/nfs/dbraw/zinc/31/98/46/397319846.db2.gz	VARAMJUSFGYPNA-UHFFFAOYSA-N	-1	0	302.334	0.779	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCC(C3CC3)CC2)c(=O)[n-]c1=O	ZINC000602154430	397325358	/nfs/dbraw/zinc/32/53/58/397325358.db2.gz	SHEYYBJLBHFDQK-UHFFFAOYSA-N	-1	0	316.361	0.859	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1=O	ZINC000614394191	397431662	/nfs/dbraw/zinc/43/16/62/397431662.db2.gz	OVBUDWYEFYPHJW-SNVBAGLBSA-N	-1	0	316.317	0.787	20	30		DCEDRM
C=CCCn1cc(C(=O)NCC2(CC(=O)[O-])CCOCC2)nn1	ZINC000621596810	397402742	/nfs/dbraw/zinc/40/27/42/397402742.db2.gz	HMNRNZUWULKRDZ-UHFFFAOYSA-N	-1	0	322.365	0.856	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCCCc1nc(C)no1)C(=O)[O-]	ZINC000578302052	397417034	/nfs/dbraw/zinc/41/70/34/397417034.db2.gz	FMXPYJLVVGVNMZ-JTQLQIEISA-N	-1	0	312.326	0.266	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-]	ZINC000578320446	397419184	/nfs/dbraw/zinc/41/91/84/397419184.db2.gz	UTAIHEANYUALST-LLVKDONJSA-N	-1	0	316.335	0.024	20	30		DCEDRM
C=CCC[C@@H](NC(=O)CNC(=O)/C=C/c1cccnc1)C(=O)[O-]	ZINC000493284902	397526643	/nfs/dbraw/zinc/52/66/43/397526643.db2.gz	FKQHDLSJBRQYPJ-SBDDDAINSA-N	-1	0	317.345	0.747	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@](F)(C#N)C2)cn1	ZINC000599804330	397529242	/nfs/dbraw/zinc/52/92/42/397529242.db2.gz	RPQIJDQLAUVHNT-GFCCVEGCSA-N	-1	0	312.326	0.531	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])ccc1F	ZINC000088376581	158095028	/nfs/dbraw/zinc/09/50/28/158095028.db2.gz	FDBXYISNQJBBAA-NSHDSACASA-N	-1	0	314.294	0.171	20	30		DCEDRM
COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)cn1	ZINC000318536856	159006233	/nfs/dbraw/zinc/00/62/33/159006233.db2.gz	XXEGOEXDXDEVIO-UHFFFAOYSA-N	-1	0	321.318	0.124	20	30		DCEDRM
N#Cc1cccc(/C=C/C(=O)[N-]S(=O)(=O)c2cnccn2)c1	ZINC000152503845	287042091	/nfs/dbraw/zinc/04/20/91/287042091.db2.gz	PKYMWHXXWPDXDB-SNAWJCMRSA-N	-1	0	314.326	0.867	20	30		DCEDRM
COc1ccccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000042279201	415204316	/nfs/dbraw/zinc/20/43/16/415204316.db2.gz	PVJZCGNBGPSJGJ-UHFFFAOYSA-N	-1	0	300.336	0.731	20	30		DCEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1	ZINC000088475140	415518226	/nfs/dbraw/zinc/51/82/26/415518226.db2.gz	FGIMUECFGUWPDH-SECBINFHSA-N	-1	0	303.365	0.378	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000092463792	415541035	/nfs/dbraw/zinc/54/10/35/415541035.db2.gz	MDPVPDVZOLYAEW-UHFFFAOYSA-N	-1	0	311.319	0.118	20	30		DCEDRM
C#Cc1cc(F)c(NC(=O)C(=O)[N-]OCCCOC)c(F)c1	ZINC000288236473	415677325	/nfs/dbraw/zinc/67/73/25/415677325.db2.gz	NIGPDMVCTCTPPT-UHFFFAOYSA-N	-1	0	312.272	0.969	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC(=O)[N-]OC2CCCC2)cc1	ZINC000290298475	415789244	/nfs/dbraw/zinc/78/92/44/415789244.db2.gz	FYIHIUSIMYKXTE-UHFFFAOYSA-N	-1	0	323.374	0.827	20	30		DCEDRM
C=CCN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000261990491	416335959	/nfs/dbraw/zinc/33/59/59/416335959.db2.gz	CSSPDZUMAJTPCG-HBNTYKKESA-N	-1	0	301.364	0.299	20	30		DCEDRM
CN(CCCC(=O)[O-])C(=O)C(=O)N1CCC(CCC#N)CC1	ZINC000583500001	416468625	/nfs/dbraw/zinc/46/86/25/416468625.db2.gz	IHXOSPZTRONEFI-UHFFFAOYSA-N	-1	0	309.366	0.852	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1	ZINC000583945516	416489135	/nfs/dbraw/zinc/48/91/35/416489135.db2.gz	YMTQGNXNFXCLJB-WCQYABFASA-N	-1	0	324.358	0.404	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)C(=O)NCCC(=O)[O-]	ZINC000420571381	416418949	/nfs/dbraw/zinc/41/89/49/416418949.db2.gz	XKZJRIUMVRPQSO-UHFFFAOYSA-N	-1	0	306.318	0.459	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1F	ZINC000422678467	416448808	/nfs/dbraw/zinc/44/88/08/416448808.db2.gz	OCFUHCWBCVMHGY-JTQLQIEISA-N	-1	0	319.292	0.959	20	30		DCEDRM
Cc1[nH]nc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c1C#N	ZINC000588716319	416523740	/nfs/dbraw/zinc/52/37/40/416523740.db2.gz	OYMQKGIABXJCFC-UHFFFAOYSA-N	-1	0	319.346	1.214	20	30		DCEDRM
N#Cc1cc(F)c(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000424472139	416651796	/nfs/dbraw/zinc/65/17/96/416651796.db2.gz	OHUCYGCXKIWUFG-SNVBAGLBSA-N	-1	0	316.285	0.524	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCCC[C@@H](C)C(=O)[O-]	ZINC000516870843	416751804	/nfs/dbraw/zinc/75/18/04/416751804.db2.gz	PRXMIKIMHDSSMB-WDEREUQCSA-N	-1	0	305.400	0.803	20	30		DCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000515486507	416701952	/nfs/dbraw/zinc/70/19/52/416701952.db2.gz	AESHIDUFPFBGKW-GFCCVEGCSA-N	-1	0	312.347	0.419	20	30		DCEDRM
CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000518731485	416870550	/nfs/dbraw/zinc/87/05/50/416870550.db2.gz	HBHIIVKWIROOOD-WDEREUQCSA-N	-1	0	318.301	0.529	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000564983772	416901280	/nfs/dbraw/zinc/90/12/80/416901280.db2.gz	FGRDGAJIVSFREX-VWYCJHECSA-N	-1	0	303.384	0.365	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)NC[C@@H](C)CCC(=O)[O-]	ZINC000568001565	417073258	/nfs/dbraw/zinc/07/32/58/417073258.db2.gz	BBAYKNISBJJKFJ-NSHDSACASA-N	-1	0	321.399	0.184	20	30		DCEDRM
CC(C)c1nc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cn1C	ZINC000414460210	417285442	/nfs/dbraw/zinc/28/54/42/417285442.db2.gz	WHHYXSDKSZOGOM-UHFFFAOYSA-N	-1	0	308.367	0.949	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@](COC)(C(=O)[O-])C2)C1	ZINC000633069280	417341816	/nfs/dbraw/zinc/34/18/16/417341816.db2.gz	KPFGDFJMACLMGV-WBMJQRKESA-N	-1	0	324.377	0.361	20	30		DCEDRM
C=C(C)COCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000572442685	417459118	/nfs/dbraw/zinc/45/91/18/417459118.db2.gz	YLORMYCPAPRZQK-NEPJUHHUSA-N	-1	0	300.355	0.758	20	30		DCEDRM
N#CCC1(CS(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F)CC1	ZINC000575320770	417527628	/nfs/dbraw/zinc/52/76/28/417527628.db2.gz	HEQXZHRCMIUURL-QMMMGPOBSA-N	-1	0	310.322	0.956	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-]	ZINC000646046942	417861570	/nfs/dbraw/zinc/86/15/70/417861570.db2.gz	LVHPIIRYDZANFM-VIFPVBQESA-N	-1	0	317.367	0.467	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659402828	418091882	/nfs/dbraw/zinc/09/18/82/418091882.db2.gz	HRYUVOOIYMOYNR-VPWBDBDCSA-N	-1	0	324.377	0.710	20	30		DCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659654177	418137624	/nfs/dbraw/zinc/13/76/24/418137624.db2.gz	ZRAIXUAOMXEBNW-HWWQOWPSSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=CCn1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)nn1	ZINC000648893008	418171626	/nfs/dbraw/zinc/17/16/26/418171626.db2.gz	BBCPNTYBPVJGBM-SECBINFHSA-N	-1	0	303.326	0.308	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](OCC)C2(C)C)nn1	ZINC000649249213	418214568	/nfs/dbraw/zinc/21/45/68/418214568.db2.gz	XQXZORHLNCRQCG-IAQYHMDHSA-N	-1	0	322.365	0.852	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cc(F)ccc1OC)C(=O)[O-]	ZINC000650412710	418308851	/nfs/dbraw/zinc/30/88/51/418308851.db2.gz	XIBWAMFEEIWLIC-JTQLQIEISA-N	-1	0	315.322	0.979	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCC[C@@H](OC)C2)nn1	ZINC000656246766	418338144	/nfs/dbraw/zinc/33/81/44/418338144.db2.gz	WOXHMXICYAEDRF-WZRBSPASSA-N	-1	0	322.365	0.852	20	30		DCEDRM
C=CCOCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000656723221	418373426	/nfs/dbraw/zinc/37/34/26/418373426.db2.gz	JRHSZSAIBAEDOX-UHFFFAOYSA-N	-1	0	306.384	0.210	20	30		DCEDRM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)o1	ZINC000358524404	261679280	/nfs/dbraw/zinc/67/92/80/261679280.db2.gz	GRXMZKOEZDFKLN-UHFFFAOYSA-N	-1	0	310.291	0.852	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000362251198	262015030	/nfs/dbraw/zinc/01/50/30/262015030.db2.gz	USXUXHKDERAUAU-SECBINFHSA-N	-1	0	312.347	0.908	20	30		DCEDRM
C[C@H](c1ccccc1)N(C)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000515844164	269888300	/nfs/dbraw/zinc/88/83/00/269888300.db2.gz	RHFSPNYYNWQIQK-LLVKDONJSA-N	-1	0	312.329	0.628	20	30		DCEDRM
CCOC(=O)Nc1ccc(NC(=O)C(=O)[N-]OC)cc1C#N	ZINC000492258901	272118478	/nfs/dbraw/zinc/11/84/78/272118478.db2.gz	NUHDSNITSIARJS-UHFFFAOYSA-N	-1	0	306.278	0.743	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)/C=C/c2cccnc2)c1	ZINC000493635002	272200514	/nfs/dbraw/zinc/20/05/14/272200514.db2.gz	UMXCOZHZBZFGAQ-ONEGZZNKSA-N	-1	0	314.326	0.867	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000548215113	288122180	/nfs/dbraw/zinc/12/21/80/288122180.db2.gz	HGGSDNQLBICUGF-SECBINFHSA-N	-1	0	302.283	0.075	20	30		DCEDRM
COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)o1	ZINC000554433455	288320286	/nfs/dbraw/zinc/32/02/86/288320286.db2.gz	PWYHJKBSMYDUBL-UHFFFAOYSA-N	-1	0	302.308	0.263	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C	ZINC000263137155	298277157	/nfs/dbraw/zinc/27/71/57/298277157.db2.gz	NUXZIYJHAHJWOU-MXWKQRLJSA-N	-1	0	303.384	0.650	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000263488853	298277237	/nfs/dbraw/zinc/27/72/37/298277237.db2.gz	NUXBRASRCJZPHX-NTZNESFSSA-N	-1	0	315.395	0.652	20	30		DCEDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cccnc1C#N	ZINC000263479245	300055806	/nfs/dbraw/zinc/05/58/06/300055806.db2.gz	FWMAEQIXGDFJJF-UWVGGRQHSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C=C(C)CS(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000573494435	332107655	/nfs/dbraw/zinc/10/76/55/332107655.db2.gz	IBNPXIYGDXROMH-NSHDSACASA-N	-1	0	301.368	0.159	20	30		DCEDRM
CCCSC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000569609669	332201010	/nfs/dbraw/zinc/20/10/10/332201010.db2.gz	XAVMNEZZOIPISH-UWVGGRQHSA-N	-1	0	323.440	0.651	20	30		DCEDRM
C=C(C)COCCNC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000559577546	332272121	/nfs/dbraw/zinc/27/21/21/332272121.db2.gz	DOQVTAWZWJYFHK-UHFFFAOYSA-N	-1	0	300.355	0.854	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)[O-]	ZINC000583359887	332351586	/nfs/dbraw/zinc/35/15/86/332351586.db2.gz	YTWACUPDMBBJRS-FVCCEPFGSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=CCc1ccccc1OC[C@H](O)CN1CCOC[C@@H]1C(=O)[O-]	ZINC000565103659	332593973	/nfs/dbraw/zinc/59/39/73/332593973.db2.gz	NZHCTGJAXSWOMT-HUUCEWRRSA-N	-1	0	321.373	0.940	20	30		DCEDRM
C=CCOc1cccc(NC(=O)N2CC(=O)NC[C@@H]2C(=O)[O-])c1	ZINC000562464199	332595412	/nfs/dbraw/zinc/59/54/12/332595412.db2.gz	WQZRFLVFKVUQRO-GFCCVEGCSA-N	-1	0	319.317	0.668	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccc(C)s1)C(=O)[O-]	ZINC000580323427	333163925	/nfs/dbraw/zinc/16/39/25/333163925.db2.gz	YBIJSFRKIVPJBQ-SECBINFHSA-N	-1	0	305.377	0.991	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1Cl	ZINC000388722603	333168148	/nfs/dbraw/zinc/16/81/48/333168148.db2.gz	ZZCJHQBKJNWHPU-UHFFFAOYSA-N	-1	0	318.738	0.279	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)N1CCCC[C@@H]1C)C(=O)[O-]	ZINC000563078851	333342648	/nfs/dbraw/zinc/34/26/48/333342648.db2.gz	BLGYTYWAMFQXAF-QWRGUYRKSA-N	-1	0	306.384	0.351	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)N(C)[C@H](C)C1CC1)C(=O)[O-]	ZINC000564081162	337452461	/nfs/dbraw/zinc/45/24/61/337452461.db2.gz	LIWYEKIZAWFFCW-KOLCDFICSA-N	-1	0	306.384	0.207	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000490922519	339843886	/nfs/dbraw/zinc/84/38/86/339843886.db2.gz	FFPCEFQVLRBEKZ-UHFFFAOYSA-N	-1	0	314.269	0.810	20	30		DCEDRM
C#CC[C@@]1(C(=O)[N-]OCCO)CCCN1C(=O)OC(C)(C)C	ZINC000495916305	339994709	/nfs/dbraw/zinc/99/47/09/339994709.db2.gz	VFTXNVLBYWXHMQ-HNNXBMFYSA-N	-1	0	312.366	0.820	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)ncn2C)C(=O)[O-]	ZINC000543787238	341058761	/nfs/dbraw/zinc/05/87/61/341058761.db2.gz	LFKMBLKJZURLHD-LLVKDONJSA-N	-1	0	321.358	0.718	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cn(CC(C)C)cn1	ZINC000547914253	341239119	/nfs/dbraw/zinc/23/91/19/341239119.db2.gz	JCBGXHZLPJRMTO-UHFFFAOYSA-N	-1	0	301.368	0.800	20	30		DCEDRM
CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000567356414	341598190	/nfs/dbraw/zinc/59/81/90/341598190.db2.gz	KMFAFDHXUIRAMG-HBNTYKKESA-N	-1	0	305.400	0.896	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCC(C)(C)[C@@H]1C(=O)[O-]	ZINC000567476193	341609206	/nfs/dbraw/zinc/60/92/06/341609206.db2.gz	DBQRBAOTENVMIP-QWRGUYRKSA-N	-1	0	317.411	0.898	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-]	ZINC000577615416	341923548	/nfs/dbraw/zinc/92/35/48/341923548.db2.gz	MLQQGXVKLKJOTC-GHMZBOCLSA-N	-1	0	305.400	0.896	20	30		DCEDRM
C=CCn1cc(CNC(=O)c2c(C)coc2CC(=O)[O-])nn1	ZINC000425262635	534462399	/nfs/dbraw/zinc/46/23/99/534462399.db2.gz	YUMHHNDLVZFVPA-UHFFFAOYSA-N	-1	0	304.306	0.923	20	30		DCEDRM
CN(C)C(=O)CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124274312	523982629	/nfs/dbraw/zinc/98/26/29/523982629.db2.gz	LUMJFBQLSMPROM-UHFFFAOYSA-N	-1	0	317.317	0.593	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]	ZINC000262937137	526791012	/nfs/dbraw/zinc/79/10/12/526791012.db2.gz	HKEVQYVGYMNYGF-LLVKDONJSA-N	-1	0	324.289	0.989	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)OC[C@H]1CCCO1)C(=O)[O-]	ZINC000263070029	526804375	/nfs/dbraw/zinc/80/43/75/526804375.db2.gz	RISAHMMVYNNPNS-UTUOFQBUSA-N	-1	0	301.339	0.343	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C)C(=O)[O-]	ZINC000262873408	526806608	/nfs/dbraw/zinc/80/66/08/526806608.db2.gz	BNZCLZALSJRYEX-UHIISALHSA-N	-1	0	321.329	0.987	20	30		DCEDRM
C=CCOc1cc(OC)ccc1C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000262750301	526828190	/nfs/dbraw/zinc/82/81/90/526828190.db2.gz	AHJCRIQDAUERRF-HNNXBMFYSA-N	-1	0	309.318	0.825	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)[O-]	ZINC000159571663	527164337	/nfs/dbraw/zinc/16/43/37/527164337.db2.gz	PTVSOGONKSGPSR-SNVBAGLBSA-N	-1	0	301.295	0.589	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-]	ZINC000159588741	527164818	/nfs/dbraw/zinc/16/48/18/527164818.db2.gz	DHTSSMVGGFSZQT-SNVBAGLBSA-N	-1	0	312.303	0.658	20	30		DCEDRM
C=CCC[C@H](NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)[O-]	ZINC000262972350	527481182	/nfs/dbraw/zinc/48/11/82/527481182.db2.gz	SSSUJMKWGNLWPF-BHDSKKPTSA-N	-1	0	312.391	0.976	20	30		DCEDRM
C=CCN(C(=O)C(=O)[O-])[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000360408978	527531664	/nfs/dbraw/zinc/53/16/64/527531664.db2.gz	SPGDDZWXAIQZPW-SNVBAGLBSA-N	-1	0	301.306	0.823	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C(=O)[O-]	ZINC000818019158	597213355	/nfs/dbraw/zinc/21/33/55/597213355.db2.gz	YJPHAXDTIZJLCA-SSDOTTSWSA-N	-1	0	309.253	0.256	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)NCCC(=O)[O-])CC2)nc1	ZINC000819100235	597221765	/nfs/dbraw/zinc/22/17/65/597221765.db2.gz	CICDJIVPACNUKS-UHFFFAOYSA-N	-1	0	303.322	0.260	20	30		DCEDRM
COC(=O)c1cccc(CN2CCO[C@@H](C(=O)[O-])C2)c1C#N	ZINC000820689577	597406186	/nfs/dbraw/zinc/40/61/86/597406186.db2.gz	UYOWVHRNXAZPPE-CYBMUJFWSA-N	-1	0	304.302	0.630	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)COc1ccccc1	ZINC000819833994	597632482	/nfs/dbraw/zinc/63/24/82/597632482.db2.gz	LJNDGGCXGZFFKH-NHYWBVRUSA-N	-1	0	306.318	0.547	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(-n2cncn2)nc1	ZINC000819842850	597634251	/nfs/dbraw/zinc/63/42/51/597634251.db2.gz	VQEBOEPYKIPQEF-AWEZNQCLSA-N	-1	0	314.305	0.283	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(Cc2cscn2)CC1	ZINC000819822109	597637656	/nfs/dbraw/zinc/63/76/56/597637656.db2.gz	LVIRMGWRBPZWEX-AWEZNQCLSA-N	-1	0	322.390	0.792	20	30		DCEDRM
COc1cccc([C@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000820865401	597646206	/nfs/dbraw/zinc/64/62/06/597646206.db2.gz	NJCJSJRCYOEEQE-IUODEOHRSA-N	-1	0	306.318	0.849	20	30		DCEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1nnc2n1CCCC2	ZINC000820113755	597657185	/nfs/dbraw/zinc/65/71/85/597657185.db2.gz	GDJBXICMQOTGCZ-OTYXRUKQSA-N	-1	0	305.338	0.796	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCc1nnc2n1CCCC2	ZINC000819835523	597660249	/nfs/dbraw/zinc/66/02/49/597660249.db2.gz	WEFUVGSBMPNMER-HNNXBMFYSA-N	-1	0	319.365	0.668	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1ccc(C#N)cc1C)[C@@H](C)C(=O)[O-]	ZINC000819753266	597686125	/nfs/dbraw/zinc/68/61/25/597686125.db2.gz	YMRWOYOXXYOOIJ-NSHDSACASA-N	-1	0	317.345	0.918	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NCC(=O)[O-]	ZINC000820194674	597827697	/nfs/dbraw/zinc/82/76/97/597827697.db2.gz	RRIAQBPGPPIRNF-SECBINFHSA-N	-1	0	306.274	0.070	20	30		DCEDRM
Cn1c(=O)c(=Cc2cccc(C(=O)[O-])c2)sc1=C(C#N)C#N	ZINC000821257402	598201956	/nfs/dbraw/zinc/20/19/56/598201956.db2.gz	MYTRPYPNHUSZHY-UHFFFAOYSA-N	-1	0	311.322	0.172	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cc(=O)n2ccccc2n1	ZINC000819875502	598224446	/nfs/dbraw/zinc/22/44/46/598224446.db2.gz	XXIPWZXSFVRUPT-OAHLLOKOSA-N	-1	0	315.285	0.742	20	30		DCEDRM
CNC(=O)COc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC000820637061	598226810	/nfs/dbraw/zinc/22/68/10/598226810.db2.gz	BSFPKDYVXHCUSW-OAHLLOKOSA-N	-1	0	319.317	0.754	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCn2c(nnc2C2CC2)C1	ZINC000819821333	598227401	/nfs/dbraw/zinc/22/74/01/598227401.db2.gz	FFTLTQAZXUTBIF-CQSZACIVSA-N	-1	0	303.322	0.502	20	30		DCEDRM
CC(C)(C)S(=O)(=O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819843229	598227492	/nfs/dbraw/zinc/22/74/92/598227492.db2.gz	ZLVCLLGVQIQMOF-LBPRGKRZSA-N	-1	0	304.368	0.320	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc3c(c2)nnn3C)o1	ZINC000737466718	599535425	/nfs/dbraw/zinc/53/54/25/599535425.db2.gz	AYGONRKBAYNSIU-UHFFFAOYSA-N	-1	0	324.308	0.891	20	30		DCEDRM
C=CCN(C(=O)CCCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000736108137	599748865	/nfs/dbraw/zinc/74/88/65/599748865.db2.gz	LGPSGQVZFILVOC-JTQLQIEISA-N	-1	0	304.368	0.236	20	30		DCEDRM
N#Cc1ccc(N2CC[C@@H](N3CCO[C@H](C(=O)[O-])C3)C2=O)cc1	ZINC000738431894	599971680	/nfs/dbraw/zinc/97/16/80/599971680.db2.gz	ANQNVUAGVGTKAN-KGLIPLIRSA-N	-1	0	315.329	0.449	20	30		DCEDRM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCO[C@H](C#N)C1	ZINC000315095888	599980983	/nfs/dbraw/zinc/98/09/83/599980983.db2.gz	LKNILBDNUGQWKQ-LLVKDONJSA-N	-1	0	310.331	0.606	20	30		DCEDRM
O=C([O-])C1=C(C(=O)C2CC2)[C@H](c2cscn2)NC(=S)N1	ZINC000738528101	599985240	/nfs/dbraw/zinc/98/52/40/599985240.db2.gz	KECKTHPDPHUPRO-QMMMGPOBSA-N	-1	0	309.372	0.980	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])CC(=O)Nc1ccc(C#N)cc1	ZINC000737615266	600012830	/nfs/dbraw/zinc/01/28/30/600012830.db2.gz	JUKXAACSSXNUOJ-UHFFFAOYSA-N	-1	0	305.290	0.056	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN[C@@](CC)(C(=O)[O-])c1ccccc1	ZINC000736106009	600128243	/nfs/dbraw/zinc/12/82/43/600128243.db2.gz	QGULACFIQTZXLG-MRXNPFEDSA-N	-1	0	319.361	0.978	20	30		DCEDRM
O=C([O-])c1ccc2[nH]cc(C=NN[C@H]3CCS(=O)(=O)C3)c2c1	ZINC000740191251	600180995	/nfs/dbraw/zinc/18/09/95/600180995.db2.gz	WGHMTDJGPOOUBB-NSHDSACASA-N	-1	0	321.358	0.977	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NCc2cccc(OCC(=O)[O-])c2)CCO1	ZINC000739068894	600189240	/nfs/dbraw/zinc/18/92/40/600189240.db2.gz	IIASASDIJAJINM-ZDUSSCGKSA-N	-1	0	319.317	0.584	20	30		DCEDRM
N#CC1(NC(=O)COC(=O)CCCNC(=O)[O-])CCCCC1	ZINC000739066529	600198274	/nfs/dbraw/zinc/19/82/74/600198274.db2.gz	NNLYWLJGFJHPHZ-UHFFFAOYSA-N	-1	0	311.338	0.920	20	30		DCEDRM
N#Cc1ccc(N2CC[C@@H](OC(=O)CCNC(=O)[O-])C2=O)cc1	ZINC000739123013	600201072	/nfs/dbraw/zinc/20/10/72/600201072.db2.gz	KNPVJFQSVVRXAU-GFCCVEGCSA-N	-1	0	317.301	0.864	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCO1	ZINC000093932659	600231215	/nfs/dbraw/zinc/23/12/15/600231215.db2.gz	IACRBLCHSRMTSU-GFCCVEGCSA-N	-1	0	310.331	0.439	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)CNc1ccc(C#N)cc1	ZINC000737564071	600242947	/nfs/dbraw/zinc/24/29/47/600242947.db2.gz	GRUMWSXKWZWIIW-LLVKDONJSA-N	-1	0	305.290	0.103	20	30		DCEDRM
N#Cc1ccsc1C(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC000739142466	600266081	/nfs/dbraw/zinc/26/60/81/600266081.db2.gz	MJSZIZSDYXSHBT-UHFFFAOYSA-N	-1	0	323.374	0.479	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1	ZINC000739075418	600402927	/nfs/dbraw/zinc/40/29/27/600402927.db2.gz	FLBOLPRPXZMWQE-NSHDSACASA-N	-1	0	307.350	0.604	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O	ZINC000739077294	600405227	/nfs/dbraw/zinc/40/52/27/600405227.db2.gz	LDMMYFJFTWLVMY-LBPRGKRZSA-N	-1	0	319.292	0.615	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCCc1ccc2c(c1)CC(=O)N2	ZINC000739078249	600409084	/nfs/dbraw/zinc/40/90/84/600409084.db2.gz	ZSQFJIAEGPXDFZ-UHFFFAOYSA-N	-1	0	315.329	0.941	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000736087981	600545757	/nfs/dbraw/zinc/54/57/57/600545757.db2.gz	PSITUXZDFJLGGR-CQSZACIVSA-N	-1	0	318.329	0.694	20	30		DCEDRM
COC(=O)[C@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC000737587297	600569194	/nfs/dbraw/zinc/56/91/94/600569194.db2.gz	OAXYUSCKGWKYOH-CHWSQXEVSA-N	-1	0	304.302	0.558	20	30		DCEDRM
N#CC1(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)CC1	ZINC000739065749	600577574	/nfs/dbraw/zinc/57/75/74/600577574.db2.gz	AXDRKPCMZLLIRL-UHFFFAOYSA-N	-1	0	310.331	0.875	20	30		DCEDRM
N#C[C@@H]1CN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CCO1	ZINC000833063542	600797975	/nfs/dbraw/zinc/79/79/75/600797975.db2.gz	YSGPWBZSKDXTJB-KOLCDFICSA-N	-1	0	321.358	0.776	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC000825608677	600892572	/nfs/dbraw/zinc/89/25/72/600892572.db2.gz	IATUDXIMJRMEGD-UHFFFAOYSA-N	-1	0	320.301	0.480	20	30		DCEDRM
C#CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)cc1	ZINC000736077077	600900880	/nfs/dbraw/zinc/90/08/80/600900880.db2.gz	XUJDRLZMZXDWTG-LBPRGKRZSA-N	-1	0	305.286	0.445	20	30		DCEDRM
Cc1nc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n(-c2ccc(C#N)cc2)n1	ZINC000738865096	601021188	/nfs/dbraw/zinc/02/11/88/601021188.db2.gz	UYEUPWPORIRBDA-NEPJUHHUSA-N	-1	0	311.301	0.529	20	30		DCEDRM
COCc1cccc(CNC(=O)CN(CC#N)CC(=O)[O-])c1	ZINC000831817681	601226105	/nfs/dbraw/zinc/22/61/05/601226105.db2.gz	RAVCLJHYRNROOF-UHFFFAOYSA-N	-1	0	305.334	0.359	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCC(=O)Nc1nnc(C2CC2)o1	ZINC000833065925	601288549	/nfs/dbraw/zinc/28/85/49/601288549.db2.gz	LFKQPOBWWSYWNZ-UHFFFAOYSA-N	-1	0	321.293	0.102	20	30		DCEDRM
CNC(=O)C1(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000830979231	601352778	/nfs/dbraw/zinc/35/27/78/601352778.db2.gz	RJAYOEFJNQOIGY-LLVKDONJSA-N	-1	0	302.286	0.753	20	30		DCEDRM
O=C([O-])C[C@H]1C(=O)NCCN1CC#Cc1ccc(Cl)cc1	ZINC000833207418	601411608	/nfs/dbraw/zinc/41/16/08/601411608.db2.gz	MSAJDSIPOMBYGY-ZDUSSCGKSA-N	-1	0	306.749	0.967	20	30		DCEDRM
C[C@H]1CN(c2ncnc3c2cnn3CCC#N)C[C@H]1C(=O)[O-]	ZINC000828500724	601564661	/nfs/dbraw/zinc/56/46/61/601564661.db2.gz	WZTUQZJWWLCUPN-GXSJLCMTSA-N	-1	0	300.322	0.897	20	30		DCEDRM
N#C[C@@H]1COCCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1	ZINC000833061572	601643473	/nfs/dbraw/zinc/64/34/73/601643473.db2.gz	DIMJRMJGAHTQDG-CYBMUJFWSA-N	-1	0	318.333	0.617	20	30		DCEDRM
CN(CC(=O)NCC#N)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1	ZINC000830674261	601906570	/nfs/dbraw/zinc/90/65/70/601906570.db2.gz	HJUUDGNFHYKYJH-LBPRGKRZSA-N	-1	0	315.251	0.801	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1	ZINC000817886919	602047119	/nfs/dbraw/zinc/04/71/19/602047119.db2.gz	GVQJNFMFDIUYSV-MRXNPFEDSA-N	-1	0	300.314	0.930	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])cn1	ZINC000831142440	603130740	/nfs/dbraw/zinc/13/07/40/603130740.db2.gz	YRKMIJYVTYPUBN-JOYOIKCWSA-N	-1	0	324.362	0.668	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c1N	ZINC000831161782	603436298	/nfs/dbraw/zinc/43/62/98/603436298.db2.gz	LOUXMPSSDGSAMN-PSASIEDQSA-N	-1	0	307.310	0.316	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(-c2ccco2)n[nH]1	ZINC000831087550	603599200	/nfs/dbraw/zinc/59/92/00/603599200.db2.gz	MYBJCKXHUCVMOQ-VIFPVBQESA-N	-1	0	315.289	0.998	20	30		DCEDRM
CCN(C[C@@H](C)C#N)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000827019780	603600113	/nfs/dbraw/zinc/60/01/13/603600113.db2.gz	DIOLHWSNOALKQP-RYUDHWBXSA-N	-1	0	309.370	0.525	20	30		DCEDRM
N#Cc1ccsc1N1CC[C@H](OC(=O)CNC(=O)[O-])C1=O	ZINC000831157371	603613141	/nfs/dbraw/zinc/61/31/41/603613141.db2.gz	WPFPOQWHHULZJU-QMMMGPOBSA-N	-1	0	309.303	0.536	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CC1	ZINC000831102554	603688286	/nfs/dbraw/zinc/68/82/86/603688286.db2.gz	NIEWJVDIHZVATK-OLZOCXBDSA-N	-1	0	308.382	0.774	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cc1c[nH]c2ncccc12	ZINC000831081813	603700895	/nfs/dbraw/zinc/70/08/95/603700895.db2.gz	AMMGNJCNZYPMCV-LLVKDONJSA-N	-1	0	313.317	0.820	20	30		DCEDRM
CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1cc(C#N)cs1	ZINC000828316220	603755018	/nfs/dbraw/zinc/75/50/18/603755018.db2.gz	MRUYLKSOANYCGR-UHFFFAOYSA-N	-1	0	322.390	0.987	20	30		DCEDRM
C[C@H](OC(=O)[C@H]1CCCCN1C(=O)[O-])C(=O)N(C)CCC#N	ZINC000825562735	603814155	/nfs/dbraw/zinc/81/41/55/603814155.db2.gz	XHNWWWYVIGSKFY-WDEREUQCSA-N	-1	0	311.338	0.823	20	30		DCEDRM
CN(C(=O)[O-])[C@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000827882258	603816987	/nfs/dbraw/zinc/81/69/87/603816987.db2.gz	NCAKMAIIIALDST-AWEZNQCLSA-N	-1	0	316.361	0.859	20	30		DCEDRM
C[C@@H](OC(=O)[C@@H]1CCCCN1C(=O)[O-])C(=O)N(C)CCC#N	ZINC000825562731	603818176	/nfs/dbraw/zinc/81/81/76/603818176.db2.gz	XHNWWWYVIGSKFY-MNOVXSKESA-N	-1	0	311.338	0.823	20	30		DCEDRM
C#CCSCCNC(=O)[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823466446	603825139	/nfs/dbraw/zinc/82/51/39/603825139.db2.gz	AOSOJGKWGPCVHQ-UWVGGRQHSA-N	-1	0	300.380	0.972	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823455283	603832819	/nfs/dbraw/zinc/83/28/19/603832819.db2.gz	BPOUUSNBCDTEKB-JQWIXIFHSA-N	-1	0	304.302	0.676	20	30		DCEDRM
C[C@H](OC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-])C(=O)N(C)CCC#N	ZINC000825560751	603842723	/nfs/dbraw/zinc/84/27/23/603842723.db2.gz	KBVYZLOOLJOTGS-AXFHLTTASA-N	-1	0	311.338	0.726	20	30		DCEDRM
Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830591867	603916607	/nfs/dbraw/zinc/91/66/07/603916607.db2.gz	UEMRLLWSKRNBDQ-LLVKDONJSA-N	-1	0	309.347	0.872	20	30		DCEDRM
N#CCN1CCC(CNC(=O)C[C@H]2CCCN2C(=O)[O-])CC1	ZINC000831102371	603920423	/nfs/dbraw/zinc/92/04/23/603920423.db2.gz	IKLKSDIQTHZKEN-CYBMUJFWSA-N	-1	0	308.382	0.871	20	30		DCEDRM
C[C@@H](CC(=O)OCC(=O)NCc1ccc(C#N)cc1)NC(=O)[O-]	ZINC000824727147	603960814	/nfs/dbraw/zinc/96/08/14/603960814.db2.gz	DRGPXNPIFXKDNG-JTQLQIEISA-N	-1	0	319.317	0.764	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCCc2n[nH]cc21	ZINC000831076403	604000592	/nfs/dbraw/zinc/00/05/92/604000592.db2.gz	LWSLORKSUJNWEE-ZJUUUORDSA-N	-1	0	303.322	0.544	20	30		DCEDRM
C[C@H](OC(=O)c1ccc(CNC(=O)[O-])o1)C(=O)N(C)CCC#N	ZINC000825601753	604011262	/nfs/dbraw/zinc/01/12/62/604011262.db2.gz	BWFBDQCXCWDCQI-VIFPVBQESA-N	-1	0	323.305	0.965	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2n[nH]nc2c1	ZINC000831088188	604066710	/nfs/dbraw/zinc/06/67/10/604066710.db2.gz	ZWKJPCNATASCBN-VIFPVBQESA-N	-1	0	300.278	0.286	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)/C=C/c1cncc(F)c1	ZINC000831076698	604071249	/nfs/dbraw/zinc/07/12/49/604071249.db2.gz	RBTSUTZZLWYYOT-YYRQZUAOSA-N	-1	0	304.281	0.948	20	30		DCEDRM
CCc1nc(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cs1	ZINC000827632725	604079132	/nfs/dbraw/zinc/07/91/32/604079132.db2.gz	QWVILJXKSBWXOT-SNVBAGLBSA-N	-1	0	308.363	0.962	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CN1CCCCCC1=O	ZINC000831082061	604084068	/nfs/dbraw/zinc/08/40/68/604084068.db2.gz	HFDPVJRIBBJKSM-LLVKDONJSA-N	-1	0	308.338	0.103	20	30		DCEDRM
COc1ccc(O)c(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000829483531	604155165	/nfs/dbraw/zinc/15/51/65/604155165.db2.gz	IVMBBPUZNBLWAO-VIFPVBQESA-N	-1	0	305.290	0.729	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)NC[C@H]2CCCCN2C(=O)[O-])n1	ZINC000830985816	604155425	/nfs/dbraw/zinc/15/54/25/604155425.db2.gz	YCRXJHGBPQIYMP-SNVBAGLBSA-N	-1	0	306.326	0.946	20	30		DCEDRM
N#C[C@H]1CN(C(=O)CC2(NC(=O)[O-])CCC2)CCN1C1CC1	ZINC000831077208	604168108	/nfs/dbraw/zinc/16/81/08/604168108.db2.gz	XHSBJNSWNACHPZ-LBPRGKRZSA-N	-1	0	306.366	0.766	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CCc1ccccc1	ZINC000831091316	604244538	/nfs/dbraw/zinc/24/45/38/604244538.db2.gz	BDWMDZDNHHORHV-CYBMUJFWSA-N	-1	0	323.374	0.747	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000831114038	604337599	/nfs/dbraw/zinc/33/75/99/604337599.db2.gz	IIEYERGNLAEXTI-MRVPVSSYSA-N	-1	0	313.310	0.728	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(C#N)cn2C)CCO1	ZINC000825328870	604447783	/nfs/dbraw/zinc/44/77/83/604447783.db2.gz	XOHLYFRZOUIAAS-BXKDBHETSA-N	-1	0	306.322	0.394	20	30		DCEDRM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCNC(=O)[O-]	ZINC000831114673	604468139	/nfs/dbraw/zinc/46/81/39/604468139.db2.gz	QKEMKYBTBVTMGF-UHFFFAOYSA-N	-1	0	314.279	0.012	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)CCCCC#N)CCO1	ZINC000825359471	604492731	/nfs/dbraw/zinc/49/27/31/604492731.db2.gz	LREZQVUXFCFMMC-MNOVXSKESA-N	-1	0	319.383	0.367	20	30		DCEDRM
C#CCSCCNS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000231938504	604507047	/nfs/dbraw/zinc/50/70/47/604507047.db2.gz	ZOWZUDBCWQDTOA-UHFFFAOYSA-N	-1	0	303.361	0.931	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000825631798	604542042	/nfs/dbraw/zinc/54/20/42/604542042.db2.gz	MUPOEEGFOZZCIK-UHFFFAOYSA-N	-1	0	312.372	0.867	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)NC1CN(C(=O)[O-])C1	ZINC000823466840	604588333	/nfs/dbraw/zinc/58/83/33/604588333.db2.gz	JUOLQGUQFIPMDB-UHFFFAOYSA-N	-1	0	303.318	0.860	20	30		DCEDRM
C[C@H](C(=O)N(C)CCC#N)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000825343520	604619132	/nfs/dbraw/zinc/61/91/32/604619132.db2.gz	IQHJNJXOIWTFTK-QJPTWQEYSA-N	-1	0	312.370	0.104	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1ccccc1	ZINC000829302401	604637325	/nfs/dbraw/zinc/63/73/25/604637325.db2.gz	HNQCIAUYWLXWRL-CYBMUJFWSA-N	-1	0	310.375	0.992	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc(C#N)cn2)CCO1	ZINC000825337562	604705250	/nfs/dbraw/zinc/70/52/50/604705250.db2.gz	YPJFRHYQVDMGIL-CABZTGNLSA-N	-1	0	304.306	0.450	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)COc1cccc(C#N)c1	ZINC000829954718	604735504	/nfs/dbraw/zinc/73/55/04/604735504.db2.gz	JVRYNHRCEAZIPU-ZDUSSCGKSA-N	-1	0	306.318	0.885	20	30		DCEDRM
N#CCc1ccccc1C(=O)OCCc1cn(CC(=O)[O-])nn1	ZINC000833069119	604836010	/nfs/dbraw/zinc/83/60/10/604836010.db2.gz	MYLUROQGHGEFKL-UHFFFAOYSA-N	-1	0	314.301	0.828	20	30		DCEDRM
C#CCCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC	ZINC000833364761	604877847	/nfs/dbraw/zinc/87/78/47/604877847.db2.gz	CZWUQTZJUWYLEV-UHFFFAOYSA-N	-1	0	313.331	0.704	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)C1CCC(C(=O)[O-])CC1	ZINC000833376570	605073424	/nfs/dbraw/zinc/07/34/24/605073424.db2.gz	HKIWUHCNGBHPLW-UHFFFAOYSA-N	-1	0	312.322	0.432	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC000393835974	605209682	/nfs/dbraw/zinc/20/96/82/605209682.db2.gz	LQZWXNBVBSDXLK-VMPITWQZSA-N	-1	0	324.358	0.365	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000833376659	605210984	/nfs/dbraw/zinc/21/09/84/605210984.db2.gz	NMYCAGIPINBLAG-UHFFFAOYSA-N	-1	0	316.310	0.104	20	30		DCEDRM
C=CCNC(=O)CNC(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC000833376783	605215541	/nfs/dbraw/zinc/21/55/41/605215541.db2.gz	BWDYHUKAYAECRU-UHFFFAOYSA-N	-1	0	321.333	0.365	20	30		DCEDRM
C=CCNC(=O)CNC(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000393824822	605237711	/nfs/dbraw/zinc/23/77/11/605237711.db2.gz	NELUELPTAAHRPK-UHFFFAOYSA-N	-1	0	307.306	0.574	20	30		DCEDRM
C=CCNC(=O)CNC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1	ZINC000833376431	605239293	/nfs/dbraw/zinc/23/92/93/605239293.db2.gz	FLBMTSXDPPHVGI-UHFFFAOYSA-N	-1	0	317.305	0.685	20	30		DCEDRM
N#CCN1CCC(OC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000831102280	605269715	/nfs/dbraw/zinc/26/97/15/605269715.db2.gz	FIEJJQXMIWHJMI-GFCCVEGCSA-N	-1	0	311.338	0.286	20	30		DCEDRM
C[C@@H](CCNC(=O)C(=O)Nc1ccc(C#N)cc1F)NC(=O)[O-]	ZINC000824775353	605356123	/nfs/dbraw/zinc/35/61/23/605356123.db2.gz	AARLNLIDHXEOPH-QMMMGPOBSA-N	-1	0	322.296	0.798	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)COC1CN(C(=O)[O-])C1)CC2	ZINC000833977599	605364509	/nfs/dbraw/zinc/36/45/09/605364509.db2.gz	UQSPZSWULQYSOC-UHFFFAOYSA-N	-1	0	301.302	0.826	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC000833366126	605420523	/nfs/dbraw/zinc/42/05/23/605420523.db2.gz	HHKQDFVGFCHTHA-UHFFFAOYSA-N	-1	0	319.360	0.383	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000833977692	605423690	/nfs/dbraw/zinc/42/36/90/605423690.db2.gz	RUTPQQIEJYVHKG-NSHDSACASA-N	-1	0	309.347	0.836	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000833366012	605497865	/nfs/dbraw/zinc/49/78/65/605497865.db2.gz	BJSFUGGNFTVBOJ-UHFFFAOYSA-N	-1	0	323.280	0.620	20	30		DCEDRM
C=CCOCCCC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833375982	605662815	/nfs/dbraw/zinc/66/28/15/605662815.db2.gz	QJLNIXXXLYEHRK-NEPJUHHUSA-N	-1	0	313.350	0.834	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000833375874	605674821	/nfs/dbraw/zinc/67/48/21/605674821.db2.gz	NBZRNLANEXAMGR-UHFFFAOYSA-N	-1	0	321.333	0.712	20	30		DCEDRM
C[C@H](NC(=O)Cn1cnc(C#N)n1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000825127462	605686504	/nfs/dbraw/zinc/68/65/04/605686504.db2.gz	LHSGFPCOUSKAQF-UWVGGRQHSA-N	-1	0	306.326	0.044	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)/C=C/c1ccc(O)c(O)c1	ZINC000833966945	605697938	/nfs/dbraw/zinc/69/79/38/605697938.db2.gz	OUWUEVVQMORVLT-JRBALWBOSA-N	-1	0	317.301	0.825	20	30		DCEDRM
N#CC1(c2nc([C@H]3COCCN3C(=O)[O-])no2)CCOCC1	ZINC000833963971	605708636	/nfs/dbraw/zinc/70/86/36/605708636.db2.gz	XSWGEYSAVSVTKO-SECBINFHSA-N	-1	0	308.294	0.693	20	30		DCEDRM
N#Cc1ccc(C(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000833973857	605725083	/nfs/dbraw/zinc/72/50/83/605725083.db2.gz	RDBYDCVAOKQFQG-ZDUSSCGKSA-N	-1	0	318.285	0.663	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C[C@H](O)c1cccc(F)c1	ZINC000833966792	605831121	/nfs/dbraw/zinc/83/11/21/605831121.db2.gz	NSUPGLZSURPYQC-OLZOCXBDSA-N	-1	0	321.308	0.964	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000833972817	605839586	/nfs/dbraw/zinc/83/95/86/605839586.db2.gz	HOKPRCCBBWZTED-STQMWFEESA-N	-1	0	314.301	0.306	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc2[nH]c(=O)oc21	ZINC000833967603	605879423	/nfs/dbraw/zinc/87/94/23/605879423.db2.gz	ROSVFFKHYPGDJG-MRVPVSSYSA-N	-1	0	316.273	0.861	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCCC[C@H]2CNC(=O)[O-])CC1	ZINC000833965070	605937448	/nfs/dbraw/zinc/93/74/48/605937448.db2.gz	YLDUVZMSNRKZAP-JTQLQIEISA-N	-1	0	301.368	0.742	20	30		DCEDRM
N#C[C@@H]1CSCCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000833966843	605973293	/nfs/dbraw/zinc/97/32/93/605973293.db2.gz	OSLJSKNGYMBQKR-MNOVXSKESA-N	-1	0	313.379	0.613	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cnc3cnccn23)o1	ZINC000822422705	606036585	/nfs/dbraw/zinc/03/65/85/606036585.db2.gz	BUEGVUPFYDUSNK-UHFFFAOYSA-N	-1	0	310.281	0.652	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)OCC	ZINC000823874148	607927569	/nfs/dbraw/zinc/92/75/69/607927569.db2.gz	UFKQEDQGJYMJIZ-SECBINFHSA-N	-1	0	316.325	0.771	20	30		DCEDRM
CC[C@@H]1C[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCO1	ZINC000825184647	609146484	/nfs/dbraw/zinc/14/64/84/609146484.db2.gz	XJZBSSDHPKKPKC-JGVFFNPUSA-N	-1	0	316.325	0.605	20	30		DCEDRM
CCO[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1	ZINC000070038043	660896122	/nfs/dbraw/zinc/89/61/22/660896122.db2.gz	PMQIGYNESTWLTR-VIFPVBQESA-N	-1	0	322.383	0.498	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC000981672064	661193738	/nfs/dbraw/zinc/19/37/38/661193738.db2.gz	MOWRJDRUYAOLEJ-SNVBAGLBSA-N	-1	0	304.354	0.094	20	30		DCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)N(C)CC(=O)OCC	ZINC000893698794	661283615	/nfs/dbraw/zinc/28/36/15/661283615.db2.gz	SZLGNYMZQGAHID-UHFFFAOYSA-N	-1	0	306.384	0.445	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]32)c1[O-]	ZINC001021398160	657736597	/nfs/dbraw/zinc/73/65/97/657736597.db2.gz	NPAKJVNZRAYWPX-INTQDDNPSA-N	-1	0	317.349	0.256	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000187609693	658038529	/nfs/dbraw/zinc/03/85/29/658038529.db2.gz	DHFONJOQUKVCHT-LBPRGKRZSA-N	-1	0	302.352	0.849	20	30		DCEDRM
C[C@H]1CO[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000892411965	658351896	/nfs/dbraw/zinc/35/18/96/658351896.db2.gz	SFLROWMNAJJFHH-ZWNOBZJWSA-N	-1	0	308.359	0.929	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1)OCC	ZINC000781500284	658928207	/nfs/dbraw/zinc/92/82/07/658928207.db2.gz	KOLRLLOJIMZYIE-VXGBXAGGSA-N	-1	0	305.396	0.983	20	30		DCEDRM
N#CCc1cccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)c1	ZINC000180211039	658961341	/nfs/dbraw/zinc/96/13/41/658961341.db2.gz	YDJIOEPSQAGVJG-ZDUSSCGKSA-N	-1	0	308.359	0.991	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)N(C)CCC(=O)OCC	ZINC000893423700	659130655	/nfs/dbraw/zinc/13/06/55/659130655.db2.gz	NXGRNRVOKDVMIT-UHFFFAOYSA-N	-1	0	318.395	0.282	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCc2cc(OC)no2)CC1	ZINC000893305383	659323721	/nfs/dbraw/zinc/32/37/21/659323721.db2.gz	PWSAZYHJALKWJI-UHFFFAOYSA-N	-1	0	300.336	0.780	20	30		DCEDRM
C#CCN1CCC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001028261064	661361469	/nfs/dbraw/zinc/36/14/69/661361469.db2.gz	SEZFONCCLOVJHK-JTQLQIEISA-N	-1	0	300.318	0.756	20	30		DCEDRM
O=C(C#CC1CC1)N1CC[C@@H](CNC(=O)c2cnc[nH]c2=O)C1	ZINC000982740516	661639355	/nfs/dbraw/zinc/63/93/55/661639355.db2.gz	XAUMTYQPQGLKOG-LBPRGKRZSA-N	-1	0	314.345	0.174	20	30		DCEDRM
COCC[C@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000070393999	665821039	/nfs/dbraw/zinc/82/10/39/665821039.db2.gz	WQBALTBVHFIIED-JTQLQIEISA-N	-1	0	316.310	0.465	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)C1CCC(S(C)(=O)=O)CC1	ZINC000909517010	662171338	/nfs/dbraw/zinc/17/13/38/662171338.db2.gz	XGPVBWDGDJOZAR-UHFFFAOYSA-N	-1	0	303.380	0.689	20	30		DCEDRM
N#Cc1nc(NC(=O)C(=O)NCCCc2ccccc2)[n-]c1C#N	ZINC000729522700	662901174	/nfs/dbraw/zinc/90/11/74/662901174.db2.gz	YLRTZOTWTOXVOI-UHFFFAOYSA-N	-1	0	322.328	0.841	20	30		DCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)CC[C@@H]2CCOC2)C1	ZINC000899926914	663201133	/nfs/dbraw/zinc/20/11/33/663201133.db2.gz	PSFGNMMGNWBJRS-STQMWFEESA-N	-1	0	315.391	0.543	20	30		DCEDRM
Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3c(C#N)cnn3C)C2)cn1	ZINC000900966423	663298216	/nfs/dbraw/zinc/29/82/16/663298216.db2.gz	USAJZESSNOXYOO-GHMZBOCLSA-N	-1	0	314.349	0.720	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2(N)Cc3ccccc3C2)CC1	ZINC000901059658	663312552	/nfs/dbraw/zinc/31/25/52/663312552.db2.gz	SMHJWJBQFRPPBM-UHFFFAOYSA-N	-1	0	306.387	0.647	20	30		DCEDRM
O=C(c1cccc(C#CCO)c1)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000901176999	663328982	/nfs/dbraw/zinc/32/89/82/663328982.db2.gz	QGQGUOVHYUIFBS-AWEZNQCLSA-N	-1	0	311.345	0.563	20	30		DCEDRM
C=CCCSCCNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC000902050717	663380714	/nfs/dbraw/zinc/38/07/14/663380714.db2.gz	DCJQYINLJRJREY-UHFFFAOYSA-N	-1	0	310.375	0.972	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccc(F)cc2C#N)CC1	ZINC000902485157	663417124	/nfs/dbraw/zinc/41/71/24/663417124.db2.gz	QDBDFRNMJQRMAY-CYBMUJFWSA-N	-1	0	321.308	0.446	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cncc(OC)c2)C1	ZINC000906007104	663595342	/nfs/dbraw/zinc/59/53/42/663595342.db2.gz	VJYGWCPLPAZXBI-UHFFFAOYSA-N	-1	0	312.347	0.742	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2	ZINC000906932386	663652296	/nfs/dbraw/zinc/65/22/96/663652296.db2.gz	BSYFPGBVYRQBGI-UHFFFAOYSA-N	-1	0	323.370	0.802	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC000906934269	663652708	/nfs/dbraw/zinc/65/27/08/663652708.db2.gz	IYMHWUQROPHGEU-ZJUUUORDSA-N	-1	0	315.372	0.905	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000907014071	663660332	/nfs/dbraw/zinc/66/03/32/663660332.db2.gz	AMFXOLVJXRCBAS-ZDUSSCGKSA-N	-1	0	323.370	0.727	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@H](C(C)C)N1CCOCC1	ZINC000908771926	663768999	/nfs/dbraw/zinc/76/89/99/663768999.db2.gz	UQLPFEGXTNIBDP-CYBMUJFWSA-N	-1	0	313.398	0.625	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)N1CCSCC1)C(=O)[O-]	ZINC000909769288	663800290	/nfs/dbraw/zinc/80/02/90/663800290.db2.gz	YDDDSFJSDYQVEY-WDEREUQCSA-N	-1	0	302.396	0.196	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnc2n1CCCCC2)C(=O)[O-]	ZINC000909771775	663800563	/nfs/dbraw/zinc/80/05/63/663800563.db2.gz	PWHXBEQZTKIYII-LLVKDONJSA-N	-1	0	307.350	0.995	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)[O-]	ZINC000910052481	663837336	/nfs/dbraw/zinc/83/73/36/663837336.db2.gz	ZCBRIFPLADTTHU-QWHCGFSZSA-N	-1	0	321.377	0.507	20	30		DCEDRM
C#CC[C@H](NC(=O)CCN1C(=O)CCc2ccccc21)C(=O)[O-]	ZINC000910054712	663837805	/nfs/dbraw/zinc/83/78/05/663837805.db2.gz	RZHSLKLLVCAGCO-ZDUSSCGKSA-N	-1	0	314.341	0.949	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccnc(O[C@H]2CCOC2)c1)C(=O)[O-]	ZINC000910054643	663837846	/nfs/dbraw/zinc/83/78/46/663837846.db2.gz	VCAXYRJOWOYAJE-RYUDHWBXSA-N	-1	0	304.302	0.456	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-]	ZINC000910050917	663840972	/nfs/dbraw/zinc/84/09/72/663840972.db2.gz	AAUDIMPTCHVODB-MQYQWHSLSA-N	-1	0	310.394	0.713	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1CCN(c2ccc(C(=O)[O-])cn2)CC1	ZINC000911170725	664000791	/nfs/dbraw/zinc/00/07/91/664000791.db2.gz	YMZITJVIXQHDJH-GFCCVEGCSA-N	-1	0	317.345	0.467	20	30		DCEDRM
C#CC[N@H+](C)CCCNC(=O)c1cccc(OCC(=O)[O-])c1	ZINC000911404883	664049239	/nfs/dbraw/zinc/04/92/39/664049239.db2.gz	JSQZYYLCSHXSIO-UHFFFAOYSA-N	-1	0	304.346	0.835	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@H](NCC#N)[C@@H]3C2)c1[O-]	ZINC000992702793	664759668	/nfs/dbraw/zinc/75/96/68/664759668.db2.gz	ZVFAKZTWDCVCLZ-TUAOUCFPSA-N	-1	0	303.366	0.778	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)CC1	ZINC000753945325	664768941	/nfs/dbraw/zinc/76/89/41/664768941.db2.gz	OFSNETLALDBVNB-UHFFFAOYSA-N	-1	0	305.319	0.093	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730539197	664791335	/nfs/dbraw/zinc/79/13/35/664791335.db2.gz	MBEXHLLPARQVDI-UHFFFAOYSA-N	-1	0	308.301	0.890	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(N3CCNC3=O)cc2)[n-]c1C#N	ZINC000914532249	664802403	/nfs/dbraw/zinc/80/24/03/664802403.db2.gz	BRXJNUSRYMFENG-UHFFFAOYSA-N	-1	0	321.300	0.935	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1	ZINC000731855674	664886354	/nfs/dbraw/zinc/88/63/54/664886354.db2.gz	ZRSYGTZTDWPQBM-GFCCVEGCSA-N	-1	0	313.321	0.083	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2COCCO2)n1	ZINC000915414860	664898461	/nfs/dbraw/zinc/89/84/61/664898461.db2.gz	IRHIHSIYUZXCKR-GXSJLCMTSA-N	-1	0	310.331	0.586	20	30		DCEDRM
Cc1ncc(CO)c(/C=N\CC(=O)NCC(F)(F)F)c1O	ZINC000915981341	665054969	/nfs/dbraw/zinc/05/49/69/665054969.db2.gz	QHXLNELBLFCCRF-XFQLMFQHSA-N	-1	0	305.256	0.685	20	30		DCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(S(N)(=O)=O)cc1	ZINC000916283942	665065393	/nfs/dbraw/zinc/06/53/93/665065393.db2.gz	CHJXZXCNEBZHNN-UHFFFAOYSA-N	-1	0	322.350	0.369	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(NC(N)=O)c1	ZINC000916892558	665099361	/nfs/dbraw/zinc/09/93/61/665099361.db2.gz	MTRPGBCBDNSIPE-LLVKDONJSA-N	-1	0	304.306	0.262	20	30		DCEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)nn1C	ZINC000917520210	665135402	/nfs/dbraw/zinc/13/54/02/665135402.db2.gz	IUTMQWZKKLWOEI-LBPRGKRZSA-N	-1	0	306.366	0.982	20	30		DCEDRM
C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000944136924	666396809	/nfs/dbraw/zinc/39/68/09/666396809.db2.gz	XOTPLTGOHZUSRP-NXEZZACHSA-N	-1	0	315.333	0.892	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001033433316	666709516	/nfs/dbraw/zinc/70/95/16/666709516.db2.gz	UILFHYRGWZQDMG-TUAOUCFPSA-N	-1	0	321.381	0.134	20	30		DCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)CCOC1	ZINC000755580211	666897585	/nfs/dbraw/zinc/89/75/85/666897585.db2.gz	ADDMUYKEVNGLHM-AWEZNQCLSA-N	-1	0	308.359	0.931	20	30		DCEDRM
O=[N+]([O-])c1cc(C=NN[C@H]2CCCS(=O)(=O)C2)ccc1[O-]	ZINC000863129606	667112926	/nfs/dbraw/zinc/11/29/26/667112926.db2.gz	MIEVHNDNUQKMID-JTQLQIEISA-N	-1	0	313.335	0.801	20	30		DCEDRM
C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cnnn1C	ZINC000863408472	667139948	/nfs/dbraw/zinc/13/99/48/667139948.db2.gz	ZDDXDEDGSXKETL-SECBINFHSA-N	-1	0	307.335	0.907	20	30		DCEDRM
CC(C)OC[C@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000863416329	667141275	/nfs/dbraw/zinc/14/12/75/667141275.db2.gz	HPZMNPSOTGRJDB-JTQLQIEISA-N	-1	0	304.368	0.478	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-]	ZINC000863419911	667141872	/nfs/dbraw/zinc/14/18/72/667141872.db2.gz	HRENEJHEILNWIE-VHSXEESVSA-N	-1	0	311.787	0.928	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C[C@H]1CCOC[C@@H]1OCC)C(=O)[O-]	ZINC000864146185	667219311	/nfs/dbraw/zinc/21/93/11/667219311.db2.gz	RXFKMOKGCMPWCW-AGIUHOORSA-N	-1	0	315.366	0.590	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000864186373	667222936	/nfs/dbraw/zinc/22/29/36/667222936.db2.gz	OFGYVIRAVPAAGW-LURJTMIESA-N	-1	0	302.674	0.654	20	30		DCEDRM
CC(C)C[C@@H](C(=O)[O-])N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1	ZINC000923272427	667489962	/nfs/dbraw/zinc/48/99/62/667489962.db2.gz	KCGYOBCHZQEHLZ-MDZLAQPJSA-N	-1	0	300.380	0.356	20	30		DCEDRM
COC(=O)c1cc(C(=O)N[C@H]2CCCN(O)C2=O)ccc1C	ZINC000868562750	667581249	/nfs/dbraw/zinc/58/12/49/667581249.db2.gz	LESSUDLKBGTFSX-LBPRGKRZSA-N	-1	0	306.318	0.892	20	30		DCEDRM
CCC[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1nnn[n-]1	ZINC000122253432	667591220	/nfs/dbraw/zinc/59/12/20/667591220.db2.gz	ADKAUVFKCURSBB-LLVKDONJSA-N	-1	0	313.317	0.938	20	30		DCEDRM
C=CCN1CCC(NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	ZINC000737532154	667615857	/nfs/dbraw/zinc/61/58/57/667615857.db2.gz	HHMZLCQUTUTMDJ-LBPRGKRZSA-N	-1	0	317.411	0.020	20	30		DCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000788091046	667659368	/nfs/dbraw/zinc/65/93/68/667659368.db2.gz	MSGZTQZXAHKNFA-UHFFFAOYSA-N	-1	0	306.303	0.556	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cncc(N2CCCC2)n1	ZINC000870144662	667713982	/nfs/dbraw/zinc/71/39/82/667713982.db2.gz	FRIFDJOAANTLCT-LLVKDONJSA-N	-1	0	301.350	0.924	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCOC1CCOCC1	ZINC000870331151	667731930	/nfs/dbraw/zinc/73/19/30/667731930.db2.gz	ZWAMHKBZDZKYOC-UHFFFAOYSA-N	-1	0	303.380	0.432	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)OC)O2)CC1	ZINC000870839798	667765543	/nfs/dbraw/zinc/76/55/43/667765543.db2.gz	WZHRCLRTIDJCLW-OPRDCNLKSA-N	-1	0	317.363	0.118	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@]2(CC(C)C)CCNC2=O)CC1	ZINC000870839018	667765557	/nfs/dbraw/zinc/76/55/57/667765557.db2.gz	COJVBTVIQSQEIO-AWEZNQCLSA-N	-1	0	314.407	0.703	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cccn(C3CC3)c2=O)CC1	ZINC000870840649	667765964	/nfs/dbraw/zinc/76/59/64/667765964.db2.gz	ZVMHRGPSIVUEMS-UHFFFAOYSA-N	-1	0	308.359	0.961	20	30		DCEDRM
C#Cc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)c1	ZINC000742255776	667787290	/nfs/dbraw/zinc/78/72/90/667787290.db2.gz	SFXMPBNQFGLWEG-UHFFFAOYSA-N	-1	0	319.342	0.838	20	30		DCEDRM
C#CCC[C@@H](O)C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000872483880	667901852	/nfs/dbraw/zinc/90/18/52/667901852.db2.gz	KFLYEAMXCFBUBV-MLCYQJTMSA-N	-1	0	310.441	0.491	20	30		DCEDRM
C#CCC[C@H](O)C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000872483882	667901920	/nfs/dbraw/zinc/90/19/20/667901920.db2.gz	KFLYEAMXCFBUBV-YPMLDQLKSA-N	-1	0	310.441	0.491	20	30		DCEDRM
CC(=O)NCCNC(=O)CCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748410916	667926985	/nfs/dbraw/zinc/92/69/85/667926985.db2.gz	UIYDQOASSYWFCQ-UHFFFAOYSA-N	-1	0	318.333	0.235	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1	ZINC000749577576	667958040	/nfs/dbraw/zinc/95/80/40/667958040.db2.gz	ZCALBDKTANLGRY-UHFFFAOYSA-N	-1	0	314.257	0.972	20	30		DCEDRM
CNC(=O)CNC(=S)NN=Cc1cccc(Cl)c1[O-]	ZINC000753165501	668026740	/nfs/dbraw/zinc/02/67/40/668026740.db2.gz	FKLOKJIOCNQSOY-UHFFFAOYSA-N	-1	0	300.771	0.590	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cccc2)nc1	ZINC000753394778	668030029	/nfs/dbraw/zinc/03/00/29/668030029.db2.gz	LTHITNZJGYJDRE-ZDUSSCGKSA-N	-1	0	312.329	0.957	20	30		DCEDRM
NC(=O)c1ccc(N=NCc2ccc(OCC(=O)[O-])cc2)nn1	ZINC000756836369	668102700	/nfs/dbraw/zinc/10/27/00/668102700.db2.gz	ZNESWXLOFBEWFP-UHFFFAOYSA-N	-1	0	315.289	0.485	20	30		DCEDRM
Cn1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])c(=O)n(C)c1=O	ZINC000757472899	668136297	/nfs/dbraw/zinc/13/62/97/668136297.db2.gz	LGPFDQDEWSUHOE-ONEGZZNKSA-N	-1	0	322.267	0.964	20	30		DCEDRM
CC(C)(C)c1[n-]n(Cc2nc(N)nc(N)n2)c(=O)c1CCC#N	ZINC000758422852	668174223	/nfs/dbraw/zinc/17/42/23/668174223.db2.gz	FQULUBDHGIZPEE-UHFFFAOYSA-N	-1	0	316.369	0.740	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cnccn2)cc1	ZINC000758577749	668185077	/nfs/dbraw/zinc/18/50/77/668185077.db2.gz	OBLKNLGFHFUQGY-UHFFFAOYSA-N	-1	0	302.315	0.396	20	30		DCEDRM
Cc1cc(O)cc2c1C(=O)/C(=C/c1cn(CC(=O)[O-])nn1)O2	ZINC000759077968	668205773	/nfs/dbraw/zinc/20/57/73/668205773.db2.gz	XZPFZEPQDWLNQV-JYOAFUTRSA-N	-1	0	301.258	0.993	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1coc(C(N)=O)c1	ZINC000760197383	668262122	/nfs/dbraw/zinc/26/21/22/668262122.db2.gz	JYKOXYCEUBVKBT-SNVBAGLBSA-N	-1	0	307.306	0.244	20	30		DCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000761107095	668305504	/nfs/dbraw/zinc/30/55/04/668305504.db2.gz	MCSSMDPEBCPGNK-LLVKDONJSA-N	-1	0	310.375	0.776	20	30		DCEDRM
N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000761168848	668310708	/nfs/dbraw/zinc/31/07/08/668310708.db2.gz	VATMVVYYXYROAC-CQSZACIVSA-N	-1	0	322.386	0.920	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CNC(=O)c1cccc(OC)c1	ZINC000762048898	668344682	/nfs/dbraw/zinc/34/46/82/668344682.db2.gz	VNRHSOCWMHKGAS-UHFFFAOYSA-N	-1	0	306.318	0.524	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CN1c2ccccc2OCCC1=O	ZINC000762050814	668344809	/nfs/dbraw/zinc/34/48/09/668344809.db2.gz	VWCGQXWIWJCSMW-UHFFFAOYSA-N	-1	0	318.329	0.901	20	30		DCEDRM
CCc1csc(-n2cc(C([O-])=C(C#N)C(=O)NC)cn2)n1	ZINC000762636862	668369316	/nfs/dbraw/zinc/36/93/16/668369316.db2.gz	VABNZZZQUDSALV-JTQLQIEISA-N	-1	0	303.347	0.960	20	30		DCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000764153026	668435701	/nfs/dbraw/zinc/43/57/01/668435701.db2.gz	SJTODMADGIUZRO-LLVKDONJSA-N	-1	0	310.375	0.776	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@H]1C[C@]12CCOC2	ZINC000764754260	668460966	/nfs/dbraw/zinc/46/09/66/668460966.db2.gz	UZDUZMCOTJXAHX-HIFRSBDPSA-N	-1	0	320.370	0.931	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCOC3)c1	ZINC000764759400	668461794	/nfs/dbraw/zinc/46/17/94/668461794.db2.gz	DLKKVCGQXDIIQE-DZGCQCFKSA-N	-1	0	320.370	0.931	20	30		DCEDRM
Cn1c(Cl)ncc1S(=O)(=O)[N-]c1cnn(CC#N)c1	ZINC000765067890	668474889	/nfs/dbraw/zinc/47/48/89/668474889.db2.gz	OYSBTKZUTOLXOJ-UHFFFAOYSA-N	-1	0	300.731	0.594	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000765657249	668504404	/nfs/dbraw/zinc/50/44/04/668504404.db2.gz	XMTAKSURJORTRW-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000766988019	668556162	/nfs/dbraw/zinc/55/61/62/668556162.db2.gz	GXPAVPRSJYHECC-GHMZBOCLSA-N	-1	0	324.358	0.797	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)N[C@@H](COC)[C@@H]1CCCO1)C(=O)[O-]	ZINC000929048358	668647288	/nfs/dbraw/zinc/64/72/88/668647288.db2.gz	DMXIPYVLPMZIBJ-SRVKXCTJSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H](OCC)[C@]12CCCO2	ZINC000929052862	668647974	/nfs/dbraw/zinc/64/79/74/668647974.db2.gz	RTSXKNVBVNEOJK-JMSVASOKSA-N	-1	0	312.366	0.995	20	30		DCEDRM
C=CCC[C@H](NC(=O)N[C@@H](COC)[C@H]1CCCO1)C(=O)[O-]	ZINC000929051473	668648204	/nfs/dbraw/zinc/64/82/04/668648204.db2.gz	XVWWPMRFFQHSHR-SDDRHHMPSA-N	-1	0	300.355	0.899	20	30		DCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000770616960	668702669	/nfs/dbraw/zinc/70/26/69/668702669.db2.gz	MSTKQLSARYKAPT-UHFFFAOYSA-N	-1	0	311.363	0.640	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCCNC(=O)C1CC1	ZINC000770730493	668709752	/nfs/dbraw/zinc/70/97/52/668709752.db2.gz	PJKXIIVJBVZSFG-LLVKDONJSA-N	-1	0	302.334	0.618	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(-n2cnnn2)c1	ZINC000770868022	668720736	/nfs/dbraw/zinc/72/07/36/668720736.db2.gz	BMYOJVYFHUOUTF-LBPRGKRZSA-N	-1	0	321.300	0.601	20	30		DCEDRM
CCCC(=O)NCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771078472	668730073	/nfs/dbraw/zinc/73/00/73/668730073.db2.gz	SYETWSRSEYBRCN-UHFFFAOYSA-N	-1	0	301.368	0.043	20	30		DCEDRM
C[C@H](CN(C)C(=O)c1ccccc1OCC#N)c1nnn[n-]1	ZINC000773998551	668819418	/nfs/dbraw/zinc/81/94/18/668819418.db2.gz	MWSATGWKCOUZGZ-SNVBAGLBSA-N	-1	0	300.322	0.978	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)cn1	ZINC000774042173	668820757	/nfs/dbraw/zinc/82/07/57/668820757.db2.gz	DKPKXXWQKGYBRK-GFCCVEGCSA-N	-1	0	305.334	0.954	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000776116153	668871045	/nfs/dbraw/zinc/87/10/45/668871045.db2.gz	IMEDYTQURUCUGD-UHFFFAOYSA-N	-1	0	307.331	0.952	20	30		DCEDRM
C[C@@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122639	668871215	/nfs/dbraw/zinc/87/12/15/668871215.db2.gz	SNMLHXSLINYYSQ-NEPJUHHUSA-N	-1	0	318.395	0.710	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-]	ZINC000776597479	668879022	/nfs/dbraw/zinc/87/90/22/668879022.db2.gz	QGMIMXDCIZVQMN-SSDOTTSWSA-N	-1	0	307.759	0.771	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-]	ZINC000776598143	668879048	/nfs/dbraw/zinc/87/90/48/668879048.db2.gz	VYBSCQFRGOPASC-MRVPVSSYSA-N	-1	0	317.319	0.764	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N(CC(=O)[O-])C1CC1	ZINC000776668979	668879860	/nfs/dbraw/zinc/87/98/60/668879860.db2.gz	ZIEKNEMJWKLTAY-UHFFFAOYSA-N	-1	0	310.331	0.805	20	30		DCEDRM
CCOCCOCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779316923	668909429	/nfs/dbraw/zinc/90/94/29/668909429.db2.gz	WNRKOHHDTSBCNN-UHFFFAOYSA-N	-1	0	318.395	0.569	20	30		DCEDRM
COc1ccc(O)cc1C(=O)/C=C\c1cn(CC(=O)[O-])nn1	ZINC000779710733	668929516	/nfs/dbraw/zinc/92/95/16/668929516.db2.gz	CVRWVDFWCOVPIB-RQOWECAXSA-N	-1	0	303.274	0.973	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cc1	ZINC000780614872	669000332	/nfs/dbraw/zinc/00/03/32/669000332.db2.gz	SBYMVIOHENFDCP-CYBMUJFWSA-N	-1	0	308.359	0.726	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)cc1	ZINC000781512299	669048149	/nfs/dbraw/zinc/04/81/49/669048149.db2.gz	OQMRJAUDTXAEMQ-ZDUSSCGKSA-N	-1	0	324.358	0.562	20	30		DCEDRM
COCCn1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1	ZINC000784540161	669209924	/nfs/dbraw/zinc/20/99/24/669209924.db2.gz	JDMJZOZATYDVQK-UHFFFAOYSA-N	-1	0	314.367	0.139	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC000788342944	669432800	/nfs/dbraw/zinc/43/28/00/669432800.db2.gz	JJYLCONISPQBDS-SECBINFHSA-N	-1	0	307.281	0.720	20	30		DCEDRM
C#CC[C@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1	ZINC000882340065	669504172	/nfs/dbraw/zinc/50/41/72/669504172.db2.gz	MIJHMVYYEUFQCW-WYRIXSBYSA-N	-1	0	322.452	0.636	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc([S@@](C)=O)cc1	ZINC000810773130	669665261	/nfs/dbraw/zinc/66/52/61/669665261.db2.gz	SSNWUYTXDYPWDR-LJQANCHMSA-N	-1	0	313.400	0.436	20	30		DCEDRM
CC[C@H](NN=C(CNS(C)(=O)=O)c1ccccc1)C(=O)[O-]	ZINC000793071955	669700694	/nfs/dbraw/zinc/70/06/94/669700694.db2.gz	JDCDEBFJPBADPQ-NSHDSACASA-N	-1	0	313.379	0.393	20	30		DCEDRM
CC(C)c1ncncc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793203473	669707265	/nfs/dbraw/zinc/70/72/65/669707265.db2.gz	LVERCXQUARYLJJ-UHFFFAOYSA-N	-1	0	308.363	0.963	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnn3ccccc23)CC1	ZINC000793206237	669707429	/nfs/dbraw/zinc/70/74/29/669707429.db2.gz	XUGCENGRGMQNAV-UHFFFAOYSA-N	-1	0	304.331	0.698	20	30		DCEDRM
Cn1cc2c(n1)CCC[C@H]2C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793212975	669708261	/nfs/dbraw/zinc/70/82/61/669708261.db2.gz	XHWPJTJRPVYREA-SNVBAGLBSA-N	-1	0	322.390	0.590	20	30		DCEDRM
COC[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(N)=O	ZINC000132971823	669761025	/nfs/dbraw/zinc/76/10/25/669761025.db2.gz	OMLCGOBNSSRYDP-AWPGEDEESA-N	-1	0	301.686	0.873	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)c1cccc2n[nH]nc21)C1CC1	ZINC000800210557	669838385	/nfs/dbraw/zinc/83/83/85/669838385.db2.gz	RXMRTGJXSIVWQE-OAHLLOKOSA-N	-1	0	313.317	0.923	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1)C1CC1	ZINC000796609245	669937087	/nfs/dbraw/zinc/93/70/87/669937087.db2.gz	ZCYOZNCCAQOGDW-ZDUSSCGKSA-N	-1	0	308.359	0.929	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1)C1CC1	ZINC000796680068	669938846	/nfs/dbraw/zinc/93/88/46/669938846.db2.gz	YJHJATTWEYYLCP-CYBMUJFWSA-N	-1	0	308.359	0.929	20	30		DCEDRM
Cc1c(CC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cnn1C	ZINC000796697478	669939640	/nfs/dbraw/zinc/93/96/40/669939640.db2.gz	AXTCOFLDZZELEQ-UHFFFAOYSA-N	-1	0	318.358	0.648	20	30		DCEDRM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000797091730	669955538	/nfs/dbraw/zinc/95/55/38/669955538.db2.gz	WJMFCHJDFGKGJD-SFYZADRCSA-N	-1	0	314.319	0.408	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cccn2)cc1	ZINC000798203015	669992098	/nfs/dbraw/zinc/99/20/98/669992098.db2.gz	QNKQSJKOTOFTFG-UHFFFAOYSA-N	-1	0	303.343	0.955	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)nc1	ZINC000191394964	670016715	/nfs/dbraw/zinc/01/67/15/670016715.db2.gz	JDPDIIZITPOQDY-UHFFFAOYSA-N	-1	0	319.346	0.631	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1)n1cnc(C#N)n1	ZINC000798842117	670026921	/nfs/dbraw/zinc/02/69/21/670026921.db2.gz	SDYALMQAXJTNCG-SSDOTTSWSA-N	-1	0	311.348	0.277	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000799080411	670037669	/nfs/dbraw/zinc/03/76/69/670037669.db2.gz	IMCUQZKJPAJKFC-CQSZACIVSA-N	-1	0	313.357	0.978	20	30		DCEDRM
CCOCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000799625651	670067317	/nfs/dbraw/zinc/06/73/17/670067317.db2.gz	QNXGOYCGULRQEJ-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CCn2ccnn2)c1	ZINC000802065042	670149044	/nfs/dbraw/zinc/14/90/44/670149044.db2.gz	KRBDQPHDEJZRJG-UHFFFAOYSA-N	-1	0	319.346	0.186	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC	ZINC000802155298	670153088	/nfs/dbraw/zinc/15/30/88/670153088.db2.gz	NSFLXKCZLGAMDT-QWRGUYRKSA-N	-1	0	321.395	0.613	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC	ZINC000802162760	670154300	/nfs/dbraw/zinc/15/43/00/670154300.db2.gz	YFDQLHWBASZCBT-VHSXEESVSA-N	-1	0	307.368	0.223	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])o1	ZINC000808098568	670389904	/nfs/dbraw/zinc/38/99/04/670389904.db2.gz	OUYADXUTPRXKCP-UHFFFAOYSA-N	-1	0	309.263	0.760	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cnn(CCF)c2)c1	ZINC000808977445	670432722	/nfs/dbraw/zinc/43/27/22/670432722.db2.gz	JKHHZRUKXJRMLQ-UHFFFAOYSA-N	-1	0	322.321	0.843	20	30		DCEDRM
Cn1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)nn1	ZINC000809003858	670434973	/nfs/dbraw/zinc/43/49/73/670434973.db2.gz	YHFRMLBPTHSCJO-JTQLQIEISA-N	-1	0	319.271	0.732	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cn(C)nc1C)OCC	ZINC000809030895	670438272	/nfs/dbraw/zinc/43/82/72/670438272.db2.gz	NXWQGBAOFXZAJW-NSHDSACASA-N	-1	0	315.395	0.905	20	30		DCEDRM
COCCS(=O)(=O)[N-]C(=O)Cc1cccc(OCC#N)c1	ZINC000810579875	670490407	/nfs/dbraw/zinc/49/04/07/670490407.db2.gz	DWDYWIVDCCQCNY-UHFFFAOYSA-N	-1	0	312.347	0.224	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1OCCOC	ZINC000810772828	670496582	/nfs/dbraw/zinc/49/65/82/670496582.db2.gz	GTMKFEHRLCLLPA-UHFFFAOYSA-N	-1	0	311.359	0.795	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc2ccccc2oc1=O	ZINC000810774724	670496876	/nfs/dbraw/zinc/49/68/76/670496876.db2.gz	PNPZHFGYQNISSD-UHFFFAOYSA-N	-1	0	305.311	0.876	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(-n2cncn2)c1	ZINC000810779348	670497380	/nfs/dbraw/zinc/49/73/80/670497380.db2.gz	JAUSFTRZEKIOOJ-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc2cc(C)nn2c1C	ZINC000810780163	670497402	/nfs/dbraw/zinc/49/74/02/670497402.db2.gz	RNFCZKJYJABCHU-UHFFFAOYSA-N	-1	0	306.347	0.429	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCc1nc(C2CC2)no1	ZINC000810778329	670497565	/nfs/dbraw/zinc/49/75/65/670497565.db2.gz	SZENGEJTJKIUBM-UHFFFAOYSA-N	-1	0	311.363	0.739	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2N1C(C)=O	ZINC000810778158	670497581	/nfs/dbraw/zinc/49/75/81/670497581.db2.gz	WHLSOWIHWYUCSG-AWEZNQCLSA-N	-1	0	320.370	0.434	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CSC[C@@H]1CCCCO1	ZINC000810786792	670498434	/nfs/dbraw/zinc/49/84/34/670498434.db2.gz	WXCNNYIQERFDRA-NSHDSACASA-N	-1	0	305.421	0.758	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC)CC1	ZINC000810986059	670502046	/nfs/dbraw/zinc/50/20/46/670502046.db2.gz	NBYHQYOUYJOTRL-NSHDSACASA-N	-1	0	302.396	0.262	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2(COC)CCOCC2)CC1	ZINC000810985775	670502185	/nfs/dbraw/zinc/50/21/85/670502185.db2.gz	SYXHNZLRQHFYKJ-UHFFFAOYSA-N	-1	0	317.407	0.984	20	30		DCEDRM
CCn1c2cc(C(=O)[N-]S(=O)(=O)CCC#N)ccc2[nH]c1=O	ZINC000847708865	670593482	/nfs/dbraw/zinc/59/34/82/670593482.db2.gz	ZIRWAQKBPHOPOU-UHFFFAOYSA-N	-1	0	322.346	0.735	20	30		DCEDRM
C#CCO[N-]C(=O)CSCc1cc(=O)n2ccsc2n1	ZINC000812782012	670596034	/nfs/dbraw/zinc/59/60/34/670596034.db2.gz	KIYAHQBKIYQNTR-UHFFFAOYSA-N	-1	0	309.372	0.670	20	30		DCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000813058102	670608889	/nfs/dbraw/zinc/60/88/89/670608889.db2.gz	HKKHDPGOHIFFGW-UHFFFAOYSA-N	-1	0	310.331	0.957	20	30		DCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2cccc(C#N)c2)cnn1C	ZINC000813953531	670665788	/nfs/dbraw/zinc/66/57/88/670665788.db2.gz	XPGXICODYUQALP-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813982994	670667471	/nfs/dbraw/zinc/66/74/71/670667471.db2.gz	CEZKIHNNLOZTKW-UHFFFAOYSA-N	-1	0	324.362	0.065	20	30		DCEDRM
C[C@H]1CN(c2ccccc2C=Nn2c(=O)[n-][nH]c2=O)CCO1	ZINC000814233084	670681968	/nfs/dbraw/zinc/68/19/68/670681968.db2.gz	ACFROXDBNGAOQJ-JTQLQIEISA-N	-1	0	303.322	0.797	20	30		DCEDRM
CC(CCCCCCC(=O)[O-])=NNC(=S)NCC(N)=O	ZINC000814844213	670704808	/nfs/dbraw/zinc/70/48/08/670704808.db2.gz	DQPWNVDDGUODBM-UHFFFAOYSA-N	-1	0	302.400	0.737	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000814842475	670705083	/nfs/dbraw/zinc/70/50/83/670705083.db2.gz	ACTAEPBFWUSIOV-BQBZGAKWSA-N	-1	0	304.310	0.721	20	30		DCEDRM
C#CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1CCCC1	ZINC000848611212	670705705	/nfs/dbraw/zinc/70/57/05/670705705.db2.gz	ZLIGVPNBQMIMTF-CYBMUJFWSA-N	-1	0	308.378	0.864	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(Cl)cc1-n1cncn1	ZINC000814939977	670708894	/nfs/dbraw/zinc/70/88/94/670708894.db2.gz	LGJYEBBYASFKCI-UHFFFAOYSA-N	-1	0	305.685	0.806	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)N[C@H](CCF)C(=O)[O-]	ZINC000848681079	670712863	/nfs/dbraw/zinc/71/28/63/670712863.db2.gz	SQBCKCZPVFCCTJ-LLVKDONJSA-N	-1	0	300.311	0.790	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](Cc1cccc(F)c1)n1nnnc1C	ZINC000855603554	670734825	/nfs/dbraw/zinc/73/48/25/670734825.db2.gz	SAMNFDSRFMYDMP-ZDUSSCGKSA-N	-1	0	303.297	0.585	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccnc1C(F)(F)F	ZINC000849219147	670765913	/nfs/dbraw/zinc/76/59/13/670765913.db2.gz	JWFPNOIGXVOFOF-UHFFFAOYSA-N	-1	0	322.264	0.809	20	30		DCEDRM
CCn1ncc(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)n1	ZINC000815895365	670770742	/nfs/dbraw/zinc/77/07/42/670770742.db2.gz	OSWHMWHGGYSESQ-UHFFFAOYSA-N	-1	0	319.346	0.429	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000850788664	670940989	/nfs/dbraw/zinc/94/09/89/670940989.db2.gz	DVPFTMJWANUKKH-GFCCVEGCSA-N	-1	0	317.411	0.304	20	30		DCEDRM
COC[C@@H](OC)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000850805382	670942093	/nfs/dbraw/zinc/94/20/93/670942093.db2.gz	DUKSCLBSTYDDDV-GFCCVEGCSA-N	-1	0	312.347	0.166	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)ccc1C#N	ZINC000850914311	670954424	/nfs/dbraw/zinc/95/44/24/670954424.db2.gz	JTKHAAOEZLSLBJ-SNVBAGLBSA-N	-1	0	324.358	0.663	20	30		DCEDRM
Cc1ncsc1CCS(=O)(=O)[N-]C(=O)[C@H](C)CC#N	ZINC000851018472	670961340	/nfs/dbraw/zinc/96/13/40/670961340.db2.gz	NLZNKCQHSONAPP-MRVPVSSYSA-N	-1	0	301.393	0.990	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cccc2c1OC(F)(F)O2	ZINC000851015292	670961523	/nfs/dbraw/zinc/96/15/23/670961523.db2.gz	CLDPAJKSVQUAKK-UHFFFAOYSA-N	-1	0	318.257	0.981	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F	ZINC000851051864	670964839	/nfs/dbraw/zinc/96/48/39/670964839.db2.gz	RWWJJFAPVUMXJE-LURJTMIESA-N	-1	0	324.284	0.794	20	30		DCEDRM
COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)c1	ZINC000851107803	670968837	/nfs/dbraw/zinc/96/88/37/670968837.db2.gz	BPUQJJXPTMSAJE-SSDOTTSWSA-N	-1	0	300.292	0.421	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)CC(F)F)cc1	ZINC000851358696	670979876	/nfs/dbraw/zinc/97/98/76/670979876.db2.gz	OTGAWHOGBVOMOW-UHFFFAOYSA-N	-1	0	304.274	0.648	20	30		DCEDRM
CSc1cnc(N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)nc1	ZINC000858682351	671030922	/nfs/dbraw/zinc/03/09/22/671030922.db2.gz	RHQWXKALRHYHDG-UHFFFAOYSA-N	-1	0	316.346	0.394	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)C[C@H](OCC)C1CC1)C(=O)OC	ZINC000859187799	671080012	/nfs/dbraw/zinc/08/00/12/671080012.db2.gz	SZPOGCVQJVJZCS-NEPJUHHUSA-N	-1	0	303.380	0.286	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)s1	ZINC000819750273	671137540	/nfs/dbraw/zinc/13/75/40/671137540.db2.gz	BXTLYDHYPLAQKL-SSDOTTSWSA-N	-1	0	302.319	0.553	20	30		DCEDRM
COCCOc1cccc(CC(=O)N[C@H]2CCN(O)C2=O)c1	ZINC000820149379	671171843	/nfs/dbraw/zinc/17/18/43/671171843.db2.gz	OQJKYMZGSUEPNS-ZDUSSCGKSA-N	-1	0	308.334	0.361	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000852914197	671193831	/nfs/dbraw/zinc/19/38/31/671193831.db2.gz	PYGGESAWUYZCFF-UHFFFAOYSA-N	-1	0	318.373	0.575	20	30		DCEDRM
COC(=O)c1oc(S(=O)(=O)[N-]c2cnn(CC#N)c2)cc1C	ZINC000853023932	671202822	/nfs/dbraw/zinc/20/28/22/671202822.db2.gz	AQDITOOCWSACPZ-UHFFFAOYSA-N	-1	0	324.318	0.896	20	30		DCEDRM
CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000860444741	671209252	/nfs/dbraw/zinc/20/92/52/671209252.db2.gz	GADHPLUYWXHFEI-NSHDSACASA-N	-1	0	323.374	0.874	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)N(C)C(=O)CO2	ZINC000860471459	671211913	/nfs/dbraw/zinc/21/19/13/671211913.db2.gz	KGWUZFWKFOJANE-NSHDSACASA-N	-1	0	313.313	0.666	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cncc(N2CCCC2=O)c1	ZINC000860471227	671211945	/nfs/dbraw/zinc/21/19/45/671211945.db2.gz	DWSQVELPVAYYJH-CYBMUJFWSA-N	-1	0	312.329	0.809	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C\c2cccc(O)c2)c(=O)n(C)c1=O	ZINC000821012605	671246241	/nfs/dbraw/zinc/24/62/41/671246241.db2.gz	LGAHDLNPBDTFKA-SREVYHEPSA-N	-1	0	302.286	0.391	20	30		DCEDRM
COc1ccc(CC(=O)[N-]S(=O)(=O)CCC#N)cc1F	ZINC000821582835	671284245	/nfs/dbraw/zinc/28/42/45/671284245.db2.gz	YZYKYRUQKARCBW-UHFFFAOYSA-N	-1	0	300.311	0.736	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCCCO2	ZINC000821582553	671284281	/nfs/dbraw/zinc/28/42/81/671284281.db2.gz	QCMQMTVLVOTVLC-UHFFFAOYSA-N	-1	0	310.331	0.821	20	30		DCEDRM
COc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)cc1	ZINC000826209537	671482256	/nfs/dbraw/zinc/48/22/56/671482256.db2.gz	HBWOZTQBLIWOMI-UHFFFAOYSA-N	-1	0	324.304	0.582	20	30		DCEDRM
Cc1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)c1	ZINC000826299686	671482993	/nfs/dbraw/zinc/48/29/93/671482993.db2.gz	PYZGCMPUKOMCAO-UHFFFAOYSA-N	-1	0	308.305	0.882	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)NCC1CCCCC1	ZINC000826383217	671487181	/nfs/dbraw/zinc/48/71/81/671487181.db2.gz	POACWLGYQQLHFE-UHFFFAOYSA-N	-1	0	314.353	0.631	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000827723174	671536649	/nfs/dbraw/zinc/53/66/49/671536649.db2.gz	GRFJDXALRMPSLA-ZDUSSCGKSA-N	-1	0	307.394	0.920	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000835117873	671788098	/nfs/dbraw/zinc/78/80/98/671788098.db2.gz	HFYAWMZMLUNXNN-NSHDSACASA-N	-1	0	306.343	0.543	20	30		DCEDRM
C[C@H](Oc1ccccn1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000835295130	671792941	/nfs/dbraw/zinc/79/29/41/671792941.db2.gz	PRWUTDLDBHGETE-JTQLQIEISA-N	-1	0	309.347	0.599	20	30		DCEDRM
COc1ccc(F)cc1CC(=O)[N-]S(=O)(=O)CCC#N	ZINC000835408310	671795641	/nfs/dbraw/zinc/79/56/41/671795641.db2.gz	GSATZLDWKCVQCK-UHFFFAOYSA-N	-1	0	300.311	0.736	20	30		DCEDRM
COCCOc1cccc(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000835410966	671796042	/nfs/dbraw/zinc/79/60/42/671796042.db2.gz	HSXGRWFYPNMUIO-UHFFFAOYSA-N	-1	0	312.347	0.685	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1nc(Cl)cs1	ZINC000835763319	671805534	/nfs/dbraw/zinc/80/55/34/671805534.db2.gz	KMDOVRORJUUTCA-UHFFFAOYSA-N	-1	0	308.768	0.641	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1	ZINC000836138520	671818294	/nfs/dbraw/zinc/81/82/94/671818294.db2.gz	RSAJAUDGLDUKRN-UHFFFAOYSA-N	-1	0	315.395	0.941	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000838004732	671892112	/nfs/dbraw/zinc/89/21/12/671892112.db2.gz	PGARJZDZBDEOBT-NEPJUHHUSA-N	-1	0	314.301	0.941	20	30		DCEDRM
O=C([O-])COc1ccc(C=NN2CCC[C@H]2CO)cc1[N+](=O)[O-]	ZINC000841660365	671947092	/nfs/dbraw/zinc/94/70/92/671947092.db2.gz	KTQYTYQSNDDDMZ-NSHDSACASA-N	-1	0	323.305	0.849	20	30		DCEDRM
COC(=O)CCS(=O)(=O)[N-]C(=O)c1cccc(F)c1C#N	ZINC000842358408	672008295	/nfs/dbraw/zinc/00/82/95/672008295.db2.gz	RRTYLGUTZOJHOH-UHFFFAOYSA-N	-1	0	314.294	0.320	20	30		DCEDRM
C=CCn1cc(C([O-])=C(C#N)C(=O)NCCCOCC)nn1	ZINC000842681829	672027858	/nfs/dbraw/zinc/02/78/58/672027858.db2.gz	UBLCZQONLCARIG-LLVKDONJSA-N	-1	0	305.338	0.329	20	30		DCEDRM
C=CCn1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)nn1	ZINC000842684084	672028839	/nfs/dbraw/zinc/02/88/39/672028839.db2.gz	WXTOZSNEESUXSJ-LBPRGKRZSA-N	-1	0	319.365	0.718	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cc[n+]([O-])cc2)CCCC1	ZINC000842756710	672034759	/nfs/dbraw/zinc/03/47/59/672034759.db2.gz	MSRDNFOVPMCUPN-UHFFFAOYSA-N	-1	0	309.347	0.464	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)CCC(C)(C)OC)nn1	ZINC000842773512	672035884	/nfs/dbraw/zinc/03/58/84/672035884.db2.gz	IMQPOHCGEZBCJU-UHFFFAOYSA-N	-1	0	316.383	0.339	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)NCC(=O)[N-]OCC)cc1	ZINC000844516256	672185965	/nfs/dbraw/zinc/18/59/65/672185965.db2.gz	PUWMTBFXTYQRJL-UHFFFAOYSA-N	-1	0	320.349	0.792	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)[O-]	ZINC000844787804	672202899	/nfs/dbraw/zinc/20/28/99/672202899.db2.gz	ZWBAPJQQQKSNBT-GHMZBOCLSA-N	-1	0	303.384	0.722	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1	ZINC000844818519	672204613	/nfs/dbraw/zinc/20/46/13/672204613.db2.gz	SKBIJDKAPZKWIH-CYBMUJFWSA-N	-1	0	315.391	0.685	20	30		DCEDRM
CC1CCN(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)CC1	ZINC000844816040	672204697	/nfs/dbraw/zinc/20/46/97/672204697.db2.gz	KHRWIEJALFAWDN-UHFFFAOYSA-N	-1	0	314.407	0.763	20	30		DCEDRM
Cc1nnnn1-c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1	ZINC000845440221	672248316	/nfs/dbraw/zinc/24/83/16/672248316.db2.gz	PCJURTPHWLTNMN-AWEZNQCLSA-N	-1	0	324.344	0.916	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)NCC(=O)[N-]OCC)cc1	ZINC000845530507	672255674	/nfs/dbraw/zinc/25/56/74/672255674.db2.gz	POOSZWKKXQMRLU-UHFFFAOYSA-N	-1	0	305.334	0.566	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1	ZINC000846148997	672297391	/nfs/dbraw/zinc/29/73/91/672297391.db2.gz	FIKSRVWOOVNDAG-UHFFFAOYSA-N	-1	0	321.333	0.374	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1nn(CCCOC)cc1C	ZINC000846146732	672297500	/nfs/dbraw/zinc/29/75/00/672297500.db2.gz	KOEHYPDACXAZNX-UHFFFAOYSA-N	-1	0	310.354	0.790	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C	ZINC000846150036	672297615	/nfs/dbraw/zinc/29/76/15/672297615.db2.gz	WRCVUEDKLDTPNY-UHFFFAOYSA-N	-1	0	318.333	0.439	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(OC)ncnc1N(C)C	ZINC000846154710	672297933	/nfs/dbraw/zinc/29/79/33/672297933.db2.gz	RFFBMWDZLQURDV-QMMMGPOBSA-N	-1	0	309.326	0.112	20	30		DCEDRM
C#CCCCNC(=O)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC000846328864	672306783	/nfs/dbraw/zinc/30/67/83/672306783.db2.gz	KTMQBUSGOOTWOM-KRWDZBQOSA-N	-1	0	316.357	0.675	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000846491763	672318062	/nfs/dbraw/zinc/31/80/62/672318062.db2.gz	TWUDUMHCDDVEHB-UHFFFAOYSA-N	-1	0	316.239	0.770	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000846496973	672319189	/nfs/dbraw/zinc/31/91/89/672319189.db2.gz	SFVBWXNLGCAYDV-AWEZNQCLSA-N	-1	0	316.361	0.711	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000867427981	672323804	/nfs/dbraw/zinc/32/38/04/672323804.db2.gz	BKSCEYHVIQVVJQ-ONGXEEELSA-N	-1	0	315.347	0.936	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)N1CCN(c2ccccc2)CC1	ZINC000846533954	672326087	/nfs/dbraw/zinc/32/60/87/672326087.db2.gz	QCUOIGSHFMKTDY-UHFFFAOYSA-N	-1	0	303.362	0.959	20	30		DCEDRM
C=CCOc1ccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1	ZINC000396745825	685271046	/nfs/dbraw/zinc/27/10/46/685271046.db2.gz	NCNVHSHSCPJWEF-UHFFFAOYSA-N	-1	0	318.329	0.620	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000092465973	685108225	/nfs/dbraw/zinc/10/82/25/685108225.db2.gz	XZGPRISXGSTSHJ-UHFFFAOYSA-N	-1	0	313.335	0.439	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)c1[O-]	ZINC000966400637	689753017	/nfs/dbraw/zinc/75/30/17/689753017.db2.gz	OBOGHRVWOXKBOG-JOYOIKCWSA-N	-1	0	316.361	0.414	20	30		DCEDRM
C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000968540480	690311231	/nfs/dbraw/zinc/31/12/31/690311231.db2.gz	VNQGHQGXIPGRPI-ONGXEEELSA-N	-1	0	315.333	0.892	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001076165544	695002823	/nfs/dbraw/zinc/00/28/23/695002823.db2.gz	GPYUBBYOOYAWCW-VFZGTOFNSA-N	-1	0	324.381	0.375	20	30		DCEDRM
CC#CCCCC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001570949750	1162652662	/nfs/dbraw/zinc/65/26/62/1162652662.db2.gz	WKSASYRHLZHMQN-XYYAHUGASA-N	-1	0	317.393	0.498	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)c1[O-]	ZINC001687153578	1157370666	/nfs/dbraw/zinc/37/06/66/1157370666.db2.gz	WPTCYSYPBZNSLN-LLVKDONJSA-N	-1	0	318.377	0.804	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(CCNC(=O)C#CC2CC2)C2CC2)c1[O-]	ZINC001745512028	1158033747	/nfs/dbraw/zinc/03/37/47/1158033747.db2.gz	HLBMJZSKXZYOCZ-UHFFFAOYSA-N	-1	0	316.361	0.558	20	30		DCEDRM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(C(N)=O)nc1	ZINC000129853144	1158150593	/nfs/dbraw/zinc/15/05/93/1158150593.db2.gz	MPKQBMKRKAWWMT-LBPRGKRZSA-N	-1	0	314.345	0.952	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@@H](NCC#N)C2CC2)cc1=O	ZINC001566713946	1160135223	/nfs/dbraw/zinc/13/52/23/1160135223.db2.gz	FYIJOECLLISSPD-CQSZACIVSA-N	-1	0	319.409	0.383	20	30		DCEDRM
C[C@]1(C#N)CN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)CCO1	ZINC001573589897	1163511742	/nfs/dbraw/zinc/51/17/42/1163511742.db2.gz	KMJMMRJBZLVQNT-AWEZNQCLSA-N	-1	0	315.289	0.182	20	30		DCEDRM
Cc1cc(=O)c(C(=O)Nc2c(C(=O)[O-])cnn2CCC#N)c[nH]1	ZINC001574126587	1163642913	/nfs/dbraw/zinc/64/29/13/1163642913.db2.gz	CYVXONDURHSKHC-UHFFFAOYSA-N	-1	0	315.289	0.744	20	30		DCEDRM
Cc1cc(NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])ncc1C#N	ZINC001574141154	1163647638	/nfs/dbraw/zinc/64/76/38/1163647638.db2.gz	JEEJKKYCIPLYBJ-IUCAKERBSA-N	-1	0	319.321	0.361	20	30		DCEDRM
N#Cc1ccc(Cn2cc(NC(=O)[C@@H](O)CC(=O)[O-])cn2)cc1	ZINC001574244833	1163672524	/nfs/dbraw/zinc/67/25/24/1163672524.db2.gz	ALEXMMVRKQFIQV-ZDUSSCGKSA-N	-1	0	314.301	0.577	20	30		DCEDRM
N#C[C@H]1C[C@H]1C(=O)N1CCN(c2nc(C(=O)[O-])cs2)CC1	ZINC001574241992	1163672644	/nfs/dbraw/zinc/67/26/44/1163672644.db2.gz	SQZHMOLNZDGCOE-RKDXNWHRSA-N	-1	0	306.347	0.650	20	30		DCEDRM
CCOC(=O)[C@H]1CCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001578251037	1164962311	/nfs/dbraw/zinc/96/23/11/1164962311.db2.gz	WKEHLFACOINSEN-SECBINFHSA-N	-1	0	314.309	0.060	20	30		DCEDRM
CCn1cc(CN(C)c2cnc(C#N)c(-c3nnn[n-]3)n2)cn1	ZINC001578754442	1165096424	/nfs/dbraw/zinc/09/64/24/1165096424.db2.gz	BYFOSTCADIJBRB-UHFFFAOYSA-N	-1	0	310.325	0.381	20	30		DCEDRM
Cn1c(=O)[nH]c(NCc2ccc(C#N)cc2)c(-c2nnn[n-]2)c1=O	ZINC001581747413	1165864101	/nfs/dbraw/zinc/86/41/01/1165864101.db2.gz	MXOCFMIKCQJCKD-UHFFFAOYSA-N	-1	0	324.304	0.150	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NCc2ccc(-c3nn[nH]n3)s2)CCO1	ZINC001581857205	1165889990	/nfs/dbraw/zinc/88/99/90/1165889990.db2.gz	SOMZEBIZCKQCDH-QMMMGPOBSA-N	-1	0	319.350	0.362	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CCOC1CCSCC1	ZINC001581860653	1165891639	/nfs/dbraw/zinc/89/16/39/1165891639.db2.gz	MALGJMWTFDNHII-UHFFFAOYSA-N	-1	0	320.382	0.429	20	30		DCEDRM
C#CCN(C)C(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC001588349185	1166538761	/nfs/dbraw/zinc/53/87/61/1166538761.db2.gz	GWVMNKXIYKYDRJ-UHFFFAOYSA-N	-1	0	304.335	0.394	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2O)C(=O)[O-]	ZINC001588414877	1166551739	/nfs/dbraw/zinc/55/17/39/1166551739.db2.gz	VBJWZTZJQUZWSU-RYUDHWBXSA-N	-1	0	304.302	0.363	20	30		DCEDRM
C=CC(C)(C)CCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1	ZINC001588489290	1166556823	/nfs/dbraw/zinc/55/68/23/1166556823.db2.gz	ZWWMRPKXEGRGCL-UHFFFAOYSA-N	-1	0	305.342	0.680	20	30		DCEDRM
C[C@H](C(=O)N(CC#N)c1ccccc1)n1cnc(-c2nnn[n-]2)n1	ZINC001588943429	1166621856	/nfs/dbraw/zinc/62/18/56/1166621856.db2.gz	OAQRXKYIQUPINH-SNVBAGLBSA-N	-1	0	323.320	0.576	20	30		DCEDRM
C[C@@H](C(=O)Nc1ccc(C#N)cc1)n1cnc(-c2nnn[n-]2)n1	ZINC001589015969	1166629189	/nfs/dbraw/zinc/62/91/89/1166629189.db2.gz	SIYNYSMLPLUFTL-QMMMGPOBSA-N	-1	0	309.293	0.530	20	30		DCEDRM
C[C@@H](O)CN(C)N=C1CCCc2c1c[nH]c(=O)c2-c1nnn[n-]1	ZINC001590000028	1166747878	/nfs/dbraw/zinc/74/78/78/1166747878.db2.gz	CXTOGEJASYAENP-MRVPVSSYSA-N	-1	0	317.353	0.320	20	30		DCEDRM
C[C@@H]1CCC[C@@H](CNc2cnc(C#N)c(-c3nnn[n-]3)n2)O1	ZINC001590245235	1166827744	/nfs/dbraw/zinc/82/77/44/1166827744.db2.gz	XUJWJQJPURCPJZ-BDAKNGLRSA-N	-1	0	300.326	0.898	20	30		DCEDRM
CCc1ncc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)s1	ZINC001590925078	1167052566	/nfs/dbraw/zinc/05/25/66/1167052566.db2.gz	LVPDNIAUHKHELK-UHFFFAOYSA-N	-1	0	315.322	0.733	20	30		DCEDRM
CO[C@H](Cn1c(N)nc(-c2nnn[n-]2)c1C#N)C1CCCC1	ZINC001591333706	1167221016	/nfs/dbraw/zinc/22/10/16/1167221016.db2.gz	NEOABUQACMFLMH-SNVBAGLBSA-N	-1	0	302.342	0.722	20	30		DCEDRM
COC1([C@H](C)Nc2cnc(C#N)c(-c3nnn[n-]3)n2)CCC1	ZINC001591339029	1167222947	/nfs/dbraw/zinc/22/29/47/1167222947.db2.gz	VGNLYEIVYPXOPJ-QMMMGPOBSA-N	-1	0	300.326	0.898	20	30		DCEDRM
COc1cc(C#N)ccc1Cn1ccc(-c2nnn[n-]2)cc1=O	ZINC001591509222	1167316399	/nfs/dbraw/zinc/31/63/99/1167316399.db2.gz	SHBFSPGDCHOMKB-UHFFFAOYSA-N	-1	0	308.301	0.957	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cnc(C3CC3)nc2)[n-]c1-c1nn[nH]n1	ZINC001592681480	1167599000	/nfs/dbraw/zinc/59/90/00/1167599000.db2.gz	DRFWWWGWCCOONF-UHFFFAOYSA-N	-1	0	322.292	0.381	20	30		DCEDRM
CO[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)[C@H](C(=O)[O-])C1	ZINC001599121934	1168066118	/nfs/dbraw/zinc/06/61/18/1168066118.db2.gz	HCIGRHWWTCFHQG-OLZOCXBDSA-N	-1	0	322.365	0.206	20	30		DCEDRM
Cc1[nH]c(C(=O)[O-])cc1C(=O)Cn1nc(C)c(C)c(C#N)c1=O	ZINC001600781564	1168294755	/nfs/dbraw/zinc/29/47/55/1168294755.db2.gz	CHUZTUUQCOTOFY-UHFFFAOYSA-N	-1	0	314.301	0.949	20	30		DCEDRM
Cc1nsc(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c1C#N	ZINC001600819835	1168477246	/nfs/dbraw/zinc/47/72/46/1168477246.db2.gz	LUXNLHMTYQIHGL-VXNVDRBHSA-N	-1	0	310.335	0.934	20	30		DCEDRM
Cc1onc(CC(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)c1C#N	ZINC001600862954	1168490893	/nfs/dbraw/zinc/49/08/93/1168490893.db2.gz	ODYZBTXVWGVUSZ-NSHDSACASA-N	-1	0	321.333	0.880	20	30		DCEDRM
Cn1c(N2CC[C@](C)(C(=O)[O-])C2)nnc1C1(C#N)CCOCC1	ZINC001600921063	1168508857	/nfs/dbraw/zinc/50/88/57/1168508857.db2.gz	ROLMGMUPOPGCLK-AWEZNQCLSA-N	-1	0	319.365	0.688	20	30		DCEDRM
Cn1c(N[C@@H]2CCC[C@H]2CC(=O)[O-])c(C#N)c(=O)n(C)c1=O	ZINC001600921466	1168508990	/nfs/dbraw/zinc/50/89/90/1168508990.db2.gz	BTELNYGZRBLQAZ-WCBMZHEXSA-N	-1	0	306.322	0.011	20	30		DCEDRM
Cn1cc(/C=C/C(=O)c2cc(C(=O)[O-])co2)c(=O)n(C)c1=O	ZINC001600946571	1168525127	/nfs/dbraw/zinc/52/51/27/1168525127.db2.gz	QYRFEBQCNXYWQJ-ONEGZZNKSA-N	-1	0	304.258	0.271	20	30		DCEDRM
Cn1ccc([C@H](NC(=O)COc2ccc(C#N)cc2)C(=O)[O-])n1	ZINC001600989476	1168547831	/nfs/dbraw/zinc/54/78/31/1168547831.db2.gz	NFTGGQKBJJAZBH-AWEZNQCLSA-N	-1	0	314.301	0.613	20	30		DCEDRM
Cn1nc(NC(=O)NCC#C[C@@H]2CCCCO2)cc1C(=O)[O-]	ZINC001601016154	1168563856	/nfs/dbraw/zinc/56/38/56/1168563856.db2.gz	PCWMKRKEUHMYAY-JTQLQIEISA-N	-1	0	306.322	0.812	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CNC(=O)OCC(F)(F)F	ZINC001601071036	1168580947	/nfs/dbraw/zinc/58/09/47/1168580947.db2.gz	PSPNWRHMSQJRKK-UHFFFAOYSA-N	-1	0	311.216	0.102	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC001601034032	1168573416	/nfs/dbraw/zinc/57/34/16/1168573416.db2.gz	JSGBYMXPGOXAAB-GFCCVEGCSA-N	-1	0	302.265	0.987	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCC(=O)N2CCCCC2)CC1	ZINC001601051319	1168577599	/nfs/dbraw/zinc/57/75/99/1168577599.db2.gz	KOSVKQLJZFIYKI-UHFFFAOYSA-N	-1	0	322.365	0.399	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCC#C[C@H]2CCCCO2)CC1	ZINC001601052001	1168577765	/nfs/dbraw/zinc/57/77/65/1168577765.db2.gz	XCOLFRQMEQNCIZ-CYBMUJFWSA-N	-1	0	319.361	0.959	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)N2CCC(CC(=O)[O-])CC2)C1	ZINC001601057510	1168578464	/nfs/dbraw/zinc/57/84/64/1168578464.db2.gz	BEDMHTTVCITMHG-CQSZACIVSA-N	-1	0	311.313	0.164	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1	ZINC001601056072	1168578614	/nfs/dbraw/zinc/57/86/14/1168578614.db2.gz	ARRMKCHJZKDRHH-UHFFFAOYSA-N	-1	0	301.302	0.672	20	30		DCEDRM
N#CC1(CNC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCC1	ZINC001601056463	1168578645	/nfs/dbraw/zinc/57/86/45/1168578645.db2.gz	JXQUILLRXBPVST-SNVBAGLBSA-N	-1	0	318.337	0.627	20	30		DCEDRM
N#CC[C@@H](NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C(F)(F)F	ZINC001601061700	1168578887	/nfs/dbraw/zinc/57/88/87/1168578887.db2.gz	FBPDPEBWFXJRHR-BWZBUEFSSA-N	-1	0	309.244	0.620	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)CCO1	ZINC001601060986	1168578952	/nfs/dbraw/zinc/57/89/52/1168578952.db2.gz	OUNAXVQTULWFCJ-XWAURUHHSA-N	-1	0	323.349	0.333	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])CCO1	ZINC001601060623	1168579404	/nfs/dbraw/zinc/57/94/04/1168579404.db2.gz	FNLCDKKWCABFJQ-ZIAGYGMSSA-N	-1	0	317.345	0.864	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1	ZINC001601062667	1168579772	/nfs/dbraw/zinc/57/97/72/1168579772.db2.gz	LSCGPPJGOSJLGM-AWEZNQCLSA-N	-1	0	324.358	0.565	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)c2ccsc2C(=O)[O-])C1	ZINC001601062919	1168580038	/nfs/dbraw/zinc/58/00/38/1168580038.db2.gz	PACMBFARMFVLCJ-UHFFFAOYSA-N	-1	0	302.333	0.095	20	30		DCEDRM
N#CCN(CCC(=O)[O-])CC(=O)NCc1cc(F)cc(F)c1	ZINC001601072090	1168580929	/nfs/dbraw/zinc/58/09/29/1168580929.db2.gz	DDFQDFZAVWKUAL-UHFFFAOYSA-N	-1	0	311.288	0.881	20	30		DCEDRM
N#CCN1CCC(NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CC1	ZINC001601073371	1168581857	/nfs/dbraw/zinc/58/18/57/1168581857.db2.gz	RCTFOABTDMFBLB-OXHZDVMGSA-N	-1	0	320.393	0.773	20	30		DCEDRM
N#CCOc1ccc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001601073779	1168581870	/nfs/dbraw/zinc/58/18/70/1168581870.db2.gz	ABTTWNOYXGOSKN-JQWIXIFHSA-N	-1	0	319.317	0.888	20	30		DCEDRM
N#CCN(CCNS(=O)(=O)c1ccccc1)CCC(=O)[O-]	ZINC001601073233	1168581875	/nfs/dbraw/zinc/58/18/75/1168581875.db2.gz	JHODXVWFWHUEIM-UHFFFAOYSA-N	-1	0	311.363	0.265	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC001601072930	1168581894	/nfs/dbraw/zinc/58/18/94/1168581894.db2.gz	TVLCHXFTHWSQAT-LLVKDONJSA-N	-1	0	323.305	0.635	20	30		DCEDRM
N#CCOc1cc(F)ccc1NC(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC001601073830	1168581928	/nfs/dbraw/zinc/58/19/28/1168581928.db2.gz	OWVOPUUWZGTATA-AWEZNQCLSA-N	-1	0	323.280	0.781	20	30		DCEDRM
N#CCN1CCC(NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CC1	ZINC001601073372	1168581947	/nfs/dbraw/zinc/58/19/47/1168581947.db2.gz	RCTFOABTDMFBLB-WVWOOGAGSA-N	-1	0	320.393	0.773	20	30		DCEDRM
N#CCNC(=O)CNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1	ZINC001601074773	1168582356	/nfs/dbraw/zinc/58/23/56/1168582356.db2.gz	PXQAXGDGQZXHBK-UHFFFAOYSA-N	-1	0	316.317	0.092	20	30		DCEDRM
N#CCc1cccc2c1CCN(CC(=O)NCCC(=O)[O-])C2	ZINC001601078017	1168582907	/nfs/dbraw/zinc/58/29/07/1168582907.db2.gz	NDKFYEGCBFZQNB-UHFFFAOYSA-N	-1	0	301.346	0.702	20	30		DCEDRM
N#CCn1c(C(=O)NCC(=O)NCC(=O)[O-])cc2ccccc21	ZINC001601078866	1168583084	/nfs/dbraw/zinc/58/30/84/1168583084.db2.gz	FZYAPAGVKSISQO-UHFFFAOYSA-N	-1	0	314.301	0.095	20	30		DCEDRM
N#CCc1cccc(NC(=O)NCCn2cc(C(=O)[O-])nn2)n1	ZINC001601077999	1168583131	/nfs/dbraw/zinc/58/31/31/1168583131.db2.gz	MNKJJKWWYUOTTJ-UHFFFAOYSA-N	-1	0	315.293	0.259	20	30		DCEDRM
N#CCc1cccc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1	ZINC001601078016	1168583218	/nfs/dbraw/zinc/58/32/18/1168583218.db2.gz	NCPZTNHANFCWSY-ONGXEEELSA-N	-1	0	304.306	0.447	20	30		DCEDRM
N#Cc1cc(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cs1	ZINC001601086898	1168583385	/nfs/dbraw/zinc/58/33/85/1168583385.db2.gz	NEKNODZHPBANPB-WPRPVWTQSA-N	-1	0	318.351	0.947	20	30		DCEDRM
N#Cc1cc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c[nH]1	ZINC001601085027	1168583419	/nfs/dbraw/zinc/58/34/19/1168583419.db2.gz	RVLNPEIPSJMVKD-SNVBAGLBSA-N	-1	0	300.278	0.263	20	30		DCEDRM
N#Cc1cc(CN2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)ccc1F	ZINC001601087707	1168583478	/nfs/dbraw/zinc/58/34/78/1168583478.db2.gz	HXUNJYMLIVOTBH-STQMWFEESA-N	-1	0	317.320	0.718	20	30		DCEDRM
N#Cc1ccc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)cc1	ZINC001601093935	1168583829	/nfs/dbraw/zinc/58/38/29/1168583829.db2.gz	CVCSOJITRLNYSU-LBPRGKRZSA-N	-1	0	302.286	0.791	20	30		DCEDRM
N#Cc1cc(NCCC(=O)NCCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC001601090685	1168583868	/nfs/dbraw/zinc/58/38/68/1168583868.db2.gz	OEDDPARDMFWIFI-UHFFFAOYSA-N	-1	0	306.278	0.859	20	30		DCEDRM
N#Cc1cc(O)cc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])c1	ZINC001601089386	1168583935	/nfs/dbraw/zinc/58/39/35/1168583935.db2.gz	PEPMDGSRJMBWGA-GFCCVEGCSA-N	-1	0	300.274	0.344	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1	ZINC001601094279	1168583942	/nfs/dbraw/zinc/58/39/42/1168583942.db2.gz	QMFUPHUZHMJBOM-ZDUSSCGKSA-N	-1	0	315.329	0.658	20	30		DCEDRM
N#Cc1cc(N2CCC(O)(C3(C(=O)[O-])CCC3)CC2)ncn1	ZINC001601090303	1168583989	/nfs/dbraw/zinc/58/39/89/1168583989.db2.gz	SZMVZGPYXQLUAT-UHFFFAOYSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])nc1	ZINC001601093639	1168584003	/nfs/dbraw/zinc/58/40/03/1168584003.db2.gz	CUAOFUCXSMTKML-GWCFXTLKSA-N	-1	0	303.318	0.953	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])ccc1Cl	ZINC001601091135	1168584022	/nfs/dbraw/zinc/58/40/22/1168584022.db2.gz	PFNAWDNIUCRXAF-VIFPVBQESA-N	-1	0	306.702	0.913	20	30		DCEDRM
N#Cc1ccc(C(=O)NCCn2cc(C(=O)[O-])nn2)c(F)c1	ZINC001601092474	1168584203	/nfs/dbraw/zinc/58/42/03/1168584203.db2.gz	QVWSNCPZSDGJGG-UHFFFAOYSA-N	-1	0	303.253	0.417	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)s1	ZINC001601100015	1168584743	/nfs/dbraw/zinc/58/47/43/1168584743.db2.gz	HFCXTAUUVCPWCS-BDAKNGLRSA-N	-1	0	309.347	0.597	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c(F)c1	ZINC001601099538	1168584598	/nfs/dbraw/zinc/58/45/98/1168584598.db2.gz	BTILWAJGTBBTFE-NEPJUHHUSA-N	-1	0	321.308	0.674	20	30		DCEDRM
N#Cc1ccc(CN2C[C@H](O)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC001601100927	1168585122	/nfs/dbraw/zinc/58/51/22/1168585122.db2.gz	REIPXORFEZVHDK-NWDGAFQWSA-N	-1	0	305.290	0.734	20	30		DCEDRM
N#Cc1ccc(N2CCN(c3ncncc3C(=O)[O-])CC2)cn1	ZINC001601106426	1168586099	/nfs/dbraw/zinc/58/60/99/1168586099.db2.gz	SXXWPDBKVUMRFE-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H](CC2CC2)C(=O)[O-])nc1	ZINC001601111415	1168586882	/nfs/dbraw/zinc/58/68/82/1168586882.db2.gz	BNJDUUMBBYQBFY-NSHDSACASA-N	-1	0	309.347	0.732	20	30		DCEDRM
N#Cc1cccc(-c2nnc(COC(=O)COCC(=O)[O-])o2)c1	ZINC001601116492	1168587738	/nfs/dbraw/zinc/58/77/38/1168587738.db2.gz	VKMRTEIMZPJSFD-UHFFFAOYSA-N	-1	0	317.257	0.753	20	30		DCEDRM
N#Cc1cccc2c1CN(S(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C2	ZINC001601124179	1168587970	/nfs/dbraw/zinc/58/79/70/1168587970.db2.gz	IPDNAXHQFLFCBY-UHFFFAOYSA-N	-1	0	318.314	0.684	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1	ZINC001601122051	1168588080	/nfs/dbraw/zinc/58/80/80/1168588080.db2.gz	DASFODCXVIUIJS-NWDGAFQWSA-N	-1	0	310.331	0.220	20	30		DCEDRM
N#Cc1cccc2c1CN(C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C2	ZINC001601124706	1168588308	/nfs/dbraw/zinc/58/83/08/1168588308.db2.gz	VZJNPGYOPPQJFB-HAQNSBGRSA-N	-1	0	313.313	0.380	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCC(=O)[O-])c(=O)c2sccc21	ZINC001601129200	1168589279	/nfs/dbraw/zinc/58/92/79/1168589279.db2.gz	QQCFTUHZNQZIEV-UHFFFAOYSA-N	-1	0	305.315	0.526	20	30		DCEDRM
N#Cc1ccncc1C(=O)OCCc1cn(CC(=O)[O-])nn1	ZINC001601128166	1168590006	/nfs/dbraw/zinc/59/00/06/1168590006.db2.gz	DFUNWNJSPYXIQI-UHFFFAOYSA-N	-1	0	301.262	0.029	20	30		DCEDRM
N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c(F)c1	ZINC001601131106	1168591693	/nfs/dbraw/zinc/59/16/93/1168591693.db2.gz	ZRXPZUAKFMQSID-GWOFURMSSA-N	-1	0	318.308	0.872	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)c1	ZINC001601130589	1168591923	/nfs/dbraw/zinc/59/19/23/1168591923.db2.gz	JEKJDTDBQLGMCE-KXNHARMFSA-N	-1	0	307.331	0.341	20	30		DCEDRM
O=C([O-])c1cnc(NC2CC(CNC(=O)C#CC3CC3)C2)nc1	ZINC001601224107	1168666618	/nfs/dbraw/zinc/66/66/18/1168666618.db2.gz	QMDPIZRDBXNOKB-UHFFFAOYSA-N	-1	0	314.345	0.895	20	30		DCEDRM
O=C([O-])[C@@H](NC(=O)c1cccc(C#CCO)c1)C1CCOCC1	ZINC001601394121	1168732017	/nfs/dbraw/zinc/73/20/17/1168732017.db2.gz	HISHILSYRKHLQO-HNNXBMFYSA-N	-1	0	317.341	0.640	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1CCOCC1	ZINC001602678902	1169156946	/nfs/dbraw/zinc/15/69/46/1169156946.db2.gz	RJOUBGQBAIAJLO-GRYCIOLGSA-N	-1	0	301.364	0.197	20	30		DCEDRM
C#CC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C(=O)[O-]	ZINC001602687266	1169158072	/nfs/dbraw/zinc/15/80/72/1169158072.db2.gz	LKCTXKQKZHXXCK-ZDUSSCGKSA-N	-1	0	315.329	0.801	20	30		DCEDRM
C#CC[C@H](COC)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001602682587	1169158100	/nfs/dbraw/zinc/15/81/00/1169158100.db2.gz	BTGFOUWMZSCIPY-SSDOTTSWSA-N	-1	0	321.738	0.948	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1	ZINC001602683756	1169158308	/nfs/dbraw/zinc/15/83/08/1169158308.db2.gz	VEKCMYPQYYJVGH-VIFPVBQESA-N	-1	0	309.322	0.945	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cn(C)nc1-c1cnn(CC)c1)C(=O)[O-]	ZINC001602693409	1169162633	/nfs/dbraw/zinc/16/26/33/1169162633.db2.gz	SIEAKXKIVBCTCA-GFCCVEGCSA-N	-1	0	315.333	0.510	20	30		DCEDRM
C#CC[C@H]1NC(=O)N(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1=O	ZINC001602702492	1169166338	/nfs/dbraw/zinc/16/63/38/1169166338.db2.gz	HBXWBUQOEZLRRS-LLVKDONJSA-N	-1	0	314.280	0.450	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001602716041	1169168670	/nfs/dbraw/zinc/16/86/70/1169168670.db2.gz	YRKNNRBZYLOJNY-UHFFFAOYSA-N	-1	0	316.288	0.948	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)NCC(C)(C)C(=O)[O-]	ZINC001602734436	1169175896	/nfs/dbraw/zinc/17/58/96/1169175896.db2.gz	LWAKLYGRKBRZNF-UHFFFAOYSA-N	-1	0	318.329	0.864	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001602734508	1169176287	/nfs/dbraw/zinc/17/62/87/1169176287.db2.gz	NXYVJQUYBSURNG-NWDGAFQWSA-N	-1	0	318.329	0.998	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)c2cc(C(=O)[O-])on2)c1	ZINC001602742459	1169176774	/nfs/dbraw/zinc/17/67/74/1169176774.db2.gz	TWYJVTHCXVZZOW-UHFFFAOYSA-N	-1	0	313.269	0.723	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC001602746614	1169178184	/nfs/dbraw/zinc/17/81/84/1169178184.db2.gz	DQVBNCQDCUKEAL-GHMZBOCLSA-N	-1	0	303.380	0.689	20	30		DCEDRM
C=C(C)Cn1c([C@H](C)O)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001602770755	1169182692	/nfs/dbraw/zinc/18/26/92/1169182692.db2.gz	BOVYYZBHQNIYMB-VWYCJHECSA-N	-1	0	310.354	0.586	20	30		DCEDRM
C=C(C)Cn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1C(C)(C)C#N	ZINC001602771215	1169182758	/nfs/dbraw/zinc/18/27/58/1169182758.db2.gz	OPDXZDOEHIYQKY-LLVKDONJSA-N	-1	0	319.365	0.945	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001602805566	1169186956	/nfs/dbraw/zinc/18/69/56/1169186956.db2.gz	BJYFLTAQMWYSIR-MGCOHNPYSA-N	-1	0	304.350	0.868	20	30		DCEDRM
C=C[C@H](O)C(=O)O[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001602821302	1169188869	/nfs/dbraw/zinc/18/88/69/1169188869.db2.gz	ZHMXWKIWFFHOFD-IUCAKERBSA-N	-1	0	311.315	0.642	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OCC	ZINC001602841739	1169189933	/nfs/dbraw/zinc/18/99/33/1169189933.db2.gz	FCDRYLHBKXZLFI-MRVPVSSYSA-N	-1	0	317.319	0.764	20	30		DCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001602829224	1169190166	/nfs/dbraw/zinc/19/01/66/1169190166.db2.gz	XZCWTTAJOKNIEJ-ABAIWWIYSA-N	-1	0	310.350	0.256	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001602842546	1169192357	/nfs/dbraw/zinc/19/23/57/1169192357.db2.gz	KLHWYEWKBXGJLQ-QJPTWQEYSA-N	-1	0	305.396	0.734	20	30		DCEDRM
C=CCN1CC[C@H](N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])C1=O	ZINC001602897662	1169200727	/nfs/dbraw/zinc/20/07/27/1169200727.db2.gz	BWPDFZCDHCGVIR-WOPDTQHZSA-N	-1	0	310.350	0.112	20	30		DCEDRM
C=CCOCC(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001602906306	1169202096	/nfs/dbraw/zinc/20/20/96/1169202096.db2.gz	DGLHMQAABPDJTD-QWRGUYRKSA-N	-1	0	310.350	0.065	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC001602907059	1169202102	/nfs/dbraw/zinc/20/21/02/1169202102.db2.gz	VCKDOHOCDQKXOO-QMMMGPOBSA-N	-1	0	301.324	0.074	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnc2c(cnn2C)c1)C(=O)[O-]	ZINC001602913102	1169203564	/nfs/dbraw/zinc/20/35/64/1169203564.db2.gz	IBNIXBLYKSLCAV-NSHDSACASA-N	-1	0	304.306	0.354	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1sccc1-n1ccnn1)C(=O)[O-]	ZINC001602914741	1169204191	/nfs/dbraw/zinc/20/41/91/1169204191.db2.gz	BURAGHQBYQCUMP-SECBINFHSA-N	-1	0	322.346	0.714	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccn(CC(C)C)c1=O)C(=O)[O-]	ZINC001602913510	1169204242	/nfs/dbraw/zinc/20/42/42/1169204242.db2.gz	SWXVKZPVODJZTE-ZDUSSCGKSA-N	-1	0	322.361	0.890	20	30		DCEDRM
C=CCn1c(C)cc(C(=O)CN2CC[C@@](O)(C(=O)[O-])C2)c1C	ZINC001602931858	1169210306	/nfs/dbraw/zinc/21/03/06/1169210306.db2.gz	DEYHYXSMPARISC-INIZCTEOSA-N	-1	0	306.362	0.995	20	30		DCEDRM
C=CCn1c([C@@H](O)C=C)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001602933547	1169210356	/nfs/dbraw/zinc/21/03/56/1169210356.db2.gz	ZAVXDPGQFKXRJB-MNOVXSKESA-N	-1	0	308.338	0.363	20	30		DCEDRM
C=CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602930913	1169210517	/nfs/dbraw/zinc/21/05/17/1169210517.db2.gz	HYOSCPCOBUWSAQ-NSHDSACASA-N	-1	0	318.337	0.154	20	30		DCEDRM
C=CCn1cc(CNC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)nn1	ZINC001602937962	1169211678	/nfs/dbraw/zinc/21/16/78/1169211678.db2.gz	PSWLYHDRHXHDBP-NHYWBVRUSA-N	-1	0	319.365	0.860	20	30		DCEDRM
C=CCn1c(C[C@H](O)C2CC2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602935208	1169212624	/nfs/dbraw/zinc/21/26/24/1169212624.db2.gz	BLMMKWCSJUWKJU-NWDGAFQWSA-N	-1	0	322.365	0.067	20	30		DCEDRM
C=C[C@H](CO)NC(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC001602944627	1169216619	/nfs/dbraw/zinc/21/66/19/1169216619.db2.gz	DRTRRPNCSFEOIT-MRVPVSSYSA-N	-1	0	308.290	0.840	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001602945348	1169216783	/nfs/dbraw/zinc/21/67/83/1169216783.db2.gz	HKTQJKVHOCNIKM-GFCCVEGCSA-N	-1	0	318.329	0.522	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)sc1C(=O)[O-]	ZINC001602946197	1169217864	/nfs/dbraw/zinc/21/78/64/1169217864.db2.gz	QUHGPDQBFPCMBV-VIFPVBQESA-N	-1	0	324.358	0.584	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001602946132	1169217950	/nfs/dbraw/zinc/21/79/50/1169217950.db2.gz	PAHJZWTZTXIEGA-BWAOXVRWSA-N	-1	0	324.377	0.472	20	30		DCEDRM
CC(C)(C)C[C@@H](O)CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001603070780	1169244333	/nfs/dbraw/zinc/24/43/33/1169244333.db2.gz	JGJBRWZFCBYCCA-ZETCQYMHSA-N	-1	0	318.341	0.587	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001603129515	1169249922	/nfs/dbraw/zinc/24/99/22/1169249922.db2.gz	JJMXXYGPCHQGRL-HBNTYKKESA-N	-1	0	303.384	0.365	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@H](CN(C)c2ccnc(C(=O)[O-])n2)C1	ZINC001603129923	1169251182	/nfs/dbraw/zinc/25/11/82/1169251182.db2.gz	PHOVWGGQBYIDLZ-GHMZBOCLSA-N	-1	0	317.349	0.619	20	30		DCEDRM
C[C@H](C(=O)N[C@H](CC1CCOCC1)C(=O)[O-])n1cnc(C#N)n1	ZINC001603155545	1169258679	/nfs/dbraw/zinc/25/86/79/1169258679.db2.gz	PXOVULXYJGMNEL-MWLCHTKSSA-N	-1	0	321.337	0.097	20	30		DCEDRM
C[C@@H](C(=O)N[C@H](CC1CCOCC1)C(=O)[O-])n1cnc(C#N)n1	ZINC001603155541	1169259288	/nfs/dbraw/zinc/25/92/88/1169259288.db2.gz	PXOVULXYJGMNEL-GXSJLCMTSA-N	-1	0	321.337	0.097	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COc1cccnc1-c1nn[nH]n1	ZINC001603203402	1169273929	/nfs/dbraw/zinc/27/39/29/1169273929.db2.gz	SWAOWYLRXWUWAK-CQSZACIVSA-N	-1	0	315.337	0.695	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1ccnc(C#N)c1)C(=O)[O-]	ZINC001603841901	1169410012	/nfs/dbraw/zinc/41/00/12/1169410012.db2.gz	PJUGYDYMURXFHA-LBPRGKRZSA-N	-1	0	318.333	0.299	20	30		DCEDRM
CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001603856384	1169413959	/nfs/dbraw/zinc/41/39/59/1169413959.db2.gz	GZUWBADXGGDBAB-QJPTWQEYSA-N	-1	0	319.365	0.851	20	30		DCEDRM
CCC(CC)(CO)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001604019020	1169472261	/nfs/dbraw/zinc/47/22/61/1169472261.db2.gz	BCXFWZDUYJFPJZ-UHFFFAOYSA-N	-1	0	304.314	0.199	20	30		DCEDRM
CC[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H](CC)O1	ZINC001604112127	1169494512	/nfs/dbraw/zinc/49/45/12/1169494512.db2.gz	QPAMMMYWSSNYCV-AOOOYVTPSA-N	-1	0	314.353	0.922	20	30		DCEDRM
Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCC#CCO)n2)c1	ZINC001626173757	1169508877	/nfs/dbraw/zinc/50/88/77/1169508877.db2.gz	HCGAPJUQSPUJSA-UHFFFAOYSA-N	-1	0	303.293	0.751	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC001604498329	1169605131	/nfs/dbraw/zinc/60/51/31/1169605131.db2.gz	SPFLWHCJRUOMTN-RDRICISKSA-N	-1	0	321.333	0.226	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCc1cccc(C#N)c1	ZINC001604626430	1169635890	/nfs/dbraw/zinc/63/58/90/1169635890.db2.gz	MGXFPSXEHGRLJF-GXFFZTMASA-N	-1	0	315.329	0.496	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1CCS(=O)(=O)c1ccc(C#N)cn1	ZINC001604635784	1169638385	/nfs/dbraw/zinc/63/83/85/1169638385.db2.gz	IJOREDQMNXFSCX-CMPLNLGQSA-N	-1	0	323.374	0.522	20	30		DCEDRM
C[C@H]1[C@H](Nc2ccnc(C(=O)[O-])n2)CCN1C(=O)C#CC1CC1	ZINC001604647328	1169642016	/nfs/dbraw/zinc/64/20/16/1169642016.db2.gz	XCBUJXKIESAWLT-CMPLNLGQSA-N	-1	0	314.345	0.411	20	30		DCEDRM
CN(C)c1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cc1	ZINC001604700231	1169658930	/nfs/dbraw/zinc/65/89/30/1169658930.db2.gz	DYZHCNGJLALILN-UHFFFAOYSA-N	-1	0	323.320	0.780	20	30		DCEDRM
CCN1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC1=O	ZINC001605484849	1169935800	/nfs/dbraw/zinc/93/58/00/1169935800.db2.gz	ADJKLPXGCKTYAI-UHFFFAOYSA-N	-1	0	323.330	0.067	20	30		DCEDRM
CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1nccnc1C#N	ZINC001606121716	1170083749	/nfs/dbraw/zinc/08/37/49/1170083749.db2.gz	ODPRPWGGXPQUGA-ZJUUUORDSA-N	-1	0	303.322	0.011	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)CC1(C#N)CCCC1	ZINC001606326414	1170159253	/nfs/dbraw/zinc/15/92/53/1170159253.db2.gz	WTCUZQYSIXFHIT-VIFPVBQESA-N	-1	0	318.351	0.006	20	30		DCEDRM
N#CC1(COC(=O)COc2ccc(-c3nn[nH]n3)cc2)COC1	ZINC001606343468	1170163620	/nfs/dbraw/zinc/16/36/20/1170163620.db2.gz	PAMHKKBHVPNNEF-UHFFFAOYSA-N	-1	0	315.289	0.329	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2cccc(CC#N)c2)C[C@@H]1C(=O)[O-]	ZINC001606427144	1170197071	/nfs/dbraw/zinc/19/70/71/1170197071.db2.gz	WBXPETCZHKBHCM-STQMWFEESA-N	-1	0	316.313	0.698	20	30		DCEDRM
COC(=O)c1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001606572821	1170236506	/nfs/dbraw/zinc/23/65/06/1170236506.db2.gz	WFMVBSVCUQGWCR-UHFFFAOYSA-N	-1	0	317.301	0.699	20	30		DCEDRM
COCc1ccccc1CS(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001606969023	1170341879	/nfs/dbraw/zinc/34/18/79/1170341879.db2.gz	YAAHLYBEXLJMFG-UHFFFAOYSA-N	-1	0	312.347	0.573	20	30		DCEDRM
COc1cc(C#N)ccc1OCCn1ncc(C(=O)[O-])cc1=O	ZINC001607065038	1170376495	/nfs/dbraw/zinc/37/64/95/1170376495.db2.gz	KWFHAHAXBFGOGW-UHFFFAOYSA-N	-1	0	315.285	0.901	20	30		DCEDRM
COc1cc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])ccc1C#N	ZINC001607079543	1170382465	/nfs/dbraw/zinc/38/24/65/1170382465.db2.gz	HKKVGNOCGMLJGP-DGCLKSJQSA-N	-1	0	304.302	0.786	20	30		DCEDRM
COc1cccc(C2=NO[C@@H](C(=O)N(CC#N)CC(=O)[O-])C2)c1	ZINC001607315205	1170426078	/nfs/dbraw/zinc/42/60/78/1170426078.db2.gz	AKUJQEZHGWMFNG-CYBMUJFWSA-N	-1	0	317.301	0.625	20	30		DCEDRM
C[S@@](=O)CCN1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001607384112	1170443396	/nfs/dbraw/zinc/44/33/96/1170443396.db2.gz	AJFJVGJTXUDWEN-JOCHJYFZSA-N	-1	0	322.390	0.152	20	30		DCEDRM
C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001607472365	1170462810	/nfs/dbraw/zinc/46/28/10/1170462810.db2.gz	FEMJNPYCUGRNQS-GWCFXTLKSA-N	-1	0	303.318	0.942	20	30		DCEDRM
Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NC[C@@H](C)C#N	ZINC001607701378	1170497374	/nfs/dbraw/zinc/49/73/74/1170497374.db2.gz	FTBRLUROHQYQDM-VIFPVBQESA-N	-1	0	319.317	0.673	20	30		DCEDRM
Cc1ccc(C(=O)/C=C\C(=O)N2CCN(CC(=O)[O-])CC2)cc1	ZINC001607725340	1170500012	/nfs/dbraw/zinc/50/00/12/1170500012.db2.gz	WCVSWMVGUMEQDQ-SREVYHEPSA-N	-1	0	316.357	0.963	20	30		DCEDRM
Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c(C(=O)[O-])c1	ZINC001607795751	1170507133	/nfs/dbraw/zinc/50/71/33/1170507133.db2.gz	GDOFQGADPIAUMR-JTQLQIEISA-N	-1	0	317.301	0.383	20	30		DCEDRM
Cc1onc(CC(=O)N2CCSC[C@H](C(=O)[O-])C2)c1C#N	ZINC001608058112	1170563025	/nfs/dbraw/zinc/56/30/25/1170563025.db2.gz	FEWUBHKDOYONNG-SECBINFHSA-N	-1	0	309.347	0.673	20	30		DCEDRM
Cn1nc(C(=O)N(CC#N)CCC(=O)[O-])cc1C(F)(F)F	ZINC001608139129	1170591308	/nfs/dbraw/zinc/59/13/08/1170591308.db2.gz	AZKYLNBBBPHTID-UHFFFAOYSA-N	-1	0	304.228	0.879	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc[nH]c(=O)c1Br	ZINC001608184198	1170602788	/nfs/dbraw/zinc/60/27/88/1170602788.db2.gz	RGUKWJLHKXIAHT-UHFFFAOYSA-N	-1	0	314.095	0.600	20	30		DCEDRM
N#CCCN(Cc1cccnc1)Cn1nc(C(=O)[O-])ccc1=O	ZINC001608184697	1170611964	/nfs/dbraw/zinc/61/19/64/1170611964.db2.gz	SDZZUBHGOBDGKW-UHFFFAOYSA-N	-1	0	313.317	0.710	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1	ZINC001608188981	1170612385	/nfs/dbraw/zinc/61/23/85/1170612385.db2.gz	SQYSDFBXNTYRNZ-OLZOCXBDSA-N	-1	0	318.329	0.425	20	30		DCEDRM
N#CCc1ccc(CS(=O)(=O)NC[C@@H](O)CC(=O)[O-])cc1	ZINC001608188545	1170612454	/nfs/dbraw/zinc/61/24/54/1170612454.db2.gz	PYTURRDLBAPQOH-LBPRGKRZSA-N	-1	0	312.347	0.008	20	30		DCEDRM
N#Cc1c[nH]c2cc(C(=O)N[C@@H](Cn3cncn3)C(=O)[O-])ccc12	ZINC001608195682	1170613760	/nfs/dbraw/zinc/61/37/60/1170613760.db2.gz	VQISYSSXFRHQMK-ZDUSSCGKSA-N	-1	0	324.300	0.514	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)NC1CC(C(=O)[O-])C1	ZINC001608198024	1170613910	/nfs/dbraw/zinc/61/39/10/1170613910.db2.gz	IMFSIKRTUKUYSL-UHFFFAOYSA-N	-1	0	312.322	0.980	20	30		DCEDRM
N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1	ZINC001608201895	1170614552	/nfs/dbraw/zinc/61/45/52/1170614552.db2.gz	HVRRUNQHZFMRDG-KGLIPLIRSA-N	-1	0	317.345	0.257	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@@H]2C(=O)[O-])cc1	ZINC001608206316	1170614713	/nfs/dbraw/zinc/61/47/13/1170614713.db2.gz	UDICXLNAJGQNBU-GFCCVEGCSA-N	-1	0	322.342	0.159	20	30		DCEDRM
N#Cc1cccc(C2(C(=O)N3CC[C@](O)(C(=O)[O-])C3)CC2)c1	ZINC001608216218	1170616961	/nfs/dbraw/zinc/61/69/61/1170616961.db2.gz	GIUQMZNDRDHSIZ-MRXNPFEDSA-N	-1	0	300.314	0.638	20	30		DCEDRM
N#Cc1cccc(C2(C(=O)N3CCO[C@@H](C(=O)[O-])C3)CC2)c1	ZINC001608216917	1170617641	/nfs/dbraw/zinc/61/76/41/1170617641.db2.gz	ZZGMFKFSCPLVOZ-CYBMUJFWSA-N	-1	0	300.314	0.902	20	30		DCEDRM
N#Cc1cnn2cc(CN3CCc4[nH]nc(C(=O)[O-])c4C3)cnc12	ZINC001608222382	1170618078	/nfs/dbraw/zinc/61/80/78/1170618078.db2.gz	QMJUUZPVPLROOK-UHFFFAOYSA-N	-1	0	323.316	0.581	20	30		DCEDRM
N#Cc1cncc(CNS(=O)(=O)c2csnc2C(=O)[O-])c1	ZINC001608222920	1170618341	/nfs/dbraw/zinc/61/83/41/1170618341.db2.gz	NGBZOOQQJKTLKB-UHFFFAOYSA-N	-1	0	324.343	0.586	20	30		DCEDRM
N#Cc1cccnc1N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001608221142	1170618548	/nfs/dbraw/zinc/61/85/48/1170618548.db2.gz	COWICMKWDKPYAN-JHEVNIALSA-N	-1	0	314.345	0.981	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)NCc1nc(C(=O)[O-])co1	ZINC001608224866	1170619646	/nfs/dbraw/zinc/61/96/46/1170619646.db2.gz	IAMICUDBJOZANE-UHFFFAOYSA-N	-1	0	313.316	0.784	20	30		DCEDRM
O=C([O-])c1ccc(S(=O)(=O)O[C@H]2CNOC2)cc1Cl	ZINC001608913950	1170771626	/nfs/dbraw/zinc/77/16/26/1170771626.db2.gz	PEGVMXLSLNGGPS-LURJTMIESA-N	-1	0	307.711	0.647	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(F)c1-c1nn[nH]n1	ZINC001609059040	1170794195	/nfs/dbraw/zinc/79/41/95/1170794195.db2.gz	LSTXTIFZYYSWLX-UHFFFAOYSA-N	-1	0	311.298	0.251	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])[C@@H]1CCCO1	ZINC001609057612	1170794440	/nfs/dbraw/zinc/79/44/40/1170794440.db2.gz	ATBOIUYVXDNVBW-ZDEQEGDKSA-N	-1	0	315.391	0.730	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC001609105283	1170811640	/nfs/dbraw/zinc/81/16/40/1170811640.db2.gz	RZFNLBVZPGQHQN-LBPRGKRZSA-N	-1	0	311.359	0.746	20	30		DCEDRM
C#CCCN1CCN(C(=O)c2c(C)coc2CC(=O)[O-])CC1	ZINC001609106746	1170812266	/nfs/dbraw/zinc/81/22/66/1170812266.db2.gz	NVSQNTWARUKWHI-UHFFFAOYSA-N	-1	0	304.346	0.996	20	30		DCEDRM
C#CCCN(CC(F)(F)F)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC001609106680	1170812482	/nfs/dbraw/zinc/81/24/82/1170812482.db2.gz	LGKJKYAVKPPWKP-UHFFFAOYSA-N	-1	0	304.228	0.391	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(CC)cc1C(=O)[O-]	ZINC001609153016	1170829107	/nfs/dbraw/zinc/82/91/07/1170829107.db2.gz	SQEPZOOIQFLMHA-UHFFFAOYSA-N	-1	0	312.325	0.981	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)NCc1cc(C(=O)[O-])c(C)o1	ZINC001609174676	1170845056	/nfs/dbraw/zinc/84/50/56/1170845056.db2.gz	BPMWVBGRDTWKAC-UHFFFAOYSA-N	-1	0	324.358	0.385	20	30		DCEDRM
C#CCSCCNS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001609174818	1170845348	/nfs/dbraw/zinc/84/53/48/1170845348.db2.gz	MKQIAQXQJFBNNI-UHFFFAOYSA-N	-1	0	305.421	0.917	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N(C)CC(=O)N1CCC(C(=O)OCC)CC1	ZINC001609262271	1170902828	/nfs/dbraw/zinc/90/28/28/1170902828.db2.gz	NJUAKHWFIVDPNW-GFCCVEGCSA-N	-1	0	312.366	0.359	20	30		DCEDRM
C=CCCS(=O)(=O)N1[C@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001609346004	1170948261	/nfs/dbraw/zinc/94/82/61/1170948261.db2.gz	WEVJCYDGVZIOCT-RHYQMDGZSA-N	-1	0	303.380	0.987	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC001609432180	1170974419	/nfs/dbraw/zinc/97/44/19/1170974419.db2.gz	IFDGQCQGCBELOZ-LBPRGKRZSA-N	-1	0	306.318	0.100	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)[O-]	ZINC001609432260	1170974719	/nfs/dbraw/zinc/97/47/19/1170974719.db2.gz	KZIVKCCOHHYKLU-OLZOCXBDSA-N	-1	0	319.313	0.540	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(C)c1C(F)F)C(=O)[O-]	ZINC001609443315	1170979075	/nfs/dbraw/zinc/97/90/75/1170979075.db2.gz	ZDKYBMCKNVJQAT-MRVPVSSYSA-N	-1	0	303.265	0.743	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cncc(F)c1)C(=O)[O-]	ZINC001609452283	1170983549	/nfs/dbraw/zinc/98/35/49/1170983549.db2.gz	FOHLCUDWHWHAKZ-JTQLQIEISA-N	-1	0	304.299	0.155	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC001609488581	1170995264	/nfs/dbraw/zinc/99/52/64/1170995264.db2.gz	FSQAWBVAUMFQFP-ZDUSSCGKSA-N	-1	0	320.345	0.724	20	30		DCEDRM
C=CCn1cc(CNC(=O)NCc2ccc(C(=O)[O-])o2)nn1	ZINC001609485508	1170996357	/nfs/dbraw/zinc/99/63/57/1170996357.db2.gz	VDEVPBLEXVUYOM-UHFFFAOYSA-N	-1	0	305.294	0.755	20	30		DCEDRM
C[C@H](C(=O)N(CCC(=O)[O-])C1CCOCC1)n1cnc(C#N)n1	ZINC001609632322	1171055483	/nfs/dbraw/zinc/05/54/83/1171055483.db2.gz	KNTLLKNBZUCLDO-SNVBAGLBSA-N	-1	0	321.337	0.193	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC001609702273	1171070033	/nfs/dbraw/zinc/07/00/33/1171070033.db2.gz	VVJBZLKOCSTCDP-JTQLQIEISA-N	-1	0	323.374	0.965	20	30		DCEDRM
CC[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC001609919075	1171121662	/nfs/dbraw/zinc/12/16/62/1171121662.db2.gz	PHZNWIGERBLVME-MRVPVSSYSA-N	-1	0	307.281	0.863	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC001610111207	1171160223	/nfs/dbraw/zinc/16/02/23/1171160223.db2.gz	YCNNMCLXPUTRAZ-HNNXBMFYSA-N	-1	0	309.366	0.708	20	30		DCEDRM
COc1cc(NC(=O)C(=O)N[C@@H](C)CC#N)ccc1C(=O)[O-]	ZINC001610299918	1171217422	/nfs/dbraw/zinc/21/74/22/1171217422.db2.gz	NNZARFBZLCMLRB-QMMMGPOBSA-N	-1	0	305.290	0.750	20	30		DCEDRM
COc1ccc(C(=O)[O-])c(NC(=O)C(=O)NCC2(C#N)CC2)c1	ZINC001610317348	1171219532	/nfs/dbraw/zinc/21/95/32/1171219532.db2.gz	HROIJNDBSCZWGQ-UHFFFAOYSA-N	-1	0	317.301	0.752	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC001610396175	1171229431	/nfs/dbraw/zinc/22/94/31/1171229431.db2.gz	AQIXZWVRQWTCOP-UHFFFAOYSA-N	-1	0	320.349	0.054	20	30		DCEDRM
Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC[C@](O)(CC#N)C1	ZINC001610409068	1171231873	/nfs/dbraw/zinc/23/18/73/1171231873.db2.gz	WVHBOJUGIUGEPR-CQSZACIVSA-N	-1	0	324.358	0.732	20	30		DCEDRM
Cc1cc(C(=O)[O-])nc(NCCNC(=O)C2N=CC=CC2=O)n1	ZINC001610446474	1171236846	/nfs/dbraw/zinc/23/68/46/1171236846.db2.gz	VOZZIAFQWBVVLG-QXMHVHEDSA-N	-1	0	317.305	0.422	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1C#N	ZINC001610524271	1171246642	/nfs/dbraw/zinc/24/66/42/1171246642.db2.gz	DEPGMHZBEXCRQI-MNOVXSKESA-N	-1	0	324.358	0.323	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1C#N	ZINC001610525347	1171246816	/nfs/dbraw/zinc/24/68/16/1171246816.db2.gz	SWYXCEYJAWZSBJ-YPMHNXCESA-N	-1	0	324.358	0.465	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c1C#N	ZINC001610588976	1171261705	/nfs/dbraw/zinc/26/17/05/1171261705.db2.gz	URPRTSQLWRPXBA-CYBMUJFWSA-N	-1	0	307.306	0.081	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)C1	ZINC001610620899	1171271089	/nfs/dbraw/zinc/27/10/89/1171271089.db2.gz	QEWLHEMAEGQOTP-UHFFFAOYSA-N	-1	0	302.258	0.807	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])C1	ZINC001610620698	1171271321	/nfs/dbraw/zinc/27/13/21/1171271321.db2.gz	MDKJBKOKMURPFU-UHFFFAOYSA-N	-1	0	301.711	0.577	20	30		DCEDRM
N#CCc1ccc(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)cc1	ZINC001610624674	1171271744	/nfs/dbraw/zinc/27/17/44/1171271744.db2.gz	ZEWQOFHQGVEDFJ-UHFFFAOYSA-N	-1	0	323.312	0.792	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCSC[C@H](C(=O)[O-])C2)cc1	ZINC001610627210	1171272622	/nfs/dbraw/zinc/27/26/22/1171272622.db2.gz	BUHGRXAKYBAVAW-CHWSQXEVSA-N	-1	0	320.370	0.868	20	30		DCEDRM
N#Cc1ccnc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c1	ZINC001610633761	1171273955	/nfs/dbraw/zinc/27/39/55/1171273955.db2.gz	XMKAIGLDMPHJSD-XHDPSFHLSA-N	-1	0	301.302	0.517	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CN1CCC([C@H](O)C(=O)[O-])CC1	ZINC001610634022	1171274125	/nfs/dbraw/zinc/27/41/25/1171274125.db2.gz	ZYGHSNTVDUXADX-LBPRGKRZSA-N	-1	0	323.374	0.716	20	30		DCEDRM
O=C([O-])C(=O)CCCOC(=O)C#Cc1ccc2c(c1)OCO2	ZINC001610652181	1171282381	/nfs/dbraw/zinc/28/23/81/1171282381.db2.gz	KBNMBLUQLJISJP-UHFFFAOYSA-N	-1	0	304.254	0.744	20	30		DCEDRM
O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)CC#Cc1ccccc1	ZINC001610783124	1171322881	/nfs/dbraw/zinc/32/28/81/1171322881.db2.gz	MZVFCHQFSOTJIU-AWEZNQCLSA-N	-1	0	314.341	0.620	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2ccc([N+](=O)[O-])c(F)c2F)c(C#N)c1=O	ZINC001612432652	1171362026	/nfs/dbraw/zinc/36/20/26/1171362026.db2.gz	MPRBGFPSFUWCMD-UHFFFAOYSA-N	-1	0	324.199	0.924	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Nc2cccc(F)n2)c(=O)[n-]c1=O	ZINC001623542468	1171440797	/nfs/dbraw/zinc/44/07/97/1171440797.db2.gz	ZSTJJBNQXJNMMJ-UHFFFAOYSA-N	-1	0	318.268	0.176	20	30		DCEDRM
C=C[C@H](COC)NC(=O)c1nc[n-]c(=O)c1Br	ZINC001633527546	1171644663	/nfs/dbraw/zinc/64/46/63/1171644663.db2.gz	UACLSRAXZHYLGT-ZCFIWIBFSA-N	-1	0	302.128	0.876	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCc3c([nH]c4ccccc43)C2)c(C#N)c1=O	ZINC001639738633	1171849601	/nfs/dbraw/zinc/84/96/01/1171849601.db2.gz	XJQCXAHRFHANIF-UHFFFAOYSA-N	-1	0	321.340	0.989	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@]2(F)CCOC2)cc1	ZINC001647187978	1172729675	/nfs/dbraw/zinc/72/96/75/1172729675.db2.gz	HUYNVAQPLCBWTN-CYBMUJFWSA-N	-1	0	312.322	0.633	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@@H](Cc3nccs3)C2)c(C#N)c1=O	ZINC001647633485	1173008943	/nfs/dbraw/zinc/00/89/43/1173008943.db2.gz	SEZGSGLXOFPJIU-VIFPVBQESA-N	-1	0	317.374	0.471	20	30		DCEDRM
CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1Cc2ccc(C#N)cc2C1	ZINC001647707841	1173044289	/nfs/dbraw/zinc/04/42/89/1173044289.db2.gz	AHOPQAPNJHTVOC-UHFFFAOYSA-N	-1	0	321.344	0.914	20	30		DCEDRM
C[C@@H](CCCNCC#N)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001649469435	1173143430	/nfs/dbraw/zinc/14/34/30/1173143430.db2.gz	GKMDVJGNLZYCEY-VIFPVBQESA-N	-1	0	322.331	0.842	20	30		DCEDRM
Cn1ncc2cc(S(=O)(=O)[N-]C(=O)CC(C)(C)C#N)cnc21	ZINC001649777158	1173217076	/nfs/dbraw/zinc/21/70/76/1173217076.db2.gz	OQYUYRSTCINYTF-UHFFFAOYSA-N	-1	0	321.362	0.713	20	30		DCEDRM
N#CCOc1cccc(CC(=O)NCCc2nc(=O)o[n-]2)c1	ZINC001649779747	1173219679	/nfs/dbraw/zinc/21/96/79/1173219679.db2.gz	NWYXZHMYBCGRAQ-UHFFFAOYSA-N	-1	0	302.290	0.167	20	30		DCEDRM
CS[C@@H]1CC[C@H](N(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001649949197	1173330084	/nfs/dbraw/zinc/33/00/84/1173330084.db2.gz	MHSHRNCYYCUEFC-WDEREUQCSA-N	-1	0	322.390	0.563	20	30		DCEDRM
CN(Cc1nc2ccccc2[nH]1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001651350844	1173747522	/nfs/dbraw/zinc/74/75/22/1173747522.db2.gz	XKXIVMFWLAMKOQ-UHFFFAOYSA-N	-1	0	310.317	0.458	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC001666752513	1174635095	/nfs/dbraw/zinc/63/50/95/1174635095.db2.gz	LAKZYGHAZLWKBY-UHFFFAOYSA-N	-1	0	314.248	0.959	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cn1	ZINC001669910098	1174961488	/nfs/dbraw/zinc/96/14/88/1174961488.db2.gz	LORMXJVJBKUVKZ-SNVBAGLBSA-N	-1	0	314.349	0.137	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@@]2(C)CCN(CC#N)C2)cc1=O	ZINC001671654239	1175027568	/nfs/dbraw/zinc/02/75/68/1175027568.db2.gz	PLFSUOMIGVAWJO-INIZCTEOSA-N	-1	0	319.409	0.479	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001678167266	1175630681	/nfs/dbraw/zinc/63/06/81/1175630681.db2.gz	MBUNPXNOCCIKPC-MWLCHTKSSA-N	-1	0	322.365	0.039	20	30		DCEDRM
C#CCOCCC(=O)N(C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001679989820	1175772907	/nfs/dbraw/zinc/77/29/07/1175772907.db2.gz	LPSNADWUGDBUCK-SNVBAGLBSA-N	-1	0	322.365	0.040	20	30		DCEDRM
CC#CCCCC(=O)NC[C@@H](CO)NC(=O)c1ccccc1O	ZINC001680354896	1175809448	/nfs/dbraw/zinc/80/94/48/1175809448.db2.gz	RBDGZDLFLRMCNB-ZDUSSCGKSA-N	-1	0	318.373	0.793	20	30		DCEDRM
O=C(C#CC1CC1)NCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001686585737	1176166960	/nfs/dbraw/zinc/16/69/60/1176166960.db2.gz	PULOLLKJNMQTNS-UHFFFAOYSA-N	-1	0	314.301	0.188	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C#CC(C)(C)C)C2)c1[O-]	ZINC001687902075	1176301801	/nfs/dbraw/zinc/30/18/01/1176301801.db2.gz	WPTCYSYPBZNSLN-NSHDSACASA-N	-1	0	318.377	0.804	20	30		DCEDRM
C[C@H]1C[C@H](NC(=O)CSCC#N)CCN1Cc1n[nH]c(=O)[n-]1	ZINC001700310729	1178577473	/nfs/dbraw/zinc/57/74/73/1178577473.db2.gz	JMDYTGXDGMLMGN-VHSXEESVSA-N	-1	0	324.410	0.236	20	30		DCEDRM
CC#CCCCC(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001704511893	1180032149	/nfs/dbraw/zinc/03/21/49/1180032149.db2.gz	PTVBRROHERPVGG-UHFFFAOYSA-N	-1	0	304.350	0.558	20	30		DCEDRM
C#Cc1ccc(C(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)cn1	ZINC001712984145	1180608301	/nfs/dbraw/zinc/60/83/01/1180608301.db2.gz	VCRXWJQVJQEHKC-UHFFFAOYSA-N	-1	0	314.349	0.139	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001715312583	1181768605	/nfs/dbraw/zinc/76/86/05/1181768605.db2.gz	WXKNYJNKPFXMBA-UHFFFAOYSA-N	-1	0	317.393	0.594	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001718572383	1183264470	/nfs/dbraw/zinc/26/44/70/1183264470.db2.gz	YMHOCYIPUARBLS-MRVPVSSYSA-N	-1	0	323.353	0.072	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H](NC(=O)c1cn[nH]n1)C(C)(C)C	ZINC001718814014	1183362804	/nfs/dbraw/zinc/36/28/04/1183362804.db2.gz	VPORCOQBKSOTCV-GFCCVEGCSA-N	-1	0	305.382	0.869	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)C#CC(C)(C)C)c1[O-]	ZINC001720909482	1183761618	/nfs/dbraw/zinc/76/16/18/1183761618.db2.gz	ZREBBODJEHNYKZ-SECBINFHSA-N	-1	0	306.366	0.708	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C	ZINC001725626795	1184917950	/nfs/dbraw/zinc/91/79/50/1184917950.db2.gz	QJEXZLNPAJPCFL-NWDGAFQWSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C=CCC1(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)CCC1	ZINC001732134859	1185691732	/nfs/dbraw/zinc/69/17/32/1185691732.db2.gz	UXJIXEGTKHCPJW-UHFFFAOYSA-N	-1	0	305.382	0.805	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](NC(=O)C#CC3CC3)C[C@@H]2C)c1[O-]	ZINC001735327353	1186867846	/nfs/dbraw/zinc/86/78/46/1186867846.db2.gz	WGGQZKXUPCQHLK-JOYOIKCWSA-N	-1	0	316.361	0.556	20	30		DCEDRM
C=CCCC(=O)NCCN(CCC)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001737855289	1187418160	/nfs/dbraw/zinc/41/81/60/1187418160.db2.gz	LRTOWBACJLDWLM-UHFFFAOYSA-N	-1	0	323.353	0.217	20	30		DCEDRM
C#CCCCC(=O)NC1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001739129506	1187747924	/nfs/dbraw/zinc/74/79/24/1187747924.db2.gz	QFOBTIIIHLJNBP-UHFFFAOYSA-N	-1	0	318.377	0.946	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1C[C@H](NC(=O)c2cn[nH]n2)C12CCC2	ZINC001739473908	1187803081	/nfs/dbraw/zinc/80/30/81/1187803081.db2.gz	MOKCXHFSMAYBID-OLZOCXBDSA-N	-1	0	315.377	0.621	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCNC(=O)C2)n1	ZINC001771620834	1188358490	/nfs/dbraw/zinc/35/84/90/1188358490.db2.gz	AXCHLSXGLGIJQF-ZJUUUORDSA-N	-1	0	321.358	0.697	20	30		DCEDRM
CC1(CNC(=O)C#CC2CC2)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001754715740	1188910392	/nfs/dbraw/zinc/91/03/92/1188910392.db2.gz	DJUSUIVVEDXUQC-UHFFFAOYSA-N	-1	0	317.393	0.642	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001755408749	1189104206	/nfs/dbraw/zinc/10/42/06/1189104206.db2.gz	VCHHINBDTRDLIM-NSHDSACASA-N	-1	0	319.409	0.886	20	30		DCEDRM
C=CCOCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001756815287	1189459079	/nfs/dbraw/zinc/45/90/79/1189459079.db2.gz	LXGYHXJMNJMFEB-VHSXEESVSA-N	-1	0	324.381	0.639	20	30		DCEDRM
CN(c1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H]1CCc2ccccc2C1	ZINC001772114985	1190610804	/nfs/dbraw/zinc/61/08/04/1190610804.db2.gz	ULLMDXPRSREVIW-CYBMUJFWSA-N	-1	0	310.357	0.939	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2CCOc3ccccc32)c(C#N)c1=O	ZINC001772115441	1190610816	/nfs/dbraw/zinc/61/08/16/1190610816.db2.gz	YIHAQVBYPYAWLF-JTQLQIEISA-N	-1	0	312.329	0.923	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H](C)Nc2ccnc(C#N)n2)c1[O-]	ZINC001115671365	751951746	/nfs/dbraw/zinc/95/17/46/751951746.db2.gz	ORHBBXUWKMZPMF-MRVPVSSYSA-N	-1	0	315.337	0.080	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CNc2nc(C)cc(C#N)n2)c1[O-]	ZINC001107689262	752222262	/nfs/dbraw/zinc/22/22/62/752222262.db2.gz	USKYGBPMAPTTHE-MRVPVSSYSA-N	-1	0	315.337	0.624	20	30		DCEDRM
C#Cc1ccc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cc1	ZINC001043505193	752262410	/nfs/dbraw/zinc/26/24/10/752262410.db2.gz	FZIHAWOKIDOSGZ-UHFFFAOYSA-N	-1	0	311.345	0.448	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(=O)OC(C)(C)C	ZINC001224670578	750200483	/nfs/dbraw/zinc/20/04/83/750200483.db2.gz	ASYXLGGNSIKKFY-JTQLQIEISA-N	-1	0	310.368	0.804	20	30		DCEDRM
C#CCN1CCC(F)(F)[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001046927434	754023664	/nfs/dbraw/zinc/02/36/64/754023664.db2.gz	GKAURCRDDQEGKQ-SNVBAGLBSA-N	-1	0	312.320	0.744	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N=C3C[C@@H](C)ON3)cc2=O)n1	ZINC000822512910	758200099	/nfs/dbraw/zinc/20/00/99/758200099.db2.gz	XGPLLPOATRIDJS-SECBINFHSA-N	-1	0	316.321	0.425	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001085827273	759353329	/nfs/dbraw/zinc/35/33/29/759353329.db2.gz	MTDLOUZKVMCXIK-UTUOFQBUSA-N	-1	0	321.381	0.134	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C)c2cc(C)ncc2C#N)c1[O-]	ZINC001100014549	759520179	/nfs/dbraw/zinc/52/01/79/759520179.db2.gz	OTUANMPJUUZGIF-UHFFFAOYSA-N	-1	0	314.349	0.865	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCCNc2ccnc(C#N)n2)c1[O-]	ZINC001109413051	761402744	/nfs/dbraw/zinc/40/27/44/761402744.db2.gz	CEOJESUJLYEDEL-UHFFFAOYSA-N	-1	0	315.337	0.082	20	30		DCEDRM
C#CCN1CC[C@@]2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])C[C@@H](C)O2	ZINC001071156303	761665354	/nfs/dbraw/zinc/66/53/54/761665354.db2.gz	FQOQDQQNRKWJLB-BDJLRTHQSA-N	-1	0	318.377	0.362	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1Cc1n[nH]c(=O)[n-]1	ZINC001098982745	762770963	/nfs/dbraw/zinc/77/09/63/762770963.db2.gz	NHSYOFDHOKHSOC-WDEREUQCSA-N	-1	0	320.397	0.777	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001099849826	763077646	/nfs/dbraw/zinc/07/76/46/763077646.db2.gz	JQGCHDHVNXGBQD-QWRGUYRKSA-N	-1	0	323.397	0.164	20	30		DCEDRM
C=CCCC(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001111650429	765341725	/nfs/dbraw/zinc/34/17/25/765341725.db2.gz	RDJLVCRHRSUZET-NHYWBVRUSA-N	-1	0	305.382	0.947	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1ccc(N)nc1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170747658	765491140	/nfs/dbraw/zinc/49/11/40/765491140.db2.gz	UZNKGVLREAHDMI-YMTOWFKASA-N	-1	0	322.390	0.629	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1[C@H]2CN(CC#N)C[C@H]21	ZINC001115283707	765674739	/nfs/dbraw/zinc/67/47/39/765674739.db2.gz	DVXSCKAGCNYVDQ-BRPSZJMVSA-N	-1	0	318.299	0.013	20	30		DCEDRM
CC1(C)NC(=O)N(CC(=O)[N-]Oc2cccc(C#N)c2)C1=O	ZINC001171244848	767213981	/nfs/dbraw/zinc/21/39/81/767213981.db2.gz	ARLUANFHPLXDNQ-UHFFFAOYSA-N	-1	0	302.290	0.299	20	30		DCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N(C)CCCCOC	ZINC001121626913	767608830	/nfs/dbraw/zinc/60/88/30/767608830.db2.gz	WFGPCTHZCIMAIU-UHFFFAOYSA-N	-1	0	306.374	0.431	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2CC2(Cl)Cl)c(=O)[n-]c1=O	ZINC001141504206	768581180	/nfs/dbraw/zinc/58/11/80/768581180.db2.gz	QRPSFDQPDRLDAS-ZETCQYMHSA-N	-1	0	317.132	0.131	20	30		DCEDRM
CC(C)(C)C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001142781815	768663302	/nfs/dbraw/zinc/66/33/02/768663302.db2.gz	PPJHGZPESBXKDC-MRVPVSSYSA-N	-1	0	314.344	0.575	20	30		DCEDRM
NC(=NC(=O)c1sc(C(=O)[O-])c2c1OCCO2)c1ncc[nH]1	ZINC001152713507	769626748	/nfs/dbraw/zinc/62/67/48/769626748.db2.gz	GWAOZICYVRPLLF-UHFFFAOYSA-N	-1	0	322.302	0.486	20	30		DCEDRM
CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1	ZINC001152878111	769660393	/nfs/dbraw/zinc/66/03/93/769660393.db2.gz	CDQQJXZTVFXZTC-SECBINFHSA-N	-1	0	317.353	0.350	20	30		DCEDRM
C=C(C)C(=O)NCCCNC(=O)c1ccn(C)c1CC(=O)[O-]	ZINC001177370625	770418493	/nfs/dbraw/zinc/41/84/93/770418493.db2.gz	RGRRTSMGLIECGC-UHFFFAOYSA-N	-1	0	307.350	0.464	20	30		DCEDRM
N#C[C@H]1CNCCN1C(F)(F)c1cc(Cl)nnc1C(=O)[O-]	ZINC001156332932	770787080	/nfs/dbraw/zinc/78/70/80/770787080.db2.gz	RIPGCXQHXNXJEU-LURJTMIESA-N	-1	0	317.683	0.675	20	30		DCEDRM
N#Cc1nc(N)c(NC(=O)C2(C(=O)[O-])CCCCC2)nc1C#N	ZINC001180434098	771115907	/nfs/dbraw/zinc/11/59/07/771115907.db2.gz	HQGBPAFBEDPHHR-UHFFFAOYSA-N	-1	0	314.305	0.776	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1	ZINC001181470067	771291041	/nfs/dbraw/zinc/29/10/41/771291041.db2.gz	ZKXUSMRFJBPFOB-WDEREUQCSA-N	-1	0	309.370	0.182	20	30		DCEDRM
N#C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1SC(=O)[N-]C1=O	ZINC001183615909	771677640	/nfs/dbraw/zinc/67/76/40/771677640.db2.gz	ITAAEWPIJARXIW-PRHODGIISA-N	-1	0	305.315	0.500	20	30		DCEDRM
CN1CCN(C2CN(C(=O)CCC(=O)C3=CC=C[CH]3)C2)CC1=O	ZINC001184244113	771763043	/nfs/dbraw/zinc/76/30/43/771763043.db2.gz	PTUHEIRFSRUXRE-UHFFFAOYSA-N	-1	0	316.381	0.021	20	30		DCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cn1	ZINC001186887196	772101304	/nfs/dbraw/zinc/10/13/04/772101304.db2.gz	UNCZHXSJEIXOLE-UHFFFAOYSA-N	-1	0	315.314	0.644	20	30		DCEDRM
Nc1cccnc1N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001163066635	772452587	/nfs/dbraw/zinc/45/25/87/772452587.db2.gz	VKIUIXOIDBPKDT-VIFPVBQESA-N	-1	0	322.327	0.184	20	30		DCEDRM
N#Cc1cnn2c1ncc(C#N)c2[N-]S(=O)(=O)CCCF	ZINC001189870537	772547649	/nfs/dbraw/zinc/54/76/49/772547649.db2.gz	YRBOUKJCAJSKRK-UHFFFAOYSA-N	-1	0	308.298	0.574	20	30		DCEDRM
C#Cc1cc([N-]S(=O)(=O)c2ccc(F)c(OC)n2)ccn1	ZINC001190061175	772580375	/nfs/dbraw/zinc/58/03/75/772580375.db2.gz	LWCJNQRPMMCXMY-UHFFFAOYSA-N	-1	0	307.306	0.828	20	30		DCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2ncc(F)cc2F)c(C#C)n1	ZINC001190143213	772588502	/nfs/dbraw/zinc/58/85/02/772588502.db2.gz	OLUXZHHNSFECBZ-UHFFFAOYSA-N	-1	0	320.280	0.913	20	30		DCEDRM
CCOC(=O)C1(C#N)CCN(S(=O)(=O)c2ncc[n-]2)CC1	ZINC001190714419	772660666	/nfs/dbraw/zinc/66/06/66/772660666.db2.gz	IYOXRAMBILAYGR-UHFFFAOYSA-N	-1	0	312.351	0.267	20	30		DCEDRM
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ncn(C)c1C#N	ZINC001193024080	772996890	/nfs/dbraw/zinc/99/68/90/772996890.db2.gz	FDRJRUPYGVUALW-UHFFFAOYSA-N	-1	0	300.340	0.375	20	30		DCEDRM
CNC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193158094	773018951	/nfs/dbraw/zinc/01/89/51/773018951.db2.gz	LVKCPBRCWOTYTC-VIFPVBQESA-N	-1	0	306.347	0.880	20	30		DCEDRM
CCc1c(NC(=O)c2cccc(C#N)c2[O-])c(C(N)=O)nn1C	ZINC001193642209	773094269	/nfs/dbraw/zinc/09/42/69/773094269.db2.gz	DEEIVELPYIKQHX-UHFFFAOYSA-N	-1	0	313.317	0.911	20	30		DCEDRM
C=CCOC(=O)c1c(N)nn(-c2ccc(C(=O)[O-])nc2)c1N	ZINC001210172200	773680764	/nfs/dbraw/zinc/68/07/64/773680764.db2.gz	UYONOUIRCFPZKI-UHFFFAOYSA-N	-1	0	303.278	0.473	20	30		DCEDRM
C=CCOC(=O)c1c(N)nn(-c2ccc([O-])c([N+](=O)[O-])c2)c1N	ZINC001210394262	773703210	/nfs/dbraw/zinc/70/32/10/773703210.db2.gz	SWSLDDHTSXIEBQ-UHFFFAOYSA-N	-1	0	319.277	0.993	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC	ZINC001213389701	773842332	/nfs/dbraw/zinc/84/23/32/773842332.db2.gz	FDUKXWFVMOFOJP-HFAKWTLXSA-N	-1	0	323.397	0.428	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2cccnc2C#N)c1	ZINC001201841814	774564997	/nfs/dbraw/zinc/56/49/97/774564997.db2.gz	LJQBBWAFZOULKK-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCCN1CCCCO1	ZINC001224295781	775555636	/nfs/dbraw/zinc/55/56/36/775555636.db2.gz	YHPCQHMNVHZVSE-ZDUSSCGKSA-N	-1	0	323.411	0.880	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC(=O)N(CC)C1CC1	ZINC001224308774	775557806	/nfs/dbraw/zinc/55/78/06/775557806.db2.gz	JKCKFEGJBITVBR-GFCCVEGCSA-N	-1	0	321.395	0.473	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCCCC(=O)OC	ZINC001224392531	775565186	/nfs/dbraw/zinc/56/51/86/775565186.db2.gz	JFPKQTUHUACQJB-LLVKDONJSA-N	-1	0	310.368	0.805	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC1(C(=O)OC)CC1	ZINC001224980208	775628526	/nfs/dbraw/zinc/62/85/26/775628526.db2.gz	IRRQKMYQLWCRHQ-SNVBAGLBSA-N	-1	0	308.352	0.415	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nc(C)cc(C)n1	ZINC001225644900	775702495	/nfs/dbraw/zinc/70/24/95/775702495.db2.gz	RRWUHXLYWBRKFF-LLVKDONJSA-N	-1	0	302.352	0.931	20	30		DCEDRM
C#CC(C#C)Oc1[n-]c(=O)ncc1I	ZINC001226775790	775876855	/nfs/dbraw/zinc/87/68/55/775876855.db2.gz	XNCQNBFWEZUSDR-UHFFFAOYSA-N	-1	0	300.055	0.801	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](Oc2nc(=O)[n-]c(=O)[nH]2)[C@H](C#N)C1	ZINC001227568974	775986569	/nfs/dbraw/zinc/98/65/69/775986569.db2.gz	RLBNPMLZHQPQEO-SFYZADRCSA-N	-1	0	323.309	0.421	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(OC)nc1	ZINC001228059562	776043262	/nfs/dbraw/zinc/04/32/62/776043262.db2.gz	XKPQKXIMVVCRLY-NSHDSACASA-N	-1	0	303.336	0.928	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(OC)cnn1	ZINC001228373299	776076028	/nfs/dbraw/zinc/07/60/28/776076028.db2.gz	PNVWJHGLBNERNA-SNVBAGLBSA-N	-1	0	304.324	0.323	20	30		DCEDRM
N#CCN1CC[C@@H](Oc2ccc(-n3nn[n-]c3=S)cc2)C1	ZINC001228436414	776082925	/nfs/dbraw/zinc/08/29/25/776082925.db2.gz	CHWSYBZIHMAJDR-GFCCVEGCSA-N	-1	0	302.363	0.928	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1n[nH]c2cnccc21	ZINC001228991414	776145140	/nfs/dbraw/zinc/14/51/40/776145140.db2.gz	ZLMOFNTZOJIBIS-VIFPVBQESA-N	-1	0	313.335	0.796	20	30		DCEDRM
CCn1c(OC(=O)[C@H](O)CCC(=O)[O-])cc(C)c(C#N)c1=O	ZINC001229321765	776180708	/nfs/dbraw/zinc/18/07/08/776180708.db2.gz	ASFRXKUWLICSPF-SNVBAGLBSA-N	-1	0	308.290	0.179	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncnc(C)c1F	ZINC001230016786	776244321	/nfs/dbraw/zinc/24/43/21/776244321.db2.gz	JUFWZNMTZZWHHL-SECBINFHSA-N	-1	0	306.315	0.762	20	30		DCEDRM
C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114899092	776375499	/nfs/dbraw/zinc/37/54/99/776375499.db2.gz	LZRSXFJFFJJSTR-IAZYJMLFSA-N	-1	0	305.382	0.659	20	30		DCEDRM
Cn1ccc(N2CCC[C@H](N(CC#N)CCC(=O)[O-])C2=O)n1	ZINC001600976226	1168541637	/nfs/dbraw/zinc/54/16/37/1168541637.db2.gz	WSANZMPIYXXLBQ-NSHDSACASA-N	-1	0	305.338	0.216	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])C1	ZINC001601057515	1168578302	/nfs/dbraw/zinc/57/83/02/1168578302.db2.gz	BEPOCUXIDCOLMR-GFCCVEGCSA-N	-1	0	311.294	0.849	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1	ZINC001601071083	1168580871	/nfs/dbraw/zinc/58/08/71/1168580871.db2.gz	RFYPUISMXHJKMZ-LLVKDONJSA-N	-1	0	307.350	0.604	20	30		DCEDRM
O=C([O-])CC1(NC(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC001601926770	1168937233	/nfs/dbraw/zinc/93/72/33/1168937233.db2.gz	KNAZOJQFFTVZPP-OUKQBFOZSA-N	-1	0	307.306	0.026	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001602683286	1169158016	/nfs/dbraw/zinc/15/80/16/1169158016.db2.gz	NOOFACPSEHDOGV-JTQLQIEISA-N	-1	0	308.338	0.863	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(=O)[O-]	ZINC001602693599	1169161698	/nfs/dbraw/zinc/16/16/98/1169161698.db2.gz	ZBDNCZQUHHGZBN-SECBINFHSA-N	-1	0	306.322	0.100	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1)OCC	ZINC001602744650	1169177607	/nfs/dbraw/zinc/17/76/07/1169177607.db2.gz	IAVAYIOIGFDOEM-SRVKXCTJSA-N	-1	0	313.350	0.690	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001602843228	1169192824	/nfs/dbraw/zinc/19/28/24/1169192824.db2.gz	XCXCOCCXULMJGI-VIFPVBQESA-N	-1	0	303.311	0.739	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1	ZINC001602907040	1169202161	/nfs/dbraw/zinc/20/21/61/1169202161.db2.gz	UNOYBYNOBJOEGK-VIFPVBQESA-N	-1	0	315.351	0.382	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	ZINC001603129894	1169249780	/nfs/dbraw/zinc/24/97/80/1169249780.db2.gz	OHLMSRRQPXKPJG-PSHCNPEKSA-N	-1	0	314.363	0.073	20	30		DCEDRM
COCC#CCN1CCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001481036581	939534050	/nfs/dbraw/zinc/53/40/50/939534050.db2.gz	RKSJCOMJGLQIQV-GFCCVEGCSA-N	-1	0	306.366	0.268	20	30		DCEDRM
C=CCCCC(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC001481580357	939949631	/nfs/dbraw/zinc/94/96/31/939949631.db2.gz	RSNKYVVBRSIQNT-UHFFFAOYSA-N	-1	0	315.377	0.679	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC/C=C\CNCc1nc(=O)n(C)[nH]1	ZINC001268588471	940270965	/nfs/dbraw/zinc/27/09/65/940270965.db2.gz	SBJWFRJRHWFBEC-ZPIQOJFGSA-N	-1	0	307.398	0.473	20	30		DCEDRM
Cc1nn(C)c(N2CCN(C(=O)CCCC(=O)[O-])CC2)c1C#N	ZINC001600772505	970862852	/nfs/dbraw/zinc/86/28/52/970862852.db2.gz	JCSCYQRALCNOTK-UHFFFAOYSA-N	-1	0	319.365	0.504	20	30		DCEDRM
CCO[C@@H]1C[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)[C@]12CCCO2	ZINC001412878452	942118282	/nfs/dbraw/zinc/11/82/82/942118282.db2.gz	FPZSUBRKQHFXSD-FIXISWKDSA-N	-1	0	320.349	0.084	20	30		DCEDRM
C[C@H]1CC[C@@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001412917814	942136856	/nfs/dbraw/zinc/13/68/56/942136856.db2.gz	QRNWKGXTEKEKKR-WDEREUQCSA-N	-1	0	304.350	0.763	20	30		DCEDRM
CC(=O)N1CCC[C@H](CNC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001412920382	942140021	/nfs/dbraw/zinc/14/00/21/942140021.db2.gz	WABYMUOWBMYOSH-GFCCVEGCSA-N	-1	0	316.361	0.956	20	30		DCEDRM
C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1cc(=O)n(C)[n-]1)CC2	ZINC001272353679	942711637	/nfs/dbraw/zinc/71/16/37/942711637.db2.gz	DJNBRVBILAYOHZ-NSHDSACASA-N	-1	0	318.377	0.670	20	30		DCEDRM
N#Cc1ccc(OCC(=O)NCC(=O)[O-])cc1Br	ZINC001601110196	970934649	/nfs/dbraw/zinc/93/46/49/970934649.db2.gz	MMRWZINTKDTLGD-UHFFFAOYSA-N	-1	0	313.107	0.900	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC2(CC3CC3)CC2)c(=O)[n-]c1=O	ZINC001413480299	943010255	/nfs/dbraw/zinc/01/02/55/943010255.db2.gz	WKCAUBRNFFXPSL-UHFFFAOYSA-N	-1	0	302.334	0.517	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1CC2(C1)OCCO2	ZINC001413515323	943038514	/nfs/dbraw/zinc/03/85/14/943038514.db2.gz	DJBDZDXTZHVKBJ-UHFFFAOYSA-N	-1	0	303.318	0.850	20	30		DCEDRM
Cn1c2ccc(OC(=O)[C@](C)(C#N)CC(=O)[O-])cc2n(C)c1=O	ZINC001611268226	970961576	/nfs/dbraw/zinc/96/15/76/970961576.db2.gz	IUQPIUNFPTZTBD-HNNXBMFYSA-N	-1	0	317.301	0.787	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)c1[O-]	ZINC001056173605	943240942	/nfs/dbraw/zinc/24/09/42/943240942.db2.gz	PPEPWLQYPOPHHV-GDNZZTSVSA-N	-1	0	324.344	0.555	20	30		DCEDRM
C=CCC1(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCC1	ZINC001316987734	944720321	/nfs/dbraw/zinc/72/03/21/944720321.db2.gz	URGFXEVTDIAIAQ-LLVKDONJSA-N	-1	0	305.382	0.947	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1CCCN1CC#N	ZINC001317513112	945012202	/nfs/dbraw/zinc/01/22/02/945012202.db2.gz	GWNMCQASKLFGLV-SECBINFHSA-N	-1	0	320.315	0.548	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)C#CC2CC2)c1[O-]	ZINC001486681409	945061159	/nfs/dbraw/zinc/06/11/59/945061159.db2.gz	IZICNNWDLROCHL-BDAKNGLRSA-N	-1	0	304.350	0.460	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCNC(=O)C2CC2)cc1C#N	ZINC001251326520	945748509	/nfs/dbraw/zinc/74/85/09/945748509.db2.gz	XAPPVEVIAINUBA-UHFFFAOYSA-N	-1	0	320.374	0.637	20	30		DCEDRM
CCO[N-]C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1	ZINC001320728523	945994589	/nfs/dbraw/zinc/99/45/89/945994589.db2.gz	OETPJLYRDNBRAE-UHFFFAOYSA-N	-1	0	314.305	0.204	20	30		DCEDRM
COC(=O)c1ccccc1S(=O)(=O)[N-]c1cnn(C)c1C#N	ZINC001253963999	946210049	/nfs/dbraw/zinc/21/00/49/946210049.db2.gz	KFFXDNVCZNHDFM-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
Cc1nc2cc[n-]n2c(=O)c1CC(=O)OCCO[C@H](C)C#N	ZINC001321292726	946255482	/nfs/dbraw/zinc/25/54/82/946255482.db2.gz	BSYWCEQUOFRTML-SECBINFHSA-N	-1	0	304.306	0.345	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)c1ccc(C#N)cc1	ZINC001321491403	946350732	/nfs/dbraw/zinc/35/07/32/946350732.db2.gz	BHXRTEQVJSWMPM-DGCLKSJQSA-N	-1	0	317.345	0.820	20	30		DCEDRM
C=CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)C(=O)[O-]	ZINC001256550712	946641814	/nfs/dbraw/zinc/64/18/14/946641814.db2.gz	KLFJPAWIQUIOCR-NSHDSACASA-N	-1	0	312.347	0.354	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](CS(C)(=O)=O)c1ccccc1	ZINC001602679427	971259903	/nfs/dbraw/zinc/25/99/03/971259903.db2.gz	PSMVEUOIECMMDG-ZDUSSCGKSA-N	-1	0	323.370	0.361	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F	ZINC001602679555	971261468	/nfs/dbraw/zinc/26/14/68/971261468.db2.gz	STSLGVAGFXXROD-ZJUUUORDSA-N	-1	0	323.267	0.517	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCn1cnc2ccccc2c1=O	ZINC001602682034	971264635	/nfs/dbraw/zinc/26/46/35/971264635.db2.gz	DEZXDVYZXMOASU-UHFFFAOYSA-N	-1	0	313.313	0.333	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC001602685879	971283222	/nfs/dbraw/zinc/28/32/22/971283222.db2.gz	JKNUQYKDJPZPQM-NSHDSACASA-N	-1	0	309.366	0.363	20	30		DCEDRM
CC(C)CO[N-]C(=O)C(=O)NCc1cccc(OCC#N)c1	ZINC001258468501	946839670	/nfs/dbraw/zinc/83/96/70/946839670.db2.gz	FCYZODLMGXVJLA-UHFFFAOYSA-N	-1	0	305.334	0.909	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1ccc2c[nH]nc2c1	ZINC001602685899	971284450	/nfs/dbraw/zinc/28/44/50/971284450.db2.gz	KCKYTIPYFIBQMD-UHFFFAOYSA-N	-1	0	300.318	0.835	20	30		DCEDRM
Cc1ncc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c(=O)[nH]1	ZINC001259116969	946916375	/nfs/dbraw/zinc/91/63/75/946916375.db2.gz	KECGCAYMGOQEMO-SNVBAGLBSA-N	-1	0	324.749	0.888	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2c(F)cc(F)cc2c1O	ZINC001602692261	971301076	/nfs/dbraw/zinc/30/10/76/971301076.db2.gz	IQXPOUCUPALMNZ-UHFFFAOYSA-N	-1	0	320.251	0.966	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)CCc1cccc(F)c1	ZINC001259777247	946983182	/nfs/dbraw/zinc/98/31/82/946983182.db2.gz	RAGDXWMSHYWOFH-GFCCVEGCSA-N	-1	0	314.338	0.743	20	30		DCEDRM
C=CCS(=O)(=O)[N-]c1c(C(N)=O)nsc1C(=O)OCC	ZINC001259922583	947020768	/nfs/dbraw/zinc/02/07/68/947020768.db2.gz	NRAKKGJIAARYEH-UHFFFAOYSA-N	-1	0	319.364	0.346	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]c2nccn3cnnc23)cc1	ZINC001260037767	947051706	/nfs/dbraw/zinc/05/17/06/947051706.db2.gz	DALNUJGMGPTMKC-UHFFFAOYSA-N	-1	0	314.330	0.938	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2cccc(O)c2)n1C	ZINC001602701147	971327367	/nfs/dbraw/zinc/32/73/67/971327367.db2.gz	YQOJLUQGIVSJAI-UHFFFAOYSA-N	-1	0	300.318	0.636	20	30		DCEDRM
COc1ccc(C#N)c([N-]S(=O)(=O)CS(C)(=O)=O)c1	ZINC001260591830	947120475	/nfs/dbraw/zinc/12/04/75/947120475.db2.gz	NZHSZNISGFICOA-UHFFFAOYSA-N	-1	0	304.349	0.311	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)[C@H]1CCCO1	ZINC001323586421	947135061	/nfs/dbraw/zinc/13/50/61/947135061.db2.gz	BHABIVIRKSBCBO-RKDXNWHRSA-N	-1	0	308.256	0.284	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CC=NO2)n1CC1CC1	ZINC001602701035	971325242	/nfs/dbraw/zinc/32/52/42/971325242.db2.gz	SMPNZWCAFPOFRO-LLVKDONJSA-N	-1	0	303.322	0.660	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)c1c(C)n[nH]c1C	ZINC001261033080	947170117	/nfs/dbraw/zinc/17/01/17/947170117.db2.gz	SLTQPZXWDBCBIO-UHFFFAOYSA-N	-1	0	324.322	0.510	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@]2(C)CCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001411073630	947295757	/nfs/dbraw/zinc/29/57/57/947295757.db2.gz	BRSLEHMGUDYWBT-PSLIRLAXSA-N	-1	0	319.365	0.552	20	30		DCEDRM
C=C[C@@H](C)NC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001602717521	971368181	/nfs/dbraw/zinc/36/81/81/971368181.db2.gz	PVICBBNNZUWWKT-MNOVXSKESA-N	-1	0	309.366	0.668	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)CC2)CC1	ZINC001324266951	947373256	/nfs/dbraw/zinc/37/32/56/947373256.db2.gz	VBMHZXZPLGXRBV-JTQLQIEISA-N	-1	0	300.380	0.457	20	30		DCEDRM
Cc1nc(N2CCOCC2)sc1C=Nn1c(=O)[n-][nH]c1=O	ZINC001324430899	947426674	/nfs/dbraw/zinc/42/66/74/947426674.db2.gz	ZFKJEKQOVVLOQQ-UHFFFAOYSA-N	-1	0	310.339	0.173	20	30		DCEDRM
C=CCCn1cc(CN2CCO[C@](COC)(C(=O)[O-])C2)nn1	ZINC001602721873	971383631	/nfs/dbraw/zinc/38/36/31/971383631.db2.gz	ABVCEXXKRRNZLB-CQSZACIVSA-N	-1	0	310.354	0.156	20	30		DCEDRM
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(C(=O)[O-])C2)c1	ZINC001602723106	971393324	/nfs/dbraw/zinc/39/33/24/971393324.db2.gz	LYUXWAAJOLIKAY-UHFFFAOYSA-N	-1	0	324.358	0.308	20	30		DCEDRM
C=CCOc1cccnc1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001602728857	971397476	/nfs/dbraw/zinc/39/74/76/971397476.db2.gz	KMVZXNIKFMLDIL-LLVKDONJSA-N	-1	0	320.301	0.489	20	30		DCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC001602729688	971400712	/nfs/dbraw/zinc/40/07/12/971400712.db2.gz	BEIAAJNNEQPXAT-GRYCIOLGSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C=CCn1c(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001602730008	971404753	/nfs/dbraw/zinc/40/47/53/971404753.db2.gz	PQAOEZBFXUBNPY-GHMZBOCLSA-N	-1	0	306.366	0.993	20	30		DCEDRM
C=CC[C@@H](NC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(=O)[O-]	ZINC001325146813	947680565	/nfs/dbraw/zinc/68/05/65/947680565.db2.gz	SENXHUPZWVOSOW-SNVBAGLBSA-N	-1	0	304.306	0.019	20	30		DCEDRM
Cn1[n-]nnc1=NC(=O)c1ccc(Br)cc1C#N	ZINC001411329085	947744721	/nfs/dbraw/zinc/74/47/21/947744721.db2.gz	HCAGTRULIJXBAU-UHFFFAOYSA-N	-1	0	307.111	0.518	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)NCc1cccc(OCC#N)c1	ZINC001326606327	948212849	/nfs/dbraw/zinc/21/28/49/948212849.db2.gz	INMNEJCOVJELQJ-UHFFFAOYSA-N	-1	0	306.322	0.456	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)[N-]OCc1ccccc1	ZINC001326715895	948258246	/nfs/dbraw/zinc/25/82/46/948258246.db2.gz	YTEVSZAKKABSSX-KBPBESRZSA-N	-1	0	304.346	0.942	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)[N-]OCc1ccccc1)[C@H]1CCCO1	ZINC001327257792	948438062	/nfs/dbraw/zinc/43/80/62/948438062.db2.gz	GLRDETCNMMVDLC-UONOGXRCSA-N	-1	0	302.330	0.531	20	30		DCEDRM
N#Cc1ncc(N2CC[C@@H](c3cnccn3)C2)nc1-c1nnn[n-]1	ZINC001570923246	948658309	/nfs/dbraw/zinc/65/83/09/948658309.db2.gz	VZLVFBOXKJPGFO-SECBINFHSA-N	-1	0	320.320	0.312	20	30		DCEDRM
CN(C[C@H](O)c1cccnc1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001570931039	948832259	/nfs/dbraw/zinc/83/22/59/948832259.db2.gz	KHCZCSYFIHUIJC-NSHDSACASA-N	-1	0	323.320	0.093	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](Nc2ncccn2)C1	ZINC001602778389	971511497	/nfs/dbraw/zinc/51/14/97/971511497.db2.gz	HBPRAPYXKJRGNZ-QMTHXVAHSA-N	-1	0	303.322	0.494	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C2(CCF)CC2)n1	ZINC001264027139	948838056	/nfs/dbraw/zinc/83/80/56/948838056.db2.gz	XODVUIHPAOKYSA-UHFFFAOYSA-N	-1	0	306.341	0.661	20	30		DCEDRM
N#Cc1ncc(N[C@@H](CO)Cc2ccccc2)nc1-c1nnn[n-]1	ZINC001570932695	948865083	/nfs/dbraw/zinc/86/50/83/948865083.db2.gz	WJYGEZPDKUVUJP-LLVKDONJSA-N	-1	0	322.332	0.544	20	30		DCEDRM
CCN(Cc1cc(=O)n2[n-]cc(C#N)c2n1)[C@H]1CCNC1=O	ZINC001364388348	949170358	/nfs/dbraw/zinc/17/03/58/949170358.db2.gz	SXSRXRRGKLGXBW-NSHDSACASA-N	-1	0	300.322	0.017	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001328946053	949219899	/nfs/dbraw/zinc/21/98/99/949219899.db2.gz	GXVPQTUKRBHYTF-UHFFFAOYSA-N	-1	0	314.323	0.183	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cnn3ccncc23)CC1	ZINC001329999313	950047412	/nfs/dbraw/zinc/04/74/12/950047412.db2.gz	JLQAJIUEVOSGFD-UHFFFAOYSA-N	-1	0	306.347	0.898	20	30		DCEDRM
C[C@@H]1CC[C@H](CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001365148125	950607213	/nfs/dbraw/zinc/60/72/13/950607213.db2.gz	JDDVRVYNXVYWIE-MNOVXSKESA-N	-1	0	319.365	0.556	20	30		DCEDRM
COc1cc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc(OC)c1	ZINC001365220463	950759810	/nfs/dbraw/zinc/75/98/10/950759810.db2.gz	OOWNBEUAXGVZFF-UHFFFAOYSA-N	-1	0	302.290	0.706	20	30		DCEDRM
Cc1noc(C)c1[C@H](C)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365225186	950767777	/nfs/dbraw/zinc/76/77/77/950767777.db2.gz	LRLHMMLGTVEZHV-SSDOTTSWSA-N	-1	0	303.322	0.766	20	30		DCEDRM
COC(=O)c1ccc(OC)c(Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001365261493	950832096	/nfs/dbraw/zinc/83/20/96/950832096.db2.gz	WBOXSPWYFZMLFQ-UHFFFAOYSA-N	-1	0	315.285	0.252	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CC[C@](O)(C(F)F)C1)cc2=O	ZINC001365298939	950904441	/nfs/dbraw/zinc/90/44/41/950904441.db2.gz	WHPSMDFKYNPPCK-CYBMUJFWSA-N	-1	0	309.276	0.508	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)CCCCC1	ZINC001332770778	951791549	/nfs/dbraw/zinc/79/15/49/951791549.db2.gz	KEJGDENWSYAJBZ-LBPRGKRZSA-N	-1	0	309.366	0.661	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)c1c(C)oc(-n2cccc2)c1C#N	ZINC001463162509	1013112475	/nfs/dbraw/zinc/11/24/75/1013112475.db2.gz	QSTDQASUTMHTET-UHFFFAOYSA-N	-1	0	302.290	0.658	20	30		DCEDRM
C=CCOCC(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001334189052	952256679	/nfs/dbraw/zinc/25/66/79/952256679.db2.gz	HSJSDVFWBWQOMM-VIFPVBQESA-N	-1	0	310.354	0.203	20	30		DCEDRM
C=CCCOCC(=O)N(C)[C@@H](C)CNC(=O)c1cnc[nH]c1=O	ZINC001334352719	952293263	/nfs/dbraw/zinc/29/32/63/952293263.db2.gz	GCRHRRUPUXIZCR-NSHDSACASA-N	-1	0	322.365	0.352	20	30		DCEDRM
CO[C@H]1CCC[C@@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001411953054	952566681	/nfs/dbraw/zinc/56/66/81/952566681.db2.gz	OREYPXLAPGGFRZ-PWSUYJOCSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C[C@H]1CCC[C@H](C)N1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412113992	952649694	/nfs/dbraw/zinc/64/96/94/952649694.db2.gz	YIEFEPYVIAGYBT-UWVGGRQHSA-N	-1	0	305.338	0.115	20	30		DCEDRM
CC[C@H]1CCC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001412578896	952909819	/nfs/dbraw/zinc/90/98/19/952909819.db2.gz	QJILWGDWOKJEMB-JQWIXIFHSA-N	-1	0	304.350	0.906	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C	ZINC001412579125	952910278	/nfs/dbraw/zinc/91/02/78/952910278.db2.gz	SHDVQJNWOFLYDV-NXEZZACHSA-N	-1	0	323.374	0.615	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCn3cc(C(N)=O)nc3C2)ccc1[O-]	ZINC001276156763	952953565	/nfs/dbraw/zinc/95/35/65/952953565.db2.gz	YQISYESONKCZDB-UHFFFAOYSA-N	-1	0	311.301	0.215	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCn3c(C(N)=O)cnc3C2)ccc1[O-]	ZINC001276156831	952954029	/nfs/dbraw/zinc/95/40/29/952954029.db2.gz	ZQNFFQPDUTYWSE-UHFFFAOYSA-N	-1	0	311.301	0.215	20	30		DCEDRM
C=CC[C@H](NC(=O)Cn1c2ccccc2n(CC)c1=O)C(=O)[O-]	ZINC001339865385	953126179	/nfs/dbraw/zinc/12/61/79/953126179.db2.gz	WCRJJCKVFFFVPH-NSHDSACASA-N	-1	0	317.345	0.968	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(C2CCOCC2)nn1	ZINC001341821707	953252523	/nfs/dbraw/zinc/25/25/23/953252523.db2.gz	UXXZIMLCNLXQAN-LLVKDONJSA-N	-1	0	305.338	0.477	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(CC(=O)NC2CCCC2)c1	ZINC001341901938	953257353	/nfs/dbraw/zinc/25/73/53/953257353.db2.gz	FVKLJHRXXZVPJJ-LBPRGKRZSA-N	-1	0	317.349	0.010	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@@H](CCC)C1	ZINC001342241165	953278598	/nfs/dbraw/zinc/27/85/98/953278598.db2.gz	MLCYYKFMBYDHHD-NSHDSACASA-N	-1	0	318.381	0.693	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(CC)CCOCC	ZINC001342255265	953278988	/nfs/dbraw/zinc/27/89/88/953278988.db2.gz	UNAXUFPHURGRMN-UHFFFAOYSA-N	-1	0	320.397	0.941	20	30		DCEDRM
C#CCN(CC)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@H]1CCCO1	ZINC001343205972	953328520	/nfs/dbraw/zinc/32/85/20/953328520.db2.gz	NFFHVLSAAYNURU-LLVKDONJSA-N	-1	0	316.365	0.141	20	30		DCEDRM
CS(=O)(=O)Cc1cccc(C([O-])=C(C#N)C(=O)NC2CC2)c1	ZINC001343292759	953334878	/nfs/dbraw/zinc/33/48/78/953334878.db2.gz	XOEXODUPGRSTOW-CYBMUJFWSA-N	-1	0	320.370	0.832	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(C[C@H]2CCOC2)nn1	ZINC001343499906	953349411	/nfs/dbraw/zinc/34/94/11/953349411.db2.gz	GXDVHRYCLYJUIS-GHMZBOCLSA-N	-1	0	305.338	0.162	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C[C@@H](C)C#N	ZINC001343787096	953377091	/nfs/dbraw/zinc/37/70/91/953377091.db2.gz	NZFYUFVESDEDJO-JTQLQIEISA-N	-1	0	301.354	0.674	20	30		DCEDRM
C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001593498758	953377253	/nfs/dbraw/zinc/37/72/53/953377253.db2.gz	DFVYORIWEAXFKB-ONGXEEELSA-N	-1	0	302.286	0.927	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1	ZINC001602960905	971948703	/nfs/dbraw/zinc/94/87/03/971948703.db2.gz	MGBZGNNWKOXLPH-LBPRGKRZSA-N	-1	0	305.338	0.414	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C	ZINC001346208283	953821920	/nfs/dbraw/zinc/82/19/20/953821920.db2.gz	OUORLZWLOAJGIY-KOLCDFICSA-N	-1	0	308.338	0.832	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(CS(C)(=O)=O)c1	ZINC001347063976	954016608	/nfs/dbraw/zinc/01/66/08/954016608.db2.gz	PBQVYYHVIXHSCB-ZDUSSCGKSA-N	-1	0	320.370	0.856	20	30		DCEDRM
C[C@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2(CCOCC2)O1	ZINC001589366587	954201285	/nfs/dbraw/zinc/20/12/85/954201285.db2.gz	OYMWGPSZNSPNEC-SMDDNHRTSA-N	-1	0	310.350	0.787	20	30		DCEDRM
C[C@@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC[C@@H]1C(=O)[O-]	ZINC001589398513	954385555	/nfs/dbraw/zinc/38/55/55/954385555.db2.gz	DBMBDUYCXINYFG-SKDRFNHKSA-N	-1	0	315.333	0.849	20	30		DCEDRM
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(C)(C)C(=O)[O-]	ZINC001589407823	954477651	/nfs/dbraw/zinc/47/76/51/954477651.db2.gz	XHRICBYRWUEEKH-JTQLQIEISA-N	-1	0	317.349	0.496	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)C1(C(=O)[O-])CCSCC1	ZINC001593835542	955178158	/nfs/dbraw/zinc/17/81/58/955178158.db2.gz	AZKOXJGZBPCXKD-UHFFFAOYSA-N	-1	0	314.363	0.500	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)c1cccc(OCC(=O)[O-])c1	ZINC001593836052	955313456	/nfs/dbraw/zinc/31/34/56/955313456.db2.gz	PUNHANSGJHYXSA-UHFFFAOYSA-N	-1	0	320.301	0.679	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001589020455	955465982	/nfs/dbraw/zinc/46/59/82/955465982.db2.gz	TWFFQOBUCCNJNS-JTQLQIEISA-N	-1	0	303.318	0.354	20	30		DCEDRM
Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001594523815	955484172	/nfs/dbraw/zinc/48/41/72/955484172.db2.gz	WXYLOFUASVWKIC-MEDUHNTESA-N	-1	0	317.345	0.883	20	30		DCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1(S(C)(=O)=O)CC1	ZINC001589088483	955920316	/nfs/dbraw/zinc/92/03/16/955920316.db2.gz	XDQQODGUKSAZPF-KWQFWETISA-N	-1	0	302.352	0.073	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC001593906417	955921709	/nfs/dbraw/zinc/92/17/09/955921709.db2.gz	WQOUHOTXOURSOT-KBPBESRZSA-N	-1	0	317.345	0.323	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)NCc2ccccc2C(=O)[O-])C1	ZINC001594602270	956144449	/nfs/dbraw/zinc/14/44/49/956144449.db2.gz	LLEXYLJSYAOAFL-OAHLLOKOSA-N	-1	0	319.292	0.465	20	30		DCEDRM
N#CC1CCC(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	ZINC001594605994	956175723	/nfs/dbraw/zinc/17/57/23/956175723.db2.gz	NXBJYDXYYGISLK-MCIGGMRASA-N	-1	0	315.395	0.700	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)NCc2cccc(C(=O)[O-])c2)C1	ZINC001594606563	956185280	/nfs/dbraw/zinc/18/52/80/956185280.db2.gz	VSNNMVAQIOHOMJ-OAHLLOKOSA-N	-1	0	303.318	0.945	20	30		DCEDRM
N#CCOc1cc(F)ccc1NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001594609667	956192715	/nfs/dbraw/zinc/19/27/15/956192715.db2.gz	GGDABRGYQXMTIX-UHFFFAOYSA-N	-1	0	319.252	0.656	20	30		DCEDRM
N#CCSCC(=O)O[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001594611286	956212628	/nfs/dbraw/zinc/21/26/28/956212628.db2.gz	LLSKTRSNKQHKCX-SECBINFHSA-N	-1	0	300.336	0.252	20	30		DCEDRM
N#C[C@]12CN(Cc3cccc(C(=O)[O-])c3)C[C@H]1CS(=O)(=O)C2	ZINC001594611880	956222069	/nfs/dbraw/zinc/22/20/69/956222069.db2.gz	JVAKNVYXWHVBRK-DZGCQCFKSA-N	-1	0	320.370	0.755	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c1	ZINC001594614353	956231071	/nfs/dbraw/zinc/23/10/71/956231071.db2.gz	SVYSZLYDDGLNAN-JTQLQIEISA-N	-1	0	304.306	0.082	20	30		DCEDRM
N#Cc1cc(CS(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cs1	ZINC001594616627	956243168	/nfs/dbraw/zinc/24/31/68/956243168.db2.gz	PBJSOJIEPPMVDY-JTQLQIEISA-N	-1	0	316.360	0.235	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N(CC(=O)[O-])C2CCOCC2)cc1	ZINC001594617997	956257496	/nfs/dbraw/zinc/25/74/96/956257496.db2.gz	WUMVDRTUSHYDOM-OAHLLOKOSA-N	-1	0	318.329	0.684	20	30		DCEDRM
N#Cc1ccc(NCC(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)cc1	ZINC001594623033	956295372	/nfs/dbraw/zinc/29/53/72/956295372.db2.gz	UEIURWKIWDJQHK-GFCCVEGCSA-N	-1	0	317.301	0.199	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCOC[C@@H]2C(=O)[O-])c1	ZINC001594628967	956339726	/nfs/dbraw/zinc/33/97/26/956339726.db2.gz	ZHNMTDWFSLPHFF-BFHYXJOUSA-N	-1	0	300.314	0.974	20	30		DCEDRM
N#Cc1ccnc(Cn2cc(CN3CCC[C@H]3C(=O)[O-])nn2)c1	ZINC001594632091	956348882	/nfs/dbraw/zinc/34/88/82/956348882.db2.gz	UAPFXKPWHYJSHW-AWEZNQCLSA-N	-1	0	312.333	0.642	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(Cc2ccc(CF)cc2)c1=O	ZINC001594632866	956354258	/nfs/dbraw/zinc/35/42/58/956354258.db2.gz	FSYNYAWFFOKRRP-UHFFFAOYSA-N	-1	0	317.276	0.484	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CCCc2ccccc2)c1=O	ZINC001594633164	956357911	/nfs/dbraw/zinc/35/79/11/956357911.db2.gz	PWRBJXPKBVURRW-UHFFFAOYSA-N	-1	0	313.313	0.599	20	30		DCEDRM
N#Cc1cscc1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001594634911	956365688	/nfs/dbraw/zinc/36/56/88/956365688.db2.gz	ROGJLCOXGXETDE-NSHDSACASA-N	-1	0	321.358	0.815	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2cccc(F)c2C#N)CCO1	ZINC001593981624	956717093	/nfs/dbraw/zinc/71/70/93/956717093.db2.gz	ZKMWQTYLVMASGS-OAHLLOKOSA-N	-1	0	322.292	0.640	20	30		DCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)n1	ZINC001356041583	956765592	/nfs/dbraw/zinc/76/55/92/956765592.db2.gz	BRTYAHFILBPNNV-JTQLQIEISA-N	-1	0	300.318	0.386	20	30		DCEDRM
C[C@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)NC(=O)OC(C)(C)C	ZINC001413893154	957826137	/nfs/dbraw/zinc/82/61/37/957826137.db2.gz	LWHVDYKXJXCVAO-MRVPVSSYSA-N	-1	0	323.353	0.270	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCn3cnnc3C2)cc1C#N	ZINC001361339987	957872395	/nfs/dbraw/zinc/87/23/95/957872395.db2.gz	HUNUZTBTCMOKFR-UHFFFAOYSA-N	-1	0	316.346	0.628	20	30		DCEDRM
C#CC1(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCCC1	ZINC001588386813	957983194	/nfs/dbraw/zinc/98/31/94/957983194.db2.gz	WDPBNKYLKWXYCT-UHFFFAOYSA-N	-1	0	300.380	0.563	20	30		DCEDRM
Cc1cc(F)c(C#N)cc1NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001594310803	958014107	/nfs/dbraw/zinc/01/41/07/958014107.db2.gz	OAZFERQWGSUYCX-UHFFFAOYSA-N	-1	0	303.253	0.934	20	30		DCEDRM
C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC001588390790	958014183	/nfs/dbraw/zinc/01/41/83/958014183.db2.gz	IJOWQXOHKJKXAB-CYBMUJFWSA-N	-1	0	324.377	0.198	20	30		DCEDRM
C#CCCCS(=O)(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588390795	958014414	/nfs/dbraw/zinc/01/44/14/958014414.db2.gz	IUIXYARDPMPZTH-LXVYMNJGSA-N	-1	0	315.391	0.732	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1	ZINC001588391602	958025023	/nfs/dbraw/zinc/02/50/23/958025023.db2.gz	JSROMNFTUOCJJC-CYBMUJFWSA-N	-1	0	320.389	0.962	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)/C(=C\c1ccccc1)NC(C)=O	ZINC001588395070	958037538	/nfs/dbraw/zinc/03/75/38/958037538.db2.gz	JBTKSPJBJCNMMW-GXDHUFHOSA-N	-1	0	300.314	0.710	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc(N(C)C)c1C	ZINC001588395679	958042825	/nfs/dbraw/zinc/04/28/25/958042825.db2.gz	PVIAPBRDJNNQAF-UHFFFAOYSA-N	-1	0	317.345	0.546	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000091294161	958132084	/nfs/dbraw/zinc/13/20/84/958132084.db2.gz	HTRWPSTVWIPQFO-LLVKDONJSA-N	-1	0	310.331	0.422	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2ccc(F)c(F)c2)c(=O)[n-]c1=O	ZINC001361636548	958162702	/nfs/dbraw/zinc/16/27/02/958162702.db2.gz	FTHMSJUTQFNHED-UHFFFAOYSA-N	-1	0	320.255	0.415	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1	ZINC001588416205	958163152	/nfs/dbraw/zinc/16/31/52/958163152.db2.gz	JLAVKOXGBOAGOB-UHFFFAOYSA-N	-1	0	321.245	0.971	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)N[C@H](C)CC(=O)N2	ZINC001588419022	958189071	/nfs/dbraw/zinc/18/90/71/958189071.db2.gz	MKVFYYGHPQBBHJ-SNVBAGLBSA-N	-1	0	315.329	0.989	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2nnc(C3CC3)o2)n1C	ZINC001588426608	958230578	/nfs/dbraw/zinc/23/05/78/958230578.db2.gz	RARDUNHVOFFMIQ-UHFFFAOYSA-N	-1	0	302.294	0.267	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cn3c(n2)CCCC3)n1C	ZINC001588426656	958231184	/nfs/dbraw/zinc/23/11/84/958231184.db2.gz	VMBJPFGOPJJZEW-UHFFFAOYSA-N	-1	0	314.349	0.539	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2COc3ccccc32)n1C	ZINC001588427063	958238803	/nfs/dbraw/zinc/23/88/03/958238803.db2.gz	LEBWVABVFPNTFC-GFCCVEGCSA-N	-1	0	312.329	0.864	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1	ZINC001588430584	958258156	/nfs/dbraw/zinc/25/81/56/958258156.db2.gz	CYBVSHYQNJNXRX-AGIUHOORSA-N	-1	0	319.361	0.475	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@](C)(OC)C(=O)[O-])c1	ZINC001588439244	958314322	/nfs/dbraw/zinc/31/43/22/958314322.db2.gz	LYDBVJTXXDFLFV-HNNXBMFYSA-N	-1	0	304.302	0.212	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)C(=O)OC	ZINC001588442286	958343652	/nfs/dbraw/zinc/34/36/52/958343652.db2.gz	QNQAUEGPKUQVHG-WOPDTQHZSA-N	-1	0	313.350	0.880	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588442606	958346099	/nfs/dbraw/zinc/34/60/99/958346099.db2.gz	TVESHPMXRPWCHN-TYNCELHUSA-N	-1	0	310.350	0.017	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001361829053	958380370	/nfs/dbraw/zinc/38/03/70/958380370.db2.gz	SXPHQJGPIVCOOO-SNVBAGLBSA-N	-1	0	315.333	0.888	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2cnc(C(=O)[O-])cn2)C1=O	ZINC001588464391	958491612	/nfs/dbraw/zinc/49/16/12/958491612.db2.gz	OUMCBCZKRANSEC-LLVKDONJSA-N	-1	0	304.306	0.034	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2cnc(C(=O)[O-])cn2)C1=O	ZINC001588464392	958491692	/nfs/dbraw/zinc/49/16/92/958491692.db2.gz	OUMCBCZKRANSEC-NSHDSACASA-N	-1	0	304.306	0.034	20	30		DCEDRM
C=CCOCc1nnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1CC	ZINC001588466550	958515162	/nfs/dbraw/zinc/51/51/62/958515162.db2.gz	YXLKPIKQCRIDCJ-IAQYHMDHSA-N	-1	0	322.365	0.538	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001588469458	958516316	/nfs/dbraw/zinc/51/63/16/958516316.db2.gz	ISYOWVFRCBRVPT-GQCTYLIASA-N	-1	0	313.331	0.708	20	30		DCEDRM
C=CCOc1cccnc1C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001588469810	958520442	/nfs/dbraw/zinc/52/04/42/958520442.db2.gz	VRQWBKHYMRRKPG-UHFFFAOYSA-N	-1	0	303.278	0.575	20	30		DCEDRM
C=CCn1c(-c2ncn(C)n2)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588470133	958522937	/nfs/dbraw/zinc/52/29/37/958522937.db2.gz	FJDHHPWLBQUNPJ-AWEZNQCLSA-N	-1	0	317.353	0.561	20	30		DCEDRM
C=CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1[C@@]1(O)CCSC1	ZINC001588471840	958537042	/nfs/dbraw/zinc/53/70/42/958537042.db2.gz	DTDSTJLVTILXET-IINYFYTJSA-N	-1	0	324.406	0.700	20	30		DCEDRM
C=CCn1c([C@H](O)COC)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588471998	958538712	/nfs/dbraw/zinc/53/87/12/958538712.db2.gz	HKNDKQQVZYGOPN-YGRLFVJLSA-N	-1	0	310.354	0.445	20	30		DCEDRM
Cc1occc1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361961679	958542728	/nfs/dbraw/zinc/54/27/28/958542728.db2.gz	TVSQAWJZKYZPTQ-UHFFFAOYSA-N	-1	0	302.290	0.429	20	30		DCEDRM
COc1cccc(C#CCOC(=O)c2cn(CC(=O)[O-])nn2)c1	ZINC001594120941	958598873	/nfs/dbraw/zinc/59/88/73/958598873.db2.gz	OXTRAIVNZWEISF-UHFFFAOYSA-N	-1	0	315.285	0.580	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C(N)=O)c1ccccc1	ZINC001362037915	958640431	/nfs/dbraw/zinc/64/04/31/958640431.db2.gz	HCCFFQOHTQWZFS-ZDUSSCGKSA-N	-1	0	310.313	0.924	20	30		DCEDRM
CC1(C)C(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1(C)C	ZINC001362073341	958694062	/nfs/dbraw/zinc/69/40/62/958694062.db2.gz	HQZKUAUKMCJIAY-UHFFFAOYSA-N	-1	0	304.350	0.761	20	30		DCEDRM
CC(=O)NCC[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001588502115	958711793	/nfs/dbraw/zinc/71/17/93/958711793.db2.gz	OEANGKVZGHYAQV-SWLSCSKDSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CC(=O)Nc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC001588520363	958832014	/nfs/dbraw/zinc/83/20/14/958832014.db2.gz	UJRGHXZLAUKZSR-AWEZNQCLSA-N	-1	0	304.306	0.661	20	30		DCEDRM
N#CCCN(CCC#N)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134673698	958847161	/nfs/dbraw/zinc/84/71/61/958847161.db2.gz	RNPGWPTVOCKWKL-UHFFFAOYSA-N	-1	0	314.348	0.659	20	30		DCEDRM
Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)COCC(=O)[O-])c1	ZINC001594403345	958866116	/nfs/dbraw/zinc/86/61/16/958866116.db2.gz	HVHGSMRSGRAZRG-LBPRGKRZSA-N	-1	0	304.302	0.421	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CSC[C@H]1C(=O)N(C)C	ZINC001362194561	958909451	/nfs/dbraw/zinc/90/94/51/958909451.db2.gz	FRRNEKNMNQDKKN-JTQLQIEISA-N	-1	0	320.374	0.571	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc2c1OCC(=O)N2	ZINC001588539982	958956657	/nfs/dbraw/zinc/95/66/57/958956657.db2.gz	JNOVURFUBQXLKV-AWEZNQCLSA-N	-1	0	303.274	0.961	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](C)CN1CCOCC1	ZINC001362262955	959030070	/nfs/dbraw/zinc/03/00/70/959030070.db2.gz	BCWNZEZQUVZEGN-LLVKDONJSA-N	-1	0	318.377	0.665	20	30		DCEDRM
CC(C)C[C@@](C)(C#N)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001573502147	959070412	/nfs/dbraw/zinc/07/04/12/959070412.db2.gz	NJWDAOVUFNKPIA-HNNXBMFYSA-N	-1	0	305.334	0.991	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCC(=O)NCc1ccccn1	ZINC001588558407	959086237	/nfs/dbraw/zinc/08/62/37/959086237.db2.gz	SWAQZWFDKMOWOA-OAHLLOKOSA-N	-1	0	318.333	0.209	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H](CC#N)c1ccccc1	ZINC001362343924	959181512	/nfs/dbraw/zinc/18/15/12/959181512.db2.gz	ALNRNCSIUXCBBK-GFCCVEGCSA-N	-1	0	323.374	0.266	20	30		DCEDRM
Cc1nc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)ccc1C#N	ZINC001362522299	959517316	/nfs/dbraw/zinc/51/73/16/959517316.db2.gz	WWVUDQKGLGXOFD-NSHDSACASA-N	-1	0	315.362	0.705	20	30		DCEDRM
Cc1ncc(CO)c(/C=N/CC2(C(=O)[O-])CCOCC2)c1O	ZINC001594469365	959538602	/nfs/dbraw/zinc/53/86/02/959538602.db2.gz	NZYKCVXYMPEGRP-FRKPEAEDSA-N	-1	0	308.334	0.888	20	30		DCEDRM
C[Si](C)(C)C#CCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001594246874	959583822	/nfs/dbraw/zinc/58/38/22/959583822.db2.gz	CZAFQOGIBFWNIC-LBPRGKRZSA-N	-1	0	324.453	0.697	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)NCCOCCOCC(=O)[O-])C1	ZINC001573641042	959610514	/nfs/dbraw/zinc/61/05/14/959610514.db2.gz	AUNCPXWSORYAQR-AWEZNQCLSA-N	-1	0	313.354	0.439	20	30		DCEDRM
COC[C@]1(CO)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362579729	959636768	/nfs/dbraw/zinc/63/67/68/959636768.db2.gz	CDQFLRNTXKPXAV-OAHLLOKOSA-N	-1	0	305.334	0.438	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC(C(=O)[O-])C1	ZINC001594486329	959663797	/nfs/dbraw/zinc/66/37/97/959663797.db2.gz	PFZZEQFINZDBPH-UHFFFAOYSA-N	-1	0	304.350	0.889	20	30		DCEDRM
N#CC1(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCCC1	ZINC001362633026	959736541	/nfs/dbraw/zinc/73/65/41/959736541.db2.gz	XTBKUFCAZVNJCE-UHFFFAOYSA-N	-1	0	311.349	0.889	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](OC(=O)N(C)C)C1	ZINC001362741797	959918902	/nfs/dbraw/zinc/91/89/02/959918902.db2.gz	NYXSHZDTSVTIMC-NSHDSACASA-N	-1	0	318.333	0.880	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)c2ccc(S(N)(=O)=O)o2)c1	ZINC001302371909	960022063	/nfs/dbraw/zinc/02/20/63/960022063.db2.gz	RUJPDJMPALKGII-UHFFFAOYSA-N	-1	0	307.287	0.522	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCSC[C@H]2C(=O)[O-])cn1	ZINC000228698862	960037831	/nfs/dbraw/zinc/03/78/31/960037831.db2.gz	HMXVTCCQQZVTOW-JTQLQIEISA-N	-1	0	313.360	0.144	20	30		DCEDRM
COc1cc(O)ccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001303624198	960058429	/nfs/dbraw/zinc/05/84/29/960058429.db2.gz	ZPWBKGDDIIKXHT-UHFFFAOYSA-N	-1	0	316.273	0.173	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2nccc3ccncc32)c(=O)[n-]c1=O	ZINC001306838794	960133434	/nfs/dbraw/zinc/13/34/34/960133434.db2.gz	KQPIKEINWKWKBV-UHFFFAOYSA-N	-1	0	322.284	0.402	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CCOc2cccc([N+](=O)[O-])c2)c1=O	ZINC001307359805	960149215	/nfs/dbraw/zinc/14/92/15/960149215.db2.gz	ULSVSYFOBCDESQ-UHFFFAOYSA-N	-1	0	302.246	0.395	20	30		DCEDRM
CO[C@@H]1CCCC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362926788	960187695	/nfs/dbraw/zinc/18/76/95/960187695.db2.gz	ZQATXHGKFLDATD-VXGBXAGGSA-N	-1	0	320.349	0.284	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@]23C[C@H]2CCCC3)c(=O)[n-]c1=O	ZINC001362933356	960194477	/nfs/dbraw/zinc/19/44/77/960194477.db2.gz	QQGPSKHAZGRPLU-WBMJQRKESA-N	-1	0	316.361	0.907	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C(C2CC2)C2CC2)c(=O)[n-]c1=O	ZINC001362997815	960274992	/nfs/dbraw/zinc/27/49/92/960274992.db2.gz	AEZXYIMNUVLRMH-UHFFFAOYSA-N	-1	0	302.334	0.373	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C	ZINC001363073877	960373690	/nfs/dbraw/zinc/37/36/90/960373690.db2.gz	GDUNNBIKXZOVCM-FRGLDACASA-N	-1	0	307.375	0.949	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC001588668660	960488625	/nfs/dbraw/zinc/48/86/25/960488625.db2.gz	PLOACNSVUPJOCE-ZIAGYGMSSA-N	-1	0	314.338	0.200	20	30		DCEDRM
CCCC(=O)N1CCC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363156427	960500794	/nfs/dbraw/zinc/50/07/94/960500794.db2.gz	RYICTQCAWSQOIS-NSHDSACASA-N	-1	0	300.322	0.883	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN([C@H]2CCOC2)CC1	ZINC001363218104	960626518	/nfs/dbraw/zinc/62/65/18/960626518.db2.gz	JSVMRWKTYRWFHH-ZDUSSCGKSA-N	-1	0	316.361	0.514	20	30		DCEDRM
N#CCc1cccc(NC(=O)CCCn2c(=O)[n-][nH]c2=O)n1	ZINC001363240434	960680598	/nfs/dbraw/zinc/68/05/98/960680598.db2.gz	FXSHNGFNWSMGHT-UHFFFAOYSA-N	-1	0	302.294	0.569	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CCc2ccoc2)c(=O)[n-]c1=O	ZINC001363287526	960796423	/nfs/dbraw/zinc/79/64/23/960796423.db2.gz	NVAUFRGDROOHBG-UHFFFAOYSA-N	-1	0	302.290	0.163	20	30		DCEDRM
COC[C@]1(C)CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001363296208	960823060	/nfs/dbraw/zinc/82/30/60/960823060.db2.gz	GXHRYOMNYOQGBZ-OAHLLOKOSA-N	-1	0	320.349	0.096	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC[C@H](CC#N)C1)C(=O)[O-]	ZINC001571106301	961275710	/nfs/dbraw/zinc/27/57/10/961275710.db2.gz	MPOZOGSZHDUYBB-GARJFASQSA-N	-1	0	310.354	0.299	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCN(CC(F)(F)F)C1)C(=O)[O-]	ZINC001331896802	961406513	/nfs/dbraw/zinc/40/65/13/961406513.db2.gz	SFLOJORVGAEWCR-NXEZZACHSA-N	-1	0	324.299	0.643	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCC1(CC(=O)[O-])CCCC1	ZINC001571137291	961609246	/nfs/dbraw/zinc/60/92/46/961609246.db2.gz	AMNVTPSQHVAKEH-LLVKDONJSA-N	-1	0	317.411	0.947	20	30		DCEDRM
CO[C@@H]1CCn2cc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)nc2C1	ZINC001363645545	961618742	/nfs/dbraw/zinc/61/87/42/961618742.db2.gz	RTNVSMKUSZGPAQ-MRVPVSSYSA-N	-1	0	311.305	0.563	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)[O-]	ZINC001588823440	961647797	/nfs/dbraw/zinc/64/77/97/961647797.db2.gz	WWKLFGZWADMVEE-QWHCGFSZSA-N	-1	0	308.382	0.725	20	30		DCEDRM
CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCCCO1	ZINC001363695111	961709871	/nfs/dbraw/zinc/70/98/71/961709871.db2.gz	JJKQZCCMSFAKHL-NEPJUHHUSA-N	-1	0	320.349	0.284	20	30		DCEDRM
Cc1cc(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])nn1CCC#N	ZINC001571151362	961805943	/nfs/dbraw/zinc/80/59/43/961805943.db2.gz	VBVUJXNPLJYXQU-ZYHUDNBSSA-N	-1	0	321.337	0.716	20	30		DCEDRM
CC(C)C[C@H](C#N)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588845753	961857765	/nfs/dbraw/zinc/85/77/65/961857765.db2.gz	IGVYRWAEPAPICU-SNVBAGLBSA-N	-1	0	316.379	0.320	20	30		DCEDRM
N#CCCc1ccc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1	ZINC001571164818	961984261	/nfs/dbraw/zinc/98/42/61/961984261.db2.gz	GYNPWLQCXJLWPG-CQSZACIVSA-N	-1	0	324.358	0.353	20	30		DCEDRM
C#CCC1(C(=O)N[C@H](C)CCNC(=O)CNC(=O)[O-])CCC1	ZINC001573302567	962654689	/nfs/dbraw/zinc/65/46/89/962654689.db2.gz	CKUUISWCJRNPKF-LLVKDONJSA-N	-1	0	309.366	0.459	20	30		DCEDRM
C[C@@H]1CCC[C@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001364198209	962656365	/nfs/dbraw/zinc/65/63/65/962656365.db2.gz	PJXXOOJXDMJONY-PWSUYJOCSA-N	-1	0	319.365	0.698	20	30		DCEDRM
CC(C)c1cnc(Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)o1	ZINC001588972904	962670730	/nfs/dbraw/zinc/67/07/30/962670730.db2.gz	CREYNMFUBQVYOF-UHFFFAOYSA-N	-1	0	318.289	0.126	20	30		DCEDRM
O=C([O-])CCCCNC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC001574701970	962683408	/nfs/dbraw/zinc/68/34/08/962683408.db2.gz	FQGUTGRTSQTMLG-OUKQBFOZSA-N	-1	0	324.337	0.067	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H](O)c2c(F)cccc2F)c(C#N)c1=O	ZINC001364231254	962718230	/nfs/dbraw/zinc/71/82/30/962718230.db2.gz	SBBVPYPNPYLDTM-JTQLQIEISA-N	-1	0	322.271	0.369	20	30		DCEDRM
Cn1c(=O)[n-]c(N2C[C@@H](C3CC3)C[C@H]2C2CC2)c(C#N)c1=O	ZINC001364259355	962766323	/nfs/dbraw/zinc/76/63/23/962766323.db2.gz	WEORKARJPSSBSS-AAEUAGOBSA-N	-1	0	300.362	0.960	20	30		DCEDRM
C=C(C)CCC(=O)NCC[C@@H]1CCN(C(=O)CNC(=O)[O-])C1	ZINC001573323718	962774268	/nfs/dbraw/zinc/77/42/68/962774268.db2.gz	FTPUBDUWJOTHED-GFCCVEGCSA-N	-1	0	311.382	0.965	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1ccc(-n2cncn2)nc1	ZINC001573332135	962825973	/nfs/dbraw/zinc/82/59/73/962825973.db2.gz	DVGLSAZTQZJEDZ-UHFFFAOYSA-N	-1	0	301.306	0.700	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)NC1(CNC(=O)CNC(=O)[O-])CC1	ZINC001573338745	962878922	/nfs/dbraw/zinc/87/89/22/962878922.db2.gz	HKLAMTVFEGAJEY-UHFFFAOYSA-N	-1	0	317.773	0.798	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[C@@H]4C(=O)[O-])C[C@H]32)C1	ZINC001573344103	962913024	/nfs/dbraw/zinc/91/30/24/962913024.db2.gz	OFPQXZNXHVWDIN-JZRPKSSGSA-N	-1	0	318.373	0.636	20	30		DCEDRM
C=C(Cl)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573344137	962913270	/nfs/dbraw/zinc/91/32/70/962913270.db2.gz	PHWYTAKDXOVGKA-GHMZBOCLSA-N	-1	0	316.785	0.403	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H](NC(=O)CNC(=O)[O-])C1CC1	ZINC001573346438	962938316	/nfs/dbraw/zinc/93/83/16/962938316.db2.gz	ACQWIEDVAIJDDX-NHYWBVRUSA-N	-1	0	311.382	0.867	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(O)c1	ZINC001573346534	962938712	/nfs/dbraw/zinc/93/87/12/962938712.db2.gz	BOLBZMWYICXMHI-HIFRSBDPSA-N	-1	0	309.318	0.970	20	30		DCEDRM
C=CC(C)(C)CC(=O)N1CC[C@H](CNC(=O)CNC(=O)[O-])C1	ZINC001573347721	962951431	/nfs/dbraw/zinc/95/14/31/962951431.db2.gz	MZUUWYIOUYAXLF-LLVKDONJSA-N	-1	0	311.382	0.821	20	30		DCEDRM
C=CCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CNC(=O)[O-])C1	ZINC001573350226	962967814	/nfs/dbraw/zinc/96/78/14/962967814.db2.gz	GJZDPYAANGNJFW-NSHDSACASA-N	-1	0	311.382	0.821	20	30		DCEDRM
C=CCCOCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001573360153	963034438	/nfs/dbraw/zinc/03/44/38/963034438.db2.gz	IWGGUNIIZXVKRQ-NSHDSACASA-N	-1	0	320.349	0.202	20	30		DCEDRM
C=CCN1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)C1	ZINC001573368295	963077953	/nfs/dbraw/zinc/07/79/53/963077953.db2.gz	LTOUTFYKVYDRPY-ZIAGYGMSSA-N	-1	0	308.378	0.585	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000312437845	963561998	/nfs/dbraw/zinc/56/19/98/963561998.db2.gz	BDDPUJGRNWOCEC-ZCFIWIBFSA-N	-1	0	305.262	0.340	20	30		DCEDRM
CC[C@@]1(C)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001447812208	1013560392	/nfs/dbraw/zinc/56/03/92/1013560392.db2.gz	KRCKKHITTQITIQ-HNNXBMFYSA-N	-1	0	320.349	0.238	20	30		DCEDRM
C=C(Cl)CN(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001381552449	966528528	/nfs/dbraw/zinc/52/85/28/966528528.db2.gz	PMVASJQWPUKZFT-SSDOTTSWSA-N	-1	0	301.734	0.085	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001381757373	966665529	/nfs/dbraw/zinc/66/55/29/966665529.db2.gz	PMZJWOQLTDYOMI-QWRGUYRKSA-N	-1	0	306.370	0.531	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000126510770	967621740	/nfs/dbraw/zinc/62/17/40/967621740.db2.gz	MGZMPOCVWYAZKY-UHFFFAOYSA-N	-1	0	316.266	0.442	20	30		DCEDRM
C[C@H](NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1(C)CC1	ZINC001372848333	968458738	/nfs/dbraw/zinc/45/87/38/968458738.db2.gz	LDRZCUCKGWDNED-VIFPVBQESA-N	-1	0	305.338	0.308	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc2c1CCNC2=O	ZINC001609692943	970451734	/nfs/dbraw/zinc/45/17/34/970451734.db2.gz	GTKPGYXHLBGMOI-OAHLLOKOSA-N	-1	0	301.302	0.916	20	30		DCEDRM
CN1C(=O)NCC12CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC001604196000	972636522	/nfs/dbraw/zinc/63/65/22/972636522.db2.gz	GMZTZBOIRXHMGO-CYBMUJFWSA-N	-1	0	308.338	0.007	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)COc2cccc(C#N)c2)C1	ZINC001604526963	973481634	/nfs/dbraw/zinc/48/16/34/973481634.db2.gz	RQUQCUZJBJNSPP-MRXNPFEDSA-N	-1	0	318.329	0.887	20	30		DCEDRM
N#CCCCCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001605581584	973858092	/nfs/dbraw/zinc/85/80/92/973858092.db2.gz	CQBKVBFMERMCPM-NSHDSACASA-N	-1	0	310.354	0.445	20	30		DCEDRM
N#Cc1cc(CNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)ccn1	ZINC001605591996	973892174	/nfs/dbraw/zinc/89/21/74/973892174.db2.gz	MPEQWUYTWFQRHP-WCQYABFASA-N	-1	0	303.318	0.839	20	30		DCEDRM
N#Cc1cc(OCC(=O)NCC(=O)[O-])ccc1Br	ZINC001605597639	973901232	/nfs/dbraw/zinc/90/12/32/973901232.db2.gz	YJKITAIJHCVVBE-UHFFFAOYSA-N	-1	0	313.107	0.900	20	30		DCEDRM
N#Cc1ccc(N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)nn1	ZINC001605611063	973913009	/nfs/dbraw/zinc/91/30/09/973913009.db2.gz	AJBJIDUGKBTBNU-JTQLQIEISA-N	-1	0	315.333	0.250	20	30		DCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)[C@H](C)CC#N	ZINC001591720473	975652039	/nfs/dbraw/zinc/65/20/39/975652039.db2.gz	NNQAYSQRZITKNW-GHMZBOCLSA-N	-1	0	321.399	0.275	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC001592222344	977406976	/nfs/dbraw/zinc/40/69/76/977406976.db2.gz	VIOAHPUSJYYOBG-PWSUYJOCSA-N	-1	0	319.383	0.079	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC001592222345	977407133	/nfs/dbraw/zinc/40/71/33/977407133.db2.gz	VIOAHPUSJYYOBG-ZYHUDNBSSA-N	-1	0	319.383	0.079	20	30		DCEDRM
CC[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001595134642	979567755	/nfs/dbraw/zinc/56/77/55/979567755.db2.gz	ZVXZMGLHWJKKND-SNVBAGLBSA-N	-1	0	319.317	0.754	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1ncc(C(=O)[O-])s1	ZINC001592990285	980178120	/nfs/dbraw/zinc/17/81/20/980178120.db2.gz	PIVKFLNTKLONAH-BQBZGAKWSA-N	-1	0	320.334	0.743	20	30		DCEDRM
CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)[C@H](C)C#N	ZINC001449717804	1014646887	/nfs/dbraw/zinc/64/68/87/1014646887.db2.gz	XRIPFNDEFGWLIW-SECBINFHSA-N	-1	0	307.354	0.552	20	30		DCEDRM
CCC[C@@H](C)N1C[C@H](C(=O)N(CC#N)CCC(=O)[O-])CC1=O	ZINC001595578046	981498175	/nfs/dbraw/zinc/49/81/75/981498175.db2.gz	FMANMVOSQGREDG-VXGBXAGGSA-N	-1	0	309.366	0.850	20	30		DCEDRM
CC[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC001594744962	981628154	/nfs/dbraw/zinc/62/81/54/981628154.db2.gz	GJVGPVWYUCPBSS-GFCCVEGCSA-N	-1	0	302.334	0.713	20	30		DCEDRM
CC[C@H](C(=O)[O-])C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC001594745107	981629565	/nfs/dbraw/zinc/62/95/65/981629565.db2.gz	KYMITDCQSZDKCK-QWRGUYRKSA-N	-1	0	317.349	0.496	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ncc(Br)cn1	ZINC001524037034	1014828738	/nfs/dbraw/zinc/82/87/38/1014828738.db2.gz	HMENFRGIZXEGQD-MRVPVSSYSA-N	-1	0	309.123	0.840	20	30		DCEDRM
CC[C@@H](C)[C@H](NC(=O)COC(=O)c1cc(C#N)[nH]c1C)C(=O)[O-]	ZINC001594902043	982360533	/nfs/dbraw/zinc/36/05/33/982360533.db2.gz	BJRMPEQNCTWNDT-OQPBUACISA-N	-1	0	321.333	0.967	20	30		DCEDRM
C#C[C@@H](C)NC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1	ZINC001588368917	983308925	/nfs/dbraw/zinc/30/89/25/983308925.db2.gz	VBWNVABJHGRGLY-SNVBAGLBSA-N	-1	0	313.313	0.544	20	30		DCEDRM
C#C[C@@H](CCC)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001588369586	983315561	/nfs/dbraw/zinc/31/55/61/983315561.db2.gz	QHENHWZEFBWKOW-JTQLQIEISA-N	-1	0	306.322	0.133	20	30		DCEDRM
C#CC1(O)CCN(S(=O)(=O)c2cccc(C)c2C(=O)[O-])CC1	ZINC001588379562	983364865	/nfs/dbraw/zinc/36/48/65/983364865.db2.gz	LRQGIPPMPILICQ-UHFFFAOYSA-N	-1	0	323.370	0.842	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC001588383466	983381511	/nfs/dbraw/zinc/38/15/11/983381511.db2.gz	AMSZXDANICSZME-CYBMUJFWSA-N	-1	0	309.343	0.549	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC001588393023	983395846	/nfs/dbraw/zinc/39/58/46/983395846.db2.gz	AGMJKTQKDDUQIK-LBPRGKRZSA-N	-1	0	318.329	0.786	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001588396754	983409483	/nfs/dbraw/zinc/40/94/83/983409483.db2.gz	YUPNWQVVUKUDCE-LBPRGKRZSA-N	-1	0	323.370	0.465	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](CCC)CCCS(C)(=O)=O)C(=O)[O-]	ZINC001588398316	983411806	/nfs/dbraw/zinc/41/18/06/983411806.db2.gz	HPMJCYVXCQMYCN-NEPJUHHUSA-N	-1	0	317.407	0.820	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@]1(c2ccccc2)CNC(=O)C1)C(=O)[O-]	ZINC001588398623	983413783	/nfs/dbraw/zinc/41/37/83/983413783.db2.gz	LOGPUHLDDHPTFG-LRDDRELGSA-N	-1	0	300.314	0.037	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCN1CSCCSC1)C(=O)[O-]	ZINC001588404742	983418971	/nfs/dbraw/zinc/41/89/71/983418971.db2.gz	HKGQBIHWEFJUNZ-SNVBAGLBSA-N	-1	0	302.421	0.666	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@H](n1ccnc1)C(F)(F)F)C(=O)[O-]	ZINC001588405180	983420426	/nfs/dbraw/zinc/42/04/26/983420426.db2.gz	DLACQSSLKQJVRJ-IUCAKERBSA-N	-1	0	303.240	0.969	20	30		DCEDRM
C#CC[C@H](NC(=O)C1CCC(S(C)(=O)=O)CC1)C(=O)[O-]	ZINC001588406042	983423682	/nfs/dbraw/zinc/42/36/82/983423682.db2.gz	LSLPKDBKUQRUHE-ILDUYXDCSA-N	-1	0	301.364	0.183	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cn(CCOC)c(C)cc1=O)C(=O)[O-]	ZINC001588417170	983438688	/nfs/dbraw/zinc/43/86/88/983438688.db2.gz	ZLFFSKQDFPHMMJ-GFCCVEGCSA-N	-1	0	306.318	0.009	20	30		DCEDRM
C#CCC1(C(=O)N(C)CCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001588428294	983461094	/nfs/dbraw/zinc/46/10/94/983461094.db2.gz	JHZJBINKMXIFIX-OLZOCXBDSA-N	-1	0	320.389	0.865	20	30		DCEDRM
C#CCC1(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001588428675	983463116	/nfs/dbraw/zinc/46/31/16/983463116.db2.gz	XIONCXIHSPGAGY-JXLSXLBDSA-N	-1	0	318.373	0.689	20	30		DCEDRM
C#CCCCC(=O)N[C@@H](C)CN(C)c1ncc(C(=O)[O-])cn1	ZINC001588435052	983474382	/nfs/dbraw/zinc/47/43/82/983474382.db2.gz	AQTKFVFRANXQEH-NSHDSACASA-N	-1	0	304.350	0.919	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001588464664	983493835	/nfs/dbraw/zinc/49/38/35/983493835.db2.gz	BSNQBHBIJPGCFN-GUYCJALGSA-N	-1	0	316.357	0.185	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588466117	983498283	/nfs/dbraw/zinc/49/82/83/983498283.db2.gz	VXZRNXZEKPONTL-PHIMTYICSA-N	-1	0	310.350	0.836	20	30		DCEDRM
C#CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001588467743	983499475	/nfs/dbraw/zinc/49/94/75/983499475.db2.gz	DVJCSTIUTRDFDF-UHFFFAOYSA-N	-1	0	312.303	0.937	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001588479187	983517891	/nfs/dbraw/zinc/51/78/91/983517891.db2.gz	BHFXXOYKJCBKBU-SNVBAGLBSA-N	-1	0	307.306	0.043	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)CCCCCC(=O)[O-])CC1	ZINC001588479369	983519094	/nfs/dbraw/zinc/51/90/94/983519094.db2.gz	LEKWLSSAXLQCMZ-UHFFFAOYSA-N	-1	0	302.396	0.212	20	30		DCEDRM
C#CCNCC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2	ZINC001588485259	983524978	/nfs/dbraw/zinc/52/49/78/983524978.db2.gz	JXDIFHILEHCJHT-UHFFFAOYSA-N	-1	0	304.302	0.707	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001588490057	983530556	/nfs/dbraw/zinc/53/05/56/983530556.db2.gz	GGNBLZHBTFADKO-NSHDSACASA-N	-1	0	318.329	0.407	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)NC[C@H](O)CC(=O)[O-]	ZINC001588498812	983544358	/nfs/dbraw/zinc/54/43/58/983544358.db2.gz	HQWPXQUVQSNATQ-SNVBAGLBSA-N	-1	0	310.281	0.795	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cc1	ZINC001588499438	983545825	/nfs/dbraw/zinc/54/58/25/983545825.db2.gz	ZXFCKYFPLCCXSY-CYBMUJFWSA-N	-1	0	316.313	0.066	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001588504659	983548544	/nfs/dbraw/zinc/54/85/44/983548544.db2.gz	HPRCLOOFUMFUFO-VIFPVBQESA-N	-1	0	308.265	0.176	20	30		DCEDRM
C#CCSCCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588506450	983551608	/nfs/dbraw/zinc/55/16/08/983551608.db2.gz	REOYCXSMLPPFGK-SMDDNHRTSA-N	-1	0	312.391	0.486	20	30		DCEDRM
C#CCSCCNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001588509977	983554385	/nfs/dbraw/zinc/55/43/85/983554385.db2.gz	WLHYUPGHYHFYTK-UHFFFAOYSA-N	-1	0	314.388	0.733	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	ZINC001588511018	983558384	/nfs/dbraw/zinc/55/83/84/983558384.db2.gz	RMUTXURIKFIADD-QVDOCOBGSA-N	-1	0	318.373	0.664	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1	ZINC001588517612	983565630	/nfs/dbraw/zinc/56/56/30/983565630.db2.gz	XIZGUKLWPJLUHH-BJHJDKERSA-N	-1	0	300.314	0.928	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588533977	983585119	/nfs/dbraw/zinc/58/51/19/983585119.db2.gz	CNSSIVCMAOXZLX-TYNCELHUSA-N	-1	0	312.366	0.853	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC(CC(=O)[O-])C1	ZINC001588535048	983587887	/nfs/dbraw/zinc/58/78/87/983587887.db2.gz	JWNVOONSVGHYTN-KMMRNIFNSA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1)C(=O)[O-]	ZINC001588536825	983595769	/nfs/dbraw/zinc/59/57/69/983595769.db2.gz	FJLLGNKXUNYSBH-VXGBXAGGSA-N	-1	0	306.322	0.449	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001588536996	983597136	/nfs/dbraw/zinc/59/71/36/983597136.db2.gz	WJAICEBLEKPBAK-WDEREUQCSA-N	-1	0	303.380	0.894	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588543742	983612383	/nfs/dbraw/zinc/61/23/83/983612383.db2.gz	NDXNCKMZUJAVJA-NXEZZACHSA-N	-1	0	316.354	0.408	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC001588555299	983634329	/nfs/dbraw/zinc/63/43/29/983634329.db2.gz	DUHIDIGDKWCNJO-LBPRGKRZSA-N	-1	0	313.379	0.991	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588599555	983690574	/nfs/dbraw/zinc/69/05/74/983690574.db2.gz	WRULIGYWGNIDCX-ITDIGPHOSA-N	-1	0	308.334	0.800	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)c1ccc(C(=O)[O-])cn1	ZINC001596299319	983723231	/nfs/dbraw/zinc/72/32/31/983723231.db2.gz	BLQMINAPDGJRNN-UHFFFAOYSA-N	-1	0	305.290	0.699	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N[C@H](CCC(=O)[O-])C(=O)OC	ZINC001588632854	983746351	/nfs/dbraw/zinc/74/63/51/983746351.db2.gz	CIDSCVCLJRMZCX-SECBINFHSA-N	-1	0	301.295	0.018	20	30		DCEDRM
C=C1CCC(C(=O)NCCNc2ccnc(C(=O)[O-])n2)CC1	ZINC001588650109	983772055	/nfs/dbraw/zinc/77/20/55/983772055.db2.gz	YSPGHNJOFRQDLJ-UHFFFAOYSA-N	-1	0	304.350	0.871	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1	ZINC001588668821	983806881	/nfs/dbraw/zinc/80/68/81/983806881.db2.gz	ACFZOEDPROYPKR-LLVKDONJSA-N	-1	0	312.366	0.947	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C2	ZINC001588672476	983825406	/nfs/dbraw/zinc/82/54/06/983825406.db2.gz	SQVQVFNESUMIBQ-NWDGAFQWSA-N	-1	0	320.389	0.980	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001588684899	983865465	/nfs/dbraw/zinc/86/54/65/983865465.db2.gz	ZYVFITYPJCHTEC-HNNXBMFYSA-N	-1	0	320.349	0.151	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1CC1CC1	ZINC001588704574	983924691	/nfs/dbraw/zinc/92/46/91/983924691.db2.gz	GWKFDKWWZPTDTO-GHMZBOCLSA-N	-1	0	308.338	0.197	20	30		DCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588735924	984021715	/nfs/dbraw/zinc/02/17/15/984021715.db2.gz	PCYZEYHRGNPPPN-BMIGLBTASA-N	-1	0	323.349	0.289	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001588743946	984040258	/nfs/dbraw/zinc/04/02/58/984040258.db2.gz	FUFFHEIPGWVNKJ-MRVPVSSYSA-N	-1	0	310.281	0.516	20	30		DCEDRM
C=CCC1(O)CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1	ZINC001588768760	984130993	/nfs/dbraw/zinc/13/09/93/984130993.db2.gz	DWKNRXVGPVIOES-UHFFFAOYSA-N	-1	0	317.407	0.974	20	30		DCEDRM
C=CC[C@@H]1CCCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1	ZINC001588771409	984139810	/nfs/dbraw/zinc/13/98/10/984139810.db2.gz	TYKUPAPDASWPSB-LLVKDONJSA-N	-1	0	307.354	0.974	20	30		DCEDRM
C=CCCC(=O)N(C)C[C@@H](O)CNc1ncc(C(=O)[O-])cn1	ZINC001588774009	984150445	/nfs/dbraw/zinc/15/04/45/984150445.db2.gz	ORDCBWBYFZXQTR-NSHDSACASA-N	-1	0	308.338	0.372	20	30		DCEDRM
C=CCCC(=O)NC[C@H](Nc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001588774096	984150914	/nfs/dbraw/zinc/15/09/14/984150914.db2.gz	SQSZPFWLCJUCTM-NSHDSACASA-N	-1	0	304.350	0.870	20	30		DCEDRM
C=CCC[C@H](NC(=O)Cn1cc(C(=O)[O-])cn1)C(=O)OCC	ZINC001588778639	984161934	/nfs/dbraw/zinc/16/19/34/984161934.db2.gz	HTXIYNTXFCGYKM-NSHDSACASA-N	-1	0	309.322	0.595	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)C1=C(C)OCCS1(=O)=O)C(=O)[O-]	ZINC001588790471	984206444	/nfs/dbraw/zinc/20/64/44/984206444.db2.gz	XJBAEZUPVWEREG-SNVBAGLBSA-N	-1	0	317.363	0.589	20	30		DCEDRM
C=CCN(C)CCN(CC)S(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001588822836	984291621	/nfs/dbraw/zinc/29/16/21/984291621.db2.gz	SXJNIIHIGQFCFG-UHFFFAOYSA-N	-1	0	304.412	0.763	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C(=O)[O-])n2C)C1=O	ZINC001588837288	984333711	/nfs/dbraw/zinc/33/37/11/984333711.db2.gz	XPBBBWUFMRKAIE-LLVKDONJSA-N	-1	0	305.334	0.582	20	30		DCEDRM
C=CCOCC(=O)N(C)C1CC(Nc2ncc(C(=O)[O-])cn2)C1	ZINC001588849891	984376078	/nfs/dbraw/zinc/37/60/78/984376078.db2.gz	NXQCUWABAYOEAD-UHFFFAOYSA-N	-1	0	320.349	0.779	20	30		DCEDRM
C=CCOCC(=O)NC[C@@H](C)N(C)c1ncc(C(=O)[O-])cn1	ZINC001588850900	984381284	/nfs/dbraw/zinc/38/12/84/984381284.db2.gz	JWYPZQMYLRMJJU-SNVBAGLBSA-N	-1	0	308.338	0.318	20	30		DCEDRM
C=CCOCC(=O)NC1CC(CNc2ncc(C(=O)[O-])cn2)C1	ZINC001588851183	984383490	/nfs/dbraw/zinc/38/34/90/984383490.db2.gz	XSFPFJQRQOLECY-UHFFFAOYSA-N	-1	0	320.349	0.684	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CN1CSCCSC1)C(=O)[O-]	ZINC001588853865	984386734	/nfs/dbraw/zinc/38/67/34/984386734.db2.gz	JZOCOSZZXKXOEQ-SNVBAGLBSA-N	-1	0	320.436	0.455	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCN(C2CC2)C1=O)C(=O)[O-]	ZINC001588855220	984391018	/nfs/dbraw/zinc/39/10/18/984391018.db2.gz	DDSJRTKRMMRSTJ-VXGBXAGGSA-N	-1	0	310.350	0.159	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001588856102	984396874	/nfs/dbraw/zinc/39/68/74/984396874.db2.gz	CJQOZDGFENSKJN-CQSZACIVSA-N	-1	0	318.329	0.903	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001588856100	984397230	/nfs/dbraw/zinc/39/72/30/984397230.db2.gz	CJQOZDGFENSKJN-AWEZNQCLSA-N	-1	0	318.329	0.903	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1[nH]nc2c1cccc2OC)C(=O)[O-]	ZINC001588860330	984412229	/nfs/dbraw/zinc/41/22/29/984412229.db2.gz	QLIXRJXXHMOIER-SNVBAGLBSA-N	-1	0	319.317	0.957	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)C[C@@]1(C)CC1(F)F)C(=O)[O-]	ZINC001588866044	984422506	/nfs/dbraw/zinc/42/25/06/984422506.db2.gz	HYFFHXLSMXNGTA-WCBMZHEXSA-N	-1	0	313.322	0.607	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC001588866659	984426863	/nfs/dbraw/zinc/42/68/63/984426863.db2.gz	PUCRLEIIGNPSOI-LBPRGKRZSA-N	-1	0	310.331	0.492	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001588869002	984437265	/nfs/dbraw/zinc/43/72/65/984437265.db2.gz	KBANAICCSUJPFV-UHFFFAOYSA-N	-1	0	306.318	0.951	20	30		DCEDRM
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588889914	984482615	/nfs/dbraw/zinc/48/26/15/984482615.db2.gz	HDRFJPJQVOBVSF-SECBINFHSA-N	-1	0	303.326	0.171	20	30		DCEDRM
C=CCn1cc(C(=O)Nc2c(C(=O)[O-])c[nH]c2C(=O)OC)nn1	ZINC001588910125	984547954	/nfs/dbraw/zinc/54/79/54/984547954.db2.gz	MELRZHCGHGKICY-UHFFFAOYSA-N	-1	0	319.277	0.529	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC001588931003	984600637	/nfs/dbraw/zinc/60/06/37/984600637.db2.gz	ICTPWNAYXQRDRH-UHFFFAOYSA-N	-1	0	304.302	0.814	20	30		DCEDRM
C[C@H]1CN(C(=O)c2cc(C(=O)[O-])ccn2)C[C@H](C)N1CC#N	ZINC001594488653	985585005	/nfs/dbraw/zinc/58/50/05/985585005.db2.gz	HMNSPNPUEPPVKW-QWRGUYRKSA-N	-1	0	302.334	0.838	20	30		DCEDRM
C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])n2C)C[C@H](C)N1CC#N	ZINC001594492467	985602365	/nfs/dbraw/zinc/60/23/65/985602365.db2.gz	AMKAKFYGYPHOJV-QWRGUYRKSA-N	-1	0	304.350	0.782	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001599975135	986077759	/nfs/dbraw/zinc/07/77/59/986077759.db2.gz	TVXASOBNIFIWQU-UWVGGRQHSA-N	-1	0	318.333	0.966	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001589329149	986160868	/nfs/dbraw/zinc/16/08/68/986160868.db2.gz	JXSHSINXBNNWBC-ZJUUUORDSA-N	-1	0	313.354	0.972	20	30		DCEDRM
C[C@H](C#N)CN(C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)C1CC1	ZINC001589329932	986169182	/nfs/dbraw/zinc/16/91/82/986169182.db2.gz	WNVWKOQBIDSENZ-SECBINFHSA-N	-1	0	318.333	0.812	20	30		DCEDRM
C[C@H](C#N)CNC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001589331043	986183020	/nfs/dbraw/zinc/18/30/20/986183020.db2.gz	ZAKRELSDCDTSMA-ABAIWWIYSA-N	-1	0	309.366	0.937	20	30		DCEDRM
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001594584048	986455101	/nfs/dbraw/zinc/45/51/01/986455101.db2.gz	VIVHHNIYKMUAQA-GARJFASQSA-N	-1	0	315.333	0.106	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](O)CC(=O)[O-]	ZINC001597055552	986532067	/nfs/dbraw/zinc/53/20/67/986532067.db2.gz	ABAFPAZSAWCPCC-JTQLQIEISA-N	-1	0	307.306	0.914	20	30		DCEDRM
CC(C)(C)OC(=O)N1CCCN(C(=O)CC#N)[C@H](C(=O)[O-])C1	ZINC001590030485	989030802	/nfs/dbraw/zinc/03/08/02/989030802.db2.gz	CWABRYWRUFIVED-JTQLQIEISA-N	-1	0	311.338	0.823	20	30		DCEDRM
CC(C)(C)OC(=O)NCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001590148322	989440548	/nfs/dbraw/zinc/44/05/48/989440548.db2.gz	XNUNJMGMSGPVDP-UHFFFAOYSA-N	-1	0	311.338	0.728	20	30		DCEDRM
CN(C(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001597990901	990087128	/nfs/dbraw/zinc/08/71/28/990087128.db2.gz	VTCMNCQPYVTXTC-JGZJWPJOSA-N	-1	0	319.292	0.957	20	30		DCEDRM
CN(C(=O)COC(=O)c1ccnc(C(=O)[O-])c1)C(C)(C)C#N	ZINC001598029312	990245719	/nfs/dbraw/zinc/24/57/19/990245719.db2.gz	OCPPJZOUZSZUHM-UHFFFAOYSA-N	-1	0	305.290	0.697	20	30		DCEDRM
CC(C)C#CC(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-]	ZINC001590927133	990930920	/nfs/dbraw/zinc/93/09/20/990930920.db2.gz	SHRPQTQEAGONPQ-WDEREUQCSA-N	-1	0	312.391	0.527	20	30		DCEDRM
CC(C)C(=O)NCCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001590939953	990978655	/nfs/dbraw/zinc/97/86/55/990978655.db2.gz	IAURHBHCQCVPIT-UHFFFAOYSA-N	-1	0	310.354	0.159	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001590961641	991060503	/nfs/dbraw/zinc/06/05/03/991060503.db2.gz	UHNOTDFSMLGXIN-RBZYPMLTSA-N	-1	0	312.322	0.216	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC001598468463	991987771	/nfs/dbraw/zinc/98/77/71/991987771.db2.gz	CYQSVVDJIMGFOY-LBPRGKRZSA-N	-1	0	317.411	0.947	20	30		DCEDRM
CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccncc1C#N	ZINC001598480593	992143440	/nfs/dbraw/zinc/14/34/40/992143440.db2.gz	WXQHFECKXDSDPB-NWDGAFQWSA-N	-1	0	302.334	0.616	20	30		DCEDRM
CS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C#N)c(C(=O)[O-])c1	ZINC001599771430	992248716	/nfs/dbraw/zinc/24/87/16/992248716.db2.gz	LVSKVHUCXKGJRI-VXNVDRBHSA-N	-1	0	308.315	0.886	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)C#Cc1cccs1)C(=O)[O-]	ZINC001591453795	992561335	/nfs/dbraw/zinc/56/13/35/992561335.db2.gz	SEOLNEOFTCOBPB-LBPRGKRZSA-N	-1	0	322.386	0.831	20	30		DCEDRM
CC[C@@](C)([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(N)=O	ZINC001464669085	1015934914	/nfs/dbraw/zinc/93/49/14/1015934914.db2.gz	REUOOERZRLJHKB-GFCCVEGCSA-N	-1	0	317.317	0.769	20	30		DCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001593641682	995954396	/nfs/dbraw/zinc/95/43/96/995954396.db2.gz	YLHXXRFBIREZLT-ZKYQVNSYSA-N	-1	0	318.329	0.931	20	30		DCEDRM
COC(=O)C[C@H](NC(=O)/C=C\c1ccccc1C#N)C(=O)[O-]	ZINC001598836498	996489955	/nfs/dbraw/zinc/48/99/55/996489955.db2.gz	DPXUKMWQVGMQNO-DGMVEKRQSA-N	-1	0	302.286	0.704	20	30		DCEDRM
COC(=O)CN(CC#N)Cc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC001598861419	996677938	/nfs/dbraw/zinc/67/79/38/996677938.db2.gz	ZNTYQPJWNLNQAC-UHFFFAOYSA-N	-1	0	320.301	0.670	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1ccnc(N(C)C)n1	ZINC001466422831	1016075849	/nfs/dbraw/zinc/07/58/49/1016075849.db2.gz	AQUOSGXMBCORMP-UHFFFAOYSA-N	-1	0	312.333	0.753	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(c2nnc(CCCCC#N)n2C)C1	ZINC001599080461	996985603	/nfs/dbraw/zinc/98/56/03/996985603.db2.gz	KVCPXFJCWXVBAF-CQSZACIVSA-N	-1	0	307.354	0.731	20	30		DCEDRM
CCOc1ccccc1NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001413926684	997016933	/nfs/dbraw/zinc/01/69/33/997016933.db2.gz	AEFGFQXHSHGQHF-UHFFFAOYSA-N	-1	0	314.301	0.446	20	30		DCEDRM
C[C@]1(CCC(=O)[O-])NC(=O)N(CN2CC[C@](F)(C#N)C2)C1=O	ZINC001594003160	997393388	/nfs/dbraw/zinc/39/33/88/997393388.db2.gz	QHUSBSQICQLDGJ-OLZOCXBDSA-N	-1	0	312.301	0.057	20	30		DCEDRM
C[C@@]1(CCC(=O)[O-])NC(=O)N(CN2CC[C@@](F)(C#N)C2)C1=O	ZINC001594003161	997394583	/nfs/dbraw/zinc/39/45/83/997394583.db2.gz	QHUSBSQICQLDGJ-QWHCGFSZSA-N	-1	0	312.301	0.057	20	30		DCEDRM
COC[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001599206446	997416221	/nfs/dbraw/zinc/41/62/21/997416221.db2.gz	LIXRJNWBGIKQRZ-NSHDSACASA-N	-1	0	324.358	0.913	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)Cc2noc(C)c2C#N)[C@H](C(=O)[O-])C1	ZINC001599117468	997679976	/nfs/dbraw/zinc/67/99/76/997679976.db2.gz	HHOFKPKFOAVTQP-SKDRFNHKSA-N	-1	0	307.306	0.488	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)/C=C/C(=O)[O-]	ZINC001599350387	998083207	/nfs/dbraw/zinc/08/32/07/998083207.db2.gz	OMHUREKNRFYYIM-SWTNXBIASA-N	-1	0	310.331	0.874	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@H]1C	ZINC001511159269	1016195314	/nfs/dbraw/zinc/19/53/14/1016195314.db2.gz	JSVVUQJYVCKUTF-RYUDHWBXSA-N	-1	0	318.377	0.946	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCC#Cc1ccccc1	ZINC001594138730	998412808	/nfs/dbraw/zinc/41/28/08/998412808.db2.gz	OGDDSMIVPKXPQV-OCCSQVGLSA-N	-1	0	314.341	0.476	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@]2(C3CCCC3)CCNC2=O)[n-]c1C#N	ZINC001469567514	1016346802	/nfs/dbraw/zinc/34/68/02/1016346802.db2.gz	RXGHWSRAIMCJOJ-OAHLLOKOSA-N	-1	0	312.333	0.788	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC[C@@H]2CCCOC2)c(=O)[n-]c1=O	ZINC001418553878	1000339357	/nfs/dbraw/zinc/33/93/57/1000339357.db2.gz	FIKSXOGTRPEWCX-NSHDSACASA-N	-1	0	320.349	0.144	20	30		DCEDRM
C=C(Cl)CN(C)CCN(C)C(=O)c1c[n-]n2c1nccc2=O	ZINC001401399370	1000407518	/nfs/dbraw/zinc/40/75/18/1000407518.db2.gz	KXBIYERCQWYNDY-UHFFFAOYSA-N	-1	0	323.784	0.779	20	30		DCEDRM
Cc1ncc([C@@H](C)NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001418898810	1000599028	/nfs/dbraw/zinc/59/90/28/1000599028.db2.gz	XFFZEOPYFWRUTF-SSDOTTSWSA-N	-1	0	319.346	0.463	20	30		DCEDRM
C=CCOCC(=O)NC1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001511930641	1016503924	/nfs/dbraw/zinc/50/39/24/1016503924.db2.gz	AJLRQCSBVYRQRP-UHFFFAOYSA-N	-1	0	322.365	0.346	20	30		DCEDRM
CC(C)(C)OC(=O)NC[C@H](O)C(=O)[N-]Oc1cccc(C#N)c1	ZINC001471085840	1016527178	/nfs/dbraw/zinc/52/71/78/1016527178.db2.gz	MRQJKDVPJJHVGH-LBPRGKRZSA-N	-1	0	321.333	0.854	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@]23C[C@H]2CCCC3)c(=O)[n-]c1=O	ZINC001471112421	1016531585	/nfs/dbraw/zinc/53/15/85/1016531585.db2.gz	NAFNBROUBUXKNU-IAQYHMDHSA-N	-1	0	302.334	0.660	20	30		DCEDRM
N#Cc1ccc(O[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]3)C2)nc1	ZINC001420965553	1003183203	/nfs/dbraw/zinc/18/32/03/1003183203.db2.gz	XHVFQUHDTIFXHJ-SECBINFHSA-N	-1	0	300.278	0.070	20	30		DCEDRM
CCO[C@@H]1C[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)[C@@H]1SC	ZINC001421161468	1003394655	/nfs/dbraw/zinc/39/46/55/1003394655.db2.gz	QEAAPPVOYDLBPJ-BBBLOLIVSA-N	-1	0	310.379	0.266	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)[C@@H](CC#N)c2ccccc2)n[n-]1	ZINC001472498271	1016813585	/nfs/dbraw/zinc/81/35/85/1016813585.db2.gz	LJDIRWPBFCNVFG-JTQLQIEISA-N	-1	0	319.346	0.844	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](CO)CC2CCCCC2)c(C#N)c1=O	ZINC001472811777	1016856699	/nfs/dbraw/zinc/85/66/99/1016856699.db2.gz	PFDGUPINVFMXLZ-LLVKDONJSA-N	-1	0	306.366	0.688	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2nc3c([nH]2)CCCC3)c(C#N)c1=O	ZINC001472887254	1016865598	/nfs/dbraw/zinc/86/55/98/1016865598.db2.gz	RUVHMQQVLDMLDE-UHFFFAOYSA-N	-1	0	300.322	0.159	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H](NC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001427644698	1004507195	/nfs/dbraw/zinc/50/71/95/1004507195.db2.gz	MQXXDEJGSUJLJG-SCZZXKLOSA-N	-1	0	305.338	0.304	20	30		DCEDRM
COC[C@@]1(C)CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1	ZINC001473688523	1016958667	/nfs/dbraw/zinc/95/86/67/1016958667.db2.gz	AYMJEZCRFZIDSQ-OAHLLOKOSA-N	-1	0	317.349	0.544	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2CCCSC2)c(=O)[n-]c1=O	ZINC001417883488	1005914833	/nfs/dbraw/zinc/91/48/33/1005914833.db2.gz	ROECPJJZYYLMOB-SNVBAGLBSA-N	-1	0	308.363	0.222	20	30		DCEDRM
C[C@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)CC(F)F	ZINC001418162518	1006117673	/nfs/dbraw/zinc/11/76/73/1006117673.db2.gz	FGFPCEQAEFSMAU-ZETCQYMHSA-N	-1	0	300.265	0.228	20	30		DCEDRM
C=CCOCC(=O)N(C)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001508815865	1017044651	/nfs/dbraw/zinc/04/46/51/1017044651.db2.gz	QXMQEJQAXCDGFW-SECBINFHSA-N	-1	0	310.354	0.203	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CCCS(=O)(=O)c2ccccc2)c1=O	ZINC001421412069	1008543431	/nfs/dbraw/zinc/54/34/31/1008543431.db2.gz	ZDARHFWCBKGHFC-UHFFFAOYSA-N	-1	0	319.342	0.272	20	30		DCEDRM
C[C@H]1CCC[C@H](CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001433631574	1009022610	/nfs/dbraw/zinc/02/26/10/1009022610.db2.gz	MPZUVUHTDGEWFU-QWRGUYRKSA-N	-1	0	304.350	0.763	20	30		DCEDRM
CCCCn1nccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001433637964	1009029459	/nfs/dbraw/zinc/02/94/59/1009029459.db2.gz	OGTJKRFUPHPWHB-UHFFFAOYSA-N	-1	0	316.321	0.456	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c(F)c1	ZINC001433665611	1009044175	/nfs/dbraw/zinc/04/41/75/1009044175.db2.gz	RVEDDSCBQNKDEJ-NSHDSACASA-N	-1	0	302.269	0.424	20	30		DCEDRM
CCOC[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001433776483	1009170024	/nfs/dbraw/zinc/17/00/24/1009170024.db2.gz	ZBENDTOKYIWMDC-LLVKDONJSA-N	-1	0	320.349	0.096	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](C)S(=O)(=O)CC1	ZINC001433901730	1009326472	/nfs/dbraw/zinc/32/64/72/1009326472.db2.gz	ADGPFRJHSOBDEF-JTQLQIEISA-N	-1	0	323.374	0.617	20	30		DCEDRM
CCOC(=O)Cn1cnc(NC(=O)c2ccc(C#N)c([O-])c2)n1	ZINC001434116058	1009582646	/nfs/dbraw/zinc/58/26/46/1009582646.db2.gz	GISXJJNECCNKSC-UHFFFAOYSA-N	-1	0	315.289	0.671	20	30		DCEDRM
COC(=O)[C@@](C)(CCF)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001434191057	1009646782	/nfs/dbraw/zinc/64/67/82/1009646782.db2.gz	RETDQAPWAIAAKZ-CQSZACIVSA-N	-1	0	309.297	0.988	20	30		DCEDRM
COc1ccc(NC(=O)CCCn2c(=O)[n-][nH]c2=O)cc1C#N	ZINC001434297832	1009732205	/nfs/dbraw/zinc/73/22/05/1009732205.db2.gz	SACCXLFEVGCKQS-UHFFFAOYSA-N	-1	0	317.305	0.988	20	30		DCEDRM
CC(C)Oc1ncccc1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001434441007	1009958526	/nfs/dbraw/zinc/95/85/26/1009958526.db2.gz	LJFCKSQVAAQNNR-UHFFFAOYSA-N	-1	0	315.333	0.740	20	30		DCEDRM
C[C@@H](CNC(=O)OC(C)(C)C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001434448131	1009966966	/nfs/dbraw/zinc/96/69/66/1009966966.db2.gz	XYPXNGOUJGLCFQ-QMMMGPOBSA-N	-1	0	323.353	0.270	20	30		DCEDRM
CC[C@H](C)C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC	ZINC001434449354	1009967131	/nfs/dbraw/zinc/96/71/31/1009967131.db2.gz	UKXNSOVOVBBLFG-WPRPVWTQSA-N	-1	0	308.338	0.335	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H](C(=O)N(C)C)C1	ZINC001456154386	1010109483	/nfs/dbraw/zinc/10/94/83/1010109483.db2.gz	SAXBJWLDCCECSO-LLVKDONJSA-N	-1	0	316.361	0.908	20	30		DCEDRM
CCOC(=O)C1(CNc2[n-]c(=O)n(C)c(=O)c2C#N)CCCC1	ZINC001458675553	1012284684	/nfs/dbraw/zinc/28/46/84/1012284684.db2.gz	IKRCQOCBNWVFFJ-UHFFFAOYSA-N	-1	0	320.349	0.481	20	30		DCEDRM
N#Cc1c(NC(=O)c2cccc[n+]2[O-])[nH]nc1N1CCOCC1	ZINC001557896725	1012305024	/nfs/dbraw/zinc/30/50/24/1012305024.db2.gz	XGRIOLJOURTUCD-UHFFFAOYSA-N	-1	0	314.305	0.004	20	30		DCEDRM
Cn1c2ccccc2nc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001558253343	1012339626	/nfs/dbraw/zinc/33/96/26/1012339626.db2.gz	VROWWVBIIRSQJZ-UHFFFAOYSA-N	-1	0	324.300	0.346	20	30		DCEDRM
C=C1CCC(CNS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CC1	ZINC001561905666	1012478025	/nfs/dbraw/zinc/47/80/25/1012478025.db2.gz	XBLLOEOKEWHWQA-UHFFFAOYSA-N	-1	0	313.379	0.511	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)CCCc2nnn[n-]2)nc1	ZINC001543450307	1012521059	/nfs/dbraw/zinc/52/10/59/1012521059.db2.gz	VMRQOYGCZQUDNP-UHFFFAOYSA-N	-1	0	300.326	0.017	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NCCCC(F)F)c(=O)[n-]c1=O	ZINC001565325696	1012548056	/nfs/dbraw/zinc/54/80/56/1012548056.db2.gz	CSXJZIUCQDBOEQ-UHFFFAOYSA-N	-1	0	315.280	0.165	20	30		DCEDRM
Cn1nc(C2CCOCC2)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001515373212	1017121023	/nfs/dbraw/zinc/12/10/23/1017121023.db2.gz	YAOMFZVJRWNRRB-LBPRGKRZSA-N	-1	0	316.361	0.915	20	30		DCEDRM
CO[C@@H]1COCC[C@@H]1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC001517369467	1017167550	/nfs/dbraw/zinc/16/75/50/1017167550.db2.gz	KYXWRBUWUKQOOO-NTZNESFSSA-N	-1	0	305.334	0.753	20	30		DCEDRM
COCC#CCN1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C(C)(C)C1	ZINC001506735750	1017488233	/nfs/dbraw/zinc/48/82/33/1017488233.db2.gz	CYRLCLWGRTYDIK-LBPRGKRZSA-N	-1	0	320.393	0.514	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1CCN(CC#N)C1	ZINC001493267182	1019269930	/nfs/dbraw/zinc/26/99/30/1019269930.db2.gz	NOWYBFMXFURUAF-SECBINFHSA-N	-1	0	320.315	0.405	20	30		DCEDRM
CS(=O)(=O)[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001607366464	1170438654	/nfs/dbraw/zinc/43/86/54/1170438654.db2.gz	GGIRMVHESCYXKH-QWHCGFSZSA-N	-1	0	308.359	0.803	20	30		DCEDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cc1	ZINC000187728091	529944308	/nfs/dbraw/zinc/94/43/08/529944308.db2.gz	DGWZZVWNKHMAGJ-UHFFFAOYSA-N	-1	0	319.346	0.452	20	30		DCEDRM
N#CCCN(Cc1ccco1)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000275006730	238306193	/nfs/dbraw/zinc/30/61/93/238306193.db2.gz	PDZFQQHKLIWQKY-UHFFFAOYSA-N	-1	0	307.335	0.726	20	30		DCEDRM
N#CCCN(Cc1cccnc1)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000362339506	239101032	/nfs/dbraw/zinc/10/10/32/239101032.db2.gz	LLGNWNPARZVABZ-UHFFFAOYSA-N	-1	0	318.362	0.940	20	30		DCEDRM
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC(C)(C#N)C2)c1	ZINC000361210273	239087572	/nfs/dbraw/zinc/08/75/72/239087572.db2.gz	XNGFXOUBKBWVMD-UHFFFAOYSA-N	-1	0	323.374	0.628	20	30		DCEDRM
COCC1(C(=O)[O-])CCN(S(=O)(=O)CCCC#N)CC1	ZINC000370544912	239178014	/nfs/dbraw/zinc/17/80/14/239178014.db2.gz	YAUYHBRJHHCMJM-UHFFFAOYSA-N	-1	0	304.368	0.433	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ccc(C#N)cc2)C1	ZINC000420533518	240042881	/nfs/dbraw/zinc/04/28/81/240042881.db2.gz	RMHYLTNXLFHJJK-INIZCTEOSA-N	-1	0	315.329	0.498	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000496247730	241238911	/nfs/dbraw/zinc/23/89/11/241238911.db2.gz	POLBHVYYKMHNAW-DTWKUNHWSA-N	-1	0	317.367	0.259	20	30		DCEDRM
N#Cc1cccc(CN(CC(=O)[O-])S(=O)(=O)N2CCCC2)c1	ZINC000275090367	212114584	/nfs/dbraw/zinc/11/45/84/212114584.db2.gz	KDOBURSTWSAQSI-UHFFFAOYSA-N	-1	0	323.374	0.785	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)c1=O	ZINC000573722900	291651034	/nfs/dbraw/zinc/65/10/34/291651034.db2.gz	KHPCHKSGAUBEPX-WCQYABFASA-N	-1	0	316.361	0.589	20	30		DCEDRM
C#CCSCC[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000231516898	335059291	/nfs/dbraw/zinc/05/92/91/335059291.db2.gz	XAPWZFDTLBNVAH-UHFFFAOYSA-N	-1	0	320.417	0.574	20	30		DCEDRM
Cn1c2ccccc2n(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)c1=O	ZINC000026267883	395694240	/nfs/dbraw/zinc/69/42/40/395694240.db2.gz	QLGPSRBROQDPHH-UHFFFAOYSA-N	-1	0	321.300	0.445	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000114942712	395837701	/nfs/dbraw/zinc/83/77/01/395837701.db2.gz	HONWYDFLYJJHSA-MRVPVSSYSA-N	-1	0	300.292	0.902	20	30		DCEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)NCCn2ccnn2)c1	ZINC000127174169	395914991	/nfs/dbraw/zinc/91/49/91/395914991.db2.gz	KERRQLMGWFBQGX-UHFFFAOYSA-N	-1	0	311.754	0.782	20	30		DCEDRM
C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)nc1	ZINC000228743850	395872656	/nfs/dbraw/zinc/87/26/56/395872656.db2.gz	WXIFMDPMGMPSIS-GMSGAONNSA-N	-1	0	313.360	0.490	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000262128639	396101817	/nfs/dbraw/zinc/10/18/17/396101817.db2.gz	JMKZLDMZKBBWFK-OAHLLOKOSA-N	-1	0	320.301	0.306	20	30		DCEDRM
C=CCNC(=O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000180283463	396231544	/nfs/dbraw/zinc/23/15/44/396231544.db2.gz	FGWUNHQGJQSQBZ-UHFFFAOYSA-N	-1	0	315.301	0.417	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000594681971	396496703	/nfs/dbraw/zinc/49/67/03/396496703.db2.gz	QQIXCAFXSMUZJX-JTQLQIEISA-N	-1	0	310.331	0.662	20	30		DCEDRM
CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C#N)o2)C1=O	ZINC000289120707	396454901	/nfs/dbraw/zinc/45/49/01/396454901.db2.gz	INKBVXWKANETJV-NSHDSACASA-N	-1	0	312.307	0.065	20	30		DCEDRM
C[C@@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@H](C(=O)[O-])C1	ZINC000290653697	396468857	/nfs/dbraw/zinc/46/88/57/396468857.db2.gz	NFBAFEWZOLZYGF-SKDRFNHKSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC[C@@H]1C(=O)[O-]	ZINC000290678692	396469617	/nfs/dbraw/zinc/46/96/17/396469617.db2.gz	PVCWJFARVCZWLU-CABZTGNLSA-N	-1	0	309.347	0.685	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000594541054	396485635	/nfs/dbraw/zinc/48/56/35/396485635.db2.gz	XBTGVNIRVNKFLS-QMMMGPOBSA-N	-1	0	307.281	0.150	20	30		DCEDRM
CC(C)[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)C(=O)[O-]	ZINC000594541020	396485741	/nfs/dbraw/zinc/48/57/41/396485741.db2.gz	VXYMDIPIOFTCLD-ZDUSSCGKSA-N	-1	0	317.345	0.647	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N[C@H](CCF)C(=O)[O-]	ZINC000594573188	396487981	/nfs/dbraw/zinc/48/79/81/396487981.db2.gz	JFRKFGTYFZJJDI-SECBINFHSA-N	-1	0	304.274	0.788	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CCCCC1	ZINC000595276917	396577462	/nfs/dbraw/zinc/57/74/62/396577462.db2.gz	XWEJIOAZSCZMGZ-NSHDSACASA-N	-1	0	307.350	0.510	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-]	ZINC000581946810	396595967	/nfs/dbraw/zinc/59/59/67/396595967.db2.gz	DDTGQCDKKHPAES-GXSJLCMTSA-N	-1	0	315.351	0.344	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000560481121	396616673	/nfs/dbraw/zinc/61/66/73/396616673.db2.gz	IYDWZXWRGUVHTL-NSHDSACASA-N	-1	0	317.411	0.899	20	30		DCEDRM
CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)Cc2cccc(C#N)c2)C1	ZINC000314526807	396783041	/nfs/dbraw/zinc/78/30/41/396783041.db2.gz	RQRRUIAYTVUWPW-OLZOCXBDSA-N	-1	0	324.358	0.562	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-]	ZINC000600656960	396906818	/nfs/dbraw/zinc/90/68/18/396906818.db2.gz	DZUHCOIQEWWJPG-SDDRHHMPSA-N	-1	0	317.411	0.946	20	30		DCEDRM
C=CCN(C(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000634869428	396927743	/nfs/dbraw/zinc/92/77/43/396927743.db2.gz	IXPQAERBZAQZJE-DCAQKATOSA-N	-1	0	315.391	0.545	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)CC[C@H]1C(=O)[O-]	ZINC000600800154	396943738	/nfs/dbraw/zinc/94/37/38/396943738.db2.gz	ILCPDVQFVRQTOL-XHBSWPGZSA-N	-1	0	321.377	0.708	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCCCC#N)C1	ZINC000591744805	396995695	/nfs/dbraw/zinc/99/56/95/396995695.db2.gz	NEWBHPNEKRZUSC-LBPRGKRZSA-N	-1	0	304.368	0.433	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-]	ZINC000630438102	397020961	/nfs/dbraw/zinc/02/09/61/397020961.db2.gz	LTKAKWMQLBNZND-MXWKQRLJSA-N	-1	0	306.384	0.349	20	30		DCEDRM
N#CC1(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCC1	ZINC000597784499	397100326	/nfs/dbraw/zinc/10/03/26/397100326.db2.gz	GSDSKTHJVHPELS-UHFFFAOYSA-N	-1	0	309.347	0.463	20	30		DCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(CC#N)c1	ZINC000619471398	397135467	/nfs/dbraw/zinc/13/54/67/397135467.db2.gz	NOACGUUZWFOXPT-LBPRGKRZSA-N	-1	0	312.347	0.473	20	30		DCEDRM
CC1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1	ZINC000592440407	397179766	/nfs/dbraw/zinc/17/97/66/397179766.db2.gz	MAYYVXFUAXOGCH-WDEREUQCSA-N	-1	0	307.350	0.508	20	30		DCEDRM
C[C@H](CSCCNS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000592447514	397180532	/nfs/dbraw/zinc/18/05/32/397180532.db2.gz	DDOFKVLFIJTYOC-SECBINFHSA-N	-1	0	309.413	0.120	20	30		DCEDRM
N#CCCCCS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000592455118	397183416	/nfs/dbraw/zinc/18/34/16/397183416.db2.gz	HDVUTBBRVHTRDT-UHFFFAOYSA-N	-1	0	318.395	0.966	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(N)=O)[nH]n1	ZINC000613343920	397246711	/nfs/dbraw/zinc/24/67/11/397246711.db2.gz	LIEGCKDCSBIZIX-UHFFFAOYSA-N	-1	0	321.318	0.190	20	30		DCEDRM
CCC1(C)CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602089611	397298242	/nfs/dbraw/zinc/29/82/42/397298242.db2.gz	NNPLCYGELCAGFH-UHFFFAOYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
C[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC(C)(C)C1	ZINC000602131152	397312211	/nfs/dbraw/zinc/31/22/11/397312211.db2.gz	RJEGOLZXZZUATB-SNVBAGLBSA-N	-1	0	304.350	0.715	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@](O)(CC#N)C1	ZINC000592836264	397260275	/nfs/dbraw/zinc/26/02/75/397260275.db2.gz	GBZNJBWMOTUOAV-CQSZACIVSA-N	-1	0	323.374	0.549	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(C)CC(=O)[O-]	ZINC000593257631	397341982	/nfs/dbraw/zinc/34/19/82/397341982.db2.gz	VWPQALKJAFLNSP-SNVBAGLBSA-N	-1	0	305.400	0.803	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-]	ZINC000593268885	397345096	/nfs/dbraw/zinc/34/50/96/397345096.db2.gz	VCJHNRQCWAUVMS-HLTSFMKQSA-N	-1	0	307.397	0.313	20	30		DCEDRM
C[C@@H]1CSCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602148465	397322223	/nfs/dbraw/zinc/32/22/23/397322223.db2.gz	VWYQBGISTBEZLW-VIFPVBQESA-N	-1	0	308.363	0.032	20	30		DCEDRM
CS[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602156555	397326057	/nfs/dbraw/zinc/32/60/57/397326057.db2.gz	GZSSZUSJGBWDIV-JTQLQIEISA-N	-1	0	308.363	0.175	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C	ZINC000578897563	397500660	/nfs/dbraw/zinc/50/06/60/397500660.db2.gz	BDCKVOTYWWUZAQ-ZJUUUORDSA-N	-1	0	305.400	0.802	20	30		DCEDRM
CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000594476561	397558562	/nfs/dbraw/zinc/55/85/62/397558562.db2.gz	SDSSCMNIPJXRFA-UHFFFAOYSA-N	-1	0	310.339	0.371	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1c(C)nn(C)c1Cl	ZINC000493664876	397527992	/nfs/dbraw/zinc/52/79/92/397527992.db2.gz	RWNONCISYZLHDN-SREVYHEPSA-N	-1	0	315.782	0.864	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1c(C)nn(C)c1Cl	ZINC000493736268	397528549	/nfs/dbraw/zinc/52/85/49/397528549.db2.gz	DXEIFVNZYCXKDH-SREVYHEPSA-N	-1	0	315.782	0.864	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccccc2Cl)c(=O)[n-]c1=O	ZINC000603919102	397628283	/nfs/dbraw/zinc/62/82/83/397628283.db2.gz	RKJQJWZPIPRUOI-UHFFFAOYSA-N	-1	0	318.720	0.904	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c1	ZINC000085855261	158089831	/nfs/dbraw/zinc/08/98/31/158089831.db2.gz	AHVHBKFEMUFWRV-CYBMUJFWSA-N	-1	0	310.331	0.221	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccccn3n2)cn1	ZINC000130699264	158295933	/nfs/dbraw/zinc/29/59/33/158295933.db2.gz	UGTQVDQFHVTNMP-UHFFFAOYSA-N	-1	0	300.303	0.797	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]c2nc3n(c2C#N)CCS3)cn1	ZINC000329602581	159106725	/nfs/dbraw/zinc/10/67/25/159106725.db2.gz	KXWKRPHFPPTFBV-UHFFFAOYSA-N	-1	0	324.391	0.878	20	30		DCEDRM
C[C@@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000408486900	160118171	/nfs/dbraw/zinc/11/81/71/160118171.db2.gz	KKRLVNQKMLBWFF-RNCFNFMXSA-N	-1	0	321.358	0.763	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000250175823	292468579	/nfs/dbraw/zinc/46/85/79/292468579.db2.gz	QYZUFMGZOOCMIA-NSHDSACASA-N	-1	0	319.383	0.032	20	30		DCEDRM
C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)[O-])c1	ZINC000342867391	415322295	/nfs/dbraw/zinc/32/22/95/415322295.db2.gz	QORQBNGTERDOHD-UHFFFAOYSA-N	-1	0	312.347	0.308	20	30		DCEDRM
N#CCN1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1	ZINC000292048128	415839429	/nfs/dbraw/zinc/83/94/29/415839429.db2.gz	YHUOAQKSQDSCAF-UHFFFAOYSA-N	-1	0	311.345	0.859	20	30		DCEDRM
C[C@@H]1CCC[C@H](C(=O)[O-])N1S(=O)(=O)c1cncc(C#N)c1	ZINC000290729037	415822766	/nfs/dbraw/zinc/82/27/66/415822766.db2.gz	VVPHZUTXPHJFRL-BXKDBHETSA-N	-1	0	309.347	0.970	20	30		DCEDRM
CC(=O)c1cnccc1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000356535158	415946332	/nfs/dbraw/zinc/94/63/32/415946332.db2.gz	SGBPKRVIDOXBMO-UHFFFAOYSA-N	-1	0	302.315	0.774	20	30		DCEDRM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000134705513	415957645	/nfs/dbraw/zinc/95/76/45/415957645.db2.gz	IRNOCWBLQJUPII-ZETCQYMHSA-N	-1	0	303.365	0.900	20	30		DCEDRM
COc1cc(C(=O)NCC#N)cc([N-]S(C)(=O)=O)c1OC	ZINC000339922812	416169392	/nfs/dbraw/zinc/16/93/92/416169392.db2.gz	KDSRZGLZSXNRPF-UHFFFAOYSA-N	-1	0	313.335	0.329	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCCOCCO)c(F)c1	ZINC000182329652	416218676	/nfs/dbraw/zinc/21/86/76/416218676.db2.gz	MYKVBGGLWCIQKR-UHFFFAOYSA-N	-1	0	320.317	0.514	20	30		DCEDRM
CCOC(=O)Cn1cccc(N=C([O-])N2C[C@@H](O)C[C@H]2C)c1=O	ZINC000330983554	416251285	/nfs/dbraw/zinc/25/12/85/416251285.db2.gz	HPXOMESJGCHKCT-MNOVXSKESA-N	-1	0	323.349	0.412	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000358946861	416296797	/nfs/dbraw/zinc/29/67/97/416296797.db2.gz	HSCNVYXGKNZGHW-UHFFFAOYSA-N	-1	0	303.278	0.086	20	30		DCEDRM
Cc1cc(C#N)nc(N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)n1	ZINC000416450342	416370038	/nfs/dbraw/zinc/37/00/38/416370038.db2.gz	XNVKIUQLDIADGQ-NWDGAFQWSA-N	-1	0	317.349	0.779	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2cnc(C#N)cn2)C1=O	ZINC000416451267	416370087	/nfs/dbraw/zinc/37/00/87/416370087.db2.gz	ZCVSGPIUAKUXDZ-JQWIXIFHSA-N	-1	0	303.322	0.470	20	30		DCEDRM
C[C@H](CC(C)(C)NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000583938367	416486537	/nfs/dbraw/zinc/48/65/37/416486537.db2.gz	UUGFXDXXNNFDOB-NXEZZACHSA-N	-1	0	305.400	0.944	20	30		DCEDRM
C=CCn1cc(CNC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)nn1	ZINC000584167521	416503015	/nfs/dbraw/zinc/50/30/15/416503015.db2.gz	PSWLYHDRHXHDBP-XHDPSFHLSA-N	-1	0	319.365	0.860	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)C1CCCC1	ZINC000491417822	416599694	/nfs/dbraw/zinc/59/96/94/416599694.db2.gz	OUCHDHPAPQZXSA-TZMCWYRMSA-N	-1	0	320.389	0.960	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000424367311	416638054	/nfs/dbraw/zinc/63/80/54/416638054.db2.gz	LIALOPNXUNMHHK-VWYCJHECSA-N	-1	0	303.384	0.650	20	30		DCEDRM
CC(=O)c1ccc(C#N)c(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1	ZINC000424477605	416654155	/nfs/dbraw/zinc/65/41/55/416654155.db2.gz	VTMPNDTZLCXYAA-CYBMUJFWSA-N	-1	0	322.342	0.449	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cn1C	ZINC000443417063	416756922	/nfs/dbraw/zinc/75/69/22/416756922.db2.gz	OKGFDHAHSXXIRZ-UHFFFAOYSA-N	-1	0	323.334	0.218	20	30		DCEDRM
C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@@H]1C(=O)[O-]	ZINC000564987416	416905439	/nfs/dbraw/zinc/90/54/39/416905439.db2.gz	VTMIORXNKZKJES-YFKTTZPYSA-N	-1	0	307.350	0.364	20	30		DCEDRM
N#Cc1nc(NC(=O)CNC(=O)c2cccc(O)c2)[n-]c1C#N	ZINC000428893030	416933064	/nfs/dbraw/zinc/93/30/64/416933064.db2.gz	SMOUEPMGTWTEMD-UHFFFAOYSA-N	-1	0	310.273	0.227	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cc(C)oc1C)C(=O)[O-]	ZINC000521999541	417041830	/nfs/dbraw/zinc/04/18/30/417041830.db2.gz	YDZOGIWLJKTVBY-SNVBAGLBSA-N	-1	0	303.336	0.831	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H](C)Cn1cccn1)C(=O)[O-]	ZINC000566774924	417052381	/nfs/dbraw/zinc/05/23/81/417052381.db2.gz	HSTNVVBJYMBHTE-NEPJUHHUSA-N	-1	0	310.354	0.474	20	30		DCEDRM
C[C@H]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)C[C@H]1C(=O)[O-]	ZINC000566974258	417057059	/nfs/dbraw/zinc/05/70/59/417057059.db2.gz	WYIWSDPANDAYPC-CMPLNLGQSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-]	ZINC000567808664	417067733	/nfs/dbraw/zinc/06/77/33/417067733.db2.gz	YMVLNYVPLQUFBX-SNVBAGLBSA-N	-1	0	317.367	0.146	20	30		DCEDRM
C=CC[C@H](CO)CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000568752942	417172740	/nfs/dbraw/zinc/17/27/40/417172740.db2.gz	VSOOZBVFLZNOII-VIFPVBQESA-N	-1	0	314.363	0.629	20	30		DCEDRM
C[C@H]1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1C(=O)[O-]	ZINC000574813043	417487547	/nfs/dbraw/zinc/48/75/47/417487547.db2.gz	NPTKSKPWEVKBPY-QWRGUYRKSA-N	-1	0	305.338	1.371	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)[O-]	ZINC000574116037	417478325	/nfs/dbraw/zinc/47/83/25/417478325.db2.gz	RPRZSOPRHRSWBN-KXNHARMFSA-N	-1	0	312.366	0.755	20	30		DCEDRM
C=C(C)COCCNC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000574592094	417486416	/nfs/dbraw/zinc/48/64/16/417486416.db2.gz	OURLYVLVFIBRBM-VXGBXAGGSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@H](CC2(OC)CCC2)C(=O)[O-])nn1	ZINC000652111540	417847596	/nfs/dbraw/zinc/84/75/96/417847596.db2.gz	XAEJRFIHAQOBIE-NSHDSACASA-N	-1	0	322.365	0.996	20	30		DCEDRM
C=CCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](c2cncn2C)C1	ZINC000647625742	418034280	/nfs/dbraw/zinc/03/42/80/418034280.db2.gz	ZUPMVABEKCPKQN-GHMZBOCLSA-N	-1	0	313.379	0.426	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000659058383	418051265	/nfs/dbraw/zinc/05/12/65/418051265.db2.gz	CJLBYOPMBFOXEM-UHFFFAOYSA-N	-1	0	306.322	0.123	20	30		DCEDRM
C=CCC[C@H](NC(=O)c1ccc(=O)n(CCCOC)n1)C(=O)[O-]	ZINC000659154241	418066634	/nfs/dbraw/zinc/06/66/34/418066634.db2.gz	NTYHJSBRMRDCQG-LBPRGKRZSA-N	-1	0	323.349	0.429	20	30		DCEDRM
C=CCn1cc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)nn1	ZINC000649250680	418215172	/nfs/dbraw/zinc/21/51/72/418215172.db2.gz	PPHOTEMRJNCWME-LLVKDONJSA-N	-1	0	318.255	0.943	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cccc(OC)c1F)C(=O)[O-]	ZINC000656157051	418332037	/nfs/dbraw/zinc/33/20/37/418332037.db2.gz	DQEPIXLIUIIOCL-SECBINFHSA-N	-1	0	315.322	0.979	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)c1	ZINC000548205827	288121082	/nfs/dbraw/zinc/12/10/82/288121082.db2.gz	OFEIQFKYSPPSOL-PWSUYJOCSA-N	-1	0	310.331	0.326	20	30		DCEDRM
Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)Cn1cnc(C#N)n1	ZINC000564050420	288722628	/nfs/dbraw/zinc/72/26/28/288722628.db2.gz	IFJGPUROFFKBDC-UHFFFAOYSA-N	-1	0	324.304	0.588	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1C[C@H]2CCC[C@]2(C(=O)[O-])C1	ZINC000344554647	289574989	/nfs/dbraw/zinc/57/49/89/289574989.db2.gz	QTOZQALKAUYGJX-PWSUYJOCSA-N	-1	0	301.368	0.263	20	30		DCEDRM
C=CCCC[C@H](C)NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001654743543	1173810988	/nfs/dbraw/zinc/81/09/88/1173810988.db2.gz	OXOYSHOTYFCOTL-VIFPVBQESA-N	-1	0	301.368	0.509	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C#Cc1ccc2c(c1)OCO2)c1nnn[n-]1	ZINC000183408095	533705863	/nfs/dbraw/zinc/70/58/63/533705863.db2.gz	PUCVAZOLJYXQDO-JTQLQIEISA-N	-1	0	313.317	0.542	20	30		DCEDRM
COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000048491528	334287105	/nfs/dbraw/zinc/28/71/05/334287105.db2.gz	RLGLFLWTGGDZIT-UHFFFAOYSA-N	-1	0	305.312	0.635	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)S(=O)(=O)[N-]CC(F)(F)F)C1=O	ZINC000443227721	338448147	/nfs/dbraw/zinc/44/81/47/338448147.db2.gz	VLBQNQHYNXZCLV-MRVPVSSYSA-N	-1	0	315.317	0.102	20	30		DCEDRM
CSCC[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000583206602	337270936	/nfs/dbraw/zinc/27/09/36/337270936.db2.gz	KZFPCRNQDODDEV-DTWKUNHWSA-N	-1	0	309.413	0.261	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000422699216	337683493	/nfs/dbraw/zinc/68/34/93/337683493.db2.gz	COBNSLARMWGHMA-NWDGAFQWSA-N	-1	0	312.366	0.265	20	30		DCEDRM
CCC(CC)(CNS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000424368347	337827420	/nfs/dbraw/zinc/82/74/20/337827420.db2.gz	PRZCLURBWAEUMG-JTQLQIEISA-N	-1	0	305.400	0.803	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000424487369	337839492	/nfs/dbraw/zinc/83/94/92/337839492.db2.gz	JWGFQJNBVYUUTE-RVMXOQNASA-N	-1	0	324.377	0.263	20	30		DCEDRM
CC[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000436754029	338285627	/nfs/dbraw/zinc/28/56/27/338285627.db2.gz	XMIPSYAQHTXJFL-VIFPVBQESA-N	-1	0	311.363	0.674	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000491688564	339873904	/nfs/dbraw/zinc/87/39/04/339873904.db2.gz	CBOFQLKFOJWJTN-VIFPVBQESA-N	-1	0	316.329	0.723	20	30		DCEDRM
C=CCO[N-]C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O	ZINC000496290095	340002252	/nfs/dbraw/zinc/00/22/52/340002252.db2.gz	FECGFNUZZAQBEG-UHFFFAOYSA-N	-1	0	313.354	0.300	20	30		DCEDRM
C=CCN(C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000516972759	340460435	/nfs/dbraw/zinc/46/04/35/340460435.db2.gz	IXPQAERBZAQZJE-MXWKQRLJSA-N	-1	0	315.391	0.545	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000225590647	340568458	/nfs/dbraw/zinc/56/84/58/340568458.db2.gz	SSUCOAARSBBGDM-GHMZBOCLSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C[C@H]1CCN(C(=O)C(=O)N2CCC(C)(C#N)CC2)C[C@@H]1C(=O)[O-]	ZINC000565775465	341537868	/nfs/dbraw/zinc/53/78/68/341537868.db2.gz	ULWPSYPHWIMYMD-RYUDHWBXSA-N	-1	0	321.377	0.708	20	30		DCEDRM
COCCN([C@H](C)C(=O)[O-])S(=O)(=O)CC1(CC#N)CC1	ZINC000566311948	341553813	/nfs/dbraw/zinc/55/38/13/341553813.db2.gz	LSGYFYOIXPYOET-SNVBAGLBSA-N	-1	0	304.368	0.432	20	30		DCEDRM
Cc1oc(CNS(=O)(=O)N(C)C[C@@H](C)C#N)cc1C(=O)[O-]	ZINC000576640419	341856503	/nfs/dbraw/zinc/85/65/03/341856503.db2.gz	KYKCEIFHBVGDOZ-QMMMGPOBSA-N	-1	0	315.351	0.712	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000577734374	341932771	/nfs/dbraw/zinc/93/27/71/341932771.db2.gz	JYLKOYRYGXMWLX-NSHDSACASA-N	-1	0	309.366	0.756	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnc(NC(C)=O)s1	ZINC000577854698	341943468	/nfs/dbraw/zinc/94/34/68/341943468.db2.gz	XDEDQJSOTUKAOO-UHFFFAOYSA-N	-1	0	319.364	0.363	20	30		DCEDRM
CNC(=O)CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124306274	524068815	/nfs/dbraw/zinc/06/88/15/524068815.db2.gz	IWNWDZDCKPNSON-UHFFFAOYSA-N	-1	0	303.290	0.251	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-]	ZINC000262916720	526786414	/nfs/dbraw/zinc/78/64/14/526786414.db2.gz	FVXMSYJGIKZURR-CYBMUJFWSA-N	-1	0	320.345	0.117	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)COc1ccc(OC)cc1)C(=O)[O-]	ZINC000263025325	526786671	/nfs/dbraw/zinc/78/66/71/526786671.db2.gz	ODUUOCXWYHYOPJ-CYBMUJFWSA-N	-1	0	309.318	0.846	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CNC(=O)c1cccs1)C(=O)[O-]	ZINC000263047704	526803532	/nfs/dbraw/zinc/80/35/32/526803532.db2.gz	PRWFVWNMGVLPHR-VIFPVBQESA-N	-1	0	312.347	0.250	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnc2cc(C)nn2c1C)C(=O)[O-]	ZINC000262894573	526809944	/nfs/dbraw/zinc/80/99/44/526809944.db2.gz	DEQIZBVRGMTYHM-LBPRGKRZSA-N	-1	0	318.333	0.732	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)C(=O)OC	ZINC000360616966	526811085	/nfs/dbraw/zinc/81/10/85/526811085.db2.gz	CXJMGFKKTWMNCR-RYUDHWBXSA-N	-1	0	321.395	0.219	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)N(C)C)CC1	ZINC000408126991	526978747	/nfs/dbraw/zinc/97/87/47/526978747.db2.gz	UIFNQGUUHQUQMR-UHFFFAOYSA-N	-1	0	303.384	0.012	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000159565255	527176210	/nfs/dbraw/zinc/17/62/10/527176210.db2.gz	VDCZMONBRMCNLO-VIFPVBQESA-N	-1	0	312.303	0.658	20	30		DCEDRM
C=CCC[C@H](NC(=O)Cn1nc2ccccn2c1=O)C(=O)[O-]	ZINC000262836190	527475599	/nfs/dbraw/zinc/47/55/99/527475599.db2.gz	GHKUBOSHRVKTBY-JTQLQIEISA-N	-1	0	304.306	0.032	20	30		DCEDRM
C=C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1	ZINC000349596014	546159824	/nfs/dbraw/zinc/15/98/24/546159824.db2.gz	XELMCPWJLFRUKC-VIFPVBQESA-N	-1	0	323.396	0.300	20	30		DCEDRM
C=CCN1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC000736107008	599779121	/nfs/dbraw/zinc/77/91/21/599779121.db2.gz	OPZLQBYBMWBOLP-UHFFFAOYSA-N	-1	0	314.363	0.907	20	30		DCEDRM
CN(CC(=O)[O-])CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000739631344	597054812	/nfs/dbraw/zinc/05/48/12/597054812.db2.gz	BKPQTZYOEJQXQI-OAHLLOKOSA-N	-1	0	316.317	0.299	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)OCc1cn(CC(=O)[O-])nn1	ZINC000820953782	597356508	/nfs/dbraw/zinc/35/65/08/597356508.db2.gz	CCHGZIMNQTXFQX-UHFFFAOYSA-N	-1	0	300.274	0.900	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2ncccc2F)CC1	ZINC000819824671	597604005	/nfs/dbraw/zinc/60/40/05/597604005.db2.gz	ZUBKXQVDDJYBHK-OAHLLOKOSA-N	-1	0	320.324	0.874	20	30		DCEDRM
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000819874625	597611558	/nfs/dbraw/zinc/61/15/58/597611558.db2.gz	NOSBWHKQLNIRSV-IUCAKERBSA-N	-1	0	305.290	0.505	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1nnc2n1CCCCC2	ZINC000819842831	597630012	/nfs/dbraw/zinc/63/00/12/597630012.db2.gz	VGZDAJFHBZEYHI-OAHLLOKOSA-N	-1	0	319.365	0.668	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cccnc1-n1cccn1	ZINC000819842713	597633277	/nfs/dbraw/zinc/63/32/77/597633277.db2.gz	RZERJPNMQLKVOU-OAHLLOKOSA-N	-1	0	313.317	0.888	20	30		DCEDRM
CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820369302	597635770	/nfs/dbraw/zinc/63/57/70/597635770.db2.gz	ZRKMZLIILVTOTD-QMTHXVAHSA-N	-1	0	311.338	0.728	20	30		DCEDRM
Cc1cccc(OC[C@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000821116601	597638934	/nfs/dbraw/zinc/63/89/34/597638934.db2.gz	HWUFRBLJAFGFTR-WBMJQRKESA-N	-1	0	320.345	0.856	20	30		DCEDRM
CCOC(=O)c1ccc(C#N)c(SCC(=O)NCC(=O)[O-])n1	ZINC000820369085	597752197	/nfs/dbraw/zinc/75/21/97/597752197.db2.gz	NKQMYINMWALGPL-UHFFFAOYSA-N	-1	0	323.330	0.423	20	30		DCEDRM
CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)NCC(=O)[O-]	ZINC000819901576	597760070	/nfs/dbraw/zinc/76/00/70/597760070.db2.gz	KRDSJMKXOBRVHI-WCIBSUBMSA-N	-1	0	314.363	0.219	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCOCC2(CCOCC2)C1	ZINC000819821685	597819460	/nfs/dbraw/zinc/81/94/60/597819460.db2.gz	JFLMVAKVUAYEQT-CQSZACIVSA-N	-1	0	310.350	0.647	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)c2cccc(C(=O)[O-])c2)c1N	ZINC000739144793	598148897	/nfs/dbraw/zinc/14/88/97/598148897.db2.gz	ANFXVHHQMHRRHC-UHFFFAOYSA-N	-1	0	300.274	0.892	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(C(=O)N2CCCC2)CC1	ZINC000819811598	598223093	/nfs/dbraw/zinc/22/30/93/598223093.db2.gz	RTQBQHJWGGGEAU-INIZCTEOSA-N	-1	0	321.377	0.852	20	30		DCEDRM
Cc1cccc(C(=O)NCCNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000821107180	598225159	/nfs/dbraw/zinc/22/51/59/598225159.db2.gz	NKVGDSLNIIZZJD-MRXNPFEDSA-N	-1	0	317.345	0.846	20	30		DCEDRM
CSc1[nH]c(=O)c(C(=O)N[C@H](C)CC#N)cc1-c1nnn[n-]1	ZINC000737186521	598286614	/nfs/dbraw/zinc/28/66/14/598286614.db2.gz	IXRVCTBSAGOYIK-ZCFIWIBFSA-N	-1	0	319.350	0.721	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(NC=O)cc2)[n-]c1-c1nn[nH]n1	ZINC000822814229	607357820	/nfs/dbraw/zinc/35/78/20/607357820.db2.gz	CMHALBHCNHOMMS-UHFFFAOYSA-N	-1	0	323.276	0.282	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cnn3ccccc23)[n-]c1-c1nn[nH]n1	ZINC000737705254	598719022	/nfs/dbraw/zinc/71/90/22/598719022.db2.gz	MMRPAHZMOOGXET-UHFFFAOYSA-N	-1	0	320.276	0.361	20	30		DCEDRM
N#Cc1nc(NC(=O)C2=CC(=O)CS2)[n-]c1-c1nn[nH]n1	ZINC000737704466	598719028	/nfs/dbraw/zinc/71/90/28/598719028.db2.gz	GGRGJWROTHEMLP-UHFFFAOYSA-N	-1	0	302.279	0.481	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)CCSCC(=O)[O-])nc1	ZINC000739121444	599745625	/nfs/dbraw/zinc/74/56/25/599745625.db2.gz	PZBJONUJMCLKTF-UHFFFAOYSA-N	-1	0	308.363	0.689	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC000737605599	599751526	/nfs/dbraw/zinc/75/15/26/599751526.db2.gz	QUIGKWBYEZSPGY-JTQLQIEISA-N	-1	0	320.301	0.412	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CCCn3nc(C(=O)[O-])nc32)cc1	ZINC000739118450	599765881	/nfs/dbraw/zinc/76/58/81/599765881.db2.gz	RSGWSWVTNRBSQY-UHFFFAOYSA-N	-1	0	311.301	0.827	20	30		DCEDRM
COc1ccc(CNC(=O)[C@H](C#N)C(=O)CCNC(=O)[O-])cc1	ZINC000737997731	599799035	/nfs/dbraw/zinc/79/90/35/599799035.db2.gz	VWZTWGDZQSORJM-GFCCVEGCSA-N	-1	0	319.317	0.678	20	30		DCEDRM
C[C@H](CN(C1CC1)S(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000736577069	599939349	/nfs/dbraw/zinc/93/93/49/599939349.db2.gz	ZWTWJXVPQZHGQC-SECBINFHSA-N	-1	0	309.347	0.827	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CCO1	ZINC000093932511	599981307	/nfs/dbraw/zinc/98/13/07/599981307.db2.gz	XDYBNWXOMBVDQN-MRVPVSSYSA-N	-1	0	302.333	0.359	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CCO1	ZINC000738423848	599998221	/nfs/dbraw/zinc/99/82/21/599998221.db2.gz	VZNAITDZOCBKOE-LLVKDONJSA-N	-1	0	303.274	0.074	20	30		DCEDRM
N#CCc1ccc(OC[C@@H](O)CN2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000738425134	600005228	/nfs/dbraw/zinc/00/52/28/600005228.db2.gz	BARIFMAVMSMTOX-ZFWWWQNUSA-N	-1	0	320.345	0.278	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)C(C)(C)NC(=O)[O-])c1	ZINC000736090691	600156957	/nfs/dbraw/zinc/15/69/57/600156957.db2.gz	GYKUHMKGYIRQBG-UHFFFAOYSA-N	-1	0	303.318	0.769	20	30		DCEDRM
N#CCc1ccc(OC[C@@H](O)CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000739093049	600230848	/nfs/dbraw/zinc/23/08/48/600230848.db2.gz	YZACRHQAUYSGIO-IPYPFGDCSA-N	-1	0	320.345	0.012	20	30		DCEDRM
COC(=O)C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC000737589799	600246993	/nfs/dbraw/zinc/24/69/93/600246993.db2.gz	FBUDARVOHRBFGL-GFCCVEGCSA-N	-1	0	320.301	0.264	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000738425071	600251455	/nfs/dbraw/zinc/25/14/55/600251455.db2.gz	AOXBNBDEZRBWLQ-CYBMUJFWSA-N	-1	0	304.302	0.443	20	30		DCEDRM
C=CC[C@H](C)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC000736096467	600271800	/nfs/dbraw/zinc/27/18/00/600271800.db2.gz	NKNAMXHXXXSCGI-GWCFXTLKSA-N	-1	0	318.329	0.946	20	30		DCEDRM
C#CCNC(=O)CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1	ZINC000736078510	600325485	/nfs/dbraw/zinc/32/54/85/600325485.db2.gz	AKOSFAKQKZKDIY-UHFFFAOYSA-N	-1	0	310.300	0.991	20	30		DCEDRM
COCCN(CC(=O)[O-])CC(=O)N(C)C1(C#N)CCCCC1	ZINC000737778586	600396069	/nfs/dbraw/zinc/39/60/69/600396069.db2.gz	RETQEESUKWDANE-UHFFFAOYSA-N	-1	0	311.382	0.704	20	30		DCEDRM
Cc1cc(C(=O)N(CC#N)CC(=O)[O-])ccc1N1CCNC1=O	ZINC000738320949	600400593	/nfs/dbraw/zinc/40/05/93/600400593.db2.gz	XEVLWSCOKAAAHE-UHFFFAOYSA-N	-1	0	316.317	0.575	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CC#N)CC(=O)[O-]	ZINC000738228798	600405464	/nfs/dbraw/zinc/40/54/64/600405464.db2.gz	APTOLRHWXSVIRZ-UHFFFAOYSA-N	-1	0	316.317	0.645	20	30		DCEDRM
Cc1cccc([C@H](CC(=O)N(CC#N)CC(=O)[O-])NC(N)=O)c1	ZINC000738690476	600408798	/nfs/dbraw/zinc/40/87/98/600408798.db2.gz	KZNWGFZYJBRWGW-LBPRGKRZSA-N	-1	0	318.333	0.531	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1	ZINC000739077367	600409215	/nfs/dbraw/zinc/40/92/15/600409215.db2.gz	NAWGSJITZIJCAW-LBPRGKRZSA-N	-1	0	305.265	0.755	20	30		DCEDRM
COCCN(CC(=O)[O-])C(=O)Cc1ccc(OCC#N)cc1	ZINC000737770141	600420188	/nfs/dbraw/zinc/42/01/88/600420188.db2.gz	DSUAJVVBILQABN-UHFFFAOYSA-N	-1	0	306.318	0.691	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000736701481	600536087	/nfs/dbraw/zinc/53/60/87/600536087.db2.gz	VTDFGEMMPBSQAQ-QMMMGPOBSA-N	-1	0	315.289	0.709	20	30		DCEDRM
CCS(=O)(=O)CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737221979	600613308	/nfs/dbraw/zinc/61/33/08/600613308.db2.gz	HFJCNLIMDFZYFH-GFCCVEGCSA-N	-1	0	311.315	0.662	20	30		DCEDRM
CC(C)C[C@H](NC(=O)COC(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000736413557	600649028	/nfs/dbraw/zinc/64/90/28/600649028.db2.gz	DHYCKTWUJNQCHV-LBPRGKRZSA-N	-1	0	319.317	0.726	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826387668	607462050	/nfs/dbraw/zinc/46/20/50/607462050.db2.gz	JQJUYNGOKMEYDE-UHFFFAOYSA-N	-1	0	316.306	0.262	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)[O-])c(O)c1	ZINC000825618472	600729704	/nfs/dbraw/zinc/72/97/04/600729704.db2.gz	CHMCYDGXXFOKIM-MRVPVSSYSA-N	-1	0	306.274	0.777	20	30		DCEDRM
Cc1cccc(NC(=O)NC(=O)CN(CC#N)CC(=O)[O-])c1C	ZINC000832971329	601002062	/nfs/dbraw/zinc/00/20/62/601002062.db2.gz	WBNYRGYADSEXOD-UHFFFAOYSA-N	-1	0	318.333	0.862	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000739079349	601021212	/nfs/dbraw/zinc/02/12/12/601021212.db2.gz	WFNXREQGJVCFBL-UHFFFAOYSA-N	-1	0	307.218	0.374	20	30		DCEDRM
N#CCN1CCC(NC(=O)Nc2ccn(CC(=O)[O-])n2)CC1	ZINC000833066711	601060081	/nfs/dbraw/zinc/06/00/81/601060081.db2.gz	GEKMOXKESOIGSD-UHFFFAOYSA-N	-1	0	306.326	0.077	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000825692311	601075012	/nfs/dbraw/zinc/07/50/12/601075012.db2.gz	PSUYJPMSFNMMMB-JTQLQIEISA-N	-1	0	324.358	0.870	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(C(=O)[O-])CC1	ZINC000738431082	601092864	/nfs/dbraw/zinc/09/28/64/601092864.db2.gz	SENGKQBSJAGOEA-UHFFFAOYSA-N	-1	0	309.347	0.507	20	30		DCEDRM
C#CCN1CCN(C(=O)CN[C@H](C(=O)[O-])c2ccccc2)CC1	ZINC000819700683	601161761	/nfs/dbraw/zinc/16/17/61/601161761.db2.gz	CQXXIIVDUDKKOU-INIZCTEOSA-N	-1	0	315.373	0.179	20	30		DCEDRM
COc1cc(C(=O)[O-])sc1S(=O)(=O)NC[C@H](C)C#N	ZINC000831934598	601217943	/nfs/dbraw/zinc/21/79/43/601217943.db2.gz	PYLTUMQDTUENEY-ZCFIWIBFSA-N	-1	0	304.349	0.893	20	30		DCEDRM
C[C@@H]1CCCC[C@H]1OCCNC(=O)CN(CC#N)CC(=O)[O-]	ZINC000828252817	601226600	/nfs/dbraw/zinc/22/66/00/601226600.db2.gz	YKKAGVDDUXPCRN-CHWSQXEVSA-N	-1	0	311.382	0.608	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@H](C(=O)[O-])C1	ZINC000818500513	601314529	/nfs/dbraw/zinc/31/45/29/601314529.db2.gz	NTVSWVWTOFZLHU-QWHCGFSZSA-N	-1	0	304.302	0.558	20	30		DCEDRM
NS(=O)(=O)c1ccc(N=NCc2ccc(C(=O)[O-])[nH]2)nc1	ZINC000749810273	601336942	/nfs/dbraw/zinc/33/69/42/601336942.db2.gz	OUTFLIFSLWPNSL-UHFFFAOYSA-N	-1	0	309.307	0.201	20	30		DCEDRM
CN(CCC#N)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000316681642	601404457	/nfs/dbraw/zinc/40/44/57/601404457.db2.gz	VOYLHYTZWJFBFM-UHFFFAOYSA-N	-1	0	304.306	0.878	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCSC[C@@H]1CC(=O)[O-]	ZINC000829641858	601892980	/nfs/dbraw/zinc/89/29/80/601892980.db2.gz	BSEOCDHASLSHFF-RYUDHWBXSA-N	-1	0	313.423	0.887	20	30		DCEDRM
C[C@@H](CC(=O)[O-])C(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000827261733	602081032	/nfs/dbraw/zinc/08/10/32/602081032.db2.gz	AVGZBZIEZDFQMG-NSHDSACASA-N	-1	0	302.334	0.713	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000737495533	602131108	/nfs/dbraw/zinc/13/11/08/602131108.db2.gz	GNMAOIRISBOTQB-UHFFFAOYSA-N	-1	0	320.370	0.735	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000736418904	602690088	/nfs/dbraw/zinc/69/00/88/602690088.db2.gz	CPDYVDPMXWOSCK-QWHCGFSZSA-N	-1	0	308.382	0.867	20	30		DCEDRM
CN1CCN(C(=O)c2cccc(CC#N)c2)[C@@H](CNC(=O)[O-])C1	ZINC000828514486	603522135	/nfs/dbraw/zinc/52/21/35/603522135.db2.gz	YPZMRZOJVGTHRW-AWEZNQCLSA-N	-1	0	316.361	0.776	20	30		DCEDRM
CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[O-])[C@@H](C#N)C1	ZINC000823805394	603593123	/nfs/dbraw/zinc/59/31/23/603593123.db2.gz	QKYTTYDSEXHSDA-VIFPVBQESA-N	-1	0	312.326	0.225	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1COc2ccccc2C1	ZINC000831076220	603594779	/nfs/dbraw/zinc/59/47/79/603594779.db2.gz	IDVYGIRFXXXOMX-STQMWFEESA-N	-1	0	315.329	0.952	20	30		DCEDRM
C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825063970	603597287	/nfs/dbraw/zinc/59/72/87/603597287.db2.gz	CIHOPLIIHAFUMN-UWVGGRQHSA-N	-1	0	310.354	0.252	20	30		DCEDRM
CCCNC(=O)CCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826922118	603599109	/nfs/dbraw/zinc/59/91/09/603599109.db2.gz	UTWFPFVDDOBRRX-NSHDSACASA-N	-1	0	310.354	0.397	20	30		DCEDRM
CC(C)(CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)NC(=O)[O-]	ZINC000823895328	603613587	/nfs/dbraw/zinc/61/35/87/603613587.db2.gz	WOUCJPJCCCVTBX-UHFFFAOYSA-N	-1	0	322.296	0.798	20	30		DCEDRM
N#CCN1CCN(C(=O)[C@H](CNC(=O)[O-])c2ccccc2)CC1	ZINC000831102549	603627018	/nfs/dbraw/zinc/62/70/18/603627018.db2.gz	NFJDOQWFISNEGV-CQSZACIVSA-N	-1	0	316.361	0.706	20	30		DCEDRM
C[C@H]1CCCN(S(=O)(=O)CCCC#N)[C@@H]1CNC(=O)[O-]	ZINC000825930449	603757314	/nfs/dbraw/zinc/75/73/14/603757314.db2.gz	ADOJNSCGZLAZON-WDEREUQCSA-N	-1	0	303.384	0.988	20	30		DCEDRM
N#CCCN(Cc1ccco1)C(=O)COC1CN(C(=O)[O-])C1	ZINC000831097054	603764944	/nfs/dbraw/zinc/76/49/44/603764944.db2.gz	CMMOXDCJJAFMNG-UHFFFAOYSA-N	-1	0	307.306	0.901	20	30		DCEDRM
CN(CCCNC(=O)[O-])S(=O)(=O)c1ccc(F)cc1C#N	ZINC000828302745	603790826	/nfs/dbraw/zinc/79/08/26/603790826.db2.gz	TZWOANASGIDCKG-UHFFFAOYSA-N	-1	0	315.326	0.976	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000827111442	603939116	/nfs/dbraw/zinc/93/91/16/603939116.db2.gz	NLHKUHXLXBDWMD-NSHDSACASA-N	-1	0	311.338	0.824	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823451278	604020356	/nfs/dbraw/zinc/02/03/56/604020356.db2.gz	RJOCCFHNTMACJF-RDBSUJKOSA-N	-1	0	305.378	0.827	20	30		DCEDRM
C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825093463	604068267	/nfs/dbraw/zinc/06/82/67/604068267.db2.gz	NJUWLCDATUUARL-ZYHUDNBSSA-N	-1	0	322.365	0.396	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2c(c1)CCO2	ZINC000831086009	604084087	/nfs/dbraw/zinc/08/40/87/604084087.db2.gz	ASVMUWRGKOGPEX-LBPRGKRZSA-N	-1	0	301.302	0.949	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)CC2(NC(=O)[O-])CCC2)CCN1C1CC1	ZINC000831077206	604168167	/nfs/dbraw/zinc/16/81/67/604168167.db2.gz	XHSBJNSWNACHPZ-GFCCVEGCSA-N	-1	0	306.366	0.766	20	30		DCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000824368215	604220975	/nfs/dbraw/zinc/22/09/75/604220975.db2.gz	KQKAHJYAGDGUDK-WDEREUQCSA-N	-1	0	311.338	0.379	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CCO1	ZINC000833062904	604537118	/nfs/dbraw/zinc/53/71/18/604537118.db2.gz	RDGCNHDHLFCTCZ-MRVPVSSYSA-N	-1	0	309.303	0.136	20	30		DCEDRM
CC[C@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833636393	604541154	/nfs/dbraw/zinc/54/11/54/604541154.db2.gz	QITPYJVPOVWBPC-MRVPVSSYSA-N	-1	0	313.291	0.873	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)cn1	ZINC000823467447	604680387	/nfs/dbraw/zinc/68/03/87/604680387.db2.gz	WNIVODIPBMVPFK-GXFFZTMASA-N	-1	0	303.318	0.560	20	30		DCEDRM
C=CCCS(=O)(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823501465	604765441	/nfs/dbraw/zinc/76/54/41/604765441.db2.gz	XHMTUOZPYWIOPV-ZJUUUORDSA-N	-1	0	306.384	0.985	20	30		DCEDRM
C#CCN(C(=O)NCCCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000819700924	605027215	/nfs/dbraw/zinc/02/72/15/605027215.db2.gz	QLONPAVUVHXGOL-LLVKDONJSA-N	-1	0	316.379	0.073	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000833369849	605059697	/nfs/dbraw/zinc/05/96/97/605059697.db2.gz	GNBWUSJTSSKBQB-GFCCVEGCSA-N	-1	0	313.375	0.989	20	30		DCEDRM
C[C@@H](C#N)COC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000823647818	605285048	/nfs/dbraw/zinc/28/50/48/605285048.db2.gz	ODVMHKDZOUDLNL-VIFPVBQESA-N	-1	0	307.310	0.909	20	30		DCEDRM
C=CCN(Cc1cccs1)C(=O)CNC(=O)CNC(=O)[O-]	ZINC000833788140	605334663	/nfs/dbraw/zinc/33/46/63/605334663.db2.gz	OECWOQWCRHHOQZ-UHFFFAOYSA-N	-1	0	311.363	0.647	20	30		DCEDRM
CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000824368619	605346325	/nfs/dbraw/zinc/34/63/25/605346325.db2.gz	OBRVASMKZKZVKJ-ZJUUUORDSA-N	-1	0	313.379	0.705	20	30		DCEDRM
N#Cc1ccc(F)c(COC(=O)CNC(=O)CNC(=O)[O-])c1	ZINC000833972578	605383302	/nfs/dbraw/zinc/38/33/02/605383302.db2.gz	BWALCWZYTMMXQY-UHFFFAOYSA-N	-1	0	309.253	0.124	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000833366093	605418179	/nfs/dbraw/zinc/41/81/79/605418179.db2.gz	GFXBDJPYDAQIJA-UHFFFAOYSA-N	-1	0	313.331	0.322	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833366459	605420539	/nfs/dbraw/zinc/42/05/39/605420539.db2.gz	YFGTYYSXBYPJPW-UHFFFAOYSA-N	-1	0	301.295	0.452	20	30		DCEDRM
N#CCN1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1	ZINC000831102641	605435233	/nfs/dbraw/zinc/43/52/33/605435233.db2.gz	PQDCHIAIPCHHLG-LLVKDONJSA-N	-1	0	312.395	0.140	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(F)(F)C1(O)CCC1	ZINC000833965405	605438100	/nfs/dbraw/zinc/43/81/00/605438100.db2.gz	AIRUPUMDYMEFNX-MRVPVSSYSA-N	-1	0	303.265	0.251	20	30		DCEDRM
CN(CCN(C)S(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000833873815	605509443	/nfs/dbraw/zinc/50/94/43/605509443.db2.gz	LQAYINJHZDCHQZ-UHFFFAOYSA-N	-1	0	311.363	0.930	20	30		DCEDRM
COCCN(CCC#N)C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000828979398	605642274	/nfs/dbraw/zinc/64/22/74/605642274.db2.gz	GXBYYRISPBKSGI-NSHDSACASA-N	-1	0	315.395	0.861	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])cn1	ZINC000833368751	605646037	/nfs/dbraw/zinc/64/60/37/605646037.db2.gz	SVLGYBNEZUCTSS-MFKMUULPSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(=O)OC)nc1	ZINC000833368609	605652665	/nfs/dbraw/zinc/65/26/65/605652665.db2.gz	RRGIQFJPHCQQBN-YPMHNXCESA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000833376077	605674888	/nfs/dbraw/zinc/67/48/88/605674888.db2.gz	SFEJFAJYDVQYFD-UHFFFAOYSA-N	-1	0	306.318	0.951	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@@H](O)COc1ccccc1	ZINC000833968274	605683727	/nfs/dbraw/zinc/68/37/27/605683727.db2.gz	VBRUKBFTECZHCR-YRGRVCCFSA-N	-1	0	305.334	0.518	20	30		DCEDRM
Cc1onc(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1C#N	ZINC000833937280	605697869	/nfs/dbraw/zinc/69/78/69/605697869.db2.gz	WLPLWQFBIGOHMI-SECBINFHSA-N	-1	0	303.278	0.112	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2cccc(CNC(=O)[O-])c2)n1	ZINC000831161795	605713900	/nfs/dbraw/zinc/71/39/00/605713900.db2.gz	LUZMUHZAFCPBKN-UHFFFAOYSA-N	-1	0	300.278	0.556	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823455188	605824658	/nfs/dbraw/zinc/82/46/58/605824658.db2.gz	AODPUHRSIVDTQL-UWVGGRQHSA-N	-1	0	314.363	0.153	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cnn2c1CCCC2	ZINC000833968756	605834853	/nfs/dbraw/zinc/83/48/53/605834853.db2.gz	XTKKFWREFZPHPL-JTQLQIEISA-N	-1	0	303.322	0.547	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000833974319	605846047	/nfs/dbraw/zinc/84/60/47/605846047.db2.gz	JLIJVYVPLLOCMW-SNVBAGLBSA-N	-1	0	313.310	0.728	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@@H](CNC(=O)[O-])C2CC2)nc1	ZINC000833976794	605998305	/nfs/dbraw/zinc/99/83/05/605998305.db2.gz	XYVCGPMNQICCDF-NSHDSACASA-N	-1	0	303.322	0.528	20	30		DCEDRM
Cn1nncc1CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1	ZINC000822714739	606205164	/nfs/dbraw/zinc/20/51/64/606205164.db2.gz	RXXFZTRPTNJDSX-UHFFFAOYSA-N	-1	0	316.329	0.727	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cc(-c2nn[nH]n2)cs1	ZINC000822802147	606462230	/nfs/dbraw/zinc/46/22/30/606462230.db2.gz	WIDQDQCBHLQUPQ-SECBINFHSA-N	-1	0	316.346	0.873	20	30		DCEDRM
CN(CC#N)[C@H]1CCCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001027646927	660572015	/nfs/dbraw/zinc/57/20/15/660572015.db2.gz	AOVIBIMZEXKNMN-JTQLQIEISA-N	-1	0	315.333	0.988	20	30		DCEDRM
C=CCOCCCNC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000905546742	663562528	/nfs/dbraw/zinc/56/25/28/663562528.db2.gz	WGHPPQKUGHCSGA-NEPJUHHUSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000926537652	657831025	/nfs/dbraw/zinc/83/10/25/657831025.db2.gz	NZBFFPDFSOTJRK-VIFPVBQESA-N	-1	0	315.322	0.931	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(CN2CCOCC2)o1	ZINC000892489123	658717294	/nfs/dbraw/zinc/71/72/94/658717294.db2.gz	DYKPPVUFHMRYIA-ZDUSSCGKSA-N	-1	0	317.345	0.736	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)N1CCCC[C@H]1C(=O)OCC	ZINC000893452352	659331486	/nfs/dbraw/zinc/33/14/86/659331486.db2.gz	AEIMXCFELWTZNI-NSHDSACASA-N	-1	0	318.395	0.731	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1Br	ZINC000892882985	659498316	/nfs/dbraw/zinc/49/83/16/659498316.db2.gz	SCWLQWVYYZQSJI-UHFFFAOYSA-N	-1	0	308.157	0.428	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000892925054	659510975	/nfs/dbraw/zinc/51/09/75/659510975.db2.gz	NGVGEBPMABDSGP-UHFFFAOYSA-N	-1	0	313.356	0.587	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC000983217783	661791787	/nfs/dbraw/zinc/79/17/87/661791787.db2.gz	VFPLGWGNIYGJEI-WCBMZHEXSA-N	-1	0	305.338	0.162	20	30		DCEDRM
C[C@H]1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CCN1CC#N	ZINC000947787750	661895193	/nfs/dbraw/zinc/89/51/93/661895193.db2.gz	CRRJOBUWXFOFOC-QWRGUYRKSA-N	-1	0	314.349	0.129	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000793196957	662056511	/nfs/dbraw/zinc/05/65/11/662056511.db2.gz	LHIFEDMTPTUNQC-UHFFFAOYSA-N	-1	0	309.303	0.958	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C[C@H]2CCOC2)c1	ZINC000740543331	662417303	/nfs/dbraw/zinc/41/73/03/662417303.db2.gz	OBMBQMPGIZOXKH-GFCCVEGCSA-N	-1	0	308.359	0.931	20	30		DCEDRM
C[C@@H]1[C@@H](NCC#N)CCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1	ZINC000986393329	662587892	/nfs/dbraw/zinc/58/78/92/662587892.db2.gz	AAAOYDMURCTYKL-KOLCDFICSA-N	-1	0	301.350	0.776	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC000988296966	662748654	/nfs/dbraw/zinc/74/86/54/662748654.db2.gz	RLHACYLUVVXEJL-GXSJLCMTSA-N	-1	0	319.365	0.504	20	30		DCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000729914500	662912732	/nfs/dbraw/zinc/91/27/32/662912732.db2.gz	RAJWEZNBTLLADW-UHFFFAOYSA-N	-1	0	311.363	0.638	20	30		DCEDRM
CCn1cc(/C=C\C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)c(C)n1	ZINC000899377934	663141546	/nfs/dbraw/zinc/14/15/46/663141546.db2.gz	JXZCIANCBLTOJM-SREVYHEPSA-N	-1	0	318.333	0.211	20	30		DCEDRM
C[C@@H]1C[C@@H](S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)CCO1	ZINC000899927239	663201401	/nfs/dbraw/zinc/20/14/01/663201401.db2.gz	UFLAMRZUGBHFIH-UPJWGTAASA-N	-1	0	315.391	0.684	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000899938705	663202627	/nfs/dbraw/zinc/20/26/27/663202627.db2.gz	XBQYBFGXZOOEAU-PJXYFTJBSA-N	-1	0	306.343	0.818	20	30		DCEDRM
COC1CCN(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)CC1	ZINC000901772677	663366915	/nfs/dbraw/zinc/36/69/15/663366915.db2.gz	VWCKHHPXFHFWLO-VIFPVBQESA-N	-1	0	315.317	0.776	20	30		DCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC000901989211	663377363	/nfs/dbraw/zinc/37/73/63/663377363.db2.gz	JWIHNAVCCRFBGC-RYUDHWBXSA-N	-1	0	313.350	0.834	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000902482611	663416748	/nfs/dbraw/zinc/41/67/48/663416748.db2.gz	AETWQBVFQSMZIT-INIZCTEOSA-N	-1	0	317.345	0.697	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cn(C)nc2CC)C1	ZINC000906006784	663595318	/nfs/dbraw/zinc/59/53/18/663595318.db2.gz	IMSYCYBOLQPWCT-UHFFFAOYSA-N	-1	0	313.379	0.634	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)C1	ZINC000907126403	663669507	/nfs/dbraw/zinc/66/95/07/663669507.db2.gz	CTODQUNIUXLHGP-UHFFFAOYSA-N	-1	0	313.306	0.201	20	30		DCEDRM
C#CCCS(=O)(=O)N[C@@]12CCC[C@]1(OCCOC)OCC2	ZINC000908047176	663730706	/nfs/dbraw/zinc/73/07/06/663730706.db2.gz	IDWDIOPJUOEQQX-ZIAGYGMSSA-N	-1	0	317.407	0.631	20	30		DCEDRM
N#Cc1cn(CC(=O)N(CC(F)(F)F)C2CC2)c(=O)[n-]c1=O	ZINC000908267410	663746967	/nfs/dbraw/zinc/74/69/67/663746967.db2.gz	GVGLHRNSLWCMNN-UHFFFAOYSA-N	-1	0	316.239	0.374	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCCOC[C@@H]1CCCO1)C(=O)[O-]	ZINC000908905904	663774854	/nfs/dbraw/zinc/77/48/54/663774854.db2.gz	NDVAMXKKZXKXFE-RYUDHWBXSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCCOCCNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909117839	663781556	/nfs/dbraw/zinc/78/15/56/663781556.db2.gz	SXPQBLSHDPMSKR-VXGBXAGGSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000909239176	663788727	/nfs/dbraw/zinc/78/87/27/663788727.db2.gz	SGHZPFIXVSDMKT-LOWDOPEQSA-N	-1	0	312.366	0.851	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC000909764667	663800007	/nfs/dbraw/zinc/80/00/07/663800007.db2.gz	ZJOZSBJROBLURK-GXFFZTMASA-N	-1	0	318.295	0.950	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)N1CCSCC1)C(=O)[O-]	ZINC000909769280	663800512	/nfs/dbraw/zinc/80/05/12/663800512.db2.gz	YDDDSFJSDYQVEY-MNOVXSKESA-N	-1	0	302.396	0.196	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnc2n1CCCCC2)C(=O)[O-]	ZINC000909771776	663800541	/nfs/dbraw/zinc/80/05/41/663800541.db2.gz	PWHXBEQZTKIYII-NSHDSACASA-N	-1	0	307.350	0.995	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-]	ZINC000910051768	663836814	/nfs/dbraw/zinc/83/68/14/663836814.db2.gz	GTRNZIJNQCBCLH-DGCLKSJQSA-N	-1	0	315.329	0.023	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1nnn(-c2ccccc2)c1C)C(=O)[O-]	ZINC000910053314	663837565	/nfs/dbraw/zinc/83/75/65/663837565.db2.gz	QZCGNUMWFBBJBP-CYBMUJFWSA-N	-1	0	312.329	0.711	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)C(=O)[O-]	ZINC000910053918	663837841	/nfs/dbraw/zinc/83/78/41/663837841.db2.gz	ZYJBXOHIPWKOER-LBPRGKRZSA-N	-1	0	301.302	0.423	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC000910269695	663862903	/nfs/dbraw/zinc/86/29/03/663862903.db2.gz	CPHPHWFDPBUKNQ-WPRPVWTQSA-N	-1	0	312.757	0.632	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cc1	ZINC000911641414	664090960	/nfs/dbraw/zinc/09/09/60/664090960.db2.gz	UWTMREGUWCIWLG-UONOGXRCSA-N	-1	0	303.314	0.749	20	30		DCEDRM
C#C[C@@H](NC(=O)CC1(C(=O)[O-])CCOCC1)C1CCOCC1	ZINC000911794086	664110245	/nfs/dbraw/zinc/11/02/45/664110245.db2.gz	XFBRJADFZKRKIF-CYBMUJFWSA-N	-1	0	309.362	0.803	20	30		DCEDRM
C#CCN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CSC1	ZINC000912371432	664167305	/nfs/dbraw/zinc/16/73/05/664167305.db2.gz	KWPXFSPPMNMEDA-UHFFFAOYSA-N	-1	0	316.342	0.627	20	30		DCEDRM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ncc(C#N)s1	ZINC000912559177	664188491	/nfs/dbraw/zinc/18/84/91/664188491.db2.gz	ZOBNLEYFROOUKH-UHFFFAOYSA-N	-1	0	313.320	0.325	20	30		DCEDRM
C#CCCN1CC(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC001030625055	664610316	/nfs/dbraw/zinc/61/03/16/664610316.db2.gz	ZLHRRRFYYQFUPB-UHFFFAOYSA-N	-1	0	304.394	0.199	20	30		DCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C)[nH]c1=O	ZINC000062674623	664622573	/nfs/dbraw/zinc/62/25/73/664622573.db2.gz	UZUXZHYAORNXGB-UHFFFAOYSA-N	-1	0	324.362	0.727	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1	ZINC000732617176	664948235	/nfs/dbraw/zinc/94/82/35/664948235.db2.gz	DXEZAEKWZHUHJX-UHFFFAOYSA-N	-1	0	312.347	0.101	20	30		DCEDRM
CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000916774501	665093266	/nfs/dbraw/zinc/09/32/66/665093266.db2.gz	XWTGICPRENDZNB-VIFPVBQESA-N	-1	0	309.347	0.278	20	30		DCEDRM
CCc1c(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cnn1C	ZINC000916809435	665093898	/nfs/dbraw/zinc/09/38/98/665093898.db2.gz	UBALHTKZMWELFD-UHFFFAOYSA-N	-1	0	318.358	0.973	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2c(c1)OCC(=O)N2	ZINC000916869930	665098049	/nfs/dbraw/zinc/09/80/49/665098049.db2.gz	ZITQQLWFQLVZNP-NSHDSACASA-N	-1	0	313.313	0.962	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2c(c1)OCC(=O)N2	ZINC000916945172	665103973	/nfs/dbraw/zinc/10/39/73/665103973.db2.gz	JYGAVZSJMDPCDY-JTQLQIEISA-N	-1	0	301.302	0.865	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(N2CCCS2(=O)=O)c1	ZINC000917004754	665108453	/nfs/dbraw/zinc/10/84/53/665108453.db2.gz	AXOPRDJMHJAZAY-LBPRGKRZSA-N	-1	0	321.358	0.295	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)nc2cc(C)nn21	ZINC000917425521	665132350	/nfs/dbraw/zinc/13/23/50/665132350.db2.gz	ZKPMIULTEVAJPR-LLVKDONJSA-N	-1	0	315.333	0.431	20	30		DCEDRM
Cc1nnc(NN=Cc2ccc(S(C)(=O)=O)cc2)[n-]c1=O	ZINC000918152279	665159011	/nfs/dbraw/zinc/15/90/11/665159011.db2.gz	JCVYRAUQBRWHPQ-UHFFFAOYSA-N	-1	0	307.335	0.735	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)C2=NNC(=O)CC2)n1	ZINC000921249354	665292260	/nfs/dbraw/zinc/29/22/60/665292260.db2.gz	RINLYWDIIYKYLV-MRVPVSSYSA-N	-1	0	320.330	0.437	20	30		DCEDRM
C[C@H](NC(=O)c1ccoc1)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123315940	666210936	/nfs/dbraw/zinc/21/09/36/666210936.db2.gz	DNYHVNJPNLVZEW-GXSJLCMTSA-N	-1	0	314.301	0.723	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001032047743	666217703	/nfs/dbraw/zinc/21/77/03/666217703.db2.gz	LLWAQEDRTOBWCO-AAEUAGOBSA-N	-1	0	321.381	0.040	20	30		DCEDRM
C=C(Cl)CN1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001003250001	666288001	/nfs/dbraw/zinc/28/80/01/666288001.db2.gz	DBZYWZBCOVTIQA-UHFFFAOYSA-N	-1	0	313.745	0.230	20	30		DCEDRM
C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000944136926	666396572	/nfs/dbraw/zinc/39/65/72/666396572.db2.gz	XOTPLTGOHZUSRP-UWVGGRQHSA-N	-1	0	315.333	0.892	20	30		DCEDRM
N#Cc1ccccc1/C=C/C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000733721002	666808162	/nfs/dbraw/zinc/80/81/62/666808162.db2.gz	FYILVZWCPPYRBJ-URWSZGRFSA-N	-1	0	306.343	0.806	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000733721550	666808411	/nfs/dbraw/zinc/80/84/11/666808411.db2.gz	AYJTWZMELVEHJY-GXFFZTMASA-N	-1	0	324.358	0.560	20	30		DCEDRM
C=CC[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccncc1	ZINC000734458200	666879238	/nfs/dbraw/zinc/87/92/38/666879238.db2.gz	WKERSJQYYUQXTD-ZDUSSCGKSA-N	-1	0	324.344	0.900	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1cccs1	ZINC000788067515	666940661	/nfs/dbraw/zinc/94/06/61/666940661.db2.gz	FRTSEBSWXGXVAH-VIFPVBQESA-N	-1	0	314.388	0.336	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C(C)C)N1CCCC1=O	ZINC000788066955	666944507	/nfs/dbraw/zinc/94/45/07/666944507.db2.gz	AVHFVOQBGSFWLX-LBPRGKRZSA-N	-1	0	300.380	0.103	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000861715181	666964646	/nfs/dbraw/zinc/96/46/46/666964646.db2.gz	JZVHYNNXUJCOCF-GHMZBOCLSA-N	-1	0	312.391	0.038	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1cccs1	ZINC000788070295	666985964	/nfs/dbraw/zinc/98/59/64/666985964.db2.gz	KBKNVFITUQAJTP-SECBINFHSA-N	-1	0	314.388	0.336	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1	ZINC000862141154	667022401	/nfs/dbraw/zinc/02/24/01/667022401.db2.gz	HRISVQQEISVWIC-NSHDSACASA-N	-1	0	307.375	0.939	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(C(=O)NCCC)c1	ZINC000788072666	667035296	/nfs/dbraw/zinc/03/52/96/667035296.db2.gz	WSDGDSZJHDTUML-UHFFFAOYSA-N	-1	0	322.386	0.909	20	30		DCEDRM
CC(C)OC[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000863416643	667141092	/nfs/dbraw/zinc/14/10/92/667141092.db2.gz	KCEIYWXBWYZACC-VIFPVBQESA-N	-1	0	318.376	0.776	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)[O-]	ZINC000863421987	667142455	/nfs/dbraw/zinc/14/24/55/667142455.db2.gz	YBYWOTKJFZOMFS-QMMMGPOBSA-N	-1	0	307.759	0.901	20	30		DCEDRM
C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)CC[C@@H]1C(=O)[O-]	ZINC000863735066	667173888	/nfs/dbraw/zinc/17/38/88/667173888.db2.gz	YSRYDNGGVBTXNJ-SKDRFNHKSA-N	-1	0	323.374	0.753	20	30		DCEDRM
C[C@@H](CC(=O)N(CC#N)CC(=O)[O-])NC(=O)C1CCCCC1	ZINC000736544756	667191420	/nfs/dbraw/zinc/19/14/20/667191420.db2.gz	LIDKUALJJILZEB-NSHDSACASA-N	-1	0	309.366	0.898	20	30		DCEDRM
C=C(Br)CNC(=O)C(=O)NCCCCC(=O)[O-]	ZINC000884472930	667552127	/nfs/dbraw/zinc/55/21/27/667552127.db2.gz	MOFGDZWDHHMCIF-UHFFFAOYSA-N	-1	0	307.144	0.382	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OCC	ZINC000870035178	667699923	/nfs/dbraw/zinc/69/99/23/667699923.db2.gz	NGQDINGECFUMAS-SECBINFHSA-N	-1	0	301.730	0.930	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)N2CCCCC2)ncc1C#N	ZINC000838790521	667710900	/nfs/dbraw/zinc/71/09/00/667710900.db2.gz	FSULXMQRJSYQMJ-UHFFFAOYSA-N	-1	0	308.363	0.722	20	30		DCEDRM
CCC(C)(C)OCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000838973240	667722565	/nfs/dbraw/zinc/72/25/65/667722565.db2.gz	WCEOPRSZALHFBK-UHFFFAOYSA-N	-1	0	311.363	0.963	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2(F)CCOCC2)CCC1	ZINC000870298069	667728562	/nfs/dbraw/zinc/72/85/62/667728562.db2.gz	WJTAQYGUNWRQCG-UHFFFAOYSA-N	-1	0	304.343	0.645	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](OCC)C1CCOCC1	ZINC000870331090	667731630	/nfs/dbraw/zinc/73/16/30/667731630.db2.gz	KAGQVNCWXUPFIN-GFCCVEGCSA-N	-1	0	303.380	0.287	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(C)=O)C2)CC1	ZINC000870833192	667764901	/nfs/dbraw/zinc/76/49/01/667764901.db2.gz	YVPPGWRUJHGLEI-LLVKDONJSA-N	-1	0	300.380	0.410	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)OC)CC1	ZINC000870832461	667764988	/nfs/dbraw/zinc/76/49/88/667764988.db2.gz	IPZHAEZNUOJZMC-UHFFFAOYSA-N	-1	0	304.368	0.629	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](CC2CCC2)NC(C)=O)CC1	ZINC000870837040	667765325	/nfs/dbraw/zinc/76/53/25/667765325.db2.gz	WFZUDMCPRNEVJV-GFCCVEGCSA-N	-1	0	314.407	0.846	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1	ZINC000887052362	667842061	/nfs/dbraw/zinc/84/20/61/667842061.db2.gz	SOYFZFVSTUYDNJ-OAHLLOKOSA-N	-1	0	324.377	0.239	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC#N)c2)cn1C	ZINC000745979312	667859728	/nfs/dbraw/zinc/85/97/28/667859728.db2.gz	YMOSNBFHKRJEQA-UHFFFAOYSA-N	-1	0	323.334	0.333	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000871972944	667861093	/nfs/dbraw/zinc/86/10/93/667861093.db2.gz	FEGTYVHPIDJFFG-LBPRGKRZSA-N	-1	0	309.343	0.716	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CCO[C@](C)(C#N)C2)c1	ZINC000887690137	667901351	/nfs/dbraw/zinc/90/13/51/667901351.db2.gz	HCDSSQYLCRHBCD-QRQCRPRQSA-N	-1	0	322.386	0.944	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc2[nH]c(=O)oc21	ZINC000752477332	668018084	/nfs/dbraw/zinc/01/80/84/668018084.db2.gz	NZMGQJIJLUUPCM-SECBINFHSA-N	-1	0	303.274	0.618	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C[C@H]1CCOC1	ZINC000754017976	668040001	/nfs/dbraw/zinc/04/00/01/668040001.db2.gz	SWXFTPFJLLFEOS-LLVKDONJSA-N	-1	0	324.358	0.798	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C	ZINC000873514018	668087422	/nfs/dbraw/zinc/08/74/22/668087422.db2.gz	ISAFTJGRGNAOSK-NXEZZACHSA-N	-1	0	303.380	0.986	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C(C)C)CC1	ZINC000873553030	668092123	/nfs/dbraw/zinc/09/21/23/668092123.db2.gz	LVQKXJJGKOKLJE-JTQLQIEISA-N	-1	0	300.380	0.550	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)c2ccccc12	ZINC000759616191	668228409	/nfs/dbraw/zinc/22/84/09/668228409.db2.gz	UFCGPWMUJDMWSF-UHFFFAOYSA-N	-1	0	306.343	0.784	20	30		DCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1coc(C(N)=O)c1	ZINC000760198452	668262725	/nfs/dbraw/zinc/26/27/25/668262725.db2.gz	VXRGGTZKTSMGQQ-LLVKDONJSA-N	-1	0	321.333	0.632	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cncnc2)c1	ZINC000761111366	668306522	/nfs/dbraw/zinc/30/65/22/668306522.db2.gz	MGAQCQOWQRHHHB-UHFFFAOYSA-N	-1	0	302.315	0.608	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1CCN(c2cnccn2)CC1	ZINC000763034239	668393067	/nfs/dbraw/zinc/39/30/67/668393067.db2.gz	SBVVIUFQFDTCRL-UHFFFAOYSA-N	-1	0	310.379	0.325	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCO2	ZINC000763928173	668426843	/nfs/dbraw/zinc/42/68/43/668426843.db2.gz	BUZYESPHTYUNGQ-JTQLQIEISA-N	-1	0	306.322	0.141	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)COCC1CC1	ZINC000766986470	668556141	/nfs/dbraw/zinc/55/61/41/668556141.db2.gz	SLDLXMLDEZWMAK-UHFFFAOYSA-N	-1	0	324.358	0.798	20	30		DCEDRM
COc1cc(C(=O)/C=C/c2cn(CC(=O)[O-])nn2)ccc1O	ZINC000768846848	668624969	/nfs/dbraw/zinc/62/49/69/668624969.db2.gz	CBRBABCIAQTTON-HWKANZROSA-N	-1	0	303.274	0.973	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)nc1	ZINC000772709939	668782058	/nfs/dbraw/zinc/78/20/58/668782058.db2.gz	INQNTSASCIZDRR-UHFFFAOYSA-N	-1	0	311.363	0.164	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)[N-]OCCOCC	ZINC000773630123	668809557	/nfs/dbraw/zinc/80/95/57/668809557.db2.gz	VLGHNGFOBAZKKQ-UHFFFAOYSA-N	-1	0	306.318	0.721	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C[C@H]1C(=O)Nc2ccccc21	ZINC000776116173	668871072	/nfs/dbraw/zinc/87/10/72/668871072.db2.gz	JNKKNYUYYKIELL-LLVKDONJSA-N	-1	0	321.358	0.862	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000776119100	668871160	/nfs/dbraw/zinc/87/11/60/668871160.db2.gz	CRZSYILFBMDMET-UHFFFAOYSA-N	-1	0	311.319	0.887	20	30		DCEDRM
CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776135130	668871720	/nfs/dbraw/zinc/87/17/20/668871720.db2.gz	BHQLETIKXQHWIO-UHFFFAOYSA-N	-1	0	317.411	0.679	20	30		DCEDRM
C#C[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1CCCO1	ZINC000776268132	668874384	/nfs/dbraw/zinc/87/43/84/668874384.db2.gz	AQBITEFDMCDMTR-OLZOCXBDSA-N	-1	0	313.313	0.941	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccnc1Cl)C(=O)[O-]	ZINC000776586573	668878618	/nfs/dbraw/zinc/87/86/18/668878618.db2.gz	DCUOAWFXZMJBAZ-QMMMGPOBSA-N	-1	0	302.739	0.880	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000776598184	668879069	/nfs/dbraw/zinc/87/90/69/668879069.db2.gz	XPUDDSMLWSZJDU-SNVBAGLBSA-N	-1	0	313.379	0.917	20	30		DCEDRM
N#CCn1cc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)cn1	ZINC000777619774	668889457	/nfs/dbraw/zinc/88/94/57/668889457.db2.gz	NHSZAWRPHKTFOJ-UHFFFAOYSA-N	-1	0	306.351	0.814	20	30		DCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC	ZINC000778850440	668905082	/nfs/dbraw/zinc/90/50/82/668905082.db2.gz	ZZUANAAZGVAYIU-UHFFFAOYSA-N	-1	0	301.368	0.898	20	30		DCEDRM
CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000781591909	669052117	/nfs/dbraw/zinc/05/21/17/669052117.db2.gz	HVAISNBGUXKGKJ-LDYMZIIASA-N	-1	0	312.322	0.927	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1	ZINC000782639907	669114692	/nfs/dbraw/zinc/11/46/92/669114692.db2.gz	WHZKVRDERLIZQZ-UHFFFAOYSA-N	-1	0	305.768	0.797	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)[C@@]34C[C@@H]3CCCC4)C2)c(=O)[n-]c1=O	ZINC000880829326	669272383	/nfs/dbraw/zinc/27/23/83/669272383.db2.gz	CUDBGBSDMGJLOY-ZBEGNZNMSA-N	-1	0	314.345	0.784	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000786769066	669328848	/nfs/dbraw/zinc/32/88/48/669328848.db2.gz	GIOFOMLQZAETNE-IUCAKERBSA-N	-1	0	322.283	0.371	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2oc(=O)[nH]c2c1	ZINC000805854091	669403789	/nfs/dbraw/zinc/40/37/89/669403789.db2.gz	QPYKOKNYOOMNQT-SECBINFHSA-N	-1	0	303.274	0.618	20	30		DCEDRM
COCCO[N-]C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000789824318	669512091	/nfs/dbraw/zinc/51/20/91/669512091.db2.gz	WBHXNOBHXXXAFT-SNVBAGLBSA-N	-1	0	307.306	0.610	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC1CCC2(CC1)OCCO2	ZINC000810782837	669678165	/nfs/dbraw/zinc/67/81/65/669678165.db2.gz	ZNFISFMSMDLGAL-UHFFFAOYSA-N	-1	0	315.391	0.779	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc(OCC2CC2)cn1	ZINC000793125846	669702818	/nfs/dbraw/zinc/70/28/18/669702818.db2.gz	RBDUVTHMUQEILA-NSHDSACASA-N	-1	0	318.333	0.350	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(-c2nc[nH]n2)c1	ZINC000793127869	669702823	/nfs/dbraw/zinc/70/28/23/669702823.db2.gz	ZNNWWOGYXANDEW-GFCCVEGCSA-N	-1	0	313.317	0.557	20	30		DCEDRM
COCc1ncsc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000793191193	669706756	/nfs/dbraw/zinc/70/67/56/669706756.db2.gz	QFFGFZFUEFUMPZ-UHFFFAOYSA-N	-1	0	317.392	0.899	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)ccn1	ZINC000795015945	669870705	/nfs/dbraw/zinc/87/07/05/669870705.db2.gz	MAFMINCHNYJTHS-ZDUSSCGKSA-N	-1	0	305.301	0.986	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2	ZINC000797257226	669960729	/nfs/dbraw/zinc/96/07/29/669960729.db2.gz	GPQGZHAVJYAULU-UHFFFAOYSA-N	-1	0	312.372	0.683	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCC(=C)Br)C(=O)[O-]	ZINC000797715253	669973474	/nfs/dbraw/zinc/97/34/74/669973474.db2.gz	MBVWKFQSDPIPCN-QMMMGPOBSA-N	-1	0	307.144	0.850	20	30		DCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnccn2)cc1C#N	ZINC000799615821	670066512	/nfs/dbraw/zinc/06/65/12/670066512.db2.gz	BNQRCUYJANNNJA-UHFFFAOYSA-N	-1	0	302.315	0.775	20	30		DCEDRM
N#CCNC(=O)COC(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000801380985	670127063	/nfs/dbraw/zinc/12/70/63/670127063.db2.gz	BRUNOSVTVOMAAW-UHFFFAOYSA-N	-1	0	318.264	0.514	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC	ZINC000802162762	670154295	/nfs/dbraw/zinc/15/42/95/670154295.db2.gz	YFDQLHWBASZCBT-ZJUUUORDSA-N	-1	0	307.368	0.223	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)ccc1OC	ZINC000802890162	670222354	/nfs/dbraw/zinc/22/23/54/670222354.db2.gz	MJXDHFISFDHHKO-UHFFFAOYSA-N	-1	0	312.347	0.565	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000803003209	670232690	/nfs/dbraw/zinc/23/26/90/670232690.db2.gz	VTVSZEKYWPEYHW-RYUDHWBXSA-N	-1	0	305.396	0.840	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000803010746	670233451	/nfs/dbraw/zinc/23/34/51/670233451.db2.gz	LWFSWQLNZOSBBQ-GFCCVEGCSA-N	-1	0	305.396	0.842	20	30		DCEDRM
Cc1ncsc1CCS(=O)(=O)[N-]C(=O)CSCC#N	ZINC000803026684	670233844	/nfs/dbraw/zinc/23/38/44/670233844.db2.gz	YGBAXEFDMCFEJD-UHFFFAOYSA-N	-1	0	319.433	0.697	20	30		DCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2cccc(-n3ccnn3)c2)nn1	ZINC000806575730	670322031	/nfs/dbraw/zinc/32/20/31/670322031.db2.gz	KWBDHIGRPSPAAI-SNAWJCMRSA-N	-1	0	324.300	0.840	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)CSc2n[nH]c(=O)[n-]2)c1	ZINC000806945972	670339062	/nfs/dbraw/zinc/33/90/62/670339062.db2.gz	YZCOOHJHKDZJQP-UHFFFAOYSA-N	-1	0	307.310	0.930	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCO2	ZINC000810528898	670489144	/nfs/dbraw/zinc/48/91/44/670489144.db2.gz	YFERNZLGUJCBMM-JTQLQIEISA-N	-1	0	306.322	0.141	20	30		DCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c(C2CC2)n1	ZINC000810656953	670492846	/nfs/dbraw/zinc/49/28/46/670492846.db2.gz	PUFWZYCNEXQIFL-UHFFFAOYSA-N	-1	0	310.379	0.907	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC	ZINC000810681525	670493503	/nfs/dbraw/zinc/49/35/03/670493503.db2.gz	JYRYWJOHTBCCAY-VHSXEESVSA-N	-1	0	303.380	0.680	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1-n1cccn1	ZINC000810771728	670496738	/nfs/dbraw/zinc/49/67/38/670496738.db2.gz	NQIOTBDIZOZCEM-UHFFFAOYSA-N	-1	0	303.343	0.955	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)n1cccn1	ZINC000810774250	670496930	/nfs/dbraw/zinc/49/69/30/670496930.db2.gz	FQNZAPFHDLECDE-AWEZNQCLSA-N	-1	0	317.370	0.942	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COCc1cccc(OC)c1	ZINC000810774025	670497021	/nfs/dbraw/zinc/49/70/21/670497021.db2.gz	LVCHHOYQYBRTLK-UHFFFAOYSA-N	-1	0	311.359	0.681	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CNC(=O)CCC1CCCC1	ZINC000810780186	670497424	/nfs/dbraw/zinc/49/74/24/670497424.db2.gz	SLCFDYORLRDAJC-UHFFFAOYSA-N	-1	0	314.407	0.542	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1Oc2ccccc2NC1=O	ZINC000810778192	670497442	/nfs/dbraw/zinc/49/74/42/670497442.db2.gz	XXCDQGUEKCYNGR-LBPRGKRZSA-N	-1	0	322.342	0.246	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CSC[C@@H]1CCCCO1	ZINC000810778848	670497557	/nfs/dbraw/zinc/49/75/57/670497557.db2.gz	PEANBTFGRDIKQZ-NSHDSACASA-N	-1	0	305.421	0.758	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1	ZINC000810779682	670497596	/nfs/dbraw/zinc/49/75/96/670497596.db2.gz	XFPFEIODIJCFEN-OAHLLOKOSA-N	-1	0	321.354	0.628	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)cc1F	ZINC000810780755	670497764	/nfs/dbraw/zinc/49/77/64/670497764.db2.gz	PQJGNDIHJDKXEZ-UHFFFAOYSA-N	-1	0	313.306	0.695	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1scnc1Br	ZINC000810780925	670497790	/nfs/dbraw/zinc/49/77/90/670497790.db2.gz	XFXQUTZKBSMHTR-UHFFFAOYSA-N	-1	0	323.193	0.989	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)c(C)c1	ZINC000810785710	670497990	/nfs/dbraw/zinc/49/79/90/670497990.db2.gz	OPJOURGQWMQDJC-UHFFFAOYSA-N	-1	0	319.346	0.054	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnnn1-c1cccc(F)c1	ZINC000810783518	670498092	/nfs/dbraw/zinc/49/80/92/670498092.db2.gz	SZRKHHDTVAARLF-UHFFFAOYSA-N	-1	0	322.321	0.489	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H]1Oc2ccccc2NC1=O	ZINC000810784113	670498095	/nfs/dbraw/zinc/49/80/95/670498095.db2.gz	SAFIMFSGJGEUIQ-LBPRGKRZSA-N	-1	0	322.342	0.246	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)CC1	ZINC000810983308	670501893	/nfs/dbraw/zinc/50/18/93/670501893.db2.gz	PLGRYSWMWNCXLF-WDEREUQCSA-N	-1	0	314.407	0.833	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC	ZINC000811143184	670509278	/nfs/dbraw/zinc/50/92/78/670509278.db2.gz	HPCABQINURFJHG-JTQLQIEISA-N	-1	0	321.395	0.613	20	30		DCEDRM
C[C@@H]1CCN(C(=O)NCCC#N)C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000854026863	670518088	/nfs/dbraw/zinc/51/80/88/670518088.db2.gz	ACXDGFAAKCIFDI-BDAKNGLRSA-N	-1	0	306.288	0.999	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1scc2c1OCCO2	ZINC000847621030	670583265	/nfs/dbraw/zinc/58/32/65/670583265.db2.gz	GSZKHPVRHXGUEM-SECBINFHSA-N	-1	0	324.358	0.994	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](CSC)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000812786132	670595921	/nfs/dbraw/zinc/59/59/21/670595921.db2.gz	ALWSVWPPVVQQEN-GRYCIOLGSA-N	-1	0	324.402	0.574	20	30		DCEDRM
CCc1nc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)co1	ZINC000813979219	670666599	/nfs/dbraw/zinc/66/65/99/670666599.db2.gz	OZVXICCAYAEPHQ-UHFFFAOYSA-N	-1	0	306.303	0.622	20	30		DCEDRM
CCn1ncn(N=Cc2cc(OC)c(O)cc2[N+](=O)[O-])c1=O	ZINC000814235583	670682878	/nfs/dbraw/zinc/68/28/78/670682878.db2.gz	RDQBSMNBSZCZLO-UHFFFAOYSA-N	-1	0	307.266	0.569	20	30		DCEDRM
Cn1nncc1NN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000814980741	670710013	/nfs/dbraw/zinc/71/00/13/670710013.db2.gz	KTVHHCZPNSSBQZ-UHFFFAOYSA-N	-1	0	320.265	0.633	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O	ZINC000855602616	670735141	/nfs/dbraw/zinc/73/51/41/670735141.db2.gz	DIEIERNSQZQCEY-OAHLLOKOSA-N	-1	0	301.302	0.135	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(OC)cccc1OC	ZINC000849219016	670766025	/nfs/dbraw/zinc/76/60/25/670766025.db2.gz	FRYOHRDTDNGJDQ-UHFFFAOYSA-N	-1	0	313.331	0.412	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)cc1	ZINC000815895134	670770814	/nfs/dbraw/zinc/77/08/14/670770814.db2.gz	FXSRBABOFKXQMI-UHFFFAOYSA-N	-1	0	321.358	0.376	20	30		DCEDRM
C=CCCONC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000856033891	670777556	/nfs/dbraw/zinc/77/75/56/670777556.db2.gz	VPFPWDGNAKZZKT-UHFFFAOYSA-N	-1	0	314.363	0.880	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000815997411	670778565	/nfs/dbraw/zinc/77/85/65/670778565.db2.gz	LCRXFOJTJOPXBZ-JTQLQIEISA-N	-1	0	309.347	0.358	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)Cc1cccnc1	ZINC000816013341	670779655	/nfs/dbraw/zinc/77/96/55/670779655.db2.gz	MBBNYKGBPNNPTQ-UHFFFAOYSA-N	-1	0	316.342	0.917	20	30		DCEDRM
C#CCCCS(=O)(=O)[N-][C@]1(C(=O)OC(C)(C)C)CCOC1	ZINC000849446916	670801997	/nfs/dbraw/zinc/80/19/97/670801997.db2.gz	DQWIGQRYKMFKKY-CQSZACIVSA-N	-1	0	317.407	0.820	20	30		DCEDRM
C#CC[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])c1ccccc1	ZINC000817110266	670894834	/nfs/dbraw/zinc/89/48/34/670894834.db2.gz	ARURRDAIUXEEJO-ZDUSSCGKSA-N	-1	0	302.330	0.800	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OC)c1	ZINC000850475509	670916966	/nfs/dbraw/zinc/91/69/66/670916966.db2.gz	AAHYNDMFGRCALC-UHFFFAOYSA-N	-1	0	324.337	0.354	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000850739211	670937212	/nfs/dbraw/zinc/93/72/12/670937212.db2.gz	JFAZPFKZIMICSV-SECBINFHSA-N	-1	0	321.358	0.926	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(Cn2ccnn2)c1	ZINC000850758496	670938630	/nfs/dbraw/zinc/93/86/30/670938630.db2.gz	GSAAKVQZOHELLO-AWEZNQCLSA-N	-1	0	309.329	0.927	20	30		DCEDRM
C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c(F)c1	ZINC000817883267	670950111	/nfs/dbraw/zinc/95/01/11/670950111.db2.gz	PBXXNGQTAHJYQP-LLVKDONJSA-N	-1	0	322.267	0.960	20	30		DCEDRM
COCCCOCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000850940393	670956174	/nfs/dbraw/zinc/95/61/74/670956174.db2.gz	MWWHQSSVTNTXSA-UHFFFAOYSA-N	-1	0	304.368	0.179	20	30		DCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1	ZINC000850943862	670956967	/nfs/dbraw/zinc/95/69/67/670956967.db2.gz	VWMXBSHYMGWCDC-JTQLQIEISA-N	-1	0	316.379	0.858	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)ccc1C#N	ZINC000850991240	670959747	/nfs/dbraw/zinc/95/97/47/670959747.db2.gz	RTNDIPPJPLGNGX-SECBINFHSA-N	-1	0	312.347	0.661	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)Cc1cccc2c1OCCO2	ZINC000851052775	670964785	/nfs/dbraw/zinc/96/47/85/670964785.db2.gz	IOJTUGIIHJQODD-JTQLQIEISA-N	-1	0	324.358	0.954	20	30		DCEDRM
COC1(C(=O)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)CC1	ZINC000851190933	670972765	/nfs/dbraw/zinc/97/27/65/670972765.db2.gz	LQMNGFICJQGLRY-UHFFFAOYSA-N	-1	0	312.322	0.822	20	30		DCEDRM
C=C(Cl)CNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000858232112	670982486	/nfs/dbraw/zinc/98/24/86/670982486.db2.gz	LRJGIPNXTPIFLQ-UHFFFAOYSA-N	-1	0	309.713	0.139	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C(COC)COC)CCC1	ZINC000851501707	670993569	/nfs/dbraw/zinc/99/35/69/670993569.db2.gz	GABFTQFBXDBFIX-UHFFFAOYSA-N	-1	0	305.396	0.840	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000820064902	671161067	/nfs/dbraw/zinc/16/10/67/671161067.db2.gz	OSNBBMAAJOOOJX-SNVBAGLBSA-N	-1	0	317.370	0.186	20	30		DCEDRM
O=C(Cc1ccn(-c2ccc(F)cc2)n1)N[C@H]1CCN(O)C1=O	ZINC000820149173	671172159	/nfs/dbraw/zinc/17/21/59/671172159.db2.gz	MPBOWARPYYQVGM-ZDUSSCGKSA-N	-1	0	318.308	0.660	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CCOCC1	ZINC000820550077	671209531	/nfs/dbraw/zinc/20/95/31/671209531.db2.gz	DGKQBFSUXTYUKJ-LBPRGKRZSA-N	-1	0	317.407	0.984	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)COCC(F)F)cc1	ZINC000860448136	671209614	/nfs/dbraw/zinc/20/96/14/671209614.db2.gz	JKMCPDBOZHRXSZ-UHFFFAOYSA-N	-1	0	318.301	0.786	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)OCC	ZINC000853205988	671218860	/nfs/dbraw/zinc/21/88/60/671218860.db2.gz	JLASLPOQBAFEKD-VXGBXAGGSA-N	-1	0	323.411	0.465	20	30		DCEDRM
Cn1cncc1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000821619891	671286294	/nfs/dbraw/zinc/28/62/94/671286294.db2.gz	QKSZNLKXLUOCCW-UHFFFAOYSA-N	-1	0	304.331	0.552	20	30		DCEDRM
CC(=O)Nc1cccc(Cn2cnc(-c3nnn[n-]3)c2C#N)c1	ZINC000824004660	671415534	/nfs/dbraw/zinc/41/55/34/671415534.db2.gz	CAJSRVIORUCKFS-UHFFFAOYSA-N	-1	0	308.305	0.942	20	30		DCEDRM
C[C@@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)C1	ZINC000824937642	671444581	/nfs/dbraw/zinc/44/45/81/671444581.db2.gz	QIXMCFLQIKQKDA-SECBINFHSA-N	-1	0	300.326	0.193	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCOC2	ZINC000825138367	671450500	/nfs/dbraw/zinc/45/05/00/671450500.db2.gz	ZFXGBSMFKLGMSA-BLLLJJGKSA-N	-1	0	324.377	0.941	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000825967345	671475992	/nfs/dbraw/zinc/47/59/92/671475992.db2.gz	UDYQMXUGZNGANZ-APPZFPTMSA-N	-1	0	307.331	0.827	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CCCOCC(F)(F)F	ZINC000826383171	671487021	/nfs/dbraw/zinc/48/70/21/671487021.db2.gz	NSTWYEBTIAUPDA-UHFFFAOYSA-N	-1	0	301.232	0.904	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])c1	ZINC000831146781	671655755	/nfs/dbraw/zinc/65/57/55/671655755.db2.gz	YSVIDDAYDPUYAB-GFCCVEGCSA-N	-1	0	316.317	0.755	20	30		DCEDRM
COc1ccc(OC)c(NC(=O)CN(CC#N)CC(=O)[O-])c1	ZINC000832435332	671719661	/nfs/dbraw/zinc/71/96/61/671719661.db2.gz	GACFKKRYNKMMII-UHFFFAOYSA-N	-1	0	307.306	0.552	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000832769363	671740537	/nfs/dbraw/zinc/74/05/37/671740537.db2.gz	FFFKGIYXJVXNAL-ZDUSSCGKSA-N	-1	0	302.334	0.321	20	30		DCEDRM
C#CCN(CC(=O)[N-]OC[C@@H]1CCOC1)C(=O)OC(C)(C)C	ZINC000834294874	671752900	/nfs/dbraw/zinc/75/29/00/671752900.db2.gz	YMHFYZDDLZAZIN-GFCCVEGCSA-N	-1	0	312.366	0.941	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)N1CCc2ccccc21	ZINC000835125541	671788187	/nfs/dbraw/zinc/78/81/87/671788187.db2.gz	YCBGYGGJJIHSEQ-LLVKDONJSA-N	-1	0	308.359	0.448	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](CNC(C)=O)CC(C)C	ZINC000835371734	671794812	/nfs/dbraw/zinc/79/48/12/671794812.db2.gz	LEULRFNSNOZUPR-ZDUSSCGKSA-N	-1	0	316.423	0.644	20	30		DCEDRM
COC(=O)C12CC(C(=O)[N-]S(=O)(=O)CCCC#N)(C1)C2	ZINC000842750563	672033529	/nfs/dbraw/zinc/03/35/29/672033529.db2.gz	TYWSOBMLNNRACH-UHFFFAOYSA-N	-1	0	300.336	0.079	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C23CC(C(=O)OC)(C2)C3)CC1	ZINC000842799369	672038385	/nfs/dbraw/zinc/03/83/85/672038385.db2.gz	MJZUTGCFCADTNK-UHFFFAOYSA-N	-1	0	313.375	0.884	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](CC)C(=O)[O-]	ZINC000843048142	672055766	/nfs/dbraw/zinc/05/57/66/672055766.db2.gz	PAZFMGZVMJWOSH-JTQLQIEISA-N	-1	0	322.292	0.756	20	30		DCEDRM
CC[C@H](NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)C(=O)[O-]	ZINC000843048290	672055814	/nfs/dbraw/zinc/05/58/14/672055814.db2.gz	XNVMPFFQXFHMHL-UWVGGRQHSA-N	-1	0	319.317	0.895	20	30		DCEDRM
C=CCn1c(=O)c2ccc(C(=O)NCC(N)=O)cc2[n-]c1=S	ZINC000843408364	672092768	/nfs/dbraw/zinc/09/27/68/672092768.db2.gz	ZTRJEXYWFBDSPB-UHFFFAOYSA-N	-1	0	318.358	0.086	20	30		DCEDRM
CCN(OC)C(=O)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000844068960	672145279	/nfs/dbraw/zinc/14/52/79/672145279.db2.gz	HACKDVMTDOLJQV-UHFFFAOYSA-N	-1	0	324.362	0.520	20	30		DCEDRM
Cc1cc(CS(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)on1	ZINC000844818446	672204563	/nfs/dbraw/zinc/20/45/63/672204563.db2.gz	RIERTEZWPWJMLC-UHFFFAOYSA-N	-1	0	312.347	0.613	20	30		DCEDRM
C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844814756	672204628	/nfs/dbraw/zinc/20/46/28/672204628.db2.gz	KCQHYRPHBWDXKQ-JQWIXIFHSA-N	-1	0	301.364	0.294	20	30		DCEDRM
COC(=O)CCCS(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844814251	672204708	/nfs/dbraw/zinc/20/47/08/672204708.db2.gz	BQEIBVGDQXGDOE-UHFFFAOYSA-N	-1	0	317.363	0.069	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc2n1[C@@H](C)CCC2	ZINC000845439996	672248436	/nfs/dbraw/zinc/24/84/36/672248436.db2.gz	BSNQDRPQEHSQBH-WDEREUQCSA-N	-1	0	304.350	0.865	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccccc1CC(=O)OC	ZINC000846147324	672297353	/nfs/dbraw/zinc/29/73/53/672297353.db2.gz	VBIDJEGVPNEMBQ-UHFFFAOYSA-N	-1	0	306.318	0.965	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2	ZINC000846146838	672297380	/nfs/dbraw/zinc/29/73/80/672297380.db2.gz	QUMWVPLMLKUASU-UHFFFAOYSA-N	-1	0	324.358	0.579	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccccc1OCCC(N)=O	ZINC000846150939	672297515	/nfs/dbraw/zinc/29/75/15/672297515.db2.gz	QBCVQWLSJFZCPG-UHFFFAOYSA-N	-1	0	321.333	0.503	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F	ZINC000846146819	672297523	/nfs/dbraw/zinc/29/75/23/672297523.db2.gz	LQTWCEXGSHZHTM-SECBINFHSA-N	-1	0	320.271	0.764	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)Cn1c2ccccc2c(=O)n(CC)c1=O	ZINC000846544973	672326730	/nfs/dbraw/zinc/32/67/30/672326730.db2.gz	ZXWQEBLVBFBDCC-LLVKDONJSA-N	-1	0	317.345	0.805	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)s2)CC1	ZINC000793196995	685343525	/nfs/dbraw/zinc/34/35/25/685343525.db2.gz	LQRWANLBPZPTIO-UHFFFAOYSA-N	-1	0	313.360	0.210	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCc2cscn2)c1	ZINC000813985160	685351619	/nfs/dbraw/zinc/35/16/19/685351619.db2.gz	PAVQROMUJHZHKR-UHFFFAOYSA-N	-1	0	322.371	0.847	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)c1[O-]	ZINC000961388176	688607248	/nfs/dbraw/zinc/60/72/48/688607248.db2.gz	XFWLPQBEWJDZTQ-INTQDDNPSA-N	-1	0	317.349	0.114	20	30		DCEDRM
CC(C)C[C@]1(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCNC1=O	ZINC001570861227	1162636555	/nfs/dbraw/zinc/63/65/55/1162636555.db2.gz	SFZGLKIBMOPDEN-CQSZACIVSA-N	-1	0	300.322	0.644	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001570946245	1162652507	/nfs/dbraw/zinc/65/25/07/1162652507.db2.gz	BBWNOIORIZZWSY-LPWJVIDDSA-N	-1	0	319.409	0.907	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001571821342	1162943165	/nfs/dbraw/zinc/94/31/65/1162943165.db2.gz	OVIGUNALEZBHQF-ONGXEEELSA-N	-1	0	322.365	0.039	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(=O)[n-]c1=O	ZINC001465142168	1159767106	/nfs/dbraw/zinc/76/71/06/1159767106.db2.gz	QOHFPAQFULQLOD-GMXVVIOVSA-N	-1	0	316.361	0.906	20	30		DCEDRM
CC(C)C[C@H](CNCC#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001568335958	1160631018	/nfs/dbraw/zinc/63/10/18/1160631018.db2.gz	JWZZIHBADXWIJT-LLVKDONJSA-N	-1	0	316.365	0.280	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2c(O)cccc2Cl)c(=O)[n-]c1=O	ZINC001569682594	1161194378	/nfs/dbraw/zinc/19/43/78/1161194378.db2.gz	OOAADBKIYIBVHS-UHFFFAOYSA-N	-1	0	320.692	0.818	20	30		DCEDRM
CC#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573384658	1163420345	/nfs/dbraw/zinc/42/03/45/1163420345.db2.gz	OFQKMDFUAKDIIX-STQMWFEESA-N	-1	0	323.393	0.849	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C1(C(=O)[O-])CCOCC1	ZINC001573397717	1163423818	/nfs/dbraw/zinc/42/38/18/1163423818.db2.gz	AIADBTZBACRTLZ-UWVGGRQHSA-N	-1	0	321.337	0.097	20	30		DCEDRM
C[C@@H](NC(=O)C1(C#N)CCSCC1)c1nc(C(=O)[O-])n[nH]1	ZINC001573560309	1163500442	/nfs/dbraw/zinc/50/04/42/1163500442.db2.gz	SOYREERHWXDNHL-SSDOTTSWSA-N	-1	0	309.351	0.717	20	30		DCEDRM
CC(C)(C)OC(=O)[C@H](CC(=O)[O-])NC(=O)CSCC#N	ZINC001573778580	1163550838	/nfs/dbraw/zinc/55/08/38/1163550838.db2.gz	FRGNBIGIDMIYIR-QMMMGPOBSA-N	-1	0	302.352	0.544	20	30		DCEDRM
CC(C)(O)[C@@H]1CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001573923649	1163588868	/nfs/dbraw/zinc/58/88/68/1163588868.db2.gz	WJMUOOMAWFSLFT-SECBINFHSA-N	-1	0	314.353	0.516	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO	ZINC001574012744	1163624394	/nfs/dbraw/zinc/62/43/94/1163624394.db2.gz	ROAULTUXAHHNIL-CMPLNLGQSA-N	-1	0	319.317	0.267	20	30		DCEDRM
N#C[C@H]1CN(C(=O)Nc2c(C(=O)[O-])nc3ccccn32)CCO1	ZINC001574242206	1163672584	/nfs/dbraw/zinc/67/25/84/1163672584.db2.gz	TWAHVDDJYAPDJX-VIFPVBQESA-N	-1	0	315.289	0.789	20	30		DCEDRM
N#Cc1ccnc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)c1	ZINC001574248168	1163673388	/nfs/dbraw/zinc/67/33/88/1163673388.db2.gz	FBFQNGNOGLMIMF-OLZOCXBDSA-N	-1	0	312.285	0.265	20	30		DCEDRM
N#Cc1ccnc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)c1	ZINC001574248130	1163673825	/nfs/dbraw/zinc/67/38/25/1163673825.db2.gz	FBFQNGNOGLMIMF-CHWSQXEVSA-N	-1	0	312.285	0.265	20	30		DCEDRM
N#Cc1cc(NC(=O)N[C@@H]2CCOC[C@H]2O)ccc1NC(=O)[O-]	ZINC001574245549	1163673837	/nfs/dbraw/zinc/67/38/37/1163673837.db2.gz	RVXLUFGHHOANNY-VXGBXAGGSA-N	-1	0	320.305	0.919	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(C[N@H+]1CCC[C@H]1CC(=O)[O-])cc2=O	ZINC001574249070	1163674724	/nfs/dbraw/zinc/67/47/24/1163674724.db2.gz	QZJKLLFUAGCOHM-NSHDSACASA-N	-1	0	301.306	0.746	20	30		DCEDRM
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579602187	1165358185	/nfs/dbraw/zinc/35/81/85/1165358185.db2.gz	BLALQOANYFLWJV-HRQVCAOESA-N	-1	0	324.348	0.388	20	30		DCEDRM
COC[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)[C@H]1CCCO1	ZINC001579699563	1165379152	/nfs/dbraw/zinc/37/91/52/1165379152.db2.gz	KXVFKGCBRXNPSZ-VHSXEESVSA-N	-1	0	316.325	0.134	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1cccc2c1CCOC2	ZINC001581860692	1165891428	/nfs/dbraw/zinc/89/14/28/1165891428.db2.gz	OMKAXIMZKOPNLA-UHFFFAOYSA-N	-1	0	322.332	0.638	20	30		DCEDRM
N#Cc1[n-]c(NC(=O)C23CCC[NH+]2CCC3)nc1-c1nn[n-]n1	ZINC001581860091	1165893292	/nfs/dbraw/zinc/89/32/92/1165893292.db2.gz	KGWSDCSNPOYXBK-UHFFFAOYSA-N	-1	0	313.325	0.028	20	30		DCEDRM
N#Cc1nc(NC(=O)Cc2ncccc2F)[n-]c1-c1nn[nH]n1	ZINC001581860833	1165894627	/nfs/dbraw/zinc/89/46/27/1165894627.db2.gz	VEUPCLNWQPBQRS-UHFFFAOYSA-N	-1	0	313.256	0.177	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2c3ccccc3C[C@@H]2O)nc1-c1nnn[n-]1	ZINC001581883165	1165902177	/nfs/dbraw/zinc/90/21/77/1165902177.db2.gz	QFXSIMIBZYJNCE-WCQYABFASA-N	-1	0	320.316	0.599	20	30		DCEDRM
CC(C)C[C@@H](C#N)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001584234218	1166315727	/nfs/dbraw/zinc/31/57/27/1166315727.db2.gz	IYIZKUALZVANCP-NSHDSACASA-N	-1	0	303.322	0.265	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2csc(C=O)c2)c(=O)[n-]c1=O	ZINC001585295658	1166415295	/nfs/dbraw/zinc/41/52/95/1166415295.db2.gz	IUBNMXCXWVCOIG-UHFFFAOYSA-N	-1	0	318.314	0.125	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1[nH]cnc1C(=O)c1ccccc1)C(=O)[O-]	ZINC001588414672	1166551929	/nfs/dbraw/zinc/55/19/29/1166551929.db2.gz	XSDUFDVOKDAMBQ-LLVKDONJSA-N	-1	0	311.297	0.847	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)C[C@@H](C)COC1CCCC1)C(=O)[O-]	ZINC001588423491	1166554394	/nfs/dbraw/zinc/55/43/94/1166554394.db2.gz	IXNWQHHMRHUJKC-AAEUAGOBSA-N	-1	0	317.407	0.978	20	30		DCEDRM
C=CCCC(=O)NCCN(CC)c1ccnc(-c2nnn[n-]2)n1	ZINC001588572697	1166564838	/nfs/dbraw/zinc/56/48/38/1166564838.db2.gz	OJOPVNCSPUBBIA-UHFFFAOYSA-N	-1	0	316.369	0.565	20	30		DCEDRM
C=CCn1cc(C(=O)N2CCc3ccc(-c4nn[nH]n4)cc32)nn1	ZINC001588712694	1166582104	/nfs/dbraw/zinc/58/21/04/1166582104.db2.gz	BYRDLAXIAAMXFB-UHFFFAOYSA-N	-1	0	322.332	0.847	20	30		DCEDRM
C[C@@H](C(=O)N(CCC#N)CC1CC1)n1cnc(-c2nnn[n-]2)n1	ZINC001588943679	1166621250	/nfs/dbraw/zinc/62/12/50/1166621250.db2.gz	YTXFPOBSQAKLLQ-VIFPVBQESA-N	-1	0	315.341	0.171	20	30		DCEDRM
CC(C)(C)C[C@@H](CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589118466	1166635118	/nfs/dbraw/zinc/63/51/18/1166635118.db2.gz	GOSWTDNPLJHETN-QMMMGPOBSA-N	-1	0	302.342	0.737	20	30		DCEDRM
C[C@H](C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-])n1cnc(C#N)n1	ZINC001589539631	1166664929	/nfs/dbraw/zinc/66/49/29/1166664929.db2.gz	FAYWVYSXPBANHL-PWSUYJOCSA-N	-1	0	314.301	0.950	20	30		DCEDRM
C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1CC#N	ZINC001590171065	1166799776	/nfs/dbraw/zinc/79/97/76/1166799776.db2.gz	FWOJIHCPCXJSMX-ZJUUUORDSA-N	-1	0	314.353	0.301	20	30		DCEDRM
C[C@H]1CCC[C@@]1(O)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590247964	1166827612	/nfs/dbraw/zinc/82/76/12/1166827612.db2.gz	MQFUZCBEHVUKMX-ISVAXAHUSA-N	-1	0	300.326	0.491	20	30		DCEDRM
CCOC(OCC)[C@H](C)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590785709	1167018672	/nfs/dbraw/zinc/01/86/72/1167018672.db2.gz	UTZJUUFHPGWLRJ-QMMMGPOBSA-N	-1	0	318.341	0.728	20	30		DCEDRM
CC(C)C#CC(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001590926998	1167054446	/nfs/dbraw/zinc/05/44/46/1167054446.db2.gz	NZVRNOPEGQGYTE-UHFFFAOYSA-N	-1	0	302.334	0.483	20	30		DCEDRM
CNc1cc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)ccn1	ZINC001591221051	1167164788	/nfs/dbraw/zinc/16/47/88/1167164788.db2.gz	ROURVPMFMNAXHJ-UHFFFAOYSA-N	-1	0	308.309	0.577	20	30		DCEDRM
CO[C@@H](Cn1c(N)nc(-c2nnn[n-]2)c1C#N)C1CCCC1	ZINC001591333704	1167219326	/nfs/dbraw/zinc/21/93/26/1167219326.db2.gz	NEOABUQACMFLMH-JTQLQIEISA-N	-1	0	302.342	0.722	20	30		DCEDRM
CO[C@H]1C[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1(C)C	ZINC001591349843	1167227628	/nfs/dbraw/zinc/22/76/28/1167227628.db2.gz	KVZYXHRUPJLWOQ-BDAKNGLRSA-N	-1	0	300.326	0.754	20	30		DCEDRM
CO[C@@H]1CCC[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001591362935	1167235315	/nfs/dbraw/zinc/23/53/15/1167235315.db2.gz	UODBHKYWHAJBTO-POYBYMJQSA-N	-1	0	302.298	0.215	20	30		DCEDRM
COC[C@H](C#N)OC(=O)C1(c2cccc(-c3nn[nH]n3)c2)CC1	ZINC001591367791	1167238602	/nfs/dbraw/zinc/23/86/02/1167238602.db2.gz	PHIJTRFNVLGDCQ-LBPRGKRZSA-N	-1	0	313.317	0.980	20	30		DCEDRM
COCC#CCn1cc2c(c(-c3nnn[n-]3)c1=O)CCCC2=O	ZINC001591364157	1167239595	/nfs/dbraw/zinc/23/95/95/1167239595.db2.gz	VDBIWAXWUHZDAH-UHFFFAOYSA-N	-1	0	313.317	0.197	20	30		DCEDRM
CS(=O)(=O)CC1(Cn2cnc(-c3nnn[n-]3)c2C#N)CCC1	ZINC001591672708	1167349736	/nfs/dbraw/zinc/34/97/36/1167349736.db2.gz	CIXPSDRTEHVPBX-UHFFFAOYSA-N	-1	0	321.366	0.150	20	30		DCEDRM
C[C@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)C#CC1CC1	ZINC001591765916	1167368232	/nfs/dbraw/zinc/36/82/32/1167368232.db2.gz	KDUVWSPHGUGGCR-SNVBAGLBSA-N	-1	0	311.349	0.592	20	30		DCEDRM
Cc1ccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)cc1C#N	ZINC001592171971	1167468527	/nfs/dbraw/zinc/46/85/27/1167468527.db2.gz	TYJNEIWONHVNPB-UHFFFAOYSA-N	-1	0	305.305	0.745	20	30		DCEDRM
Cn1ncc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1C1CC1	ZINC001592599625	1167579196	/nfs/dbraw/zinc/57/91/96/1167579196.db2.gz	NVUKKAFBYACADQ-UHFFFAOYSA-N	-1	0	324.308	0.325	20	30		DCEDRM
N#CCCN(CC1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001592676896	1167595626	/nfs/dbraw/zinc/59/56/26/1167595626.db2.gz	HJBCUGAJYYJVDV-UHFFFAOYSA-N	-1	0	322.350	0.774	20	30		DCEDRM
N#Cc1ncc(N2CC3(C2)CC(F)(F)C3)nc1-c1nnn[n-]1	ZINC001592708551	1167606246	/nfs/dbraw/zinc/60/62/46/1167606246.db2.gz	ZKADYUWGMZFBRI-UHFFFAOYSA-N	-1	0	304.264	0.764	20	30		DCEDRM
Cc1cc(C=NNC(=S)NC[C@@H]2CCCO2)[nH]c1C(=O)[O-]	ZINC001600185170	1168132726	/nfs/dbraw/zinc/13/27/26/1168132726.db2.gz	JVWXOMNULPQYQK-JTQLQIEISA-N	-1	0	310.379	0.998	20	30		DCEDRM
Cc1cc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])ccc1C#N	ZINC001600196374	1168136355	/nfs/dbraw/zinc/13/63/55/1168136355.db2.gz	QGRJZBXIHMMAGC-CQSZACIVSA-N	-1	0	322.386	0.940	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCO[C@](C)(C#N)C2)oc1C(=O)[O-]	ZINC001600295445	1168158001	/nfs/dbraw/zinc/15/80/01/1168158001.db2.gz	XVVQTNHAAAZLSU-GFCCVEGCSA-N	-1	0	314.319	0.589	20	30		DCEDRM
Cc1ccc(C(=O)/C=C/C(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1	ZINC001600329221	1168165221	/nfs/dbraw/zinc/16/52/21/1168165221.db2.gz	NTMJGMCONHTOSY-FYCOFBDGSA-N	-1	0	303.314	0.782	20	30		DCEDRM
Cc1cn2ccnc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)c2n1	ZINC001600614827	1168213609	/nfs/dbraw/zinc/21/36/09/1168213609.db2.gz	ISDGMJDCOUSJNM-UHFFFAOYSA-N	-1	0	313.317	0.868	20	30		DCEDRM
Cc1nc(C#N)c(N2CCC(C(=O)N3CC(C(=O)[O-])C3)CC2)o1	ZINC001600682589	1168246906	/nfs/dbraw/zinc/24/69/06/1168246906.db2.gz	SSNKDDVFQWFIFL-UHFFFAOYSA-N	-1	0	318.333	0.614	20	30		DCEDRM
Cc1nc(NCCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])ccc1C#N	ZINC001600715836	1168261409	/nfs/dbraw/zinc/26/14/09/1168261409.db2.gz	HFTFWAZEHDSKML-NEPJUHHUSA-N	-1	0	302.334	0.901	20	30		DCEDRM
Cc1onc(CC(=O)NCc2ccc(C(=O)[O-])nc2)c1C#N	ZINC001600864461	1168492644	/nfs/dbraw/zinc/49/26/44/1168492644.db2.gz	NDEFZZZKAFORPU-UHFFFAOYSA-N	-1	0	300.274	0.807	20	30		DCEDRM
Cn1c(C=NNc2ccc(S(N)(=O)=O)cc2)ccc1C(=O)[O-]	ZINC001600912688	1168506512	/nfs/dbraw/zinc/50/65/12/1168506512.db2.gz	URXGCDGROFCRMJ-UHFFFAOYSA-N	-1	0	322.346	0.817	20	30		DCEDRM
Cn1cc(CCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001600950812	1168527496	/nfs/dbraw/zinc/52/74/96/1168527496.db2.gz	NRTKUILTDOEVTD-UHFFFAOYSA-N	-1	0	305.338	0.363	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)CC1	ZINC001601049725	1168577636	/nfs/dbraw/zinc/57/76/36/1168577636.db2.gz	UWBVEEXSCGWHGI-WDEREUQCSA-N	-1	0	307.350	0.495	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)c2ccns2)CC1	ZINC001601053285	1168577736	/nfs/dbraw/zinc/57/77/36/1168577736.db2.gz	DTUMDCGHWJDBHB-UHFFFAOYSA-N	-1	0	301.349	0.522	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)c2ccc3c(n2)OCCO3)CC1	ZINC001601055377	1168578228	/nfs/dbraw/zinc/57/82/28/1168578228.db2.gz	JMETVLHNISGXBS-UHFFFAOYSA-N	-1	0	317.301	0.683	20	30		DCEDRM
N#CC1(NC(=O)CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])CCCCC1	ZINC001601056944	1168578515	/nfs/dbraw/zinc/57/85/15/1168578515.db2.gz	FWPXBTHECZLWDV-DGCLKSJQSA-N	-1	0	309.366	0.239	20	30		DCEDRM
N#CC1(CNS(=O)(=O)c2cccc(C(=O)[O-])c2)CCOCC1	ZINC001601056218	1168578658	/nfs/dbraw/zinc/57/86/58/1168578658.db2.gz	UBVDEUWDISLNJN-UHFFFAOYSA-N	-1	0	324.358	0.983	20	30		DCEDRM
N#CCC[C@@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1ccccc1	ZINC001601066127	1168580298	/nfs/dbraw/zinc/58/02/98/1168580298.db2.gz	DUNZUEZPMXDDMH-GFCCVEGCSA-N	-1	0	303.318	0.872	20	30		DCEDRM
N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])n1	ZINC001601068914	1168580335	/nfs/dbraw/zinc/58/03/35/1168580335.db2.gz	XHBMYVHNCNSZSI-JTQLQIEISA-N	-1	0	319.321	0.201	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)C1CCN(c2cnccn2)CC1	ZINC001601071287	1168580889	/nfs/dbraw/zinc/58/08/89/1168580889.db2.gz	YQNANOJYNSPEOA-UHFFFAOYSA-N	-1	0	317.349	0.520	20	30		DCEDRM
N#CCCn1ccc(NC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)n1	ZINC001601070478	1168581077	/nfs/dbraw/zinc/58/10/77/1168581077.db2.gz	OVAULHOCZXFMBY-CQSZACIVSA-N	-1	0	321.337	0.942	20	30		DCEDRM
N#CCSCCCN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC001601075032	1168582444	/nfs/dbraw/zinc/58/24/44/1168582444.db2.gz	BTALCQMNSBLXFL-JTQLQIEISA-N	-1	0	306.409	0.207	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)c1	ZINC001601078481	1168583011	/nfs/dbraw/zinc/58/30/11/1168583011.db2.gz	YXQUHXLHNSJYSJ-CYBMUJFWSA-N	-1	0	312.322	0.940	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C1	ZINC001601078954	1168583060	/nfs/dbraw/zinc/58/30/60/1168583060.db2.gz	AKMFLEPNCIQEAT-RBZYPMLTSA-N	-1	0	306.322	0.694	20	30		DCEDRM
N#CCc1cccc(NC(=O)NC[C@]2(C(=O)[O-])CCOC2)n1	ZINC001601078306	1168583187	/nfs/dbraw/zinc/58/31/87/1168583187.db2.gz	SCBXZXQWBGEHBY-CQSZACIVSA-N	-1	0	304.306	0.760	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])ccc1F	ZINC001601084386	1168583345	/nfs/dbraw/zinc/58/33/45/1168583345.db2.gz	DEDYLSASQHXUJL-GFCCVEGCSA-N	-1	0	319.292	0.503	20	30		DCEDRM
N#Cc1c(COC(=O)CS(=O)(=O)C2CC2)cccc1C(=O)[O-]	ZINC001601083770	1168583348	/nfs/dbraw/zinc/58/33/48/1168583348.db2.gz	RFBHARFQZWMEAT-UHFFFAOYSA-N	-1	0	323.326	0.877	20	30		DCEDRM
N#Cc1c(N)c([N+](=O)[O-])ccc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001601083243	1168583451	/nfs/dbraw/zinc/58/34/51/1168583451.db2.gz	SVXVSCQPGRRQOM-QMMMGPOBSA-N	-1	0	306.278	0.729	20	30		DCEDRM
N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	ZINC001601088472	1168583456	/nfs/dbraw/zinc/58/34/56/1168583456.db2.gz	VSXKMFDNMXFXJK-SECBINFHSA-N	-1	0	318.738	0.326	20	30		DCEDRM
N#Cc1cc(Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)ccn1	ZINC001601088459	1168583513	/nfs/dbraw/zinc/58/35/13/1168583513.db2.gz	VKDWYNBGMNBTRQ-UHFFFAOYSA-N	-1	0	300.230	0.770	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)ccc1F	ZINC001601090122	1168583882	/nfs/dbraw/zinc/58/38/82/1168583882.db2.gz	KMTDWHLIDBVFAA-UHFFFAOYSA-N	-1	0	305.265	0.759	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])c(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1F	ZINC001601091027	1168584191	/nfs/dbraw/zinc/58/41/91/1168584191.db2.gz	HQICOTSVKGAORE-IUCAKERBSA-N	-1	0	309.253	0.877	20	30		DCEDRM
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC001601099472	1168584770	/nfs/dbraw/zinc/58/47/70/1168584770.db2.gz	OECKNSWEIDUTOQ-KGLIPLIRSA-N	-1	0	313.313	0.553	20	30		DCEDRM
N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nc1	ZINC001601109028	1168585934	/nfs/dbraw/zinc/58/59/34/1168585934.db2.gz	AZUVBPDSEKLMLF-GRYCIOLGSA-N	-1	0	301.302	0.654	20	30		DCEDRM
N#Cc1ccc(N2C[C@@H](C(=O)NCCC(=O)[O-])CC2=O)cc1	ZINC001601106113	1168586488	/nfs/dbraw/zinc/58/64/88/1168586488.db2.gz	NIVMRWVEICPVMM-NSHDSACASA-N	-1	0	301.302	0.502	20	30		DCEDRM
N#Cc1cccc(NC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])n1	ZINC001601121022	1168587293	/nfs/dbraw/zinc/58/72/93/1168587293.db2.gz	ZMSMDXARROYOTE-JTQLQIEISA-N	-1	0	317.305	0.150	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)[C@H]2CCS(=O)(=O)C2)C(=O)[O-])c1	ZINC001601118711	1168587333	/nfs/dbraw/zinc/58/73/33/1168587333.db2.gz	NYEBNKKJEZYXAT-NWDGAFQWSA-N	-1	0	323.326	0.662	20	30		DCEDRM
N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](F)C(=O)[O-]	ZINC001601114231	1168587535	/nfs/dbraw/zinc/58/75/35/1168587535.db2.gz	OTHBYLKOXXJDMR-QMMMGPOBSA-N	-1	0	317.254	0.167	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@@H](NS(=O)(=O)CCCC(=O)[O-])C2	ZINC001601114051	1168587593	/nfs/dbraw/zinc/58/75/93/1168587593.db2.gz	IUCSNXLIDVYDRY-ZDUSSCGKSA-N	-1	0	308.359	0.810	20	30		DCEDRM
N#Cc1cccnc1-n1cc(NC(=O)NCCC(=O)[O-])cn1	ZINC001601127896	1168589610	/nfs/dbraw/zinc/58/96/10/1168589610.db2.gz	XVSCTRPBKSYBGQ-UHFFFAOYSA-N	-1	0	300.278	0.735	20	30		DCEDRM
N#Cc1ccnc(N2CCN(c3nccnc3C(=O)[O-])CC2)c1	ZINC001601127256	1168590021	/nfs/dbraw/zinc/59/00/21/1168590021.db2.gz	HMBSXBYHZPNLIG-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1cnccc1N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001601131661	1168592425	/nfs/dbraw/zinc/59/24/25/1168592425.db2.gz	KSSKVXVVDWBBOI-NWDGAFQWSA-N	-1	0	300.318	0.323	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2cc(CCC(=O)[O-])ccc2O)n1	ZINC001601135230	1168592979	/nfs/dbraw/zinc/59/29/79/1168592979.db2.gz	LBKODXRZBRPEIE-UHFFFAOYSA-N	-1	0	315.289	0.511	20	30		DCEDRM
N#Cc1cnccc1N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001601131812	1168593075	/nfs/dbraw/zinc/59/30/75/1168593075.db2.gz	RXLHUWISSZYDJU-WRWGMCAJSA-N	-1	0	300.318	0.155	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001601135568	1168594136	/nfs/dbraw/zinc/59/41/36/1168594136.db2.gz	DLJCFWLUWQZISV-SFYZADRCSA-N	-1	0	316.360	0.076	20	30		DCEDRM
N#Cc1sccc1N1CCN(CCC(=O)NCC(=O)[O-])CC1	ZINC001601135706	1168594235	/nfs/dbraw/zinc/59/42/35/1168594235.db2.gz	KRQLZDSVJBKAKB-UHFFFAOYSA-N	-1	0	322.390	0.333	20	30		DCEDRM
O=C([O-])C1(O)CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1	ZINC001601239065	1168673264	/nfs/dbraw/zinc/67/32/64/1168673264.db2.gz	SEVVXCUMOWRRFW-UTCJRWHESA-N	-1	0	321.304	0.846	20	30		DCEDRM
O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC001601760424	1168859333	/nfs/dbraw/zinc/85/93/33/1168859333.db2.gz	MIPIFPMHYJDQCE-NEPJUHHUSA-N	-1	0	317.297	0.061	20	30		DCEDRM
O=C([O-])c1ccc(C=NNC(=S)NC[C@@H]2CCCO2)nc1	ZINC001602331302	1169060415	/nfs/dbraw/zinc/06/04/15/1169060415.db2.gz	ZRZYKULHHYZAPV-NSHDSACASA-N	-1	0	308.363	0.757	20	30		DCEDRM
C#CCC1(O)CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC001602699327	1169164374	/nfs/dbraw/zinc/16/43/74/1169164374.db2.gz	BDTANVYRTVIGFM-UHFFFAOYSA-N	-1	0	323.370	0.924	20	30		DCEDRM
C#CCCCCNc1cccc(S(N)(=O)=O)c1-c1nn[nH]n1	ZINC001602711171	1169165725	/nfs/dbraw/zinc/16/57/25/1169165725.db2.gz	LHNJUVJKSDFZMT-UHFFFAOYSA-N	-1	0	320.378	0.730	20	30		DCEDRM
C#CCN1CCC[C@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)C1	ZINC001602720055	1169170171	/nfs/dbraw/zinc/17/01/71/1169170171.db2.gz	JKDGYPNJWLRVPI-LBPRGKRZSA-N	-1	0	314.407	0.258	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1	ZINC001602725324	1169172362	/nfs/dbraw/zinc/17/23/62/1169172362.db2.gz	AAWOZINLZHFDEV-NSHDSACASA-N	-1	0	311.334	0.472	20	30		DCEDRM
C#CCOCCC(=O)N(C)[C@@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001602727924	1169174172	/nfs/dbraw/zinc/17/41/72/1169174172.db2.gz	HIVGCGLCHMWOTM-NSHDSACASA-N	-1	0	320.349	0.474	20	30		DCEDRM
C#CCn1ccc(CN(CC)[C@@H]2CCN(CCC(=O)[O-])C2=O)n1	ZINC001602738353	1169176222	/nfs/dbraw/zinc/17/62/22/1169176222.db2.gz	WHRKOVMQWMATEL-CQSZACIVSA-N	-1	0	318.377	0.414	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c1	ZINC001602742131	1169176349	/nfs/dbraw/zinc/17/63/49/1169176349.db2.gz	FKTVPNZJPRAFJS-BJHJDKERSA-N	-1	0	300.314	0.928	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC001602749161	1169177474	/nfs/dbraw/zinc/17/74/74/1169177474.db2.gz	POCTUEQNNJTTIM-VHSXEESVSA-N	-1	0	304.368	0.234	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001602746496	1169177719	/nfs/dbraw/zinc/17/77/19/1169177719.db2.gz	CMGQLCMOLKQAHG-FVCCEPFGSA-N	-1	0	324.377	0.405	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1cnc2sccn2c1=O)C(=O)[O-]	ZINC001602754840	1169178887	/nfs/dbraw/zinc/17/88/87/1169178887.db2.gz	WXCFJAZYJKGEKO-VIFPVBQESA-N	-1	0	307.331	0.905	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001602764871	1169181385	/nfs/dbraw/zinc/18/13/85/1169181385.db2.gz	VMDJZPWZVSVJCN-NOOOWODRSA-N	-1	0	303.380	0.987	20	30		DCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC001602760650	1169182005	/nfs/dbraw/zinc/18/20/05/1169182005.db2.gz	CINNDGGNRIUQIP-GFCCVEGCSA-N	-1	0	322.283	0.887	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O	ZINC001602782520	1169183102	/nfs/dbraw/zinc/18/31/02/1169183102.db2.gz	NLRSJTPPRSDAIZ-GHMZBOCLSA-N	-1	0	318.395	0.242	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001602813301	1169185795	/nfs/dbraw/zinc/18/57/95/1169185795.db2.gz	VEIIWEBPACMAFU-NHYWBVRUSA-N	-1	0	320.349	0.197	20	30		DCEDRM
C=CC(C)(C)Cn1nnnc1N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001602809141	1169185982	/nfs/dbraw/zinc/18/59/82/1169185982.db2.gz	BPCVRIXEBBXTNK-NSHDSACASA-N	-1	0	309.370	0.547	20	30		DCEDRM
C=C[C@H](OC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1)C(=O)[O-]	ZINC001602819949	1169188709	/nfs/dbraw/zinc/18/87/09/1169188709.db2.gz	ATYCLVUZDIDTPE-AGIUHOORSA-N	-1	0	323.345	0.610	20	30		DCEDRM
C=C[C@H](OC(=O)Cc1cccc(OCC(=O)NC)c1)C(=O)[O-]	ZINC001602827664	1169190901	/nfs/dbraw/zinc/19/09/01/1169190901.db2.gz	OZYQEKYIRKUTMK-LBPRGKRZSA-N	-1	0	307.302	0.536	20	30		DCEDRM
C=CC[C@H](OC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-]	ZINC001602850456	1169192401	/nfs/dbraw/zinc/19/24/01/1169192401.db2.gz	VOQYENLPPBBNRM-LBPRGKRZSA-N	-1	0	302.290	0.908	20	30		DCEDRM
C=CC[C@H]1CCN1C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001602855203	1169192891	/nfs/dbraw/zinc/19/28/91/1169192891.db2.gz	JYNDYMQVWYKQLU-NSHDSACASA-N	-1	0	320.349	0.818	20	30		DCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001602860663	1169194698	/nfs/dbraw/zinc/19/46/98/1169194698.db2.gz	LEMMZHLVHMLIPJ-TUAOUCFPSA-N	-1	0	312.366	0.548	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C(=O)OC	ZINC001602865572	1169196801	/nfs/dbraw/zinc/19/68/01/1169196801.db2.gz	MPWMKHFJBUBJMR-WRWGMCAJSA-N	-1	0	313.350	0.879	20	30		DCEDRM
CC(=NNS(=O)(=O)C(C)C)c1cc(-c2nn[nH]n2)ccn1	ZINC001602908076	1169201385	/nfs/dbraw/zinc/20/13/85/1169201385.db2.gz	IFDXTJHRFCULHI-UHFFFAOYSA-N	-1	0	309.355	0.314	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c(C)nc(C(C)C)[nH]c1=O)C(=O)[O-]	ZINC001602908828	1169201917	/nfs/dbraw/zinc/20/19/17/1169201917.db2.gz	GLWSDFICXREMQA-SNVBAGLBSA-N	-1	0	323.349	1.000	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CC(c2ccccc2)=NO1)C(=O)[O-]	ZINC001602909903	1169203317	/nfs/dbraw/zinc/20/33/17/1169203317.db2.gz	LRJINRNLXOBNSG-UONOGXRCSA-N	-1	0	318.329	0.952	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001602925189	1169209477	/nfs/dbraw/zinc/20/94/77/1169209477.db2.gz	VUTKIMQVXHVRSV-SNVBAGLBSA-N	-1	0	302.352	0.060	20	30		DCEDRM
C=CCn1c([C@@H](O)C2CC2)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001602932808	1169211108	/nfs/dbraw/zinc/21/11/08/1169211108.db2.gz	STGGLLFYYKOPMB-XHDPSFHLSA-N	-1	0	322.365	0.587	20	30		DCEDRM
C=CCn1c(N2CCO[C@@H](CC(=O)[O-])C2)nnc1C(C)(C)C#N	ZINC001602937364	1169212822	/nfs/dbraw/zinc/21/28/22/1169212822.db2.gz	WYYWTRKXUJIQDY-NSHDSACASA-N	-1	0	319.365	0.945	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001602942258	1169215172	/nfs/dbraw/zinc/21/51/72/1169215172.db2.gz	XVGRFWQRNGIFSS-OZTPJHRESA-N	-1	0	310.350	0.463	20	30		DCEDRM
CC(=NN[C@H]1CCCS(=O)(=O)C1)c1cc(C(=O)[O-])co1	ZINC001602990780	1169227216	/nfs/dbraw/zinc/22/72/16/1169227216.db2.gz	GWOOMMGTRAWULI-JTQLQIEISA-N	-1	0	300.336	0.869	20	30		DCEDRM
CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@H]1c1cn(C)nc1Cl	ZINC001602995872	1169228349	/nfs/dbraw/zinc/22/83/49/1169228349.db2.gz	WGRMLZKNJHZCET-ZETCQYMHSA-N	-1	0	314.754	0.520	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1C[C@H](CNc2ccnc(C(=O)[O-])n2)C1	ZINC001603130363	1169250579	/nfs/dbraw/zinc/25/05/79/1169250579.db2.gz	VHXZRYZDHQFXGV-OPRDCNLKSA-N	-1	0	303.322	0.063	20	30		DCEDRM
C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccsc1)n1cnc(C#N)n1	ZINC001603153699	1169256691	/nfs/dbraw/zinc/25/66/91/1169256691.db2.gz	PFDIQQXIDFAXFO-XCBNKYQSSA-N	-1	0	305.319	0.714	20	30		DCEDRM
CC(C)C#CC(=O)NC/C=C/CNc1ncc(C(=O)[O-])cn1	ZINC001603700265	1169365340	/nfs/dbraw/zinc/36/53/40/1169365340.db2.gz	PBNGDJQXGSSUHB-ONEGZZNKSA-N	-1	0	302.334	0.919	20	30		DCEDRM
C[C@@]1(C#N)CCN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)C1	ZINC001603738313	1169374524	/nfs/dbraw/zinc/37/45/24/1169374524.db2.gz	ZKGFVWWNUPTPPL-NSHDSACASA-N	-1	0	324.391	0.852	20	30		DCEDRM
CC1(C)CC[C@@H](CNc2cnc(C#N)c(-c3nnn[n-]3)n2)O1	ZINC001603773289	1169387222	/nfs/dbraw/zinc/38/72/22/1169387222.db2.gz	XWXBJOHGKZEKOY-QMMMGPOBSA-N	-1	0	300.326	0.898	20	30		DCEDRM
C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)CC(C)(C)C#N)CC1	ZINC001604114092	1169498572	/nfs/dbraw/zinc/49/85/72/1169498572.db2.gz	BOUPUUDCWMXVQW-LLVKDONJSA-N	-1	0	317.411	0.347	20	30		DCEDRM
O=C(NCC#CCO)c1nn(-c2cccc(Cl)c2)cc1[O-]	ZINC001626173792	1169509007	/nfs/dbraw/zinc/50/90/07/1169509007.db2.gz	HRGVXGCWOQLTRT-UHFFFAOYSA-N	-1	0	305.721	0.957	20	30		DCEDRM
C[C@@](CO)(NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001604193013	1169520297	/nfs/dbraw/zinc/52/02/97/1169520297.db2.gz	BFXQGCHGTSNAGH-AWEZNQCLSA-N	-1	0	308.359	0.743	20	30		DCEDRM
C[C@@H](OC(=O)c1ccncc1C(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001604416925	1169588520	/nfs/dbraw/zinc/58/85/20/1169588520.db2.gz	XVZJYQRRHDAFNW-SECBINFHSA-N	-1	0	317.301	0.888	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1	ZINC001604492133	1169603605	/nfs/dbraw/zinc/60/36/05/1169603605.db2.gz	FICMIAPZLQMTFV-FIXISWKDSA-N	-1	0	307.350	0.508	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC001604626414	1169635292	/nfs/dbraw/zinc/63/52/92/1169635292.db2.gz	MCVHVVLNGOVDPE-PRHODGIISA-N	-1	0	319.292	0.957	20	30		DCEDRM
C[C@H]1[C@@H](Nc2ccnc(C(=O)[O-])n2)CCN1C(=O)C#CC1CC1	ZINC001604647329	1169641370	/nfs/dbraw/zinc/64/13/70/1169641370.db2.gz	XCBUJXKIESAWLT-JQWIXIFHSA-N	-1	0	314.345	0.411	20	30		DCEDRM
C[C@@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C[C@H](C)N1CC#N	ZINC001604774996	1169677492	/nfs/dbraw/zinc/67/74/92/1169677492.db2.gz	DJBOPJRTMXJOLO-YVECIDJPSA-N	-1	0	324.381	0.104	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)CN1C[C@H](C)N(CC#N)[C@@H](C)C1)C(=O)[O-]	ZINC001604929282	1169749520	/nfs/dbraw/zinc/74/95/20/1169749520.db2.gz	VJKXOTHDSXKOOA-ABHRYQDASA-N	-1	0	324.425	0.520	20	30		DCEDRM
COC(=O)C[C@@H](C)Sc1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001604932073	1169751864	/nfs/dbraw/zinc/75/18/64/1169751864.db2.gz	PNNRWMWRWFDUFV-ZCFIWIBFSA-N	-1	0	305.323	0.572	20	30		DCEDRM
CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C#N)cc1-c1nnn[n-]1	ZINC001605380019	1169908783	/nfs/dbraw/zinc/90/87/83/1169908783.db2.gz	AEMUIDYEXROYQM-YFKPBYRVSA-N	-1	0	305.323	0.331	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1cccnc1[N+](=O)[O-]	ZINC001606017698	1170050429	/nfs/dbraw/zinc/05/04/29/1170050429.db2.gz	MECGPFQJTINXKN-UHFFFAOYSA-N	-1	0	311.265	0.595	20	30		DCEDRM
CN([C@@]1(C#N)CCOC1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001606072145	1170069955	/nfs/dbraw/zinc/06/99/55/1170069955.db2.gz	KKUMRCORKWWLQN-CQSZACIVSA-N	-1	0	324.358	0.829	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC001606105440	1170078197	/nfs/dbraw/zinc/07/81/97/1170078197.db2.gz	KCWPCHSRMUOUMM-ZDUSSCGKSA-N	-1	0	323.374	0.266	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CC(O)(CC#N)C1	ZINC001606345397	1170165242	/nfs/dbraw/zinc/16/52/42/1170165242.db2.gz	YDISZTVCGTUCGZ-LBPRGKRZSA-N	-1	0	304.302	0.559	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(C#N)cn2C)C1	ZINC001606391406	1170181215	/nfs/dbraw/zinc/18/12/15/1170181215.db2.gz	HMCWNVYYVTUQOD-QWRGUYRKSA-N	-1	0	319.317	0.375	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)Nc2cccc(C#N)n2)C[C@@H]1C(=O)[O-]	ZINC001606421808	1170194015	/nfs/dbraw/zinc/19/40/15/1170194015.db2.gz	LGYRQTUSJPRKQK-VHSXEESVSA-N	-1	0	318.289	0.291	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)C[C@@H]1C(=O)[O-]	ZINC001606431291	1170198655	/nfs/dbraw/zinc/19/86/55/1170198655.db2.gz	JJBUVXZYDKYWTC-WDEREUQCSA-N	-1	0	319.273	0.776	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC001606453747	1170209249	/nfs/dbraw/zinc/20/92/49/1170209249.db2.gz	HKMBVFBCQPPGCR-UHFFFAOYSA-N	-1	0	307.306	0.859	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001606453964	1170209254	/nfs/dbraw/zinc/20/92/54/1170209254.db2.gz	OIMSXNHQRHZSSI-WDEREUQCSA-N	-1	0	312.322	0.172	20	30		DCEDRM
COC(=O)[C@@H]1CO[C@H](CCC(=O)N(CC#N)CCC(=O)[O-])C1	ZINC001606511081	1170224285	/nfs/dbraw/zinc/22/42/85/1170224285.db2.gz	MRWUFSYUDMJSIL-WDEREUQCSA-N	-1	0	312.322	0.172	20	30		DCEDRM
COC(=O)c1ccc(CC(=O)N(CC#N)CCC(=O)[O-])cn1	ZINC001606586635	1170237281	/nfs/dbraw/zinc/23/72/81/1170237281.db2.gz	ISXKSDMKWRMLHU-UHFFFAOYSA-N	-1	0	305.290	0.238	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)C1	ZINC001606706717	1170269102	/nfs/dbraw/zinc/26/91/02/1170269102.db2.gz	RXEDZTUSIZJVCH-CQSZACIVSA-N	-1	0	324.358	0.731	20	30		DCEDRM
CO[C@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)[C@H](C(=O)[O-])C1	ZINC001606751772	1170277862	/nfs/dbraw/zinc/27/78/62/1170277862.db2.gz	ZSHSGQJNHGDHFH-STQMWFEESA-N	-1	0	304.302	0.968	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cccnc1C#N	ZINC001606786072	1170289423	/nfs/dbraw/zinc/28/94/23/1170289423.db2.gz	HSBOEYHUCWBPLA-GFCCVEGCSA-N	-1	0	313.335	0.111	20	30		DCEDRM
COCCN(CC(=O)NCC(=O)[O-])Cc1ccc(C#N)cc1	ZINC001606881427	1170322104	/nfs/dbraw/zinc/32/21/04/1170322104.db2.gz	WQXSRXKCYHSPKD-UHFFFAOYSA-N	-1	0	305.334	0.207	20	30		DCEDRM
COCCn1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001606931490	1170332390	/nfs/dbraw/zinc/33/23/90/1170332390.db2.gz	MIAHEEXETOKLGO-UHFFFAOYSA-N	-1	0	306.322	0.360	20	30		DCEDRM
COc1cc(S(=O)(=O)N(CC#N)CC(=O)[O-])ccc1Cl	ZINC001607189413	1170413144	/nfs/dbraw/zinc/41/31/44/1170413144.db2.gz	RWWSUGBRAHXZBB-UHFFFAOYSA-N	-1	0	318.738	0.947	20	30		DCEDRM
COc1ccc(NC(=O)C(=O)NCC(C)(C)C#N)c(C(=O)[O-])c1	ZINC001607270556	1170421694	/nfs/dbraw/zinc/42/16/94/1170421694.db2.gz	MATBPINMHIFQFJ-UHFFFAOYSA-N	-1	0	319.317	0.998	20	30		DCEDRM
CS(=O)(=O)[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1	ZINC001607367214	1170438175	/nfs/dbraw/zinc/43/81/75/1170438175.db2.gz	KQTOXUWPKWBSKV-LLVKDONJSA-N	-1	0	308.359	0.875	20	30		DCEDRM
Cc1cc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])ncc1C#N	ZINC001607575770	1170478615	/nfs/dbraw/zinc/47/86/15/1170478615.db2.gz	KULQDCKCZWXDKT-NSHDSACASA-N	-1	0	305.290	0.208	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c(C#N)c1	ZINC001607819538	1170509331	/nfs/dbraw/zinc/50/93/31/1170509331.db2.gz	VDZWDRFZVGGFHZ-PWSUYJOCSA-N	-1	0	324.358	0.729	20	30		DCEDRM
Cc1onc2c1c(C(=O)[O-])nn(CN1CC[C@@](C)(C#N)C1)c2=O	ZINC001608058159	1170562440	/nfs/dbraw/zinc/56/24/40/1170562440.db2.gz	HPLDLWBAEMFWDW-AWEZNQCLSA-N	-1	0	317.305	0.584	20	30		DCEDRM
Cn1nc(C(=O)N(CC#N)CCC(=O)[O-])c2ccccc2c1=O	ZINC001608140396	1170593445	/nfs/dbraw/zinc/59/34/45/1170593445.db2.gz	UCALPTBQDFHVSP-UHFFFAOYSA-N	-1	0	314.301	0.374	20	30		DCEDRM
N#C[C@@]1(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)CCCOC1	ZINC001608172594	1170609129	/nfs/dbraw/zinc/60/91/29/1170609129.db2.gz	ZAEZJOQJIYFQBT-BMIGLBTASA-N	-1	0	318.333	0.853	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)c2ccoc2CC(N)=O)CC1	ZINC001608172147	1170609205	/nfs/dbraw/zinc/60/92/05/1170609205.db2.gz	DDRCGZHKKCDXMX-UHFFFAOYSA-N	-1	0	305.290	0.138	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)c2cscn2)CC1	ZINC001608173798	1170609462	/nfs/dbraw/zinc/60/94/62/1170609462.db2.gz	BPCMLMGWBUVQNF-UHFFFAOYSA-N	-1	0	301.349	0.522	20	30		DCEDRM
N#CC1(C(=O)N2CCN(c3ccc(C(=O)[O-])nn3)CC2)CCC1	ZINC001608172611	1170609526	/nfs/dbraw/zinc/60/95/26/1170609526.db2.gz	ZIJFZHOWRKZNCM-UHFFFAOYSA-N	-1	0	315.333	0.517	20	30		DCEDRM
N#CC1(CC(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])CCOCC1	ZINC001608176489	1170610667	/nfs/dbraw/zinc/61/06/67/1170610667.db2.gz	ZNTSGZQULFQBTP-VXGBXAGGSA-N	-1	0	310.350	0.835	20	30		DCEDRM
N#CC1(NC(=O)COC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CCC1	ZINC001608177195	1170610710	/nfs/dbraw/zinc/61/07/10/1170610710.db2.gz	NNDWBBBOKDHVIN-WDEREUQCSA-N	-1	0	308.334	0.983	20	30		DCEDRM
N#CCCCNC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001608181205	1170610742	/nfs/dbraw/zinc/61/07/42/1170610742.db2.gz	DSBKNCWLZDAOBU-JTQLQIEISA-N	-1	0	306.326	0.627	20	30		DCEDRM
N#Cc1ccc(C(=O)OCCCc2cn(CC(=O)[O-])nn2)o1	ZINC001608199462	1170614137	/nfs/dbraw/zinc/61/41/37/1170614137.db2.gz	IABGKVNVNJKTGP-UHFFFAOYSA-N	-1	0	304.262	0.617	20	30		DCEDRM
N#Cc1ccc(F)cc1CN1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001608206428	1170614637	/nfs/dbraw/zinc/61/46/37/1170614637.db2.gz	GHEVJRKIJHCLMW-KBPBESRZSA-N	-1	0	317.320	0.718	20	30		DCEDRM
N#Cc1ccc(F)cc1CN1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001608206448	1170614979	/nfs/dbraw/zinc/61/49/79/1170614979.db2.gz	GHEVJRKIJHCLMW-ZIAGYGMSSA-N	-1	0	317.320	0.718	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@@H](O)CC(=O)[O-])cc1	ZINC001608205561	1170615042	/nfs/dbraw/zinc/61/50/42/1170615042.db2.gz	HTFVBPSJZCHCMP-KBPBESRZSA-N	-1	0	317.345	0.479	20	30		DCEDRM
N#Cc1ccc([C@H](C(N)=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1	ZINC001608202698	1170615440	/nfs/dbraw/zinc/61/54/40/1170615440.db2.gz	VPXLZGFDZCSQKS-CYBMUJFWSA-N	-1	0	312.329	0.775	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC[C@@H](O)C2CC2)c(C(=O)[O-])c1	ZINC001608211760	1170616253	/nfs/dbraw/zinc/61/62/53/1170616253.db2.gz	IIYQRVHINILACC-GFCCVEGCSA-N	-1	0	324.358	0.696	20	30		DCEDRM
N#Cc1cccc(OCC(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)c1	ZINC001608217937	1170617127	/nfs/dbraw/zinc/61/71/27/1170617127.db2.gz	AIYYTOPDZKDRBZ-JSGCOSHPSA-N	-1	0	318.329	0.791	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])n1	ZINC001608214503	1170617283	/nfs/dbraw/zinc/61/72/83/1170617283.db2.gz	BLRFXPBUNCMESC-ZDUSSCGKSA-N	-1	0	303.318	0.953	20	30		DCEDRM
N#Cc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1	ZINC001608217299	1170617444	/nfs/dbraw/zinc/61/74/44/1170617444.db2.gz	XFZPFCZDHNBEFP-GFCCVEGCSA-N	-1	0	316.317	0.755	20	30		DCEDRM
N#Cc1ccncc1N1CCN(Cn2cc(C(=O)[O-])nn2)CC1	ZINC001608220538	1170618323	/nfs/dbraw/zinc/61/83/23/1170618323.db2.gz	CFHWMNMPJFERAH-UHFFFAOYSA-N	-1	0	313.321	0.023	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CC[C@H](NC(=O)NC2CC2)C1	ZINC001608224332	1170619472	/nfs/dbraw/zinc/61/94/72/1170619472.db2.gz	VSMSREHNRVOROS-JTQLQIEISA-N	-1	0	315.333	0.692	20	30		DCEDRM
O=C([O-])[C@@]1(CNC(=O)c2cccc(C#CCO)c2)CCOC1	ZINC001608429773	1170676808	/nfs/dbraw/zinc/67/68/08/1170676808.db2.gz	HJESTJDPQVJKDZ-MRXNPFEDSA-N	-1	0	303.314	0.252	20	30		DCEDRM
O=C([O-])c1nccc(N2CCCN(C(=O)C#CC3CC3)CC2)n1	ZINC001608998101	1170782648	/nfs/dbraw/zinc/78/26/48/1170782648.db2.gz	ZBHZDWGWYSIIBV-UHFFFAOYSA-N	-1	0	314.345	0.627	20	30		DCEDRM
C#CCN(C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1)C1CC1	ZINC001609137402	1170825433	/nfs/dbraw/zinc/82/54/33/1170825433.db2.gz	RJFQPBIQMJWJRU-UHFFFAOYSA-N	-1	0	316.313	0.713	20	30		DCEDRM
CCC1=C(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCCO1	ZINC001609199082	1170862345	/nfs/dbraw/zinc/86/23/45/1170862345.db2.gz	OGNVRIKPASOAAD-UHFFFAOYSA-N	-1	0	314.309	0.874	20	30		DCEDRM
CCN(CCC#N)C(=O)COc1ccc(F)nc1-c1nnn[n-]1	ZINC001609224020	1170877663	/nfs/dbraw/zinc/87/76/63/1170877663.db2.gz	ZPDUBXVNIGUKMF-UHFFFAOYSA-N	-1	0	319.300	0.542	20	30		DCEDRM
COC(=O)c1ccccc1Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC001609305495	1170925744	/nfs/dbraw/zinc/92/57/44/1170925744.db2.gz	MFCGUEQOCCIRFJ-UHFFFAOYSA-N	-1	0	324.304	0.352	20	30		DCEDRM
COCC(C)(C)CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001609316160	1170932437	/nfs/dbraw/zinc/93/24/37/1170932437.db2.gz	IQQGSLAWXCJPRN-UHFFFAOYSA-N	-1	0	304.314	0.463	20	30		DCEDRM
C=CCN(Cc1cc(C(=O)[O-])n(C)c1)[C@@H]1CCS(=O)(=O)C1	ZINC001609371572	1170952851	/nfs/dbraw/zinc/95/28/51/1170952851.db2.gz	LGERKPVFKZOMMT-GFCCVEGCSA-N	-1	0	312.391	0.898	20	30		DCEDRM
C=CCOC[C@@H](NCc1cnc(C2OCCO2)s1)C(=O)[O-]	ZINC001609452295	1170983250	/nfs/dbraw/zinc/98/32/50/1170983250.db2.gz	GGBOJVZGJKBDKA-SNVBAGLBSA-N	-1	0	314.363	0.934	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC001609630807	1171055756	/nfs/dbraw/zinc/05/57/56/1171055756.db2.gz	FPZDCSHFTGCYPI-RYUDHWBXSA-N	-1	0	323.393	0.954	20	30		DCEDRM
C[C@@H](C(=O)NCc1ccccc1CC(=O)[O-])n1cnc(C#N)n1	ZINC001609636051	1171058108	/nfs/dbraw/zinc/05/81/08/1171058108.db2.gz	MMFLFRCEIAIIJS-JTQLQIEISA-N	-1	0	313.317	0.654	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccncc1C(=O)[O-]	ZINC001609684176	1171066392	/nfs/dbraw/zinc/06/63/92/1171066392.db2.gz	XXBFNKITRLRZDA-OAHLLOKOSA-N	-1	0	319.317	0.991	20	30		DCEDRM
CC(CCC(=O)[O-])=NNC(=S)NCCN1CCOCC1	ZINC001609737870	1171076400	/nfs/dbraw/zinc/07/64/00/1171076400.db2.gz	LOGNUUSMHHYNFX-UHFFFAOYSA-N	-1	0	302.400	0.023	20	30		DCEDRM
C[C@@](O)(CN1CCN(c2oc(C3CC3)nc2C#N)CC1)C(=O)[O-]	ZINC001609783903	1171083119	/nfs/dbraw/zinc/08/31/19/1171083119.db2.gz	HPZRRZZJZWLFNC-OAHLLOKOSA-N	-1	0	320.349	0.381	20	30		DCEDRM
C[C@@H](O)C(=O)N1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC001609787507	1171085686	/nfs/dbraw/zinc/08/56/86/1171085686.db2.gz	DHNTZEYXYJWSAV-RISCZKNCSA-N	-1	0	317.345	0.209	20	30		DCEDRM
CCn1ncn(N=Cc2c(C)nn(CCC(=O)[O-])c2C)c1=O	ZINC001610085946	1171152089	/nfs/dbraw/zinc/15/20/89/1171152089.db2.gz	KWWPIZVOJVDASO-UHFFFAOYSA-N	-1	0	306.326	0.235	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001610432550	1171235403	/nfs/dbraw/zinc/23/54/03/1171235403.db2.gz	IEGUFSFJVCOMNS-UHFFFAOYSA-N	-1	0	311.301	0.854	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCO[C@H](C#N)C2)c(C(=O)[O-])c1	ZINC001610512719	1171245782	/nfs/dbraw/zinc/24/57/82/1171245782.db2.gz	PIFRNKHWWHPGME-SNVBAGLBSA-N	-1	0	310.331	0.606	20	30		DCEDRM
N#Cc1cc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)ccn1	ZINC001610625595	1171271387	/nfs/dbraw/zinc/27/13/87/1171271387.db2.gz	SYMFYUAVQGLRRU-LLVKDONJSA-N	-1	0	312.289	0.330	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cc1	ZINC001610624396	1171271507	/nfs/dbraw/zinc/27/15/07/1171271507.db2.gz	NVXXXWPZFKVTTD-QWHCGFSZSA-N	-1	0	324.358	0.351	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)CN2CCOCC2)C(=O)[O-])c1	ZINC001610631827	1171272466	/nfs/dbraw/zinc/27/24/66/1171272466.db2.gz	KCORWHHJLKITRE-AWEZNQCLSA-N	-1	0	304.302	0.559	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cc1	ZINC001610627478	1171272712	/nfs/dbraw/zinc/27/27/12/1171272712.db2.gz	IOBCMDDFOURBLU-XQQFMLRXSA-N	-1	0	304.302	0.028	20	30		DCEDRM
N#Cc1cn(C2CN(c3ccc4nccnc4n3)C2)c(=O)[n-]c1=O	ZINC001612618672	1171363406	/nfs/dbraw/zinc/36/34/06/1171363406.db2.gz	GVCAGZOGZODKDN-UHFFFAOYSA-N	-1	0	321.300	0.220	20	30		DCEDRM
C=C(C)COCCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001622717731	1171429549	/nfs/dbraw/zinc/42/95/49/1171429549.db2.gz	QVLYQTUVNURGCD-UHFFFAOYSA-N	-1	0	318.333	0.589	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1	ZINC001628286832	1171523045	/nfs/dbraw/zinc/52/30/45/1171523045.db2.gz	DNDSRARMNASRAO-GDLCADMTSA-N	-1	0	305.334	0.602	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)CSCC#N)cc1C(N)=O	ZINC000042346239	1171525025	/nfs/dbraw/zinc/52/50/25/1171525025.db2.gz	FKMQOEYDXNBSAY-UHFFFAOYSA-N	-1	0	316.364	0.026	20	30		DCEDRM
C#C[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC001630914431	1171585338	/nfs/dbraw/zinc/58/53/38/1171585338.db2.gz	OUPPWKATJMXXNY-CQSZACIVSA-N	-1	0	322.324	0.701	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC001631897246	1171604858	/nfs/dbraw/zinc/60/48/58/1171604858.db2.gz	NEPMXODSTNDVBT-UHFFFAOYSA-N	-1	0	309.347	0.460	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1	ZINC001635640289	1171709707	/nfs/dbraw/zinc/70/97/07/1171709707.db2.gz	DOEXNQYBUBIQMR-LLVKDONJSA-N	-1	0	306.322	0.411	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)c1cc(S(=O)(=O)CC)c[nH]c1=O	ZINC001639677846	1171845912	/nfs/dbraw/zinc/84/59/12/1171845912.db2.gz	FXLQCHREEPLNFU-QMMMGPOBSA-N	-1	0	300.336	0.817	20	30		DCEDRM
COc1c(C(=O)[N-]Oc2cccc(C#N)c2)[nH]c(=O)[nH]c1=O	ZINC001642628795	1171952802	/nfs/dbraw/zinc/95/28/02/1171952802.db2.gz	UQHLLXOFJNSVDO-UHFFFAOYSA-N	-1	0	302.246	0.492	20	30		DCEDRM
C=C(Br)CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001646047079	1172231415	/nfs/dbraw/zinc/23/14/15/1172231415.db2.gz	HBIXDPDCHXUZCC-GFCCVEGCSA-N	-1	0	319.199	0.756	20	30		DCEDRM
COc1ccc(CN(C)c2[n-]c(=O)n(C)c(=O)c2C#N)cc1F	ZINC001646631227	1172448603	/nfs/dbraw/zinc/44/86/03/1172448603.db2.gz	RVGVFZHVUODDAC-UHFFFAOYSA-N	-1	0	318.308	0.729	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)C1(F)CCOCC1	ZINC001647336596	1172822749	/nfs/dbraw/zinc/82/27/49/1172822749.db2.gz	BPIBXWDHGUYFBE-UHFFFAOYSA-N	-1	0	312.322	0.882	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC3(CCCCO3)CC2)c(C#N)c1=O	ZINC001647629898	1173006658	/nfs/dbraw/zinc/00/66/58/1173006658.db2.gz	LJQYBNKMBBWTNK-UHFFFAOYSA-N	-1	0	304.350	0.485	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)CC[C@H]3CCOC3)C2)c(=O)[n-]c1=O	ZINC001649931144	1173317090	/nfs/dbraw/zinc/31/70/90/1173317090.db2.gz	LFSWBJFNJZRMOT-JTQLQIEISA-N	-1	0	318.333	0.021	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](C2CCC2)[C@@H]2CCCO2)c(C#N)c1=O	ZINC001650230491	1173525551	/nfs/dbraw/zinc/52/55/51/1173525551.db2.gz	BTZHNYWSLPGTSV-NWDGAFQWSA-N	-1	0	304.350	0.705	20	30		DCEDRM
COCCOc1ccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001651367758	1173746986	/nfs/dbraw/zinc/74/69/86/1173746986.db2.gz	KQEYNXPNJAILLN-UHFFFAOYSA-N	-1	0	316.317	0.714	20	30		DCEDRM
C=CCCC[C@@H](C)NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001654743542	1173811444	/nfs/dbraw/zinc/81/14/44/1173811444.db2.gz	OXOYSHOTYFCOTL-SECBINFHSA-N	-1	0	301.368	0.509	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cn(-c3ccccc3)nn2)c(C#N)c1=O	ZINC001655240992	1173816829	/nfs/dbraw/zinc/81/68/29/1173816829.db2.gz	ICOQSXBWOMYKHM-UHFFFAOYSA-N	-1	0	323.316	0.138	20	30		DCEDRM
C=CCCCC(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CCCC1	ZINC001666782574	1174635518	/nfs/dbraw/zinc/63/55/18/1174635518.db2.gz	OCKBWMOFPKWPPX-UHFFFAOYSA-N	-1	0	321.425	0.983	20	30		DCEDRM
C=CCCCC(=O)N[C@@H](C)C[NH2+]Cc1cc(=O)n2[n-]ccc2n1	ZINC001669653350	1174941326	/nfs/dbraw/zinc/94/13/26/1174941326.db2.gz	PJADGQIJTDWCKM-LBPRGKRZSA-N	-1	0	317.393	0.973	20	30		DCEDRM
CC(C)N(CCN(C)CC#N)C(=O)c1c[n-]n2c1nccc2=O	ZINC001677215536	1175547609	/nfs/dbraw/zinc/54/76/09/1175547609.db2.gz	QSIOEEJAGQJVJC-UHFFFAOYSA-N	-1	0	316.365	0.329	20	30		DCEDRM
COCCN(CCNC(=O)C#CC(C)(C)C)Cc1n[nH]c(=O)[n-]1	ZINC001677313048	1175556275	/nfs/dbraw/zinc/55/62/75/1175556275.db2.gz	GSADFBLTSKLTMK-UHFFFAOYSA-N	-1	0	323.397	0.124	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001680524025	1175830554	/nfs/dbraw/zinc/83/05/54/1175830554.db2.gz	RNLXOLSDSUHKHA-KOLCDFICSA-N	-1	0	322.365	0.346	20	30		DCEDRM
C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)c2cnc[nH]c2=O)C1	ZINC001699916004	1178375636	/nfs/dbraw/zinc/37/56/36/1178375636.db2.gz	LHATWJTWGHPCLW-NSHDSACASA-N	-1	0	306.366	0.313	20	30		DCEDRM
CN(CC#N)C[C@@H]1CCCN1C(=O)c1c[n-]n2c1nccc2=O	ZINC001700358982	1178594349	/nfs/dbraw/zinc/59/43/49/1178594349.db2.gz	DMIWOJWXHDWCQO-NSHDSACASA-N	-1	0	314.349	0.083	20	30		DCEDRM
C=C[C@@H](C)[C@H](C)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001721336139	1183896751	/nfs/dbraw/zinc/89/67/51/1183896751.db2.gz	IVJIVROXSCYCHI-BDAKNGLRSA-N	-1	0	306.366	0.823	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC(OCCCNCC#N)CC2)c1[O-]	ZINC001734081660	1186542297	/nfs/dbraw/zinc/54/22/97/1186542297.db2.gz	GLALLCLXWZQRPX-UHFFFAOYSA-N	-1	0	321.381	0.548	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001736066047	1186975753	/nfs/dbraw/zinc/97/57/53/1186975753.db2.gz	QVUCKXGNVIVPAZ-TXEJJXNPSA-N	-1	0	318.377	0.708	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)C(=O)[O-]	ZINC000274982250	1187189855	/nfs/dbraw/zinc/18/98/55/1187189855.db2.gz	JTACDPXGDVDGJO-QMMMGPOBSA-N	-1	0	322.264	0.855	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCN(C(=O)[C@@H](C)C#N)C2CC2)c1[O-]	ZINC001737307147	1187307912	/nfs/dbraw/zinc/30/79/12/1187307912.db2.gz	WRMVSVHBTKVKRA-VIFPVBQESA-N	-1	0	319.365	0.694	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001737450104	1187338007	/nfs/dbraw/zinc/33/80/07/1187338007.db2.gz	ZXVGVKBUGVEKQF-IQMDTDKHSA-N	-1	0	322.365	0.128	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001738115844	1187477471	/nfs/dbraw/zinc/47/74/71/1187477471.db2.gz	OYRKTNQPWIAJRJ-BMIGLBTASA-N	-1	0	324.381	0.375	20	30		DCEDRM
C=CC(C)(C)C(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001759560432	1190210478	/nfs/dbraw/zinc/21/04/78/1190210478.db2.gz	QKYYMJGCJTYBMP-UHFFFAOYSA-N	-1	0	323.353	0.025	20	30		DCEDRM
C=CCCOCC(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001759848404	1190317032	/nfs/dbraw/zinc/31/70/32/1190317032.db2.gz	SXZZCKYKPQTXSC-LLVKDONJSA-N	-1	0	322.365	0.347	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)C#CC(C)(C)C)C2)c1[O-]	ZINC001759957374	1190347192	/nfs/dbraw/zinc/34/71/92/1190347192.db2.gz	AXMFELJFXICBBO-UHFFFAOYSA-N	-1	0	318.377	0.756	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H](C)Nc2cnc(C#N)cn2)c1[O-]	ZINC001115671506	751952709	/nfs/dbraw/zinc/95/27/09/751952709.db2.gz	PFAKEAXUMFXPRC-QMMMGPOBSA-N	-1	0	315.337	0.658	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCN(C)c2nccnc2C#N)c1[O-]	ZINC001105362069	747156891	/nfs/dbraw/zinc/15/68/91/747156891.db2.gz	ZVWTZVNUUHLOGG-UHFFFAOYSA-N	-1	0	315.337	0.294	20	30		DCEDRM
C#C[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C1CCOCC1	ZINC001167413902	747169542	/nfs/dbraw/zinc/16/95/42/747169542.db2.gz	MWZQKRCRPJNDHZ-LLVKDONJSA-N	-1	0	308.338	0.014	20	30		DCEDRM
C#CC[N@H+]1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@H]1C	ZINC001088713583	749947455	/nfs/dbraw/zinc/94/74/55/749947455.db2.gz	WMOPVOYOZXFMMH-HIFRSBDPSA-N	-1	0	318.421	0.587	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)Nc2ccc(C#N)nn2)c1[O-]	ZINC001112990689	762074113	/nfs/dbraw/zinc/07/41/13/762074113.db2.gz	JQAIAQZMRDMNKO-JGVFFNPUSA-N	-1	0	315.337	0.704	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)Nc2ccnc(C#N)n2)c1[O-]	ZINC001112990492	762074418	/nfs/dbraw/zinc/07/44/18/762074418.db2.gz	GOQQCHUZMPNDPV-HTQZYQBOSA-N	-1	0	315.337	0.126	20	30		DCEDRM
C[C@@H]1C[C@H](NCC#N)CCN1C(=O)c1c[n-]n2c1nccc2=O	ZINC001044766618	752862840	/nfs/dbraw/zinc/86/28/40/752862840.db2.gz	DKLQJFGQOSRFAG-GHMZBOCLSA-N	-1	0	314.349	0.129	20	30		DCEDRM
O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001045773979	753326925	/nfs/dbraw/zinc/32/69/25/753326925.db2.gz	HLMQHCNLDVTREO-OLZOCXBDSA-N	-1	0	315.377	0.489	20	30		DCEDRM
C#CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1Cc1cccs1	ZINC001123024165	767916030	/nfs/dbraw/zinc/91/60/30/767916030.db2.gz	PMMMNFVVTSANFE-UHFFFAOYSA-N	-1	0	314.374	0.681	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C=Cc2ccsc2)c(=O)[n-]c1=O	ZINC001148392637	767970879	/nfs/dbraw/zinc/97/08/79/767970879.db2.gz	CIAUMAIWEXZGGC-OWOJBTEDSA-N	-1	0	316.342	0.712	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NCC2CC(NCC#N)C2)cc1=O	ZINC001100482404	763606144	/nfs/dbraw/zinc/60/61/44/763606144.db2.gz	FXFKGQJULHNCPU-UHFFFAOYSA-N	-1	0	319.409	0.383	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)N(CC)c1ccccc1	ZINC001116764997	765907516	/nfs/dbraw/zinc/90/75/16/765907516.db2.gz	FYRZNCWPCQTLGD-UHFFFAOYSA-N	-1	0	310.375	0.914	20	30		DCEDRM
N#Cc1cccc(-c2cc(C(=O)NCc3nc(=O)o[n-]3)on2)c1	ZINC001116859651	765920264	/nfs/dbraw/zinc/92/02/64/765920264.db2.gz	ONLQVYLJXTYAIB-UHFFFAOYSA-N	-1	0	311.257	0.820	20	30		DCEDRM
C[C@H](C[C@@H](C)NC(=O)c1ccc2oc(=O)nc-2[n-]1)NCC#N	ZINC001135934234	766175555	/nfs/dbraw/zinc/17/55/55/766175555.db2.gz	FHRRNQOXLBXFTB-RKDXNWHRSA-N	-1	0	303.322	0.938	20	30		DCEDRM
CC(C)(CC(=O)NCCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001119070644	766526119	/nfs/dbraw/zinc/52/61/19/766526119.db2.gz	GLQXGDJCVJMPHX-QXMHVHEDSA-N	-1	0	309.322	0.130	20	30		DCEDRM
C=CCN(CC(=O)[O-])Cc1c(C)nn(C)c1N1CCOCC1	ZINC001119535200	766717772	/nfs/dbraw/zinc/71/77/72/766717772.db2.gz	XCKSFPXOXDUEIM-UHFFFAOYSA-N	-1	0	308.382	0.638	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)Cc1ccco1	ZINC001121663664	767616285	/nfs/dbraw/zinc/61/62/85/767616285.db2.gz	WOPNHZJRYAIRJD-UHFFFAOYSA-N	-1	0	300.322	0.918	20	30		DCEDRM
CC(C)C#CC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001147506295	767763854	/nfs/dbraw/zinc/76/38/54/767763854.db2.gz	FSGPAMMNKMSYGP-UHFFFAOYSA-N	-1	0	303.366	0.204	20	30		DCEDRM
CCn1nc(C2CC2)cc1C([O-])=C(C#N)C(=O)NCCOC	ZINC001122448070	767806610	/nfs/dbraw/zinc/80/66/10/767806610.db2.gz	JOBMWFQOQCJIEG-LLVKDONJSA-N	-1	0	304.350	0.865	20	30		DCEDRM
C#C[C@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C(C)C	ZINC001139438150	768475866	/nfs/dbraw/zinc/47/58/66/768475866.db2.gz	KEKRLKWMDICOGN-LBPRGKRZSA-N	-1	0	300.318	0.654	20	30		DCEDRM
Nc1nonc1C(=N[O-])Nc1ccc(CN2CCOCC2)cc1	ZINC001174444108	769753909	/nfs/dbraw/zinc/75/39/09/769753909.db2.gz	UTKOTFFNODBEJD-UHFFFAOYSA-N	-1	0	318.337	0.732	20	30		DCEDRM
N#Cc1nc(Cl)c(Nc2cnn(CC(=O)[O-])c2)nc1C#N	ZINC001176266189	770067592	/nfs/dbraw/zinc/06/75/92/770067592.db2.gz	ATPFXGCZAKONMQ-UHFFFAOYSA-N	-1	0	303.669	0.898	20	30		DCEDRM
C=CC[C@@](C)(NC(=O)c1ccn(C)c1CC(=O)[O-])C(=O)OC	ZINC001177370940	770418464	/nfs/dbraw/zinc/41/84/64/770418464.db2.gz	JWNDPYPMUJTYNV-OAHLLOKOSA-N	-1	0	308.334	0.890	20	30		DCEDRM
[NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)CC(F)F	ZINC001182969082	771582463	/nfs/dbraw/zinc/58/24/63/771582463.db2.gz	PXYNRWNMVYJCAU-QMMMGPOBSA-N	-1	0	322.270	0.184	20	30		DCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NCCN1CCCS1(=O)=O	ZINC001184247585	771763064	/nfs/dbraw/zinc/76/30/64/771763064.db2.gz	VPNMEVASSACUHS-UHFFFAOYSA-N	-1	0	311.383	0.188	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2ccc3ccc(=O)oc3c2)c(C#N)c1=O	ZINC001184555404	771798426	/nfs/dbraw/zinc/79/84/26/771798426.db2.gz	HCOKJQNPJIXHBU-UHFFFAOYSA-N	-1	0	311.253	0.844	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nc(OC)cc(OC)n1	ZINC001158965299	771839881	/nfs/dbraw/zinc/83/98/81/771839881.db2.gz	OIQMASZFXQNRJO-UHFFFAOYSA-N	-1	0	304.266	0.920	20	30		DCEDRM
CCOC(=O)c1sc(S(=O)(=O)[N-]CCC#N)nc1C	ZINC001184914041	771843820	/nfs/dbraw/zinc/84/38/20/771843820.db2.gz	IFIJLGHSKRSPFZ-UHFFFAOYSA-N	-1	0	303.365	0.820	20	30		DCEDRM
CC[C@](C)(C#N)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001185623219	771942704	/nfs/dbraw/zinc/94/27/04/771942704.db2.gz	BSXWSEDWEMBCHC-GFCCVEGCSA-N	-1	0	306.351	0.837	20	30		DCEDRM
COc1ccnc(C(N)=NC(=O)c2ncc(C(F)(F)F)[n-]2)n1	ZINC001188294830	772281038	/nfs/dbraw/zinc/28/10/38/772281038.db2.gz	CJFKINRVHKITDD-UHFFFAOYSA-N	-1	0	314.227	0.773	20	30		DCEDRM
COC(=O)CCS(=O)(=O)[N-]c1nc(Cl)ccc1C#N	ZINC001188353412	772298548	/nfs/dbraw/zinc/29/85/48/772298548.db2.gz	XEHFAXDACBGEAR-UHFFFAOYSA-N	-1	0	303.727	0.911	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2nc3ccccc3[nH]2)c(C#N)c1=O	ZINC001162010539	772313715	/nfs/dbraw/zinc/31/37/15/772313715.db2.gz	QDLVXFIZPGDPPL-UHFFFAOYSA-N	-1	0	310.317	0.476	20	30		DCEDRM
Cc1cnnc(N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])c1	ZINC001163066117	772452099	/nfs/dbraw/zinc/45/20/99/772452099.db2.gz	QFQMWNAECFYRHW-JTQLQIEISA-N	-1	0	322.327	0.305	20	30		DCEDRM
COc1nc(S(=O)(=O)[N-]c2cnn(C)c2C#N)ccc1F	ZINC001190065681	772575543	/nfs/dbraw/zinc/57/55/43/772575543.db2.gz	DEKCLWJMKZIVKR-UHFFFAOYSA-N	-1	0	311.298	0.635	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)C(=O)OC	ZINC001190413062	772626242	/nfs/dbraw/zinc/62/62/42/772626242.db2.gz	MJSVTDMODPMSDK-VIFPVBQESA-N	-1	0	321.276	0.947	20	30		DCEDRM
COC(=O)c1ccc(NCC[N-]C(=O)C(F)(F)F)c(C#N)n1	ZINC001164246231	772630870	/nfs/dbraw/zinc/63/08/70/772630870.db2.gz	UWZZNUDJKZDVGL-UHFFFAOYSA-N	-1	0	316.239	0.830	20	30		DCEDRM
CCOC(=O)C(C#N)[N-]S(=O)(=O)C(Cl)(Cl)Cl	ZINC001192050532	772857283	/nfs/dbraw/zinc/85/72/83/772857283.db2.gz	VWYMGSMELIRCHT-BYPYZUCNSA-N	-1	0	309.558	0.689	20	30		DCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc(C#N)cc1OC	ZINC001192268507	772895534	/nfs/dbraw/zinc/89/55/34/772895534.db2.gz	OTGCYHPHGZKGRV-NSHDSACASA-N	-1	0	320.301	0.703	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)C2CC2)cc1	ZINC001192988038	772984572	/nfs/dbraw/zinc/98/45/72/772984572.db2.gz	HWCFRNRFSHQFLS-UHFFFAOYSA-N	-1	0	300.361	0.888	20	30		DCEDRM
CSc1nnc([N-]S(=O)(=O)[C@@H](C)C#N)c(SC)n1	ZINC001193105717	773006190	/nfs/dbraw/zinc/00/61/90/773006190.db2.gz	BWLXHHAYRUAIRF-YFKPBYRVSA-N	-1	0	305.410	0.969	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)N2CCOCC2)cn1	ZINC001193105620	773006294	/nfs/dbraw/zinc/00/62/94/773006294.db2.gz	AKSYGAFDANUHAT-SNVBAGLBSA-N	-1	0	324.362	0.208	20	30		DCEDRM
COC(=O)C[C@@H]1CN(C(=O)c2cccc(C#N)c2[O-])CCO1	ZINC001193643902	773093949	/nfs/dbraw/zinc/09/39/49/773093949.db2.gz	GYMZVXDZTBOSIW-LLVKDONJSA-N	-1	0	304.302	0.668	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2cccc(C#N)c2[O-])CCN1C	ZINC001193647300	773097718	/nfs/dbraw/zinc/09/77/18/773097718.db2.gz	ZBCJNUWXNHYAEX-LBPRGKRZSA-N	-1	0	303.318	0.193	20	30		DCEDRM
Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)c1cccc(C#N)c1[O-]	ZINC001193657845	773098823	/nfs/dbraw/zinc/09/88/23/773098823.db2.gz	INRUOTVQMJYIPM-UHFFFAOYSA-N	-1	0	315.245	0.713	20	30		DCEDRM
N#CCNCC1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC001206870371	773115823	/nfs/dbraw/zinc/11/58/23/773115823.db2.gz	UVDWEDDMLRFWKG-UHFFFAOYSA-N	-1	0	315.333	0.894	20	30		DCEDRM
C#Cc1cnc([N-]S(=O)(=O)C2CCC(=O)CC2)c(C#C)n1	ZINC001194759284	773258012	/nfs/dbraw/zinc/25/80/12/773258012.db2.gz	KADLDNRHUIRHKP-UHFFFAOYSA-N	-1	0	303.343	0.693	20	30		DCEDRM
CC(=O)OCN1CCC(NC(=O)c2ccc(C#N)cc2[O-])CC1	ZINC001195768927	773470831	/nfs/dbraw/zinc/47/08/31/773470831.db2.gz	REEQYXDCLAOPIY-UHFFFAOYSA-N	-1	0	317.345	0.979	20	30		DCEDRM
CC#CCN1CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1	ZINC001196367254	773594767	/nfs/dbraw/zinc/59/47/67/773594767.db2.gz	UXAAMJCHHZUQCA-UHFFFAOYSA-N	-1	0	321.381	0.027	20	30		DCEDRM
N#Cc1cnccc1Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001214016280	773912117	/nfs/dbraw/zinc/91/21/17/773912117.db2.gz	FVVSJCNEIFRKBT-UHFFFAOYSA-N	-1	0	300.299	0.551	20	30		DCEDRM
COc1ccc(OC)c(/C(=N/[O-])OC2CS(=O)(=O)C2)c1	ZINC001223891685	775524274	/nfs/dbraw/zinc/52/42/74/775524274.db2.gz	QCXAUOSLVGNVKH-SEYXRHQNSA-N	-1	0	301.320	0.653	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc2n[nH]nc21	ZINC001225990752	775751097	/nfs/dbraw/zinc/75/10/97/775751097.db2.gz	IZESFFPRBHUEEP-SECBINFHSA-N	-1	0	313.335	0.796	20	30		DCEDRM
N#CC1CCC(Oc2[nH]c(=O)nc3c(=O)[n-]c(=O)[nH]c32)CC1	ZINC001226887484	775891906	/nfs/dbraw/zinc/89/19/06/775891906.db2.gz	HCISRBALRIRDEO-UHFFFAOYSA-N	-1	0	303.278	0.998	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccnc(=S)[nH]1	ZINC001226940686	775899791	/nfs/dbraw/zinc/89/97/91/775899791.db2.gz	TTYFNBWOAJLMQO-MRVPVSSYSA-N	-1	0	306.365	0.603	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C)oc(=O)c1	ZINC001226959943	775902633	/nfs/dbraw/zinc/90/26/33/775902633.db2.gz	QOOBKNJENRTURF-NSHDSACASA-N	-1	0	304.320	0.786	20	30		DCEDRM
C#CC(C#C)Oc1nc(=O)[n-]c(C(=O)OC)c1Br	ZINC001227331539	775960949	/nfs/dbraw/zinc/96/09/49/775960949.db2.gz	AFNBMGOKKYQPFV-UHFFFAOYSA-N	-1	0	311.091	0.745	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nc2cc[nH]cc-2n1	ZINC001227869209	776017988	/nfs/dbraw/zinc/01/79/88/776017988.db2.gz	MKRCDRRQFIRPDD-VIFPVBQESA-N	-1	0	313.335	0.796	20	30		DCEDRM
C#CC(C#C)Oc1nc[n-]c(=O)c1I	ZINC001228931551	776140465	/nfs/dbraw/zinc/14/04/65/776140465.db2.gz	BYPAEXDJRZPMGC-UHFFFAOYSA-N	-1	0	300.055	0.801	20	30		DCEDRM
O=C([O-])C[C@@H](O)C(=O)Oc1ccc(O)c2c1C(=O)C=CC2=O	ZINC001229407164	776187651	/nfs/dbraw/zinc/18/76/51/776187651.db2.gz	JYLSUGSXGFNNSE-SECBINFHSA-N	-1	0	306.226	0.068	20	30		DCEDRM
C#CCN(C1CCOCC1)S(=O)(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001465108394	804099365	/nfs/dbraw/zinc/09/93/65/804099365.db2.gz	YYHHMQOMAUMDFY-OLZOCXBDSA-N	-1	0	315.391	0.684	20	30		DCEDRM
C=CCn1c(CC(C)(C)O)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602931931	1169210206	/nfs/dbraw/zinc/21/02/06/1169210206.db2.gz	FVVIXLPWPHVODZ-SNVBAGLBSA-N	-1	0	310.354	0.067	20	30		DCEDRM
COCC#CCN1CC[C@@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001278381714	945263721	/nfs/dbraw/zinc/26/37/21/945263721.db2.gz	OBIYDNOWBJYJJR-OAHLLOKOSA-N	-1	0	306.366	0.268	20	30		DCEDRM
C=CCN1C[C@@]2(F)CN(C(=O)c3cnc[nH]c3=O)C[C@@]2(F)C1=O	ZINC001271630090	941413123	/nfs/dbraw/zinc/41/31/23/941413123.db2.gz	KDCYIOTUHCVGRN-ZIAGYGMSSA-N	-1	0	324.287	0.083	20	30		DCEDRM
COCCn1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1=O	ZINC001611015814	970849724	/nfs/dbraw/zinc/84/97/24/970849724.db2.gz	QBGDHXASWCRSIB-CQSZACIVSA-N	-1	0	307.306	0.438	20	30		DCEDRM
COC(=O)C1(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CCOCC1	ZINC001412974186	942168528	/nfs/dbraw/zinc/16/85/28/942168528.db2.gz	WIOGKPBYSYYFAJ-UHFFFAOYSA-N	-1	0	319.317	0.419	20	30		DCEDRM
N#CCCCN1CC[C@@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1=O	ZINC001272285420	942663803	/nfs/dbraw/zinc/66/38/03/942663803.db2.gz	HDWPZSFCQUTSQB-HNNXBMFYSA-N	-1	0	317.349	0.484	20	30		DCEDRM
C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2cc(=O)n(C)[n-]2)C1=O	ZINC001272356754	942712274	/nfs/dbraw/zinc/71/22/74/942712274.db2.gz	ZHFHTFAADCDXIY-INIZCTEOSA-N	-1	0	318.377	0.909	20	30		DCEDRM
CC[C@@H](CC#N)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001255164160	943235275	/nfs/dbraw/zinc/23/52/75/943235275.db2.gz	KELCLKTUQUTNET-VHSXEESVSA-N	-1	0	311.344	0.695	20	30		DCEDRM
C[C@H](NCC#N)[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001484351899	943331397	/nfs/dbraw/zinc/33/13/97/943331397.db2.gz	GPDGHGFPABUWKV-VHSXEESVSA-N	-1	0	315.333	0.892	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001484468634	943407543	/nfs/dbraw/zinc/40/75/43/943407543.db2.gz	MUCCXDFZYVKBKR-NWDGAFQWSA-N	-1	0	321.381	0.136	20	30		DCEDRM
N#Cc1cncc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)c1	ZINC001413614698	943526835	/nfs/dbraw/zinc/52/68/35/943526835.db2.gz	OKKVTHNNDYCVLI-UHFFFAOYSA-N	-1	0	302.294	0.053	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2ccc3c(c2)NC(=O)CO3)c1=O	ZINC001320674433	945972194	/nfs/dbraw/zinc/97/21/94/945972194.db2.gz	FTKIOZXSGHDLSD-UHFFFAOYSA-N	-1	0	317.330	0.449	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-]	ZINC001321166768	946196839	/nfs/dbraw/zinc/19/68/39/946196839.db2.gz	KUDWXGPIPOIBLH-PWSUYJOCSA-N	-1	0	306.318	0.774	20	30		DCEDRM
C#CCCN1CCN(C(=O)C2(C(=O)[O-])CCSCC2)CC1	ZINC001602675629	971251830	/nfs/dbraw/zinc/25/18/30/971251830.db2.gz	DWCMHJOMIIVRQI-UHFFFAOYSA-N	-1	0	310.419	0.752	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(Cl)nc1C	ZINC001602678782	971256781	/nfs/dbraw/zinc/25/67/81/971256781.db2.gz	GFPVAPHTXHDYLX-UHFFFAOYSA-N	-1	0	309.709	0.528	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccnc1OC(C)C	ZINC001602679842	971262222	/nfs/dbraw/zinc/26/22/22/971262222.db2.gz	WYHQYKKKGWQYGO-UHFFFAOYSA-N	-1	0	319.317	0.354	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@H](c2ccccc2)OC1=O	ZINC001602682224	971266499	/nfs/dbraw/zinc/26/64/99/971266499.db2.gz	JTLIYNANIPTATA-CHWSQXEVSA-N	-1	0	301.298	0.837	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O)C(=O)[O-]	ZINC001322601334	946740239	/nfs/dbraw/zinc/74/02/39/946740239.db2.gz	PYDWZHCHTDZOGR-WDEREUQCSA-N	-1	0	318.395	0.192	20	30		DCEDRM
C=CC[C@H](NC(=O)c1c(C)oc2ncn(C)c(=O)c21)C(=O)[O-]	ZINC001322602545	946742625	/nfs/dbraw/zinc/74/26/25/946742625.db2.gz	WEWOXNWSAUSXSW-QMMMGPOBSA-N	-1	0	305.290	0.594	20	30		DCEDRM
COC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC001258036482	946792436	/nfs/dbraw/zinc/79/24/36/946792436.db2.gz	ZAGZBFORXSQSSJ-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2cccnc2C(N)=O)c1	ZINC001259118316	946915812	/nfs/dbraw/zinc/91/58/12/946915812.db2.gz	LKAAZFBIGPBVEE-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NC[C@@H]1Cc2ccccc2O1	ZINC001602695815	971312343	/nfs/dbraw/zinc/31/23/43/971312343.db2.gz	UOXUZALRNSPAGP-ZDUSSCGKSA-N	-1	0	302.330	0.126	20	30		DCEDRM
C=CCS(=O)(=O)[N-]c1c(C(N)=O)cnn1C1CCOCC1	ZINC001259922554	947021509	/nfs/dbraw/zinc/02/15/09/947021509.db2.gz	BIYLIZQTRKFXLE-UHFFFAOYSA-N	-1	0	314.367	0.261	20	30		DCEDRM
C=CCS(=O)(=O)[N-]c1ncc(Br)nc1CO	ZINC001259923583	947021874	/nfs/dbraw/zinc/02/18/74/947021874.db2.gz	RAUBKGURDQESPL-UHFFFAOYSA-N	-1	0	308.157	0.659	20	30		DCEDRM
Cn1cnc([N-]S(=O)(=O)c2cccc3nonc32)c1C#N	ZINC001260436319	947102402	/nfs/dbraw/zinc/10/24/02/947102402.db2.gz	YAWAKPVWRUDHFB-UHFFFAOYSA-N	-1	0	304.291	0.629	20	30		DCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC001260435521	947102847	/nfs/dbraw/zinc/10/28/47/947102847.db2.gz	DVHVMQIOLMMIFO-UHFFFAOYSA-N	-1	0	301.287	0.795	20	30		DCEDRM
COC(=O)c1ccc(C(=NS(=O)(=O)c2cn[n-]c2)NO)cc1	ZINC001260963081	947160202	/nfs/dbraw/zinc/16/02/02/947160202.db2.gz	FTWYNNAWCPXAEK-UHFFFAOYSA-N	-1	0	324.318	0.311	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)C(=O)OCC	ZINC001602718727	971376495	/nfs/dbraw/zinc/37/64/95/971376495.db2.gz	UKKVLMNHWVOUHR-WOPDTQHZSA-N	-1	0	313.350	0.880	20	30		DCEDRM
C=CCCC(=O)N(C)C[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1	ZINC001573328931	947417007	/nfs/dbraw/zinc/41/70/07/947417007.db2.gz	FBDNQSLLBJSJID-JTQLQIEISA-N	-1	0	316.369	0.304	20	30		DCEDRM
C=CCN(C(=O)C(=O)NCC1(C(=O)[O-])CCOCC1)C(C)C	ZINC001602721934	971384847	/nfs/dbraw/zinc/38/48/47/971384847.db2.gz	HIXKMEOECKIQJE-UHFFFAOYSA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC001602722990	971392335	/nfs/dbraw/zinc/39/23/35/971392335.db2.gz	FIWGIWCQTDAPLH-MEBBXXQBSA-N	-1	0	324.333	0.741	20	30		DCEDRM
C=CCN1CC[C@H](OC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)C1=O	ZINC001602723127	971394615	/nfs/dbraw/zinc/39/46/15/971394615.db2.gz	NTDBJJMAKVNOKM-SRVKXCTJSA-N	-1	0	311.334	0.586	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)C1(C(=O)[O-])CCSCC1	ZINC001602728929	971398596	/nfs/dbraw/zinc/39/85/96/971398596.db2.gz	PILKRCNFFDOCJL-UHFFFAOYSA-N	-1	0	321.420	0.301	20	30		DCEDRM
CC#CCC[N@@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001602735085	971415902	/nfs/dbraw/zinc/41/59/02/971415902.db2.gz	NYCPROABMWWMRZ-ZJUUUORDSA-N	-1	0	306.284	0.996	20	30		DCEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)C(=O)[O-]	ZINC001604391904	1169580800	/nfs/dbraw/zinc/58/08/00/1169580800.db2.gz	FNUNNKDJRHUEAR-XLKFXECMSA-N	-1	0	313.306	0.833	20	30		DCEDRM
COC(=O)c1sc2nccnc2c1[N-]S(=O)(=O)CC#N	ZINC001192938347	948005264	/nfs/dbraw/zinc/00/52/64/948005264.db2.gz	BSVWGVCICROQKN-UHFFFAOYSA-N	-1	0	312.332	0.743	20	30		DCEDRM
C=CC[C@H](NC(=O)c1cc(S(=O)(=O)NC)cs1)C(=O)[O-]	ZINC001327013411	948363402	/nfs/dbraw/zinc/36/34/02/948363402.db2.gz	LBDWUSHQJQZQER-QMMMGPOBSA-N	-1	0	318.376	0.415	20	30		DCEDRM
C=CCCCC(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1	ZINC001327593538	948562813	/nfs/dbraw/zinc/56/28/13/948562813.db2.gz	XDLJIJBIDLFJRY-HNNXBMFYSA-N	-1	0	323.397	0.310	20	30		DCEDRM
C=CCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001488426797	948836714	/nfs/dbraw/zinc/83/67/14/948836714.db2.gz	UMLPNTVQKQURIJ-NSHDSACASA-N	-1	0	324.381	0.281	20	30		DCEDRM
CC1(C#N)CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1	ZINC001604483338	1169599544	/nfs/dbraw/zinc/59/95/44/1169599544.db2.gz	PXGJZHBZXZVUPW-LLVKDONJSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#Cc1ncc(N[C@H](CO)Cc2ccccc2)nc1-c1nnn[n-]1	ZINC001570932697	948863576	/nfs/dbraw/zinc/86/35/76/948863576.db2.gz	WJYGEZPDKUVUJP-NSHDSACASA-N	-1	0	322.332	0.544	20	30		DCEDRM
C[C@@H](C#N)CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001602786044	971531598	/nfs/dbraw/zinc/53/15/98/971531598.db2.gz	CPJMJAHUIJKEJU-CMPLNLGQSA-N	-1	0	307.350	0.460	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)c1ccc(C(=O)[O-])cn1)C1CC1	ZINC001602786381	971534469	/nfs/dbraw/zinc/53/44/69/971534469.db2.gz	NQOSJVDWXPVIAV-HNNXBMFYSA-N	-1	0	317.301	0.745	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)C(=O)[O-]	ZINC001329113010	949365573	/nfs/dbraw/zinc/36/55/73/949365573.db2.gz	HXBZXCCEVUXXMU-SECBINFHSA-N	-1	0	301.302	0.284	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC001364487026	949407139	/nfs/dbraw/zinc/40/71/39/949407139.db2.gz	XEUKTZUEXFXEJD-UHFFFAOYSA-N	-1	0	319.346	0.949	20	30		DCEDRM
CCC[C@H](C#N)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001589630951	949538187	/nfs/dbraw/zinc/53/81/87/949538187.db2.gz	SYWLWUFONOJVDY-SECBINFHSA-N	-1	0	302.352	0.074	20	30		DCEDRM
COC(=O)[C@@H](NCc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1	ZINC001364693565	949766760	/nfs/dbraw/zinc/76/67/60/949766760.db2.gz	QMZQKZQXESFGOK-LBPRGKRZSA-N	-1	0	301.306	0.348	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(F)cc(F)cc1OC	ZINC001330122300	950134287	/nfs/dbraw/zinc/13/42/87/950134287.db2.gz	DKJORTMGYNYICW-UHFFFAOYSA-N	-1	0	319.285	0.682	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC001330248873	950226434	/nfs/dbraw/zinc/22/64/34/950226434.db2.gz	ZDTVHYIGDSHTNQ-ZDUSSCGKSA-N	-1	0	314.349	0.492	20	30		DCEDRM
C[C@H](NC(=O)C#CC1CC1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001279137854	950524059	/nfs/dbraw/zinc/52/40/59/950524059.db2.gz	ZYNFXVWGGDTQAF-NSHDSACASA-N	-1	0	317.393	0.640	20	30		DCEDRM
Cc1noc(C)c1[C@@H](C)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365225188	950766828	/nfs/dbraw/zinc/76/68/28/950766828.db2.gz	LRLHMMLGTVEZHV-ZETCQYMHSA-N	-1	0	303.322	0.766	20	30		DCEDRM
O=C([O-])CC[C@@H]1C[C@H](C(=O)NCC#C[C@@H]2CCCCO2)CO1	ZINC001595002310	951147047	/nfs/dbraw/zinc/14/70/47/951147047.db2.gz	SCPCEBNMWXOFEI-MELADBBJSA-N	-1	0	309.362	0.945	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnc(Cl)n1C	ZINC001333649751	952123079	/nfs/dbraw/zinc/12/30/79/952123079.db2.gz	GYZVOEPPOHLVHJ-QMMMGPOBSA-N	-1	0	321.786	0.860	20	30		DCEDRM
C#CC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC001334979345	952429338	/nfs/dbraw/zinc/42/93/38/952429338.db2.gz	GKFQGVTVOKSNHD-UHFFFAOYSA-N	-1	0	311.382	0.217	20	30		DCEDRM
C=CCC[C@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001334980609	952429402	/nfs/dbraw/zinc/42/94/02/952429402.db2.gz	XDFONVCDQUMWBR-AAEUAGOBSA-N	-1	0	321.381	0.717	20	30		DCEDRM
N#Cc1cccc2c1CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C2	ZINC001412296346	952735056	/nfs/dbraw/zinc/73/50/56/952735056.db2.gz	CGWQFYUUORLXDI-UHFFFAOYSA-N	-1	0	313.317	0.884	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-]	ZINC001338370989	953004291	/nfs/dbraw/zinc/00/42/91/953004291.db2.gz	HDFNPXGZJNQOJP-NSHDSACASA-N	-1	0	312.347	0.483	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)Cc1ccn(C)n1	ZINC001338946020	953063395	/nfs/dbraw/zinc/06/33/95/953063395.db2.gz	IALJJDZTWMBEQT-UHFFFAOYSA-N	-1	0	314.353	0.058	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@](F)(C#N)C1	ZINC001338946603	953064118	/nfs/dbraw/zinc/06/41/18/953064118.db2.gz	SQDZLGKTSWQUSF-CYBMUJFWSA-N	-1	0	303.301	0.130	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@@H]1CC[C@H]1OC	ZINC001339710722	953114669	/nfs/dbraw/zinc/11/46/69/953114669.db2.gz	SFXQFZJPCZVLGN-GHMZBOCLSA-N	-1	0	304.354	0.302	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@@H]1CSCN1C(=O)CCC)C(=O)[O-]	ZINC001339863057	953124979	/nfs/dbraw/zinc/12/49/79/953124979.db2.gz	YEQNUAWUDPQEPD-UWVGGRQHSA-N	-1	0	300.380	0.834	20	30		DCEDRM
CO[C@H]1CCn2cc(C([O-])=C(C#N)C(=O)N3CCCC3)nc2C1	ZINC001341953244	953260909	/nfs/dbraw/zinc/26/09/09/953260909.db2.gz	CIGHIVGEOSCVTE-RYUDHWBXSA-N	-1	0	316.361	0.789	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CC1(C)COC1	ZINC001342150704	953273358	/nfs/dbraw/zinc/27/33/58/953273358.db2.gz	UKUQTGVOYAVIHO-UHFFFAOYSA-N	-1	0	318.381	0.551	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C)C(=O)[O-]	ZINC001344553150	953495166	/nfs/dbraw/zinc/49/51/66/953495166.db2.gz	PZGYSKKHIWMZEB-SNVBAGLBSA-N	-1	0	317.305	0.435	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1	ZINC001589281099	953514524	/nfs/dbraw/zinc/51/45/24/953514524.db2.gz	QTWDTXIHOQKKQA-UWVGGRQHSA-N	-1	0	315.333	0.849	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OCC2CC2)nc1	ZINC001346053076	953792608	/nfs/dbraw/zinc/79/26/08/953792608.db2.gz	BLWQYJCYRBOTPI-ZDUSSCGKSA-N	-1	0	317.345	0.955	20	30		DCEDRM
C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cn2)[C@H]1C(=O)[O-]	ZINC001589333711	953967605	/nfs/dbraw/zinc/96/76/05/953967605.db2.gz	XXJALBRFZVICIB-JOYOIKCWSA-N	-1	0	309.347	0.827	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(C(=O)[C@@H](C)CC#N)C[C@H]2C(=O)[O-]	ZINC001593821471	955041809	/nfs/dbraw/zinc/04/18/09/955041809.db2.gz	RXLABXVMQLVEPM-PAPNWUEJSA-N	-1	0	308.334	0.649	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC(NC(=O)C#CC3CC3)CC2)c1[O-]	ZINC001350853050	955204078	/nfs/dbraw/zinc/20/40/78/955204078.db2.gz	HFCJLPWDBFTARV-UHFFFAOYSA-N	-1	0	316.361	0.558	20	30		DCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)CCCC#N)COc2ccccc2O1	ZINC001351511718	955319848	/nfs/dbraw/zinc/31/98/48/955319848.db2.gz	UPQSTGXIYHHSJR-AWEZNQCLSA-N	-1	0	324.358	0.966	20	30		DCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N1C[C@@H](C)OC(C)(C)C1	ZINC001351669104	955377317	/nfs/dbraw/zinc/37/73/17/955377317.db2.gz	NCJIOZYSGOXJAA-SNVBAGLBSA-N	-1	0	318.385	0.572	20	30		DCEDRM
COC(=O)c1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])ccn1	ZINC001593869860	955621841	/nfs/dbraw/zinc/62/18/41/955621841.db2.gz	BIHLGZDAWPPSTO-CQSZACIVSA-N	-1	0	305.290	0.489	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)c1ccc(C#N)c(Cl)n1)C(=O)[O-]	ZINC001594589991	956046062	/nfs/dbraw/zinc/04/60/62/956046062.db2.gz	BIJAFFMDBPRFHG-JTQLQIEISA-N	-1	0	319.708	0.896	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnc(Cl)n1C	ZINC001353533166	956095845	/nfs/dbraw/zinc/09/58/45/956095845.db2.gz	HUPUMDQYXKPCME-SFYZADRCSA-N	-1	0	319.770	0.470	20	30		DCEDRM
N#CCC1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	ZINC001594605947	956174321	/nfs/dbraw/zinc/17/43/21/956174321.db2.gz	LKKYUSBIBHFSCU-LBPRGKRZSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	ZINC001594606147	956179002	/nfs/dbraw/zinc/17/90/02/956179002.db2.gz	QPRPMPIAUBDAEQ-KGYLQXTDSA-N	-1	0	319.361	0.318	20	30		DCEDRM
N#CC1CCN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1	ZINC001594606549	956185116	/nfs/dbraw/zinc/18/51/16/956185116.db2.gz	ZUBBQCJFYPIJRU-GFCCVEGCSA-N	-1	0	322.365	0.397	20	30		DCEDRM
N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1	ZINC001594611162	956211511	/nfs/dbraw/zinc/21/15/11/956211511.db2.gz	HTODXSORVSWMCN-LBPRGKRZSA-N	-1	0	317.301	0.603	20	30		DCEDRM
N#CCOc1ccccc1C(=O)NC1(C(=O)[O-])CCOCC1	ZINC001594611708	956219127	/nfs/dbraw/zinc/21/91/27/956219127.db2.gz	YZZMTOHTVYEHKV-UHFFFAOYSA-N	-1	0	304.302	0.953	20	30		DCEDRM
N#Cc1c(NC(=O)CCCC(=O)[O-])[nH]nc1N1CCOCC1	ZINC001594614514	956231469	/nfs/dbraw/zinc/23/14/69/956231469.db2.gz	XPECJSIHTYBYDE-UHFFFAOYSA-N	-1	0	307.310	0.311	20	30		DCEDRM
N#Cc1cc(C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)co1	ZINC001594617123	956246660	/nfs/dbraw/zinc/24/66/60/956246660.db2.gz	YKUIEUVSBQKUSW-UHFFFAOYSA-N	-1	0	302.246	0.828	20	30		DCEDRM
C[C@](O)(CNS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC001589147659	956312713	/nfs/dbraw/zinc/31/27/13/956312713.db2.gz	JARZWZWWFPQKHC-NSHDSACASA-N	-1	0	304.368	0.215	20	30		DCEDRM
N#Cc1cccc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1	ZINC001594626033	956313986	/nfs/dbraw/zinc/31/39/86/956313986.db2.gz	RNDQDAGHPXLVIN-BBRMVZONSA-N	-1	0	315.329	0.801	20	30		DCEDRM
N#Cc1ccc([N+](=O)[O-])c(NCCOCCOCC(=O)[O-])c1	ZINC001594627874	956325476	/nfs/dbraw/zinc/32/54/76/956325476.db2.gz	XSXWLHIZISJTTJ-UHFFFAOYSA-N	-1	0	309.278	0.996	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001463589345	1013145815	/nfs/dbraw/zinc/14/58/15/1013145815.db2.gz	LKUKNMCRCRXZOO-SECBINFHSA-N	-1	0	314.319	0.353	20	30		DCEDRM
N#Cc1cnc(COC(=O)C2(CC(=O)[O-])CCOCC2)nc1	ZINC001594633064	956356257	/nfs/dbraw/zinc/35/62/57/956356257.db2.gz	LNJPXPDDOHXQQA-UHFFFAOYSA-N	-1	0	305.290	0.663	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(c2ccc(C(=O)OC)nc2C#N)C1	ZINC001593968445	956586708	/nfs/dbraw/zinc/58/67/08/956586708.db2.gz	XPHSHOPSEZEHOB-OAHLLOKOSA-N	-1	0	319.317	0.667	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)Nc2cccc(C#N)c2)CCO1	ZINC001593977373	956677535	/nfs/dbraw/zinc/67/75/35/956677535.db2.gz	JTBKKVGRCSFCNY-OAHLLOKOSA-N	-1	0	319.317	0.892	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CC(F)(F)F	ZINC001356037556	956767237	/nfs/dbraw/zinc/76/72/37/956767237.db2.gz	BOACMWRCBPFYIJ-UHFFFAOYSA-N	-1	0	302.260	0.687	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCOC2CCCCC2)c(=O)[n-]c1=O	ZINC001291983270	956922113	/nfs/dbraw/zinc/92/21/13/956922113.db2.gz	XQQKDPKNMBDAMS-UHFFFAOYSA-N	-1	0	320.349	0.286	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(OCC(N)=O)c1	ZINC001357543794	957313665	/nfs/dbraw/zinc/31/36/65/957313665.db2.gz	OPFRAZLDEKVBAX-CYBMUJFWSA-N	-1	0	315.329	0.496	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2(CNC(=O)C#CC(C)C)CC2)c1[O-]	ZINC001358660335	957552926	/nfs/dbraw/zinc/55/29/26/957552926.db2.gz	YDQHDENOODPLBM-UHFFFAOYSA-N	-1	0	304.350	0.462	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2ccc(O)cc2)c(=O)[n-]c1=O	ZINC001294756090	957582759	/nfs/dbraw/zinc/58/27/59/957582759.db2.gz	SAVDLGPJBUZJOD-UHFFFAOYSA-N	-1	0	300.274	0.555	20	30		DCEDRM
CC[C@H](NC(=O)C(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC001328401210	957676421	/nfs/dbraw/zinc/67/64/21/957676421.db2.gz	UTKGERKMYMQLAU-NSHDSACASA-N	-1	0	305.290	0.507	20	30		DCEDRM
N#CCCNC(=O)COc1cn(-c2ccccc2)nc1C(=O)[O-]	ZINC000390431871	972284512	/nfs/dbraw/zinc/28/45/12/972284512.db2.gz	SQMMOVNTXWCXCJ-UHFFFAOYSA-N	-1	0	314.301	0.979	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC(c3ncco3)CC2)c(C#N)c1=O	ZINC001413895046	957829660	/nfs/dbraw/zinc/82/96/60/957829660.db2.gz	UVXJYDLTRORQRV-UHFFFAOYSA-N	-1	0	301.306	0.317	20	30		DCEDRM
COc1cc(C(N)=O)ccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001594051897	957999943	/nfs/dbraw/zinc/99/99/43/957999943.db2.gz	DHZNCDORCKLCGP-CQSZACIVSA-N	-1	0	305.290	0.737	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC001588388807	958000951	/nfs/dbraw/zinc/00/09/51/958000951.db2.gz	HAXMZYNIHSWEJN-BBRMVZONSA-N	-1	0	304.346	0.712	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1	ZINC001588388914	958001591	/nfs/dbraw/zinc/00/15/91/958001591.db2.gz	IKCRHCKQVJIFEY-CHWSQXEVSA-N	-1	0	321.377	0.507	20	30		DCEDRM
C=CC(C)(C)CNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001343040300	958020082	/nfs/dbraw/zinc/02/00/82/958020082.db2.gz	GNSUGTUUEDFAPT-LLVKDONJSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2c(c1)CCO2	ZINC001588395048	958036586	/nfs/dbraw/zinc/03/65/86/958036586.db2.gz	ITMNDZZGFMQNIY-UHFFFAOYSA-N	-1	0	302.286	0.106	20	30		DCEDRM
C#CCN(C(=O)C(=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1	ZINC001588396454	958050370	/nfs/dbraw/zinc/05/03/70/958050370.db2.gz	SCGCHTLTGOFMMQ-UHFFFAOYSA-N	-1	0	310.350	0.932	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)Sc1nnnn1C1CC1	ZINC001588397739	958062576	/nfs/dbraw/zinc/06/25/76/958062576.db2.gz	SHNNCXBYLOKQPF-MRVPVSSYSA-N	-1	0	309.351	0.035	20	30		DCEDRM
COc1cc(CNC(=O)c2cc(C(=O)[O-])n[nH]2)ccc1C#N	ZINC001594058480	958063186	/nfs/dbraw/zinc/06/31/86/958063186.db2.gz	YYKDNGAEBLPNCC-UHFFFAOYSA-N	-1	0	300.274	0.918	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C(=O)OCC)c1ccccc1	ZINC001588397923	958066326	/nfs/dbraw/zinc/06/63/26/958066326.db2.gz	YQYSEMDFHDECGW-CQSZACIVSA-N	-1	0	303.314	0.880	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1ccc(C(=O)OC)cc1	ZINC001588401938	958085193	/nfs/dbraw/zinc/08/51/93/958085193.db2.gz	GLUXOTSELZVIDW-UHFFFAOYSA-N	-1	0	303.314	0.952	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CNC(=O)c1ccccc1OCC	ZINC001588402175	958088205	/nfs/dbraw/zinc/08/82/05/958088205.db2.gz	NOICCCVGURCTQN-UHFFFAOYSA-N	-1	0	318.329	0.362	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CC1(C(=O)OCC)CCOCC1	ZINC001588402382	958092261	/nfs/dbraw/zinc/09/22/61/958092261.db2.gz	SLHCBGGNESSFSM-UHFFFAOYSA-N	-1	0	311.334	0.283	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1	ZINC001588402487	958093931	/nfs/dbraw/zinc/09/39/31/958093931.db2.gz	VREVNJSXPXKBOS-NWDGAFQWSA-N	-1	0	311.334	0.234	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1ccc([N+](=O)[O-])c(F)c1	ZINC001588407944	958105375	/nfs/dbraw/zinc/10/53/75/958105375.db2.gz	ZJORFSRVBVEOFP-UHFFFAOYSA-N	-1	0	310.237	0.659	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(OCCOC)nc1	ZINC001588409275	958126504	/nfs/dbraw/zinc/12/65/04/958126504.db2.gz	VFBZGGNBBYALKY-UHFFFAOYSA-N	-1	0	321.333	0.336	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCc2nc(C)ncc21	ZINC001588409855	958132412	/nfs/dbraw/zinc/13/24/12/958132412.db2.gz	LYHDRSARPXJIAN-CYBMUJFWSA-N	-1	0	302.334	0.892	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1n1cccn1	ZINC001588410705	958142692	/nfs/dbraw/zinc/14/26/92/958142692.db2.gz	YVYHQEKGJFQZLF-YRGRVCCFSA-N	-1	0	320.349	0.331	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc(C(=O)NC)c1C	ZINC001588412428	958152338	/nfs/dbraw/zinc/15/23/38/958152338.db2.gz	FVCYDBZUMKMTCT-UHFFFAOYSA-N	-1	0	303.318	0.906	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccnc1OCCOC	ZINC001588412875	958155077	/nfs/dbraw/zinc/15/50/77/958155077.db2.gz	LIEYPGMAOHUYKJ-UHFFFAOYSA-N	-1	0	307.306	0.659	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccnc(C(=O)N(C)C)c1	ZINC001588412971	958155139	/nfs/dbraw/zinc/15/51/39/958155139.db2.gz	OVOJYNJOECLFSF-UHFFFAOYSA-N	-1	0	304.306	0.335	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(C#N)n2)cn1	ZINC001361638237	958164146	/nfs/dbraw/zinc/16/41/46/958164146.db2.gz	COCQQEAHFREUIC-UHFFFAOYSA-N	-1	0	317.330	0.972	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccccc1SCC(N)=O	ZINC001588418717	958183951	/nfs/dbraw/zinc/18/39/51/958183951.db2.gz	FEQHIMDHTGGLJK-UHFFFAOYSA-N	-1	0	306.343	0.424	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1ccc2c(c1)OCCO2	ZINC001588420473	958204929	/nfs/dbraw/zinc/20/49/29/958204929.db2.gz	ZOKLMFMOQYYYQZ-UHFFFAOYSA-N	-1	0	304.302	0.416	20	30		DCEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NCC(F)(F)F	ZINC001603216072	972329748	/nfs/dbraw/zinc/32/97/48/972329748.db2.gz	NQKCGJGXRCWSGY-LHLIQPBNSA-N	-1	0	309.244	0.174	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2c[nH]c(C)n2)n1CC=C	ZINC001588426485	958229646	/nfs/dbraw/zinc/22/96/46/958229646.db2.gz	MSSJRLSZEFQXHQ-UHFFFAOYSA-N	-1	0	300.322	0.687	20	30		DCEDRM
C[C@@H]1CCC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC001361701851	958231750	/nfs/dbraw/zinc/23/17/50/958231750.db2.gz	QIIWBFISMSTASP-JFGNBEQYSA-N	-1	0	304.350	0.761	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2C[C@H]2C#N)n1CCOC	ZINC001588426963	958236843	/nfs/dbraw/zinc/23/68/43/958236843.db2.gz	IDEDLGYNYLJHLE-QWRGUYRKSA-N	-1	0	303.322	0.076	20	30		DCEDRM
C#CCN1CCC[C@H]1c1nnc(N2CC[C@@](C)(C(=O)[O-])C2)n1C	ZINC001588430834	958262950	/nfs/dbraw/zinc/26/29/50/958262950.db2.gz	PPBLIQQQOWJLLZ-BLLLJJGKSA-N	-1	0	317.393	0.886	20	30		DCEDRM
C#Cc1cnc(N2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)nc1	ZINC001588439147	958311408	/nfs/dbraw/zinc/31/14/08/958311408.db2.gz	HLXCTBVYPSFWJZ-STQMWFEESA-N	-1	0	311.345	0.886	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001361840798	958392758	/nfs/dbraw/zinc/39/27/58/958392758.db2.gz	FVPMRSVPAPJQID-UHFFFAOYSA-N	-1	0	310.321	0.344	20	30		DCEDRM
Cc1c(C#N)c(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)nn1C	ZINC001361886113	958448792	/nfs/dbraw/zinc/44/87/92/958448792.db2.gz	WXBZYQKKMAYAGX-UHFFFAOYSA-N	-1	0	316.365	0.927	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)C(=O)OC	ZINC001588457704	958454195	/nfs/dbraw/zinc/45/41/95/958454195.db2.gz	AWBLDLWMSKLLDK-VIFPVBQESA-N	-1	0	309.322	0.746	20	30		DCEDRM
COC(=O)[C@H]1CCN1C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC001361936543	958510154	/nfs/dbraw/zinc/51/01/54/958510154.db2.gz	NZYFOMSOWGMQBV-CYBMUJFWSA-N	-1	0	317.345	0.982	20	30		DCEDRM
COC(=O)[C@@H]1CCN1C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC001361936544	958512509	/nfs/dbraw/zinc/51/25/09/958512509.db2.gz	NZYFOMSOWGMQBV-ZDUSSCGKSA-N	-1	0	317.345	0.982	20	30		DCEDRM
C=CCn1c(N2CCC[C@H](C(=O)[O-])C2)nnc1[C@@]1(O)CCOC1	ZINC001588472312	958542378	/nfs/dbraw/zinc/54/23/78/958542378.db2.gz	MDEIWXOSNRYDEO-XHDPSFHLSA-N	-1	0	322.365	0.373	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001588478580	958568905	/nfs/dbraw/zinc/56/89/05/958568905.db2.gz	PMPVVMBWVGWQFJ-NEPJUHHUSA-N	-1	0	318.395	0.351	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001588479146	958578582	/nfs/dbraw/zinc/57/85/82/958578582.db2.gz	ZILWFSAYHRJLPX-JTQLQIEISA-N	-1	0	308.338	0.599	20	30		DCEDRM
N#Cc1cccc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c1	ZINC000126302426	958585096	/nfs/dbraw/zinc/58/50/96/958585096.db2.gz	QJUKSMJRXHVIJV-CYBMUJFWSA-N	-1	0	308.359	0.632	20	30		DCEDRM
N#CC1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCSCC1	ZINC001362087536	958715917	/nfs/dbraw/zinc/71/59/17/958715917.db2.gz	FJJKZVPOMPMFOE-VIFPVBQESA-N	-1	0	308.367	0.137	20	30		DCEDRM
COc1ncc(NC(=O)c2cc(C(=O)[O-])nn2C)cc1C#N	ZINC001594160627	958885149	/nfs/dbraw/zinc/88/51/49/958885149.db2.gz	SLHYLDPUQXXXNC-UHFFFAOYSA-N	-1	0	301.262	0.646	20	30		DCEDRM
CS[C@@H]1CC[C@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362186697	958896976	/nfs/dbraw/zinc/89/69/76/958896976.db2.gz	QCLNBGKNZFPQDS-WDEREUQCSA-N	-1	0	322.390	0.611	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1COc2ccccc2[C@@H]1O	ZINC001588538315	958941521	/nfs/dbraw/zinc/94/15/21/958941521.db2.gz	GTHPOKFJVIUJOD-RIEGTJTDSA-N	-1	0	304.302	0.602	20	30		DCEDRM
CC(=O)N1CC[C@H](CN(C)C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362223628	958956235	/nfs/dbraw/zinc/95/62/35/958956235.db2.gz	KYPIUWHTKNXZNI-GFCCVEGCSA-N	-1	0	316.361	0.908	20	30		DCEDRM
C[C@H](C#N)CNC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001588543683	958982068	/nfs/dbraw/zinc/98/20/68/958982068.db2.gz	QDRLXQMDNGTTBW-IJLUTSLNSA-N	-1	0	319.365	0.779	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(C(=O)C(=O)Nc1cccc(C#N)n1)C1CC1	ZINC001588582986	959273639	/nfs/dbraw/zinc/27/36/39/959273639.db2.gz	PFOUEALEXZDXHB-QMMMGPOBSA-N	-1	0	302.290	0.356	20	30		DCEDRM
CC[C@@H](CSC)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362422839	959329041	/nfs/dbraw/zinc/32/90/41/959329041.db2.gz	QXQYYWBEUIAIEP-JTQLQIEISA-N	-1	0	310.379	0.468	20	30		DCEDRM
N#Cc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)cnc1C(F)(F)F	ZINC001362501100	959478050	/nfs/dbraw/zinc/47/80/50/959478050.db2.gz	IGOHBFYKVRXEEM-UHFFFAOYSA-N	-1	0	314.183	0.359	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1(S(C)(=O)=O)CC1	ZINC001362502900	959481532	/nfs/dbraw/zinc/48/15/32/959481532.db2.gz	YELCQMFMOIXXSR-UHFFFAOYSA-N	-1	0	309.347	0.274	20	30		DCEDRM
Cc1nc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)ccc1C#N	ZINC001362522294	959516725	/nfs/dbraw/zinc/51/67/25/959516725.db2.gz	WWVUDQKGLGXOFD-LLVKDONJSA-N	-1	0	315.362	0.705	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001594253334	959632134	/nfs/dbraw/zinc/63/21/34/959632134.db2.gz	YKHBAJFMPYULBX-GFCCVEGCSA-N	-1	0	302.286	0.709	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cccc3c2CCO3)c(=O)[n-]c1=O	ZINC001362619283	959707698	/nfs/dbraw/zinc/70/76/98/959707698.db2.gz	IAXYHZQWAJNAKE-UHFFFAOYSA-N	-1	0	312.285	0.394	20	30		DCEDRM
Cc1c(C(=O)N(C)C[C@H](C)c2nnn[n-]2)cnn1CCC#N	ZINC001362618929	959709364	/nfs/dbraw/zinc/70/93/64/959709364.db2.gz	UCRQYYGJKISBIP-VIFPVBQESA-N	-1	0	302.342	0.494	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC001362648891	959764086	/nfs/dbraw/zinc/76/40/86/959764086.db2.gz	LTQHPRJVQTUIIJ-NSHDSACASA-N	-1	0	316.317	0.634	20	30		DCEDRM
CC[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC001362682525	959820195	/nfs/dbraw/zinc/82/01/95/959820195.db2.gz	GHWZHLRKFAUHPS-WDEREUQCSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CC(C)OCC(C)(C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362750179	959931148	/nfs/dbraw/zinc/93/11/48/959931148.db2.gz	GGCYQLNWFYXXHQ-UHFFFAOYSA-N	-1	0	308.338	0.140	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)Cc1cnn(C)c1	ZINC001362789211	959989965	/nfs/dbraw/zinc/98/99/65/959989965.db2.gz	NZMVNTHLBIMGKW-LBPRGKRZSA-N	-1	0	315.333	0.034	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@]23CCC(=O)N2CCS3)[n-]c1C#N	ZINC001362867101	960109331	/nfs/dbraw/zinc/10/93/31/960109331.db2.gz	TXHXORPQAJCIJA-GFCCVEGCSA-N	-1	0	302.319	0.157	20	30		DCEDRM
CCCCC[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC	ZINC001306993014	960139891	/nfs/dbraw/zinc/13/98/91/960139891.db2.gz	JUVQJUSQSVIOPW-SNVBAGLBSA-N	-1	0	308.338	0.479	20	30		DCEDRM
CC(NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)(C1CC1)C1CC1	ZINC001363004791	960286716	/nfs/dbraw/zinc/28/67/16/960286716.db2.gz	VGAVXEBRRBLXFD-UHFFFAOYSA-N	-1	0	316.361	0.906	20	30		DCEDRM
C[C@@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC001363037677	960329529	/nfs/dbraw/zinc/32/95/29/960329529.db2.gz	AKBPCSVKINCCKJ-SCZZXKLOSA-N	-1	0	308.363	0.221	20	30		DCEDRM
N#Cc1sccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363125777	960435978	/nfs/dbraw/zinc/43/59/78/960435978.db2.gz	BRFNXRJSFLMFRG-UHFFFAOYSA-N	-1	0	315.314	0.184	20	30		DCEDRM
C[C@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccsc1	ZINC001363130389	960442735	/nfs/dbraw/zinc/44/27/35/960442735.db2.gz	WSQUDOFKSQGNMQ-VIFPVBQESA-N	-1	0	318.358	0.802	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC001588668658	960489145	/nfs/dbraw/zinc/48/91/45/960489145.db2.gz	PLOACNSVUPJOCE-KGLIPLIRSA-N	-1	0	314.338	0.200	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC(c3ncc(C4CC4)cn3)C2)c(C#N)c1=O	ZINC001363164371	960514405	/nfs/dbraw/zinc/51/44/05/960514405.db2.gz	QCSWDGWZWCGSQM-UHFFFAOYSA-N	-1	0	324.344	0.216	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2cc(Cl)c3c(c2)OCCO3)c1=O	ZINC001363184175	960553671	/nfs/dbraw/zinc/55/36/71/960553671.db2.gz	IIIPOXSOQQWPES-UHFFFAOYSA-N	-1	0	319.704	0.881	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2(C(=O)[O-])CC2)C1	ZINC001588677770	960569871	/nfs/dbraw/zinc/56/98/71/960569871.db2.gz	MFSMCCYSONJWNP-VHSXEESVSA-N	-1	0	323.349	0.726	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCSC[C@@H]1CCO)cc2=O	ZINC001363203102	960593524	/nfs/dbraw/zinc/59/35/24/960593524.db2.gz	FFBHNCBRRKAMNA-LBPRGKRZSA-N	-1	0	319.390	0.606	20	30		DCEDRM
COC(=O)[C@](C)(NCc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1	ZINC001363219714	960635727	/nfs/dbraw/zinc/63/57/27/960635727.db2.gz	ZGOZTAQZAAAHFK-OAHLLOKOSA-N	-1	0	315.333	0.738	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cccc3c2OCC3)c(=O)[n-]c1=O	ZINC001363255221	960711427	/nfs/dbraw/zinc/71/14/27/960711427.db2.gz	JKZUXAHZOJKBNJ-UHFFFAOYSA-N	-1	0	312.285	0.394	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cncc(C(F)F)c2)c(=O)[n-]c1=O	ZINC001363283499	960781501	/nfs/dbraw/zinc/78/15/01/960781501.db2.gz	ZHXCGCCYZSYZIU-UHFFFAOYSA-N	-1	0	321.243	0.792	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C2CC3(CSC3)C2)c(=O)[n-]c1=O	ZINC001363284112	960786351	/nfs/dbraw/zinc/78/63/51/960786351.db2.gz	AYQPPJALRKFPQS-UHFFFAOYSA-N	-1	0	320.374	0.080	20	30		DCEDRM
Cc1cc(C)c(C#N)c(NC(=O)c2cn(CC(=O)[O-])nn2)n1	ZINC001574319998	960824019	/nfs/dbraw/zinc/82/40/19/960824019.db2.gz	YMZRBBYWDQOLJG-UHFFFAOYSA-N	-1	0	300.278	0.499	20	30		DCEDRM
N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nc1	ZINC001571071914	960903977	/nfs/dbraw/zinc/90/39/77/960903977.db2.gz	CIUGCIWIXHQNNG-KXNHARMFSA-N	-1	0	300.318	0.733	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC001571074279	960933626	/nfs/dbraw/zinc/93/36/26/960933626.db2.gz	IXKFFTIHIARKIS-HWUMTFDVSA-N	-1	0	301.368	0.164	20	30		DCEDRM
Cc1ccc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001363345328	960946938	/nfs/dbraw/zinc/94/69/38/960946938.db2.gz	PMDNNCNOZUGLJJ-UHFFFAOYSA-N	-1	0	302.290	0.429	20	30		DCEDRM
COC[C@@H](NC(=O)c1ccc(C#N)c(OC)c1)c1nnn[n-]1	ZINC001363418285	961118250	/nfs/dbraw/zinc/11/82/50/961118250.db2.gz	SQIBAVQUKDJEQY-SNVBAGLBSA-N	-1	0	302.294	0.197	20	30		DCEDRM
CC[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)N1CCO[C@H](CC)C1	ZINC001363467338	961217601	/nfs/dbraw/zinc/21/76/01/961217601.db2.gz	UHSKZBOWKDFJQK-ZWNOBZJWSA-N	-1	0	316.365	0.981	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)c1sccc1CC#N)C(=O)[O-]	ZINC001571103182	961256203	/nfs/dbraw/zinc/25/62/03/961256203.db2.gz	YADQDSXCULZLKA-YUMQZZPRSA-N	-1	0	309.347	0.522	20	30		DCEDRM
CC(C)[C@H](CO)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001571112688	961357520	/nfs/dbraw/zinc/35/75/20/961357520.db2.gz	QCNYXOWREJYYJS-NSHDSACASA-N	-1	0	312.347	0.552	20	30		DCEDRM
CC1(C)CO[C@@H](CCNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001363575397	961474300	/nfs/dbraw/zinc/47/43/00/961474300.db2.gz	GTXHPZXDCMDQGS-NSHDSACASA-N	-1	0	320.349	0.142	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)nc1	ZINC001571130605	961537634	/nfs/dbraw/zinc/53/76/34/961537634.db2.gz	FXHZPIGXIYWYND-CBAPKCEASA-N	-1	0	317.273	0.197	20	30		DCEDRM
N#Cc1sccc1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001571133563	961595902	/nfs/dbraw/zinc/59/59/02/961595902.db2.gz	TXEZHKIQKVQIFP-MRVPVSSYSA-N	-1	0	317.330	0.997	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c(F)c1	ZINC001571145253	961726807	/nfs/dbraw/zinc/72/68/07/961726807.db2.gz	PKQWXMGPRWCIIP-NSHDSACASA-N	-1	0	320.255	0.985	20	30		DCEDRM
CCOC(=O)c1c(NC(=O)COCC(=O)[O-])c(C#N)cn1CC	ZINC001571159302	961905007	/nfs/dbraw/zinc/90/50/07/961905007.db2.gz	FKSUPJKRVCOBJD-UHFFFAOYSA-N	-1	0	323.305	0.596	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(C#N)c(O)c1	ZINC001574055992	962181586	/nfs/dbraw/zinc/18/15/86/962181586.db2.gz	GKIRRJRERNEADB-UHFFFAOYSA-N	-1	0	306.274	0.354	20	30		DCEDRM
C[C@H]1CCC[C@@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)O1	ZINC001364045362	962363035	/nfs/dbraw/zinc/36/30/35/962363035.db2.gz	OWGBCYUGESHUMC-JQWIXIFHSA-N	-1	0	320.349	0.284	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2cc(Cl)ccn2)c(=O)[n-]c1=O	ZINC001364087577	962444992	/nfs/dbraw/zinc/44/49/92/962444992.db2.gz	GYTFSEUXXOGPQQ-UHFFFAOYSA-N	-1	0	319.708	0.185	20	30		DCEDRM
COC(=O)c1ccc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001364131652	962528584	/nfs/dbraw/zinc/52/85/84/962528584.db2.gz	DXNBDBJGAPCODE-UHFFFAOYSA-N	-1	0	301.258	0.524	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CNC(=O)[O-]	ZINC001573302558	962654664	/nfs/dbraw/zinc/65/46/64/962654664.db2.gz	CKFRLHKYISHNRQ-OLZOCXBDSA-N	-1	0	321.377	0.649	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N(CC)CCNc1ncc(C(=O)[O-])cn1	ZINC001573310772	962690626	/nfs/dbraw/zinc/69/06/26/962690626.db2.gz	CITXZWFDZMVRJA-NSHDSACASA-N	-1	0	320.349	0.474	20	30		DCEDRM
C=C(Br)CN(C)[C@@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573314193	962743439	/nfs/dbraw/zinc/74/34/39/962743439.db2.gz	ZOFSDINRKQSZOG-QMMMGPOBSA-N	-1	0	308.176	0.599	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573320695	962750995	/nfs/dbraw/zinc/75/09/95/962750995.db2.gz	DUHFMMWJUSCRLN-NWDGAFQWSA-N	-1	0	308.378	0.979	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-]	ZINC000274936596	962808521	/nfs/dbraw/zinc/80/85/21/962808521.db2.gz	DIZYGVANPUOYRQ-SNVBAGLBSA-N	-1	0	312.303	0.658	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)OC	ZINC001573332658	962838950	/nfs/dbraw/zinc/83/89/50/962838950.db2.gz	MPKJRTSEHQCTNF-NWDGAFQWSA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573338738	962878879	/nfs/dbraw/zinc/87/88/79/962878879.db2.gz	HJHMXFUIVQMJAJ-UWVGGRQHSA-N	-1	0	314.769	0.813	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC001573339369	962889248	/nfs/dbraw/zinc/88/92/48/962889248.db2.gz	RJYKMGFYAVIPSX-RYUDHWBXSA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NC(=O)CNC(=O)[O-])C1	ZINC001573339371	962889401	/nfs/dbraw/zinc/88/94/01/962889401.db2.gz	RKALURVYRGNFHA-SECBINFHSA-N	-1	0	317.773	0.750	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@H](CNC(=O)CNC(=O)[O-])C(C)C)C1	ZINC001573344125	962912374	/nfs/dbraw/zinc/91/23/74/962912374.db2.gz	OXKDMLFKLBUIGY-LLVKDONJSA-N	-1	0	311.382	0.867	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@H]1C[C@H](C)N(C(=O)CNC(=O)[O-])C1	ZINC001573346895	962943611	/nfs/dbraw/zinc/94/36/11/962943611.db2.gz	HKAIVJJUISPCKY-QWRGUYRKSA-N	-1	0	311.382	0.962	20	30		DCEDRM
C=CCCC1(C(=O)N2CC([C@H](C)NC(=O)CNC(=O)[O-])C2)CC1	ZINC001573358251	963024133	/nfs/dbraw/zinc/02/41/33/963024133.db2.gz	XGFMAQCXCPOZMD-NSHDSACASA-N	-1	0	323.393	0.964	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])nn1	ZINC001573360584	963039521	/nfs/dbraw/zinc/03/95/21/963039521.db2.gz	SIXTTWKOIIJEJW-SNVBAGLBSA-N	-1	0	324.337	0.190	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1cc2c(=O)[nH]c(C)cn2n1)C(=O)[O-]	ZINC001573365766	963055129	/nfs/dbraw/zinc/05/51/29/963055129.db2.gz	IBBMJPAUKBBBBM-JTQLQIEISA-N	-1	0	318.333	0.870	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H](S(C)(=O)=O)C1	ZINC001447365619	1013399962	/nfs/dbraw/zinc/39/99/62/1013399962.db2.gz	VHGWFRLDXCJLMD-NSHDSACASA-N	-1	0	323.374	0.617	20	30		DCEDRM
N#CCC1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1	ZINC001447581816	1013473685	/nfs/dbraw/zinc/47/36/85/1013473685.db2.gz	GKPSMFBIKGSDIW-UHFFFAOYSA-N	-1	0	311.349	0.841	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2nc(CC)no2)n1CC=C	ZINC001588426416	969881474	/nfs/dbraw/zinc/88/14/74/969881474.db2.gz	JDUFKSCSAZLPMJ-UHFFFAOYSA-N	-1	0	316.321	0.601	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)C(=O)OC	ZINC001448495232	1013932219	/nfs/dbraw/zinc/93/22/19/1013932219.db2.gz	MJZXPLDKFITEBJ-LLVKDONJSA-N	-1	0	319.317	0.441	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC000320285101	970642936	/nfs/dbraw/zinc/64/29/36/970642936.db2.gz	OUJOIAVONWOCLU-SECBINFHSA-N	-1	0	303.336	0.810	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(Cn2cc3c(c(C#N)c2=O)CCC3)C1	ZINC001603308357	972593803	/nfs/dbraw/zinc/59/38/03/972593803.db2.gz	JYVVLGOKGDQLHW-MRXNPFEDSA-N	-1	0	301.346	0.963	20	30		DCEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC001603320420	972635337	/nfs/dbraw/zinc/63/53/37/972635337.db2.gz	FSRJUWXTWCOSHY-OAHLLOKOSA-N	-1	0	302.334	0.982	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001605102262	972759170	/nfs/dbraw/zinc/75/91/70/972759170.db2.gz	RJHCGRKNDCBGED-LBPRGKRZSA-N	-1	0	302.286	0.709	20	30		DCEDRM
CC1CC(C#N)(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1	ZINC001603354806	972792217	/nfs/dbraw/zinc/79/22/17/972792217.db2.gz	LFTCNUCZUJVKJP-VTWZXRTESA-N	-1	0	307.350	0.508	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)ncc1C#N	ZINC001605194750	972921092	/nfs/dbraw/zinc/92/10/92/972921092.db2.gz	KMEHYHZFADNMDY-UHFFFAOYSA-N	-1	0	316.317	0.523	20	30		DCEDRM
Cn1c(Oc2ccc(CC(=O)[O-])cc2)c(C#N)c(=O)n(C)c1=O	ZINC001605473394	973586573	/nfs/dbraw/zinc/58/65/73/973586573.db2.gz	OKXNIFQINDMRGT-UHFFFAOYSA-N	-1	0	315.285	0.375	20	30		DCEDRM
CC[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001603549286	973610639	/nfs/dbraw/zinc/61/06/39/973610639.db2.gz	OQALTWXFRRLESC-ZDUSSCGKSA-N	-1	0	317.345	0.744	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(c2cc(C#N)ccc2[N+](=O)[O-])CCO1	ZINC001604563792	973619375	/nfs/dbraw/zinc/61/93/75/973619375.db2.gz	CINJNLRZKRARTN-AWEZNQCLSA-N	-1	0	321.289	0.773	20	30		DCEDRM
COCCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001604629838	973760597	/nfs/dbraw/zinc/76/05/97/973760597.db2.gz	LNKNYSKHJIHETD-RWSFTLGLSA-N	-1	0	319.365	0.853	20	30		DCEDRM
COCCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001604629839	973760997	/nfs/dbraw/zinc/76/09/97/973760997.db2.gz	LNKNYSKHJIHETD-UEKVPHQBSA-N	-1	0	319.365	0.853	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)C2	ZINC001605612186	973923929	/nfs/dbraw/zinc/92/39/29/973923929.db2.gz	JJDPHLXGGZVBQX-XJKSGUPXSA-N	-1	0	300.314	0.775	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)n1	ZINC001605617475	973933085	/nfs/dbraw/zinc/93/30/85/973933085.db2.gz	HALDZYOWDSEGCZ-UHFFFAOYSA-N	-1	0	324.296	0.906	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001605622883	973945054	/nfs/dbraw/zinc/94/50/54/973945054.db2.gz	HGZPJTPYPRKOCK-QMTHXVAHSA-N	-1	0	321.358	0.591	20	30		DCEDRM
N#Cc1nccc(N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)n1	ZINC001605625842	973950426	/nfs/dbraw/zinc/95/04/26/973950426.db2.gz	BRFZNFKNRPFMSA-SNVBAGLBSA-N	-1	0	315.333	0.250	20	30		DCEDRM
CCOC(=O)[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC12COC2	ZINC001603792157	974250477	/nfs/dbraw/zinc/25/04/77/974250477.db2.gz	IYUTVIPRNRGEMJ-IINYFYTJSA-N	-1	0	324.333	0.029	20	30		DCEDRM
CN(C)C(=O)OC1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC001604046107	974577551	/nfs/dbraw/zinc/57/75/51/974577551.db2.gz	RIWRFAMWJOTUDT-CQSZACIVSA-N	-1	0	311.338	0.680	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC000712786544	977594659	/nfs/dbraw/zinc/59/46/59/977594659.db2.gz	KZIJVQNHGFKANZ-UHFFFAOYSA-N	-1	0	303.380	0.541	20	30		DCEDRM
C[C@@](CC(=O)[O-])(NS(=O)(=O)CCCC#N)c1cccnc1	ZINC001592329794	977762450	/nfs/dbraw/zinc/76/24/50/977762450.db2.gz	MQWPHCVGFAOSOY-ZDUSSCGKSA-N	-1	0	311.363	0.995	20	30		DCEDRM
C[C@@H](CN(C1CC1)S(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001592593018	978523515	/nfs/dbraw/zinc/52/35/15/978523515.db2.gz	BSQTZVGEBZGWCG-VIFPVBQESA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@H](CNC(=O)CSCC#N)N(C)c1ncc(C(=O)[O-])cn1	ZINC001592653715	978634602	/nfs/dbraw/zinc/63/46/02/978634602.db2.gz	PAVPGXMWMBLPLA-SECBINFHSA-N	-1	0	323.378	0.372	20	30		DCEDRM
C[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccnc(C(=O)[O-])n1	ZINC001592697515	979153525	/nfs/dbraw/zinc/15/35/25/979153525.db2.gz	UMZAJEMSCYSSJI-MRVPVSSYSA-N	-1	0	314.305	0.027	20	30		DCEDRM
Cc1occc1C([O-])=C(C#N)C(=O)N1CCS(=O)(=O)CC1	ZINC001523842553	1014778336	/nfs/dbraw/zinc/77/83/36/1014778336.db2.gz	JLSPXRDDYUHJMX-NSHDSACASA-N	-1	0	310.331	0.168	20	30		DCEDRM
CCCCCCCNC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC001595704482	982275173	/nfs/dbraw/zinc/27/51/73/982275173.db2.gz	PZCSRHJKLLGJTM-VXGBXAGGSA-N	-1	0	314.382	0.774	20	30		DCEDRM
CCCN(CCNC(=O)[C@@H](C)C#N)c1ccnc(C(=O)[O-])n1	ZINC001595878374	982869613	/nfs/dbraw/zinc/86/96/13/982869613.db2.gz	ANVYRTYCBJVCGR-JTQLQIEISA-N	-1	0	305.338	0.667	20	30		DCEDRM
Cc1[nH]nc(S(=O)(=O)N2CCC[C@H](CC#N)C2)c1C(=O)[O-]	ZINC001574179875	983182910	/nfs/dbraw/zinc/18/29/10/983182910.db2.gz	YARREQLHTWDMNI-SECBINFHSA-N	-1	0	312.351	0.731	20	30		DCEDRM
O=C([O-])C1(NC(=O)CCNC(=O)C2N=CC=CC2=O)CCC1	ZINC001574806293	983278747	/nfs/dbraw/zinc/27/87/47/983278747.db2.gz	ZSCYPRPJMMDTPE-QXMHVHEDSA-N	-1	0	307.306	0.026	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1)[C@@H]1CCCO1	ZINC001588370839	983322573	/nfs/dbraw/zinc/32/25/73/983322573.db2.gz	OLDHWNASESKJIN-TUUUFIMRSA-N	-1	0	322.361	0.043	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1CCOCC1	ZINC001588372763	983333455	/nfs/dbraw/zinc/33/34/55/983333455.db2.gz	SEUVOYFAJIPKQF-CYBMUJFWSA-N	-1	0	319.361	0.815	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])[C@@H]1CCCO1	ZINC001588377905	983360089	/nfs/dbraw/zinc/36/00/89/983360089.db2.gz	RUROXFARDSJEMB-KGLIPLIRSA-N	-1	0	323.370	0.985	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC001588383773	983383724	/nfs/dbraw/zinc/38/37/24/983383724.db2.gz	KCPSQXVXXPBPBK-LSDHHAIUSA-N	-1	0	316.357	0.974	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC001588383823	983384418	/nfs/dbraw/zinc/38/44/18/983384418.db2.gz	LWXHFJWAATVQBI-QMMMGPOBSA-N	-1	0	301.345	0.469	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588393139	983396321	/nfs/dbraw/zinc/39/63/21/983396321.db2.gz	BXLYPMQHAQHDHO-QWHCGFSZSA-N	-1	0	312.366	0.282	20	30		DCEDRM
C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC001588393569	983398702	/nfs/dbraw/zinc/39/87/02/983398702.db2.gz	HTYJKHGFXHHWHO-JTQLQIEISA-N	-1	0	315.347	0.993	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC001588398169	983411096	/nfs/dbraw/zinc/41/10/96/983411096.db2.gz	FIFOZVNJSVEHTO-GXFFZTMASA-N	-1	0	323.370	0.786	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F)C(=O)[O-]	ZINC001588398445	983412567	/nfs/dbraw/zinc/41/25/67/983412567.db2.gz	JCPNQLHCEDRJHR-AEJSXWLSSA-N	-1	0	323.267	0.563	20	30		DCEDRM
C#CC[C@@H](NC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)C(=O)[O-]	ZINC001588405705	983422671	/nfs/dbraw/zinc/42/26/71/983422671.db2.gz	IFDLEXAXCZAQJC-ONRRBMGISA-N	-1	0	311.315	0.289	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCc1cc(OC)c(O)c(OC)c1)C(=O)[O-]	ZINC001588405936	983423449	/nfs/dbraw/zinc/42/34/49/983423449.db2.gz	VTEDWPSDURUSON-LLVKDONJSA-N	-1	0	321.329	0.935	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN(CC(F)(F)F)C1=O)C(=O)[O-]	ZINC001588406174	983424654	/nfs/dbraw/zinc/42/46/54/983424654.db2.gz	NCJULEIXAGYTNT-RKDXNWHRSA-N	-1	0	320.267	0.380	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)N1CC[C@H]2CCCC[C@@H]2C1)C(=O)[O-]	ZINC001588423354	983452388	/nfs/dbraw/zinc/45/23/88/983452388.db2.gz	DDRJDBASNYOZIR-UPJWGTAASA-N	-1	0	314.407	0.809	20	30		DCEDRM
C#CCC1(NC(=O)Nc2cc(C(=O)[O-])n(C)n2)CCOCC1	ZINC001588427870	983458609	/nfs/dbraw/zinc/45/86/09/983458609.db2.gz	PQBOYIKGCAPBJQ-UHFFFAOYSA-N	-1	0	306.322	0.812	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C)CC2)C(=O)[O-]	ZINC001588428397	983461697	/nfs/dbraw/zinc/46/16/97/983461697.db2.gz	NBNFRPZEIXSSHK-GFCCVEGCSA-N	-1	0	308.359	0.434	20	30		DCEDRM
C#CC[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC001588433979	983468513	/nfs/dbraw/zinc/46/85/13/983468513.db2.gz	FCCJTLMVMKSMCX-NSHDSACASA-N	-1	0	300.380	0.373	20	30		DCEDRM
C#CCCOc1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1	ZINC001588456145	983481792	/nfs/dbraw/zinc/48/17/92/983481792.db2.gz	ZZYAZUFIVFEAJZ-KGLIPLIRSA-N	-1	0	317.341	0.996	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588464873	983494995	/nfs/dbraw/zinc/49/49/95/983494995.db2.gz	RBFSYMSWTKYMIZ-SYQHCUMBSA-N	-1	0	316.357	0.087	20	30		DCEDRM
C#CCN1CCN(C(=O)COc2ccc(C(=O)[O-])c(C)c2)CC1	ZINC001588476797	983512908	/nfs/dbraw/zinc/51/29/08/983512908.db2.gz	GUXTZXVCBGOXGM-UHFFFAOYSA-N	-1	0	316.357	0.849	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NCCN(CC)c1ncc(C(=O)[O-])cn1	ZINC001588490537	983533123	/nfs/dbraw/zinc/53/31/23/983533123.db2.gz	OQLVHWPLKHGNRO-NSHDSACASA-N	-1	0	320.349	0.156	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC001588498823	983544302	/nfs/dbraw/zinc/54/43/02/983544302.db2.gz	IJFUTJFWFBHMOJ-OAHLLOKOSA-N	-1	0	322.292	0.891	20	30		DCEDRM
C#Cc1ccc(C(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])cc1	ZINC001588516634	983561554	/nfs/dbraw/zinc/56/15/54/983561554.db2.gz	UFHYHVZSNHJYGQ-UHFFFAOYSA-N	-1	0	315.285	0.713	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1Cn1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588536896	983596208	/nfs/dbraw/zinc/59/62/08/983596208.db2.gz	VKCFJTRKCTYOMU-YYHQMBLXSA-N	-1	0	319.365	0.421	20	30		DCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC001588536955	983596570	/nfs/dbraw/zinc/59/65/70/983596570.db2.gz	GKVIZLDOWNJSHL-SSDOTTSWSA-N	-1	0	306.365	0.447	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-]	ZINC001588537353	983599368	/nfs/dbraw/zinc/59/93/68/983599368.db2.gz	NHBGXMMULNBYBU-ONGXEEELSA-N	-1	0	306.322	0.298	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)Cn1cc([N+](=O)[O-])c(C(=O)[O-])n1	ZINC001596231510	983626808	/nfs/dbraw/zinc/62/68/08/983626808.db2.gz	ORBJPJFDFBSBID-QMMMGPOBSA-N	-1	0	309.282	0.498	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC001588553750	983628469	/nfs/dbraw/zinc/62/84/69/983628469.db2.gz	RGDWQYAUKLJADG-GHMZBOCLSA-N	-1	0	316.379	0.089	20	30		DCEDRM
C=C(C)COCCNC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588570023	983650645	/nfs/dbraw/zinc/65/06/45/983650645.db2.gz	SHWOCMMXFBUOSJ-QWRGUYRKSA-N	-1	0	314.338	0.094	20	30		DCEDRM
C=C(C)Cn1c(CCOC)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001588598147	983681800	/nfs/dbraw/zinc/68/18/00/983681800.db2.gz	SNMXZADIFAMRSK-GFCCVEGCSA-N	-1	0	324.381	0.723	20	30		DCEDRM
C=C(C)Cn1c(N2CC[C@H](C(=O)[O-])C2)nnc1[C@@]1(O)CCOC1	ZINC001588598911	983686984	/nfs/dbraw/zinc/68/69/84/983686984.db2.gz	RWRQORMZMKKYJZ-XHDPSFHLSA-N	-1	0	322.365	0.373	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1	ZINC001588615393	983711864	/nfs/dbraw/zinc/71/18/64/983711864.db2.gz	SNYHXLJJWVIZFG-GFCCVEGCSA-N	-1	0	323.393	0.219	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCSC[C@H]1CC(=O)OC	ZINC001588619278	983715847	/nfs/dbraw/zinc/71/58/47/983715847.db2.gz	POLOVVOUSAALLV-SNVBAGLBSA-N	-1	0	301.364	0.915	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cc(C)ncc1C#N	ZINC001596333384	983772470	/nfs/dbraw/zinc/77/24/70/983772470.db2.gz	QXIFSEPJICXRJN-QWHCGFSZSA-N	-1	0	316.361	0.925	20	30		DCEDRM
C=C1CN(C(=O)c2ccc(-n3[nH]c(CC(=O)[O-])cc3=O)cc2)C1	ZINC001588650913	983773447	/nfs/dbraw/zinc/77/34/47/983773447.db2.gz	SXPUCDCBAZZZLZ-UHFFFAOYSA-N	-1	0	313.313	0.805	20	30		DCEDRM
C=C[C@@H](C(=O)OC)n1cc(CN2CCCC[C@@H]2C(=O)[O-])nn1	ZINC001588671665	983821312	/nfs/dbraw/zinc/82/13/12/983821312.db2.gz	FHRFGLOCDJEESY-NWDGAFQWSA-N	-1	0	308.338	0.617	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@H](CC)Nc1ncc(C(=O)[O-])cn1	ZINC001588683908	983852983	/nfs/dbraw/zinc/85/29/83/983852983.db2.gz	GZWWJXWBHIQLJA-NHYWBVRUSA-N	-1	0	322.365	0.809	20	30		DCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC	ZINC001588692553	983883799	/nfs/dbraw/zinc/88/37/99/983883799.db2.gz	DMMHMXIVFFBKJH-JTQLQIEISA-N	-1	0	315.347	0.873	20	30		DCEDRM
C=C[C@H](OC(=O)CN1c2ccccc2OCCC1=O)C(=O)[O-]	ZINC001588710589	983933225	/nfs/dbraw/zinc/93/32/25/983933225.db2.gz	FPVWBLLCCNEAIJ-NSHDSACASA-N	-1	0	305.286	0.985	20	30		DCEDRM
C=C[C@H](OC(=O)c1sccc1S(=O)(=O)N(C)C)C(=O)[O-]	ZINC001588712461	983944478	/nfs/dbraw/zinc/94/44/78/983944478.db2.gz	LSLBPSLKWRKIRK-ZETCQYMHSA-N	-1	0	319.360	0.794	20	30		DCEDRM
C=C[C@H](OC(=O)c1cccc(S(=O)(=O)NCC)c1)C(=O)[O-]	ZINC001588713487	983949138	/nfs/dbraw/zinc/94/91/38/983949138.db2.gz	WQWRCNLNPRUYKD-NSHDSACASA-N	-1	0	313.331	0.781	20	30		DCEDRM
C=CC[C@@H](Sc1nnc(-c2n[nH]c3c2CCC3)n1N)C(=O)[O-]	ZINC001588762481	984116143	/nfs/dbraw/zinc/11/61/43/984116143.db2.gz	JZZORWDCMLYXQZ-SECBINFHSA-N	-1	0	320.378	0.992	20	30		DCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)Nc2nn(C)cc2C(=O)[O-])C1	ZINC001588770763	984136326	/nfs/dbraw/zinc/13/63/26/984136326.db2.gz	GGQFXFXQFQSZFD-JTQLQIEISA-N	-1	0	320.349	0.872	20	30		DCEDRM
CCN1CCO[C@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001596442490	984137575	/nfs/dbraw/zinc/13/75/75/984137575.db2.gz	MGFJBCFLQUHRJA-UONOGXRCSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588782303	984171009	/nfs/dbraw/zinc/17/10/09/984171009.db2.gz	BVBZMOBCICEADK-RYUDHWBXSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)C)C(=O)[O-]	ZINC001588787775	984188894	/nfs/dbraw/zinc/18/88/94/984188894.db2.gz	YDCPWGIUAPNVHK-GHMZBOCLSA-N	-1	0	320.411	0.486	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)CCN1CCOC1=O)C(=O)[O-]	ZINC001588798005	984232985	/nfs/dbraw/zinc/23/29/85/984232985.db2.gz	QVDXMVVWXZAWEA-SNVBAGLBSA-N	-1	0	320.367	0.168	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2ccc(C(=O)[O-])cn2)CC1	ZINC001588844724	984359165	/nfs/dbraw/zinc/35/91/65/984359165.db2.gz	QEXWJCAXEYDIPY-UHFFFAOYSA-N	-1	0	318.377	0.200	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1	ZINC001588849810	984375671	/nfs/dbraw/zinc/37/56/71/984375671.db2.gz	KAKADHDQJALFDA-QMMMGPOBSA-N	-1	0	302.308	0.338	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC001588850829	984380399	/nfs/dbraw/zinc/38/03/99/984380399.db2.gz	GZJOOOHSQDSSAY-GFCCVEGCSA-N	-1	0	317.297	0.539	20	30		DCEDRM
C=CCOCC(=O)NC[C@H](C)N(C)c1ncc(C(=O)[O-])cn1	ZINC001588850899	984381293	/nfs/dbraw/zinc/38/12/93/984381293.db2.gz	JWYPZQMYLRMJJU-JTQLQIEISA-N	-1	0	308.338	0.318	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCc1nc2cccnc2[nH]1)C(=O)[O-]	ZINC001588853988	984387959	/nfs/dbraw/zinc/38/79/59/984387959.db2.gz	NGZYARDKWRRKKL-LLVKDONJSA-N	-1	0	318.333	0.663	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CC(c2cccnc2)=NO1)C(=O)[O-]	ZINC001588855670	984394207	/nfs/dbraw/zinc/39/42/07/984394207.db2.gz	NPDUNJVHPMQPHH-OLZOCXBDSA-N	-1	0	319.317	0.347	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)[O-]	ZINC001588856397	984399524	/nfs/dbraw/zinc/39/95/24/984399524.db2.gz	YTSIQCROKMVLTM-JTQLQIEISA-N	-1	0	319.379	0.116	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cn2nccc2nc1C)C(=O)[O-]	ZINC001588859982	984409751	/nfs/dbraw/zinc/40/97/51/984409751.db2.gz	DNYMANXCDUUAJZ-NSHDSACASA-N	-1	0	304.306	0.423	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccnc(-n2cncn2)c1)C(=O)[O-]	ZINC001588862212	984417452	/nfs/dbraw/zinc/41/74/52/984417452.db2.gz	RVJPIJJSRFNJJL-NSHDSACASA-N	-1	0	317.305	0.048	20	30		DCEDRM
C=CCOC[C@H](NCc1ncc(C(=O)OC)s1)C(=O)[O-]	ZINC001588865924	984421394	/nfs/dbraw/zinc/42/13/94/984421394.db2.gz	FAYWAQJBOPHIBQ-QMMMGPOBSA-N	-1	0	300.336	0.675	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)NCc1ccc(C(=O)[O-])s1	ZINC001588869116	984438279	/nfs/dbraw/zinc/43/82/79/984438279.db2.gz	SFIZRSGNPFDREG-UHFFFAOYSA-N	-1	0	312.347	0.381	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC001588879250	984457255	/nfs/dbraw/zinc/45/72/55/984457255.db2.gz	XUCZEQQFLHOFMY-NXEZZACHSA-N	-1	0	300.380	0.343	20	30		DCEDRM
C=CCn1c([C@H](CC)CO)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588896501	984502003	/nfs/dbraw/zinc/50/20/03/984502003.db2.gz	RPFJCBNHEPQMBW-ABAIWWIYSA-N	-1	0	324.381	0.630	20	30		DCEDRM
C=CCn1c(COCCOC)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588900699	984521722	/nfs/dbraw/zinc/52/17/22/984521722.db2.gz	LOCANFYNOZKAOR-LLVKDONJSA-N	-1	0	310.354	0.538	20	30		DCEDRM
C=CCn1cnn(CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c1=S	ZINC001588909370	984543515	/nfs/dbraw/zinc/54/35/15/984543515.db2.gz	RFYJRRREXWUMDB-CYBMUJFWSA-N	-1	0	323.378	0.863	20	30		DCEDRM
C=CCn1nnnc1N1C[C@H](C(=O)[O-])Oc2cc(F)ccc21	ZINC001588913140	984554384	/nfs/dbraw/zinc/55/43/84/984554384.db2.gz	ZQSFGWVQHXSORQ-LLVKDONJSA-N	-1	0	305.269	0.982	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O	ZINC001588916427	984560541	/nfs/dbraw/zinc/56/05/41/984560541.db2.gz	MCQWUAWYOIFMQM-USZNOCQGSA-N	-1	0	308.334	0.705	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC001588916742	984562916	/nfs/dbraw/zinc/56/29/16/984562916.db2.gz	CBPPPXSPFDDDQU-MNOVXSKESA-N	-1	0	312.347	0.792	20	30		DCEDRM
CC#CCCCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC001588924869	984584176	/nfs/dbraw/zinc/58/41/76/984584176.db2.gz	GQLQTZRVHZKGRB-NSHDSACASA-N	-1	0	301.364	0.280	20	30		DCEDRM
CC#CCCNC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588926893	984594461	/nfs/dbraw/zinc/59/44/61/984594461.db2.gz	BMLQPCANAPOVDR-LLVKDONJSA-N	-1	0	305.338	0.736	20	30		DCEDRM
CC#CCCNC(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001588927143	984597252	/nfs/dbraw/zinc/59/72/52/984597252.db2.gz	ONTYLLAYPVLJRR-UHFFFAOYSA-N	-1	0	323.374	0.973	20	30		DCEDRM
C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)CSCC#N	ZINC001599891715	984702666	/nfs/dbraw/zinc/70/26/66/984702666.db2.gz	RQOZEVFYMYWCNH-MRVPVSSYSA-N	-1	0	309.351	0.348	20	30		DCEDRM
CCOCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC001596916841	985953082	/nfs/dbraw/zinc/95/30/82/985953082.db2.gz	MJASFOUHGBUHRD-WOPDTQHZSA-N	-1	0	310.350	0.739	20	30		DCEDRM
C[C@@H](C#N)C(=O)N(C)C1CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001589323847	986151007	/nfs/dbraw/zinc/15/10/07/986151007.db2.gz	PAJOYTCXIFDIPG-JTQLQIEISA-N	-1	0	317.349	0.762	20	30		DCEDRM
C[C@H](C#N)C(=O)N(C)[C@H](CNc1ncc(C(=O)[O-])cn1)C1CC1	ZINC001589323923	986152442	/nfs/dbraw/zinc/15/24/42/986152442.db2.gz	RHFCBYWOVYRQMB-BXKDBHETSA-N	-1	0	317.349	0.983	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001589329076	986161103	/nfs/dbraw/zinc/16/11/03/986161103.db2.gz	IGJDSXBZOICQJY-JTQLQIEISA-N	-1	0	303.318	0.870	20	30		DCEDRM
C[C@@H](C#N)CN(C1CC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001589330400	986172578	/nfs/dbraw/zinc/17/25/78/986172578.db2.gz	CQLKTUQAMFWTTD-VIFPVBQESA-N	-1	0	312.351	0.280	20	30		DCEDRM
C[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)[C@H](C)S(C)(=O)=O	ZINC001589345693	986280348	/nfs/dbraw/zinc/28/03/48/986280348.db2.gz	FQFLZJBLCPPYTE-ZJUUUORDSA-N	-1	0	316.379	0.273	20	30		DCEDRM
C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21)n1cnc(C#N)n1	ZINC001589346133	986285280	/nfs/dbraw/zinc/28/52/80/986285280.db2.gz	LXNUNXDAQXHLCG-NOOOWODRSA-N	-1	0	317.349	0.813	20	30		DCEDRM
CCC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCOCC1	ZINC001450683700	1015296655	/nfs/dbraw/zinc/29/66/55/1015296655.db2.gz	NXXGSHBGTCDKQC-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](CNC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001387221812	987715339	/nfs/dbraw/zinc/71/53/39/987715339.db2.gz	AIELIWWIJCOJRT-PSASIEDQSA-N	-1	0	305.338	0.162	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001589684938	987724552	/nfs/dbraw/zinc/72/45/52/987724552.db2.gz	RHUBXCCETZQLFE-LLVKDONJSA-N	-1	0	316.361	0.919	20	30		DCEDRM
C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001599837735	988771933	/nfs/dbraw/zinc/77/19/33/988771933.db2.gz	QRDHMFDQUPRSSS-KOLCDFICSA-N	-1	0	301.302	0.500	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)C[C@H]1C(=O)[O-]	ZINC001599848809	988979395	/nfs/dbraw/zinc/97/93/95/988979395.db2.gz	BOYVWEAMDMMHHJ-IJLUTSLNSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2cccc(C#CCO)c2)C[C@@H](C(=O)[O-])O1	ZINC001599863325	989205030	/nfs/dbraw/zinc/20/50/30/989205030.db2.gz	CMPDDYOBESWWFN-RISCZKNCSA-N	-1	0	303.314	0.345	20	30		DCEDRM
CCn1cc(CNc2ccc(C(=O)[O-])nc2C#N)c(=O)[nH]c1=O	ZINC001597890632	989745354	/nfs/dbraw/zinc/74/53/54/989745354.db2.gz	MUUDASUNUQYCGG-UHFFFAOYSA-N	-1	0	315.289	0.546	20	30		DCEDRM
CN(C(=O)COC(=O)c1cccc(C(=O)[O-])n1)C(C)(C)C#N	ZINC001598028914	990243571	/nfs/dbraw/zinc/24/35/71/990243571.db2.gz	LZNGMQLQGGRYJA-UHFFFAOYSA-N	-1	0	305.290	0.697	20	30		DCEDRM
CC(C)(CCC#N)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001590655750	990350589	/nfs/dbraw/zinc/35/05/89/990350589.db2.gz	ABBZGZIXJUNSNN-UHFFFAOYSA-N	-1	0	317.411	0.947	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H](C)CCNc1ccnc(C(=O)[O-])n1	ZINC001590927112	990930912	/nfs/dbraw/zinc/93/09/12/990930912.db2.gz	RZFQUHITEHHSGH-LLVKDONJSA-N	-1	0	304.350	0.563	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@@H]1CCCN1c1ccnc(C(=O)[O-])n1	ZINC001590928207	990940642	/nfs/dbraw/zinc/94/06/42/990940642.db2.gz	WPOOWUOCBUEIEB-LBPRGKRZSA-N	-1	0	316.361	0.919	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001590961686	991060597	/nfs/dbraw/zinc/06/05/97/991060597.db2.gz	WFFDFUYQJDMQLD-HNNXBMFYSA-N	-1	0	319.365	0.520	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1	ZINC001598287229	991186121	/nfs/dbraw/zinc/18/61/21/991186121.db2.gz	DCPJMAASBPHJCE-ZIAGYGMSSA-N	-1	0	317.345	0.674	20	30		DCEDRM
CN(CC1(C)COC1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598441697	991856255	/nfs/dbraw/zinc/85/62/55/991856255.db2.gz	HYVMUUSWVGMRTR-UHFFFAOYSA-N	-1	0	324.358	0.913	20	30		DCEDRM
CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001598485386	992198401	/nfs/dbraw/zinc/19/84/01/992198401.db2.gz	RSZXXNDRXFJBQA-CHWSQXEVSA-N	-1	0	302.334	0.569	20	30		DCEDRM
CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001598485390	992198979	/nfs/dbraw/zinc/19/89/79/992198979.db2.gz	RSZXXNDRXFJBQA-STQMWFEESA-N	-1	0	302.334	0.569	20	30		DCEDRM
CC(C)CS(=O)(=O)CCC(=O)N(CC#N)CCC(=O)[O-]	ZINC001591417805	992500289	/nfs/dbraw/zinc/50/02/89/992500289.db2.gz	QLQOVKZOYKMHGV-UHFFFAOYSA-N	-1	0	304.368	0.274	20	30		DCEDRM
COc1ccc(S(=O)(=O)N2CC(C)(C#N)C2)c(CC(=O)[O-])c1	ZINC001599608345	993917696	/nfs/dbraw/zinc/91/76/96/993917696.db2.gz	MMTODOIDDCFSCY-UHFFFAOYSA-N	-1	0	324.358	0.856	20	30		DCEDRM
CNC(=O)Cc1nc(CN2CCC(C#N)(C(=O)[O-])CC2)cs1	ZINC001598648480	994406395	/nfs/dbraw/zinc/40/63/95/994406395.db2.gz	KTPXCAHGAFTVED-UHFFFAOYSA-N	-1	0	322.390	0.622	20	30		DCEDRM
CNS(=O)(=O)C[C@H]1CCCN1c1ccc(C(=O)[O-])nc1C#N	ZINC001598670503	994748614	/nfs/dbraw/zinc/74/86/14/994748614.db2.gz	FZZKXIMQAXRBFN-SECBINFHSA-N	-1	0	324.362	0.169	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)cn1	ZINC001598753685	995687546	/nfs/dbraw/zinc/68/75/46/995687546.db2.gz	QYPWYGYFTMBTBX-JQWIXIFHSA-N	-1	0	317.301	0.432	20	30		DCEDRM
C=C(C)CCC(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1	ZINC001502570714	1015975847	/nfs/dbraw/zinc/97/58/47/1015975847.db2.gz	PSJXBMCXHYCABQ-OAHLLOKOSA-N	-1	0	323.397	0.310	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Nc2cccc(F)c2)c(=O)[n-]c1=O	ZINC001465196546	1015986442	/nfs/dbraw/zinc/98/64/42/1015986442.db2.gz	QNVOEVWRLJQZHI-UHFFFAOYSA-N	-1	0	317.280	0.781	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccnc(C#N)c2)C1	ZINC001598780282	995976290	/nfs/dbraw/zinc/97/62/90/995976290.db2.gz	RKPVNUZPEYCWCC-JQWIXIFHSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(Cc2nc(C#N)cs2)C1	ZINC001598781510	995989487	/nfs/dbraw/zinc/98/94/87/995989487.db2.gz	XDJLMQYZYUYCFF-WPRPVWTQSA-N	-1	0	309.347	0.853	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)Nc2ccnc(C#N)c2)C[C@@H]1C(=O)[O-]	ZINC001598814356	996256950	/nfs/dbraw/zinc/25/69/50/996256950.db2.gz	KQXVZLWPSYEGRU-QWRGUYRKSA-N	-1	0	318.289	0.291	20	30		DCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)CCO1	ZINC001593743122	996365615	/nfs/dbraw/zinc/36/56/15/996365615.db2.gz	KDTGGXCTIOSNCK-GFCCVEGCSA-N	-1	0	316.379	0.576	20	30		DCEDRM
C[C@]1(C#N)CN(CN2Cc3ccc(C(=O)[O-])cc3C2=O)CCO1	ZINC001593743505	996369233	/nfs/dbraw/zinc/36/92/33/996369233.db2.gz	REDSRFSSMVBOKL-INIZCTEOSA-N	-1	0	315.329	0.913	20	30		DCEDRM
COC(=O)[C@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC001598827940	996404313	/nfs/dbraw/zinc/40/43/13/996404313.db2.gz	OREHUFUOTHEGDI-UWVGGRQHSA-N	-1	0	319.273	0.776	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1	ZINC001593761910	996425800	/nfs/dbraw/zinc/42/58/00/996425800.db2.gz	FWIVSJOHWKZMRR-ABAIWWIYSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC(CC#N)CC2)C1	ZINC001593762402	996429907	/nfs/dbraw/zinc/42/99/07/996429907.db2.gz	LGCJUWIDRYNKPP-MRXNPFEDSA-N	-1	0	321.377	0.852	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1s[n-]c(=O)c1Cl	ZINC001466320123	1016065110	/nfs/dbraw/zinc/06/51/10/1016065110.db2.gz	PYMWRWIBDITLGZ-UHFFFAOYSA-N	-1	0	310.784	0.833	20	30		DCEDRM
COCc1cc(C(=O)[O-])cc(S(=O)(=O)N(CC#N)CC#N)c1	ZINC001599279666	996874138	/nfs/dbraw/zinc/87/41/38/996874138.db2.gz	PMUTZJZVPCXMOZ-UHFFFAOYSA-N	-1	0	323.330	0.569	20	30		DCEDRM
COCC1(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCC1	ZINC001599201440	997314247	/nfs/dbraw/zinc/31/42/47/997314247.db2.gz	HNKYUVZLNTZZHG-UHFFFAOYSA-N	-1	0	316.379	0.576	20	30		DCEDRM
COC[C@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C[C@H](C)O1	ZINC001466970055	1016129065	/nfs/dbraw/zinc/12/90/65/1016129065.db2.gz	QKIXOEWKLBEZKD-CMPLNLGQSA-N	-1	0	305.334	0.843	20	30		DCEDRM
COC(=O)c1cc(C#N)c(=O)n(C[C@@H]2CC(C(=O)[O-])=C(C)O2)c1	ZINC001598919088	997531096	/nfs/dbraw/zinc/53/10/96/997531096.db2.gz	SNJMVQKWTAGMGF-NSHDSACASA-N	-1	0	318.285	0.654	20	30		DCEDRM
COc1c(C#N)ccc(=O)n1CC(=O)N1CCC(C(=O)[O-])CC1	ZINC001599329157	997717172	/nfs/dbraw/zinc/71/71/72/997717172.db2.gz	ZWAVLFMEMXZVDU-UHFFFAOYSA-N	-1	0	319.317	0.052	20	30		DCEDRM
COC[C@@](C)(NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC001599155529	998365997	/nfs/dbraw/zinc/36/59/97/998365997.db2.gz	VTRVKNRAXDILIK-GFCCVEGCSA-N	-1	0	318.395	0.870	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC001594139909	998429069	/nfs/dbraw/zinc/42/90/69/998429069.db2.gz	CWGZGIUUZAYLOE-SCZZXKLOSA-N	-1	0	319.292	0.957	20	30		DCEDRM
N#C[C@@H](CO)NC(=O)c1cc(Br)c(F)cc1[O-]	ZINC001468043620	1016217084	/nfs/dbraw/zinc/21/70/84/1016217084.db2.gz	OXJPKJQHHOSTRU-YFKPBYRVSA-N	-1	0	303.087	0.908	20	30		DCEDRM
COC[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)[O-]	ZINC001599165871	998541133	/nfs/dbraw/zinc/54/11/33/998541133.db2.gz	HIIRMQUPLFQQRX-GFCCVEGCSA-N	-1	0	306.293	0.945	20	30		DCEDRM
C[C@H]1C[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c2ncnn21	ZINC001594253623	998976552	/nfs/dbraw/zinc/97/65/52/998976552.db2.gz	RJEWIFUJTJTVCJ-VHSXEESVSA-N	-1	0	318.337	0.684	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001468843958	1016284993	/nfs/dbraw/zinc/28/49/93/1016284993.db2.gz	GNZMXCBQVBWBAR-UHFFFAOYSA-N	-1	0	315.333	0.936	20	30		DCEDRM
COC(CN(CCC(=O)[O-])C(=O)c1cc(C#N)[nH]c1C)OC	ZINC001599045407	999147030	/nfs/dbraw/zinc/14/70/30/999147030.db2.gz	LHZLGANQJZBOAP-UHFFFAOYSA-N	-1	0	309.322	0.731	20	30		DCEDRM
CC1(C)CC[C@@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001470361037	1016425575	/nfs/dbraw/zinc/42/55/75/1016425575.db2.gz	NRQDQIVIYHPXCK-SNVBAGLBSA-N	-1	0	304.350	0.763	20	30		DCEDRM
CN1CCO[C@H](CS(=O)(=O)[N-]c2cccc(CC#N)n2)C1	ZINC001424740937	1001964918	/nfs/dbraw/zinc/96/49/18/1001964918.db2.gz	DIJFVPQPONIAFV-LBPRGKRZSA-N	-1	0	310.379	0.220	20	30		DCEDRM
COC[C@H](NC(=O)CCc1ccc(C#N)cc1)c1nnn[n-]1	ZINC001471844195	1016667021	/nfs/dbraw/zinc/66/70/21/1016667021.db2.gz	VVZNJJFFOMKPDC-LBPRGKRZSA-N	-1	0	300.322	0.508	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H](CNC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001428372745	1003896672	/nfs/dbraw/zinc/89/66/72/1003896672.db2.gz	YFGZIFYDBHUKHA-GXSJLCMTSA-N	-1	0	319.365	0.552	20	30		DCEDRM
CC(=O)Nc1ccc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001472648004	1016845189	/nfs/dbraw/zinc/84/51/89/1016845189.db2.gz	POCRGRGVEJGJNC-UHFFFAOYSA-N	-1	0	300.274	0.696	20	30		DCEDRM
Cc1ccc2c(c1)nc(CNc1[n-]c(=O)n(C)c(=O)c1C#N)n2C	ZINC001472761749	1016852085	/nfs/dbraw/zinc/85/20/85/1016852085.db2.gz	MHAKANXZLSTXSG-UHFFFAOYSA-N	-1	0	324.344	0.753	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cc(F)c(C#N)c(F)c2)c(C#N)c1=O	ZINC001472820512	1016858617	/nfs/dbraw/zinc/85/86/17/1016858617.db2.gz	MLTLPQDXHSVMRW-UHFFFAOYSA-N	-1	0	317.255	0.707	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCc3ccccc3[C@@H]2CO)c(C#N)c1=O	ZINC001472784552	1016856576	/nfs/dbraw/zinc/85/65/76/1016856576.db2.gz	ILDFBMFMXNHVCE-ZDUSSCGKSA-N	-1	0	312.329	0.041	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)CN1CCOCC1	ZINC001417610772	1005851085	/nfs/dbraw/zinc/85/10/85/1005851085.db2.gz	GOQBDFQVHDTPRS-LLVKDONJSA-N	-1	0	304.350	0.418	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](C)[S@](=O)CC1	ZINC001417712291	1005873746	/nfs/dbraw/zinc/87/37/46/1005873746.db2.gz	CQNQGUNTQZBSRV-CHNSCGDPSA-N	-1	0	307.375	0.950	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](C)[S@@](=O)CC1	ZINC001417712294	1005873973	/nfs/dbraw/zinc/87/39/73/1005873973.db2.gz	CQNQGUNTQZBSRV-CWKPULSASA-N	-1	0	307.375	0.950	20	30		DCEDRM
CO[C@H]1COCC[C@@H]1CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417877606	1005912588	/nfs/dbraw/zinc/91/25/88/1005912588.db2.gz	JAIRIPHIIIGGMT-PWSUYJOCSA-N	-1	0	305.334	0.749	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2(C(F)F)CCCC2)c(=O)[n-]c1=O	ZINC001417886540	1005915419	/nfs/dbraw/zinc/91/54/19/1005915419.db2.gz	VIPYVYGRHWBISQ-UHFFFAOYSA-N	-1	0	312.276	0.515	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c(=O)[n-]c1=O	ZINC001434811981	1005999108	/nfs/dbraw/zinc/99/91/08/1005999108.db2.gz	MLUVUQPAEVDVPS-ADEWGFFLSA-N	-1	0	317.349	0.308	20	30		DCEDRM
N#Cc1cccc2c1CCN2C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001433508703	1008874945	/nfs/dbraw/zinc/87/49/45/1008874945.db2.gz	NLDZBXOHWOCQBD-UHFFFAOYSA-N	-1	0	320.312	0.532	20	30		DCEDRM
CCc1nnc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001433619906	1009011466	/nfs/dbraw/zinc/01/14/66/1009011466.db2.gz	GSZMDNVYNVGRIA-UHFFFAOYSA-N	-1	0	320.334	0.263	20	30		DCEDRM
C=CCCO[N-]C(=O)CN1C(=O)c2ccccc2S1(=O)=O	ZINC001454240906	1009019362	/nfs/dbraw/zinc/01/93/62/1009019362.db2.gz	UXFIKJRJNBJBGB-UHFFFAOYSA-N	-1	0	310.331	0.455	20	30		DCEDRM
CS[C@H]1CCC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001433705601	1009100147	/nfs/dbraw/zinc/10/01/47/1009100147.db2.gz	VWWHSGIXRZFQBL-MNOVXSKESA-N	-1	0	322.390	0.611	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC1(C2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1	ZINC001442270106	1009147720	/nfs/dbraw/zinc/14/77/20/1009147720.db2.gz	BSPMZPJCNGVQPE-JTQLQIEISA-N	-1	0	318.381	0.531	20	30		DCEDRM
CC1(C)SC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001433933944	1009366015	/nfs/dbraw/zinc/36/60/15/1009366015.db2.gz	WPFDMIGHQYTZAA-SECBINFHSA-N	-1	0	308.363	0.221	20	30		DCEDRM
C[C@]1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1(F)F	ZINC001434186884	1009644302	/nfs/dbraw/zinc/64/43/02/1009644302.db2.gz	BYQCNGWXJJZOIP-GFCCVEGCSA-N	-1	0	312.276	0.372	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@H]2CCCC23CC3)c(=O)[n-]c1=O	ZINC001434248933	1009695855	/nfs/dbraw/zinc/69/58/55/1009695855.db2.gz	RTXNTRDTEZSTQE-GFCCVEGCSA-N	-1	0	316.361	0.907	20	30		DCEDRM
C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434280885	1009720260	/nfs/dbraw/zinc/72/02/60/1009720260.db2.gz	CODPFHUAPHHJBD-XHSYRHOGSA-N	-1	0	320.349	0.139	20	30		DCEDRM
C=CCCn1cc(C(=O)NC(CC)(CC)c2nnn[n-]2)nn1	ZINC001556494769	1012210644	/nfs/dbraw/zinc/21/06/44/1012210644.db2.gz	DOHHPIBOODRNEI-UHFFFAOYSA-N	-1	0	304.358	0.813	20	30		DCEDRM
CC(C)CN(Cc1nnn[n-]1)C(=O)c1cccc(C#CCO)c1	ZINC001558163232	1012325365	/nfs/dbraw/zinc/32/53/65/1012325365.db2.gz	JQRJIMCQCOUVSC-UHFFFAOYSA-N	-1	0	313.361	0.842	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)c1c[n-]n2c1nccc2=O	ZINC001543729952	1012522710	/nfs/dbraw/zinc/52/27/10/1012522710.db2.gz	ZHLFIRFDGRWZDU-UHFFFAOYSA-N	-1	0	322.324	0.965	20	30		DCEDRM
C[C@H](NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O)c1ccc(F)cc1	ZINC001459134268	1012588848	/nfs/dbraw/zinc/58/88/48/1012588848.db2.gz	BQWWDHCTURPBHB-VIFPVBQESA-N	-1	0	316.292	0.425	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2ccc3c(c2)OCCO3)c1=O	ZINC001459138505	1012591342	/nfs/dbraw/zinc/59/13/42/1012591342.db2.gz	VMWCFDYDXFDKPD-UHFFFAOYSA-N	-1	0	313.269	0.062	20	30		DCEDRM
C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCN1Cc1n[nH]c(=O)[n-]1	ZINC001479706504	1017667443	/nfs/dbraw/zinc/66/74/43/1017667443.db2.gz	PMRJBXAWCVMXQT-MNOVXSKESA-N	-1	0	305.382	0.639	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001494740644	1017995593	/nfs/dbraw/zinc/99/55/93/1017995593.db2.gz	HFDNNLUJHLZZLK-MRVPVSSYSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C#Cc1ccc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)cn1	ZINC001496822549	1019670209	/nfs/dbraw/zinc/67/02/09/1019670209.db2.gz	WEVNRIOOEPQPTG-UHFFFAOYSA-N	-1	0	314.349	0.091	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)NCCC#N)c(C(=O)[O-])s1	ZINC001606569868	1170236579	/nfs/dbraw/zinc/23/65/79/1170236579.db2.gz	QTKISCGDFPABSG-UHFFFAOYSA-N	-1	0	318.332	0.425	20	30		DCEDRM
COCCn1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)cn1	ZINC000164983545	237115021	/nfs/dbraw/zinc/11/50/21/237115021.db2.gz	UIBRRWCHFXXVOI-UHFFFAOYSA-N	-1	0	307.335	0.597	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1	ZINC000422682635	240177583	/nfs/dbraw/zinc/17/75/83/240177583.db2.gz	KTXRFJFHWQRXCW-HNNXBMFYSA-N	-1	0	319.292	0.959	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000487434439	241081611	/nfs/dbraw/zinc/08/16/11/241081611.db2.gz	BPLTZBXCMZXBKN-SSDOTTSWSA-N	-1	0	323.334	0.359	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])cc1	ZINC000275229860	212211329	/nfs/dbraw/zinc/21/13/29/212211329.db2.gz	JIDFYHNGXMHGGU-SECBINFHSA-N	-1	0	304.274	0.945	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-]	ZINC000274989126	212060254	/nfs/dbraw/zinc/06/02/54/212060254.db2.gz	KOUZDDZDWXQCKZ-LBPRGKRZSA-N	-1	0	309.343	0.766	20	30		DCEDRM
C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@@H]1C(=O)[O-]	ZINC000572761963	291587850	/nfs/dbraw/zinc/58/78/50/291587850.db2.gz	OHEHRDPWIMOKJU-ONGXEEELSA-N	-1	0	316.317	0.461	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])[nH]1	ZINC000347720033	254182431	/nfs/dbraw/zinc/18/24/31/254182431.db2.gz	NNGWKNARVNUBCE-UHFFFAOYSA-N	-1	0	306.303	0.492	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000491372685	533284325	/nfs/dbraw/zinc/28/43/25/533284325.db2.gz	KNHXBHQNVULEIS-JTQLQIEISA-N	-1	0	310.375	0.736	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])cn1	ZINC000275320951	130304011	/nfs/dbraw/zinc/30/40/11/130304011.db2.gz	SGISZQVVPOJLLR-MRVPVSSYSA-N	-1	0	305.262	0.340	20	30		DCEDRM
COCCn1cc(S(=O)(=O)[N-]c2ncccc2C#N)cn1	ZINC000276146910	130446884	/nfs/dbraw/zinc/44/68/84/130446884.db2.gz	DGKCJSISUYPMDU-UHFFFAOYSA-N	-1	0	307.335	0.597	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(OCC(N)=O)cc2)[n-]c1C#N	ZINC000026270224	395694223	/nfs/dbraw/zinc/69/42/23/395694223.db2.gz	DUSSQFCOJWZONO-UHFFFAOYSA-N	-1	0	310.273	0.269	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)Cc1cccc(C#N)c1	ZINC000049606963	395833230	/nfs/dbraw/zinc/83/32/30/395833230.db2.gz	HTYKQFROYPAUEG-UHFFFAOYSA-N	-1	0	312.347	0.421	20	30		DCEDRM
C[C@@](CO)(CNS(=O)(=O)c1ccc(C#N)cc1)CC(=O)[O-]	ZINC000275747261	395986616	/nfs/dbraw/zinc/98/66/16/395986616.db2.gz	QKYBULDRIOHRDV-ZDUSSCGKSA-N	-1	0	312.347	0.310	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000071228466	396110736	/nfs/dbraw/zinc/11/07/36/396110736.db2.gz	NOLCMSBDTXEAEI-UHFFFAOYSA-N	-1	0	318.376	0.997	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000071238643	396111063	/nfs/dbraw/zinc/11/10/63/396111063.db2.gz	HGWDTQDDMWGQKL-UHFFFAOYSA-N	-1	0	316.310	0.419	20	30		DCEDRM
CCn1nc(C)c(S(=O)(=O)[N-]c2nn(C)cc2C#N)c1C	ZINC000267997211	396358818	/nfs/dbraw/zinc/35/88/18/396358818.db2.gz	LXELOCHZLZUNEB-UHFFFAOYSA-N	-1	0	308.367	0.926	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000290663015	396469325	/nfs/dbraw/zinc/46/93/25/396469325.db2.gz	OBWAVCBNFORBMI-CYBMUJFWSA-N	-1	0	309.347	0.829	20	30		DCEDRM
C[C@@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C(=O)[O-]	ZINC000594528090	396483804	/nfs/dbraw/zinc/48/38/04/396483804.db2.gz	JUOXJTRDPXQODL-JQWIXIFHSA-N	-1	0	318.333	0.837	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1)C(=O)[O-]	ZINC000594529855	396484334	/nfs/dbraw/zinc/48/43/34/396484334.db2.gz	MZDYQFSKIKPKPQ-NXEZZACHSA-N	-1	0	303.318	0.572	20	30		DCEDRM
CC(C)[C@H](CNC(=O)C(=O)N1CCC(C)(C#N)CC1)C(=O)[O-]	ZINC000594539018	396485786	/nfs/dbraw/zinc/48/57/86/396485786.db2.gz	MOKKXOXBLYYANS-NSHDSACASA-N	-1	0	309.366	0.612	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000594571915	396487422	/nfs/dbraw/zinc/48/74/22/396487422.db2.gz	FKCHVAZUHMAIHJ-AXFHLTTASA-N	-1	0	303.384	0.508	20	30		DCEDRM
N#CCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1	ZINC000581109593	396526739	/nfs/dbraw/zinc/52/67/39/396526739.db2.gz	CRMAMINTSRLQGK-CMPLNLGQSA-N	-1	0	302.352	0.043	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000595546387	396629094	/nfs/dbraw/zinc/62/90/94/396629094.db2.gz	HCVXTPZCKONLJV-LBPRGKRZSA-N	-1	0	313.317	0.884	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)n1	ZINC000595998887	396706043	/nfs/dbraw/zinc/70/60/43/396706043.db2.gz	ZRHSEWIFGIYXLW-GFCCVEGCSA-N	-1	0	311.301	0.360	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)n1	ZINC000589330442	396713626	/nfs/dbraw/zinc/71/36/26/396713626.db2.gz	JCTJLSOOHLVHOU-ZDUSSCGKSA-N	-1	0	305.301	0.986	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000563959915	396799456	/nfs/dbraw/zinc/79/94/56/396799456.db2.gz	KNCFPWBTQPESEQ-NSHDSACASA-N	-1	0	316.310	0.216	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CCO1	ZINC000597169255	396905071	/nfs/dbraw/zinc/90/50/71/396905071.db2.gz	TVVILYYIKIYECT-NSHDSACASA-N	-1	0	300.274	0.394	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000591350218	396905819	/nfs/dbraw/zinc/90/58/19/396905819.db2.gz	GHMSICPDIQCBSW-NWDGAFQWSA-N	-1	0	317.411	0.899	20	30		DCEDRM
C=CCN(C(=O)[C@@H]1CCC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000634869842	396926849	/nfs/dbraw/zinc/92/68/49/396926849.db2.gz	UZKNEEAPLIEWMZ-QJPTWQEYSA-N	-1	0	315.391	0.689	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC[C@H]1C(=O)[O-]	ZINC000600799377	396943780	/nfs/dbraw/zinc/94/37/80/396943780.db2.gz	VXURNEOVAIAFRC-UEKVPHQBSA-N	-1	0	307.350	0.318	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2CCCCNC2=O)cc1C#N	ZINC000339890129	396962070	/nfs/dbraw/zinc/96/20/70/396962070.db2.gz	LANWESJUIDEPQG-JTQLQIEISA-N	-1	0	320.374	0.779	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C(=O)OC	ZINC000597604835	397029768	/nfs/dbraw/zinc/02/97/68/397029768.db2.gz	LBOODFPDUYFUIC-VIFPVBQESA-N	-1	0	321.289	0.402	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cncnc2-n2cccn2)o1	ZINC000377535466	397097120	/nfs/dbraw/zinc/09/71/20/397097120.db2.gz	HPXISXRXUQTODF-UHFFFAOYSA-N	-1	0	316.302	0.928	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)NCCSCC(=O)[O-])c1	ZINC000619470830	397135043	/nfs/dbraw/zinc/13/50/43/397135043.db2.gz	XSNLPWVULMWFBR-UHFFFAOYSA-N	-1	0	314.388	0.849	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000592439941	397179442	/nfs/dbraw/zinc/17/94/42/397179442.db2.gz	BFBMGTXOTSIODL-UHFFFAOYSA-N	-1	0	314.407	0.735	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1=O	ZINC000573722893	397198932	/nfs/dbraw/zinc/19/89/32/397198932.db2.gz	KHPCHKSGAUBEPX-AAEUAGOBSA-N	-1	0	316.361	0.589	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000365485588	397287427	/nfs/dbraw/zinc/28/74/27/397287427.db2.gz	VFCYCJJMVDBBMT-RISCZKNCSA-N	-1	0	323.374	0.570	20	30		DCEDRM
CCC[C@@H]1SCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602103790	397301008	/nfs/dbraw/zinc/30/10/08/397301008.db2.gz	PLRWGAJKGVNUSZ-NSHDSACASA-N	-1	0	308.363	0.522	20	30		DCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCSC1	ZINC000602124523	397309253	/nfs/dbraw/zinc/30/92/53/397309253.db2.gz	GNVXKCOMRVQKQI-JTQLQIEISA-N	-1	0	308.363	0.175	20	30		DCEDRM
C=CC[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602178907	397334364	/nfs/dbraw/zinc/33/43/64/397334364.db2.gz	LCEKRYCGPCTJLN-LLVKDONJSA-N	-1	0	302.334	0.635	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-]	ZINC000577615419	397345943	/nfs/dbraw/zinc/34/59/43/397345943.db2.gz	MLQQGXVKLKJOTC-WDEREUQCSA-N	-1	0	305.400	0.896	20	30		DCEDRM
CO[C@@H]1COC[C@H]1NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000577282513	397319532	/nfs/dbraw/zinc/31/95/32/397319532.db2.gz	LPJLXPGUYYRTHO-NXEZZACHSA-N	-1	0	309.347	0.524	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC(C3CCCCC3)C2)c(=O)[n-]c1=O	ZINC000602154268	397325346	/nfs/dbraw/zinc/32/53/46/397325346.db2.gz	BKJYBMZJEBSWKM-UHFFFAOYSA-N	-1	0	316.361	0.859	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])CC1	ZINC000593945710	397485259	/nfs/dbraw/zinc/48/52/59/397485259.db2.gz	PEKRNAXTVHAZEX-GFCCVEGCSA-N	-1	0	323.374	0.691	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1C#N	ZINC000579008562	397514942	/nfs/dbraw/zinc/51/49/42/397514942.db2.gz	ZYVXLEJHDWGXDE-NOZJJQNGSA-N	-1	0	323.374	0.993	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC[C@H]1C(=O)[O-]	ZINC000599946715	397549394	/nfs/dbraw/zinc/54/93/94/397549394.db2.gz	CAMHLNPUDVAILE-NNYUYHANSA-N	-1	0	307.350	0.364	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000496179644	397577768	/nfs/dbraw/zinc/57/77/68/397577768.db2.gz	SFNQFJOWTPYANI-SECBINFHSA-N	-1	0	317.367	0.355	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C\c1cncc(C(=O)NC)c1	ZINC000492362556	397519856	/nfs/dbraw/zinc/51/98/56/397519856.db2.gz	HHDVJJKVFLPXFC-PLNGDYQASA-N	-1	0	309.347	0.086	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2cc(C#N)ccn2)c1	ZINC000579790917	397592560	/nfs/dbraw/zinc/59/25/60/397592560.db2.gz	SBHFKQGIJRPOMY-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C[C@@](O)(CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000126080845	158262096	/nfs/dbraw/zinc/26/20/96/158262096.db2.gz	JFJDIFZSGGSNHA-LLVKDONJSA-N	-1	0	318.738	0.326	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2ncccc2C#N)cc1C(N)=O	ZINC000186704359	158534237	/nfs/dbraw/zinc/53/42/37/158534237.db2.gz	CWVJGRPIDNRNON-UHFFFAOYSA-N	-1	0	305.319	0.191	20	30		DCEDRM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cn1	ZINC000360515531	159271001	/nfs/dbraw/zinc/27/10/01/159271001.db2.gz	AHKNXEKXSDDQFI-UHFFFAOYSA-N	-1	0	320.330	0.729	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)s1	ZINC000408406005	160102054	/nfs/dbraw/zinc/10/20/54/160102054.db2.gz	GHAFIUPMMKZELJ-SECBINFHSA-N	-1	0	300.361	0.858	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)CC(=O)[O-]	ZINC000232108331	287064560	/nfs/dbraw/zinc/06/45/60/287064560.db2.gz	BJMNLGDHRPVOAC-LBPRGKRZSA-N	-1	0	312.347	0.467	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCn2cncn2)c(F)c1	ZINC000342603074	415224186	/nfs/dbraw/zinc/22/41/86/415224186.db2.gz	XIVBYMQSTHRRLE-UHFFFAOYSA-N	-1	0	313.289	0.406	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1	ZINC000342879304	415330412	/nfs/dbraw/zinc/33/04/12/415330412.db2.gz	CRCINSASSKXJTC-UHFFFAOYSA-N	-1	0	302.250	0.194	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)[N-]OC[C@H]2CCOC2)cc1	ZINC000276325692	415471599	/nfs/dbraw/zinc/47/15/99/415471599.db2.gz	RVHWWPIZUQJAGR-LBPRGKRZSA-N	-1	0	303.318	0.372	20	30		DCEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cn(CC(N)=O)nn2)n1	ZINC000353899106	415689665	/nfs/dbraw/zinc/68/96/65/415689665.db2.gz	UEWSFJLOZRSKJQ-QMMMGPOBSA-N	-1	0	318.362	0.833	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1	ZINC000291189849	415830114	/nfs/dbraw/zinc/83/01/14/415830114.db2.gz	GMFCSISKWAUUBI-JTQLQIEISA-N	-1	0	312.347	0.043	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cn1	ZINC000354221037	415783213	/nfs/dbraw/zinc/78/32/13/415783213.db2.gz	JWEBRIYWRPOLIE-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C	ZINC000297026894	415947588	/nfs/dbraw/zinc/94/75/88/415947588.db2.gz	HEXRLGQGFKVARU-QWRGUYRKSA-N	-1	0	300.355	0.986	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C#N	ZINC000134706839	415957981	/nfs/dbraw/zinc/95/79/81/415957981.db2.gz	VLEHIEZCUAAXQS-JGVFFNPUSA-N	-1	0	315.376	0.900	20	30		DCEDRM
COC(=O)Cc1cccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1	ZINC000357389495	416070475	/nfs/dbraw/zinc/07/04/75/416070475.db2.gz	ODAGAFWEGRVLIQ-UHFFFAOYSA-N	-1	0	320.330	0.798	20	30		DCEDRM
Cn1ncc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)c1C#N	ZINC000356988037	416015688	/nfs/dbraw/zinc/01/56/88/416015688.db2.gz	VXRZATCJFJQALP-UHFFFAOYSA-N	-1	0	310.277	0.225	20	30		DCEDRM
C=C(C)CN(CC)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000175330887	416102120	/nfs/dbraw/zinc/10/21/20/416102120.db2.gz	ZFZNMHHVARQZRR-UHFFFAOYSA-N	-1	0	324.362	0.198	20	30		DCEDRM
Cn1cccc(N=C([O-])N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1=O	ZINC000329021412	416144427	/nfs/dbraw/zinc/14/44/27/416144427.db2.gz	MDXXOMNDHUQXHW-IACUBPJLSA-N	-1	0	321.377	0.793	20	30		DCEDRM
C=CCC[C@H](NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C(=O)[O-]	ZINC000262972356	416337196	/nfs/dbraw/zinc/33/71/96/416337196.db2.gz	SSSUJMKWGNLWPF-PKFCDNJMSA-N	-1	0	312.391	0.976	20	30		DCEDRM
Cc1nc(N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)ccc1C#N	ZINC000416441574	416370161	/nfs/dbraw/zinc/37/01/61/416370161.db2.gz	FEBRMKGMUMKSNQ-JSGCOSHPSA-N	-1	0	316.361	1.384	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1	ZINC000583945517	416488551	/nfs/dbraw/zinc/48/85/51/416488551.db2.gz	YMTQGNXNFXCLJB-YPMHNXCESA-N	-1	0	324.358	0.404	20	30		DCEDRM
O=C([O-])[C@H]1CCN(C(=O)C(=O)NCC#Cc2cccc(F)c2)C1	ZINC000420585364	416419193	/nfs/dbraw/zinc/41/91/93/416419193.db2.gz	PKUBOIHCFXHNLQ-LBPRGKRZSA-N	-1	0	318.304	0.227	20	30		DCEDRM
CO[C@@H]1CN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C[C@@H]1OC	ZINC000489200714	416562676	/nfs/dbraw/zinc/56/26/76/416562676.db2.gz	GUUJSNFQCDTRDD-PHIMTYICSA-N	-1	0	323.374	0.867	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])n1	ZINC000436653844	416566021	/nfs/dbraw/zinc/56/60/21/416566021.db2.gz	BNLDHISVRKSSSQ-UHFFFAOYSA-N	-1	0	302.250	0.194	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000424367456	416638634	/nfs/dbraw/zinc/63/86/34/416638634.db2.gz	MDCHQDVVOHGBLS-UTUOFQBUSA-N	-1	0	317.411	0.898	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F)o1	ZINC000558270609	416765172	/nfs/dbraw/zinc/76/51/72/416765172.db2.gz	CYVHPSCNUWFQFH-LURJTMIESA-N	-1	0	308.262	0.786	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCOC)CC(=O)[O-]	ZINC000562648143	416869465	/nfs/dbraw/zinc/86/94/65/416869465.db2.gz	OGBLGIJFOVYRTJ-YPMHNXCESA-N	-1	0	300.355	0.710	20	30		DCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000565060677	416917665	/nfs/dbraw/zinc/91/76/65/416917665.db2.gz	FKUTVNNQTCLVTQ-SSDOTTSWSA-N	-1	0	313.291	0.731	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(C(=O)[O-])o1	ZINC000521882707	417033147	/nfs/dbraw/zinc/03/31/47/417033147.db2.gz	MPFUBNJRHZBRBV-QMMMGPOBSA-N	-1	0	301.324	0.404	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCC1(C(=O)[O-])CCC1	ZINC000567476163	417061500	/nfs/dbraw/zinc/06/15/00/417061500.db2.gz	CGBVWOQEBFTXIG-SNVBAGLBSA-N	-1	0	303.384	0.557	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000627277878	417327860	/nfs/dbraw/zinc/32/78/60/417327860.db2.gz	BLMUZACGDREYFW-VOAKCMCISA-N	-1	0	324.377	0.263	20	30		DCEDRM
C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000529022599	417409078	/nfs/dbraw/zinc/40/90/78/417409078.db2.gz	SEMWEMZDEYHYGV-XHSYRHOGSA-N	-1	0	323.374	0.818	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H](C)c1cn(C)nc1C)C(=O)[O-]	ZINC000576855607	417641830	/nfs/dbraw/zinc/64/18/30/417641830.db2.gz	IPAQODZLODOOMI-JOYOIKCWSA-N	-1	0	310.354	0.745	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)nn1	ZINC000647769422	418052990	/nfs/dbraw/zinc/05/29/90/418052990.db2.gz	WVGRLQATDRVPSR-LLVKDONJSA-N	-1	0	304.310	0.143	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659655181	418137757	/nfs/dbraw/zinc/13/77/57/418137757.db2.gz	FJPWNNWVCDEKFI-NEPJUHHUSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000655995105	418313545	/nfs/dbraw/zinc/31/35/45/418313545.db2.gz	XLLGRTGVODZWOS-NSHDSACASA-N	-1	0	300.355	0.168	20	30		DCEDRM
C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)C(=O)[O-])cc2C1=O	ZINC000655561700	418275540	/nfs/dbraw/zinc/27/55/40/418275540.db2.gz	MYHJUGYOIZYSPR-VIFPVBQESA-N	-1	0	316.313	0.919	20	30		DCEDRM
C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccccc2[O-])C1=O	ZINC000656979613	418397219	/nfs/dbraw/zinc/39/72/19/418397219.db2.gz	PDJOHSCNAGVRDR-NSHDSACASA-N	-1	0	310.375	0.800	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000362131993	262003111	/nfs/dbraw/zinc/00/31/11/262003111.db2.gz	QWAUQIUQIPSDQE-GFCCVEGCSA-N	-1	0	312.333	0.856	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000362130580	262003135	/nfs/dbraw/zinc/00/31/35/262003135.db2.gz	RKSSWCLQUWIPFM-JTQLQIEISA-N	-1	0	310.331	0.805	20	30		DCEDRM
Cn1nnc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1	ZINC000362983211	262092549	/nfs/dbraw/zinc/09/25/49/262092549.db2.gz	RTLRCSYCRXOXEX-UHFFFAOYSA-N	-1	0	312.742	0.214	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000420536575	262375335	/nfs/dbraw/zinc/37/53/35/262375335.db2.gz	WTYYKEYGAPVBEI-MRXNPFEDSA-N	-1	0	315.329	0.498	20	30		DCEDRM
N#Cc1ccnc(N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1Cl	ZINC000424373906	262491681	/nfs/dbraw/zinc/49/16/81/262491681.db2.gz	KELQYIBIAZOZCH-SSDOTTSWSA-N	-1	0	320.696	0.377	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccncn2)c1	ZINC000492681900	268286937	/nfs/dbraw/zinc/28/69/37/268286937.db2.gz	YXJQECKIMOKBQN-PLNGDYQASA-N	-1	0	314.326	0.867	20	30		DCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000547912746	288091470	/nfs/dbraw/zinc/09/14/70/288091470.db2.gz	FQXYKPLATWHIGJ-UHFFFAOYSA-N	-1	0	313.291	0.562	20	30		DCEDRM
CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)[O-]	ZINC000548207249	288121231	/nfs/dbraw/zinc/12/12/31/288121231.db2.gz	MBTGNTBDLFQWOC-QMMMGPOBSA-N	-1	0	313.291	0.608	20	30		DCEDRM
COC[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC000548216991	288122176	/nfs/dbraw/zinc/12/21/76/288122176.db2.gz	KEMXELPVPCOVEZ-JTQLQIEISA-N	-1	0	318.738	0.590	20	30		DCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@@H](C#N)C1	ZINC000183719139	280291831	/nfs/dbraw/zinc/29/18/31/280291831.db2.gz	NZLVOJGGXRTRSN-IUCAKERBSA-N	-1	0	307.272	0.440	20	30		DCEDRM
COC[C@](C)(NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000262208442	293254033	/nfs/dbraw/zinc/25/40/33/293254033.db2.gz	LGEUEFWNVQBHMY-BMIGLBTASA-N	-1	0	306.318	0.931	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C	ZINC000263106319	297954981	/nfs/dbraw/zinc/95/49/81/297954981.db2.gz	KOVGAUWOJWGMGO-GMTAPVOTSA-N	-1	0	303.384	0.508	20	30		DCEDRM
CCOC(=O)[C@@]1(CCn2c(=O)[n-]cc(C#N)c2=O)CCCC1=O	ZINC000570926840	332842488	/nfs/dbraw/zinc/84/24/88/332842488.db2.gz	IYDRYUZFJHZHRL-OAHLLOKOSA-N	-1	0	319.317	0.101	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)N(C2CC2)C2CCCC2)c1=O	ZINC000570396569	332749957	/nfs/dbraw/zinc/74/99/57/332749957.db2.gz	LSXWLSWPLUCPSR-UHFFFAOYSA-N	-1	0	302.334	0.342	20	30		DCEDRM
CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1	ZINC000565308149	333250977	/nfs/dbraw/zinc/25/09/77/333250977.db2.gz	RQAPROYPCKSHJU-CMPLNLGQSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H]([C@H]2CCCO2)[C@@H]1C(=O)[O-]	ZINC000563225611	333487936	/nfs/dbraw/zinc/48/79/36/333487936.db2.gz	JEPRGFQUBYBWDU-IJLUTSLNSA-N	-1	0	303.380	0.846	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000049313571	334325080	/nfs/dbraw/zinc/32/50/80/334325080.db2.gz	PGLGNCNRVBSEHT-SSDOTTSWSA-N	-1	0	320.396	0.829	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000417448125	334887938	/nfs/dbraw/zinc/88/79/38/334887938.db2.gz	SZLCMMVUFKODDT-MNOVXSKESA-N	-1	0	318.395	0.192	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCCC(C)(C)[C@H]1C(=O)[O-]	ZINC000519741645	335893686	/nfs/dbraw/zinc/89/36/86/335893686.db2.gz	KNTNZTRKSLGWKY-SNVBAGLBSA-N	-1	0	303.384	0.652	20	30		DCEDRM
Cc1cc(N=C([O-])CN2CCS(=O)(=O)CC2)cn(C)c1=O	ZINC000330196468	336123208	/nfs/dbraw/zinc/12/32/08/336123208.db2.gz	QHEBGANIDAELOO-UHFFFAOYSA-N	-1	0	313.379	0.012	20	30		DCEDRM
C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(C#N)s1	ZINC000582703976	337122317	/nfs/dbraw/zinc/12/23/17/337122317.db2.gz	RIWDXKOJSXOYNY-MRVPVSSYSA-N	-1	0	318.376	0.466	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000490915050	339843574	/nfs/dbraw/zinc/84/35/74/339843574.db2.gz	LGSDPOBHBSUWOB-UHFFFAOYSA-N	-1	0	322.342	0.606	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1(CNC(=O)OC(C)(C)C)CC1	ZINC000496709057	340011050	/nfs/dbraw/zinc/01/10/50/340011050.db2.gz	NMDFZSGXRXGGPX-UHFFFAOYSA-N	-1	0	318.395	0.923	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)N(C)C(=O)OC(C)(C)C	ZINC000496716391	340011201	/nfs/dbraw/zinc/01/12/01/340011201.db2.gz	DXDRSRZISWGTKE-JTQLQIEISA-N	-1	0	318.395	0.711	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1sccc1OC)C(=O)[O-]	ZINC000566970878	341573072	/nfs/dbraw/zinc/57/30/72/341573072.db2.gz	HMJVAWGSIAPNGM-MRVPVSSYSA-N	-1	0	321.376	0.691	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000568002132	341644982	/nfs/dbraw/zinc/64/49/82/341644982.db2.gz	SBRVBTHYQVNXGQ-SNVBAGLBSA-N	-1	0	302.352	0.422	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CC[C@@H]2CC[C@H](C(=O)[O-])C[C@@H]21	ZINC000568811604	341682324	/nfs/dbraw/zinc/68/23/24/341682324.db2.gz	LGUUZXMSYRDCLI-SRVKXCTJSA-N	-1	0	315.395	0.652	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC#N)CC2)C[C@H]1C(=O)[O-]	ZINC000576636597	341856305	/nfs/dbraw/zinc/85/63/05/341856305.db2.gz	DKELUDRQQALOOE-DGCLKSJQSA-N	-1	0	321.377	0.708	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)N(C)[C@H](C)CC#N	ZINC000580557186	341876366	/nfs/dbraw/zinc/87/63/66/341876366.db2.gz	KKJZEPMYLAITEB-VWYCJHECSA-N	-1	0	305.400	0.800	20	30		DCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1	ZINC000577575005	341919651	/nfs/dbraw/zinc/91/96/51/341919651.db2.gz	UAEZSDRAOQTBAV-QWHCGFSZSA-N	-1	0	313.375	0.539	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])CC1	ZINC001601058143	1159779380	/nfs/dbraw/zinc/77/93/80/1159779380.db2.gz	NFZGHTSZTLNLDN-ZJUUUORDSA-N	-1	0	302.352	0.232	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CN1CSCCSC1	ZINC001601069698	1159780624	/nfs/dbraw/zinc/78/06/24/1159780624.db2.gz	FODZSCPYELHPPD-UHFFFAOYSA-N	-1	0	303.409	0.510	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CNS(=O)(=O)CCCC)C(=O)[O-]	ZINC001602748918	1159785083	/nfs/dbraw/zinc/78/50/83/1159785083.db2.gz	KZTRQNSDSWMQFW-JTQLQIEISA-N	-1	0	306.384	0.242	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C[C@@H]1CSCCS1)C(=O)[O-]	ZINC000263160590	526787387	/nfs/dbraw/zinc/78/73/87/526787387.db2.gz	YARBHJUDQMUXNJ-NXEZZACHSA-N	-1	0	305.421	0.997	20	30		DCEDRM
C=CCC[C@H](NC(=O)Cn1cnc2sccc2c1=O)C(=O)[O-]	ZINC000262978947	527475442	/nfs/dbraw/zinc/47/54/42/527475442.db2.gz	UEOZHOZIANUCHW-JTQLQIEISA-N	-1	0	321.358	0.994	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)NO)CC1	ZINC000671995962	547309838	/nfs/dbraw/zinc/30/98/38/547309838.db2.gz	OVDXKEYGRRROJB-UHFFFAOYSA-N	-1	0	309.347	0.464	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000684559225	548623454	/nfs/dbraw/zinc/62/34/54/548623454.db2.gz	JJJFEZKGXZKCIC-ZDUSSCGKSA-N	-1	0	324.358	0.853	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000735409239	598855208	/nfs/dbraw/zinc/85/52/08/598855208.db2.gz	WEZNTAPCHMNRAO-UHFFFAOYSA-N	-1	0	321.362	0.779	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000735409297	598855343	/nfs/dbraw/zinc/85/53/43/598855343.db2.gz	YNUOZHGZFDLRML-UHFFFAOYSA-N	-1	0	307.335	0.638	20	30		DCEDRM
C#CCN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1	ZINC000736077347	599738718	/nfs/dbraw/zinc/73/87/18/599738718.db2.gz	QSNVPBBMXCINCT-ZDUSSCGKSA-N	-1	0	321.354	0.647	20	30		DCEDRM
N#CCCCOc1cccc(NC(=O)C(=O)NCC(=O)[O-])c1	ZINC000740307717	597043100	/nfs/dbraw/zinc/04/31/00/597043100.db2.gz	SSLCIQFXMHDLEX-UHFFFAOYSA-N	-1	0	305.290	0.508	20	30		DCEDRM
C#CCOCCC(=O)N(CC(=O)[O-])c1ccc2c(c1)OCO2	ZINC000819706179	597406945	/nfs/dbraw/zinc/40/69/45/597406945.db2.gz	QEPFUYAJONSNPN-UHFFFAOYSA-N	-1	0	305.286	0.873	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)N2CC[C@@H](C(=O)[O-])C2)nc1	ZINC000819100657	597508456	/nfs/dbraw/zinc/50/84/56/597508456.db2.gz	XXJKDYLCDHJRMI-LLVKDONJSA-N	-1	0	303.322	0.481	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819954825	597625227	/nfs/dbraw/zinc/62/52/27/597625227.db2.gz	AWKDYJBILDLLLJ-UONOGXRCSA-N	-1	0	309.322	0.589	20	30		DCEDRM
COc1ccccc1[C@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820876343	597635840	/nfs/dbraw/zinc/63/58/40/597635840.db2.gz	GCCPNOKWUUXDQV-IAQYHMDHSA-N	-1	0	306.318	0.849	20	30		DCEDRM
Cc1cccc(OC[C@@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000821116599	597638905	/nfs/dbraw/zinc/63/89/05/597638905.db2.gz	HWUFRBLJAFGFTR-LRDDRELGSA-N	-1	0	320.345	0.856	20	30		DCEDRM
CN(Cc1nnc2ccccn21)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820607784	597641740	/nfs/dbraw/zinc/64/17/40/597641740.db2.gz	VPBSHIGEAQDVMR-CQSZACIVSA-N	-1	0	301.306	0.692	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000819812256	597646817	/nfs/dbraw/zinc/64/68/17/597646817.db2.gz	ZMVJMDYALBQHIT-MLGOLLRUSA-N	-1	0	321.377	0.852	20	30		DCEDRM
C[C@H]1CN=C(N2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)S1	ZINC000820251948	597650235	/nfs/dbraw/zinc/65/02/35/597650235.db2.gz	SJYMYDQGWJHYAG-HZMBPMFUSA-N	-1	0	324.406	0.626	20	30		DCEDRM
CCc1n[nH]c(=O)c(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1CC	ZINC000820493082	597657345	/nfs/dbraw/zinc/65/73/45/597657345.db2.gz	ZGINFCRNPOMKHX-OAHLLOKOSA-N	-1	0	320.349	0.928	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1ccc(CC#N)cc1)[C@@H](C)C(=O)[O-]	ZINC000819757896	597688047	/nfs/dbraw/zinc/68/80/47/597688047.db2.gz	BSSHNQUUOXAVBO-NSHDSACASA-N	-1	0	317.345	0.804	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC000819700874	598155572	/nfs/dbraw/zinc/15/55/72/598155572.db2.gz	MNDHWWFSFDBAIT-UHFFFAOYSA-N	-1	0	314.341	0.986	20	30		DCEDRM
C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(=O)[O-]	ZINC000820114149	598170610	/nfs/dbraw/zinc/17/06/10/598170610.db2.gz	KSRQEWWPAQRMNT-ZETCQYMHSA-N	-1	0	307.310	0.038	20	30		DCEDRM
Cc1ccc(C(=O)NCCNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC000821064197	598227360	/nfs/dbraw/zinc/22/73/60/598227360.db2.gz	ZRYICJNYZSNWNG-MRXNPFEDSA-N	-1	0	317.345	0.846	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCn1c2ccccc2[nH]c1=O	ZINC000819842914	598229739	/nfs/dbraw/zinc/22/97/39/598229739.db2.gz	WQZJDTYYIKXOSM-HNNXBMFYSA-N	-1	0	316.317	0.863	20	30		DCEDRM
C[C@@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)n1cccc1	ZINC000735978585	598258350	/nfs/dbraw/zinc/25/83/50/598258350.db2.gz	XKZRBHGUJAAYQN-QMMMGPOBSA-N	-1	0	311.309	0.853	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)N1CCC[C@H](C(F)(F)F)C1	ZINC000833066400	601226853	/nfs/dbraw/zinc/22/68/53/601226853.db2.gz	XTESBZMXISZWOR-VIFPVBQESA-N	-1	0	307.272	0.697	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)C(=O)CCCNC(=O)[O-]	ZINC000739073138	599754138	/nfs/dbraw/zinc/75/41/38/599754138.db2.gz	PTTOYLUZTXEMOU-UHFFFAOYSA-N	-1	0	312.370	0.109	20	30		DCEDRM
C#CCN(Cc1cc(C(=O)[O-])c(C)o1)[C@@H]1CCS(=O)(=O)C1	ZINC000736078681	599928085	/nfs/dbraw/zinc/92/80/85/599928085.db2.gz	DWXATAYIZBTDCQ-LLVKDONJSA-N	-1	0	311.359	0.909	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CCO1	ZINC000093932507	599981273	/nfs/dbraw/zinc/98/12/73/599981273.db2.gz	GNONYYODEGAGPR-SSDOTTSWSA-N	-1	0	302.333	0.359	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000736079963	600101939	/nfs/dbraw/zinc/10/19/39/600101939.db2.gz	PTKSKHQMYOFVDX-CABCVRRESA-N	-1	0	300.358	0.896	20	30		DCEDRM
C#Cc1ccc(C(=O)OCC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)nc1	ZINC000736092624	600117915	/nfs/dbraw/zinc/11/79/15/600117915.db2.gz	IIPQIWDQWKCUMF-QMTHXVAHSA-N	-1	0	318.329	0.835	20	30		DCEDRM
Cc1oc(NC(=O)COC(=O)CCNC(=O)[O-])c(C#N)c1C	ZINC000738976402	600203034	/nfs/dbraw/zinc/20/30/34/600203034.db2.gz	QXSYIVQYQOPMBL-UHFFFAOYSA-N	-1	0	309.278	0.908	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000737412505	600314050	/nfs/dbraw/zinc/31/40/50/600314050.db2.gz	PXOULENFEAXRLT-JTQLQIEISA-N	-1	0	301.368	0.263	20	30		DCEDRM
C[C@H](NC(=O)CC1CCCCC1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736631162	600402352	/nfs/dbraw/zinc/40/23/52/600402352.db2.gz	KTFYKVWEHIKTIA-NSHDSACASA-N	-1	0	309.366	0.898	20	30		DCEDRM
Cc1nc2ncnn2c(C)c1CCC(=O)N(CC#N)CC(=O)[O-]	ZINC000738881493	600403352	/nfs/dbraw/zinc/40/33/52/600403352.db2.gz	KNRYIPLPXXZGCF-UHFFFAOYSA-N	-1	0	316.321	0.111	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1nc(N2CCCC2)ncc1Cl	ZINC000739086081	600405613	/nfs/dbraw/zinc/40/56/13/600405613.db2.gz	OJJFNHALDUFKGY-UHFFFAOYSA-N	-1	0	323.740	0.781	20	30		DCEDRM
Cc1nc(-c2cnn(C)c2)sc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000738839444	600408249	/nfs/dbraw/zinc/40/82/49/600408249.db2.gz	IUJHEESAXSISMU-UHFFFAOYSA-N	-1	0	319.346	0.902	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1n[nH]c(=O)c2ccccc12	ZINC000739078816	600409994	/nfs/dbraw/zinc/40/99/94/600409994.db2.gz	NLCSGKOMKJAGGD-UHFFFAOYSA-N	-1	0	300.274	0.315	20	30		DCEDRM
CCN(CC#N)C[C@H](O)COc1ccc(C(=O)[O-])cc1OC	ZINC000737067745	600458338	/nfs/dbraw/zinc/45/83/38/600458338.db2.gz	MRAYXFRZTQRFLH-LBPRGKRZSA-N	-1	0	308.334	0.979	20	30		DCEDRM
C#CCOc1ccccc1CNS(=O)(=O)CCCC(=O)[O-]	ZINC000736088669	600500488	/nfs/dbraw/zinc/50/04/88/600500488.db2.gz	ZXFAHDWCJSCZJO-UHFFFAOYSA-N	-1	0	311.359	0.983	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCN1C1CC1	ZINC000833062319	600747162	/nfs/dbraw/zinc/74/71/62/600747162.db2.gz	LNWMJZCZGVMXPZ-JTQLQIEISA-N	-1	0	324.362	0.074	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833063554	600773179	/nfs/dbraw/zinc/77/31/79/600773179.db2.gz	YYBHOPBHPXFYHX-LBPRGKRZSA-N	-1	0	310.331	0.439	20	30		DCEDRM
COC(=O)C1C(=CC(=O)[O-])NC(=S)N[C@H]1c1ccc(C#N)o1	ZINC000831100359	600782914	/nfs/dbraw/zinc/78/29/14/600782914.db2.gz	NHXLZWJYLVFYBN-NSHDSACASA-N	-1	0	321.314	0.572	20	30		DCEDRM
C[C@@H](C(=O)N(CC#N)CC(=O)[O-])n1nnc(-c2ccccc2)n1	ZINC000825971664	600891026	/nfs/dbraw/zinc/89/10/26/600891026.db2.gz	CMSHRXBPUGKDEF-JTQLQIEISA-N	-1	0	314.305	0.338	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)NC[C@@H]1Cc2ccccc2O1	ZINC000833066441	601227016	/nfs/dbraw/zinc/22/70/16/601227016.db2.gz	YUPPHKAUNYMACE-LBPRGKRZSA-N	-1	0	303.318	0.016	20	30		DCEDRM
C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1ccc(C#N)cc1	ZINC000088768772	601254133	/nfs/dbraw/zinc/25/41/33/601254133.db2.gz	ASMCAASRLWHWGD-JTQLQIEISA-N	-1	0	311.363	0.860	20	30		DCEDRM
CN1C[C@@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CC1=O	ZINC000830913842	601348459	/nfs/dbraw/zinc/34/84/59/601348459.db2.gz	XDJSGPDRMIMTKQ-AAEUAGOBSA-N	-1	0	302.286	0.705	20	30		DCEDRM
CC(C)C[C@H](NC(=O)COC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC000826794449	601356970	/nfs/dbraw/zinc/35/69/70/601356970.db2.gz	XNGYVBQLGGHMNS-NSHDSACASA-N	-1	0	321.333	0.669	20	30		DCEDRM
O=C([O-])CC1(NC(=O)CCNC(=O)C2N=CC=CC2=O)CCC1	ZINC000833202840	601432266	/nfs/dbraw/zinc/43/22/66/601432266.db2.gz	YODWVIZABHWDMJ-BUHFOSPRSA-N	-1	0	321.333	0.417	20	30		DCEDRM
C[C@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)C[C@H]1C(=O)[O-]	ZINC000828361233	601650259	/nfs/dbraw/zinc/65/02/59/601650259.db2.gz	GFJNKAZVANXIEI-CMPLNLGQSA-N	-1	0	317.349	0.727	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)C(=O)[O-]	ZINC000832153229	601766877	/nfs/dbraw/zinc/76/68/77/601766877.db2.gz	XLWUFWMCKPRNPQ-UHFFFAOYSA-N	-1	0	319.317	0.732	20	30		DCEDRM
C[C@@H](CS(=O)(=O)NCc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC000827564107	601786709	/nfs/dbraw/zinc/78/67/09/601786709.db2.gz	VRRXGXHPNTUHPY-JTQLQIEISA-N	-1	0	312.347	0.729	20	30		DCEDRM
C#CCNC(=O)CN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1	ZINC000825620072	601898189	/nfs/dbraw/zinc/89/81/89/601898189.db2.gz	USTJTBRQJDDVDB-CYBMUJFWSA-N	-1	0	314.263	0.911	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC2CCN(C(=O)[O-])CC2)cn1	ZINC000738434552	601983019	/nfs/dbraw/zinc/98/30/19/601983019.db2.gz	KLLHRHSNOGLNEP-UHFFFAOYSA-N	-1	0	310.335	0.374	20	30		DCEDRM
O=C([O-])C[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCO1	ZINC000833214856	602392684	/nfs/dbraw/zinc/39/26/84/602392684.db2.gz	SOJBLCBNZQBERM-LBPRGKRZSA-N	-1	0	317.297	0.469	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)CCCNC(=O)[O-])C(N)=O)cc1	ZINC000739110071	602812236	/nfs/dbraw/zinc/81/22/36/602812236.db2.gz	OLRRBQIAVVJDAG-GFCCVEGCSA-N	-1	0	305.290	0.676	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000831083034	603600741	/nfs/dbraw/zinc/60/07/41/603600741.db2.gz	UTICKGXOMXHSET-LBPRGKRZSA-N	-1	0	318.289	0.852	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000831092556	603602550	/nfs/dbraw/zinc/60/25/50/603602550.db2.gz	WUSFTHCNYRDXQP-LLVKDONJSA-N	-1	0	304.262	0.923	20	30		DCEDRM
CN(CC(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O)C(=O)[O-]	ZINC000828120248	603612298	/nfs/dbraw/zinc/61/22/98/603612298.db2.gz	HLAZUIOGURUKDR-SECBINFHSA-N	-1	0	323.330	0.878	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)NC2CN(C(=O)[O-])C2)nc1	ZINC000831137291	603621676	/nfs/dbraw/zinc/62/16/76/603621676.db2.gz	VTYUTIWGFVOFFU-UHFFFAOYSA-N	-1	0	304.310	0.027	20	30		DCEDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000824952158	603671783	/nfs/dbraw/zinc/67/17/83/603671783.db2.gz	KVKDKEMUKUQARH-MRVPVSSYSA-N	-1	0	322.296	0.750	20	30		DCEDRM
C[C@H](CCNC(=O)CCNC(=O)C1N=CC=CC1=O)NC(=O)[O-]	ZINC000824785934	603721333	/nfs/dbraw/zinc/72/13/33/603721333.db2.gz	IMMLBWYIWAFEJP-MMZVIXLHSA-N	-1	0	324.337	0.065	20	30		DCEDRM
CN(C(=O)[O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000827829722	603774259	/nfs/dbraw/zinc/77/42/59/603774259.db2.gz	LBVRAJNPDPGIQP-LBPRGKRZSA-N	-1	0	316.317	0.707	20	30		DCEDRM
C#CCN1CCN(C(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1	ZINC000823450850	603789121	/nfs/dbraw/zinc/78/91/21/603789121.db2.gz	JWVGXXVKFZNFNM-NEPJUHHUSA-N	-1	0	309.366	0.267	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)nc1	ZINC000831136502	603838414	/nfs/dbraw/zinc/83/84/14/603838414.db2.gz	DNPVNIQLVILEGS-CQSZACIVSA-N	-1	0	321.312	0.573	20	30		DCEDRM
C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])c1cccc(C#N)c1	ZINC000825082626	603867874	/nfs/dbraw/zinc/86/78/74/603867874.db2.gz	NULAFSVANQPKLT-ZWKOPEQDSA-N	-1	0	303.318	0.849	20	30		DCEDRM
CCCC[C@H](CNC(=O)[O-])Nc1c(C#N)c(=O)n(C)c(=O)n1C	ZINC000826813184	603895001	/nfs/dbraw/zinc/89/50/01/603895001.db2.gz	GZDVUFDDUPXISG-SECBINFHSA-N	-1	0	323.353	0.194	20	30		DCEDRM
CCCC[C@H](CNC(=O)[O-])NS(=O)(=O)N(C)CCC#N	ZINC000826816313	603922691	/nfs/dbraw/zinc/92/26/91/603922691.db2.gz	ZEYZRRBADIRYIN-SNVBAGLBSA-N	-1	0	306.388	0.493	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000828273333	604047496	/nfs/dbraw/zinc/04/74/96/604047496.db2.gz	LXPVFTPIDSGQHD-MNOVXSKESA-N	-1	0	316.383	0.293	20	30		DCEDRM
COC(=O)c1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cn1	ZINC000828767447	604077658	/nfs/dbraw/zinc/07/76/58/604077658.db2.gz	XYEMVYDZUSXNKU-SNVBAGLBSA-N	-1	0	318.289	0.196	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1csc2cncn21	ZINC000831092439	604080929	/nfs/dbraw/zinc/08/09/29/604080929.db2.gz	VSXMJAFTHJGULE-MRVPVSSYSA-N	-1	0	305.319	0.724	20	30		DCEDRM
C[C@H](Oc1cccnc1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825618474	604082543	/nfs/dbraw/zinc/08/25/43/604082543.db2.gz	WRLPPOPCQZFXKM-WDEREUQCSA-N	-1	0	304.306	0.563	20	30		DCEDRM
C[C@@H](Oc1cccnc1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825618460	604082710	/nfs/dbraw/zinc/08/27/10/604082710.db2.gz	WRLPPOPCQZFXKM-GHMZBOCLSA-N	-1	0	304.306	0.563	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2nncn2c1	ZINC000831086409	604085696	/nfs/dbraw/zinc/08/56/96/604085696.db2.gz	DQZPLDQPMRSULA-JTQLQIEISA-N	-1	0	300.278	0.057	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)CC2CN(C(=O)[O-])C2)C(N)=O)cc1	ZINC000831122902	604088320	/nfs/dbraw/zinc/08/83/20/604088320.db2.gz	VXVLAOIZIKPWDI-CYBMUJFWSA-N	-1	0	317.301	0.628	20	30		DCEDRM
C[C@H]1CN(C(=O)Nc2nn(C)cc2C#N)C[C@H](C)N1C(=O)[O-]	ZINC000826020979	604153961	/nfs/dbraw/zinc/15/39/61/604153961.db2.gz	PYQYYKDQBNVUMP-IUCAKERBSA-N	-1	0	306.326	0.896	20	30		DCEDRM
N#C[C@@H](C(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C(=O)N1CCCC1	ZINC000831066386	604220238	/nfs/dbraw/zinc/22/02/38/604220238.db2.gz	WOHPFXVKIOLVEY-NEPJUHHUSA-N	-1	0	323.349	0.477	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CC[C@H](N(C)C(=O)[O-])C2)nc1	ZINC000823456928	604222439	/nfs/dbraw/zinc/22/24/39/604222439.db2.gz	SCXFWYBAMNKCJG-LBPRGKRZSA-N	-1	0	302.334	0.633	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000831152836	604243807	/nfs/dbraw/zinc/24/38/07/604243807.db2.gz	ODYFAFIGPVHWNH-LLVKDONJSA-N	-1	0	320.330	0.435	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CCc1ccccc1	ZINC000831091317	604244582	/nfs/dbraw/zinc/24/45/82/604244582.db2.gz	BDWMDZDNHHORHV-ZDUSSCGKSA-N	-1	0	323.374	0.747	20	30		DCEDRM
CN(Cc1ccc(NC(=O)Cn2cnc(C#N)n2)cc1)C(=O)[O-]	ZINC000830831160	604319034	/nfs/dbraw/zinc/31/90/34/604319034.db2.gz	SHUOQFIMCSDEAX-UHFFFAOYSA-N	-1	0	314.305	0.898	20	30		DCEDRM
CN1CCN(C(=O)Cc2ccc(C#N)cc2)[C@@H](CNC(=O)[O-])C1	ZINC000828501601	604401485	/nfs/dbraw/zinc/40/14/85/604401485.db2.gz	XDQLOJHFBRHDAK-AWEZNQCLSA-N	-1	0	316.361	0.511	20	30		DCEDRM
N#Cc1cccnc1N1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1	ZINC000831157557	604424046	/nfs/dbraw/zinc/42/40/46/604424046.db2.gz	ZZVWRONSPNJNPI-UHFFFAOYSA-N	-1	0	315.333	0.402	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)C3(NC(=O)[O-])CC3)CC2)nc1	ZINC000831132115	604432966	/nfs/dbraw/zinc/43/29/66/604432966.db2.gz	NLTKKRJVNZWAQS-UHFFFAOYSA-N	-1	0	315.333	0.402	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)NC2CN(C(=O)[O-])C2)cc1	ZINC000831142400	604592987	/nfs/dbraw/zinc/59/29/87/604592987.db2.gz	XTQLERDAPJACMW-UHFFFAOYSA-N	-1	0	304.306	0.598	20	30		DCEDRM
N#CCc1cccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1	ZINC000833068893	604696977	/nfs/dbraw/zinc/69/69/77/604696977.db2.gz	GVCOETOBNJONSG-UHFFFAOYSA-N	-1	0	314.301	0.828	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)nc1	ZINC000823467040	604723916	/nfs/dbraw/zinc/72/39/16/604723916.db2.gz	OVVZPXDUIKAFHE-ZWNOBZJWSA-N	-1	0	303.318	0.560	20	30		DCEDRM
N#CCCN(CCc1cn(CC(=O)[O-])nn1)Cc1ccco1	ZINC000833760171	604916823	/nfs/dbraw/zinc/91/68/23/604916823.db2.gz	IUQACODQXHNLLH-UHFFFAOYSA-N	-1	0	303.322	0.914	20	30		DCEDRM
C[C@@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)NC1(C#N)CCCCC1	ZINC000833531778	604956824	/nfs/dbraw/zinc/95/68/24/604956824.db2.gz	DBTCDNUAMLTRTP-VHSXEESVSA-N	-1	0	311.338	0.917	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC000833376163	605058936	/nfs/dbraw/zinc/05/89/36/605058936.db2.gz	VMOISTWWQMCLME-UHFFFAOYSA-N	-1	0	322.317	0.651	20	30		DCEDRM
N#Cc1cc(COC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)ccn1	ZINC000831114733	605087679	/nfs/dbraw/zinc/08/76/79/605087679.db2.gz	SPPQZBKHXBBPHD-GFCCVEGCSA-N	-1	0	305.290	0.765	20	30		DCEDRM
N#Cc1cccc(OCCOC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831152812	605199752	/nfs/dbraw/zinc/19/97/52/605199752.db2.gz	NMCLEGHYZPQTAE-ZDUSSCGKSA-N	-1	0	320.301	0.859	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000833378916	605272368	/nfs/dbraw/zinc/27/23/68/605272368.db2.gz	XLWWKJAWCWASEK-JTQLQIEISA-N	-1	0	304.368	0.236	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833377898	605301734	/nfs/dbraw/zinc/30/17/34/605301734.db2.gz	DJTBCSRXAAOSDN-UHFFFAOYSA-N	-1	0	311.359	0.644	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCc2n[nH]cc2C1	ZINC000833965467	605321548	/nfs/dbraw/zinc/32/15/48/605321548.db2.gz	AZJXTCLKRCDFRH-GXSJLCMTSA-N	-1	0	303.322	0.229	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823506944	605338744	/nfs/dbraw/zinc/33/87/44/605338744.db2.gz	PLWBGOBOIMPHRT-GHMZBOCLSA-N	-1	0	314.338	0.379	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CCN1C1CC1	ZINC000739069867	605663323	/nfs/dbraw/zinc/66/33/23/605663323.db2.gz	UQJBFGDKQPWJRY-WCQYABFASA-N	-1	0	321.381	0.511	20	30		DCEDRM
Cc1onc(CC(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)c1C#N	ZINC000833935821	605695380	/nfs/dbraw/zinc/69/53/80/605695380.db2.gz	JVZZZJBMNOPYHD-AWEZNQCLSA-N	-1	0	306.322	0.950	20	30		DCEDRM
Cc1onc(CC(=O)N2C[C@@H](C)N(C(=O)[O-])C[C@H]2C)c1C#N	ZINC000833936192	605700092	/nfs/dbraw/zinc/70/00/92/605700092.db2.gz	LOMGFTZOZVIFFP-RKDXNWHRSA-N	-1	0	306.322	0.996	20	30		DCEDRM
N#CC1(COC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCOCC1	ZINC000833964028	605781301	/nfs/dbraw/zinc/78/13/01/605781301.db2.gz	BKGIOXMCZUKWSR-NSHDSACASA-N	-1	0	312.322	0.619	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(C(=O)[O-])no1	ZINC000833534089	605824310	/nfs/dbraw/zinc/82/43/10/605824310.db2.gz	SEOAIENRQBNZAW-RMLUDKJBSA-N	-1	0	323.305	0.973	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000833972816	605839641	/nfs/dbraw/zinc/83/96/41/605839641.db2.gz	HOKPRCCBBWZTED-QWHCGFSZSA-N	-1	0	314.301	0.306	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@@H](CNC(=O)[O-])C2CC2)cc1	ZINC000833972609	605839901	/nfs/dbraw/zinc/83/99/01/605839901.db2.gz	FMEWRVDRZOIQDD-STQMWFEESA-N	-1	0	303.318	0.754	20	30		DCEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1nccc(N2CCOCC2)n1	ZINC000834171235	605861730	/nfs/dbraw/zinc/86/17/30/605861730.db2.gz	XJIIUKCLBJZZTI-JTQLQIEISA-N	-1	0	320.353	0.901	20	30		DCEDRM
N#C[C@@H]1CSCCN1C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000833966109	605975251	/nfs/dbraw/zinc/97/52/51/605975251.db2.gz	HNXAJDNWAJHABP-MNOVXSKESA-N	-1	0	313.379	0.613	20	30		DCEDRM
N#C[C@H]1CSCCN1C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000833966113	605978597	/nfs/dbraw/zinc/97/85/97/605978597.db2.gz	HNXAJDNWAJHABP-WDEREUQCSA-N	-1	0	313.379	0.613	20	30		DCEDRM
C[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)C1CCOCC1	ZINC000824051692	607927630	/nfs/dbraw/zinc/92/76/30/607927630.db2.gz	CCIIRMWAFJKHTE-ZETCQYMHSA-N	-1	0	316.325	0.463	20	30		DCEDRM
Cc1cc(C)n(N=CC[C@H]2CCOC2)c(=O)c1-c1nnn[n-]1	ZINC000826265429	608229006	/nfs/dbraw/zinc/22/90/06/608229006.db2.gz	YSBWVPWMRDPFNG-NSHDSACASA-N	-1	0	302.338	0.906	20	30		DCEDRM
COCCC[C@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000826155588	609404703	/nfs/dbraw/zinc/40/47/03/609404703.db2.gz	VEMAIUYDZXZWHB-ZETCQYMHSA-N	-1	0	304.314	0.463	20	30		DCEDRM
N#CCN[C@H]1CCC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC000981373043	661139341	/nfs/dbraw/zinc/13/93/41/661139341.db2.gz	DPCCXTPXHJAEGF-QWRGUYRKSA-N	-1	0	314.349	0.177	20	30		DCEDRM
C[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)C1CN(CC#N)C1	ZINC000970507409	657585611	/nfs/dbraw/zinc/58/56/11/657585611.db2.gz	AGVQMOXUVQVNKV-SNVBAGLBSA-N	-1	0	311.345	0.909	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ncn(-c2ccccc2)n1	ZINC000181256425	665513394	/nfs/dbraw/zinc/51/33/94/665513394.db2.gz	UDXBSWNFULUXOJ-UHFFFAOYSA-N	-1	0	319.346	0.631	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001023700662	658146989	/nfs/dbraw/zinc/14/69/89/658146989.db2.gz	XGWBXNJMKOFBDY-JTQLQIEISA-N	-1	0	315.333	0.894	20	30		DCEDRM
C#CCCN1CCO[C@@]2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)C1	ZINC000972345860	658596856	/nfs/dbraw/zinc/59/68/56/658596856.db2.gz	JQHGNHCMXJJHEB-INIZCTEOSA-N	-1	0	318.377	0.364	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnc2)cc1	ZINC000181263742	659028077	/nfs/dbraw/zinc/02/80/77/659028077.db2.gz	XBTZXNDKXTYXIA-UHFFFAOYSA-N	-1	0	319.346	0.631	20	30		DCEDRM
C#CC[C@@H](COC)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000872509038	667904893	/nfs/dbraw/zinc/90/48/93/667904893.db2.gz	OYRBRVNCYUMBMY-XTZNXHDOSA-N	-1	0	310.441	0.755	20	30		DCEDRM
CN1CCOc2ccc(C(=O)[N-]S(=O)(=O)CCCC#N)cc21	ZINC000892932769	659513161	/nfs/dbraw/zinc/51/31/61/659513161.db2.gz	MPCRZHXYYAQLCL-UHFFFAOYSA-N	-1	0	323.374	0.879	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC(=O)OC(C)C	ZINC000103992562	659652884	/nfs/dbraw/zinc/65/28/84/659652884.db2.gz	BRQPZUVTLUVISJ-UHFFFAOYSA-N	-1	0	319.361	0.864	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CN1CCN(c2ccccn2)CC1	ZINC000909515275	662169871	/nfs/dbraw/zinc/16/98/71/662169871.db2.gz	RYFZGIPTBADBCH-UHFFFAOYSA-N	-1	0	318.377	0.303	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)s1	ZINC000728147307	662354906	/nfs/dbraw/zinc/35/49/06/662354906.db2.gz	FAWRQACOKGWYHI-MRVPVSSYSA-N	-1	0	309.347	0.322	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]3CN(CC#N)C[C@H]3CC2)c1[O-]	ZINC000946555761	665870442	/nfs/dbraw/zinc/87/04/42/665870442.db2.gz	BLJHZGFBJGXHQT-TXEJJXNPSA-N	-1	0	303.366	0.731	20	30		DCEDRM
C#Cc1ccc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)cn1	ZINC000728861527	662493037	/nfs/dbraw/zinc/49/30/37/662493037.db2.gz	MZPQOGWNOGFUBR-UHFFFAOYSA-N	-1	0	323.359	0.538	20	30		DCEDRM
Cc1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)nn1	ZINC000866959310	662673515	/nfs/dbraw/zinc/67/35/15/662673515.db2.gz	CDBBLELJRTUGGV-UHFFFAOYSA-N	-1	0	309.395	0.299	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)s1	ZINC000899925214	663201060	/nfs/dbraw/zinc/20/10/60/663201060.db2.gz	AEUFQTZVHWZVKW-SNVBAGLBSA-N	-1	0	314.388	0.940	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@]2(N)C[C@H](OCC)C2(C)C)CC1	ZINC000901058622	663312715	/nfs/dbraw/zinc/31/27/15/663312715.db2.gz	GFCPFCQBGGNBCV-HZMBPMFUSA-N	-1	0	316.423	0.684	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@@](C)(C#N)CN(C)C)cc1=O	ZINC000905497118	663561486	/nfs/dbraw/zinc/56/14/86/663561486.db2.gz	WNBBWLHWRQEAPG-HNNXBMFYSA-N	-1	0	307.398	0.335	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1CC	ZINC000907014978	663660456	/nfs/dbraw/zinc/66/04/56/663660456.db2.gz	MJRAAJLXWXLVGT-CYBMUJFWSA-N	-1	0	323.370	0.970	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCCOC[C@H]1CCCO1)C(=O)[O-]	ZINC000908905895	663774762	/nfs/dbraw/zinc/77/47/62/663774762.db2.gz	NDVAMXKKZXKXFE-NEPJUHHUSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)NCCN1CCOCC1(C)C)C(=O)[O-]	ZINC000908935814	663775211	/nfs/dbraw/zinc/77/52/11/663775211.db2.gz	ARQANAFQDNYEMC-GFCCVEGCSA-N	-1	0	313.398	0.816	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NC1CCN(c2cccnn2)CC1	ZINC000909094224	663781129	/nfs/dbraw/zinc/78/11/29/663781129.db2.gz	HUFOPVAKPRASAJ-UHFFFAOYSA-N	-1	0	319.365	0.728	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cn2c(n1)C[C@@H](C)CC2)C(=O)[O-]	ZINC000909769483	663800401	/nfs/dbraw/zinc/80/04/01/663800401.db2.gz	ZDWFEYHOYOVASJ-JQWIXIFHSA-N	-1	0	307.350	0.851	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cn2c(n1)CC[C@H](C)C2)C(=O)[O-]	ZINC000909772776	663800999	/nfs/dbraw/zinc/80/09/99/663800999.db2.gz	VFEPRUGZJGIXOB-CMPLNLGQSA-N	-1	0	307.350	0.851	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-]	ZINC000910051769	663836900	/nfs/dbraw/zinc/83/69/00/663836900.db2.gz	GTRNZIJNQCBCLH-WCQYABFASA-N	-1	0	315.329	0.023	20	30		DCEDRM
C#CC[C@@H](NC(=O)CN1C(=O)CSc2ccccc21)C(=O)[O-]	ZINC000910052058	663837334	/nfs/dbraw/zinc/83/73/34/663837334.db2.gz	MORCZIKMCBHBSO-SNVBAGLBSA-N	-1	0	318.354	0.718	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccccc1OCC(=O)N(C)C)C(=O)[O-]	ZINC000910052516	663837402	/nfs/dbraw/zinc/83/74/02/663837402.db2.gz	AAXMYKFYDSKZHH-LBPRGKRZSA-N	-1	0	318.329	0.360	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cn(CC(F)(F)F)nc1C)C(=O)[O-]	ZINC000910048738	663840504	/nfs/dbraw/zinc/84/05/04/663840504.db2.gz	NOKISASBXASGQX-SECBINFHSA-N	-1	0	303.240	0.960	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-]	ZINC000910050944	663840849	/nfs/dbraw/zinc/84/08/49/663840849.db2.gz	BFCFABZWUWWEET-AAEUAGOBSA-N	-1	0	300.314	0.632	20	30		DCEDRM
C=CCN(CC(=O)[O-])c1cc(N2CC[C@@H]([C@@H](C)O)C2)ncn1	ZINC000910395902	663879087	/nfs/dbraw/zinc/87/90/87/663879087.db2.gz	OVNJIIFKUVTFLG-VXGBXAGGSA-N	-1	0	306.366	0.761	20	30		DCEDRM
C#CCCN1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1	ZINC000911252729	664010980	/nfs/dbraw/zinc/01/09/80/664010980.db2.gz	RWQSHDWHRXYPHO-UHFFFAOYSA-N	-1	0	316.357	0.931	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC000911368702	664044115	/nfs/dbraw/zinc/04/41/15/664044115.db2.gz	NUSNGOGYOQVALE-ZDUSSCGKSA-N	-1	0	314.382	0.213	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000911369523	664044516	/nfs/dbraw/zinc/04/45/16/664044516.db2.gz	UVKPJGBKKFKMDJ-KGLIPLIRSA-N	-1	0	303.314	0.947	20	30		DCEDRM
C#CC1(O)CCN(C(=O)CSc2n[n-]c(=S)s2)CC1	ZINC000912969987	664251784	/nfs/dbraw/zinc/25/17/84/664251784.db2.gz	SRJKOGUZQXJVAE-UHFFFAOYSA-N	-1	0	315.445	0.906	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H]2CCC[C@@H](NCC#N)[C@@H]2C1	ZINC000992785971	664768489	/nfs/dbraw/zinc/76/84/89/664768489.db2.gz	JGMFDPWIUHNFTA-YNEHKIRRSA-N	-1	0	315.377	0.845	20	30		DCEDRM
NS(=O)(=O)c1ccc(N=NCc2ccc(C(=O)[O-])cc2)nc1	ZINC000914695748	664814645	/nfs/dbraw/zinc/81/46/45/664814645.db2.gz	GPKLCYUGEIILQX-UHFFFAOYSA-N	-1	0	320.330	0.873	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)[n-]c1C#N	ZINC000915067776	664858156	/nfs/dbraw/zinc/85/81/56/664858156.db2.gz	VEPXKSXKEHOAET-SNVBAGLBSA-N	-1	0	323.316	0.371	20	30		DCEDRM
CCn1cc(C=NN=C2NS(=O)(=O)c3ccccc32)cn1	ZINC000732528226	664943479	/nfs/dbraw/zinc/94/34/79/664943479.db2.gz	GOWRVWCXSXMHOY-UHFFFAOYSA-N	-1	0	303.347	0.976	20	30		DCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1cccc(S(N)(=O)=O)c1	ZINC000915945689	665054113	/nfs/dbraw/zinc/05/41/13/665054113.db2.gz	UHGSAGFTBMDDSN-UHFFFAOYSA-N	-1	0	322.350	0.369	20	30		DCEDRM
CON=Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cc1	ZINC000916821629	665095201	/nfs/dbraw/zinc/09/52/01/665095201.db2.gz	LMLZCBXGQNAFFN-UHFFFAOYSA-N	-1	0	322.346	0.519	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(N)c([N+](=O)[O-])c1	ZINC000916892008	665099376	/nfs/dbraw/zinc/09/93/76/665099376.db2.gz	YVNUGIKBUYWJGC-VIFPVBQESA-N	-1	0	306.278	0.262	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(CNC(C)=O)cc1	ZINC000916891060	665099524	/nfs/dbraw/zinc/09/95/24/665099524.db2.gz	PFAYRRJTLDDFSI-CQSZACIVSA-N	-1	0	317.345	0.408	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(-c2ccc(Cl)cc2)nn1	ZINC000917002844	665108371	/nfs/dbraw/zinc/10/83/71/665108371.db2.gz	UYLFSBIQOYTDGR-JTQLQIEISA-N	-1	0	303.709	0.989	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2CCNC2=O)c(C)c1	ZINC000920113559	665258278	/nfs/dbraw/zinc/25/82/78/665258278.db2.gz	HUSAGGPLNLTWIZ-LLVKDONJSA-N	-1	0	300.318	0.593	20	30		DCEDRM
N#CCCNS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000447145031	666086141	/nfs/dbraw/zinc/08/61/41/666086141.db2.gz	DZGBZQCFJJHWCZ-UHFFFAOYSA-N	-1	0	302.283	0.481	20	30		DCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000733718591	666807696	/nfs/dbraw/zinc/80/76/96/666807696.db2.gz	GJCFDUHJBQIHKQ-SNVBAGLBSA-N	-1	0	312.347	0.683	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)NC2CC2)cc1	ZINC000788070148	666984904	/nfs/dbraw/zinc/98/49/04/666984904.db2.gz	IYKNXGYTJUGRRI-UHFFFAOYSA-N	-1	0	320.370	0.662	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000863796389	667183338	/nfs/dbraw/zinc/18/33/38/667183338.db2.gz	KDISIQOGNWFLFL-SECBINFHSA-N	-1	0	302.290	0.204	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)C(=O)[O-]	ZINC000864184174	667222915	/nfs/dbraw/zinc/22/29/15/667222915.db2.gz	OUXYQBCKJQZQAD-MRVPVSSYSA-N	-1	0	316.701	0.812	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)[O-]	ZINC000864186061	667223049	/nfs/dbraw/zinc/22/30/49/667223049.db2.gz	IATVXPJJPLVHGD-LURJTMIESA-N	-1	0	302.674	0.654	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cn(C)nc1C(C)(C)C	ZINC000864433967	667254437	/nfs/dbraw/zinc/25/44/37/667254437.db2.gz	VXVYURZWHJMMQZ-UHFFFAOYSA-N	-1	0	315.395	0.979	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000186185699	667345258	/nfs/dbraw/zinc/34/52/58/667345258.db2.gz	PPDKVTIMZOTOEF-UHFFFAOYSA-N	-1	0	311.363	0.123	20	30		DCEDRM
CN(C(=O)c1c[n-]n2c1nccc2=O)C1CCN(CC#N)CC1	ZINC001006103721	667541743	/nfs/dbraw/zinc/54/17/43/667541743.db2.gz	MROHWCSAFHFDHO-UHFFFAOYSA-N	-1	0	314.349	0.083	20	30		DCEDRM
C=CCONC(=O)N1CCC(c2nc(C(=O)OCC)n[nH]2)CC1	ZINC000838709808	667704437	/nfs/dbraw/zinc/70/44/37/667704437.db2.gz	LAMPMDMDKYOLEK-UHFFFAOYSA-N	-1	0	323.353	0.988	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)C2(F)CCOCC2)c1	ZINC000870118303	667711491	/nfs/dbraw/zinc/71/14/91/667711491.db2.gz	AJHWLRDOCXRTMD-UHFFFAOYSA-N	-1	0	312.322	0.882	20	30		DCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCCCO1	ZINC000838972122	667722620	/nfs/dbraw/zinc/72/26/20/667722620.db2.gz	PORJJKVSSODGBN-ZDUSSCGKSA-N	-1	0	309.347	0.717	20	30		DCEDRM
Cc1nn(C)c(C)c1OCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123002935	667723673	/nfs/dbraw/zinc/72/36/73/667723673.db2.gz	NPYSXEGKVOFACR-LLVKDONJSA-N	-1	0	315.333	0.741	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H]1CCOC[C@@H]1OCC	ZINC000870330269	667731761	/nfs/dbraw/zinc/73/17/61/667731761.db2.gz	BQHXNCNBBLRJTM-NEPJUHHUSA-N	-1	0	303.380	0.287	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCCN2C(=O)CC)CC1	ZINC000870833037	667764866	/nfs/dbraw/zinc/76/48/66/667764866.db2.gz	VGVRBTHITBUELD-LLVKDONJSA-N	-1	0	314.407	0.942	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN(C(C)=O)C2)CC1	ZINC000870834470	667764992	/nfs/dbraw/zinc/76/49/92/667764992.db2.gz	FFBOSFHIENSVPL-LBPRGKRZSA-N	-1	0	300.380	0.410	20	30		DCEDRM
C#CCOc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1	ZINC000743325886	667806499	/nfs/dbraw/zinc/80/64/99/667806499.db2.gz	STHNPMYNRLPVTA-UHFFFAOYSA-N	-1	0	320.330	0.473	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])sc1C	ZINC000871939833	667858403	/nfs/dbraw/zinc/85/84/03/667858403.db2.gz	HXENXYRHJCLNHP-UHFFFAOYSA-N	-1	0	303.361	0.683	20	30		DCEDRM
Cc1cc(C#N)ccc1COC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000748934201	667943043	/nfs/dbraw/zinc/94/30/43/667943043.db2.gz	JLDFLUJLULLBDD-UHFFFAOYSA-N	-1	0	323.312	0.995	20	30		DCEDRM
Cn1ncc2c1ncn(N=Cc1cc(F)c([O-])c(F)c1)c2=O	ZINC000749860283	667965954	/nfs/dbraw/zinc/96/59/54/667965954.db2.gz	WHBIDVBKDFCDFV-UHFFFAOYSA-N	-1	0	305.244	0.996	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cccc2nccnc21	ZINC000755809017	668066987	/nfs/dbraw/zinc/06/69/87/668066987.db2.gz	GQHKWZRFGGINBN-UHFFFAOYSA-N	-1	0	304.331	0.993	20	30		DCEDRM
COCCN(C)S(=O)(=O)[N-]C(=O)/C=C\c1ccccc1C#N	ZINC000757333811	668126064	/nfs/dbraw/zinc/12/60/64/668126064.db2.gz	DQRPUMLZMOKGPV-FPLPWBNLSA-N	-1	0	323.374	0.511	20	30		DCEDRM
CC(N=Nc1ccc(C(N)=O)nn1)c1cc(C(=O)[O-])ccc1O	ZINC000757464681	668136131	/nfs/dbraw/zinc/13/61/31/668136131.db2.gz	FEMTUQKANABLKR-UHFFFAOYSA-N	-1	0	315.289	0.815	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cccc3nonc32)c1C#N	ZINC000758409289	668173355	/nfs/dbraw/zinc/17/33/55/668173355.db2.gz	YVOVFTCXOHMGJE-UHFFFAOYSA-N	-1	0	304.291	0.927	20	30		DCEDRM
COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000758505693	668180420	/nfs/dbraw/zinc/18/04/20/668180420.db2.gz	UCBLOXQJAFFLHP-SNVBAGLBSA-N	-1	0	324.358	0.703	20	30		DCEDRM
COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000758505438	668180498	/nfs/dbraw/zinc/18/04/98/668180498.db2.gz	RHUCIVCZNYBAFR-VIFPVBQESA-N	-1	0	310.331	0.562	20	30		DCEDRM
C=CCONC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC000874403216	668181079	/nfs/dbraw/zinc/18/10/79/668181079.db2.gz	QIKYXBDOWDTMJW-MNOVXSKESA-N	-1	0	308.338	0.737	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)nc1	ZINC000759809206	668239596	/nfs/dbraw/zinc/23/95/96/668239596.db2.gz	JOEOGIRHXLRHAG-JTQLQIEISA-N	-1	0	314.363	0.876	20	30		DCEDRM
COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000760256214	668265347	/nfs/dbraw/zinc/26/53/47/668265347.db2.gz	NRVUNVKUWOLARX-UHFFFAOYSA-N	-1	0	311.319	0.232	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc2nccnc2c1	ZINC000761143256	668308953	/nfs/dbraw/zinc/30/89/53/668308953.db2.gz	BRTJYGSAIBXAFT-UHFFFAOYSA-N	-1	0	304.331	0.993	20	30		DCEDRM
N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000762141784	668349002	/nfs/dbraw/zinc/34/90/02/668349002.db2.gz	VIJATITUIIQMHP-LLVKDONJSA-N	-1	0	324.358	0.685	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(F)c(OC)c(F)c1	ZINC000926485828	668409048	/nfs/dbraw/zinc/40/90/48/668409048.db2.gz	BZARXEPGELVSBQ-UHFFFAOYSA-N	-1	0	319.285	0.682	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)CCc1ccc(C#N)cc1	ZINC000763442951	668409577	/nfs/dbraw/zinc/40/95/77/668409577.db2.gz	BWAPWPLRSLTENE-UHFFFAOYSA-N	-1	0	323.374	0.073	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)N1CCc2c(CC#N)cccc2C1	ZINC000927217212	668455713	/nfs/dbraw/zinc/45/57/13/668455713.db2.gz	YZZCXKBEABRBMK-UHFFFAOYSA-N	-1	0	302.334	0.498	20	30		DCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)NCCCOCC)nn1	ZINC000766612811	668539976	/nfs/dbraw/zinc/53/99/76/668539976.db2.gz	DRDFBXJHKYTSIX-LLVKDONJSA-N	-1	0	307.354	0.553	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCCO1	ZINC000766988980	668556241	/nfs/dbraw/zinc/55/62/41/668556241.db2.gz	ULGOTRDFYXXEQO-LLVKDONJSA-N	-1	0	324.358	0.941	20	30		DCEDRM
O=C([O-])Cn1cc(C=NNC(=S)NCc2ccccc2)nn1	ZINC000768477802	668611266	/nfs/dbraw/zinc/61/12/66/668611266.db2.gz	ZODPGDOQLPEQDO-UHFFFAOYSA-N	-1	0	318.362	0.361	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c(C)[nH]c(C(=O)OC)c1C	ZINC000772720117	668782630	/nfs/dbraw/zinc/78/26/30/668782630.db2.gz	BAFXVTDGIBKLQN-UHFFFAOYSA-N	-1	0	300.336	0.664	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCN(C)C2=O)n1	ZINC000772525378	668776585	/nfs/dbraw/zinc/77/65/85/668776585.db2.gz	YOQFUKPBDRHMED-VHSXEESVSA-N	-1	0	321.358	0.649	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1nc2ccccc2c(=O)[nH]1	ZINC000772715069	668781866	/nfs/dbraw/zinc/78/18/66/668781866.db2.gz	DRBCHPGFTBQAJG-UHFFFAOYSA-N	-1	0	321.358	0.900	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(CS(C)(=O)=O)c1	ZINC000772718208	668782263	/nfs/dbraw/zinc/78/22/63/668782263.db2.gz	OZFJVDIOOVCAIU-UHFFFAOYSA-N	-1	0	317.388	0.477	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1c(C)nc2ccnn2c1C	ZINC000772717398	668782363	/nfs/dbraw/zinc/78/23/63/668782363.db2.gz	QGELZMDUTDLIAK-UHFFFAOYSA-N	-1	0	322.390	0.911	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000773628985	668809564	/nfs/dbraw/zinc/80/95/64/668809564.db2.gz	ORWULJDKHBPXSD-UHFFFAOYSA-N	-1	0	323.353	0.533	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC000775243127	668859736	/nfs/dbraw/zinc/85/97/36/668859736.db2.gz	PGJZENSUILEOQT-UHFFFAOYSA-N	-1	0	313.379	0.961	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000775255493	668859914	/nfs/dbraw/zinc/85/99/14/668859914.db2.gz	RXCBRMDPUKPIOP-UHFFFAOYSA-N	-1	0	320.330	0.555	20	30		DCEDRM
CC(C)C(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776117127	668871213	/nfs/dbraw/zinc/87/12/13/668871213.db2.gz	JUDVUATZYVGKOB-LLVKDONJSA-N	-1	0	315.395	0.383	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cn1ncc2ccccc21	ZINC000776122295	668871264	/nfs/dbraw/zinc/87/12/64/668871264.db2.gz	OVYFJSCYNZERAR-UHFFFAOYSA-N	-1	0	306.347	0.786	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)CCCCC(N)=O)cc2=O	ZINC000805562882	668872068	/nfs/dbraw/zinc/87/20/68/668872068.db2.gz	HDLCNCNZYBIVKB-UHFFFAOYSA-N	-1	0	317.305	0.395	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC000776706387	668880174	/nfs/dbraw/zinc/88/01/74/668880174.db2.gz	ZDJRZUSWERPYIG-UHFFFAOYSA-N	-1	0	323.374	0.833	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H](C)NC(=O)OC(C)(C)C	ZINC000777351810	668886608	/nfs/dbraw/zinc/88/66/08/668886608.db2.gz	OYPWJZHJRPKOEK-VIFPVBQESA-N	-1	0	306.384	0.922	20	30		DCEDRM
COC[C@@H](C)NC(=S)NN=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000777423093	668887313	/nfs/dbraw/zinc/88/73/13/668887313.db2.gz	CCIYVFKQTRXBCV-MRVPVSSYSA-N	-1	0	311.363	0.923	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnc(OCC)cn1	ZINC000778606468	668901755	/nfs/dbraw/zinc/90/17/55/668901755.db2.gz	WZXPPLFCPUWMJU-NSHDSACASA-N	-1	0	320.349	0.741	20	30		DCEDRM
CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779316020	668909494	/nfs/dbraw/zinc/90/94/94/668909494.db2.gz	KOUNKBNUSTTWLS-VIFPVBQESA-N	-1	0	301.368	0.041	20	30		DCEDRM
N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)c1	ZINC000781501491	669046699	/nfs/dbraw/zinc/04/66/99/669046699.db2.gz	UUXVYSIALRIGGY-CYBMUJFWSA-N	-1	0	324.358	0.562	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)cc1	ZINC000781498882	669046770	/nfs/dbraw/zinc/04/67/70/669046770.db2.gz	BIDOIHKZNDKFTO-CQSZACIVSA-N	-1	0	323.370	0.937	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCOC1	ZINC000781592697	669052190	/nfs/dbraw/zinc/05/21/90/669052190.db2.gz	YQWZDCZCBNSAHK-VIFPVBQESA-N	-1	0	312.322	0.929	20	30		DCEDRM
Cn1nncc1S(=O)(=O)[N-]C(=O)/C=C/c1ccccc1C#N	ZINC000781737604	669059869	/nfs/dbraw/zinc/05/98/69/669059869.db2.gz	MZBVIJPPTMREEM-VOTSOKGWSA-N	-1	0	317.330	0.205	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)OCc2cc(=O)n3[n-]cc(C#N)c3n2)CO1	ZINC000784873512	669226360	/nfs/dbraw/zinc/22/63/60/669226360.db2.gz	BVOMYOQMWIZWLY-BDAKNGLRSA-N	-1	0	302.290	0.775	20	30		DCEDRM
CC#CCNCc1cn(CC(=O)[N-]OCc2ccccc2)nn1	ZINC000881053201	669289925	/nfs/dbraw/zinc/28/99/25/669289925.db2.gz	RBUPFMBYHQZEFP-UHFFFAOYSA-N	-1	0	313.361	0.639	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc2c1ncn2C	ZINC000805853788	669403992	/nfs/dbraw/zinc/40/39/92/669403992.db2.gz	NGESITLBCXHOTO-JTQLQIEISA-N	-1	0	301.306	0.053	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(CC(F)F)n1	ZINC000789404201	669490786	/nfs/dbraw/zinc/49/07/86/669490786.db2.gz	QAOYNIZYGPWXKG-QMMMGPOBSA-N	-1	0	300.265	0.233	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)cc1	ZINC000789799865	669510432	/nfs/dbraw/zinc/51/04/32/669510432.db2.gz	RVXDFZFJTNUFLD-UHFFFAOYSA-N	-1	0	305.319	0.045	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)cc1C	ZINC000791110380	669594541	/nfs/dbraw/zinc/59/45/41/669594541.db2.gz	CGTMRYNYMYYXAI-UHFFFAOYSA-N	-1	0	318.358	0.659	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2	ZINC000791111737	669594587	/nfs/dbraw/zinc/59/45/87/669594587.db2.gz	XFFWQBIZPIUKEF-UHFFFAOYSA-N	-1	0	308.315	0.100	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(C)nn(CC(F)F)c1C	ZINC000810782443	669678656	/nfs/dbraw/zinc/67/86/56/669678656.db2.gz	MSJPRDSMFUZJNZ-UHFFFAOYSA-N	-1	0	319.333	0.848	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C1CCCC1	ZINC000810785195	669688953	/nfs/dbraw/zinc/68/89/53/669688953.db2.gz	AWTBVPYTMYFUFS-JTQLQIEISA-N	-1	0	300.380	0.151	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc(OCC2CC2)cn1	ZINC000793124910	669702999	/nfs/dbraw/zinc/70/29/99/669702999.db2.gz	NMAMVQZYTMFZDL-NSHDSACASA-N	-1	0	300.318	0.890	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2ccccc2[N+](=O)[O-])CC1	ZINC000793211343	669708124	/nfs/dbraw/zinc/70/81/24/669708124.db2.gz	BEDKHXNCNHXICH-UHFFFAOYSA-N	-1	0	323.330	0.887	20	30		DCEDRM
Cn1ncc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)n1	ZINC000793281617	669711854	/nfs/dbraw/zinc/71/18/54/669711854.db2.gz	URVZBSKZBJWHLI-SECBINFHSA-N	-1	0	319.271	0.732	20	30		DCEDRM
CN(C)c1ccccc1CNN=Cc1cn(CC(=O)[O-])nn1	ZINC000794949152	669867933	/nfs/dbraw/zinc/86/79/33/669867933.db2.gz	KMOPRXJRUCKYOF-UHFFFAOYSA-N	-1	0	302.338	0.552	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)CCc2cncnc2)c1	ZINC000796711426	669940047	/nfs/dbraw/zinc/94/00/47/669940047.db2.gz	INDWONRUSDILKQ-UHFFFAOYSA-N	-1	0	316.342	0.786	20	30		DCEDRM
CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000797227454	669960104	/nfs/dbraw/zinc/96/01/04/669960104.db2.gz	NCNRVMCDRRABHP-ONGXEEELSA-N	-1	0	303.384	0.287	20	30		DCEDRM
CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000797276104	669962005	/nfs/dbraw/zinc/96/20/05/669962005.db2.gz	QUJOSSUVOFIBRE-ONGXEEELSA-N	-1	0	315.395	0.287	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1	ZINC000797726591	669974173	/nfs/dbraw/zinc/97/41/73/669974173.db2.gz	JZFDVLGGELZAFZ-WDEREUQCSA-N	-1	0	318.395	0.624	20	30		DCEDRM
COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797953408	669982046	/nfs/dbraw/zinc/98/20/46/669982046.db2.gz	FEBFTBLATJATJC-UHFFFAOYSA-N	-1	0	301.324	0.013	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(F)cc1)n1cnc(C#N)n1	ZINC000798811898	670025435	/nfs/dbraw/zinc/02/54/35/670025435.db2.gz	MRQUBPPKDRWWDS-MRVPVSSYSA-N	-1	0	323.309	0.355	20	30		DCEDRM
CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000798831031	670026324	/nfs/dbraw/zinc/02/63/24/670026324.db2.gz	YZUOOCVIGOPAQM-VHSXEESVSA-N	-1	0	313.383	0.593	20	30		DCEDRM
Cc1[nH]c(CN=Nc2ccc(S(N)(=O)=O)cn2)cc1C(=O)[O-]	ZINC000800810713	670100845	/nfs/dbraw/zinc/10/08/45/670100845.db2.gz	YMUIPNLLQVAWNG-UHFFFAOYSA-N	-1	0	323.334	0.510	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2)n1	ZINC000193421854	670282182	/nfs/dbraw/zinc/28/21/82/670282182.db2.gz	AMTHZEMHXJSQAO-LBPRGKRZSA-N	-1	0	313.317	0.352	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000804402846	670293222	/nfs/dbraw/zinc/29/32/22/670293222.db2.gz	PESIHPSYUVVBKT-NSHDSACASA-N	-1	0	305.334	0.820	20	30		DCEDRM
C=CCNC(=O)Cc1noc(C(C)(C)[N-]C(=O)C(F)(F)F)n1	ZINC000809460189	670452884	/nfs/dbraw/zinc/45/28/84/670452884.db2.gz	SJFSRMIYYYXTJD-UHFFFAOYSA-N	-1	0	320.271	0.828	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1cccc([N+](=O)[O-])c1	ZINC000810774779	670496863	/nfs/dbraw/zinc/49/68/63/670496863.db2.gz	OJASQOCVSIFXHG-UHFFFAOYSA-N	-1	0	310.331	0.997	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cccnc1	ZINC000810775062	670496891	/nfs/dbraw/zinc/49/68/91/670496891.db2.gz	SZTQULSZOJEEPY-UHFFFAOYSA-N	-1	0	318.358	0.565	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H]1C(=O)Nc2ccccc21	ZINC000810775248	670497005	/nfs/dbraw/zinc/49/70/05/670497005.db2.gz	YCTUXZJJOVBBGF-LLVKDONJSA-N	-1	0	306.343	0.582	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(C)nn2C	ZINC000810773368	670497023	/nfs/dbraw/zinc/49/70/23/670497023.db2.gz	BPBOWSAAMBOOOG-UHFFFAOYSA-N	-1	0	306.347	0.360	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnc(-n2cccn2)c1	ZINC000810774912	670497032	/nfs/dbraw/zinc/49/70/32/670497032.db2.gz	QGYKXDGVICHIPW-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)cs1	ZINC000810776857	670497287	/nfs/dbraw/zinc/49/72/87/670497287.db2.gz	LDYPJMOHZKEVGV-UHFFFAOYSA-N	-1	0	321.401	0.235	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)C1CCCC1	ZINC000810777212	670497310	/nfs/dbraw/zinc/49/73/10/670497310.db2.gz	WUNHTTIRKLFHSK-LBPRGKRZSA-N	-1	0	300.380	0.151	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)n1nnnc1C(C)(C)C	ZINC000810778400	670497455	/nfs/dbraw/zinc/49/74/55/670497455.db2.gz	WLKSCLUKZQVKCU-VIFPVBQESA-N	-1	0	313.383	0.001	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(F)cc1	ZINC000810784474	670498106	/nfs/dbraw/zinc/49/81/06/670498106.db2.gz	HCUZEXCZSUPNRZ-UHFFFAOYSA-N	-1	0	312.322	0.025	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)CC1	ZINC000810984532	670502503	/nfs/dbraw/zinc/50/25/03/670502503.db2.gz	DWTPAXRYCSBUHC-LBPRGKRZSA-N	-1	0	300.380	0.457	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000811157181	670511755	/nfs/dbraw/zinc/51/17/55/670511755.db2.gz	NBBRJBPAODBGSW-GFCCVEGCSA-N	-1	0	305.396	0.840	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-]	ZINC000854545794	670585760	/nfs/dbraw/zinc/58/57/60/670585760.db2.gz	QEILTGQLHLDSFK-NSHDSACASA-N	-1	0	315.329	0.701	20	30		DCEDRM
C#CCO[N-]C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000812781606	670594923	/nfs/dbraw/zinc/59/49/23/670594923.db2.gz	AOXCXTVAANWONW-UHFFFAOYSA-N	-1	0	311.681	0.659	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)CCc2ncccn2)c1	ZINC000813057016	670608296	/nfs/dbraw/zinc/60/82/96/670608296.db2.gz	FRGFQTNIJUJJFV-UHFFFAOYSA-N	-1	0	316.342	0.786	20	30		DCEDRM
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCCC#N)c1	ZINC000813069398	670609243	/nfs/dbraw/zinc/60/92/43/670609243.db2.gz	GCRFBJUHFSSTCH-UHFFFAOYSA-N	-1	0	323.374	0.887	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000847892845	670610177	/nfs/dbraw/zinc/61/01/77/670610177.db2.gz	HTJKZUMCFPEENP-UHFFFAOYSA-N	-1	0	315.307	0.387	20	30		DCEDRM
CCCn1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)nn1	ZINC000813978500	670666635	/nfs/dbraw/zinc/66/66/35/670666635.db2.gz	FGGOZXLRUVUEAN-UHFFFAOYSA-N	-1	0	320.334	0.073	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCOC2)c1	ZINC000813979799	670666642	/nfs/dbraw/zinc/66/66/42/670666642.db2.gz	DRJOSKRZQBCERM-SNVBAGLBSA-N	-1	0	309.347	0.575	20	30		DCEDRM
CC1(OCC(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCC1	ZINC000813983068	670667530	/nfs/dbraw/zinc/66/75/30/670667530.db2.gz	GKNUEMYKDYJLKC-UHFFFAOYSA-N	-1	0	309.347	0.717	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCCO2)c1	ZINC000813981235	670667752	/nfs/dbraw/zinc/66/77/52/670667752.db2.gz	VQWXHERMPGMINA-LLVKDONJSA-N	-1	0	309.347	0.717	20	30		DCEDRM
C=C[C@@H](O)C(=O)OCC(=O)c1ccc(OC)c2c([O-])coc21	ZINC000814547798	670695486	/nfs/dbraw/zinc/69/54/86/670695486.db2.gz	HPCGURIJGKVOFB-SECBINFHSA-N	-1	0	306.270	0.543	20	30		DCEDRM
O=C([O-])C1(c2ccccc2)CC(=NN[C@@H]2CCS(=O)(=O)C2)C1	ZINC000814680109	670701915	/nfs/dbraw/zinc/70/19/15/670701915.db2.gz	AVWZYWWBLFHOAP-KEKZHRQWSA-N	-1	0	322.386	0.936	20	30		DCEDRM
CC(=NNC(=S)NCC(N)=O)c1csc(C(=O)[O-])c1	ZINC000814844574	670705140	/nfs/dbraw/zinc/70/51/40/670705140.db2.gz	LHQUODICQQTIFB-UHFFFAOYSA-N	-1	0	300.365	0.120	20	30		DCEDRM
CS(=O)(=O)CCNN=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814849103	670705911	/nfs/dbraw/zinc/70/59/11/670705911.db2.gz	IHMFJXJJIFTZHF-UHFFFAOYSA-N	-1	0	310.375	0.793	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](Cc1cccc(OC)c1)n1nnnc1C	ZINC000855603540	670734976	/nfs/dbraw/zinc/73/49/76/670734976.db2.gz	RGJUTCAXIQOPIJ-AWEZNQCLSA-N	-1	0	315.333	0.455	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(C(=O)N(C)C)c1	ZINC000849219521	670766040	/nfs/dbraw/zinc/76/60/40/670766040.db2.gz	ZRZQUPBJGRNPHS-UHFFFAOYSA-N	-1	0	324.358	0.097	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000815952561	670774475	/nfs/dbraw/zinc/77/44/75/670774475.db2.gz	OPCHWVUDHXFPEZ-UHFFFAOYSA-N	-1	0	302.315	0.775	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)C2(C)C	ZINC000816056503	670783919	/nfs/dbraw/zinc/78/39/19/670783919.db2.gz	VKQYMTHUHSBZOL-UHFFFAOYSA-N	-1	0	320.370	0.999	20	30		DCEDRM
C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N	ZINC000816128463	670788851	/nfs/dbraw/zinc/78/88/51/670788851.db2.gz	LCUMELOTJCMRIF-OIBJUYFYSA-N	-1	0	309.303	0.927	20	30		DCEDRM
N#Cc1cnn(C([O-])=C(C[C@@H]2COCCO2)C(F)(F)F)c1N	ZINC000857039714	670876764	/nfs/dbraw/zinc/87/67/64/670876764.db2.gz	GSSYXBNSFWBGII-BDAKNGLRSA-N	-1	0	318.255	0.961	20	30		DCEDRM
COC[C@H](OC)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000850198836	670893782	/nfs/dbraw/zinc/89/37/82/670893782.db2.gz	NGVVLTZUTQPOEU-JTQLQIEISA-N	-1	0	306.278	0.011	20	30		DCEDRM
C#CC[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccccc1	ZINC000817111024	670895684	/nfs/dbraw/zinc/89/56/84/670895684.db2.gz	RFZVVYKDZAXNLP-KBPBESRZSA-N	-1	0	314.341	0.800	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)[N-]OCC2CCC2)n(CCC#N)n1	ZINC000850718321	670935791	/nfs/dbraw/zinc/93/57/91/670935791.db2.gz	MJPDBZPOMWHPPW-UHFFFAOYSA-N	-1	0	305.338	0.892	20	30		DCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000850843949	670948627	/nfs/dbraw/zinc/94/86/27/670948627.db2.gz	SJILAQUCFBSSMJ-SNVBAGLBSA-N	-1	0	304.368	0.178	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000817883741	670950763	/nfs/dbraw/zinc/95/07/63/670950763.db2.gz	TXSVTMLYNMGEMS-UHFFFAOYSA-N	-1	0	304.302	0.570	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000817891834	670951399	/nfs/dbraw/zinc/95/13/99/670951399.db2.gz	OGLVXONHEFIGII-MNOVXSKESA-N	-1	0	312.391	0.038	20	30		DCEDRM
CO[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)C1	ZINC000850960309	670957902	/nfs/dbraw/zinc/95/79/02/670957902.db2.gz	DGJDMZBKDASOOB-QWRGUYRKSA-N	-1	0	300.380	0.941	20	30		DCEDRM
CC(C)(C)OC(=O)[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)C1CC1	ZINC000851015249	670961499	/nfs/dbraw/zinc/96/14/99/670961499.db2.gz	BKKZSSNYRAQIBI-SNVBAGLBSA-N	-1	0	316.379	0.714	20	30		DCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)CCC#N)c(-c2ccco2)n1	ZINC000851016278	670961154	/nfs/dbraw/zinc/96/11/54/670961154.db2.gz	OTDWXGYWLKPJFA-UHFFFAOYSA-N	-1	0	308.319	0.653	20	30		DCEDRM
CC(=O)N[C@H](CCC(C)C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000851016159	670961185	/nfs/dbraw/zinc/96/11/85/670961185.db2.gz	NIXAUNLBTCNTEG-LLVKDONJSA-N	-1	0	303.384	0.287	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851328667	670978257	/nfs/dbraw/zinc/97/82/57/670978257.db2.gz	MVHBKKBNJNFEBV-UHFFFAOYSA-N	-1	0	311.319	0.988	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)CCOCC1	ZINC000819937716	671148085	/nfs/dbraw/zinc/14/80/85/671148085.db2.gz	VKOYEPUSIOMXJX-UHFFFAOYSA-N	-1	0	313.379	0.598	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2COC(=O)N2)n1	ZINC000859910263	671156648	/nfs/dbraw/zinc/15/66/48/671156648.db2.gz	MQUBLEJTHSXAQA-SFYZADRCSA-N	-1	0	309.303	0.279	20	30		DCEDRM
CCOc1cc(/C=C\C(=O)N[C@@H]2CCN(O)C2=O)ccc1O	ZINC000820149416	671172177	/nfs/dbraw/zinc/17/21/77/671172177.db2.gz	OTWCBVWWWDAUIR-VLWUPBBWSA-N	-1	0	306.318	0.910	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)COCC(F)F)cc2=O	ZINC000860045702	671172270	/nfs/dbraw/zinc/17/22/70/671172270.db2.gz	LKPFOYXLGLYJGJ-UHFFFAOYSA-N	-1	0	312.232	0.631	20	30		DCEDRM
COC(=O)c1oc(C(=O)[N-]S(=O)(=O)CCC#N)cc1C	ZINC000860753145	671234970	/nfs/dbraw/zinc/23/49/70/671234970.db2.gz	STJCPDNPPJVCCU-UHFFFAOYSA-N	-1	0	300.292	0.348	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C/c2cc(F)ccc2F)c(=O)n(C)c1=O	ZINC000821012919	671246176	/nfs/dbraw/zinc/24/61/76/671246176.db2.gz	QJDKCXALQAPCHO-ZZXKWVIFSA-N	-1	0	322.267	0.964	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2C[C@@H]3CC=CC[C@@H]3C2)c(=O)[n-]c1=O	ZINC000825391682	671459394	/nfs/dbraw/zinc/45/93/94/671459394.db2.gz	DIZJUOLPFURNCO-TXEJJXNPSA-N	-1	0	314.345	0.635	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)NCc1cccs1	ZINC000826383014	671487017	/nfs/dbraw/zinc/48/70/17/671487017.db2.gz	GISRASCTYCINRR-UHFFFAOYSA-N	-1	0	314.334	0.313	20	30		DCEDRM
CC(C)CN(CC(F)(F)F)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000826870898	671504164	/nfs/dbraw/zinc/50/41/64/671504164.db2.gz	GFPOBKJGXQQRMZ-UHFFFAOYSA-N	-1	0	309.288	0.943	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1	ZINC000831088716	671652839	/nfs/dbraw/zinc/65/28/39/671652839.db2.gz	KJNZYBVBIKKHQS-WDEREUQCSA-N	-1	0	323.349	0.728	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000835028586	671786397	/nfs/dbraw/zinc/78/63/97/671786397.db2.gz	MYEAMFKAXMWGTL-SECBINFHSA-N	-1	0	312.303	0.438	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCN(c2ccccc2)C1	ZINC000835371358	671794614	/nfs/dbraw/zinc/79/46/14/671794614.db2.gz	GLNIWESMRIBYCH-ZDUSSCGKSA-N	-1	0	306.387	0.982	20	30		DCEDRM
CC1(C)c2cc(C(=O)[N-]S(=O)(=O)CCC#N)ccc2NC1=O	ZINC000835410780	671795560	/nfs/dbraw/zinc/79/55/60/671795560.db2.gz	IRABRDYAPOGGEY-UHFFFAOYSA-N	-1	0	321.358	0.890	20	30		DCEDRM
C=CCO[N-]C(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O	ZINC000837050263	671844141	/nfs/dbraw/zinc/84/41/41/671844141.db2.gz	YMUCSSGLXRENRU-GFCCVEGCSA-N	-1	0	320.267	0.852	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC[C@@H](Cn2c(=O)[n-]cc(C#N)c2=O)C1	ZINC000842618085	672022104	/nfs/dbraw/zinc/02/21/04/672022104.db2.gz	VDJSLGIFAGGACP-SNVBAGLBSA-N	-1	0	320.349	0.665	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cn(C3CCC3)nn2)CCC1	ZINC000842763989	672035258	/nfs/dbraw/zinc/03/52/58/672035258.db2.gz	QENFIZVVJMMCCF-UHFFFAOYSA-N	-1	0	323.378	0.757	20	30		DCEDRM
CCCCN(C)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844815241	672204710	/nfs/dbraw/zinc/20/47/10/672204710.db2.gz	GGZOLANTDQUKIC-UHFFFAOYSA-N	-1	0	302.396	0.763	20	30		DCEDRM
COCCN(CCOC)C(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844820218	672205067	/nfs/dbraw/zinc/20/50/67/672205067.db2.gz	YGYDITMMADNAHD-UHFFFAOYSA-N	-1	0	312.366	0.501	20	30		DCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)n1ccnc1	ZINC000845519136	672254849	/nfs/dbraw/zinc/25/48/49/672254849.db2.gz	JNJSVIVZSNKEMF-NSHDSACASA-N	-1	0	310.379	0.974	20	30		DCEDRM
C#CC[C@H](Cc1ccccc1)NC(=O)NCC(=O)[N-]OCC	ZINC000845532724	672255985	/nfs/dbraw/zinc/25/59/85/672255985.db2.gz	NVUMBFPUCNIZJF-CQSZACIVSA-N	-1	0	303.362	0.988	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1	ZINC000846155712	672297877	/nfs/dbraw/zinc/29/78/77/672297877.db2.gz	XTTJKQSEAHYVGG-JQWIXIFHSA-N	-1	0	317.345	0.851	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccccc1CC(=O)OC	ZINC000846154981	672297944	/nfs/dbraw/zinc/29/79/44/672297944.db2.gz	RJKXUTTWSJNIHB-JTQLQIEISA-N	-1	0	306.318	0.963	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F	ZINC000846156339	672298190	/nfs/dbraw/zinc/29/81/90/672298190.db2.gz	LBWKMYHVQSBFRJ-VXNVDRBHSA-N	-1	0	320.271	0.762	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(CC(=O)OC)cc1	ZINC000846156727	672298260	/nfs/dbraw/zinc/29/82/60/672298260.db2.gz	XVKXVGOXIVBQGH-SNVBAGLBSA-N	-1	0	306.318	0.963	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1	ZINC000846536993	672326394	/nfs/dbraw/zinc/32/63/94/672326394.db2.gz	DDWMCOSRQRBGKE-ZDUSSCGKSA-N	-1	0	302.334	0.731	20	30		DCEDRM
C#CCO[N-]C(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2	ZINC000846654796	672333544	/nfs/dbraw/zinc/33/35/44/672333544.db2.gz	ZVAGGCMRQJMURA-IAQYHMDHSA-N	-1	0	310.350	0.551	20	30		DCEDRM
CC[C@@H](C(=O)[O-])N(C)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000846715028	672340020	/nfs/dbraw/zinc/34/00/20/672340020.db2.gz	LIFPYXBEXLGIEX-XRNDOFNESA-N	-1	0	309.322	0.225	20	30		DCEDRM
COCCCOCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771080567	685336930	/nfs/dbraw/zinc/33/69/30/685336930.db2.gz	FJAWWGPUBLSGAG-UHFFFAOYSA-N	-1	0	304.368	0.179	20	30		DCEDRM
COC(=O)CSCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793196282	685343738	/nfs/dbraw/zinc/34/37/38/685343738.db2.gz	UBSHXTVGLOWETB-UHFFFAOYSA-N	-1	0	320.392	0.032	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@H](OC)C1CC1	ZINC000796851883	685345937	/nfs/dbraw/zinc/34/59/37/685345937.db2.gz	VZECXYKLQIKAOB-CYBMUJFWSA-N	-1	0	324.358	0.797	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1cnn(C)c1	ZINC000798849226	685347792	/nfs/dbraw/zinc/34/77/92/685347792.db2.gz	XEECHEQLIJUVOB-SNVBAGLBSA-N	-1	0	314.367	0.103	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCc2cnn(C)c2C1	ZINC000798843665	685347896	/nfs/dbraw/zinc/34/78/96/685347896.db2.gz	KEUDTXIIFZVUMI-ZYHUDNBSSA-N	-1	0	311.345	0.850	20	30		DCEDRM
N#CCN1CCCC[C@H]1CNC(=O)c1c[n-]n2c1nccc2=O	ZINC001024694545	693818450	/nfs/dbraw/zinc/81/84/50/693818450.db2.gz	JCVVTQSHLNDOOF-NSHDSACASA-N	-1	0	314.349	0.130	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)N(C)C)o1	ZINC000092463688	685108746	/nfs/dbraw/zinc/10/87/46/685108746.db2.gz	UTFYFQLDLWEYSZ-UHFFFAOYSA-N	-1	0	316.335	0.243	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000133543506	685120914	/nfs/dbraw/zinc/12/09/14/685120914.db2.gz	FEPHYSWPCNUKEL-LBPRGKRZSA-N	-1	0	313.273	0.849	20	30		DCEDRM
C[C@H]1CCN(CC#N)C[C@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000968540477	690311224	/nfs/dbraw/zinc/31/12/24/690311224.db2.gz	VNQGHQGXIPGRPI-GXSJLCMTSA-N	-1	0	315.333	0.892	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001570952667	1162653461	/nfs/dbraw/zinc/65/34/61/1162653461.db2.gz	QUJPKFLDWPZVRA-LSSIXWDNSA-N	-1	0	319.409	0.907	20	30		DCEDRM
CNC(=O)N[C@@H]1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001447476331	1159649164	/nfs/dbraw/zinc/64/91/64/1159649164.db2.gz	KBLSBMIWGWPMFT-SNVBAGLBSA-N	-1	0	303.322	0.111	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001569905312	1161310249	/nfs/dbraw/zinc/31/02/49/1161310249.db2.gz	AZZZMNCKLVFPOP-STQMWFEESA-N	-1	0	317.393	0.879	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)C(=O)[O-]	ZINC001573308517	1161558432	/nfs/dbraw/zinc/55/84/32/1161558432.db2.gz	YMLPWXWUNJQOBI-JGVFFNPUSA-N	-1	0	312.775	0.156	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573385344	1163420322	/nfs/dbraw/zinc/42/03/22/1163420322.db2.gz	YSKBBUKDNUGKSH-FDYHWXHSSA-N	-1	0	306.362	0.664	20	30		DCEDRM
C[C@@H](NC(=O)c1ccccc1OCC#N)c1nc(C(=O)[O-])n[nH]1	ZINC001573571847	1163507659	/nfs/dbraw/zinc/50/76/59/1163507659.db2.gz	MRARLOWTIRACMJ-MRVPVSSYSA-N	-1	0	315.289	0.896	20	30		DCEDRM
C[C@H](NS(=O)(=O)CC(C)(C)CC#N)c1nc(C(=O)[O-])n[nH]1	ZINC001573578825	1163509830	/nfs/dbraw/zinc/50/98/30/1163509830.db2.gz	NYZKWERBCIJNIR-ZETCQYMHSA-N	-1	0	315.355	0.423	20	30		DCEDRM
COC(=O)c1ccc(N2CCO[C@@](C)(C(=O)[O-])C2)c(C#N)n1	ZINC001573940780	1163593464	/nfs/dbraw/zinc/59/34/64/1163593464.db2.gz	PXRQSYSJFWZPCW-CQSZACIVSA-N	-1	0	305.290	0.420	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NCc1[nH]cnc1C(=O)[O-]	ZINC001574149831	1163649039	/nfs/dbraw/zinc/64/90/39/1163649039.db2.gz	QOSOHUXKYNKDDY-UHFFFAOYSA-N	-1	0	320.330	0.767	20	30		DCEDRM
N#C[C@@]12CN(c3ncc(C(=O)[O-])s3)C[C@H]1CS(=O)(=O)C2	ZINC001574242002	1163672596	/nfs/dbraw/zinc/67/25/96/1163672596.db2.gz	SXIBZNCVVVRSHZ-CPCISQLKSA-N	-1	0	313.360	0.216	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)NCc2[nH]cnc2C(=O)[O-])cc1	ZINC001574245665	1163673392	/nfs/dbraw/zinc/67/33/92/1163673392.db2.gz	WFCUGDGQUKXHFM-GFCCVEGCSA-N	-1	0	300.274	0.329	20	30		DCEDRM
N#Cc1ccc(C(=O)NCc2nc(CC(=O)[O-])cs2)cn1	ZINC001574245682	1163673705	/nfs/dbraw/zinc/67/37/05/1163673705.db2.gz	XDWNDTGTHFNGOC-UHFFFAOYSA-N	-1	0	302.315	0.967	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)NCc2cc(C(=O)[O-])no2)c1	ZINC001574250069	1163675058	/nfs/dbraw/zinc/67/50/58/1163675058.db2.gz	RSYYYPOZCLXYFO-UHFFFAOYSA-N	-1	0	321.314	0.864	20	30		DCEDRM
C[C@@H](O)CC(C)(C)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001575470663	1164025539	/nfs/dbraw/zinc/02/55/39/1164025539.db2.gz	DLJWBTBCCLLHGM-MRVPVSSYSA-N	-1	0	302.342	0.737	20	30		DCEDRM
CC1(C)CCC[C@]1(O)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001575674798	1164100223	/nfs/dbraw/zinc/10/02/23/1164100223.db2.gz	VVMLVXLLACYGIB-AWEZNQCLSA-N	-1	0	314.353	0.881	20	30		DCEDRM
CCc1noc(C)c1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001578710029	1165089411	/nfs/dbraw/zinc/08/94/11/1165089411.db2.gz	BRTNQULZSGAIIL-UHFFFAOYSA-N	-1	0	313.281	0.573	20	30		DCEDRM
CN(C[C@H]1CCCOC1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579079830	1165203096	/nfs/dbraw/zinc/20/30/96/1165203096.db2.gz	JAWZOHHHEJXWSW-SECBINFHSA-N	-1	0	300.326	0.391	20	30		DCEDRM
CN(c1cnc(-c2nn[nH]n2)c(C#N)n1)C1CCC(CO)CC1	ZINC001579285227	1165259555	/nfs/dbraw/zinc/25/95/55/1165259555.db2.gz	SUPQWFGUBXUGLG-UHFFFAOYSA-N	-1	0	314.353	0.516	20	30		DCEDRM
C[C@@]12CSC[C@@H]1CN(c1cnc(C#N)c(-c3nnn[n-]3)n1)C2	ZINC001580391108	1165591923	/nfs/dbraw/zinc/59/19/23/1165591923.db2.gz	BPGMPVVRYUQKQD-ISVAXAHUSA-N	-1	0	314.378	0.718	20	30		DCEDRM
N#Cc1nc(NC(=O)C[C@H]2CCCC[C@@H]2O)[n-]c1-c1nn[nH]n1	ZINC001581860371	1165892565	/nfs/dbraw/zinc/89/25/65/1165892565.db2.gz	XLHOGNOKRHVPFQ-APPZFPTMSA-N	-1	0	316.325	0.341	20	30		DCEDRM
N#CCOc1ccc(Cn2ccc(-c3nnn[n-]3)cc2=O)cc1	ZINC001581858463	1165892741	/nfs/dbraw/zinc/89/27/41/1165892741.db2.gz	HDAGPWYOJHTBEA-UHFFFAOYSA-N	-1	0	308.301	0.979	20	30		DCEDRM
C=CCCCC(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001585083026	1166399081	/nfs/dbraw/zinc/39/90/81/1166399081.db2.gz	HBJLXWZRLXVJIV-UHFFFAOYSA-N	-1	0	321.337	0.018	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)CCCCOc1cccc(C#N)c1	ZINC001585639122	1166445088	/nfs/dbraw/zinc/44/50/88/1166445088.db2.gz	VFPWMMFFCQMRFV-UHFFFAOYSA-N	-1	0	305.334	0.901	20	30		DCEDRM
C=CC[C@@H]1CCCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1	ZINC001588560664	1166563669	/nfs/dbraw/zinc/56/36/69/1166563669.db2.gz	UBNNORWUBLLCRP-GHMZBOCLSA-N	-1	0	316.369	0.834	20	30		DCEDRM
C=CCCCC(=O)NCCCNc1ccnc(-c2nnn[n-]2)n1	ZINC001588590861	1166564504	/nfs/dbraw/zinc/56/45/04/1166564504.db2.gz	YULKUTPEHXZMQF-UHFFFAOYSA-N	-1	0	316.369	0.353	20	30		DCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1	ZINC001588590977	1166565872	/nfs/dbraw/zinc/56/58/72/1166565872.db2.gz	ZSZGJCDRPWQRSY-UHFFFAOYSA-N	-1	0	322.350	0.423	20	30		DCEDRM
C=CCOCCCNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001588682699	1166579198	/nfs/dbraw/zinc/57/91/98/1166579198.db2.gz	PMSKJQKXANPWEZ-UHFFFAOYSA-N	-1	0	318.337	0.598	20	30		DCEDRM
C[C@@H](C(=O)N[C@@H](C#N)C1CCCC1)n1cnc(-c2nnn[n-]2)n1	ZINC001588966250	1166623150	/nfs/dbraw/zinc/62/31/50/1166623150.db2.gz	XGNBZCXHDWWZFN-WPRPVWTQSA-N	-1	0	315.341	0.218	20	30		DCEDRM
CC(C)O[C@@H]1CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001589740043	1166680774	/nfs/dbraw/zinc/68/07/74/1166680774.db2.gz	VBHDWZYECWAOOJ-SNVBAGLBSA-N	-1	0	314.353	0.922	20	30		DCEDRM
C[C@H](NCC#N)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001589959444	1166729559	/nfs/dbraw/zinc/72/95/59/1166729559.db2.gz	ZCPSOSPUBAYSHF-UWVGGRQHSA-N	-1	0	314.353	0.159	20	30		DCEDRM
C[C@H](O)[C@@H]1CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001589995087	1166740256	/nfs/dbraw/zinc/74/02/56/1166740256.db2.gz	JIYAOAGZBDFPMT-DTWKUNHWSA-N	-1	0	300.326	0.126	20	30		DCEDRM
C[C@@]1(C#N)CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CCO1	ZINC001590056669	1166763977	/nfs/dbraw/zinc/76/39/77/1166763977.db2.gz	PTASKLIJLUQZJO-CQSZACIVSA-N	-1	0	314.305	0.327	20	30		DCEDRM
CC1(C)C[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)CCO1	ZINC001590084028	1166770440	/nfs/dbraw/zinc/77/04/40/1166770440.db2.gz	SMKQSWBKGFZKRJ-QMMMGPOBSA-N	-1	0	300.326	0.898	20	30		DCEDRM
C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1CC#N	ZINC001590171063	1166798433	/nfs/dbraw/zinc/79/84/33/1166798433.db2.gz	FWOJIHCPCXJSMX-UWVGGRQHSA-N	-1	0	314.353	0.301	20	30		DCEDRM
CC[C@](C)(C#N)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001590371563	1166892185	/nfs/dbraw/zinc/89/21/85/1166892185.db2.gz	DMNLAYQIJLVKKR-CYBMUJFWSA-N	-1	0	301.310	0.698	20	30		DCEDRM
CCO[C@@H]1CC(N=Nc2ccc(-c3nn[nH]n3)cn2)[C@H]1OC	ZINC001590819250	1167030380	/nfs/dbraw/zinc/03/03/80/1167030380.db2.gz	IKTFGYATMDKFHE-ZYHUDNBSSA-N	-1	0	303.326	0.853	20	30		DCEDRM
CC[C@@H]1OCC[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001590861645	1167040679	/nfs/dbraw/zinc/04/06/79/1167040679.db2.gz	NYBBJDIEDVUXFD-SVRRBLITSA-N	-1	0	302.298	0.215	20	30		DCEDRM
CN(C)c1cc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)ccn1	ZINC001591028726	1167087322	/nfs/dbraw/zinc/08/73/22/1167087322.db2.gz	HMQOQYRKOXVPFD-UHFFFAOYSA-N	-1	0	310.325	0.026	20	30		DCEDRM
CO[C@@H]1CCC[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001591362932	1167235849	/nfs/dbraw/zinc/23/58/49/1167235849.db2.gz	UODBHKYWHAJBTO-HTRCEHHLSA-N	-1	0	302.298	0.215	20	30		DCEDRM
Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N(C)CC#N	ZINC001591785639	1167382097	/nfs/dbraw/zinc/38/20/97/1167382097.db2.gz	RRXAQLSREHPQRU-UHFFFAOYSA-N	-1	0	315.337	0.499	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001591799050	1167382574	/nfs/dbraw/zinc/38/25/74/1167382574.db2.gz	AWBWSFVEFPYSOJ-UHFFFAOYSA-N	-1	0	323.320	0.068	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)N1CCCC[C@@H]1C	ZINC001592335402	1167492077	/nfs/dbraw/zinc/49/20/77/1167492077.db2.gz	QWKQVWUUWNEVLR-VIFPVBQESA-N	-1	0	314.353	0.644	20	30		DCEDRM
Cc1nn(C)c(Cl)c1Cn1c(C)nc(-c2nnn[n-]2)c1C#N	ZINC001592431457	1167521213	/nfs/dbraw/zinc/52/12/13/1167521213.db2.gz	YFLMAGRKVGZURG-UHFFFAOYSA-N	-1	0	317.744	0.987	20	30		DCEDRM
Cc1oc(-c2nn[nH]n2)cc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001592494725	1167536410	/nfs/dbraw/zinc/53/64/10/1167536410.db2.gz	CABMJLRHXZSCEX-JTQLQIEISA-N	-1	0	314.305	0.713	20	30		DCEDRM
N#CCCn1ccc(NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)n1	ZINC001592677246	1167596861	/nfs/dbraw/zinc/59/68/61/1167596861.db2.gz	HNNGVFOKZHVJJB-UHFFFAOYSA-N	-1	0	324.304	0.935	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(F)cc2N)[n-]c1-c1nn[nH]n1	ZINC001592681761	1167600425	/nfs/dbraw/zinc/60/04/25/1167600425.db2.gz	IEDNSEVUZHADIR-UHFFFAOYSA-N	-1	0	313.256	0.435	20	30		DCEDRM
N#Cc1ccc(NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)cc1	ZINC001592695244	1167602831	/nfs/dbraw/zinc/60/28/31/1167602831.db2.gz	KFMNAZOFLMDZRB-UHFFFAOYSA-N	-1	0	324.308	0.152	20	30		DCEDRM
N#Cc1ncc(N[C@H]2CCc3n[nH]cc3C2)nc1-c1nnn[n-]1	ZINC001592710297	1167609866	/nfs/dbraw/zinc/60/98/66/1167609866.db2.gz	LLKKWRMIXMISCJ-QMMMGPOBSA-N	-1	0	308.309	0.221	20	30		DCEDRM
Cc1cc(C#N)nc(NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1	ZINC001600075510	1168112553	/nfs/dbraw/zinc/11/25/53/1168112553.db2.gz	CIOKBCMLAMLIAG-QWRGUYRKSA-N	-1	0	315.333	0.438	20	30		DCEDRM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC[C@@](O)(CC#N)C1	ZINC001600123935	1168123695	/nfs/dbraw/zinc/12/36/95/1168123695.db2.gz	XQSVQUVCHCXIHV-AWEZNQCLSA-N	-1	0	324.358	0.732	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c(C#N)c1	ZINC001600474843	1168189277	/nfs/dbraw/zinc/18/92/77/1168189277.db2.gz	BVMBYNJFCXBABR-RYUDHWBXSA-N	-1	0	324.358	0.323	20	30		DCEDRM
Cc1nnc(NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)c(C#N)c1C	ZINC001600798658	1168299231	/nfs/dbraw/zinc/29/92/31/1168299231.db2.gz	RYNUXWOOJPOHKW-GXFFZTMASA-N	-1	0	324.362	0.265	20	30		DCEDRM
Cn1cc(NC(=O)C(=O)N2CC[C@](C)(C#N)C2)cc1C(=O)[O-]	ZINC001600958353	1168532234	/nfs/dbraw/zinc/53/22/34/1168532234.db2.gz	CJQNNUSCWQVAGY-CQSZACIVSA-N	-1	0	304.306	0.424	20	30		DCEDRM
Cn1cnc2ccc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)nc21	ZINC001600993959	1168552220	/nfs/dbraw/zinc/55/22/20/1168552220.db2.gz	VITPHRGBALJUCF-UHFFFAOYSA-N	-1	0	313.317	0.799	20	30		DCEDRM
N#CC1(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])CCOCC1	ZINC001601050598	1168577631	/nfs/dbraw/zinc/57/76/31/1168577631.db2.gz	VVDWUIXERJYFGY-SNVBAGLBSA-N	-1	0	309.347	0.575	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)c2c[nH]nc2Cl)CC1	ZINC001601052207	1168577640	/nfs/dbraw/zinc/57/76/40/1168577640.db2.gz	MPOGDBZQTCXEPM-UHFFFAOYSA-N	-1	0	318.742	0.442	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)/C=C\CN2CCOCC2)CC1	ZINC001601049415	1168577887	/nfs/dbraw/zinc/57/78/87/1168577887.db2.gz	QXRCPBOBVTVJPA-UPHRSURJSA-N	-1	0	307.350	0.092	20	30		DCEDRM
N#CC1(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])CCOCC1	ZINC001601055270	1168578224	/nfs/dbraw/zinc/57/82/24/1168578224.db2.gz	VUWPOXWACRNFIU-CYBMUJFWSA-N	-1	0	317.345	0.904	20	30		DCEDRM
N#CC1CCC(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1	ZINC001601058292	1168578977	/nfs/dbraw/zinc/57/89/77/1168578977.db2.gz	LCWUQEDDUMOIGA-MCIGGMRASA-N	-1	0	307.350	0.366	20	30		DCEDRM
N#CC[C@H](N1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O)C(F)(F)F	ZINC001601062980	1168580034	/nfs/dbraw/zinc/58/00/34/1168580034.db2.gz	WJUACVGVRCDQSO-FXQIFTODSA-N	-1	0	319.239	0.958	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)Cc1cncc(C(=O)[O-])c1	ZINC001601067975	1168580260	/nfs/dbraw/zinc/58/02/60/1168580260.db2.gz	YCCWKOCXAWPDRX-UHFFFAOYSA-N	-1	0	318.377	0.828	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CS(=O)(=O)C1CCCC1	ZINC001601070963	1168580924	/nfs/dbraw/zinc/58/09/24/1168580924.db2.gz	NEBYESFBUWLWAR-UHFFFAOYSA-N	-1	0	302.352	0.171	20	30		DCEDRM
N#CCOc1cc(F)ccc1NC(=O)NCCOCC(=O)[O-]	ZINC001601073711	1168580926	/nfs/dbraw/zinc/58/09/26/1168580926.db2.gz	KCCSXSZYEUVUKL-UHFFFAOYSA-N	-1	0	311.269	0.951	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)CCCC1CCOCC1	ZINC001601072188	1168581260	/nfs/dbraw/zinc/58/12/60/1168581260.db2.gz	MAYSZZSLKJJHGU-UHFFFAOYSA-N	-1	0	304.368	0.433	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001601077688	1168582644	/nfs/dbraw/zinc/58/26/44/1168582644.db2.gz	AQHWLAXITXQJOC-KGLIPLIRSA-N	-1	0	302.330	0.589	20	30		DCEDRM
N#Cc1c(F)cc(C(=O)NC2(C(=O)[O-])CC(CO)C2)cc1F	ZINC001601080815	1168582990	/nfs/dbraw/zinc/58/29/90/1168582990.db2.gz	JLWVIUIYQMXALF-UHFFFAOYSA-N	-1	0	310.256	0.792	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)co1	ZINC001601084992	1168583387	/nfs/dbraw/zinc/58/33/87/1168583387.db2.gz	QWVDUNKEVNLIPL-HNNXBMFYSA-N	-1	0	319.317	0.153	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])c(F)c1	ZINC001601093898	1168584178	/nfs/dbraw/zinc/58/41/78/1168584178.db2.gz	IEZRQFVSLGRPQW-LLVKDONJSA-N	-1	0	303.253	0.172	20	30		DCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1	ZINC001601095207	1168584574	/nfs/dbraw/zinc/58/45/74/1168584574.db2.gz	KMUHWONGIVDXMM-KBPBESRZSA-N	-1	0	317.345	0.242	20	30		DCEDRM
N#Cc1ccc([C@@H]2CN(CC(=O)NCCC(=O)[O-])CCO2)cc1	ZINC001601098301	1168584657	/nfs/dbraw/zinc/58/46/57/1168584657.db2.gz	LPCGNWPWAISHPF-AWEZNQCLSA-N	-1	0	317.345	0.522	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)c(F)c1	ZINC001601101778	1168585543	/nfs/dbraw/zinc/58/55/43/1168585543.db2.gz	JRUUQBZYDVNSOR-PHIMTYICSA-N	-1	0	312.322	0.980	20	30		DCEDRM
N#Cc1ccc(OCC(=O)OCC(=O)NCCC(=O)[O-])cc1	ZINC001601110211	1168586677	/nfs/dbraw/zinc/58/66/77/1168586677.db2.gz	NGADLHBBCJDKEG-UHFFFAOYSA-N	-1	0	306.274	0.071	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCO[C@H]3C[C@H]32)c(C(=O)[O-])c1	ZINC001601111654	1168586898	/nfs/dbraw/zinc/58/68/98/1168586898.db2.gz	DBLIVCWURQGKHT-MNOVXSKESA-N	-1	0	308.315	0.418	20	30		DCEDRM
N#Cc1cccc([C@H]2CN(CCC(=O)NCC(=O)[O-])CCO2)c1	ZINC001601120437	1168587271	/nfs/dbraw/zinc/58/72/71/1168587271.db2.gz	VEGKILGWTDXUNW-CQSZACIVSA-N	-1	0	317.345	0.522	20	30		DCEDRM
N#Cc1cccc([C@H](C(=O)[O-])N2CCO[C@H](CC(N)=O)C2)c1	ZINC001601119539	1168587398	/nfs/dbraw/zinc/58/73/98/1168587398.db2.gz	SNIIMINNGYBUFY-TZMCWYRMSA-N	-1	0	303.318	0.260	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1	ZINC001601121813	1168588215	/nfs/dbraw/zinc/58/82/15/1168588215.db2.gz	VUEVETDTGNGOTF-JSGCOSHPSA-N	-1	0	304.302	0.374	20	30		DCEDRM
N#Cc1cccc(OCCCCC(=O)N2CC(O)(C(=O)[O-])C2)c1	ZINC001601121956	1168588243	/nfs/dbraw/zinc/58/82/43/1168588243.db2.gz	ZLWOBEZBJHQYKW-UHFFFAOYSA-N	-1	0	318.329	0.765	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)c1	ZINC001601122343	1168588632	/nfs/dbraw/zinc/58/86/32/1168588632.db2.gz	LBTZNKUHDSSFEI-AWEZNQCLSA-N	-1	0	324.358	0.611	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)NC1(C(=O)[O-])CC(CO)C1	ZINC001601127103	1168589922	/nfs/dbraw/zinc/58/99/22/1168589922.db2.gz	BXIJRCHTPPSUEZ-UHFFFAOYSA-N	-1	0	310.331	0.062	20	30		DCEDRM
N#Cc1ccnc(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])c1	ZINC001601127158	1168590079	/nfs/dbraw/zinc/59/00/79/1168590079.db2.gz	DOMQWEAUDFBSFQ-LLVKDONJSA-N	-1	0	302.315	0.835	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CN1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001601129798	1168591644	/nfs/dbraw/zinc/59/16/44/1168591644.db2.gz	TYQJELRBIPKFPD-MWLCHTKSSA-N	-1	0	309.347	0.468	20	30		DCEDRM
N#Cc1cncc(CNC(=O)COCc2ocnc2C(=O)[O-])c1	ZINC001601131230	1168591963	/nfs/dbraw/zinc/59/19/63/1168591963.db2.gz	UYQYYDFQJMHOOL-UHFFFAOYSA-N	-1	0	316.273	0.472	20	30		DCEDRM
N#Cc1cscc1C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001601132217	1168592640	/nfs/dbraw/zinc/59/26/40/1168592640.db2.gz	LPLSLIHSFPRVTD-JTQLQIEISA-N	-1	0	308.315	0.852	20	30		DCEDRM
N#Cc1nnn(Cc2ccccc2)c1NC(=O)COCC(=O)[O-]	ZINC001601136111	1168594512	/nfs/dbraw/zinc/59/45/12/1168594512.db2.gz	GPEOSWMYUYOWOC-UHFFFAOYSA-N	-1	0	315.289	0.238	20	30		DCEDRM
O=C([O-])c1nccc(NC2(CNC(=O)C#CC3CC3)CC2)n1	ZINC001601223185	1168666024	/nfs/dbraw/zinc/66/60/24/1168666024.db2.gz	DXCNXMWSPLJSTD-UHFFFAOYSA-N	-1	0	300.318	0.071	20	30		DCEDRM
O=C(C#CC1CC1)NC1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001601224023	1168666275	/nfs/dbraw/zinc/66/62/75/1168666275.db2.gz	PCHWSWDBFFCCBP-QWHCGFSZSA-N	-1	0	304.346	0.228	20	30		DCEDRM
O=C(C#CC1CC1)N[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001601223794	1168666451	/nfs/dbraw/zinc/66/64/51/1168666451.db2.gz	LREXMERYVJXVHA-XUXIUFHCSA-N	-1	0	318.373	0.664	20	30		DCEDRM
O=C([O-])c1nccc(NC[C@@H]2C[C@@H](NC(=O)C#CC3CC3)C2)n1	ZINC001601224089	1168667012	/nfs/dbraw/zinc/66/70/12/1168667012.db2.gz	QEHFGUMUMDCPEK-HAQNSBGRSA-N	-1	0	314.345	0.317	20	30		DCEDRM
O=C([O-])c1cnc(N[C@H]2CCN(C(=O)C#CC3CC3)C2)nc1	ZINC001602536249	1169110801	/nfs/dbraw/zinc/11/08/01/1169110801.db2.gz	TUEPIKBUCKGPEZ-LBPRGKRZSA-N	-1	0	300.318	0.601	20	30		DCEDRM
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC3(CC2)CC(=O)C=CO3)O1	ZINC001602632268	1169136217	/nfs/dbraw/zinc/13/62/17/1169136217.db2.gz	SUFXDOTWKDZAFV-NEPJUHHUSA-N	-1	0	309.318	0.483	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)Nc1ccc(C(=O)[O-])cc1OCCOC	ZINC001602670931	1169156135	/nfs/dbraw/zinc/15/61/35/1169156135.db2.gz	LXEYCAHIHORLHR-NSHDSACASA-N	-1	0	322.317	0.526	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC001602682767	1169158128	/nfs/dbraw/zinc/15/81/28/1169158128.db2.gz	FPGJOQKREDYSBZ-QMMMGPOBSA-N	-1	0	310.331	0.539	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1ccc(OC)cc1C(=O)[O-]	ZINC001602684120	1169158236	/nfs/dbraw/zinc/15/82/36/1169158236.db2.gz	XMKIAZFDYKYPCU-VIFPVBQESA-N	-1	0	313.331	0.056	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001602683251	1169158495	/nfs/dbraw/zinc/15/84/95/1169158495.db2.gz	MVMINWIXNWTMKJ-MLGOLLRUSA-N	-1	0	324.377	0.244	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC001602687835	1169159640	/nfs/dbraw/zinc/15/96/40/1169159640.db2.gz	XMSRWGUWMHEIIB-GFCCVEGCSA-N	-1	0	314.297	0.265	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1)C(=O)[O-]	ZINC001602687912	1169160876	/nfs/dbraw/zinc/16/08/76/1169160876.db2.gz	YVYCWRHLRYBOEL-NWDGAFQWSA-N	-1	0	303.318	0.379	20	30		DCEDRM
C#CC1(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CCCC1	ZINC001602691438	1169161735	/nfs/dbraw/zinc/16/17/35/1169161735.db2.gz	XXCDGLLFNPMQNJ-SECBINFHSA-N	-1	0	300.326	0.081	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)[O-]	ZINC001602698683	1169164484	/nfs/dbraw/zinc/16/44/84/1169164484.db2.gz	QZORGNBEJWVILV-GFCCVEGCSA-N	-1	0	320.326	0.283	20	30		DCEDRM
C#CCCN(CCOC)C(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001602710494	1169165905	/nfs/dbraw/zinc/16/59/05/1169165905.db2.gz	GPJLKNPJROLWJK-UHFFFAOYSA-N	-1	0	307.350	0.860	20	30		DCEDRM
C#CCN(CC(=O)N[C@@H](CF)C(=O)[O-])C(=O)OC(C)(C)C	ZINC001602715497	1169167598	/nfs/dbraw/zinc/16/75/98/1169167598.db2.gz	JUWCUYPYWDBTKZ-VIFPVBQESA-N	-1	0	302.302	0.396	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)CCc2ocnc2C(=O)[O-])C1	ZINC001602720766	1169170112	/nfs/dbraw/zinc/17/01/12/1169170112.db2.gz	GPGFILPXTTZFIR-LLVKDONJSA-N	-1	0	305.334	0.519	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)c2csc(C(=O)[O-])n2)CC1	ZINC001602719985	1169170428	/nfs/dbraw/zinc/17/04/28/1169170428.db2.gz	GINWJKWZDHZTFT-UHFFFAOYSA-N	-1	0	321.358	0.443	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)c1ccnc(C(=O)[O-])n1	ZINC001602725439	1169172773	/nfs/dbraw/zinc/17/27/73/1169172773.db2.gz	BQZOVLJRBLWYDS-GHMZBOCLSA-N	-1	0	320.349	0.154	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001602746499	1169177933	/nfs/dbraw/zinc/17/79/33/1169177933.db2.gz	CMGQLCMOLKQAHG-WUHRBBMRSA-N	-1	0	324.377	0.405	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001602747404	1169178351	/nfs/dbraw/zinc/17/83/51/1169178351.db2.gz	QOYPBMZVVZDEAB-RISCZKNCSA-N	-1	0	320.345	0.644	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-]	ZINC001602757931	1169179591	/nfs/dbraw/zinc/17/95/91/1169179591.db2.gz	XMFNZBWINNSPKR-LLVKDONJSA-N	-1	0	300.336	0.788	20	30		DCEDRM
C=C(C)CCNC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001602761027	1169181126	/nfs/dbraw/zinc/18/11/26/1169181126.db2.gz	QQMRSZFPTKYWHH-HNNXBMFYSA-N	-1	0	311.382	0.524	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(c2nccnc2C)CC1	ZINC001602777709	1169182568	/nfs/dbraw/zinc/18/25/68/1169182568.db2.gz	BMEIINVUESYQLH-UHFFFAOYSA-N	-1	0	304.350	0.855	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C(=O)OCC)[C@@H]1CCCOC1	ZINC001602777668	1169183558	/nfs/dbraw/zinc/18/35/58/1169183558.db2.gz	APVZMZXTFKICAG-DGCLKSJQSA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=CC(C)(C)C(=O)NC/C=C/CNc1ccnc(C(=O)[O-])n1	ZINC001602805633	1169186902	/nfs/dbraw/zinc/18/69/02/1169186902.db2.gz	DNGPWHLAAHTASG-AATRIKPKSA-N	-1	0	304.350	0.893	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(C)c1ncc(C(=O)[O-])cn1	ZINC001602809455	1169186910	/nfs/dbraw/zinc/18/69/10/1169186910.db2.gz	GQMXVWCGXANKRR-MEBBXXQBSA-N	-1	0	322.365	0.443	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001602816526	1169187824	/nfs/dbraw/zinc/18/78/24/1169187824.db2.gz	NMIQYWLEXVPXFW-SECBINFHSA-N	-1	0	322.317	0.649	20	30		DCEDRM
C=C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-]	ZINC001602820289	1169188117	/nfs/dbraw/zinc/18/81/17/1169188117.db2.gz	GKZPEQMPDGMWOM-CMPLNLGQSA-N	-1	0	304.302	0.613	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1CC(C)C	ZINC001602820885	1169188853	/nfs/dbraw/zinc/18/88/53/1169188853.db2.gz	PRKWCAPTSFGJEK-WOPDTQHZSA-N	-1	0	324.381	0.832	20	30		DCEDRM
C=C[C@H](OC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)[O-]	ZINC001602827378	1169191119	/nfs/dbraw/zinc/19/11/19/1169191119.db2.gz	LREFYLBIGRBQGM-DCAQKATOSA-N	-1	0	309.318	0.734	20	30		DCEDRM
C=CCN(CCC#N)S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001602852345	1169192999	/nfs/dbraw/zinc/19/29/99/1169192999.db2.gz	PGUMMSKNVBLPRC-UHFFFAOYSA-N	-1	0	319.350	0.352	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-]	ZINC001602862815	1169194434	/nfs/dbraw/zinc/19/44/34/1169194434.db2.gz	IBLKRYOUUCVASC-ZYHUDNBSSA-N	-1	0	320.349	0.688	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)[O-]	ZINC001602862400	1169194463	/nfs/dbraw/zinc/19/44/63/1169194463.db2.gz	DMQJJWGUZDKEMU-WBMJQRKESA-N	-1	0	322.361	0.525	20	30		DCEDRM
C=CCNC(=O)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1	ZINC001602862320	1169194660	/nfs/dbraw/zinc/19/46/60/1169194660.db2.gz	BBWZTXHWGXRSFG-UHFFFAOYSA-N	-1	0	318.297	0.071	20	30		DCEDRM
C=CCCOCCCCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC001602881198	1169198638	/nfs/dbraw/zinc/19/86/38/1169198638.db2.gz	VWCHUVJGQCMDRB-GFCCVEGCSA-N	-1	0	312.366	0.551	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC(c2ccccc2)=NO1)C(=O)[O-]	ZINC001602909901	1169202807	/nfs/dbraw/zinc/20/28/07/1169202807.db2.gz	LRJINRNLXOBNSG-KBPBESRZSA-N	-1	0	318.329	0.952	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccn(CC(F)F)n1)C(=O)[O-]	ZINC001602913015	1169203267	/nfs/dbraw/zinc/20/32/67/1169203267.db2.gz	GISORFMRMTUZAE-VIFPVBQESA-N	-1	0	303.265	0.534	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)C(=O)[O-]	ZINC001602910215	1169203499	/nfs/dbraw/zinc/20/34/99/1169203499.db2.gz	QROCVJGHDOZDIB-WCQGTBRESA-N	-1	0	307.350	0.848	20	30		DCEDRM
C=CCn1c([C@H](O)/C=C\CC)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602931729	1169210614	/nfs/dbraw/zinc/21/06/14/1169210614.db2.gz	AGXAWLITZQABMP-DUVUQDDDSA-N	-1	0	322.365	0.754	20	30		DCEDRM
C=CCn1c(C2CC(O)C2)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001602931799	1169211123	/nfs/dbraw/zinc/21/11/23/1169211123.db2.gz	BXKIXQYOENDOER-NWHVRFAMSA-N	-1	0	322.365	0.382	20	30		DCEDRM
C=CCn1cc(CNS(=O)(=O)c2cc(C(=O)[O-])co2)nn1	ZINC001602938172	1169212656	/nfs/dbraw/zinc/21/26/56/1169212656.db2.gz	WULVUTOJQKVVMS-UHFFFAOYSA-N	-1	0	312.307	0.234	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1	ZINC001602983353	1169223108	/nfs/dbraw/zinc/22/31/08/1169223108.db2.gz	HVHBQSKUMOYHOO-SECBINFHSA-N	-1	0	313.321	0.423	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H](C)CNc1ccc(-c2nn[nH]n2)cn1	ZINC001602983716	1169224869	/nfs/dbraw/zinc/22/48/69/1169224869.db2.gz	MRVMIOXZBKYYDX-BDAKNGLRSA-N	-1	0	300.326	0.338	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	ZINC001603129893	1169250123	/nfs/dbraw/zinc/25/01/23/1169250123.db2.gz	OHLMSRRQPXKPJG-CUYBNKCWSA-N	-1	0	314.363	0.073	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001603295662	1169288570	/nfs/dbraw/zinc/28/85/70/1169288570.db2.gz	INNPSXJKFRAJEL-PHIMTYICSA-N	-1	0	316.361	0.705	20	30		DCEDRM
CC(C)C#CC(=O)N(C)CCN(C)c1ccnc(C(=O)[O-])n1	ZINC001603700326	1169364303	/nfs/dbraw/zinc/36/43/03/1169364303.db2.gz	RPWKKXXGBIURCW-UHFFFAOYSA-N	-1	0	304.350	0.729	20	30		DCEDRM
C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)C#CC(C)(C)C	ZINC001604142757	1169504659	/nfs/dbraw/zinc/50/46/59/1169504659.db2.gz	WYDLNWSVXPTODS-LLVKDONJSA-N	-1	0	318.377	0.953	20	30		DCEDRM
CCN(CCC#N)Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2	ZINC001604289293	1169548873	/nfs/dbraw/zinc/54/88/73/1169548873.db2.gz	JYRRXEUVXIXBDV-UHFFFAOYSA-N	-1	0	313.365	0.710	20	30		DCEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)C(=O)[O-]	ZINC001604391903	1169581066	/nfs/dbraw/zinc/58/10/66/1169581066.db2.gz	FNUNNKDJRHUEAR-RTHLEPHNSA-N	-1	0	313.306	0.833	20	30		DCEDRM
C[C@H](OC(=O)c1cccc(C(=O)[O-])n1)C(=O)N(C)CCC#N	ZINC001604417753	1169588923	/nfs/dbraw/zinc/58/89/23/1169588923.db2.gz	LNYAFRGZGTWCCE-VIFPVBQESA-N	-1	0	305.290	0.697	20	30		DCEDRM
CC[C@H](C#N)NC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC001604498239	1169605054	/nfs/dbraw/zinc/60/50/54/1169605054.db2.gz	NSFHRLRLVZHQGJ-ZCFIWIBFSA-N	-1	0	319.350	0.721	20	30		DCEDRM
C[C@@H]1CCCN1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001604739462	1169665892	/nfs/dbraw/zinc/66/58/92/1169665892.db2.gz	AODNDFZAVOICCI-SNVBAGLBSA-N	-1	0	301.368	0.406	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)COC(=O)c1cc(C#N)ccn1)C(=O)[O-]	ZINC001604935288	1169754073	/nfs/dbraw/zinc/75/40/73/1169754073.db2.gz	IQJRPUMYOMRQHX-ZANVPECISA-N	-1	0	319.317	0.726	20	30		DCEDRM
CC[C@@](COC)(NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC001605048959	1169795594	/nfs/dbraw/zinc/79/55/94/1169795594.db2.gz	JWGRECSGHCZEQV-HNNXBMFYSA-N	-1	0	305.334	0.966	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC001605418249	1169915976	/nfs/dbraw/zinc/91/59/76/1169915976.db2.gz	VEYWNYJFXNGACO-MWLCHTKSSA-N	-1	0	321.424	0.263	20	30		DCEDRM
CCc1nc(C#N)cc(NCCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1	ZINC001605844482	1170010612	/nfs/dbraw/zinc/01/06/12/1170010612.db2.gz	ISTVPQSZGKLOJZ-GHMZBOCLSA-N	-1	0	317.349	0.550	20	30		DCEDRM
Cc1ccn(CN2CCC(C)(C#N)CC2)c(=O)c1-c1nnn[n-]1	ZINC001605948996	1170031802	/nfs/dbraw/zinc/03/18/02/1170031802.db2.gz	KXSSXEQEBJDDBW-UHFFFAOYSA-N	-1	0	313.365	0.920	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)N(C)CC1CC1	ZINC001606017629	1170050829	/nfs/dbraw/zinc/05/08/29/1170050829.db2.gz	JBOQNJUOVNRXSU-UHFFFAOYSA-N	-1	0	300.326	0.112	20	30		DCEDRM
CN1C[C@H](C(=O)[O-])N(C(=O)c2c(F)cc(C#N)cc2F)CC1=O	ZINC001606200416	1170109864	/nfs/dbraw/zinc/10/98/64/1170109864.db2.gz	SQVTWLTWLSAPPV-SNVBAGLBSA-N	-1	0	323.255	0.204	20	30		DCEDRM
N#C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)C1	ZINC001606344929	1170162985	/nfs/dbraw/zinc/16/29/85/1170162985.db2.gz	CBQZRBPHPTZFLY-SECBINFHSA-N	-1	0	319.350	0.186	20	30		DCEDRM
N#C[C@H]1CN(Cc2nc(-c3nn[nH]n3)cs2)CCN1C1CC1	ZINC001606344931	1170163650	/nfs/dbraw/zinc/16/36/50/1170163650.db2.gz	CEYHHJQUEPRHHC-JTQLQIEISA-N	-1	0	316.394	0.495	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc3c(c2)CCO3)[n-]c1-c1nn[nH]n1	ZINC001606355954	1170169484	/nfs/dbraw/zinc/16/94/84/1170169484.db2.gz	ZECMJWHVFMPTDJ-UHFFFAOYSA-N	-1	0	322.288	0.649	20	30		DCEDRM
N#Cc1ncc(NCc2ccc3c(c2)OCO3)nc1-c1nnn[n-]1	ZINC001606397986	1170183781	/nfs/dbraw/zinc/18/37/81/1170183781.db2.gz	GOAUCKNCYHNEKW-UHFFFAOYSA-N	-1	0	322.288	0.869	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1	ZINC001607565606	1170477869	/nfs/dbraw/zinc/47/78/69/1170477869.db2.gz	ATPXKXODNFWDPA-UHFFFAOYSA-N	-1	0	311.301	0.923	20	30		DCEDRM
N#CC1(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCOCC1	ZINC001608171684	1170608346	/nfs/dbraw/zinc/60/83/46/1170608346.db2.gz	FXHIVFODDWMELJ-SNVBAGLBSA-N	-1	0	319.321	0.070	20	30		DCEDRM
N#CC1(CC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)CCOCC1	ZINC001608175660	1170609051	/nfs/dbraw/zinc/60/90/51/1170609051.db2.gz	FOCZTHTVTSRKKP-OAHLLOKOSA-N	-1	0	310.350	0.837	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])CC1	ZINC001608175727	1170609535	/nfs/dbraw/zinc/60/95/35/1170609535.db2.gz	MJWWJPVYLQXZMW-QWRGUYRKSA-N	-1	0	316.379	0.479	20	30		DCEDRM
N#CCC1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1	ZINC001608181586	1170610617	/nfs/dbraw/zinc/61/06/17/1170610617.db2.gz	MGYQRFVDQAKAGC-LBPRGKRZSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CCCN(CC1CC1)C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001608182925	1170611603	/nfs/dbraw/zinc/61/16/03/1170611603.db2.gz	RJMUSUWNKMIRSB-UHFFFAOYSA-N	-1	0	303.318	0.699	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC001608183453	1170611611	/nfs/dbraw/zinc/61/16/11/1170611611.db2.gz	BLHRQXWWOJPBFD-UHFFFAOYSA-N	-1	0	307.218	0.374	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)Nc2cccc(CC(=O)[O-])n2)C1	ZINC001608182354	1170611999	/nfs/dbraw/zinc/61/19/99/1170611999.db2.gz	ZOCLGYSUYLSBSB-CQSZACIVSA-N	-1	0	304.306	0.591	20	30		DCEDRM
N#CCN(CCC(=O)[O-])CC(=O)N1CC(=O)Nc2ccccc21	ZINC001608186432	1170612961	/nfs/dbraw/zinc/61/29/61/1170612961.db2.gz	MUECGHJVXSEWDP-UHFFFAOYSA-N	-1	0	316.317	0.272	20	30		DCEDRM
N#Cc1ccc(CSCC(=O)NC[C@H](O)CC(=O)[O-])cc1	ZINC001608205417	1170614544	/nfs/dbraw/zinc/61/45/44/1170614544.db2.gz	DAIZKFCLIOYIPV-GFCCVEGCSA-N	-1	0	308.359	0.743	20	30		DCEDRM
N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1	ZINC001608209091	1170615820	/nfs/dbraw/zinc/61/58/20/1170615820.db2.gz	WEZBHVQPLKGYNB-OVVPUXAQSA-N	-1	0	301.306	0.153	20	30		DCEDRM
N#Cc1cccc(N2CCN(c3ccnc(C(=O)[O-])n3)CC2)n1	ZINC001608217136	1170617371	/nfs/dbraw/zinc/61/73/71/1170617371.db2.gz	NIHRIPAKKVXASD-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1ccccc1OC[C@H](O)CN1CCOC[C@H]1CC(=O)[O-]	ZINC001608219087	1170618620	/nfs/dbraw/zinc/61/86/20/1170618620.db2.gz	JAYBYULKLQLCQC-ZIAGYGMSSA-N	-1	0	320.345	0.473	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NCc1nc([C@H]2CCOC2)n[nH]1	ZINC001608223920	1170619532	/nfs/dbraw/zinc/61/95/32/1170619532.db2.gz	HIUOFGBLSSDFMN-QMMMGPOBSA-N	-1	0	314.305	0.886	20	30		DCEDRM
O=C([O-])CC1(COC(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC001608680766	1170735248	/nfs/dbraw/zinc/73/52/48/1170735248.db2.gz	REWZYVXRSDSAAJ-BUHFOSPRSA-N	-1	0	322.317	0.701	20	30		DCEDRM
O=C([O-])C[C@H]1CN(C(=O)c2cccc(C#CCO)c2)CCO1	ZINC001608700883	1170740291	/nfs/dbraw/zinc/74/02/91/1170740291.db2.gz	ZSODVAXTHQYBRG-AWEZNQCLSA-N	-1	0	303.314	0.346	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1C	ZINC001609019353	1170784965	/nfs/dbraw/zinc/78/49/65/1170784965.db2.gz	RZVFNOXAWPLTBH-SECBINFHSA-N	-1	0	312.333	0.594	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC001609054666	1170794310	/nfs/dbraw/zinc/79/43/10/1170794310.db2.gz	OWZLNISTKRJLOO-LBPRGKRZSA-N	-1	0	318.329	0.998	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)[C@H]1CCCO1	ZINC001609058418	1170794635	/nfs/dbraw/zinc/79/46/35/1170794635.db2.gz	YZBCTGPTCFAOJA-VXGBXAGGSA-N	-1	0	310.331	0.239	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC001609055066	1170794695	/nfs/dbraw/zinc/79/46/95/1170794695.db2.gz	VEEQWGUONMMMTA-SECBINFHSA-N	-1	0	304.302	0.812	20	30		DCEDRM
C=CCOCCn1nc(CC)c(CC)c(-c2nnn[n-]2)c1=O	ZINC001609059167	1170795305	/nfs/dbraw/zinc/79/53/05/1170795305.db2.gz	VJBQBHGZISVHEQ-UHFFFAOYSA-N	-1	0	304.354	0.751	20	30		DCEDRM
C#CC[C@H]1NC(=O)N(CCc2ccc(C(=O)[O-])cc2OC)C1=O	ZINC001609105358	1170811688	/nfs/dbraw/zinc/81/16/88/1170811688.db2.gz	WOKWYHDLWMXZAY-GFCCVEGCSA-N	-1	0	316.313	0.880	20	30		DCEDRM
C#CCN1CCN(C(=O)Cn2nc(C(=O)[O-])c(Cl)c2C)CC1	ZINC001609158833	1170835188	/nfs/dbraw/zinc/83/51/88/1170835188.db2.gz	KAWCFEXIWVRLNP-UHFFFAOYSA-N	-1	0	324.768	0.321	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001609226719	1170882988	/nfs/dbraw/zinc/88/29/88/1170882988.db2.gz	VICUWKCSZVUCGQ-PWSUYJOCSA-N	-1	0	323.353	0.257	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC001609266884	1170904003	/nfs/dbraw/zinc/90/40/03/1170904003.db2.gz	FJVKEHUEBRGRBY-CYBMUJFWSA-N	-1	0	318.329	0.544	20	30		DCEDRM
COC(=O)c1cccc(Cn2cnc(-c3nnn[n-]3)c2C#N)c1	ZINC001609306176	1170923723	/nfs/dbraw/zinc/92/37/23/1170923723.db2.gz	WZDLTYSUFWGNPG-UHFFFAOYSA-N	-1	0	309.289	0.770	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C(C)(C)CC(=O)[O-]	ZINC001609398756	1170964568	/nfs/dbraw/zinc/96/45/68/1170964568.db2.gz	GJOMZKUWIBDIDU-QMMMGPOBSA-N	-1	0	300.311	0.431	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)C(=O)[O-]	ZINC001609443145	1170979148	/nfs/dbraw/zinc/97/91/48/1170979148.db2.gz	SSHWNQDDJSDYNT-GFCCVEGCSA-N	-1	0	316.317	0.857	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)C(=O)[O-]	ZINC001609443169	1170979323	/nfs/dbraw/zinc/97/93/23/1170979323.db2.gz	TXPMIQQYSWTBHD-LLVKDONJSA-N	-1	0	309.278	0.684	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)c1cncc(C(=O)[O-])c1)C1CC1	ZINC001609631325	1171055504	/nfs/dbraw/zinc/05/55/04/1171055504.db2.gz	XUYKVVLXASACFO-HNNXBMFYSA-N	-1	0	317.301	0.745	20	30		DCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001609631157	1171056015	/nfs/dbraw/zinc/05/60/15/1171056015.db2.gz	QVSWIKJFVBMHJC-ZETCQYMHSA-N	-1	0	313.291	0.731	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(C(=O)[O-])nc1	ZINC001609683944	1171066110	/nfs/dbraw/zinc/06/61/10/1171066110.db2.gz	JVGHGCAQNDJCJP-HNNXBMFYSA-N	-1	0	319.317	0.991	20	30		DCEDRM
C[C@@H](OC(=O)c1ccc(C(=O)[O-])n1C)C(=O)N(C)CCC#N	ZINC001609797066	1171088796	/nfs/dbraw/zinc/08/87/96/1171088796.db2.gz	CENXNTVZJUFSKG-SECBINFHSA-N	-1	0	307.306	0.641	20	30		DCEDRM
COC(=O)C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)[O-]	ZINC001610176787	1171186897	/nfs/dbraw/zinc/18/68/97/1171186897.db2.gz	CYKQXCPRGWIUTQ-LBPRGKRZSA-N	-1	0	316.313	0.988	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])n(CN2CCSC[C@@H]2C#N)n1	ZINC001610198187	1171195019	/nfs/dbraw/zinc/19/50/19/1171195019.db2.gz	YKSICZJCIMDHCF-QMMMGPOBSA-N	-1	0	310.335	0.266	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)s1	ZINC001610243362	1171205683	/nfs/dbraw/zinc/20/56/83/1171205683.db2.gz	JOCSGAACSYFCQA-LLVKDONJSA-N	-1	0	318.376	0.778	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCSC[C@@H](C(=O)[O-])C2)CCC1	ZINC001610619742	1171270242	/nfs/dbraw/zinc/27/02/42/1171270242.db2.gz	QPEKPWLZZDKURK-JTQLQIEISA-N	-1	0	318.420	0.760	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(C(=O)NC2CC2)cc1	ZINC001610622513	1171271578	/nfs/dbraw/zinc/27/15/78/1171271578.db2.gz	VAYZYGOMNCLIKT-UHFFFAOYSA-N	-1	0	301.302	0.629	20	30		DCEDRM
N#Cc1ccnc(N2CCN(Cn3cc(C(=O)[O-])nn3)CC2)c1	ZINC001610633735	1171273714	/nfs/dbraw/zinc/27/37/14/1171273714.db2.gz	WXJKXGVPEHYLTR-UHFFFAOYSA-N	-1	0	313.321	0.023	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)CSc1n[nH]c(=O)[n-]1	ZINC001628085912	1171518696	/nfs/dbraw/zinc/51/86/96/1171518696.db2.gz	GSTQKDNFXBDYDX-UHFFFAOYSA-N	-1	0	318.358	0.931	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc(Cl)nc2)c(=O)[n-]c1=O	ZINC001633549830	1171646594	/nfs/dbraw/zinc/64/65/94/1171646594.db2.gz	AOESUQANPRRHQO-UHFFFAOYSA-N	-1	0	319.708	0.299	20	30		DCEDRM
C=CCN(CCOC)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001635611358	1171709071	/nfs/dbraw/zinc/70/90/71/1171709071.db2.gz	BOKQYIHFAOEUAD-UHFFFAOYSA-N	-1	0	318.333	0.541	20	30		DCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1nn(-c2ccccc2)cc1[O-]	ZINC001636352875	1171734226	/nfs/dbraw/zinc/73/42/26/1171734226.db2.gz	OGMMJINTMJEJHY-SNVBAGLBSA-N	-1	0	302.290	0.298	20	30		DCEDRM
Cn1c(=O)[n-]c(N2Cc3ccc([N+](=O)[O-])cc3C2)c(C#N)c1=O	ZINC001639554984	1171842372	/nfs/dbraw/zinc/84/23/72/1171842372.db2.gz	NMZUBGJVQKXRQL-UHFFFAOYSA-N	-1	0	313.273	0.374	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCCC(=O)OC(C)(C)C)c(C#N)c1=O	ZINC001643049329	1171963793	/nfs/dbraw/zinc/96/37/93/1171963793.db2.gz	SIHIYPWUNYYZSA-UHFFFAOYSA-N	-1	0	322.365	0.869	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2CCCN2CC(F)F)c(C#N)c1=O	ZINC001646638303	1172451159	/nfs/dbraw/zinc/45/11/59/1172451159.db2.gz	DPYVFAVDXCPHFQ-QMMMGPOBSA-N	-1	0	313.308	0.087	20	30		DCEDRM
CCN(CC)S(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC001647086195	1172664778	/nfs/dbraw/zinc/66/47/78/1172664778.db2.gz	RSUPMORAORWWEL-UHFFFAOYSA-N	-1	0	311.363	0.905	20	30		DCEDRM
CO[C@@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccc1	ZINC001647623901	1173005472	/nfs/dbraw/zinc/00/54/72/1173005472.db2.gz	LXJHGLMMRVQBEA-LBPRGKRZSA-N	-1	0	300.318	0.745	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](C2CC2)[C@@H]2CCCCO2)c(C#N)c1=O	ZINC001647628031	1173006165	/nfs/dbraw/zinc/00/61/65/1173006165.db2.gz	ASHHGEAODJAKFE-NWDGAFQWSA-N	-1	0	304.350	0.705	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cnn(CCF)c1	ZINC001649805751	1173235713	/nfs/dbraw/zinc/23/57/13/1173235713.db2.gz	FTIVCOQQJLZWDY-UHFFFAOYSA-N	-1	0	322.321	0.843	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)Cc2ccccn2)CCOCC1	ZINC001649881844	1173280534	/nfs/dbraw/zinc/28/05/34/1173280534.db2.gz	WSOCXLQGKJVFLI-UHFFFAOYSA-N	-1	0	323.374	0.738	20	30		DCEDRM
N#C[C@@]12CN(CCC3(C(=O)[O-])CCC3)C[C@@H]1CS(=O)(=O)C2	ZINC001650146076	1173479880	/nfs/dbraw/zinc/47/98/80/1173479880.db2.gz	LDXJFCBYYGBDMD-RISCZKNCSA-N	-1	0	312.391	0.502	20	30		DCEDRM
CSC1(CNc2[n-]c(=O)n(C)c(=O)c2C#N)CCOCC1	ZINC001650227826	1173524545	/nfs/dbraw/zinc/52/45/45/1173524545.db2.gz	KMCBBBYPCVKXGV-UHFFFAOYSA-N	-1	0	310.379	0.269	20	30		DCEDRM
Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)CC(C)(C)C#N	ZINC001650446098	1173643913	/nfs/dbraw/zinc/64/39/13/1173643913.db2.gz	KSGLIHJFHXHCKL-UHFFFAOYSA-N	-1	0	303.322	0.752	20	30		DCEDRM
N#Cc1cccc2c1CCN2Cc1cc(=O)n2[n-]c(N)nc2n1	ZINC001653953135	1173797696	/nfs/dbraw/zinc/79/76/96/1173797696.db2.gz	KNJLDZORXOZHHO-UHFFFAOYSA-N	-1	0	307.317	0.434	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1cccc(Cl)c1[O-]	ZINC001661115182	1174097319	/nfs/dbraw/zinc/09/73/19/1174097319.db2.gz	VKBSZIWZYFMLJH-UHFFFAOYSA-N	-1	0	304.755	0.626	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001661861980	1174164673	/nfs/dbraw/zinc/16/46/73/1174164673.db2.gz	YHLYOTXSPJLSHZ-IAQYHMDHSA-N	-1	0	323.397	0.308	20	30		DCEDRM
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC(=O)[N-]OC)c1	ZINC001679283097	1175716149	/nfs/dbraw/zinc/71/61/49/1175716149.db2.gz	UUQZRLLWUAFMLM-GFCCVEGCSA-N	-1	0	320.349	0.844	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001680780060	1175854325	/nfs/dbraw/zinc/85/43/25/1175854325.db2.gz	KTLZNDCZLFOTGC-NSHDSACASA-N	-1	0	324.381	0.329	20	30		DCEDRM
C=C(C)CCC(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001688665047	1176576692	/nfs/dbraw/zinc/57/66/92/1176576692.db2.gz	AYKGTIPAZKFMKF-UHFFFAOYSA-N	-1	0	306.366	0.968	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)C#CC(C)(C)C)c1[O-]	ZINC001689445972	1176899345	/nfs/dbraw/zinc/89/93/45/1176899345.db2.gz	KXJJLCRQMDRRPV-VIFPVBQESA-N	-1	0	306.366	0.708	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)C#CC(C)(C)C)c1[O-]	ZINC001689526549	1176931546	/nfs/dbraw/zinc/93/15/46/1176931546.db2.gz	BYMIDEMQFCNVCB-LLVKDONJSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C=CCCOCC(=O)NCC1(NC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001689592780	1176970287	/nfs/dbraw/zinc/97/02/87/1176970287.db2.gz	DQEVLXYYSOVURE-UHFFFAOYSA-N	-1	0	322.365	0.395	20	30		DCEDRM
N#CCNC[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001690751154	1177317866	/nfs/dbraw/zinc/31/78/66/1177317866.db2.gz	HOSOSKGMPRPNNT-VIFPVBQESA-N	-1	0	301.306	0.504	20	30		DCEDRM
C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)c2cnc[nH]c2=O)C1	ZINC001699916003	1178375334	/nfs/dbraw/zinc/37/53/34/1178375334.db2.gz	LHATWJTWGHPCLW-LLVKDONJSA-N	-1	0	306.366	0.313	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001700492930	1178636076	/nfs/dbraw/zinc/63/60/76/1178636076.db2.gz	DTBVHQDDSXWJJV-UHFFFAOYSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001707243069	1180446757	/nfs/dbraw/zinc/44/67/57/1180446757.db2.gz	LAAHTWVPOZJUAF-UTUOFQBUSA-N	-1	0	323.397	0.571	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)C1	ZINC001714617849	1181443536	/nfs/dbraw/zinc/44/35/36/1181443536.db2.gz	HTWVKMNIQGFAII-LLVKDONJSA-N	-1	0	305.382	0.947	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)C[C@H](C)NC(=O)C#CC2CC2)c1[O-]	ZINC001718918550	1183391792	/nfs/dbraw/zinc/39/17/92/1183391792.db2.gz	JGAIMNSCWVCNPE-VHSXEESVSA-N	-1	0	318.377	0.850	20	30		DCEDRM
C#CCCCC(=O)N(CC)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001721141724	1183845064	/nfs/dbraw/zinc/84/50/64/1183845064.db2.gz	CAKNIMQCDBQPAD-UHFFFAOYSA-N	-1	0	306.366	0.806	20	30		DCEDRM
N#CCNC1(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CCCC1	ZINC001732392133	1185797386	/nfs/dbraw/zinc/79/73/86/1185797386.db2.gz	PLQAMVJHJXAPML-UHFFFAOYSA-N	-1	0	322.369	0.012	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1	ZINC001733895198	1186490020	/nfs/dbraw/zinc/49/00/20/1186490020.db2.gz	SSQBHYQRNYNQQT-NEPJUHHUSA-N	-1	0	305.382	0.639	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N(C)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC001734598970	1186698975	/nfs/dbraw/zinc/69/89/75/1186698975.db2.gz	PQUFTFYWXAJWSO-PPUFBPAQSA-N	-1	0	321.425	0.790	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1	ZINC001734998014	1186776355	/nfs/dbraw/zinc/77/63/55/1186776355.db2.gz	YEFNXOCFFQMCNK-SRVKXCTJSA-N	-1	0	321.381	0.411	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCCNC(=O)[C@@H](C)C#N)c1[O-]	ZINC001735043684	1186787386	/nfs/dbraw/zinc/78/73/86/1186787386.db2.gz	RZGYWJOATBSRSJ-DTWKUNHWSA-N	-1	0	307.354	0.598	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C	ZINC001738919881	1187698806	/nfs/dbraw/zinc/69/88/06/1187698806.db2.gz	IYUAQAZBRCTMLT-GHMZBOCLSA-N	-1	0	322.365	0.346	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C#CC(C)C)C[C@H]2C)c1[O-]	ZINC001738952650	1187709781	/nfs/dbraw/zinc/70/97/81/1187709781.db2.gz	WUTAHCINNOYINJ-PWSUYJOCSA-N	-1	0	318.377	0.802	20	30		DCEDRM
CN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@H](CNCC#N)C1CC1	ZINC001755569563	1189149950	/nfs/dbraw/zinc/14/99/50/1189149950.db2.gz	XPBFUAYAACRDEL-LLVKDONJSA-N	-1	0	315.333	0.892	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNc2nccnc2C#N)c1[O-]	ZINC001107125632	751875341	/nfs/dbraw/zinc/87/53/41/751875341.db2.gz	BUHHNMQWUMRQAZ-NSCUHMNNSA-N	-1	0	313.321	0.484	20	30		DCEDRM
CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(N[C@@H]2CO[N-]C2=O)n1	ZINC001167513148	747349195	/nfs/dbraw/zinc/34/91/95/747349195.db2.gz	IEFUOGHFAIUGOE-GXSJLCMTSA-N	-1	0	318.333	0.872	20	30		DCEDRM
N#Cc1c(N)nc(=NC2CC2)n(-c2ccc([O-])c(F)c2F)c1N	ZINC001211999980	749735231	/nfs/dbraw/zinc/73/52/31/749735231.db2.gz	GCQSCMMNSGBCGT-UHFFFAOYSA-N	-1	0	318.287	0.955	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001060289621	750473782	/nfs/dbraw/zinc/47/37/82/750473782.db2.gz	QFHDNBWGKGUSSM-MWLCHTKSSA-N	-1	0	319.365	0.552	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(C#N)cn2)c1[O-]	ZINC001112990958	762074813	/nfs/dbraw/zinc/07/48/13/762074813.db2.gz	NCMFWMKNTDKTHA-SFYZADRCSA-N	-1	0	315.337	0.704	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001071788186	762137623	/nfs/dbraw/zinc/13/76/23/762137623.db2.gz	VOFMRXPKJGVUJF-KOLCDFICSA-N	-1	0	306.366	0.967	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3ccncc3C#N)C2)c1[O-]	ZINC001058328231	759894719	/nfs/dbraw/zinc/89/47/19/759894719.db2.gz	NHLFIQNKYLMQGW-LLVKDONJSA-N	-1	0	312.333	0.699	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CNc2ccc(C#N)nn2)c1[O-]	ZINC001108311458	760370948	/nfs/dbraw/zinc/37/09/48/760370948.db2.gz	CQWSSASMLBKWIY-ZETCQYMHSA-N	-1	0	301.310	0.316	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001070620915	761356637	/nfs/dbraw/zinc/35/66/37/761356637.db2.gz	ZOIMLTCVXGNFPG-GFCCVEGCSA-N	-1	0	316.361	0.558	20	30		DCEDRM
C[C@H]1CC[C@@H](NC(=O)CSCC#N)CN1Cc1n[nH]c(=O)[n-]1	ZINC001131831123	764067249	/nfs/dbraw/zinc/06/72/49/764067249.db2.gz	YKIBUTJMLRIOEL-VHSXEESVSA-N	-1	0	324.410	0.236	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)CNc2ccc(C#N)nn2)c1[O-]	ZINC001103949596	765208547	/nfs/dbraw/zinc/20/85/47/765208547.db2.gz	RJOIHDWNYQMXDJ-QMMMGPOBSA-N	-1	0	315.337	0.563	20	30		DCEDRM
C[C@@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983932	765297699	/nfs/dbraw/zinc/29/76/99/765297699.db2.gz	JZMUKMRLODJAPI-ONGXEEELSA-N	-1	0	321.358	0.763	20	30		DCEDRM
Cc1cc(C#N)nc(NCCC[C@@H](C)NC(=O)c2cn[nH]n2)n1	ZINC001115114595	765594786	/nfs/dbraw/zinc/59/47/86/765594786.db2.gz	KSLNSCCWOHZZTJ-SECBINFHSA-N	-1	0	314.353	0.785	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)C2CCOCC2)cc1	ZINC001116161087	765846293	/nfs/dbraw/zinc/84/62/93/765846293.db2.gz	IKSIHUBCAXLVTL-UHFFFAOYSA-N	-1	0	323.370	0.937	20	30		DCEDRM
COc1nc(Cl)c(/C=C/C(=O)c2cnc([O-])n(C)c2=O)n1C	ZINC001116276578	765855329	/nfs/dbraw/zinc/85/53/29/765855329.db2.gz	UOFZTTOLPISASV-SNAWJCMRSA-N	-1	0	324.724	0.778	20	30		DCEDRM
C[C@H](C[C@H](C)NCC#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001135648571	766018611	/nfs/dbraw/zinc/01/86/11/766018611.db2.gz	MMTKXRPNIGYBMZ-VHSXEESVSA-N	-1	0	302.338	0.033	20	30		DCEDRM
CCC/C(C)=C\C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001120745032	767180087	/nfs/dbraw/zinc/18/00/87/767180087.db2.gz	RMNGJFCGXAHFQL-YHYXMXQVSA-N	-1	0	302.334	0.950	20	30		DCEDRM
C=CCN(CC=C)c1nnc(-c2cc(=O)[nH][n-]2)n1CCOC	ZINC001122254594	767752025	/nfs/dbraw/zinc/75/20/25/767752025.db2.gz	ADHYKMKKZMBNPX-UHFFFAOYSA-N	-1	0	304.354	0.327	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C[C@H](C)O)C1CC1	ZINC001122602275	767840672	/nfs/dbraw/zinc/84/06/72/767840672.db2.gz	PAAPBIRDRVBDMN-JTQLQIEISA-N	-1	0	318.381	0.428	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(=O)cc(C)o1	ZINC001230898748	768902757	/nfs/dbraw/zinc/90/27/57/768902757.db2.gz	TWRGQSSRPSGJFF-NSHDSACASA-N	-1	0	304.320	0.786	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC(NCS(=O)(=O)[O-])CC2)cc1	ZINC001173426043	769627366	/nfs/dbraw/zinc/62/73/66/769627366.db2.gz	NMKBQVCHWRRSMX-UHFFFAOYSA-N	-1	0	323.374	0.598	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001235242913	769786351	/nfs/dbraw/zinc/78/63/51/769786351.db2.gz	BLNGXLOAYODSHB-LLVKDONJSA-N	-1	0	311.386	0.430	20	30		DCEDRM
COc1ccc2ncc([O-])c(C(=O)n3nc(N)c(C#N)c3N)c2c1	ZINC001154507621	770202278	/nfs/dbraw/zinc/20/22/78/770202278.db2.gz	ZHBDRAZZXXTFTN-UHFFFAOYSA-N	-1	0	324.300	0.870	20	30		DCEDRM
N=C(NC(=O)C#Cc1cccnc1)SCCS(=O)(=O)[O-]	ZINC001177781428	770550844	/nfs/dbraw/zinc/55/08/44/770550844.db2.gz	SSTLTUQTBVBBPV-UHFFFAOYSA-N	-1	0	313.360	0.105	20	30		DCEDRM
Cc1ccc(CC#N)c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1	ZINC001157073249	771527979	/nfs/dbraw/zinc/52/79/79/771527979.db2.gz	XIIGIWGOMQPWBC-WPRPVWTQSA-N	-1	0	310.335	0.270	20	30		DCEDRM
CS(=O)(=O)N1CCN(C(=O)CCC(=O)C2=CC=C[CH]2)CC1	ZINC001184243902	771762750	/nfs/dbraw/zinc/76/27/50/771762750.db2.gz	FSYGCCJUWAUIDO-UHFFFAOYSA-N	-1	0	311.383	0.140	20	30		DCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NC1CC2(C1)CS(=O)(=O)C2	ZINC001184243957	771762788	/nfs/dbraw/zinc/76/27/88/771762788.db2.gz	LEBJTMMZOBPPMS-UHFFFAOYSA-N	-1	0	308.379	0.730	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1ccc([N+](=O)[O-])c(N)n1	ZINC001158971695	771840987	/nfs/dbraw/zinc/84/09/87/771840987.db2.gz	OAYCHCHRECJLIU-UHFFFAOYSA-N	-1	0	303.238	0.998	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1ccncn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001159646234	771938987	/nfs/dbraw/zinc/93/89/87/771938987.db2.gz	XWZYMFAAMSGZLY-NOZJJQNGSA-N	-1	0	308.363	0.442	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)c1nccs1	ZINC001187912621	772242327	/nfs/dbraw/zinc/24/23/27/772242327.db2.gz	LMFLLQZGPDJMJA-UHFFFAOYSA-N	-1	0	313.320	0.627	20	30		DCEDRM
Cn1ncc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1C(N)=O	ZINC001190616449	772646225	/nfs/dbraw/zinc/64/62/25/772646225.db2.gz	QFUSQNUBHKGGRK-UHFFFAOYSA-N	-1	0	323.309	0.331	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)c1	ZINC001190663427	772651701	/nfs/dbraw/zinc/65/17/01/772651701.db2.gz	VGQXFLSCTAZLEH-SECBINFHSA-N	-1	0	315.307	0.285	20	30		DCEDRM
COC(=O)c1cc([N-]S(=O)(=O)c2ncc[nH]2)ccc1C#N	ZINC001190728915	772670002	/nfs/dbraw/zinc/67/00/02/772670002.db2.gz	BODCRLWTBCBHKL-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
C=C(C)CNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-]	ZINC001191036726	772712736	/nfs/dbraw/zinc/71/27/36/772712736.db2.gz	VVBIBFPTEMICRX-UHFFFAOYSA-N	-1	0	304.755	0.999	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1cnc2c(C3CCOCC3)cnn2c1	ZINC001192943098	772976537	/nfs/dbraw/zinc/97/65/37/772976537.db2.gz	JYRMLSJBMIBTOI-UHFFFAOYSA-N	-1	0	321.362	0.889	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1c(Cl)nc(Cl)cc1C(N)=O	ZINC001192943223	772976740	/nfs/dbraw/zinc/97/67/40/772976740.db2.gz	KWWJOEAENHOXHB-UHFFFAOYSA-N	-1	0	309.134	0.753	20	30		DCEDRM
COc1nc(Br)cnc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193105148	773005781	/nfs/dbraw/zinc/00/57/81/773005781.db2.gz	REODJHAUNNBCAY-YFKPBYRVSA-N	-1	0	321.156	0.901	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1nc(Cl)nc2c1ncn2C	ZINC001193112410	773007542	/nfs/dbraw/zinc/00/75/42/773007542.db2.gz	SUPFKUQRJLOMQC-YFKPBYRVSA-N	-1	0	300.731	0.670	20	30		DCEDRM
CN=c1c(N)cc(Cl)nn1C(=O)c1ccc([O-])c(C#N)c1	ZINC001193498205	773071273	/nfs/dbraw/zinc/07/12/73/773071273.db2.gz	JHFRDQYTWHJVIV-UHFFFAOYSA-N	-1	0	303.709	0.915	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1NC(=O)c1nccc(OC)c1[O-]	ZINC001193537592	773073455	/nfs/dbraw/zinc/07/34/55/773073455.db2.gz	BRRNZLYOWORQNB-UHFFFAOYSA-N	-1	0	317.261	0.731	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)c1cnc(C)n1C	ZINC001198419236	773920379	/nfs/dbraw/zinc/92/03/79/773920379.db2.gz	LJWNWLICDWSBBY-UHFFFAOYSA-N	-1	0	324.322	0.212	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2c(C#N)ncn2C)c1	ZINC001201843154	774565241	/nfs/dbraw/zinc/56/52/41/774565241.db2.gz	DFVCXVIKZMWPKY-UHFFFAOYSA-N	-1	0	321.318	0.274	20	30		DCEDRM
CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001110925006	775349004	/nfs/dbraw/zinc/34/90/04/775349004.db2.gz	CNHMYUWDHDNHOJ-UPJWGTAASA-N	-1	0	317.393	0.925	20	30		DCEDRM
O=C(C#CC1CC1)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001223130945	775467340	/nfs/dbraw/zinc/46/73/40/775467340.db2.gz	WKNFZPICZUEYDA-UHFFFAOYSA-N	-1	0	303.366	0.252	20	30		DCEDRM
N#Cc1cc(Br)cnc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001226283004	775792755	/nfs/dbraw/zinc/79/27/55/775792755.db2.gz	MYCOVHKQLCCQKO-ZETCQYMHSA-N	-1	0	315.079	0.457	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(Cl)nn1	ZINC001226455409	775819512	/nfs/dbraw/zinc/81/95/12/775819512.db2.gz	COYVSJATODMMOY-MRVPVSSYSA-N	-1	0	308.743	0.968	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nc(OC)ncc1F	ZINC001228465320	776086168	/nfs/dbraw/zinc/08/61/68/776086168.db2.gz	PNUSAZJBMBGJEG-MRVPVSSYSA-N	-1	0	322.314	0.462	20	30		DCEDRM
CO[C@@H]1O[C@H](COc2[n-]c(=O)ccc2C#N)[C@H]2OC(C)(C)O[C@@H]12	ZINC001228898008	776135975	/nfs/dbraw/zinc/13/59/75/776135975.db2.gz	AQKOONLJEPDUBZ-XIDUGBJDSA-N	-1	0	322.317	0.929	20	30		DCEDRM
Cc1cc(CNS(=O)(=O)N(C)[C@@H](C)CC#N)oc1C(=O)[O-]	ZINC001600210557	1168138455	/nfs/dbraw/zinc/13/84/55/1168138455.db2.gz	RFSAMFWEJHDHKD-VIFPVBQESA-N	-1	0	315.351	0.855	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CCO[C@H](C#N)C2)cc1C(=O)[O-]	ZINC001600745615	1168273797	/nfs/dbraw/zinc/27/37/97/1168273797.db2.gz	SHCUCDYWSUGILS-SECBINFHSA-N	-1	0	311.319	0.001	20	30		DCEDRM
C=C(C)CN(CC)C(=O)CN1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001602761867	1169181767	/nfs/dbraw/zinc/18/17/67/1169181767.db2.gz	HTMDOTMEIGIKOJ-LBPRGKRZSA-N	-1	0	311.382	0.076	20	30		DCEDRM
C=CCOCc1nnc(N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)n1CC	ZINC001602920528	1169207807	/nfs/dbraw/zinc/20/78/07/1169207807.db2.gz	IHYGPVWRTHTXSD-GHMZBOCLSA-N	-1	0	310.354	0.679	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001603576113	1169329670	/nfs/dbraw/zinc/32/96/70/1169329670.db2.gz	ZMBQHRMMZQVXEC-NXEZZACHSA-N	-1	0	304.368	0.023	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001603576114	1169329122	/nfs/dbraw/zinc/32/91/22/1169329122.db2.gz	ZMBQHRMMZQVXEC-UWVGGRQHSA-N	-1	0	304.368	0.023	20	30		DCEDRM
COCC#CCN1CC[C@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001278381713	945264675	/nfs/dbraw/zinc/26/46/75/945264675.db2.gz	OBIYDNOWBJYJJR-HNNXBMFYSA-N	-1	0	306.366	0.268	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001270674402	940963195	/nfs/dbraw/zinc/96/31/95/940963195.db2.gz	PNFUWJPULRSQHN-VXGBXAGGSA-N	-1	0	323.397	0.430	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001611118677	970896974	/nfs/dbraw/zinc/89/69/74/970896974.db2.gz	PXKVGQKVGXIGHA-LBPRGKRZSA-N	-1	0	322.342	0.191	20	30		DCEDRM
C=CCN1CC[C@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)C1=O	ZINC001272353633	942711039	/nfs/dbraw/zinc/71/10/39/942711039.db2.gz	CXFBKAPIDMDTKK-OAHLLOKOSA-N	-1	0	304.350	0.376	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NCCCCCC(=O)[O-])nc1	ZINC001601107069	970935084	/nfs/dbraw/zinc/93/50/84/970935084.db2.gz	QWGSPWZRJXSGOK-UHFFFAOYSA-N	-1	0	304.306	0.653	20	30		DCEDRM
CN(CCCN(C)C(=O)c1c[nH]c(C#N)c1)Cc1n[nH]c(=O)[n-]1	ZINC001484739265	943542019	/nfs/dbraw/zinc/54/20/19/943542019.db2.gz	DXDHPBWZPIMTRZ-UHFFFAOYSA-N	-1	0	317.353	0.304	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCCC(F)(F)F)c(=O)[n-]c1=O	ZINC001140577064	944144006	/nfs/dbraw/zinc/14/40/06/944144006.db2.gz	GPSLPAWRKLHTDB-UHFFFAOYSA-N	-1	0	318.255	0.669	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCc3nc(C(N)=O)ccc3C2)c([O-])c1	ZINC001276864926	944333827	/nfs/dbraw/zinc/33/38/27/944333827.db2.gz	NIXIJRULIBQYKT-UHFFFAOYSA-N	-1	0	322.324	0.956	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001319319511	945557385	/nfs/dbraw/zinc/55/73/85/945557385.db2.gz	RPBZSMJSLCPWJU-NHYWBVRUSA-N	-1	0	323.397	0.430	20	30		DCEDRM
CC[C@@H](C#N)NC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC001320394071	945857656	/nfs/dbraw/zinc/85/76/56/945857656.db2.gz	NFSIZSMUUMCIRF-JTQLQIEISA-N	-1	0	312.333	0.909	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC001252653902	945975848	/nfs/dbraw/zinc/97/58/48/945975848.db2.gz	OTRHFATUPHIVKO-CYBMUJFWSA-N	-1	0	302.334	0.392	20	30		DCEDRM
C#CCOCCOCCOCc1cn(CCCC(=O)[O-])nn1	ZINC001254085902	946312022	/nfs/dbraw/zinc/31/20/22/946312022.db2.gz	FEYRSKGVDJFFDD-UHFFFAOYSA-N	-1	0	311.338	0.326	20	30		DCEDRM
C[C@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)c1ccc(C#N)cc1	ZINC001321491395	946349427	/nfs/dbraw/zinc/34/94/27/946349427.db2.gz	BHXRTEQVJSWMPM-AAEUAGOBSA-N	-1	0	317.345	0.820	20	30		DCEDRM
C=CC[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC001321657785	946416443	/nfs/dbraw/zinc/41/64/43/946416443.db2.gz	KETRUUHKGRDVAE-NSHDSACASA-N	-1	0	312.347	0.022	20	30		DCEDRM
C=CC[C@@H](NC(=O)CN1c2ccccc2OCCC1=O)C(=O)[O-]	ZINC001321657984	946417547	/nfs/dbraw/zinc/41/75/47/946417547.db2.gz	LIORRBCATCPILU-LLVKDONJSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001602675006	971244594	/nfs/dbraw/zinc/24/45/94/971244594.db2.gz	IUVGVWMIBGPMLJ-JTQLQIEISA-N	-1	0	322.292	0.617	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccccc1SC	ZINC001602679821	971261473	/nfs/dbraw/zinc/26/14/73/971261473.db2.gz	WEGOOLITAMUMFZ-UHFFFAOYSA-N	-1	0	306.343	0.893	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC001602683578	971274457	/nfs/dbraw/zinc/27/44/57/971274457.db2.gz	GDCKRNXDFIMFJK-NWDGAFQWSA-N	-1	0	309.366	0.363	20	30		DCEDRM
COC(=O)c1nccnc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC001258196315	946808981	/nfs/dbraw/zinc/80/89/81/946808981.db2.gz	HHXCYLCDCHHFMC-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1cnc(C(N)=O)cn1	ZINC001258201465	946809029	/nfs/dbraw/zinc/80/90/29/946809029.db2.gz	CQVARLQXTLVNEV-UHFFFAOYSA-N	-1	0	303.303	0.248	20	30		DCEDRM
CNC(=O)c1nccnc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC001258214943	946811970	/nfs/dbraw/zinc/81/19/70/946811970.db2.gz	VKFORPDMWXFTBN-UHFFFAOYSA-N	-1	0	317.330	0.509	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2	ZINC001602688370	971290746	/nfs/dbraw/zinc/29/07/46/971290746.db2.gz	LKUWIRBQEDYXGL-UHFFFAOYSA-N	-1	0	315.329	0.866	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(-n2cnnn2)c(C)c1	ZINC001602688388	971291093	/nfs/dbraw/zinc/29/10/93/971291093.db2.gz	LWXNZRTZTIEADY-UHFFFAOYSA-N	-1	0	314.305	0.522	20	30		DCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)c1cn(C)cn1	ZINC001258994332	946879540	/nfs/dbraw/zinc/87/95/40/946879540.db2.gz	UYTHHYYQJAGDQV-UHFFFAOYSA-N	-1	0	319.350	0.547	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccccc1OCC(=O)N(C)C	ZINC001602692245	971300830	/nfs/dbraw/zinc/30/08/30/971300830.db2.gz	HRILFEZCLLUXHK-UHFFFAOYSA-N	-1	0	318.329	0.314	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)[N-]c2nccn3cnnc23)ccc1F	ZINC001259412385	946956178	/nfs/dbraw/zinc/95/61/78/946956178.db2.gz	FLUXXVVMYFYPBP-UHFFFAOYSA-N	-1	0	318.293	0.936	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)c1cccnc1	ZINC001259611117	946969863	/nfs/dbraw/zinc/96/98/63/946969863.db2.gz	OEUDHYPRNPLPBP-UHFFFAOYSA-N	-1	0	307.291	0.565	20	30		DCEDRM
C#CCN(CC(=O)[O-])C[C@@H](O)CCNC(=O)OC(C)(C)C	ZINC001602695508	971309295	/nfs/dbraw/zinc/30/92/95/971309295.db2.gz	HTGACVJLBGXBHI-NSHDSACASA-N	-1	0	300.355	0.282	20	30		DCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cn1	ZINC001259844220	947001088	/nfs/dbraw/zinc/00/10/88/947001088.db2.gz	FNQPKILWJSNHKS-UHFFFAOYSA-N	-1	0	304.287	0.878	20	30		DCEDRM
CC(C)CS(=O)(=O)[N-]c1c(C#N)cnn1-c1ncccn1	ZINC001259878028	947007310	/nfs/dbraw/zinc/00/73/10/947007310.db2.gz	BHPAODHQVHXMNC-UHFFFAOYSA-N	-1	0	306.351	0.932	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCO[C@@H]2C)n1CC=C	ZINC001602701002	971325191	/nfs/dbraw/zinc/32/51/91/971325191.db2.gz	RDUZKYMLQMXWLY-VXGBXAGGSA-N	-1	0	304.350	0.881	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1	ZINC001602699022	971314969	/nfs/dbraw/zinc/31/49/69/971314969.db2.gz	BONUIAGZDBYCFU-NWDGAFQWSA-N	-1	0	301.364	0.294	20	30		DCEDRM
COCCS(=O)(=O)[N-]c1c(C#N)csc1C(=O)OC	ZINC001259966193	947041299	/nfs/dbraw/zinc/04/12/99/947041299.db2.gz	PJXSIFFQNAHIEH-UHFFFAOYSA-N	-1	0	304.349	0.794	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)NCC(=O)CCC(=O)[O-])cc1	ZINC001260047896	947055378	/nfs/dbraw/zinc/05/53/78/947055378.db2.gz	AGWIDRNAPOWEAQ-UHFFFAOYSA-N	-1	0	310.331	0.412	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCO[C@@H]2C)n1CC=C	ZINC001602700999	971324975	/nfs/dbraw/zinc/32/49/75/971324975.db2.gz	RDUZKYMLQMXWLY-NEPJUHHUSA-N	-1	0	304.350	0.881	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1cc(Cl)cnc1C#N	ZINC001260585322	947117641	/nfs/dbraw/zinc/11/76/41/947117641.db2.gz	ZKVNKFTVMZJWOD-UHFFFAOYSA-N	-1	0	309.756	0.350	20	30		DCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1cnc(NC(C)=O)s1	ZINC001260701230	947139772	/nfs/dbraw/zinc/13/97/72/947139772.db2.gz	YOLBJWLWXOPKSM-UHFFFAOYSA-N	-1	0	323.359	0.674	20	30		DCEDRM
C[C@H]1CN(O)C(=O)[C@H]1NS(=O)(=O)Cc1cccc(Cl)c1	ZINC001260837839	947152359	/nfs/dbraw/zinc/15/23/59/947152359.db2.gz	ZGWBWQNKELCKMU-KWQFWETISA-N	-1	0	318.782	0.996	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)[N-]c2cnc(C#N)cn2)c1	ZINC001260838066	947152436	/nfs/dbraw/zinc/15/24/36/947152436.db2.gz	IPSUPCLDZMLSSV-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	ZINC001602704824	971338466	/nfs/dbraw/zinc/33/84/66/971338466.db2.gz	VNNAACCYGHKJQB-QCQGSNGOSA-N	-1	0	306.362	0.921	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)N(CCC(=O)OC)CC(=O)[O-])OCC	ZINC001602707504	971344577	/nfs/dbraw/zinc/34/45/77/971344577.db2.gz	XZFYZQAQSBKWCW-LLVKDONJSA-N	-1	0	301.339	0.834	20	30		DCEDRM
C=CCN(Cc1c(C(=O)[O-])cnn1C)[C@@H]1CCS(=O)(=O)C1	ZINC001602722643	971386987	/nfs/dbraw/zinc/38/69/87/971386987.db2.gz	DEYWTAJEVYQCSD-SNVBAGLBSA-N	-1	0	313.379	0.293	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1	ZINC001602723025	971391854	/nfs/dbraw/zinc/39/18/54/971391854.db2.gz	ITQUEBXQYGGJLJ-LBPRGKRZSA-N	-1	0	317.301	0.770	20	30		DCEDRM
CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCCOC	ZINC001262621874	947741568	/nfs/dbraw/zinc/74/15/68/947741568.db2.gz	BFNIPCRDXSPFDW-NSHDSACASA-N	-1	0	300.355	0.987	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccnn1[C@@H]1CCCOC1	ZINC001262719989	947757932	/nfs/dbraw/zinc/75/79/32/947757932.db2.gz	OBHDIVMEHHRAIR-LLVKDONJSA-N	-1	0	308.338	0.797	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1nnn(Cc2ccncc2)c1C	ZINC001263294339	947828366	/nfs/dbraw/zinc/82/83/66/947828366.db2.gz	SWSWXCCVMNUYPL-CYBMUJFWSA-N	-1	0	324.344	0.655	20	30		DCEDRM
N#CCNCCCCCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001179768920	947901621	/nfs/dbraw/zinc/90/16/21/947901621.db2.gz	AMNCPKFKXCDXIT-UHFFFAOYSA-N	-1	0	316.365	0.426	20	30		DCEDRM
O=C([O-])C1(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC=CC1	ZINC001327944223	948671443	/nfs/dbraw/zinc/67/14/43/948671443.db2.gz	DUDFBPZNBKOPJU-VAWYXSNFSA-N	-1	0	319.317	0.050	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H]([C@]2(C)COC(=O)N2)C1	ZINC001602778137	971510753	/nfs/dbraw/zinc/51/07/53/971510753.db2.gz	BWAIYTHJUOJTJT-KMUNFCNLSA-N	-1	0	323.349	0.728	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC001602786308	971533070	/nfs/dbraw/zinc/53/30/70/971533070.db2.gz	KHKUSMMTIGXUDV-WDEREUQCSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C[C@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC[S@@]1=O	ZINC001364384123	949161609	/nfs/dbraw/zinc/16/16/09/949161609.db2.gz	WPBGKLXQIJOVMT-MGUXCZDKSA-N	-1	0	319.390	0.649	20	30		DCEDRM
CC(C)c1oncc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001574451536	949238167	/nfs/dbraw/zinc/23/81/67/949238167.db2.gz	RNIZVWVEYBABAM-UHFFFAOYSA-N	-1	0	313.281	0.825	20	30		DCEDRM
CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364480587	949391689	/nfs/dbraw/zinc/39/16/89/949391689.db2.gz	VRMBFAIUDKIURJ-CHWSQXEVSA-N	-1	0	317.349	0.542	20	30		DCEDRM
C=CC[C@@H](NC(=O)NC[C@H]1CC2(CO1)CCOCC2)C(=O)[O-]	ZINC001329242718	949460222	/nfs/dbraw/zinc/46/02/22/949460222.db2.gz	KFKKBMBEAWIDHL-VXGBXAGGSA-N	-1	0	312.366	0.901	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001280412677	950847921	/nfs/dbraw/zinc/84/79/21/950847921.db2.gz	RUWULFYTPKYEHA-RYUDHWBXSA-N	-1	0	323.397	0.430	20	30		DCEDRM
CCOC(=O)[C@]1(C)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC001590179355	950867704	/nfs/dbraw/zinc/86/77/04/950867704.db2.gz	YQCMORBIGKJAPZ-KBPBESRZSA-N	-1	0	312.322	0.172	20	30		DCEDRM
C=CCCC(=O)NC[C@H](C)N(C)C(=O)c1cnc([O-])n(C)c1=O	ZINC001280438904	950870773	/nfs/dbraw/zinc/87/07/73/950870773.db2.gz	BYDKDYGWVOLJOX-JTQLQIEISA-N	-1	0	322.365	0.029	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)N[C@@H]3C=CCCC3)C2)c(=O)[n-]c1=O	ZINC001331519337	951155464	/nfs/dbraw/zinc/15/54/64/951155464.db2.gz	HGKXBZMIEJLPTP-LLVKDONJSA-N	-1	0	315.333	0.496	20	30		DCEDRM
CC(C)[C@@H]1C[C@H]1CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365588557	951300202	/nfs/dbraw/zinc/30/02/02/951300202.db2.gz	YBXFLHHDRHONRH-JQWIXIFHSA-N	-1	0	319.365	0.412	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001332628899	951731635	/nfs/dbraw/zinc/73/16/35/951731635.db2.gz	CJHSCUBTAXYCHJ-JKSUJKDBSA-N	-1	0	310.394	0.977	20	30		DCEDRM
C#CCCN1CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1	ZINC001333367283	952027848	/nfs/dbraw/zinc/02/78/48/952027848.db2.gz	WTEDDOLMOYOORL-UONOGXRCSA-N	-1	0	308.378	0.566	20	30		DCEDRM
CN(C)C(=O)CN1CCC12CN(Cc1cc(C#N)ccc1[O-])C2	ZINC001275547920	952249545	/nfs/dbraw/zinc/24/95/45/952249545.db2.gz	PEBNONCHBKFMTQ-UHFFFAOYSA-N	-1	0	314.389	0.612	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1ccc(C(N)=O)cc1	ZINC001411600715	952311073	/nfs/dbraw/zinc/31/10/73/952311073.db2.gz	BMPBAXOWEFAENZ-UHFFFAOYSA-N	-1	0	310.313	0.996	20	30		DCEDRM
C=CCOCC(=O)N[C@H](C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001334971154	952426720	/nfs/dbraw/zinc/42/67/20/952426720.db2.gz	OXBKUHPNZJUJDY-SECBINFHSA-N	-1	0	322.365	0.203	20	30		DCEDRM
COc1ccc(C)nc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001411852311	952483588	/nfs/dbraw/zinc/48/35/88/952483588.db2.gz	PALIZFPKOMTIFS-UHFFFAOYSA-N	-1	0	315.289	0.171	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1	ZINC001411854447	952485905	/nfs/dbraw/zinc/48/59/05/952485905.db2.gz	YGPAQZGMQBMJCO-GGZOMVNGSA-N	-1	0	314.345	0.706	20	30		DCEDRM
N#Cc1cscc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001412053394	952619776	/nfs/dbraw/zinc/61/97/76/952619776.db2.gz	ATARDWLJBBRTEV-UHFFFAOYSA-N	-1	0	304.335	0.257	20	30		DCEDRM
N#CC1(NC(=O)[C@@]23C[C@@H]2CCN3C(=O)c2cc(=O)[nH][n-]2)CCC1	ZINC001276022894	952629077	/nfs/dbraw/zinc/62/90/77/952629077.db2.gz	NHXWQJJLBUMDDB-BJOHPYRUSA-N	-1	0	315.333	0.282	20	30		DCEDRM
CN(CCCOc1ccccc1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336458628	952701619	/nfs/dbraw/zinc/70/16/19/952701619.db2.gz	SRYFBQSUSAQOIE-UHFFFAOYSA-N	-1	0	314.345	0.851	20	30		DCEDRM
Cn1nc2c(c1C(=O)Nc1nc(C#N)c(C#N)[n-]1)CSCC2	ZINC001412289763	952733831	/nfs/dbraw/zinc/73/38/31/952733831.db2.gz	GNOUKFRRROUDKT-UHFFFAOYSA-N	-1	0	313.346	0.928	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cccc(F)c2)c(=O)[n-]c1=O	ZINC001412374306	952767354	/nfs/dbraw/zinc/76/73/54/952767354.db2.gz	QLCWHPMATHZGMJ-UHFFFAOYSA-N	-1	0	302.265	0.390	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412370611	952767664	/nfs/dbraw/zinc/76/76/64/952767664.db2.gz	DPFCAFKKUAWBBN-UHFFFAOYSA-N	-1	0	323.312	0.431	20	30		DCEDRM
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412375449	952769095	/nfs/dbraw/zinc/76/90/95/952769095.db2.gz	TXQDKHIPPAXSEL-UZWSLXQKSA-N	-1	0	316.361	0.619	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc([C@@H]2CCC(=O)N2)cc1	ZINC001338060155	952956678	/nfs/dbraw/zinc/95/66/78/952956678.db2.gz	VOTOLUPXGVDGPN-ZDUSSCGKSA-N	-1	0	320.370	0.721	20	30		DCEDRM
CC[C@H](C[C@H](C)CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412699352	953003956	/nfs/dbraw/zinc/00/39/56/953003956.db2.gz	VNKXXUAVFJLVQV-CMPLNLGQSA-N	-1	0	322.365	0.124	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@]2(CC2(F)F)C1	ZINC001338945911	953063891	/nfs/dbraw/zinc/06/38/91/953063891.db2.gz	FJNUDSJSYXRNNM-ZDUSSCGKSA-N	-1	0	322.319	0.924	20	30		DCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N1CCSC[C@@H]1C	ZINC001340359606	953164072	/nfs/dbraw/zinc/16/40/72/953164072.db2.gz	VHHQWXBNRAXSOP-JTQLQIEISA-N	-1	0	320.426	0.704	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1nc(-c2ncccn2)no1	ZINC001341684252	953244612	/nfs/dbraw/zinc/24/46/12/953244612.db2.gz	OJAWCMHWAAOCDR-UHFFFAOYSA-N	-1	0	323.334	0.091	20	30		DCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(C(N)=O)nc1	ZINC001343293435	953334973	/nfs/dbraw/zinc/33/49/73/953334973.db2.gz	XUXDSFLUXABCSJ-NSHDSACASA-N	-1	0	300.318	0.562	20	30		DCEDRM
CO[C@H]1CCn2cc(C([O-])=C(C#N)C(=O)NC(C)C)nc2C1	ZINC001343411224	953344474	/nfs/dbraw/zinc/34/44/74/953344474.db2.gz	LZEQPESEQFMQKS-QWRGUYRKSA-N	-1	0	304.350	0.691	20	30		DCEDRM
C=CC[C@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)[O-]	ZINC001344554224	953495420	/nfs/dbraw/zinc/49/54/20/953495420.db2.gz	FVQDWVLWZDTZNT-NSHDSACASA-N	-1	0	318.329	0.948	20	30		DCEDRM
C#CCN(C)c1nnc(-c2cc(=O)n(C)[n-]2)n1C[C@@H]1CCCO1	ZINC001344659313	953511286	/nfs/dbraw/zinc/51/12/86/953511286.db2.gz	NYEOLRSLEPKMOI-NSHDSACASA-N	-1	0	316.365	0.633	20	30		DCEDRM
CCc1ccc([C@H](C#N)NC(=O)c2cn(CC(=O)[O-])nn2)cc1	ZINC001593635296	953605847	/nfs/dbraw/zinc/60/58/47/953605847.db2.gz	KEDMVMJUKSXEPA-LBPRGKRZSA-N	-1	0	313.317	0.920	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC001602964593	971954835	/nfs/dbraw/zinc/95/48/35/971954835.db2.gz	GTIOJQNHGHOZPB-AWEZNQCLSA-N	-1	0	316.361	0.959	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC001347045937	954011022	/nfs/dbraw/zinc/01/10/22/954011022.db2.gz	JSXFQECTHHQZIM-LLVKDONJSA-N	-1	0	305.400	0.159	20	30		DCEDRM
CN(CC(=O)[O-])Cc1cn(Cc2cc(F)ccc2C#N)nn1	ZINC001593722942	954262394	/nfs/dbraw/zinc/26/23/94/954262394.db2.gz	WIRVUVMXGZCOKN-UHFFFAOYSA-N	-1	0	303.297	0.854	20	30		DCEDRM
CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001593756756	954458798	/nfs/dbraw/zinc/45/87/98/954458798.db2.gz	FGMLOEOPGIYWNY-SNVBAGLBSA-N	-1	0	321.358	0.511	20	30		DCEDRM
C=CCC1(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)CCCC1	ZINC001283841401	954651143	/nfs/dbraw/zinc/65/11/43/954651143.db2.gz	JOJYFCUJCKUMIQ-LLVKDONJSA-N	-1	0	323.397	0.214	20	30		DCEDRM
C=CCN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1	ZINC001349845385	954907420	/nfs/dbraw/zinc/90/74/20/954907420.db2.gz	BJGPYRMJQDGQOL-AXFHLTTASA-N	-1	0	301.364	0.299	20	30		DCEDRM
C=CCOCC(=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001350670364	955162807	/nfs/dbraw/zinc/16/28/07/955162807.db2.gz	PEBFMLMIGHFULS-LLVKDONJSA-N	-1	0	322.365	0.299	20	30		DCEDRM
COC(=O)c1ccc(COC(=O)[C@](C)(C#N)CC(=O)[O-])nc1	ZINC001593879749	955698256	/nfs/dbraw/zinc/69/82/56/955698256.db2.gz	POVAYZKIKQOUFF-AWEZNQCLSA-N	-1	0	306.274	0.916	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC001594565007	955835099	/nfs/dbraw/zinc/83/50/99/955835099.db2.gz	PARDTQPWPPSZRY-LBPRGKRZSA-N	-1	0	310.313	0.887	20	30		DCEDRM
Cn1nccc1[C@@H]1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC001594593183	956067064	/nfs/dbraw/zinc/06/70/64/956067064.db2.gz	QITKGHDEPYZETO-IFUGULHKSA-N	-1	0	320.349	0.761	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CCCC1	ZINC001594604116	956160423	/nfs/dbraw/zinc/16/04/23/956160423.db2.gz	PDOMTMGYOZBFNN-UHFFFAOYSA-N	-1	0	316.317	0.918	20	30		DCEDRM
N#CCc1ccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1	ZINC001594611168	956211037	/nfs/dbraw/zinc/21/10/37/956211037.db2.gz	IGTQWNPAVMXBMN-UHFFFAOYSA-N	-1	0	301.302	0.122	20	30		DCEDRM
N#Cc1c(=O)n(CN2CCO[C@H](C(=O)[O-])C2)cc2c1CCCC2	ZINC001594614108	956228277	/nfs/dbraw/zinc/22/82/77/956228277.db2.gz	JGCLKVFYAYGLPQ-AWEZNQCLSA-N	-1	0	317.345	0.342	20	30		DCEDRM
N#Cc1ccc(CCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC001594618722	956267306	/nfs/dbraw/zinc/26/73/06/956267306.db2.gz	YDJDKRFMTOEJDF-ZDUSSCGKSA-N	-1	0	315.329	0.150	20	30		DCEDRM
N#Cc1ccc(F)c(CNCCS(=O)(=O)CC(=O)[O-])c1	ZINC001594619514	956268228	/nfs/dbraw/zinc/26/82/28/956268228.db2.gz	DRWYDYGWXXXNFG-UHFFFAOYSA-N	-1	0	300.311	0.286	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)NCCC(=O)[O-])cc1Cl	ZINC001594620191	956275220	/nfs/dbraw/zinc/27/52/20/956275220.db2.gz	BATYNPOQMQJIII-UHFFFAOYSA-N	-1	0	309.709	0.419	20	30		DCEDRM
N#Cc1ccc(N2CC[C@H](C(=O)OCC(=O)C(=O)[O-])C2)c(F)c1	ZINC001594620932	956279927	/nfs/dbraw/zinc/27/99/27/956279927.db2.gz	AJKKJJDEBVVLJW-JTQLQIEISA-N	-1	0	320.276	0.721	20	30		DCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)s1	ZINC001594621033	956282314	/nfs/dbraw/zinc/28/23/14/956282314.db2.gz	ZAOPNMOLYCSJNB-NSHDSACASA-N	-1	0	321.358	0.559	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCOC[C@H]2C(=O)[O-])c1	ZINC001594628968	956339815	/nfs/dbraw/zinc/33/98/15/956339815.db2.gz	ZHNMTDWFSLPHFF-MJBXVCDLSA-N	-1	0	300.314	0.974	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)Nc2cccc(C(=O)[O-])c2)n1	ZINC001594635664	956370241	/nfs/dbraw/zinc/37/02/41/956370241.db2.gz	QFYYVSUJFCHTCU-UHFFFAOYSA-N	-1	0	300.278	0.670	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001589187318	956566150	/nfs/dbraw/zinc/56/61/50/956566150.db2.gz	QJAJSSTZASVJEE-AWEZNQCLSA-N	-1	0	301.306	0.746	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001355773088	956718885	/nfs/dbraw/zinc/71/88/85/956718885.db2.gz	MMPWZVXRNSUPAQ-AWEZNQCLSA-N	-1	0	323.353	0.073	20	30		DCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N1CC[C@H](C)[C@H](F)C1	ZINC001355899684	956741395	/nfs/dbraw/zinc/74/13/95/956741395.db2.gz	CSCDXSKLIMYJFA-WDEREUQCSA-N	-1	0	320.376	0.947	20	30		DCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N1CC[C@@H](C)[C@H](F)C1	ZINC001355899681	956742615	/nfs/dbraw/zinc/74/26/15/956742615.db2.gz	CSCDXSKLIMYJFA-GHMZBOCLSA-N	-1	0	320.376	0.947	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(Cc2cc(C#N)ccc2OC)CCO1	ZINC001593986184	956784087	/nfs/dbraw/zinc/78/40/87/956784087.db2.gz	PIWRAOUTKGOOPL-MRXNPFEDSA-N	-1	0	320.345	0.869	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC001594000168	956921119	/nfs/dbraw/zinc/92/11/19/956921119.db2.gz	DJVCEIKGQJVBSK-GHMZBOCLSA-N	-1	0	319.383	0.031	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)c1cccc(C#CCO)c1	ZINC001594008262	956984225	/nfs/dbraw/zinc/98/42/25/956984225.db2.gz	QDWKMDSWPKSDBT-UHFFFAOYSA-N	-1	0	305.330	0.594	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)NCc1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC001603146053	972244276	/nfs/dbraw/zinc/24/42/76/972244276.db2.gz	YKYWRLXRGKFESQ-VIFPVBQESA-N	-1	0	321.308	0.493	20	30		DCEDRM
Cc1nn2cccnc2c1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC001357579933	957323404	/nfs/dbraw/zinc/32/34/04/957323404.db2.gz	FHFNMYKRDZUAMC-SNVBAGLBSA-N	-1	0	308.301	0.977	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cnc2c(cnn2C)c1	ZINC001357599650	957326425	/nfs/dbraw/zinc/32/64/25/957326425.db2.gz	YFOVZMLHDHTKQK-NSHDSACASA-N	-1	0	308.301	0.907	20	30		DCEDRM
C=CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-]	ZINC000150074839	957826161	/nfs/dbraw/zinc/82/61/61/957826161.db2.gz	YQRGBMUFYLQERR-NSHDSACASA-N	-1	0	312.347	0.817	20	30		DCEDRM
C#CC1(O)CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1	ZINC001588386073	957976743	/nfs/dbraw/zinc/97/67/43/957976743.db2.gz	NTHPAVYRNKHGCD-UHFFFAOYSA-N	-1	0	303.314	0.750	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc2n[nH]cc2c(C)c1	ZINC001588396050	958047041	/nfs/dbraw/zinc/04/70/41/958047041.db2.gz	STMQKGKIGAPQCK-UHFFFAOYSA-N	-1	0	314.301	0.356	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CCN1CCOC[C@@H]1C(=O)[O-]	ZINC000088380505	958054680	/nfs/dbraw/zinc/05/46/80/958054680.db2.gz	IBNVDRNKBBOYIV-SNVBAGLBSA-N	-1	0	309.347	0.734	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnc(C(C)C)nc1	ZINC001588397949	958066163	/nfs/dbraw/zinc/06/61/63/958066163.db2.gz	ZMMBIUKJWFDRCV-UHFFFAOYSA-N	-1	0	304.306	0.085	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H]1C(=O)Nc2ccc(F)cc21	ZINC001588402396	958092064	/nfs/dbraw/zinc/09/20/64/958092064.db2.gz	SUDJFTISCDHWCI-LLVKDONJSA-N	-1	0	304.277	0.798	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCCNC(=O)c1cccnc1	ZINC001588402663	958095027	/nfs/dbraw/zinc/09/50/27/958095027.db2.gz	ZSOCCQAQEPMOMK-UHFFFAOYSA-N	-1	0	303.318	0.138	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(S(=O)(=O)CC)cc1	ZINC001588407809	958102697	/nfs/dbraw/zinc/10/26/97/958102697.db2.gz	WACYMCCMRCYCGU-UHFFFAOYSA-N	-1	0	323.370	0.569	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccnc(-n2ccnc2)c1	ZINC001588408966	958121658	/nfs/dbraw/zinc/12/16/58/958121658.db2.gz	OMNJSOGKJCILKB-UHFFFAOYSA-N	-1	0	313.317	0.497	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc2c1CCN(C)C2=O	ZINC001588413042	958156649	/nfs/dbraw/zinc/15/66/49/958156649.db2.gz	PZTGRVAWRAZZSN-UHFFFAOYSA-N	-1	0	315.329	0.866	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1	ZINC001588413171	958157872	/nfs/dbraw/zinc/15/78/72/958157872.db2.gz	UETPQECVYIVVSZ-GFCCVEGCSA-N	-1	0	315.329	0.842	20	30		DCEDRM
O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccns1	ZINC001361713812	958245574	/nfs/dbraw/zinc/24/55/74/958245574.db2.gz	BCYCMCLGWLZYFV-UHFFFAOYSA-N	-1	0	322.371	0.820	20	30		DCEDRM
C#CCN1CCC[C@H]1c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CC	ZINC001588429755	958248376	/nfs/dbraw/zinc/24/83/76/958248376.db2.gz	BXUYGLLIHJWAHY-OLZOCXBDSA-N	-1	0	317.393	0.979	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)Nc2cccnc2C(=O)[O-])C1	ZINC001588429829	958250239	/nfs/dbraw/zinc/25/02/39/958250239.db2.gz	DRACLIGWTBGWBD-NSHDSACASA-N	-1	0	302.334	0.999	20	30		DCEDRM
C#Cc1ccccc1CC(=O)NCCOCCOCC(=O)[O-]	ZINC001588439401	958318457	/nfs/dbraw/zinc/31/84/57/958318457.db2.gz	OCYTYNBZFCNANL-UHFFFAOYSA-N	-1	0	305.330	0.444	20	30		DCEDRM
C#Cc1cccnc1N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001588439969	958326612	/nfs/dbraw/zinc/32/66/12/958326612.db2.gz	WXNZCJAWVQZVGQ-CYBMUJFWSA-N	-1	0	313.357	0.965	20	30		DCEDRM
N#CC[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)c1ccccc1	ZINC001361786730	958330851	/nfs/dbraw/zinc/33/08/51/958330851.db2.gz	ZEQBHQXOHXRZBY-STQMWFEESA-N	-1	0	312.333	0.797	20	30		DCEDRM
CN(Cc1ccncc1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001463865363	1013176408	/nfs/dbraw/zinc/17/64/08/1013176408.db2.gz	VKOODOYFAWFFIQ-UHFFFAOYSA-N	-1	0	313.317	0.264	20	30		DCEDRM
C=CCC[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)C(=O)OCC	ZINC001588456952	958441882	/nfs/dbraw/zinc/44/18/82/958441882.db2.gz	COVLJTPJFNISBO-SECBINFHSA-N	-1	0	309.322	0.746	20	30		DCEDRM
C#CCN1CCN(C(=O)CN(CC(=O)[O-])CC(C)(C)C)CC1	ZINC001573327760	958493359	/nfs/dbraw/zinc/49/33/59/958493359.db2.gz	WBTOOXPTAUGLKQ-UHFFFAOYSA-N	-1	0	309.410	0.197	20	30		DCEDRM
CN(C[C@H]1CCCCO1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361958643	958541188	/nfs/dbraw/zinc/54/11/88/958541188.db2.gz	OFPMAJXCBPFCBP-GFCCVEGCSA-N	-1	0	320.349	0.238	20	30		DCEDRM
CC#CCS(=O)(=O)c1cccc(C(=O)NCCC(=O)[O-])c1	ZINC001588481275	958592913	/nfs/dbraw/zinc/59/29/13/958592913.db2.gz	WCLBEHCVVAFNNM-UHFFFAOYSA-N	-1	0	309.343	0.688	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1Cc2ccccc2NC(=O)C1	ZINC001588535512	958930354	/nfs/dbraw/zinc/93/03/54/958930354.db2.gz	OTUYHHBIHAXBFN-OAHLLOKOSA-N	-1	0	301.302	0.972	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1	ZINC001588538981	958947605	/nfs/dbraw/zinc/94/76/05/958947605.db2.gz	SLMYDRJVOOYJKM-OQPBUACISA-N	-1	0	308.294	0.486	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CC(=O)N(C2CC2)C1	ZINC001362222540	958951439	/nfs/dbraw/zinc/95/14/39/958951439.db2.gz	ZXHUOZFPUZZKIP-JTQLQIEISA-N	-1	0	300.318	0.460	20	30		DCEDRM
C[C@H](C#N)Oc1ccccc1NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001588545436	958995800	/nfs/dbraw/zinc/99/58/00/958995800.db2.gz	UJUSWJFIZCUIKY-SECBINFHSA-N	-1	0	315.289	0.906	20	30		DCEDRM
C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1)n1cnc(C#N)n1	ZINC001588551695	959028072	/nfs/dbraw/zinc/02/80/72/959028072.db2.gz	KZHGCIOHOREGAI-PRHODGIISA-N	-1	0	317.280	0.792	20	30		DCEDRM
CC[C@@H]1CCC[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362287565	959074753	/nfs/dbraw/zinc/07/47/53/959074753.db2.gz	OASDYJLXBGROGA-PWSUYJOCSA-N	-1	0	304.350	0.906	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)[O-]	ZINC000159572253	959119509	/nfs/dbraw/zinc/11/95/09/959119509.db2.gz	UBCSOABVTFLBKA-SNVBAGLBSA-N	-1	0	313.331	0.459	20	30		DCEDRM
N#Cc1ccnc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)c1	ZINC001362408049	959294224	/nfs/dbraw/zinc/29/42/24/959294224.db2.gz	MRQZEAGEFCUHKH-SNVBAGLBSA-N	-1	0	301.335	0.397	20	30		DCEDRM
CN(Cc1cccn1C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362432902	959344945	/nfs/dbraw/zinc/34/49/45/959344945.db2.gz	ONPSZQPVOBJLPC-UHFFFAOYSA-N	-1	0	315.333	0.208	20	30		DCEDRM
Cc1ncc(CO)c(/C=N\CC2(C(=O)[O-])CCOCC2)c1O	ZINC001594469363	959538683	/nfs/dbraw/zinc/53/86/83/959538683.db2.gz	NZYKCVXYMPEGRP-APSNUPSMSA-N	-1	0	308.334	0.888	20	30		DCEDRM
CC(C)(NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001362717320	959882306	/nfs/dbraw/zinc/88/23/06/959882306.db2.gz	PKGAIASCFXVWGC-UHFFFAOYSA-N	-1	0	304.228	0.278	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCCCC1	ZINC001362810921	960024970	/nfs/dbraw/zinc/02/49/70/960024970.db2.gz	ZQDFPVXXMOKJTH-SNVBAGLBSA-N	-1	0	304.350	0.906	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCS(=O)(=O)C1CC1	ZINC001362867396	960110631	/nfs/dbraw/zinc/11/06/31/960110631.db2.gz	SALANKNIEXPSNI-UHFFFAOYSA-N	-1	0	309.347	0.274	20	30		DCEDRM
CCO[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362867480	960111659	/nfs/dbraw/zinc/11/16/59/960111659.db2.gz	JKKQHWHOCHTJAW-VXGBXAGGSA-N	-1	0	320.349	0.284	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362949454	960215258	/nfs/dbraw/zinc/21/52/58/960215258.db2.gz	RIQIAMCTFXCSBD-LLVKDONJSA-N	-1	0	315.333	0.363	20	30		DCEDRM
CC(C)n1cccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363006772	960291502	/nfs/dbraw/zinc/29/15/02/960291502.db2.gz	ZVDPKMZLSQLVHF-UHFFFAOYSA-N	-1	0	315.333	0.633	20	30		DCEDRM
CC(C)(CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)OCC1CC1	ZINC001363070382	960369552	/nfs/dbraw/zinc/36/95/52/960369552.db2.gz	SMFQBRWJRNQSAO-UHFFFAOYSA-N	-1	0	320.349	0.142	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CCc2ccccc2)c(=O)[n-]c1=O	ZINC001363125854	960435337	/nfs/dbraw/zinc/43/53/37/960435337.db2.gz	CXJXTMANHJFOHQ-UHFFFAOYSA-N	-1	0	312.329	0.570	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H]2CC3CCC2CC3)c(=O)[n-]c1=O	ZINC001363128877	960442237	/nfs/dbraw/zinc/44/22/37/960442237.db2.gz	NUPJCQLJQCPTID-XIVSLSHWSA-N	-1	0	316.361	0.763	20	30		DCEDRM
C[C@@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccncc1	ZINC001363130588	960445884	/nfs/dbraw/zinc/44/58/84/960445884.db2.gz	YVPDBLUIYHIRQN-SNVBAGLBSA-N	-1	0	313.317	0.135	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c(C#N)c1=O	ZINC001363155016	960497152	/nfs/dbraw/zinc/49/71/52/960497152.db2.gz	JXFIQSRBFQMYSL-DTORHVGOSA-N	-1	0	320.349	0.477	20	30		DCEDRM
CCC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCOCC1	ZINC001363289340	960800182	/nfs/dbraw/zinc/80/01/82/960800182.db2.gz	XPDSSHKFHODJJB-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
C[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)C[C@H]1CC(=O)[O-]	ZINC001571076770	960961403	/nfs/dbraw/zinc/96/14/03/960961403.db2.gz	INWOJBURGINJDZ-ZYHUDNBSSA-N	-1	0	302.334	0.934	20	30		DCEDRM
Cc1c(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)nnn1C(C)C	ZINC001571087709	961087275	/nfs/dbraw/zinc/08/72/75/961087275.db2.gz	KQQJGEMKXSFBEY-UHFFFAOYSA-N	-1	0	305.338	0.998	20	30		DCEDRM
N#Cc1cscc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001571095635	961155197	/nfs/dbraw/zinc/15/51/97/961155197.db2.gz	BCRZIWDIUFMEPU-SNVBAGLBSA-N	-1	0	307.331	0.425	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2COCCN2CC(F)F)[n-]c1C#N	ZINC001363467861	961216302	/nfs/dbraw/zinc/21/63/02/961216302.db2.gz	VPWIWKGCEPIRGB-SECBINFHSA-N	-1	0	310.264	0.057	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC001363472917	961229884	/nfs/dbraw/zinc/22/98/84/961229884.db2.gz	HWFROEIIEKLDFU-ZYHUDNBSSA-N	-1	0	314.345	0.708	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1C#N	ZINC001571107098	961295022	/nfs/dbraw/zinc/29/50/22/961295022.db2.gz	ZJZGUELAXMIWJB-CMPLNLGQSA-N	-1	0	310.331	0.387	20	30		DCEDRM
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cc1	ZINC001363522934	961354424	/nfs/dbraw/zinc/35/44/24/961354424.db2.gz	HKXUPQTYGBTOBR-KGLIPLIRSA-N	-1	0	321.344	0.770	20	30		DCEDRM
N#Cc1cccc(-c2cc(C(=O)N3CC(O)(C(=O)[O-])C3)on2)c1	ZINC001571119137	961425313	/nfs/dbraw/zinc/42/53/13/961425313.db2.gz	VSLPZSNOOROWCM-UHFFFAOYSA-N	-1	0	313.269	0.485	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])ccc1F	ZINC001571120601	961444691	/nfs/dbraw/zinc/44/46/91/961444691.db2.gz	YHQGZNRXFFIINZ-WDEREUQCSA-N	-1	0	314.294	0.218	20	30		DCEDRM
N#Cc1cc(NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)ccn1	ZINC001571123213	961465683	/nfs/dbraw/zinc/46/56/83/961465683.db2.gz	OBXANPAZFGYPRV-CQSZACIVSA-N	-1	0	315.289	0.791	20	30		DCEDRM
Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)NCCC#N)C2)cn1	ZINC001574453384	961484566	/nfs/dbraw/zinc/48/45/66/961484566.db2.gz	GMSOUWXYASWWIE-WDEREUQCSA-N	-1	0	305.338	0.533	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)CCc1nnn[n-]1)C(=O)OCC	ZINC001363597932	961522209	/nfs/dbraw/zinc/52/22/09/961522209.db2.gz	RKNYIGNSOQGDER-MRVPVSSYSA-N	-1	0	301.734	0.323	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)NCc2ccccc2C(=O)[O-])C1	ZINC001574480266	961659875	/nfs/dbraw/zinc/65/98/75/961659875.db2.gz	CZJNJTHSAKIFIZ-OAHLLOKOSA-N	-1	0	303.318	0.945	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cc1	ZINC001574486287	961683445	/nfs/dbraw/zinc/68/34/45/961683445.db2.gz	UFRPIIYGVMCESY-ZDUSSCGKSA-N	-1	0	315.329	0.754	20	30		DCEDRM
CN(Cc1ccc(F)c(F)c1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363727135	961768436	/nfs/dbraw/zinc/76/84/36/961768436.db2.gz	XFWJTQAJOSHQQX-UHFFFAOYSA-N	-1	0	306.272	0.860	20	30		DCEDRM
N#CCCc1ccc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1	ZINC001571164817	961984341	/nfs/dbraw/zinc/98/43/41/961984341.db2.gz	GYNPWLQCXJLWPG-AWEZNQCLSA-N	-1	0	324.358	0.353	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001571166699	962003027	/nfs/dbraw/zinc/00/30/27/962003027.db2.gz	ZLMUTSHKKZHDEV-NWDGAFQWSA-N	-1	0	324.358	0.323	20	30		DCEDRM
COC(=O)c1oc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1C	ZINC001574097345	962376018	/nfs/dbraw/zinc/37/60/18/962376018.db2.gz	LHJDSTKWLOQUNH-CQSZACIVSA-N	-1	0	308.290	0.995	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnn2c1nc(C)cc2C)C(=O)[O-]	ZINC001347997129	962435459	/nfs/dbraw/zinc/43/54/59/962435459.db2.gz	FCKVSCZQNCLGKA-GFCCVEGCSA-N	-1	0	318.333	0.732	20	30		DCEDRM
COCC[C@H](Cc1ccco1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364181829	962625246	/nfs/dbraw/zinc/62/52/46/962625246.db2.gz	IKCRDTXYAHHBEM-SNVBAGLBSA-N	-1	0	318.333	0.598	20	30		DCEDRM
C#CC[C@H](NC(=O)CSCC(=O)N1CCCCC1)C(=O)[O-]	ZINC001573303126	962669766	/nfs/dbraw/zinc/66/97/66/962669766.db2.gz	VLDCSHMKGOIELB-NSHDSACASA-N	-1	0	312.391	0.325	20	30		DCEDRM
C#CCC1(C(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCCCC1	ZINC001573303224	962673305	/nfs/dbraw/zinc/67/33/05/962673305.db2.gz	MHPAGIGGXQRFEG-STQMWFEESA-N	-1	0	320.389	0.913	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CC[C@H](CNC(=O)CNC(=O)[O-])C1	ZINC001573303213	962673364	/nfs/dbraw/zinc/67/33/64/962673364.db2.gz	MFTQYUOWPQNJKM-NWDGAFQWSA-N	-1	0	309.366	0.459	20	30		DCEDRM
C#CCC1(C(=O)N[C@@H](C)CN(C)C(=O)CNC(=O)[O-])CCC1	ZINC001573303985	962683701	/nfs/dbraw/zinc/68/37/01/962683701.db2.gz	VKGWAKGEXHKAQL-NSHDSACASA-N	-1	0	309.366	0.411	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CNC(=O)[O-])C2)cc1	ZINC001573311483	962703636	/nfs/dbraw/zinc/70/36/36/962703636.db2.gz	AHKWXFZIPISXNU-CYBMUJFWSA-N	-1	0	315.329	0.266	20	30		DCEDRM
C=C(Br)CN1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573313925	962738796	/nfs/dbraw/zinc/73/87/96/962738796.db2.gz	UKFTZHHGPOCYCN-IUCAKERBSA-N	-1	0	303.156	0.416	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCS(=O)(=O)C(F)(F)F	ZINC001573332334	962831740	/nfs/dbraw/zinc/83/17/40/962831740.db2.gz	HLDIVQATWSBIDW-UHFFFAOYSA-N	-1	0	303.258	0.458	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(OC)c(OCC(N)=O)c1	ZINC001573337010	962861706	/nfs/dbraw/zinc/86/17/06/962861706.db2.gz	KHPAZYNRQZBCMD-UHFFFAOYSA-N	-1	0	322.317	0.919	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N(CC)CCNC(=O)CNC(=O)[O-]	ZINC001573338641	962877262	/nfs/dbraw/zinc/87/72/62/962877262.db2.gz	FLQZNPYDOIVPPS-UHFFFAOYSA-N	-1	0	319.789	0.997	20	30		DCEDRM
C=C(Cl)CN1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])CCO2	ZINC001573339342	962889292	/nfs/dbraw/zinc/88/92/92/962889292.db2.gz	QRCZXNJDRSJLKM-WDEREUQCSA-N	-1	0	314.769	0.373	20	30		DCEDRM
C=C(Cl)CN1CCC(CO)(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573339336	962889657	/nfs/dbraw/zinc/88/96/57/962889657.db2.gz	QMKOCPNFCMLJTJ-QWRGUYRKSA-N	-1	0	316.785	0.403	20	30		DCEDRM
C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(=O)[O-])C3)C1	ZINC001573343743	962907190	/nfs/dbraw/zinc/90/71/90/962907190.db2.gz	JMZHGIGBCAUKDD-WOPDTQHZSA-N	-1	0	321.377	0.858	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)COCc1ocnc1C(=O)[O-]	ZINC001573379682	963109500	/nfs/dbraw/zinc/10/95/00/963109500.db2.gz	RTEPSBZDXNIOAA-UWVGGRQHSA-N	-1	0	310.306	0.597	20	30		DCEDRM
CC(=O)N1CCCC[C@@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001573411924	963161680	/nfs/dbraw/zinc/16/16/80/963161680.db2.gz	ZLCBWVSRGWOWGJ-GFCCVEGCSA-N	-1	0	307.350	0.604	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC001588447090	964082683	/nfs/dbraw/zinc/08/26/83/964082683.db2.gz	DTKYKPROVPHLMO-UHFFFAOYSA-N	-1	0	312.347	0.440	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC001588447566	964089008	/nfs/dbraw/zinc/08/90/08/964089008.db2.gz	LUBHNLIWSFIRTB-UHFFFAOYSA-N	-1	0	303.380	0.543	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588447948	964092975	/nfs/dbraw/zinc/09/29/75/964092975.db2.gz	VBXVTQIAUOYNPV-UHFFFAOYSA-N	-1	0	317.407	0.933	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C)c1[O-]	ZINC001371115214	966730387	/nfs/dbraw/zinc/73/03/87/966730387.db2.gz	APSYPUZJZWIORS-PSASIEDQSA-N	-1	0	321.381	0.844	20	30		DCEDRM
C#CCN(CCS(=O)(=O)c1cccc(C#N)c1)CC(=O)[O-]	ZINC000163340573	967660191	/nfs/dbraw/zinc/66/01/91/967660191.db2.gz	OAPIQFADJMFSNM-UHFFFAOYSA-N	-1	0	306.343	0.352	20	30		DCEDRM
C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001610068657	970656170	/nfs/dbraw/zinc/65/61/70/970656170.db2.gz	WRVTYYFILIBCHK-TYNCELHUSA-N	-1	0	309.366	0.313	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000393797466	972641339	/nfs/dbraw/zinc/64/13/39/972641339.db2.gz	MDNBUEUXPHCXEH-UHFFFAOYSA-N	-1	0	316.310	0.104	20	30		DCEDRM
CC[C@](C)(C#N)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001603505149	973486957	/nfs/dbraw/zinc/48/69/57/973486957.db2.gz	YKXYRSRGIBFINW-MEDUHNTESA-N	-1	0	321.377	0.850	20	30		DCEDRM
Cc1nnc(N[C@H]2CCCCN(CC(=O)[O-])C2=O)c(C#N)c1C	ZINC001605444651	973509865	/nfs/dbraw/zinc/50/98/65/973509865.db2.gz	NNYCWESFKUUOFX-LBPRGKRZSA-N	-1	0	317.349	0.843	20	30		DCEDRM
COCCN(CC(=O)[O-])C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC001604584590	973676764	/nfs/dbraw/zinc/67/67/64/973676764.db2.gz	SPFQIIRCYKHVDQ-CQSZACIVSA-N	-1	0	315.329	0.800	20	30		DCEDRM
N#CCCCCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC001605581476	973857422	/nfs/dbraw/zinc/85/74/22/973857422.db2.gz	ACEQYNLRFWFUQN-UHFFFAOYSA-N	-1	0	303.318	0.811	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001605581747	973861032	/nfs/dbraw/zinc/86/10/32/973861032.db2.gz	KVNXBEKFSKFCPR-NEPJUHHUSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001605586065	973880221	/nfs/dbraw/zinc/88/02/21/973880221.db2.gz	PIEOMBHWBNAONK-UHFFFAOYSA-N	-1	0	302.290	0.202	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC001604685427	973882434	/nfs/dbraw/zinc/88/24/34/973882434.db2.gz	ZHYMBQBOAKMCON-SECBINFHSA-N	-1	0	319.317	0.684	20	30		DCEDRM
N#Cc1c(F)cc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1F	ZINC001605590609	973885108	/nfs/dbraw/zinc/88/51/08/973885108.db2.gz	IVMUBSAIACEVKT-LLVKDONJSA-N	-1	0	309.228	0.682	20	30		DCEDRM
N#Cc1c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[nH]nc1N1CCOCC1	ZINC001605591384	973889060	/nfs/dbraw/zinc/88/90/60/973889060.db2.gz	ZWOKMSLJZRJPHT-DTWKUNHWSA-N	-1	0	319.321	0.167	20	30		DCEDRM
COc1cc(NC(=O)C(=O)N(C)CCC(=O)[O-])c(F)cc1C#N	ZINC001604722112	973928107	/nfs/dbraw/zinc/92/81/07/973928107.db2.gz	PTIPUZOFRNDDOE-UHFFFAOYSA-N	-1	0	323.280	0.578	20	30		DCEDRM
N#Cc1ccc(NC(=O)NCCOCCOCC(=O)[O-])nc1	ZINC001605612968	973931005	/nfs/dbraw/zinc/93/10/05/973931005.db2.gz	VKFPMWWAZXVPJX-UHFFFAOYSA-N	-1	0	308.294	0.193	20	30		DCEDRM
CCc1nn([C@H]2CCN(CC(=O)[O-])C2=O)c(=O)c(C#N)c1CC	ZINC001603993604	974495420	/nfs/dbraw/zinc/49/54/20/974495420.db2.gz	XRYOGBNMIUJRGE-LBPRGKRZSA-N	-1	0	318.333	0.098	20	30		DCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)o1	ZINC001591719542	975641369	/nfs/dbraw/zinc/64/13/69/975641369.db2.gz	DNQQRGRAXSQPGZ-SNVBAGLBSA-N	-1	0	316.335	0.650	20	30		DCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC001591720476	975652156	/nfs/dbraw/zinc/65/21/56/975652156.db2.gz	NNQAYSQRZITKNW-WDEREUQCSA-N	-1	0	321.399	0.275	20	30		DCEDRM
CC(C)[C@H](NC(=O)COC(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001591878381	976234419	/nfs/dbraw/zinc/23/44/19/976234419.db2.gz	LMZONHFPLRFXRC-LBPRGKRZSA-N	-1	0	305.290	0.335	20	30		DCEDRM
CC(C)n1nnc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001592171672	977073536	/nfs/dbraw/zinc/07/35/36/977073536.db2.gz	MRUAKEIHOSTLGK-UHFFFAOYSA-N	-1	0	307.314	0.476	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccoc1C(=O)[O-]	ZINC001592221462	977399859	/nfs/dbraw/zinc/39/98/59/977399859.db2.gz	HRGGLTQBIMXYJA-QMMMGPOBSA-N	-1	0	301.324	0.546	20	30		DCEDRM
C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001592221576	977400827	/nfs/dbraw/zinc/40/08/27/977400827.db2.gz	KWLQMXGOVCWHMQ-JTQLQIEISA-N	-1	0	319.317	0.849	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NC1(CC(=O)[O-])CCOCC1	ZINC001592222317	977405718	/nfs/dbraw/zinc/40/57/18/977405718.db2.gz	USXKRUZJGDXQGA-SNVBAGLBSA-N	-1	0	319.383	0.079	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NC1(CC(=O)[O-])CCOCC1	ZINC001592222316	977406140	/nfs/dbraw/zinc/40/61/40/977406140.db2.gz	USXKRUZJGDXQGA-JTQLQIEISA-N	-1	0	319.383	0.079	20	30		DCEDRM
C[C@@H](CC#N)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001592222183	977406295	/nfs/dbraw/zinc/40/62/95/977406295.db2.gz	SLSAILIPXUUCHC-QMMMGPOBSA-N	-1	0	307.310	0.060	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001592222561	977408409	/nfs/dbraw/zinc/40/84/09/977408409.db2.gz	YKINWQBUTXBKEZ-VHSXEESVSA-N	-1	0	321.424	0.215	20	30		DCEDRM
C#CC1(O)CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC1	ZINC000708108518	977415165	/nfs/dbraw/zinc/41/51/65/977415165.db2.gz	UCNKWJDFZJJWDD-UHFFFAOYSA-N	-1	0	315.372	0.595	20	30		DCEDRM
C#CCCCS(=O)(=O)N1CCCC[C@]1(COC)C(=O)[O-]	ZINC000710624204	977516673	/nfs/dbraw/zinc/51/66/73/977516673.db2.gz	ZPSXEKZMOYIWHB-ZDUSSCGKSA-N	-1	0	303.380	0.685	20	30		DCEDRM
C=C(Cl)CN(CCNC(=O)c1[nH]nc(C)c1[O-])CCOC	ZINC001449328606	1014414289	/nfs/dbraw/zinc/41/42/89/1014414289.db2.gz	MMXQGMGZWQLWCT-UHFFFAOYSA-N	-1	0	316.789	0.854	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C	ZINC000718157258	977960199	/nfs/dbraw/zinc/96/01/99/977960199.db2.gz	VYPHERSCLMWLSV-SECBINFHSA-N	-1	0	301.295	0.105	20	30		DCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC(=O)NCC(=O)[O-]	ZINC001592833125	979568565	/nfs/dbraw/zinc/56/85/65/979568565.db2.gz	BJGNTFSXFYNOPN-SNVBAGLBSA-N	-1	0	303.318	0.054	20	30		DCEDRM
C[C@@H](OC(=O)[C@@H](C)Cc1ccc(C#N)cc1)C(=O)NCC(=O)[O-]	ZINC001592833151	979568983	/nfs/dbraw/zinc/56/89/83/979568983.db2.gz	CANSPVWBSGJNCC-WDEREUQCSA-N	-1	0	318.329	0.869	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc2c1CCOC2	ZINC001524029299	1014827935	/nfs/dbraw/zinc/82/79/35/1014827935.db2.gz	LFKUXPMYINFUHZ-AWEZNQCLSA-N	-1	0	302.330	0.844	20	30		DCEDRM
CCCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@H](C)C(=O)[O-]	ZINC001595817407	982680438	/nfs/dbraw/zinc/68/04/38/982680438.db2.gz	WCRDUPUXJCIZCR-WBNXYMAISA-N	-1	0	323.349	0.615	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC001588369634	983316127	/nfs/dbraw/zinc/31/61/27/983316127.db2.gz	RIKPRQFVEWNUAN-JTQLQIEISA-N	-1	0	304.302	0.860	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)[C@@H]1CCCO1	ZINC001588370447	983319291	/nfs/dbraw/zinc/31/92/91/983319291.db2.gz	DDWQIWLKWBFRPN-VOAKCMCISA-N	-1	0	322.361	0.043	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCSC[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC001588372506	983331787	/nfs/dbraw/zinc/33/17/87/983331787.db2.gz	MCQBGQGEPAOSCN-SRVKXCTJSA-N	-1	0	312.391	0.626	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)[C@H]1CCCO1	ZINC001588376079	983349379	/nfs/dbraw/zinc/34/93/79/983349379.db2.gz	PPAODTAMIWKMMK-NXEZZACHSA-N	-1	0	313.331	0.745	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)[C@H]1CCCO1	ZINC001588376084	983349558	/nfs/dbraw/zinc/34/95/58/983349558.db2.gz	PPAODTAMIWKMMK-VHSXEESVSA-N	-1	0	313.331	0.745	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)C1	ZINC001588383018	983376618	/nfs/dbraw/zinc/37/66/18/983376618.db2.gz	WLLJEQASBOBSCD-UHFFFAOYSA-N	-1	0	321.354	0.171	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588390347	983393182	/nfs/dbraw/zinc/39/31/82/983393182.db2.gz	RSDPSUQEVXPBRK-LBPRGKRZSA-N	-1	0	318.329	0.868	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588390463	983394210	/nfs/dbraw/zinc/39/42/10/983394210.db2.gz	VPORPJXVBWOKCS-LBPRGKRZSA-N	-1	0	318.329	0.868	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588394732	983403890	/nfs/dbraw/zinc/40/38/90/983403890.db2.gz	NUZQDRLFQIBCJR-JTQLQIEISA-N	-1	0	308.338	0.863	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccccc1CCC(=O)[O-])C(=O)OC	ZINC001588417028	983438296	/nfs/dbraw/zinc/43/82/96/983438296.db2.gz	VGEKSPPCJOZTCR-CYBMUJFWSA-N	-1	0	303.314	0.999	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)CCc1ccc(OC)cc1)C(=O)[O-]	ZINC001588424587	983455732	/nfs/dbraw/zinc/45/57/32/983455732.db2.gz	XLEXIONZNRCJEY-ZDUSSCGKSA-N	-1	0	311.359	0.634	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)[O-]	ZINC001588428170	983460158	/nfs/dbraw/zinc/46/01/58/983460158.db2.gz	DWWXZAGXPXUTIX-ZETCQYMHSA-N	-1	0	304.305	0.411	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc2c1O[C@@H](C)C2)C(=O)[O-]	ZINC001588428538	983462606	/nfs/dbraw/zinc/46/26/06/983462606.db2.gz	RZDQJFQGZYGRPY-GXSJLCMTSA-N	-1	0	309.343	0.765	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc(OC)c1F)C(=O)[O-]	ZINC001588428661	983463089	/nfs/dbraw/zinc/46/30/89/983463089.db2.gz	WVNNLUVYAHIMHE-QMMMGPOBSA-N	-1	0	301.295	0.589	20	30		DCEDRM
C#CCC1(O)CCN(Cc2noc(CCCC(=O)[O-])n2)CC1	ZINC001588432067	983467333	/nfs/dbraw/zinc/46/73/33/983467333.db2.gz	WNLSSWMTEKDPNX-UHFFFAOYSA-N	-1	0	307.350	0.827	20	30		DCEDRM
C#CCN(C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC001588461734	983491469	/nfs/dbraw/zinc/49/14/69/983491469.db2.gz	ZHWUZINPRQXKJO-HNNXBMFYSA-N	-1	0	313.357	0.845	20	30		DCEDRM
C#CCN(Cc1ccc(/C=C/C(=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1	ZINC001588469986	983504666	/nfs/dbraw/zinc/50/46/66/983504666.db2.gz	XUYNKEDRWLGCGA-BTDICHCPSA-N	-1	0	323.370	1.000	20	30		DCEDRM
C#CCN(Cc1cncc(C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC001588471650	983507212	/nfs/dbraw/zinc/50/72/12/983507212.db2.gz	VFWIWLRKERTCDO-CYBMUJFWSA-N	-1	0	308.359	0.402	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001588479246	983518304	/nfs/dbraw/zinc/51/83/04/983518304.db2.gz	FTCVOQWAIWVATF-QMMMGPOBSA-N	-1	0	320.257	0.588	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	ZINC001588479466	983519680	/nfs/dbraw/zinc/51/96/80/983519680.db2.gz	PGRYLCVDGHDFHQ-UONOGXRCSA-N	-1	0	320.389	0.865	20	30		DCEDRM
C#CCNC(=O)CN1CCc2c(C(=O)[O-])ccc(OC)c2C1	ZINC001588484266	983523779	/nfs/dbraw/zinc/52/37/79/983523779.db2.gz	XXVTUIJKRJCFFQ-UHFFFAOYSA-N	-1	0	302.330	0.501	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)c1	ZINC001588497916	983542141	/nfs/dbraw/zinc/54/21/41/983542141.db2.gz	KTEOKNUZQAYAHU-UHFFFAOYSA-N	-1	0	302.286	0.371	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])n1	ZINC001588509403	983552562	/nfs/dbraw/zinc/55/25/62/983552562.db2.gz	CFZUDEUDFBBFTK-AAEUAGOBSA-N	-1	0	304.350	0.769	20	30		DCEDRM
C#Cc1cccnc1N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001588528889	983578536	/nfs/dbraw/zinc/57/85/36/983578536.db2.gz	LJUVZKPESOMSHP-INIZCTEOSA-N	-1	0	301.346	0.429	20	30		DCEDRM
C=C(Br)COC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588529403	983581470	/nfs/dbraw/zinc/58/14/70/983581470.db2.gz	YHHPFUVBQAQXJZ-MRVPVSSYSA-N	-1	0	320.139	0.761	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588535353	983589149	/nfs/dbraw/zinc/58/91/49/983589149.db2.gz	NGVJRAZWCKDARH-AGIUHOORSA-N	-1	0	322.361	0.373	20	30		DCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001588536481	983593944	/nfs/dbraw/zinc/59/39/44/983593944.db2.gz	BRCZTPSEDDIIRF-ZETCQYMHSA-N	-1	0	306.365	0.447	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1)C(=O)[O-]	ZINC001588536822	983595841	/nfs/dbraw/zinc/59/58/41/983595841.db2.gz	FJLLGNKXUNYSBH-NWDGAFQWSA-N	-1	0	306.322	0.449	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1	ZINC001588546744	983616610	/nfs/dbraw/zinc/61/66/10/983616610.db2.gz	BTJVPBJSSGOENL-LBPRGKRZSA-N	-1	0	320.349	0.505	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001588546949	983617820	/nfs/dbraw/zinc/61/78/20/983617820.db2.gz	GARALKLNSYBBER-GFCCVEGCSA-N	-1	0	307.350	0.674	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-]	ZINC001588555734	983637103	/nfs/dbraw/zinc/63/71/03/983637103.db2.gz	QGDDLNTYMXIADE-MRVPVSSYSA-N	-1	0	307.759	0.771	20	30		DCEDRM
C=C(C)CN(CC)C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001588563009	983644245	/nfs/dbraw/zinc/64/42/45/983644245.db2.gz	MEFWATMFMFNYQR-UHFFFAOYSA-N	-1	0	308.338	0.639	20	30		DCEDRM
C=C(C)Cn1c([C@@H](O)CC)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588591087	983671447	/nfs/dbraw/zinc/67/14/47/983671447.db2.gz	DXINNGPWATYCCN-QWRGUYRKSA-N	-1	0	310.354	0.587	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-]	ZINC001596299344	983723343	/nfs/dbraw/zinc/72/33/43/983723343.db2.gz	CSTUTNODALPIPO-SRVKXCTJSA-N	-1	0	315.395	0.652	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCC1(O)CCC2(CC1)OCCO2	ZINC001588622960	983726055	/nfs/dbraw/zinc/72/60/55/983726055.db2.gz	HPYCQWURQULSRE-UHFFFAOYSA-N	-1	0	313.350	0.572	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1ccc(S(C)(=O)=O)nc1	ZINC001588629498	983737753	/nfs/dbraw/zinc/73/77/53/983737753.db2.gz	CPJDUBYJWLUOBN-UHFFFAOYSA-N	-1	0	312.347	0.522	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ncc(C#N)cc1F	ZINC001596332364	983770112	/nfs/dbraw/zinc/77/01/12/983770112.db2.gz	HVCWTQPNJRGCCZ-QWRGUYRKSA-N	-1	0	320.324	0.756	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1	ZINC001588669063	983808664	/nfs/dbraw/zinc/80/86/64/983808664.db2.gz	GCELWNORNCOFKV-BWZBUEFSSA-N	-1	0	301.286	0.533	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588683836	983852316	/nfs/dbraw/zinc/85/23/16/983852316.db2.gz	FTGUKUMZDVEKRV-GDBMZVCRSA-N	-1	0	311.378	0.922	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCC[C@@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001588684893	983864961	/nfs/dbraw/zinc/86/49/61/983864961.db2.gz	ZYAYWUNMAMLWIX-MEBBXXQBSA-N	-1	0	322.365	0.809	20	30		DCEDRM
C=CCC(F)(F)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588743991	984040909	/nfs/dbraw/zinc/04/09/09/984040909.db2.gz	GKYANTRRMKLVQQ-MRVPVSSYSA-N	-1	0	300.265	0.961	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC	ZINC001588744085	984041301	/nfs/dbraw/zinc/04/13/01/984041301.db2.gz	HJNKXVVOTVOJMN-SECBINFHSA-N	-1	0	322.317	0.385	20	30		DCEDRM
C=CCCC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C(=O)[O-])n1	ZINC001588774126	984151576	/nfs/dbraw/zinc/15/15/76/984151576.db2.gz	UESRMMHGPLYUIP-NSHDSACASA-N	-1	0	322.365	0.397	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC001588777989	984158430	/nfs/dbraw/zinc/15/84/30/984158430.db2.gz	ONZBSKFNIFTSGY-MRVPVSSYSA-N	-1	0	312.347	0.828	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OCC	ZINC001588778779	984163173	/nfs/dbraw/zinc/16/31/73/984163173.db2.gz	LTZLOTCHAUSVNL-AXFHLTTASA-N	-1	0	319.379	0.667	20	30		DCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588779063	984164583	/nfs/dbraw/zinc/16/45/83/984164583.db2.gz	RUHOBYLZWZWMRA-VIFPVBQESA-N	-1	0	300.336	0.385	20	30		DCEDRM
C=CCCOCCn1nnnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588813402	984269828	/nfs/dbraw/zinc/26/98/28/984269828.db2.gz	RXHPEMAQQUYIFK-NWDGAFQWSA-N	-1	0	309.370	0.813	20	30		DCEDRM
C=CCN(C(=O)C(=O)NCc1ncc(C(=O)[O-])s1)C(C)C	ZINC001588819780	984278484	/nfs/dbraw/zinc/27/84/84/984278484.db2.gz	BOSKBRMXLGDUEC-UHFFFAOYSA-N	-1	0	311.363	0.881	20	30		DCEDRM
C=CCCn1cc(CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)nn1	ZINC001588820100	984281249	/nfs/dbraw/zinc/28/12/49/984281249.db2.gz	QHLNINYDRBRBTR-GFCCVEGCSA-N	-1	0	317.353	0.591	20	30		DCEDRM
C=CCN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)[C@H](C)COC	ZINC001588820759	984286206	/nfs/dbraw/zinc/28/62/06/984286206.db2.gz	QRLCUDFFZRCGDQ-VXGBXAGGSA-N	-1	0	312.366	0.359	20	30		DCEDRM
C=CCNC(=O)CNC(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC001588844054	984355125	/nfs/dbraw/zinc/35/51/25/984355125.db2.gz	AKOMTWWRDWTYKE-UHFFFAOYSA-N	-1	0	321.333	0.955	20	30		DCEDRM
C=CCOC[C@H](NC(=O)COc1c(C)occc1=O)C(=O)[O-]	ZINC001588853916	984387259	/nfs/dbraw/zinc/38/72/59/984387259.db2.gz	LKHJUTLVXQFDEC-JTQLQIEISA-N	-1	0	311.290	0.099	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCc2nncn2CC1)C(=O)[O-]	ZINC001588855983	984395684	/nfs/dbraw/zinc/39/56/84/984395684.db2.gz	SYZPQOHKTZBEIR-MNOVXSKESA-N	-1	0	308.338	0.003	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12)C(=O)[O-]	ZINC001588855939	984395993	/nfs/dbraw/zinc/39/59/93/984395993.db2.gz	RSJTULJOCUEAOW-RNJOBUHISA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CS(=O)(=O)C1CCCC1)C(=O)[O-]	ZINC001588857174	984402994	/nfs/dbraw/zinc/40/29/94/984402994.db2.gz	VMSWCIPOROGFLG-NSHDSACASA-N	-1	0	319.379	0.116	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnn(CCC#N)c1C)C(=O)[O-]	ZINC001588860404	984412712	/nfs/dbraw/zinc/41/27/12/984412712.db2.gz	UHOGWLUMDLQLGZ-LBPRGKRZSA-N	-1	0	306.322	0.491	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC001588860514	984413814	/nfs/dbraw/zinc/41/38/14/984413814.db2.gz	WSMWGCDGBUDBGT-VIFPVBQESA-N	-1	0	306.278	0.049	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccccc1N)C(=O)[O-]	ZINC001588866807	984427728	/nfs/dbraw/zinc/42/77/28/984427728.db2.gz	QQMQZWTWWBQJGL-SNVBAGLBSA-N	-1	0	300.336	0.203	20	30		DCEDRM
C=CCn1c(-c2cc[nH]n2)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588890246	984484676	/nfs/dbraw/zinc/48/46/76/984484676.db2.gz	UVNYXOVVVDEILT-ONGXEEELSA-N	-1	0	318.337	0.533	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)NC(=O)CO2	ZINC001524677650	1015039061	/nfs/dbraw/zinc/03/90/61/1015039061.db2.gz	LGNOFNBDOWDGET-SNVBAGLBSA-N	-1	0	317.301	0.103	20	30		DCEDRM
C=CCn1c([C@@H](O)COC)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588897184	984508119	/nfs/dbraw/zinc/50/81/19/984508119.db2.gz	XRPKIIRRWLKOPR-MXWKQRLJSA-N	-1	0	310.354	0.301	20	30		DCEDRM
C=CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588898234	984517076	/nfs/dbraw/zinc/51/70/76/984517076.db2.gz	UIMFYNZUVRRLBB-GHMZBOCLSA-N	-1	0	308.338	0.258	20	30		DCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588900151	984520136	/nfs/dbraw/zinc/52/01/36/984520136.db2.gz	BQQWSXYYVZTASL-HZMBPMFUSA-N	-1	0	310.354	0.067	20	30		DCEDRM
C=CCn1cc(C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])nn1	ZINC001588909989	984546596	/nfs/dbraw/zinc/54/65/96/984546596.db2.gz	FCTOLAFMAZWYAC-LBPRGKRZSA-N	-1	0	315.333	0.532	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)nn1	ZINC001588910115	984548021	/nfs/dbraw/zinc/54/80/21/984548021.db2.gz	LOTOACQVARRHGB-LBPRGKRZSA-N	-1	0	302.290	0.725	20	30		DCEDRM
C=CCn1cc(C(=O)N2CCc3[nH]nc(C(=O)[O-])c3C2)nn1	ZINC001588910321	984548361	/nfs/dbraw/zinc/54/83/61/984548361.db2.gz	QMYNIBMNRAWDCP-UHFFFAOYSA-N	-1	0	302.294	0.084	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588914489	984558838	/nfs/dbraw/zinc/55/88/38/984558838.db2.gz	YINIADHTWYMDRU-NEPJUHHUSA-N	-1	0	306.318	0.396	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC001588916759	984563505	/nfs/dbraw/zinc/56/35/05/984563505.db2.gz	CVWMKJOEDQQAIB-QCNOEVLYSA-N	-1	0	311.334	0.442	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC001588924720	984582766	/nfs/dbraw/zinc/58/27/66/984582766.db2.gz	CARZEIOEQTYFFN-VIFPVBQESA-N	-1	0	315.322	0.577	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588926476	984594573	/nfs/dbraw/zinc/59/45/73/984594573.db2.gz	ZOVZYDMBVMCBLT-JTQLQIEISA-N	-1	0	308.338	0.599	20	30		DCEDRM
CC#CCCCC(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588927412	984598553	/nfs/dbraw/zinc/59/85/53/984598553.db2.gz	WZHGBUIXJMTJNQ-CHWSQXEVSA-N	-1	0	308.378	0.865	20	30		DCEDRM
CCOC(=O)N1CCC[C@H](C(=O)N(CC#N)CCC(=O)[O-])C1	ZINC001596649843	984667781	/nfs/dbraw/zinc/66/77/81/984667781.db2.gz	FGNANSMIVFWTIA-NSHDSACASA-N	-1	0	311.338	0.682	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@@H]1CN(C)c1ncc(C(=O)[O-])cn1	ZINC001589328667	986158752	/nfs/dbraw/zinc/15/87/52/986158752.db2.gz	FZWZSQNOCRSFOM-ZYHUDNBSSA-N	-1	0	317.349	0.762	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ncc(C(=O)[O-])s1	ZINC001589330366	986171438	/nfs/dbraw/zinc/17/14/38/986171438.db2.gz	BOKYLYBMKFENJY-ZETCQYMHSA-N	-1	0	318.380	0.267	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001589330611	986175954	/nfs/dbraw/zinc/17/59/54/986175954.db2.gz	KZNKSRDNDBKCRC-NXEZZACHSA-N	-1	0	321.424	0.072	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001589330983	986181779	/nfs/dbraw/zinc/18/17/79/986181779.db2.gz	XUZWWMMDPRMGAR-KQSJRHEJSA-N	-1	0	315.395	0.412	20	30		DCEDRM
C[C@H](C#N)N(CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O)C1CC1	ZINC001589331602	986188727	/nfs/dbraw/zinc/18/87/27/986188727.db2.gz	JMEMMWFZQOGGNL-YMTOWFKASA-N	-1	0	308.338	0.496	20	30		DCEDRM
C[C@@H](C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)n1cnc(C#N)n1	ZINC001589364992	986388102	/nfs/dbraw/zinc/38/81/02/986388102.db2.gz	MYLMEAAVGLARLV-RBZYPMLTSA-N	-1	0	303.322	0.567	20	30		DCEDRM
C[C@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)n1cnc(C#N)n1	ZINC001589369056	986408226	/nfs/dbraw/zinc/40/82/26/986408226.db2.gz	JUNPCIZNKQAMCE-SECBINFHSA-N	-1	0	311.301	0.951	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001589557415	987305578	/nfs/dbraw/zinc/30/55/78/987305578.db2.gz	CNZPXFRSRDHION-NXEZZACHSA-N	-1	0	304.368	0.193	20	30		DCEDRM
C[C@@H](O)[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001599844194	988904808	/nfs/dbraw/zinc/90/48/08/988904808.db2.gz	QZRNRCXOKZOTHG-YACGNSKGSA-N	-1	0	314.338	0.198	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@@H](C(=O)[O-])O1	ZINC001599867805	989299884	/nfs/dbraw/zinc/29/98/84/989299884.db2.gz	SWNFWUHNQDRJMA-MNOVXSKESA-N	-1	0	316.379	0.574	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001590615387	990289964	/nfs/dbraw/zinc/28/99/64/990289964.db2.gz	UVXVPDFSXQADAU-OAHLLOKOSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CC(C)(CCC#N)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001590656082	990351593	/nfs/dbraw/zinc/35/15/93/990351593.db2.gz	HBXQPPKYPIBONB-UHFFFAOYSA-N	-1	0	300.340	0.716	20	30		DCEDRM
CC(C)(NS(=O)(=O)c1ccsc1C#N)[C@H](O)C(=O)[O-]	ZINC001590880709	990797745	/nfs/dbraw/zinc/79/77/45/990797745.db2.gz	FXWMZMUYIYCPAZ-MRVPVSSYSA-N	-1	0	304.349	0.122	20	30		DCEDRM
CC(C)C#CC(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001590927156	990931765	/nfs/dbraw/zinc/93/17/65/990931765.db2.gz	TXIJCNYIICJACZ-OLZOCXBDSA-N	-1	0	306.362	0.427	20	30		DCEDRM
CC(C)CN(CCC#N)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001591322180	992292089	/nfs/dbraw/zinc/29/20/89/992292089.db2.gz	RPCMPTMTISGORB-GFCCVEGCSA-N	-1	0	309.366	0.708	20	30		DCEDRM
CN1C[C@@H](C(=O)[O-])N(CCOc2ccccc2C#N)CC1=O	ZINC001598564162	993123045	/nfs/dbraw/zinc/12/30/45/993123045.db2.gz	QWRGKUBOEOOCPS-LBPRGKRZSA-N	-1	0	303.318	0.164	20	30		DCEDRM
CN1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001598587237	993403063	/nfs/dbraw/zinc/40/30/63/993403063.db2.gz	FXFKDQLITFXJIU-JTQLQIEISA-N	-1	0	309.347	0.239	20	30		DCEDRM
C#CCCCCC(=O)N[C@H]1CN(C(=O)CNC(=O)[O-])CC1(C)C	ZINC001573303614	1163412017	/nfs/dbraw/zinc/41/20/17/1163412017.db2.gz	QFXMQLWQDXDPQM-LBPRGKRZSA-N	-1	0	323.393	0.801	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001395433813	994654552	/nfs/dbraw/zinc/65/45/52/994654552.db2.gz	SGINRXAYPFITOC-HGNGGELXSA-N	-1	0	305.338	0.208	20	30		DCEDRM
Cc1ccc(CCNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001464133075	1015884231	/nfs/dbraw/zinc/88/42/31/1015884231.db2.gz	AZTJZYGYPSBQBL-UHFFFAOYSA-N	-1	0	302.290	0.081	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1ncc[n-]1)C(=O)OCC	ZINC001464257486	1015895415	/nfs/dbraw/zinc/89/54/15/1015895415.db2.gz	NDLIASPKZFJMKR-MRVPVSSYSA-N	-1	0	307.759	0.762	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCCN(C=O)CC2)cc1C#N	ZINC001464372116	1015903613	/nfs/dbraw/zinc/90/36/13/1015903613.db2.gz	RTRQJDXOVGBEDT-UHFFFAOYSA-N	-1	0	320.374	0.685	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)/C=C/c1ccccc1C#N	ZINC001598692170	995082441	/nfs/dbraw/zinc/08/24/41/995082441.db2.gz	BAGJVDWHXUJWSU-NNNHXZLVSA-N	-1	0	302.286	0.704	20	30		DCEDRM
C[C@H](OC(=O)c1cc(C#N)ccn1)c1cn(CC(=O)[O-])nn1	ZINC001593554997	995637967	/nfs/dbraw/zinc/63/79/67/995637967.db2.gz	XIULSPSSWQJWIR-QMMMGPOBSA-N	-1	0	301.262	0.547	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)o1	ZINC001598750607	995648659	/nfs/dbraw/zinc/64/86/59/995648659.db2.gz	KKBRSBSBHQLHRN-WCBMZHEXSA-N	-1	0	306.274	0.630	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](O)CN(Cc2cccc(C(=O)[O-])c2C#N)C1	ZINC001598759871	995764681	/nfs/dbraw/zinc/76/46/81/995764681.db2.gz	YFTMPTZZLCXQRW-NWDGAFQWSA-N	-1	0	318.329	0.612	20	30		DCEDRM
CO[C@H]1C[C@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1(C)C	ZINC001465639054	1016014494	/nfs/dbraw/zinc/01/44/94/1016014494.db2.gz	IRGJPJTXGPLHMR-QWRGUYRKSA-N	-1	0	320.349	0.140	20	30		DCEDRM
C[C@H](c1ncc(C(=O)[O-])s1)N1CCN(C(=O)CC#N)CC1	ZINC001593737238	996333580	/nfs/dbraw/zinc/33/35/80/996333580.db2.gz	LIHWWOCNBZPDIV-SECBINFHSA-N	-1	0	308.363	0.960	20	30		DCEDRM
C[C@@]1(C#N)CN(C(=O)c2ccc(OCC(=O)[O-])cc2)CCO1	ZINC001593743520	996369027	/nfs/dbraw/zinc/36/90/27/996369027.db2.gz	RQOYINDJQUPIOE-OAHLLOKOSA-N	-1	0	304.302	0.905	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC001598827941	996404221	/nfs/dbraw/zinc/40/42/21/996404221.db2.gz	OREHUFUOTHEGDI-VHSXEESVSA-N	-1	0	319.273	0.776	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCCN1CC(=O)NC1(C#N)CCC1	ZINC001599188567	997076869	/nfs/dbraw/zinc/07/68/69/997076869.db2.gz	QHFQNCRDSHHCON-OAHLLOKOSA-N	-1	0	309.366	0.505	20	30		DCEDRM
COc1ccc(C(N)=NO[C@@H]2CCN(CCC(=O)[O-])C2=O)cc1	ZINC001599521608	997491601	/nfs/dbraw/zinc/49/16/01/997491601.db2.gz	XLRQOAKFIVFULF-GFCCVEGCSA-N	-1	0	321.333	0.408	20	30		DCEDRM
CCOC(=O)N1CC[C@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001467266711	1016150320	/nfs/dbraw/zinc/15/03/20/1016150320.db2.gz	RLIVOYGTGNZWRV-NSHDSACASA-N	-1	0	318.333	0.928	20	30		DCEDRM
COC(=O)c1cc(NC(=O)CN(C)CC#N)cc(C(=O)[O-])c1	ZINC001598939611	997941431	/nfs/dbraw/zinc/94/14/31/997941431.db2.gz	BGHBBBNZXWMEQE-UHFFFAOYSA-N	-1	0	305.290	0.565	20	30		DCEDRM
COc1cc(OC)cc([C@H](C(=O)[O-])N2CC(O)(CC#N)C2)c1	ZINC001599451243	998105880	/nfs/dbraw/zinc/10/58/80/998105880.db2.gz	YGCOBAJYXPOEOD-CYBMUJFWSA-N	-1	0	306.318	0.790	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N(C)CC#N)c1	ZINC001598963360	998373208	/nfs/dbraw/zinc/37/32/08/998373208.db2.gz	WHJJPIAVWYYUAV-UHFFFAOYSA-N	-1	0	312.303	0.315	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC001594141295	998442610	/nfs/dbraw/zinc/44/26/10/998442610.db2.gz	JHPVPETWUQIAFS-BXKDBHETSA-N	-1	0	301.302	0.818	20	30		DCEDRM
C[C@@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C[C@H](C)N1CC#N	ZINC001594470931	999703040	/nfs/dbraw/zinc/70/30/40/999703040.db2.gz	PWLPTJHIABCRRC-PHIMTYICSA-N	-1	0	305.338	0.026	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CCCN2c2ncccn2)[n-]c1C#N	ZINC001469565412	1016345867	/nfs/dbraw/zinc/34/58/67/1016345867.db2.gz	CWKBNCCYPYIWNU-LLVKDONJSA-N	-1	0	308.305	0.551	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2C[C@H]2C(F)(F)F)c(=O)[n-]c1=O	ZINC001418535865	1000324058	/nfs/dbraw/zinc/32/40/58/1000324058.db2.gz	DOWIBMYYLVXXMU-HTQZYQBOSA-N	-1	0	316.239	0.135	20	30		DCEDRM
COC[C@]1(C)CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CCO1	ZINC001418805808	1000533500	/nfs/dbraw/zinc/53/35/00/1000533500.db2.gz	GSAQHVQNCSSBCL-HNNXBMFYSA-N	-1	0	305.334	0.845	20	30		DCEDRM
CCN(C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1)[C@@H](C)C#N	ZINC001470471858	1016438362	/nfs/dbraw/zinc/43/83/62/1016438362.db2.gz	CVENQMKBYVLCSC-NSHDSACASA-N	-1	0	314.349	0.947	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC[C@@H]2CCSC2)c(=O)[n-]c1=O	ZINC001471168237	1016542583	/nfs/dbraw/zinc/54/25/83/1016542583.db2.gz	QPCMADJUAPPZHE-SNVBAGLBSA-N	-1	0	322.390	0.470	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3ccsc3)C2)c(=O)[n-]c1=O	ZINC001472370958	1016791486	/nfs/dbraw/zinc/79/14/86/1016791486.db2.gz	MTNBTHZPZKJOSX-UHFFFAOYSA-N	-1	0	302.315	0.579	20	30		DCEDRM
N#Cc1cn(C2CN(c3ncccc3[N+](=O)[O-])C2)c(=O)[n-]c1=O	ZINC001472833665	1016857658	/nfs/dbraw/zinc/85/76/58/1016857658.db2.gz	VZPSPJTVVRGKIQ-UHFFFAOYSA-N	-1	0	314.261	0.185	20	30		DCEDRM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2cnc(C#N)c(C#N)n2)C1	ZINC001472859561	1016861678	/nfs/dbraw/zinc/86/16/78/1016861678.db2.gz	KHGAPRNPPYAIKW-LBPRGKRZSA-N	-1	0	324.266	0.867	20	30		DCEDRM
Cn1cc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)c2cccnc21	ZINC001472856597	1016864279	/nfs/dbraw/zinc/86/42/79/1016864279.db2.gz	DCWGUTHYIMHGAA-UHFFFAOYSA-N	-1	0	324.344	0.487	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NC2CC3(CCC3)C2)c(=O)[n-]c1=O	ZINC001414690374	1005384426	/nfs/dbraw/zinc/38/44/26/1005384426.db2.gz	RXFZBLHJQBREFH-UHFFFAOYSA-N	-1	0	317.349	0.452	20	30		DCEDRM
CCOc1ncccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417608873	1005850847	/nfs/dbraw/zinc/85/08/47/1005850847.db2.gz	NCEKPKGBJJBYBP-UHFFFAOYSA-N	-1	0	315.289	0.253	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCc2nncn2C)cc1C#N	ZINC001417640042	1005857954	/nfs/dbraw/zinc/85/79/54/1005857954.db2.gz	XZFWYEYRTLUHBV-UHFFFAOYSA-N	-1	0	318.362	0.482	20	30		DCEDRM
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417655239	1005861492	/nfs/dbraw/zinc/86/14/92/1005861492.db2.gz	OTLKLOOMFCURFZ-SUMWQHHRSA-N	-1	0	324.340	0.667	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](O)C1CCOCC1	ZINC001417667759	1005864097	/nfs/dbraw/zinc/86/40/97/1005864097.db2.gz	KAOBLWOZOPJPQH-LBPRGKRZSA-N	-1	0	305.334	0.485	20	30		DCEDRM
CC(C)n1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001417731040	1005877950	/nfs/dbraw/zinc/87/79/50/1005877950.db2.gz	YREBYWGFVOOHQT-UHFFFAOYSA-N	-1	0	302.294	0.237	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2[C@H](CO)CC[C@H]2CO)cc1C#N	ZINC001418214366	1006183651	/nfs/dbraw/zinc/18/36/51/1006183651.db2.gz	SADJSJQXOPDYPK-UWVGGRQHSA-N	-1	0	323.374	0.339	20	30		DCEDRM
C[S@](=O)C1(C(=O)[O-])CCN(Cc2nc(C#N)cs2)CC1	ZINC001574097903	1163635104	/nfs/dbraw/zinc/63/51/04/1163635104.db2.gz	UYVABDBEGVGQKW-FQEVSTJZSA-N	-1	0	313.404	0.812	20	30		DCEDRM
C[S@](=O)C1(C(=O)[O-])CCN(C(=O)c2coc(C#N)c2)CC1	ZINC001574097491	1163635183	/nfs/dbraw/zinc/63/51/83/1163635183.db2.gz	NPLYQBQDAGMUJT-NRFANRHFSA-N	-1	0	310.331	0.589	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1	ZINC001418368844	1006435153	/nfs/dbraw/zinc/43/51/53/1006435153.db2.gz	YFBCKZPCICFYED-MWLCHTKSSA-N	-1	0	323.374	0.663	20	30		DCEDRM
CCOC1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001452836104	1007105710	/nfs/dbraw/zinc/10/57/10/1007105710.db2.gz	RUPZATSBCDGTHS-UHFFFAOYSA-N	-1	0	320.349	0.238	20	30		DCEDRM
CCCCCCOCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001453842900	1008756013	/nfs/dbraw/zinc/75/60/13/1008756013.db2.gz	NCIDYXCZDZXHCU-UHFFFAOYSA-N	-1	0	322.365	0.534	20	30		DCEDRM
N#Cc1ccccc1C(F)(F)C(=O)[N-]n1ccc(=O)[nH]c1=O	ZINC001454276624	1009036314	/nfs/dbraw/zinc/03/63/14/1009036314.db2.gz	BMVDGPCOTLVXOH-UHFFFAOYSA-N	-1	0	306.228	0.683	20	30		DCEDRM
N#C[C@H]1CSCCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001433862651	1009273312	/nfs/dbraw/zinc/27/33/12/1009273312.db2.gz	UXYQKEFMDPEOJW-NSHDSACASA-N	-1	0	315.362	0.156	20	30		DCEDRM
CCO[C@@H]1COCC[C@@H]1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001433898951	1009325147	/nfs/dbraw/zinc/32/51/47/1009325147.db2.gz	UXDKVOSUCVPMPA-NWDGAFQWSA-N	-1	0	305.334	0.891	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](C)C[C@@H]1C(N)=O	ZINC001433927512	1009361719	/nfs/dbraw/zinc/36/17/19/1009361719.db2.gz	RINXBAPVIDQVGA-GZMMTYOYSA-N	-1	0	302.334	0.693	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC(c3nnn[n-]3)CC2)c1C#N	ZINC001434301595	1009738989	/nfs/dbraw/zinc/73/89/89/1009738989.db2.gz	OGUXONWNBULQJJ-UHFFFAOYSA-N	-1	0	301.310	0.317	20	30		DCEDRM
CN(Cc1cc(F)cc(F)c1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001434444232	1009961426	/nfs/dbraw/zinc/96/14/26/1009961426.db2.gz	NDSDFULUBRVDSH-UHFFFAOYSA-N	-1	0	306.272	0.860	20	30		DCEDRM
C[C@@H](c1ccccc1)[C@@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001434446255	1009965027	/nfs/dbraw/zinc/96/50/27/1009965027.db2.gz	HSOCQWLGEHBTFD-GWCFXTLKSA-N	-1	0	314.345	0.522	20	30		DCEDRM
COCC1(O)CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC1	ZINC001434465790	1009984171	/nfs/dbraw/zinc/98/41/71/1009984171.db2.gz	OXXPXCFPDBJDPR-UHFFFAOYSA-N	-1	0	317.349	0.280	20	30		DCEDRM
CCc1cc(=O)n2nc(NC(=O)c3ccc(C#N)c(C)n3)[n-]c2n1	ZINC001534148529	1011549519	/nfs/dbraw/zinc/54/95/19/1011549519.db2.gz	LGPGOFBUQBQQIZ-UHFFFAOYSA-N	-1	0	323.316	0.807	20	30		DCEDRM
COC(=O)Cc1cccc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001458168758	1012098377	/nfs/dbraw/zinc/09/83/77/1012098377.db2.gz	LYUZGGNSSDMXKS-UHFFFAOYSA-N	-1	0	315.285	0.453	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cccc3c[nH]nc32)c(=O)[n-]c1=O	ZINC001557600520	1012284874	/nfs/dbraw/zinc/28/48/74/1012284874.db2.gz	LYSYPPCWZJCIFX-UHFFFAOYSA-N	-1	0	324.300	0.127	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2nc3ccccc3[nH]2)c(=O)[n-]c1=O	ZINC001540523472	1012454678	/nfs/dbraw/zinc/45/46/78/1012454678.db2.gz	KULMMRZAJDUTTO-UHFFFAOYSA-N	-1	0	324.300	0.726	20	30		DCEDRM
C=CCCC[C@@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001564430769	1012520980	/nfs/dbraw/zinc/52/09/80/1012520980.db2.gz	UDUNEFUQJSHQTH-LLVKDONJSA-N	-1	0	319.365	0.865	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@@H](C)CC#N	ZINC001515804871	1017133700	/nfs/dbraw/zinc/13/37/00/1017133700.db2.gz	RRRBVIHFZLZBBE-JTQLQIEISA-N	-1	0	301.354	0.817	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC[C@@H]2CC2(Cl)Cl)c(C#N)c1=O	ZINC001515908060	1017134439	/nfs/dbraw/zinc/13/44/39/1017134439.db2.gz	JPXRFFWMFHBLIL-ZCFIWIBFSA-N	-1	0	303.149	0.941	20	30		DCEDRM
CO[C@@H]1COCC[C@H]1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC001517369458	1017167259	/nfs/dbraw/zinc/16/72/59/1017167259.db2.gz	KYXWRBUWUKQOOO-DMDPSCGWSA-N	-1	0	305.334	0.753	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(C2CCOCC2)nn1C)C(=O)[O-]	ZINC001517362776	1017168924	/nfs/dbraw/zinc/16/89/24/1017168924.db2.gz	BMUORURCJUAQNG-NSHDSACASA-N	-1	0	305.334	0.520	20	30		DCEDRM
C[C@@H](NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccc[nH]1	ZINC001478366946	1017345226	/nfs/dbraw/zinc/34/52/26/1017345226.db2.gz	VMFXPSRTWLFSLI-SECBINFHSA-N	-1	0	316.321	0.209	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001500416760	1018444794	/nfs/dbraw/zinc/44/47/94/1018444794.db2.gz	YXBFDWKYCCDAKQ-JTQLQIEISA-N	-1	0	306.370	0.388	20	30		DCEDRM
COc1cc(C(=O)[O-])sc1S(=O)(=O)N(C)[C@@H](C)C#N	ZINC001607142315	1170410383	/nfs/dbraw/zinc/41/03/83/1170410383.db2.gz	CTHIRILADCOKAK-LURJTMIESA-N	-1	0	304.349	0.987	20	30		DCEDRM
CS(=O)(=O)c1cc(C(=O)N(CC#N)CC(=O)[O-])cs1	ZINC001607376867	1170440627	/nfs/dbraw/zinc/44/06/27/1170440627.db2.gz	HYYSMTBXEFCWJF-UHFFFAOYSA-N	-1	0	302.333	0.202	20	30		DCEDRM
Cn1cc(C=NNC(=S)NC[C@H]2CCCO2)cc1C(=O)[O-]	ZINC001608107797	1170574921	/nfs/dbraw/zinc/57/49/21/1170574921.db2.gz	XINJMNBLEDIYGR-SNVBAGLBSA-N	-1	0	310.379	0.700	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC001609090077	1170805401	/nfs/dbraw/zinc/80/54/01/1170805401.db2.gz	ZAGGJKLLKHRALZ-LLVKDONJSA-N	-1	0	312.303	0.491	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2)C[C@H]1C(=O)[O-]	ZINC000420527218	240041051	/nfs/dbraw/zinc/04/10/51/240041051.db2.gz	ILMOHBQJRAQWPD-ZWNOBZJWSA-N	-1	0	315.329	0.354	20	30		DCEDRM
N#Cc1cccc(/C=C\C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1	ZINC000491828149	241137675	/nfs/dbraw/zinc/13/76/75/241137675.db2.gz	NFUQAYZXJYVCNH-ZFDPJTLLSA-N	-1	0	306.343	0.806	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CCN(C(=O)c3ccccc3)C2)c1=O	ZINC000568392755	291426570	/nfs/dbraw/zinc/42/65/70/291426570.db2.gz	BGRDXZTXTGNODG-GFCCVEGCSA-N	-1	0	324.340	0.571	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCSCC(=O)[O-])cc1	ZINC000274995337	212064415	/nfs/dbraw/zinc/06/44/15/212064415.db2.gz	LCGVOVKGDAKMJY-UHFFFAOYSA-N	-1	0	300.361	0.654	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)NCC1(C(=O)[O-])CC1	ZINC000263490180	203473411	/nfs/dbraw/zinc/47/34/11/203473411.db2.gz	WMSBZBBUEDKTDB-UHFFFAOYSA-N	-1	0	304.302	0.927	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000274985710	212059018	/nfs/dbraw/zinc/05/90/18/212059018.db2.gz	KDIQOCTYHAGIDY-NSHDSACASA-N	-1	0	310.331	0.659	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(N3CCCC3)nn2)[n-]c1C#N	ZINC000340754219	253299120	/nfs/dbraw/zinc/29/91/20/253299120.db2.gz	MBJBZCTZPFZRKU-UHFFFAOYSA-N	-1	0	308.305	0.796	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2ccnc3ncnn32)c1	ZINC000347333866	254148811	/nfs/dbraw/zinc/14/88/11/254148811.db2.gz	QUOGEWWDQFZVAE-UHFFFAOYSA-N	-1	0	300.303	0.797	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000491372689	533225082	/nfs/dbraw/zinc/22/50/82/533225082.db2.gz	KNHXBHQNVULEIS-SNVBAGLBSA-N	-1	0	310.375	0.736	20	30		DCEDRM
C[C@](CO)(CNS(=O)(=O)c1cccc(C#N)c1)CC(=O)[O-]	ZINC000275676832	130362496	/nfs/dbraw/zinc/36/24/96/130362496.db2.gz	QGAOTTNEYYLPRY-CYBMUJFWSA-N	-1	0	312.347	0.310	20	30		DCEDRM
CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)nc1	ZINC000284721313	131106572	/nfs/dbraw/zinc/10/65/72/131106572.db2.gz	YGTPVEONESKQHJ-NSHDSACASA-N	-1	0	309.347	0.970	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)c(C(N)=O)c1	ZINC000092463790	395731375	/nfs/dbraw/zinc/73/13/75/395731375.db2.gz	YHBANOOCTNTCLD-UHFFFAOYSA-N	-1	0	312.347	0.355	20	30		DCEDRM
CN(C)C(=O)N1CCC(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC000052557038	395866018	/nfs/dbraw/zinc/86/60/18/395866018.db2.gz	FNDMCFXTWDKADS-UHFFFAOYSA-N	-1	0	315.337	0.485	20	30		DCEDRM
CCc1ccc(S(=O)(=O)N2CCOC[C@H]2C#N)cc1C(=O)[O-]	ZINC000273846994	395937787	/nfs/dbraw/zinc/93/77/87/395937787.db2.gz	XTFPCSBTSJDGMQ-LLVKDONJSA-N	-1	0	324.358	0.860	20	30		DCEDRM
COC[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000158587859	396065103	/nfs/dbraw/zinc/06/51/03/396065103.db2.gz	TYJDNYZSYRNBIE-VIFPVBQESA-N	-1	0	318.738	0.590	20	30		DCEDRM
COCC[C@H](NC(=O)COc1ccc(C#N)cc1OC)C(=O)[O-]	ZINC000262302250	396120755	/nfs/dbraw/zinc/12/07/55/396120755.db2.gz	NYNXIFBLPCUOGR-NSHDSACASA-N	-1	0	322.317	0.552	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000263502996	396219043	/nfs/dbraw/zinc/21/90/43/396219043.db2.gz	UMDSQQHNQFUSFM-AWEZNQCLSA-N	-1	0	307.306	0.914	20	30		DCEDRM
N#CCc1ccc(CS(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000594689872	396497601	/nfs/dbraw/zinc/49/76/01/396497601.db2.gz	GYRATNFZIWAKGQ-CQSZACIVSA-N	-1	0	324.358	0.416	20	30		DCEDRM
CN(CC(=O)NCc1cccc(C#N)c1)Cc1n[n-]c(=O)o1	ZINC000595546833	396628735	/nfs/dbraw/zinc/62/87/35/396628735.db2.gz	IRIPXZGJJIHLMF-UHFFFAOYSA-N	-1	0	301.306	0.395	20	30		DCEDRM
CCc1nnc(NCCCc2nc(=O)[n-][nH]2)c(C#N)c1CC	ZINC000301628145	396717327	/nfs/dbraw/zinc/71/73/27/396717327.db2.gz	RHYHYAMPFFQDBF-UHFFFAOYSA-N	-1	0	301.354	0.929	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C	ZINC000313408520	396769864	/nfs/dbraw/zinc/76/98/64/396769864.db2.gz	UOVUAWGEPLBGQU-UHFFFAOYSA-N	-1	0	310.306	0.980	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c1cccc(C#N)c1	ZINC000591459146	396924018	/nfs/dbraw/zinc/92/40/18/396924018.db2.gz	NOCVVGUREGPRMK-WDEREUQCSA-N	-1	0	317.345	0.915	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000591564185	396929138	/nfs/dbraw/zinc/92/91/38/396929138.db2.gz	HZJGGHHJRUQYLO-LBPRGKRZSA-N	-1	0	317.301	0.117	20	30		DCEDRM
CC[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1OC)C(=O)[O-]	ZINC000592425151	397172939	/nfs/dbraw/zinc/17/29/39/397172939.db2.gz	YIYLPSUMKILLEO-VIFPVBQESA-N	-1	0	305.290	0.485	20	30		DCEDRM
C[C@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC000592457552	397182728	/nfs/dbraw/zinc/18/27/28/397182728.db2.gz	KLUOMSAYIRYSPI-JOYOIKCWSA-N	-1	0	309.347	0.685	20	30		DCEDRM
CC(C)[C@@H](C)N(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC000602080903	397295904	/nfs/dbraw/zinc/29/59/04/397295904.db2.gz	UHNBTUHWOJURIU-SNVBAGLBSA-N	-1	0	304.350	0.856	20	30		DCEDRM
C[C@@H]1CCC[C@H](C)CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602106606	397302207	/nfs/dbraw/zinc/30/22/07/397302207.db2.gz	DNWOLNQWFMKMCX-WDEREUQCSA-N	-1	0	304.350	0.858	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCCSC[C@@H](C)C(=O)[O-]	ZINC000593273745	397347645	/nfs/dbraw/zinc/34/76/45/397347645.db2.gz	NCVRVHDEMNFMKH-VHSXEESVSA-N	-1	0	323.440	0.366	20	30		DCEDRM
N#Cc1cn(CC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)c(=O)[n-]c1=O	ZINC000602158738	397327086	/nfs/dbraw/zinc/32/70/86/397327086.db2.gz	DXJTUMNWRWVQAP-OCCSQVGLSA-N	-1	0	314.345	0.468	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)Cc1cccc(F)c1)C(=O)[O-]	ZINC000578503611	397444071	/nfs/dbraw/zinc/44/40/71/397444071.db2.gz	ANMJLYNLQCYSLZ-GFCCVEGCSA-N	-1	0	317.338	0.901	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C	ZINC000578074288	397387430	/nfs/dbraw/zinc/38/74/30/397387430.db2.gz	OSQXPMKNNFACTJ-UWVGGRQHSA-N	-1	0	305.400	0.944	20	30		DCEDRM
N#CCCCCS(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC000593944957	397485299	/nfs/dbraw/zinc/48/52/99/397485299.db2.gz	BZHXTTMAKFXBRM-GFCCVEGCSA-N	-1	0	311.363	0.691	20	30		DCEDRM
C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCCC1=NNCC(=O)[O-]	ZINC000495722570	397553658	/nfs/dbraw/zinc/55/36/58/397553658.db2.gz	VOEVPZYVSYRFFH-VHSXEESVSA-N	-1	0	315.370	0.966	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccc2c(c1)OCO2	ZINC000493152766	397526250	/nfs/dbraw/zinc/52/62/50/397526250.db2.gz	LBQVPINWHXBGQS-HYXAFXHYSA-N	-1	0	308.315	0.788	20	30		DCEDRM
COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000494416995	397531052	/nfs/dbraw/zinc/53/10/52/397531052.db2.gz	HWTMIWNXZHLKLT-UHFFFAOYSA-N	-1	0	319.383	0.461	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cn1	ZINC000263154568	158858687	/nfs/dbraw/zinc/85/86/87/158858687.db2.gz	MUBMHOKOWSNRGW-IINYFYTJSA-N	-1	0	321.358	0.829	20	30		DCEDRM
N#Cc1cc(NCCNS(=O)(=O)c2cccs2)ccn1	ZINC000342801405	415299775	/nfs/dbraw/zinc/29/97/75/415299775.db2.gz	CYMYZPVBNXDMJO-UHFFFAOYSA-N	-1	0	308.388	0.827	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1	ZINC000342864624	415323376	/nfs/dbraw/zinc/32/33/76/415323376.db2.gz	BQCXPLKUBVLQDW-UHFFFAOYSA-N	-1	0	302.250	0.194	20	30		DCEDRM
C[C@@H]1CCC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)nc1	ZINC000275207982	415372110	/nfs/dbraw/zinc/37/21/10/415372110.db2.gz	ZODZIESSWFKYFN-SKDRFNHKSA-N	-1	0	309.347	0.970	20	30		DCEDRM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccccc2C#N)cn1	ZINC000343136247	415470249	/nfs/dbraw/zinc/47/02/49/415470249.db2.gz	KPDPMPWRQULXIM-UHFFFAOYSA-N	-1	0	320.330	0.729	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000092463839	415539420	/nfs/dbraw/zinc/53/94/20/415539420.db2.gz	XDVOTCUCJSRCBK-UHFFFAOYSA-N	-1	0	315.347	0.965	20	30		DCEDRM
Cc1cc(=NC(=O)NCCCc2[nH]nc(N)c2C#N)[n-]nc1C	ZINC000343573907	415643380	/nfs/dbraw/zinc/64/33/80/415643380.db2.gz	QLFNXXHXDFYFGB-UHFFFAOYSA-N	-1	0	314.353	0.447	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O	ZINC000291214679	415830215	/nfs/dbraw/zinc/83/02/15/415830215.db2.gz	IXAPDVYWDSWVOZ-MRXNPFEDSA-N	-1	0	313.313	0.061	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C#N	ZINC000134706818	415957958	/nfs/dbraw/zinc/95/79/58/415957958.db2.gz	VLEHIEZCUAAXQS-SFYZADRCSA-N	-1	0	315.376	0.900	20	30		DCEDRM
CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000356516137	415937469	/nfs/dbraw/zinc/93/74/69/415937469.db2.gz	IKLJDGFNASKKPY-UHFFFAOYSA-N	-1	0	317.330	0.529	20	30		DCEDRM
C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000298754706	416027575	/nfs/dbraw/zinc/02/75/75/416027575.db2.gz	VFSOBXNECFLAGN-MRVPVSSYSA-N	-1	0	300.322	0.786	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)Nc2ccn(CCC#N)n2)[C@@H](C)CO1	ZINC000340962703	416198942	/nfs/dbraw/zinc/19/89/42/416198942.db2.gz	QHIWKOURVUNSHP-WDEREUQCSA-N	-1	0	313.383	0.563	20	30		DCEDRM
N#Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)nc1	ZINC000346656672	416202306	/nfs/dbraw/zinc/20/23/06/416202306.db2.gz	ZAONWLXNDHEDBJ-UHFFFAOYSA-N	-1	0	317.326	1.525	20	30		DCEDRM
COCCn1[n-]c(C)c(C(=O)Nc2cccc(C#N)c2)c1=O	ZINC000182238263	416215505	/nfs/dbraw/zinc/21/55/05/416215505.db2.gz	YDRVPFMAYWQPMP-ZDUSSCGKSA-N	-1	0	300.318	0.977	20	30		DCEDRM
CN1CN(C([O-])=Nc2cccn(CC(F)(F)F)c2=O)CC1=O	ZINC000329282396	416161558	/nfs/dbraw/zinc/16/15/58/416161558.db2.gz	MVBHKTZNJPOPHB-UHFFFAOYSA-N	-1	0	318.255	0.688	20	30		DCEDRM
COCCOCCS(=O)(=O)[N-]c1cc(C)n(CCC#N)n1	ZINC000348865440	416249033	/nfs/dbraw/zinc/24/90/33/416249033.db2.gz	IGQZWTCKBWFPDG-UHFFFAOYSA-N	-1	0	316.383	0.510	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)cn1	ZINC000228698560	416327879	/nfs/dbraw/zinc/32/78/79/416327879.db2.gz	WBRANTKVRZBOJF-UHFFFAOYSA-N	-1	0	309.347	0.829	20	30		DCEDRM
Cc1cc(C#N)nc(N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)n1	ZINC000416450343	416369716	/nfs/dbraw/zinc/36/97/16/416369716.db2.gz	XNVKIUQLDIADGQ-RYUDHWBXSA-N	-1	0	317.349	0.779	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NC(C)(C)C[C@H](C)C(=O)[O-]	ZINC000583938369	416486579	/nfs/dbraw/zinc/48/65/79/416486579.db2.gz	UUGFXDXXNNFDOB-VHSXEESVSA-N	-1	0	305.400	0.944	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000422620518	416442017	/nfs/dbraw/zinc/44/20/17/416442017.db2.gz	WLSBJBALBAQBJG-UHFFFAOYSA-N	-1	0	320.345	0.961	20	30		DCEDRM
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C(=O)[O-]	ZINC000422647758	416443795	/nfs/dbraw/zinc/44/37/95/416443795.db2.gz	BYNBAKRNTBXNHM-SECBINFHSA-N	-1	0	319.317	0.873	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](C)CCC(=O)[O-]	ZINC000584116718	416501371	/nfs/dbraw/zinc/50/13/71/416501371.db2.gz	IICIIXUHFSLGEI-GHMZBOCLSA-N	-1	0	305.400	0.803	20	30		DCEDRM
COC(=O)c1cnc([N-]S(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000361851203	416510021	/nfs/dbraw/zinc/51/00/21/416510021.db2.gz	VGFPAIHPGRPDGP-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C#CCN(CC#CC)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000490984389	416581768	/nfs/dbraw/zinc/58/17/68/416581768.db2.gz	FFIOVHXBIHPXGM-UHFFFAOYSA-N	-1	0	321.354	0.797	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC(O)(C(F)F)C2)cc1C#N	ZINC000425005875	416677156	/nfs/dbraw/zinc/67/71/56/416677156.db2.gz	BXABHFPWVVHPFK-UHFFFAOYSA-N	-1	0	315.301	0.833	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1sccc1OC)C(=O)[O-]	ZINC000541931062	416618523	/nfs/dbraw/zinc/61/85/23/416618523.db2.gz	NPYIEQXCEOUVBJ-MRVPVSSYSA-N	-1	0	303.361	0.902	20	30		DCEDRM
CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)C(=O)[O-]	ZINC000424437520	416645488	/nfs/dbraw/zinc/64/54/88/416645488.db2.gz	OKXHQHFATYETHU-LLVKDONJSA-N	-1	0	318.333	0.755	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC000566312537	417045744	/nfs/dbraw/zinc/04/57/44/417045744.db2.gz	NUXBRASRCJZPHX-MDZLAQPJSA-N	-1	0	315.395	0.652	20	30		DCEDRM
CC(C)CCC[C@@H](C)NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000569361889	417244866	/nfs/dbraw/zinc/24/48/66/417244866.db2.gz	YEDZNBWBFIJBIW-LLVKDONJSA-N	-1	0	306.366	0.739	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)C(=O)OC	ZINC000451509978	417353637	/nfs/dbraw/zinc/35/36/37/417353637.db2.gz	XOUSTCYIVRBMDG-NSHDSACASA-N	-1	0	316.379	0.344	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC)[C@@H](C)CC(=O)[O-]	ZINC000571331453	417448113	/nfs/dbraw/zinc/44/81/13/417448113.db2.gz	LZKMDYXBYYXMSO-QWRGUYRKSA-N	-1	0	305.400	0.898	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCC[C@@H]1CC(=O)[O-]	ZINC000571407525	417448150	/nfs/dbraw/zinc/44/81/50/417448150.db2.gz	BAKUHTKORSXDFI-QJPTWQEYSA-N	-1	0	317.411	0.946	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000572001666	417454565	/nfs/dbraw/zinc/45/45/65/417454565.db2.gz	OVXNVKYYIXAOHK-UHFFFAOYSA-N	-1	0	319.383	0.032	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC(CC#N)CC2)C1	ZINC000576218985	417589442	/nfs/dbraw/zinc/58/94/42/417589442.db2.gz	JWMZPDAHCHDGRM-WCQYABFASA-N	-1	0	321.377	0.708	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659402826	418091575	/nfs/dbraw/zinc/09/15/75/418091575.db2.gz	HRYUVOOIYMOYNR-RSUWNVLCSA-N	-1	0	324.377	0.710	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1Cc2cc(F)ccc2O1)C(=O)[O-]	ZINC000653658506	418099566	/nfs/dbraw/zinc/09/95/66/418099566.db2.gz	IZVVZCNRQFPAIQ-WCQYABFASA-N	-1	0	309.293	0.901	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(=O)[O-]	ZINC000649250546	418215271	/nfs/dbraw/zinc/21/52/71/418215271.db2.gz	AISKFZFDVPNVNX-RYUDHWBXSA-N	-1	0	310.350	0.159	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000650424831	418309541	/nfs/dbraw/zinc/30/95/41/418309541.db2.gz	NOZXGZUESRLKKB-SNVBAGLBSA-N	-1	0	314.367	0.519	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000655995103	418313884	/nfs/dbraw/zinc/31/38/84/418313884.db2.gz	XLLGRTGVODZWOS-LLVKDONJSA-N	-1	0	300.355	0.168	20	30		DCEDRM
C=CCCOCCCCC(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000650817939	418326166	/nfs/dbraw/zinc/32/61/66/418326166.db2.gz	RWFWPUMLKROFCI-UHFFFAOYSA-N	-1	0	306.366	0.960	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)N1CCC(CC)CC1)C(=O)[O-]	ZINC000656512377	418358866	/nfs/dbraw/zinc/35/88/66/418358866.db2.gz	JTYRAQRJMOIIPN-LBPRGKRZSA-N	-1	0	302.396	0.809	20	30		DCEDRM
CCOC(=O)c1cnccc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000357543030	261553317	/nfs/dbraw/zinc/55/33/17/261553317.db2.gz	ZYHZGOQXJSRAHZ-UHFFFAOYSA-N	-1	0	321.314	0.946	20	30		DCEDRM
C=CCC[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-]	ZINC000262890046	277837190	/nfs/dbraw/zinc/83/71/90/277837190.db2.gz	LKIZNFFKJSWOBW-ZJUUUORDSA-N	-1	0	320.411	0.486	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1	ZINC000548474633	288147040	/nfs/dbraw/zinc/14/70/40/288147040.db2.gz	WJYMMYNZNJTMCG-UHFFFAOYSA-N	-1	0	320.256	0.841	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000550938236	288221145	/nfs/dbraw/zinc/22/11/45/288221145.db2.gz	SWLCVZWPYARTIG-SNVBAGLBSA-N	-1	0	314.294	0.171	20	30		DCEDRM
C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)o1	ZINC000554430153	288320263	/nfs/dbraw/zinc/32/02/63/288320263.db2.gz	GJIDNXFBCRGDOF-POYBYMJQSA-N	-1	0	302.333	0.688	20	30		DCEDRM
Cc1c([C@@H](NS(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])cnn1C	ZINC000554532357	288326668	/nfs/dbraw/zinc/32/66/68/288326668.db2.gz	GSAOPVJKTWFBRM-LLVKDONJSA-N	-1	0	324.318	0.297	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)s1	ZINC000230325408	303199516	/nfs/dbraw/zinc/19/95/16/303199516.db2.gz	GRVSWJKTJQHOPM-SNVBAGLBSA-N	-1	0	302.333	0.142	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](C)CCC(=O)[O-]	ZINC000584116720	331834504	/nfs/dbraw/zinc/83/45/04/331834504.db2.gz	IICIIXUHFSLGEI-QWRGUYRKSA-N	-1	0	305.400	0.803	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1sc(C)nc1C)C(=O)[O-]	ZINC000564927224	332016802	/nfs/dbraw/zinc/01/68/02/332016802.db2.gz	RLTLRSICZXELRN-VIFPVBQESA-N	-1	0	320.392	0.694	20	30		DCEDRM
C=C[C@H](CO)NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O	ZINC000426848867	332158523	/nfs/dbraw/zinc/15/85/23/332158523.db2.gz	AVMUVDWHBHBLLN-SECBINFHSA-N	-1	0	318.782	0.988	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21)C(=O)[O-]	ZINC000583359889	332351707	/nfs/dbraw/zinc/35/17/07/332351707.db2.gz	YTWACUPDMBBJRS-QNWHQSFQSA-N	-1	0	312.366	0.899	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](CC)NC(=O)OC(C)(C)C	ZINC000495889444	333376568	/nfs/dbraw/zinc/37/65/68/333376568.db2.gz	FBJPEUMPTDQYIV-SNVBAGLBSA-N	-1	0	318.395	0.759	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](CC1CCC1)C(=O)[O-]	ZINC000563226046	333488214	/nfs/dbraw/zinc/48/82/14/333488214.db2.gz	LGLVSECARHBVJA-ONGXEEELSA-N	-1	0	303.384	0.698	20	30		DCEDRM
CCOC(=O)Cn1cccc(N=C([O-])N2C[C@H](O)C[C@H]2C)c1=O	ZINC000330983551	334828021	/nfs/dbraw/zinc/82/80/21/334828021.db2.gz	HPXOMESJGCHKCT-GHMZBOCLSA-N	-1	0	323.349	0.412	20	30		DCEDRM
COC(=O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)[C@H](C)O	ZINC000444201278	338469803	/nfs/dbraw/zinc/46/98/03/338469803.db2.gz	YSOTWFYTZKKJMD-WDEREUQCSA-N	-1	0	318.395	0.302	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1COc2ccccc2C1)C(=O)[O-]	ZINC000580390556	336264593	/nfs/dbraw/zinc/26/45/93/336264593.db2.gz	ASHRCQWPRKTAIM-STQMWFEESA-N	-1	0	320.345	0.945	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H]1CCCC[C@@H]1CC(=O)[O-]	ZINC000564051735	337450076	/nfs/dbraw/zinc/45/00/76/337450076.db2.gz	UGTQHMGDUIJCDM-GHMZBOCLSA-N	-1	0	303.384	0.700	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000422643901	337683309	/nfs/dbraw/zinc/68/33/09/337683309.db2.gz	LLRVFOHPYFEMGY-JTQLQIEISA-N	-1	0	306.318	0.767	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H]1CCOC(C)(C)C1)C(=O)[O-]	ZINC000514772776	337970580	/nfs/dbraw/zinc/97/05/80/337970580.db2.gz	JFIAKLPUPXFUQB-GHMZBOCLSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=CCCS(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1OC	ZINC000431203380	338125873	/nfs/dbraw/zinc/12/58/73/338125873.db2.gz	OPUCBLMHAMWSEL-UHFFFAOYSA-N	-1	0	320.392	0.660	20	30		DCEDRM
COCCn1cc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cn1	ZINC000439046473	338359448	/nfs/dbraw/zinc/35/94/48/338359448.db2.gz	XXLQEPGWKUILKZ-UHFFFAOYSA-N	-1	0	324.366	0.440	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)C1CCCC1	ZINC000491405246	339860968	/nfs/dbraw/zinc/86/09/68/339860968.db2.gz	HQWSUORANVYDTR-OLZOCXBDSA-N	-1	0	320.389	0.960	20	30		DCEDRM
Cn1nccc1/C=C/C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000492646812	339906128	/nfs/dbraw/zinc/90/61/28/339906128.db2.gz	NVPJOZZHSGMANK-ONEGZZNKSA-N	-1	0	308.363	0.573	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C	ZINC000496170383	339999735	/nfs/dbraw/zinc/99/97/35/339999735.db2.gz	MVCQEJZWCWOKQL-UHFFFAOYSA-N	-1	0	301.343	0.251	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C	ZINC000496232666	340001164	/nfs/dbraw/zinc/00/11/64/340001164.db2.gz	HOESPWUALOGNRF-SECBINFHSA-N	-1	0	301.343	0.250	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C	ZINC000496253785	340001579	/nfs/dbraw/zinc/00/15/79/340001579.db2.gz	JMARNAAHYIDTKB-VIFPVBQESA-N	-1	0	300.311	0.124	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)OC)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000496439200	340005454	/nfs/dbraw/zinc/00/54/54/340005454.db2.gz	WSDGUQDXAWNDMH-IUCAKERBSA-N	-1	0	305.356	0.117	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000497082012	340019840	/nfs/dbraw/zinc/01/98/40/340019840.db2.gz	WSQYZEQWRYVPHB-NXEZZACHSA-N	-1	0	316.354	0.672	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)N(CCC)CC1CC1)C(=O)[O-]	ZINC000543788387	341058769	/nfs/dbraw/zinc/05/87/69/341058769.db2.gz	RBHSKLKONLTWTP-GFCCVEGCSA-N	-1	0	302.396	0.809	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC000564731653	341507925	/nfs/dbraw/zinc/50/79/25/341507925.db2.gz	NMYMBJYUZCXLTI-OUAUKWLOSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C[C@@](O)(CNS(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)[O-]	ZINC000566241231	341551712	/nfs/dbraw/zinc/55/17/12/341551712.db2.gz	VVRIRDYUFICVSK-CYBMUJFWSA-N	-1	0	312.347	0.008	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1	ZINC000566732710	341566556	/nfs/dbraw/zinc/56/65/56/341566556.db2.gz	BBOBWTFFHFDJDG-SDDRHHMPSA-N	-1	0	307.350	0.508	20	30		DCEDRM
CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000573450049	341728815	/nfs/dbraw/zinc/72/88/15/341728815.db2.gz	XUMZRFLIYQBABP-WDEREUQCSA-N	-1	0	305.400	0.754	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)CC1	ZINC000576403106	341844459	/nfs/dbraw/zinc/84/44/59/341844459.db2.gz	QAQDVUMMFRRZMC-UWVGGRQHSA-N	-1	0	302.352	0.089	20	30		DCEDRM
N#CCN1CCN(C(=O)Nc2nc(CC(=O)[O-])cs2)CC1	ZINC001601074967	1159780040	/nfs/dbraw/zinc/78/00/40/1159780040.db2.gz	YWIYUHNVEJCTEM-UHFFFAOYSA-N	-1	0	309.351	0.443	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1c[nH]nc1C(F)(F)F)C(=O)[O-]	ZINC001602698263	1159785189	/nfs/dbraw/zinc/78/51/89/1159785189.db2.gz	AFYNMGNNDWWVFN-YFKPBYRVSA-N	-1	0	311.241	0.183	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NCc1ncc(C(=O)[O-])s1	ZINC001605438912	1159793389	/nfs/dbraw/zinc/79/33/89/1159793389.db2.gz	VOSMQAPZJKPQKP-UHFFFAOYSA-N	-1	0	318.380	0.411	20	30		DCEDRM
CSC[C@](C)(C#N)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001607392721	1159797824	/nfs/dbraw/zinc/79/78/24/1159797824.db2.gz	JKSAOSPEWBIRRT-NSHDSACASA-N	-1	0	315.376	0.703	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]CC(C)(C)C#N	ZINC000163193236	534369358	/nfs/dbraw/zinc/36/93/58/534369358.db2.gz	FSLWHEQMVPHWRZ-UHFFFAOYSA-N	-1	0	303.365	0.758	20	30		DCEDRM
N#CCCCS(=O)(=O)NCCc1nc(CC(=O)[O-])cs1	ZINC000275290331	534623786	/nfs/dbraw/zinc/62/37/86/534623786.db2.gz	PJPGLLDIZAQJAI-UHFFFAOYSA-N	-1	0	317.392	0.536	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCNC(=O)C(C)(C)C)C(=O)[O-]	ZINC000262874627	526786217	/nfs/dbraw/zinc/78/62/17/526786217.db2.gz	BREMMRCVFCKHTK-SNVBAGLBSA-N	-1	0	300.355	0.311	20	30		DCEDRM
CC(C)(C)c1nc(=NC(=O)C(=O)NCC(C)(C)C#N)s[n-]1	ZINC000357916975	526854656	/nfs/dbraw/zinc/85/46/56/526854656.db2.gz	RSWLOSDPHJDESV-UHFFFAOYSA-N	-1	0	309.395	0.862	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000262788734	526955776	/nfs/dbraw/zinc/95/57/76/526955776.db2.gz	PJXDSZCTSVOMDP-NSHDSACASA-N	-1	0	306.318	0.962	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000263161012	526973821	/nfs/dbraw/zinc/97/38/21/526973821.db2.gz	GCRZAEQEVKSDPV-MNOVXSKESA-N	-1	0	318.395	0.339	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1	ZINC000132771126	526978174	/nfs/dbraw/zinc/97/81/74/526978174.db2.gz	AMLXJPFDAYHEAZ-LLVKDONJSA-N	-1	0	300.380	0.267	20	30		DCEDRM
C=CCC[C@@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-]	ZINC000262987685	527438449	/nfs/dbraw/zinc/43/84/49/527438449.db2.gz	UYRIPEVWWRMJAL-CYBMUJFWSA-N	-1	0	315.333	0.740	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000263247366	528383968	/nfs/dbraw/zinc/38/39/68/528383968.db2.gz	SJOVSGZGSXDGAB-MNOVXSKESA-N	-1	0	303.384	0.509	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C)CC2)C(=O)[O-]	ZINC000681557876	548263382	/nfs/dbraw/zinc/26/33/82/548263382.db2.gz	JPIVPVGBYWEFKT-GFCCVEGCSA-N	-1	0	310.375	0.987	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCOCC(F)(F)F	ZINC000831082755	603593275	/nfs/dbraw/zinc/59/32/75/603593275.db2.gz	QFAMYTCQEAMBEZ-MRVPVSSYSA-N	-1	0	309.244	0.670	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CCCOCC(F)(F)F	ZINC000737705077	598911604	/nfs/dbraw/zinc/91/16/04/598911604.db2.gz	JXPLKSFNZAJAGK-UHFFFAOYSA-N	-1	0	316.247	0.486	20	30		DCEDRM
N#Cc1ccsc1N1CC[C@H](N2CCO[C@@H](C(=O)[O-])C2)C1=O	ZINC000819111128	596924396	/nfs/dbraw/zinc/92/43/96/596924396.db2.gz	MMPLZMZMIZSKRS-WDEREUQCSA-N	-1	0	321.358	0.510	20	30		DCEDRM
CC[C@@H]1CN(C(C)=O)CC[C@H]1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820297093	597604612	/nfs/dbraw/zinc/60/46/12/597604612.db2.gz	LXURPQYWTRHRRB-LALPHHSUSA-N	-1	0	309.366	0.754	20	30		DCEDRM
COc1ccccc1[C@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820876342	597635852	/nfs/dbraw/zinc/63/58/52/597635852.db2.gz	GCCPNOKWUUXDQV-ABAIWWIYSA-N	-1	0	306.318	0.849	20	30		DCEDRM
CC(C)C(=O)N1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819955233	597643442	/nfs/dbraw/zinc/64/34/42/597643442.db2.gz	PHWMOXBECBVRJE-OAHLLOKOSA-N	-1	0	309.366	0.708	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@H](Cn2cccn2)C1	ZINC000819821179	597646763	/nfs/dbraw/zinc/64/67/63/597646763.db2.gz	DBYCKOCKIRPNNT-FZMZJTMJSA-N	-1	0	306.322	0.115	20	30		DCEDRM
Cc1cnn(C[C@@H]2CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO2)c1	ZINC000821147057	597647505	/nfs/dbraw/zinc/64/75/05/597647505.db2.gz	UODPJVSWAQQAMU-WFASDCNBSA-N	-1	0	320.349	0.424	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@]1(O)CCc2ccccc21	ZINC000819835839	597658926	/nfs/dbraw/zinc/65/89/26/597658926.db2.gz	YGKTUYKSOJJIMD-CVEARBPZSA-N	-1	0	302.330	0.941	20	30		DCEDRM
O=C([O-])CCNN=Cc1cnc2cnc(Br)cn12	ZINC000821524297	597741585	/nfs/dbraw/zinc/74/15/85/597741585.db2.gz	BKLCTAKCBIHBSY-UHFFFAOYSA-N	-1	0	312.127	0.890	20	30		DCEDRM
CC(C)(C)C(=O)/C=C1/SCC(=O)N1CC(=O)NCC(=O)[O-]	ZINC000819901575	597759941	/nfs/dbraw/zinc/75/99/41/597759941.db2.gz	KRDSJMKXOBRVHI-NYYWCZLTSA-N	-1	0	314.363	0.219	20	30		DCEDRM
N#Cc1cccc([C@@H]2CN(CC(=O)NCC(=O)[O-])CCO2)c1	ZINC000821340662	597804750	/nfs/dbraw/zinc/80/47/50/597804750.db2.gz	UXHPGHBFXYDRKJ-ZDUSSCGKSA-N	-1	0	303.318	0.132	20	30		DCEDRM
CC(C)N(CC(=O)[O-])C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000766950383	598074182	/nfs/dbraw/zinc/07/41/82/598074182.db2.gz	IROLIVADWWALRK-BUHFOSPRSA-N	-1	0	309.322	0.225	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(C(=O)[O-])c1	ZINC000819720304	598145294	/nfs/dbraw/zinc/14/52/94/598145294.db2.gz	UALCNAHXRDTZID-VIFPVBQESA-N	-1	0	320.301	0.942	20	30		DCEDRM
Cc1ccc(-n2cnnn2)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821058608	598224343	/nfs/dbraw/zinc/22/43/43/598224343.db2.gz	XJQSSUGJTFFDGW-AWEZNQCLSA-N	-1	0	314.305	0.914	20	30		DCEDRM
CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000819955521	598226060	/nfs/dbraw/zinc/22/60/60/598226060.db2.gz	ZYJUGJMJZXODDP-NHYWBVRUSA-N	-1	0	309.366	0.754	20	30		DCEDRM
COc1c(CN=Nc2oc(C)nc2-c2nnn[n-]2)c(C)nn1C	ZINC000737027008	598314444	/nfs/dbraw/zinc/31/44/44/598314444.db2.gz	WSBMLXQAVTVOCM-UHFFFAOYSA-N	-1	0	317.313	0.660	20	30		DCEDRM
C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CC(=O)NCC#N	ZINC000736825317	599927515	/nfs/dbraw/zinc/92/75/15/599927515.db2.gz	RMUCIYIBUKTKJB-LBPRGKRZSA-N	-1	0	316.361	0.535	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CCO1	ZINC000093932508	599981285	/nfs/dbraw/zinc/98/12/85/599981285.db2.gz	GNONYYODEGAGPR-ZETCQYMHSA-N	-1	0	302.333	0.359	20	30		DCEDRM
N#C[C@@H]1CN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CCO1	ZINC000739069452	599992903	/nfs/dbraw/zinc/99/29/03/599992903.db2.gz	QIISRLWUAVDNMF-TZMCWYRMSA-N	-1	0	306.318	0.349	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CCO1	ZINC000739066904	599998196	/nfs/dbraw/zinc/99/81/96/599998196.db2.gz	UUSODHOVRKUTFU-VIFPVBQESA-N	-1	0	321.264	0.213	20	30		DCEDRM
N#Cc1ccc(CNC(=O)COC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC000739118812	600167314	/nfs/dbraw/zinc/16/73/14/600167314.db2.gz	XELRUSNARWQYAH-NEPJUHHUSA-N	-1	0	302.286	0.438	20	30		DCEDRM
N#CCOc1ccc(CC(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1	ZINC000739088216	600179340	/nfs/dbraw/zinc/17/93/40/600179340.db2.gz	PVRIRAMVDBDXNG-UHFFFAOYSA-N	-1	0	315.289	0.515	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1	ZINC000736077354	600371786	/nfs/dbraw/zinc/37/17/86/600371786.db2.gz	RDLRVAPKWBGAJL-UHFFFAOYSA-N	-1	0	303.318	0.874	20	30		DCEDRM
CCN(CC#N)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000737067001	600458327	/nfs/dbraw/zinc/45/83/27/600458327.db2.gz	FJKJDQVRIVOMNB-AWEZNQCLSA-N	-1	0	301.346	0.870	20	30		DCEDRM
CN(C)C(=O)Nc1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000737349667	600549814	/nfs/dbraw/zinc/54/98/14/600549814.db2.gz	GKYFPXQOSQUAPU-UHFFFAOYSA-N	-1	0	304.306	0.830	20	30		DCEDRM
C[C@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCS1(=O)=O	ZINC000736811547	600571979	/nfs/dbraw/zinc/57/19/79/600571979.db2.gz	ZCXIOXNSWQUPOB-GXFFZTMASA-N	-1	0	308.359	0.803	20	30		DCEDRM
C#CCOc1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])cc1	ZINC000825632345	600692527	/nfs/dbraw/zinc/69/25/27/600692527.db2.gz	XYMODXAHQSTUMB-JTQLQIEISA-N	-1	0	305.286	0.445	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000825631605	600898116	/nfs/dbraw/zinc/89/81/16/600898116.db2.gz	GUEOZJZWAKQNRG-SECBINFHSA-N	-1	0	322.292	0.613	20	30		DCEDRM
N#CCCCCS(=O)(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000833066254	600989900	/nfs/dbraw/zinc/98/99/00/600989900.db2.gz	ZDUSZFCZCHMMNG-UHFFFAOYSA-N	-1	0	304.368	0.576	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCCc1c(F)cccc1F	ZINC000833067123	601003288	/nfs/dbraw/zinc/00/32/88/601003288.db2.gz	PQYLTRUMTHGRNW-UHFFFAOYSA-N	-1	0	311.288	0.534	20	30		DCEDRM
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000825813830	601004701	/nfs/dbraw/zinc/00/47/01/601004701.db2.gz	RZWKMYAXOASRQW-CQSZACIVSA-N	-1	0	317.345	0.213	20	30		DCEDRM
N#CCN(CC(=O)[O-])Cc1nc2ccccc2c(=O)n1CC#N	ZINC000833066842	601005566	/nfs/dbraw/zinc/00/55/66/601005566.db2.gz	KIFWXXQSRLWRCN-UHFFFAOYSA-N	-1	0	311.301	0.330	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000833065717	601226296	/nfs/dbraw/zinc/22/62/96/601226296.db2.gz	GPVVXAXHCFERQG-UHFFFAOYSA-N	-1	0	318.289	0.394	20	30		DCEDRM
C[C@H]1CCCC[C@@H]1OCCNC(=O)CN(CC#N)CC(=O)[O-]	ZINC000828252820	601227207	/nfs/dbraw/zinc/22/72/07/601227207.db2.gz	YKKAGVDDUXPCRN-STQMWFEESA-N	-1	0	311.382	0.608	20	30		DCEDRM
Cc1cc2ncn(C[C@@H](O)CN(CC#N)CC(=O)[O-])c2cc1C	ZINC000832906452	601227519	/nfs/dbraw/zinc/22/75/19/601227519.db2.gz	GIWBRXQPUHYOMZ-ZDUSSCGKSA-N	-1	0	316.361	0.924	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(C#N)cc1F	ZINC000830752248	601260258	/nfs/dbraw/zinc/26/02/58/601260258.db2.gz	VQONIJRCNQRXRV-UHFFFAOYSA-N	-1	0	315.326	0.438	20	30		DCEDRM
C#CCN(CC#C)C[C@H](O)COc1ccc(C(=O)[O-])cc1OC	ZINC000825608593	601434556	/nfs/dbraw/zinc/43/45/56/601434556.db2.gz	FFAJNGCCSBMDES-AWEZNQCLSA-N	-1	0	317.341	0.702	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000833069853	601481729	/nfs/dbraw/zinc/48/17/29/601481729.db2.gz	VTJOQAMPKVKFAT-CQSZACIVSA-N	-1	0	323.255	0.661	20	30		DCEDRM
COC[C@@](C)(NC(=O)Cc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC000831613592	601691446	/nfs/dbraw/zinc/69/14/46/601691446.db2.gz	YCAABKGAIOKDKQ-OAHLLOKOSA-N	-1	0	306.318	0.737	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNS(=O)(=O)C[C@H](C)C(=O)[O-])c1	ZINC000825636788	601778002	/nfs/dbraw/zinc/77/80/02/601778002.db2.gz	UCGIZYHCJNRNMI-JTQLQIEISA-N	-1	0	324.358	0.247	20	30		DCEDRM
NS(=O)(=O)c1ccc(NN=Cc2c[nH]c(C(=O)[O-])c2)cc1	ZINC000814680645	601794862	/nfs/dbraw/zinc/79/48/62/601794862.db2.gz	BJAOLWIEFUAWDY-UHFFFAOYSA-N	-1	0	308.319	0.806	20	30		DCEDRM
NS(=O)(=O)c1ccc(N=NCc2c[nH]c(C(=O)[O-])c2)nc1	ZINC000814798436	601797156	/nfs/dbraw/zinc/79/71/56/601797156.db2.gz	JRUNQFZEVXPVEX-UHFFFAOYSA-N	-1	0	309.307	0.201	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000825631800	601859760	/nfs/dbraw/zinc/85/97/60/601859760.db2.gz	MUYJGKFIFQQBGS-UHFFFAOYSA-N	-1	0	324.333	0.945	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)[C@H]2CCNC(=O)C2)C(=O)[O-])cc1	ZINC000833072651	602260515	/nfs/dbraw/zinc/26/05/15/602260515.db2.gz	OQSWPZDQLTXNOO-WCQYABFASA-N	-1	0	302.286	0.753	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1	ZINC000833067490	602318725	/nfs/dbraw/zinc/31/87/25/602318725.db2.gz	VUEPHHXIIIHHTG-UHFFFAOYSA-N	-1	0	321.314	0.127	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H]1CCCN1C(=O)[O-]	ZINC000831118246	603188413	/nfs/dbraw/zinc/18/84/13/603188413.db2.gz	RKRKZRVWIFYJIH-SNVBAGLBSA-N	-1	0	324.362	0.760	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000739130126	603241851	/nfs/dbraw/zinc/24/18/51/603241851.db2.gz	LSCRVMAYFIBFIN-LLVKDONJSA-N	-1	0	309.347	0.979	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1	ZINC000739133805	603316926	/nfs/dbraw/zinc/31/69/26/603316926.db2.gz	PKAXFWQRWODXTP-GFCCVEGCSA-N	-1	0	316.317	0.755	20	30		DCEDRM
C=CCN(C(=O)C[C@@H](C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000823501601	603380996	/nfs/dbraw/zinc/38/09/96/603380996.db2.gz	ZUTGLMHGLLGFIT-NXEZZACHSA-N	-1	0	304.368	0.234	20	30		DCEDRM
C#CCN(CC)C(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1	ZINC000823450799	603703201	/nfs/dbraw/zinc/70/32/01/603703201.db2.gz	JILFNEJYNBDBLG-UHFFFAOYSA-N	-1	0	303.318	0.874	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN1CCC[C@@H](C)[C@@H]1CNC(=O)[O-]	ZINC000823511170	603720126	/nfs/dbraw/zinc/72/01/26/603720126.db2.gz	QKSSIRCERWCCRU-MNOVXSKESA-N	-1	0	312.370	0.366	20	30		DCEDRM
C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825889246	603728415	/nfs/dbraw/zinc/72/84/15/603728415.db2.gz	VVIUIYAIIRZODW-FRRDWIJNSA-N	-1	0	308.382	0.964	20	30		DCEDRM
N#CCCN(Cc1ccccn1)C(=O)COC1CN(C(=O)[O-])C1	ZINC000831097174	603766553	/nfs/dbraw/zinc/76/65/53/603766553.db2.gz	FCSPYBZMSLMNKJ-UHFFFAOYSA-N	-1	0	318.333	0.703	20	30		DCEDRM
C[C@@H](CNC(=O)[O-])N(C)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000824961102	603778945	/nfs/dbraw/zinc/77/89/45/603778945.db2.gz	YCUYVZCIYNFYEO-LZTQFINJSA-N	-1	0	324.337	0.017	20	30		DCEDRM
CN(CCCNC(=O)[O-])C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000828297915	603816827	/nfs/dbraw/zinc/81/68/27/603816827.db2.gz	JHGXOZSSUFHVKS-SEYXRHQNSA-N	-1	0	324.337	0.019	20	30		DCEDRM
C[C@@H](CNC(=O)[O-])N(C)c1ncnc2c1cnn2CCC#N	ZINC000824974312	603891829	/nfs/dbraw/zinc/89/18/29/603891829.db2.gz	WBKKAPOQPRYOHD-VIFPVBQESA-N	-1	0	303.326	0.832	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)N1CCCCCC1	ZINC000831091366	603918310	/nfs/dbraw/zinc/91/83/10/603918310.db2.gz	CEOJYDLBVJOFAQ-LLVKDONJSA-N	-1	0	316.383	0.295	20	30		DCEDRM
CN(C(=O)COC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)C(C)(C)C#N	ZINC000827774871	604044054	/nfs/dbraw/zinc/04/40/54/604044054.db2.gz	NQDSWWYVTMEMDT-VHSXEESVSA-N	-1	0	311.338	0.726	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1Cc2cc(F)ccc2O1	ZINC000831076090	604071395	/nfs/dbraw/zinc/07/13/95/604071395.db2.gz	GKJSZCIEXQTBLH-YPMHNXCESA-N	-1	0	319.292	0.844	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000831141336	604073521	/nfs/dbraw/zinc/07/35/21/604073521.db2.gz	GVYDVISGIKWJDP-LBPRGKRZSA-N	-1	0	314.301	0.651	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cnn2cccnc12	ZINC000831091803	604082470	/nfs/dbraw/zinc/08/24/70/604082470.db2.gz	LGVSFRHTSAXNHH-VIFPVBQESA-N	-1	0	300.278	0.057	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CN1CCCCCC1=O	ZINC000831082062	604084114	/nfs/dbraw/zinc/08/41/14/604084114.db2.gz	HFDPVJRIBBJKSM-NSHDSACASA-N	-1	0	308.338	0.103	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000831088149	604085762	/nfs/dbraw/zinc/08/57/62/604085762.db2.gz	YSWQBQYNTPBHIQ-SECBINFHSA-N	-1	0	315.289	0.596	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccnc(C2CC2)n1	ZINC000831091637	604089468	/nfs/dbraw/zinc/08/94/68/604089468.db2.gz	JMPYLDZJXFVPHY-JTQLQIEISA-N	-1	0	301.306	0.682	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CCN1C(=O)[O-]	ZINC000825962115	604152303	/nfs/dbraw/zinc/15/23/03/604152303.db2.gz	OFFNQWVYPGVTFG-SNVBAGLBSA-N	-1	0	316.317	0.707	20	30		DCEDRM
N#Cc1nc(NCC(=O)N2CCN(C(=O)[O-])CC2)ccc1Cl	ZINC000831161724	604215126	/nfs/dbraw/zinc/21/51/26/604215126.db2.gz	KDERTSJRFMGFMM-UHFFFAOYSA-N	-1	0	323.740	0.841	20	30		DCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@](C)(C#N)C(C)C	ZINC000827016621	604401670	/nfs/dbraw/zinc/40/16/70/604401670.db2.gz	QOMLGNVEAUCCOW-SWLSCSKDSA-N	-1	0	313.398	0.851	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CC1	ZINC000833364196	604465106	/nfs/dbraw/zinc/46/51/06/604465106.db2.gz	GXFWLENZHFIZIA-UHFFFAOYSA-N	-1	0	322.386	0.465	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000829979175	604498758	/nfs/dbraw/zinc/49/87/58/604498758.db2.gz	ZJDARUUDRXRVAK-GFCCVEGCSA-N	-1	0	312.347	0.668	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823500680	604615236	/nfs/dbraw/zinc/61/52/36/604615236.db2.gz	JYDWFPQOJXFEIL-STQMWFEESA-N	-1	0	311.382	0.544	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)cn1	ZINC000823467446	604680267	/nfs/dbraw/zinc/68/02/67/604680267.db2.gz	WNIVODIPBMVPFK-GWCFXTLKSA-N	-1	0	303.318	0.560	20	30		DCEDRM
N#CCOc1cccc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831109707	604719495	/nfs/dbraw/zinc/71/94/95/604719495.db2.gz	RASJDFAOWGDIAO-LBPRGKRZSA-N	-1	0	305.290	0.906	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)CNc1ccc(C#N)cc1	ZINC000829954230	604729475	/nfs/dbraw/zinc/72/94/75/604729475.db2.gz	DKDDGJWXYRWKOY-ZDUSSCGKSA-N	-1	0	305.334	0.918	20	30		DCEDRM
C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCO[C@@H](C#N)C1	ZINC000826009504	604761979	/nfs/dbraw/zinc/76/19/79/604761979.db2.gz	YPGCTRQSYJTSSK-FZMZJTMJSA-N	-1	0	317.345	0.614	20	30		DCEDRM
O=C([O-])NC[C@@H]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC000832578543	604817381	/nfs/dbraw/zinc/81/73/81/604817381.db2.gz	OJGCUPWQOATNJC-LBPRGKRZSA-N	-1	0	316.313	0.883	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)c1cnccc1C(=O)[O-]	ZINC000829692319	604871673	/nfs/dbraw/zinc/87/16/73/604871673.db2.gz	GKDWBKBOZAYXAX-UHFFFAOYSA-N	-1	0	305.290	0.699	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cnccc1C(=O)[O-]	ZINC000829641914	604878838	/nfs/dbraw/zinc/87/88/38/604878838.db2.gz	DWBABHCRKUEXSE-SNVBAGLBSA-N	-1	0	319.317	0.945	20	30		DCEDRM
N#Cc1ccc(OCCOC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000831141559	605077132	/nfs/dbraw/zinc/07/71/32/605077132.db2.gz	JXWBOSWTIRVUSE-ZDUSSCGKSA-N	-1	0	320.301	0.859	20	30		DCEDRM
CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1	ZINC000833414752	605271573	/nfs/dbraw/zinc/27/15/73/605271573.db2.gz	NYVFGZYYLLDWJI-JTQLQIEISA-N	-1	0	305.338	0.499	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CCC(CC(=O)[O-])CC1	ZINC000833378016	605288015	/nfs/dbraw/zinc/28/80/15/605288015.db2.gz	GANNXHNRVSOZCI-UHFFFAOYSA-N	-1	0	318.395	0.484	20	30		DCEDRM
C=CCN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[O-]	ZINC000833788319	605334242	/nfs/dbraw/zinc/33/42/42/605334242.db2.gz	UZVHQNLQNMGDOJ-UHFFFAOYSA-N	-1	0	305.334	0.585	20	30		DCEDRM
N#C[C@H](C(=O)C[C@H]1CSCCN1C(=O)[O-])C(=O)NC1CC1	ZINC000831065053	605347486	/nfs/dbraw/zinc/34/74/86/605347486.db2.gz	OFEOYQFVDLKZJT-VHSXEESVSA-N	-1	0	311.363	0.459	20	30		DCEDRM
CN(CCCNC(=O)[O-])C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000828293374	605359082	/nfs/dbraw/zinc/35/90/82/605359082.db2.gz	MKTSVNUIQLIBHY-UHFFFAOYSA-N	-1	0	322.296	0.752	20	30		DCEDRM
N#Cc1ccc(F)c(COC(=O)[C@@H](CC(N)=O)NC(=O)[O-])c1	ZINC000833973833	605417048	/nfs/dbraw/zinc/41/70/48/605417048.db2.gz	NWPDLJLCWVZXRZ-SNVBAGLBSA-N	-1	0	309.253	0.252	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000833366149	605497953	/nfs/dbraw/zinc/49/79/53/605497953.db2.gz	IPTKAQRHWHLCER-UHFFFAOYSA-N	-1	0	305.290	0.481	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC000833366344	605498910	/nfs/dbraw/zinc/49/89/10/605498910.db2.gz	RVUFSNZBQQZHEL-UHFFFAOYSA-N	-1	0	320.301	0.098	20	30		DCEDRM
N#CCn1cc(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)cn1	ZINC000831109250	605677661	/nfs/dbraw/zinc/67/76/61/605677661.db2.gz	DHCGCNSNDIOJST-LLVKDONJSA-N	-1	0	307.310	0.504	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC[C@@H]2CN(C)C(=O)[O-])c1C#N	ZINC000833935356	605693124	/nfs/dbraw/zinc/69/31/24/605693124.db2.gz	GENVKKRTZSQBOF-SNVBAGLBSA-N	-1	0	306.322	0.998	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833374998	605693721	/nfs/dbraw/zinc/69/37/21/605693721.db2.gz	DDBYOVSWLGFZSY-STQMWFEESA-N	-1	0	324.377	0.525	20	30		DCEDRM
Cc1onc(CC(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1C#N	ZINC000833936184	605697905	/nfs/dbraw/zinc/69/79/05/605697905.db2.gz	LJKFDLAKALJPRS-KCJUWKMLSA-N	-1	0	306.322	0.902	20	30		DCEDRM
Cc1onc(CC(=O)N2C[C@@H](C)N(C(=O)[O-])C[C@@H]2C)c1C#N	ZINC000833936190	605699882	/nfs/dbraw/zinc/69/98/82/605699882.db2.gz	LOMGFTZOZVIFFP-DTWKUNHWSA-N	-1	0	306.322	0.996	20	30		DCEDRM
Cc1onc(CC(=O)N2CC[C@@H]([C@H](C)NC(=O)[O-])C2)c1C#N	ZINC000833937253	605700158	/nfs/dbraw/zinc/70/01/58/605700158.db2.gz	VDZMMDRUQMNHSY-WCBMZHEXSA-N	-1	0	306.322	0.902	20	30		DCEDRM
N#Cc1ccc(C(=O)COC(=O)[C@H]2COCCN2C(=O)[O-])cc1	ZINC000833973894	605722504	/nfs/dbraw/zinc/72/25/04/605722504.db2.gz	RVDSHXAZLZNKAL-GFCCVEGCSA-N	-1	0	318.285	0.663	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)NCC1CN(C(=O)[O-])C1	ZINC000833975505	605726415	/nfs/dbraw/zinc/72/64/15/605726415.db2.gz	YCOYDYBRANQNPV-UHFFFAOYSA-N	-1	0	313.310	0.585	20	30		DCEDRM
COc1ccc(C#N)cc1COC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000829269292	605815782	/nfs/dbraw/zinc/81/57/82/605815782.db2.gz	STBSGRSGVIAVRZ-ZDUSSCGKSA-N	-1	0	320.301	0.989	20	30		DCEDRM
N#CCN1CCC(NC(=O)[C@@H]2CC23CCN(C(=O)[O-])CC3)CC1	ZINC000833966939	605835904	/nfs/dbraw/zinc/83/59/04/605835904.db2.gz	MXBNXOCBSCMDFI-ZDUSSCGKSA-N	-1	0	320.393	0.871	20	30		DCEDRM
O=C([O-])N[C@H]1CCCC1=NNC(=S)NC[C@@H]1CCCO1	ZINC000834167960	605857195	/nfs/dbraw/zinc/85/71/95/605857195.db2.gz	FKMZFCWNFMCRBZ-IUCAKERBSA-N	-1	0	300.384	0.806	20	30		DCEDRM
N#Cc1ccc(Cl)c(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000833972856	605939535	/nfs/dbraw/zinc/93/95/35/605939535.db2.gz	DUESVAHJUWEEBN-UHFFFAOYSA-N	-1	0	322.708	0.629	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC(CNC(=O)[O-])CC2)nc1	ZINC000833973704	605996692	/nfs/dbraw/zinc/99/66/92/605996692.db2.gz	BSIMLHNQLBVQED-UHFFFAOYSA-N	-1	0	317.349	0.871	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@@H](CC(F)F)NC(=O)[O-])CCN1C1CC1	ZINC000833968997	606044895	/nfs/dbraw/zinc/04/48/95/606044895.db2.gz	ZCBOWBKUDJQWSX-NXEZZACHSA-N	-1	0	316.308	0.477	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@H](CC(F)F)NC(=O)[O-])CCN1C1CC1	ZINC000833969001	606045897	/nfs/dbraw/zinc/04/58/97/606045897.db2.gz	ZCBOWBKUDJQWSX-ZJUUUORDSA-N	-1	0	316.308	0.477	20	30		DCEDRM
N#Cc1nc(NC(=O)CCOCC2CC2)[n-]c1-c1nn[nH]n1	ZINC000822815640	606286380	/nfs/dbraw/zinc/28/63/80/606286380.db2.gz	VEOHSPLUTCCHBG-UHFFFAOYSA-N	-1	0	302.298	0.217	20	30		DCEDRM
N#C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CCCCC1	ZINC000822801546	607221974	/nfs/dbraw/zinc/22/19/74/607221974.db2.gz	KLYNUBVPTMYORC-SNVBAGLBSA-N	-1	0	315.341	0.047	20	30		DCEDRM
CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CCCC#N	ZINC000838894423	667718728	/nfs/dbraw/zinc/71/87/28/667718728.db2.gz	IMQVKDKUABWZFP-JTQLQIEISA-N	-1	0	304.368	0.858	20	30		DCEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1	ZINC000049418039	657458546	/nfs/dbraw/zinc/45/85/46/657458546.db2.gz	RLJMNNANMVCDRN-UHFFFAOYSA-N	-1	0	300.336	0.594	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)c1[O-]	ZINC001022565116	658091052	/nfs/dbraw/zinc/09/10/52/658091052.db2.gz	STMWCTSVWKHIIX-DVVUODLYSA-N	-1	0	317.349	0.256	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)[N-]C(=O)COC2CC2)c1	ZINC000893175622	658987494	/nfs/dbraw/zinc/98/74/94/658987494.db2.gz	FMZCRFSOAXCALK-UHFFFAOYSA-N	-1	0	312.322	0.822	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1	ZINC001027405395	659419398	/nfs/dbraw/zinc/41/93/98/659419398.db2.gz	GUFOFRXIZRBMCO-GFCCVEGCSA-N	-1	0	303.366	0.347	20	30		DCEDRM
C#CCOCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000784455189	659544455	/nfs/dbraw/zinc/54/44/55/659544455.db2.gz	VLCOTISBWZADLS-UHFFFAOYSA-N	-1	0	300.286	0.765	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000726350680	661656804	/nfs/dbraw/zinc/65/68/04/661656804.db2.gz	WHLFDLTVFVWWJM-VXGBXAGGSA-N	-1	0	305.396	0.983	20	30		DCEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)cc1	ZINC000048519059	661924709	/nfs/dbraw/zinc/92/47/09/661924709.db2.gz	UKKMGCFIMZACGP-LLVKDONJSA-N	-1	0	301.320	0.756	20	30		DCEDRM
C[C@@H]1[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000986131644	662559791	/nfs/dbraw/zinc/55/97/91/662559791.db2.gz	IXDSXDKRNDOYIV-PSASIEDQSA-N	-1	0	315.337	0.103	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1C#N	ZINC000263205778	662656173	/nfs/dbraw/zinc/65/61/73/662656173.db2.gz	MXNFAOWSQDUDSB-SKDRFNHKSA-N	-1	0	323.374	0.993	20	30		DCEDRM
C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000987350689	662670876	/nfs/dbraw/zinc/67/08/76/662670876.db2.gz	FKKNSOTUYQHKSM-IUCAKERBSA-N	-1	0	301.306	0.645	20	30		DCEDRM
CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)nn1C	ZINC000080253122	662990509	/nfs/dbraw/zinc/99/05/09/662990509.db2.gz	ODBHSSQSFSAWPJ-UHFFFAOYSA-N	-1	0	311.367	0.971	20	30		DCEDRM
CC#CC[C@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000872500382	663050417	/nfs/dbraw/zinc/05/04/17/663050417.db2.gz	OMLIHOLBCHSXAL-MLCYQJTMSA-N	-1	0	310.441	0.491	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000899933992	663202407	/nfs/dbraw/zinc/20/24/07/663202407.db2.gz	CDYGTYILZZULMH-GDNZZTSVSA-N	-1	0	306.343	0.818	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2cccs2)cc1C(N)=O	ZINC000042345839	663251051	/nfs/dbraw/zinc/25/10/51/663251051.db2.gz	MYMTWZNZLDITCE-UHFFFAOYSA-N	-1	0	313.360	0.879	20	30		DCEDRM
CCn1ncn(N=Cc2cc(C(=O)[O-])ccc2N(C)C)c1=O	ZINC000901245703	663333196	/nfs/dbraw/zinc/33/31/96/663333196.db2.gz	MZGSBAOCNHEOFM-UHFFFAOYSA-N	-1	0	303.322	0.711	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(-n2ccnn2)c1	ZINC000179381834	663341391	/nfs/dbraw/zinc/34/13/91/663341391.db2.gz	SIOJJYVFJVWCRF-CYBMUJFWSA-N	-1	0	313.317	0.352	20	30		DCEDRM
C=CCN(C(=O)c1cccn(CC(=O)[O-])c1=O)[C@@H](C)COC	ZINC000902047421	663380279	/nfs/dbraw/zinc/38/02/79/663380279.db2.gz	FCDTWRKACYKVPM-NSHDSACASA-N	-1	0	308.334	0.596	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)cn1	ZINC000902628468	663423616	/nfs/dbraw/zinc/42/36/16/663423616.db2.gz	VEZHOIQSTMRLTH-UHFFFAOYSA-N	-1	0	300.318	0.467	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@](C)(C#N)CN(C)C)cc1=O	ZINC000905497119	663561396	/nfs/dbraw/zinc/56/13/96/663561396.db2.gz	WNBBWLHWRQEAPG-OAHLLOKOSA-N	-1	0	307.398	0.335	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)F)C1	ZINC000905991639	663594626	/nfs/dbraw/zinc/59/46/26/663594626.db2.gz	CRDHBXKNKYELEO-HTQZYQBOSA-N	-1	0	310.322	0.764	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1CCCO1	ZINC000906935371	663652589	/nfs/dbraw/zinc/65/25/89/663652589.db2.gz	RBGFSIQAUJJMCE-OLZOCXBDSA-N	-1	0	309.343	0.844	20	30		DCEDRM
O=C(C#Cc1cccs1)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907479435	663700942	/nfs/dbraw/zinc/70/09/42/663700942.db2.gz	DTWWHRHBYJNXPQ-JTQLQIEISA-N	-1	0	305.388	0.929	20	30		DCEDRM
C=CCCC[C@H](NC(=O)NCCCN1CCOCC1)C(=O)[O-]	ZINC000908737512	663767553	/nfs/dbraw/zinc/76/75/53/663767553.db2.gz	LQFJYSRUGDXNBA-ZDUSSCGKSA-N	-1	0	313.398	0.817	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCCN1CCOCC1(C)C)C(=O)[O-]	ZINC000908938022	663775453	/nfs/dbraw/zinc/77/54/53/663775453.db2.gz	XBGYPCDIEMVQSR-LBPRGKRZSA-N	-1	0	313.398	0.816	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)NCCOC[C@@H]1CCOC1)C(=O)[O-]	ZINC000908947694	663775895	/nfs/dbraw/zinc/77/58/95/663775895.db2.gz	FXYIGQIJCQOYJJ-MNOVXSKESA-N	-1	0	320.773	0.935	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909236809	663788764	/nfs/dbraw/zinc/78/87/64/663788764.db2.gz	BQVLOCAXGBGFMZ-QNWHQSFQSA-N	-1	0	312.366	0.757	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](O)CCc1ccccc1)C(=O)[O-]	ZINC000909771571	663800348	/nfs/dbraw/zinc/80/03/48/663800348.db2.gz	RFIIUWADZUOOSY-KGLIPLIRSA-N	-1	0	307.346	0.752	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CC1CCN(OCC)CC1)C(=O)[O-]	ZINC000909771328	663800382	/nfs/dbraw/zinc/80/03/82/663800382.db2.gz	NEVVKWXVUGUIFB-ZDUSSCGKSA-N	-1	0	314.382	0.812	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cn1cnc2ccccc21)C(=O)[O-]	ZINC000909771543	663800398	/nfs/dbraw/zinc/80/03/98/663800398.db2.gz	NWUNTAGVVSCNCT-GFCCVEGCSA-N	-1	0	303.318	0.808	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1c(C)nn(CC)c1C)C(=O)[O-]	ZINC000909770837	663800583	/nfs/dbraw/zinc/80/05/83/663800583.db2.gz	LPEWRAUVKVUXKZ-CYBMUJFWSA-N	-1	0	309.366	0.834	20	30		DCEDRM
C=C[C@](C)(O)C(=O)N1CCC(n2ncc(C(=O)[O-])c2C)CC1	ZINC000909818008	663808487	/nfs/dbraw/zinc/80/84/87/663808487.db2.gz	DKBNSMXHCQUKEJ-HNNXBMFYSA-N	-1	0	307.350	0.990	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1	ZINC000909832501	663811279	/nfs/dbraw/zinc/81/12/79/663811279.db2.gz	SLJAWRRUCYLYBL-FIKIJFGZSA-N	-1	0	317.407	0.792	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-]	ZINC000910051212	663836875	/nfs/dbraw/zinc/83/68/75/663836875.db2.gz	GQVOIVAHLJMJFC-KGLIPLIRSA-N	-1	0	314.341	0.628	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1)C(=O)[O-]	ZINC000910053742	663837263	/nfs/dbraw/zinc/83/72/63/663837263.db2.gz	CURVEVBPHMHVLG-STQMWFEESA-N	-1	0	323.393	0.657	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CSCN1C(=O)CCCC)C(=O)[O-]	ZINC000910054903	663837737	/nfs/dbraw/zinc/83/77/37/663837737.db2.gz	ULOGMFFXSAUGQF-WDEREUQCSA-N	-1	0	312.391	0.671	20	30		DCEDRM
C#CC[C@@H](NC(=O)C1([C@H]2CCCCO2)CCOCC1)C(=O)[O-]	ZINC000910048938	663840558	/nfs/dbraw/zinc/84/05/58/663840558.db2.gz	PMENCVATJYKNNQ-CHWSQXEVSA-N	-1	0	309.362	0.945	20	30		DCEDRM
C[C@]1(C(=O)[O-])CN(C(=O)COc2ccc(C#N)cc2)CCO1	ZINC000910318345	663868629	/nfs/dbraw/zinc/86/86/29/663868629.db2.gz	JJGIFISUGOWFGF-OAHLLOKOSA-N	-1	0	304.302	0.639	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)n1	ZINC000911718269	664102252	/nfs/dbraw/zinc/10/22/52/664102252.db2.gz	HBAHLJLLMZTCDA-UBHSHLNASA-N	-1	0	319.361	0.743	20	30		DCEDRM
CCc1ccc(C#CC(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1	ZINC000913499591	664334241	/nfs/dbraw/zinc/33/42/41/664334241.db2.gz	WMYYCOGEGLNXTG-AWEZNQCLSA-N	-1	0	311.345	0.714	20	30		DCEDRM
C=C(Br)CN1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001030224730	664480154	/nfs/dbraw/zinc/48/01/54/664480154.db2.gz	MVMNJAPZBWQXIS-UHFFFAOYSA-N	-1	0	315.171	0.746	20	30		DCEDRM
CC(C)CCN(CCC#N)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730545608	664791874	/nfs/dbraw/zinc/79/18/74/664791874.db2.gz	CDAUOANJHKDMBF-UHFFFAOYSA-N	-1	0	316.365	0.860	20	30		DCEDRM
CC(=O)N(C)CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000914921648	664840536	/nfs/dbraw/zinc/84/05/36/664840536.db2.gz	BNYNIEAWJJRRKA-SNVBAGLBSA-N	-1	0	309.347	0.649	20	30		DCEDRM
COCCS(=O)(=O)[N-]C(=O)c1ccc(C=NOC)cc1	ZINC000732523814	664943500	/nfs/dbraw/zinc/94/35/00/664943500.db2.gz	YHRBQBWAGQRQJB-UHFFFAOYSA-N	-1	0	300.336	0.373	20	30		DCEDRM
Cc1ccccc1C([O-])=C(C#N)C(=O)N1CCS(=O)(=O)CC1	ZINC000732907778	664973373	/nfs/dbraw/zinc/97/33/73/664973373.db2.gz	DACFBXGRKBYWIC-CYBMUJFWSA-N	-1	0	320.370	0.575	20	30		DCEDRM
Cc1cc(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)c(C)o1	ZINC000732910414	664974084	/nfs/dbraw/zinc/97/40/84/664974084.db2.gz	POAFCINHMRXQPE-LBPRGKRZSA-N	-1	0	324.358	0.476	20	30		DCEDRM
Cc1cccc(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1	ZINC000732911016	664974362	/nfs/dbraw/zinc/97/43/62/664974362.db2.gz	XCPZDYKXRBJITB-CYBMUJFWSA-N	-1	0	320.370	0.575	20	30		DCEDRM
C=CC[N@H+]1CCC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@H]1C	ZINC000993941300	665021133	/nfs/dbraw/zinc/02/11/33/665021133.db2.gz	AHVHACLQLVKNHY-DGCLKSJQSA-N	-1	0	315.377	0.791	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(N)c([N+](=O)[O-])c1	ZINC000916892005	665099453	/nfs/dbraw/zinc/09/94/53/665099453.db2.gz	YVNUGIKBUYWJGC-SECBINFHSA-N	-1	0	306.278	0.262	20	30		DCEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccc1-n1cnnn1	ZINC000916952077	665106152	/nfs/dbraw/zinc/10/61/52/665106152.db2.gz	RPQKJOQNOSFHRZ-LBPRGKRZSA-N	-1	0	312.333	0.818	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC000917002696	665107995	/nfs/dbraw/zinc/10/79/95/665107995.db2.gz	OQWOUPQGRXUOSU-CHWSQXEVSA-N	-1	0	315.329	0.873	20	30		DCEDRM
C=CCN1C(=O)c2ccc(C([O-])=C(C#N)C(=O)NC)cc2C1=O	ZINC000917002711	665108155	/nfs/dbraw/zinc/10/81/55/665108155.db2.gz	STFDXKLJUXJFEH-LBPRGKRZSA-N	-1	0	311.297	0.537	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(OCC(=O)OC)cc1	ZINC000918486764	665171821	/nfs/dbraw/zinc/17/18/21/665171821.db2.gz	LGLVNVWADIIBBL-CYBMUJFWSA-N	-1	0	316.313	0.863	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(OCC(=O)OC)cc1	ZINC000918486770	665172032	/nfs/dbraw/zinc/17/20/32/665172032.db2.gz	LGLVNVWADIIBBL-ZDUSSCGKSA-N	-1	0	316.313	0.863	20	30		DCEDRM
COC(=O)NCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000919510136	665219546	/nfs/dbraw/zinc/21/95/46/665219546.db2.gz	KRQSNXMKDSKBCB-MRVPVSSYSA-N	-1	0	311.319	0.527	20	30		DCEDRM
C#CCN1CCC(NS(=O)(=O)c2cc([O-])cc(F)c2)CC1	ZINC000921437057	665304623	/nfs/dbraw/zinc/30/46/23/665304623.db2.gz	LDDQCPXWHNPJIM-UHFFFAOYSA-N	-1	0	312.366	0.907	20	30		DCEDRM
Cc1nc(C)c(CC(=O)N[C@H]2CCN(CC#N)C[C@@H]2C)c(=O)[nH]1	ZINC000944890443	666539258	/nfs/dbraw/zinc/53/92/58/666539258.db2.gz	LPOSSCVTRGQDGY-HZMBPMFUSA-N	-1	0	317.393	0.692	20	30		DCEDRM
CON=Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc1	ZINC000733723792	666808653	/nfs/dbraw/zinc/80/86/53/666808653.db2.gz	WHPJLHPVSGDCGI-GFCCVEGCSA-N	-1	0	312.347	0.515	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000863408589	667139954	/nfs/dbraw/zinc/13/99/54/667139954.db2.gz	RBJVMCHRTCBMIO-QMMMGPOBSA-N	-1	0	302.333	0.330	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000863802071	667184237	/nfs/dbraw/zinc/18/42/37/667184237.db2.gz	KDDXBEPZBXWLDD-ZJUUUORDSA-N	-1	0	308.300	0.844	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)[O-]	ZINC000864186065	667222959	/nfs/dbraw/zinc/22/29/59/667222959.db2.gz	IIQFRPLGYCFMMT-BDAKNGLRSA-N	-1	0	309.771	0.666	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001040644087	667425199	/nfs/dbraw/zinc/42/51/99/667425199.db2.gz	LWURJXQJDKXWQI-LLVKDONJSA-N	-1	0	318.381	0.484	20	30		DCEDRM
CN(CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)[C@@H]1CCSC1	ZINC000774288017	667595583	/nfs/dbraw/zinc/59/55/83/667595583.db2.gz	LDZLJQLGKIQKEE-SNVBAGLBSA-N	-1	0	319.452	0.419	20	30		DCEDRM
C#CCO[N-]C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000869254872	667642396	/nfs/dbraw/zinc/64/23/96/667642396.db2.gz	SXGGXQSVXZTTNX-HNNXBMFYSA-N	-1	0	323.349	0.823	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@@H](C)CC2	ZINC000870134630	667712793	/nfs/dbraw/zinc/71/27/93/667712793.db2.gz	QVIQEVLCBQXLBS-NWDGAFQWSA-N	-1	0	318.377	0.941	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnn1CC1CCC1	ZINC000870138338	667713121	/nfs/dbraw/zinc/71/31/21/667713121.db2.gz	KASIKBWYZKNKNR-LBPRGKRZSA-N	-1	0	304.350	0.768	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCNC(=O)C(C)(C)C)CC1	ZINC000870830664	667765063	/nfs/dbraw/zinc/76/50/63/667765063.db2.gz	BEQGDDVZQCTPPY-UHFFFAOYSA-N	-1	0	302.396	0.703	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](OCC)C2CCOCC2)CC1	ZINC000870839399	667765437	/nfs/dbraw/zinc/76/54/37/667765437.db2.gz	KHEFQIOUVAWEPP-LBPRGKRZSA-N	-1	0	317.407	0.983	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2nc(C3CC3)nn2C)CC1	ZINC000870838579	667765572	/nfs/dbraw/zinc/76/55/72/667765572.db2.gz	FXKDBRDIPKLNJH-UHFFFAOYSA-N	-1	0	310.379	0.400	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)c2ncccn2)cc1	ZINC000750800737	667987852	/nfs/dbraw/zinc/98/78/52/667987852.db2.gz	HKAINJGSKSTXHB-UHFFFAOYSA-N	-1	0	302.315	0.608	20	30		DCEDRM
Cc1noc(CCC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000754669228	668049415	/nfs/dbraw/zinc/04/94/15/668049415.db2.gz	WEFWQIPSHLOTFI-UHFFFAOYSA-N	-1	0	320.330	0.687	20	30		DCEDRM
CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759714568	668233199	/nfs/dbraw/zinc/23/31/99/668233199.db2.gz	ZNCQVFGPPOTALP-NSHDSACASA-N	-1	0	309.347	0.626	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnc2nccnc2c1	ZINC000760198002	668262178	/nfs/dbraw/zinc/26/21/78/668262178.db2.gz	OGMOUEXLBDVQIG-LLVKDONJSA-N	-1	0	313.317	0.500	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000875477046	668328106	/nfs/dbraw/zinc/32/81/06/668328106.db2.gz	TYYASNMMQUAISB-GZMMTYOYSA-N	-1	0	306.288	0.999	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CNC(=O)NCc1ccc(F)cc1	ZINC000762052921	668344925	/nfs/dbraw/zinc/34/49/25/668344925.db2.gz	OJBHEMYCTBMHGV-UHFFFAOYSA-N	-1	0	323.324	0.724	20	30		DCEDRM
CON=Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)cc1	ZINC000764150248	668435497	/nfs/dbraw/zinc/43/54/97/668435497.db2.gz	LDAIPSGQCQRQLI-SNVBAGLBSA-N	-1	0	314.363	0.761	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCOC1	ZINC000766982247	668556296	/nfs/dbraw/zinc/55/62/96/668556296.db2.gz	NVBYAQPZMKWBEW-LLVKDONJSA-N	-1	0	324.358	0.798	20	30		DCEDRM
Cc1ccc(NC(=S)NN=Cc2cn(CC(=O)[O-])nn2)cc1	ZINC000768476164	668611283	/nfs/dbraw/zinc/61/12/83/668611283.db2.gz	INZKJGNNNBPBTM-UHFFFAOYSA-N	-1	0	318.362	0.992	20	30		DCEDRM
Cc1sc(=O)n(CC(=O)C(C#N)=C([O-])c2nccn2C)c1C	ZINC000770866002	668720679	/nfs/dbraw/zinc/72/06/79/668720679.db2.gz	MUFGBRMOECCNHI-JTQLQIEISA-N	-1	0	318.358	0.852	20	30		DCEDRM
Cc1csc(=O)n1CCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770876461	668721821	/nfs/dbraw/zinc/72/18/21/668721821.db2.gz	LSKAIEFPMJMBQK-JTQLQIEISA-N	-1	0	318.358	0.934	20	30		DCEDRM
N#Cc1ccc(OCC(=O)NCCc2n[n-]c(=S)o2)cc1	ZINC000773098328	668792862	/nfs/dbraw/zinc/79/28/62/668792862.db2.gz	VEEBPTFSWKGJOF-UHFFFAOYSA-N	-1	0	304.331	0.968	20	30		DCEDRM
CN(CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)[C@H]1CCSC1	ZINC000774288015	668828935	/nfs/dbraw/zinc/82/89/35/668828935.db2.gz	LDZLJQLGKIQKEE-JTQLQIEISA-N	-1	0	319.452	0.419	20	30		DCEDRM
COCc1nc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)co1	ZINC000774504335	668836085	/nfs/dbraw/zinc/83/60/85/668836085.db2.gz	XJDMGKAHGRPQJR-UHFFFAOYSA-N	-1	0	313.335	0.574	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C2OCCO2)c1	ZINC000775227220	668859290	/nfs/dbraw/zinc/85/92/90/668859290.db2.gz	MRKCQYRSAMRZRC-CYBMUJFWSA-N	-1	0	318.329	0.817	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(Cn2cccn2)o1	ZINC000776119108	668871278	/nfs/dbraw/zinc/87/12/78/668871278.db2.gz	DCJMYNWLDYYPAD-UHFFFAOYSA-N	-1	0	322.346	0.888	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2	ZINC000776127615	668871331	/nfs/dbraw/zinc/87/13/31/668871331.db2.gz	NIRAIAYFDYJAKZ-UHFFFAOYSA-N	-1	0	312.372	0.778	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1	ZINC000776123027	668871504	/nfs/dbraw/zinc/87/15/04/668871504.db2.gz	JVOPTLHMLFSJKK-UHFFFAOYSA-N	-1	0	301.368	0.043	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000779196359	668908311	/nfs/dbraw/zinc/90/83/11/668908311.db2.gz	BRJVMBOFCZCJFY-SECBINFHSA-N	-1	0	317.257	0.948	20	30		DCEDRM
C[C@H]1CN=C(NN=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)N1	ZINC000779797470	668938324	/nfs/dbraw/zinc/93/83/24/668938324.db2.gz	GZWHELUKGOHJDJ-QMMMGPOBSA-N	-1	0	321.293	0.329	20	30		DCEDRM
CCC[C@@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)c1nnn[n-]1	ZINC000780958618	669022573	/nfs/dbraw/zinc/02/25/73/669022573.db2.gz	FNZAFCGELPYEMC-VXGBXAGGSA-N	-1	0	300.322	0.762	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)cc1	ZINC000781512298	669048301	/nfs/dbraw/zinc/04/83/01/669048301.db2.gz	OQMRJAUDTXAEMQ-CYBMUJFWSA-N	-1	0	324.358	0.562	20	30		DCEDRM
C=C[C@H](CC(=O)[N-]S(=O)(=O)c1cnnn1C)c1ccccc1	ZINC000781743120	669061790	/nfs/dbraw/zinc/06/17/90/669061790.db2.gz	YWWUBKCMILEATL-LLVKDONJSA-N	-1	0	320.374	0.980	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn(CCOC)nc1C	ZINC000782579298	669106593	/nfs/dbraw/zinc/10/65/93/669106593.db2.gz	KOKAMPGVYRLLKY-LBPRGKRZSA-N	-1	0	322.365	0.313	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)Cc1ccn(C)n1	ZINC000782608888	669110983	/nfs/dbraw/zinc/11/09/83/669110983.db2.gz	XTIVYAUMLLKHCQ-UHFFFAOYSA-N	-1	0	318.358	0.648	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCC1=O	ZINC000783428170	669158062	/nfs/dbraw/zinc/15/80/62/669158062.db2.gz	IADCBXLGGNKZSU-ZJUUUORDSA-N	-1	0	300.380	0.987	20	30		DCEDRM
Cc1cc(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)ccc1C#N	ZINC000783552945	669161178	/nfs/dbraw/zinc/16/11/78/669161178.db2.gz	MSPRAHFRWRAZKU-UHFFFAOYSA-N	-1	0	323.312	0.995	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@H]1CCC[C@@H]1O)cc2=O	ZINC000783875004	669179131	/nfs/dbraw/zinc/17/91/31/669179131.db2.gz	BODXBUHMLZAJTP-QWRGUYRKSA-N	-1	0	302.290	0.511	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)CO1	ZINC000784484260	669207402	/nfs/dbraw/zinc/20/74/02/669207402.db2.gz	KFXPOYGQRATPTC-GWCFXTLKSA-N	-1	0	308.359	0.929	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C	ZINC000784871407	669225608	/nfs/dbraw/zinc/22/56/08/669225608.db2.gz	DQXWTDBQTVWEQH-NSHDSACASA-N	-1	0	321.358	0.292	20	30		DCEDRM
COC[C@H](C#N)OC(=O)c1ccc(F)cc1[N-]S(C)(=O)=O	ZINC000785189167	669242329	/nfs/dbraw/zinc/24/23/29/669242329.db2.gz	IQKSSHBDHKBDJP-VIFPVBQESA-N	-1	0	316.310	0.893	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCC(=O)N2C)n1	ZINC000786178891	669298045	/nfs/dbraw/zinc/29/80/45/669298045.db2.gz	SIBONCOMKVPCQC-NXEZZACHSA-N	-1	0	321.358	0.792	20	30		DCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC000786413357	669310374	/nfs/dbraw/zinc/31/03/74/669310374.db2.gz	ULNKAEOWFJVLDP-UHFFFAOYSA-N	-1	0	315.376	0.592	20	30		DCEDRM
C=CCN1CC[C@H](n2cc(C[N-]C(=O)C(F)(F)F)nn2)C1=O	ZINC000881336354	669325313	/nfs/dbraw/zinc/32/53/13/669325313.db2.gz	QEYRIBOJRHWEOZ-VIFPVBQESA-N	-1	0	317.271	0.416	20	30		DCEDRM
C#C[C@@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[C@@H]1CCCO1	ZINC000790036040	669531941	/nfs/dbraw/zinc/53/19/41/669531941.db2.gz	NYCAKTGJEWGZPB-VWYCJHECSA-N	-1	0	320.311	0.987	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc3oc(=O)[nH]c3c2)CC1	ZINC000805915479	669542084	/nfs/dbraw/zinc/54/20/84/669542084.db2.gz	GIKBEZIZHFLGQY-UHFFFAOYSA-N	-1	0	321.314	0.897	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)CCC	ZINC000791110288	669594551	/nfs/dbraw/zinc/59/45/51/669594551.db2.gz	AYLIBDCCIZGORD-NSHDSACASA-N	-1	0	300.380	0.247	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCOCC(F)F)CCC1	ZINC000791883850	669637246	/nfs/dbraw/zinc/63/72/46/669637246.db2.gz	YWQURJSZOOYNSO-UHFFFAOYSA-N	-1	0	310.322	0.798	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1coc(C2CCOCC2)n1	ZINC000810777029	669665271	/nfs/dbraw/zinc/66/52/71/669665271.db2.gz	SBYSUPDROKSAQP-UHFFFAOYSA-N	-1	0	312.347	0.652	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CSCCS2)CC1	ZINC000793204199	669707551	/nfs/dbraw/zinc/70/75/51/669707551.db2.gz	JWMKAQAZILOUQG-QMMMGPOBSA-N	-1	0	306.434	0.585	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)COC(F)F	ZINC000796722628	669940480	/nfs/dbraw/zinc/94/04/80/669940480.db2.gz	GPBSMOIQLOXSMV-UHFFFAOYSA-N	-1	0	304.274	0.743	20	30		DCEDRM
N#Cc1ccccc1C=CC(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796891709	669946838	/nfs/dbraw/zinc/94/68/38/669946838.db2.gz	UJSBNSDDFLVUPD-AATRIKPKSA-N	-1	0	302.315	0.800	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC	ZINC000797295254	669964127	/nfs/dbraw/zinc/96/41/27/669964127.db2.gz	SUMCZVRTXHTGDY-BXKDBHETSA-N	-1	0	307.368	0.223	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1	ZINC000797726589	669973972	/nfs/dbraw/zinc/97/39/72/669973972.db2.gz	JZFDVLGGELZAFZ-MNOVXSKESA-N	-1	0	318.395	0.624	20	30		DCEDRM
CC1=C(C(=O)Nc2cc(C#N)ccc2[O-])Cn2nnnc2N1C	ZINC000798173691	669989468	/nfs/dbraw/zinc/98/94/68/669989468.db2.gz	YAIXIXHGAHKHMZ-UHFFFAOYSA-N	-1	0	311.305	0.613	20	30		DCEDRM
Cn1nncc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1	ZINC000798859171	670027779	/nfs/dbraw/zinc/02/77/79/670027779.db2.gz	CHBVBKPCYFVGIV-SECBINFHSA-N	-1	0	319.271	0.732	20	30		DCEDRM
O=[N+]([O-])c1cc(C=NNCCCN2CCOCC2)ccc1[O-]	ZINC000799486992	670061053	/nfs/dbraw/zinc/06/10/53/670061053.db2.gz	XVCFAQNKEBPWOK-UHFFFAOYSA-N	-1	0	308.338	0.946	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)c1	ZINC000802033761	670148973	/nfs/dbraw/zinc/14/89/73/670148973.db2.gz	NDNOJBATNUEFQJ-UHFFFAOYSA-N	-1	0	305.319	0.045	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000802207602	670157850	/nfs/dbraw/zinc/15/78/50/670157850.db2.gz	ZIYRNVKDSFLYQQ-UHFFFAOYSA-N	-1	0	313.379	0.617	20	30		DCEDRM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C(=O)O1	ZINC000809382787	670450331	/nfs/dbraw/zinc/45/03/31/670450331.db2.gz	MJIHHZNDJYPMAO-LHLIQPBNSA-N	-1	0	316.285	0.819	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000810627550	670491927	/nfs/dbraw/zinc/49/19/27/670491927.db2.gz	HRHFXUMGUBSNFX-UHFFFAOYSA-N	-1	0	301.327	0.506	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(OC)ccc1[N+](=O)[O-]	ZINC000810772184	670496537	/nfs/dbraw/zinc/49/65/37/670496537.db2.gz	VVZYSLRBHCMPIK-UHFFFAOYSA-N	-1	0	312.303	0.686	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnc(NC(=O)C2CC2)c1	ZINC000810769697	670496706	/nfs/dbraw/zinc/49/67/06/670496706.db2.gz	CYEJUFYZMMDHKN-UHFFFAOYSA-N	-1	0	321.358	0.513	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(Cn2cccn2)o1	ZINC000810775865	670497201	/nfs/dbraw/zinc/49/72/01/670497201.db2.gz	XIAUYPYSJZDSMF-UHFFFAOYSA-N	-1	0	307.331	0.607	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCCN1C(=O)C(C)C	ZINC000810779701	670497430	/nfs/dbraw/zinc/49/74/30/670497430.db2.gz	YAJPLCFRPLNLAY-GFCCVEGCSA-N	-1	0	314.407	0.493	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(OCCOC)c1	ZINC000810781602	670497738	/nfs/dbraw/zinc/49/77/38/670497738.db2.gz	FLEIOXIXFXBSON-UHFFFAOYSA-N	-1	0	312.347	0.190	20	30		DCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)n1	ZINC000810877448	670499532	/nfs/dbraw/zinc/49/95/32/670499532.db2.gz	WVJAXBULVFEIEF-JTQLQIEISA-N	-1	0	309.347	0.439	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000811157182	670511904	/nfs/dbraw/zinc/51/19/04/670511904.db2.gz	NBBRJBPAODBGSW-LBPRGKRZSA-N	-1	0	305.396	0.840	20	30		DCEDRM
C[C@H](COc1ccccc1)NN=Cc1cn(CC(=O)[O-])nn1	ZINC000811664441	670541482	/nfs/dbraw/zinc/54/14/82/670541482.db2.gz	DKOOBZQXLYLKFU-LLVKDONJSA-N	-1	0	303.322	0.754	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnc(N(C)C)cn1	ZINC000847620856	670583128	/nfs/dbraw/zinc/58/31/28/670583128.db2.gz	DUINRYLXGQOWEY-SNVBAGLBSA-N	-1	0	305.338	0.018	20	30		DCEDRM
Cc1noc(C)c1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813979745	670666630	/nfs/dbraw/zinc/66/66/30/670666630.db2.gz	BCZMLENYCBMEAT-UHFFFAOYSA-N	-1	0	306.303	0.677	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCc2ccoc2)c1	ZINC000813979712	670666735	/nfs/dbraw/zinc/66/67/35/670666735.db2.gz	ZVOGLRIIEQUMQY-UHFFFAOYSA-N	-1	0	305.315	0.984	20	30		DCEDRM
COCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981758	670667521	/nfs/dbraw/zinc/66/75/21/670667521.db2.gz	WJHGBNAQUIETDO-JTQLQIEISA-N	-1	0	311.363	0.821	20	30		DCEDRM
Cc1nn(C)c(OCC(F)(F)F)c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814233153	670682232	/nfs/dbraw/zinc/68/22/32/670682232.db2.gz	DATPAIVLLYTIHD-UHFFFAOYSA-N	-1	0	320.231	0.555	20	30		DCEDRM
C[C@@H]1C(N=Nc2nc3[nH][nH]cc-3c(=O)n2)CC[C@H]1CC(=O)[O-]	ZINC000814842548	670705188	/nfs/dbraw/zinc/70/51/88/670705188.db2.gz	BFPOPBJNHSYRHJ-BQBZGAKWSA-N	-1	0	304.310	0.721	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C1CC[C@@H](C(=O)[O-])C[C@H]1C	ZINC000814845576	670705889	/nfs/dbraw/zinc/70/58/89/670705889.db2.gz	ZWHCOCLVPKINGZ-HTQZYQBOSA-N	-1	0	300.384	0.073	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)OCC)o1	ZINC000849219259	670765994	/nfs/dbraw/zinc/76/59/94/670765994.db2.gz	OFRGBCNDZGPNIA-UHFFFAOYSA-N	-1	0	315.303	0.165	20	30		DCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000815979653	670777164	/nfs/dbraw/zinc/77/71/64/670777164.db2.gz	JQKGAKLZZMBQHT-UHFFFAOYSA-N	-1	0	324.406	0.941	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC000817111027	670895528	/nfs/dbraw/zinc/89/55/28/670895528.db2.gz	RFZVVYKDZAXNLP-ZIAGYGMSSA-N	-1	0	314.341	0.800	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)CCN(C)C2=O	ZINC000850477585	670916807	/nfs/dbraw/zinc/91/68/07/670916807.db2.gz	YAPQMFFSLNOINS-JTQLQIEISA-N	-1	0	317.345	0.876	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccnn1C(F)F	ZINC000850752767	670937927	/nfs/dbraw/zinc/93/79/27/670937927.db2.gz	SKQKDKHXBQIQMR-QMMMGPOBSA-N	-1	0	300.265	0.753	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CCOCC1	ZINC000850934610	670955798	/nfs/dbraw/zinc/95/57/98/670955798.db2.gz	WUMFKRBXBRIVOD-LLVKDONJSA-N	-1	0	316.379	0.322	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)[C@@H]1CCOC1	ZINC000850960810	670957990	/nfs/dbraw/zinc/95/79/90/670957990.db2.gz	MWUXTAZOAXQSBC-MNOVXSKESA-N	-1	0	316.379	0.178	20	30		DCEDRM
N#CC1(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CCCC1	ZINC000818318571	671002797	/nfs/dbraw/zinc/00/27/97/671002797.db2.gz	XLHVULPJTXXPDZ-JTQLQIEISA-N	-1	0	303.322	0.834	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cc2c(cn1)OCCO2	ZINC000819943790	671148697	/nfs/dbraw/zinc/14/86/97/671148697.db2.gz	MWPPHBDMSKXHKD-JTQLQIEISA-N	-1	0	301.302	0.798	20	30		DCEDRM
COc1ccc(C[C@@H](C)C(=O)N[C@H]2CCN(O)C2=O)cc1OC	ZINC000820149736	671171974	/nfs/dbraw/zinc/17/19/74/671171974.db2.gz	RMTZFSIEEFJHHL-PWSUYJOCSA-N	-1	0	322.361	0.989	20	30		DCEDRM
COc1ccc(C[C@H](C)C(=O)N[C@H]2CCN(O)C2=O)cc1OC	ZINC000820149735	671172319	/nfs/dbraw/zinc/17/23/19/671172319.db2.gz	RMTZFSIEEFJHHL-JQWIXIFHSA-N	-1	0	322.361	0.989	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(C(N)=O)o1	ZINC000853113998	671209340	/nfs/dbraw/zinc/20/93/40/671209340.db2.gz	HWPIZEBDXLSCAY-GQCTYLIASA-N	-1	0	311.319	0.141	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CCC#N)c1ccc(F)cc1	ZINC000860752025	671235391	/nfs/dbraw/zinc/23/53/91/671235391.db2.gz	JXFFFOQUEHIAHK-NSHDSACASA-N	-1	0	300.311	0.873	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cccc(N2CCCC2=O)c1	ZINC000821583677	671284410	/nfs/dbraw/zinc/28/44/10/671284410.db2.gz	CXIDNNTYKABBQN-UHFFFAOYSA-N	-1	0	321.358	0.787	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)cc1	ZINC000821582207	671284501	/nfs/dbraw/zinc/28/45/01/671284501.db2.gz	GWKJNUPLFDWGRP-UHFFFAOYSA-N	-1	0	323.374	0.496	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F	ZINC000824232953	671424206	/nfs/dbraw/zinc/42/42/06/671424206.db2.gz	NXDNXOUDDCZDLC-RNJXMRFFSA-N	-1	0	301.286	0.832	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1cnn(-c2ccccc2)n1	ZINC000826382984	671487107	/nfs/dbraw/zinc/48/71/07/671487107.db2.gz	DWISUJVAZSDIAO-UHFFFAOYSA-N	-1	0	318.304	0.564	20	30		DCEDRM
C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000827213596	671518503	/nfs/dbraw/zinc/51/85/03/671518503.db2.gz	OKMRYTNRUPCSIK-JTQLQIEISA-N	-1	0	305.338	0.125	20	30		DCEDRM
C#CCOCCC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000830816930	671642532	/nfs/dbraw/zinc/64/25/32/671642532.db2.gz	VSEJPXDRDYCBTK-GFCCVEGCSA-N	-1	0	306.284	0.696	20	30		DCEDRM
N#CCNC(=O)COC(=O)C[C@H](NC(=O)[O-])c1ccccc1	ZINC000831102268	671653473	/nfs/dbraw/zinc/65/34/73/671653473.db2.gz	DUHNBUQZXCGBHL-NSHDSACASA-N	-1	0	305.290	0.568	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000832752938	671739572	/nfs/dbraw/zinc/73/95/72/671739572.db2.gz	FNZXTPQQIWXDCV-NSHDSACASA-N	-1	0	320.324	0.317	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000833366004	671747206	/nfs/dbraw/zinc/74/72/06/671747206.db2.gz	BAKUHUNUFWWOPE-UHFFFAOYSA-N	-1	0	319.285	0.591	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1	ZINC000835027794	671786671	/nfs/dbraw/zinc/78/66/71/671786671.db2.gz	DDHDFWXGWKSUDU-LLVKDONJSA-N	-1	0	311.359	0.929	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000835155747	671789311	/nfs/dbraw/zinc/78/93/11/671789311.db2.gz	NWCBRXTVKOWEJE-SSDOTTSWSA-N	-1	0	318.332	0.500	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1COC	ZINC000835281538	671792296	/nfs/dbraw/zinc/79/22/96/671792296.db2.gz	QOWJZMONWZJNOD-LLVKDONJSA-N	-1	0	311.359	0.676	20	30		DCEDRM
CO[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000835274105	671792322	/nfs/dbraw/zinc/79/23/22/671792322.db2.gz	YCULNLSLERCOAO-ZDUSSCGKSA-N	-1	0	310.375	0.994	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1	ZINC000835289312	671792657	/nfs/dbraw/zinc/79/26/57/671792657.db2.gz	HHWCGPZXQMKSNY-LLVKDONJSA-N	-1	0	313.379	0.382	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC	ZINC000835315151	671793242	/nfs/dbraw/zinc/79/32/42/671793242.db2.gz	OXTRJEVSKZSSPD-DBIOUOCHSA-N	-1	0	319.379	0.221	20	30		DCEDRM
Cn1cncc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000835305153	671793244	/nfs/dbraw/zinc/79/32/44/671793244.db2.gz	YHVAZNWUOKEPED-UHFFFAOYSA-N	-1	0	310.379	0.954	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1nc(C)c(C)s1	ZINC000835582827	671800168	/nfs/dbraw/zinc/80/01/68/671800168.db2.gz	VPKLQDHDZGATDI-QMMMGPOBSA-N	-1	0	302.377	0.603	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1	ZINC000836139670	671818471	/nfs/dbraw/zinc/81/84/71/671818471.db2.gz	IHLZLWJYHOCXDV-SNVBAGLBSA-N	-1	0	313.379	0.387	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1	ZINC000836137437	671818476	/nfs/dbraw/zinc/81/84/76/671818476.db2.gz	FZCFYAZZURGAGN-UHFFFAOYSA-N	-1	0	301.368	0.551	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H](CC)Nc1nnnn1-c1ccccc1	ZINC000837046204	671843991	/nfs/dbraw/zinc/84/39/91/671843991.db2.gz	GRGRCWMBRVZWNE-LBPRGKRZSA-N	-1	0	302.338	0.509	20	30		DCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cnn(CC2CC2)c1	ZINC000837291907	671854933	/nfs/dbraw/zinc/85/49/33/671854933.db2.gz	LYOBJDCICPUYDC-LLVKDONJSA-N	-1	0	313.379	0.991	20	30		DCEDRM
C=CCc1ccc(OCC(=O)N[C@@H](CO)C(=O)[O-])c(OC)c1	ZINC000842050303	671979859	/nfs/dbraw/zinc/97/98/59/671979859.db2.gz	UIOFFKPVIJAHAY-NSHDSACASA-N	-1	0	309.318	0.364	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000842306722	672004843	/nfs/dbraw/zinc/00/48/43/672004843.db2.gz	MKHSJCRITJBUCZ-NXEZZACHSA-N	-1	0	309.303	0.337	20	30		DCEDRM
Cc1nccc(CCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1	ZINC000842752681	672034306	/nfs/dbraw/zinc/03/43/06/672034306.db2.gz	QUMOCJWHAPKYRQ-UHFFFAOYSA-N	-1	0	310.379	0.713	20	30		DCEDRM
C=C(Br)CNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000843259648	672075897	/nfs/dbraw/zinc/07/58/97/672075897.db2.gz	QOAYGMBNBDDYJN-SFYZADRCSA-N	-1	0	319.155	0.381	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)COC(C)(C)C	ZINC000845499790	672253810	/nfs/dbraw/zinc/25/38/10/672253810.db2.gz	XNQBVAMDQZYDBI-UHFFFAOYSA-N	-1	0	320.411	0.328	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C(=O)NC)ccc1C	ZINC000846151565	672297476	/nfs/dbraw/zinc/29/74/76/672297476.db2.gz	AXEURVUWWPYAMD-SNVBAGLBSA-N	-1	0	305.334	0.915	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1	ZINC000846155716	672297893	/nfs/dbraw/zinc/29/78/93/672297893.db2.gz	XTTJKQSEAHYVGG-ZYHUDNBSSA-N	-1	0	317.345	0.851	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnn(C)c1C(F)(F)F	ZINC000846155853	672298136	/nfs/dbraw/zinc/29/81/36/672298136.db2.gz	YWOTWWRLPBSYJR-ZCFIWIBFSA-N	-1	0	306.244	1.000	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccccc1OCCC(N)=O	ZINC000846156535	672298319	/nfs/dbraw/zinc/29/83/19/672298319.db2.gz	WICLKRHDFPZHJM-SNVBAGLBSA-N	-1	0	321.333	0.502	20	30		DCEDRM
CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)nn1	ZINC000793195870	685343643	/nfs/dbraw/zinc/34/36/43/685343643.db2.gz	GXUBUECHRCJLPA-UHFFFAOYSA-N	-1	0	311.367	0.396	20	30		DCEDRM
Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)cn12	ZINC000793196023	685343951	/nfs/dbraw/zinc/34/39/51/685343951.db2.gz	QXICZNGXRCCRDD-UHFFFAOYSA-N	-1	0	319.346	0.401	20	30		DCEDRM
CO[C@](C)(C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CC1	ZINC000813985619	685351587	/nfs/dbraw/zinc/35/15/87/685351587.db2.gz	IHYXLASLCAGUAK-ZDUSSCGKSA-N	-1	0	309.347	0.573	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)c1cccs1)n1cnc(C#N)n1	ZINC000798812613	685346323	/nfs/dbraw/zinc/34/63/23/685346323.db2.gz	VNSJTXHVGPISMS-ZETCQYMHSA-N	-1	0	311.348	0.277	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)[O-]	ZINC000844783986	685368188	/nfs/dbraw/zinc/36/81/88/685368188.db2.gz	CABFZRNDGZKEHQ-LLVKDONJSA-N	-1	0	319.383	0.102	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000850927982	685370704	/nfs/dbraw/zinc/37/07/04/685370704.db2.gz	AIPVXFVQTRGLHX-LLVKDONJSA-N	-1	0	315.395	0.453	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCCCN2C(=O)[C@@H](C)C#N)c1[O-]	ZINC000964580610	689267122	/nfs/dbraw/zinc/26/71/22/689267122.db2.gz	UHCFUKZJVGUYKL-GXSJLCMTSA-N	-1	0	319.365	0.694	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)c1[O-]	ZINC000966400633	689752901	/nfs/dbraw/zinc/75/29/01/689752901.db2.gz	OBOGHRVWOXKBOG-BXKDBHETSA-N	-1	0	316.361	0.414	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001570894908	1162645466	/nfs/dbraw/zinc/64/54/66/1162645466.db2.gz	LKJXHSPBXCPMHA-NSHDSACASA-N	-1	0	305.382	0.640	20	30		DCEDRM
C#CCCCCCC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001670676522	1157481899	/nfs/dbraw/zinc/48/18/99/1157481899.db2.gz	FVXCGYNYSNTQEW-GFCCVEGCSA-N	-1	0	305.382	0.785	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001744901557	1157684406	/nfs/dbraw/zinc/68/44/06/1157684406.db2.gz	GPYUBBYOOYAWCW-RFAUZJTJSA-N	-1	0	324.381	0.375	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CCC[C@H]2CNCC#N)cc1=O	ZINC001671318208	1158014592	/nfs/dbraw/zinc/01/45/92/1158014592.db2.gz	JIZICARJKJOWQV-AWEZNQCLSA-N	-1	0	319.409	0.479	20	30		DCEDRM
N#CC1(CC(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)CCOCC1	ZINC001455744145	1159759994	/nfs/dbraw/zinc/75/99/94/1159759994.db2.gz	OGBWUAVDKSDLAI-GFCCVEGCSA-N	-1	0	318.381	0.691	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(=O)[n-]c1=O	ZINC001465142169	1159767462	/nfs/dbraw/zinc/76/74/62/1159767462.db2.gz	QOHFPAQFULQLOD-NQBHXWOUSA-N	-1	0	316.361	0.906	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC001609258037	1159814339	/nfs/dbraw/zinc/81/43/39/1159814339.db2.gz	XBGODVUDOYMPAG-VHSXEESVSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@H]1C	ZINC001572369008	1163147304	/nfs/dbraw/zinc/14/73/04/1163147304.db2.gz	XPIUODAWNCSKED-QWRGUYRKSA-N	-1	0	322.365	0.346	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	ZINC001573397219	1163422224	/nfs/dbraw/zinc/42/22/24/1163422224.db2.gz	HULKAWOCMWKLBG-MMWGEVLESA-N	-1	0	301.368	0.260	20	30		DCEDRM
C[C@@H](NC(=O)[C@@H](CC#N)c1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001573552233	1163494017	/nfs/dbraw/zinc/49/40/17/1163494017.db2.gz	FHKMEMDJVFASLS-MDZLAQPJSA-N	-1	0	317.345	0.778	20	30		DCEDRM
C[C@@]1(C#N)CN(Cc2cnc3c(C(=O)[O-])cnn3c2)CCO1	ZINC001573590123	1163511838	/nfs/dbraw/zinc/51/18/38/1163511838.db2.gz	NGKZLLXSTZLLJM-CQSZACIVSA-N	-1	0	301.306	0.542	20	30		DCEDRM
COc1ncc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1C#N	ZINC001574053686	1163630324	/nfs/dbraw/zinc/63/03/24/1163630324.db2.gz	DEPVDPFPJOYQCP-SNVBAGLBSA-N	-1	0	318.333	0.697	20	30		DCEDRM
Cc1cc(NC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])ncc1C#N	ZINC001574141153	1163647575	/nfs/dbraw/zinc/64/75/75/1163647575.db2.gz	JEEJKKYCIPLYBJ-DTWKUNHWSA-N	-1	0	319.321	0.361	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)c(F)c1	ZINC001574245288	1163672675	/nfs/dbraw/zinc/67/26/75/1163672675.db2.gz	KKMQUYSMBJAWFV-CABZTGNLSA-N	-1	0	307.281	0.398	20	30		DCEDRM
N#Cc1ccsc1NC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO	ZINC001574249491	1163674600	/nfs/dbraw/zinc/67/46/00/1163674600.db2.gz	WRWOXPABIITPNO-IUCAKERBSA-N	-1	0	310.335	0.712	20	30		DCEDRM
C[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)Cc2cncnc21	ZINC001576365067	1164317007	/nfs/dbraw/zinc/31/70/07/1164317007.db2.gz	NVDGVCDJSPIMAI-MRVPVSSYSA-N	-1	0	320.320	0.442	20	30		DCEDRM
CN(Cc1ccc(N)nc1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579252949	1165252418	/nfs/dbraw/zinc/25/24/18/1165252418.db2.gz	CBKXADGNXZWFOQ-UHFFFAOYSA-N	-1	0	308.309	0.142	20	30		DCEDRM
COC1(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)CCOCC1	ZINC001579602488	1165358122	/nfs/dbraw/zinc/35/81/22/1165358122.db2.gz	LERUNLHEPJIXLD-UHFFFAOYSA-N	-1	0	316.325	0.136	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NCc2ccc(-c3nn[nH]n3)s2)CCO1	ZINC001581857204	1165888996	/nfs/dbraw/zinc/88/89/96/1165888996.db2.gz	SOMZEBIZCKQCDH-MRVPVSSYSA-N	-1	0	319.350	0.362	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2Cc3cccc(O)c3C2)nc1-c1nnn[n-]1	ZINC001581882791	1165901703	/nfs/dbraw/zinc/90/17/03/1165901703.db2.gz	HNTZZNBEFPXZNC-SECBINFHSA-N	-1	0	320.316	0.813	20	30		DCEDRM
N#Cc1ncc(N2CCO[C@H](C(F)F)CC2)nc1-c1nnn[n-]1	ZINC001581882915	1165902858	/nfs/dbraw/zinc/90/28/58/1165902858.db2.gz	LMRKRQWXTDBOAV-QMMMGPOBSA-N	-1	0	322.279	0.389	20	30		DCEDRM
CC#CCCCC(=O)N1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001584633153	1166345973	/nfs/dbraw/zinc/34/59/73/1166345973.db2.gz	YGQWXPJWLRLAGY-GFCCVEGCSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C#CC[C@@H]1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1	ZINC001588336938	1166531950	/nfs/dbraw/zinc/53/19/50/1166531950.db2.gz	HMKWGDCJPGQJMG-SNVBAGLBSA-N	-1	0	318.362	0.296	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-]	ZINC001588547821	1166563643	/nfs/dbraw/zinc/56/36/43/1166563643.db2.gz	HUPSBIXZSYPXQB-LBPRGKRZSA-N	-1	0	315.333	0.871	20	30		DCEDRM
C=CCCSCCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588618028	1166571521	/nfs/dbraw/zinc/57/15/21/1166571521.db2.gz	OMIDELGTGXGGLJ-SECBINFHSA-N	-1	0	322.398	0.445	20	30		DCEDRM
C=CCN(CC=C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001588631894	1166574029	/nfs/dbraw/zinc/57/40/29/1166574029.db2.gz	NVPKVKYXIDTCCJ-UHFFFAOYSA-N	-1	0	317.305	0.817	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[nH]n1	ZINC001588718259	1166581483	/nfs/dbraw/zinc/58/14/83/1166581483.db2.gz	FAXRCSXCSLDPTC-ZJUUUORDSA-N	-1	0	318.341	0.455	20	30		DCEDRM
C=CCS(=O)(=O)CC[NH2+]Cc1csc(-c2nn[nH]n2)c1	ZINC001588688413	1166581823	/nfs/dbraw/zinc/58/18/23/1166581823.db2.gz	GMKBTEVNDDYVTE-UHFFFAOYSA-N	-1	0	313.408	0.619	20	30		DCEDRM
C[C@H](CNc1cnc(C#N)c(-c2nnn[n-]2)n1)Cn1cccn1	ZINC001589878613	1166704487	/nfs/dbraw/zinc/70/44/87/1166704487.db2.gz	FLGYZISQNHBKSK-SECBINFHSA-N	-1	0	310.325	0.473	20	30		DCEDRM
C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)O1	ZINC001590189452	1166804609	/nfs/dbraw/zinc/80/46/09/1166804609.db2.gz	CRZIUZJCXXBGAT-MYINAIGISA-N	-1	0	302.298	0.213	20	30		DCEDRM
CC[C@@H]1CO[C@H](C)CN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590522777	1166934740	/nfs/dbraw/zinc/93/47/40/1166934740.db2.gz	HGCNMHZSUJJIHT-RKDXNWHRSA-N	-1	0	300.326	0.532	20	30		DCEDRM
COC[C@@](C)(C#N)NC(=O)c1ccc(-c2nn[nH]n2)c(Cl)n1	ZINC001591367622	1167240080	/nfs/dbraw/zinc/24/00/80/1167240080.db2.gz	BMMBDVSASOGDNZ-GFCCVEGCSA-N	-1	0	321.728	0.574	20	30		DCEDRM
COCCC1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CC1	ZINC001591400712	1167268141	/nfs/dbraw/zinc/26/81/41/1167268141.db2.gz	MSWBKZHCLBCERI-UHFFFAOYSA-N	-1	0	302.298	0.217	20	30		DCEDRM
COc1cc(C#N)ccc1Cn1cnc(-c2nnn[n-]2)cc1=O	ZINC001591508693	1167317649	/nfs/dbraw/zinc/31/76/49/1167317649.db2.gz	CNZRRPKBQXAUAP-UHFFFAOYSA-N	-1	0	309.289	0.352	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cncc3[nH]ccc32)[n-]c1-c1nn[nH]n1	ZINC001592681856	1167600377	/nfs/dbraw/zinc/60/03/77/1167600377.db2.gz	LKOXKLNXXXMESF-UHFFFAOYSA-N	-1	0	320.276	0.590	20	30		DCEDRM
N#Cc1ncc(NCCOC[C@H]2CCCO2)nc1-c1nnn[n-]1	ZINC001592710171	1167608869	/nfs/dbraw/zinc/60/88/69/1167608869.db2.gz	ICTABNVKFZTNOP-SECBINFHSA-N	-1	0	316.325	0.136	20	30		DCEDRM
N#Cc1ncc(NCCCOCC2CC2)nc1-c1nnn[n-]1	ZINC001592709746	1167610415	/nfs/dbraw/zinc/61/04/15/1167610415.db2.gz	BBMQDBCFESYIAU-UHFFFAOYSA-N	-1	0	300.326	0.757	20	30		DCEDRM
Cc1c(C(=O)[O-])csc1NC(=O)C(=O)N1CCO[C@H](C#N)C1	ZINC001599999961	1168086506	/nfs/dbraw/zinc/08/65/06/1168086506.db2.gz	AQONEPAGKNYFLI-MRVPVSSYSA-N	-1	0	323.330	0.444	20	30		DCEDRM
Cc1cc(F)cc(C#N)c1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001600228794	1168141589	/nfs/dbraw/zinc/14/15/89/1168141589.db2.gz	LPUGJEWFSMLUHD-UHFFFAOYSA-N	-1	0	311.294	0.605	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(C#N)c1	ZINC001600476610	1168189285	/nfs/dbraw/zinc/18/92/85/1168189285.db2.gz	NBHPVHBRWNZYSY-LBPRGKRZSA-N	-1	0	324.358	0.731	20	30		DCEDRM
Cc1nc(C#N)c(N2CCN(C(=O)CSCC(=O)[O-])CC2)o1	ZINC001600682114	1168248161	/nfs/dbraw/zinc/24/81/61/1168248161.db2.gz	LVLSXHVQJDSRQN-UHFFFAOYSA-N	-1	0	324.362	0.321	20	30		DCEDRM
Cc1onc(CC(=O)N2CCSC[C@H]2CC(=O)[O-])c1C#N	ZINC001600862723	1168490403	/nfs/dbraw/zinc/49/04/03/1168490403.db2.gz	GDJUWCQPZWYNLS-SECBINFHSA-N	-1	0	309.347	0.816	20	30		DCEDRM
Cn1c2ccccc2n(CN2CCC(C#N)(C(=O)[O-])CC2)c1=O	ZINC001600897454	1168498067	/nfs/dbraw/zinc/49/80/67/1168498067.db2.gz	YRPOBQYEIVMDQL-UHFFFAOYSA-N	-1	0	314.345	0.988	20	30		DCEDRM
Cn1c(CO)nc2cc(C(=O)N(CC#N)CC(=O)[O-])ccc21	ZINC001600919370	1168507649	/nfs/dbraw/zinc/50/76/49/1168507649.db2.gz	UEHZTWXQMXASRY-UHFFFAOYSA-N	-1	0	302.290	0.116	20	30		DCEDRM
Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CCSC[C@@H]1C#N	ZINC001600940453	1168521773	/nfs/dbraw/zinc/52/17/73/1168521773.db2.gz	SCHLUIBQVFUIJM-VIFPVBQESA-N	-1	0	315.376	0.353	20	30		DCEDRM
Cn1ccnc1[C@@H](CC(=O)N(CC#N)CC(=O)[O-])C(F)(F)F	ZINC001600980180	1168542960	/nfs/dbraw/zinc/54/29/60/1168542960.db2.gz	DUKDCVABFSPDJI-MRVPVSSYSA-N	-1	0	318.255	0.893	20	30		DCEDRM
N#CC1(CC(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)CCOCC1	ZINC001601055360	1168578152	/nfs/dbraw/zinc/57/81/52/1168578152.db2.gz	WNEOKTIJZXVPKB-NSHDSACASA-N	-1	0	324.333	0.316	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)Nc2cc(C(=O)[O-])cnc2Cl)CC1	ZINC001601056543	1168578290	/nfs/dbraw/zinc/57/82/90/1168578290.db2.gz	NRWWOIUSTRAUMZ-UHFFFAOYSA-N	-1	0	322.708	0.792	20	30		DCEDRM
N#CC[C@@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])c1ccccc1	ZINC001601060678	1168579307	/nfs/dbraw/zinc/57/93/07/1168579307.db2.gz	LJROEBCAWPYOPC-CHWSQXEVSA-N	-1	0	313.317	0.545	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])CC1	ZINC001601058141	1168579342	/nfs/dbraw/zinc/57/93/42/1168579342.db2.gz	NFZGHTSZTLNLDN-UWVGGRQHSA-N	-1	0	302.352	0.232	20	30		DCEDRM
N#CCCCCS(=O)(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001601066030	1168580420	/nfs/dbraw/zinc/58/04/20/1168580420.db2.gz	YMMRGALZJCLHOP-QWRGUYRKSA-N	-1	0	304.368	0.337	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CCC2(CCC2)O1	ZINC001601072595	1168581567	/nfs/dbraw/zinc/58/15/67/1168581567.db2.gz	UFKVLPDNEDRTMR-JTQLQIEISA-N	-1	0	302.352	0.328	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@]1([C@@H]2CCCCO2)CCCO1	ZINC001601072727	1168581617	/nfs/dbraw/zinc/58/16/17/1168581617.db2.gz	VMIWBYIYXYVXAY-WFASDCNBSA-N	-1	0	310.350	0.932	20	30		DCEDRM
N#CCOc1cccc(CNS(=O)(=O)CCCC(=O)[O-])c1	ZINC001601075658	1168582223	/nfs/dbraw/zinc/58/22/23/1168582223.db2.gz	MOIHQABBAXPHND-UHFFFAOYSA-N	-1	0	312.347	0.873	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001601076013	1168582394	/nfs/dbraw/zinc/58/23/94/1168582394.db2.gz	USVYCOTWPZEXRV-WDEREUQCSA-N	-1	0	304.302	0.497	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC001601078405	1168582723	/nfs/dbraw/zinc/58/27/23/1168582723.db2.gz	LEMYXOGZYSBDLS-LBPRGKRZSA-N	-1	0	324.358	0.617	20	30		DCEDRM
N#C[C@]12CN(Cc3ccccc3C(=O)[O-])C[C@@H]1CS(=O)(=O)C2	ZINC001601080076	1168582797	/nfs/dbraw/zinc/58/27/97/1168582797.db2.gz	VJRNESYRXCBGGF-IUODEOHRSA-N	-1	0	320.370	0.755	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CC[C@H]2C(=O)[O-])cc1	ZINC001601094335	1168583998	/nfs/dbraw/zinc/58/39/98/1168583998.db2.gz	RKGCGVTTXFOWRI-NEPJUHHUSA-N	-1	0	301.302	0.267	20	30		DCEDRM
N#Cc1ccc(Br)c(OCC(=O)NCC(=O)[O-])c1	ZINC001601093428	1168584195	/nfs/dbraw/zinc/58/41/95/1168584195.db2.gz	YKPAGOZAWGFDHI-UHFFFAOYSA-N	-1	0	313.107	0.900	20	30		DCEDRM
N#Cc1ccc(C2(C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)CC2)cc1	ZINC001601099878	1168584540	/nfs/dbraw/zinc/58/45/40/1168584540.db2.gz	WICGKONPYWLCGU-OCCSQVGLSA-N	-1	0	314.341	0.884	20	30		DCEDRM
N#Cc1ccc(CC(=O)N[C@@H](CC2OCCO2)C(=O)[O-])cc1	ZINC001601098561	1168584739	/nfs/dbraw/zinc/58/47/39/1168584739.db2.gz	PTZGCZLOPLHQOS-LBPRGKRZSA-N	-1	0	304.302	0.433	20	30		DCEDRM
N#Cc1ccc(COC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)nc1	ZINC001601102679	1168585138	/nfs/dbraw/zinc/58/51/38/1168585138.db2.gz	VYIGVWUWGSGNKH-GFCCVEGCSA-N	-1	0	317.301	0.320	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CN2C[C@@H](F)C[C@H]2C(=O)[O-])cc1	ZINC001601100559	1168585596	/nfs/dbraw/zinc/58/55/96/1168585596.db2.gz	PUFWGRSTEBAMQH-STQMWFEESA-N	-1	0	305.309	0.671	20	30		DCEDRM
N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cn1	ZINC001601107816	1168586139	/nfs/dbraw/zinc/58/61/39/1168586139.db2.gz	LOCOFRBNPIQAJL-XXUGLENDSA-N	-1	0	300.318	0.758	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)nc1	ZINC001601107765	1168586512	/nfs/dbraw/zinc/58/65/12/1168586512.db2.gz	IYVWXPNNYLEZSI-XYPYZODXSA-N	-1	0	303.322	0.528	20	30		DCEDRM
N#Cc1ccc(OCC(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)cc1	ZINC001601110344	1168586712	/nfs/dbraw/zinc/58/67/12/1168586712.db2.gz	UCLMTAXICBSFLG-OCCSQVGLSA-N	-1	0	318.329	0.791	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)[C@H]2CCS(=O)(=O)C2)C(=O)[O-])c1	ZINC001601118712	1168587084	/nfs/dbraw/zinc/58/70/84/1168587084.db2.gz	NYEBNKKJEZYXAT-RYUDHWBXSA-N	-1	0	323.326	0.662	20	30		DCEDRM
N#Cc1cccc(ON2C(=O)[C@H]3CC[C@H](C(=O)[O-])CN3C2=O)c1	ZINC001601123748	1168588424	/nfs/dbraw/zinc/58/84/24/1168588424.db2.gz	RHSMUCXJTJRJKX-CMPLNLGQSA-N	-1	0	315.285	0.979	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1	ZINC001601123018	1168588560	/nfs/dbraw/zinc/58/85/60/1168588560.db2.gz	VTIHEQWEBVPOKE-UKRRQHHQSA-N	-1	0	317.345	0.084	20	30		DCEDRM
N#Cc1ccncc1N1CCN(C(=O)NC[C@H](F)C(=O)[O-])CC1	ZINC001601128672	1168589151	/nfs/dbraw/zinc/58/91/51/1168589151.db2.gz	SBYOALXGNOCZSU-NSHDSACASA-N	-1	0	321.312	0.208	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001601128508	1168589752	/nfs/dbraw/zinc/58/97/52/1168589752.db2.gz	QQDHZOUVPNSHMZ-MNOVXSKESA-N	-1	0	304.306	0.114	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001601126225	1168590487	/nfs/dbraw/zinc/59/04/87/1168590487.db2.gz	ZMDHBBCRYPFXPJ-NSHDSACASA-N	-1	0	320.301	0.269	20	30		DCEDRM
N#Cc1ccsc1NC(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001601129477	1168590870	/nfs/dbraw/zinc/59/08/70/1168590870.db2.gz	GJTZXCXJFLQTRY-UHFFFAOYSA-N	-1	0	310.335	0.722	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NC[C@@]12COC(=O)N1CCOC2	ZINC001601132775	1168592185	/nfs/dbraw/zinc/59/21/85/1168592185.db2.gz	HAXABIUMKJVXSR-CQSZACIVSA-N	-1	0	318.289	0.285	20	30		DCEDRM
N#Cc1csc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1	ZINC001601132146	1168592457	/nfs/dbraw/zinc/59/24/57/1168592457.db2.gz	IDHORPPWELSPCE-CQSZACIVSA-N	-1	0	322.390	0.376	20	30		DCEDRM
N#Cc1cnccc1N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001601131662	1168592834	/nfs/dbraw/zinc/59/28/34/1168592834.db2.gz	KSSKVXVVDWBBOI-RYUDHWBXSA-N	-1	0	300.318	0.323	20	30		DCEDRM
O=C(C#CC1CC1)NCCCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1	ZINC001601223560	1168666376	/nfs/dbraw/zinc/66/63/76/1168666376.db2.gz	JONLDFOXONGNSV-KGLIPLIRSA-N	-1	0	318.373	0.618	20	30		DCEDRM
O=C([O-])C1(O)CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1	ZINC001601239066	1168672965	/nfs/dbraw/zinc/67/29/65/1168672965.db2.gz	SEVVXCUMOWRRFW-ZZXKWVIFSA-N	-1	0	321.304	0.846	20	30		DCEDRM
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCC#C[C@@H]1CCCCO1	ZINC001601449084	1168751330	/nfs/dbraw/zinc/75/13/30/1168751330.db2.gz	VZLOQTVXMMHDDO-FRRDWIJNSA-N	-1	0	310.350	0.348	20	30		DCEDRM
O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)C#CC2CC2)CC1	ZINC001601779154	1168884829	/nfs/dbraw/zinc/88/48/29/1168884829.db2.gz	OMVHTZIFSURKIF-STQMWFEESA-N	-1	0	304.346	0.181	20	30		DCEDRM
O=C([O-])[C@@H]1CN(C(=O)NCC#CCO)C[C@H]1c1ccccc1	ZINC001602184677	1169019910	/nfs/dbraw/zinc/01/99/10/1169019910.db2.gz	QHNODUCCRZPDST-UONOGXRCSA-N	-1	0	302.330	0.492	20	30		DCEDRM
O=C([O-])c1cnc(C2CCN(C(=O)NCC#CCO)CC2)s1	ZINC001602515576	1169102709	/nfs/dbraw/zinc/10/27/09/1169102709.db2.gz	VFELXLATBFFRFP-UHFFFAOYSA-N	-1	0	323.374	0.726	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC001602670336	1169156008	/nfs/dbraw/zinc/15/60/08/1169156008.db2.gz	CVBKDLPAKJRIQP-SECBINFHSA-N	-1	0	304.302	0.860	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC001602681623	1169156686	/nfs/dbraw/zinc/15/66/86/1169156686.db2.gz	PFLGJMRXYVHIFC-AWEZNQCLSA-N	-1	0	302.330	0.971	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])[C@@H]1CCCO1	ZINC001602678413	1169156834	/nfs/dbraw/zinc/15/68/34/1169156834.db2.gz	MWOYWESBWJPAOF-NEPJUHHUSA-N	-1	0	309.343	0.844	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	ZINC001602677258	1169156954	/nfs/dbraw/zinc/15/69/54/1169156954.db2.gz	SBHOEXYUFMUOGT-BUWBCJGYSA-N	-1	0	304.346	0.228	20	30		DCEDRM
C#CC[C@H](COC)N1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O	ZINC001602683139	1169158353	/nfs/dbraw/zinc/15/83/53/1169158353.db2.gz	JGOKVNUIFTUMME-LOIXOFCESA-N	-1	0	308.334	0.590	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)[O-]	ZINC001602685342	1169158609	/nfs/dbraw/zinc/15/86/09/1169158609.db2.gz	RUHPCCJYOHNHBN-KBPBESRZSA-N	-1	0	314.341	0.884	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)C(=O)[O-]	ZINC001602693421	1169161896	/nfs/dbraw/zinc/16/18/96/1169161896.db2.gz	SWLZZZGSMSDIEY-GFCCVEGCSA-N	-1	0	309.343	0.438	20	30		DCEDRM
C#CCC1(NC(=O)CCc2ocnc2C(=O)[O-])CCOCC1	ZINC001602698877	1169164061	/nfs/dbraw/zinc/16/40/61/1169164061.db2.gz	ZEVUSLGULYIITM-UHFFFAOYSA-N	-1	0	306.318	0.994	20	30		DCEDRM
C#CCC1(O)CCN(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1	ZINC001602699318	1169164580	/nfs/dbraw/zinc/16/45/80/1169164580.db2.gz	AVWUGQJPVBDHGA-JSGCOSHPSA-N	-1	0	310.394	0.452	20	30		DCEDRM
C#CCCCCCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001602702514	1169165590	/nfs/dbraw/zinc/16/55/90/1169165590.db2.gz	FNFWVGWKNJURMD-KGLIPLIRSA-N	-1	0	320.389	0.960	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)[C@H]1C	ZINC001602701719	1169166039	/nfs/dbraw/zinc/16/60/39/1169166039.db2.gz	UNXSIERQLPLHPP-VXGBXAGGSA-N	-1	0	316.361	0.802	20	30		DCEDRM
C#CCCS(=O)(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1	ZINC001602711841	1169168650	/nfs/dbraw/zinc/16/86/50/1169168650.db2.gz	WCKWBOKHLKUXCN-UHFFFAOYSA-N	-1	0	315.391	0.421	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)Cc2ccc(C(=O)[O-])nc2)C1	ZINC001602720963	1169169962	/nfs/dbraw/zinc/16/99/62/1169169962.db2.gz	NZTSERGLEPNERE-CYBMUJFWSA-N	-1	0	301.346	0.536	20	30		DCEDRM
C#CCSCCNC(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001602734755	1169176140	/nfs/dbraw/zinc/17/61/40/1169176140.db2.gz	ZRAKZAXHMZQXFP-SNVBAGLBSA-N	-1	0	302.421	0.812	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)nc1	ZINC001602740200	1169176217	/nfs/dbraw/zinc/17/62/17/1169176217.db2.gz	ZPDDRMUFCOBHIN-MNOVXSKESA-N	-1	0	302.286	0.009	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(=O)[O-]	ZINC001602749840	1169177795	/nfs/dbraw/zinc/17/77/95/1169177795.db2.gz	ZVRGSNSAHWEZAO-JAPZVGMSSA-N	-1	0	309.318	0.243	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1cn(-c2cccnc2)nn1)C(=O)[O-]	ZINC001602754364	1169180053	/nfs/dbraw/zinc/18/00/53/1169180053.db2.gz	HDOZJNZPBDGONW-NSHDSACASA-N	-1	0	301.306	0.812	20	30		DCEDRM
C=C(C)Cn1cc(CN2CCOCC2)cc(-c2nnn[n-]2)c1=O	ZINC001602769865	1169181831	/nfs/dbraw/zinc/18/18/31/1169181831.db2.gz	OXRQJEFIUDPVHW-UHFFFAOYSA-N	-1	0	316.365	0.437	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001602762241	1169181849	/nfs/dbraw/zinc/18/18/49/1169181849.db2.gz	AJESYGFZPLJFHU-LPWJVIDDSA-N	-1	0	324.377	0.311	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(C(=O)c2cccnc2)CC1	ZINC001602777746	1169182533	/nfs/dbraw/zinc/18/25/33/1169182533.db2.gz	CPNHVWCCJJIUDE-UHFFFAOYSA-N	-1	0	317.345	0.787	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O	ZINC001602781839	1169182661	/nfs/dbraw/zinc/18/26/61/1169182661.db2.gz	DEQUIINJSCXNGG-GFCCVEGCSA-N	-1	0	310.350	0.304	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCCN(C)c1ncc(C(=O)[O-])cn1	ZINC001602809492	1169185970	/nfs/dbraw/zinc/18/59/70/1169185970.db2.gz	HSEZYKSAOLRQTK-AWEZNQCLSA-N	-1	0	308.338	0.054	20	30		DCEDRM
C=CC(C)(C)CNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001602807438	1169186235	/nfs/dbraw/zinc/18/62/35/1169186235.db2.gz	KIFQQHKMTDEMGK-UHFFFAOYSA-N	-1	0	322.365	0.970	20	30		DCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC001602829231	1169190933	/nfs/dbraw/zinc/19/09/33/1169190933.db2.gz	XZCWTTAJOKNIEJ-XHDPSFHLSA-N	-1	0	310.350	0.256	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001602857029	1169193932	/nfs/dbraw/zinc/19/39/32/1169193932.db2.gz	LVDMDKKJMXNRKI-SNVBAGLBSA-N	-1	0	324.308	0.906	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])nn1	ZINC001602884608	1169197981	/nfs/dbraw/zinc/19/79/81/1169197981.db2.gz	LEHNUEJQRMJLPY-JTQLQIEISA-N	-1	0	321.362	0.736	20	30		DCEDRM
C=CCCSCCNC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001602881253	1169198738	/nfs/dbraw/zinc/19/87/38/1169198738.db2.gz	XJCACRZDFLVKED-UHFFFAOYSA-N	-1	0	310.375	0.972	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001602890232	1169200908	/nfs/dbraw/zinc/20/09/08/1169200908.db2.gz	WTHVHWVALCPUOY-JTQLQIEISA-N	-1	0	301.306	0.076	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001602906768	1169201461	/nfs/dbraw/zinc/20/14/61/1169201461.db2.gz	MYEMYIVAMGNATB-NSHDSACASA-N	-1	0	306.322	0.072	20	30		DCEDRM
C=CCNc1ncc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)s1	ZINC001602904537	1169201474	/nfs/dbraw/zinc/20/14/74/1169201474.db2.gz	BSDDQENEDNDMHH-ZDUSSCGKSA-N	-1	0	311.363	0.962	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C)C(=O)[O-]	ZINC001602910216	1169203184	/nfs/dbraw/zinc/20/31/84/1169203184.db2.gz	QUIYTBDBSCSHOE-ICCXJUOJSA-N	-1	0	307.350	0.848	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-]	ZINC001602915345	1169204986	/nfs/dbraw/zinc/20/49/86/1169204986.db2.gz	LBVAGZVFGFBHQT-SSDOTTSWSA-N	-1	0	323.758	0.008	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001602939963	1169214229	/nfs/dbraw/zinc/21/42/29/1169214229.db2.gz	DLVYJSSFBCFQMX-IFUGULHKSA-N	-1	0	323.349	0.735	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001602939962	1169215122	/nfs/dbraw/zinc/21/51/22/1169215122.db2.gz	DLVYJSSFBCFQMX-GMXABZIVSA-N	-1	0	323.349	0.735	20	30		DCEDRM
CC(=O)OC1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001602958521	1169219596	/nfs/dbraw/zinc/21/95/96/1169219596.db2.gz	WBNZGAOVNADTIT-UHFFFAOYSA-N	-1	0	314.309	0.060	20	30		DCEDRM
C[C@H](C#N)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[nH]n2)nc1	ZINC001602982247	1169223085	/nfs/dbraw/zinc/22/30/85/1169223085.db2.gz	SOWJSGZKJVVFNT-ZJUUUORDSA-N	-1	0	314.353	0.680	20	30		DCEDRM
C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)N(C)C(=O)[C@@H](C)C#N	ZINC001602982246	1169224282	/nfs/dbraw/zinc/22/42/82/1169224282.db2.gz	SOWJSGZKJVVFNT-VHSXEESVSA-N	-1	0	314.353	0.680	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC001603130658	1169250001	/nfs/dbraw/zinc/25/00/01/1169250001.db2.gz	ZGBUBNNJGWVZAA-JTQLQIEISA-N	-1	0	319.317	0.754	20	30		DCEDRM
C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)n1cnc(C#N)n1	ZINC001603154144	1169259137	/nfs/dbraw/zinc/25/91/37/1169259137.db2.gz	YFLLDNOXDUIUJF-PRHODGIISA-N	-1	0	317.280	0.792	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC001603575655	1169328946	/nfs/dbraw/zinc/32/89/46/1169328946.db2.gz	APEAOIZVPASTHQ-NSHDSACASA-N	-1	0	309.366	0.660	20	30		DCEDRM
CC(C)(CNC(=O)C(=O)N1CCC[C@@](C)(C#N)C1)CC(=O)[O-]	ZINC001603619017	1169334174	/nfs/dbraw/zinc/33/41/74/1169334174.db2.gz	UFRSOPXVHHZACW-HNNXBMFYSA-N	-1	0	309.366	0.756	20	30		DCEDRM
C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001603831027	1169406212	/nfs/dbraw/zinc/40/62/12/1169406212.db2.gz	SQQLBNIZDHXACL-RQJHMYQMSA-N	-1	0	314.309	0.405	20	30		DCEDRM
CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001603856386	1169415544	/nfs/dbraw/zinc/41/55/44/1169415544.db2.gz	GZUWBADXGGDBAB-UTUOFQBUSA-N	-1	0	319.365	0.851	20	30		DCEDRM
C[C@@](CCF)(NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC001604141373	1169504627	/nfs/dbraw/zinc/50/46/27/1169504627.db2.gz	CBECWRJBIGZIAN-NSHDSACASA-N	-1	0	301.299	0.434	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001604483777	1169600710	/nfs/dbraw/zinc/60/07/10/1169600710.db2.gz	XFSSYFHHXBXSIV-ZETOZRRWSA-N	-1	0	307.350	0.508	20	30		DCEDRM
C[C@@H]1CN(C(=O)CCc2ocnc2C(=O)[O-])C[C@H](C)N1CC#N	ZINC001604768821	1169675662	/nfs/dbraw/zinc/67/56/62/1169675662.db2.gz	IMSQPTWEBWWMNY-PHIMTYICSA-N	-1	0	320.349	0.750	20	30		DCEDRM
CC[C@H](C(=O)N(CC#N)CCC(=O)[O-])N1CCO[C@@H](CC)C1	ZINC001605172993	1169856774	/nfs/dbraw/zinc/85/67/74/1169856774.db2.gz	JJNLLKDVYBDLNK-QWHCGFSZSA-N	-1	0	311.382	0.703	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC001605438755	1169921456	/nfs/dbraw/zinc/92/14/56/1169921456.db2.gz	MQXBSLOMJXXDNY-JTQLQIEISA-N	-1	0	317.392	0.944	20	30		DCEDRM
CCN(CCOC)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001605450100	1169925799	/nfs/dbraw/zinc/92/57/99/1169925799.db2.gz	SJWCBKGQCAAYHL-UHFFFAOYSA-N	-1	0	312.347	0.913	20	30		DCEDRM
Cc1cc(-c2nn[nH]n2)nc(NCCNC(=O)C#CC(C)C)n1	ZINC001605579243	1169963967	/nfs/dbraw/zinc/96/39/67/1169963967.db2.gz	SIYKZLBWMLVKCZ-UHFFFAOYSA-N	-1	0	314.353	0.153	20	30		DCEDRM
Cc1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c(=O)[nH]1	ZINC001605823198	1170008965	/nfs/dbraw/zinc/00/89/65/1170008965.db2.gz	JEWGARHQWYUREH-UHFFFAOYSA-N	-1	0	311.265	0.123	20	30		DCEDRM
CCn1c(CC(C)(C)C#N)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001605907809	1170025581	/nfs/dbraw/zinc/02/55/81/1170025581.db2.gz	LJNDIZAFZHCWJI-JTQLQIEISA-N	-1	0	307.354	0.680	20	30		DCEDRM
Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)NCc1ccco1	ZINC001606023660	1170054597	/nfs/dbraw/zinc/05/45/97/1170054597.db2.gz	BFPPMKOLUPFCDI-UHFFFAOYSA-N	-1	0	312.293	0.153	20	30		DCEDRM
CN(CC(=O)NCCC#N)Cc1ccc(OCC(=O)[O-])cc1	ZINC001606080830	1170071860	/nfs/dbraw/zinc/07/18/60/1170071860.db2.gz	SJFBUGADHUOJJL-UHFFFAOYSA-N	-1	0	305.334	0.612	20	30		DCEDRM
CN(CCC#N)C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001606119432	1170080769	/nfs/dbraw/zinc/08/07/69/1170080769.db2.gz	ZTTUUTARUSLEIX-UHFFFAOYSA-N	-1	0	319.273	0.424	20	30		DCEDRM
CN(CCCNc1ccc(C#N)nc1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001606122819	1170085387	/nfs/dbraw/zinc/08/53/87/1170085387.db2.gz	YCFXOVTUPHCDKO-OLZOCXBDSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#C[C@@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)cc1F	ZINC001606344905	1170163118	/nfs/dbraw/zinc/16/31/18/1170163118.db2.gz	BSOVWJKJUPBMJY-SECBINFHSA-N	-1	0	302.269	0.370	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H](O)c2ccccc2)[n-]c1-c1nn[nH]n1	ZINC001606355867	1170168627	/nfs/dbraw/zinc/16/86/27/1170168627.db2.gz	UBOKNPFVJRRPJV-SNVBAGLBSA-N	-1	0	310.277	0.134	20	30		DCEDRM
COC(=O)C1CCC(NC(=O)c2ccc(C#N)[nH]2)(C(=O)[O-])CC1	ZINC001606396651	1170184084	/nfs/dbraw/zinc/18/40/84/1170184084.db2.gz	LEGFZLGEYOLRPL-UHFFFAOYSA-N	-1	0	319.317	0.803	20	30		DCEDRM
COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)C[C@@H]1C(=O)[O-]	ZINC001606431289	1170198307	/nfs/dbraw/zinc/19/83/07/1170198307.db2.gz	JJBUVXZYDKYWTC-QWRGUYRKSA-N	-1	0	319.273	0.776	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN1CC(=O)N[C@](C)(C#N)C(C)C	ZINC001606833793	1170307100	/nfs/dbraw/zinc/30/71/00/1170307100.db2.gz	VRLUGPXDYSCDJX-CABCVRRESA-N	-1	0	311.382	0.606	20	30		DCEDRM
COc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)O[C@H]1CNOC1	ZINC001607168597	1170411986	/nfs/dbraw/zinc/41/19/86/1170411986.db2.gz	DWGYUZPCDOFZMO-LURJTMIESA-N	-1	0	321.282	0.141	20	30		DCEDRM
COc1cc(NC(=O)NCC(=O)NCC#N)ccc1C(=O)[O-]	ZINC001607176464	1170412768	/nfs/dbraw/zinc/41/27/68/1170412768.db2.gz	OMSXPQPSLNHIOS-UHFFFAOYSA-N	-1	0	306.278	0.155	20	30		DCEDRM
Cc1c(C(=O)N(CC#N)CCC(=O)[O-])cnn1C1CCOCC1	ZINC001607503567	1170468407	/nfs/dbraw/zinc/46/84/07/1170468407.db2.gz	FAGGOUXTVMQJGE-UHFFFAOYSA-N	-1	0	320.349	0.984	20	30		DCEDRM
Cc1cc(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)ncn1	ZINC001607642335	1170488881	/nfs/dbraw/zinc/48/88/81/1170488881.db2.gz	IKEWCWADXRKIRG-UHFFFAOYSA-N	-1	0	303.322	0.685	20	30		DCEDRM
Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@](C)(C#N)C1	ZINC001608101835	1170572348	/nfs/dbraw/zinc/57/23/48/1170572348.db2.gz	GARRISPRGYGXCM-LBPRGKRZSA-N	-1	0	313.335	0.026	20	30		DCEDRM
Cn1cnc(-c2ccc(C(=O)N(CC#N)CCC(=O)[O-])cc2)n1	ZINC001608131682	1170587058	/nfs/dbraw/zinc/58/70/58/1170587058.db2.gz	BXEDNZJWQDHSIU-UHFFFAOYSA-N	-1	0	313.317	0.923	20	30		DCEDRM
Cn1ncc(Br)c1C(=O)N(CC#N)CC(=O)[O-]	ZINC001608153565	1170599003	/nfs/dbraw/zinc/59/90/03/1170599003.db2.gz	PPGLMSYBYOCLMI-UHFFFAOYSA-N	-1	0	301.100	0.233	20	30		DCEDRM
N#CC1(CNC(=O)NCc2ncc(C(=O)[O-])s2)CCOCC1	ZINC001608175029	1170609057	/nfs/dbraw/zinc/60/90/57/1170609057.db2.gz	LUTSOZIHHRMHST-UHFFFAOYSA-N	-1	0	324.362	0.961	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)CCC1	ZINC001608176011	1170609093	/nfs/dbraw/zinc/60/90/93/1170609093.db2.gz	RUTNJVWMGDIQOW-NSHDSACASA-N	-1	0	304.393	0.560	20	30		DCEDRM
N#C[C@]1(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])CCCOC1	ZINC001608172676	1170609325	/nfs/dbraw/zinc/60/93/25/1170609325.db2.gz	ZVLMYQIIIAZAST-ZWNOBZJWSA-N	-1	0	309.347	0.575	20	30		DCEDRM
N#CCCCCNC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC001608180389	1170610280	/nfs/dbraw/zinc/61/02/80/1170610280.db2.gz	MTUXKTVXWPXQIL-GFCCVEGCSA-N	-1	0	309.366	0.900	20	30		DCEDRM
N#CCC1(CNC(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CC1	ZINC001608177793	1170610635	/nfs/dbraw/zinc/61/06/35/1170610635.db2.gz	DXPUMIOPKIXXLN-LLVKDONJSA-N	-1	0	307.350	0.414	20	30		DCEDRM
N#CCCn1ccc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1	ZINC001608183506	1170611245	/nfs/dbraw/zinc/61/12/45/1170611245.db2.gz	OJLJCEIYQZNVKW-UWVGGRQHSA-N	-1	0	307.310	0.096	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCCO2	ZINC001608184216	1170611855	/nfs/dbraw/zinc/61/18/55/1170611855.db2.gz	RZTYODLHSKYQEQ-UHFFFAOYSA-N	-1	0	310.331	0.610	20	30		DCEDRM
N#CCC1CN(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1	ZINC001608181872	1170611882	/nfs/dbraw/zinc/61/18/82/1170611882.db2.gz	PKKCMOZFYWPXRK-UHFFFAOYSA-N	-1	0	316.317	0.878	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccnc(NC(=O)C2CC2)c1	ZINC001608184603	1170611943	/nfs/dbraw/zinc/61/19/43/1170611943.db2.gz	YNTWSPJHJWGWPV-UHFFFAOYSA-N	-1	0	302.290	0.480	20	30		DCEDRM
N#CCn1c(=O)c2ccccc2nc1CN1CC2CC1(C(=O)[O-])C2	ZINC001608190351	1170612475	/nfs/dbraw/zinc/61/24/75/1170612475.db2.gz	PAZAUZMOIFSIBG-UHFFFAOYSA-N	-1	0	324.340	0.969	20	30		DCEDRM
N#Cc1cc(C(F)(F)F)cc(NCC(=O)NCC(=O)[O-])n1	ZINC001608196423	1170613609	/nfs/dbraw/zinc/61/36/09/1170613609.db2.gz	VFVCMFWCWUBJCT-UHFFFAOYSA-N	-1	0	302.212	0.585	20	30		DCEDRM
N#CCc1ccnc(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c1	ZINC001608189207	1170612984	/nfs/dbraw/zinc/61/29/84/1170612984.db2.gz	HVLKTZPUVPUTGL-ZYHUDNBSSA-N	-1	0	304.306	0.759	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)ccc1F	ZINC001608198281	1170613878	/nfs/dbraw/zinc/61/38/78/1170613878.db2.gz	XNKMRIOITVQPSN-UHFFFAOYSA-N	-1	0	317.276	0.711	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)NCc2ocnc2C(=O)[O-])cc1	ZINC001608202372	1170614859	/nfs/dbraw/zinc/61/48/59/1170614859.db2.gz	PFSLYEKGTPRCDJ-GFCCVEGCSA-N	-1	0	301.258	0.594	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)c2ccc(C(=O)[O-])[nH]2)C(N)=O)cc1	ZINC001608203389	1170615302	/nfs/dbraw/zinc/61/53/02/1170615302.db2.gz	JVGDFVJSCULYNV-LBPRGKRZSA-N	-1	0	313.269	0.968	20	30		DCEDRM
N#Cc1cccc([C@@H](C(=O)[O-])N2CCN3C(=O)OC[C@@H]3C2)c1	ZINC001608215959	1170617236	/nfs/dbraw/zinc/61/72/36/1170617236.db2.gz	UOIJJZKUPAFLBR-STQMWFEESA-N	-1	0	301.302	0.820	20	30		DCEDRM
N#Cc1ccccc1OC[C@@H](O)CN1CCO[C@H](C(=O)[O-])C1	ZINC001608219096	1170618355	/nfs/dbraw/zinc/61/83/55/1170618355.db2.gz	JMANNEYXRUZQRI-JSGCOSHPSA-N	-1	0	306.318	0.083	20	30		DCEDRM
N#Cc1ccnc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c1	ZINC001608221563	1170618482	/nfs/dbraw/zinc/61/84/82/1170618482.db2.gz	JWCQKFIMCDOFMZ-CQSZACIVSA-N	-1	0	300.274	0.399	20	30		DCEDRM
N#Cc1ccccc1OCCN1[C@@H](C(=O)[O-])CCS1(=O)=O	ZINC001608219437	1170618582	/nfs/dbraw/zinc/61/85/82/1170618582.db2.gz	VVIGMNMMXSYWPY-LLVKDONJSA-N	-1	0	310.331	0.426	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)[C@@H]1CCCO1	ZINC001609054344	1170793031	/nfs/dbraw/zinc/79/30/31/1170793031.db2.gz	HMZHBALBDHSHNF-RWMBFGLXSA-N	-1	0	310.350	0.034	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001609057894	1170794284	/nfs/dbraw/zinc/79/42/84/1170794284.db2.gz	IWTITXVPAVWINI-SNVBAGLBSA-N	-1	0	313.306	0.547	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC001609054454	1170794356	/nfs/dbraw/zinc/79/43/56/1170794356.db2.gz	KRRMMZAAPAHQLU-MFKMUULPSA-N	-1	0	316.313	0.345	20	30		DCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1ccccc1-c1nn[nH]n1	ZINC001609061065	1170796338	/nfs/dbraw/zinc/79/63/38/1170796338.db2.gz	AHPQCGGBXVVLKO-UHFFFAOYSA-N	-1	0	311.309	0.902	20	30		DCEDRM
C[C@H](C(=O)Nc1ccc(CC#N)cc1)n1cnc(-c2nnn[n-]2)n1	ZINC001609070805	1170798437	/nfs/dbraw/zinc/79/84/37/1170798437.db2.gz	XNNIHXAZTBGCJZ-SECBINFHSA-N	-1	0	323.320	0.724	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)CC)cc1)C(=O)[O-]	ZINC001609079101	1170801534	/nfs/dbraw/zinc/80/15/34/1170801534.db2.gz	XQUXNQHOWYCRKC-LBPRGKRZSA-N	-1	0	309.343	0.687	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC001609104980	1170810823	/nfs/dbraw/zinc/81/08/23/1170810823.db2.gz	BARJLPYCNWHBOF-ZDUSSCGKSA-N	-1	0	320.345	0.724	20	30		DCEDRM
C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)N(C)CCC#N	ZINC001609132200	1170823237	/nfs/dbraw/zinc/82/32/37/1170823237.db2.gz	MIEUAXMYYKKSSM-MRVPVSSYSA-N	-1	0	318.293	0.377	20	30		DCEDRM
COCC1(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CC1	ZINC001609318646	1170932377	/nfs/dbraw/zinc/93/23/77/1170932377.db2.gz	IBUDDLIGEBEBLL-UHFFFAOYSA-N	-1	0	302.298	0.217	20	30		DCEDRM
C=CCCS(=O)(=O)N1[C@@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001609346005	1170947016	/nfs/dbraw/zinc/94/70/16/1170947016.db2.gz	WEVJCYDGVZIOCT-WISYIIOYSA-N	-1	0	303.380	0.987	20	30		DCEDRM
Cc1cc(OC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)ccc1C#N	ZINC001609410579	1170970627	/nfs/dbraw/zinc/97/06/27/1170970627.db2.gz	ZUECIOZVKGVKHA-VIFPVBQESA-N	-1	0	324.304	0.805	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(-n2cncn2)nc1)C(=O)[O-]	ZINC001609443069	1170979135	/nfs/dbraw/zinc/97/91/35/1170979135.db2.gz	QLCJIWWQZZEZRU-LLVKDONJSA-N	-1	0	317.305	0.048	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(-c2cccnc2)c1)C(=O)[O-]	ZINC001609442695	1170979316	/nfs/dbraw/zinc/97/93/16/1170979316.db2.gz	BMQZQXJSPGVOPP-CYBMUJFWSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c([N+](=O)[O-])c(C)nn1C)C(=O)[O-]	ZINC001609442864	1170979365	/nfs/dbraw/zinc/97/93/65/1170979365.db2.gz	IPJPRCVKOGVWKL-QMMMGPOBSA-N	-1	0	312.282	0.022	20	30		DCEDRM
C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001609470295	1170989639	/nfs/dbraw/zinc/98/96/39/1170989639.db2.gz	NFUXJBGWRYXYKO-IJLUTSLNSA-N	-1	0	322.365	0.646	20	30		DCEDRM
CC#CC(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-]	ZINC001609488791	1170995020	/nfs/dbraw/zinc/99/50/20/1170995020.db2.gz	MCVTWKBKGUVFGK-LLVKDONJSA-N	-1	0	310.350	0.932	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC001609488515	1170995088	/nfs/dbraw/zinc/99/50/88/1170995088.db2.gz	CXMBFTSVCDCQIQ-UHFFFAOYSA-N	-1	0	318.329	0.879	20	30		DCEDRM
CC(=O)N1CC(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC001609584496	1171028547	/nfs/dbraw/zinc/02/85/47/1171028547.db2.gz	VYSJXUHKPFWYKA-CYBMUJFWSA-N	-1	0	302.286	0.705	20	30		DCEDRM
CC(=O)N[C@@H](CSC[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001609622773	1171053481	/nfs/dbraw/zinc/05/34/81/1171053481.db2.gz	NHKAIFLGJSGGQZ-QWHCGFSZSA-N	-1	0	308.359	0.914	20	30		DCEDRM
CC(C)CN1C[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1=O	ZINC001609698957	1171069668	/nfs/dbraw/zinc/06/96/68/1171069668.db2.gz	KZZFYEAXEZMCGS-GFCCVEGCSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[C@@H](F)C(=O)[O-])C1=O	ZINC001609826333	1171096233	/nfs/dbraw/zinc/09/62/33/1171096233.db2.gz	HVMVLMFSHJKMCJ-QMTHXVAHSA-N	-1	0	305.265	0.748	20	30		DCEDRM
CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C#N)C1	ZINC001610079918	1171150998	/nfs/dbraw/zinc/15/09/98/1171150998.db2.gz	YZPRHMZIZUBMDT-MRVPVSSYSA-N	-1	0	314.319	0.453	20	30		DCEDRM
CN1c2ccc(C(=O)N(CC#N)CC(=O)[O-])cc2CCC1=O	ZINC001610128091	1171164766	/nfs/dbraw/zinc/16/47/66/1171164766.db2.gz	NMGJNJLTHDTXQT-UHFFFAOYSA-N	-1	0	301.302	0.646	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccccc1C#N	ZINC001610153350	1171179710	/nfs/dbraw/zinc/17/97/10/1171179710.db2.gz	QDGIHPYDJCYVNA-MWLCHTKSSA-N	-1	0	320.301	0.458	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H](C(=O)[O-])C1	ZINC001610169349	1171185201	/nfs/dbraw/zinc/18/52/01/1171185201.db2.gz	ORMQAOYDBIKHJT-ZIAGYGMSSA-N	-1	0	315.325	0.903	20	30		DCEDRM
COC(CN(CCC(=O)[O-])C(=O)c1ncc(C#N)cc1C)OC	ZINC001610224029	1171200132	/nfs/dbraw/zinc/20/01/32/1171200132.db2.gz	ISLWZUCWGDSUJS-UHFFFAOYSA-N	-1	0	321.333	0.798	20	30		DCEDRM
COc1cc(NC(=O)C(=O)NC[C@H](C)C#N)ccc1C(=O)[O-]	ZINC001610300824	1171218231	/nfs/dbraw/zinc/21/82/31/1171218231.db2.gz	XMPFBJSGWBNGMD-MRVPVSSYSA-N	-1	0	305.290	0.608	20	30		DCEDRM
Cc1coc(CC(=O)[O-])c1C(=O)NC1CCN(CC#N)CC1	ZINC001610543194	1171250439	/nfs/dbraw/zinc/25/04/39/1171250439.db2.gz	QDAHTIXXJMLBBH-UHFFFAOYSA-N	-1	0	305.334	0.933	20	30		DCEDRM
Cn1ncc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)n1	ZINC001610614673	1171269463	/nfs/dbraw/zinc/26/94/63/1171269463.db2.gz	WZKKAHKWMFTWFT-AWEZNQCLSA-N	-1	0	314.301	0.988	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc2nsnc2c([N+](=O)[O-])c1	ZINC001610622448	1171271544	/nfs/dbraw/zinc/27/15/44/1171271544.db2.gz	LJVJRGBFCGPBHI-UHFFFAOYSA-N	-1	0	321.274	0.650	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])CCO1	ZINC001610620773	1171271676	/nfs/dbraw/zinc/27/16/76/1171271676.db2.gz	NJZMATCWJSDSMP-SECBINFHSA-N	-1	0	314.294	0.437	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)cc1	ZINC001610628087	1171272440	/nfs/dbraw/zinc/27/24/40/1171272440.db2.gz	YRUSJMAJPHMQFW-ZFWWWQNUSA-N	-1	0	304.302	0.342	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])nc1	ZINC001610628562	1171272479	/nfs/dbraw/zinc/27/24/79/1171272479.db2.gz	JZBDALJDRCXLSV-VHSXEESVSA-N	-1	0	302.290	0.261	20	30		DCEDRM
N#Cc1ccc(C(=O)OCC(=O)NCCC(=O)[O-])cc1Cl	ZINC001610627435	1171272524	/nfs/dbraw/zinc/27/25/24/1171272524.db2.gz	HBHNLYVXFNWITR-UHFFFAOYSA-N	-1	0	310.693	0.959	20	30		DCEDRM
N#Cc1ccc(NC(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)cc1	ZINC001610629278	1171272834	/nfs/dbraw/zinc/27/28/34/1171272834.db2.gz	PURGMLZPOSRFIJ-UHFFFAOYSA-N	-1	0	322.280	0.929	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)nc1	ZINC001610627724	1171272875	/nfs/dbraw/zinc/27/28/75/1171272875.db2.gz	FXPAPJGFGXCQIG-UHFFFAOYSA-N	-1	0	318.314	0.525	20	30		DCEDRM
N#Cc1csc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1	ZINC001610633832	1171273992	/nfs/dbraw/zinc/27/39/92/1171273992.db2.gz	BCBGQLSAKNJIQS-UHFFFAOYSA-N	-1	0	303.303	0.607	20	30		DCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001623503022	1171439927	/nfs/dbraw/zinc/43/99/27/1171439927.db2.gz	APKLFWMZUHISKP-SNVBAGLBSA-N	-1	0	303.322	0.265	20	30		DCEDRM
Cc1cc(NC(=O)c2c[n-]n3c2nccc3=O)nn1CCC#N	ZINC001624282097	1171452617	/nfs/dbraw/zinc/45/26/17/1171452617.db2.gz	XSVJJGMRVDHNLV-UHFFFAOYSA-N	-1	0	311.305	0.694	20	30		DCEDRM
C=CCO[N-]C(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1	ZINC001624256332	1171453237	/nfs/dbraw/zinc/45/32/37/1171453237.db2.gz	SXPOEXKHPUGJTD-UHFFFAOYSA-N	-1	0	312.347	0.401	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)cc1	ZINC001624398854	1171454960	/nfs/dbraw/zinc/45/49/60/1171454960.db2.gz	FYSCRSGJAOIBJG-UHFFFAOYSA-N	-1	0	322.324	0.965	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)CCCc1nnn[n-]1	ZINC001626860897	1171490204	/nfs/dbraw/zinc/49/02/04/1171490204.db2.gz	IGSRHZCEJXHCFS-UHFFFAOYSA-N	-1	0	300.326	0.017	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1	ZINC001631981813	1171607324	/nfs/dbraw/zinc/60/73/24/1171607324.db2.gz	GCLOQCXNSBQPPN-KOLCDFICSA-N	-1	0	312.347	0.569	20	30		DCEDRM
C#CC1(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CCCC1	ZINC001633145052	1171634009	/nfs/dbraw/zinc/63/40/09/1171634009.db2.gz	ODCWDEMDQQWRLV-UHFFFAOYSA-N	-1	0	312.329	0.942	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H](C#N)C2CCCC2)c(=O)[n-]c1=O	ZINC001633203451	1171635526	/nfs/dbraw/zinc/63/55/26/1171635526.db2.gz	JDPHBHIYPOFILY-LLVKDONJSA-N	-1	0	301.306	0.019	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCOC1CCOCC1	ZINC001635575760	1171707294	/nfs/dbraw/zinc/70/72/94/1171707294.db2.gz	KSPCDDNCBSXHDD-UHFFFAOYSA-N	-1	0	305.334	0.893	20	30		DCEDRM
C=CCO[N-]C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O	ZINC001635640577	1171710704	/nfs/dbraw/zinc/71/07/04/1171710704.db2.gz	LLQAGQCWQAOQLF-UHFFFAOYSA-N	-1	0	313.313	0.858	20	30		DCEDRM
CCC(CC)(NC(=O)c1cccc(C#CCO)c1)c1nnn[n-]1	ZINC001635936862	1171718804	/nfs/dbraw/zinc/71/88/04/1171718804.db2.gz	KEMJPPQLEKXJHA-UHFFFAOYSA-N	-1	0	313.361	0.989	20	30		DCEDRM
CCOC(=O)CON=C(C(=O)[N-]OCCC1CC1)c1cc[nH]n1	ZINC001641446397	1171916076	/nfs/dbraw/zinc/91/60/76/1171916076.db2.gz	BWRRLBSXLDMSTE-UHFFFAOYSA-N	-1	0	324.337	0.541	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)c1	ZINC001642628637	1171953025	/nfs/dbraw/zinc/95/30/25/1171953025.db2.gz	QHJTUIQAOFSUJJ-NSHDSACASA-N	-1	0	311.301	0.744	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@H]2COC(=O)C2)CCC1	ZINC001645685478	1172101390	/nfs/dbraw/zinc/10/13/90/1172101390.db2.gz	PTFFNKCDUDGMCK-SECBINFHSA-N	-1	0	300.336	0.079	20	30		DCEDRM
CCOc1ccc(CN(C)c2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001650227687	1173523613	/nfs/dbraw/zinc/52/36/13/1173523613.db2.gz	JVMOANFFYJZUIO-UHFFFAOYSA-N	-1	0	314.345	0.980	20	30		DCEDRM
C[C@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)Oc1ccc(F)cc1	ZINC001650229796	1173525812	/nfs/dbraw/zinc/52/58/12/1173525812.db2.gz	YTQJJFAHYVPUBJ-SECBINFHSA-N	-1	0	318.308	0.964	20	30		DCEDRM
C=CCCO[N-]C(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC001651146785	1173740623	/nfs/dbraw/zinc/74/06/23/1173740623.db2.gz	GLSOPCDTGXYTHH-UHFFFAOYSA-N	-1	0	309.347	0.460	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2ccc(Cl)nc2)c(C#N)c1=O	ZINC001655238706	1173816891	/nfs/dbraw/zinc/81/68/91/1173816891.db2.gz	KIHNYZIINPWLKQ-UHFFFAOYSA-N	-1	0	305.725	0.648	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)Oc2ccccc2C#N)[n-]n1	ZINC001660386649	1173986973	/nfs/dbraw/zinc/98/69/73/1173986973.db2.gz	JJQZYHRLNXLKPT-UHFFFAOYSA-N	-1	0	307.287	0.836	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC001661470071	1174129031	/nfs/dbraw/zinc/12/90/31/1174129031.db2.gz	AXUYBPZFCORAJT-PGUXBMHVSA-N	-1	0	307.398	0.448	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N(C)[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001678129685	1175626011	/nfs/dbraw/zinc/62/60/11/1175626011.db2.gz	VOJXKUAFGXXUHI-GXSJLCMTSA-N	-1	0	324.381	0.592	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001701681505	1179118162	/nfs/dbraw/zinc/11/81/62/1179118162.db2.gz	GVGMKASJGOVVCN-KOLCDFICSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001701681504	1179118671	/nfs/dbraw/zinc/11/86/71/1179118671.db2.gz	GVGMKASJGOVVCN-GXSJLCMTSA-N	-1	0	324.381	0.233	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001725624572	1184917963	/nfs/dbraw/zinc/91/79/63/1184917963.db2.gz	JHLGMGHOLNNVES-NEPJUHHUSA-N	-1	0	305.382	0.639	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NC(=O)C#CC(C)C)c1[O-]	ZINC001725914145	1185045896	/nfs/dbraw/zinc/04/58/96/1185045896.db2.gz	KWDCKPWPXXLNMD-VHSXEESVSA-N	-1	0	306.366	0.706	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N[C@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001737655210	1187381472	/nfs/dbraw/zinc/38/14/72/1187381472.db2.gz	GECCQNFONVBUSX-MWLCHTKSSA-N	-1	0	324.381	0.639	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC(n3ccnn3)C2)cc1C#N	ZINC001771925134	1189553101	/nfs/dbraw/zinc/55/31/01/1189553101.db2.gz	PVXLRGTXDITWNF-UHFFFAOYSA-N	-1	0	316.346	0.669	20	30		DCEDRM
C#CCOCCC(=O)N[C@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001758858920	1190017145	/nfs/dbraw/zinc/01/71/45/1190017145.db2.gz	BOYGVBLPHRLAET-SNVBAGLBSA-N	-1	0	322.365	0.088	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c(C#N)c1=O	ZINC001772114935	1190610741	/nfs/dbraw/zinc/61/07/41/1190610741.db2.gz	RUMIHOSQTUNREX-FBIMIBRVSA-N	-1	0	304.350	0.561	20	30		DCEDRM
Cc1nnc(NC(=N)SCCS(=O)(=O)[O-])c(C#N)c1C	ZINC001168088022	749366235	/nfs/dbraw/zinc/36/62/35/749366235.db2.gz	BRNLIKMRWNFUAN-UHFFFAOYSA-N	-1	0	315.380	0.933	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncncc1OC	ZINC001229390562	749702111	/nfs/dbraw/zinc/70/21/11/749702111.db2.gz	MSFSRSMBZOQHKJ-VIFPVBQESA-N	-1	0	304.324	0.323	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCNc2cncc(C#N)n2)c1[O-]	ZINC001106282890	751084745	/nfs/dbraw/zinc/08/47/45/751084745.db2.gz	GHIMEYUOOAMCRA-QMMMGPOBSA-N	-1	0	315.337	0.706	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCCC(=O)OCC	ZINC001205128617	751124570	/nfs/dbraw/zinc/12/45/70/751124570.db2.gz	SXAROERHCBYJFK-NSHDSACASA-N	-1	0	310.368	0.805	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC#N)c1[O-]	ZINC001048517171	754786869	/nfs/dbraw/zinc/78/68/69/754786869.db2.gz	MBNQAEJBHIJALL-ZSBIGDGJSA-N	-1	0	303.366	0.920	20	30		DCEDRM
C=C(C)CCN1CC2(C1)C[C@H](NC(=O)c1[nH]nc(C)c1[O-])CO2	ZINC001053775492	756197102	/nfs/dbraw/zinc/19/71/02/756197102.db2.gz	YNLVASQPMOXKGW-LBPRGKRZSA-N	-1	0	320.393	0.963	20	30		DCEDRM
C=CCCN1CC2(C1)C[C@@H](NC(=O)c1[nH]nc(C)c1[O-])CO2	ZINC001053774910	756197113	/nfs/dbraw/zinc/19/71/13/756197113.db2.gz	MMHLGNAUIQEHEZ-LLVKDONJSA-N	-1	0	306.366	0.573	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)c1[O-]	ZINC001058327865	759893721	/nfs/dbraw/zinc/89/37/21/759893721.db2.gz	GDSJBSOZUMJZMY-SECBINFHSA-N	-1	0	313.321	0.094	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3ccc(C#N)nc3)C2)c1[O-]	ZINC001058327891	759893894	/nfs/dbraw/zinc/89/38/94/759893894.db2.gz	GYVFWJWZNOSKQG-LLVKDONJSA-N	-1	0	312.333	0.699	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C=Cc2ccsc2)c(=O)[n-]c1=O	ZINC001148392638	767971019	/nfs/dbraw/zinc/97/10/19/767971019.db2.gz	CIAUMAIWEXZGGC-UPHRSURJSA-N	-1	0	316.342	0.712	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)c1cc(S(=O)(=O)[O-])ccc1O	ZINC001148919195	768059822	/nfs/dbraw/zinc/05/98/22/768059822.db2.gz	QVHTZWDWGBGBJT-UHFFFAOYSA-N	-1	0	323.330	0.908	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@H](C)Nc2ccc(C#N)nn2)c1[O-]	ZINC001098984598	762772093	/nfs/dbraw/zinc/77/20/93/762772093.db2.gz	NJFNRLFGOIWLJG-QMMMGPOBSA-N	-1	0	315.337	0.706	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)CNc2ccc(C#N)nn2)c1[O-]	ZINC001103949595	765208283	/nfs/dbraw/zinc/20/82/83/765208283.db2.gz	RJOIHDWNYQMXDJ-MRVPVSSYSA-N	-1	0	315.337	0.563	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)CNc2cnc(C#N)cn2)c1[O-]	ZINC001103949822	765208728	/nfs/dbraw/zinc/20/87/28/765208728.db2.gz	YNRAKSDGSKJFOI-QMMMGPOBSA-N	-1	0	315.337	0.563	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001118480401	766327871	/nfs/dbraw/zinc/32/78/71/766327871.db2.gz	AUAWPWCZAAUWGV-SECBINFHSA-N	-1	0	306.322	0.121	20	30		DCEDRM
C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)[N-]Oc1cccc(C#N)c1	ZINC001171255219	767302582	/nfs/dbraw/zinc/30/25/82/767302582.db2.gz	CKGMBMYKEQFSJW-TVQRCGJNSA-N	-1	0	303.318	0.244	20	30		DCEDRM
[NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)C1CC=CC1	ZINC001146704284	767498232	/nfs/dbraw/zinc/49/82/32/767498232.db2.gz	WKEZTOZIQQIBGJ-SNVBAGLBSA-N	-1	0	324.339	0.495	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCOCC1CC1	ZINC001121562067	767591916	/nfs/dbraw/zinc/59/19/16/767591916.db2.gz	ZFHVRULOUPHMGH-UHFFFAOYSA-N	-1	0	318.381	0.551	20	30		DCEDRM
C#CCCCCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001147374978	767729755	/nfs/dbraw/zinc/72/97/55/767729755.db2.gz	YWQIKKZGBMDYIG-UHFFFAOYSA-N	-1	0	317.393	0.738	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@H](OC)C1	ZINC001122512640	767821424	/nfs/dbraw/zinc/82/14/24/767821424.db2.gz	OHQCZTVTRUEOEE-NSHDSACASA-N	-1	0	318.381	0.693	20	30		DCEDRM
CS(=O)(=O)n1cc2c(n1)CN(Cc1cc(C#N)ccc1[O-])C2	ZINC001232678283	769330144	/nfs/dbraw/zinc/33/01/44/769330144.db2.gz	SVUZCWMUXWRECI-UHFFFAOYSA-N	-1	0	318.358	0.784	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001233928024	769497817	/nfs/dbraw/zinc/49/78/17/769497817.db2.gz	MHDSFMLPGAUYLL-GHMZBOCLSA-N	-1	0	307.354	0.438	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cnccc1C(N)=O	ZINC001234006585	769520473	/nfs/dbraw/zinc/52/04/73/769520473.db2.gz	TWNQAPCRKMGQIS-VIFPVBQESA-N	-1	0	316.335	0.018	20	30		DCEDRM
C=C[C@H](OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC)C(=O)OC	ZINC001234353651	769634093	/nfs/dbraw/zinc/63/40/93/769634093.db2.gz	CHLQUBKALHLRMA-LURJTMIESA-N	-1	0	313.262	0.400	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)c1c[n-]c2cccnc2c1=O	ZINC001153862550	769972127	/nfs/dbraw/zinc/97/21/27/769972127.db2.gz	YRHAFWVCWTUXQT-SNVBAGLBSA-N	-1	0	300.274	0.108	20	30		DCEDRM
C[C@H]1[C@H](Nc2nccc(Cl)c2C#N)C(=O)N1S(=O)(=O)[O-]	ZINC001157067857	771526084	/nfs/dbraw/zinc/52/60/84/771526084.db2.gz	WDMSYGPVGIFWSN-XNCJUZBTSA-N	-1	0	316.726	0.421	20	30		DCEDRM
C#CC(C)(C)C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001182641173	771527653	/nfs/dbraw/zinc/52/76/53/771527653.db2.gz	AGDLWKOXYXYTRG-SECBINFHSA-N	-1	0	324.339	0.188	20	30		DCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)COc1ccc(C#N)cc1	ZINC001182916928	771575991	/nfs/dbraw/zinc/57/59/91/771575991.db2.gz	MREABUSBQSTUQT-LBPRGKRZSA-N	-1	0	320.301	0.460	20	30		DCEDRM
N#Cc1cc(Cl)nnc1NC(=N)SCCS(=O)(=O)[O-]	ZINC001157322049	771586009	/nfs/dbraw/zinc/58/60/09/771586009.db2.gz	NVDGTNIMBSFHBU-UHFFFAOYSA-N	-1	0	321.771	0.969	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001158805605	771823922	/nfs/dbraw/zinc/82/39/22/771823922.db2.gz	CGBOPCPKPJJMMW-GFCCVEGCSA-N	-1	0	312.329	0.894	20	30		DCEDRM
CSc1nc(Cl)c(/C=N/[O-])c(N[C@H](C#N)C(N)=O)n1	ZINC001159468952	771915337	/nfs/dbraw/zinc/91/53/37/771915337.db2.gz	QPKCLGZPZJJZKZ-ACLXISPSSA-N	-1	0	300.731	0.449	20	30		DCEDRM
COC(=O)[C@H]1CCN(CC(=O)N(O)C(=N)c2ccccc2N)C1	ZINC001186109246	772006662	/nfs/dbraw/zinc/00/66/62/772006662.db2.gz	GDKUIZGDYANFJB-JTQLQIEISA-N	-1	0	320.349	0.307	20	30		DCEDRM
C#CCC[C@H](O)C[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC001189624209	772507603	/nfs/dbraw/zinc/50/76/03/772507603.db2.gz	WRKCAFNQIMFHQM-VIFPVBQESA-N	-1	0	301.320	0.119	20	30		DCEDRM
COc1nc(S(=O)(=O)[N-]c2cncc(C#N)n2)ccc1F	ZINC001190063429	772580611	/nfs/dbraw/zinc/58/06/11/772580611.db2.gz	OBKQXABOGXFQKP-UHFFFAOYSA-N	-1	0	309.282	0.692	20	30		DCEDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2nnccc2C#N)cc1	ZINC001191579768	772785362	/nfs/dbraw/zinc/78/53/62/772785362.db2.gz	QXDGXLNRHXKEOL-UHFFFAOYSA-N	-1	0	317.330	0.509	20	30		DCEDRM
C[C@H]1CN(O)C(=O)[C@H]1[N-]S(=O)(=O)C(Cl)(Cl)Cl	ZINC001192049876	772857193	/nfs/dbraw/zinc/85/71/93/772857193.db2.gz	LZFGCYAVQVWQQN-IMJSIDKUSA-N	-1	0	311.574	0.470	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)NCC(F)(F)F)c([O-])c1	ZINC001195768702	773470944	/nfs/dbraw/zinc/47/09/44/773470944.db2.gz	QEEBJMMRJKODLJ-UHFFFAOYSA-N	-1	0	301.224	0.672	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccsc1C(=O)N1CCNC[C@H]1C#N	ZINC001196723910	773637894	/nfs/dbraw/zinc/63/78/94/773637894.db2.gz	YAUPBARYQXNQIK-MRVPVSSYSA-N	-1	0	314.392	0.057	20	30		DCEDRM
C=C[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1	ZINC001213202165	773816815	/nfs/dbraw/zinc/81/68/15/773816815.db2.gz	GPUZYTKNXUSRSP-ZCFIWIBFSA-N	-1	0	309.727	0.545	20	30		DCEDRM
N#Cc1cc(F)c(NC(=O)[C@@H]([NH3+])Cc2nnn[n-]2)c(Cl)c1	ZINC001218994928	774343989	/nfs/dbraw/zinc/34/39/89/774343989.db2.gz	MYHZQODZXHIVHV-QMMMGPOBSA-N	-1	0	309.692	0.372	20	30		DCEDRM
C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114325644	774799162	/nfs/dbraw/zinc/79/91/62/774799162.db2.gz	CXNLFHXSSCFVSW-IMRBUKKESA-N	-1	0	317.393	0.825	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCCN1CCSCC1)C(=O)[O-]	ZINC000316294832	774940184	/nfs/dbraw/zinc/94/01/84/774940184.db2.gz	ITRYHLGTHLLVDN-LLVKDONJSA-N	-1	0	301.412	0.754	20	30		DCEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCCN1c1ncccn1)C(=O)[O-]	ZINC000316380933	774949314	/nfs/dbraw/zinc/94/93/14/774949314.db2.gz	SWMWJBJPJLDUJZ-RYUDHWBXSA-N	-1	0	304.350	0.981	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1oc(=O)oc1C	ZINC001223319915	775481723	/nfs/dbraw/zinc/48/17/23/775481723.db2.gz	VPMNEUMYLHITLK-VIFPVBQESA-N	-1	0	308.308	0.517	20	30		DCEDRM
C=C[C@@H]1O[C@H](OCCCS(=O)(=O)[O-])[C@H]2OC(C)(C)O[C@@H]12	ZINC001224900216	775618071	/nfs/dbraw/zinc/61/80/71/775618071.db2.gz	SVNCNSDNXPQXMB-NAKRPEOUSA-N	-1	0	308.352	0.712	20	30		DCEDRM
CCOC(=O)c1[n-]c(=O)nc(O[C@@H](C)CS)c1[N+](=O)[O-]	ZINC001226016239	775755314	/nfs/dbraw/zinc/75/53/14/775755314.db2.gz	XHTQYEUBUIFGOE-YFKPBYRVSA-N	-1	0	303.296	0.964	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncnc2c1CCC2	ZINC001226380976	775810102	/nfs/dbraw/zinc/81/01/02/775810102.db2.gz	FMXICPLSTMTZGA-SNVBAGLBSA-N	-1	0	314.363	0.803	20	30		DCEDRM
C#C[C@@H](Oc1ccc(O)cc1S(=O)(=O)[O-])C(=O)OCC	ZINC001226413727	775813969	/nfs/dbraw/zinc/81/39/69/775813969.db2.gz	SRZCYEQUDUPDPB-SECBINFHSA-N	-1	0	300.288	0.583	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc(C(N)=O)n1	ZINC001227833854	776014486	/nfs/dbraw/zinc/01/44/86/776014486.db2.gz	AWFBTKPZSJGMSH-VIFPVBQESA-N	-1	0	316.335	0.018	20	30		DCEDRM
C#CC(C#C)Oc1nc(I)cc(=O)[n-]1	ZINC001228951395	776140429	/nfs/dbraw/zinc/14/04/29/776140429.db2.gz	WDTZESLEEHIWJZ-UHFFFAOYSA-N	-1	0	300.055	0.801	20	30		DCEDRM
C#CCOC1CCN(S(=O)(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])CC1	ZINC001465107516	804090191	/nfs/dbraw/zinc/09/01/91/804090191.db2.gz	RQEWIPNJOYFSTB-QWHCGFSZSA-N	-1	0	315.391	0.684	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC=C[C@H]2CO)c(C(=O)[O-])c1	ZINC001601111285	1168586632	/nfs/dbraw/zinc/58/66/32/1168586632.db2.gz	XGOCIQXRBAWIBR-JTQLQIEISA-N	-1	0	308.315	0.178	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C)n(NC(N)=O)c1C)C(=O)[O-]	ZINC001602749787	1169177600	/nfs/dbraw/zinc/17/76/00/1169177600.db2.gz	YUZAOWKLGDQKKE-LLVKDONJSA-N	-1	0	308.338	0.876	20	30		DCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001602829229	1169190190	/nfs/dbraw/zinc/19/01/90/1169190190.db2.gz	XZCWTTAJOKNIEJ-NHYWBVRUSA-N	-1	0	310.350	0.256	20	30		DCEDRM
C=CCOC[C@H](NCc1ncc(C2OCCO2)s1)C(=O)[O-]	ZINC001602914772	1169205087	/nfs/dbraw/zinc/20/50/87/1169205087.db2.gz	COKLCGVHNXEHJX-VIFPVBQESA-N	-1	0	314.363	0.934	20	30		DCEDRM
C=CCN1CC[C@@]2(CCN(C(=O)c3cc([O-])[nH]c(=O)c3)C2)C1=O	ZINC001269381492	940695724	/nfs/dbraw/zinc/69/57/24/940695724.db2.gz	NNAKYXSLIMSVSK-INIZCTEOSA-N	-1	0	317.345	0.743	20	30		DCEDRM
CN1C[C@@]2(CCN(C(=O)CCC(=O)C3=CC=C[CH]3)C2)OCC1=O	ZINC001271441681	941376399	/nfs/dbraw/zinc/37/63/99/941376399.db2.gz	HBWUOTQSXPSUID-QGZVFWFLSA-N	-1	0	317.365	0.496	20	30		DCEDRM
COc1ccc([C@H](O)CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001412868703	942115521	/nfs/dbraw/zinc/11/55/21/942115521.db2.gz	IJXCMGUNYGCGMC-GFCCVEGCSA-N	-1	0	316.317	0.099	20	30		DCEDRM
Cc1c(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cnn1CC(C)C	ZINC001412874856	942119444	/nfs/dbraw/zinc/11/94/44/942119444.db2.gz	AKQYJDISAJZJGH-UHFFFAOYSA-N	-1	0	302.338	0.850	20	30		DCEDRM
N#Cc1nccnc1NC[C@@H](O)CNC(=O)c1ccccc1O	ZINC001105756515	942537975	/nfs/dbraw/zinc/53/79/75/942537975.db2.gz	VTLZKWJZWBTNFG-SNVBAGLBSA-N	-1	0	313.317	0.257	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2n[nH]cc2C2CC2)c(=O)[n-]c1=O	ZINC001413184856	942549643	/nfs/dbraw/zinc/54/96/43/942549643.db2.gz	SHWCMAWDWHTDED-UHFFFAOYSA-N	-1	0	300.278	0.060	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc(Cl)cn2)c(=O)[n-]c1=O	ZINC001413307191	942617608	/nfs/dbraw/zinc/61/76/08/942617608.db2.gz	HDJIALBDJIFSPL-UHFFFAOYSA-N	-1	0	319.708	0.299	20	30		DCEDRM
C[C@H]1CCC[C@]1(C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413309924	942620843	/nfs/dbraw/zinc/62/08/43/942620843.db2.gz	PZXIBDNORJVCMY-BONVTDFDSA-N	-1	0	304.350	0.763	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]N2Cc3ccccc3C2=O)c1	ZINC001413365841	942932880	/nfs/dbraw/zinc/93/28/80/942932880.db2.gz	MNZIXDRKWZTXDJ-UHFFFAOYSA-N	-1	0	314.326	0.803	20	30		DCEDRM
C[C@H](NCC#N)[C@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001484351896	943331920	/nfs/dbraw/zinc/33/19/20/943331920.db2.gz	GPDGHGFPABUWKV-UWVGGRQHSA-N	-1	0	315.333	0.892	20	30		DCEDRM
C=CCCCC(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001484777369	943566412	/nfs/dbraw/zinc/56/64/12/943566412.db2.gz	NSSBKIGZTXUDJM-UHFFFAOYSA-N	-1	0	321.381	0.280	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001319319509	945556064	/nfs/dbraw/zinc/55/60/64/945556064.db2.gz	RPBZSMJSLCPWJU-IAQYHMDHSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=CCCNC(=S)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001247650248	945565147	/nfs/dbraw/zinc/56/51/47/945565147.db2.gz	QERROZSTMAIYRH-UHFFFAOYSA-N	-1	0	311.388	0.981	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@H](C)CCNCC#N)cc1=O	ZINC001320484875	945896970	/nfs/dbraw/zinc/89/69/70/945896970.db2.gz	BAWNPGCODREOQO-GFCCVEGCSA-N	-1	0	307.398	0.383	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCCCC(N)=O)cc1C#N	ZINC001320886733	946054310	/nfs/dbraw/zinc/05/43/10/946054310.db2.gz	STYDGDILERVPSC-UHFFFAOYSA-N	-1	0	308.363	0.766	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)C(=O)[O-]	ZINC001321167340	946197636	/nfs/dbraw/zinc/19/76/36/946197636.db2.gz	UQRFZVGPTFLGCV-GFCCVEGCSA-N	-1	0	311.359	0.990	20	30		DCEDRM
N#CCOc1ccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cc1	ZINC001321781784	946458763	/nfs/dbraw/zinc/45/87/63/946458763.db2.gz	CZBJQWAZZOZCAM-LLVKDONJSA-N	-1	0	319.317	0.612	20	30		DCEDRM
C=C[C@H](COC)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC001255036384	946461903	/nfs/dbraw/zinc/46/19/03/946461903.db2.gz	NXGPOKPQKBFYFS-MRVPVSSYSA-N	-1	0	304.306	0.675	20	30		DCEDRM
C#CC1(O)CN(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C1	ZINC001602672318	971236053	/nfs/dbraw/zinc/23/60/53/971236053.db2.gz	KCOJNRIVEQPCMZ-HNNXBMFYSA-N	-1	0	302.330	0.418	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602674692	971242824	/nfs/dbraw/zinc/24/28/24/971242824.db2.gz	AIXCRHSJGCJSQW-WULFKBJJSA-N	-1	0	322.361	0.442	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@]1(C(=O)OC(C)(C)C)CCCO1	ZINC001602678867	971256873	/nfs/dbraw/zinc/25/68/73/971256873.db2.gz	IGQKSHOOZBPTQO-HNNXBMFYSA-N	-1	0	311.334	0.424	20	30		DCEDRM
COC(=O)c1nsnc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC001258208467	946811960	/nfs/dbraw/zinc/81/19/60/946811960.db2.gz	QVEIXIZKYSUWSK-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
CC#CCN1CC[C@H]1CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001323357292	947053436	/nfs/dbraw/zinc/05/34/36/947053436.db2.gz	MUMDVUWELMFVAT-JTQLQIEISA-N	-1	0	319.327	0.657	20	30		DCEDRM
N#CC1([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CCC1	ZINC001260167069	947076274	/nfs/dbraw/zinc/07/62/74/947076274.db2.gz	QBKDQCHXYLNWPU-UHFFFAOYSA-N	-1	0	312.742	0.502	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1	ZINC001602704517	971335344	/nfs/dbraw/zinc/33/53/44/971335344.db2.gz	JFRCCSINVHRBET-ZDUSSCGKSA-N	-1	0	302.286	0.544	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCO[C@H]2C)n1CCOC	ZINC001602701134	971326358	/nfs/dbraw/zinc/32/63/58/971326358.db2.gz	XXQYDWMKSYOIMQ-RYUDHWBXSA-N	-1	0	322.365	0.341	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602718861	971378520	/nfs/dbraw/zinc/37/85/20/971378520.db2.gz	XBYCGKLSPQXVSI-WVIDZAQPSA-N	-1	0	312.366	0.635	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C(=O)[O-])C(C)C	ZINC001602722955	971391230	/nfs/dbraw/zinc/39/12/30/971391230.db2.gz	CJXKEZODOUYTIT-RKDXNWHRSA-N	-1	0	300.311	0.287	20	30		DCEDRM
C=CCOCCOC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001602728906	971398600	/nfs/dbraw/zinc/39/86/00/971398600.db2.gz	ODVLBQYBBXITLR-UHFFFAOYSA-N	-1	0	306.336	0.012	20	30		DCEDRM
C=CCn1c(-c2ccnn2C)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602730133	971406331	/nfs/dbraw/zinc/40/63/31/971406331.db2.gz	UUXNNKABAMZNQY-JTQLQIEISA-N	-1	0	302.338	0.776	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001602734899	971413562	/nfs/dbraw/zinc/41/35/62/971413562.db2.gz	BDNMEOOVXLSLFB-ZDUSSCGKSA-N	-1	0	318.329	0.143	20	30		DCEDRM
N#Cc1cnn2c1[nH]c(=O)cc2[N-]S(=O)(=O)c1ccco1	ZINC001186812481	947942813	/nfs/dbraw/zinc/94/28/13/947942813.db2.gz	PPECHRWNBILYOJ-UHFFFAOYSA-N	-1	0	305.275	0.700	20	30		DCEDRM
COC(=O)[C@H](CC(C)C)Nc1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001570918876	948579873	/nfs/dbraw/zinc/57/98/73/948579873.db2.gz	UZEAUFCUFAZSEI-QMMMGPOBSA-N	-1	0	316.325	0.528	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)CC(=O)[O-]	ZINC001327840568	948640698	/nfs/dbraw/zinc/64/06/98/948640698.db2.gz	RFPNUNKCECKUOJ-JTQLQIEISA-N	-1	0	304.302	0.617	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2c(cccc2C(N)=O)C1	ZINC001602780150	971516904	/nfs/dbraw/zinc/51/69/04/971516904.db2.gz	BANMHJHKRPGRSB-INIZCTEOSA-N	-1	0	315.329	0.675	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCOC[C@@]13CCOC3)cc2=O	ZINC001364394740	949184003	/nfs/dbraw/zinc/18/40/03/949184003.db2.gz	FOQSJXOINMZNLG-HNNXBMFYSA-N	-1	0	315.333	0.298	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H](C)[S@]1=O	ZINC001589624881	949462995	/nfs/dbraw/zinc/46/29/95/949462995.db2.gz	OFEHUQVZUUNDOZ-FHEHOORHSA-N	-1	0	300.380	0.749	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCc3cc(F)cc(F)c3C2)c(C#N)c1=O	ZINC001364587216	949597383	/nfs/dbraw/zinc/59/73/83/949597383.db2.gz	AKUQIAXVUAKUOJ-UHFFFAOYSA-N	-1	0	318.283	0.786	20	30		DCEDRM
C#CCCCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001489262013	949641857	/nfs/dbraw/zinc/64/18/57/949641857.db2.gz	YCGOKIJFQZMBPF-NEPJUHHUSA-N	-1	0	305.382	0.783	20	30		DCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1	ZINC001329809104	949890071	/nfs/dbraw/zinc/89/00/71/949890071.db2.gz	LQBGZZWHVXBVCT-UHFFFAOYSA-N	-1	0	302.396	0.656	20	30		DCEDRM
CN(C)c1cc[nH+]c(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001365242850	950800807	/nfs/dbraw/zinc/80/08/07/950800807.db2.gz	MOLJHJRGMSLVNY-UHFFFAOYSA-N	-1	0	300.322	0.018	20	30		DCEDRM
C#CCCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001280267430	950802209	/nfs/dbraw/zinc/80/22/09/950802209.db2.gz	DDKUVYCNXFDYIS-VHSXEESVSA-N	-1	0	306.366	0.850	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1C[C@@H](O)CC(F)(F)C1)cc2=O	ZINC001365289566	950887821	/nfs/dbraw/zinc/88/78/21/950887821.db2.gz	DZDGBRFGTCZQSZ-JTQLQIEISA-N	-1	0	309.276	0.508	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001280734899	951058792	/nfs/dbraw/zinc/05/87/92/951058792.db2.gz	ZOOFCBSYQROQTP-GFCCVEGCSA-N	-1	0	321.381	0.021	20	30		DCEDRM
CC1(CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001365559032	951264533	/nfs/dbraw/zinc/26/45/33/951264533.db2.gz	NCPYIJHHQORYDF-UHFFFAOYSA-N	-1	0	319.365	0.700	20	30		DCEDRM
C=CC[C@@H](NC(=O)NC[C@@H](C(C)C)N1CCOCC1)C(=O)[O-]	ZINC001332159335	951503621	/nfs/dbraw/zinc/50/36/21/951503621.db2.gz	IQJXOAHVVMXJJQ-OLZOCXBDSA-N	-1	0	313.398	0.672	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1	ZINC001281657175	951582590	/nfs/dbraw/zinc/58/25/90/951582590.db2.gz	BYIVKDMFTWLSPH-NEPJUHHUSA-N	-1	0	305.382	0.783	20	30		DCEDRM
C#CCC1(NC(=O)c2c[n-]n3c2nccc3=O)CCOCC1	ZINC001332400437	951631275	/nfs/dbraw/zinc/63/12/75/951631275.db2.gz	HSLNDOLFYWXGBM-UHFFFAOYSA-N	-1	0	300.318	0.325	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(=O)n(CCOC)c1	ZINC001332629139	951730074	/nfs/dbraw/zinc/73/00/74/951730074.db2.gz	ZZCWSELISFEJJL-JTQLQIEISA-N	-1	0	309.322	0.056	20	30		DCEDRM
CC(C)(C)OC(=O)N1CCN(C(=O)CCC(=O)[O-])[C@@H](C#N)C1	ZINC001602889161	971792587	/nfs/dbraw/zinc/79/25/87/971792587.db2.gz	QIEUEXUPCYHSEI-JTQLQIEISA-N	-1	0	311.338	0.823	20	30		DCEDRM
C=CCN1CCC2(CCN(S(=O)(=O)c3ncc[n-]3)CC2)C1=O	ZINC001275460734	952163434	/nfs/dbraw/zinc/16/34/34/952163434.db2.gz	AUECPFTXURESAJ-UHFFFAOYSA-N	-1	0	324.406	0.599	20	30		DCEDRM
C=CCC[C@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001334980612	952429186	/nfs/dbraw/zinc/42/91/86/952429186.db2.gz	XDFONVCDQUMWBR-YPMHNXCESA-N	-1	0	321.381	0.717	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@H]2CNC(=O)C2)cc1C#N	ZINC001412183315	952681384	/nfs/dbraw/zinc/68/13/84/952681384.db2.gz	ONWJXHSMQIBGNU-SSDOTTSWSA-N	-1	0	306.347	0.247	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2CCCC[C@@H]2F)c(=O)[n-]c1=O	ZINC001412415977	952787663	/nfs/dbraw/zinc/78/76/63/952787663.db2.gz	DJNKJTZFTBIOCW-WDEREUQCSA-N	-1	0	308.313	0.608	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001337127304	952814476	/nfs/dbraw/zinc/81/44/76/952814476.db2.gz	BHPWIXIJIAQGPD-GXSJLCMTSA-N	-1	0	322.365	0.039	20	30		DCEDRM
CN(CCCNc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccc1	ZINC001337700963	952903228	/nfs/dbraw/zinc/90/32/28/952903228.db2.gz	DJDZAVSJKXSGLX-UHFFFAOYSA-N	-1	0	313.361	0.884	20	30		DCEDRM
CC(C)(C)C[C@H](O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412580582	952911538	/nfs/dbraw/zinc/91/15/38/952911538.db2.gz	STJHWBRKCCDTRP-NSHDSACASA-N	-1	0	322.365	0.124	20	30		DCEDRM
CCC[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001412679951	952986969	/nfs/dbraw/zinc/98/69/69/952986969.db2.gz	VPUAZTAIXUYXFI-LBPRGKRZSA-N	-1	0	320.349	0.238	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](C)O[C@@H](C)C1	ZINC001338946726	953064222	/nfs/dbraw/zinc/06/42/22/953064222.db2.gz	XKZYARMRPZVWLD-MNOVXSKESA-N	-1	0	318.381	0.692	20	30		DCEDRM
Cc1nnc(NN=Cc2cnc(C3OCCO3)s2)[n-]c1=O	ZINC001339079122	953071398	/nfs/dbraw/zinc/07/13/98/953071398.db2.gz	KWNOIHXQJAUBNW-UHFFFAOYSA-N	-1	0	308.323	0.834	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](C)[C@@H](OC)C1	ZINC001340562334	953178312	/nfs/dbraw/zinc/17/83/12/953178312.db2.gz	XRTMKHJMJWJJEN-PWSUYJOCSA-N	-1	0	318.381	0.549	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(CC(=O)NC2CCCC2)c1	ZINC001341901937	953257785	/nfs/dbraw/zinc/25/77/85/953257785.db2.gz	FVKLJHRXXZVPJJ-GFCCVEGCSA-N	-1	0	317.349	0.010	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](C)[C@H](F)C1	ZINC001342241703	953278664	/nfs/dbraw/zinc/27/86/64/953278664.db2.gz	RWAMMPIVVTYYPM-NXEZZACHSA-N	-1	0	306.345	0.872	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COCc1ccnn1C	ZINC001343368973	953341330	/nfs/dbraw/zinc/34/13/30/953341330.db2.gz	VWMICBGZXMDULL-LLVKDONJSA-N	-1	0	301.306	0.262	20	30		DCEDRM
N#CCC1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC000404071620	953372113	/nfs/dbraw/zinc/37/21/13/953372113.db2.gz	IAFVAFOTMUYPIF-UHFFFAOYSA-N	-1	0	301.368	0.311	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1	ZINC001589266738	953375372	/nfs/dbraw/zinc/37/53/72/953375372.db2.gz	VMCLAQOASADCBA-AGIUHOORSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C#CCN(C)c1nnc(-c2cc(=O)n(C)[n-]2)n1C[C@H]1CCCO1	ZINC001344659312	953511757	/nfs/dbraw/zinc/51/17/57/953511757.db2.gz	NYEOLRSLEPKMOI-LLVKDONJSA-N	-1	0	316.365	0.633	20	30		DCEDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(C#N)cn1	ZINC001589310412	953785435	/nfs/dbraw/zinc/78/54/35/953785435.db2.gz	MYWSUJCVLDNTHL-ONGXEEELSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@H](CC(=O)[O-])CC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC001346541876	953913799	/nfs/dbraw/zinc/91/37/99/953913799.db2.gz	XQZVOMDVHCWYEM-GEUDXBDSSA-N	-1	0	309.322	0.130	20	30		DCEDRM
C#CCCCCC(=O)NCCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001283225580	954162647	/nfs/dbraw/zinc/16/26/47/954162647.db2.gz	YVGKWZVYHQWXHZ-UHFFFAOYSA-N	-1	0	306.366	0.853	20	30		DCEDRM
CC(C)C#CC(=O)N[C@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001284049017	954813341	/nfs/dbraw/zinc/81/33/41/954813341.db2.gz	AZEKTYRDVBDVIM-LRDDRELGSA-N	-1	0	317.393	0.783	20	30		DCEDRM
COC(=O)[C@@H](CC(F)(F)F)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001593808334	954918606	/nfs/dbraw/zinc/91/86/06/954918606.db2.gz	VKXRZCDJLZBJBJ-LDWIPMOCSA-N	-1	0	310.228	0.601	20	30		DCEDRM
C=CCCC(=O)N[C@H](C)CNC(=O)c1c[n-]n2c1nccc2=O	ZINC001284245434	954959131	/nfs/dbraw/zinc/95/91/31/954959131.db2.gz	LYXNHXQUDOKJKS-SNVBAGLBSA-N	-1	0	317.349	0.223	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(C(=O)CCCC#N)C[C@H]2C(=O)[O-]	ZINC001593820362	955029507	/nfs/dbraw/zinc/02/95/07/955029507.db2.gz	KCLJDVGDPNGNHB-VTWZXRTESA-N	-1	0	308.334	0.793	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(C(=O)CCCC#N)C[C@@H]2C(=O)[O-]	ZINC001593820359	955029821	/nfs/dbraw/zinc/02/98/21/955029821.db2.gz	KCLJDVGDPNGNHB-LOIXOFCESA-N	-1	0	308.334	0.793	20	30		DCEDRM
CC[C@H](CNC(=O)C(=O)N1Cc2ccc(C#N)cc2C1)C(=O)[O-]	ZINC001589518683	955080334	/nfs/dbraw/zinc/08/03/34/955080334.db2.gz	NENVUZAGXDYQKK-LLVKDONJSA-N	-1	0	315.329	0.627	20	30		DCEDRM
C=CCOCC(=O)NC1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001350853748	955203156	/nfs/dbraw/zinc/20/31/56/955203156.db2.gz	LMCAVYHNDUCUKW-UHFFFAOYSA-N	-1	0	322.365	0.347	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)C1(C#N)CCSCC1	ZINC001593836147	955314278	/nfs/dbraw/zinc/31/42/78/955314278.db2.gz	RSJPCWBAZNYUSF-UHFFFAOYSA-N	-1	0	314.363	0.500	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)Cc1ccc(C#N)cc1	ZINC001593838883	955332769	/nfs/dbraw/zinc/33/27/69/955332769.db2.gz	DTWDKRCONJPJQI-UHFFFAOYSA-N	-1	0	304.302	0.577	20	30		DCEDRM
C=CCO[N-]C(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1	ZINC001351782927	955411404	/nfs/dbraw/zinc/41/14/04/955411404.db2.gz	INTIKZWQCDCVFK-UHFFFAOYSA-N	-1	0	300.355	0.886	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)c1cc(O)cc(C#N)c1)C(=O)[O-]	ZINC001593847513	955432148	/nfs/dbraw/zinc/43/21/48/955432148.db2.gz	QPNWSCMTYLYTGM-NSHDSACASA-N	-1	0	306.274	0.400	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)NCCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001589019200	955449751	/nfs/dbraw/zinc/44/97/51/955449751.db2.gz	AYWWGCJWXDSEJL-NSHDSACASA-N	-1	0	317.345	0.396	20	30		DCEDRM
Cn1cc(C(F)F)c(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001594530098	955520328	/nfs/dbraw/zinc/52/03/28/955520328.db2.gz	XEWZTUXNSPPDCL-LBPRGKRZSA-N	-1	0	300.265	0.978	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC001593906419	955921520	/nfs/dbraw/zinc/92/15/20/955921520.db2.gz	WQOUHOTXOURSOT-UONOGXRCSA-N	-1	0	317.345	0.323	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001594588877	956027610	/nfs/dbraw/zinc/02/76/10/956027610.db2.gz	LLNYVUWMYWIFBJ-CYBMUJFWSA-N	-1	0	314.305	0.041	20	30		DCEDRM
N#C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)C1	ZINC001594606010	956175960	/nfs/dbraw/zinc/17/59/60/956175960.db2.gz	OQSGKYUSBFONLG-GFCCVEGCSA-N	-1	0	315.329	0.763	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C2(CC(=O)[O-])CCOCC2)CCN1C1CC1	ZINC001594606087	956177309	/nfs/dbraw/zinc/17/73/09/956177309.db2.gz	QCKWJLXDSCVAFH-CYBMUJFWSA-N	-1	0	321.377	0.457	20	30		DCEDRM
N#CC[C@@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C(F)(F)F	ZINC001594606159	956178619	/nfs/dbraw/zinc/17/86/19/956178619.db2.gz	PMMGOQDLLPRFFD-RNSXUZJQSA-N	-1	0	321.255	0.574	20	30		DCEDRM
N#Cc1cc(F)cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC001594615668	956234930	/nfs/dbraw/zinc/23/49/30/956234930.db2.gz	FCNCVWPPJORZDE-LLVKDONJSA-N	-1	0	305.265	0.711	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c[nH]1	ZINC001594615742	956235534	/nfs/dbraw/zinc/23/55/34/956235534.db2.gz	DCZBZQXFPGMSDB-NSHDSACASA-N	-1	0	304.306	0.082	20	30		DCEDRM
CC[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@H](O)C(F)(F)F	ZINC001413887907	956263044	/nfs/dbraw/zinc/26/30/44/956263044.db2.gz	QLCJOYWJSXRYAJ-RQJHMYQMSA-N	-1	0	306.244	0.059	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)nc1	ZINC001594621706	956287355	/nfs/dbraw/zinc/28/73/55/956287355.db2.gz	OYDQJKWKUZTSSM-CHWSQXEVSA-N	-1	0	314.345	0.713	20	30		DCEDRM
C#CCN(CC)c1nnc(Cc2nn[nH]n2)n1Cc1ccccc1	ZINC001354202584	956309100	/nfs/dbraw/zinc/30/91/00/956309100.db2.gz	XUXJIJMIVNYQTR-UHFFFAOYSA-N	-1	0	322.376	0.890	20	30		DCEDRM
N#Cc1cccc(C2(C(=O)OCC(=O)NCC(=O)[O-])CC2)c1	ZINC001594625880	956312692	/nfs/dbraw/zinc/31/26/92/956312692.db2.gz	QDTPTOQZMGSKTO-UHFFFAOYSA-N	-1	0	302.286	0.334	20	30		DCEDRM
N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC(=O)[O-]	ZINC001594626807	956319318	/nfs/dbraw/zinc/31/93/18/956319318.db2.gz	INNWZMLXILDFRQ-UHFFFAOYSA-N	-1	0	313.291	0.610	20	30		DCEDRM
N#Cc1ccc2c(c1)CN(C(=O)c1cccn(CC(=O)[O-])c1=O)C2	ZINC001594627506	956323469	/nfs/dbraw/zinc/32/34/69/956323469.db2.gz	ROVBWXTZMRNECN-UHFFFAOYSA-N	-1	0	323.308	0.961	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCCCC(=O)[O-])CC2	ZINC001594627693	956324744	/nfs/dbraw/zinc/32/47/44/956324744.db2.gz	SZDKYPZKYFKIKE-UHFFFAOYSA-N	-1	0	315.329	0.818	20	30		DCEDRM
N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001594628957	956339444	/nfs/dbraw/zinc/33/94/44/956339444.db2.gz	YRFCUWHNTJUSQB-NHYWBVRUSA-N	-1	0	317.301	0.999	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)n1	ZINC001594635660	956370675	/nfs/dbraw/zinc/37/06/75/956370675.db2.gz	QCYWKSZWIVHRDA-LLVKDONJSA-N	-1	0	311.301	0.755	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001589168111	956439847	/nfs/dbraw/zinc/43/98/47/956439847.db2.gz	WJOGRQOZPLDWQG-SECBINFHSA-N	-1	0	315.289	0.640	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)CS[C@@H](C)C(=O)[O-])CC1	ZINC001589170106	956470665	/nfs/dbraw/zinc/47/06/65/956470665.db2.gz	ZLXMUNXMTZZWJX-NWDGAFQWSA-N	-1	0	313.423	0.885	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)C[C@@H](C)C1CC1)C(=O)OC	ZINC001463597068	1013147301	/nfs/dbraw/zinc/14/73/01/1013147301.db2.gz	GDOPZILIWZEHKR-ZYHUDNBSSA-N	-1	0	305.396	0.696	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1	ZINC001589182379	956536550	/nfs/dbraw/zinc/53/65/50/956536550.db2.gz	IRVHLRGARPWFLR-PPUFBPAQSA-N	-1	0	321.377	0.898	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(c2ccc(C(=O)OC)nc2C#N)C1	ZINC001593968441	956586988	/nfs/dbraw/zinc/58/69/88/956586988.db2.gz	XPHSHOPSEZEHOB-HNNXBMFYSA-N	-1	0	319.317	0.667	20	30		DCEDRM
C=C(C)CCC(=O)NCC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001355172657	956611892	/nfs/dbraw/zinc/61/18/92/956611892.db2.gz	IQJUQWNFMHEEPY-SECBINFHSA-N	-1	0	323.353	0.264	20	30		DCEDRM
C[C@H](CC#N)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001603119329	972201483	/nfs/dbraw/zinc/20/14/83/972201483.db2.gz	XELICHYCHDRXQM-GHMZBOCLSA-N	-1	0	307.350	0.460	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1	ZINC001593979280	956698735	/nfs/dbraw/zinc/69/87/35/956698735.db2.gz	VAVGFEBTOUDXFL-MISXGVKJSA-N	-1	0	311.338	0.190	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](OC)C1	ZINC001356546949	956893391	/nfs/dbraw/zinc/89/33/91/956893391.db2.gz	ISTQXRMYQDNRND-SNVBAGLBSA-N	-1	0	304.354	0.303	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(C)(C)N1CCOCC1	ZINC001463642974	1013150929	/nfs/dbraw/zinc/15/09/29/1013150929.db2.gz	ORFPSXQHRFYVOL-UHFFFAOYSA-N	-1	0	318.377	0.808	20	30		DCEDRM
C#CCN(C)c1nnc(-c2cnc[nH]c2=O)n1CCCOCC	ZINC001357392198	957267562	/nfs/dbraw/zinc/26/75/62/957267562.db2.gz	BDMWEXMJWTXNIJ-UHFFFAOYSA-N	-1	0	316.365	0.937	20	30		DCEDRM
C[C@H](CC(=O)[O-])NC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC001325716665	957312546	/nfs/dbraw/zinc/31/25/46/957312546.db2.gz	KEECRLHKZFEJQR-SECBINFHSA-N	-1	0	301.302	0.427	20	30		DCEDRM
Cc1nnc(COCC(=O)C(C#N)=C([O-])c2nccn2C)s1	ZINC001357662716	957349209	/nfs/dbraw/zinc/34/92/09/957349209.db2.gz	MKZJHAHOOJDHNO-SECBINFHSA-N	-1	0	319.346	0.688	20	30		DCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)N1CCCC[C@H]1C	ZINC001413882010	957507652	/nfs/dbraw/zinc/50/76/52/957507652.db2.gz	UEVIPIHJQFRGKQ-ZJUUUORDSA-N	-1	0	319.365	0.147	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1C3CCC1(C(N)=O)CC3)cc2=O	ZINC001414039755	957730792	/nfs/dbraw/zinc/73/07/92/957730792.db2.gz	ZDXMJXYSSSCYBB-UHFFFAOYSA-N	-1	0	312.333	0.289	20	30		DCEDRM
C=C[C@H](O)C(=O)N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1	ZINC001296143293	957909680	/nfs/dbraw/zinc/90/96/80/957909680.db2.gz	VLZPDDPJEUNTRO-UWVGGRQHSA-N	-1	0	311.704	0.745	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc(F)cc1	ZINC001588372890	957966101	/nfs/dbraw/zinc/96/61/01/957966101.db2.gz	VHCRJYJNEMEHFO-STQMWFEESA-N	-1	0	306.293	0.995	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccc(F)cc1	ZINC001588372889	957967025	/nfs/dbraw/zinc/96/70/25/957967025.db2.gz	VHCRJYJNEMEHFO-QWHCGFSZSA-N	-1	0	306.293	0.995	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC001588388779	958000232	/nfs/dbraw/zinc/00/02/32/958000232.db2.gz	GFJGIOLQSBXTMN-UPJWGTAASA-N	-1	0	324.377	0.100	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC001588388809	958001526	/nfs/dbraw/zinc/00/15/26/958001526.db2.gz	HAXMZYNIHSWEJN-CZUORRHYSA-N	-1	0	304.346	0.712	20	30		DCEDRM
C#CCCCC(=O)N(CCNC(=O)c1[nH]nc(C)c1[O-])C1CC1	ZINC001296568781	958013864	/nfs/dbraw/zinc/01/38/64/958013864.db2.gz	MFUPKRLXUDNIMG-UHFFFAOYSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C#CCCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001588390862	958015174	/nfs/dbraw/zinc/01/51/74/958015174.db2.gz	PEEHZLQYXZMJES-UWVGGRQHSA-N	-1	0	306.284	0.996	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccncc2C#N)cn1	ZINC001361489398	958018105	/nfs/dbraw/zinc/01/81/05/958018105.db2.gz	WFWKHUOIIZSQMI-UHFFFAOYSA-N	-1	0	317.330	0.394	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(F)c(F)c1C	ZINC001588395639	958044072	/nfs/dbraw/zinc/04/40/72/958044072.db2.gz	PEMPQOUBMLAMCR-UHFFFAOYSA-N	-1	0	310.256	0.758	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCCN1Cc1cccnc1	ZINC001588399615	958074359	/nfs/dbraw/zinc/07/43/59/958074359.db2.gz	NCJPTYJLCYDEQD-OAHLLOKOSA-N	-1	0	315.373	0.983	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC001588402439	958092137	/nfs/dbraw/zinc/09/21/37/958092137.db2.gz	UKRDUIJNIKSHQX-UHFFFAOYSA-N	-1	0	308.294	0.345	20	30		DCEDRM
CCOC(=O)N1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001361588337	958109265	/nfs/dbraw/zinc/10/92/65/958109265.db2.gz	OLWLWCKUIBMHST-UHFFFAOYSA-N	-1	0	318.333	0.882	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cnn(CC(F)(F)F)c1	ZINC001588408891	958119942	/nfs/dbraw/zinc/11/99/42/958119942.db2.gz	KLHLUOQXIJIUED-UHFFFAOYSA-N	-1	0	318.255	0.675	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(C(=O)OC)s1	ZINC001588409370	958127737	/nfs/dbraw/zinc/12/77/37/958127737.db2.gz	WRTIPRNRDAIDJX-UHFFFAOYSA-N	-1	0	310.331	0.764	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)CC)cc1	ZINC001588418806	958187310	/nfs/dbraw/zinc/18/73/10/958187310.db2.gz	GEIXSFKULXEBGP-UHFFFAOYSA-N	-1	0	309.343	0.640	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(OC)c(OCCO)c1	ZINC001588419239	958194044	/nfs/dbraw/zinc/19/40/44/958194044.db2.gz	YRKIPUAFLVXJRQ-UHFFFAOYSA-N	-1	0	307.302	0.226	20	30		DCEDRM
C[C@@H]1CCC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C	ZINC001361701849	958231303	/nfs/dbraw/zinc/23/13/03/958231303.db2.gz	QIIWBFISMSTASP-CKYFFXLPSA-N	-1	0	304.350	0.761	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2C[C@@H]3C[C@H](O)[C@@H]3C2)n1CC	ZINC001588426763	958233353	/nfs/dbraw/zinc/23/33/53/958233353.db2.gz	BGYDGXNFHYUCFA-LPWJVIDDSA-N	-1	0	318.377	0.697	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2cc[nH]n2)n1CC(=C)C	ZINC001588426934	958236633	/nfs/dbraw/zinc/23/66/33/958236633.db2.gz	HJIRBCKYCFWRPU-UHFFFAOYSA-N	-1	0	314.349	0.692	20	30		DCEDRM
COc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001361710294	958242348	/nfs/dbraw/zinc/24/23/48/958242348.db2.gz	MVSYMAXOCLWUPL-UHFFFAOYSA-N	-1	0	300.274	0.468	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCCCN2C)n1CC	ZINC001588427402	958245658	/nfs/dbraw/zinc/24/56/58/958245658.db2.gz	WCMAGMXXZMUHQY-LBPRGKRZSA-N	-1	0	305.382	0.979	20	30		DCEDRM
C#Cc1ccc(N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)nc1	ZINC001588439318	958316280	/nfs/dbraw/zinc/31/62/80/958316280.db2.gz	SOJOJHZNINAYMG-ZDUSSCGKSA-N	-1	0	313.357	0.965	20	30		DCEDRM
CN(Cc1ccsc1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361783740	958327496	/nfs/dbraw/zinc/32/74/96/958327496.db2.gz	PFSDMNCCZLHUTK-UHFFFAOYSA-N	-1	0	304.331	0.541	20	30		DCEDRM
N#CC[C@@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)c1ccccc1	ZINC001361786727	958329472	/nfs/dbraw/zinc/32/94/72/958329472.db2.gz	ZEQBHQXOHXRZBY-CHWSQXEVSA-N	-1	0	312.333	0.797	20	30		DCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001588445229	958371077	/nfs/dbraw/zinc/37/10/77/958371077.db2.gz	DPJGLYWXGPBLIJ-GRYCIOLGSA-N	-1	0	308.334	0.008	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001588451133	958406237	/nfs/dbraw/zinc/40/62/37/958406237.db2.gz	NBZDFHBRQCDMKW-JTQLQIEISA-N	-1	0	306.318	0.949	20	30		DCEDRM
C=CCCCCNC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001588459007	958468675	/nfs/dbraw/zinc/46/86/75/958468675.db2.gz	ZHLSVLARKKBEKS-AWEZNQCLSA-N	-1	0	300.355	0.854	20	30		DCEDRM
C#CCOCCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC001573327386	958489296	/nfs/dbraw/zinc/48/92/96/958489296.db2.gz	NANGYEPQYNLVFC-AWEZNQCLSA-N	-1	0	315.329	0.472	20	30		DCEDRM
C=CCN1CC[C@H](n2cc(CN3CCC[C@H]3C(=O)[O-])nn2)C1=O	ZINC001588465464	958503682	/nfs/dbraw/zinc/50/36/82/958503682.db2.gz	KZXASFLYTKHVHP-STQMWFEESA-N	-1	0	319.365	0.287	20	30		DCEDRM
C=CCOc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c1	ZINC001588469863	958521979	/nfs/dbraw/zinc/52/19/79/958521979.db2.gz	ZUCHFIMSQAPPPV-OAHLLOKOSA-N	-1	0	322.317	0.142	20	30		DCEDRM
C=CCn1c([C@@H](C)CO)nnc1N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588470752	958531162	/nfs/dbraw/zinc/53/11/62/958531162.db2.gz	URHCRBFHNWYKRJ-NHYWBVRUSA-N	-1	0	324.381	0.487	20	30		DCEDRM
CC1(C)CCCC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362101893	958740597	/nfs/dbraw/zinc/74/05/97/958740597.db2.gz	AZRVKELUSSVHFJ-LLVKDONJSA-N	-1	0	304.350	0.906	20	30		DCEDRM
C[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1ccccn1	ZINC001362170065	958865437	/nfs/dbraw/zinc/86/54/37/958865437.db2.gz	JUVVSVVLIZINGC-JTQLQIEISA-N	-1	0	313.317	0.483	20	30		DCEDRM
Cc1cccc(CNC(=O)[C@H](C#N)C(=O)COCC(=O)[O-])c1	ZINC001594403342	958866914	/nfs/dbraw/zinc/86/69/14/958866914.db2.gz	HVHGSMRSGRAZRG-GFCCVEGCSA-N	-1	0	304.302	0.421	20	30		DCEDRM
C[C@H]1CCCC[C@H]1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362197008	958911876	/nfs/dbraw/zinc/91/18/76/958911876.db2.gz	MKJTXDRUSBTKBL-QWRGUYRKSA-N	-1	0	304.350	0.763	20	30		DCEDRM
CC[C@H](CSC)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362422841	959328945	/nfs/dbraw/zinc/32/89/45/959328945.db2.gz	QXQYYWBEUIAIEP-SNVBAGLBSA-N	-1	0	310.379	0.468	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C	ZINC001362435049	959353096	/nfs/dbraw/zinc/35/30/96/959353096.db2.gz	UFXKIWDAKGLIGO-VXGBXAGGSA-N	-1	0	321.377	0.855	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N(C)C[C@@H](C)c1nnn[n-]1	ZINC001362491259	959459654	/nfs/dbraw/zinc/45/96/54/959459654.db2.gz	VTANMCHROYTUHQ-SECBINFHSA-N	-1	0	300.322	0.956	20	30		DCEDRM
CCN(C[C@H](C)OC)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362613961	959701141	/nfs/dbraw/zinc/70/11/41/959701141.db2.gz	UICYRGHODQOEFX-JTQLQIEISA-N	-1	0	308.338	0.094	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CCc2ccco2)c(=O)[n-]c1=O	ZINC001362686956	959828206	/nfs/dbraw/zinc/82/82/06/959828206.db2.gz	FDJSEOCSTSFANR-UHFFFAOYSA-N	-1	0	302.290	0.163	20	30		DCEDRM
CC[C@H]1CCC[C@H]1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362867090	960109635	/nfs/dbraw/zinc/10/96/35/960109635.db2.gz	GBDAAPMHGSTJCN-QWRGUYRKSA-N	-1	0	304.350	0.763	20	30		DCEDRM
Cc1ccc(-c2noc(Cn3c(=O)[n-]cc(C#N)c3=O)n2)cc1	ZINC001307359255	960149787	/nfs/dbraw/zinc/14/97/87/960149787.db2.gz	CRPMNMBORBOOEO-UHFFFAOYSA-N	-1	0	309.285	0.815	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C	ZINC001363073883	960374743	/nfs/dbraw/zinc/37/47/43/960374743.db2.gz	GDUNNBIKXZOVCM-ULQSSITMSA-N	-1	0	307.375	0.949	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@]2(CNC(=O)C2)C1	ZINC001363102176	960400538	/nfs/dbraw/zinc/40/05/38/960400538.db2.gz	FOZQSZGTKPRWFM-OAHLLOKOSA-N	-1	0	300.318	0.320	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C2(F)CCCCC2)c(=O)[n-]c1=O	ZINC001363129450	960441889	/nfs/dbraw/zinc/44/18/89/960441889.db2.gz	RNZLQVKRSJNPAE-UHFFFAOYSA-N	-1	0	308.313	0.609	20	30		DCEDRM
CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H]1CCC[C@@H]1C#N	ZINC001363128590	960442948	/nfs/dbraw/zinc/44/29/48/960442948.db2.gz	IBKSTYCABIJMGD-KOLCDFICSA-N	-1	0	300.322	0.222	20	30		DCEDRM
CN1CCOc2ccc(Nc3[n-]c(=O)n(C)c(=O)c3C#N)cc21	ZINC001363143469	960472569	/nfs/dbraw/zinc/47/25/69/960472569.db2.gz	NUNMVKPSSMYJIQ-UHFFFAOYSA-N	-1	0	313.317	0.517	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CNC(=O)c3ccccc32)[n-]c1C#N	ZINC001363163275	960516396	/nfs/dbraw/zinc/51/63/96/960516396.db2.gz	ZZZRGLPMCYSZBQ-SNVBAGLBSA-N	-1	0	306.285	0.619	20	30		DCEDRM
Cc1cc(N(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)ccc1O	ZINC001363220396	960634908	/nfs/dbraw/zinc/63/49/08/960634908.db2.gz	USSNZEOMZNWNRB-UHFFFAOYSA-N	-1	0	314.301	0.498	20	30		DCEDRM
COC[C@](C)(NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000392819780	972528283	/nfs/dbraw/zinc/52/82/83/972528283.db2.gz	PGUIESRXVHHJMY-ZDUSSCGKSA-N	-1	0	312.347	0.521	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)nc1	ZINC001571072326	960917948	/nfs/dbraw/zinc/91/79/48/960917948.db2.gz	SQRGGYKXHBEDBT-ZETOZRRWSA-N	-1	0	300.318	0.735	20	30		DCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCOCC(=O)[O-]	ZINC001588794693	961367956	/nfs/dbraw/zinc/36/79/56/961367956.db2.gz	GJEAHKBDCSEJJL-UHFFFAOYSA-N	-1	0	306.318	0.933	20	30		DCEDRM
CCOC[C@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CCO1	ZINC001363551823	961424034	/nfs/dbraw/zinc/42/40/34/961424034.db2.gz	LDVCJSFDNUOBEP-GFCCVEGCSA-N	-1	0	305.334	0.845	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)NCCNc1ccc(C#N)cn1	ZINC001574466205	961571808	/nfs/dbraw/zinc/57/18/08/961571808.db2.gz	ZRUKTJCYBVHKMM-UHFFFAOYSA-N	-1	0	314.305	0.227	20	30		DCEDRM
N#Cc1cc(C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)co1	ZINC001363684620	961694607	/nfs/dbraw/zinc/69/46/07/961694607.db2.gz	GWESLJZKLAEODB-UHFFFAOYSA-N	-1	0	300.274	0.650	20	30		DCEDRM
CN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ccc(C#N)nc1	ZINC001573979474	961754199	/nfs/dbraw/zinc/75/41/99/961754199.db2.gz	GNUTTYGKKWOLFE-GFCCVEGCSA-N	-1	0	316.317	0.239	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)NCc2nc(C(=O)[O-])co2)cc1	ZINC001571149711	961779136	/nfs/dbraw/zinc/77/91/36/961779136.db2.gz	IIVCKYUMJMAQNO-UHFFFAOYSA-N	-1	0	321.314	0.864	20	30		DCEDRM
C[C@H](O)C[C@H]1COCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001363798043	961910069	/nfs/dbraw/zinc/91/00/69/961910069.db2.gz	GNLFGYZRUNBLJM-GWCFXTLKSA-N	-1	0	317.349	0.278	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(C#N)cn2)C1	ZINC001574131693	962541584	/nfs/dbraw/zinc/54/15/84/962541584.db2.gz	PANDKZCKIXRVSH-OAHLLOKOSA-N	-1	0	318.333	0.586	20	30		DCEDRM
C#CCCCCC(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])C[C@H]1C	ZINC001573302299	962650178	/nfs/dbraw/zinc/65/01/78/962650178.db2.gz	URQADXIKOIPCHS-VXGBXAGGSA-N	-1	0	309.366	0.411	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC001573302915	962664394	/nfs/dbraw/zinc/66/43/94/962664394.db2.gz	RYVSIEGLCLCAPN-VIFPVBQESA-N	-1	0	313.331	0.056	20	30		DCEDRM
C=C1CC(C)(C(=O)N(CCNC(=O)CNC(=O)[O-])C2CC2)C1	ZINC001573344107	962912867	/nfs/dbraw/zinc/91/28/67/962912867.db2.gz	OJKPRWQLVQRGHY-UHFFFAOYSA-N	-1	0	309.366	0.718	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@H]1CCCN1C(=O)CNC(=O)[O-]	ZINC001573347885	962952845	/nfs/dbraw/zinc/95/28/45/962952845.db2.gz	PTIUSWNCLICMQS-LLVKDONJSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=CCCC(=O)N1CC[C@H]2CN(C(=O)CNC(=O)[O-])CC[C@H]21	ZINC001573353168	962997369	/nfs/dbraw/zinc/99/73/69/962997369.db2.gz	QFKFDGABMHEMBD-NWDGAFQWSA-N	-1	0	309.366	0.670	20	30		DCEDRM
C=CCOCCCC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573368663	963084589	/nfs/dbraw/zinc/08/45/89/963084589.db2.gz	JLNYQXYPHQCJKF-CHWSQXEVSA-N	-1	0	324.377	0.359	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)NCC(F)(F)C(=O)[O-]	ZINC000312518172	963571268	/nfs/dbraw/zinc/57/12/68/963571268.db2.gz	OCFVGKDQVYBIAC-UHFFFAOYSA-N	-1	0	304.274	0.865	20	30		DCEDRM
C#CCCCC(=O)NCCN(CC)c1ncc(C(=O)[O-])cn1	ZINC001588435493	964024223	/nfs/dbraw/zinc/02/42/23/964024223.db2.gz	SGWMWLYIAFIJHE-UHFFFAOYSA-N	-1	0	304.350	0.921	20	30		DCEDRM
C#CCCCCNC(=O)C(=O)NCc1ccc(C(=O)[O-])s1	ZINC001588441537	964052283	/nfs/dbraw/zinc/05/22/83/964052283.db2.gz	IHGCTDBACOMMSA-UHFFFAOYSA-N	-1	0	308.359	0.982	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnn3c2CCCC3)n1C	ZINC001588426566	969882082	/nfs/dbraw/zinc/88/20/82/969882082.db2.gz	OZXPZBQLKCXMLE-UHFFFAOYSA-N	-1	0	314.349	0.539	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)Cc1cccc(F)c1	ZINC001609692928	970451181	/nfs/dbraw/zinc/45/11/81/970451181.db2.gz	FWXSEIHSTXZAOO-DOMZBBRYSA-N	-1	0	308.309	0.850	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)O[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O	ZINC001609693059	970453758	/nfs/dbraw/zinc/45/37/58/970453758.db2.gz	RQTZNNQIDGWWEW-MYQWFSQQSA-N	-1	0	308.334	0.981	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC001609696229	970455923	/nfs/dbraw/zinc/45/59/23/970455923.db2.gz	DGCXWFVNXLZYQM-NWDGAFQWSA-N	-1	0	309.366	0.708	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000393796789	972641821	/nfs/dbraw/zinc/64/18/21/972641821.db2.gz	KPJSURRBXJJBPG-UHFFFAOYSA-N	-1	0	316.310	0.104	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)Cc1ccccc1CC#N	ZINC001604306822	972964100	/nfs/dbraw/zinc/96/41/00/972964100.db2.gz	VDMNSQUPYJTNIA-UHFFFAOYSA-N	-1	0	318.329	0.771	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001605244296	973004855	/nfs/dbraw/zinc/00/48/55/973004855.db2.gz	ASYYDCRSRUSSQJ-GFCCVEGCSA-N	-1	0	302.286	0.709	20	30		DCEDRM
C[C@H]1CCN(C(=O)NC2CCN(CC#N)CC2)C[C@@H]1C(=O)[O-]	ZINC001603417108	973125780	/nfs/dbraw/zinc/12/57/80/973125780.db2.gz	MGPVUZQBFADRLX-AAEUAGOBSA-N	-1	0	308.382	0.727	20	30		DCEDRM
C=C(C)C[C@H]([N-]S(=O)(=O)Cc1noc(C)n1)C(=O)OC	ZINC001475579406	1017123858	/nfs/dbraw/zinc/12/38/58/1017123858.db2.gz	SPLVDMKDPINJRG-VIFPVBQESA-N	-1	0	303.340	0.305	20	30		DCEDRM
COc1cc(C#N)ccc1Cn1cc(CN(C)CC(=O)[O-])nn1	ZINC001604685137	973879471	/nfs/dbraw/zinc/87/94/71/973879471.db2.gz	OMXWHPUIYRFMRM-UHFFFAOYSA-N	-1	0	315.333	0.723	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)C2	ZINC001605612171	973923800	/nfs/dbraw/zinc/92/38/00/973923800.db2.gz	JJDPHLXGGZVBQX-CJNGLKHVSA-N	-1	0	300.314	0.775	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nc1	ZINC001605612342	973925720	/nfs/dbraw/zinc/92/57/20/973925720.db2.gz	MXQXCOAGIWRBBM-NWDGAFQWSA-N	-1	0	321.358	0.685	20	30		DCEDRM
CCOC(=O)[C@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC12COC2	ZINC001603792158	974250386	/nfs/dbraw/zinc/25/03/86/974250386.db2.gz	IYUTVIPRNRGEMJ-QMTHXVAHSA-N	-1	0	324.333	0.029	20	30		DCEDRM
CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001604002823	974505363	/nfs/dbraw/zinc/50/53/63/974505363.db2.gz	FRLSLQCRUBVIMM-FIXISWKDSA-N	-1	0	319.365	0.853	20	30		DCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)[C@H](C)CC#N	ZINC001591720474	975651711	/nfs/dbraw/zinc/65/17/11/975651711.db2.gz	NNQAYSQRZITKNW-MNOVXSKESA-N	-1	0	321.399	0.275	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(C(=O)[O-])nc1	ZINC001592221324	977396960	/nfs/dbraw/zinc/39/69/60/977396960.db2.gz	BSGWDCKSYZQZRS-VIFPVBQESA-N	-1	0	312.351	0.348	20	30		DCEDRM
C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1	ZINC001592417798	978019328	/nfs/dbraw/zinc/01/93/28/978019328.db2.gz	CELKRPMHGSWDGI-NSHDSACASA-N	-1	0	315.395	0.101	20	30		DCEDRM
C[C@@H](CCO)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001592530320	978396009	/nfs/dbraw/zinc/39/60/09/978396009.db2.gz	PDWJCJXUUWEBTM-VIFPVBQESA-N	-1	0	312.347	0.553	20	30		DCEDRM
C[C@@](CO)(NCC(=O)Nc1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC001592748353	979296137	/nfs/dbraw/zinc/29/61/37/979296137.db2.gz	FCTAFUWMJWTVJD-ZDUSSCGKSA-N	-1	0	311.725	0.575	20	30		DCEDRM
CC[C@@](COC)(NCC(=O)NCc1cccc(C#N)c1)C(=O)[O-]	ZINC001595195118	979909871	/nfs/dbraw/zinc/90/98/71/979909871.db2.gz	OSIDCCHNWAOTTF-INIZCTEOSA-N	-1	0	319.361	0.644	20	30		DCEDRM
COC[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC001573990279	983149734	/nfs/dbraw/zinc/14/97/34/983149734.db2.gz	BTECCXLZPFPXSE-QMMMGPOBSA-N	-1	0	317.223	0.801	20	30		DCEDRM
Cn1cc(NC(=O)N2CCN(C(=O)CC#N)CC2)cc1C(=O)[O-]	ZINC001574213618	983195713	/nfs/dbraw/zinc/19/57/13/983195713.db2.gz	OBKOYBONKLVYOL-UHFFFAOYSA-N	-1	0	319.321	0.313	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588369110	983311309	/nfs/dbraw/zinc/31/13/09/983311309.db2.gz	AXNIMWRJMZRGMT-VIFPVBQESA-N	-1	0	306.322	0.169	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-]	ZINC001588370699	983321676	/nfs/dbraw/zinc/32/16/76/983321676.db2.gz	LHWONOZVQIAVMX-GFCCVEGCSA-N	-1	0	319.338	0.810	20	30		DCEDRM
C#CCC(CC#C)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001588389934	983390219	/nfs/dbraw/zinc/39/02/19/983390219.db2.gz	GCZOJFPPLGGFKK-UHFFFAOYSA-N	-1	0	302.330	0.871	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C	ZINC001588393029	983395856	/nfs/dbraw/zinc/39/58/56/983395856.db2.gz	ALIMRNHEUGUGLP-SNVBAGLBSA-N	-1	0	315.322	0.495	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588396447	983408498	/nfs/dbraw/zinc/40/84/98/983408498.db2.gz	YUVCXLZUICRACO-WULFKBJJSA-N	-1	0	324.377	0.736	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC001588407033	983427300	/nfs/dbraw/zinc/42/73/00/983427300.db2.gz	DQNNTDDAWBBOGD-AAEUAGOBSA-N	-1	0	318.329	0.894	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1ccccc1N1CCCC1=O)C(=O)[O-]	ZINC001588407760	983429477	/nfs/dbraw/zinc/42/94/77/983429477.db2.gz	OJMAPPAUNFGZHJ-CYBMUJFWSA-N	-1	0	314.341	0.949	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1Cc2ccccc2N1C(C)=O)C(=O)[O-]	ZINC001588407877	983429533	/nfs/dbraw/zinc/42/95/33/983429533.db2.gz	QFDBVQXUMVTJJU-JSGCOSHPSA-N	-1	0	300.314	0.557	20	30		DCEDRM
C#CC[C@H](NC(=O)c1c(C)nn(C)c1Br)C(=O)[O-]	ZINC001588413563	983431429	/nfs/dbraw/zinc/43/14/29/983431429.db2.gz	BDSBTJCHLIWGBJ-ZETCQYMHSA-N	-1	0	314.139	0.697	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(=O)[O-]	ZINC001588414555	983434487	/nfs/dbraw/zinc/43/44/87/983434487.db2.gz	VXOZLDGFRDYEKN-JTQLQIEISA-N	-1	0	320.257	0.572	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(F)c(F)cc1F)C(=O)[O-]	ZINC001588423302	983451839	/nfs/dbraw/zinc/45/18/39/983451839.db2.gz	CLNGDQKYJJJEEC-SECBINFHSA-N	-1	0	307.249	0.859	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(F)c(F)cc1F)C(=O)[O-]	ZINC001588423303	983452059	/nfs/dbraw/zinc/45/20/59/983452059.db2.gz	CLNGDQKYJJJEEC-VIFPVBQESA-N	-1	0	307.249	0.859	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)[C@H](CCC)C(=O)OCC)C(=O)[O-]	ZINC001588423973	983454393	/nfs/dbraw/zinc/45/43/93/983454393.db2.gz	QVYIJEMCKUJEQI-NXEZZACHSA-N	-1	0	305.352	0.114	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc2nc(C)oc2c1)C(=O)[O-]	ZINC001588428202	983460655	/nfs/dbraw/zinc/46/06/55/983460655.db2.gz	FVDDUNNIKCBLKA-NSHDSACASA-N	-1	0	308.315	0.891	20	30		DCEDRM
C#CCC1(O)CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1	ZINC001588430741	983464210	/nfs/dbraw/zinc/46/42/10/983464210.db2.gz	DQBOLLLFPUUXRU-UHFFFAOYSA-N	-1	0	301.364	0.174	20	30		DCEDRM
C#CCCOc1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])cc1	ZINC001588457852	983482556	/nfs/dbraw/zinc/48/25/56/983482556.db2.gz	HWNCZSLCUIGFIB-NSHDSACASA-N	-1	0	319.313	0.835	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H](C)[C@@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001588490241	983531214	/nfs/dbraw/zinc/53/12/14/983531214.db2.gz	WHXJHMJDXCYNQH-WDEREUQCSA-N	-1	0	320.349	0.520	20	30		DCEDRM
C#CCOc1ccc(NC(=O)NCC(=O)NCC(=O)[O-])cc1	ZINC001588497930	983542516	/nfs/dbraw/zinc/54/25/16/983542516.db2.gz	LYAUQPUTRNYAKC-UHFFFAOYSA-N	-1	0	305.290	0.021	20	30		DCEDRM
C#CCSCCn1nnnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588509569	983553407	/nfs/dbraw/zinc/55/34/07/983553407.db2.gz	KUYJQQMSXNWPAZ-NWDGAFQWSA-N	-1	0	321.406	0.587	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)OC)cn1	ZINC001588510819	983557229	/nfs/dbraw/zinc/55/72/29/983557229.db2.gz	KLJRAXYEUUSKAY-WCQYABFASA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1cncc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c1	ZINC001588528599	983577141	/nfs/dbraw/zinc/57/71/41/983577141.db2.gz	CKHMZPDKHYNCCS-LBPRGKRZSA-N	-1	0	311.301	0.440	20	30		DCEDRM
C#Cc1ccccc1CC(=O)NCCNc1ncc(C(=O)[O-])cn1	ZINC001588528654	983577477	/nfs/dbraw/zinc/57/74/77/983577477.db2.gz	DJCFZWRUNJHAII-UHFFFAOYSA-N	-1	0	324.340	0.927	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588529894	983582740	/nfs/dbraw/zinc/58/27/40/983582740.db2.gz	KMDJOYYLSHVWOA-VXGBXAGGSA-N	-1	0	308.378	0.884	20	30		DCEDRM
CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1	ZINC001596213745	983606569	/nfs/dbraw/zinc/60/65/69/983606569.db2.gz	QZNKXMKJLHUFPP-LBPRGKRZSA-N	-1	0	315.329	0.844	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)[O-]	ZINC001588547116	983618317	/nfs/dbraw/zinc/61/83/17/983618317.db2.gz	TYJHFDWGQQSNDA-SSDOTTSWSA-N	-1	0	302.308	0.076	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588548399	983624176	/nfs/dbraw/zinc/62/41/76/983624176.db2.gz	UCUBYCOVBUYNOX-WOSRLPQWSA-N	-1	0	324.377	0.407	20	30		DCEDRM
CCN(C[C@H](C)C#N)Cn1nc(C(=O)[O-])c2c(C)onc2c1=O	ZINC001596231521	983626780	/nfs/dbraw/zinc/62/67/80/983626780.db2.gz	OXUNHDHXYGOMOJ-MRVPVSSYSA-N	-1	0	319.321	0.830	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-]	ZINC001588555948	983638196	/nfs/dbraw/zinc/63/81/96/983638196.db2.gz	XUJRPMMHXJTRGS-JTQLQIEISA-N	-1	0	301.368	0.909	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)OC	ZINC001588555936	983638360	/nfs/dbraw/zinc/63/83/60/983638360.db2.gz	XJZWNAVADUSMFO-JTQLQIEISA-N	-1	0	316.335	0.499	20	30		DCEDRM
C=C(C)Cn1c([C@H](C)O)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588599560	983690727	/nfs/dbraw/zinc/69/07/27/983690727.db2.gz	WYBBBRXMPMKUDO-IINYFYTJSA-N	-1	0	310.354	0.587	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCc2c(nc(C)n2CCO)C1	ZINC001588622720	983725058	/nfs/dbraw/zinc/72/50/58/983725058.db2.gz	DEOHAYBETGXXQV-LBPRGKRZSA-N	-1	0	321.377	0.578	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001596300070	983727983	/nfs/dbraw/zinc/72/79/83/983727983.db2.gz	LHCALQMURDNTMJ-JQWIXIFHSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-]	ZINC001588633855	983751341	/nfs/dbraw/zinc/75/13/41/983751341.db2.gz	SQGQIYXUYPVUKW-NSHDSACASA-N	-1	0	301.339	0.832	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccnc(C#N)n1	ZINC001596332483	983770589	/nfs/dbraw/zinc/77/05/89/983770589.db2.gz	JFRRLSTWBSWYCH-UWVGGRQHSA-N	-1	0	303.322	0.011	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C2	ZINC001588672475	983825474	/nfs/dbraw/zinc/82/54/74/983825474.db2.gz	SQVQVFNESUMIBQ-NEPJUHHUSA-N	-1	0	320.389	0.980	20	30		DCEDRM
C=C[C@H](C(=O)[O-])n1cc(CN2CCCC[C@@H]2C(=O)OC)nn1	ZINC001588672547	983825957	/nfs/dbraw/zinc/82/59/57/983825957.db2.gz	VUJXPNQAUPAWMO-VXGBXAGGSA-N	-1	0	308.338	0.617	20	30		DCEDRM
C=C[C@](C)(O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC001588682823	983845437	/nfs/dbraw/zinc/84/54/37/983845437.db2.gz	QUWLONWBKPMTFG-HNNXBMFYSA-N	-1	0	306.318	0.767	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(C)c1ccnc(C(=O)[O-])n1	ZINC001588684789	983864037	/nfs/dbraw/zinc/86/40/37/983864037.db2.gz	YFAGNSYVXSZIFG-BMIGLBTASA-N	-1	0	322.365	0.443	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C[C@@H]1CCCO1	ZINC001588704984	983925442	/nfs/dbraw/zinc/92/54/42/983925442.db2.gz	JJDCEVQBYHUVOG-WOPDTQHZSA-N	-1	0	322.365	0.587	20	30		DCEDRM
C=C[C@H](O)C(=O)N[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O	ZINC001588705174	983926660	/nfs/dbraw/zinc/92/66/60/983926660.db2.gz	KUOOFSCSDIAVMD-RYUDHWBXSA-N	-1	0	304.302	0.301	20	30		DCEDRM
C=C[C@H](OC(=O)Cc1c(Br)cnn1C)C(=O)[O-]	ZINC001588712392	983943679	/nfs/dbraw/zinc/94/36/79/983943679.db2.gz	VRGJHIQVDLDEKP-QMMMGPOBSA-N	-1	0	303.112	0.908	20	30		DCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588719869	983963140	/nfs/dbraw/zinc/96/31/40/983963140.db2.gz	ZVPKNESOPUCJHM-STQMWFEESA-N	-1	0	324.377	0.238	20	30		DCEDRM
C=CCCC(=O)NC[C@H]1COCCN1c1ncc(C(=O)[O-])cn1	ZINC001588774000	984150345	/nfs/dbraw/zinc/15/03/45/984150345.db2.gz	OFAMDGQHEXOPTD-LBPRGKRZSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)[C@@H]1CC(=O)N(CC)C1)C(=O)[O-]	ZINC001588797884	984231549	/nfs/dbraw/zinc/23/15/49/984231549.db2.gz	MYMDKALIWJTEAM-MNOVXSKESA-N	-1	0	318.395	0.336	20	30		DCEDRM
C=CCCCN(CC)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001588801692	984246761	/nfs/dbraw/zinc/24/67/61/984246761.db2.gz	UONCOBJRHHSMJU-RYUDHWBXSA-N	-1	0	312.366	0.095	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1	ZINC001588803730	984251768	/nfs/dbraw/zinc/25/17/68/984251768.db2.gz	GWIDIZWCXLJKRV-LBPRGKRZSA-N	-1	0	304.412	0.763	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN[C@H](C(=O)[O-])c1cccc(O)c1	ZINC001588844429	984358164	/nfs/dbraw/zinc/35/81/64/984358164.db2.gz	YPYVTIPXXSHCAK-LBPRGKRZSA-N	-1	0	307.306	0.119	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2ccoc2C(=O)[O-])CC1	ZINC001588844716	984359363	/nfs/dbraw/zinc/35/93/63/984359363.db2.gz	PTMWXJCBTXLIJO-UHFFFAOYSA-N	-1	0	307.350	0.398	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C(=O)Nc1ccc(C)cc1)C(=O)[O-]	ZINC001588851083	984383321	/nfs/dbraw/zinc/38/33/21/984383321.db2.gz	TYLFUEYATQYDNU-LBPRGKRZSA-N	-1	0	306.318	0.706	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCCn1ccccc1=O)C(=O)[O-]	ZINC001588854202	984388531	/nfs/dbraw/zinc/38/85/31/984388531.db2.gz	QYCMEWRZYOUGSI-GFCCVEGCSA-N	-1	0	308.334	0.401	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588854166	984388934	/nfs/dbraw/zinc/38/89/34/984388934.db2.gz	PWASNBOZXQQNOC-JTQLQIEISA-N	-1	0	316.354	0.673	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cn1ncc2cccnc21)C(=O)[O-]	ZINC001588856259	984398483	/nfs/dbraw/zinc/39/84/83/984398483.db2.gz	FRLJJDSQAVMBBD-LLVKDONJSA-N	-1	0	304.306	0.203	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1COc2ccc(O)cc2O1)C(=O)[O-]	ZINC001588856416	984400029	/nfs/dbraw/zinc/40/00/29/984400029.db2.gz	YUZSGFLMNPDORF-GXFFZTMASA-N	-1	0	323.301	0.304	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cn1c(C)c(C)sc1=O)C(=O)[O-]	ZINC001588857412	984402937	/nfs/dbraw/zinc/40/29/37/984402937.db2.gz	XZYSNWAUVFAYIG-SNVBAGLBSA-N	-1	0	314.363	0.299	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnn2cc(C)cnc12)C(=O)[O-]	ZINC001588860005	984410270	/nfs/dbraw/zinc/41/02/70/984410270.db2.gz	FMOXZSWXDNDRSM-LLVKDONJSA-N	-1	0	304.306	0.423	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ncoc1[C@H]1CCCO1)C(=O)[O-]	ZINC001588860089	984410597	/nfs/dbraw/zinc/41/05/97/984410597.db2.gz	IKUSIUMPSIHAOB-VHSXEESVSA-N	-1	0	310.306	0.912	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccsc1C(=O)OC)C(=O)[O-]	ZINC001588860121	984410627	/nfs/dbraw/zinc/41/06/27/984410627.db2.gz	JSBZWJAVXZZCON-SECBINFHSA-N	-1	0	313.331	0.920	20	30		DCEDRM
C=CCOC[C@@H](NCc1cc(C(=O)[O-])c(C)n1C)C(=O)OC	ZINC001588866411	984425017	/nfs/dbraw/zinc/42/50/17/984425017.db2.gz	PAQWPSOPNYFTEF-CYBMUJFWSA-N	-1	0	310.350	0.866	20	30		DCEDRM
C=CCOc1ccccc1C(=O)O[C@H](C)C(=O)NCC(=O)[O-]	ZINC001588877198	984451679	/nfs/dbraw/zinc/45/16/79/984451679.db2.gz	BJYKDBBWEMFYIC-SNVBAGLBSA-N	-1	0	307.302	0.998	20	30		DCEDRM
C=CCn1c([C@@H](CC)CO)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001588896573	984502580	/nfs/dbraw/zinc/50/25/80/984502580.db2.gz	SHKXUIWQMISQCU-NWDGAFQWSA-N	-1	0	324.381	0.630	20	30		DCEDRM
C=CCn1c(CC)nnc1N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588897341	984509266	/nfs/dbraw/zinc/50/92/66/984509266.db2.gz	KDIHPVKREYEJGJ-CQSZACIVSA-N	-1	0	305.338	0.836	20	30		DCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588901326	984524064	/nfs/dbraw/zinc/52/40/64/984524064.db2.gz	UIOKIJUWMWYSCP-WCFLWFBJSA-N	-1	0	320.393	0.934	20	30		DCEDRM
C=CCn1cc(C(=O)OCc2noc(CCC(=O)[O-])n2)nn1	ZINC001588909377	984543441	/nfs/dbraw/zinc/54/34/41/984543441.db2.gz	RLDYGGFGLLDFLP-UHFFFAOYSA-N	-1	0	307.266	0.221	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)nn1	ZINC001588909790	984545214	/nfs/dbraw/zinc/54/52/14/984545214.db2.gz	AIRQLFHSCOPYAR-VIFPVBQESA-N	-1	0	316.321	0.624	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC(CC(=O)[O-])C1	ZINC001588916617	984562198	/nfs/dbraw/zinc/56/21/98/984562198.db2.gz	VAMQQNRLQLHWHO-ADPBJBESSA-N	-1	0	310.350	0.063	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC001588926306	984592702	/nfs/dbraw/zinc/59/27/02/984592702.db2.gz	QUIUVPZRMSKUMO-MRVPVSSYSA-N	-1	0	310.331	0.275	20	30		DCEDRM
CC#CCCNC(=O)C(=O)NCc1cc(C(=O)[O-])c(C)n1C	ZINC001588927063	984596424	/nfs/dbraw/zinc/59/64/24/984596424.db2.gz	KTZXQRIJLRPGIE-UHFFFAOYSA-N	-1	0	305.334	0.178	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)s1	ZINC001596884755	985776891	/nfs/dbraw/zinc/77/68/91/985776891.db2.gz	QIIDHQYZWZHVRQ-SECBINFHSA-N	-1	0	318.376	0.730	20	30		DCEDRM
C[C@@H](C#N)C(=O)N(C)[C@@H](CNc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001589324153	986154682	/nfs/dbraw/zinc/15/46/82/986154682.db2.gz	WJSUEKPNKZNEMG-ONGXEEELSA-N	-1	0	317.349	0.405	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001589328373	986156818	/nfs/dbraw/zinc/15/68/18/986156818.db2.gz	AOOHUDMVICRREE-ADEWGFFLSA-N	-1	0	307.350	0.174	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@@H]1CN(C)c1ccnc(C(=O)[O-])n1	ZINC001589328580	986157777	/nfs/dbraw/zinc/15/77/77/986157777.db2.gz	CTPMVEIPZCNTHB-GHMZBOCLSA-N	-1	0	317.349	0.762	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@]1(C)CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001589329776	986165704	/nfs/dbraw/zinc/16/57/04/986165704.db2.gz	SFVUTEXPUPLVAP-LKFCYVNXSA-N	-1	0	303.322	0.419	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNc1ncc(C(=O)[O-])cn1	ZINC001589329966	986169028	/nfs/dbraw/zinc/16/90/28/986169028.db2.gz	XANHWVNVTSOPKD-GXSJLCMTSA-N	-1	0	303.322	0.737	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001589330098	986170300	/nfs/dbraw/zinc/17/03/00/986170300.db2.gz	YFZQEHNDWLDVAA-MNOVXSKESA-N	-1	0	317.349	0.667	20	30		DCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001589330430	986172552	/nfs/dbraw/zinc/17/25/52/986172552.db2.gz	DYEULYKUXXAWPP-ZCFIWIBFSA-N	-1	0	311.244	0.877	20	30		DCEDRM
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC(C)(C)C(=O)[O-]	ZINC001589336189	986219694	/nfs/dbraw/zinc/21/96/94/986219694.db2.gz	XJFPBUWNEGLCOL-VIFPVBQESA-N	-1	0	319.317	0.895	20	30		DCEDRM
C[C@H](C(=O)N[C@@H](CC(=O)[O-])C1CCCC1)n1cnc(C#N)n1	ZINC001589381099	986462588	/nfs/dbraw/zinc/46/25/88/986462588.db2.gz	LYFYZPWXGAARQD-KOLCDFICSA-N	-1	0	305.338	0.860	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC001450706959	1015310306	/nfs/dbraw/zinc/31/03/06/1015310306.db2.gz	ZAOJBQUFGQGSHM-VIFPVBQESA-N	-1	0	319.365	0.646	20	30		DCEDRM
CC(C)(C)C#CC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001589681880	987716092	/nfs/dbraw/zinc/71/60/92/987716092.db2.gz	JHIKIGIOFJXCLK-LLVKDONJSA-N	-1	0	316.361	0.659	20	30		DCEDRM
CC(C)(C)[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001589712638	987848317	/nfs/dbraw/zinc/84/83/17/987848317.db2.gz	CXQUWEIPXKWOIO-NPRUJURCSA-N	-1	0	323.349	0.518	20	30		DCEDRM
CC(C)(C)OC(=O)NCCOCCN(CC#N)CC(=O)[O-]	ZINC001590200256	989558211	/nfs/dbraw/zinc/55/82/11/989558211.db2.gz	BXCIUNHLIFLBHQ-UHFFFAOYSA-N	-1	0	301.343	0.438	20	30		DCEDRM
CCn1nc(C)c(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001597938554	989913511	/nfs/dbraw/zinc/91/35/11/989913511.db2.gz	YYNKMJIIPMKRET-UHFFFAOYSA-N	-1	0	320.353	0.506	20	30		DCEDRM
CN(C(=O)CN1CCC(C#N)(C(=O)[O-])CC1)c1nccs1	ZINC001598022467	990213881	/nfs/dbraw/zinc/21/38/81/990213881.db2.gz	GLYRCVZFSBKOFB-UHFFFAOYSA-N	-1	0	308.363	0.796	20	30		DCEDRM
CC(C)(CCC#N)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001590654537	990347097	/nfs/dbraw/zinc/34/70/97/990347097.db2.gz	OSSDNBGPANNRJH-LLVKDONJSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CC(C)C#CC(=O)N1[C@H](C(=O)NCCC(=O)[O-])CS[C@H]1C	ZINC001590927132	990930594	/nfs/dbraw/zinc/93/05/94/990930594.db2.gz	SHRPQTQEAGONPQ-QWRGUYRKSA-N	-1	0	312.391	0.527	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001590927273	990932469	/nfs/dbraw/zinc/93/24/69/990932469.db2.gz	XMWRKFFCRBSYHS-OLZOCXBDSA-N	-1	0	306.362	0.474	20	30		DCEDRM
C[S@@](=N)(=O)N1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001599742414	991878495	/nfs/dbraw/zinc/87/84/95/991878495.db2.gz	IJEPQJSCIDWNEZ-NRFANRHFSA-N	-1	0	309.351	0.365	20	30		DCEDRM
CN(CCNC(=O)c1cc(C#N)c[nH]1)c1ccnc(C(=O)[O-])n1	ZINC001598492096	992309306	/nfs/dbraw/zinc/30/93/06/992309306.db2.gz	GIXOORKJKKEXEI-UHFFFAOYSA-N	-1	0	314.305	0.241	20	30		DCEDRM
C[N@H+](Cc1cc(=O)n2[n-]cc(C#N)c2n1)C(C)(C)CC(=O)[O-]	ZINC001598508516	992536179	/nfs/dbraw/zinc/53/61/79/992536179.db2.gz	MJJASFQJKHCGDE-UHFFFAOYSA-N	-1	0	303.322	0.992	20	30		DCEDRM
CC(C)NC(=O)N1CCC[C@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001591647387	992968219	/nfs/dbraw/zinc/96/82/19/992968219.db2.gz	KCYJOQFKKBQWLE-NSHDSACASA-N	-1	0	310.354	0.396	20	30		DCEDRM
CN1C[C@@H](C(=O)[O-])N(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1=O	ZINC001598562415	993101691	/nfs/dbraw/zinc/10/16/91/993101691.db2.gz	AQCAVUSFYQZVIC-LBPRGKRZSA-N	-1	0	318.289	0.194	20	30		DCEDRM
CN1C[C@H](C(=O)[O-])N(CCCC2(C#N)CCOCC2)CC1=O	ZINC001598564098	993122157	/nfs/dbraw/zinc/12/21/57/993122157.db2.gz	QDAXCIRPMSYDHM-GFCCVEGCSA-N	-1	0	309.366	0.314	20	30		DCEDRM
COc1ccc(S(=O)(=O)N(C)[C@H](C)C#N)c(CC(=O)[O-])c1	ZINC001599608535	993920818	/nfs/dbraw/zinc/92/08/18/993920818.db2.gz	GOHNYHYSGNOLIO-SECBINFHSA-N	-1	0	312.347	0.855	20	30		DCEDRM
C#CCCCS(=O)(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[nH]2)C1	ZINC001464531147	1015918111	/nfs/dbraw/zinc/91/81/11/1015918111.db2.gz	RHQAIZVQMZIQOG-GFCCVEGCSA-N	-1	0	324.406	0.402	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)[nH]1	ZINC001598749356	995632130	/nfs/dbraw/zinc/63/21/30/995632130.db2.gz	FHIHTYPSHHQZKM-LDYMZIIASA-N	-1	0	305.290	0.365	20	30		DCEDRM
C[C@@H](OC(=O)c1cc(C#N)ccn1)c1cn(CC(=O)[O-])nn1	ZINC001593554996	995637763	/nfs/dbraw/zinc/63/77/63/995637763.db2.gz	XIULSPSSWQJWIR-MRVPVSSYSA-N	-1	0	301.262	0.547	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)cn1	ZINC001598753687	995687652	/nfs/dbraw/zinc/68/76/52/995687652.db2.gz	QYPWYGYFTMBTBX-PWSUYJOCSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1Cc1ccnc(C#N)c1	ZINC001598762138	995787772	/nfs/dbraw/zinc/78/77/72/995787772.db2.gz	ULUJQMITCNFNLV-AAEUAGOBSA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccnc(C#N)c1	ZINC001598770794	995882168	/nfs/dbraw/zinc/88/21/68/995882168.db2.gz	QIZXOGAYHYIQKO-PWSUYJOCSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(C#N)o1	ZINC001598773081	995902387	/nfs/dbraw/zinc/90/23/87/995902387.db2.gz	XWJWBTGROWSRDD-SCZZXKLOSA-N	-1	0	306.274	0.630	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(Cc2nc(C#N)cs2)C1	ZINC001598781507	995989228	/nfs/dbraw/zinc/98/92/28/995989228.db2.gz	XDJLMQYZYUYCFF-PSASIEDQSA-N	-1	0	309.347	0.853	20	30		DCEDRM
COC(=O)CC[C@@H](NC(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC001598857125	996647005	/nfs/dbraw/zinc/64/70/05/996647005.db2.gz	SFTREMAQEQOPRU-GFCCVEGCSA-N	-1	0	304.302	0.623	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(C)c2C#N)C1	ZINC001599078683	996941771	/nfs/dbraw/zinc/94/17/71/996941771.db2.gz	IQNNUOALMGIMDY-AWEZNQCLSA-N	-1	0	324.358	0.731	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001466522878	1016085685	/nfs/dbraw/zinc/08/56/85/1016085685.db2.gz	ZIXAZQHQBSMPLG-JTQLQIEISA-N	-1	0	318.333	0.181	20	30		DCEDRM
CON=Cc1ccc(C(=O)OCC(=O)NCCC(=O)[O-])cc1	ZINC001599320506	997572532	/nfs/dbraw/zinc/57/25/32/997572532.db2.gz	ITIQNPDSKUXDPV-UHFFFAOYSA-N	-1	0	308.290	0.415	20	30		DCEDRM
COc1c2cnn(C)c2ncc1C(=O)N(CC#N)CC(=O)[O-]	ZINC001599329085	997716406	/nfs/dbraw/zinc/71/64/06/997716406.db2.gz	VOULGITWVMEGLZ-UHFFFAOYSA-N	-1	0	303.278	0.027	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@H](C(=O)[O-])C1	ZINC001599122014	997755288	/nfs/dbraw/zinc/75/52/88/997755288.db2.gz	ZDJMBMBOVWUMQE-NEPJUHHUSA-N	-1	0	304.302	0.968	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC001599233303	997902065	/nfs/dbraw/zinc/90/20/65/997902065.db2.gz	HSTMSOHARWPVTB-QPJJXVBHSA-N	-1	0	324.358	0.945	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC001599233666	997907636	/nfs/dbraw/zinc/90/76/36/997907636.db2.gz	SYZQNKAFPUKGCC-UHFFFAOYSA-N	-1	0	312.347	0.687	20	30		DCEDRM
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](CO)C(=O)[O-]	ZINC001599350479	998085083	/nfs/dbraw/zinc/08/50/83/998085083.db2.gz	UEXHOGKQHJAAOO-NSHDSACASA-N	-1	0	322.317	0.288	20	30		DCEDRM
COc1cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])ccc1C#N	ZINC001599354745	998160577	/nfs/dbraw/zinc/16/05/77/998160577.db2.gz	UNFCWAAGJQNYIV-LBPRGKRZSA-N	-1	0	314.301	0.716	20	30		DCEDRM
COc1ccc(-n2cc(C(=O)N(CC#N)CC(=O)[O-])nn2)cc1	ZINC001599473728	998492131	/nfs/dbraw/zinc/49/21/31/998492131.db2.gz	PJIIQYPXJNWBBV-UHFFFAOYSA-N	-1	0	315.289	0.326	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCCNc1ccc(C#N)cn1	ZINC001594150970	998526446	/nfs/dbraw/zinc/52/64/46/998526446.db2.gz	UWXTUNVVYVSJKO-ZYHUDNBSSA-N	-1	0	317.349	0.870	20	30		DCEDRM
CC[C@@H](C)C[C@@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001469030222	1016301452	/nfs/dbraw/zinc/30/14/52/1016301452.db2.gz	OREXINYZVFJTGP-GHMZBOCLSA-N	-1	0	321.381	0.944	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc(F)s2)c(=O)[n-]c1=O	ZINC001418536532	1000323585	/nfs/dbraw/zinc/32/35/85/1000323585.db2.gz	MWWOXTGOUHSVMO-UHFFFAOYSA-N	-1	0	308.294	0.451	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2coc(C3CC3)n2)c(=O)[n-]c1=O	ZINC001418536560	1000324457	/nfs/dbraw/zinc/32/44/57/1000324457.db2.gz	NTRBPBRYGSBQHN-UHFFFAOYSA-N	-1	0	315.289	0.116	20	30		DCEDRM
CC(C)C[C@@H]1C[C@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001470469097	1016437373	/nfs/dbraw/zinc/43/73/73/1016437373.db2.gz	OLCBWLZGWRTYKA-ZYHUDNBSSA-N	-1	0	319.365	0.554	20	30		DCEDRM
COc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c(F)c1	ZINC001471134898	1016535385	/nfs/dbraw/zinc/53/53/85/1016535385.db2.gz	WRGSMCFCIPEMQF-UHFFFAOYSA-N	-1	0	318.264	0.607	20	30		DCEDRM
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]c1cccc(CC#N)n1	ZINC001424747833	1001973727	/nfs/dbraw/zinc/97/37/27/1001973727.db2.gz	WJKRFLBFOYWIQA-IBGZPJMESA-N	-1	0	317.396	0.379	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)cc1	ZINC001420661771	1002767407	/nfs/dbraw/zinc/76/74/07/1002767407.db2.gz	LXHTXAAQWIKULR-UHFFFAOYSA-N	-1	0	321.296	0.389	20	30		DCEDRM
C#CCN(C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C(C)C	ZINC001471997593	1016704323	/nfs/dbraw/zinc/70/43/23/1016704323.db2.gz	IDRBCCHRCVUAOR-UHFFFAOYSA-N	-1	0	300.318	0.750	20	30		DCEDRM
C[C@H](CCO)C1(CNc2[n-]c(=O)n(C)c(=O)c2C#N)CCC1	ZINC001421087700	1003304919	/nfs/dbraw/zinc/30/49/19/1003304919.db2.gz	LIQVNRWWBOJJFQ-SNVBAGLBSA-N	-1	0	306.366	0.546	20	30		DCEDRM
CC(C)[C@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccnn1C	ZINC001421134037	1003367465	/nfs/dbraw/zinc/36/74/65/1003367465.db2.gz	YEWUNAQCMRIJKT-NSHDSACASA-N	-1	0	316.365	0.530	20	30		DCEDRM
Cc1cccc([C@@H](O)CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001472727952	1016848864	/nfs/dbraw/zinc/84/88/64/1016848864.db2.gz	RBZUEAJXCXGXNU-LBPRGKRZSA-N	-1	0	300.318	0.399	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccnc(OC(F)F)c2)c(C#N)c1=O	ZINC001472778459	1016850549	/nfs/dbraw/zinc/85/05/49/1016850549.db2.gz	INKILTOACUCRKL-UHFFFAOYSA-N	-1	0	323.259	0.554	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NCCC(F)(F)F)c(=O)[n-]c1=O	ZINC001426999028	1004153794	/nfs/dbraw/zinc/15/37/94/1004153794.db2.gz	KRERKUQWBCLMKY-UHFFFAOYSA-N	-1	0	319.243	0.072	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCc3c(CC#N)cccc3C2)c(C#N)c1=O	ZINC001472846517	1016860805	/nfs/dbraw/zinc/86/08/05/1016860805.db2.gz	DEYLERVTADYZTF-UHFFFAOYSA-N	-1	0	321.340	0.574	20	30		DCEDRM
C[C@@H]1C[C@@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CS1	ZINC001427758915	1004586204	/nfs/dbraw/zinc/58/62/04/1004586204.db2.gz	WBYZESGSXBKPCB-PSASIEDQSA-N	-1	0	323.378	0.014	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(C#N)cn2)on1	ZINC001414276217	1005273231	/nfs/dbraw/zinc/27/32/31/1005273231.db2.gz	RJXFDKJLZOYANJ-UHFFFAOYSA-N	-1	0	322.302	0.206	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NCCC2CCC2)c(=O)[n-]c1=O	ZINC001414723787	1005390613	/nfs/dbraw/zinc/39/06/13/1005390613.db2.gz	AXAWCDRGOYJVGZ-UHFFFAOYSA-N	-1	0	305.338	0.310	20	30		DCEDRM
CCn1cc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001417608442	1005850399	/nfs/dbraw/zinc/85/03/99/1005850399.db2.gz	MPLKQWPKOIRUCJ-UHFFFAOYSA-N	-1	0	302.294	0.066	20	30		DCEDRM
N#C[C@H]1COCCN1C(=O)c1nc[n-]c(=O)c1Br	ZINC001417643039	1005858801	/nfs/dbraw/zinc/85/88/01/1005858801.db2.gz	RJHAAAYYTHDLOP-LURJTMIESA-N	-1	0	313.111	0.309	20	30		DCEDRM
CO[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@@H]1C	ZINC001417871887	1005910506	/nfs/dbraw/zinc/91/05/06/1005910506.db2.gz	QSSWLCIVAGEDKM-JQWIXIFHSA-N	-1	0	320.349	0.094	20	30		DCEDRM
C=CCOCC(=O)N(C)[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001508815868	1017046054	/nfs/dbraw/zinc/04/60/54/1017046054.db2.gz	QXMQEJQAXCDGFW-VIFPVBQESA-N	-1	0	310.354	0.203	20	30		DCEDRM
CCc1cc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)nn1C	ZINC001451880882	1006469246	/nfs/dbraw/zinc/46/92/46/1006469246.db2.gz	WYPWDXLXRNSKTA-UHFFFAOYSA-N	-1	0	316.321	0.145	20	30		DCEDRM
C#CCO[N-]C(=O)CSc1ccc(S(N)(=O)=O)cc1	ZINC001453281132	1007376261	/nfs/dbraw/zinc/37/62/61/1007376261.db2.gz	PCLMWXKSBSEOOV-UHFFFAOYSA-N	-1	0	300.361	0.107	20	30		DCEDRM
N#Cc1cccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001441133354	1008234762	/nfs/dbraw/zinc/23/47/62/1008234762.db2.gz	LVOURPVWAGXGJG-UHFFFAOYSA-N	-1	0	309.285	0.009	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cnc3cc[nH]c3c2)c(=O)[n-]c1=O	ZINC001453841712	1008754877	/nfs/dbraw/zinc/75/48/77/1008754877.db2.gz	OVKWOZVHDFJKIG-UHFFFAOYSA-N	-1	0	324.300	0.127	20	30		DCEDRM
Cc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001453841877	1008756268	/nfs/dbraw/zinc/75/62/68/1008756268.db2.gz	JJMQEEQEQLCCPY-UHFFFAOYSA-N	-1	0	304.331	0.621	20	30		DCEDRM
CC(C)(C)C[C@@H](O)CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001453847168	1008756618	/nfs/dbraw/zinc/75/66/18/1008756618.db2.gz	YHIWPAAJDBRORU-NSHDSACASA-N	-1	0	322.365	0.124	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2ccc3nccn3c2)c(=O)[n-]c1=O	ZINC001453885917	1008783979	/nfs/dbraw/zinc/78/39/79/1008783979.db2.gz	SVTOYXALVKULSB-UHFFFAOYSA-N	-1	0	324.300	0.497	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCN(C(N)=O)C2)cc1C#N	ZINC001433666603	1009045896	/nfs/dbraw/zinc/04/58/96/1009045896.db2.gz	ZRBVLBQNBPMWLY-MRVPVSSYSA-N	-1	0	321.362	0.264	20	30		DCEDRM
C[C@H](C#N)C(=O)NC1(C2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1	ZINC001442270213	1009146928	/nfs/dbraw/zinc/14/69/28/1009146928.db2.gz	BSPMZPJCNGVQPE-SNVBAGLBSA-N	-1	0	318.381	0.531	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCC(F)(F)[C@@H](CO)C1)cc2=O	ZINC001421850140	1009163051	/nfs/dbraw/zinc/16/30/51/1009163051.db2.gz	GSSYJAODOXVOCA-SNVBAGLBSA-N	-1	0	323.303	0.756	20	30		DCEDRM
CCOC[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001433776495	1009169352	/nfs/dbraw/zinc/16/93/52/1009169352.db2.gz	ZBENDTOKYIWMDC-NSHDSACASA-N	-1	0	320.349	0.096	20	30		DCEDRM
Cc1cc(NC(=O)CSc2n[nH]c(=O)[n-]2)nn1CCC#N	ZINC001433870128	1009283695	/nfs/dbraw/zinc/28/36/95/1009283695.db2.gz	PDGSBHIHXLNROQ-UHFFFAOYSA-N	-1	0	307.339	0.660	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1nnc(C2CC2)n1C	ZINC001433872602	1009287940	/nfs/dbraw/zinc/28/79/40/1009287940.db2.gz	XFKQKCOSUCBCMT-UHFFFAOYSA-N	-1	0	312.333	0.903	20	30		DCEDRM
CCC(O)(CC)CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001433907462	1009336321	/nfs/dbraw/zinc/33/63/21/1009336321.db2.gz	SAJDRLWHDLCKPD-UHFFFAOYSA-N	-1	0	322.365	0.268	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](CO)[C@@H]1CCOC1	ZINC001433941128	1009377585	/nfs/dbraw/zinc/37/75/85/1009377585.db2.gz	BYQWOKZUHXPFEA-PWSUYJOCSA-N	-1	0	305.334	0.342	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)c1nnnn1C1CC1	ZINC001434299769	1009736996	/nfs/dbraw/zinc/73/69/96/1009736996.db2.gz	CHRIUGGXDJDPPM-MRVPVSSYSA-N	-1	0	313.321	0.780	20	30		DCEDRM
Cn1[n-]nnc1=NC(=O)c1ccc(COc2ccccc2C#N)o1	ZINC001520629907	1017296774	/nfs/dbraw/zinc/29/67/74/1017296774.db2.gz	XDACSEFHDTYWGG-UHFFFAOYSA-N	-1	0	324.300	0.928	20	30		DCEDRM
C#CCC1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCC1	ZINC001558480409	1012359567	/nfs/dbraw/zinc/35/95/67/1012359567.db2.gz	GMCBJNFOBCPGSG-UHFFFAOYSA-N	-1	0	308.359	0.715	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC(CNC(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC001446801330	1012995158	/nfs/dbraw/zinc/99/51/58/1012995158.db2.gz	WCEGRVBALCESMS-SECBINFHSA-N	-1	0	319.365	0.552	20	30		DCEDRM
Cc1cc(N(C)C)ccc1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001515469928	1017123568	/nfs/dbraw/zinc/12/35/68/1017123568.db2.gz	JYZFEFFNJKHNHE-UHFFFAOYSA-N	-1	0	313.361	0.932	20	30		DCEDRM
C[C@H](NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccc[nH]1	ZINC001478366947	1017344355	/nfs/dbraw/zinc/34/43/55/1017344355.db2.gz	VMFXPSRTWLFSLI-VIFPVBQESA-N	-1	0	316.321	0.209	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)C#CC(C)C)c1[O-]	ZINC001500176969	1018271734	/nfs/dbraw/zinc/27/17/34/1018271734.db2.gz	HDHZHFXGFNIYHZ-JTQLQIEISA-N	-1	0	306.366	0.565	20	30		DCEDRM
C[C@](CNCC#N)(NC(=O)c1c[n-]n2c1nccc2=O)C1CC1	ZINC001495283131	1018444509	/nfs/dbraw/zinc/44/45/09/1018444509.db2.gz	WDSXXHSMJLIPAX-OAHLLOKOSA-N	-1	0	314.349	0.034	20	30		DCEDRM
C#CCOCCC(=O)NCC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001495535601	1018563530	/nfs/dbraw/zinc/56/35/30/1018563530.db2.gz	ROXDJIVHCUWNME-SNVBAGLBSA-N	-1	0	322.365	0.088	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1C#N	ZINC001607861368	1170514109	/nfs/dbraw/zinc/51/41/09/1170514109.db2.gz	UZRNOAQHWZPTMZ-ZDUSSCGKSA-N	-1	0	310.331	0.077	20	30		DCEDRM
CC(C)(C#N)CCS(=O)(=O)Nc1cnn(CC(=O)[O-])c1	ZINC001609647603	1171059839	/nfs/dbraw/zinc/05/98/39/1171059839.db2.gz	YPOLMNZSBZIVFS-UHFFFAOYSA-N	-1	0	300.340	0.649	20	30		DCEDRM
CCCCC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC001609967184	1171129026	/nfs/dbraw/zinc/12/90/26/1171129026.db2.gz	LWSAQQAUCQFOTK-QWRGUYRKSA-N	-1	0	305.400	0.946	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC001610258319	1171210885	/nfs/dbraw/zinc/21/08/85/1171210885.db2.gz	NFRKSBRCDQLHMV-UHFFFAOYSA-N	-1	0	312.347	0.854	20	30		DCEDRM
N#CCC1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1	ZINC001610621565	1171271011	/nfs/dbraw/zinc/27/10/11/1171271011.db2.gz	MDUXFMPQOIDATQ-UHFFFAOYSA-N	-1	0	312.351	0.282	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000286579177	219063983	/nfs/dbraw/zinc/06/39/83/219063983.db2.gz	WDVVZEPVFKJRTA-MRVPVSSYSA-N	-1	0	315.293	0.657	20	30		DCEDRM
Cn1cnnc1CNS(=O)(=O)c1cccc(Cl)c1C#N	ZINC000156359868	291224618	/nfs/dbraw/zinc/22/46/18/291224618.db2.gz	WGPXQYAQLCDSLX-UHFFFAOYSA-N	-1	0	311.754	0.819	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCC[C@@](COC)(C(=O)[O-])C2)nn1	ZINC000425262581	240324346	/nfs/dbraw/zinc/32/43/46/240324346.db2.gz	YRIDNAVDRDEQCY-OAHLLOKOSA-N	-1	0	322.365	0.808	20	30		DCEDRM
C=CCCn1cc(C(=O)NCCc2nc(C(=O)[O-])cs2)nn1	ZINC000425256019	240324448	/nfs/dbraw/zinc/32/44/48/240324448.db2.gz	OABFZYYCRWSRIO-UHFFFAOYSA-N	-1	0	321.362	0.981	20	30		DCEDRM
C=CCC[C@H](NC(=O)/C=C\c1cncc(C(=O)NC)c1)C(=O)[O-]	ZINC000493778067	241155250	/nfs/dbraw/zinc/15/52/50/241155250.db2.gz	BMDYTMARZBEJGU-FWWRYZNZSA-N	-1	0	317.345	0.990	20	30		DCEDRM
C=CCC[C@@H](NC(=O)/C=C\c1cncc(C(=O)NC)c1)C(=O)[O-]	ZINC000493778065	241155809	/nfs/dbraw/zinc/15/58/09/241155809.db2.gz	BMDYTMARZBEJGU-FMFIFOJESA-N	-1	0	317.345	0.990	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-]	ZINC000274914633	212029844	/nfs/dbraw/zinc/02/98/44/212029844.db2.gz	LIXCXMVTSWBCSK-MWLCHTKSSA-N	-1	0	315.351	0.152	20	30		DCEDRM
C=C[C@@H](CO)NC(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1	ZINC000289652428	335062347	/nfs/dbraw/zinc/06/23/47/335062347.db2.gz	LSGQLBJIZRKMSA-QMMMGPOBSA-N	-1	0	317.342	0.402	20	30		DCEDRM
CCCNC(=O)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000027607630	395695266	/nfs/dbraw/zinc/69/52/66/395695266.db2.gz	GXTPMAJIJKATRE-UHFFFAOYSA-N	-1	0	308.363	0.637	20	30		DCEDRM
CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000048532792	395816588	/nfs/dbraw/zinc/81/65/88/395816588.db2.gz	QVKRTRZMHYNBID-UHFFFAOYSA-N	-1	0	301.324	0.863	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]CC2(CO)CC2)c(F)c1	ZINC000124413063	395900860	/nfs/dbraw/zinc/90/08/60/395900860.db2.gz	ICCILUDHQNKMJP-UHFFFAOYSA-N	-1	0	302.302	0.887	20	30		DCEDRM
C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126026519	395909505	/nfs/dbraw/zinc/90/95/05/395909505.db2.gz	MYEFEHQFHLZJMJ-QUBYGPBYSA-N	-1	0	318.738	0.324	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1	ZINC000155557348	396054096	/nfs/dbraw/zinc/05/40/96/396054096.db2.gz	AOYDDDYMMOEXGN-LBPRGKRZSA-N	-1	0	312.333	0.856	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000159608068	396069467	/nfs/dbraw/zinc/06/94/67/396069467.db2.gz	HAWUUNIPDLLYJZ-SNVBAGLBSA-N	-1	0	300.292	0.902	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000262128637	396102208	/nfs/dbraw/zinc/10/22/08/396102208.db2.gz	JMKZLDMZKBBWFK-HNNXBMFYSA-N	-1	0	320.301	0.306	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)NCCSCC(=O)[O-]	ZINC000262440715	396140523	/nfs/dbraw/zinc/14/05/23/396140523.db2.gz	UQECLETVMPXHIO-UHFFFAOYSA-N	-1	0	324.358	0.880	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2cccnc2C#N)C1	ZINC000263199569	396205981	/nfs/dbraw/zinc/20/59/81/396205981.db2.gz	MFBGAPNPAMYZRK-UWVGGRQHSA-N	-1	0	309.347	0.685	20	30		DCEDRM
N#Cc1ccc(N2CCN(c3cnc(C(=O)[O-])cn3)CC2)nc1	ZINC000263529126	396219860	/nfs/dbraw/zinc/21/98/60/396219860.db2.gz	VNSPLBXBHOXDDK-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000594529001	396484343	/nfs/dbraw/zinc/48/43/43/396484343.db2.gz	WTJIRERAFDZTAN-MRVPVSSYSA-N	-1	0	305.290	0.342	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])ccc1F	ZINC000594574175	396487763	/nfs/dbraw/zinc/48/77/63/396487763.db2.gz	YRKQPZLNKIPKPF-SNVBAGLBSA-N	-1	0	304.274	0.788	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N[C@@H](CCF)C(=O)[O-])c1	ZINC000594573991	396487957	/nfs/dbraw/zinc/48/79/57/396487957.db2.gz	TVCIIRQBEJAVRI-NSHDSACASA-N	-1	0	300.311	0.790	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cn(C)c(C(C)C)n1)C(=O)[O-]	ZINC000580162718	396490660	/nfs/dbraw/zinc/49/06/60/396490660.db2.gz	OAPWLNCGCLSCAG-JTQLQIEISA-N	-1	0	313.379	0.688	20	30		DCEDRM
CCO[C@H]1C[C@@](NS(=O)(=O)CCCC#N)(C(=O)[O-])C1(C)C	ZINC000581169629	396531032	/nfs/dbraw/zinc/53/10/32/396531032.db2.gz	NCNBDWZNZYYTIO-GXFFZTMASA-N	-1	0	318.395	0.868	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000595237952	396567850	/nfs/dbraw/zinc/56/78/50/396567850.db2.gz	LKFCLXUCVNIVPL-VIFPVBQESA-N	-1	0	304.306	0.726	20	30		DCEDRM
CCN([C@@H](C)C#N)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000595357846	396595051	/nfs/dbraw/zinc/59/50/51/396595051.db2.gz	PLSQDZAEQJQVLS-ZETCQYMHSA-N	-1	0	323.334	0.359	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)C[C@@H](C(=O)[O-])c2ccccc2)n1	ZINC000585818425	396661528	/nfs/dbraw/zinc/66/15/28/396661528.db2.gz	SHTZLWRZVQPYND-GFCCVEGCSA-N	-1	0	313.317	0.524	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000596022623	396709179	/nfs/dbraw/zinc/70/91/79/396709179.db2.gz	GXJIIURDYXCWHX-GXSJLCMTSA-N	-1	0	303.384	0.413	20	30		DCEDRM
N#CC1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1	ZINC000590486369	396787591	/nfs/dbraw/zinc/78/75/91/396787591.db2.gz	WYAORSKIVWCAQT-UHFFFAOYSA-N	-1	0	315.301	0.225	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1	ZINC000629780992	396830867	/nfs/dbraw/zinc/83/08/67/396830867.db2.gz	VMOOCMOHJWFFHO-XQQFMLRXSA-N	-1	0	308.378	0.980	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)[N-][C@H]1COCCC1=O	ZINC000625492024	396893446	/nfs/dbraw/zinc/89/34/46/396893446.db2.gz	OVDJTBYOEUIWAE-LBPRGKRZSA-N	-1	0	312.322	0.475	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1	ZINC000591568453	396930805	/nfs/dbraw/zinc/93/08/05/396930805.db2.gz	GTGHPOQXYCLFKR-BLLLJJGKSA-N	-1	0	321.377	0.852	20	30		DCEDRM
N#C[C@H]1COCCN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000597300250	396934994	/nfs/dbraw/zinc/93/49/94/396934994.db2.gz	YLHANMWWTZAPQJ-NSHDSACASA-N	-1	0	300.274	0.394	20	30		DCEDRM
N#C[C@@H]1COCCN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000597300244	396935408	/nfs/dbraw/zinc/93/54/08/396935408.db2.gz	YLHANMWWTZAPQJ-LLVKDONJSA-N	-1	0	300.274	0.394	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC(CC#N)CC2)CC[C@@H]1C(=O)[O-]	ZINC000600802957	396945232	/nfs/dbraw/zinc/94/52/32/396945232.db2.gz	VPCDBHFFFHRIBT-YPMHNXCESA-N	-1	0	321.377	0.708	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC000630438101	397021015	/nfs/dbraw/zinc/02/10/15/397021015.db2.gz	LTKAKWMQLBNZND-DCAQKATOSA-N	-1	0	306.384	0.349	20	30		DCEDRM
CC#CC[C@H](CO)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000592111124	397095821	/nfs/dbraw/zinc/09/58/21/397095821.db2.gz	GUCJUMFHPAYAGW-SECBINFHSA-N	-1	0	316.310	0.787	20	30		DCEDRM
N#CCCC[C@@H](N)C(=O)N=c1nc(-c2cccnc2)[n-]s1	ZINC000592228322	397135077	/nfs/dbraw/zinc/13/50/77/397135077.db2.gz	ANGQZRPGTQDKDY-SNVBAGLBSA-N	-1	0	302.363	0.982	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)c1	ZINC000619470387	397135131	/nfs/dbraw/zinc/13/51/31/397135131.db2.gz	MHWAOIDAUOPBCF-WCQYABFASA-N	-1	0	324.358	0.521	20	30		DCEDRM
CC1(C)CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602091239	397298757	/nfs/dbraw/zinc/29/87/57/397298757.db2.gz	XSNAEKSCUPKXGN-UHFFFAOYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
C[C@H]1CCC[C@H](C)N(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602106605	397302100	/nfs/dbraw/zinc/30/21/00/397302100.db2.gz	DNWOLNQWFMKMCX-QWRGUYRKSA-N	-1	0	304.350	0.858	20	30		DCEDRM
C=C[C@@H]1CCCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602139171	397317274	/nfs/dbraw/zinc/31/72/74/397317274.db2.gz	DHWFMLZUTFTSCW-GFCCVEGCSA-N	-1	0	302.334	0.778	20	30		DCEDRM
CCN(CCSC)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602175251	397333358	/nfs/dbraw/zinc/33/33/58/397333358.db2.gz	XFMPIZLBJZHXRO-UHFFFAOYSA-N	-1	0	310.379	0.422	20	30		DCEDRM
CCN(CC1CCC1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602142403	397318603	/nfs/dbraw/zinc/31/86/03/397318603.db2.gz	MVRUSCQAHVOOGT-UHFFFAOYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)N1Cc2cccc(C#N)c2C1)C(=O)[O-]	ZINC000593768827	397440184	/nfs/dbraw/zinc/44/01/84/397440184.db2.gz	GSODYIGSFXQPBO-JTQLQIEISA-N	-1	0	315.329	0.580	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C	ZINC000578074287	397387807	/nfs/dbraw/zinc/38/78/07/397387807.db2.gz	OSQXPMKNNFACTJ-NXEZZACHSA-N	-1	0	305.400	0.944	20	30		DCEDRM
C=CCn1cc(C(=O)NCC2(CC(=O)[O-])CCOCC2)nn1	ZINC000621596735	397402482	/nfs/dbraw/zinc/40/24/82/397402482.db2.gz	DAPHWALHKOADDU-UHFFFAOYSA-N	-1	0	308.338	0.465	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC[C@H]1C(=O)[O-]	ZINC000599616011	397487128	/nfs/dbraw/zinc/48/71/28/397487128.db2.gz	CZOFTPCLXPTDKH-GXSJLCMTSA-N	-1	0	316.317	0.461	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1C#N	ZINC000579008565	397515299	/nfs/dbraw/zinc/51/52/99/397515299.db2.gz	ZYVXLEJHDWGXDE-TVQRCGJNSA-N	-1	0	323.374	0.993	20	30		DCEDRM
C#CCN(C(=O)c1ccc(C)cc1O)[C@H]1CCS(=O)(=O)C1	ZINC000490899246	397499233	/nfs/dbraw/zinc/49/92/33/397499233.db2.gz	NSIKNAZWKBMCRH-LBPRGKRZSA-N	-1	0	307.371	0.963	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C/c1ccco1	ZINC000493284448	397526883	/nfs/dbraw/zinc/52/68/83/397526883.db2.gz	ISUYAOXHLUCDEG-VOTSOKGWSA-N	-1	0	324.358	0.268	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])nn1	ZINC000579130651	397528760	/nfs/dbraw/zinc/52/87/60/397528760.db2.gz	QUWXXXKBPBIYBJ-CMPLNLGQSA-N	-1	0	308.338	0.558	20	30		DCEDRM
C=C(C)COc1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1	ZINC000606116471	397677237	/nfs/dbraw/zinc/67/72/37/397677237.db2.gz	DEXQTFCZIMFFPR-UHFFFAOYSA-N	-1	0	316.321	0.410	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnn(CCO)c1	ZINC000610123769	397803990	/nfs/dbraw/zinc/80/39/90/397803990.db2.gz	AIIAIWLIWHDNIP-UHFFFAOYSA-N	-1	0	306.347	0.856	20	30		DCEDRM
N#Cc1ccc(OC(F)F)c(NC(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000137367699	158344867	/nfs/dbraw/zinc/34/48/67/158344867.db2.gz	BSGBFIMPCFXTQN-UHFFFAOYSA-N	-1	0	324.247	0.893	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC(=O)NC2)c(F)c1	ZINC000342586461	415218601	/nfs/dbraw/zinc/21/86/01/415218601.db2.gz	KLGVVGBMRZFKOQ-QMMMGPOBSA-N	-1	0	315.301	0.393	20	30		DCEDRM
CCOC[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000290486972	415813194	/nfs/dbraw/zinc/81/31/94/415813194.db2.gz	GOOZGHYMXLVOGS-LBPRGKRZSA-N	-1	0	312.347	0.467	20	30		DCEDRM
N#CCCn1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)n1	ZINC000344327744	415890737	/nfs/dbraw/zinc/89/07/37/415890737.db2.gz	PSNAGJVYWUPRHR-UHFFFAOYSA-N	-1	0	319.346	0.696	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N(CC(N)=O)CC(C)C)cc1C#N	ZINC000344494533	415930068	/nfs/dbraw/zinc/93/00/68/415930068.db2.gz	NVSNACGBPJSJSV-UHFFFAOYSA-N	-1	0	322.390	0.964	20	30		DCEDRM
O=C(CSc1n[nH]c(=O)[n-]1)NCCN1CCCOCC1	ZINC000329320084	416163613	/nfs/dbraw/zinc/16/36/13/416163613.db2.gz	ITUSPWXOPGCQDN-UHFFFAOYSA-N	-1	0	301.372	0.281	20	30		DCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)NC(C)(C)c1nnn[n-]1	ZINC000359802532	416359893	/nfs/dbraw/zinc/35/98/93/416359893.db2.gz	UFJRALUTDHBZPH-SECBINFHSA-N	-1	0	300.322	0.890	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000422655055	416445462	/nfs/dbraw/zinc/44/54/62/416445462.db2.gz	QFXVCPAZBZKWSG-LLVKDONJSA-N	-1	0	301.302	0.738	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000422678334	416447886	/nfs/dbraw/zinc/44/78/86/416447886.db2.gz	NIUMSQDLMINRDQ-SNVBAGLBSA-N	-1	0	319.292	0.959	20	30		DCEDRM
C=CCN(CC=C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000422702841	416448493	/nfs/dbraw/zinc/44/84/93/416448493.db2.gz	GCEODMAQFIBTDD-BLLLJJGKSA-N	-1	0	306.362	0.900	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc(COC)cc1)C(=O)[O-]	ZINC000541929213	416617667	/nfs/dbraw/zinc/61/76/67/416617667.db2.gz	NWGDFLTVXPIMER-CYBMUJFWSA-N	-1	0	311.359	0.978	20	30		DCEDRM
N#Cc1cccc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1	ZINC000424480832	416654761	/nfs/dbraw/zinc/65/47/61/416654761.db2.gz	ZDBAOWQLRMTXQY-NSHDSACASA-N	-1	0	323.330	0.274	20	30		DCEDRM
C[C@H](O)[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000515001007	416686645	/nfs/dbraw/zinc/68/66/45/416686645.db2.gz	IAKNUABFJAPBPO-WKEGUHRASA-N	-1	0	318.738	0.324	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-]	ZINC000554675200	416710067	/nfs/dbraw/zinc/71/00/67/416710067.db2.gz	UCUDOMPROXTSNC-SECBINFHSA-N	-1	0	311.315	0.560	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]c1ncccc1C#N	ZINC000443146017	416734929	/nfs/dbraw/zinc/73/49/29/416734929.db2.gz	KKIQBTDHDNTSQH-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000563624526	416883639	/nfs/dbraw/zinc/88/36/39/416883639.db2.gz	INGDVTVYGAVTQZ-GHMZBOCLSA-N	-1	0	315.395	0.652	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000563572367	416883943	/nfs/dbraw/zinc/88/39/43/416883943.db2.gz	UGHXPJHTUOEEST-MNOVXSKESA-N	-1	0	303.384	0.509	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cc(C)oc1C)C(=O)[O-]	ZINC000521999540	417040785	/nfs/dbraw/zinc/04/07/85/417040785.db2.gz	YDZOGIWLJKTVBY-JTQLQIEISA-N	-1	0	303.336	0.831	20	30		DCEDRM
C=CCCn1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)nn1	ZINC000643846428	417398502	/nfs/dbraw/zinc/39/85/02/417398502.db2.gz	GMPRSOTXBBGBHV-UHFFFAOYSA-N	-1	0	322.365	0.950	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CCO[C@@H](C)C1)C(=O)[O-]	ZINC000574496759	417483451	/nfs/dbraw/zinc/48/34/51/417483451.db2.gz	WQHGVXWGQIVBRS-SRVKXCTJSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000456781504	417664315	/nfs/dbraw/zinc/66/43/15/417664315.db2.gz	SPXUNESBBZEHQZ-VIFPVBQESA-N	-1	0	318.333	0.801	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)CCc1scnc1C)C(=O)[O-]	ZINC000646041052	417859542	/nfs/dbraw/zinc/85/95/42/417859542.db2.gz	LNUJMQRAKDTTJM-SECBINFHSA-N	-1	0	304.393	0.943	20	30		DCEDRM
C=CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1	ZINC000653293686	418055334	/nfs/dbraw/zinc/05/53/34/418055334.db2.gz	HVEBSJCCAFZZGU-TUAOUCFPSA-N	-1	0	315.391	0.689	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000659665291	418140568	/nfs/dbraw/zinc/14/05/68/418140568.db2.gz	QCKARMABDGVCFM-RYUDHWBXSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCc1nc(C(N)=O)cs1)C(=O)[O-]	ZINC000656598002	418366168	/nfs/dbraw/zinc/36/61/68/418366168.db2.gz	QZWOKHMRTXXLKL-ZETCQYMHSA-N	-1	0	312.351	0.461	20	30		DCEDRM
C=CCOCCCNS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000656723609	418373350	/nfs/dbraw/zinc/37/33/50/418373350.db2.gz	MCJUFXYAZGUELC-UHFFFAOYSA-N	-1	0	306.365	0.712	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS(=O)CC1	ZINC001649697911	1173170939	/nfs/dbraw/zinc/17/09/39/1173170939.db2.gz	QVBYHBHBJWSTMI-UHFFFAOYSA-N	-1	0	321.402	0.799	20	30		DCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000417414320	262251707	/nfs/dbraw/zinc/25/17/07/262251707.db2.gz	CSCHFDVWZAZVMG-MRVPVSSYSA-N	-1	0	300.311	0.980	20	30		DCEDRM
Cc1cc(C)c(C#N)c(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1	ZINC000424462462	269989832	/nfs/dbraw/zinc/98/98/32/269989832.db2.gz	ARPYXBJOGUQLKM-LLVKDONJSA-N	-1	0	309.347	0.258	20	30		DCEDRM
Cc1cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)ccc1C#N	ZINC000435759359	268020009	/nfs/dbraw/zinc/02/00/09/268020009.db2.gz	KBPBDSJSOAAYBT-UHFFFAOYSA-N	-1	0	319.346	0.349	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C\c1cccc(C#N)c1	ZINC000493125991	272169917	/nfs/dbraw/zinc/16/99/17/272169917.db2.gz	YHQZQTTYRQKLED-WAYWQWQTSA-N	-1	0	321.358	0.154	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)cc1	ZINC000548531206	288150867	/nfs/dbraw/zinc/15/08/67/288150867.db2.gz	XUMWCSUMANSRBZ-PWSUYJOCSA-N	-1	0	310.331	0.326	20	30		DCEDRM
Cn1cccc(N=C([O-])N2CCO[C@]3(CCCOC3)C2)c1=O	ZINC000329355799	302959747	/nfs/dbraw/zinc/95/97/47/302959747.db2.gz	GSOPMEHLJRRWMI-OAHLLOKOSA-N	-1	0	307.350	0.812	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)s1	ZINC000230325406	303199250	/nfs/dbraw/zinc/19/92/50/303199250.db2.gz	GRVSWJKTJQHOPM-JTQLQIEISA-N	-1	0	302.333	0.142	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(C)(C)[C@@H]1C(=O)[O-]	ZINC000570805872	332819887	/nfs/dbraw/zinc/81/98/87/332819887.db2.gz	PWKUCQIEUILURO-UWVGGRQHSA-N	-1	0	303.384	0.650	20	30		DCEDRM
C=C[C@H](CO)NC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-]	ZINC000426845584	332156709	/nfs/dbraw/zinc/15/67/09/332156709.db2.gz	NENGJRMHHDYBNZ-SNVBAGLBSA-N	-1	0	303.318	0.863	20	30		DCEDRM
CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000563621495	333639170	/nfs/dbraw/zinc/63/91/70/333639170.db2.gz	AAHQBWPCDVGSDT-CMPLNLGQSA-N	-1	0	303.384	0.794	20	30		DCEDRM
N#CCC1(O)CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1	ZINC000583652415	336024890	/nfs/dbraw/zinc/02/48/90/336024890.db2.gz	OAHBUWBEDJSWOA-UHFFFAOYSA-N	-1	0	300.274	0.130	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1	ZINC000582670066	337118942	/nfs/dbraw/zinc/11/89/42/337118942.db2.gz	MCIXJSPAEYLLQC-VWYCJHECSA-N	-1	0	301.368	0.332	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2ccncc2C#N)C1=O	ZINC000584579462	337367661	/nfs/dbraw/zinc/36/76/61/337367661.db2.gz	YUZHIFYIUNCSNC-OLZOCXBDSA-N	-1	0	302.334	0.497	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000420592881	337508347	/nfs/dbraw/zinc/50/83/47/337508347.db2.gz	ZLJSOMTYPARFCN-TUAOUCFPSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCC2(CC#N)CC2)C1	ZINC000422706928	337683580	/nfs/dbraw/zinc/68/35/80/337683580.db2.gz	VFHFOOQFLZAYNS-WDEREUQCSA-N	-1	0	307.350	0.366	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000422892084	337690463	/nfs/dbraw/zinc/69/04/63/337690463.db2.gz	MBCZGQCZFRIWTB-NWDGAFQWSA-N	-1	0	312.366	0.217	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](CNC(=O)OC(C)(C)C)OC	ZINC000496686538	340010566	/nfs/dbraw/zinc/01/05/66/340010566.db2.gz	SZFZVCPYAXWSSF-VIFPVBQESA-N	-1	0	322.383	0.158	20	30		DCEDRM
CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)C(=O)[O-]	ZINC000424401815	337830394	/nfs/dbraw/zinc/83/03/94/337830394.db2.gz	BNJAOAOLQPKUIS-QJPTWQEYSA-N	-1	0	309.366	0.658	20	30		DCEDRM
CC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000436754028	338285616	/nfs/dbraw/zinc/28/56/16/338285616.db2.gz	XMIPSYAQHTXJFL-SECBINFHSA-N	-1	0	311.363	0.674	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1ccc2c(c1)OCCO2	ZINC000493290474	339922209	/nfs/dbraw/zinc/92/22/09/339922209.db2.gz	HIGDVNSRADYKPH-ALCCZGGFSA-N	-1	0	321.354	0.940	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC(C)(C)C	ZINC000496721990	340011317	/nfs/dbraw/zinc/01/13/17/340011317.db2.gz	QOHBBYWUWHEJOM-VIFPVBQESA-N	-1	0	304.368	0.369	20	30		DCEDRM
CC(=Nn1c(=O)[n-][nH]c1=O)c1cccc(N2CCOC2=O)c1	ZINC000496906297	340015830	/nfs/dbraw/zinc/01/58/30/340015830.db2.gz	ZZDIYJPXMNILTK-UHFFFAOYSA-N	-1	0	303.278	0.918	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1CN(C(=O)OC(C)(C)C)C1	ZINC000496967812	340017212	/nfs/dbraw/zinc/01/72/12/340017212.db2.gz	JROSDNOLVJOMRX-UHFFFAOYSA-N	-1	0	316.379	0.323	20	30		DCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000528994670	340741952	/nfs/dbraw/zinc/74/19/52/340741952.db2.gz	YXIOFNXZFGPKLR-UHFFFAOYSA-N	-1	0	310.379	0.964	20	30		DCEDRM
Cc1ccc(-n2[n-]c(C(=O)N[C@@]3(C#N)CCOC3)cc2=O)cc1	ZINC000547489601	341216988	/nfs/dbraw/zinc/21/69/88/341216988.db2.gz	AMSOEZMJRKBPEB-MRXNPFEDSA-N	-1	0	312.329	0.887	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1C[C@H](C(=O)[O-])c2ccccc21	ZINC000548561445	341266037	/nfs/dbraw/zinc/26/60/37/341266037.db2.gz	SCJNLHWEZYDLIK-NSHDSACASA-N	-1	0	309.347	0.765	20	30		DCEDRM
C#CC1(O)CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1	ZINC001602676867	1159784753	/nfs/dbraw/zinc/78/47/53/1159784753.db2.gz	KZNWWPIKZLQIBZ-UHFFFAOYSA-N	-1	0	309.343	0.534	20	30		DCEDRM
Cn1cccc(N=C([O-])N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1=O	ZINC000329021411	534778579	/nfs/dbraw/zinc/77/85/79/534778579.db2.gz	MDXXOMNDHUQXHW-BNOWGMLFSA-N	-1	0	321.377	0.793	20	30		DCEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1	ZINC000160690303	526634281	/nfs/dbraw/zinc/63/42/81/526634281.db2.gz	QWEQCTJJIXCHRZ-SECBINFHSA-N	-1	0	318.738	0.326	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CC2)cc1	ZINC000263189151	526670290	/nfs/dbraw/zinc/67/02/90/526670290.db2.gz	XQEJOWYHTFOSMG-UHFFFAOYSA-N	-1	0	324.358	0.498	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)[O-]	ZINC000262954233	526787562	/nfs/dbraw/zinc/78/75/62/526787562.db2.gz	ISRCPGGDZPZFFN-LLVKDONJSA-N	-1	0	319.317	0.102	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnc(C(F)(F)F)nc1)C(=O)[O-]	ZINC000262899203	526792643	/nfs/dbraw/zinc/79/26/43/526792643.db2.gz	DNAJQGZAULWNFH-MRVPVSSYSA-N	-1	0	319.239	0.881	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cn1ncc2ccccc21)C(=O)[O-]	ZINC000262998916	526804566	/nfs/dbraw/zinc/80/45/66/526804566.db2.gz	MDPLKYJGBQNTPF-LBPRGKRZSA-N	-1	0	303.318	0.808	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)OC[C@H]1CCCO1)C(=O)[O-]	ZINC000263070028	526806702	/nfs/dbraw/zinc/80/67/02/526806702.db2.gz	RISAHMMVYNNPNS-TUAOUCFPSA-N	-1	0	301.339	0.343	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)nc1	ZINC000263229416	527036384	/nfs/dbraw/zinc/03/63/84/527036384.db2.gz	QJGWRJCZXOJFEF-DGCLKSJQSA-N	-1	0	301.346	0.992	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C	ZINC000263214208	528384233	/nfs/dbraw/zinc/38/42/33/528384233.db2.gz	ZOHZYKWOYWALJT-MNOVXSKESA-N	-1	0	303.384	0.652	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000263110523	528709471	/nfs/dbraw/zinc/70/94/71/528709471.db2.gz	DLKPNPUWZSBRKE-UTUOFQBUSA-N	-1	0	317.411	0.755	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CCOC[C@H]2C#N)c1	ZINC000424699594	536917876	/nfs/dbraw/zinc/91/78/76/536917876.db2.gz	VUQMPGACRBEMSV-FIKIJFGZSA-N	-1	0	308.359	0.554	20	30		DCEDRM
N#Cc1ccsc1N1CC[C@@H](N2CCO[C@H](C(=O)[O-])C2)C1=O	ZINC000819111124	596924292	/nfs/dbraw/zinc/92/42/92/596924292.db2.gz	MMPLZMZMIZSKRS-MNOVXSKESA-N	-1	0	321.358	0.510	20	30		DCEDRM
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC(=O)[O-]	ZINC000740229762	597022210	/nfs/dbraw/zinc/02/22/10/597022210.db2.gz	ZKQIUWNVALGYGO-UHFFFAOYSA-N	-1	0	301.306	0.351	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000817675461	597516068	/nfs/dbraw/zinc/51/60/68/597516068.db2.gz	YLLDLTXHPPQVFL-QMMMGPOBSA-N	-1	0	308.265	0.366	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1COC2(CCOCC2)O1	ZINC000819835032	597609064	/nfs/dbraw/zinc/60/90/64/597609064.db2.gz	RNUZAXSGQCPEAQ-MFKMUULPSA-N	-1	0	312.322	0.029	20	30		DCEDRM
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC(=O)[O-]	ZINC000819874058	597611152	/nfs/dbraw/zinc/61/11/52/597611152.db2.gz	GQPRZXKPTPTNID-VIFPVBQESA-N	-1	0	305.290	0.507	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCn1cc([N+](=O)[O-])ccc1=O	ZINC000819874681	597619550	/nfs/dbraw/zinc/61/95/50/597619550.db2.gz	OTRDRMXKEFGNLB-ZDUSSCGKSA-N	-1	0	323.261	0.304	20	30		DCEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)Nc1ncccn1	ZINC000820162016	597625041	/nfs/dbraw/zinc/62/50/41/597625041.db2.gz	WNSYFQJLLCAIDI-AMIZOPFISA-N	-1	0	306.278	0.351	20	30		DCEDRM
CC(C)CNC(=O)NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819980580	597625919	/nfs/dbraw/zinc/62/59/19/597625919.db2.gz	ZXSILPUMVQPRSL-CYBMUJFWSA-N	-1	0	313.310	0.016	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC(NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000819915010	597646814	/nfs/dbraw/zinc/64/68/14/597646814.db2.gz	QLZIIHDSCABWOJ-CQSZACIVSA-N	-1	0	311.338	0.726	20	30		DCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H]1N1CCOCC1	ZINC000820246392	597651556	/nfs/dbraw/zinc/65/15/56/597651556.db2.gz	WPZJAVZIDKUFAL-XUJVJEKNSA-N	-1	0	309.366	0.170	20	30		DCEDRM
N#C[C@@H](c1ccccc1)N1CCN(CC(=O)NCC(=O)[O-])CC1	ZINC000821320760	597796348	/nfs/dbraw/zinc/79/63/48/597796348.db2.gz	WXZPNBOPEFBLSW-AWEZNQCLSA-N	-1	0	316.361	0.070	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCNC(=O)c1ccccc1	ZINC000819842825	598223087	/nfs/dbraw/zinc/22/30/87/598223087.db2.gz	VELACNJJUQRWGJ-OAHLLOKOSA-N	-1	0	303.318	0.537	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(C(=O)N2CCCC2)CC1	ZINC000819811599	598223123	/nfs/dbraw/zinc/22/31/23/598223123.db2.gz	RTQBQHJWGGGEAU-MRXNPFEDSA-N	-1	0	321.377	0.852	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCNC(=O)c1ccccc1F	ZINC000819841527	598224899	/nfs/dbraw/zinc/22/48/99/598224899.db2.gz	AELLXDKZFVTUMT-OAHLLOKOSA-N	-1	0	321.308	0.676	20	30		DCEDRM
COC(=O)Cc1csc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000820668338	598225091	/nfs/dbraw/zinc/22/50/91/598225091.db2.gz	VVEZOEJMLDWXOH-GFCCVEGCSA-N	-1	0	311.319	0.802	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCNC(=O)c1cccs1	ZINC000819832928	598225815	/nfs/dbraw/zinc/22/58/15/598225815.db2.gz	DRFCCQKCDKXJND-AWEZNQCLSA-N	-1	0	323.374	0.989	20	30		DCEDRM
CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820524252	598227778	/nfs/dbraw/zinc/22/77/78/598227778.db2.gz	NIYFHRROWZVLPZ-UEKVPHQBSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CO[C@@H](C)c1noc(CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000820696300	598229574	/nfs/dbraw/zinc/22/95/74/598229574.db2.gz	BOAAJAXYBTZIDM-ISVAXAHUSA-N	-1	0	310.310	0.740	20	30		DCEDRM
C=CCOCC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC000736109745	599733967	/nfs/dbraw/zinc/73/39/67/599733967.db2.gz	XXDUPHKHCZBYAU-UHFFFAOYSA-N	-1	0	306.318	0.571	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N(C)CC#N)c1	ZINC000737683984	599770679	/nfs/dbraw/zinc/77/06/79/599770679.db2.gz	IGBSJXNDJNWEPJ-VIFPVBQESA-N	-1	0	319.317	0.954	20	30		DCEDRM
O=C([O-])c1ccc(O)c(C=NNc2nc3[nH][nH]cc-3c(=O)n2)c1	ZINC000740161356	599886864	/nfs/dbraw/zinc/88/68/64/599886864.db2.gz	OYRPJQHZEILFGN-UHFFFAOYSA-N	-1	0	314.261	0.282	20	30		DCEDRM
C#CCNC(=O)CN1CCN(Cc2cc(C(=O)[O-])oc2C)CC1	ZINC000736076898	599964454	/nfs/dbraw/zinc/96/44/54/599964454.db2.gz	WMKYWISQUNFXSN-UHFFFAOYSA-N	-1	0	319.361	0.153	20	30		DCEDRM
N#CCCN(C(=O)CN1CCO[C@H](C(=O)[O-])C1)c1ccccc1	ZINC000738428433	599977641	/nfs/dbraw/zinc/97/76/41/599977641.db2.gz	NUYLJDNHBYGZLG-AWEZNQCLSA-N	-1	0	317.345	0.719	20	30		DCEDRM
C[C@@H](CN(C)C(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000736569043	599996111	/nfs/dbraw/zinc/99/61/11/599996111.db2.gz	JKXPYHBWVJSZPY-JTQLQIEISA-N	-1	0	303.318	0.467	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000736078482	600093327	/nfs/dbraw/zinc/09/33/27/600093327.db2.gz	AEYDFQQLSOTWGD-NSHDSACASA-N	-1	0	303.314	0.999	20	30		DCEDRM
N#Cc1cc(F)ccc1CN(CCN1CCOCC1)CC(=O)[O-]	ZINC000739098408	600146989	/nfs/dbraw/zinc/14/69/89/600146989.db2.gz	FARILOKZRDNVNW-UHFFFAOYSA-N	-1	0	321.352	0.916	20	30		DCEDRM
CC(C)(NC(=O)[O-])C(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000736326290	600157076	/nfs/dbraw/zinc/15/70/76/600157076.db2.gz	RKIIPQXEMZNPKL-UHFFFAOYSA-N	-1	0	317.349	0.648	20	30		DCEDRM
N#CCN(C(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccccc1	ZINC000739075393	600172082	/nfs/dbraw/zinc/17/20/82/600172082.db2.gz	FCAVITBKVAXKES-VXGBXAGGSA-N	-1	0	302.286	0.807	20	30		DCEDRM
N#CCN(C(=O)COC(=O)CCNC(=O)[O-])c1ccccc1	ZINC000739076527	600200415	/nfs/dbraw/zinc/20/04/15/600200415.db2.gz	XZEVBIHDQCSODA-UHFFFAOYSA-N	-1	0	305.290	0.744	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000737078446	600208145	/nfs/dbraw/zinc/20/81/45/600208145.db2.gz	MEDJTTMVCSZRAH-JQWIXIFHSA-N	-1	0	313.354	0.830	20	30		DCEDRM
C#CCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC000736077199	600240632	/nfs/dbraw/zinc/24/06/32/600240632.db2.gz	OMSAPDSHUMUGQG-LBPRGKRZSA-N	-1	0	302.286	0.005	20	30		DCEDRM
C=C(Cl)CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000736094832	600328729	/nfs/dbraw/zinc/32/87/29/600328729.db2.gz	YSMIYZALSIIVOP-UHFFFAOYSA-N	-1	0	312.709	0.957	20	30		DCEDRM
Cc1cccc2c1ncn(CC(=O)N(CC#N)CC(=O)[O-])c2=O	ZINC000738747214	600400869	/nfs/dbraw/zinc/40/08/69/600400869.db2.gz	DUVYZFDPWHBGEM-UHFFFAOYSA-N	-1	0	314.301	0.142	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc(CN2CCOCC2)c1	ZINC000739088641	600403794	/nfs/dbraw/zinc/40/37/94/600403794.db2.gz	YFVFXEDXFFWZQA-UHFFFAOYSA-N	-1	0	317.345	0.569	20	30		DCEDRM
COC(=O)COc1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000737620626	600405187	/nfs/dbraw/zinc/40/51/87/600405187.db2.gz	BEWUEHRJTROOEJ-UHFFFAOYSA-N	-1	0	306.274	0.289	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C1CCN(C(=O)N2CCCC2)CC1	ZINC000739076858	600409227	/nfs/dbraw/zinc/40/92/27/600409227.db2.gz	DOBSXEVNDQSKOW-UHFFFAOYSA-N	-1	0	322.365	0.351	20	30		DCEDRM
C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCS1(=O)=O	ZINC000736811556	600571930	/nfs/dbraw/zinc/57/19/30/600571930.db2.gz	ZCXIOXNSWQUPOB-ZWNOBZJWSA-N	-1	0	308.359	0.803	20	30		DCEDRM
C#CCN1CCN(C(=O)c2[nH]c(CC)c(C(=O)[O-])c2C)CC1	ZINC000736078660	600592345	/nfs/dbraw/zinc/59/23/45/600592345.db2.gz	DMCGYQDTFJUIDN-UHFFFAOYSA-N	-1	0	303.362	0.975	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)COc1cccc(C#N)c1	ZINC000737790951	600621814	/nfs/dbraw/zinc/62/18/14/600621814.db2.gz	XECLXFGWERFZQP-UHFFFAOYSA-N	-1	0	306.318	0.887	20	30		DCEDRM
COc1cc(OC)c(C(=O)N(CC#N)CC(=O)[O-])cc1OC	ZINC000737898485	600674958	/nfs/dbraw/zinc/67/49/58/600674958.db2.gz	BFCARCCMJPIKBT-UHFFFAOYSA-N	-1	0	308.290	0.763	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000833062224	600773194	/nfs/dbraw/zinc/77/31/94/600773194.db2.gz	JXFOGGWTNLOPHF-SSDOTTSWSA-N	-1	0	302.333	0.359	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1c(F)cc(F)cc1F	ZINC000739086802	600797109	/nfs/dbraw/zinc/79/71/09/600797109.db2.gz	RVZJOGFJXSXSEN-UHFFFAOYSA-N	-1	0	308.237	0.703	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN(CC(=O)[O-])C1CCOCC1	ZINC000826677687	600856130	/nfs/dbraw/zinc/85/61/30/600856130.db2.gz	XJHHWOBWFRHAHP-OAHLLOKOSA-N	-1	0	311.382	0.606	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC000825631663	600900308	/nfs/dbraw/zinc/90/03/08/600900308.db2.gz	IAADSBKSZOOFTQ-UHFFFAOYSA-N	-1	0	312.372	0.867	20	30		DCEDRM
CN(C(=O)CCNC(=O)C1N=CC=CC1=O)C(C)(C)C(=O)[O-]	ZINC000830472512	600928653	/nfs/dbraw/zinc/92/86/53/600928653.db2.gz	SYVISDLRQDTVSB-VAWYXSNFSA-N	-1	0	309.322	0.225	20	30		DCEDRM
COc1cc(NC(=O)CN(CC#N)CC(=O)[O-])cc(OC)c1	ZINC000832016992	601002176	/nfs/dbraw/zinc/00/21/76/601002176.db2.gz	MJBZJPXIXPICDJ-UHFFFAOYSA-N	-1	0	307.306	0.552	20	30		DCEDRM
C#CCCCNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC000825605628	601014715	/nfs/dbraw/zinc/01/47/15/601014715.db2.gz	KMKUFPRUNZVGRR-UHFFFAOYSA-N	-1	0	317.345	0.965	20	30		DCEDRM
COC(=O)CN(CC#N)CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000831165153	601226508	/nfs/dbraw/zinc/22/65/08/601226508.db2.gz	YRGHAJQHMCCPQA-UHFFFAOYSA-N	-1	0	307.306	0.511	20	30		DCEDRM
COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000831696691	601236497	/nfs/dbraw/zinc/23/64/97/601236497.db2.gz	HVIOQYJPBLRTSN-SDDRHHMPSA-N	-1	0	310.350	0.739	20	30		DCEDRM
N#C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccc(F)cc1	ZINC000833065089	601274353	/nfs/dbraw/zinc/27/43/53/601274353.db2.gz	RMSHEKNKZLRBGU-JTQLQIEISA-N	-1	0	303.253	0.496	20	30		DCEDRM
C[C@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCS1(=O)=O	ZINC000828414054	601318927	/nfs/dbraw/zinc/31/89/27/601318927.db2.gz	WQHGXTHJIBFJQT-GWCFXTLKSA-N	-1	0	308.359	0.803	20	30		DCEDRM
CCS(=O)(=O)CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000830126251	601350107	/nfs/dbraw/zinc/35/01/07/601350107.db2.gz	MVZNADCHOJNUJC-GFCCVEGCSA-N	-1	0	311.315	0.662	20	30		DCEDRM
CC[C@H](C)[C@@H](NC(=O)COC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC000828714483	601356980	/nfs/dbraw/zinc/35/69/80/601356980.db2.gz	ATXFWHVXPBOOIC-TVQRCGJNSA-N	-1	0	321.333	0.669	20	30		DCEDRM
N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)NCC(=O)[O-]	ZINC000821320005	601429206	/nfs/dbraw/zinc/42/92/06/601429206.db2.gz	FQVWMBOMCBNFJP-UONOGXRCSA-N	-1	0	301.346	0.959	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000825994732	601461412	/nfs/dbraw/zinc/46/14/12/601461412.db2.gz	JITVNHGBAUXXCN-XUJVJEKNSA-N	-1	0	311.382	0.605	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1C#N	ZINC000832971751	601482950	/nfs/dbraw/zinc/48/29/50/601482950.db2.gz	XKIOWPRJVJLYTL-OAHLLOKOSA-N	-1	0	319.292	0.830	20	30		DCEDRM
C[C@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)C[C@@H]1C(=O)[O-]	ZINC000828361234	601650268	/nfs/dbraw/zinc/65/02/68/601650268.db2.gz	GFJNKAZVANXIEI-JQWIXIFHSA-N	-1	0	317.349	0.727	20	30		DCEDRM
C[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1C(=O)[O-]	ZINC000828341289	601763317	/nfs/dbraw/zinc/76/33/17/601763317.db2.gz	PFINGIQGTKGTAS-GXFFZTMASA-N	-1	0	315.329	0.467	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])c1	ZINC000825631396	601763905	/nfs/dbraw/zinc/76/39/05/601763905.db2.gz	CHTHGMXHYKLGQB-UHFFFAOYSA-N	-1	0	318.329	0.864	20	30		DCEDRM
C[C@@H](CS(=O)(=O)NCCNc1ccc(C#N)cn1)C(=O)[O-]	ZINC000827562515	601775272	/nfs/dbraw/zinc/77/52/72/601775272.db2.gz	BMIXRTJPWHVFRJ-VIFPVBQESA-N	-1	0	312.351	0.005	20	30		DCEDRM
C[C@H](CS(=O)(=O)NCCOc1ccc(C#N)cc1)C(=O)[O-]	ZINC000827563267	601795063	/nfs/dbraw/zinc/79/50/63/601795063.db2.gz	KZHHKSUYZPAIJP-SNVBAGLBSA-N	-1	0	312.347	0.577	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC1	ZINC000736078663	601936085	/nfs/dbraw/zinc/93/60/85/601936085.db2.gz	DMPOGCPIRIQTGP-LBPRGKRZSA-N	-1	0	309.366	0.267	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000827991301	602053212	/nfs/dbraw/zinc/05/32/12/602053212.db2.gz	AIZSCPLABYCKQF-INIZCTEOSA-N	-1	0	315.329	0.611	20	30		DCEDRM
C[C@@H](Oc1ccc(C=NNCCS(C)(=O)=O)cc1)C(=O)[O-]	ZINC000794912708	602075826	/nfs/dbraw/zinc/07/58/26/602075826.db2.gz	LGHURIBTUOFUEY-SNVBAGLBSA-N	-1	0	314.363	0.507	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)COc1ccccc1C#N	ZINC000829955751	602077454	/nfs/dbraw/zinc/07/74/54/602077454.db2.gz	SDICOTBRNLCFRC-LBPRGKRZSA-N	-1	0	306.318	0.885	20	30		DCEDRM
N#CCOc1cc(F)ccc1NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000833067993	602238569	/nfs/dbraw/zinc/23/85/69/602238569.db2.gz	MFQPMKZSRKKJPZ-UHFFFAOYSA-N	-1	0	319.252	0.656	20	30		DCEDRM
O=C([O-])[C@H]1COCCN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000833192468	602391737	/nfs/dbraw/zinc/39/17/37/602391737.db2.gz	IDPJCDKSKBBQHR-LLVKDONJSA-N	-1	0	303.270	0.079	20	30		DCEDRM
C=CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000823925666	607572669	/nfs/dbraw/zinc/57/26/69/607572669.db2.gz	NPWCZEOAYYXYSN-UHFFFAOYSA-N	-1	0	310.295	0.239	20	30		DCEDRM
C[C@@H](CCNc1ccc(S(N)(=O)=O)cc1C#N)NC(=O)[O-]	ZINC000824802937	603182009	/nfs/dbraw/zinc/18/20/09/603182009.db2.gz	OVVYZQFXVMUJEA-QMMMGPOBSA-N	-1	0	312.351	0.664	20	30		DCEDRM
N#CCCn1ccc(NC(=O)N2CC[C@H](CNC(=O)[O-])C2)n1	ZINC000831097010	603335594	/nfs/dbraw/zinc/33/55/94/603335594.db2.gz	BERLCBAKDRWUGP-SNVBAGLBSA-N	-1	0	306.326	0.918	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)CN(CC1CC1)C(=O)[O-]	ZINC000831156747	603407351	/nfs/dbraw/zinc/40/73/51/603407351.db2.gz	JEUFAZZVABOCPZ-UHFFFAOYSA-N	-1	0	317.349	0.871	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c1N	ZINC000831161784	603436163	/nfs/dbraw/zinc/43/61/63/603436163.db2.gz	LOUXMPSSDGSAMN-WCBMZHEXSA-N	-1	0	307.310	0.316	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c1N	ZINC000831161785	603436283	/nfs/dbraw/zinc/43/62/83/603436283.db2.gz	LOUXMPSSDGSAMN-WPRPVWTQSA-N	-1	0	307.310	0.316	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)NCC(C)(C)NC(=O)[O-])c1	ZINC000823475421	603616924	/nfs/dbraw/zinc/61/69/24/603616924.db2.gz	YCFLXEGZCYUUDD-UHFFFAOYSA-N	-1	0	303.318	0.769	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000828365655	603651285	/nfs/dbraw/zinc/65/12/85/603651285.db2.gz	BKHSFIFSLJMOQB-CHWSQXEVSA-N	-1	0	303.318	0.630	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)CC2CN(C(=O)[O-])C2)nc1	ZINC000831137086	603652683	/nfs/dbraw/zinc/65/26/83/603652683.db2.gz	QYOMMJBKVVGMQU-UHFFFAOYSA-N	-1	0	303.322	0.481	20	30		DCEDRM
N#CCOc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1	ZINC000831109820	603666057	/nfs/dbraw/zinc/66/60/57/603666057.db2.gz	VWPOXCHBYKUOOJ-ZYHUDNBSSA-N	-1	0	305.290	0.641	20	30		DCEDRM
C#CCNC(=O)c1ccccc1NC(=O)CC1CN(C(=O)[O-])C1	ZINC000823455277	603699583	/nfs/dbraw/zinc/69/95/83/603699583.db2.gz	BOPZPTXVQJIPDL-UHFFFAOYSA-N	-1	0	315.329	0.988	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)Nc1cccnc1Cl	ZINC000831091599	603727434	/nfs/dbraw/zinc/72/74/34/603727434.db2.gz	INRFQIOUZCDZPW-VIFPVBQESA-N	-1	0	323.740	0.861	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)NCC1CCCCC1	ZINC000831092287	603729943	/nfs/dbraw/zinc/72/99/43/603729943.db2.gz	RRLHISVDWXDSJS-ZDUSSCGKSA-N	-1	0	308.382	0.871	20	30		DCEDRM
C[C@@H]1CCCN(S(=O)(=O)CCCC#N)[C@@H]1CNC(=O)[O-]	ZINC000825930444	603757621	/nfs/dbraw/zinc/75/76/21/603757621.db2.gz	ADOJNSCGZLAZON-GHMZBOCLSA-N	-1	0	303.384	0.988	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823455284	603832790	/nfs/dbraw/zinc/83/27/90/603832790.db2.gz	BPOUUSNBCDTEKB-PWSUYJOCSA-N	-1	0	304.302	0.676	20	30		DCEDRM
C=CCCCC(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1	ZINC000823496007	603865185	/nfs/dbraw/zinc/86/51/85/603865185.db2.gz	CEEYODUUKWGVFE-LBPRGKRZSA-N	-1	0	311.382	0.965	20	30		DCEDRM
C[C@H]1CCCCN1S(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825901328	603915093	/nfs/dbraw/zinc/91/50/93/603915093.db2.gz	OHZRVBLXXIPBTE-WDEREUQCSA-N	-1	0	316.383	0.293	20	30		DCEDRM
CCC[C@H](C)CS(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826728189	603917525	/nfs/dbraw/zinc/91/75/25/603917525.db2.gz	KKNGEQJAEUCXCB-QWRGUYRKSA-N	-1	0	303.384	0.940	20	30		DCEDRM
N#CCNC(=O)COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-]	ZINC000831102812	603931123	/nfs/dbraw/zinc/93/11/23/603931123.db2.gz	VGSYTVNEZOKMSD-QWRGUYRKSA-N	-1	0	311.338	0.776	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1	ZINC000824057099	603992244	/nfs/dbraw/zinc/99/22/44/603992244.db2.gz	OUFBRXCQUHHRIP-CYBMUJFWSA-N	-1	0	324.381	0.058	20	30		DCEDRM
N#C[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C1CCCCC1	ZINC000831070625	604060642	/nfs/dbraw/zinc/06/06/42/604060642.db2.gz	PDDAPCVQDWAKOG-LBPRGKRZSA-N	-1	0	322.365	0.397	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(-c2ccoc2)n[nH]1	ZINC000831086449	604076758	/nfs/dbraw/zinc/07/67/58/604076758.db2.gz	DVUUHODXJPXOHC-JTQLQIEISA-N	-1	0	315.289	0.998	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CN2CCC[C@@H]2CNC(=O)[O-])cc1	ZINC000831126634	604076908	/nfs/dbraw/zinc/07/69/08/604076908.db2.gz	MSPUHOSQPKLGAS-CQSZACIVSA-N	-1	0	316.361	0.906	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc([N+](=O)[O-])c1N	ZINC000831091660	604077050	/nfs/dbraw/zinc/07/70/50/604077050.db2.gz	JRCOIZYWYDDVMY-QMMMGPOBSA-N	-1	0	319.277	0.505	20	30		DCEDRM
N#Cc1cccc(CC(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)c1	ZINC000831146722	604086951	/nfs/dbraw/zinc/08/69/51/604086951.db2.gz	WZHUUXSPMNPYSO-CYBMUJFWSA-N	-1	0	302.286	0.965	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CN1CCc2ccccc21	ZINC000831082570	604087262	/nfs/dbraw/zinc/08/72/62/604087262.db2.gz	OAMORZLBMSEQOP-ZDUSSCGKSA-N	-1	0	314.345	0.763	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N(C)[C@H](C)CNC(=O)[O-])c1C#N	ZINC000830511655	604135106	/nfs/dbraw/zinc/13/51/06/604135106.db2.gz	KXYSYOQNQCTXAA-SNVBAGLBSA-N	-1	0	318.333	0.920	20	30		DCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000823506658	604220952	/nfs/dbraw/zinc/22/09/52/604220952.db2.gz	JPHDAVUMVVEJEL-QWRGUYRKSA-N	-1	0	309.322	0.156	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000823505978	604242080	/nfs/dbraw/zinc/24/20/80/604242080.db2.gz	ALIATZQKNRLEGZ-BDAKNGLRSA-N	-1	0	315.326	0.176	20	30		DCEDRM
N#Cc1cc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])ccc1F	ZINC000831113547	604284092	/nfs/dbraw/zinc/28/40/92/604284092.db2.gz	DJGDYXUAKQYUPW-ZYHUDNBSSA-N	-1	0	308.265	0.854	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])nc1	ZINC000823466943	604400978	/nfs/dbraw/zinc/40/09/78/604400978.db2.gz	MSYXICBWJJVVKV-GFCCVEGCSA-N	-1	0	302.334	0.087	20	30		DCEDRM
N#CCCN(C(=O)CN[C@]1(C(=O)[O-])CCOC1)c1ccccc1	ZINC000833760150	604486688	/nfs/dbraw/zinc/48/66/88/604486688.db2.gz	HMNXINSJSSGBIO-MRXNPFEDSA-N	-1	0	317.345	0.767	20	30		DCEDRM
COCCOc1cccc(CC(=O)N(CC#N)CC(=O)[O-])c1	ZINC000831779909	604548645	/nfs/dbraw/zinc/54/86/45/604548645.db2.gz	XOBCPJOVHDMGTA-UHFFFAOYSA-N	-1	0	306.318	0.691	20	30		DCEDRM
C#CCOCCC(=O)OCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000833366280	604589618	/nfs/dbraw/zinc/58/96/18/604589618.db2.gz	PKSREFMJTRATFU-UHFFFAOYSA-N	-1	0	305.286	0.906	20	30		DCEDRM
C=C(C)CN(CC)C(=O)CN1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823474545	604594121	/nfs/dbraw/zinc/59/41/21/604594121.db2.gz	PUAQVAMWCHTFKU-OLZOCXBDSA-N	-1	0	313.398	0.768	20	30		DCEDRM
C=CCCOCCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833374819	604654512	/nfs/dbraw/zinc/65/45/12/604654512.db2.gz	HAHWVXUJJBSTIY-LBPRGKRZSA-N	-1	0	300.355	0.446	20	30		DCEDRM
COc1cc(C#N)ccc1OCCc1cn(CC(=O)[O-])nn1	ZINC000831861005	604779527	/nfs/dbraw/zinc/77/95/27/604779527.db2.gz	JSYACNNOBKWOIR-UHFFFAOYSA-N	-1	0	302.290	0.864	20	30		DCEDRM
CCCCCNC(=S)NN=C(C)c1cn(CC(=O)[O-])nn1	ZINC000829363561	604783304	/nfs/dbraw/zinc/78/33/04/604783304.db2.gz	HYXUYJHFBDFKPG-UHFFFAOYSA-N	-1	0	312.399	0.741	20	30		DCEDRM
CC1=C(C(=O)[O-])C[C@H](CN(CCC#N)CCN2CCOCC2)O1	ZINC000833585099	604831779	/nfs/dbraw/zinc/83/17/79/604831779.db2.gz	UFSMIRUYTPRTMV-CQSZACIVSA-N	-1	0	323.393	0.682	20	30		DCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNc1nc2[nH][nH]cc-2c(=O)n1	ZINC000833406086	605039658	/nfs/dbraw/zinc/03/96/58/605039658.db2.gz	LHLKAMPKOIPCCI-ZETCQYMHSA-N	-1	0	315.293	0.325	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000833369642	605060403	/nfs/dbraw/zinc/06/04/03/605060403.db2.gz	BRZBMKAIFZFEQU-SECBINFHSA-N	-1	0	317.338	0.987	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000833371942	605093495	/nfs/dbraw/zinc/09/34/95/605093495.db2.gz	ZQMRJECZMXXEOO-VIFPVBQESA-N	-1	0	324.308	0.763	20	30		DCEDRM
C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)NCC(=O)[O-]	ZINC000833531149	605222807	/nfs/dbraw/zinc/22/28/07/605222807.db2.gz	IEOMJSQUSHGPDZ-JTQLQIEISA-N	-1	0	316.313	0.988	20	30		DCEDRM
C=CCNC(=O)CNC(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC000833376881	605239302	/nfs/dbraw/zinc/23/93/02/605239302.db2.gz	TXONYRONRJJKQZ-UHFFFAOYSA-N	-1	0	321.333	0.964	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)[C@H](CC(F)F)NC(=O)[O-])C1	ZINC000833966352	605317323	/nfs/dbraw/zinc/31/73/23/605317323.db2.gz	DOJMQKXZLIZWOI-ZJUUUORDSA-N	-1	0	318.324	0.630	20	30		DCEDRM
CC(C)(C#N)CCCN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O	ZINC000823737670	605343679	/nfs/dbraw/zinc/34/36/79/605343679.db2.gz	JHSLCCQJWHBMOE-CQSZACIVSA-N	-1	0	308.338	0.991	20	30		DCEDRM
N#Cc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[O-])C3)C2=O)cc1	ZINC000831122349	605349939	/nfs/dbraw/zinc/34/99/39/605349939.db2.gz	FAESOVFTPMNJNZ-OAHLLOKOSA-N	-1	0	314.301	0.733	20	30		DCEDRM
N#Cc1ccc(F)cc1COC(=O)[C@@H](CC(N)=O)NC(=O)[O-]	ZINC000833973803	605417211	/nfs/dbraw/zinc/41/72/11/605417211.db2.gz	NIKMMAIPFXHRRB-SNVBAGLBSA-N	-1	0	309.253	0.252	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000833366355	605499180	/nfs/dbraw/zinc/49/91/80/605499180.db2.gz	SMMKIWGECFHPSN-UHFFFAOYSA-N	-1	0	304.302	0.398	20	30		DCEDRM
N#Cc1ccc(CNCC(=O)N2CCN(C(=O)[O-])CC2)c(F)c1	ZINC000831126733	605517046	/nfs/dbraw/zinc/51/70/46/605517046.db2.gz	QFVIRFAGHKOCNB-UHFFFAOYSA-N	-1	0	320.324	0.609	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(OCCNC(=O)[O-])cc1	ZINC000833787285	605571698	/nfs/dbraw/zinc/57/16/98/605571698.db2.gz	KMKIRLAKKCOLSM-UHFFFAOYSA-N	-1	0	319.317	0.411	20	30		DCEDRM
N#C[C@H](C(=O)C1CN(C(=O)[O-])C1)c1nnc2n1CCCCC2	ZINC000833960916	605586543	/nfs/dbraw/zinc/58/65/43/605586543.db2.gz	MOBPQEIJMTWAMT-SNVBAGLBSA-N	-1	0	303.322	0.791	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@@H](O)COc1ccc(F)cc1	ZINC000833966330	605685434	/nfs/dbraw/zinc/68/54/34/605685434.db2.gz	KKRGUPPVQBSMCK-MPKXVKKWSA-N	-1	0	323.324	0.657	20	30		DCEDRM
Cc1onc(CC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)c1C#N	ZINC000833936180	605695312	/nfs/dbraw/zinc/69/53/12/605695312.db2.gz	LFNZFRRDSZWTJT-JTQLQIEISA-N	-1	0	306.322	0.903	20	30		DCEDRM
Cc1onc(CC(=O)N2CC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1C#N	ZINC000833937251	605700029	/nfs/dbraw/zinc/70/00/29/605700029.db2.gz	VDZMMDRUQMNHSY-PSASIEDQSA-N	-1	0	306.322	0.902	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])n1	ZINC000830985416	605706238	/nfs/dbraw/zinc/70/62/38/605706238.db2.gz	PKJWNFHPXXSFKO-SECBINFHSA-N	-1	0	309.351	0.716	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@@H](NC(=O)CNC(=O)[O-])C2=O)cc1	ZINC000833973798	605819720	/nfs/dbraw/zinc/81/97/20/605819720.db2.gz	NIADNPOIEYVZPZ-GFCCVEGCSA-N	-1	0	316.317	0.437	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C[C@H](O)c1cccc(F)c1	ZINC000833966795	605831130	/nfs/dbraw/zinc/83/11/30/605831130.db2.gz	NSUPGLZSURPYQC-STQMWFEESA-N	-1	0	321.308	0.964	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCC[C@H]2CNC(=O)[O-])cc1	ZINC000833973116	605839743	/nfs/dbraw/zinc/83/97/43/605839743.db2.gz	KIHFAXRDSXQJHC-STQMWFEESA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)NC[C@@H](NC(=O)[O-])C2CC2)c1	ZINC000833976532	605890453	/nfs/dbraw/zinc/89/04/53/605890453.db2.gz	OBJSFDPQZRRJSO-GFCCVEGCSA-N	-1	0	316.317	0.659	20	30		DCEDRM
C#CCCCNC(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC000833362594	605926088	/nfs/dbraw/zinc/92/60/88/605926088.db2.gz	ZVWXQBJISPDDGK-UHFFFAOYSA-N	-1	0	304.302	0.862	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c(F)c1	ZINC000833975754	605942891	/nfs/dbraw/zinc/94/28/91/605942891.db2.gz	PYVGWKISPFLHNC-UHFFFAOYSA-N	-1	0	306.253	0.114	20	30		DCEDRM
N#CC1(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCSCC1	ZINC000833963275	606073157	/nfs/dbraw/zinc/07/31/57/606073157.db2.gz	KTMGLSYDXZGSCC-SNVBAGLBSA-N	-1	0	313.379	0.661	20	30		DCEDRM
N#Cc1nc(NC(=O)CC2(O)CCCCC2)[n-]c1-c1nn[nH]n1	ZINC000826382696	608011724	/nfs/dbraw/zinc/01/17/24/608011724.db2.gz	QSAUAHNMNBOURB-UHFFFAOYSA-N	-1	0	316.325	0.485	20	30		DCEDRM
N#Cc1ncn(CCCCCCn2cnc(-c3nnn[n-]3)n2)n1	ZINC000826388003	608111267	/nfs/dbraw/zinc/11/12/67/608111267.db2.gz	DKMNLDGROVQXDE-UHFFFAOYSA-N	-1	0	313.329	0.182	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)C1Cc2ccccc2C1	ZINC000893681463	661257238	/nfs/dbraw/zinc/25/72/38/661257238.db2.gz	IXWMOHIIANFTLY-NSHDSACASA-N	-1	0	307.371	0.638	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H]3CN(CC#N)CC[C@@H]32)c1[O-]	ZINC001021567586	658035903	/nfs/dbraw/zinc/03/59/03/658035903.db2.gz	VXQCBEWFCQHKSQ-NEPJUHHUSA-N	-1	0	303.366	0.874	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCCC2	ZINC000892492252	658722206	/nfs/dbraw/zinc/72/22/06/658722206.db2.gz	SFZRSACLUAKEBY-LLVKDONJSA-N	-1	0	304.350	0.384	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1cc(C(C)(C)O)co1	ZINC000893287204	659270041	/nfs/dbraw/zinc/27/00/41/659270041.db2.gz	LXNRHMXHEVJUHK-UHFFFAOYSA-N	-1	0	317.388	0.678	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(OC)c1	ZINC000726319906	661656127	/nfs/dbraw/zinc/65/61/27/661656127.db2.gz	PRGYARFCMYRKFG-SNVBAGLBSA-N	-1	0	321.289	0.688	20	30		DCEDRM
CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1C(=O)[C@H](C)C#N	ZINC000984779303	662313109	/nfs/dbraw/zinc/31/31/09/662313109.db2.gz	PKRDJGBZCMPBDC-DVVUODLYSA-N	-1	0	319.365	0.693	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1c(C)nn2cccnc12	ZINC000727952409	662324416	/nfs/dbraw/zinc/32/44/16/662324416.db2.gz	HEZFBDQKSRVYCU-NSHDSACASA-N	-1	0	315.333	0.513	20	30		DCEDRM
C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C	ZINC000986488610	662593612	/nfs/dbraw/zinc/59/36/12/662593612.db2.gz	QKDPTOICXDUDCI-JGVFFNPUSA-N	-1	0	313.745	0.228	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)c1	ZINC001007028394	662601429	/nfs/dbraw/zinc/60/14/29/662601429.db2.gz	IHPFUTOANYHTCA-JTQLQIEISA-N	-1	0	315.337	0.104	20	30		DCEDRM
C[C@@H]1C[C@H](S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)CCO1	ZINC000899927235	663201363	/nfs/dbraw/zinc/20/13/63/663201363.db2.gz	UFLAMRZUGBHFIH-FRRDWIJNSA-N	-1	0	315.391	0.684	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCN(c2ccc(F)cc2C#N)CC1	ZINC000902485159	663417077	/nfs/dbraw/zinc/41/70/77/663417077.db2.gz	QDBDFRNMJQRMAY-ZDUSSCGKSA-N	-1	0	321.308	0.446	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC000903031772	663444808	/nfs/dbraw/zinc/44/48/08/663444808.db2.gz	FBVWLASZQCRNQN-QWKFWESOSA-N	-1	0	303.380	0.894	20	30		DCEDRM
C=CCOCCCNC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000905546745	663562696	/nfs/dbraw/zinc/56/26/96/663562696.db2.gz	WGHPPQKUGHCSGA-VXGBXAGGSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](COC)[C@H]1CCCOC1	ZINC000905593225	663567979	/nfs/dbraw/zinc/56/79/79/663567979.db2.gz	ZWCZCNYQURIDLW-RYUDHWBXSA-N	-1	0	300.355	0.710	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C	ZINC000906932354	663652331	/nfs/dbraw/zinc/65/23/31/663652331.db2.gz	AMCBPCGOFFPOIJ-UHFFFAOYSA-N	-1	0	315.322	0.760	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)C1	ZINC000907128002	663669876	/nfs/dbraw/zinc/66/98/76/663669876.db2.gz	PLMCCYQORMDOMJ-UHFFFAOYSA-N	-1	0	309.343	0.370	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1	ZINC000907127966	663670046	/nfs/dbraw/zinc/67/00/46/663670046.db2.gz	OZGABQVLPNNBGX-UHFFFAOYSA-N	-1	0	315.734	0.407	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)nc1	ZINC000907477247	663697622	/nfs/dbraw/zinc/69/76/22/663697622.db2.gz	UFQQNTNLLPVEJW-NSHDSACASA-N	-1	0	300.347	0.506	20	30		DCEDRM
C#Cc1ccc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)cc1	ZINC000908530771	663759825	/nfs/dbraw/zinc/75/98/25/663759825.db2.gz	NMBIILFYCRGESS-UHFFFAOYSA-N	-1	0	300.318	0.767	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCCN1CCOC(C)(C)C1)C(=O)[O-]	ZINC000908913819	663773987	/nfs/dbraw/zinc/77/39/87/663773987.db2.gz	JFHBPSRFVPJQCF-GFCCVEGCSA-N	-1	0	313.398	0.816	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CCO[C@@H](CC)C1)C(=O)[O-]	ZINC000908999576	663778161	/nfs/dbraw/zinc/77/81/61/663778161.db2.gz	ZTHWRKZWKAZALE-SRVKXCTJSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C#CCSCCNC(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000909053259	663779908	/nfs/dbraw/zinc/77/99/08/663779908.db2.gz	WGBPBSOISRYXHV-NSHDSACASA-N	-1	0	300.380	0.532	20	30		DCEDRM
C#CCSCCNC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000909051653	663779932	/nfs/dbraw/zinc/77/99/32/663779932.db2.gz	CLFCHKOWDMKREO-UHFFFAOYSA-N	-1	0	300.380	0.628	20	30		DCEDRM
C=C[C@H](O)C(=O)NC[C@@H](Cc1ccc(OCC)cc1)C(=O)[O-]	ZINC000909171296	663785567	/nfs/dbraw/zinc/78/55/67/663785567.db2.gz	NTPCMXLXSSBJDK-OCCSQVGLSA-N	-1	0	307.346	0.992	20	30		DCEDRM
C=CCC[C@@H](NC(=O)[C@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC000909714774	663796301	/nfs/dbraw/zinc/79/63/01/663796301.db2.gz	IDZTVRCPLABZQK-NXEZZACHSA-N	-1	0	306.309	0.488	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccnn1CC(F)(F)F)C(=O)[O-]	ZINC000909771722	663800367	/nfs/dbraw/zinc/80/03/67/663800367.db2.gz	PGJSXRMXYVKUAI-QMMMGPOBSA-N	-1	0	321.255	0.831	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1cnn2c1CCCC2)C(=O)[O-]	ZINC000909770639	663800408	/nfs/dbraw/zinc/80/04/08/663800408.db2.gz	HFWJLZPHWOJWAO-LBPRGKRZSA-N	-1	0	307.350	0.534	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C1(COC)CCOCC1)C(=O)[O-]	ZINC000909771023	663800539	/nfs/dbraw/zinc/80/05/39/663800539.db2.gz	KUKNYRUMNPGRRI-LLVKDONJSA-N	-1	0	301.339	0.202	20	30		DCEDRM
C=CCN(CC(=O)[O-])c1cc(N2CCC[C@@H](CO)C2)ncn1	ZINC000910402896	663877382	/nfs/dbraw/zinc/87/73/82/663877382.db2.gz	UQQXKGVTKUCDDX-GFCCVEGCSA-N	-1	0	306.366	0.762	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@H](CC(=O)[O-])C(F)(F)F)nn1	ZINC000911166661	663996943	/nfs/dbraw/zinc/99/69/43/663996943.db2.gz	OGXKLIBJIDHBSD-MRVPVSSYSA-N	-1	0	306.244	0.990	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CN(Cc3ccccc3C#N)C2)c1[O-]	ZINC001030222117	664479045	/nfs/dbraw/zinc/47/90/45/664479045.db2.gz	GMXNHRDNTQGGIY-UHFFFAOYSA-N	-1	0	311.345	0.910	20	30		DCEDRM
N#Cc1ccc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1	ZINC000730526701	664785228	/nfs/dbraw/zinc/78/52/28/664785228.db2.gz	WKGOKRNKDPJQST-UHFFFAOYSA-N	-1	0	308.301	0.259	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC#N)c2)o1	ZINC000730767309	664805953	/nfs/dbraw/zinc/80/59/53/664805953.db2.gz	NEEDNSZAIFWKPZ-UHFFFAOYSA-N	-1	0	310.291	0.587	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)[n-]c1C#N	ZINC000915067774	664858115	/nfs/dbraw/zinc/85/81/15/664858115.db2.gz	VEPXKSXKEHOAET-JTQLQIEISA-N	-1	0	323.316	0.371	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])n1C	ZINC000916869161	665097977	/nfs/dbraw/zinc/09/79/77/665097977.db2.gz	URKMKIKOERXQBC-JTQLQIEISA-N	-1	0	322.321	0.799	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C(C)=O)cn1C	ZINC000916871002	665098032	/nfs/dbraw/zinc/09/80/32/665098032.db2.gz	PRRRNZOLARUHPD-GFCCVEGCSA-N	-1	0	305.334	0.703	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn2ccc(C)cc2n1	ZINC000916891637	665099417	/nfs/dbraw/zinc/09/94/17/665099417.db2.gz	DBXHZBUZJBTIBR-LLVKDONJSA-N	-1	0	300.318	0.728	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(OCC(=O)OC)c1	ZINC000918487098	665171981	/nfs/dbraw/zinc/17/19/81/665171981.db2.gz	PRDALFOWXLLENS-CYBMUJFWSA-N	-1	0	316.313	0.863	20	30		DCEDRM
CC#CCN1CC(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001032125677	666357367	/nfs/dbraw/zinc/35/73/67/666357367.db2.gz	ULEUZXNCUQPKHU-UHFFFAOYSA-N	-1	0	300.318	0.613	20	30		DCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000733716680	666803818	/nfs/dbraw/zinc/80/38/18/666803818.db2.gz	FIXNKFDSGLRDNQ-SNVBAGLBSA-N	-1	0	312.347	0.418	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000733722960	666808300	/nfs/dbraw/zinc/80/83/00/666808300.db2.gz	SAMVSLKFQTWLJS-LLVKDONJSA-N	-1	0	310.331	0.172	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1sc(-c2cnn(C)c2)nc1C	ZINC000734706781	666903363	/nfs/dbraw/zinc/90/33/63/666903363.db2.gz	WJTONRRJDSVUCB-SECBINFHSA-N	-1	0	303.347	0.921	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000861326584	666917791	/nfs/dbraw/zinc/91/77/91/666917791.db2.gz	LHILVHUJTOOYEG-UHFFFAOYSA-N	-1	0	314.323	0.327	20	30		DCEDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)CC(C)(C)C#N)n1	ZINC000861327324	666918066	/nfs/dbraw/zinc/91/80/66/666918066.db2.gz	XNDLLHXLCZQNPW-UHFFFAOYSA-N	-1	0	315.311	0.073	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N1CCCC1=O	ZINC000788072417	667033762	/nfs/dbraw/zinc/03/37/62/667033762.db2.gz	VDNIUBZCHGMOHA-GFCCVEGCSA-N	-1	0	300.380	0.103	20	30		DCEDRM
O=C([O-])c1cc(C=NN[C@@H]2CCCS(=O)(=O)C2)ccc1O	ZINC000863135083	667113822	/nfs/dbraw/zinc/11/38/22/667113822.db2.gz	SEOLTRDZAHBEOO-SNVBAGLBSA-N	-1	0	312.347	0.591	20	30		DCEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NN[C@@H]1CCCS(=O)(=O)C1	ZINC000863134430	667113837	/nfs/dbraw/zinc/11/38/37/667113837.db2.gz	QUTIYVMLSFPIOR-SNVBAGLBSA-N	-1	0	313.335	0.801	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000863749046	667174316	/nfs/dbraw/zinc/17/43/16/667174316.db2.gz	WGBLZMFSPKSPLB-QWHCGFSZSA-N	-1	0	304.346	0.041	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000119653339	667188862	/nfs/dbraw/zinc/18/88/62/667188862.db2.gz	LWSIBPQTSBKILI-LLVKDONJSA-N	-1	0	313.273	0.849	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)C(=O)Nc1cc(C)on1)C(=O)[O-]	ZINC000864183514	667222300	/nfs/dbraw/zinc/22/23/00/667222300.db2.gz	GLOJEUYCJSZBPW-SSDOTTSWSA-N	-1	0	301.686	0.634	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cn(C)nc1C(C)(C)C	ZINC000864438975	667254545	/nfs/dbraw/zinc/25/45/45/667254545.db2.gz	FKBDRLPKYCGQPX-UHFFFAOYSA-N	-1	0	313.379	0.426	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	ZINC000864451453	667255670	/nfs/dbraw/zinc/25/56/70/667255670.db2.gz	GVEBZNZDJVWTLG-LLVKDONJSA-N	-1	0	306.384	0.351	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)NC[C@@H](OC)[C@H]1CCOC1)C(=O)[O-]	ZINC000864529370	667258452	/nfs/dbraw/zinc/25/84/52/667258452.db2.gz	YMTQRNNARMWAOW-GARJFASQSA-N	-1	0	320.773	0.933	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC3(CCN(CC#N)C3)CC2)c1[O-]	ZINC001035176842	667262681	/nfs/dbraw/zinc/26/26/81/667262681.db2.gz	RHKAQVBQWSYDJS-UHFFFAOYSA-N	-1	0	303.366	0.875	20	30		DCEDRM
CCOC1CC2(C[C@H]2C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)C1	ZINC000870282052	667727293	/nfs/dbraw/zinc/72/72/93/667727293.db2.gz	WXLQJYQSBWKPEK-CVZZAPKMSA-N	-1	0	312.391	0.941	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](OCC)[C@@H]2CCOC2)CC1	ZINC000870369060	667734536	/nfs/dbraw/zinc/73/45/36/667734536.db2.gz	JFMNVZYKAHXAFT-VXGBXAGGSA-N	-1	0	317.407	0.983	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)Sc2nncn2C)CC1	ZINC000870831994	667764911	/nfs/dbraw/zinc/76/49/11/667764911.db2.gz	OJXWRIUZDVCZOP-QMMMGPOBSA-N	-1	0	316.408	0.460	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1	ZINC000870832680	667764916	/nfs/dbraw/zinc/76/49/16/667764916.db2.gz	DEQIZZTUTVJZDY-MNOVXSKESA-N	-1	0	303.380	0.735	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N2CCCC2=O)CC1	ZINC000870832490	667765047	/nfs/dbraw/zinc/76/50/47/667765047.db2.gz	JFQKTAYNCPOAJW-LBPRGKRZSA-N	-1	0	314.407	0.798	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(C)=O)CC1	ZINC000870836180	667765559	/nfs/dbraw/zinc/76/55/59/667765559.db2.gz	ZEPMWYZCLBODHZ-NSHDSACASA-N	-1	0	302.396	0.702	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CC(C)(C)CO1)C(=O)[O-]	ZINC000871647265	667841346	/nfs/dbraw/zinc/84/13/46/667841346.db2.gz	DETFKOJJJBIMTE-MNOVXSKESA-N	-1	0	300.355	0.757	20	30		DCEDRM
C#CC[C@H](COC)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000872509036	667905024	/nfs/dbraw/zinc/90/50/24/667905024.db2.gz	OYRBRVNCYUMBMY-MLCYQJTMSA-N	-1	0	310.441	0.755	20	30		DCEDRM
CN(CC(=O)Nc1cc(C#N)ccc1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000748410182	667926844	/nfs/dbraw/zinc/92/68/44/667926844.db2.gz	HMJYXNZJQWBTKF-LLVKDONJSA-N	-1	0	323.374	0.321	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)c1cc(F)c([O-])c(F)c1	ZINC000748482275	667930194	/nfs/dbraw/zinc/93/01/94/667930194.db2.gz	MJTJWGTYMLPEEN-UHFFFAOYSA-N	-1	0	314.244	0.839	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)NC(=O)[C@@H](C)N2C	ZINC000750686595	667984782	/nfs/dbraw/zinc/98/47/82/667984782.db2.gz	GWXLIINIRKCZSY-SCZZXKLOSA-N	-1	0	300.318	0.532	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)c1cnc([O-])n(C)c1=O	ZINC000751465578	668002934	/nfs/dbraw/zinc/00/29/34/668002934.db2.gz	HDWXLPQSZOKPIU-UHFFFAOYSA-N	-1	0	317.276	0.889	20	30		DCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)CCOC1	ZINC000755642103	668063329	/nfs/dbraw/zinc/06/33/29/668063329.db2.gz	BRHNTEZGXSZEKZ-CQSZACIVSA-N	-1	0	308.359	0.931	20	30		DCEDRM
Cn1ncc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)n1	ZINC000805102844	668099165	/nfs/dbraw/zinc/09/91/65/668099165.db2.gz	QKFNTYJYKRPIGC-UHFFFAOYSA-N	-1	0	322.306	0.073	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc2c1N(C)C(=O)CO2	ZINC000890357957	668118589	/nfs/dbraw/zinc/11/85/89/668118589.db2.gz	DWILLOCEHGUJDW-VIFPVBQESA-N	-1	0	319.317	0.603	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)NCCOCC(=O)[O-])cc1	ZINC000874402706	668181047	/nfs/dbraw/zinc/18/10/47/668181047.db2.gz	AWYLMEJZLRRURW-UHFFFAOYSA-N	-1	0	306.318	0.599	20	30		DCEDRM
CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759714555	668232990	/nfs/dbraw/zinc/23/29/90/668232990.db2.gz	ZNCQVFGPPOTALP-LLVKDONJSA-N	-1	0	309.347	0.626	20	30		DCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000761115614	668306314	/nfs/dbraw/zinc/30/63/14/668306314.db2.gz	POIVFDSLANBNKA-UHFFFAOYSA-N	-1	0	309.391	0.998	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1nn(C)c(=O)c2ccccc12	ZINC000762020993	668343414	/nfs/dbraw/zinc/34/34/14/668343414.db2.gz	HCUQEAUCELGUGQ-UHFFFAOYSA-N	-1	0	315.329	0.575	20	30		DCEDRM
N#CCc1cccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)c1	ZINC000762134854	668348276	/nfs/dbraw/zinc/34/82/76/668348276.db2.gz	VGMJKAZECQDQGY-LBPRGKRZSA-N	-1	0	308.359	0.849	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	ZINC000763034194	668392834	/nfs/dbraw/zinc/39/28/34/668392834.db2.gz	QXHIIZUBIYULMO-KWQFWETISA-N	-1	0	304.393	0.072	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)c1cncnc1	ZINC000766975735	668555331	/nfs/dbraw/zinc/55/53/31/668555331.db2.gz	MTTZVXSRHXDRIP-UHFFFAOYSA-N	-1	0	318.314	0.476	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc(S(C)(=O)=O)cs1	ZINC000767433142	668573159	/nfs/dbraw/zinc/57/31/59/668573159.db2.gz	QNGDFRCOVCKFEH-SECBINFHSA-N	-1	0	314.388	0.999	20	30		DCEDRM
COc1ccc(C=NN2CC(=O)N(C)C2=O)c(OCC(=O)[O-])c1	ZINC000768380388	668606876	/nfs/dbraw/zinc/60/68/76/668606876.db2.gz	TWHSONJJXSCTDU-UHFFFAOYSA-N	-1	0	321.289	0.387	20	30		DCEDRM
O=C([O-])Cn1cc(C=NNc2ccc(F)c([N+](=O)[O-])c2)nn1	ZINC000769828447	668664957	/nfs/dbraw/zinc/66/49/57/668664957.db2.gz	HSGBBYDEGIZZJP-UHFFFAOYSA-N	-1	0	308.229	0.856	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1	ZINC000772717830	668782132	/nfs/dbraw/zinc/78/21/32/668782132.db2.gz	RXHIKDSVVKJMTP-ZDUSSCGKSA-N	-1	0	322.386	0.923	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1csc(S(C)(=O)=O)c1	ZINC000772715783	668782382	/nfs/dbraw/zinc/78/23/82/668782382.db2.gz	RXFUJNUFDLDMIM-UHFFFAOYSA-N	-1	0	309.390	0.397	20	30		DCEDRM
C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776117685	668871164	/nfs/dbraw/zinc/87/11/64/668871164.db2.gz	VOXQSKZFJIEYOR-MNOVXSKESA-N	-1	0	304.368	0.320	20	30		DCEDRM
C#C[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)[C@H]1CCCO1	ZINC000776268131	668874489	/nfs/dbraw/zinc/87/44/89/668874489.db2.gz	AQBITEFDMCDMTR-CHWSQXEVSA-N	-1	0	313.313	0.941	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(OCCOC)c1	ZINC000777302025	668886169	/nfs/dbraw/zinc/88/61/69/668886169.db2.gz	IKHCOWWXWPRXDP-LBPRGKRZSA-N	-1	0	321.333	0.192	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CCc1ccc(OC)cc1	ZINC000778885004	668905581	/nfs/dbraw/zinc/90/55/81/668905581.db2.gz	DVFVQHNBCUCJLR-UHFFFAOYSA-N	-1	0	313.375	0.886	20	30		DCEDRM
Cn1cc(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cn1	ZINC000779319742	668909848	/nfs/dbraw/zinc/90/98/48/668909848.db2.gz	KDGYYFOKCQODJH-UHFFFAOYSA-N	-1	0	324.406	0.883	20	30		DCEDRM
N#Cc1ccc(C(=O)OCCOCC[N-]C(=O)C(F)(F)F)[nH]1	ZINC000779456240	668911000	/nfs/dbraw/zinc/91/10/00/668911000.db2.gz	GFWTWTHWQQENGX-UHFFFAOYSA-N	-1	0	319.239	0.738	20	30		DCEDRM
COc1ccc(C=NNC2=NC[C@@H](C)N2)c(OCC(=O)[O-])c1	ZINC000779792391	668936906	/nfs/dbraw/zinc/93/69/06/668936906.db2.gz	NDXVCGINZXMMJE-SECBINFHSA-N	-1	0	306.322	0.430	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CCCO[C@H]21	ZINC000780293055	668977202	/nfs/dbraw/zinc/97/72/02/668977202.db2.gz	QEHNWHJCLOBSAC-MGPQQGTHSA-N	-1	0	320.370	0.929	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1	ZINC000780313567	668978243	/nfs/dbraw/zinc/97/82/43/668978243.db2.gz	PZIZNGSPMHCPGV-NQBHXWOUSA-N	-1	0	316.361	0.764	20	30		DCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cnc2n[nH]nc2c1	ZINC000783069265	669142193	/nfs/dbraw/zinc/14/21/93/669142193.db2.gz	VHPTZJGNPBHWEJ-JTQLQIEISA-N	-1	0	300.322	0.982	20	30		DCEDRM
COc1cc(C=NNC2=NC[C@H](C)N2)ccc1OCCC(=O)[O-]	ZINC000783863251	669178830	/nfs/dbraw/zinc/17/88/30/669178830.db2.gz	QTPOCMXMROERNA-JTQLQIEISA-N	-1	0	320.349	0.820	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)CO1	ZINC000784555424	669210962	/nfs/dbraw/zinc/21/09/62/669210962.db2.gz	MOYYKVOHCABKQN-RKDXNWHRSA-N	-1	0	312.322	0.927	20	30		DCEDRM
N#Cc1cnc2c(c1)CC/C(=C\c1cn(CC(=O)[O-])nn1)C2=O	ZINC000788356850	669433947	/nfs/dbraw/zinc/43/39/47/669433947.db2.gz	XIZKYCVFVRHRMV-NYYWCZLTSA-N	-1	0	309.285	0.842	20	30		DCEDRM
C#CC[C@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1	ZINC000882340063	669504502	/nfs/dbraw/zinc/50/45/02/669504502.db2.gz	MIJHMVYYEUFQCW-NSPYISDASA-N	-1	0	322.452	0.636	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nc1	ZINC000791109760	669594140	/nfs/dbraw/zinc/59/41/40/669594140.db2.gz	UHDVOUATEADTEM-UHFFFAOYSA-N	-1	0	307.375	0.765	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(C)c1-n1cccc1	ZINC000791111233	669594410	/nfs/dbraw/zinc/59/44/10/669594410.db2.gz	RBLJSKDHFWCWPU-UHFFFAOYSA-N	-1	0	306.347	0.294	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(=O)OC)CC1	ZINC000810774647	669665525	/nfs/dbraw/zinc/66/55/25/669665525.db2.gz	PESSHNSVSJSXBZ-XYPYZODXSA-N	-1	0	301.364	0.435	20	30		DCEDRM
CC[C@@H](NN=C1CCCc2[nH]c(=O)c(C(N)=O)cc21)C(=O)[O-]	ZINC000793070382	669700628	/nfs/dbraw/zinc/70/06/28/669700628.db2.gz	AHZITWHPVZZCKA-SECBINFHSA-N	-1	0	306.322	0.379	20	30		DCEDRM
CC[C@@H](NN=C(C)c1cccc(S(=O)(=O)NC)c1)C(=O)[O-]	ZINC000793081018	669701493	/nfs/dbraw/zinc/70/14/93/669701493.db2.gz	GYMFNCAUZFBRDT-GFCCVEGCSA-N	-1	0	313.379	0.772	20	30		DCEDRM
C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000046930537	669924234	/nfs/dbraw/zinc/92/42/34/669924234.db2.gz	FYLOSIHEQNVKTK-GZMMTYOYSA-N	-1	0	307.335	0.964	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NCC1CCS(=O)(=O)CC1	ZINC000797719481	669973419	/nfs/dbraw/zinc/97/34/19/669973419.db2.gz	OMKSTPBNDBKMSH-UHFFFAOYSA-N	-1	0	304.368	0.093	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(C(=O)OC(C)(C)C)cn1	ZINC000802044269	670148980	/nfs/dbraw/zinc/14/89/80/670148980.db2.gz	LOUVKBBMNWZCLC-QMMMGPOBSA-N	-1	0	304.306	0.500	20	30		DCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2ccc(O)c(C(=O)[O-])c2)c1=O	ZINC000809158644	670441673	/nfs/dbraw/zinc/44/16/73/670441673.db2.gz	VPYCJHNQJOBFRQ-HWKANZROSA-N	-1	0	316.269	0.786	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)c1	ZINC000810520891	670488467	/nfs/dbraw/zinc/48/84/67/670488467.db2.gz	MBHYUJFORUYRTJ-UHFFFAOYSA-N	-1	0	312.310	0.944	20	30		DCEDRM
N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc2n(n1)CCO2	ZINC000810530073	670488673	/nfs/dbraw/zinc/48/86/73/670488673.db2.gz	UTIMMOYFGMCIIU-LBPRGKRZSA-N	-1	0	310.313	0.914	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)c1nnc2ccccc2n1	ZINC000810636559	670492408	/nfs/dbraw/zinc/49/24/08/670492408.db2.gz	YTKNLYXGHQPCSO-VIFPVBQESA-N	-1	0	306.285	0.964	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1cccc(OCC#N)c1	ZINC000810655691	670492905	/nfs/dbraw/zinc/49/29/05/670492905.db2.gz	WFQCSQSKXILKGT-UHFFFAOYSA-N	-1	0	321.358	0.881	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COCc1ccc(OC)cc1	ZINC000810775087	670496886	/nfs/dbraw/zinc/49/68/86/670496886.db2.gz	UTTAHKKJDSEYJM-UHFFFAOYSA-N	-1	0	311.359	0.681	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)N(C)C)c1	ZINC000810773372	670496919	/nfs/dbraw/zinc/49/69/19/670496919.db2.gz	BUBMGSVYTFUJRC-UHFFFAOYSA-N	-1	0	323.374	0.863	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(F)cc2nccnc21	ZINC000810775152	670496926	/nfs/dbraw/zinc/49/69/26/670496926.db2.gz	YPYSLIGCCPPYBP-UHFFFAOYSA-N	-1	0	307.306	0.852	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)s1	ZINC000810774103	670497014	/nfs/dbraw/zinc/49/70/14/670497014.db2.gz	CJMGLXPVOKMOTB-UHFFFAOYSA-N	-1	0	301.345	0.618	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2=O)cc1	ZINC000810774559	670497030	/nfs/dbraw/zinc/49/70/30/670497030.db2.gz	NTQIMFBFWNKCHC-UHFFFAOYSA-N	-1	0	320.370	0.896	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(OCCOC)c1	ZINC000810775898	670497174	/nfs/dbraw/zinc/49/71/74/670497174.db2.gz	YTBWMOUDGOMBMM-UHFFFAOYSA-N	-1	0	311.359	0.795	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H](NC(C)=O)c1ccccc1	ZINC000810775529	670497314	/nfs/dbraw/zinc/49/73/14/670497314.db2.gz	JPNUKXSMHKFCKP-AWEZNQCLSA-N	-1	0	322.386	0.723	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)N1CCc2ccccc2C1	ZINC000810784827	670498116	/nfs/dbraw/zinc/49/81/16/670498116.db2.gz	PEQMWEUSGSMCJA-ZDUSSCGKSA-N	-1	0	320.414	0.903	20	30		DCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)CCC(F)(F)F)n1	ZINC000810818716	670498699	/nfs/dbraw/zinc/49/86/99/670498699.db2.gz	GTJNZLZBVZIGHJ-UHFFFAOYSA-N	-1	0	307.253	0.965	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1	ZINC000812784060	670595496	/nfs/dbraw/zinc/59/54/96/670595496.db2.gz	SOBMPSZBHDESAD-SECBINFHSA-N	-1	0	320.374	0.743	20	30		DCEDRM
CC(C)COCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813979794	670666843	/nfs/dbraw/zinc/66/68/43/670666843.db2.gz	DNXTZXBIXDVWIB-UHFFFAOYSA-N	-1	0	311.363	0.821	20	30		DCEDRM
Cn1ncc(C(=O)[O-])c1C=NNC(=S)NC[C@@H]1CCCO1	ZINC000848400911	670678496	/nfs/dbraw/zinc/67/84/96/670678496.db2.gz	QPLSPOBNRKBDAQ-QMMMGPOBSA-N	-1	0	311.367	0.095	20	30		DCEDRM
COc1ccccc1-n1nccc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814233202	670682094	/nfs/dbraw/zinc/68/20/94/670682094.db2.gz	FWGATBCKUHBGHZ-UHFFFAOYSA-N	-1	0	300.278	0.766	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)CCCCCCC(=O)[O-]	ZINC000814844772	670705077	/nfs/dbraw/zinc/70/50/77/670705077.db2.gz	OTIDDXDAZQIVQL-UHFFFAOYSA-N	-1	0	316.427	0.998	20	30		DCEDRM
O=[N+]([O-])c1ccccc1S(=O)(=O)NN=Cc1cncnc1	ZINC000814865733	670706914	/nfs/dbraw/zinc/70/69/14/670706914.db2.gz	XTDHPDQLSPHOGB-UHFFFAOYSA-N	-1	0	307.291	0.697	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1	ZINC000855603078	670735076	/nfs/dbraw/zinc/73/50/76/670735076.db2.gz	LHYIBZVETMLYSY-CHWSQXEVSA-N	-1	0	322.361	0.649	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCOC(=O)N(C)C)cc1C#N	ZINC000855652139	670740903	/nfs/dbraw/zinc/74/09/03/670740903.db2.gz	BXVTUZBEEIFSLK-UHFFFAOYSA-N	-1	0	324.362	0.809	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(CCOC)cc1	ZINC000849220396	670766393	/nfs/dbraw/zinc/76/63/93/670766393.db2.gz	NDKOAICCTZQZFD-UHFFFAOYSA-N	-1	0	311.359	0.584	20	30		DCEDRM
COC(=O)N(C)CCNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000855937704	670771023	/nfs/dbraw/zinc/77/10/23/670771023.db2.gz	SVLVXKSGNAJGJE-UHFFFAOYSA-N	-1	0	324.362	0.809	20	30		DCEDRM
CCn1ncc(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)n1	ZINC000815930649	670772907	/nfs/dbraw/zinc/77/29/07/670772907.db2.gz	VXTRVDYZPAPCDQ-UHFFFAOYSA-N	-1	0	319.346	0.429	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@H](CC)Nc1nnnn1-c1ccccc1	ZINC000856031168	670777075	/nfs/dbraw/zinc/77/70/75/670777075.db2.gz	GCSMFKUSUNFATD-ZDUSSCGKSA-N	-1	0	316.365	0.899	20	30		DCEDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)cc1	ZINC000816005965	670779668	/nfs/dbraw/zinc/77/96/68/670779668.db2.gz	HAXXQNPGUYKBLN-UHFFFAOYSA-N	-1	0	321.358	0.545	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000816056061	670784036	/nfs/dbraw/zinc/78/40/36/670784036.db2.gz	CFZQXXULTDOFGD-UHFFFAOYSA-N	-1	0	305.359	0.707	20	30		DCEDRM
C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N	ZINC000816128462	670788978	/nfs/dbraw/zinc/78/89/78/670788978.db2.gz	LCUMELOTJCMRIF-GMSGAONNSA-N	-1	0	309.303	0.927	20	30		DCEDRM
C[C@H]1C(=O)N(N=Cc2ccccc2OCC(=O)[O-])C(=O)N1C	ZINC000857218162	670896811	/nfs/dbraw/zinc/89/68/11/670896811.db2.gz	MTTARYFKDHHBNZ-VIFPVBQESA-N	-1	0	305.290	0.766	20	30		DCEDRM
Cn1[nH]cc2c(=NC(=O)C(=O)N3CC[C@@](C)(C#N)C3)ccnc1-2	ZINC000850701243	670933779	/nfs/dbraw/zinc/93/37/79/670933779.db2.gz	HSKVOXUNGKGNIE-HNNXBMFYSA-N	-1	0	312.333	0.042	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000850737768	670937598	/nfs/dbraw/zinc/93/75/98/670937598.db2.gz	TXAGYIRALLUCIK-GFCCVEGCSA-N	-1	0	311.363	0.357	20	30		DCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccn2nnnc2c1	ZINC000850752523	670938071	/nfs/dbraw/zinc/93/80/71/670938071.db2.gz	PGQGTRPNKLJXNW-LLVKDONJSA-N	-1	0	300.322	0.753	20	30		DCEDRM
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000817882931	670950009	/nfs/dbraw/zinc/95/00/09/670950009.db2.gz	JZDGOQXGOMZENB-SECBINFHSA-N	-1	0	322.267	0.818	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC000817882959	670950018	/nfs/dbraw/zinc/95/00/18/670950018.db2.gz	LADKKEYUYBDTOG-CYBMUJFWSA-N	-1	0	316.313	0.713	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000850884223	670952557	/nfs/dbraw/zinc/95/25/57/670952557.db2.gz	RNKLQIMDOAALHI-GFCCVEGCSA-N	-1	0	302.396	0.846	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12	ZINC000850913747	670954104	/nfs/dbraw/zinc/95/41/04/670954104.db2.gz	VHEHSLMMHQGHKG-AXFHLTTASA-N	-1	0	300.380	0.313	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000850940429	670956220	/nfs/dbraw/zinc/95/62/20/670956220.db2.gz	NMQRHXZEIYJFIO-LLVKDONJSA-N	-1	0	313.379	0.207	20	30		DCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000850989022	670959892	/nfs/dbraw/zinc/95/98/92/670959892.db2.gz	YFWUVEMJVSRYIZ-JTQLQIEISA-N	-1	0	304.368	0.178	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1	ZINC000850999680	670960409	/nfs/dbraw/zinc/96/04/09/670960409.db2.gz	IYHIFYKTCYAGND-ZIAGYGMSSA-N	-1	0	323.370	0.612	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CCC1	ZINC000851040406	670963623	/nfs/dbraw/zinc/96/36/23/670963623.db2.gz	JHZSWROBVLRGJF-GFCCVEGCSA-N	-1	0	309.347	0.573	20	30		DCEDRM
COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)c1	ZINC000851107804	670968969	/nfs/dbraw/zinc/96/89/69/670968969.db2.gz	BPUQJJXPTMSAJE-ZETCQYMHSA-N	-1	0	300.292	0.421	20	30		DCEDRM
CO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000851192251	670972792	/nfs/dbraw/zinc/97/27/92/670972792.db2.gz	DYHOIHNDSSHSQU-MRVPVSSYSA-N	-1	0	300.311	0.678	20	30		DCEDRM
C=CCn1cc(C(=O)N2CC3(CCC3)[C@](F)(C(=O)[O-])C2)nn1	ZINC000851614579	670999913	/nfs/dbraw/zinc/99/99/13/670999913.db2.gz	PMLYHCGWFCDFTR-CQSZACIVSA-N	-1	0	308.313	0.883	20	30		DCEDRM
C=CCCSCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000851683410	671011773	/nfs/dbraw/zinc/01/17/73/671011773.db2.gz	FQPKSAYILJPVRO-CQSZACIVSA-N	-1	0	314.407	0.735	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CCOCC)CCOCC1	ZINC000820047884	671158876	/nfs/dbraw/zinc/15/88/76/671158876.db2.gz	FJSLANPYGBHHDS-UHFFFAOYSA-N	-1	0	305.396	0.842	20	30		DCEDRM
COc1ccc2c(c1)OC[C@H]2CC(=O)N[C@@H]1CCN(O)C1=O	ZINC000820147885	671172296	/nfs/dbraw/zinc/17/22/96/671172296.db2.gz	ABNHGAXGZIXJKQ-BXKDBHETSA-N	-1	0	306.318	0.668	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccc(C(N)=O)o2)CC1	ZINC000853125336	671210161	/nfs/dbraw/zinc/21/01/61/671210161.db2.gz	QNXWOWSYIHZVDP-XQRVVYSFSA-N	-1	0	324.358	0.946	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(Cl)nn(C)c1Cl	ZINC000860720824	671233036	/nfs/dbraw/zinc/23/30/36/671233036.db2.gz	OSRIIPUJBCEIHR-UHFFFAOYSA-N	-1	0	310.162	0.810	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@]1(C2CCCC2)CCNC1=O	ZINC000860751970	671235337	/nfs/dbraw/zinc/23/53/37/671235337.db2.gz	IRPUEAWQJNSRNS-ZDUSSCGKSA-N	-1	0	313.379	0.043	20	30		DCEDRM
C[C@H]1Oc2c(cccc2C(=O)[N-]S(=O)(=O)CCC#N)NC1=O	ZINC000821584231	671284599	/nfs/dbraw/zinc/28/45/99/671284599.db2.gz	VZYBKEBSMGJTLV-MRVPVSSYSA-N	-1	0	323.330	0.379	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F	ZINC000824659765	671435746	/nfs/dbraw/zinc/43/57/46/671435746.db2.gz	LSIFXSUMMUMJMN-JGVFFNPUSA-N	-1	0	301.286	0.833	20	30		DCEDRM
C[C@H]1CCCCN1C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000824936772	671444577	/nfs/dbraw/zinc/44/45/77/671444577.db2.gz	LUISREISRNLUSD-VIFPVBQESA-N	-1	0	300.326	0.336	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000825967349	671475952	/nfs/dbraw/zinc/47/59/52/671475952.db2.gz	UDYQMXUGZNGANZ-IONNQARKSA-N	-1	0	307.331	0.827	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)CC1CN(C(=O)[O-])C1	ZINC000827019879	671510923	/nfs/dbraw/zinc/51/09/23/671510923.db2.gz	GQITVUWURCBTQQ-JTQLQIEISA-N	-1	0	311.338	0.538	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000830058619	671608856	/nfs/dbraw/zinc/60/88/56/671608856.db2.gz	XSNVHPLDPZMMGK-WCQYABFASA-N	-1	0	303.380	0.706	20	30		DCEDRM
C=CCn1cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)nn1	ZINC000830125259	671613947	/nfs/dbraw/zinc/61/39/47/671613947.db2.gz	NLVWTWTZWFGMFU-UHFFFAOYSA-N	-1	0	306.244	0.690	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC000831083452	671652506	/nfs/dbraw/zinc/65/25/06/671652506.db2.gz	ZWLNTTYTAIEDBC-OLZOCXBDSA-N	-1	0	321.377	0.411	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H](CNC(C)=O)CC(C)C	ZINC000835252636	671791517	/nfs/dbraw/zinc/79/15/17/671791517.db2.gz	BWSXKAIHHZKFGA-LBPRGKRZSA-N	-1	0	304.412	0.807	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CNC(=O)CC1CCCCC1	ZINC000835411386	671795812	/nfs/dbraw/zinc/79/58/12/671795812.db2.gz	LTQBEHPNENXPCT-UHFFFAOYSA-N	-1	0	315.395	0.433	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCCC(=O)N2	ZINC000835411805	671795933	/nfs/dbraw/zinc/79/59/33/671795933.db2.gz	PCLUOEHLMBHUNY-UHFFFAOYSA-N	-1	0	321.358	0.935	20	30		DCEDRM
C#C[C@@H]([N-]S(=O)(=O)N=S(=O)(CC)CC)[C@H]1CCCO1	ZINC000867125954	671797918	/nfs/dbraw/zinc/79/79/18/671797918.db2.gz	RBIADDWULIRHPK-GHMZBOCLSA-N	-1	0	308.425	0.509	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1nc(CC)cs1	ZINC000835589296	671801004	/nfs/dbraw/zinc/80/10/04/671801004.db2.gz	FOAWPCNKOKTQFL-MRVPVSSYSA-N	-1	0	302.377	0.549	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)C[C@H](C)CCC)nn1	ZINC000842716584	672031215	/nfs/dbraw/zinc/03/12/15/672031215.db2.gz	XDZJUKYYQPEYEV-SNVBAGLBSA-N	-1	0	300.384	0.960	20	30		DCEDRM
CC(C)(C)OC(=O)COCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000842750038	672033534	/nfs/dbraw/zinc/03/35/34/672033534.db2.gz	METXXDBIDIXTLM-UHFFFAOYSA-N	-1	0	320.367	0.094	20	30		DCEDRM
CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000844656698	672191784	/nfs/dbraw/zinc/19/17/84/672191784.db2.gz	IVSVFNPXXDNHTL-SNVBAGLBSA-N	-1	0	314.367	0.765	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(C(=O)NCC)cc1	ZINC000846151867	672297897	/nfs/dbraw/zinc/29/78/97/672297897.db2.gz	IVMYXHWHLUCUHR-JTQLQIEISA-N	-1	0	305.334	0.997	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C	ZINC000846156267	672298280	/nfs/dbraw/zinc/29/82/80/672298280.db2.gz	TXNMAKCOQPYLLB-SECBINFHSA-N	-1	0	318.333	0.438	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)CNS(=O)(=O)c1c(C)noc1C	ZINC000846663274	672334511	/nfs/dbraw/zinc/33/45/11/672334511.db2.gz	QJIXXGQIDNXBCJ-ZETCQYMHSA-N	-1	0	303.340	0.192	20	30		DCEDRM
CCOC(=O)C1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000793195582	685343874	/nfs/dbraw/zinc/34/38/74/685343874.db2.gz	DOWLWMZXGKNNBU-UHFFFAOYSA-N	-1	0	300.336	0.079	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cn2ncc3ccccc32)CC1	ZINC000793194950	685343884	/nfs/dbraw/zinc/34/38/84/685343884.db2.gz	DGNSXGYWYQXGAY-UHFFFAOYSA-N	-1	0	318.358	0.786	20	30		DCEDRM
COCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984683	685351664	/nfs/dbraw/zinc/35/16/64/685351664.db2.gz	ZQEKWFZUQGKCCL-UHFFFAOYSA-N	-1	0	311.363	0.821	20	30		DCEDRM
Cn1cc2c(n1)CCC[C@@H]2C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000798849309	685347729	/nfs/dbraw/zinc/34/77/29/685347729.db2.gz	ZZVCCQZASKUNGR-JTQLQIEISA-N	-1	0	324.406	0.836	20	30		DCEDRM
Cn1ncc(C2CC2)c1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000850928591	685370646	/nfs/dbraw/zinc/37/06/46/685370646.db2.gz	GAACJCVSDNAJQQ-UHFFFAOYSA-N	-1	0	310.379	0.907	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)[O-]	ZINC000149626099	685131216	/nfs/dbraw/zinc/13/12/16/685131216.db2.gz	XMJLLWKCZLFXAP-ZETCQYMHSA-N	-1	0	302.208	0.600	20	30		DCEDRM
C=C(Cl)CN1C[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1	ZINC000957974704	687283421	/nfs/dbraw/zinc/28/34/21/687283421.db2.gz	HURFUCFUTPBTPH-NXEZZACHSA-N	-1	0	314.773	0.199	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1	ZINC001007143261	690632814	/nfs/dbraw/zinc/63/28/14/690632814.db2.gz	MOMJFCHHHNOCMD-JTQLQIEISA-N	-1	0	315.337	0.104	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001015828486	692458126	/nfs/dbraw/zinc/45/81/26/692458126.db2.gz	IUSYCBMYLJKOFA-MDZLAQPJSA-N	-1	0	321.381	0.182	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)c1[O-]	ZINC001019363000	693446914	/nfs/dbraw/zinc/44/69/14/693446914.db2.gz	KINVWEAXQUPQBG-VIFPVBQESA-N	-1	0	317.349	0.258	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001076300494	695012001	/nfs/dbraw/zinc/01/20/01/695012001.db2.gz	LSWRHXDOSDUUEH-VFZGTOFNSA-N	-1	0	324.381	0.375	20	30		DCEDRM
C#Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cc1	ZINC001570728176	1162604064	/nfs/dbraw/zinc/60/40/64/1162604064.db2.gz	KDYVQYOWKCVBAI-LLVKDONJSA-N	-1	0	313.361	0.742	20	30		DCEDRM
C=CCCC(=O)N(C)C[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O	ZINC001572241252	1163074786	/nfs/dbraw/zinc/07/47/86/1163074786.db2.gz	IWLIWCDFNYYZQB-SNVBAGLBSA-N	-1	0	322.365	0.029	20	30		DCEDRM
CN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001567911616	1160531134	/nfs/dbraw/zinc/53/11/34/1160531134.db2.gz	PUQHTYUBFDYPPZ-LLVKDONJSA-N	-1	0	305.382	0.593	20	30		DCEDRM
C#CCCCC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1	ZINC001569874863	1161290855	/nfs/dbraw/zinc/29/08/55/1161290855.db2.gz	JQJYCDRXWHQCGT-TXEJJXNPSA-N	-1	0	303.366	0.204	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001569905309	1161310539	/nfs/dbraw/zinc/31/05/39/1161310539.db2.gz	AZZZMNCKLVFPOP-CHWSQXEVSA-N	-1	0	317.393	0.879	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)Cn1cc([C@@H](C)O)nn1)C(=O)[O-]	ZINC001573308110	1163411964	/nfs/dbraw/zinc/41/19/64/1163411964.db2.gz	PXVDVMCDEJFWSY-SFYZADRCSA-N	-1	0	302.718	0.043	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	ZINC001573536107	1163461801	/nfs/dbraw/zinc/46/18/01/1163461801.db2.gz	UUDQSUMLBRORSW-YTWAJWBKSA-N	-1	0	301.368	0.403	20	30		DCEDRM
C[C@@H](NC(=O)Nc1cc(CC#N)ccn1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001573551662	1163492407	/nfs/dbraw/zinc/49/24/07/1163492407.db2.gz	BJXIDCPZFMARGR-BDAKNGLRSA-N	-1	0	319.321	0.247	20	30		DCEDRM
Cc1ccc(C(=O)Nc2c(C(=O)[O-])cnn2CCC#N)nn1	ZINC001574151957	1163648708	/nfs/dbraw/zinc/64/87/08/1163648708.db2.gz	ISTJZVVQIAAGBE-UHFFFAOYSA-N	-1	0	300.278	0.846	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)NCc2[nH]cnc2C(=O)[O-])c1	ZINC001574241826	1163672160	/nfs/dbraw/zinc/67/21/60/1163672160.db2.gz	SBNKBVYZXBVNFA-UHFFFAOYSA-N	-1	0	320.330	0.652	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1	ZINC001574241027	1163672356	/nfs/dbraw/zinc/67/23/56/1163672356.db2.gz	DTJHUTLGKADNBD-UHFFFAOYSA-N	-1	0	316.317	0.975	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CC2(C(=O)[O-])CCOCC2)nc1	ZINC001574244988	1163672614	/nfs/dbraw/zinc/67/26/14/1163672614.db2.gz	DYDMSUCBNQZBOU-UHFFFAOYSA-N	-1	0	303.318	0.841	20	30		DCEDRM
N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nc1	ZINC001574248891	1163673551	/nfs/dbraw/zinc/67/35/51/1163673551.db2.gz	AZUVBPDSEKLMLF-IJLUTSLNSA-N	-1	0	301.302	0.654	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)NC[C@]2(C(=O)[O-])CCCOC2)cc1	ZINC001574245310	1163673574	/nfs/dbraw/zinc/67/35/74/1163673574.db2.gz	LFKIGFAOADCMHV-XJKSGUPXSA-N	-1	0	318.329	0.589	20	30		DCEDRM
N#Cc1ccsc1NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO	ZINC001574249487	1163674812	/nfs/dbraw/zinc/67/48/12/1163674812.db2.gz	WRWOXPABIITPNO-DTWKUNHWSA-N	-1	0	310.335	0.712	20	30		DCEDRM
CC[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)[C@@H](CC)CO1	ZINC001577178163	1164624084	/nfs/dbraw/zinc/62/40/84/1164624084.db2.gz	RJZZLXOHPZPENH-UWVGGRQHSA-N	-1	0	314.353	0.922	20	30		DCEDRM
CCCC=C[C@@H](O)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001577393655	1164685237	/nfs/dbraw/zinc/68/52/37/1164685237.db2.gz	XKPMLGKXTTZCSS-PULIVWKDSA-N	-1	0	302.298	0.117	20	30		DCEDRM
CCc1nnc(C)cc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001578702396	1165088075	/nfs/dbraw/zinc/08/80/75/1165088075.db2.gz	RMTNLXRKVRKEEQ-UHFFFAOYSA-N	-1	0	324.308	0.375	20	30		DCEDRM
CN(Cc1ccc(O)cc1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579252880	1165251106	/nfs/dbraw/zinc/25/11/06/1165251106.db2.gz	AKGHRYSWSUPDTK-UHFFFAOYSA-N	-1	0	308.305	0.870	20	30		DCEDRM
COc1ccc(CN(C)c2cnc(C#N)c(-c3nnn[n-]3)n2)cn1	ZINC001580001071	1165466822	/nfs/dbraw/zinc/46/68/22/1165466822.db2.gz	HXBBWTXNTZADEF-UHFFFAOYSA-N	-1	0	323.320	0.568	20	30		DCEDRM
N#CCN[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1	ZINC001581857942	1165889616	/nfs/dbraw/zinc/88/96/16/1165889616.db2.gz	KXSZNEZOHCNLBK-GHMZBOCLSA-N	-1	0	314.353	0.349	20	30		DCEDRM
N#Cc1cc(F)ccc1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O	ZINC001581866561	1165895500	/nfs/dbraw/zinc/89/55/00/1165895500.db2.gz	JQMAKCQGFAPCMH-UHFFFAOYSA-N	-1	0	313.252	0.188	20	30		DCEDRM
N#Cc1ncc(N[C@H](CCO)C2CCCC2)nc1-c1nnn[n-]1	ZINC001581882853	1165902123	/nfs/dbraw/zinc/90/21/23/1165902123.db2.gz	JRHWKBHHGJKNHJ-SNVBAGLBSA-N	-1	0	314.353	0.881	20	30		DCEDRM
N#Cc1ncc(N2CC(O)(c3ccccc3)C2)nc1-c1nnn[n-]1	ZINC001581881793	1165902406	/nfs/dbraw/zinc/90/24/06/1165902406.db2.gz	ADNLMNPKMSSIRF-UHFFFAOYSA-N	-1	0	320.316	0.236	20	30		DCEDRM
N#Cc1ncc(Nc2ccc(CC(N)=O)cc2)nc1-c1nnn[n-]1	ZINC001581884961	1165904755	/nfs/dbraw/zinc/90/47/55/1165904755.db2.gz	IJFRLOBDMHJIOB-UHFFFAOYSA-N	-1	0	321.304	0.300	20	30		DCEDRM
C=CCO[C@H](C)C(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001583219752	1166225955	/nfs/dbraw/zinc/22/59/55/1166225955.db2.gz	NXDURLOIERVMDB-ISALQUGTSA-N	-1	0	322.365	0.417	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001583219756	1166226578	/nfs/dbraw/zinc/22/65/78/1166226578.db2.gz	NXDURLOIERVMDB-QRGHLMKCSA-N	-1	0	322.365	0.417	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001583219749	1166227025	/nfs/dbraw/zinc/22/70/25/1166227025.db2.gz	NXDURLOIERVMDB-GZTOBOFZSA-N	-1	0	322.365	0.417	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2c(O)cccc2F)c(=O)[n-]c1=O	ZINC001583971368	1166296893	/nfs/dbraw/zinc/29/68/93/1166296893.db2.gz	CYDQGZFHCBONJK-UHFFFAOYSA-N	-1	0	318.264	0.694	20	30		DCEDRM
Cc1ccc(-n2[n-]c(C(=O)n3ncc(C#N)c3N)cc2=O)cc1	ZINC001586050972	1166476289	/nfs/dbraw/zinc/47/62/89/1166476289.db2.gz	JVUSKNKNBCBKJO-UHFFFAOYSA-N	-1	0	308.301	0.813	20	30		DCEDRM
N#Cc1cn(CC(=O)N2Cc3cccc(O)c3C2)c(=O)[n-]c1=O	ZINC001587933338	1166513429	/nfs/dbraw/zinc/51/34/29/1166513429.db2.gz	RWOLYNKYYGAHMV-UHFFFAOYSA-N	-1	0	312.285	0.069	20	30		DCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC001588326522	1166522716	/nfs/dbraw/zinc/52/27/16/1166522716.db2.gz	ODRHWOFTKPKYQA-SSDOTTSWSA-N	-1	0	322.306	0.075	20	30		DCEDRM
C#C[C@@H](NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C)C(C)C	ZINC001588330020	1166526140	/nfs/dbraw/zinc/52/61/40/1166526140.db2.gz	SQZXQAFMYWLPPW-SNVBAGLBSA-N	-1	0	300.322	0.663	20	30		DCEDRM
C#CC1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CCCC1	ZINC001588333495	1166530464	/nfs/dbraw/zinc/53/04/64/1166530464.db2.gz	UKMJLHHOCFVCMB-UHFFFAOYSA-N	-1	0	307.335	0.684	20	30		DCEDRM
C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001588351772	1166540388	/nfs/dbraw/zinc/54/03/88/1166540388.db2.gz	JOFATOOULDISLM-TXEJJXNPSA-N	-1	0	311.349	0.117	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(C(=O)OCC)c(C)n1)C(=O)[O-]	ZINC001588414885	1166550998	/nfs/dbraw/zinc/55/09/98/1166550998.db2.gz	VJAUEJUTYJIMIG-GFCCVEGCSA-N	-1	0	304.302	0.773	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001588428968	1166554311	/nfs/dbraw/zinc/55/43/11/1166554311.db2.gz	KLIJLJNTFOXLFO-UHFFFAOYSA-N	-1	0	316.321	0.220	20	30		DCEDRM
C#CCOCCC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588489634	1166556849	/nfs/dbraw/zinc/55/68/49/1166556849.db2.gz	IBBOKOGJJLNFAM-NSHDSACASA-N	-1	0	306.322	0.180	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)[nH]c1C	ZINC001588718369	1166582123	/nfs/dbraw/zinc/58/21/23/1166582123.db2.gz	KHPYRBHGKJGCIH-PWSUYJOCSA-N	-1	0	302.338	0.967	20	30		DCEDRM
CC(=O)CC(C)(C)CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001588786950	1166590590	/nfs/dbraw/zinc/59/05/90/1166590590.db2.gz	RFUBCCNYPWHXNX-UHFFFAOYSA-N	-1	0	316.325	0.795	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NC(C)CN2C(=O)CCC2=O)o1	ZINC001589848531	1166701190	/nfs/dbraw/zinc/70/11/90/1166701190.db2.gz	GVOSZQKCEPSUKI-UHFFFAOYSA-N	-1	0	318.297	0.100	20	30		DCEDRM
CC1(C)C[C@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C(=O)O1	ZINC001590083205	1166769231	/nfs/dbraw/zinc/76/92/31/1166769231.db2.gz	BHRDTMLQGKNPNR-LURJTMIESA-N	-1	0	300.282	0.034	20	30		DCEDRM
CC1(C)CC[C@@H](Cn2c(N)nc(-c3nnn[n-]3)c2C#N)OC1	ZINC001590090472	1166771048	/nfs/dbraw/zinc/77/10/48/1166771048.db2.gz	JNLYBAZFYFOFEX-QMMMGPOBSA-N	-1	0	302.342	0.722	20	30		DCEDRM
CCN(C[C@H]1CCCO1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590691076	1166975174	/nfs/dbraw/zinc/97/51/74/1166975174.db2.gz	GGUMDPCGZNCWJC-SECBINFHSA-N	-1	0	300.326	0.534	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)c1ccsc1-c1nnn[n-]1	ZINC001590691936	1166976105	/nfs/dbraw/zinc/97/61/05/1166976105.db2.gz	RLJQRGNMENUXDE-UHFFFAOYSA-N	-1	0	312.380	0.852	20	30		DCEDRM
CCOC(=O)[C@H](C)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590750452	1167002347	/nfs/dbraw/zinc/00/23/47/1167002347.db2.gz	KLSIIQWOKMDERT-SSDOTTSWSA-N	-1	0	302.298	0.139	20	30		DCEDRM
CN(Cc1ccccc1O)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001591147182	1167117147	/nfs/dbraw/zinc/11/71/47/1167117147.db2.gz	AMOQUWMMPVKFJE-UHFFFAOYSA-N	-1	0	308.305	0.870	20	30		DCEDRM
COCCCN(CCOC)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001591414383	1167270950	/nfs/dbraw/zinc/27/09/50/1167270950.db2.gz	NYGVKYFBLAKPMR-UHFFFAOYSA-N	-1	0	318.341	0.018	20	30		DCEDRM
COCc1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cc1	ZINC001591455967	1167294065	/nfs/dbraw/zinc/29/40/65/1167294065.db2.gz	BTMDPZAGNCFACE-UHFFFAOYSA-N	-1	0	324.304	0.860	20	30		DCEDRM
COc1cc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)ccc1C	ZINC001591539960	1167326845	/nfs/dbraw/zinc/32/68/45/1167326845.db2.gz	JOEZFLDAWVCMSZ-UHFFFAOYSA-N	-1	0	310.321	0.882	20	30		DCEDRM
COc1ncc(NC(=O)N(C)CCC#N)cc1-c1nn[nH]n1	ZINC001591664163	1167344278	/nfs/dbraw/zinc/34/42/78/1167344278.db2.gz	CMXXMDVEHYRNBF-UHFFFAOYSA-N	-1	0	302.298	0.648	20	30		DCEDRM
Cc1ccn(CN2CCC(CC#N)CC2)c(=O)c1-c1nnn[n-]1	ZINC001592266353	1167480403	/nfs/dbraw/zinc/48/04/03/1167480403.db2.gz	AHKRXWOECQBIDV-UHFFFAOYSA-N	-1	0	313.365	0.920	20	30		DCEDRM
N#CC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1	ZINC001592673446	1167596426	/nfs/dbraw/zinc/59/64/26/1167596426.db2.gz	FJHQJWANHGODKD-SECBINFHSA-N	-1	0	322.350	0.774	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1C[C@@H]1C[C@H]2CCC[C@@H]2O1	ZINC001592682065	1167600718	/nfs/dbraw/zinc/60/07/18/1167600718.db2.gz	OHFBLUNBNUVTKQ-WEDXCCLWSA-N	-1	0	300.326	0.475	20	30		DCEDRM
N#Cc1cc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)ccn1	ZINC001592688210	1167602482	/nfs/dbraw/zinc/60/24/82/1167602482.db2.gz	IEOUFOGBNHSTOE-UHFFFAOYSA-N	-1	0	304.277	0.407	20	30		DCEDRM
N#Cc1ncc(N2CCc3ncsc3C2)nc1-c1nnn[n-]1	ZINC001592708305	1167606986	/nfs/dbraw/zinc/60/69/86/1167606986.db2.gz	HZZCQRZDNPIFKE-UHFFFAOYSA-N	-1	0	311.334	0.548	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@H]2[C@H]2CCCO2)nc1-c1nnn[n-]1	ZINC001592708453	1167607632	/nfs/dbraw/zinc/60/76/32/1167607632.db2.gz	RPTLNNXDXCAERM-WDEREUQCSA-N	-1	0	312.337	0.676	20	30		DCEDRM
N#Cc1ncc(NCCOC2CCCC2)nc1-c1nnn[n-]1	ZINC001592710384	1167609566	/nfs/dbraw/zinc/60/95/66/1167609566.db2.gz	NKGAQGVTPKVXID-UHFFFAOYSA-N	-1	0	300.326	0.899	20	30		DCEDRM
N#Cc1ncc(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)nc1-c1nnn[n-]1	ZINC001592710659	1167610473	/nfs/dbraw/zinc/61/04/73/1167610473.db2.gz	SSNSJOXARHDNTP-QXEWZRGKSA-N	-1	0	312.337	0.898	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H](C(=O)[O-])C1	ZINC001598794161	1168036386	/nfs/dbraw/zinc/03/63/86/1168036386.db2.gz	AYIGBNCFNBSUSX-GXSJLCMTSA-N	-1	0	305.290	0.365	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](C(=O)[O-])C1	ZINC001598798837	1168041016	/nfs/dbraw/zinc/04/10/16/1168041016.db2.gz	RKOYWCRLTVOPTM-KWQFWETISA-N	-1	0	305.290	0.365	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001600075310	1168112054	/nfs/dbraw/zinc/11/20/54/1168112054.db2.gz	RUSIIABONILOAP-GFCCVEGCSA-N	-1	0	304.302	0.813	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001600074571	1168112286	/nfs/dbraw/zinc/11/22/86/1168112286.db2.gz	KFHXEYSTYRZRLP-UHFFFAOYSA-N	-1	0	321.358	0.915	20	30		DCEDRM
Cc1ccccc1C1=NO[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC001600575754	1168202264	/nfs/dbraw/zinc/20/22/64/1168202264.db2.gz	NLIJTWALZNBJNZ-CYBMUJFWSA-N	-1	0	301.302	0.925	20	30		DCEDRM
Cc1oc(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1C(=O)[O-]	ZINC001600846860	1168484367	/nfs/dbraw/zinc/48/43/67/1168484367.db2.gz	ZTDHVZJALZJGKK-HZMBPMFUSA-N	-1	0	324.358	0.656	20	30		DCEDRM
N#CC1(C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])CCOCC1	ZINC001601050478	1168577522	/nfs/dbraw/zinc/57/75/22/1168577522.db2.gz	QEJONQQIYXKFDO-CYBMUJFWSA-N	-1	0	317.345	0.761	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCCC23CCC3)CC1	ZINC001601048392	1168577583	/nfs/dbraw/zinc/57/75/83/1168577583.db2.gz	FRLBZHFGNVQPML-UHFFFAOYSA-N	-1	0	319.361	0.748	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)CCCC1	ZINC001601057810	1168578793	/nfs/dbraw/zinc/57/87/93/1168578793.db2.gz	FZUKHFADAMJFBL-LLVKDONJSA-N	-1	0	316.379	0.576	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCSC[C@@H](C(=O)[O-])C2)CC1	ZINC001601058517	1168578881	/nfs/dbraw/zinc/57/88/81/1168578881.db2.gz	VTKQQEHVJVMCHI-VIFPVBQESA-N	-1	0	304.393	0.370	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)C1	ZINC001601061945	1168579334	/nfs/dbraw/zinc/57/93/34/1168579334.db2.gz	AEODBNRMVCOTLX-ZDUSSCGKSA-N	-1	0	316.379	0.312	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)C1	ZINC001601062253	1168579537	/nfs/dbraw/zinc/57/95/37/1168579537.db2.gz	GMCKWNIYKMEZQG-MRXNPFEDSA-N	-1	0	317.345	0.987	20	30		DCEDRM
N#CCC1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])CC1	ZINC001601064271	1168579580	/nfs/dbraw/zinc/57/95/80/1168579580.db2.gz	QVKOQQWMDKGGCV-UHFFFAOYSA-N	-1	0	310.354	0.303	20	30		DCEDRM
N#CCCN1CCN(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CC1	ZINC001601067702	1168580629	/nfs/dbraw/zinc/58/06/29/1168580629.db2.gz	HXQLYMOEHZECFK-SYQHCUMBSA-N	-1	0	320.393	0.727	20	30		DCEDRM
N#CCOc1ccc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1	ZINC001601073783	1168581799	/nfs/dbraw/zinc/58/17/99/1168581799.db2.gz	ABTTWNOYXGOSKN-ZYHUDNBSSA-N	-1	0	319.317	0.888	20	30		DCEDRM
N#CCN(CCC(=O)[O-])CC(=O)NCc1ccc2c(c1)OCO2	ZINC001601072968	1168581846	/nfs/dbraw/zinc/58/18/46/1168581846.db2.gz	VERQDAYZPRYPTH-UHFFFAOYSA-N	-1	0	319.317	0.332	20	30		DCEDRM
N#CCc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	ZINC001601076379	1168582478	/nfs/dbraw/zinc/58/24/78/1168582478.db2.gz	GWPVCAKUYSFYQZ-LBPRGKRZSA-N	-1	0	301.302	0.168	20	30		DCEDRM
N#C[C@@]12CN(Cc3cccc(C(=O)[O-])c3)C[C@@H]1CS(=O)(=O)C2	ZINC001601079330	1168583031	/nfs/dbraw/zinc/58/30/31/1168583031.db2.gz	JVAKNVYXWHVBRK-HIFRSBDPSA-N	-1	0	320.370	0.755	20	30		DCEDRM
N#Cc1cc(CS(=O)(=O)N[C@H](CCF)C(=O)[O-])cs1	ZINC001601086742	1168583510	/nfs/dbraw/zinc/58/35/10/1168583510.db2.gz	HDORSFSGETUEMK-SECBINFHSA-N	-1	0	306.340	0.852	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)o1	ZINC001601092004	1168583833	/nfs/dbraw/zinc/58/38/33/1168583833.db2.gz	FWYACEVTBGKGCE-SECBINFHSA-N	-1	0	315.289	0.918	20	30		DCEDRM
N#Cc1ccc(C(=O)COC(=O)Cn2cc(C(=O)[O-])nn2)cc1	ZINC001601092637	1168583903	/nfs/dbraw/zinc/58/39/03/1168583903.db2.gz	PMKXUSWBSRIQFI-UHFFFAOYSA-N	-1	0	314.257	0.274	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])cn1	ZINC001601094000	1168583927	/nfs/dbraw/zinc/58/39/27/1168583927.db2.gz	LSPTXMIURGNWGH-LLVKDONJSA-N	-1	0	305.290	0.289	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)cc1	ZINC001601097150	1168584729	/nfs/dbraw/zinc/58/47/29/1168584729.db2.gz	YSYMBPXTXFRWQC-GDBMZVCRSA-N	-1	0	318.329	0.732	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(F)c1	ZINC001601100203	1168585716	/nfs/dbraw/zinc/58/57/16/1168585716.db2.gz	KBYJDNRNXWJRKS-XYPYZODXSA-N	-1	0	319.292	0.293	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCCC2)nc1	ZINC001601107411	1168586526	/nfs/dbraw/zinc/58/65/26/1168586526.db2.gz	ZZGUFVYLPJOSRT-UHFFFAOYSA-N	-1	0	316.317	0.653	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)C2	ZINC001601114388	1168587226	/nfs/dbraw/zinc/58/72/26/1168587226.db2.gz	RXNYJUHUJZTBNR-KGLIPLIRSA-N	-1	0	315.329	0.520	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)CN2CCOCC2=O)C(=O)[O-])c1	ZINC001601117070	1168587449	/nfs/dbraw/zinc/58/74/49/1168587449.db2.gz	BRYWAWKAIMJPTN-AWEZNQCLSA-N	-1	0	318.285	0.086	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)[C@@H]2CCNC(=O)C2)C(=O)[O-])c1	ZINC001601119024	1168587632	/nfs/dbraw/zinc/58/76/32/1168587632.db2.gz	TUIIRHJPBVNWKE-DGCLKSJQSA-N	-1	0	302.286	0.753	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c1	ZINC001601121796	1168588222	/nfs/dbraw/zinc/58/82/22/1168588222.db2.gz	UZESXLHHYYHMPJ-OAHLLOKOSA-N	-1	0	318.329	0.621	20	30		DCEDRM
N#Cc1ccncc1C(=O)N[C@@H](Cc1cncs1)C(=O)[O-]	ZINC001601128222	1168589636	/nfs/dbraw/zinc/58/96/36/1168589636.db2.gz	GECALSXQUJKHNV-NSHDSACASA-N	-1	0	302.315	0.835	20	30		DCEDRM
N#Cc1cn(CCc2cn(CC(=O)[O-])nn2)c(=O)c2ccccc12	ZINC001601128752	1168590032	/nfs/dbraw/zinc/59/00/32/1168590032.db2.gz	CLLQLOPIVHIYQJ-UHFFFAOYSA-N	-1	0	323.312	0.792	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)Nc2ccc(CC(=O)[O-])cc2)n1	ZINC001601136134	1168595056	/nfs/dbraw/zinc/59/50/56/1168595056.db2.gz	HTOKBUOEJJBNFK-UHFFFAOYSA-N	-1	0	314.305	0.599	20	30		DCEDRM
O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CCCN(O)C1=O	ZINC001601292162	1168693582	/nfs/dbraw/zinc/69/35/82/1168693582.db2.gz	LIERLSLWQVTGEH-GFCCVEGCSA-N	-1	0	306.318	0.814	20	30		DCEDRM
O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1	ZINC001601776053	1168874779	/nfs/dbraw/zinc/87/47/79/1168874779.db2.gz	RHVDNJADFSFHER-CRWXNKLISA-N	-1	0	316.357	0.322	20	30		DCEDRM
O=C([O-])c1c(F)ccc(S(=O)(=O)O[C@H]2CNOC2)c1F	ZINC001602228866	1169037088	/nfs/dbraw/zinc/03/70/88/1169037088.db2.gz	VHRATKFQBGKLOE-YFKPBYRVSA-N	-1	0	309.246	0.272	20	30		DCEDRM
O=C([O-])c1ccc(C=NNC(=S)NC[C@H]2CCCO2)nc1	ZINC001602331301	1169060088	/nfs/dbraw/zinc/06/00/88/1169060088.db2.gz	ZRZYKULHHYZAPV-LLVKDONJSA-N	-1	0	308.363	0.757	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001602683283	1169158560	/nfs/dbraw/zinc/15/85/60/1169158560.db2.gz	NKAGAIGBCMHICQ-NSHDSACASA-N	-1	0	320.345	0.921	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1c(C)[nH]nc1Br)C(=O)[O-]	ZINC001602692784	1169161766	/nfs/dbraw/zinc/16/17/66/1169161766.db2.gz	SJNICCDEWFUTSU-ZCFIWIBFSA-N	-1	0	300.112	0.687	20	30		DCEDRM
C#CC[C@H](NC(=O)Cn1cnc2c(C)cccc2c1=O)C(=O)[O-]	ZINC001602691824	1169162180	/nfs/dbraw/zinc/16/21/80/1169162180.db2.gz	AVGKURSMYZKDJY-LBPRGKRZSA-N	-1	0	313.313	0.298	20	30		DCEDRM
C#CCCCCNC(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001602705216	1169165656	/nfs/dbraw/zinc/16/56/56/1169165656.db2.gz	JPIQHUNTJMGSFF-XQHKEYJVSA-N	-1	0	306.362	0.522	20	30		DCEDRM
C#CCCOc1ccc(C(=O)N(CC(=O)[O-])CC(=O)OC)cc1	ZINC001602707995	1169166028	/nfs/dbraw/zinc/16/60/28/1169166028.db2.gz	BUMGAJBWEFKWTR-UHFFFAOYSA-N	-1	0	319.313	0.789	20	30		DCEDRM
C#CCN1CCC[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)C1	ZINC001602720054	1169170753	/nfs/dbraw/zinc/17/07/53/1169170753.db2.gz	JKDGYPNJWLRVPI-GFCCVEGCSA-N	-1	0	314.407	0.258	20	30		DCEDRM
C#CCNC(=O)CN1CCN([C@H](C(=O)[O-])c2ccsc2)CC1	ZINC001602725261	1169172555	/nfs/dbraw/zinc/17/25/55/1169172555.db2.gz	SSEFVNVAGDMWLB-AWEZNQCLSA-N	-1	0	321.402	0.241	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1	ZINC001602728460	1169175073	/nfs/dbraw/zinc/17/50/73/1169175073.db2.gz	ZFKLMHLHQMVSFV-YFKPBYRVSA-N	-1	0	312.742	0.953	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001602726439	1169175153	/nfs/dbraw/zinc/17/51/53/1169175153.db2.gz	PXQXUHRYIMEGRK-VHSXEESVSA-N	-1	0	306.322	0.130	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N2CCC[C@@]2(COC)C(=O)[O-])cc1	ZINC001602738493	1169176772	/nfs/dbraw/zinc/17/67/72/1169176772.db2.gz	CJSPLSZNBFIMLA-OAHLLOKOSA-N	-1	0	323.370	0.922	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N[C@H](CC1OCCO1)C(=O)[O-])OCC	ZINC001602747534	1169177490	/nfs/dbraw/zinc/17/74/90/1169177490.db2.gz	UQXFIGAKKZKCBT-MNOVXSKESA-N	-1	0	301.339	0.690	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001602755606	1169179722	/nfs/dbraw/zinc/17/97/22/1169179722.db2.gz	YTMUDAAGPZQOQG-JTQLQIEISA-N	-1	0	320.349	0.937	20	30		DCEDRM
C=C(C)Cn1c([C@@H](C)CO)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001602766144	1169180735	/nfs/dbraw/zinc/18/07/35/1169180735.db2.gz	WITZZBMLELRFJJ-NWDGAFQWSA-N	-1	0	324.381	0.630	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001602764849	1169181335	/nfs/dbraw/zinc/18/13/35/1169181335.db2.gz	UFMHPBLWLJPEEK-ZJUUUORDSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=C(C)Cn1c([C@@H](C)CO)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001602765733	1169181429	/nfs/dbraw/zinc/18/14/29/1169181429.db2.gz	HXYNRTDTLBRUSM-NHYWBVRUSA-N	-1	0	324.381	0.630	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001602764931	1169181431	/nfs/dbraw/zinc/18/14/31/1169181431.db2.gz	YFZOSICKQQNUFC-ZJUUUORDSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@](C)(Cn1cccn1)C(=O)OC	ZINC001602778277	1169182636	/nfs/dbraw/zinc/18/26/36/1169182636.db2.gz	MZPJMKGXJNNHDX-AWEZNQCLSA-N	-1	0	309.322	0.352	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC001602787809	1169182974	/nfs/dbraw/zinc/18/29/74/1169182974.db2.gz	SLNIKIXVGKBLHQ-AWEZNQCLSA-N	-1	0	309.322	0.352	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)C1	ZINC001602791468	1169184397	/nfs/dbraw/zinc/18/43/97/1169184397.db2.gz	QQYFTFSJSIDYLS-NWDGAFQWSA-N	-1	0	306.362	0.733	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OCC	ZINC001602841740	1169189844	/nfs/dbraw/zinc/18/98/44/1169189844.db2.gz	FCDRYLHBKXZLFI-QMMMGPOBSA-N	-1	0	317.319	0.764	20	30		DCEDRM
C=CCC(C)(C)Cn1nnnc1N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001602836339	1169191248	/nfs/dbraw/zinc/19/12/48/1169191248.db2.gz	NKJFWPRYGXYICY-GFCCVEGCSA-N	-1	0	323.397	0.937	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001602842548	1169191951	/nfs/dbraw/zinc/19/19/51/1169191951.db2.gz	KLHWYEWKBXGJLQ-SRVKXCTJSA-N	-1	0	305.396	0.734	20	30		DCEDRM
C=CC[C@@H](OC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)[O-]	ZINC001602845760	1169192392	/nfs/dbraw/zinc/19/23/92/1169192392.db2.gz	WELHVJALWNJHTG-DTWKUNHWSA-N	-1	0	311.256	0.822	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC001602842213	1169192521	/nfs/dbraw/zinc/19/25/21/1169192521.db2.gz	GNOFNHNTPVFGRC-ZETCQYMHSA-N	-1	0	320.754	0.649	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CC(=O)N(CCOC)C1)C(=O)[O-]	ZINC001602862625	1169194638	/nfs/dbraw/zinc/19/46/38/1169194638.db2.gz	GVLOWKFYNAVXQX-RYUDHWBXSA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001602887899	1169201049	/nfs/dbraw/zinc/20/10/49/1169201049.db2.gz	XVUSFFGDHVGNBF-STQMWFEESA-N	-1	0	324.377	0.525	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1cccc(OCC)n1)C(=O)[O-]	ZINC001602908622	1169201738	/nfs/dbraw/zinc/20/17/38/1169201738.db2.gz	AEOCGBSRMCCPOU-LBPRGKRZSA-N	-1	0	308.334	0.795	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)Nc1ccc(OCC(=O)[O-])cc1	ZINC001602902211	1169202210	/nfs/dbraw/zinc/20/22/10/1169202210.db2.gz	UCIOIPXDZXKGGX-JTQLQIEISA-N	-1	0	321.333	0.962	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cnc(OC)s1)C(=O)[O-]	ZINC001602915157	1169203907	/nfs/dbraw/zinc/20/39/07/1169203907.db2.gz	FGMSFCWAJKBJPK-ZETCQYMHSA-N	-1	0	322.364	0.086	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)CC=C(Cl)Cl)C(=O)[O-]	ZINC001602915528	1169203947	/nfs/dbraw/zinc/20/39/47/1169203947.db2.gz	XJSSCMCVWYRZQI-ZETCQYMHSA-N	-1	0	318.178	0.881	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc2c1NC(=O)CO2)C(=O)[O-]	ZINC001602913483	1169204516	/nfs/dbraw/zinc/20/45/16/1169204516.db2.gz	RVWKBOJDVJWUSU-JTQLQIEISA-N	-1	0	320.301	0.403	20	30		DCEDRM
C=CCOCCCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001602915678	1169204980	/nfs/dbraw/zinc/20/49/80/1169204980.db2.gz	RLLOAOOQCWHGNE-NEPJUHHUSA-N	-1	0	313.350	0.834	20	30		DCEDRM
C=CCn1nnnc1SCC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC001602940957	1169213898	/nfs/dbraw/zinc/21/38/98/1169213898.db2.gz	UZPORLJKMAHJLJ-SECBINFHSA-N	-1	0	313.383	0.567	20	30		DCEDRM
C[C@H](C#N)CN(C(=O)Cc1ccc(-c2nn[nH]n2)nc1)C1CC1	ZINC001602983656	1169223043	/nfs/dbraw/zinc/22/30/43/1169223043.db2.gz	LOUMHPXRENTGCT-SNVBAGLBSA-N	-1	0	311.349	0.955	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001603129480	1169250845	/nfs/dbraw/zinc/25/08/45/1169250845.db2.gz	IKQVSBKWHPJPEK-SNVBAGLBSA-N	-1	0	303.322	0.373	20	30		DCEDRM
C[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccc(O)c1)n1cnc(C#N)n1	ZINC001603153658	1169256423	/nfs/dbraw/zinc/25/64/23/1169256423.db2.gz	ODNNPMPQQJMJPL-UFBFGSQYSA-N	-1	0	315.289	0.358	20	30		DCEDRM
C[C@H](C(=O)NCC(=O)[O-])N1CCN(c2ccc(C#N)cc2)CC1	ZINC001603161479	1169262095	/nfs/dbraw/zinc/26/20/95/1169262095.db2.gz	QVNVVKSFQNMKAR-GFCCVEGCSA-N	-1	0	316.361	0.270	20	30		DCEDRM
C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC(O)(CC#N)C1	ZINC001603167788	1169265432	/nfs/dbraw/zinc/26/54/32/1169265432.db2.gz	WRNNRIZSHVSQSK-NSHDSACASA-N	-1	0	317.345	0.350	20	30		DCEDRM
CC(C)c1nnc(Cn2cnc(-c3nnn[n-]3)c2C#N)s1	ZINC001603418759	1169306779	/nfs/dbraw/zinc/30/67/79/1169306779.db2.gz	QCGIBYPHZSKIEA-UHFFFAOYSA-N	-1	0	301.339	0.958	20	30		DCEDRM
CC(C)C#CC(=O)NC/C=C\CNc1ncc(C(=O)[O-])cn1	ZINC001603700264	1169364354	/nfs/dbraw/zinc/36/43/54/1169364354.db2.gz	PBNGDJQXGSSUHB-ARJAWSKDSA-N	-1	0	302.334	0.919	20	30		DCEDRM
CC(C)C#CC(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CCC1	ZINC001603700091	1169365619	/nfs/dbraw/zinc/36/56/19/1169365619.db2.gz	KTGUFLVXHKNSOM-UHFFFAOYSA-N	-1	0	316.361	0.707	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1cnccc1C#N)C(=O)[O-]	ZINC001603841927	1169410302	/nfs/dbraw/zinc/41/03/02/1169410302.db2.gz	QWPSOPOIFDGFCV-LBPRGKRZSA-N	-1	0	318.333	0.299	20	30		DCEDRM
C[C@@H](CNC(=O)CSCC#N)Nc1ncc(C(=O)[O-])cn1	ZINC001604174681	1169513414	/nfs/dbraw/zinc/51/34/14/1169513414.db2.gz	UMMSQAXOMLASEL-QMMMGPOBSA-N	-1	0	309.351	0.348	20	30		DCEDRM
CC1(C)OC[C@H](CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)O1	ZINC001604561121	1169617242	/nfs/dbraw/zinc/61/72/42/1169617242.db2.gz	ZIKSATXCJXVBEH-JTQLQIEISA-N	-1	0	311.338	0.538	20	30		DCEDRM
C[C@]1(CCC(=O)[O-])NC(=O)N(CN(CCC#N)CC2CC2)C1=O	ZINC001604571873	1169621172	/nfs/dbraw/zinc/62/11/72/1169621172.db2.gz	OFKGVBCPXBQSMC-OAHLLOKOSA-N	-1	0	322.365	0.745	20	30		DCEDRM
C[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)CN1C(=O)C#CC1CC1	ZINC001604675968	1169652035	/nfs/dbraw/zinc/65/20/35/1169652035.db2.gz	CYRQXKZISNOEMG-JQWIXIFHSA-N	-1	0	314.345	0.411	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC001605438578	1169919916	/nfs/dbraw/zinc/91/99/16/1169919916.db2.gz	ADRUNIJNOLQEKX-LLVKDONJSA-N	-1	0	303.384	0.796	20	30		DCEDRM
C[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)C(=O)OC(C)(C)C	ZINC001605441832	1169921550	/nfs/dbraw/zinc/92/15/50/1169921550.db2.gz	JVJUTNQSEKALMJ-ZETCQYMHSA-N	-1	0	316.325	0.670	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC[C@](C)(C#N)C1	ZINC001605506618	1169941235	/nfs/dbraw/zinc/94/12/35/1169941235.db2.gz	HXVXHTYGXZDELI-CQSZACIVSA-N	-1	0	313.321	0.652	20	30		DCEDRM
Cc1cccc2nc(Cn3c(N)nc(-c4nnn[n-]4)c3C#N)cn21	ZINC001605930307	1170029254	/nfs/dbraw/zinc/02/92/54/1170029254.db2.gz	XZCXCFAGASARFK-UHFFFAOYSA-N	-1	0	320.320	0.522	20	30		DCEDRM
CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CCN(C(=O)C#CC2CC2)CC1	ZINC001605957540	1170036420	/nfs/dbraw/zinc/03/64/20/1170036420.db2.gz	SIRHNAMKVHLQMC-KGLIPLIRSA-N	-1	0	318.373	0.570	20	30		DCEDRM
Cc1oc(-c2nn[nH]n2)cc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC001606165506	1170097043	/nfs/dbraw/zinc/09/70/43/1170097043.db2.gz	WGPWNTHOJDBQPC-SECBINFHSA-N	-1	0	302.294	0.615	20	30		DCEDRM
Cn1c(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)nc2ccccc21	ZINC001606217195	1170118958	/nfs/dbraw/zinc/11/89/58/1170118958.db2.gz	BTACQWHGCPRBHL-UHFFFAOYSA-N	-1	0	320.320	0.452	20	30		DCEDRM
N#CC1(CNC(=O)NCc2nc(-c3nn[nH]n3)cs2)CCC1	ZINC001606344126	1170163642	/nfs/dbraw/zinc/16/36/42/1170163642.db2.gz	YDGPUIOXADQOGD-UHFFFAOYSA-N	-1	0	318.366	0.816	20	30		DCEDRM
N#Cc1ccc(Cn2cncc(-c3nnn[n-]3)c2=O)c([N+](=O)[O-])c1	ZINC001606368911	1170171502	/nfs/dbraw/zinc/17/15/02/1170171502.db2.gz	LCJFAAUTWJWCLD-UHFFFAOYSA-N	-1	0	324.260	0.252	20	30		DCEDRM
N#Cc1ncc(N2CC[C@H]2[C@@H]2CCCOC2)nc1-c1nnn[n-]1	ZINC001606396922	1170183564	/nfs/dbraw/zinc/18/35/64/1170183564.db2.gz	BRZWDNMQANWQFL-KOLCDFICSA-N	-1	0	312.337	0.534	20	30		DCEDRM
N#Cc1ncc(N2CC[C@H](c3ccncc3)C2)nc1-c1nnn[n-]1	ZINC001606397469	1170183844	/nfs/dbraw/zinc/18/38/44/1170183844.db2.gz	QJHSMEIDSGRRFH-NSHDSACASA-N	-1	0	319.332	0.917	20	30		DCEDRM
COC(=O)CC[C@@H](NC(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC001606458567	1170212889	/nfs/dbraw/zinc/21/28/89/1170212889.db2.gz	PAVUZTNHYSADKP-LLVKDONJSA-N	-1	0	305.290	0.018	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cccc(C(=O)[O-])c1C#N	ZINC001606511636	1170224537	/nfs/dbraw/zinc/22/45/37/1170224537.db2.gz	RJTIZZZHCOEJFR-MFKMUULPSA-N	-1	0	304.302	0.365	20	30		DCEDRM
COC1(OC)CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H]1O	ZINC001606723464	1170272622	/nfs/dbraw/zinc/27/26/22/1170272622.db2.gz	QEDXBFBEQUAIFW-KBPBESRZSA-N	-1	0	320.345	0.740	20	30		DCEDRM
COCC[C@](C)(C#N)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001606851085	1170314534	/nfs/dbraw/zinc/31/45/34/1170314534.db2.gz	BMCMNNMMNARQOW-SNVBAGLBSA-N	-1	0	319.364	0.438	20	30		DCEDRM
COc1cc(NC(=O)NCCOCC(=O)[O-])c(F)cc1C#N	ZINC001607178780	1170412455	/nfs/dbraw/zinc/41/24/55/1170412455.db2.gz	VKQUBKATMXRFEO-UHFFFAOYSA-N	-1	0	311.269	0.929	20	30		DCEDRM
COc1ncc(NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1C#N	ZINC001607359080	1170436169	/nfs/dbraw/zinc/43/61/69/1170436169.db2.gz	XPJXSSPNIQQYPW-KCJUWKMLSA-N	-1	0	320.305	0.668	20	30		DCEDRM
Cc1c(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cnn1CCC#N	ZINC001607510494	1170470585	/nfs/dbraw/zinc/47/05/85/1170470585.db2.gz	RXOWKHVYYKCYCC-UHFFFAOYSA-N	-1	0	303.282	0.103	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-]	ZINC001607565319	1170477921	/nfs/dbraw/zinc/47/79/21/1170477921.db2.gz	FVYPORWWNWXKTN-LBPRGKRZSA-N	-1	0	301.302	0.234	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCO[C@H](C#N)C2)oc1C(=O)[O-]	ZINC001607703025	1170498113	/nfs/dbraw/zinc/49/81/13/1170498113.db2.gz	SAJYKQBZBLIKJD-MRVPVSSYSA-N	-1	0	300.292	0.199	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)NCC(F)(F)C(=O)[O-]	ZINC001607838562	1170511433	/nfs/dbraw/zinc/51/14/33/1170511433.db2.gz	OBELPFUQQSSWMN-UHFFFAOYSA-N	-1	0	304.274	0.865	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1	ZINC001608174569	1170609011	/nfs/dbraw/zinc/60/90/11/1170609011.db2.gz	RHLZZBPSGAPDQT-SNVBAGLBSA-N	-1	0	302.352	0.043	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]3C[C@@H]3C2)CC1	ZINC001608171770	1170609042	/nfs/dbraw/zinc/60/90/42/1170609042.db2.gz	HJTMXJJIIXBSGC-GHMZBOCLSA-N	-1	0	305.334	0.072	20	30		DCEDRM
N#CC1(NC(=O)CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)CCC1	ZINC001608177063	1170610188	/nfs/dbraw/zinc/61/01/88/1170610188.db2.gz	KWOKKRHCTKIUNN-GFCCVEGCSA-N	-1	0	319.283	0.888	20	30		DCEDRM
N#CC[C@@H](NC(=O)NC[C@]1(C(=O)[O-])CCOC1)C(F)(F)F	ZINC001608178947	1170610290	/nfs/dbraw/zinc/61/02/90/1170610290.db2.gz	UAZZQRGJMIPKDP-GMSGAONNSA-N	-1	0	309.244	0.621	20	30		DCEDRM
N#CCCCNC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001608181206	1170610907	/nfs/dbraw/zinc/61/09/07/1170610907.db2.gz	DSBKNCWLZDAOBU-SNVBAGLBSA-N	-1	0	306.326	0.627	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1	ZINC001608188920	1170612393	/nfs/dbraw/zinc/61/23/93/1170612393.db2.gz	QCAAPUFBAKLPKA-CHWSQXEVSA-N	-1	0	318.329	0.425	20	30		DCEDRM
N#CCc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1	ZINC001608189921	1170612973	/nfs/dbraw/zinc/61/29/73/1170612973.db2.gz	UJYVIBYOBGDQKO-CYBMUJFWSA-N	-1	0	315.329	0.558	20	30		DCEDRM
N#CCc1cccc(NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)n1	ZINC001608189601	1170613003	/nfs/dbraw/zinc/61/30/03/1170613003.db2.gz	BCPWBMZPWCEXLV-CYBMUJFWSA-N	-1	0	318.333	0.837	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c(F)c1	ZINC001608199118	1170613687	/nfs/dbraw/zinc/61/36/87/1170613687.db2.gz	SKYQUYGYLQOVTL-GFCCVEGCSA-N	-1	0	319.292	0.503	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC001608205613	1170614566	/nfs/dbraw/zinc/61/45/66/1170614566.db2.gz	IWEUQSIXGFTYRB-AWEZNQCLSA-N	-1	0	324.358	0.469	20	30		DCEDRM
N#Cc1ccc(CNC(=O)COCc2ocnc2C(=O)[O-])nc1	ZINC001608204856	1170615442	/nfs/dbraw/zinc/61/54/42/1170615442.db2.gz	MLMVLQOEMUZWBX-UHFFFAOYSA-N	-1	0	316.273	0.472	20	30		DCEDRM
N#Cc1cccnc1N1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001608221910	1170618503	/nfs/dbraw/zinc/61/85/03/1170618503.db2.gz	ZINWNSNZSHESRY-CHWSQXEVSA-N	-1	0	314.345	0.713	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)c1cc(C(=O)[O-])ccn1	ZINC001608221457	1170618658	/nfs/dbraw/zinc/61/86/58/1170618658.db2.gz	HPKGLDWQDZYUJO-UHFFFAOYSA-N	-1	0	311.301	0.888	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)Nc2cc(C(=O)[O-])cs2)n1	ZINC001608225618	1170619230	/nfs/dbraw/zinc/61/92/30/1170619230.db2.gz	VKENTXZEWANPOE-UHFFFAOYSA-N	-1	0	306.307	0.731	20	30		DCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)OCC(=O)C1(C(=O)[O-])CC1	ZINC001608277430	1170640987	/nfs/dbraw/zinc/64/09/87/1170640987.db2.gz	JVSFTEPFNINQSX-UHFFFAOYSA-N	-1	0	316.265	0.744	20	30		DCEDRM
C#CCN(CC1CC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001609021005	1170785910	/nfs/dbraw/zinc/78/59/10/1170785910.db2.gz	XQOPUCHZYZTGMZ-UHFFFAOYSA-N	-1	0	318.362	0.296	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)s1	ZINC001609020584	1170786464	/nfs/dbraw/zinc/78/64/64/1170786464.db2.gz	UYKZLTGNMSMZTQ-UHFFFAOYSA-N	-1	0	311.348	0.011	20	30		DCEDRM
O=C([O-])[C@@]1(C(=O)N[C@@H]2CCCN(O)C2=O)C[C@@H]1c1ccccc1	ZINC001609030903	1170788263	/nfs/dbraw/zinc/78/82/63/1170788263.db2.gz	HKVYYHAZAUHTAY-HSMVNMDESA-N	-1	0	318.329	0.741	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001609054737	1170794243	/nfs/dbraw/zinc/79/42/43/1170794243.db2.gz	QDKZUZYRPFIRBG-MRVPVSSYSA-N	-1	0	318.285	0.532	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC001609058417	1170794362	/nfs/dbraw/zinc/79/43/62/1170794362.db2.gz	YZBCTGPTCFAOJA-RYUDHWBXSA-N	-1	0	310.331	0.239	20	30		DCEDRM
C[C@H](C(=O)N(C)c1ccc(C#N)cc1)n1cnc(-c2nnn[n-]2)n1	ZINC001609067656	1170796957	/nfs/dbraw/zinc/79/69/57/1170796957.db2.gz	BGNREOYSDIQHCK-SECBINFHSA-N	-1	0	323.320	0.554	20	30		DCEDRM
C[C@@H](C(=O)N(C)c1ccc(C#N)cc1)n1cnc(-c2nnn[n-]2)n1	ZINC001609067657	1170797648	/nfs/dbraw/zinc/79/76/48/1170797648.db2.gz	BGNREOYSDIQHCK-VIFPVBQESA-N	-1	0	323.320	0.554	20	30		DCEDRM
C#CCC(C)(C)C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC001609076526	1170800504	/nfs/dbraw/zinc/80/05/04/1170800504.db2.gz	PBQZOJFPDQOENJ-UHFFFAOYSA-N	-1	0	316.361	0.873	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cnc2c(cnn2C)c1OC)C(=O)[O-]	ZINC001609089376	1170804178	/nfs/dbraw/zinc/80/41/78/1170804178.db2.gz	LSBPPLMVYUWWNC-SNVBAGLBSA-N	-1	0	302.290	0.183	20	30		DCEDRM
C#CCN(C(=O)c1ccc(C(=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1	ZINC001609137245	1170823019	/nfs/dbraw/zinc/82/30/19/1170823019.db2.gz	HLRJRAADISBGMI-SECBINFHSA-N	-1	0	311.315	0.240	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)Cn1cccc(-c2nnn[n-]2)c1=O	ZINC001609280247	1170908582	/nfs/dbraw/zinc/90/85/82/1170908582.db2.gz	KWIUHKWRRHZYMX-UHFFFAOYSA-N	-1	0	321.344	0.990	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001609290773	1170915741	/nfs/dbraw/zinc/91/57/41/1170915741.db2.gz	XDXFKFPQTAKIFG-VIFPVBQESA-N	-1	0	309.322	0.261	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)N1CCc2cccc(C(=O)[O-])c2C1	ZINC001609345996	1170946368	/nfs/dbraw/zinc/94/63/68/1170946368.db2.gz	VOANCCKXKZITJF-UHFFFAOYSA-N	-1	0	302.330	0.914	20	30		DCEDRM
C=CCN(CC=C)C(=O)Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O	ZINC001609356747	1170949604	/nfs/dbraw/zinc/94/96/04/1170949604.db2.gz	GGUOMXTZVTYVEY-UHFFFAOYSA-N	-1	0	321.289	0.655	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(-n2ccnc2)nn1)C(=O)[O-]	ZINC001609442711	1170979638	/nfs/dbraw/zinc/97/96/38/1170979638.db2.gz	CDQXQKOTAAXGNR-LLVKDONJSA-N	-1	0	317.305	0.048	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1ccoc1CC(=O)[O-]	ZINC001609461648	1170988308	/nfs/dbraw/zinc/98/83/08/1170988308.db2.gz	GPZZJMDTRKFELW-UHFFFAOYSA-N	-1	0	301.320	0.237	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC001609489017	1170995311	/nfs/dbraw/zinc/99/53/11/1170995311.db2.gz	RLAGNWFCRXKZSY-UHFFFAOYSA-N	-1	0	306.293	0.873	20	30		DCEDRM
CC[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC001609919176	1171121896	/nfs/dbraw/zinc/12/18/96/1171121896.db2.gz	PHZNWIGERBLVME-QMMMGPOBSA-N	-1	0	307.281	0.863	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001609993983	1171133762	/nfs/dbraw/zinc/13/37/62/1171133762.db2.gz	PVNFFMRUVYXLDC-ISAOAKOHSA-N	-1	0	308.334	0.793	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)c1cccc(C(=O)[O-])n1	ZINC001610000299	1171134896	/nfs/dbraw/zinc/13/48/96/1171134896.db2.gz	MZNGDSWYRSXRQG-UHFFFAOYSA-N	-1	0	305.290	0.699	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1	ZINC001610277778	1171214669	/nfs/dbraw/zinc/21/46/69/1171214669.db2.gz	QKHHSIGFECWYOG-GFCCVEGCSA-N	-1	0	319.317	0.082	20	30		DCEDRM
CSC[C@@](C)(C#N)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001610380902	1171228456	/nfs/dbraw/zinc/22/84/56/1171228456.db2.gz	BIKMLKDYCMVDEI-SECBINFHSA-N	-1	0	321.405	0.765	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2cccc(OCC(=O)[O-])c2)C1	ZINC001610620288	1171270254	/nfs/dbraw/zinc/27/02/54/1171270254.db2.gz	DGTHPZDIBKMZAI-OAHLLOKOSA-N	-1	0	304.302	0.641	20	30		DCEDRM
N#CCOc1ccccc1C(=O)OCC(=O)NCCC(=O)[O-]	ZINC001610623077	1171271380	/nfs/dbraw/zinc/27/13/80/1171271380.db2.gz	HHPYPYHXYHJXOC-UHFFFAOYSA-N	-1	0	306.274	0.337	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1	ZINC001610629029	1171272967	/nfs/dbraw/zinc/27/29/67/1171272967.db2.gz	DTGPCBNZYREABS-OAHLLOKOSA-N	-1	0	318.329	0.621	20	30		DCEDRM
N#Cc1ncn(CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])n1	ZINC001610635655	1171274805	/nfs/dbraw/zinc/27/48/05/1171274805.db2.gz	DQKLQMOPLFGBIP-UHFFFAOYSA-N	-1	0	316.277	0.797	20	30		DCEDRM
C=CCn1cc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])nn1	ZINC001622265490	1171421417	/nfs/dbraw/zinc/42/14/17/1171421417.db2.gz	VOJJFOUUYQQFMJ-UHFFFAOYSA-N	-1	0	324.322	0.246	20	30		DCEDRM
CCCCO[C@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001633550441	1171646864	/nfs/dbraw/zinc/64/68/64/1171646864.db2.gz	QXVRUHLXRAFQIO-SNVBAGLBSA-N	-1	0	308.338	0.142	20	30		DCEDRM
CC(=C([O-])n1ncc(C#N)c1N)S(=O)(=O)c1ccc(F)cc1	ZINC001634236326	1171667675	/nfs/dbraw/zinc/66/76/75/1171667675.db2.gz	PTYQSYNOWUJOJS-QMMMGPOBSA-N	-1	0	322.321	0.979	20	30		DCEDRM
CN(C)S(=O)(=O)[N-]C(=O)COc1cccc([N+](=O)[O-])c1	ZINC000048868810	1171675042	/nfs/dbraw/zinc/67/50/42/1171675042.db2.gz	LZCMWKFFFPORIF-UHFFFAOYSA-N	-1	0	303.296	0.737	20	30		DCEDRM
C=CCOCCCNC(=O)NCc1nc2c(c(=O)[nH]1)COCC2	ZINC001636994312	1171754423	/nfs/dbraw/zinc/75/44/23/1171754423.db2.gz	WUGFFJCFGKQCRJ-UHFFFAOYSA-N	-1	0	322.365	0.647	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-]	ZINC001641575144	1171920313	/nfs/dbraw/zinc/92/03/13/1171920313.db2.gz	XDLXVOQABOOMGY-JTQLQIEISA-N	-1	0	303.293	0.749	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C=Cc2ccco2)c(=O)[n-]c1=O	ZINC001641967479	1171935007	/nfs/dbraw/zinc/93/50/07/1171935007.db2.gz	AVRVSJKBRBUHPO-ARJAWSKDSA-N	-1	0	300.274	0.243	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2nc(-c3cccs3)no2)c1=O	ZINC001644021900	1171993699	/nfs/dbraw/zinc/99/36/99/1171993699.db2.gz	JHYBBFRVLZCYSA-UHFFFAOYSA-N	-1	0	301.287	0.568	20	30		DCEDRM
Cn1ncc2c1N(Cc1ccc(C#N)s1)S(=O)(=O)C=C2[O-]	ZINC001647542317	1172960550	/nfs/dbraw/zinc/96/05/50/1172960550.db2.gz	ACFKSXJKHPVDGN-UHFFFAOYSA-N	-1	0	322.371	0.886	20	30		DCEDRM
CO[C@]1(C)C[C@H](N(C)c2[n-]c(=O)n(C)c(=O)c2C#N)C1(C)C	ZINC001647632062	1173007950	/nfs/dbraw/zinc/00/79/50/1173007950.db2.gz	SUJXXMLBBJUUKF-ZUZCIYMTSA-N	-1	0	306.366	0.585	20	30		DCEDRM
CC1(C#N)CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC001649747444	1173197672	/nfs/dbraw/zinc/19/76/72/1173197672.db2.gz	VTAPEJAPNDRPKW-UHFFFAOYSA-N	-1	0	300.322	0.223	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@]2(CO)CCOC2)cc1C#N	ZINC001649751630	1173200488	/nfs/dbraw/zinc/20/04/88/1173200488.db2.gz	ZFPGAYJFQRSJIY-CYBMUJFWSA-N	-1	0	309.347	0.262	20	30		DCEDRM
Cn1ccnc1[C@H]1N(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1(C)C	ZINC001650226940	1173523846	/nfs/dbraw/zinc/52/38/46/1173523846.db2.gz	DOCVVSLFTPGEKS-SNVBAGLBSA-N	-1	0	314.349	0.266	20	30		DCEDRM
N#C[C@@]1(F)CCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC001654979748	1173814068	/nfs/dbraw/zinc/81/40/68/1173814068.db2.gz	QARLHUZHGOSOCM-NSHDSACASA-N	-1	0	315.282	0.927	20	30		DCEDRM
N#CCNC[C@@H]1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001700901761	1178797268	/nfs/dbraw/zinc/79/72/68/1178797268.db2.gz	ADBPAMKZNNATFQ-MNOVXSKESA-N	-1	0	314.349	0.034	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H](CC)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001704636993	1180098679	/nfs/dbraw/zinc/09/86/79/1180098679.db2.gz	AYGMCXJKAOZTJD-LLVKDONJSA-N	-1	0	306.366	0.852	20	30		DCEDRM
CN(C(=O)C#CC(C)(C)C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001713779189	1181062503	/nfs/dbraw/zinc/06/25/03/1181062503.db2.gz	PCBZMECAXFOEHL-UHFFFAOYSA-N	-1	0	319.409	0.983	20	30		DCEDRM
C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001714152174	1181264972	/nfs/dbraw/zinc/26/49/72/1181264972.db2.gz	UJGZVEIRLUXZLP-YPMHNXCESA-N	-1	0	317.393	0.640	20	30		DCEDRM
C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001714152172	1181265726	/nfs/dbraw/zinc/26/57/26/1181265726.db2.gz	UJGZVEIRLUXZLP-DGCLKSJQSA-N	-1	0	317.393	0.640	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)nc1	ZINC001716501553	1182416263	/nfs/dbraw/zinc/41/62/63/1182416263.db2.gz	UNXGGEHTYZMYOR-SNVBAGLBSA-N	-1	0	314.349	0.137	20	30		DCEDRM
C=CCOCC(=O)NCC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001721005366	1183796434	/nfs/dbraw/zinc/79/64/34/1183796434.db2.gz	QHPDAPVAHOLARN-SECBINFHSA-N	-1	0	310.354	0.251	20	30		DCEDRM
C=CCCC(=O)N[C@H](C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001726090429	1185092369	/nfs/dbraw/zinc/09/23/69/1185092369.db2.gz	QRAVUOIDBDUKBV-SECBINFHSA-N	-1	0	306.366	0.967	20	30		DCEDRM
CC(C)C#CC(=O)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001733294284	1186215698	/nfs/dbraw/zinc/21/56/98/1186215698.db2.gz	HMEGLAQAKJHSBI-INIZCTEOSA-N	-1	0	317.393	0.594	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O	ZINC001735928811	1186958115	/nfs/dbraw/zinc/95/81/15/1186958115.db2.gz	ILKCCJDWHNGODF-MNOVXSKESA-N	-1	0	322.365	0.082	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1)OCC	ZINC001737455955	1187339938	/nfs/dbraw/zinc/33/99/38/1187339938.db2.gz	YNUBUCQKGCQYHY-GVXVVHGQSA-N	-1	0	321.381	0.553	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001738115952	1187477991	/nfs/dbraw/zinc/47/79/91/1187477991.db2.gz	OYRKTNQPWIAJRJ-ZUZCIYMTSA-N	-1	0	324.381	0.375	20	30		DCEDRM
C=CCCOCC(=O)N(C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001738825446	1187663305	/nfs/dbraw/zinc/66/33/05/1187663305.db2.gz	GLYOHKQNVXWZCN-SNVBAGLBSA-N	-1	0	324.381	0.593	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C#CC(C)C)[C@@H]2C)c1[O-]	ZINC001738922960	1187699915	/nfs/dbraw/zinc/69/99/15/1187699915.db2.gz	FDVRZRDZFQFOCA-NWDGAFQWSA-N	-1	0	318.377	0.802	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001739780970	1187842972	/nfs/dbraw/zinc/84/29/72/1187842972.db2.gz	JETQEBDWCCSNTO-LBPRGKRZSA-N	-1	0	318.377	0.900	20	30		DCEDRM
C=CCOCC(=O)NC[C@@]1(C)CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001754725541	1188912201	/nfs/dbraw/zinc/91/22/01/1188912201.db2.gz	ZCHZKYSOSJXNGK-OAHLLOKOSA-N	-1	0	323.397	0.431	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001758804736	1190002452	/nfs/dbraw/zinc/00/24/52/1190002452.db2.gz	BXLIWZDNKYTNGU-GFCCVEGCSA-N	-1	0	318.377	0.806	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)O[C@@H](C)c2nnnn2C)cc1C#N	ZINC001772125421	1190612327	/nfs/dbraw/zinc/61/23/27/1190612327.db2.gz	GNUITHFAKYCWQI-LURJTMIESA-N	-1	0	320.334	0.822	20	30		DCEDRM
Cn1[n-]nnc1=NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	ZINC001127465288	751405721	/nfs/dbraw/zinc/40/57/21/751405721.db2.gz	FNJAUALNJUMNCY-UHFFFAOYSA-N	-1	0	321.300	0.943	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNc2ccc(C#N)nn2)c1[O-]	ZINC001104529902	747688705	/nfs/dbraw/zinc/68/87/05/747688705.db2.gz	JKKGONJBUJDFLE-QMMMGPOBSA-N	-1	0	315.337	0.658	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cncc(OC)c1	ZINC001226100488	748794255	/nfs/dbraw/zinc/79/42/55/748794255.db2.gz	UBTYIHSPIQAKJK-LBPRGKRZSA-N	-1	0	303.336	0.928	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(CC)ncn1	ZINC001228290307	749412456	/nfs/dbraw/zinc/41/24/56/749412456.db2.gz	PMRUTPNNELTSTH-LLVKDONJSA-N	-1	0	302.352	0.877	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2(CNC(=O)[C@H](C)C#N)CCC2)c1[O-]	ZINC001064301931	755375680	/nfs/dbraw/zinc/37/56/80/755375680.db2.gz	AVSJDAVJLNSMQI-MRVPVSSYSA-N	-1	0	305.338	0.352	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001050000255	757262520	/nfs/dbraw/zinc/26/25/20/757262520.db2.gz	SVQQRZPBBREYBV-OUAUKWLOSA-N	-1	0	304.354	0.093	20	30		DCEDRM
N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3oc(=O)nc-3[n-]1)C2	ZINC001098212669	762634256	/nfs/dbraw/zinc/63/42/56/762634256.db2.gz	FABAMNUEOMGDBH-IEBDPFPHSA-N	-1	0	313.317	0.787	20	30		DCEDRM
C=C(Cl)CN1CC[C@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001085699346	759211539	/nfs/dbraw/zinc/21/15/39/759211539.db2.gz	LQTSUVBZLJNVBF-QMMMGPOBSA-N	-1	0	313.745	0.182	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889398	767863582	/nfs/dbraw/zinc/86/35/82/767863582.db2.gz	JCGZKAOAGWSAPB-GFCCVEGCSA-N	-1	0	314.301	0.351	20	30		DCEDRM
C#CCN1CC[C@]2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])C[C@@H](C)O2	ZINC001071156304	761664786	/nfs/dbraw/zinc/66/47/86/761664786.db2.gz	FQOQDQQNRKWJLB-BZNIZROVSA-N	-1	0	318.377	0.362	20	30		DCEDRM
CCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1ccnc(C#N)n1	ZINC001100503280	763617950	/nfs/dbraw/zinc/61/79/50/763617950.db2.gz	UYKUPCNZUHVGCP-UHFFFAOYSA-N	-1	0	315.337	0.342	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC1CC(NCC#N)C1	ZINC001101021847	763922470	/nfs/dbraw/zinc/92/24/70/763922470.db2.gz	MKHXTGBVHDYKSX-UHFFFAOYSA-N	-1	0	320.315	0.451	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001132001955	764182187	/nfs/dbraw/zinc/18/21/87/764182187.db2.gz	FYYKXHULXCHCJL-NEPJUHHUSA-N	-1	0	305.382	0.783	20	30		DCEDRM
Cc1cc(C#N)nc(NCCC[C@H](C)NC(=O)c2cn[nH]n2)n1	ZINC001115114596	765594707	/nfs/dbraw/zinc/59/47/07/765594707.db2.gz	KSLNSCCWOHZZTJ-VIFPVBQESA-N	-1	0	314.353	0.785	20	30		DCEDRM
C[C@H](CCCNc1cncc(C#N)n1)NC(=O)c1cn[nH]n1	ZINC001115114693	765594849	/nfs/dbraw/zinc/59/48/49/765594849.db2.gz	OHHFWMNSIQGRSQ-SECBINFHSA-N	-1	0	300.326	0.477	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC001119334540	766635108	/nfs/dbraw/zinc/63/51/08/766635108.db2.gz	XTQCZUFEPUPOMH-JHJVBQTASA-N	-1	0	324.377	0.407	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN1Cc1ccccn1)C(=O)[O-]	ZINC001119645711	766759636	/nfs/dbraw/zinc/75/96/36/766759636.db2.gz	VKAHBNHZAJSTMA-UONOGXRCSA-N	-1	0	301.346	0.639	20	30		DCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N1CC[C@]2(CCOC2)C1	ZINC001121626410	767608661	/nfs/dbraw/zinc/60/86/61/767608661.db2.gz	PRAWISOACBWEAA-AWEZNQCLSA-N	-1	0	316.369	0.185	20	30		DCEDRM
C=CC[C@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])C1	ZINC001121921479	767669055	/nfs/dbraw/zinc/66/90/55/767669055.db2.gz	RGWAVGYHRSLKBN-LBPRGKRZSA-N	-1	0	300.355	0.712	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(S(C)(=O)=O)cc1	ZINC001122625865	767845915	/nfs/dbraw/zinc/84/59/15/767845915.db2.gz	RPPGURGMALTOBU-GFCCVEGCSA-N	-1	0	306.343	0.715	20	30		DCEDRM
C=CCO[N-]C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21	ZINC001140875684	768552589	/nfs/dbraw/zinc/55/25/89/768552589.db2.gz	DBEQCCVDGDAWSB-UHFFFAOYSA-N	-1	0	309.347	0.301	20	30		DCEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1c([O-])c(=O)c(=O)c(=O)c1=O	ZINC001234378019	769641532	/nfs/dbraw/zinc/64/15/32/769641532.db2.gz	HGVDFXLIFKYPNQ-GUBZILKMSA-N	-1	0	306.314	0.468	20	30		DCEDRM
N#CCCN1CCN(C(=O)c2c[n-]c3cccnc3c2=O)CC1	ZINC001153856002	769964738	/nfs/dbraw/zinc/96/47/38/769964738.db2.gz	OIBNPLAXFBRARN-UHFFFAOYSA-N	-1	0	311.345	0.595	20	30		DCEDRM
COC(=O)c1cc(C#N)cc(NC(=O)Cn2nn[n-]c2=S)c1	ZINC001177741091	770540940	/nfs/dbraw/zinc/54/09/40/770540940.db2.gz	SNIZQFJVTXUPBD-UHFFFAOYSA-N	-1	0	318.318	0.259	20	30		DCEDRM
C#CCCN1CCC[C@@H](Nc2nccnc2CC(=O)[O-])C1=O	ZINC001160900030	772135887	/nfs/dbraw/zinc/13/58/87/772135887.db2.gz	SQECISYRGWRLJK-LLVKDONJSA-N	-1	0	302.334	0.530	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)c1cnoc1C	ZINC001187400823	772180375	/nfs/dbraw/zinc/18/03/75/772180375.db2.gz	JYAZZZBLMXBQFD-UHFFFAOYSA-N	-1	0	311.279	0.467	20	30		DCEDRM
Cc1cccn2cc(CCNc3[n-]c(=O)n(C)c(=O)c3C#N)nc12	ZINC001162669518	772404326	/nfs/dbraw/zinc/40/43/26/772404326.db2.gz	KBXCAUNDGVETAF-UHFFFAOYSA-N	-1	0	324.344	0.556	20	30		DCEDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2c(C#N)ncn2C)cc1	ZINC001191579988	772785433	/nfs/dbraw/zinc/78/54/33/772785433.db2.gz	WEVSCZVBBCVPPH-UHFFFAOYSA-N	-1	0	319.346	0.452	20	30		DCEDRM
CC(=O)NCCn1c([N-]S(=O)(=O)CC#N)nc2ccccc21	ZINC001192950983	772977571	/nfs/dbraw/zinc/97/75/71/772977571.db2.gz	FNFLWWCNTGVNQX-UHFFFAOYSA-N	-1	0	321.362	0.438	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1nc(Cl)c(Cl)nc1CO	ZINC001193106712	773006130	/nfs/dbraw/zinc/00/61/30/773006130.db2.gz	JCGPSRWTWUJWDU-BYPYZUCNSA-N	-1	0	311.150	0.929	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc(S(=O)(=O)CCO)c1	ZINC001193097294	773013119	/nfs/dbraw/zinc/01/31/19/773013119.db2.gz	INRORPXNUUOVKU-SECBINFHSA-N	-1	0	318.376	0.106	20	30		DCEDRM
COC(=O)[C@H]([N-]S(=O)(=O)[C@@H](C)C#N)c1ccccc1OC	ZINC001193193840	773022206	/nfs/dbraw/zinc/02/22/06/773022206.db2.gz	OUOLQPXGBWSAMT-JOYOIKCWSA-N	-1	0	312.347	0.741	20	30		DCEDRM
C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001110459256	773061775	/nfs/dbraw/zinc/06/17/75/773061775.db2.gz	BZEFVBLKTVZCDR-UPJWGTAASA-N	-1	0	317.393	0.925	20	30		DCEDRM
COC(=O)[C@]1(C)COCCN1C(=O)c1ccc([O-])c(C#N)c1	ZINC001193504992	773076199	/nfs/dbraw/zinc/07/61/99/773076199.db2.gz	IKDQLBHCJYDOAY-HNNXBMFYSA-N	-1	0	304.302	0.668	20	30		DCEDRM
COC(=O)c1cc([N-]S(=O)(=O)c2nccn2C)ccc1C#N	ZINC001193604155	773096311	/nfs/dbraw/zinc/09/63/11/773096311.db2.gz	NXXNOXRBBANXMV-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CCC3(CNC(=O)N3)CC2)c1[O-]	ZINC001193646728	773097796	/nfs/dbraw/zinc/09/77/96/773097796.db2.gz	NBTZKBKAMFQFGM-UHFFFAOYSA-N	-1	0	300.318	0.551	20	30		DCEDRM
N#Cc1cccc(C(=O)NC2CC3(C2)CS(=O)(=O)C3)c1[O-]	ZINC001193657666	773098917	/nfs/dbraw/zinc/09/89/17/773098917.db2.gz	ATUVPMXDJVQLLN-UHFFFAOYSA-N	-1	0	306.343	0.571	20	30		DCEDRM
C=CCOC(=O)N1CCN(CCCCS(=O)(=O)[O-])CC1	ZINC001194311695	773173434	/nfs/dbraw/zinc/17/34/34/773173434.db2.gz	VYSXUIFOYROCTJ-UHFFFAOYSA-N	-1	0	306.384	0.595	20	30		DCEDRM
COc1ncnc([N-]S(=O)(=O)c2cccnc2OC)c1C#N	ZINC001194681633	773232653	/nfs/dbraw/zinc/23/26/53/773232653.db2.gz	ZGESKDRXVNPKTG-UHFFFAOYSA-N	-1	0	321.318	0.561	20	30		DCEDRM
N#C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl)C(N)=O	ZINC001197549781	773765615	/nfs/dbraw/zinc/76/56/15/773765615.db2.gz	YDFLJDTZGLPICP-SECBINFHSA-N	-1	0	322.173	0.790	20	30		DCEDRM
N#Cc1cnc(C(=O)Nc2ncc(Br)[nH]c2=O)cn1	ZINC001199669763	774170457	/nfs/dbraw/zinc/17/04/57/774170457.db2.gz	UCFVFFGIKJUXHB-UHFFFAOYSA-N	-1	0	321.094	0.446	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2onc(C)c2C#N)c1	ZINC001201837827	774563107	/nfs/dbraw/zinc/56/31/07/774563107.db2.gz	UVTILUBMCCQCJK-UHFFFAOYSA-N	-1	0	322.302	0.837	20	30		DCEDRM
C=CCC[C@@H](NC(=O)[C@@H]1CCCN1c1ncccn1)C(=O)[O-]	ZINC000316380929	774949002	/nfs/dbraw/zinc/94/90/02/774949002.db2.gz	SWMWJBJPJLDUJZ-NEPJUHHUSA-N	-1	0	304.350	0.981	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC000316658580	774973946	/nfs/dbraw/zinc/97/39/46/774973946.db2.gz	QNCABZBZIKBQKH-NSHDSACASA-N	-1	0	312.347	0.483	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1COC(=O)[C@H](O)CCC(=O)[O-]	ZINC001224171377	775543748	/nfs/dbraw/zinc/54/37/48/775543748.db2.gz	DFJQBIGAPGYUSX-GFCCVEGCSA-N	-1	0	321.285	0.614	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C)cc(=O)[nH]1	ZINC001225706965	775709776	/nfs/dbraw/zinc/70/97/76/775709776.db2.gz	RWLXOINPQVJFMO-JTQLQIEISA-N	-1	0	303.336	0.933	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nc[nH]c(=O)c1C	ZINC001226075602	775762700	/nfs/dbraw/zinc/76/27/00/775762700.db2.gz	ISRMJMLQMVOXEO-SECBINFHSA-N	-1	0	304.324	0.328	20	30		DCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1[n-]c(=O)nc2cnncc21	ZINC001226685466	775860306	/nfs/dbraw/zinc/86/03/06/775860306.db2.gz	BKIPLWQVWLYTCP-MRVPVSSYSA-N	-1	0	303.278	0.740	20	30		DCEDRM
C=C[C@@H]1O[C@H](Oc2[n-]c(=O)nc3nc[nH]c32)[C@H]2OC(C)(C)O[C@@H]12	ZINC001227074356	775921962	/nfs/dbraw/zinc/92/19/62/775921962.db2.gz	XEKJFBHDUKEMRT-HAVGOBCSSA-N	-1	0	320.305	0.868	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cncc([N+](=O)[O-])c1	ZINC001227987632	776034403	/nfs/dbraw/zinc/03/44/03/776034403.db2.gz	JKBLEZGPZRXZTF-NSHDSACASA-N	-1	0	318.307	0.828	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C)nc(OC)n1	ZINC001229826456	776228678	/nfs/dbraw/zinc/22/86/78/776228678.db2.gz	SVMHCKQSUPAUDU-SNVBAGLBSA-N	-1	0	318.351	0.631	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCCN(C)C(=O)C#CC2CC2)c1[O-]	ZINC001067199624	776895952	/nfs/dbraw/zinc/89/59/52/776895952.db2.gz	FXNNLOVPLRQZQB-UHFFFAOYSA-N	-1	0	318.377	0.758	20	30		DCEDRM
Cc1nc(N)nc(C)c1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001600708534	1168259338	/nfs/dbraw/zinc/25/93/38/1168259338.db2.gz	APPYSSQLAOHLJX-UHFFFAOYSA-N	-1	0	303.322	0.506	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)Cc1cccc(F)c1	ZINC001601072998	1168581772	/nfs/dbraw/zinc/58/17/72/1168581772.db2.gz	WJFUCEZTWCCXJZ-UHFFFAOYSA-N	-1	0	300.311	0.956	20	30		DCEDRM
C#CCN(CC(=O)N[C@@H](COC)C(=O)[O-])C(=O)OC(C)(C)C	ZINC001602715313	1169168692	/nfs/dbraw/zinc/16/86/92/1169168692.db2.gz	CFJCXDAALNUVAR-JTQLQIEISA-N	-1	0	314.338	0.073	20	30		DCEDRM
C#CCNC(=O)COC(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC	ZINC001602724564	1169171632	/nfs/dbraw/zinc/17/16/32/1169171632.db2.gz	BTOZPCONHGXGMO-UHFFFAOYSA-N	-1	0	306.318	0.880	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001602810320	1169186031	/nfs/dbraw/zinc/18/60/31/1169186031.db2.gz	XNDBZXAZXQROEH-XHDPSFHLSA-N	-1	0	315.366	0.938	20	30		DCEDRM
C=CCN1CC[C@H](N2CC[C@@H](C(=O)[O-])C[C@@H]2C(=O)OC)C1=O	ZINC001602898514	1169200392	/nfs/dbraw/zinc/20/03/92/1169200392.db2.gz	VIROGGGYYWEMKN-GRYCIOLGSA-N	-1	0	310.350	0.112	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001278052115	945119107	/nfs/dbraw/zinc/11/91/07/945119107.db2.gz	RETMIKQFOKMALF-LLVKDONJSA-N	-1	0	321.381	0.019	20	30		DCEDRM
CCN(CC#N)CCNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001480986718	939512086	/nfs/dbraw/zinc/51/20/86/939512086.db2.gz	GSIJBINGYHJRMF-UHFFFAOYSA-N	-1	0	307.398	0.337	20	30		DCEDRM
COCC#CCN1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001267611568	939571642	/nfs/dbraw/zinc/57/16/42/939571642.db2.gz	AQRMEUMDTPJYIY-GFCCVEGCSA-N	-1	0	306.366	0.268	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001268023920	939747092	/nfs/dbraw/zinc/74/70/92/939747092.db2.gz	TXAAKCKWKDMRJX-JTQLQIEISA-N	-1	0	309.370	0.040	20	30		DCEDRM
C#CCCc1cc(=O)n(-c2nc(N)nc(-c3ccccn3)n2)[n-]1	ZINC001245952243	945301545	/nfs/dbraw/zinc/30/15/45/945301545.db2.gz	VIROBQJKBGVVBB-UHFFFAOYSA-N	-1	0	307.317	0.973	20	30		DCEDRM
C=CCN1CC[C@@]2(CCCN2C(=O)c2cnc[nH]c2=O)C1=O	ZINC001271630677	941413471	/nfs/dbraw/zinc/41/34/71/941413471.db2.gz	PJUKTHMXVNZAJH-HNNXBMFYSA-N	-1	0	302.334	0.575	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H](O)c2cccc(F)c2)c(C#N)c1=O	ZINC001412876452	942119921	/nfs/dbraw/zinc/11/99/21/942119921.db2.gz	XPDXMMXHOMMJFJ-LLVKDONJSA-N	-1	0	304.281	0.230	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2nc3c(s2)COCC3)c(C#N)c1=O	ZINC001412921163	942139999	/nfs/dbraw/zinc/13/99/99/942139999.db2.gz	YRZRCJRGMJBRGS-UHFFFAOYSA-N	-1	0	319.346	0.087	20	30		DCEDRM
COC(=O)C1(NCc2cc(=O)n3[n-]cc(C#N)c3n2)CCCC1	ZINC001412962364	942159668	/nfs/dbraw/zinc/15/96/68/942159668.db2.gz	LIFKVAOHISLBGD-UHFFFAOYSA-N	-1	0	315.333	0.882	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)Cc1ccccc1CC#N)C(=O)[O-]	ZINC001601034203	970915969	/nfs/dbraw/zinc/91/59/69/970915969.db2.gz	LQJBXKMLUGWVIX-OAHLLOKOSA-N	-1	0	312.329	0.971	20	30		DCEDRM
CCc1nc(C)c(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001413309860	942621439	/nfs/dbraw/zinc/62/14/39/942621439.db2.gz	PMDWZHXFVPUTMK-UHFFFAOYSA-N	-1	0	317.305	0.109	20	30		DCEDRM
C=C(C)CN1CC[C@]2(CCCN2C(=O)c2cc(=O)[nH][n-]2)C1=O	ZINC001272287738	942666416	/nfs/dbraw/zinc/66/64/16/942666416.db2.gz	ZSLUNVZPJHARJY-OAHLLOKOSA-N	-1	0	304.350	0.899	20	30		DCEDRM
C=CCN1CCC2(CCN(C(=O)c3cc(=O)n(C)[n-]3)CC2)C1=O	ZINC001272353139	942710719	/nfs/dbraw/zinc/71/07/19/942710719.db2.gz	BIJAREXRPPDTIS-UHFFFAOYSA-N	-1	0	318.377	0.766	20	30		DCEDRM
C#CCNC(=O)[C@H]1CC12CCN(C(=O)c1cc(=O)n(C)[n-]1)CC2	ZINC001272355293	942711427	/nfs/dbraw/zinc/71/14/27/942711427.db2.gz	UCTKBLASBVUNRG-LLVKDONJSA-N	-1	0	316.361	0.117	20	30		DCEDRM
C#CCN1CC2(CN(Cc3c([O-])cc(F)cc3F)C2)OCC1=O	ZINC001272615975	942869770	/nfs/dbraw/zinc/86/97/70/942869770.db2.gz	DNDISWGNKRWSTC-UHFFFAOYSA-N	-1	0	322.311	0.717	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)c1[O-]	ZINC001056611488	943339504	/nfs/dbraw/zinc/33/95/04/943339504.db2.gz	SEVHFTSVFSZIQO-SECBINFHSA-N	-1	0	313.321	0.412	20	30		DCEDRM
CN(CCCN(C)C(=O)C#CC(C)(C)C)Cc1n[nH]c(=O)[n-]1	ZINC001484741919	943543206	/nfs/dbraw/zinc/54/32/06/943543206.db2.gz	JGYPNALJOASLEZ-UHFFFAOYSA-N	-1	0	307.398	0.840	20	30		DCEDRM
C=CCCC(=O)N1CC[C@@]2(C1)CN(Cc1n[nH]c(=O)[n-]1)CCO2	ZINC001276533441	944201739	/nfs/dbraw/zinc/20/17/39/944201739.db2.gz	WRRQCYASSTZFJG-HNNXBMFYSA-N	-1	0	321.381	0.280	20	30		DCEDRM
C#CCCCCC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001317495126	944999075	/nfs/dbraw/zinc/99/90/75/944999075.db2.gz	GRPCLWVXCBVOEW-LBPRGKRZSA-N	-1	0	305.382	0.785	20	30		DCEDRM
C=CCN1CC2(CN(Cc3ccccc3C(=O)[O-])C2)OCC1=O	ZINC001273171672	945609020	/nfs/dbraw/zinc/60/90/20/945609020.db2.gz	HMVMQAZMZGJRCX-UHFFFAOYSA-N	-1	0	316.357	0.984	20	30		DCEDRM
C=CC[C@H](NC(=O)c1ccc(OC)c(-n2cnnn2)c1)C(=O)[O-]	ZINC001321206201	946214236	/nfs/dbraw/zinc/21/42/36/946214236.db2.gz	JQECKLFNNFLDAO-JTQLQIEISA-N	-1	0	317.305	0.430	20	30		DCEDRM
N#Cc1cccc(-c2cn(CCOCCOCC(=O)[O-])nn2)c1	ZINC001254090960	946314307	/nfs/dbraw/zinc/31/43/07/946314307.db2.gz	YAMGSDILMGVHSC-UHFFFAOYSA-N	-1	0	316.317	0.935	20	30		DCEDRM
O=C([N-]OC1CCOCC1)C(=O)NCC#Cc1ccccc1	ZINC001321469649	946342549	/nfs/dbraw/zinc/34/25/49/946342549.db2.gz	AYSOSSUEFIPXAZ-UHFFFAOYSA-N	-1	0	302.330	0.381	20	30		DCEDRM
C=C[C@H](COC)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC001255008423	946457878	/nfs/dbraw/zinc/45/78/78/946457878.db2.gz	RIVRIHGYFKPUDH-SSDOTTSWSA-N	-1	0	306.365	0.409	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc([C@H](C)OC)c1	ZINC001602678622	971255796	/nfs/dbraw/zinc/25/57/96/971255796.db2.gz	CFNPHKIRAPPGJS-NSHDSACASA-N	-1	0	318.329	0.879	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1COc2cc(OC)ccc2C1	ZINC001602684396	971281181	/nfs/dbraw/zinc/28/11/81/971281181.db2.gz	ZULLSVIIIPQSPI-GFCCVEGCSA-N	-1	0	318.329	0.728	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc([S@](C)=O)cc1	ZINC001602685675	971281872	/nfs/dbraw/zinc/28/18/72/971281872.db2.gz	DIAMYLFYLUZHCI-NRFANRHFSA-N	-1	0	308.359	0.653	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ncnn1-c1ccccc1	ZINC001602685832	971282830	/nfs/dbraw/zinc/28/28/30/971282830.db2.gz	GXILONGRIRVHGX-UHFFFAOYSA-N	-1	0	313.317	0.497	20	30		DCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)c2cn(C)cn2)c(C#N)c1	ZINC001259000359	946883629	/nfs/dbraw/zinc/88/36/29/946883629.db2.gz	WWGSNBLCGBVQSH-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1cn(C)cn1	ZINC001258999369	946883835	/nfs/dbraw/zinc/88/38/35/946883835.db2.gz	FMEGIBSJAYIXEX-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
COC(=O)c1sccc1S(=O)(=O)[N-]c1cnc(C#N)cn1	ZINC001259004447	946885535	/nfs/dbraw/zinc/88/55/35/946885535.db2.gz	HUVVKKPSAQTLON-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(C#N)n1	ZINC001259339931	946945631	/nfs/dbraw/zinc/94/56/31/946945631.db2.gz	QWWCNSNJYCALBB-UHFFFAOYSA-N	-1	0	320.330	0.864	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)Nc1sccc1C(N)=O	ZINC001602695258	971306543	/nfs/dbraw/zinc/30/65/43/971306543.db2.gz	AYPUBMLNDAUKCG-QMMMGPOBSA-N	-1	0	309.347	0.194	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnnn1CCC1SCCS1	ZINC001602700976	971324085	/nfs/dbraw/zinc/32/40/85/971324085.db2.gz	QJXUXGUWBQRZCI-UHFFFAOYSA-N	-1	0	313.408	0.394	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)Nc2ccnc(C(=O)[O-])c2)C1	ZINC001602702914	971333121	/nfs/dbraw/zinc/33/31/21/971333121.db2.gz	XOTZLUXGYSLQGN-LBPRGKRZSA-N	-1	0	302.334	0.999	20	30		DCEDRM
CC(=NNCC(=O)[O-])c1ccc(O)c(CN2CCOCC2)c1	ZINC001261236353	947226590	/nfs/dbraw/zinc/22/65/90/947226590.db2.gz	FVNMTYNCJHZIFO-UHFFFAOYSA-N	-1	0	307.350	0.623	20	30		DCEDRM
C[C@@H](O)CNN=Cc1c(Br)cc(C(=O)[O-])n1C	ZINC001324928889	947577797	/nfs/dbraw/zinc/57/77/97/947577797.db2.gz	WCTMNZZRDLUCNC-ZCFIWIBFSA-N	-1	0	304.144	0.790	20	30		DCEDRM
C=CC[C@H](NC(=O)c1cccnc1N1CCOCC1)C(=O)[O-]	ZINC001262177553	947592877	/nfs/dbraw/zinc/59/28/77/947592877.db2.gz	YNNSISBHCIIQRQ-LBPRGKRZSA-N	-1	0	305.334	0.677	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCC2	ZINC001263302754	947827996	/nfs/dbraw/zinc/82/79/96/947827996.db2.gz	CALAWUWMCQIRPO-LLVKDONJSA-N	-1	0	304.350	0.384	20	30		DCEDRM
C=CCn1ncc2ccc(NC(=O)Cn3c(=O)[n-][nH]c3=O)cc21	ZINC001179495019	947856578	/nfs/dbraw/zinc/85/65/78/947856578.db2.gz	UMPKHELZLJUOHR-UHFFFAOYSA-N	-1	0	314.305	0.864	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001325935816	947983731	/nfs/dbraw/zinc/98/37/31/947983731.db2.gz	PNACDLIUPRIHFT-QWHCGFSZSA-N	-1	0	317.393	0.737	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1nonc1-c1cn2ccncc2n1	ZINC001192939441	948005605	/nfs/dbraw/zinc/00/56/05/948005605.db2.gz	OYPSEHJQSKCEEK-UHFFFAOYSA-N	-1	0	305.279	0.045	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1cccc(C#N)c1C)[C@H](C)C(=O)[O-]	ZINC001602758123	971475203	/nfs/dbraw/zinc/47/52/03/971475203.db2.gz	WVBWUADFYRLDFS-LLVKDONJSA-N	-1	0	317.345	0.918	20	30		DCEDRM
CN(CCCN(C)C(=O)C#CC(C)(C)C)Cc1nc(=O)n(C)[nH]1	ZINC001327201758	948419329	/nfs/dbraw/zinc/41/93/29/948419329.db2.gz	VKIATJMNMHDLNV-UHFFFAOYSA-N	-1	0	321.425	0.438	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](CS(C)(=O)=O)C1	ZINC001602778433	971511635	/nfs/dbraw/zinc/51/16/35/971511635.db2.gz	IOEPLZDEJKSYCO-ZWNOBZJWSA-N	-1	0	316.379	0.274	20	30		DCEDRM
CN(C[C@H]1CCN1CC#N)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001264380523	948945937	/nfs/dbraw/zinc/94/59/37/948945937.db2.gz	LEGWHWVLARQAOC-SECBINFHSA-N	-1	0	320.315	0.500	20	30		DCEDRM
C=CC[C@H](NC(=O)NC[C@@H]1CC2(CO1)CCOCC2)C(=O)[O-]	ZINC001329242717	949459510	/nfs/dbraw/zinc/45/95/10/949459510.db2.gz	KFKKBMBEAWIDHL-RYUDHWBXSA-N	-1	0	312.366	0.901	20	30		DCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@H](O)c1cccc(F)c1	ZINC001364543962	949529377	/nfs/dbraw/zinc/52/93/77/949529377.db2.gz	SDZVDXNHSQVDHE-UFBFGSQYSA-N	-1	0	318.308	0.618	20	30		DCEDRM
C[C@H](C(=O)[O-])N(C(=O)C(=O)Nc1ccc(C#N)cc1)C1CC1	ZINC001602815081	971613678	/nfs/dbraw/zinc/61/36/78/971613678.db2.gz	WOBGGFBDPGORNQ-SECBINFHSA-N	-1	0	301.302	0.961	20	30		DCEDRM
COC(=O)[C@@]1([N-]S(=O)(=O)CC(C)(C)CC#N)CCOC1	ZINC001364796879	949954401	/nfs/dbraw/zinc/95/44/01/949954401.db2.gz	NKBLDKRVCFYGNM-GFCCVEGCSA-N	-1	0	304.368	0.178	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NC2CCCCC2)c(=O)[n-]c1=O	ZINC001364889556	950140022	/nfs/dbraw/zinc/14/00/22/950140022.db2.gz	ZQJMNUSCZUMFQK-UHFFFAOYSA-N	-1	0	305.338	0.452	20	30		DCEDRM
Cc1nc([C@@H]2CCCCN2c2[n-]c(=O)n(C)c(=O)c2C#N)no1	ZINC001365212578	950749000	/nfs/dbraw/zinc/74/90/00/950749000.db2.gz	HQFIYNSVYZWSJA-JTQLQIEISA-N	-1	0	316.321	0.368	20	30		DCEDRM
Cc1nc([C@H]2CCCCN2c2[n-]c(=O)n(C)c(=O)c2C#N)no1	ZINC001365212585	950749211	/nfs/dbraw/zinc/74/92/11/950749211.db2.gz	HQFIYNSVYZWSJA-SNVBAGLBSA-N	-1	0	316.321	0.368	20	30		DCEDRM
N#CCc1ccc(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)cc1	ZINC001365259209	950830729	/nfs/dbraw/zinc/83/07/29/950830729.db2.gz	IHPKKXOAUUVGGT-UHFFFAOYSA-N	-1	0	309.285	0.113	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	ZINC001332129229	951492374	/nfs/dbraw/zinc/49/23/74/951492374.db2.gz	YHXVWGDAHQYIML-VXGBXAGGSA-N	-1	0	310.350	0.113	20	30		DCEDRM
CCN(CCC#N)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001411660122	952365491	/nfs/dbraw/zinc/36/54/91/952365491.db2.gz	FLODWVNIFQPXGM-UHFFFAOYSA-N	-1	0	301.306	0.642	20	30		DCEDRM
Cc1noc(C)c1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001411692791	952389262	/nfs/dbraw/zinc/38/92/62/952389262.db2.gz	COZFTUKYAJVWNN-UHFFFAOYSA-N	-1	0	303.278	0.454	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2nc3c(s2)CCC3)c(C#N)c1=O	ZINC001413911041	952415810	/nfs/dbraw/zinc/41/58/10/952415810.db2.gz	ZJYBDYWQVJIENT-UHFFFAOYSA-N	-1	0	317.374	0.545	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1	ZINC001411900419	952528302	/nfs/dbraw/zinc/52/83/02/952528302.db2.gz	LBSFBHPOERLDEZ-QWHCGFSZSA-N	-1	0	317.345	0.987	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCNC(=O)[C@H]1CC(C)C	ZINC001412031910	952610074	/nfs/dbraw/zinc/61/00/74/952610074.db2.gz	GKOCRISKOHDWDD-GFCCVEGCSA-N	-1	0	316.361	0.954	20	30		DCEDRM
COc1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1C#N	ZINC001412272830	952732456	/nfs/dbraw/zinc/73/24/56/952732456.db2.gz	KAFBRYACOVDCRG-UHFFFAOYSA-N	-1	0	324.300	0.590	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1[C@H](C)C(=O)N[C@H](C)[C@@H]1C	ZINC001412296693	952737605	/nfs/dbraw/zinc/73/76/05/952737605.db2.gz	GVBZUJSKZCEXPD-KXUCPTDWSA-N	-1	0	302.334	0.705	20	30		DCEDRM
CN(CCOCc1ccccc1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337066790	952806366	/nfs/dbraw/zinc/80/63/66/952806366.db2.gz	LTIFZGZWBXVBMW-UHFFFAOYSA-N	-1	0	314.345	0.598	20	30		DCEDRM
CCC[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001412679944	952986985	/nfs/dbraw/zinc/98/69/85/952986985.db2.gz	VPUAZTAIXUYXFI-GFCCVEGCSA-N	-1	0	320.349	0.238	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CC3(C2)CCOC[C@@H]3C(N)=O)c1[O-]	ZINC001276215508	953012628	/nfs/dbraw/zinc/01/26/28/953012628.db2.gz	LNOAVCSHAADHEY-GFCCVEGCSA-N	-1	0	315.329	0.228	20	30		DCEDRM
C=CCOCCCC(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1	ZINC001339538210	953101091	/nfs/dbraw/zinc/10/10/91/953101091.db2.gz	APDXJUFTMXKXHE-OAQYLSRUSA-N	-1	0	317.407	0.794	20	30		DCEDRM
C=CC[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)[O-]	ZINC001339861730	953125352	/nfs/dbraw/zinc/12/53/52/953125352.db2.gz	KFVSUBWPEWUTKP-NSHDSACASA-N	-1	0	312.347	0.817	20	30		DCEDRM
C=CC[C@H](NC(=O)CN1c2ccccc2O[C@@H](C)C1=O)C(=O)[O-]	ZINC001339865056	953126322	/nfs/dbraw/zinc/12/63/22/953126322.db2.gz	LIRNDXICDVPVER-QWRGUYRKSA-N	-1	0	318.329	0.946	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(C2CCOCC2)n1	ZINC001341849714	953254291	/nfs/dbraw/zinc/25/42/91/953254291.db2.gz	HONUFUVEWYJQNZ-LBPRGKRZSA-N	-1	0	320.349	0.320	20	30		DCEDRM
C#CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1Cc1ccccc1	ZINC001342140089	953272629	/nfs/dbraw/zinc/27/26/29/953272629.db2.gz	JZNXOQVSXNHIAL-UHFFFAOYSA-N	-1	0	308.345	0.620	20	30		DCEDRM
CC(=O)N1CCC[C@H](C(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC001342644826	953299514	/nfs/dbraw/zinc/29/95/14/953299514.db2.gz	YPJZKONOWRNXHZ-RYUDHWBXSA-N	-1	0	302.334	0.570	20	30		DCEDRM
O=C([O-])C1(CNC(=O)c2cccc(C#CCO)c2)CCOCC1	ZINC001594744229	953378401	/nfs/dbraw/zinc/37/84/01/953378401.db2.gz	NXKCGGFAWIMELJ-UHFFFAOYSA-N	-1	0	317.341	0.642	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001281932316	953420612	/nfs/dbraw/zinc/42/06/12/953420612.db2.gz	KLKNYOXWGMNUKG-IAQYHMDHSA-N	-1	0	323.397	0.260	20	30		DCEDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(C#N)cn1	ZINC001589310411	953785685	/nfs/dbraw/zinc/78/56/85/953785685.db2.gz	MYWSUJCVLDNTHL-MWLCHTKSSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@H](CC(=O)[O-])CC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC001346541878	953912124	/nfs/dbraw/zinc/91/21/24/953912124.db2.gz	XQZVOMDVHCWYEM-IIAYEXGSSA-N	-1	0	309.322	0.130	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1	ZINC001593709507	954180000	/nfs/dbraw/zinc/18/00/00/954180000.db2.gz	YTJVZKNBKOAWIR-CYBMUJFWSA-N	-1	0	303.318	0.550	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1NCC	ZINC001350270391	955041156	/nfs/dbraw/zinc/04/11/56/955041156.db2.gz	ZIROHZJFNWHXMP-LLVKDONJSA-N	-1	0	310.375	0.962	20	30		DCEDRM
CC[C@@H](CNC(=O)C(=O)N(C)Cc1cc(C#N)cs1)C(=O)[O-]	ZINC001589515021	955062999	/nfs/dbraw/zinc/06/29/99/955062999.db2.gz	RGHXRYILPQPFPE-JTQLQIEISA-N	-1	0	323.374	0.805	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(C#N)cc1C	ZINC001593838314	955327638	/nfs/dbraw/zinc/32/76/38/955327638.db2.gz	CNQBETDNFYUDND-UHFFFAOYSA-N	-1	0	304.302	0.957	20	30		DCEDRM
Cn1c(Cc2ccc(C#N)nc2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001594520117	955452724	/nfs/dbraw/zinc/45/27/24/955452724.db2.gz	LRQGPPVOETYNLA-NSHDSACASA-N	-1	0	312.333	0.583	20	30		DCEDRM
O=C([O-])C1(CC(=O)NCCNC(=O)C2N=CC=CC2=O)CCC1	ZINC001352105129	955514298	/nfs/dbraw/zinc/51/42/98/955514298.db2.gz	GTRALSKNVZRKLQ-OUKQBFOZSA-N	-1	0	321.333	0.274	20	30		DCEDRM
C=CCCOCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001285337930	955579117	/nfs/dbraw/zinc/57/91/17/955579117.db2.gz	MSAQJHLABWUNDX-NXEZZACHSA-N	-1	0	324.381	0.639	20	30		DCEDRM
C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001285372061	955603201	/nfs/dbraw/zinc/60/32/01/955603201.db2.gz	AYCSUALXGCOFSN-RKDXNWHRSA-N	-1	0	323.353	0.262	20	30		DCEDRM
COC(=O)c1cccc(CN2CCOC[C@@H]2C(=O)[O-])c1C#N	ZINC001593884565	955734044	/nfs/dbraw/zinc/73/40/44/955734044.db2.gz	DSLFDBHOLGKGJA-CYBMUJFWSA-N	-1	0	304.302	0.630	20	30		DCEDRM
COC(=O)c1n[nH]c2c1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC001593894936	955818859	/nfs/dbraw/zinc/81/88/59/955818859.db2.gz	KDZURGFHGBXMCX-CQSZACIVSA-N	-1	0	320.305	0.086	20	30		DCEDRM
N#CC1(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CCCC1	ZINC001594602129	956142517	/nfs/dbraw/zinc/14/25/17/956142517.db2.gz	UQHCVCMWGWMHSK-LLVKDONJSA-N	-1	0	307.350	0.652	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC001594605641	956169101	/nfs/dbraw/zinc/16/91/01/956169101.db2.gz	ICQLRCZYMZNUSK-UHFFFAOYSA-N	-1	0	301.302	0.583	20	30		DCEDRM
N#CCOc1cccc(CNC(=O)[C@]2(C(=O)[O-])CCCO2)c1	ZINC001594609546	956192950	/nfs/dbraw/zinc/19/29/50/956192950.db2.gz	DGMCCGMEDQDPSC-HNNXBMFYSA-N	-1	0	304.302	0.839	20	30		DCEDRM
N#CCc1ccc(COC(=O)c2cn(CC(=O)[O-])nn2)cc1	ZINC001594610878	956208483	/nfs/dbraw/zinc/20/84/83/956208483.db2.gz	BPXGGKWIGHIIHF-UHFFFAOYSA-N	-1	0	300.274	0.786	20	30		DCEDRM
C=CCC[C@@H]1CCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001353902972	956227305	/nfs/dbraw/zinc/22/73/05/956227305.db2.gz	AHLLMLJWDXGSKV-GFCCVEGCSA-N	-1	0	302.334	0.778	20	30		DCEDRM
N#Cc1ccc([C@@H]2CN(CC(=O)NCC(=O)[O-])CCO2)cc1	ZINC001594618412	956263017	/nfs/dbraw/zinc/26/30/17/956263017.db2.gz	NHWRGJLRHVUPOH-ZDUSSCGKSA-N	-1	0	303.318	0.132	20	30		DCEDRM
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C(=O)NCCC(=O)[O-]	ZINC001594626493	956318087	/nfs/dbraw/zinc/31/80/87/956318087.db2.gz	BTTAYHWSSBXMAV-CYBMUJFWSA-N	-1	0	315.329	0.643	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001589183475	956546167	/nfs/dbraw/zinc/54/61/67/956546167.db2.gz	CVJKFDFHVUFMQY-WIDZWVOGSA-N	-1	0	321.333	0.369	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)C2(C#N)CC3(CC3)C2)CCO1	ZINC001593976626	956669692	/nfs/dbraw/zinc/66/96/92/956669692.db2.gz	VRFLBONEROSSKV-HNNXBMFYSA-N	-1	0	308.334	0.399	20	30		DCEDRM
COCCOc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC001594020121	957076821	/nfs/dbraw/zinc/07/68/21/957076821.db2.gz	NYGRQKUYFOENGX-OAHLLOKOSA-N	-1	0	321.333	0.728	20	30		DCEDRM
O=C([O-])CCCCCNC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001254352109	957251579	/nfs/dbraw/zinc/25/15/79/957251579.db2.gz	IVPFDIHVXRQXCF-PFONDFGASA-N	-1	0	323.349	0.664	20	30		DCEDRM
CN(C)C(=O)[C@H]1CCC[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001413879815	957500941	/nfs/dbraw/zinc/50/09/41/957500941.db2.gz	MVHOTMLMNBMISU-VHSXEESVSA-N	-1	0	319.365	0.004	20	30		DCEDRM
CC(=O)N[C@@H](CSCC(=O)N[C@](C)(C#N)C(C)C)C(=O)[O-]	ZINC000069555785	957653179	/nfs/dbraw/zinc/65/31/79/957653179.db2.gz	VWWNOGNNLLAJND-GXFFZTMASA-N	-1	0	315.395	0.363	20	30		DCEDRM
Cc1[nH]nc(S(=O)(=O)N(CCC#N)CCC#N)c1C(=O)[O-]	ZINC000070446477	957672260	/nfs/dbraw/zinc/67/22/60/957672260.db2.gz	NTZZXLVGVIIWEG-UHFFFAOYSA-N	-1	0	311.323	0.234	20	30		DCEDRM
COCCn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC(C(=O)[O-])CC1	ZINC001594024139	957692209	/nfs/dbraw/zinc/69/22/09/957692209.db2.gz	LZNLBXHISGPXQX-NWDGAFQWSA-N	-1	0	319.365	0.853	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001296042171	957882176	/nfs/dbraw/zinc/88/21/76/957882176.db2.gz	PLRDQFYJKSLVSS-MNOVXSKESA-N	-1	0	322.365	0.203	20	30		DCEDRM
C#CC1(O)CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1	ZINC001588379776	957966598	/nfs/dbraw/zinc/96/65/98/957966598.db2.gz	RBDABCHOWHMDHV-UHFFFAOYSA-N	-1	0	303.314	0.750	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588385349	957969164	/nfs/dbraw/zinc/96/91/64/957969164.db2.gz	FBWGYOCPWWPTEM-LBPRGKRZSA-N	-1	0	301.302	0.733	20	30		DCEDRM
C#CC[C@@H](CCOC)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001588388517	957995597	/nfs/dbraw/zinc/99/55/97/957995597.db2.gz	BTHTXBQYVRAYLA-LBPRGKRZSA-N	-1	0	318.395	0.046	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(OCCC)cc1	ZINC001588395911	958044427	/nfs/dbraw/zinc/04/44/27/958044427.db2.gz	RHOPBOISMARCEP-UHFFFAOYSA-N	-1	0	318.329	0.960	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnn(C2CCC2)c1	ZINC001588397914	958066983	/nfs/dbraw/zinc/06/69/83/958066983.db2.gz	YKSDESZJGADKPH-UHFFFAOYSA-N	-1	0	304.306	0.093	20	30		DCEDRM
CC(C)n1nccc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001463800780	1013166700	/nfs/dbraw/zinc/16/67/00/1013166700.db2.gz	SVTCEOCWFXHODB-UHFFFAOYSA-N	-1	0	316.321	0.627	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cn1nc(C(F)(F)F)cc1C	ZINC001588407292	958097617	/nfs/dbraw/zinc/09/76/17/958097617.db2.gz	JYEPXKFWEJRTNJ-UHFFFAOYSA-N	-1	0	303.240	0.757	20	30		DCEDRM
COc1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001361598998	958121889	/nfs/dbraw/zinc/12/18/89/958121889.db2.gz	VKMXMELUYAYXGF-UHFFFAOYSA-N	-1	0	300.274	0.468	20	30		DCEDRM
COCCN(CC(C)C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361612792	958137093	/nfs/dbraw/zinc/13/70/93/958137093.db2.gz	DCJCLHDWBNQLLF-UHFFFAOYSA-N	-1	0	322.365	0.342	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC001588417539	958174727	/nfs/dbraw/zinc/17/47/27/958174727.db2.gz	UVYXXFFFZLSVCE-SWLSCSKDSA-N	-1	0	315.329	0.147	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC001588426262	958228230	/nfs/dbraw/zinc/22/82/30/958228230.db2.gz	DFAMHLAUPSZKOW-UHFFFAOYSA-N	-1	0	304.305	0.365	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2c[nH]c(C3CC3)n2)n1C	ZINC001588426617	958231127	/nfs/dbraw/zinc/23/11/27/958231127.db2.gz	RIRTUDSNIXZKHC-UHFFFAOYSA-N	-1	0	300.322	0.607	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2nnc(C3CC3)o2)n1C	ZINC001588426832	958233979	/nfs/dbraw/zinc/23/39/79/958233979.db2.gz	DGWSDNOQQFXOOH-UHFFFAOYSA-N	-1	0	316.321	0.191	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2CCOCC2)n1CC=C	ZINC001588427276	958242836	/nfs/dbraw/zinc/24/28/36/958242836.db2.gz	RYSDJSZQTXFVEI-UHFFFAOYSA-N	-1	0	304.350	0.882	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCCCN2C)n1CC	ZINC001588427401	958245707	/nfs/dbraw/zinc/24/57/07/958245707.db2.gz	WCMAGMXXZMUHQY-GFCCVEGCSA-N	-1	0	305.382	0.979	20	30		DCEDRM
C#CCN1CCC[C@H]1c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CC	ZINC001588429757	958248834	/nfs/dbraw/zinc/24/88/34/958248834.db2.gz	BXUYGLLIHJWAHY-STQMWFEESA-N	-1	0	317.393	0.979	20	30		DCEDRM
C#CCOC(=O)[C@@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1	ZINC001588430786	958258934	/nfs/dbraw/zinc/25/89/34/958258934.db2.gz	GQKGIZGAJFUYGT-AWEZNQCLSA-N	-1	0	313.306	0.254	20	30		DCEDRM
C#CCOc1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1	ZINC001588433052	958291355	/nfs/dbraw/zinc/29/13/55/958291355.db2.gz	BMQIUVSTWNCUPS-CQSZACIVSA-N	-1	0	323.370	0.382	20	30		DCEDRM
C#Cc1cc(F)c(NC(=O)C(=O)NCCCC(=O)[O-])c(F)c1	ZINC001588433260	958293931	/nfs/dbraw/zinc/29/39/31/958293931.db2.gz	OIMPJLQLFPCGJE-UHFFFAOYSA-N	-1	0	310.256	0.866	20	30		DCEDRM
C=C(C)Cn1c(CCO)nnc1N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC001588441391	958337093	/nfs/dbraw/zinc/33/70/93/958337093.db2.gz	BXOUOWZPARAZJB-NEPJUHHUSA-N	-1	0	308.382	0.936	20	30		DCEDRM
C=C(C)Cn1c(CCO)nnc1N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588441401	958337291	/nfs/dbraw/zinc/33/72/91/958337291.db2.gz	BXOUOWZPARAZJB-VXGBXAGGSA-N	-1	0	308.382	0.936	20	30		DCEDRM
N#Cc1ccc(CSCC(=O)NCC(=O)NCC(=O)[O-])cc1	ZINC000096753542	958340491	/nfs/dbraw/zinc/34/04/91/958340491.db2.gz	VBQDHIQNXIUJER-UHFFFAOYSA-N	-1	0	321.358	0.108	20	30		DCEDRM
C=C[C@H](C(=O)OC)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001588450480	958393214	/nfs/dbraw/zinc/39/32/14/958393214.db2.gz	NETSDPGGOBUSIN-NQBHXWOUSA-N	-1	0	307.350	0.638	20	30		DCEDRM
N#Cc1cccnc1N1CCN(C(=O)c2c[n-]ncc2=O)CC1	ZINC001361876233	958438915	/nfs/dbraw/zinc/43/89/15/958438915.db2.gz	DTMCUESSSWKCOB-UHFFFAOYSA-N	-1	0	310.317	0.411	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)C(=O)OC	ZINC001588465287	958499402	/nfs/dbraw/zinc/49/94/02/958499402.db2.gz	XEYWSLSYZKEUOX-RYUDHWBXSA-N	-1	0	313.350	0.738	20	30		DCEDRM
C=CCn1c(-c2ncccn2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588470329	958525146	/nfs/dbraw/zinc/52/51/46/958525146.db2.gz	JUVGNDBXUMTSKX-SNVBAGLBSA-N	-1	0	300.322	0.832	20	30		DCEDRM
C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588474231	958555672	/nfs/dbraw/zinc/55/56/72/958555672.db2.gz	GACVCZIVWYKQEA-ZUZCIYMTSA-N	-1	0	319.365	0.716	20	30		DCEDRM
COc1cccc(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001594120727	958595745	/nfs/dbraw/zinc/59/57/45/958595745.db2.gz	GNFSNGWTKAMACU-CQSZACIVSA-N	-1	0	306.274	0.821	20	30		DCEDRM
COCc1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001362040677	958644577	/nfs/dbraw/zinc/64/45/77/958644577.db2.gz	AFTODWQRCTVTHT-UHFFFAOYSA-N	-1	0	314.301	0.606	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@H]2CCc3ccccc32)c(=O)[n-]c1=O	ZINC001362162837	958855956	/nfs/dbraw/zinc/85/59/56/958855956.db2.gz	USDHWJFLFYBSEU-GFCCVEGCSA-N	-1	0	324.340	0.667	20	30		DCEDRM
COc1ncc(NC(=O)C2(C(=O)[O-])CCOCC2)cc1C#N	ZINC001594160616	958883883	/nfs/dbraw/zinc/88/38/83/958883883.db2.gz	RVQYPTHOKVVLTI-UHFFFAOYSA-N	-1	0	305.290	0.782	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1	ZINC001588538897	958945928	/nfs/dbraw/zinc/94/59/28/958945928.db2.gz	QAOBNZFGOPPMPP-RNSXUZJQSA-N	-1	0	308.256	0.620	20	30		DCEDRM
C[C@@H]1CC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H](C)C1	ZINC001362293884	959087649	/nfs/dbraw/zinc/08/76/49/959087649.db2.gz	PWIGOCGIZDVWNB-SCVCMEIPSA-N	-1	0	304.350	0.761	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC001588566105	959149188	/nfs/dbraw/zinc/14/91/88/959149188.db2.gz	TWACVUKSUGFFBF-OCCSQVGLSA-N	-1	0	301.346	0.944	20	30		DCEDRM
CC(C)[C@@H]1C[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001362372321	959233127	/nfs/dbraw/zinc/23/31/27/959233127.db2.gz	ZEDOYZRNQBJLAD-NEPJUHHUSA-N	-1	0	320.349	0.140	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H](C)C1	ZINC001362376431	959243582	/nfs/dbraw/zinc/24/35/82/959243582.db2.gz	QZQQGTULFIJMRS-CMPLNLGQSA-N	-1	0	320.349	0.237	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)cn1	ZINC001362405824	959291491	/nfs/dbraw/zinc/29/14/91/959291491.db2.gz	ILJSSNUUUBIKCF-JTQLQIEISA-N	-1	0	301.335	0.397	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1	ZINC001362437154	959354605	/nfs/dbraw/zinc/35/46/05/959354605.db2.gz	GPOAGIGINLFWCB-BZNIZROVSA-N	-1	0	317.345	0.987	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1C#N	ZINC001594457090	959429863	/nfs/dbraw/zinc/42/98/63/959429863.db2.gz	WHTYXCHUQJAUCY-HNNXBMFYSA-N	-1	0	316.317	0.523	20	30		DCEDRM
CC(C)(C#N)CCCCN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001588607709	959493516	/nfs/dbraw/zinc/49/35/16/959493516.db2.gz	XMCRZAORVQDDFL-NSHDSACASA-N	-1	0	302.396	0.890	20	30		DCEDRM
COc1ccccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362689143	959835421	/nfs/dbraw/zinc/83/54/21/959835421.db2.gz	NVJBUSGZHCNUMS-UHFFFAOYSA-N	-1	0	314.301	0.259	20	30		DCEDRM
C[C@@H]1CCC[C@H](Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)C1	ZINC001573716389	959873700	/nfs/dbraw/zinc/87/37/00/959873700.db2.gz	SYCOPUCMGYFELZ-MNOVXSKESA-N	-1	0	305.334	0.793	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2CCC(F)(F)C2)c(=O)[n-]c1=O	ZINC001362770640	959962616	/nfs/dbraw/zinc/96/26/16/959962616.db2.gz	ANMROJLGTSBZLI-MRVPVSSYSA-N	-1	0	312.276	0.372	20	30		DCEDRM
C=C(C)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC)oc1C	ZINC001303045633	960038256	/nfs/dbraw/zinc/03/82/56/960038256.db2.gz	DOMRKSHYDXEEMH-SNVBAGLBSA-N	-1	0	316.379	0.553	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)Nn2nnc(C)c2C)cc1C#N	ZINC001362850226	960084323	/nfs/dbraw/zinc/08/43/23/960084323.db2.gz	JHTBHYFVUXUDRW-UHFFFAOYSA-N	-1	0	304.335	0.973	20	30		DCEDRM
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001362886144	960133883	/nfs/dbraw/zinc/13/38/83/960133883.db2.gz	LSQYIBUQHDBOJW-LLVKDONJSA-N	-1	0	311.301	0.962	20	30		DCEDRM
CSCC[C@H](NC(=O)c1cccc(C#N)n1)c1nnn[n-]1	ZINC001362999450	960280997	/nfs/dbraw/zinc/28/09/97/960280997.db2.gz	NPPXDKGENOPFJO-VIFPVBQESA-N	-1	0	303.351	0.691	20	30		DCEDRM
Cc1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c(C)[nH]1	ZINC001363002532	960282711	/nfs/dbraw/zinc/28/27/11/960282711.db2.gz	ORVYONVHFGZEKP-UHFFFAOYSA-N	-1	0	301.306	0.196	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1CC(=O)NCCc1nc(=O)o[n-]1	ZINC001363089097	960388611	/nfs/dbraw/zinc/38/86/11/960388611.db2.gz	GJDKLYFEZLDXRA-UHFFFAOYSA-N	-1	0	300.318	0.753	20	30		DCEDRM
CC(C)c1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)no1	ZINC001363125811	960437230	/nfs/dbraw/zinc/43/72/30/960437230.db2.gz	CQUXVZLOQWKLPH-UHFFFAOYSA-N	-1	0	317.305	0.362	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CCC2CCOCC2)c(=O)[n-]c1=O	ZINC001363286746	960789759	/nfs/dbraw/zinc/78/97/59/960789759.db2.gz	KEPJYWHBWTUUSO-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H](c2nn[nH]n2)C1	ZINC001363293412	960813395	/nfs/dbraw/zinc/81/33/95/960813395.db2.gz	WBABOAFRYQCANC-STQMWFEESA-N	-1	0	312.333	0.775	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2coc(C#N)c2)C1	ZINC001571092485	961122514	/nfs/dbraw/zinc/12/25/14/961122514.db2.gz	QRVCYOVXZPCRRD-GZMMTYOYSA-N	-1	0	306.274	0.630	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)c1	ZINC001571096635	961173209	/nfs/dbraw/zinc/17/32/09/961173209.db2.gz	PGZOCDMGMFMJRK-UHFFFAOYSA-N	-1	0	307.331	0.724	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c(=O)[n-]c1=O	ZINC001363485265	961256342	/nfs/dbraw/zinc/25/63/42/961256342.db2.gz	XMSQFFHNIXQSNZ-GMTAPVOTSA-N	-1	0	302.334	0.373	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)CSCCC(=O)[O-])CC1	ZINC001588801980	961429281	/nfs/dbraw/zinc/42/92/81/961429281.db2.gz	OHNNINPTCPGFIA-GFCCVEGCSA-N	-1	0	313.423	0.887	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c2ccccc2nn1C)C(=O)[O-]	ZINC001332151285	961487632	/nfs/dbraw/zinc/48/76/32/961487632.db2.gz	XFISXJIASYNNFO-GFCCVEGCSA-N	-1	0	303.318	0.959	20	30		DCEDRM
COC[C@@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001363604204	961535619	/nfs/dbraw/zinc/53/56/19/961535619.db2.gz	CXXHFXHBPDLZQR-GFCCVEGCSA-N	-1	0	322.365	0.245	20	30		DCEDRM
CC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCCCO1	ZINC001363695123	961709211	/nfs/dbraw/zinc/70/92/11/961709211.db2.gz	JJKQZCCMSFAKHL-RYUDHWBXSA-N	-1	0	320.349	0.284	20	30		DCEDRM
CCOC(=O)CCN(CC1CC1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363735026	961786189	/nfs/dbraw/zinc/78/61/89/961786189.db2.gz	MYKHGVRYEMVTIK-UHFFFAOYSA-N	-1	0	320.349	0.115	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)c(=O)[n-]c1=O	ZINC001363774017	961852903	/nfs/dbraw/zinc/85/29/03/961852903.db2.gz	SLFYXGRQELWWOE-WCFLWFBJSA-N	-1	0	316.361	0.906	20	30		DCEDRM
CN(CCN1CCCC1=O)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001363792252	961897145	/nfs/dbraw/zinc/89/71/45/961897145.db2.gz	WMQQOKHYQCGBEG-UHFFFAOYSA-N	-1	0	314.349	0.361	20	30		DCEDRM
N#CC1(CNS(=O)(=O)c2ccccc2C(=O)[O-])CCOCC1	ZINC001571166001	961997299	/nfs/dbraw/zinc/99/72/99/961997299.db2.gz	RHBNOCZAIUJARQ-UHFFFAOYSA-N	-1	0	324.358	0.983	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001363993149	962259746	/nfs/dbraw/zinc/25/97/46/962259746.db2.gz	DUJQOUYDAGLFGJ-VIFPVBQESA-N	-1	0	313.383	0.569	20	30		DCEDRM
CCOC(=O)c1n[nH]c(CNC(=O)c2ncc(C#N)cc2C)n1	ZINC001364061375	962394195	/nfs/dbraw/zinc/39/41/95/962394195.db2.gz	JYTDONUBHVPHRK-UHFFFAOYSA-N	-1	0	314.305	0.487	20	30		DCEDRM
CC(C)(CNS(=O)(=O)c1ccc(C#N)o1)CS(C)(=O)=O	ZINC001364080583	962432519	/nfs/dbraw/zinc/43/25/19/962432519.db2.gz	CQTFMKDXZXQXBR-UHFFFAOYSA-N	-1	0	320.392	0.500	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C2(C(F)(F)F)CC2)c(=O)[n-]c1=O	ZINC001364108144	962484816	/nfs/dbraw/zinc/48/48/16/962484816.db2.gz	MXJXYBYPOIODPD-UHFFFAOYSA-N	-1	0	316.239	0.279	20	30		DCEDRM
COCCN(Cc1ccc(C)o1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364179409	962621027	/nfs/dbraw/zinc/62/10/27/962621027.db2.gz	XGAYYSMLBGICTC-UHFFFAOYSA-N	-1	0	318.333	0.500	20	30		DCEDRM
C#CCCCC(=O)N1CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001573302512	962654935	/nfs/dbraw/zinc/65/49/35/962654935.db2.gz	CELWDNSGWYGNAD-UHFFFAOYSA-N	-1	0	302.334	0.627	20	30		DCEDRM
CC[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H](O)c1ccccc1	ZINC001364224677	962702550	/nfs/dbraw/zinc/70/25/50/962702550.db2.gz	RNFGKBRJSHCWGI-STQMWFEESA-N	-1	0	314.345	0.869	20	30		DCEDRM
C=C(Br)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573313403	962729980	/nfs/dbraw/zinc/72/99/80/962729980.db2.gz	HCEHWPUBNMEGBR-NXEZZACHSA-N	-1	0	317.183	0.758	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001573320872	962753111	/nfs/dbraw/zinc/75/31/11/962753111.db2.gz	FYZCATBLZITWKV-PSASIEDQSA-N	-1	0	315.351	0.367	20	30		DCEDRM
C=C(C)CCC(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])[C@@H](C)C1	ZINC001573324207	962781961	/nfs/dbraw/zinc/78/19/61/962781961.db2.gz	OVJBWKUWTNSXED-RYUDHWBXSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O	ZINC001573332710	962840900	/nfs/dbraw/zinc/84/09/00/962840900.db2.gz	NORMPXDSCMRWFX-QWRGUYRKSA-N	-1	0	318.395	0.242	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(CC(=O)NC(C)C)CC1	ZINC001573332707	962841084	/nfs/dbraw/zinc/84/10/84/962841084.db2.gz	QODGFABMWDVZHL-UHFFFAOYSA-N	-1	0	311.382	0.076	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)OCC	ZINC001573338437	962873590	/nfs/dbraw/zinc/87/35/90/962873590.db2.gz	AWMUYVLZVYRASY-AEJSXWLSSA-N	-1	0	319.741	0.809	20	30		DCEDRM
C=C(Cl)CN1CCC(CO)(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573339334	962889210	/nfs/dbraw/zinc/88/92/10/962889210.db2.gz	QMKOCPNFCMLJTJ-GHMZBOCLSA-N	-1	0	316.785	0.403	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573339372	962889628	/nfs/dbraw/zinc/88/96/28/962889628.db2.gz	RKALURVYRGNFHA-VIFPVBQESA-N	-1	0	317.773	0.750	20	30		DCEDRM
C=CCCC(=O)N1CC[C@H]2CN(C(=O)CNC(=O)[O-])CC[C@@H]21	ZINC001573353169	962998090	/nfs/dbraw/zinc/99/80/90/962998090.db2.gz	QFKFDGABMHEMBD-RYUDHWBXSA-N	-1	0	309.366	0.670	20	30		DCEDRM
C=CCN1CC(OC2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)C1	ZINC001573368290	963078401	/nfs/dbraw/zinc/07/84/01/963078401.db2.gz	LTOUTFYKVYDRPY-KBPBESRZSA-N	-1	0	308.378	0.585	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CCC[C@@H](NC(=O)CNC(=O)[O-])C1	ZINC001573369394	963097599	/nfs/dbraw/zinc/09/75/99/963097599.db2.gz	SGKODNAIYPPBSB-GHMZBOCLSA-N	-1	0	313.354	0.000	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)Cc1ccc(Cl)nc1)C(=O)[O-]	ZINC000274929553	970313115	/nfs/dbraw/zinc/31/31/15/970313115.db2.gz	CDFGJWJSYJLDBR-VIFPVBQESA-N	-1	0	302.739	0.631	20	30		DCEDRM
N#CCCN(Cc1cccnc1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000318168452	970414465	/nfs/dbraw/zinc/41/44/65/970414465.db2.gz	ZSJXLZXKFWBKLM-OLZOCXBDSA-N	-1	0	303.318	0.956	20	30		DCEDRM
COC(=O)c1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n(C)c1C	ZINC001604371961	973083249	/nfs/dbraw/zinc/08/32/49/973083249.db2.gz	SZOWUEOQUXXWBK-HNNXBMFYSA-N	-1	0	321.333	0.741	20	30		DCEDRM
N#CC1(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)CCSCC1	ZINC001605576470	973847922	/nfs/dbraw/zinc/84/79/22/973847922.db2.gz	OBDDMJACLTWXJY-VIFPVBQESA-N	-1	0	312.347	0.252	20	30		DCEDRM
N#C[C@@]1(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCc2ccccc2C1	ZINC001605583618	973875021	/nfs/dbraw/zinc/87/50/21/973875021.db2.gz	XDAMFQWSCUYFNO-XJKSGUPXSA-N	-1	0	313.313	0.783	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)C3(C(=O)[O-])CCC3)CC2)nc1	ZINC001605611189	973916450	/nfs/dbraw/zinc/91/64/50/973916450.db2.gz	KEPLHIHEICMTNJ-UHFFFAOYSA-N	-1	0	314.345	0.857	20	30		DCEDRM
CN(C)C(=O)OC1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC001604046102	974577528	/nfs/dbraw/zinc/57/75/28/974577528.db2.gz	RIWRFAMWJOTUDT-AWEZNQCLSA-N	-1	0	311.338	0.680	20	30		DCEDRM
CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1nnn[n-]1	ZINC001528749666	1014403876	/nfs/dbraw/zinc/40/38/76/1014403876.db2.gz	RDUPSTOLFRYVRR-SECBINFHSA-N	-1	0	323.357	0.750	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC000712826217	977604340	/nfs/dbraw/zinc/60/43/40/977604340.db2.gz	OUWBWDJVBGINRG-CXQJBGSLSA-N	-1	0	303.380	0.324	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000717921061	977925421	/nfs/dbraw/zinc/92/54/21/977925421.db2.gz	SKSPLYBFXVFUBB-MRVPVSSYSA-N	-1	0	303.361	0.499	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC(O)(C(=O)[O-])CC2)cc1	ZINC000738431144	978537241	/nfs/dbraw/zinc/53/72/41/978537241.db2.gz	QFGLWWCUWYEOLO-UHFFFAOYSA-N	-1	0	303.318	0.408	20	30		DCEDRM
C[C@@H](CNC(=O)CSCC#N)CNc1ccnc(C(=O)[O-])n1	ZINC001592654127	978635497	/nfs/dbraw/zinc/63/54/97/978635497.db2.gz	SHLBMCGZPMUSSU-SECBINFHSA-N	-1	0	323.378	0.018	20	30		DCEDRM
C[C@@H](CS(=O)(=O)NCc1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC001592817135	979520042	/nfs/dbraw/zinc/52/00/42/979520042.db2.gz	XHIIZAVKNPZKFO-QMMMGPOBSA-N	-1	0	300.311	0.837	20	30		DCEDRM
CC[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C(=O)[O-]	ZINC001595134570	979566621	/nfs/dbraw/zinc/56/66/21/979566621.db2.gz	XXVDZLKTMIUHEY-VIFPVBQESA-N	-1	0	307.281	0.863	20	30		DCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC001592834229	979574807	/nfs/dbraw/zinc/57/48/07/979574807.db2.gz	NMGRFEUISLQERG-BZNIZROVSA-N	-1	0	302.330	0.785	20	30		DCEDRM
CCC1=C(C(=O)C(=O)[O-])[C@H](c2cn(CC)nn2)NC(=S)N1	ZINC001595398426	980968868	/nfs/dbraw/zinc/96/88/68/980968868.db2.gz	DSZFNFSUVGSSOJ-VIFPVBQESA-N	-1	0	309.351	0.135	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc2c1CCOC2	ZINC001524029302	1014826339	/nfs/dbraw/zinc/82/63/39/1014826339.db2.gz	LFKUXPMYINFUHZ-CQSZACIVSA-N	-1	0	302.330	0.844	20	30		DCEDRM
C#CCCCC(=O)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001530733849	1014911430	/nfs/dbraw/zinc/91/14/30/1014911430.db2.gz	UBBXYPLKNAKHNW-UHFFFAOYSA-N	-1	0	304.350	0.415	20	30		DCEDRM
Cc1nn(CC(=O)N2CCC(C(=O)[O-])CC2)c(=O)c(C#N)c1C	ZINC001574199462	983189365	/nfs/dbraw/zinc/18/93/65/983189365.db2.gz	YBLMUQURFQIJOV-UHFFFAOYSA-N	-1	0	318.333	0.055	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl	ZINC001588368625	983306909	/nfs/dbraw/zinc/30/69/09/983306909.db2.gz	PAKTZXUJLTYABW-SSDOTTSWSA-N	-1	0	309.709	0.852	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1)C(C)C	ZINC001588372694	983333055	/nfs/dbraw/zinc/33/30/55/983333055.db2.gz	QRONLSKAUVURLK-LBPRGKRZSA-N	-1	0	319.365	0.981	20	30		DCEDRM
C#C[C@@H](NC(=O)COCc1ocnc1C(=O)[O-])C1CCOCC1	ZINC001588372797	983334283	/nfs/dbraw/zinc/33/42/83/983334283.db2.gz	SWSUHTRRWNNGFN-LLVKDONJSA-N	-1	0	322.317	0.434	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001588396783	983409607	/nfs/dbraw/zinc/40/96/07/983409607.db2.gz	ZCGGELWAHTWSEJ-GFCCVEGCSA-N	-1	0	312.366	0.595	20	30		DCEDRM
C#CC[C@@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(=O)[O-]	ZINC001588404456	983417978	/nfs/dbraw/zinc/41/79/78/983417978.db2.gz	BUQJJSVORPVNRM-GFCCVEGCSA-N	-1	0	313.313	0.490	20	30		DCEDRM
C#CC[C@H](NC(=O)CCSc1ncnc2[nH]cnc21)C(=O)[O-]	ZINC001588404970	983419821	/nfs/dbraw/zinc/41/98/21/983419821.db2.gz	JBKILNITHUXLKE-QMMMGPOBSA-N	-1	0	319.346	0.428	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cn(-c2cc(C)cc(F)c2)nn1)C(=O)[O-]	ZINC001588415902	983435926	/nfs/dbraw/zinc/43/59/26/983435926.db2.gz	HYZMHRSLWUMYSB-GFCCVEGCSA-N	-1	0	316.292	0.921	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)C[C@H]1CCCC(C)(C)O1)C(=O)[O-]	ZINC001588423565	983453099	/nfs/dbraw/zinc/45/30/99/983453099.db2.gz	LCBMLAKFFXSJBF-GHMZBOCLSA-N	-1	0	303.380	0.730	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C(C)=O)c(F)c1)C(=O)[O-]	ZINC001588424657	983456015	/nfs/dbraw/zinc/45/60/15/983456015.db2.gz	YPQOJSRXUMCHKQ-LBPRGKRZSA-N	-1	0	313.306	0.783	20	30		DCEDRM
C#CCCS(=O)(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1	ZINC001588457548	983482097	/nfs/dbraw/zinc/48/20/97/983482097.db2.gz	CTLXXJGWJSMGJO-UHFFFAOYSA-N	-1	0	312.347	0.905	20	30		DCEDRM
C#CCN(C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC)C1CC1	ZINC001588457564	983482109	/nfs/dbraw/zinc/48/21/09/983482109.db2.gz	DBLDRWUFJCZHSX-UHFFFAOYSA-N	-1	0	316.313	0.956	20	30		DCEDRM
C#CCN(C(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-])C1CC1	ZINC001588460085	983486675	/nfs/dbraw/zinc/48/66/75/983486675.db2.gz	RPQWPPDUVHQKGL-UHFFFAOYSA-N	-1	0	316.313	0.956	20	30		DCEDRM
C#CCN(Cc1cc(C(=O)[O-])c(CC)[nH]1)[C@H]1CCS(=O)(=O)C1	ZINC001588469952	983504029	/nfs/dbraw/zinc/50/40/29/983504029.db2.gz	VQLWABFQCVQBHT-LBPRGKRZSA-N	-1	0	324.402	0.898	20	30		DCEDRM
C#CCOCCNC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1	ZINC001588491466	983536371	/nfs/dbraw/zinc/53/63/71/983536371.db2.gz	NNKWSTDZDLQNMT-UHFFFAOYSA-N	-1	0	311.725	0.882	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588505952	983550065	/nfs/dbraw/zinc/55/00/65/983550065.db2.gz	BKVYXFFMNRXFOC-KKOKHZNYSA-N	-1	0	324.402	0.085	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588506542	983552059	/nfs/dbraw/zinc/55/20/59/983552059.db2.gz	VZFIWOPIZQGNLZ-HZMBPMFUSA-N	-1	0	312.391	0.038	20	30		DCEDRM
C#Cc1ccc(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)nc1	ZINC001588516437	983561209	/nfs/dbraw/zinc/56/12/09/983561209.db2.gz	MZAOXQKBQNBRGF-CYBMUJFWSA-N	-1	0	316.313	0.685	20	30		DCEDRM
C#Cc1ccc(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001588517329	983564491	/nfs/dbraw/zinc/56/44/91/983564491.db2.gz	QGAKGKQYWVTHIZ-KBPBESRZSA-N	-1	0	302.330	0.645	20	30		DCEDRM
C#Cc1cccc(NC(=S)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1	ZINC001588524387	983574976	/nfs/dbraw/zinc/57/49/76/983574976.db2.gz	HYAHQLHTQLCECJ-UWVGGRQHSA-N	-1	0	319.386	0.932	20	30		DCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588537802	983602121	/nfs/dbraw/zinc/60/21/21/983602121.db2.gz	YPCZGSDGDOYKCM-JTQLQIEISA-N	-1	0	300.336	0.385	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)CSC[C@H](NC(C)=O)C(=O)[O-]	ZINC001596231835	983627488	/nfs/dbraw/zinc/62/74/88/983627488.db2.gz	VHXQGZRNJDRKFS-KOLCDFICSA-N	-1	0	315.395	0.317	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC001588555421	983634701	/nfs/dbraw/zinc/63/47/01/983634701.db2.gz	IERSFZFNTGQTRW-VIFPVBQESA-N	-1	0	315.307	0.688	20	30		DCEDRM
C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588591329	983672489	/nfs/dbraw/zinc/67/24/89/983672489.db2.gz	HUUZJOISDXPWMG-QWRGUYRKSA-N	-1	0	319.365	0.369	20	30		DCEDRM
C=C(CC)CNC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588605620	983693936	/nfs/dbraw/zinc/69/39/36/983693936.db2.gz	ISYISXRNCQETDP-XHDPSFHLSA-N	-1	0	310.350	0.019	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21	ZINC001588618871	983713435	/nfs/dbraw/zinc/71/34/35/983713435.db2.gz	CVMIUACDQVVOJI-RYUDHWBXSA-N	-1	0	315.391	0.976	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](c1cnn(C)c1)c1ncon1	ZINC001588621460	983719159	/nfs/dbraw/zinc/71/91/59/983719159.db2.gz	DRHMRUNPMCNVII-LLVKDONJSA-N	-1	0	305.294	0.430	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCc2nc(COC)nn2C1	ZINC001588622631	983724474	/nfs/dbraw/zinc/72/44/74/983724474.db2.gz	AORWZGZBHYELNO-JTQLQIEISA-N	-1	0	308.338	0.277	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001596299775	983726453	/nfs/dbraw/zinc/72/64/53/983726453.db2.gz	AYFZGBTXALRAFE-SCVCMEIPSA-N	-1	0	301.368	0.310	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cc(C)ncc1C#N	ZINC001596333383	983772384	/nfs/dbraw/zinc/77/23/84/983772384.db2.gz	QXIFSEPJICXRJN-OLZOCXBDSA-N	-1	0	316.361	0.925	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1	ZINC001588664368	983800004	/nfs/dbraw/zinc/80/00/04/983800004.db2.gz	PVHDBLCTDLFMLA-SNVBAGLBSA-N	-1	0	319.379	0.068	20	30		DCEDRM
C=C[C@H](C(=O)[O-])[NH+]1CCC(c2n[n-]c(C(=O)OCC)n2)CC1	ZINC001588664683	983802520	/nfs/dbraw/zinc/80/25/20/983802520.db2.gz	YXZYQBPXTRYZAE-SNVBAGLBSA-N	-1	0	308.338	0.800	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1	ZINC001588673059	983828464	/nfs/dbraw/zinc/82/84/64/983828464.db2.gz	HLFBLWNFEFLZPA-LLVKDONJSA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=C[C@H](OC(=O)c1cc(S(=O)(=O)NC)ccc1C)C(=O)[O-]	ZINC001588713180	983948021	/nfs/dbraw/zinc/94/80/21/983948021.db2.gz	RVUNBSBIKSGDCJ-NSHDSACASA-N	-1	0	313.331	0.699	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)NCc2ncc(C(=O)[O-])s2)CC1	ZINC001588720405	983967058	/nfs/dbraw/zinc/96/70/58/983967058.db2.gz	UWUKSQWLIFLMBG-UHFFFAOYSA-N	-1	0	323.374	0.882	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001588743596	984038977	/nfs/dbraw/zinc/03/89/77/984038977.db2.gz	AIGCFBHNHFFXHE-SNVBAGLBSA-N	-1	0	303.311	0.739	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588744496	984043495	/nfs/dbraw/zinc/04/34/95/984043495.db2.gz	NMAJOMXTJPSQAI-GFCCVEGCSA-N	-1	0	306.318	0.305	20	30		DCEDRM
C=CC[C@@H](OC(=O)CNS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC001588753785	984088838	/nfs/dbraw/zinc/08/88/38/984088838.db2.gz	NIBCDHXCHOPDKA-MRVPVSSYSA-N	-1	0	319.360	0.599	20	30		DCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1	ZINC001588771128	984138041	/nfs/dbraw/zinc/13/80/41/984138041.db2.gz	OUESNXXLEMNKAK-UPJWGTAASA-N	-1	0	324.377	0.502	20	30		DCEDRM
C=CCC[C@H](CO)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588778719	984162555	/nfs/dbraw/zinc/16/25/55/984162555.db2.gz	JUCCCNSKKOMGRG-SNVBAGLBSA-N	-1	0	300.336	0.385	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)[O-]	ZINC001588797705	984230662	/nfs/dbraw/zinc/23/06/62/984230662.db2.gz	JTJCVIUKDDOQBY-ZJUUUORDSA-N	-1	0	307.368	0.524	20	30		DCEDRM
CCNS(=O)(=O)[C@@H]1CCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001596496090	984242391	/nfs/dbraw/zinc/24/23/91/984242391.db2.gz	VNGVKQDZAVDVNO-SECBINFHSA-N	-1	0	324.362	0.169	20	30		DCEDRM
C=CCCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC001588801700	984247154	/nfs/dbraw/zinc/24/71/54/984247154.db2.gz	VGWOKVUIXPABEM-CYBMUJFWSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C=CCNc1ncc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])s1	ZINC001588849262	984369518	/nfs/dbraw/zinc/36/95/18/984369518.db2.gz	HGAUXDPAGFNNCP-MRVPVSSYSA-N	-1	0	324.362	0.156	20	30		DCEDRM
C=CCO[C@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1	ZINC001588850006	984377982	/nfs/dbraw/zinc/37/79/82/984377982.db2.gz	SSCYSFBOKITMRI-NSHDSACASA-N	-1	0	305.334	0.995	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C1	ZINC001588850082	984378175	/nfs/dbraw/zinc/37/81/75/984378175.db2.gz	WQUKAENYCPOSSU-HTAVTVPLSA-N	-1	0	310.350	0.159	20	30		DCEDRM
C=CCOCC(=O)N(C)CCN(C)c1ncc(C(=O)[O-])cn1	ZINC001588850070	984378616	/nfs/dbraw/zinc/37/86/16/984378616.db2.gz	WAHGRPBABSTFTA-UHFFFAOYSA-N	-1	0	308.338	0.272	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588850905	984380941	/nfs/dbraw/zinc/38/09/41/984380941.db2.gz	KAWKCXFFVSLQDT-CYDGBPFRSA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCc1c(C)nc(C)[nH]c1=O)C(=O)[O-]	ZINC001588853580	984384284	/nfs/dbraw/zinc/38/42/84/984384284.db2.gz	BERXQGBKWRXNPD-GFCCVEGCSA-N	-1	0	323.349	0.504	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCN1CC(F)(F)F)C(=O)[O-]	ZINC001588856458	984400326	/nfs/dbraw/zinc/40/03/26/984400326.db2.gz	ZPYWAVFXTGKABP-VHSXEESVSA-N	-1	0	324.299	0.785	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)CC1(C)CCOCC1)C(=O)[O-]	ZINC001588866598	984426231	/nfs/dbraw/zinc/42/62/31/984426231.db2.gz	OXPQIBLGMUXVKS-LLVKDONJSA-N	-1	0	321.395	0.378	20	30		DCEDRM
C=CCOc1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1	ZINC001588873745	984445956	/nfs/dbraw/zinc/44/59/56/984445956.db2.gz	KIILJXGTXZQCQI-UHFFFAOYSA-N	-1	0	316.317	0.858	20	30		DCEDRM
C=CCn1c(-c2c[nH]c(C)n2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588887038	984474829	/nfs/dbraw/zinc/47/48/29/984474829.db2.gz	ZKVZKXDXNYXZQB-LLVKDONJSA-N	-1	0	318.337	0.452	20	30		DCEDRM
C=CCn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588889707	984481409	/nfs/dbraw/zinc/48/14/09/984481409.db2.gz	BAQUAYVYVFPYFJ-AWEZNQCLSA-N	-1	0	318.312	0.924	20	30		DCEDRM
C=CCn1c(-c2ncn(C)n2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588891053	984486554	/nfs/dbraw/zinc/48/65/54/984486554.db2.gz	CDVCBMCJXBSMJC-SECBINFHSA-N	-1	0	303.326	0.171	20	30		DCEDRM
C=CCn1c(C[S@@](C)=O)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588900103	984519175	/nfs/dbraw/zinc/51/91/75/984519175.db2.gz	AATFDPOAYULWCF-OAQYLSRUSA-N	-1	0	312.395	0.644	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC001588926116	984591434	/nfs/dbraw/zinc/59/14/34/984591434.db2.gz	JQULWGYRSZCFSC-LLVKDONJSA-N	-1	0	318.329	0.522	20	30		DCEDRM
C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001599893346	984722693	/nfs/dbraw/zinc/72/26/93/984722693.db2.gz	QRDHMFDQUPRSSS-ONGXEEELSA-N	-1	0	301.302	0.500	20	30		DCEDRM
CC(=O)C1(NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC1	ZINC001589024296	985032013	/nfs/dbraw/zinc/03/20/13/985032013.db2.gz	JEHCFKQVFYRKAY-UHFFFAOYSA-N	-1	0	308.315	0.656	20	30		DCEDRM
CC(=O)NCCCCCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001589133137	985426528	/nfs/dbraw/zinc/42/65/28/985426528.db2.gz	FBIQZZIBBHYLBK-UHFFFAOYSA-N	-1	0	309.366	0.900	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])n2C)C[C@H](C)N1CC#N	ZINC001594492465	985602402	/nfs/dbraw/zinc/60/24/02/985602402.db2.gz	AMKAKFYGYPHOJV-PHIMTYICSA-N	-1	0	304.350	0.782	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H]1CN(C(=O)c2cnc[nH]c2=O)CC1(C)C	ZINC001450451427	1015146291	/nfs/dbraw/zinc/14/62/91/1015146291.db2.gz	PFOHUAQGKWXHFX-MWLCHTKSSA-N	-1	0	317.349	0.309	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccnc1C#N	ZINC001596884478	985771562	/nfs/dbraw/zinc/77/15/62/985771562.db2.gz	KJHGRAZDVUDVTG-SNVBAGLBSA-N	-1	0	313.335	0.063	20	30		DCEDRM
CCOCCCNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001596919097	985966024	/nfs/dbraw/zinc/96/60/24/985966024.db2.gz	FYYJXSSFCRMJSL-UHFFFAOYSA-N	-1	0	312.347	0.961	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001384948996	985974960	/nfs/dbraw/zinc/97/49/60/985974960.db2.gz	SGINRXAYPFITOC-QNSHHTMESA-N	-1	0	305.338	0.208	20	30		DCEDRM
C[C@H](C(=O)N(CC(=O)[O-])C1CCCCC1)n1cnc(C#N)n1	ZINC001589341698	986256109	/nfs/dbraw/zinc/25/61/09/986256109.db2.gz	MAXWYAQHPQNFFS-SNVBAGLBSA-N	-1	0	305.338	0.957	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC[C@H]1O	ZINC001594553542	986266762	/nfs/dbraw/zinc/26/67/62/986266762.db2.gz	BULCLWRSAVBAGZ-JOYOIKCWSA-N	-1	0	324.358	0.648	20	30		DCEDRM
C[C@H](C(=O)NC1(C#N)CCC1)N1CCSC[C@@H]1CC(=O)[O-]	ZINC001589388797	986498270	/nfs/dbraw/zinc/49/82/70/986498270.db2.gz	QKSUWHJXKUXSHG-MNOVXSKESA-N	-1	0	311.407	0.829	20	30		DCEDRM
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001589389101	986500870	/nfs/dbraw/zinc/50/08/70/986500870.db2.gz	VPUMCNXOMNUIRH-AGIUHOORSA-N	-1	0	323.393	0.891	20	30		DCEDRM
C[C@H](C(=O)OCC(=O)c1cc(C(=O)[O-])co1)n1cnc(C#N)n1	ZINC001589543624	987261073	/nfs/dbraw/zinc/26/10/73/987261073.db2.gz	QZCJBRWNBYCQFF-SSDOTTSWSA-N	-1	0	318.245	0.428	20	30		DCEDRM
CC(C)(C(=O)[O-])c1csc(NC(=O)C(=O)NCCC#N)n1	ZINC001589649457	987590158	/nfs/dbraw/zinc/59/01/58/987590158.db2.gz	STZLDUMFNWDZLQ-UHFFFAOYSA-N	-1	0	310.335	0.474	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001589684076	987720157	/nfs/dbraw/zinc/72/01/57/987720157.db2.gz	ABCSALBTBAFTSI-LPWJVIDDSA-N	-1	0	320.389	0.768	20	30		DCEDRM
CCc1nc(C#N)cc(NCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])n1	ZINC001597646555	988668138	/nfs/dbraw/zinc/66/81/38/988668138.db2.gz	CKSBNYAFLQOYGE-QWRGUYRKSA-N	-1	0	317.349	0.502	20	30		DCEDRM
CCc1nn(C[C@H]2CC(C(=O)[O-])=NO2)c(=O)c(C#N)c1CC	ZINC001597723602	989010724	/nfs/dbraw/zinc/01/07/24/989010724.db2.gz	NYURQMYHKFKMFX-MRVPVSSYSA-N	-1	0	304.306	0.469	20	30		DCEDRM
CC(C)(C)OC(=O)N1CCCN(C(=O)CC#N)[C@@H](C(=O)[O-])C1	ZINC001590030487	989031381	/nfs/dbraw/zinc/03/13/81/989031381.db2.gz	CWABRYWRUFIVED-SNVBAGLBSA-N	-1	0	311.338	0.823	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001389412139	989216387	/nfs/dbraw/zinc/21/63/87/989216387.db2.gz	ZKTWPHYPDUWWTO-ZETCQYMHSA-N	-1	0	315.289	0.029	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)N(CC#N)CC#N	ZINC001590117421	989322485	/nfs/dbraw/zinc/32/24/85/989322485.db2.gz	MEEZCODNDDRGKQ-JTQLQIEISA-N	-1	0	324.337	0.620	20	30		DCEDRM
C[C@@H]1CN(c2nnc(-c3cc(C#N)cn3C)n2C)C[C@H]1C(=O)[O-]	ZINC001599869660	989327644	/nfs/dbraw/zinc/32/76/44/989327644.db2.gz	LNCXEBLTOCYWOP-MWLCHTKSSA-N	-1	0	314.349	0.849	20	30		DCEDRM
C[C@@H]1CN(c2nnc(-c3cncc(C#N)c3)n2C)C[C@H]1C(=O)[O-]	ZINC001599870073	989334806	/nfs/dbraw/zinc/33/48/06/989334806.db2.gz	VRRMOVSGSFEEFN-BXKDBHETSA-N	-1	0	312.333	0.906	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001590615155	990287602	/nfs/dbraw/zinc/28/76/02/990287602.db2.gz	LQSDUWLZOCWABC-NSHDSACASA-N	-1	0	318.395	0.414	20	30		DCEDRM
CC(C)(NS(=O)(=O)Cc1ccc(C#N)cc1F)C(=O)[O-]	ZINC001590875425	990788603	/nfs/dbraw/zinc/78/86/03/990788603.db2.gz	ZPSDAEVMHFGZTF-UHFFFAOYSA-N	-1	0	300.311	0.980	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21	ZINC001598468820	991992147	/nfs/dbraw/zinc/99/21/47/991992147.db2.gz	LOSAGVBEMZTHKL-GRYCIOLGSA-N	-1	0	315.395	0.652	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001598469312	991999604	/nfs/dbraw/zinc/99/96/04/991999604.db2.gz	YUJNRXUZLCLEMC-YTWAJWBKSA-N	-1	0	301.368	0.166	20	30		DCEDRM
CS(=O)(=O)N1CCC(Nc2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001599755311	992045577	/nfs/dbraw/zinc/04/55/77/992045577.db2.gz	FSNVWXQDXDLALG-UHFFFAOYSA-N	-1	0	324.362	0.487	20	30		DCEDRM
CN(CCCNc1cnc(C#N)cn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001598483632	992187110	/nfs/dbraw/zinc/18/71/10/992187110.db2.gz	XDFOIIHOKOBEQF-MNOVXSKESA-N	-1	0	303.322	0.329	20	30		DCEDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc(C#N)ccc2F)CC1=O	ZINC001598564861	993131090	/nfs/dbraw/zinc/13/10/90/993131090.db2.gz	LFDPCKUNSOJQBI-NSHDSACASA-N	-1	0	305.265	0.065	20	30		DCEDRM
CNC(=O)[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC001598637345	994262699	/nfs/dbraw/zinc/26/26/99/994262699.db2.gz	KFGHAFKSBNTGQV-CHWSQXEVSA-N	-1	0	303.318	0.131	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCO[C@H](C#N)C1	ZINC001598712279	995362003	/nfs/dbraw/zinc/36/20/03/995362003.db2.gz	KOBJQHMYFZMBMA-OLZOCXBDSA-N	-1	0	304.302	0.823	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CCCSCC#N	ZINC001598748634	995622118	/nfs/dbraw/zinc/62/21/18/995622118.db2.gz	BXZFUEKNSFZQPT-MNOVXSKESA-N	-1	0	300.380	0.971	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(C#N)n1	ZINC001598772084	995892690	/nfs/dbraw/zinc/89/26/90/995892690.db2.gz	UEMOAWMOJLLPLP-BXKDBHETSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2cc(C#N)ccc2F)C[C@H]1C(=O)[O-]	ZINC001598819350	996307420	/nfs/dbraw/zinc/30/74/20/996307420.db2.gz	UFPNOSNHRPXREF-MNOVXSKESA-N	-1	0	320.276	0.643	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)cc2F)C[C@H]1C(=O)[O-]	ZINC001598820325	996319177	/nfs/dbraw/zinc/31/91/77/996319177.db2.gz	WJIYRIADMKIXDR-MNOVXSKESA-N	-1	0	320.276	0.643	20	30		DCEDRM
COC(=O)[C@]1(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CCOC1	ZINC001465764807	1016024270	/nfs/dbraw/zinc/02/42/70/1016024270.db2.gz	FNCYJHCEAZCBHE-AWEZNQCLSA-N	-1	0	305.290	0.029	20	30		DCEDRM
COC(=O)C[C@@H](NC(=O)/C=C/c1ccccc1C#N)C(=O)[O-]	ZINC001598836499	996490001	/nfs/dbraw/zinc/49/00/01/996490001.db2.gz	DPXUKMWQVGMQNO-NNNHXZLVSA-N	-1	0	302.286	0.704	20	30		DCEDRM
COC[C@H](NS(=O)(=O)c1ccc(CCC#N)cc1)C(=O)[O-]	ZINC001599178038	996889975	/nfs/dbraw/zinc/88/99/75/996889975.db2.gz	VUQJYJUAAZBGPU-LBPRGKRZSA-N	-1	0	312.347	0.521	20	30		DCEDRM
CC[C@H](CC#N)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001466683513	1016099380	/nfs/dbraw/zinc/09/93/80/1016099380.db2.gz	SMIPJCHTYUCEDY-SNVBAGLBSA-N	-1	0	301.306	0.688	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)/C=C/C(=O)[O-]	ZINC001599350384	998083509	/nfs/dbraw/zinc/08/35/09/998083509.db2.gz	OMHUREKNRFYYIM-BSPAPZMXSA-N	-1	0	310.331	0.874	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(C#N)n1	ZINC001594142327	998454145	/nfs/dbraw/zinc/45/41/45/998454145.db2.gz	SEDLMDQIORSSCW-SCZZXKLOSA-N	-1	0	302.290	0.213	20	30		DCEDRM
COC(=O)c1cccc([C@H](C(=O)[O-])N2CCO[C@H](C#N)C2)c1	ZINC001598998610	998803426	/nfs/dbraw/zinc/80/34/26/998803426.db2.gz	QTTIJFJSPAJKOT-CHWSQXEVSA-N	-1	0	304.302	0.823	20	30		DCEDRM
COC(=O)c1cnoc1Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001599012546	998910696	/nfs/dbraw/zinc/91/06/96/998910696.db2.gz	HZKKSUWORKIAMC-UHFFFAOYSA-N	-1	0	303.230	0.241	20	30		DCEDRM
CC[C@H](C)C[C@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001469030224	1016300564	/nfs/dbraw/zinc/30/05/64/1016300564.db2.gz	OREXINYZVFJTGP-QWRGUYRKSA-N	-1	0	321.381	0.944	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1	ZINC001469463192	1016337772	/nfs/dbraw/zinc/33/77/72/1016337772.db2.gz	CWUQKCDVPIJAPC-LLVKDONJSA-N	-1	0	316.317	0.680	20	30		DCEDRM
C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)C[C@H](C)O1	ZINC001594471146	999703730	/nfs/dbraw/zinc/70/37/30/999703730.db2.gz	SGNFYRLQPKKAGK-UWVGGRQHSA-N	-1	0	319.317	0.054	20	30		DCEDRM
N#Cc1nc(NC(=O)Cc2ccc(-n3cnnc3)cc2)[n-]c1C#N	ZINC001469565362	1016346976	/nfs/dbraw/zinc/34/69/76/1016346976.db2.gz	BMQXIBHYWAZPFV-UHFFFAOYSA-N	-1	0	318.300	0.915	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cc(F)ccc2O)c(=O)[n-]c1=O	ZINC001418536269	1000324220	/nfs/dbraw/zinc/32/42/20/1000324220.db2.gz	LJEWYDWLZLWNKW-UHFFFAOYSA-N	-1	0	318.264	0.095	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2cscc2Cl)c(=O)[n-]c1=O	ZINC001419697897	1001230148	/nfs/dbraw/zinc/23/01/48/1001230148.db2.gz	HXRMLVOIYLYEKQ-UHFFFAOYSA-N	-1	0	324.749	0.852	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)Cn2nc3ccccn3c2=O)c1	ZINC001471085856	1016526435	/nfs/dbraw/zinc/52/64/35/1016526435.db2.gz	KSIJIKDIVFERJF-UHFFFAOYSA-N	-1	0	309.285	0.478	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@](C)(O)c2cccc(F)c2)c(C#N)c1=O	ZINC001472882655	1016866404	/nfs/dbraw/zinc/86/64/04/1016866404.db2.gz	UBEJLFTYUADJEP-HNNXBMFYSA-N	-1	0	318.308	0.404	20	30		DCEDRM
C[C@@H]1C[C@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CS1	ZINC001427758917	1004586256	/nfs/dbraw/zinc/58/62/56/1004586256.db2.gz	WBYZESGSXBKPCB-SCZZXKLOSA-N	-1	0	323.378	0.014	20	30		DCEDRM
N#CCCc1ccc(S(=O)(=O)[N-]N2CCCNC2=O)cc1	ZINC001475205274	1017077041	/nfs/dbraw/zinc/07/70/41/1017077041.db2.gz	NAOHTSLURQEESM-UHFFFAOYSA-N	-1	0	308.363	0.751	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2C[C@@H]2C2CCCC2)c(=O)[n-]c1=O	ZINC001453847207	1008758474	/nfs/dbraw/zinc/75/84/74/1008758474.db2.gz	YSIVNOPLIHZVQO-CHWSQXEVSA-N	-1	0	316.361	0.763	20	30		DCEDRM
COc1ccc(F)c(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001433780538	1009171660	/nfs/dbraw/zinc/17/16/60/1009171660.db2.gz	JEJMPDZSDSOKMB-UHFFFAOYSA-N	-1	0	318.264	0.607	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)ccc1Cl	ZINC001454554246	1009187759	/nfs/dbraw/zinc/18/77/59/1009187759.db2.gz	PGTDXVXFKFFJPH-LLVKDONJSA-N	-1	0	318.724	0.938	20	30		DCEDRM
CCC1(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCOCC1	ZINC001433821030	1009215508	/nfs/dbraw/zinc/21/55/08/1009215508.db2.gz	BLLBITHJWASMIQ-UHFFFAOYSA-N	-1	0	320.349	0.286	20	30		DCEDRM
COCC(=O)N[C@H](C(=O)[N-]Oc1cccc(C#N)c1)C(C)C	ZINC001454681916	1009261836	/nfs/dbraw/zinc/26/18/36/1009261836.db2.gz	JLZYZPNISHNYMG-AWEZNQCLSA-N	-1	0	305.334	0.755	20	30		DCEDRM
COC(=O)N1CCC(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001433935802	1009370811	/nfs/dbraw/zinc/37/08/11/1009370811.db2.gz	LXCGKLXRLBHJNY-UHFFFAOYSA-N	-1	0	318.333	0.928	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CC2(O)CCCCC2)c(=O)[n-]c1=O	ZINC001434208141	1009662522	/nfs/dbraw/zinc/66/25/22/1009662522.db2.gz	RKDTWINFNBGBAM-UHFFFAOYSA-N	-1	0	320.349	0.022	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1Cl	ZINC001434273332	1009708535	/nfs/dbraw/zinc/70/85/35/1009708535.db2.gz	DGBTXZBAXOTWBM-LLVKDONJSA-N	-1	0	318.724	0.938	20	30		DCEDRM
COC(=O)[C@H]1CCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001422293048	1009795685	/nfs/dbraw/zinc/79/56/85/1009795685.db2.gz	PQVFEVUHGSWZNM-LLVKDONJSA-N	-1	0	301.306	0.444	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001434365739	1009840752	/nfs/dbraw/zinc/84/07/52/1009840752.db2.gz	PSYJWPKXBBLFJI-NSHDSACASA-N	-1	0	311.349	0.870	20	30		DCEDRM
COc1ccc(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)c(OC)c1	ZINC001434453224	1009970343	/nfs/dbraw/zinc/97/03/43/1009970343.db2.gz	JYUOUBHKSZXLDP-UHFFFAOYSA-N	-1	0	315.285	0.308	20	30		DCEDRM
C[C@H]1CCCC[C@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434762720	1010249013	/nfs/dbraw/zinc/24/90/13/1010249013.db2.gz	TYKIQPCWENUYSA-CMPLNLGQSA-N	-1	0	319.365	0.698	20	30		DCEDRM
Cc1[nH][nH]c(=O)c1CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001443448009	1010414120	/nfs/dbraw/zinc/41/41/20/1010414120.db2.gz	ROPGDTNYWKGNGD-JTQLQIEISA-N	-1	0	301.306	0.209	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1ccc(Cl)c2nonc21	ZINC001475336201	1017093388	/nfs/dbraw/zinc/09/33/88/1017093388.db2.gz	KXLGOTZODRYXRT-ZCFIWIBFSA-N	-1	0	301.711	0.149	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@]1(C)CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001423681712	1011417217	/nfs/dbraw/zinc/41/72/17/1011417217.db2.gz	LGLLCVZQKHUYRT-YGRLFVJLSA-N	-1	0	306.370	0.388	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H]2CNC(=O)[C@H](C)C#N)c1[O-]	ZINC001457190281	1011607975	/nfs/dbraw/zinc/60/79/75/1011607975.db2.gz	YCNVJMUHRWOJBZ-PSASIEDQSA-N	-1	0	305.338	0.304	20	30		DCEDRM
CO[C@H]1CCC[C@@H]1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001457196214	1011608133	/nfs/dbraw/zinc/60/81/33/1011608133.db2.gz	DARVXUNLQVAMLK-RYUDHWBXSA-N	-1	0	318.333	0.019	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC001556207803	1012189532	/nfs/dbraw/zinc/18/95/32/1012189532.db2.gz	NKEGASYLRIQZEW-UHFFFAOYSA-N	-1	0	309.289	0.830	20	30		DCEDRM
C#CCO[N-]C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O	ZINC001557458328	1012279152	/nfs/dbraw/zinc/27/91/52/1012279152.db2.gz	VFPRXMPMPBDRLJ-UHFFFAOYSA-N	-1	0	303.249	0.169	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2c[nH]c3ccccc23)c(=O)[n-]c1=O	ZINC001558556972	1012367556	/nfs/dbraw/zinc/36/75/56/1012367556.db2.gz	VAPCUXGLWRSYBP-UHFFFAOYSA-N	-1	0	309.285	0.941	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C=Cc3ccc[nH]3)C2)c(=O)[n-]c1=O	ZINC001558806534	1012382903	/nfs/dbraw/zinc/38/29/03/1012382903.db2.gz	SKDITUVDXPDABR-ARJAWSKDSA-N	-1	0	311.301	0.245	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(F)F)n(C)n1	ZINC001515345470	1017119375	/nfs/dbraw/zinc/11/93/75/1017119375.db2.gz	YGHCYPFAUSTZFT-SSDOTTSWSA-N	-1	0	300.265	0.443	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(CC(F)(F)F)n1	ZINC001515343150	1017119397	/nfs/dbraw/zinc/11/93/97/1017119397.db2.gz	JXISDSDVMSNOQJ-QMMMGPOBSA-N	-1	0	318.255	0.530	20	30		DCEDRM
N#Cc1cncc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1	ZINC001475705894	1017141381	/nfs/dbraw/zinc/14/13/81/1017141381.db2.gz	VZNJLTCTPMXIBU-UHFFFAOYSA-N	-1	0	319.302	0.735	20	30		DCEDRM
C=CC(C)(C)CC(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001498145993	1018689429	/nfs/dbraw/zinc/68/94/29/1018689429.db2.gz	CMXQKTFPYFHOEZ-UHFFFAOYSA-N	-1	0	306.366	0.967	20	30		DCEDRM
C=CCn1cc(C[N-]S(=O)(=O)c2csnc2OC)nn1	ZINC001662631140	1174226221	/nfs/dbraw/zinc/22/62/21/1174226221.db2.gz	ATMPRVXIJGFORH-UHFFFAOYSA-N	-1	0	315.380	0.408	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccsc2C#N)C1	ZINC001606706006	1170269281	/nfs/dbraw/zinc/26/92/81/1170269281.db2.gz	JBZMYSKLUPREOC-NSHDSACASA-N	-1	0	316.360	0.484	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000263555143	238187210	/nfs/dbraw/zinc/18/72/10/238187210.db2.gz	NTSUDTCGRCFVML-ZYHUDNBSSA-N	-1	0	311.363	0.738	20	30		DCEDRM
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(CC#N)C2CC2)c1	ZINC000342014942	238802935	/nfs/dbraw/zinc/80/29/35/238802935.db2.gz	GURCEGWLBIWTEX-UHFFFAOYSA-N	-1	0	323.374	0.771	20	30		DCEDRM
CC(C)C[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000424393405	240258573	/nfs/dbraw/zinc/25/85/73/240258573.db2.gz	RNYMDFSLEVPURV-WDEREUQCSA-N	-1	0	305.400	0.802	20	30		DCEDRM
C=CCO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC	ZINC000497243865	241270614	/nfs/dbraw/zinc/27/06/14/241270614.db2.gz	HFGOYRJQFSLRCH-SECBINFHSA-N	-1	0	302.327	0.677	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-]	ZINC000275063167	212101225	/nfs/dbraw/zinc/10/12/25/212101225.db2.gz	VALBALUBJLAPQL-LLVKDONJSA-N	-1	0	313.379	0.684	20	30		DCEDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000288571386	220249356	/nfs/dbraw/zinc/24/93/56/220249356.db2.gz	QXQDBBPSNFDWHE-UHFFFAOYSA-N	-1	0	300.340	0.233	20	30		DCEDRM
CC(C)N(CC(F)(F)F)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000574156523	291677078	/nfs/dbraw/zinc/67/70/78/291677078.db2.gz	BVAKAMVKXWYKDY-UHFFFAOYSA-N	-1	0	318.255	0.208	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000491616512	533336207	/nfs/dbraw/zinc/33/62/07/533336207.db2.gz	AWQMFAMOEIRQAU-ZDUSSCGKSA-N	-1	0	316.313	0.113	20	30		DCEDRM
N#Cc1nc(NC(=O)CNC(=O)Cc2ccccc2)[n-]c1C#N	ZINC000026269175	395694263	/nfs/dbraw/zinc/69/42/63/395694263.db2.gz	RLKBVVSOUIYINX-UHFFFAOYSA-N	-1	0	308.301	0.450	20	30		DCEDRM
Cc1nn(C)c(C)c1CNS(=O)(=O)c1cccnc1C#N	ZINC000235800448	395892594	/nfs/dbraw/zinc/89/25/94/395892594.db2.gz	DJJYRGYKDKQSSU-UHFFFAOYSA-N	-1	0	305.363	0.782	20	30		DCEDRM
COC[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126093905	395909332	/nfs/dbraw/zinc/90/93/32/395909332.db2.gz	VCIOIWDYHMSAGR-VIFPVBQESA-N	-1	0	318.738	0.590	20	30		DCEDRM
CC(C)(CO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000128329986	395917514	/nfs/dbraw/zinc/91/75/14/395917514.db2.gz	XEMRNKXQQYDSBN-UHFFFAOYSA-N	-1	0	313.335	0.763	20	30		DCEDRM
Cc1nn(CC(=O)[N-]OCc2ccccc2)c(=O)c(C#N)c1C	ZINC000064026011	395984017	/nfs/dbraw/zinc/98/40/17/395984017.db2.gz	UUCPXVFZLTZNNR-UHFFFAOYSA-N	-1	0	312.329	0.980	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)c1	ZINC000261646420	396051951	/nfs/dbraw/zinc/05/19/51/396051951.db2.gz	JFAVJMQVYGNTBG-UHFFFAOYSA-N	-1	0	309.347	0.875	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1	ZINC000290755417	396471553	/nfs/dbraw/zinc/47/15/53/396471553.db2.gz	YSXADMMJEBPTLJ-UHTWSYAYSA-N	-1	0	321.358	0.827	20	30		DCEDRM
C[C@@H](NC(=O)NCC(=O)NCC#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000594528501	396483728	/nfs/dbraw/zinc/48/37/28/396483728.db2.gz	LWFICMDZMMHUEC-KXUCPTDWSA-N	-1	0	310.354	0.061	20	30		DCEDRM
CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@](C)(C#N)C1)C(=O)[O-]	ZINC000594542639	396485623	/nfs/dbraw/zinc/48/56/23/396485623.db2.gz	FMPJZCWNHDMIKC-NHYWBVRUSA-N	-1	0	309.366	0.612	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)N(C)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000594543863	396485764	/nfs/dbraw/zinc/48/57/64/396485764.db2.gz	ISEJKLOAWQCWPG-JTQLQIEISA-N	-1	0	303.318	0.354	20	30		DCEDRM
C[C@H](C[C@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1)C(=O)[O-]	ZINC000594574306	396488101	/nfs/dbraw/zinc/48/81/01/396488101.db2.gz	XGPWSXABGXWNES-VXGBXAGGSA-N	-1	0	317.411	0.899	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC000595276067	396576952	/nfs/dbraw/zinc/57/69/52/396576952.db2.gz	KVKFQSKWESTLHW-CQSZACIVSA-N	-1	0	307.350	0.510	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000582420951	396609724	/nfs/dbraw/zinc/60/97/24/396609724.db2.gz	PNVWXFUCICMWLU-OUAUKWLOSA-N	-1	0	303.384	0.508	20	30		DCEDRM
Cn1c(=O)c(C#N)c(N2CCC(CCC(=O)[O-])CC2)n(C)c1=O	ZINC000595967942	396699058	/nfs/dbraw/zinc/69/90/58/396699058.db2.gz	LHMAIQHAMMBXLD-UHFFFAOYSA-N	-1	0	320.349	0.037	20	30		DCEDRM
N#CCCn1ncc2c1ncnc2N[C@@H]1C[C@H](C(=O)[O-])C[C@@H]1O	ZINC000595979300	396701846	/nfs/dbraw/zinc/70/18/46/396701846.db2.gz	SAYMSNPWXDDPPI-GDPRMGEGSA-N	-1	0	316.321	0.376	20	30		DCEDRM
N#Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)cc(N)c1[N+](=O)[O-]	ZINC000595977573	396702257	/nfs/dbraw/zinc/70/22/57/396702257.db2.gz	GZTWLXZWWFKZMC-FZYJTZEISA-N	-1	0	306.278	0.685	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000596021413	396709000	/nfs/dbraw/zinc/70/90/00/396709000.db2.gz	CEVMRMMRLBYPSR-PWSUYJOCSA-N	-1	0	317.411	0.803	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1	ZINC000629775468	396828387	/nfs/dbraw/zinc/82/83/87/396828387.db2.gz	DVGOXGJNSXNQJA-YPMHNXCESA-N	-1	0	308.378	0.980	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000591350217	396905886	/nfs/dbraw/zinc/90/58/86/396905886.db2.gz	GHMSICPDIQCBSW-NEPJUHHUSA-N	-1	0	317.411	0.899	20	30		DCEDRM
CO[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)[C@@](C)(C(=O)[O-])C1	ZINC000600658589	396908596	/nfs/dbraw/zinc/90/85/96/396908596.db2.gz	LCJFWDCZAJGAJQ-BXUZGUMPSA-N	-1	0	324.358	0.811	20	30		DCEDRM
N#CCN1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1	ZINC000597275508	396930281	/nfs/dbraw/zinc/93/02/81/396930281.db2.gz	YJQSJUMYZDZOPP-UHFFFAOYSA-N	-1	0	313.317	0.311	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC000630438099	397021238	/nfs/dbraw/zinc/02/12/38/397021238.db2.gz	LTKAKWMQLBNZND-AXFHLTTASA-N	-1	0	306.384	0.349	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2nncn2-c2cccnc2)o1	ZINC000377570007	397104476	/nfs/dbraw/zinc/10/44/76/397104476.db2.gz	DXLABMXWKRONGU-UHFFFAOYSA-N	-1	0	316.302	0.928	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CC[C@@](O)(CC#N)C2)c1	ZINC000592852652	397266556	/nfs/dbraw/zinc/26/65/56/397266556.db2.gz	DLSQDNJVLWPHMH-OYHNWAKOSA-N	-1	0	322.386	0.680	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])c1	ZINC000383633195	397278077	/nfs/dbraw/zinc/27/80/77/397278077.db2.gz	JLYSTASECMZVSA-VIFPVBQESA-N	-1	0	304.274	0.945	20	30		DCEDRM
CC(C)[C@H]1CCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602081030	397296355	/nfs/dbraw/zinc/29/63/55/397296355.db2.gz	XKSQEJTUFHAMAS-GFCCVEGCSA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC[C@@H]2C2CCC2)c(=O)[n-]c1=O	ZINC000602093818	397298310	/nfs/dbraw/zinc/29/83/10/397298310.db2.gz	CSKPXJITSHJZCX-GFCCVEGCSA-N	-1	0	302.334	0.612	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1	ZINC000592949090	397300067	/nfs/dbraw/zinc/30/00/67/397300067.db2.gz	DQNGXUCAJIWFCW-OAHLLOKOSA-N	-1	0	314.301	0.521	20	30		DCEDRM
CC[C@]1(C)CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602116293	397306889	/nfs/dbraw/zinc/30/68/89/397306889.db2.gz	DBVTVJVCYQDDQM-OAHLLOKOSA-N	-1	0	304.350	0.859	20	30		DCEDRM
CC[C@@H](CSC)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602133919	397314258	/nfs/dbraw/zinc/31/42/58/397314258.db2.gz	UIMURNTWFRVZBV-JTQLQIEISA-N	-1	0	310.379	0.421	20	30		DCEDRM
COC(=O)CC[C@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000593255546	397342150	/nfs/dbraw/zinc/34/21/50/397342150.db2.gz	QXQPRYBHCDSLMQ-VIFPVBQESA-N	-1	0	318.351	0.006	20	30		DCEDRM
C[C@@H]([C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-])C1CC1	ZINC000593271402	397346244	/nfs/dbraw/zinc/34/62/44/397346244.db2.gz	UCMSKBOIGMNVRJ-KKZNHRDASA-N	-1	0	303.384	0.412	20	30		DCEDRM
CC1(C)CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC000602144758	397320027	/nfs/dbraw/zinc/32/00/27/397320027.db2.gz	PKJNZOIZFSCFCY-UHFFFAOYSA-N	-1	0	322.390	0.565	20	30		DCEDRM
C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC000602148101	397322317	/nfs/dbraw/zinc/32/23/17/397322317.db2.gz	UMDGLVZBFAZZAR-SNVBAGLBSA-N	-1	0	322.390	0.565	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000578433609	397433981	/nfs/dbraw/zinc/43/39/81/397433981.db2.gz	RSQFYOYVGJWBNH-UHFFFAOYSA-N	-1	0	320.345	0.961	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C	ZINC000578074289	397388116	/nfs/dbraw/zinc/38/81/16/397388116.db2.gz	OSQXPMKNNFACTJ-VHSXEESVSA-N	-1	0	305.400	0.944	20	30		DCEDRM
CCOC(=O)c1cnc(NC(=O)[C@@H](C)n2cnc(C#N)n2)[n-]1	ZINC000593900881	397470279	/nfs/dbraw/zinc/47/02/79/397470279.db2.gz	IEGCLBOHHSMHHS-SSDOTTSWSA-N	-1	0	303.282	0.249	20	30		DCEDRM
C#CCN(C1CCCC1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000491438613	397502669	/nfs/dbraw/zinc/50/26/69/397502669.db2.gz	DWZFCLAHJIHTLZ-LBPRGKRZSA-N	-1	0	314.407	0.906	20	30		DCEDRM
CCOC(=O)Cn1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)n1	ZINC000594462118	397556758	/nfs/dbraw/zinc/55/67/58/397556758.db2.gz	KRFVKCASWZUBTP-SECBINFHSA-N	-1	0	300.340	0.490	20	30		DCEDRM
CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2cccnc2C#N)n1	ZINC000594476820	397559969	/nfs/dbraw/zinc/55/99/69/397559969.db2.gz	VKFFYXIQCXFAOW-UHFFFAOYSA-N	-1	0	321.366	0.173	20	30		DCEDRM
N#CCc1ccc(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC000579592825	397582868	/nfs/dbraw/zinc/58/28/68/397582868.db2.gz	ISOBOOCLWZZKKF-CYBMUJFWSA-N	-1	0	308.359	0.989	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000579699345	397588393	/nfs/dbraw/zinc/58/83/93/397588393.db2.gz	DRNNFXNPIANFIA-UHFFFAOYSA-N	-1	0	320.345	0.913	20	30		DCEDRM
CN(CC(=O)Nc1nc(C#N)c(C#N)[n-]1)C(=O)c1cccs1	ZINC000047475573	158002848	/nfs/dbraw/zinc/00/28/48/158002848.db2.gz	SUODCESPBHMBQH-UHFFFAOYSA-N	-1	0	314.330	0.925	20	30		DCEDRM
Cn1cnc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)n1	ZINC000092265913	158112655	/nfs/dbraw/zinc/11/26/55/158112655.db2.gz	HBAGBEBSJLMGDS-UHFFFAOYSA-N	-1	0	313.289	0.443	20	30		DCEDRM
C[C@@H](CC(N)=O)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000342582166	415219005	/nfs/dbraw/zinc/21/90/05/415219005.db2.gz	GFFWJUSDXRDTCI-LURJTMIESA-N	-1	0	303.290	0.379	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-]	ZINC000274945569	415366967	/nfs/dbraw/zinc/36/69/67/415366967.db2.gz	RTIVRIZWYBYKGD-SNVBAGLBSA-N	-1	0	301.368	0.847	20	30		DCEDRM
COC[C@H](CO)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000280222800	415537303	/nfs/dbraw/zinc/53/73/03/415537303.db2.gz	LAUMPDRSOUCHBN-QMMMGPOBSA-N	-1	0	306.290	0.122	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O	ZINC000291041333	415830903	/nfs/dbraw/zinc/83/09/03/415830903.db2.gz	GNUCFVBTAOCNNE-ZBEGNZNMSA-N	-1	0	321.377	0.804	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@@H](CCC(=O)OCC)C(=O)[O-]	ZINC000291872998	415836063	/nfs/dbraw/zinc/83/60/63/415836063.db2.gz	LRRMOYZGAGPXIG-JTQLQIEISA-N	-1	0	307.368	0.669	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O	ZINC000291327750	415828947	/nfs/dbraw/zinc/82/89/47/415828947.db2.gz	UGIZGROGWUIGHE-MRXNPFEDSA-N	-1	0	315.329	0.443	20	30		DCEDRM
CNS(=O)(=O)c1cc(NC(=O)c2ccc(C#N)[nH]2)ccc1[O-]	ZINC000357322441	416062806	/nfs/dbraw/zinc/06/28/06/416062806.db2.gz	IAHWGPLSKOMRHC-UHFFFAOYSA-N	-1	0	320.330	0.752	20	30		DCEDRM
COC(=O)c1ccnc([N-]S(=O)(=O)c2cncc(C#N)c2)c1	ZINC000357388447	416071527	/nfs/dbraw/zinc/07/15/27/416071527.db2.gz	MGYDVANWUBVTLM-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
CC(C)(C)c1nc(=NC(=O)NC[C@H]2COCCO2)s[n-]1	ZINC000330811119	416240971	/nfs/dbraw/zinc/24/09/71/416240971.db2.gz	MWXZVSAZWUPYMQ-QMMMGPOBSA-N	-1	0	300.384	0.999	20	30		DCEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)C(=O)[O-])c1	ZINC000263317693	416337620	/nfs/dbraw/zinc/33/76/20/416337620.db2.gz	QREQFYSXNHPHKZ-SNVBAGLBSA-N	-1	0	324.358	0.143	20	30		DCEDRM
N#CCC1(CNC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1	ZINC000420576998	416418875	/nfs/dbraw/zinc/41/88/75/416418875.db2.gz	FAMNIFAFSVLFAN-UHFFFAOYSA-N	-1	0	315.329	0.811	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)C[C@H](O)COc1ccccc1C#N	ZINC000599440394	416612951	/nfs/dbraw/zinc/61/29/51/416612951.db2.gz	RKYAQAYAYGHMEW-NSHDSACASA-N	-1	0	304.306	0.519	20	30		DCEDRM
N#Cc1ccc(OCC(=O)Nc2ccn(CC(=O)[O-])n2)cc1	ZINC000362596969	416568658	/nfs/dbraw/zinc/56/86/58/416568658.db2.gz	SJLSTEXCGRPUMR-UHFFFAOYSA-N	-1	0	300.274	0.857	20	30		DCEDRM
C#C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)c1ccc(F)cc1	ZINC000491774097	416626899	/nfs/dbraw/zinc/62/68/99/416626899.db2.gz	BVZOTMJBOUBRMU-GFCCVEGCSA-N	-1	0	301.277	0.729	20	30		DCEDRM
N#Cc1cccc(Cl)c1N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424462452	416648878	/nfs/dbraw/zinc/64/88/78/416648878.db2.gz	ARNVQDILASMWTF-JTQLQIEISA-N	-1	0	314.750	0.900	20	30		DCEDRM
Cc1cccc2[nH]c(C(C#N)=C([O-])c3cn(CC(N)=O)nn3)nc21	ZINC000442729847	416709702	/nfs/dbraw/zinc/70/97/02/416709702.db2.gz	BXXDILPVOHWBCP-SECBINFHSA-N	-1	0	323.316	0.438	20	30		DCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)CCOC(F)(F)F	ZINC000556714324	416715313	/nfs/dbraw/zinc/71/53/13/416715313.db2.gz	BQMQLLNCZQYIDY-ZETCQYMHSA-N	-1	0	305.274	0.862	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CCO[C@@H]1C(=C)C)C(=O)[O-]	ZINC000556707306	416715845	/nfs/dbraw/zinc/71/58/45/416715845.db2.gz	AGTACGGEJNSNKK-RWMBFGLXSA-N	-1	0	312.366	0.923	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC1(C(=O)[O-])CCCC1	ZINC000561160862	416855432	/nfs/dbraw/zinc/85/54/32/416855432.db2.gz	CMWFVXVYPVNMAB-JTQLQIEISA-N	-1	0	303.384	0.700	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-]	ZINC000568000765	417072859	/nfs/dbraw/zinc/07/28/59/417072859.db2.gz	CARNWBDJJFGCOT-UWVGGRQHSA-N	-1	0	321.399	0.323	20	30		DCEDRM
C=CCCC[C@H](C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000398131204	417106351	/nfs/dbraw/zinc/10/63/51/417106351.db2.gz	FOGWNJCJTMEUFH-JTQLQIEISA-N	-1	0	301.368	0.991	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000627277879	417327067	/nfs/dbraw/zinc/32/70/67/417327067.db2.gz	BLMUZACGDREYFW-XQHKEYJVSA-N	-1	0	324.377	0.263	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCC[C@@H]1CC(=O)[O-]	ZINC000571407524	417446492	/nfs/dbraw/zinc/44/64/92/417446492.db2.gz	BAKUHTKORSXDFI-IJLUTSLNSA-N	-1	0	317.411	0.946	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC)[C@H](C)CC(=O)[O-]	ZINC000571331454	417447150	/nfs/dbraw/zinc/44/71/50/417447150.db2.gz	LZKMDYXBYYXMSO-WDEREUQCSA-N	-1	0	305.400	0.898	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCCCn1nc(C)cc1C)C(=O)[O-]	ZINC000573516651	417472578	/nfs/dbraw/zinc/47/25/78/417472578.db2.gz	HOIDAMWIDOTJKW-ZDUSSCGKSA-N	-1	0	324.381	0.845	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)[O-]	ZINC000646046901	417862838	/nfs/dbraw/zinc/86/28/38/417862838.db2.gz	BHXUSSRKNGBICJ-UTUOFQBUSA-N	-1	0	320.411	0.455	20	30		DCEDRM
CC#CCCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000659059383	418050713	/nfs/dbraw/zinc/05/07/13/418050713.db2.gz	SUOLFYJZZTUJIB-UHFFFAOYSA-N	-1	0	306.322	0.171	20	30		DCEDRM
C=CC(C)(C)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000659059380	418050992	/nfs/dbraw/zinc/05/09/92/418050992.db2.gz	CFVRISDUEZBKKN-UHFFFAOYSA-N	-1	0	322.365	0.970	20	30		DCEDRM
C=CCn1cc(C(=O)N2CCC(C3N=NC(=O)O3)CC2)nn1	ZINC000649219568	418210874	/nfs/dbraw/zinc/21/08/74/418210874.db2.gz	ITZQBYSLOIHYGA-UHFFFAOYSA-N	-1	0	304.310	0.573	20	30		DCEDRM
C=CCCOCC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000649254180	418215283	/nfs/dbraw/zinc/21/52/83/418215283.db2.gz	FFRFYFYSHZWAKX-LLVKDONJSA-N	-1	0	308.338	0.733	20	30		DCEDRM
C=CCOCCCNC(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000656595416	418365276	/nfs/dbraw/zinc/36/52/76/418365276.db2.gz	JKXQMJSKWFAUEV-LBPRGKRZSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCCO[C@@H]1CC1(F)F)C(=O)[O-]	ZINC000656590314	418365425	/nfs/dbraw/zinc/36/54/25/418365425.db2.gz	AOYVQXCNQZKBDZ-DTWKUNHWSA-N	-1	0	308.281	0.366	20	30		DCEDRM
C=CCOCCCNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000656724723	418373607	/nfs/dbraw/zinc/37/36/07/418373607.db2.gz	SJBKHQALKXJHLH-LLVKDONJSA-N	-1	0	306.384	0.210	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000363394426	262113774	/nfs/dbraw/zinc/11/37/74/262113774.db2.gz	BIJIPBLCVFYWJZ-LBPRGKRZSA-N	-1	0	314.305	0.050	20	30		DCEDRM
COC(=O)N1CCC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000491224152	267376418	/nfs/dbraw/zinc/37/64/18/267376418.db2.gz	AXAXWNCXXZWXJD-MRVPVSSYSA-N	-1	0	302.294	0.570	20	30		DCEDRM
COC(=O)NCCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000497058536	267382912	/nfs/dbraw/zinc/38/29/12/267382912.db2.gz	ZEKZJURXJALZAP-UHFFFAOYSA-N	-1	0	319.277	0.096	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2C#N)c[nH]1	ZINC000443419029	267404208	/nfs/dbraw/zinc/40/42/08/267404208.db2.gz	UFQZXGSNGBRHFL-UHFFFAOYSA-N	-1	0	309.307	0.207	20	30		DCEDRM
Cn1nccc1/C=C/C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000493017826	268135407	/nfs/dbraw/zinc/13/54/07/268135407.db2.gz	ODPOEBNQTQXUOL-NSCUHMNNSA-N	-1	0	317.330	0.205	20	30		DCEDRM
CN(CCCn1c(=O)[n-]cc(C#N)c1=O)C(=O)OC(C)(C)C	ZINC000496266003	272304045	/nfs/dbraw/zinc/30/40/45/272304045.db2.gz	QFRYOIZFXMHAMD-UHFFFAOYSA-N	-1	0	308.338	0.665	20	30		DCEDRM
N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CCO)C(=O)[O-]	ZINC000547871467	288086639	/nfs/dbraw/zinc/08/66/39/288086639.db2.gz	GOMBZDDQLDTQKP-SECBINFHSA-N	-1	0	318.738	0.326	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC000548200196	288120080	/nfs/dbraw/zinc/12/00/80/288120080.db2.gz	GLWAXAFUXURXGK-DGCLKSJQSA-N	-1	0	324.358	0.635	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC000548216992	288122222	/nfs/dbraw/zinc/12/22/22/288122222.db2.gz	KEMXELPVPCOVEZ-SNVBAGLBSA-N	-1	0	318.738	0.590	20	30		DCEDRM
C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cccc(C#N)c1	ZINC000548243371	288124440	/nfs/dbraw/zinc/12/44/40/288124440.db2.gz	STRAYJRNBMQMFQ-JTQLQIEISA-N	-1	0	312.347	0.404	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000548552538	288153469	/nfs/dbraw/zinc/15/34/69/288153469.db2.gz	XWRIYAWTUPERLK-SECBINFHSA-N	-1	0	302.283	0.075	20	30		DCEDRM
CN(C1(C(=O)[O-])CCOCC1)S(=O)(=O)c1cccc(C#N)c1	ZINC000555124321	288344263	/nfs/dbraw/zinc/34/42/63/288344263.db2.gz	XDJXJIPHPMABAG-UHFFFAOYSA-N	-1	0	324.358	0.813	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C(=O)[O-]	ZINC000560445049	332339748	/nfs/dbraw/zinc/33/97/48/332339748.db2.gz	LIJXQCHKQJMMLC-VXGBXAGGSA-N	-1	0	312.366	0.263	20	30		DCEDRM
CC[C@@H](CNS(=O)(=O)N(CCC#N)CCOC)CC(=O)[O-]	ZINC000579237226	332402649	/nfs/dbraw/zinc/40/26/49/332402649.db2.gz	YVDUTERBHCBGCF-LLVKDONJSA-N	-1	0	321.399	0.184	20	30		DCEDRM
CNC(=O)[C@H](/N=C(/[O-])c1cnc2n(c1=O)CCS2)C(C)C	ZINC000331011659	334830343	/nfs/dbraw/zinc/83/03/43/334830343.db2.gz	FFFPENVXDHQEHV-SECBINFHSA-N	-1	0	310.379	0.424	20	30		DCEDRM
CCOC(=O)C[C@@H](S[C@@H](C)C(=O)N(C)CCC#N)C(=O)[O-]	ZINC001573786321	1159232212	/nfs/dbraw/zinc/23/22/12/1159232212.db2.gz	OZPMGFRXZQOXOM-VHSXEESVSA-N	-1	0	316.379	0.887	20	30		DCEDRM
C=CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000519600100	335881382	/nfs/dbraw/zinc/88/13/82/335881382.db2.gz	OWVFWDYFCOMGAX-LBPRGKRZSA-N	-1	0	302.396	0.926	20	30		DCEDRM
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC(O)(CC#N)C2)c1	ZINC000332023486	336156240	/nfs/dbraw/zinc/15/62/40/336156240.db2.gz	UQHJCCFNSKEDCH-UHFFFAOYSA-N	-1	0	323.374	0.467	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](O)C(F)(F)F	ZINC000332501828	336173363	/nfs/dbraw/zinc/17/33/63/336173363.db2.gz	IZDOLNKIQZDUHY-HTQZYQBOSA-N	-1	0	303.306	0.226	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000582670064	337118958	/nfs/dbraw/zinc/11/89/58/337118958.db2.gz	MCIXJSPAEYLLQC-MXWKQRLJSA-N	-1	0	301.368	0.332	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1	ZINC000582941192	337220289	/nfs/dbraw/zinc/22/02/89/337220289.db2.gz	RFEIIFPALCOQOO-DGCLKSJQSA-N	-1	0	303.380	0.706	20	30		DCEDRM
CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000584414140	337321956	/nfs/dbraw/zinc/32/19/56/337321956.db2.gz	JJJLEGFEUNQXCE-GMTAPVOTSA-N	-1	0	303.384	0.508	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CCSC)C(=O)[O-]	ZINC000584623417	337375161	/nfs/dbraw/zinc/37/51/61/337375161.db2.gz	ZIPNKNPRKZBUBI-NXEZZACHSA-N	-1	0	323.440	0.509	20	30		DCEDRM
C=CC[C@H](CC)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424449786	337833742	/nfs/dbraw/zinc/83/37/42/337833742.db2.gz	MCMIDZDFZRZTPJ-UWVGGRQHSA-N	-1	0	304.368	0.234	20	30		DCEDRM
CCC[C@H]1CCN(S(=O)(=O)N(C)CCC#N)[C@H]1C(=O)[O-]	ZINC000514778936	337970759	/nfs/dbraw/zinc/97/07/59/337970759.db2.gz	QOTCRBGCQLAOIQ-WDEREUQCSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C=CCOc1cccnc1C(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000439723667	338376551	/nfs/dbraw/zinc/37/65/51/338376551.db2.gz	ZXPQMYVMSLHUEJ-UHFFFAOYSA-N	-1	0	317.305	0.253	20	30		DCEDRM
C#CCNC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1	ZINC000490574750	339834724	/nfs/dbraw/zinc/83/47/24/339834724.db2.gz	AGHMZGAWYSELEF-UHFFFAOYSA-N	-1	0	313.313	0.244	20	30		DCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000496475905	340006311	/nfs/dbraw/zinc/00/63/11/340006311.db2.gz	PMQHTZWDXZJYSZ-UHFFFAOYSA-N	-1	0	317.367	0.262	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-]	ZINC000576469707	341847999	/nfs/dbraw/zinc/84/79/99/341847999.db2.gz	RAQAXUOZHLEYPF-QJPTWQEYSA-N	-1	0	317.411	0.898	20	30		DCEDRM
C=CC[C@@H](OC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)[O-]	ZINC001602845762	1159785485	/nfs/dbraw/zinc/78/54/85/1159785485.db2.gz	WELHVJALWNJHTG-RKDXNWHRSA-N	-1	0	311.256	0.822	20	30		DCEDRM
C=CCOC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000263075971	526803778	/nfs/dbraw/zinc/80/37/78/526803778.db2.gz	RRGNWCSWVDUFCA-JTQLQIEISA-N	-1	0	324.289	0.746	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)[O-]	ZINC000263175995	526805757	/nfs/dbraw/zinc/80/57/57/526805757.db2.gz	ZFIMZRHASCIZOI-GWCFXTLKSA-N	-1	0	307.302	0.598	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000159565526	527176016	/nfs/dbraw/zinc/17/60/16/527176016.db2.gz	YCMRWDIWGCHPCS-NSHDSACASA-N	-1	0	312.303	0.491	20	30		DCEDRM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000360848646	527188343	/nfs/dbraw/zinc/18/83/43/527188343.db2.gz	VYAJEKAPEPGGDT-QMMMGPOBSA-N	-1	0	320.392	0.393	20	30		DCEDRM
C=CCC[C@@H](NC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)[O-]	ZINC000262791943	527436848	/nfs/dbraw/zinc/43/68/48/527436848.db2.gz	BWTWKLADDAXXRK-SNVBAGLBSA-N	-1	0	303.380	0.879	20	30		DCEDRM
C=CCC[C@@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)[O-]	ZINC000262872097	527445975	/nfs/dbraw/zinc/44/59/75/527445975.db2.gz	JROUEPLOTIQZAB-MRVPVSSYSA-N	-1	0	318.376	0.545	20	30		DCEDRM
C=CCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC000262622137	527550534	/nfs/dbraw/zinc/55/05/34/527550534.db2.gz	MZZZUUJODNNNNE-NSHDSACASA-N	-1	0	324.358	0.595	20	30		DCEDRM
CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414315393	527890538	/nfs/dbraw/zinc/89/05/38/527890538.db2.gz	GACGNRFPYDOAJA-UHFFFAOYSA-N	-1	0	313.291	0.827	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000263137916	528639764	/nfs/dbraw/zinc/63/97/64/528639764.db2.gz	NWDJZPMPVDIPAX-HBNTYKKESA-N	-1	0	303.384	0.365	20	30		DCEDRM
CCS(=O)(=O)N1CC(CNC(=O)N=c2cn[n-]s2)C1	ZINC000330272766	546056895	/nfs/dbraw/zinc/05/68/95/546056895.db2.gz	YCKHRMCMLTUHQJ-UHFFFAOYSA-N	-1	0	305.385	0.146	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-]	ZINC000681558052	548263300	/nfs/dbraw/zinc/26/33/00/548263300.db2.gz	KQBCHRIKOPBOPS-ZETCQYMHSA-N	-1	0	305.743	0.625	20	30		DCEDRM
COc1cc(C#N)ccc1OCCn1cnc(-c2nnn[n-]2)n1	ZINC000737035868	598938993	/nfs/dbraw/zinc/93/89/93/598938993.db2.gz	XHGYCEJEDURRQH-UHFFFAOYSA-N	-1	0	312.293	0.417	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NCCC(=O)[O-])CCN1Cc1ccccc1	ZINC000819091301	597294880	/nfs/dbraw/zinc/29/48/80/597294880.db2.gz	XFCVSNPDNZMFOL-AWEZNQCLSA-N	-1	0	316.361	0.881	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCN(c2cccnn2)C1	ZINC000819822509	597648391	/nfs/dbraw/zinc/64/83/91/597648391.db2.gz	OMUGSMPGVTVJPJ-IAQYHMDHSA-N	-1	0	317.349	0.566	20	30		DCEDRM
Cc1nsc(N2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)n1	ZINC000821248741	597650822	/nfs/dbraw/zinc/65/08/22/597650822.db2.gz	USSLIIZHQFDDFS-ZDUSSCGKSA-N	-1	0	323.378	0.500	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(C2(C)OCCO2)CC1	ZINC000819811601	597654568	/nfs/dbraw/zinc/65/45/68/597654568.db2.gz	RUBUFCSLRUDNFZ-CQSZACIVSA-N	-1	0	310.350	0.993	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](CO)Cc1ccccc1	ZINC000819833277	597655320	/nfs/dbraw/zinc/65/53/20/597655320.db2.gz	FRMMDZIWDJIUSS-CZUORRHYSA-N	-1	0	304.346	0.958	20	30		DCEDRM
COc1ccc2c(c1)CCCC2=NOCC(=O)NCC(=O)[O-]	ZINC000820853394	597760447	/nfs/dbraw/zinc/76/04/47/597760447.db2.gz	KUZDBRUTZSYNIC-UHFFFAOYSA-N	-1	0	306.318	0.953	20	30		DCEDRM
CNC(=O)c1cccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000820641562	598223702	/nfs/dbraw/zinc/22/37/02/598223702.db2.gz	UAOUGHKYGBRMLQ-OAHLLOKOSA-N	-1	0	303.318	0.667	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(S(C)(=O)=O)cc1	ZINC000819843137	598225262	/nfs/dbraw/zinc/22/52/62/598225262.db2.gz	YLLYDRGYXPXZQB-CQSZACIVSA-N	-1	0	324.358	0.711	20	30		DCEDRM
CN(C(=O)CNC(=O)[C@](C)(C#N)CC(=O)[O-])C1CCCCC1	ZINC000820517982	598229604	/nfs/dbraw/zinc/22/96/04/598229604.db2.gz	YKBXGYWSWYRAGI-HNNXBMFYSA-N	-1	0	309.366	0.898	20	30		DCEDRM
C=CCN(CC(=O)OCC)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000736108536	599775416	/nfs/dbraw/zinc/77/54/16/599775416.db2.gz	YACIKJQGRXDQOQ-UHFFFAOYSA-N	-1	0	317.319	0.718	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000736587306	599782820	/nfs/dbraw/zinc/78/28/20/599782820.db2.gz	VKPZZJPKNNBXRW-ZETCQYMHSA-N	-1	0	309.709	0.987	20	30		DCEDRM
COCCCNC(=S)NN=Cc1cc(C(=O)[O-])ccc1O	ZINC000737761997	599906543	/nfs/dbraw/zinc/90/65/43/599906543.db2.gz	DOZUJKCARLVBLD-UHFFFAOYSA-N	-1	0	311.363	0.925	20	30		DCEDRM
N#CCNC(=O)COC(=O)Cn1cc(C(=O)[O-])c2ccccc21	ZINC000739085489	599952243	/nfs/dbraw/zinc/95/22/43/599952243.db2.gz	HZSWSFLSAGLZHI-UHFFFAOYSA-N	-1	0	315.285	0.522	20	30		DCEDRM
N#Cc1cccc(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)c1	ZINC000739133145	600030275	/nfs/dbraw/zinc/03/02/75/600030275.db2.gz	DFULDEQHOLGMBK-UHFFFAOYSA-N	-1	0	309.285	0.598	20	30		DCEDRM
N#CCN(CC#N)S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC000386599329	600103990	/nfs/dbraw/zinc/10/39/90/600103990.db2.gz	WXRKKBUXIYLFFI-UHFFFAOYSA-N	-1	0	323.330	0.578	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1	ZINC000736088689	600337694	/nfs/dbraw/zinc/33/76/94/600337694.db2.gz	ASZRRGDQCMBDTP-UHFFFAOYSA-N	-1	0	304.302	0.618	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCN1C(=O)COc2ccccc21	ZINC000739077894	600402378	/nfs/dbraw/zinc/40/23/78/600402378.db2.gz	WFQSOHMYRXWLNO-UHFFFAOYSA-N	-1	0	317.301	0.239	20	30		DCEDRM
Cc1nn(C)c(C)c1-c1cc(C(=O)N(CC#N)CC(=O)[O-])[nH]n1	ZINC000738906812	600404202	/nfs/dbraw/zinc/40/42/02/600404202.db2.gz	YXTHYQWXUBNCMB-UHFFFAOYSA-N	-1	0	316.321	0.477	20	30		DCEDRM
CC(=O)N1C[C@H](C(=O)N(CC#N)CC(=O)[O-])Oc2ccccc21	ZINC000736135825	600405619	/nfs/dbraw/zinc/40/56/19/600405619.db2.gz	GLRXRSCDQFONLE-CYBMUJFWSA-N	-1	0	317.301	0.237	20	30		DCEDRM
N#Cc1cccc(-c2nnc(CN3CCO[C@@H](C(=O)[O-])C3)o2)c1	ZINC000819106448	600824648	/nfs/dbraw/zinc/82/46/48/600824648.db2.gz	REBXATRTZCVFIV-GFCCVEGCSA-N	-1	0	314.301	0.894	20	30		DCEDRM
C#CCN(CC#CC)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000825608485	600836718	/nfs/dbraw/zinc/83/67/18/600836718.db2.gz	ACMHVDNXNRCNIR-KRWDZBQOSA-N	-1	0	324.380	0.983	20	30		DCEDRM
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000828251194	601003780	/nfs/dbraw/zinc/00/37/80/601003780.db2.gz	FNXWKRDXEZESPF-MNOVXSKESA-N	-1	0	310.354	0.301	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000831724934	601220882	/nfs/dbraw/zinc/22/08/82/601220882.db2.gz	HOSMJANFDSCXDY-UHFFFAOYSA-N	-1	0	316.335	0.837	20	30		DCEDRM
C#CCN1CCN(C(=O)COc2ccccc2NC(=O)[O-])CC1	ZINC000825618991	601228995	/nfs/dbraw/zinc/22/89/95/601228995.db2.gz	IXHJUDGVPULWTM-UHFFFAOYSA-N	-1	0	317.345	0.933	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)Cn2cc(C(=O)[O-])nn2)cc1	ZINC000833072322	601290194	/nfs/dbraw/zinc/29/01/94/601290194.db2.gz	XJKBJRVTLSQRSY-UHFFFAOYSA-N	-1	0	315.289	0.043	20	30		DCEDRM
COCCN1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000831743638	601310452	/nfs/dbraw/zinc/31/04/52/601310452.db2.gz	ADKAVDMIFGBZDO-HNNXBMFYSA-N	-1	0	303.362	0.948	20	30		DCEDRM
Cn1cc(C(=O)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cn1	ZINC000833042198	601351258	/nfs/dbraw/zinc/35/12/58/601351258.db2.gz	YMNOLIIZJNGRGT-ZDUSSCGKSA-N	-1	0	313.269	0.844	20	30		DCEDRM
CCCCC[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)[O-]	ZINC000829346666	601383106	/nfs/dbraw/zinc/38/31/06/601383106.db2.gz	CHDPWXIAMGHUCX-JTQLQIEISA-N	-1	0	308.338	0.401	20	30		DCEDRM
C/C(=C\COC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000825765115	601422927	/nfs/dbraw/zinc/42/29/27/601422927.db2.gz	MIUINOPFLJSDPY-UXBLZVDNSA-N	-1	0	302.286	0.862	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1	ZINC000825636132	601490752	/nfs/dbraw/zinc/49/07/52/601490752.db2.gz	CXPLNRGEIRDKNJ-CYBMUJFWSA-N	-1	0	316.313	0.309	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)CCc2nnc[nH]2)C(=O)[O-])cc1	ZINC000833072687	602089565	/nfs/dbraw/zinc/08/95/65/602089565.db2.gz	PDQIXSYZPKCCSZ-CYBMUJFWSA-N	-1	0	300.274	0.978	20	30		DCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCCCC#N	ZINC000827021717	602229812	/nfs/dbraw/zinc/22/98/12/602229812.db2.gz	IBOGOLRREMDMIJ-NSHDSACASA-N	-1	0	306.384	0.820	20	30		DCEDRM
C[C@H](CC(=O)[O-])C(=O)OCC(=O)NCc1cccc(C#N)c1	ZINC000827333275	602277711	/nfs/dbraw/zinc/27/77/11/602277711.db2.gz	JKHWZCUDJZRYAY-SNVBAGLBSA-N	-1	0	304.302	0.828	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cnc3n2CCCC3)[n-]c1-c1nn[nH]n1	ZINC000826382439	607569717	/nfs/dbraw/zinc/56/97/17/607569717.db2.gz	DYKGAXALZIMHDR-UHFFFAOYSA-N	-1	0	324.308	0.247	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@H](CNC(=O)[O-])C1	ZINC000831118308	603183471	/nfs/dbraw/zinc/18/34/71/603183471.db2.gz	UJVPXJUUHUQLJQ-SECBINFHSA-N	-1	0	324.362	0.300	20	30		DCEDRM
CN(CCN1CCN(C(=O)[O-])CC1)C(=O)C#Cc1ccccc1	ZINC000828311823	603487749	/nfs/dbraw/zinc/48/77/49/603487749.db2.gz	ALUWLLHULKEEEF-UHFFFAOYSA-N	-1	0	315.373	0.792	20	30		DCEDRM
O=C([O-])Nc1ccc(C=NNc2nc3[nH][nH]cc-3c(=O)n2)cn1	ZINC000832840516	603487899	/nfs/dbraw/zinc/48/78/99/603487899.db2.gz	IYKNATYMAQMZDT-UHFFFAOYSA-N	-1	0	314.265	0.363	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000831083033	603599954	/nfs/dbraw/zinc/59/99/54/603599954.db2.gz	UTICKGXOMXHSET-GFCCVEGCSA-N	-1	0	318.289	0.852	20	30		DCEDRM
CC(N=Nc1ccc(C(N)=O)nn1)[C@@H]1CCCCN1C(=O)[O-]	ZINC000823532637	603603359	/nfs/dbraw/zinc/60/33/59/603603359.db2.gz	MBDXNTLOGOHNOI-JTQLQIEISA-N	-1	0	306.326	0.896	20	30		DCEDRM
CC(C)(C)CC(=O)NCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000823760188	603603406	/nfs/dbraw/zinc/60/34/06/603603406.db2.gz	QBNOFMRUEZNQRW-JTQLQIEISA-N	-1	0	310.354	0.253	20	30		DCEDRM
COC(=O)[C@H](OC(=O)CN(C)C(=O)[O-])c1cccc(C#N)c1	ZINC000828611612	603612159	/nfs/dbraw/zinc/61/21/59/603612159.db2.gz	CGMRINHKWKUZDL-GFCCVEGCSA-N	-1	0	306.274	0.925	20	30		DCEDRM
N#Cc1cc(C#N)c(S[C@@H]2CN(C(=O)[O-])CCC2=O)nc1N	ZINC000831114181	603675042	/nfs/dbraw/zinc/67/50/42/603675042.db2.gz	JZBWEMULCZEUAI-SNVBAGLBSA-N	-1	0	317.330	0.821	20	30		DCEDRM
CCN(CCC#N)C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000827111507	603841045	/nfs/dbraw/zinc/84/10/45/603841045.db2.gz	PTAJITCPMGTIOE-UHFFFAOYSA-N	-1	0	320.353	0.969	20	30		DCEDRM
C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])c1cccc(C#N)c1	ZINC000825082624	603867850	/nfs/dbraw/zinc/86/78/50/603867850.db2.gz	NULAFSVANQPKLT-TVYUQYBPSA-N	-1	0	303.318	0.849	20	30		DCEDRM
CCCC[C@@H](CNC(=O)[O-])Nc1c(C#N)c(=O)n(C)c(=O)n1C	ZINC000826813187	603894740	/nfs/dbraw/zinc/89/47/40/603894740.db2.gz	GZDVUFDDUPXISG-VIFPVBQESA-N	-1	0	323.353	0.194	20	30		DCEDRM
C[C@]1(C(=O)NCCNc2ncccc2C#N)CCN(C(=O)[O-])C1	ZINC000825664219	603896195	/nfs/dbraw/zinc/89/61/95/603896195.db2.gz	ZSHZSZKVZFFFDH-HNNXBMFYSA-N	-1	0	317.349	0.871	20	30		DCEDRM
CC(C)(CNC(=O)NCCNc1ccc(C#N)cn1)NC(=O)[O-]	ZINC000823936563	603995713	/nfs/dbraw/zinc/99/57/13/603995713.db2.gz	HZDJSMPJDKRAKG-UHFFFAOYSA-N	-1	0	320.353	0.711	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000827111520	604040728	/nfs/dbraw/zinc/04/07/28/604040728.db2.gz	QJMFCVFSEBRKJX-MNOVXSKESA-N	-1	0	311.338	0.728	20	30		DCEDRM
N#C[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C1CCCCC1	ZINC000831070624	604060336	/nfs/dbraw/zinc/06/03/36/604060336.db2.gz	PDDAPCVQDWAKOG-GFCCVEGCSA-N	-1	0	322.365	0.397	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCCCN1CCOCC1	ZINC000831083348	604068053	/nfs/dbraw/zinc/06/80/53/604068053.db2.gz	ZOZBHWAZYGNPQY-CYBMUJFWSA-N	-1	0	324.381	0.203	20	30		DCEDRM
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000831018723	604069076	/nfs/dbraw/zinc/06/90/76/604069076.db2.gz	OTGGUNKJKJRWCE-VIFPVBQESA-N	-1	0	307.266	0.261	20	30		DCEDRM
COC(=O)c1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)ccn1	ZINC000828741295	604083077	/nfs/dbraw/zinc/08/30/77/604083077.db2.gz	ZWGLVCHMGAOBDG-SNVBAGLBSA-N	-1	0	318.289	0.196	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1COc2ccccc21	ZINC000831076744	604083447	/nfs/dbraw/zinc/08/34/47/604083447.db2.gz	RWNAOZHHKIZOBY-CMPLNLGQSA-N	-1	0	301.302	0.877	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@]1(C)CCN(C(=O)[O-])C1	ZINC000827112135	604103731	/nfs/dbraw/zinc/10/37/31/604103731.db2.gz	WUUGXHYJHKZXGX-CQSZACIVSA-N	-1	0	311.338	0.682	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cc1csc2nccn12	ZINC000831086512	604275590	/nfs/dbraw/zinc/27/55/90/604275590.db2.gz	FKIGRPDEXGMHEZ-SNVBAGLBSA-N	-1	0	319.346	0.653	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)n1	ZINC000833078435	604321607	/nfs/dbraw/zinc/32/16/07/604321607.db2.gz	KBVMJMJSGPJECZ-SNVBAGLBSA-N	-1	0	311.301	0.755	20	30		DCEDRM
Cn1ncc2c1nc(NN=Cc1ccc(C(=O)[O-])[nH]1)[nH]c2=O	ZINC000769818189	604397748	/nfs/dbraw/zinc/39/77/48/604397748.db2.gz	GOYWTMQPNSHTAZ-UHFFFAOYSA-N	-1	0	301.266	0.541	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CCO1	ZINC000825371185	604450410	/nfs/dbraw/zinc/45/04/10/604450410.db2.gz	DIRQOODKOZFKBF-PSASIEDQSA-N	-1	0	321.293	0.723	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)Cc1ccccc1C(=O)[O-]	ZINC000833376574	604498219	/nfs/dbraw/zinc/49/82/19/604498219.db2.gz	HMLBMZWSXAZHDB-UHFFFAOYSA-N	-1	0	320.301	0.482	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C#Cc2ccccc2)CCO1	ZINC000825292866	604671118	/nfs/dbraw/zinc/67/11/18/604671118.db2.gz	CRQCYPWHTUXDBL-JSGCOSHPSA-N	-1	0	302.330	0.922	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)C1(NC(=O)[O-])CC1	ZINC000825544770	604762584	/nfs/dbraw/zinc/76/25/84/604762584.db2.gz	ORZGNIYBSNMXKS-TVQRCGJNSA-N	-1	0	311.338	0.773	20	30		DCEDRM
C#CCOCCC(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC000833364230	604855137	/nfs/dbraw/zinc/85/51/37/604855137.db2.gz	MEOBHWRACCZNCP-CYBMUJFWSA-N	-1	0	309.293	0.814	20	30		DCEDRM
CC(C)C[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)C(=O)[O-]	ZINC000818637082	604861256	/nfs/dbraw/zinc/86/12/56/604861256.db2.gz	LABXDDQCIHXFGQ-JTQLQIEISA-N	-1	0	321.337	0.208	20	30		DCEDRM
C[C@H](OC(=O)c1cnccc1C(=O)[O-])C(=O)N(C)CCC#N	ZINC000827867510	604873022	/nfs/dbraw/zinc/87/30/22/604873022.db2.gz	OVIHSVPKNYUTHH-VIFPVBQESA-N	-1	0	305.290	0.697	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC000037838423	604954904	/nfs/dbraw/zinc/95/49/04/604954904.db2.gz	QOMCVZDBRIMUGQ-UHFFFAOYSA-N	-1	0	308.359	0.324	20	30		DCEDRM
CC#CCNC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000833380528	605007940	/nfs/dbraw/zinc/00/79/40/605007940.db2.gz	IZBRECXORSUGON-JTQLQIEISA-N	-1	0	321.358	0.874	20	30		DCEDRM
CC[C@H](NC(=O)[O-])C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000827532299	605075369	/nfs/dbraw/zinc/07/53/69/605075369.db2.gz	VNQWVTUVZKOVKO-WDEREUQCSA-N	-1	0	305.290	0.674	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN(CCc1ccccc1)CC(=O)[O-]	ZINC000833376575	605245777	/nfs/dbraw/zinc/24/57/77/605245777.db2.gz	HOCUCZLJNYFFDR-UHFFFAOYSA-N	-1	0	319.361	0.628	20	30		DCEDRM
C#CCN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000228410865	605389923	/nfs/dbraw/zinc/38/99/23/605389923.db2.gz	ZWUBOLVTFZASNJ-UHFFFAOYSA-N	-1	0	312.303	0.937	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl	ZINC000833366387	605418022	/nfs/dbraw/zinc/41/80/22/605418022.db2.gz	UWWCSZSKLLYGGJ-UHFFFAOYSA-N	-1	0	317.750	0.966	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC000833366441	605418546	/nfs/dbraw/zinc/41/85/46/605418546.db2.gz	XCQIWOGMRAMOJX-UHFFFAOYSA-N	-1	0	323.370	0.731	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000833366330	605418587	/nfs/dbraw/zinc/41/85/87/605418587.db2.gz	RHYFKHKYLSNVKZ-UHFFFAOYSA-N	-1	0	319.285	0.591	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCN(C(=O)[O-])C2)cn1	ZINC000833977623	605425989	/nfs/dbraw/zinc/42/59/89/605425989.db2.gz	QTJHSIHWOJYRKE-SECBINFHSA-N	-1	0	310.335	0.231	20	30		DCEDRM
N#CCN1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CC1	ZINC000831102642	605435268	/nfs/dbraw/zinc/43/52/68/605435268.db2.gz	PQDCHIAIPCHHLG-NSHDSACASA-N	-1	0	312.395	0.140	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000833966429	605579019	/nfs/dbraw/zinc/57/90/19/605579019.db2.gz	HGYTWWLDSDUZEQ-LBPRGKRZSA-N	-1	0	303.318	1.000	20	30		DCEDRM
N#Cc1cccc([C@H]2CN(C(=O)NCCNC(=O)[O-])CCO2)c1	ZINC000833978328	605649311	/nfs/dbraw/zinc/64/93/11/605649311.db2.gz	JBCQRHLEZNHSQW-CYBMUJFWSA-N	-1	0	318.333	0.909	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])C[C@H]1NCCS(=O)(=O)c1ccccc1	ZINC000833966287	605685467	/nfs/dbraw/zinc/68/54/67/605685467.db2.gz	JGYJOSIXTZPEAB-WCQYABFASA-N	-1	0	323.374	0.552	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])n1	ZINC000831161816	605689250	/nfs/dbraw/zinc/68/92/50/605689250.db2.gz	MYTYZOKLUBRICR-UHFFFAOYSA-N	-1	0	312.289	0.829	20	30		DCEDRM
Cc1onc(CC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)c1C#N	ZINC000833937007	605695267	/nfs/dbraw/zinc/69/52/67/605695267.db2.gz	TZZWJHONIZGNCJ-SNVBAGLBSA-N	-1	0	306.322	0.856	20	30		DCEDRM
C[C@H](NC(=O)[O-])C1CCN(C(=O)Cn2cnc(C#N)n2)CC1	ZINC000825280068	605707356	/nfs/dbraw/zinc/70/73/56/605707356.db2.gz	FCLHWZRETMGKBC-VIFPVBQESA-N	-1	0	306.326	0.044	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)/C=C/c1cncc(O)c1	ZINC000833967243	605734762	/nfs/dbraw/zinc/73/47/62/605734762.db2.gz	QKWVBZUSBOMJOE-GXFZAYBSSA-N	-1	0	302.290	0.515	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cc(C(=O)[O-])no1	ZINC000833465154	605825065	/nfs/dbraw/zinc/82/50/65/605825065.db2.gz	HMAYWKXTQIZOSA-ZDUSSCGKSA-N	-1	0	309.278	0.584	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000833972392	605838000	/nfs/dbraw/zinc/83/80/00/605838000.db2.gz	CQLPJLMUZSGXAD-CHWSQXEVSA-N	-1	0	303.318	0.850	20	30		DCEDRM
O=C([O-])N[C@@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)C1CC1	ZINC000834136332	605994772	/nfs/dbraw/zinc/99/47/72/605994772.db2.gz	DQBFRYOOJZGUSB-LBPRGKRZSA-N	-1	0	316.313	0.929	20	30		DCEDRM
O=C([O-])N[C@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)C1CC1	ZINC000834136331	605994931	/nfs/dbraw/zinc/99/49/31/605994931.db2.gz	DQBFRYOOJZGUSB-GFCCVEGCSA-N	-1	0	316.313	0.929	20	30		DCEDRM
C[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1cccnc1	ZINC000819877099	606051367	/nfs/dbraw/zinc/05/13/67/606051367.db2.gz	OJSQAIBKEQQPGQ-ZETCQYMHSA-N	-1	0	309.293	0.599	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2ccc(-c3nn[nH]n3)s2)c1=O	ZINC000822514734	606369069	/nfs/dbraw/zinc/36/90/69/606369069.db2.gz	HEZVPFPBOXHSAQ-UHFFFAOYSA-N	-1	0	320.363	0.359	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1	ZINC000165944169	657780437	/nfs/dbraw/zinc/78/04/37/657780437.db2.gz	BQIXDBVBTMXPAF-UHFFFAOYSA-N	-1	0	316.766	0.721	20	30		DCEDRM
C=C(Cl)CN(C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000971868935	657930458	/nfs/dbraw/zinc/93/04/58/657930458.db2.gz	IMKIRZISMJCBIP-QMMMGPOBSA-N	-1	0	313.745	0.182	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)/C=C\c2ccccc2C#N)cn1	ZINC000255726844	658492821	/nfs/dbraw/zinc/49/28/21/658492821.db2.gz	ANDFHZYHUQERGC-SREVYHEPSA-N	-1	0	316.342	0.810	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000092479714	658632709	/nfs/dbraw/zinc/63/27/09/658632709.db2.gz	PCQRLIDBNXVKHY-UHFFFAOYSA-N	-1	0	312.303	0.612	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)Cn2nc3ccccn3c2=O)c1	ZINC000179732486	658680553	/nfs/dbraw/zinc/68/05/53/658680553.db2.gz	RKBIARKIGARQIB-UHFFFAOYSA-N	-1	0	309.285	0.712	20	30		DCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)C(COC)COC)CC1	ZINC000893227977	659118330	/nfs/dbraw/zinc/11/83/30/659118330.db2.gz	UDOHGUPPDWGRGM-UHFFFAOYSA-N	-1	0	305.396	0.840	20	30		DCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)N(C)CCC(=O)OCC	ZINC000893423726	659130493	/nfs/dbraw/zinc/13/04/93/659130493.db2.gz	OMCATJJFKADNCN-UHFFFAOYSA-N	-1	0	306.384	0.445	20	30		DCEDRM
C#CCN1CCC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001028261065	661361610	/nfs/dbraw/zinc/36/16/10/661361610.db2.gz	SEZFONCCLOVJHK-SNVBAGLBSA-N	-1	0	300.318	0.756	20	30		DCEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CN(C)C(C)=O)cc1	ZINC000048519044	661924764	/nfs/dbraw/zinc/92/47/64/661924764.db2.gz	BZEZNNGIDIXOQA-UHFFFAOYSA-N	-1	0	300.336	0.819	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)OCC	ZINC000797300788	662471415	/nfs/dbraw/zinc/47/14/15/662471415.db2.gz	NNHPZZKLYDKTPK-ZJUUUORDSA-N	-1	0	307.368	0.365	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1c(C)nn(C(F)F)c1C	ZINC000798201937	662528966	/nfs/dbraw/zinc/52/89/66/662528966.db2.gz	CTCJRAOFKPBEON-UHFFFAOYSA-N	-1	0	319.333	0.907	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1C#N	ZINC000263205769	662656194	/nfs/dbraw/zinc/65/61/94/662656194.db2.gz	MXNFAOWSQDUDSB-BXKDBHETSA-N	-1	0	323.374	0.993	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000729883181	662911426	/nfs/dbraw/zinc/91/14/26/662911426.db2.gz	CQEUUBGXLBXJCX-UHFFFAOYSA-N	-1	0	312.347	0.653	20	30		DCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000729916870	662912802	/nfs/dbraw/zinc/91/28/02/662912802.db2.gz	XAHAJIYPKAEHNQ-UHFFFAOYSA-N	-1	0	311.363	0.638	20	30		DCEDRM
C[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899930015	663201722	/nfs/dbraw/zinc/20/17/22/663201722.db2.gz	NWHUMCDWRZVXAS-CHWSQXEVSA-N	-1	0	314.407	0.906	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](N)Cc2cccc(OC)c2)CC1	ZINC000901059095	663312541	/nfs/dbraw/zinc/31/25/41/663312541.db2.gz	KHEITTUPFCJHOL-CYBMUJFWSA-N	-1	0	324.402	0.730	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@]2(N)C[C@@H](OCC)C2(C)C)CC1	ZINC000901058625	663312631	/nfs/dbraw/zinc/31/26/31/663312631.db2.gz	GFCPFCQBGGNBCV-YGRLFVJLSA-N	-1	0	316.423	0.684	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC000902438884	663414298	/nfs/dbraw/zinc/41/42/98/663414298.db2.gz	ZJFSLKBGPAXIIE-NWDGAFQWSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NC[C@]1(OC)CCSC1)C(=O)[O-]	ZINC000905605614	663565864	/nfs/dbraw/zinc/56/58/64/663565864.db2.gz	SHJRNXKUVCYNDX-ZWNOBZJWSA-N	-1	0	318.395	0.464	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)C[C@H](C)COCC)C1	ZINC000906007275	663595227	/nfs/dbraw/zinc/59/52/27/663595227.db2.gz	ZMKIUMHMCGSVOO-LLVKDONJSA-N	-1	0	305.396	0.952	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1	ZINC000906006657	663595238	/nfs/dbraw/zinc/59/52/38/663595238.db2.gz	CFOIUMAJSQANSG-SNVBAGLBSA-N	-1	0	316.379	0.188	20	30		DCEDRM
C#CCN(C1CC1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000906931199	663652376	/nfs/dbraw/zinc/65/23/76/663652376.db2.gz	BAAWBEATEWVHOS-UHFFFAOYSA-N	-1	0	309.343	0.936	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000907015079	663660422	/nfs/dbraw/zinc/66/04/22/663660422.db2.gz	OOQCRWGIHUPNNW-QMMMGPOBSA-N	-1	0	301.345	0.469	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)C1	ZINC000907127466	663669512	/nfs/dbraw/zinc/66/95/12/663669512.db2.gz	MFJPCYSVGIDUJJ-UHFFFAOYSA-N	-1	0	317.269	0.032	20	30		DCEDRM
C#CCSCCNC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000909051876	663779794	/nfs/dbraw/zinc/77/97/94/663779794.db2.gz	GWRSRZOBGXLJEB-GHMZBOCLSA-N	-1	0	300.380	0.626	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)NC[C@]1(OC)CCOC1)C(=O)[O-]	ZINC000909191248	663786069	/nfs/dbraw/zinc/78/60/69/663786069.db2.gz	RDWCVGRZVKSVAH-BXKDBHETSA-N	-1	0	306.746	0.687	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC)C(=O)[O-]	ZINC000909193774	663786277	/nfs/dbraw/zinc/78/62/77/663786277.db2.gz	LFGMCXXWGRQWOB-NOOOWODRSA-N	-1	0	300.355	0.897	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1C[C@H](OC)C12CCC2)C(=O)[O-]	ZINC000909234496	663788423	/nfs/dbraw/zinc/78/84/23/663788423.db2.gz	SMQDNXHAACWVHA-TUAOUCFPSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1C[C@@H](OC)C12CCC2)C(=O)[O-]	ZINC000909234492	663788431	/nfs/dbraw/zinc/78/84/31/663788431.db2.gz	SMQDNXHAACWVHA-QJPTWQEYSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cn1cnc2ccccc21)C(=O)[O-]	ZINC000909771545	663800195	/nfs/dbraw/zinc/80/01/95/663800195.db2.gz	NWUNTAGVVSCNCT-LBPRGKRZSA-N	-1	0	303.318	0.808	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1	ZINC000909832953	663811474	/nfs/dbraw/zinc/81/14/74/663811474.db2.gz	KAFDFQDEXAJUEL-NSHDSACASA-N	-1	0	305.334	0.783	20	30		DCEDRM
C#CC[C@@H](NC(=O)CN1c2ccccc2O[C@H](C)C1=O)C(=O)[O-]	ZINC000910052354	663837416	/nfs/dbraw/zinc/83/74/16/663837416.db2.gz	VEZVSLHFMBYKJN-GHMZBOCLSA-N	-1	0	316.313	0.393	20	30		DCEDRM
C#CC[C@H](NC(=O)CN(CCc1ccccc1)C(C)=O)C(=O)[O-]	ZINC000910047001	663840566	/nfs/dbraw/zinc/84/05/66/663840566.db2.gz	WQMUARPPDZLPBM-HNNXBMFYSA-N	-1	0	316.357	0.670	20	30		DCEDRM
C#CC[C@H](NC(=O)Cn1nc(C(F)(F)F)cc1C)C(=O)[O-]	ZINC000910050114	663840808	/nfs/dbraw/zinc/84/08/08/663840808.db2.gz	FPAZIYPWPQUYEV-QMMMGPOBSA-N	-1	0	303.240	0.803	20	30		DCEDRM
C=CCN(C(=O)c1ccc(-c2nn[nH]n2)cn1)[C@H](C)COC	ZINC000912313660	664161456	/nfs/dbraw/zinc/16/14/56/664161456.db2.gz	IHJQACUQTFOVRR-SNVBAGLBSA-N	-1	0	302.338	0.925	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn(CCC(C)C)nn1	ZINC000172667743	664623918	/nfs/dbraw/zinc/62/39/18/664623918.db2.gz	OIATYEMRSVBZDG-LLVKDONJSA-N	-1	0	307.354	0.409	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc3c2OCCO3)CC1	ZINC000753944597	664761609	/nfs/dbraw/zinc/76/16/09/664761609.db2.gz	AMBXQERCXSZLPH-UHFFFAOYSA-N	-1	0	322.342	0.821	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(F)cc([N+](=O)[O-])c1	ZINC000731546483	664870233	/nfs/dbraw/zinc/87/02/33/664870233.db2.gz	PNUJCYBWULFCQH-LLVKDONJSA-N	-1	0	309.253	0.819	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)c1[O-]	ZINC000993904615	665017266	/nfs/dbraw/zinc/01/72/66/665017266.db2.gz	HJEXNAICYBQNER-FXPVBKGRSA-N	-1	0	319.365	0.408	20	30		DCEDRM
C[C@@H]1[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CCCN1CC#N	ZINC000993950261	665021590	/nfs/dbraw/zinc/02/15/90/665021590.db2.gz	LWUCOBQYUNKBNO-ZYHUDNBSSA-N	-1	0	314.349	0.129	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C=NOC)cc1	ZINC000916890758	665099399	/nfs/dbraw/zinc/09/93/99/665099399.db2.gz	MDELAQDGNFJOOU-ZDUSSCGKSA-N	-1	0	303.318	0.752	20	30		DCEDRM
C=CCn1cccc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001031732852	665377213	/nfs/dbraw/zinc/37/72/13/665377213.db2.gz	BLOPCMJIOZEEOI-UHFFFAOYSA-N	-1	0	316.365	0.360	20	30		DCEDRM
Cc1nc(C)c(CC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2C)c(=O)[nH]1	ZINC000944890444	666539432	/nfs/dbraw/zinc/53/94/32/666539432.db2.gz	LPOSSCVTRGQDGY-IINYFYTJSA-N	-1	0	317.393	0.692	20	30		DCEDRM
CC1(C)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H]1NCC#N	ZINC000996517677	666812539	/nfs/dbraw/zinc/81/25/39/666812539.db2.gz	GHNVWVKWRKPYSO-NSHDSACASA-N	-1	0	315.333	0.892	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000861326049	666918100	/nfs/dbraw/zinc/91/81/00/666918100.db2.gz	CWDUPZWDBFJITC-MRVPVSSYSA-N	-1	0	316.339	0.736	20	30		DCEDRM
C[C@H](C(=O)N(CC#N)CC(=O)[O-])N1CCc2ccccc2C1	ZINC000736199656	667117026	/nfs/dbraw/zinc/11/70/26/667117026.db2.gz	LCWKRAQFNFHTAM-GFCCVEGCSA-N	-1	0	301.346	0.870	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC(CCn2c(=O)[n-]cc(C#N)c2=O)C1	ZINC000863347699	667133577	/nfs/dbraw/zinc/13/35/77/667133577.db2.gz	ZZFHJRYDWZFNAK-UHFFFAOYSA-N	-1	0	320.349	0.665	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)c(C)c1)C(=O)[O-]	ZINC000863407623	667140111	/nfs/dbraw/zinc/14/01/11/667140111.db2.gz	JSSBHQHXMRIEGT-LBPRGKRZSA-N	-1	0	310.331	0.577	20	30		DCEDRM
CC(C)OC[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000863418801	667141837	/nfs/dbraw/zinc/14/18/37/667141837.db2.gz	GEBBMBACQNQXCF-LBPRGKRZSA-N	-1	0	312.347	0.715	20	30		DCEDRM
C[C@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC[C@H]1NCC#N	ZINC001036260264	667433440	/nfs/dbraw/zinc/43/34/40/667433440.db2.gz	LVVHLTPAECHNMI-VHSXEESVSA-N	-1	0	315.333	0.892	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1	ZINC000737721598	667631286	/nfs/dbraw/zinc/63/12/86/667631286.db2.gz	MQVQICLIVVMHGG-LBPRGKRZSA-N	-1	0	314.305	0.050	20	30		DCEDRM
C#CCO[N-]C(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1	ZINC000869255377	667642278	/nfs/dbraw/zinc/64/22/78/667642278.db2.gz	ZEGQXBOLVMPJQG-UHFFFAOYSA-N	-1	0	309.322	0.433	20	30		DCEDRM
C[C@@H](NC(=O)C(C)(C)C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122579068	667656479	/nfs/dbraw/zinc/65/64/79/667656479.db2.gz	LGRRTTFTMONMAG-ZJUUUORDSA-N	-1	0	304.350	0.862	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)cc(C(=O)OC)c1	ZINC000838787245	667710486	/nfs/dbraw/zinc/71/04/86/667710486.db2.gz	MPNFBDXKWWNQKE-ZDUSSCGKSA-N	-1	0	318.329	0.867	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC000870270186	667726659	/nfs/dbraw/zinc/72/66/59/667726659.db2.gz	RUYNHZRPBMSZDH-NWDGAFQWSA-N	-1	0	300.380	0.799	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2COCCN2CC(F)F)c1	ZINC000870691358	667751990	/nfs/dbraw/zinc/75/19/90/667751990.db2.gz	IXMFDVPGYLJDRP-LBPRGKRZSA-N	-1	0	311.288	0.934	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN(C(C)=O)C2)CC1	ZINC000870834469	667764904	/nfs/dbraw/zinc/76/49/04/667764904.db2.gz	FFBOSFHIENSVPL-GFCCVEGCSA-N	-1	0	300.380	0.410	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1	ZINC000870831733	667765140	/nfs/dbraw/zinc/76/51/40/667765140.db2.gz	CPKXYEIJSRAPQK-GFCCVEGCSA-N	-1	0	321.354	0.933	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCOC[C@H]2OC)CC1	ZINC000870837430	667765303	/nfs/dbraw/zinc/76/53/03/667765303.db2.gz	LISSAKDBHMJLCY-WDEREUQCSA-N	-1	0	303.380	0.593	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)COC)cc1	ZINC000744137157	667821020	/nfs/dbraw/zinc/82/10/20/667821020.db2.gz	MDEBXVXMGVDROU-NSHDSACASA-N	-1	0	311.359	0.793	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)o2)c1	ZINC000747200205	667897173	/nfs/dbraw/zinc/89/71/73/667897173.db2.gz	FQMJIAGLPMNREK-UHFFFAOYSA-N	-1	0	319.298	0.369	20	30		DCEDRM
COCCN1C[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])CC1=O	ZINC000748410849	667926962	/nfs/dbraw/zinc/92/69/62/667926962.db2.gz	RMQGHGDCEQUVCL-NSHDSACASA-N	-1	0	303.318	0.697	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@@H](C(F)(F)F)C2)c(=O)[n-]c1=O	ZINC000888026772	667939275	/nfs/dbraw/zinc/93/92/75/667939275.db2.gz	GVJCWXMOOJBNHN-MRVPVSSYSA-N	-1	0	316.239	0.231	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(CC)c1Br	ZINC000873513953	668087355	/nfs/dbraw/zinc/08/73/55/668087355.db2.gz	GNNYBZHOROAGCA-UHFFFAOYSA-N	-1	0	322.184	0.911	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C(C)C)CC1	ZINC000873530757	668089049	/nfs/dbraw/zinc/08/90/49/668089049.db2.gz	BLHJDNGEIJAYRR-NSHDSACASA-N	-1	0	314.407	0.941	20	30		DCEDRM
C#CCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCCCC1	ZINC000874244719	668160759	/nfs/dbraw/zinc/16/07/59/668160759.db2.gz	MDQPIYOLPDXFDR-UHFFFAOYSA-N	-1	0	314.345	0.615	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1cnn(CC#N)c1	ZINC000760211607	668262987	/nfs/dbraw/zinc/26/29/87/668262987.db2.gz	ISNMVTSDIAUHIP-UHFFFAOYSA-N	-1	0	303.244	0.802	20	30		DCEDRM
CCOCCS(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000761105702	668305624	/nfs/dbraw/zinc/30/56/24/668305624.db2.gz	ZFSKDCIGHJTUOB-UHFFFAOYSA-N	-1	0	310.375	0.778	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000926549326	668411984	/nfs/dbraw/zinc/41/19/84/668411984.db2.gz	JZDPBNMIQPSWEY-GFCCVEGCSA-N	-1	0	309.343	0.336	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)cc1	ZINC000764174348	668436890	/nfs/dbraw/zinc/43/68/90/668436890.db2.gz	SVOPAMSMWKPNQN-LLVKDONJSA-N	-1	0	311.359	0.793	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccnc3c(C(N)=O)cnn32)c1	ZINC000764483504	668449327	/nfs/dbraw/zinc/44/93/27/668449327.db2.gz	FKFRPHVHGMNHAT-UHFFFAOYSA-N	-1	0	322.284	0.658	20	30		DCEDRM
O=C([O-])c1ccc2c(C=NN[C@H]3CCS(=O)(=O)C3)[nH]nc2c1	ZINC000765544707	668499571	/nfs/dbraw/zinc/49/95/71/668499571.db2.gz	VFZOASJEBSAINM-VIFPVBQESA-N	-1	0	322.346	0.372	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C[C@@H](C)OC	ZINC000766980893	668555199	/nfs/dbraw/zinc/55/51/99/668555199.db2.gz	BPYJBPNZLYLFOB-SECBINFHSA-N	-1	0	312.347	0.797	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C(C)(C)OC	ZINC000766975633	668555586	/nfs/dbraw/zinc/55/55/86/668555586.db2.gz	LIIMADXTTZZPNJ-UHFFFAOYSA-N	-1	0	312.347	0.797	20	30		DCEDRM
Cc1ccccc1NC(=S)NN=Cc1cn(CC(=O)[O-])nn1	ZINC000768476567	668611307	/nfs/dbraw/zinc/61/13/07/668611307.db2.gz	PXQYZJUGRXABHX-UHFFFAOYSA-N	-1	0	318.362	0.992	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCNC(=O)c1ccco1	ZINC000770869217	668721004	/nfs/dbraw/zinc/72/10/04/668721004.db2.gz	UNJQJCLFTYVGSW-JTQLQIEISA-N	-1	0	314.301	0.725	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nc(C)n(-c2ccccc2)n1	ZINC000772721639	668782536	/nfs/dbraw/zinc/78/25/36/668782536.db2.gz	VRROETQEHUJREO-UHFFFAOYSA-N	-1	0	306.347	0.821	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)[N-]OC2CCOCC2)c1	ZINC000773640896	668810321	/nfs/dbraw/zinc/81/03/21/668810321.db2.gz	XCJZKGHOUGLQGY-UHFFFAOYSA-N	-1	0	318.329	0.864	20	30		DCEDRM
CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1	ZINC000776139562	668871615	/nfs/dbraw/zinc/87/16/15/668871615.db2.gz	XUIICHGVCRLSHZ-SNVBAGLBSA-N	-1	0	315.395	0.241	20	30		DCEDRM
CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1	ZINC000776146408	668871884	/nfs/dbraw/zinc/87/18/84/668871884.db2.gz	NIERMUIREXHNAW-NSHDSACASA-N	-1	0	315.395	0.241	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCO2	ZINC000776146389	668871899	/nfs/dbraw/zinc/87/18/99/668871899.db2.gz	MTIZIFMBBWJPKN-UHFFFAOYSA-N	-1	0	324.358	0.954	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cccnc1Cl)C(=O)[O-]	ZINC000776586568	668878533	/nfs/dbraw/zinc/87/85/33/668878533.db2.gz	DCUOAWFXZMJBAZ-MRVPVSSYSA-N	-1	0	302.739	0.880	20	30		DCEDRM
C[C@H](NC(=O)CC(C)(C)C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000778705790	668902910	/nfs/dbraw/zinc/90/29/10/668902910.db2.gz	GTSDPNVGLJLCFW-JTQLQIEISA-N	-1	0	317.411	0.677	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2CCOCC2)CCCC1	ZINC000779316229	668909481	/nfs/dbraw/zinc/90/94/81/668909481.db2.gz	QGSXIHFLXOCHJD-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCOC2)CCCC1	ZINC000779316888	668909575	/nfs/dbraw/zinc/90/95/75/668909575.db2.gz	VHKDSBSPNJVQKF-NSHDSACASA-N	-1	0	300.380	0.943	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn(CCOC)nc1C	ZINC000782579296	669106916	/nfs/dbraw/zinc/10/69/16/669106916.db2.gz	KOKAMPGVYRLLKY-GFCCVEGCSA-N	-1	0	322.365	0.313	20	30		DCEDRM
C=CC(C)(C)CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000880830868	669272027	/nfs/dbraw/zinc/27/20/27/669272027.db2.gz	SJNURJLOWHEFOD-UHFFFAOYSA-N	-1	0	302.334	0.806	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000787933224	669412502	/nfs/dbraw/zinc/41/25/02/669412502.db2.gz	HRVYHUSPTRJMIK-GFCCVEGCSA-N	-1	0	310.331	0.410	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC000788345219	669432481	/nfs/dbraw/zinc/43/24/81/669432481.db2.gz	TXBVUPZOFINGBC-NSHDSACASA-N	-1	0	303.318	0.890	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CCN(CC#N)CC2)cc1=O	ZINC000933236901	669476025	/nfs/dbraw/zinc/47/60/25/669476025.db2.gz	OJXJAGHGDDTJCN-UHFFFAOYSA-N	-1	0	305.382	0.043	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccnn1CC(F)F	ZINC000789403074	669490859	/nfs/dbraw/zinc/49/08/59/669490859.db2.gz	PZRWLLHFGUIZDB-SECBINFHSA-N	-1	0	314.292	0.623	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(CC(F)F)n1	ZINC000789404200	669491289	/nfs/dbraw/zinc/49/12/89/669491289.db2.gz	QAOYNIZYGPWXKG-MRVPVSSYSA-N	-1	0	300.265	0.233	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccn(CC(F)F)n1	ZINC000789469333	669497386	/nfs/dbraw/zinc/49/73/86/669497386.db2.gz	LAXIBVGNXVRCQO-UHFFFAOYSA-N	-1	0	320.321	0.758	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]1CCCCO1	ZINC000791110295	669594106	/nfs/dbraw/zinc/59/41/06/669594106.db2.gz	BHHKYQKMOLFNQQ-NWDGAFQWSA-N	-1	0	303.380	0.430	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)NC(=O)C1CCCC1	ZINC000791107491	669594403	/nfs/dbraw/zinc/59/44/03/669594403.db2.gz	GTHAGUUVQVYABD-LLVKDONJSA-N	-1	0	314.407	0.541	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(-n2ccnc2)c1	ZINC000791110290	669594418	/nfs/dbraw/zinc/59/44/18/669594418.db2.gz	BASOUCOMEWFQFE-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000793202280	669707158	/nfs/dbraw/zinc/70/71/58/669707158.db2.gz	ZPBSIWXIHFLXRY-UHFFFAOYSA-N	-1	0	323.330	0.887	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CSCCS2)CC1	ZINC000793204192	669707359	/nfs/dbraw/zinc/70/73/59/669707359.db2.gz	JWMKAQAZILOUQG-MRVPVSSYSA-N	-1	0	306.434	0.585	20	30		DCEDRM
Cn1ncc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)n1	ZINC000793279209	669711505	/nfs/dbraw/zinc/71/15/05/669711505.db2.gz	HXHCZYXEQPOCMR-SNVBAGLBSA-N	-1	0	319.271	0.732	20	30		DCEDRM
C#C[C@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)[C@@H]1CCCO1	ZINC000935459431	669725545	/nfs/dbraw/zinc/72/55/45/669725545.db2.gz	NKHCEDYMSYJEAE-KBPBESRZSA-N	-1	0	305.378	0.672	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000132764480	669746100	/nfs/dbraw/zinc/74/61/00/669746100.db2.gz	PAMNJRZCIZSZRN-UHFFFAOYSA-N	-1	0	323.374	0.428	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](COC)c1ccco1)C(=O)[O-]	ZINC000797721575	669973468	/nfs/dbraw/zinc/97/34/68/669973468.db2.gz	BKVXOEJSZJWPSE-QWRGUYRKSA-N	-1	0	312.322	0.922	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCc1nc(C2CC2)no1)C(=O)[O-]	ZINC000797714287	669973702	/nfs/dbraw/zinc/97/37/02/669973702.db2.gz	GHASQEPLMLSQLJ-SECBINFHSA-N	-1	0	310.310	0.402	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000798036006	669984511	/nfs/dbraw/zinc/98/45/11/669984511.db2.gz	CZQAWJDWZTUPHK-MFKMUULPSA-N	-1	0	317.349	0.169	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(C(=O)N(C)CC)c1	ZINC000798202867	669991923	/nfs/dbraw/zinc/99/19/23/669991923.db2.gz	NHHLRIJLHQRFDA-UHFFFAOYSA-N	-1	0	322.386	0.861	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1c(C)nn(C)c1C	ZINC000798203013	669992042	/nfs/dbraw/zinc/99/20/42/669992042.db2.gz	QLQXPDMKZUVDGD-JTQLQIEISA-N	-1	0	311.407	0.685	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)c2cccc(Cl)c2[O-])CC1	ZINC000867022705	669994455	/nfs/dbraw/zinc/99/44/55/669994455.db2.gz	FJYXYKQTEWDPBD-UHFFFAOYSA-N	-1	0	314.794	0.985	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1	ZINC000191415144	670020665	/nfs/dbraw/zinc/02/06/65/670020665.db2.gz	YXWNMTHUIXRKBI-UHFFFAOYSA-N	-1	0	322.386	0.997	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)C1CCCCC1)n1cnc(C#N)n1	ZINC000798822479	670025991	/nfs/dbraw/zinc/02/59/91/670025991.db2.gz	YOORSFLMPFVECX-VIFPVBQESA-N	-1	0	311.367	0.489	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1)n1cnc(C#N)n1	ZINC000798842118	670026897	/nfs/dbraw/zinc/02/68/97/670026897.db2.gz	SDYALMQAXJTNCG-ZETCQYMHSA-N	-1	0	311.348	0.277	20	30		DCEDRM
Cc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1C#N	ZINC000800552674	670094559	/nfs/dbraw/zinc/09/45/59/670094559.db2.gz	CENQMPDRIBDXSI-UHFFFAOYSA-N	-1	0	309.347	0.062	20	30		DCEDRM
Cn1cccc1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000078777907	670114106	/nfs/dbraw/zinc/11/41/06/670114106.db2.gz	KNBDXKJVIIIFMB-UHFFFAOYSA-N	-1	0	310.335	0.156	20	30		DCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccnc2c1nnn2C	ZINC000802039682	670148977	/nfs/dbraw/zinc/14/89/77/670148977.db2.gz	QYKWTIWAFJEMSQ-NSHDSACASA-N	-1	0	314.349	0.992	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)cc1	ZINC000803005013	670232801	/nfs/dbraw/zinc/23/28/01/670232801.db2.gz	MEPQVFUUWYCLTL-CQSZACIVSA-N	-1	0	322.386	0.973	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000803010747	670233163	/nfs/dbraw/zinc/23/31/63/670233163.db2.gz	LWFSWQLNZOSBBQ-LBPRGKRZSA-N	-1	0	305.396	0.842	20	30		DCEDRM
CC[S@](=O)CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000803476460	670250594	/nfs/dbraw/zinc/25/05/94/670250594.db2.gz	XNPLABLLMFWRQJ-YBYGRFCBSA-N	-1	0	314.388	0.940	20	30		DCEDRM
C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnc([O-])n(C)c1=O	ZINC000804453139	670295243	/nfs/dbraw/zinc/29/52/43/670295243.db2.gz	UMEXWWJWUUNNGQ-ZDUSSCGKSA-N	-1	0	311.341	0.850	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000810521143	670488228	/nfs/dbraw/zinc/48/82/28/670488228.db2.gz	FLMDCXZZFGBOMB-UHFFFAOYSA-N	-1	0	303.343	0.449	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)NC(C)C)cc1	ZINC000810772892	670496544	/nfs/dbraw/zinc/49/65/44/670496544.db2.gz	JLUCPTPKRVTECG-UHFFFAOYSA-N	-1	0	322.386	0.908	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C)[nH]c(C(=O)OC)c1C	ZINC000810770898	670496760	/nfs/dbraw/zinc/49/67/60/670496760.db2.gz	DHDBXOAQIKFYOV-UHFFFAOYSA-N	-1	0	312.347	0.501	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1csc(-c2cnn(C)c2)n1	ZINC000810773909	670496892	/nfs/dbraw/zinc/49/68/92/670496892.db2.gz	IQAMFESFTHLWGC-UHFFFAOYSA-N	-1	0	324.387	0.627	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(Cl)nc(N(C)C)c1	ZINC000810777978	670497203	/nfs/dbraw/zinc/49/72/03/670497203.db2.gz	SSEVXXSJTNIDLH-UHFFFAOYSA-N	-1	0	315.782	0.884	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(OC)ccc1[N+](=O)[O-]	ZINC000810779645	670497462	/nfs/dbraw/zinc/49/74/62/670497462.db2.gz	VXDHQNKKSPGYNO-UHFFFAOYSA-N	-1	0	312.303	0.686	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3nnn(C)c3C2)CC1	ZINC000810983474	670501879	/nfs/dbraw/zinc/50/18/79/670501879.db2.gz	BOQXHEAYWIXQJY-SNVBAGLBSA-N	-1	0	324.406	0.475	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc(N(C)C)c(Cl)c1	ZINC000847623905	670582797	/nfs/dbraw/zinc/58/27/97/670582797.db2.gz	PTIYOZOHZDODIQ-JTQLQIEISA-N	-1	0	324.768	0.886	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1scc2c1OCCO2	ZINC000847623873	670583200	/nfs/dbraw/zinc/58/32/00/670583200.db2.gz	PAEHETUGKJVMMS-MRVPVSSYSA-N	-1	0	310.331	0.604	20	30		DCEDRM
COC(=O)c1cc(C=Nn2c(=O)c(C)n[n-]c2=S)c(C)o1	ZINC000848400690	670678417	/nfs/dbraw/zinc/67/84/17/670678417.db2.gz	MYRSRTWUTMTBGW-UHFFFAOYSA-N	-1	0	308.319	0.806	20	30		DCEDRM
C[C@@H]1CC(N=Nc2nc3[nH][nH]cc-3c(=O)n2)CC[C@@H]1C(=O)[O-]	ZINC000814843245	670704952	/nfs/dbraw/zinc/70/49/52/670704952.db2.gz	PZTCDKIZPXSVMN-SVRRBLITSA-N	-1	0	304.310	0.721	20	30		DCEDRM
COC(=O)COc1ccc(C=NNCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000814960585	670710282	/nfs/dbraw/zinc/71/02/82/670710282.db2.gz	PPTQYJJZEHCYKU-UHFFFAOYSA-N	-1	0	311.250	0.155	20	30		DCEDRM
C=CCCn1cc(COC(=O)c2cc(=O)[n-]c(OC)n2)nn1	ZINC000848742673	670720318	/nfs/dbraw/zinc/72/03/18/670720318.db2.gz	LCFYOUDHCBTVSM-UHFFFAOYSA-N	-1	0	305.294	0.715	20	30		DCEDRM
Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000113650439	670755210	/nfs/dbraw/zinc/75/52/10/670755210.db2.gz	CZQNLPJAPZQOEM-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)CCO2	ZINC000849219600	670766380	/nfs/dbraw/zinc/76/63/80/670766380.db2.gz	QTJKAJVTMZTSGG-UHFFFAOYSA-N	-1	0	323.326	0.360	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000815969983	670775789	/nfs/dbraw/zinc/77/57/89/670775789.db2.gz	MMSTVXLCSNLYLD-UHFFFAOYSA-N	-1	0	306.303	0.510	20	30		DCEDRM
C=CCS(=O)(=O)CCNS(=O)(=O)c1ccccc1[O-]	ZINC000849384978	670785201	/nfs/dbraw/zinc/78/52/01/670785201.db2.gz	DFHDBGIJVQGRDF-UHFFFAOYSA-N	-1	0	305.377	0.271	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC000816201608	670791913	/nfs/dbraw/zinc/79/19/13/670791913.db2.gz	JRZRDCLYZAPXNF-UHFFFAOYSA-N	-1	0	321.305	0.682	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000850786902	670940211	/nfs/dbraw/zinc/94/02/11/670940211.db2.gz	GJTSGKVIFGNFQI-SECBINFHSA-N	-1	0	306.322	0.169	20	30		DCEDRM
C#CCN(C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)C1CC1	ZINC000850788079	670940694	/nfs/dbraw/zinc/94/06/94/670940694.db2.gz	LHBQGHWYXWXNRM-UHFFFAOYSA-N	-1	0	318.333	0.266	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)[O-])[C@H]1CCCO1	ZINC000817880588	670949931	/nfs/dbraw/zinc/94/99/31/670949931.db2.gz	AEBQIJSTLVCLNM-DGCLKSJQSA-N	-1	0	316.313	0.620	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1	ZINC000850922349	670954831	/nfs/dbraw/zinc/95/48/31/670954831.db2.gz	GQPQKJIJKDPJLB-UHFFFAOYSA-N	-1	0	316.379	0.860	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1COC[C@@H]1c1ccccc1	ZINC000851000348	670960194	/nfs/dbraw/zinc/96/01/94/670960194.db2.gz	SNFAXBBGQMDSTK-ZIAGYGMSSA-N	-1	0	307.371	0.886	20	30		DCEDRM
COC1(C(=O)[N-]S(=O)(=O)CCC#N)CCC(F)(F)CC1	ZINC000851015772	670961266	/nfs/dbraw/zinc/96/12/66/670961266.db2.gz	IURFUPXHGDVHSD-UHFFFAOYSA-N	-1	0	310.322	0.941	20	30		DCEDRM
CC(C)(C)OC(=O)[C@H](C(=O)[N-]S(=O)(=O)CCC#N)C1CC1	ZINC000851015248	670961402	/nfs/dbraw/zinc/96/14/02/670961402.db2.gz	BKKZSSNYRAQIBI-JTQLQIEISA-N	-1	0	316.379	0.714	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC000851076595	670965995	/nfs/dbraw/zinc/96/59/95/670965995.db2.gz	OMQQTNOAAJSQHS-SECBINFHSA-N	-1	0	320.334	0.017	20	30		DCEDRM
C=CCCSCCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000851683409	671011934	/nfs/dbraw/zinc/01/19/34/671011934.db2.gz	FQPKSAYILJPVRO-AWEZNQCLSA-N	-1	0	314.407	0.735	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)c1ccccc1[N-]S(=O)(=O)CC	ZINC000820055093	671159349	/nfs/dbraw/zinc/15/93/49/671159349.db2.gz	UXXRNAZPORHYGS-LLVKDONJSA-N	-1	0	310.375	0.562	20	30		DCEDRM
C=CCOCCOC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000859923586	671159728	/nfs/dbraw/zinc/15/97/28/671159728.db2.gz	UXZKZJPMAMJKFE-UHFFFAOYSA-N	-1	0	300.336	0.813	20	30		DCEDRM
CN1C(=O)CCc2cc(C(=O)N[C@H]3CCN(O)C3=O)ccc21	ZINC000820149445	671172293	/nfs/dbraw/zinc/17/22/93/671172293.db2.gz	OZZSDOKRJGOWDX-NSHDSACASA-N	-1	0	303.318	0.316	20	30		DCEDRM
COc1ccc(C[C@@H](C)C(=O)N[C@@H]2CCN(O)C2=O)cc1OC	ZINC000820149737	671172330	/nfs/dbraw/zinc/17/23/30/671172330.db2.gz	RMTZFSIEEFJHHL-ZYHUDNBSSA-N	-1	0	322.361	0.989	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2cnccn2)CCOCC1	ZINC000820263806	671184385	/nfs/dbraw/zinc/18/43/85/671184385.db2.gz	SJBAISBXRDRTOE-UHFFFAOYSA-N	-1	0	311.363	0.654	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)COCC(F)F)c1	ZINC000860514243	671214759	/nfs/dbraw/zinc/21/47/59/671214759.db2.gz	BGJDHXSUOYSSRQ-UHFFFAOYSA-N	-1	0	318.301	0.786	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C	ZINC000860631434	671225531	/nfs/dbraw/zinc/22/55/31/671225531.db2.gz	TUYHEBBZMOLRNU-QWHCGFSZSA-N	-1	0	301.364	0.740	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnn(C3CC3)c2)CCC1	ZINC000860670129	671228394	/nfs/dbraw/zinc/22/83/94/671228394.db2.gz	RPRNQFRASSXHOA-UHFFFAOYSA-N	-1	0	308.363	0.971	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000853344589	671228870	/nfs/dbraw/zinc/22/88/70/671228870.db2.gz	DLXMXQLTBKKIHD-LLVKDONJSA-N	-1	0	312.391	0.086	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C)CC1	ZINC000860771861	671236946	/nfs/dbraw/zinc/23/69/46/671236946.db2.gz	GYGHZKMSSBFYOQ-LLVKDONJSA-N	-1	0	302.396	0.702	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)NC2CC2)cc1	ZINC000821582355	671284321	/nfs/dbraw/zinc/28/43/21/671284321.db2.gz	KRAURVRHKBQLJB-UHFFFAOYSA-N	-1	0	321.358	0.552	20	30		DCEDRM
COC(=O)CCS(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000821597096	671285102	/nfs/dbraw/zinc/28/51/02/671285102.db2.gz	FACVEBIDVLDTRW-UHFFFAOYSA-N	-1	0	310.331	0.375	20	30		DCEDRM
C[C@@H]1CCC[C@H](C)N1C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000824925604	671443992	/nfs/dbraw/zinc/44/39/92/671443992.db2.gz	FTZIQZXZUNYOAM-AOOOYVTPSA-N	-1	0	314.353	0.724	20	30		DCEDRM
C#CCO[N-]C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2	ZINC000825138382	671450555	/nfs/dbraw/zinc/45/05/55/671450555.db2.gz	ZUFFXNAZAMQEKB-UHFFFAOYSA-N	-1	0	303.240	0.656	20	30		DCEDRM
C#C[C@@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)[C@H]1CCCO1	ZINC000831038072	671650969	/nfs/dbraw/zinc/65/09/69/671650969.db2.gz	CRIVEDGIOQELJH-VXGBXAGGSA-N	-1	0	310.350	0.348	20	30		DCEDRM
C#C[C@@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)[C@@H]1CCCO1	ZINC000831038065	671651028	/nfs/dbraw/zinc/65/10/28/671651028.db2.gz	CRIVEDGIOQELJH-NEPJUHHUSA-N	-1	0	310.350	0.348	20	30		DCEDRM
C=C(CO)C(=O)N[C@H](CC(C)C)c1nc(C(=O)OCC)n[nH]1	ZINC000834687458	671776528	/nfs/dbraw/zinc/77/65/28/671776528.db2.gz	SJEATFHOJIBFTL-SNVBAGLBSA-N	-1	0	310.354	0.733	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F	ZINC000835242538	671791510	/nfs/dbraw/zinc/79/15/10/671791510.db2.gz	QNTJLEXHPNZPGV-SECBINFHSA-N	-1	0	317.313	0.949	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1F	ZINC000835321362	671793542	/nfs/dbraw/zinc/79/35/42/671793542.db2.gz	GGJUURQGXCCYNP-MRVPVSSYSA-N	-1	0	303.286	0.808	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(OC(F)F)c1	ZINC000835371788	671794661	/nfs/dbraw/zinc/79/46/61/671794661.db2.gz	NEHQYVSJMDJRGP-UHFFFAOYSA-N	-1	0	304.274	0.766	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)c1ccc2c(c1)OCO2	ZINC000835409584	671795512	/nfs/dbraw/zinc/79/55/12/671795512.db2.gz	JMINPPBVWQDTII-SECBINFHSA-N	-1	0	310.331	0.878	20	30		DCEDRM
C[C@@H]1CCN(c2cc(C(=O)[N-]S(=O)(=O)CCC#N)ccn2)C1	ZINC000835409102	671795650	/nfs/dbraw/zinc/79/56/50/671795650.db2.gz	RLVFVRABJFMARE-LLVKDONJSA-N	-1	0	322.390	0.901	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)OC	ZINC000837931417	671884837	/nfs/dbraw/zinc/88/48/37/671884837.db2.gz	XENYGZFWYLRFJC-LBPRGKRZSA-N	-1	0	324.358	0.353	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)OC	ZINC000841538652	671940778	/nfs/dbraw/zinc/94/07/78/671940778.db2.gz	HWAPKNZFPGWTBE-SNVBAGLBSA-N	-1	0	303.286	0.808	20	30		DCEDRM
COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000842357451	672008497	/nfs/dbraw/zinc/00/84/97/672008497.db2.gz	HBYLLZRPNWMWSB-UHFFFAOYSA-N	-1	0	310.331	0.489	20	30		DCEDRM
C=CCn1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)nn1	ZINC000842684078	672028736	/nfs/dbraw/zinc/02/87/36/672028736.db2.gz	WXTOZSNEESUXSJ-GFCCVEGCSA-N	-1	0	319.365	0.718	20	30		DCEDRM
CCn1cc(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)cn1	ZINC000844815272	672204663	/nfs/dbraw/zinc/20/46/63/672204663.db2.gz	HPYWHQCAAAALPB-UHFFFAOYSA-N	-1	0	311.363	0.392	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1c(C)nn(CC2CC2)c1C	ZINC000845546247	672259533	/nfs/dbraw/zinc/25/95/33/672259533.db2.gz	VEUGNOMHMHLWGO-UHFFFAOYSA-N	-1	0	323.418	0.922	20	30		DCEDRM
C=CCOc1cccc(NC(=O)C(=O)NCC(=O)[N-]OCC)c1	ZINC000846131747	672295871	/nfs/dbraw/zinc/29/58/71/672295871.db2.gz	USNIXUHXADGABC-UHFFFAOYSA-N	-1	0	321.333	0.374	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1	ZINC000846151005	672297339	/nfs/dbraw/zinc/29/73/39/672297339.db2.gz	ROHLKQMDHPAQQJ-UHFFFAOYSA-N	-1	0	313.335	0.048	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1nn(C)cc1C(=O)OCC	ZINC000846154186	672297722	/nfs/dbraw/zinc/29/77/22/672297722.db2.gz	PAMHJOCBZLMFTO-MRVPVSSYSA-N	-1	0	310.310	0.158	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2	ZINC000846155556	672297792	/nfs/dbraw/zinc/29/77/92/672297792.db2.gz	UYJGOKWXQGSTEF-SNVBAGLBSA-N	-1	0	317.345	0.876	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1	ZINC000846151772	672297825	/nfs/dbraw/zinc/29/78/25/672297825.db2.gz	GVFRHCWUBBMOHT-SNVBAGLBSA-N	-1	0	305.334	0.949	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000846542364	672326450	/nfs/dbraw/zinc/32/64/50/672326450.db2.gz	ADNOAGZDUQMNNF-VIFPVBQESA-N	-1	0	321.289	0.943	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC)Nc1nnnn1-c1ccccc1	ZINC000846545089	672326930	/nfs/dbraw/zinc/32/69/30/672326930.db2.gz	MADFFFAWPZGWGN-AAEUAGOBSA-N	-1	0	316.365	0.897	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1	ZINC000846556237	672327200	/nfs/dbraw/zinc/32/72/00/672327200.db2.gz	ZWMJYEVENPMKLX-VIFPVBQESA-N	-1	0	310.310	0.316	20	30		DCEDRM
C=CCOc1ccccc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC000396744375	685270879	/nfs/dbraw/zinc/27/08/79/685270879.db2.gz	KMDNYFOETIUGNR-UHFFFAOYSA-N	-1	0	318.329	0.620	20	30		DCEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)n2cnc(C#N)n2)c(C)o1	ZINC000798849017	685347784	/nfs/dbraw/zinc/34/77/84/685347784.db2.gz	OLWHKTZKOFRMCB-QMMMGPOBSA-N	-1	0	323.334	0.426	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001040127404	694494708	/nfs/dbraw/zinc/49/47/08/694494708.db2.gz	SEGDJQVTDOIWRX-ABAIWWIYSA-N	-1	0	318.381	0.484	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)C#CC2CC2)c1[O-]	ZINC001076165907	695002933	/nfs/dbraw/zinc/00/29/33/695002933.db2.gz	SPQDZBYUYVLEHE-VIFPVBQESA-N	-1	0	304.350	0.462	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1CC	ZINC001691518940	1158161145	/nfs/dbraw/zinc/16/11/45/1158161145.db2.gz	YTPLZYOCIXLXJY-NWDGAFQWSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001571821339	1162943552	/nfs/dbraw/zinc/94/35/52/1162943552.db2.gz	OVIGUNALEZBHQF-GXSJLCMTSA-N	-1	0	322.365	0.039	20	30		DCEDRM
C=CCCC(=O)N1CC(CCO)(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001571882122	1162962682	/nfs/dbraw/zinc/96/26/82/1162962682.db2.gz	RJTPXSUINYXSFJ-UHFFFAOYSA-N	-1	0	322.365	0.083	20	30		DCEDRM
C#CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001565836017	1159904043	/nfs/dbraw/zinc/90/40/43/1159904043.db2.gz	ZIBCWTVWHSUFGW-SNVBAGLBSA-N	-1	0	319.327	0.609	20	30		DCEDRM
N#Cc1cccc(-c2c[nH]c(CNC(=O)CCc3nnn[n-]3)n2)c1	ZINC001566351859	1159972423	/nfs/dbraw/zinc/97/24/23/1159972423.db2.gz	GLUCULPAPABCOG-UHFFFAOYSA-N	-1	0	322.332	0.710	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001567851956	1160500419	/nfs/dbraw/zinc/50/04/19/1160500419.db2.gz	NTXUAVYUGLSTEL-SRVKXCTJSA-N	-1	0	321.381	0.277	20	30		DCEDRM
Cc1c(C(=O)NCCc2n[n-]c(=S)o2)cnn1CCC#N	ZINC001567853163	1160502615	/nfs/dbraw/zinc/50/26/15/1160502615.db2.gz	SMRWAUOTGFJPIR-UHFFFAOYSA-N	-1	0	306.351	0.749	20	30		DCEDRM
C=CCn1cccc1C(=O)NC/C=C/CNC(=O)CNC(=O)[O-]	ZINC001573378698	1163420384	/nfs/dbraw/zinc/42/03/84/1163420384.db2.gz	JKMSMDZEWBDWSF-ONEGZZNKSA-N	-1	0	320.349	0.344	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](CC#N)c1ccccc1)C(=O)[O-]	ZINC001573552231	1163492317	/nfs/dbraw/zinc/49/23/17/1163492317.db2.gz	FHKMEMDJVFASLS-GVXVVHGQSA-N	-1	0	317.345	0.778	20	30		DCEDRM
C[C@]1(C#N)CN(Cc2cnc3c(C(=O)[O-])cnn3c2)CCO1	ZINC001573590122	1163511265	/nfs/dbraw/zinc/51/12/65/1163511265.db2.gz	NGKZLLXSTZLLJM-AWEZNQCLSA-N	-1	0	301.306	0.542	20	30		DCEDRM
C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)c1ccc(C#N)nc1	ZINC001573654354	1163522711	/nfs/dbraw/zinc/52/27/11/1163522711.db2.gz	HVJFPKZIFFZHQZ-SECBINFHSA-N	-1	0	311.301	0.892	20	30		DCEDRM
Cc1c(C(=O)Nc2ncc(C(=O)[O-])n2C)cnn1CCC#N	ZINC001574114778	1163640009	/nfs/dbraw/zinc/64/00/09/1163640009.db2.gz	XSKRUHJNVMSASW-UHFFFAOYSA-N	-1	0	302.294	0.789	20	30		DCEDRM
Cc1cc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)ncc1C#N	ZINC001574141920	1163647608	/nfs/dbraw/zinc/64/76/08/1163647608.db2.gz	WDXZYYHXKSILNI-GHMZBOCLSA-N	-1	0	319.321	0.354	20	30		DCEDRM
N#CCCN1CCN(C(=O)NCc2cc(C(=O)[O-])no2)CC1	ZINC001574242584	1163672324	/nfs/dbraw/zinc/67/23/24/1163672324.db2.gz	WURTXXHDARWOSH-UHFFFAOYSA-N	-1	0	307.310	0.114	20	30		DCEDRM
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1n[nH]cc1C(=O)[O-])C2	ZINC001574249993	1163674292	/nfs/dbraw/zinc/67/42/92/1163674292.db2.gz	QELZUYVCMINJJR-UHFFFAOYSA-N	-1	0	318.314	0.684	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)cc1	ZINC001574249986	1163674830	/nfs/dbraw/zinc/67/48/30/1163674830.db2.gz	PWITYJUYWTWUOI-YPMHNXCESA-N	-1	0	318.333	0.057	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@@H](CO)C(=O)[O-]	ZINC001574677999	1163740608	/nfs/dbraw/zinc/74/06/08/1163740608.db2.gz	JELSFPXXGXKTMX-LBPRGKRZSA-N	-1	0	312.347	0.040	20	30		DCEDRM
C[C@@H](O)C[C@H]1CCCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001575479335	1164030448	/nfs/dbraw/zinc/03/04/48/1164030448.db2.gz	ABOLESRMFGDDDV-NXEZZACHSA-N	-1	0	314.353	0.658	20	30		DCEDRM
CC[C@@H](C)C[C@H](CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001576642851	1164422001	/nfs/dbraw/zinc/42/20/01/1164422001.db2.gz	ZTGAIKQLUYXHRG-RKDXNWHRSA-N	-1	0	302.342	0.737	20	30		DCEDRM
CCn1cnc2c1CCN(c1cnc(C#N)c(-c3nnn[n-]3)n1)C2	ZINC001578802138	1165118919	/nfs/dbraw/zinc/11/89/19/1165118919.db2.gz	YBFGDMWDLCASLJ-UHFFFAOYSA-N	-1	0	322.336	0.307	20	30		DCEDRM
COC(=O)CN(CC(C)C)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579449183	1165314275	/nfs/dbraw/zinc/31/42/75/1165314275.db2.gz	NHXYPTLWKVDXDU-UHFFFAOYSA-N	-1	0	316.325	0.164	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cncc(Cl)c2)[n-]c1-c1nn[nH]n1	ZINC001581860581	1165891860	/nfs/dbraw/zinc/89/18/60/1165891860.db2.gz	IFCSOYGPUHNFGP-UHFFFAOYSA-N	-1	0	315.684	0.762	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1cc(CO)ccc1F	ZINC001581860707	1165892212	/nfs/dbraw/zinc/89/22/12/1165892212.db2.gz	PBJGMDIWTITCGM-UHFFFAOYSA-N	-1	0	314.284	0.197	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H](O)C2CCCCC2)[n-]c1-c1nn[nH]n1	ZINC001581860215	1165893166	/nfs/dbraw/zinc/89/31/66/1165893166.db2.gz	PNCJRJWJTWUZRT-SNVBAGLBSA-N	-1	0	316.325	0.341	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cccc(F)c2-c2nn[nH]n2)[n-]c1C#N	ZINC001581879169	1165898450	/nfs/dbraw/zinc/89/84/50/1165898450.db2.gz	KYWVKPPYZUZLMA-UHFFFAOYSA-N	-1	0	323.251	0.725	20	30		DCEDRM
N#Cc1ncc(N2CCOc3ncccc3C2)nc1-c1nnn[n-]1	ZINC001581882483	1165902029	/nfs/dbraw/zinc/90/20/29/1165902029.db2.gz	AMWYSFMEAVROBM-UHFFFAOYSA-N	-1	0	321.304	0.322	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001584632390	1166344427	/nfs/dbraw/zinc/34/44/27/1166344427.db2.gz	JGQPBOSFOMJYSC-BONVTDFDSA-N	-1	0	322.365	0.082	20	30		DCEDRM
C[C@H]1CC/C(=C/C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001585295757	1166415057	/nfs/dbraw/zinc/41/50/57/1166415057.db2.gz	LLEBNVFHLLEPDR-QBQSQJOESA-N	-1	0	302.334	0.683	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1ccsc1C(=O)OC	ZINC001588419720	1166554570	/nfs/dbraw/zinc/55/45/70/1166554570.db2.gz	CCQGAVPZFRZFJV-UHFFFAOYSA-N	-1	0	310.331	0.493	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1	ZINC001588479661	1166556932	/nfs/dbraw/zinc/55/69/32/1166556932.db2.gz	YIIHLHZYQGSYBO-ZDUSSCGKSA-N	-1	0	319.361	0.331	20	30		DCEDRM
C=CCC(C)(C)C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1	ZINC001588538715	1166560325	/nfs/dbraw/zinc/56/03/25/1166560325.db2.gz	WHMKVOOVTCNJHO-UHFFFAOYSA-N	-1	0	316.369	0.209	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1ccsc1-c1nnn[n-]1	ZINC001588545727	1166562800	/nfs/dbraw/zinc/56/28/00/1166562800.db2.gz	MDGATAGEANJUFJ-ZETCQYMHSA-N	-1	0	315.380	0.144	20	30		DCEDRM
CC#CC[C@@H](CO)Nc1ccc(C(=O)OC)nc1-c1nn[nH]n1	ZINC001588737234	1166580718	/nfs/dbraw/zinc/58/07/18/1166580718.db2.gz	BPNVMPFCVZVQEF-VIFPVBQESA-N	-1	0	316.321	0.235	20	30		DCEDRM
C=CCn1cc(C(=O)NCCc2ccc(-c3nn[nH]n3)cc2)nn1	ZINC001588713342	1166581259	/nfs/dbraw/zinc/58/12/59/1166581259.db2.gz	KGYLKOIBEQBCAD-UHFFFAOYSA-N	-1	0	324.348	0.617	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1nn(C)c(C)c1-c1nn[nH]n1	ZINC001588725819	1166582911	/nfs/dbraw/zinc/58/29/11/1166582911.db2.gz	MFCWSOORNCCARK-BDAKNGLRSA-N	-1	0	303.326	0.438	20	30		DCEDRM
C[C@@H](C#N)N(C1CC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001588933917	1166619917	/nfs/dbraw/zinc/61/99/17/1166619917.db2.gz	BMULBIUULRPTGY-QMMMGPOBSA-N	-1	0	319.350	0.327	20	30		DCEDRM
CCC(CC)(CO)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590428570	1166903665	/nfs/dbraw/zinc/90/36/65/1166903665.db2.gz	LATQQKUDEHXQFP-UHFFFAOYSA-N	-1	0	302.342	0.739	20	30		DCEDRM
CCN(CCC#N)C(=O)Cn1ccc(C)c(-c2nnn[n-]2)c1=O	ZINC001590690737	1166973531	/nfs/dbraw/zinc/97/35/31/1166973531.db2.gz	CYIFAMOIDYYZHB-UHFFFAOYSA-N	-1	0	315.337	0.099	20	30		DCEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cnc1F	ZINC001591933953	1167421548	/nfs/dbraw/zinc/42/15/48/1167421548.db2.gz	DZCFDJYEOQFEHZ-UHFFFAOYSA-N	-1	0	313.256	0.556	20	30		DCEDRM
Cc1ccn(CN2CCC[C@H](CC#N)C2)c(=O)c1-c1nnn[n-]1	ZINC001592268187	1167480159	/nfs/dbraw/zinc/48/01/59/1167480159.db2.gz	YDKDZKBLWZUZFG-GFCCVEGCSA-N	-1	0	313.365	0.920	20	30		DCEDRM
Cc1nnc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)s1	ZINC001592442999	1167525058	/nfs/dbraw/zinc/52/50/58/1167525058.db2.gz	KJKZRWIUPQXSIV-UHFFFAOYSA-N	-1	0	300.311	0.300	20	30		DCEDRM
Cn1ncnc1CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1	ZINC001592607189	1167580970	/nfs/dbraw/zinc/58/09/70/1167580970.db2.gz	WMKYAALDQXHUQH-UHFFFAOYSA-N	-1	0	316.329	0.727	20	30		DCEDRM
N#Cc1ccc(C(=O)Cn2cc(-c3nnn[n-]3)ccc2=O)cc1	ZINC001592690248	1167602198	/nfs/dbraw/zinc/60/21/98/1167602198.db2.gz	PTRXEGRIHZLNJI-UHFFFAOYSA-N	-1	0	306.285	0.783	20	30		DCEDRM
N#Cc1ncc(N2CC[C@@H](O)CC23CCC3)nc1-c1nnn[n-]1	ZINC001592708569	1167606365	/nfs/dbraw/zinc/60/63/65/1167606365.db2.gz	ZUGAVEVQAIBUCJ-SECBINFHSA-N	-1	0	312.337	0.412	20	30		DCEDRM
COC(=O)Cn1cc(C=NNc2ccc(C)c(C(=O)[O-])c2)nn1	ZINC001598875505	1168056654	/nfs/dbraw/zinc/05/66/54/1168056654.db2.gz	FEBVSXFCZFMTCV-UHFFFAOYSA-N	-1	0	317.305	0.904	20	30		DCEDRM
Cc1c(C(=O)O[C@H]2C[C@H](C(=O)[O-])[N@H+](C)C2)cnn1CCC#N	ZINC001600004829	1168088752	/nfs/dbraw/zinc/08/87/52/1168088752.db2.gz	CZSMFVXNGMZHDZ-CMPLNLGQSA-N	-1	0	306.322	0.419	20	30		DCEDRM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@](O)(CC#N)C2)n1	ZINC001600105588	1168120305	/nfs/dbraw/zinc/12/03/05/1168120305.db2.gz	URFPBRAHSTYBMB-CYBMUJFWSA-N	-1	0	306.278	0.851	20	30		DCEDRM
Cc1cc(F)cc(-n2cc(C(=O)N(CC#N)CC(=O)[O-])nn2)c1	ZINC001600229352	1168141107	/nfs/dbraw/zinc/14/11/07/1168141107.db2.gz	XUJHIAKPQCWGAK-UHFFFAOYSA-N	-1	0	317.280	0.765	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCO[C@@](C)(C#N)C2)oc1C(=O)[O-]	ZINC001600295447	1168158180	/nfs/dbraw/zinc/15/81/80/1168158180.db2.gz	XVVQTNHAAAZLSU-LBPRGKRZSA-N	-1	0	314.319	0.589	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)ccc1C#N	ZINC001600710920	1168259287	/nfs/dbraw/zinc/25/92/87/1168259287.db2.gz	WBFOPFASMASLTH-KOLCDFICSA-N	-1	0	316.317	0.522	20	30		DCEDRM
Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001600893325	1168496024	/nfs/dbraw/zinc/49/60/24/1168496024.db2.gz	UFFMHZTWAYZLFH-LBPRGKRZSA-N	-1	0	313.317	0.644	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001600927449	1168510056	/nfs/dbraw/zinc/51/00/56/1168510056.db2.gz	LCWPSSPEXKCQSL-UHFFFAOYSA-N	-1	0	316.317	0.732	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)NCCc2ncc(C(=O)[O-])s2)n1	ZINC001600927331	1168510359	/nfs/dbraw/zinc/51/03/59/1168510359.db2.gz	CRASPYZXWWOACU-UHFFFAOYSA-N	-1	0	320.334	0.811	20	30		DCEDRM
Cn1cc(C(=O)[O-])c(NC(=O)NCC#C[C@@H]2CCCCO2)n1	ZINC001600934708	1168515758	/nfs/dbraw/zinc/51/57/58/1168515758.db2.gz	JUSPACMISONZFA-JTQLQIEISA-N	-1	0	306.322	0.812	20	30		DCEDRM
N#CC1(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)CCOCC1	ZINC001601056033	1168578430	/nfs/dbraw/zinc/57/84/30/1168578430.db2.gz	MMGUTYQSLYYETP-UHFFFAOYSA-N	-1	0	324.358	0.983	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC001601055607	1168578493	/nfs/dbraw/zinc/57/84/93/1168578493.db2.gz	RSVMTJDRIGEIRF-SDDRHHMPSA-N	-1	0	308.334	0.255	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])C1	ZINC001601057519	1168578610	/nfs/dbraw/zinc/57/86/10/1168578610.db2.gz	BEPOCUXIDCOLMR-LBPRGKRZSA-N	-1	0	311.294	0.849	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)c2ccsc2C(=O)[O-])CC1	ZINC001601060532	1168578945	/nfs/dbraw/zinc/57/89/45/1168578945.db2.gz	JLKYBIZQLIWUKU-UHFFFAOYSA-N	-1	0	307.331	0.644	20	30		DCEDRM
N#CCCCCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001601064919	1168579930	/nfs/dbraw/zinc/57/99/30/1168579930.db2.gz	PENNVTVJLKWRDG-HNNXBMFYSA-N	-1	0	309.366	0.458	20	30		DCEDRM
N#CCCCCCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001601065231	1168579986	/nfs/dbraw/zinc/57/99/86/1168579986.db2.gz	XZAHHDJCDVWRJW-INIZCTEOSA-N	-1	0	323.393	0.848	20	30		DCEDRM
N#CCCCOc1cccnc1NC(=O)N1CC(O)(C(=O)[O-])C1	ZINC001601065355	1168580023	/nfs/dbraw/zinc/58/00/23/1168580023.db2.gz	IPTUOCCBWULOFS-UHFFFAOYSA-N	-1	0	320.305	0.427	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])C1	ZINC001601062661	1168580068	/nfs/dbraw/zinc/58/00/68/1168580068.db2.gz	LOKDELYXKJNVKM-UHFFFAOYSA-N	-1	0	314.294	0.173	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1cccc(N2CCCC2=O)c1	ZINC001601069043	1168580562	/nfs/dbraw/zinc/58/05/62/1168580562.db2.gz	FRWZZNICQMCHQI-UHFFFAOYSA-N	-1	0	315.329	0.793	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc2c([nH]c1=O)CCCC2=O	ZINC001601069548	1168580700	/nfs/dbraw/zinc/58/07/00/1168580700.db2.gz	NFIPQLMPUZALQC-UHFFFAOYSA-N	-1	0	303.274	0.357	20	30		DCEDRM
N#CCCN1CCN(C(=O)c2cccc(CC(=O)[O-])c2)CC1	ZINC001601067705	1168580755	/nfs/dbraw/zinc/58/07/55/1168580755.db2.gz	IICUJFNYYZSOIA-UHFFFAOYSA-N	-1	0	301.346	0.985	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1Cc2cc(F)ccc2NC1=O	ZINC001601070955	1168581008	/nfs/dbraw/zinc/58/10/08/1168581008.db2.gz	NASANYYACYFPKY-LLVKDONJSA-N	-1	0	319.292	0.763	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccc2[nH]c(CO)nc2c1	ZINC001601071693	1168581276	/nfs/dbraw/zinc/58/12/76/1168581276.db2.gz	DSQLCNZGUAFSFY-UHFFFAOYSA-N	-1	0	302.290	0.496	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)C[C@@H]1Oc2ccccc2NC1=O	ZINC001601070916	1168581287	/nfs/dbraw/zinc/58/12/87/1168581287.db2.gz	LQHHIRNCKLMGLP-LBPRGKRZSA-N	-1	0	317.301	0.603	20	30		DCEDRM
N#CCN1CCC(NC(=O)CCc2ocnc2C(=O)[O-])CC1	ZINC001601073180	1168581636	/nfs/dbraw/zinc/58/16/36/1168581636.db2.gz	GODUMDPHOKPOTO-UHFFFAOYSA-N	-1	0	306.322	0.410	20	30		DCEDRM
N#CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC001601074431	1168582107	/nfs/dbraw/zinc/58/21/07/1168582107.db2.gz	YCBVIFKAHOVCMT-JTQLQIEISA-N	-1	0	317.301	0.461	20	30		DCEDRM
N#CCN1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001601074686	1168582430	/nfs/dbraw/zinc/58/24/30/1168582430.db2.gz	MKTHZJMBZVNOLL-UHFFFAOYSA-N	-1	0	304.306	0.867	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)NCc1nc(C(=O)[O-])co1	ZINC001601078741	1168583191	/nfs/dbraw/zinc/58/31/91/1168583191.db2.gz	YOLGILQCGXAFLU-UHFFFAOYSA-N	-1	0	321.314	0.917	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)s1	ZINC001601091898	1168584117	/nfs/dbraw/zinc/58/41/17/1168584117.db2.gz	DIXBWNLUDOEGMA-MRVPVSSYSA-N	-1	0	317.330	0.997	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)NCC(=O)[O-])ccc1Br	ZINC001601091020	1168584267	/nfs/dbraw/zinc/58/42/67/1168584267.db2.gz	HJUCMUFWJVAGNF-UHFFFAOYSA-N	-1	0	319.136	0.684	20	30		DCEDRM
N#Cc1ccc([C@H](C(N)=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1	ZINC001601095208	1168584705	/nfs/dbraw/zinc/58/47/05/1168584705.db2.gz	KMUHWONGIVDXMM-KGLIPLIRSA-N	-1	0	317.345	0.242	20	30		DCEDRM
N#Cc1ccc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)s1	ZINC001601094569	1168584931	/nfs/dbraw/zinc/58/49/31/1168584931.db2.gz	NNOCAZSBBGLDSR-VIFPVBQESA-N	-1	0	308.315	0.852	20	30		DCEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](CF)C(=O)[O-])c1	ZINC001601103589	1168585389	/nfs/dbraw/zinc/58/53/89/1168585389.db2.gz	IZXOZNCUWKWKCI-QMMMGPOBSA-N	-1	0	306.702	0.913	20	30		DCEDRM
N#Cc1ccc(N2CCN(c3cncc(C(=O)[O-])n3)CC2)nc1	ZINC001601106445	1168585994	/nfs/dbraw/zinc/58/59/94/1168585994.db2.gz	UKKQESKDTPKHBK-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1ccc(N2CCN(c3ncc(C(=O)[O-])cn3)CC2)cn1	ZINC001601106221	1168586282	/nfs/dbraw/zinc/58/62/82/1168586282.db2.gz	RIQSBFIOQYRLKO-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1ccc(N[C@@H]2CCCN(C(=O)COCC(=O)[O-])C2)nc1	ZINC001601108570	1168586456	/nfs/dbraw/zinc/58/64/56/1168586456.db2.gz	QYFDJKVKWNKYMD-GFCCVEGCSA-N	-1	0	318.333	0.457	20	30		DCEDRM
N#Cc1ccc(N2CCN(Cc3oncc3C(=O)[O-])CC2)cn1	ZINC001601106026	1168586475	/nfs/dbraw/zinc/58/64/75/1168586475.db2.gz	MGFNXUWOIKHFML-UHFFFAOYSA-N	-1	0	313.317	0.962	20	30		DCEDRM
N#Cc1ccc2ncc(CN3CC(n4cc(C(=O)[O-])nn4)C3)n2c1	ZINC001601116251	1168587772	/nfs/dbraw/zinc/58/77/72/1168587772.db2.gz	QROBZCVEASZIFX-UHFFFAOYSA-N	-1	0	323.316	0.553	20	30		DCEDRM
N#Cc1cccc(ON2C(=O)[C@H]3CC[C@@H](C(=O)[O-])CN3C2=O)c1	ZINC001601123751	1168588371	/nfs/dbraw/zinc/58/83/71/1168588371.db2.gz	RHSMUCXJTJRJKX-ZYHUDNBSSA-N	-1	0	315.285	0.979	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1	ZINC001601121824	1168588398	/nfs/dbraw/zinc/58/83/98/1168588398.db2.gz	YWARTGZMRHLKBN-VXGBXAGGSA-N	-1	0	310.331	0.157	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC001601133616	1168592299	/nfs/dbraw/zinc/59/22/99/1168592299.db2.gz	UDUANWQQBBNUPR-ZJUUUORDSA-N	-1	0	321.358	0.807	20	30		DCEDRM
N#Cc1cnccc1N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001601131660	1168592919	/nfs/dbraw/zinc/59/29/19/1168592919.db2.gz	KSSKVXVVDWBBOI-NEPJUHHUSA-N	-1	0	300.318	0.323	20	30		DCEDRM
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC001602196589	1169023406	/nfs/dbraw/zinc/02/34/06/1169023406.db2.gz	LTSPEEJCMQYPFM-QWRGUYRKSA-N	-1	0	305.261	0.790	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)[C@H]1CCCO1	ZINC001602678579	1169157033	/nfs/dbraw/zinc/15/70/33/1169157033.db2.gz	NMLSFZMNEKAAQI-WDEREUQCSA-N	-1	0	313.331	0.745	20	30		DCEDRM
C#CCC(C)(C)c1nnc(N2CC[C@](OC)(C(=O)[O-])C2)n1C	ZINC001602682161	1169157176	/nfs/dbraw/zinc/15/71/76/1169157176.db2.gz	ZOTOVBOBEJBOLZ-OAHLLOKOSA-N	-1	0	306.366	0.796	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCCN(C)C(=O)c1ccncc1)C(=O)[O-]	ZINC001602687078	1169158345	/nfs/dbraw/zinc/15/83/45/1169158345.db2.gz	HJLZYMOVFYACOH-CYBMUJFWSA-N	-1	0	317.345	0.527	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC001602683052	1169158393	/nfs/dbraw/zinc/15/83/93/1169158393.db2.gz	IRGLCCKSOYYIIH-SECBINFHSA-N	-1	0	324.358	0.929	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cn(C)nc1-c1cnn(CC)c1)C(=O)[O-]	ZINC001602693410	1169162463	/nfs/dbraw/zinc/16/24/63/1169162463.db2.gz	SIEAKXKIVBCTCA-LBPRGKRZSA-N	-1	0	315.333	0.510	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)Cc1noc2c1CCCC2)C(=O)[O-]	ZINC001602698664	1169164847	/nfs/dbraw/zinc/16/48/47/1169164847.db2.gz	PUJUUEOTIZDKGH-SNVBAGLBSA-N	-1	0	312.347	0.449	20	30		DCEDRM
C#CCCCCC(=O)NCCNc1ccc(-c2nn[nH]n2)nn1	ZINC001602709792	1169165737	/nfs/dbraw/zinc/16/57/37/1169165737.db2.gz	JOAUXQUVJLDVFA-UHFFFAOYSA-N	-1	0	314.353	0.378	20	30		DCEDRM
C#CC[C@H]1NC(=O)N(c2ccc3cnn(CC(=O)[O-])c3c2)C1=O	ZINC001602701808	1169166001	/nfs/dbraw/zinc/16/60/01/1169166001.db2.gz	YDOXAVCNYJXKMC-LLVKDONJSA-N	-1	0	312.285	0.569	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001602701672	1169166169	/nfs/dbraw/zinc/16/61/69/1169166169.db2.gz	SETODDMHANCVFY-LLVKDONJSA-N	-1	0	308.338	0.599	20	30		DCEDRM
C#CCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CCN(C(=O)C2CC2)CC1	ZINC001602711367	1169166205	/nfs/dbraw/zinc/16/62/05/1169166205.db2.gz	FNXCBZWDWMJSNZ-KBPBESRZSA-N	-1	0	318.373	0.570	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1sc(C)cc1C(=O)[O-]	ZINC001602715527	1169168683	/nfs/dbraw/zinc/16/86/83/1169168683.db2.gz	LOGISXDEFSVTPH-UHFFFAOYSA-N	-1	0	304.327	0.788	20	30		DCEDRM
C#CCN(Cc1ncc(C(=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1	ZINC001602720868	1169170723	/nfs/dbraw/zinc/17/07/23/1169170723.db2.gz	KATIGNCLJWJFEV-SECBINFHSA-N	-1	0	314.388	0.464	20	30		DCEDRM
C#CCO[C@H](C)C(=O)O[C@@H]1C[C@H](C(=O)[O-])C[C@H](C(=O)OC)C1	ZINC001602725725	1169171696	/nfs/dbraw/zinc/17/16/96/1169171696.db2.gz	GNAYFDQPGCTTQG-WISYIIOYSA-N	-1	0	312.318	0.610	20	30		DCEDRM
C#CCOCCN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O	ZINC001602728344	1169175176	/nfs/dbraw/zinc/17/51/76/1169175176.db2.gz	RTNYAFGSWMMDKW-UHFFFAOYSA-N	-1	0	302.286	0.803	20	30		DCEDRM
C#C[C@H]1CC[C@H](n2nnnc2N2C[C@H](C)O[C@H](C(=O)[O-])C2)CC1	ZINC001602739476	1169176058	/nfs/dbraw/zinc/17/60/58/1169176058.db2.gz	GCOQSNQAFPDLMG-CYDGBPFRSA-N	-1	0	319.365	0.716	20	30		DCEDRM
C#Cc1ccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])nc1	ZINC001602739371	1169176631	/nfs/dbraw/zinc/17/66/31/1169176631.db2.gz	FOKLOCXHKDAFNT-ZDUSSCGKSA-N	-1	0	317.345	0.408	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC001602746616	1169177500	/nfs/dbraw/zinc/17/75/00/1169177500.db2.gz	DQVBNCQDCUKEAL-MNOVXSKESA-N	-1	0	303.380	0.689	20	30		DCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001602750510	1169179311	/nfs/dbraw/zinc/17/93/11/1169179311.db2.gz	UGYNVJYRYXAZGG-VIFPVBQESA-N	-1	0	300.336	0.385	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCS(=O)(=O)c1ccccc1	ZINC001602784503	1169182529	/nfs/dbraw/zinc/18/25/29/1169182529.db2.gz	TZCWCZOOSMPJDG-UHFFFAOYSA-N	-1	0	311.359	0.998	20	30		DCEDRM
C=CC(C)(C)C(=O)N(CCO)CCNc1ncc(C(=O)[O-])cn1	ZINC001602805594	1169185761	/nfs/dbraw/zinc/18/57/61/1169185761.db2.gz	CFHZULLOESMYGL-UHFFFAOYSA-N	-1	0	322.365	0.620	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC/C=C\CNc1ccnc(C(=O)[O-])n1	ZINC001602810429	1169186934	/nfs/dbraw/zinc/18/69/34/1169186934.db2.gz	YBFPNSBQHBFNKU-FOSCPCJNSA-N	-1	0	320.349	0.008	20	30		DCEDRM
C=CCC1(O)CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1	ZINC001602851506	1169192865	/nfs/dbraw/zinc/19/28/65/1169192865.db2.gz	OYUPHQAGBODALD-UHFFFAOYSA-N	-1	0	303.380	0.727	20	30		DCEDRM
C=CCCO[N-]C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001602846602	1169193078	/nfs/dbraw/zinc/19/30/78/1169193078.db2.gz	RHDMMNRVSOZXKC-UHFFFAOYSA-N	-1	0	316.321	0.220	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O)C(=O)[O-]	ZINC001602864212	1169196229	/nfs/dbraw/zinc/19/62/29/1169196229.db2.gz	ZAQCTUSXFGFDLU-ADEWGFFLSA-N	-1	0	312.366	0.188	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC001602880347	1169198711	/nfs/dbraw/zinc/19/87/11/1169198711.db2.gz	LGLOPGAUGPTCGJ-MNOVXSKESA-N	-1	0	319.379	0.621	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@H]1CNc1ncc(C(=O)[O-])cn1	ZINC001602906671	1169201269	/nfs/dbraw/zinc/20/12/69/1169201269.db2.gz	KHRNDMXVVNYUTL-LBPRGKRZSA-N	-1	0	320.349	0.780	20	30		DCEDRM
C=CCN1CC[C@@H]([N@H+]2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)C1=O	ZINC001602898770	1169201510	/nfs/dbraw/zinc/20/15/10/1169201510.db2.gz	XUVQHBPSFOWKHR-YZUGKSJVSA-N	-1	0	322.361	0.271	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1nnc2ccccc2n1)C(=O)[O-]	ZINC001602915627	1169204602	/nfs/dbraw/zinc/20/46/02/1169204602.db2.gz	YGWTWJMFOSSMNU-LLVKDONJSA-N	-1	0	302.290	0.410	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-]	ZINC001602915346	1169204680	/nfs/dbraw/zinc/20/46/80/1169204680.db2.gz	LBVAGZVFGFBHQT-ZETCQYMHSA-N	-1	0	323.758	0.008	20	30		DCEDRM
C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC001602945619	1169215873	/nfs/dbraw/zinc/21/58/73/1169215873.db2.gz	YTJMWGKTPGKNCW-LLVKDONJSA-N	-1	0	306.318	0.305	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC001602945729	1169217091	/nfs/dbraw/zinc/21/70/91/1169217091.db2.gz	KKYIDGUDBFXJOS-JTQLQIEISA-N	-1	0	315.322	0.577	20	30		DCEDRM
CC#CCCCC(=O)NCC1(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001602947203	1169217967	/nfs/dbraw/zinc/21/79/67/1169217967.db2.gz	RJXRQGNSRADCBO-RYUDHWBXSA-N	-1	0	306.362	0.666	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[nH]n2)C1	ZINC001602983925	1169224476	/nfs/dbraw/zinc/22/44/76/1169224476.db2.gz	OKYNLYJXZVRCFZ-GUBZILKMSA-N	-1	0	312.337	0.480	20	30		DCEDRM
CC(=O)N1C[C@H]2CN(c3ccc(C(=O)[O-])nc3C#N)C[C@H]2C1	ZINC001603030589	1169234059	/nfs/dbraw/zinc/23/40/59/1169234059.db2.gz	NJESGECNOVKENV-PHIMTYICSA-N	-1	0	300.318	0.566	20	30		DCEDRM
C[C@H](C#N)C(=O)NCCCN(c1ccnc(C(=O)[O-])n1)C1CC1	ZINC001603129921	1169249967	/nfs/dbraw/zinc/24/99/67/1169249967.db2.gz	PHOGIQJCILNQIC-SNVBAGLBSA-N	-1	0	317.349	0.810	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001603129479	1169251064	/nfs/dbraw/zinc/25/10/64/1169251064.db2.gz	IKQVSBKWHPJPEK-JTQLQIEISA-N	-1	0	303.322	0.373	20	30		DCEDRM
C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1)n1cnc(C#N)n1	ZINC001603154097	1169258105	/nfs/dbraw/zinc/25/81/05/1169258105.db2.gz	XSGRJPAFLXPGJF-PELKAZGASA-N	-1	0	315.289	0.358	20	30		DCEDRM
C[C@@H](CC#N)C(=O)Nc1nc2n(c1-c1nn[nH]n1)CCS2	ZINC001603441588	1169306810	/nfs/dbraw/zinc/30/68/10/1169306810.db2.gz	AIKUHRIFQRIOOP-LURJTMIESA-N	-1	0	304.339	0.657	20	30		DCEDRM
CC[C@H](NN=Cc1ccc(OC)c(-c2nn[nH]n2)c1)C(=O)[O-]	ZINC001604061030	1169483899	/nfs/dbraw/zinc/48/38/99/1169483899.db2.gz	JIYZHWIQXPUDDY-JTQLQIEISA-N	-1	0	304.310	0.662	20	30		DCEDRM
CC[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@@H](C)O1	ZINC001604112703	1169495154	/nfs/dbraw/zinc/49/51/54/1169495154.db2.gz	YWLWVMIVYVZJJP-BDAKNGLRSA-N	-1	0	300.326	0.532	20	30		DCEDRM
CC1(C#N)CCN(C(=O)C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CC1	ZINC001604483829	1169600513	/nfs/dbraw/zinc/60/05/13/1169600513.db2.gz	YWQHEFDCLBJXTB-NEPJUHHUSA-N	-1	0	321.377	0.898	20	30		DCEDRM
CC1(C)CCCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)[C@H]1C#N	ZINC001604536337	1169610704	/nfs/dbraw/zinc/61/07/04/1169610704.db2.gz	WQTSAEATYQSUOZ-NEPJUHHUSA-N	-1	0	321.377	0.850	20	30		DCEDRM
CC[C@@H](C)[C@@H](C(=O)[O-])N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC001604923875	1169744937	/nfs/dbraw/zinc/74/49/37/1169744937.db2.gz	PRMJPRUNGYZSBV-MPPDQPJWSA-N	-1	0	300.380	0.356	20	30		DCEDRM
COC(=O)c1coc(Cn2c(C)nc(-c3nnn[n-]3)c2C#N)c1	ZINC001604990662	1169771436	/nfs/dbraw/zinc/77/14/36/1169771436.db2.gz	XCZPLWDASCCZAL-UHFFFAOYSA-N	-1	0	313.277	0.671	20	30		DCEDRM
CC[C@H](CNC(=O)C#CC(C)(C)C)Nc1ccnc(C(=O)[O-])n1	ZINC001605024184	1169785235	/nfs/dbraw/zinc/78/52/35/1169785235.db2.gz	TVJHKDUYUVFXPA-LLVKDONJSA-N	-1	0	318.377	0.953	20	30		DCEDRM
CC[C@H](C(=O)N(CC#N)CCC(=O)[O-])N1CCO[C@H](CC)C1	ZINC001605172991	1169856063	/nfs/dbraw/zinc/85/60/63/1169856063.db2.gz	JJNLLKDVYBDLNK-CHWSQXEVSA-N	-1	0	311.382	0.703	20	30		DCEDRM
Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)NCC(C)(C)C	ZINC001606023869	1170055399	/nfs/dbraw/zinc/05/53/99/1170055399.db2.gz	LLBRZSMGFBJCHS-UHFFFAOYSA-N	-1	0	302.342	0.406	20	30		DCEDRM
CN1CC[C@H](C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1=O	ZINC001606212061	1170117102	/nfs/dbraw/zinc/11/71/02/1170117102.db2.gz	JMWJUCMWFRZODE-RYUDHWBXSA-N	-1	0	302.286	0.705	20	30		DCEDRM
N#CC1(NC(=O)c2ccn(-c3cccc(-c4nn[nH]n4)c3)n2)CC1	ZINC001606344366	1170163066	/nfs/dbraw/zinc/16/30/66/1170163066.db2.gz	JVUWJFGXQSNCQT-UHFFFAOYSA-N	-1	0	320.316	0.838	20	30		DCEDRM
N#CC1(CNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)CCC1	ZINC001606342468	1170163625	/nfs/dbraw/zinc/16/36/25/1170163625.db2.gz	AAZVMOKAYDCAOM-UHFFFAOYSA-N	-1	0	312.337	0.484	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CCC[C@H](F)C2)[n-]c1-c1nn[nH]n1	ZINC001606354868	1170167556	/nfs/dbraw/zinc/16/75/56/1170167556.db2.gz	WASKDHIIERTLOL-BQBZGAKWSA-N	-1	0	304.289	0.928	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(C#N)cn2C)C1	ZINC001606391407	1170180866	/nfs/dbraw/zinc/18/08/66/1170180866.db2.gz	HMCWNVYYVTUQOD-WDEREUQCSA-N	-1	0	319.317	0.375	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC001606463654	1170214743	/nfs/dbraw/zinc/21/47/43/1170214743.db2.gz	CXZAOMWIDNONLX-NSHDSACASA-N	-1	0	318.329	0.823	20	30		DCEDRM
COCC[C@@](C)(C#N)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC001606851138	1170314240	/nfs/dbraw/zinc/31/42/40/1170314240.db2.gz	FXWCKFXRWAGFIY-NSHDSACASA-N	-1	0	302.308	0.575	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC001606885003	1170321687	/nfs/dbraw/zinc/32/16/87/1170321687.db2.gz	WUPZAPGYDLHIHR-UHFFFAOYSA-N	-1	0	318.395	0.822	20	30		DCEDRM
COCc1cc(C(=O)[O-])cc(S(=O)(=O)NC2(C#N)CC2)c1	ZINC001606941886	1170336389	/nfs/dbraw/zinc/33/63/89/1170336389.db2.gz	FVLXETCTPNAYPH-UHFFFAOYSA-N	-1	0	310.331	0.866	20	30		DCEDRM
COc1cccc(C2=NO[C@H](C(=O)N(CC#N)CC(=O)[O-])C2)c1	ZINC001607315206	1170426306	/nfs/dbraw/zinc/42/63/06/1170426306.db2.gz	AKUJQEZHGWMFNG-ZDUSSCGKSA-N	-1	0	317.301	0.625	20	30		DCEDRM
CS(=O)(=O)[C@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1	ZINC001607367218	1170438531	/nfs/dbraw/zinc/43/85/31/1170438531.db2.gz	KQTOXUWPKWBSKV-NSHDSACASA-N	-1	0	308.359	0.875	20	30		DCEDRM
CS(=O)(=O)Cc1ccc(C(=O)N(CC#N)CCC(=O)[O-])cc1	ZINC001607369967	1170439666	/nfs/dbraw/zinc/43/96/66/1170439666.db2.gz	JJRJSFKXHGPMHE-UHFFFAOYSA-N	-1	0	324.358	0.672	20	30		DCEDRM
Cc1cc(=O)cc(C)n1CCCC(=O)N(CC#N)CC(=O)[O-]	ZINC001607560435	1170476888	/nfs/dbraw/zinc/47/68/88/1170476888.db2.gz	NMOUVAXRYGWJNI-UHFFFAOYSA-N	-1	0	305.334	0.682	20	30		DCEDRM
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])ncc1C#N	ZINC001607571290	1170478904	/nfs/dbraw/zinc/47/89/04/1170478904.db2.gz	FQRQNOABBXBNMI-GFCCVEGCSA-N	-1	0	316.317	0.067	20	30		DCEDRM
Cc1nc(C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)ccc1C#N	ZINC001607949450	1170531493	/nfs/dbraw/zinc/53/14/93/1170531493.db2.gz	PGEMVPGMJSNEHL-VIFPVBQESA-N	-1	0	315.289	0.856	20	30		DCEDRM
Cc1nc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)ccc1C#N	ZINC001607962042	1170535574	/nfs/dbraw/zinc/53/55/74/1170535574.db2.gz	LZVRWYINFNNSHL-OLZOCXBDSA-N	-1	0	314.345	0.631	20	30		DCEDRM
Cn1cc(S(=O)(=O)NCc2cncc(C#N)c2)cc1C(=O)[O-]	ZINC001608121452	1170582384	/nfs/dbraw/zinc/58/23/84/1170582384.db2.gz	BIXUIESWZPPOHQ-UHFFFAOYSA-N	-1	0	320.330	0.468	20	30		DCEDRM
Cn1ncc(C(=O)[O-])c1NC(=O)NCC#C[C@@H]1CCCCO1	ZINC001608154989	1170599083	/nfs/dbraw/zinc/59/90/83/1170599083.db2.gz	ACECBWPMIKXLME-JTQLQIEISA-N	-1	0	306.322	0.812	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])CC1	ZINC001608175728	1170609064	/nfs/dbraw/zinc/60/90/64/1170609064.db2.gz	MJWWJPVYLQXZMW-WDEREUQCSA-N	-1	0	316.379	0.479	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])C1	ZINC001608176211	1170609112	/nfs/dbraw/zinc/60/91/12/1170609112.db2.gz	XDZATKVLZBOCQF-LBPRGKRZSA-N	-1	0	311.294	0.849	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1	ZINC001608182069	1170611663	/nfs/dbraw/zinc/61/16/63/1170611663.db2.gz	SFMSTTDZBAVCRE-AWEZNQCLSA-N	-1	0	324.358	0.353	20	30		DCEDRM
N#CCN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1ccccc1	ZINC001608182760	1170611695	/nfs/dbraw/zinc/61/16/95/1170611695.db2.gz	BAFPMSKOYCDSON-CYBMUJFWSA-N	-1	0	315.329	0.866	20	30		DCEDRM
N#CCCN(Cc1ccccn1)S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001608184538	1170611895	/nfs/dbraw/zinc/61/18/95/1170611895.db2.gz	PUXYLOQJYXHJMY-UHFFFAOYSA-N	-1	0	323.374	0.992	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)cc1O	ZINC001608198906	1170613891	/nfs/dbraw/zinc/61/38/91/1170613891.db2.gz	IWZQLDGRCPDFEG-UHFFFAOYSA-N	-1	0	312.285	0.925	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CC(=O)c2ccc(O)c(O)c2)c1=O	ZINC001608196265	1170614126	/nfs/dbraw/zinc/61/41/26/1170614126.db2.gz	SKIBKLYZGCJUGR-UHFFFAOYSA-N	-1	0	314.253	0.712	20	30		DCEDRM
N#Cc1ccc(C(=O)NCCC(=O)NCCC(=O)[O-])c(F)c1	ZINC001608200345	1170615236	/nfs/dbraw/zinc/61/52/36/1170615236.db2.gz	HOBGJVZNLCHDEK-UHFFFAOYSA-N	-1	0	307.281	0.408	20	30		DCEDRM
N#Cc1ccc(CSCC(=O)OCC(=O)NCC(=O)[O-])cc1	ZINC001608206549	1170615428	/nfs/dbraw/zinc/61/54/28/1170615428.db2.gz	ZBTCLBXMRRWKAE-UHFFFAOYSA-N	-1	0	322.342	0.535	20	30		DCEDRM
N#Cc1cccc(C(=O)NC[C@H](O)C(=O)[O-])c1Br	ZINC001608214489	1170617198	/nfs/dbraw/zinc/61/71/98/1170617198.db2.gz	BJQLSNQCUTWQNT-QMMMGPOBSA-N	-1	0	313.107	0.496	20	30		DCEDRM
N#Cc1ccc2c(n1)CCCN2C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001608214671	1170617655	/nfs/dbraw/zinc/61/76/55/1170617655.db2.gz	RUFWUUAPWIIQJW-OLZOCXBDSA-N	-1	0	301.302	0.865	20	30		DCEDRM
N#Cc1ccnc(N2CCN(c3ncc(C(=O)[O-])cn3)CC2)c1	ZINC001608220871	1170618448	/nfs/dbraw/zinc/61/84/48/1170618448.db2.gz	NXKGGMQGQSWRLG-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCC[C@@H](CS(N)(=O)=O)C1	ZINC001608223886	1170619516	/nfs/dbraw/zinc/61/95/16/1170619516.db2.gz	LVZFNLKCFZJKQT-SECBINFHSA-N	-1	0	324.362	0.156	20	30		DCEDRM
N#Cc1ccsc1NC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001608223517	1170619708	/nfs/dbraw/zinc/61/97/08/1170619708.db2.gz	XLMXPYBOQOINIY-UHFFFAOYSA-N	-1	0	306.307	0.731	20	30		DCEDRM
N#Cc1cnc(NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCC2)cn1	ZINC001608223223	1170619879	/nfs/dbraw/zinc/61/98/79/1170619879.db2.gz	WBNDJELSCUXQHS-GHMZBOCLSA-N	-1	0	315.333	0.520	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001609019081	1170785056	/nfs/dbraw/zinc/78/50/56/1170785056.db2.gz	MTGQUNYPQMQTQI-MRVPVSSYSA-N	-1	0	316.296	0.424	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)C(=O)[O-]	ZINC001609076210	1170800746	/nfs/dbraw/zinc/80/07/46/1170800746.db2.gz	FNVCBTPOWORCDL-YUMQZZPRSA-N	-1	0	306.240	0.132	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001609078666	1170802848	/nfs/dbraw/zinc/80/28/48/1170802848.db2.gz	BKBBHRBBPMJACY-JTQLQIEISA-N	-1	0	306.274	0.739	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC001609105284	1170811899	/nfs/dbraw/zinc/81/18/99/1170811899.db2.gz	RZODKNSXGTXDPQ-GFCCVEGCSA-N	-1	0	311.359	0.366	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NC(C)C[C@@H]2CCC(=O)N2)o1	ZINC001609110048	1170811984	/nfs/dbraw/zinc/81/19/84/1170811984.db2.gz	IEWIUGZRVJFQDL-QMMMGPOBSA-N	-1	0	304.314	0.620	20	30		DCEDRM
C#CCCS(=O)(=O)NC1(C(=O)[O-])CCC(C(=O)OC)CC1	ZINC001609137164	1170823457	/nfs/dbraw/zinc/82/34/57/1170823457.db2.gz	BIULFXINVLLWNT-UHFFFAOYSA-N	-1	0	317.363	0.116	20	30		DCEDRM
C=C(C)CN(CC)C(=O)CN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001609226844	1170884015	/nfs/dbraw/zinc/88/40/15/1170884015.db2.gz	XYKBMJRQMMMUQH-GFCCVEGCSA-N	-1	0	321.381	0.648	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1	ZINC001609264186	1170902682	/nfs/dbraw/zinc/90/26/82/1170902682.db2.gz	GFKVMCTTXFFWJD-RBSFLKMASA-N	-1	0	323.437	0.938	20	30		DCEDRM
C=C[C@H](COC)NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC001609267524	1170903972	/nfs/dbraw/zinc/90/39/72/1170903972.db2.gz	XNAHEVLXHIUOBP-SSDOTTSWSA-N	-1	0	320.754	0.913	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC001609442854	1170978615	/nfs/dbraw/zinc/97/86/15/1170978615.db2.gz	HZEBDUNUSBJTEZ-NSHDSACASA-N	-1	0	305.290	0.654	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)C(=O)[O-]	ZINC001609443170	1170979251	/nfs/dbraw/zinc/97/92/51/1170979251.db2.gz	TXPMIQQYSWTBHD-NSHDSACASA-N	-1	0	309.278	0.684	20	30		DCEDRM
C=CCn1cc(C(=O)N(C)c2nc(CC(=O)[O-])cs2)nn1	ZINC001609485514	1170995187	/nfs/dbraw/zinc/99/51/87/1170995187.db2.gz	WBQCYQISNWNKPZ-UHFFFAOYSA-N	-1	0	307.335	0.824	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1ccc(C)cc1C(=O)[O-]	ZINC001609489306	1170995894	/nfs/dbraw/zinc/99/58/94/1170995894.db2.gz	YPUWZBXGKRCYJN-LLVKDONJSA-N	-1	0	311.359	0.746	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1C[C@@H]1CC2(CCC2)C(=O)O1	ZINC001609496334	1170997718	/nfs/dbraw/zinc/99/77/18/1170997718.db2.gz	FUBAZLVPWGXSRM-ZETCQYMHSA-N	-1	0	314.309	0.003	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cccc(-c3nn[nH]n3)c2)[n-]c1C#N	ZINC001609500937	1170999778	/nfs/dbraw/zinc/99/97/78/1170999778.db2.gz	LNWNJOXZTIOZPR-UHFFFAOYSA-N	-1	0	305.261	0.585	20	30		DCEDRM
C[C@@](CC(=O)[O-])(NC(=O)Cn1cnc(C#N)n1)c1ccncc1	ZINC001609729616	1171075370	/nfs/dbraw/zinc/07/53/70/1171075370.db2.gz	YPTVEHIRHULYPT-AWEZNQCLSA-N	-1	0	314.305	0.051	20	30		DCEDRM
C[C@H](CS(=O)(=O)NCc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001609747396	1171077670	/nfs/dbraw/zinc/07/76/70/1171077670.db2.gz	BJQYMEOCSSXLLZ-SNVBAGLBSA-N	-1	0	312.347	0.729	20	30		DCEDRM
CCN1CCO[C@@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC001610007692	1171136197	/nfs/dbraw/zinc/13/61/97/1171136197.db2.gz	DXVYAFIDPUOHSL-ZIAGYGMSSA-N	-1	0	318.329	0.948	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(CC(=O)C(CC)(CC)C(=O)[O-])c1=O	ZINC001610084990	1171152145	/nfs/dbraw/zinc/15/21/45/1171152145.db2.gz	HAIGXXPBMRGCIO-UHFFFAOYSA-N	-1	0	321.333	0.362	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccncc1C#N	ZINC001610166599	1171184068	/nfs/dbraw/zinc/18/40/68/1171184068.db2.gz	SBRLAURXLRCPBU-MFKMUULPSA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@@H]1CCN(Cc2ccncc2C#N)[C@H](C(=O)[O-])C1	ZINC001610168038	1171185068	/nfs/dbraw/zinc/18/50/68/1171185068.db2.gz	GWFLZDSFZDVXJM-MFKMUULPSA-N	-1	0	303.318	0.791	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)[C@@H](C(=O)[O-])C1	ZINC001610238850	1171203965	/nfs/dbraw/zinc/20/39/65/1171203965.db2.gz	ISOYRPXLWXQFSV-MCIONIFRSA-N	-1	0	318.329	0.682	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	ZINC001610277779	1171216322	/nfs/dbraw/zinc/21/63/22/1171216322.db2.gz	QKHHSIGFECWYOG-LBPRGKRZSA-N	-1	0	319.317	0.082	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1C#N	ZINC001610524267	1171247154	/nfs/dbraw/zinc/24/71/54/1171247154.db2.gz	DEPGMHZBEXCRQI-GHMZBOCLSA-N	-1	0	324.358	0.323	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1C#N	ZINC001610524274	1171247207	/nfs/dbraw/zinc/24/72/07/1171247207.db2.gz	DEPGMHZBEXCRQI-QWRGUYRKSA-N	-1	0	324.358	0.323	20	30		DCEDRM
Cn1ccc([C@H](NCc2cnc3ccc(C#N)cn23)C(=O)[O-])n1	ZINC001610609795	1171266862	/nfs/dbraw/zinc/26/68/62/1171266862.db2.gz	PGJSLJCQFMUFPD-AWEZNQCLSA-N	-1	0	310.317	0.855	20	30		DCEDRM
N#CCN(CCC(=O)N1CCOc2ccccc21)CC(=O)[O-]	ZINC001610622591	1171271459	/nfs/dbraw/zinc/27/14/59/1171271459.db2.gz	BQNXFPBITFKEPC-UHFFFAOYSA-N	-1	0	303.318	0.712	20	30		DCEDRM
N#CCOc1cccc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1	ZINC001610623228	1171271502	/nfs/dbraw/zinc/27/15/02/1171271502.db2.gz	KSVOYIFTWMYKMH-ZYHUDNBSSA-N	-1	0	319.317	0.888	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001610621081	1171271706	/nfs/dbraw/zinc/27/17/06/1171271706.db2.gz	VGAYZLVRDKXVSJ-VWYCJHECSA-N	-1	0	302.352	0.184	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1	ZINC001610624603	1171271749	/nfs/dbraw/zinc/27/17/49/1171271749.db2.gz	VUUIXLLDMFDCAH-NWDGAFQWSA-N	-1	0	324.358	0.209	20	30		DCEDRM
O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)C#Cc1cccs1	ZINC001610782091	1171322927	/nfs/dbraw/zinc/32/29/27/1171322927.db2.gz	WHFJCIGBQGEBJD-NSHDSACASA-N	-1	0	306.343	0.291	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)OCC(F)(F)C(F)F)[n-]n1	ZINC001621593013	1171411393	/nfs/dbraw/zinc/41/13/93/1171411393.db2.gz	VAXJOTITRYEMFW-UHFFFAOYSA-N	-1	0	320.220	0.802	20	30		DCEDRM
COCCOc1ncccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001627863529	1171513769	/nfs/dbraw/zinc/51/37/69/1171513769.db2.gz	LQVSQKGMWXIRII-UHFFFAOYSA-N	-1	0	312.289	0.826	20	30		DCEDRM
C#CCO[C@H](C)C(=O)Nc1ccc(OCc2nnn[n-]2)cc1	ZINC001629336684	1171546566	/nfs/dbraw/zinc/54/65/66/1171546566.db2.gz	JQNIVTJQJSIEDS-SNVBAGLBSA-N	-1	0	301.306	0.756	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1	ZINC001633101012	1171632559	/nfs/dbraw/zinc/63/25/59/1171632559.db2.gz	LAEADLFUDFXBEA-VIFPVBQESA-N	-1	0	314.363	0.959	20	30		DCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1ncc(Br)cc1[O-]	ZINC001636353120	1171734369	/nfs/dbraw/zinc/73/43/69/1171734369.db2.gz	QXLPPGBYAXVFFF-ZCFIWIBFSA-N	-1	0	316.111	0.270	20	30		DCEDRM
C=CCCO[N-]C(=O)C/N=C1/NS(=O)(=O)c2ccccc21	ZINC001642533815	1171948071	/nfs/dbraw/zinc/94/80/71/1171948071.db2.gz	TWRBEQIEBINXCI-UHFFFAOYSA-N	-1	0	309.347	0.349	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2c3nc[nH]c3ccc2F)c(C#N)c1=O	ZINC001643060095	1171963344	/nfs/dbraw/zinc/96/33/44/1171963344.db2.gz	NLZOJQDHPIMTSO-UHFFFAOYSA-N	-1	0	314.280	0.573	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)[n-]c1C#N	ZINC001645777353	1172136304	/nfs/dbraw/zinc/13/63/04/1172136304.db2.gz	CIXGKHNOQWKXNT-QMMMGPOBSA-N	-1	0	319.346	0.306	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc(C=O)s2)c(=O)[n-]c1=O	ZINC001646148056	1172272481	/nfs/dbraw/zinc/27/24/81/1172272481.db2.gz	QCWBFLVMMADDNV-UHFFFAOYSA-N	-1	0	318.314	0.125	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCC(=O)NC2)n1	ZINC001647074137	1172657881	/nfs/dbraw/zinc/65/78/81/1172657881.db2.gz	HVUYSMUUCJVSDP-VHSXEESVSA-N	-1	0	321.358	0.697	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCC(=O)NC2)n1	ZINC001647074136	1172658356	/nfs/dbraw/zinc/65/83/56/1172658356.db2.gz	HVUYSMUUCJVSDP-UWVGGRQHSA-N	-1	0	321.358	0.697	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCC(=O)NC2)n1	ZINC001647074138	1172658544	/nfs/dbraw/zinc/65/85/44/1172658544.db2.gz	HVUYSMUUCJVSDP-ZJUUUORDSA-N	-1	0	321.358	0.697	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)CC1OCCCO1	ZINC001647181264	1172724078	/nfs/dbraw/zinc/72/40/78/1172724078.db2.gz	MHLPAVNAQXIILA-UHFFFAOYSA-N	-1	0	310.331	0.516	20	30		DCEDRM
C[S@](=O)C1(C(=O)[O-])CCN(C(=O)C2(C#N)CCCC2)CC1	ZINC001647422251	1172878650	/nfs/dbraw/zinc/87/86/50/1172878650.db2.gz	OYGIJOMXLRITGS-NRFANRHFSA-N	-1	0	312.391	0.895	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCO[C@H](c3ccccc3)C2)c(C#N)c1=O	ZINC001647625306	1173005028	/nfs/dbraw/zinc/00/50/28/1173005028.db2.gz	YYLYWAVMKQDVIK-ZDUSSCGKSA-N	-1	0	312.329	0.523	20	30		DCEDRM
N#CCC1(CS(=O)(=O)[N-][C@H](CCO)C(F)(F)F)CC1	ZINC001649990612	1173363034	/nfs/dbraw/zinc/36/30/34/1173363034.db2.gz	XUWHASMSUMRMJP-MRVPVSSYSA-N	-1	0	300.302	0.913	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCNC(=O)OC(C)(C)C)c(C#N)c1=O	ZINC001650729230	1173730470	/nfs/dbraw/zinc/73/04/70/1173730470.db2.gz	CYMCDNNFKPQRDX-UHFFFAOYSA-N	-1	0	323.353	0.272	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2cccc(-n3cccn3)c2)c(C#N)c1=O	ZINC001650780001	1173732135	/nfs/dbraw/zinc/73/21/35/1173732135.db2.gz	YQDDKJYSGQWTPH-UHFFFAOYSA-N	-1	0	309.285	0.923	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCN2CCCCCC2=O)c(C#N)c1=O	ZINC001651293395	1173745929	/nfs/dbraw/zinc/74/59/29/1173745929.db2.gz	JTVXLGJLIDFFKK-UHFFFAOYSA-N	-1	0	319.365	0.150	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc(-n3ccnc3)cc2)c(C#N)c1=O	ZINC001655058277	1173815433	/nfs/dbraw/zinc/81/54/33/1173815433.db2.gz	KQVCFOGACIOMSE-UHFFFAOYSA-N	-1	0	322.328	0.743	20	30		DCEDRM
CC[C@@H]1[C@@H](NC(=O)CSCC#N)CCN1Cc1n[nH]c(=O)[n-]1	ZINC001656688278	1173877298	/nfs/dbraw/zinc/87/72/98/1173877298.db2.gz	GHPMURLFGLCCJK-VHSXEESVSA-N	-1	0	324.410	0.236	20	30		DCEDRM
C=CCNC(=O)NC(=O)Cn1[n-]c(=O)c(Cl)c(Cl)c1=O	ZINC001656778475	1173882791	/nfs/dbraw/zinc/88/27/91/1173882791.db2.gz	FEOMLWQBKQEDLS-UHFFFAOYSA-N	-1	0	321.120	0.268	20	30		DCEDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(C#N)c2)n1	ZINC001659763469	1173934983	/nfs/dbraw/zinc/93/49/83/1173934983.db2.gz	RQQMGMOUZAFQDU-UHFFFAOYSA-N	-1	0	321.318	0.678	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@H](NCC#N)C1	ZINC001661378274	1174120442	/nfs/dbraw/zinc/12/04/42/1174120442.db2.gz	DHFCHTWPEGNNKB-QMMMGPOBSA-N	-1	0	306.288	0.158	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC001661470072	1174128628	/nfs/dbraw/zinc/12/86/28/1174128628.db2.gz	AXUYBPZFCORAJT-UEKVPHQBSA-N	-1	0	307.398	0.448	20	30		DCEDRM
C#CCOCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1	ZINC001674126083	1175256560	/nfs/dbraw/zinc/25/65/60/1175256560.db2.gz	AIKNUXFSJKWVAV-RYUDHWBXSA-N	-1	0	321.381	0.019	20	30		DCEDRM
CC(C)N(CCN(C)CC#N)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001677201419	1175547796	/nfs/dbraw/zinc/54/77/96/1175547796.db2.gz	LUSWEUPTNAYZGG-UHFFFAOYSA-N	-1	0	324.385	0.162	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001700118511	1178485618	/nfs/dbraw/zinc/48/56/18/1178485618.db2.gz	HXXICVKJOXTKAB-JTQLQIEISA-N	-1	0	309.370	0.040	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@H]2CCN(CC#N)C2)cc1=O	ZINC001713531574	1180904876	/nfs/dbraw/zinc/90/48/76/1180904876.db2.gz	CDNUPSNSENEEGZ-CYBMUJFWSA-N	-1	0	319.409	0.337	20	30		DCEDRM
C=CCC1(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CCOCC1	ZINC001714955803	1181616485	/nfs/dbraw/zinc/61/64/85/1181616485.db2.gz	MFIFQCUAJRFQIU-UHFFFAOYSA-N	-1	0	321.381	0.184	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)C#CC(C)C)c1[O-]	ZINC001718544152	1183256504	/nfs/dbraw/zinc/25/65/04/1183256504.db2.gz	LUWZVECXFGMDTD-SNVBAGLBSA-N	-1	0	306.366	0.660	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21	ZINC001720873537	1183746744	/nfs/dbraw/zinc/74/67/44/1183746744.db2.gz	DQXUHXKJDVBFKX-PJXYFTJBSA-N	-1	0	316.361	0.414	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N(CC)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001721141668	1183845005	/nfs/dbraw/zinc/84/50/05/1183845005.db2.gz	AGQGCZJJOGCRSL-NSHDSACASA-N	-1	0	322.365	0.040	20	30		DCEDRM
C#CCN1CC[C@H]1CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001723485774	1184316985	/nfs/dbraw/zinc/31/69/85/1184316985.db2.gz	ZSNPJCXHWUUYCO-VIFPVBQESA-N	-1	0	305.300	0.267	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C	ZINC001725633610	1184921038	/nfs/dbraw/zinc/92/10/38/1184921038.db2.gz	FABXVOHSGRZTCZ-QWRGUYRKSA-N	-1	0	309.370	0.182	20	30		DCEDRM
CC(C)C#CC(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001725813604	1185012147	/nfs/dbraw/zinc/01/21/47/1185012147.db2.gz	MZBITPIFOUQBKN-UHFFFAOYSA-N	-1	0	303.366	0.418	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)C2CN(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001726097375	1185095626	/nfs/dbraw/zinc/09/56/26/1185095626.db2.gz	DRFHPOCPVLRASU-SNVBAGLBSA-N	-1	0	318.377	0.660	20	30		DCEDRM
CCN(C(=O)C#CC1CC1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001735599379	1186924055	/nfs/dbraw/zinc/92/40/55/1186924055.db2.gz	SAOQVLKZAJGMAA-SNVBAGLBSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001737835109	1187414559	/nfs/dbraw/zinc/41/45/59/1187414559.db2.gz	OSJKZDPNEUHRAI-LBPRGKRZSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@H](CC)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001738122476	1187480157	/nfs/dbraw/zinc/48/01/57/1187480157.db2.gz	HHIAULRIIYEBJX-QWRGUYRKSA-N	-1	0	322.365	0.087	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C#CC(C)C)[C@H]2C)c1[O-]	ZINC001738922957	1187699571	/nfs/dbraw/zinc/69/95/71/1187699571.db2.gz	FDVRZRDZFQFOCA-NEPJUHHUSA-N	-1	0	318.377	0.802	20	30		DCEDRM
C=C(C)CCC(=O)N(C)C[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001739042269	1187731761	/nfs/dbraw/zinc/73/17/61/1187731761.db2.gz	AGEJOZSGWRZVOC-LLVKDONJSA-N	-1	0	324.381	0.329	20	30		DCEDRM
C=CCCOCC(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001752826150	1188447215	/nfs/dbraw/zinc/44/72/15/1188447215.db2.gz	ROUKLXHDIIYMIY-GFCCVEGCSA-N	-1	0	323.397	0.574	20	30		DCEDRM
C#Cc1cncc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)c1	ZINC001754325525	1188822368	/nfs/dbraw/zinc/82/23/68/1188822368.db2.gz	QMIPNMUCPHDDMP-JTQLQIEISA-N	-1	0	314.349	0.137	20	30		DCEDRM
CC#CCN1CC(N(C)C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC001043243929	752149836	/nfs/dbraw/zinc/14/98/36/752149836.db2.gz	ZFKWFIPAWSPVAI-UHFFFAOYSA-N	-1	0	318.421	0.541	20	30		DCEDRM
C#C[C@@H](Oc1[n-]c(=O)nnc1Br)C(=O)OCC	ZINC001227066693	749132190	/nfs/dbraw/zinc/13/21/90/749132190.db2.gz	NIDNPCVQVOTJPZ-RXMQYKEDSA-N	-1	0	302.084	0.283	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C[S@@](C)=O)c1	ZINC001122625254	751116270	/nfs/dbraw/zinc/11/62/70/751116270.db2.gz	NSDVDKAAXDEJJB-MCMMXHMISA-N	-1	0	322.386	0.650	20	30		DCEDRM
C[C@H]1C[C@@H](NCC#N)CCN1C(=O)c1c[n-]n2c1nccc2=O	ZINC001044766623	752862854	/nfs/dbraw/zinc/86/28/54/752862854.db2.gz	DKLQJFGQOSRFAG-QWRGUYRKSA-N	-1	0	314.349	0.129	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001046632071	753843603	/nfs/dbraw/zinc/84/36/03/753843603.db2.gz	QXRIHIDVERBOLN-JRPNMDOOSA-N	-1	0	321.381	0.182	20	30		DCEDRM
C#CCCCC(=O)NCC1(NC(=O)c2[nH]nc(C)c2[O-])CCC1	ZINC001062860896	755008317	/nfs/dbraw/zinc/00/83/17/755008317.db2.gz	ZOVUJZQHEHDDOR-UHFFFAOYSA-N	-1	0	318.377	0.996	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)c2ccnc(C#N)n2)c1[O-]	ZINC001113551679	762380860	/nfs/dbraw/zinc/38/08/60/762380860.db2.gz	MLRYCEQICCMGSG-MRVPVSSYSA-N	-1	0	315.337	0.340	20	30		DCEDRM
C#CCCN1CC2(C1)CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])O2	ZINC001053589209	756107054	/nfs/dbraw/zinc/10/70/54/756107054.db2.gz	CHXCYEBSFSOBKS-GFCCVEGCSA-N	-1	0	318.377	0.410	20	30		DCEDRM
C#CCCN1CC2(C1)C[C@H](NC(=O)c1[nH]nc(C)c1[O-])CO2	ZINC001053774929	756197325	/nfs/dbraw/zinc/19/73/25/756197325.db2.gz	MQJUDSTWMYGDDS-NSHDSACASA-N	-1	0	304.350	0.020	20	30		DCEDRM
CC#CCN1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1	ZINC001113671958	762465749	/nfs/dbraw/zinc/46/57/49/762465749.db2.gz	JSIPJXXFPOLIIQ-UHFFFAOYSA-N	-1	0	319.327	0.611	20	30		DCEDRM
O=C(C#CC1CC1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001050516010	757783409	/nfs/dbraw/zinc/78/34/09/757783409.db2.gz	XUVSPUDAPJQHKG-UHFFFAOYSA-N	-1	0	315.377	0.348	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCN(c3ncc[nH]3)CC1)cc2=O	ZINC001169898869	760917056	/nfs/dbraw/zinc/91/70/56/760917056.db2.gz	DRJAROLUHZLNLI-UHFFFAOYSA-N	-1	0	324.348	0.352	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nc(OC)nc(OC)n1	ZINC001169962447	760941121	/nfs/dbraw/zinc/94/11/21/760941121.db2.gz	NJNYAQGWHWACPC-UHFFFAOYSA-N	-1	0	305.254	0.315	20	30		DCEDRM
Cc1ccc(C(=O)n2c(N)c(C#N)c(N)nc2=NC2CC2)c([O-])c1	ZINC001148492107	768003277	/nfs/dbraw/zinc/00/32/77/768003277.db2.gz	HLOVBFKYZYJLGG-UHFFFAOYSA-N	-1	0	324.344	0.685	20	30		DCEDRM
C#CCN1CC[C@@]2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])C[C@H](C)O2	ZINC001071156305	761664374	/nfs/dbraw/zinc/66/43/74/761664374.db2.gz	FQOQDQQNRKWJLB-MEDUHNTESA-N	-1	0	318.377	0.362	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1Cc1n[nH]c(=O)[n-]1	ZINC001098982741	762770679	/nfs/dbraw/zinc/77/06/79/762770679.db2.gz	NHSYOFDHOKHSOC-GHMZBOCLSA-N	-1	0	320.397	0.777	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)CNc2ccncc2C#N)c1[O-]	ZINC001103948924	765208148	/nfs/dbraw/zinc/20/81/48/765208148.db2.gz	CALVIJBVWXGOGG-VIFPVBQESA-N	-1	0	314.349	0.590	20	30		DCEDRM
Cc1cc(OCC(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)no1	ZINC000813984397	765298893	/nfs/dbraw/zinc/29/88/93/765298893.db2.gz	UFQBQVJDSZAOBN-UHFFFAOYSA-N	-1	0	322.302	0.134	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)[O-]	ZINC001116921612	765927447	/nfs/dbraw/zinc/92/74/47/765927447.db2.gz	DJQDRJHZBSOFPA-SECBINFHSA-N	-1	0	316.335	0.088	20	30		DCEDRM
C=CCN(CCc1ccco1)C(=O)C(=O)NCC(=O)[N-]OCC	ZINC001118366784	766301821	/nfs/dbraw/zinc/30/18/21/766301821.db2.gz	ZOFMYBIMPLFLKE-UHFFFAOYSA-N	-1	0	323.349	0.021	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001118480402	766327825	/nfs/dbraw/zinc/32/78/25/766327825.db2.gz	AUAWPWCZAAUWGV-VIFPVBQESA-N	-1	0	306.322	0.121	20	30		DCEDRM
C=CCNc1ncc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)s1	ZINC001136656964	766415885	/nfs/dbraw/zinc/41/58/85/766415885.db2.gz	ZANGBVFYSXMMGX-MRVPVSSYSA-N	-1	0	321.366	0.468	20	30		DCEDRM
COCCc1ncc(C=Nn2c(=O)c(C)n[n-]c2=S)s1	ZINC001119008426	766501736	/nfs/dbraw/zinc/50/17/36/766501736.db2.gz	YOSUXCLUQHAARP-UHFFFAOYSA-N	-1	0	311.392	0.763	20	30		DCEDRM
C/C=C(\C)C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001143951946	766751749	/nfs/dbraw/zinc/75/17/49/766751749.db2.gz	YUOLVKKWCHMJSI-QZGLAHODSA-N	-1	0	312.328	0.495	20	30		DCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2c3c(nn2C)CCOC3)C(=O)O1	ZINC001120077695	766895243	/nfs/dbraw/zinc/89/52/43/766895243.db2.gz	AFBBRABNOHAEBU-NHZBNJEXSA-N	-1	0	316.313	0.721	20	30		DCEDRM
C[C@@H](C[C@H](C)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NCC#N	ZINC001146509415	767466107	/nfs/dbraw/zinc/46/61/07/767466107.db2.gz	CTJHNHXRMUFGOU-IUCAKERBSA-N	-1	0	322.331	0.840	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(CCOC)CC(C)C	ZINC001121662615	767616430	/nfs/dbraw/zinc/61/64/30/767616430.db2.gz	FLLSEWCOMYURRL-UHFFFAOYSA-N	-1	0	320.397	0.797	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC001140964676	768558056	/nfs/dbraw/zinc/55/80/56/768558056.db2.gz	VPEXGIYVFPOWRD-ZJUUUORDSA-N	-1	0	302.290	0.509	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1n[nH]cc2nncc1-2	ZINC001230899810	768905257	/nfs/dbraw/zinc/90/52/57/768905257.db2.gz	AIQKJMYOTMIUHO-QMMMGPOBSA-N	-1	0	314.323	0.191	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1	ZINC001150084728	769005104	/nfs/dbraw/zinc/00/51/04/769005104.db2.gz	GCKSGBANENUROM-NSHDSACASA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1n[nH]c(=O)[n-]1	ZINC001231306550	769223292	/nfs/dbraw/zinc/22/32/92/769223292.db2.gz	XXRNHXRZEUXIDY-UHFFFAOYSA-N	-1	0	311.294	0.496	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1[nH]ccc(=O)c1C	ZINC001234176088	769574110	/nfs/dbraw/zinc/57/41/10/769574110.db2.gz	DATWVXHGUPFWQC-SNVBAGLBSA-N	-1	0	303.336	0.933	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2cccc3cc[nH]c32)c(=O)[n-]c1=O	ZINC001154345989	770149366	/nfs/dbraw/zinc/14/93/66/770149366.db2.gz	XJIXGXXLKCLJHD-UHFFFAOYSA-N	-1	0	323.312	0.618	20	30		DCEDRM
Cn1ccc2ccc(NC(=O)Cn3cc(C#N)c(=O)[n-]c3=O)cc21	ZINC001154480836	770194240	/nfs/dbraw/zinc/19/42/40/770194240.db2.gz	OFGIJMSOOLFMSV-UHFFFAOYSA-N	-1	0	323.312	0.951	20	30		DCEDRM
CSCCCCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001154840679	770312348	/nfs/dbraw/zinc/31/23/48/770312348.db2.gz	TULTYJXLRFJUTK-UHFFFAOYSA-N	-1	0	310.379	0.470	20	30		DCEDRM
C=CCCCNC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O	ZINC001178374323	770722559	/nfs/dbraw/zinc/72/25/59/770722559.db2.gz	MKZKFQYBYFETKI-UHFFFAOYSA-N	-1	0	320.349	0.510	20	30		DCEDRM
N#Cc1c(NCCOP(=O)([O-])[O-])ncc2c1CCC[NH2+]C2	ZINC001157787984	771671810	/nfs/dbraw/zinc/67/18/10/771671810.db2.gz	UINJEIWNGDMPAG-UHFFFAOYSA-N	-1	0	312.266	0.510	20	30		DCEDRM
N#Cc1nc[nH]c1NC(=O)COc1ccc(OCC(=O)[O-])cc1	ZINC001183904092	771716245	/nfs/dbraw/zinc/71/62/45/771716245.db2.gz	YRYQALQSRIFSGU-UHFFFAOYSA-N	-1	0	316.273	0.762	20	30		DCEDRM
COC(=O)[C@H](CS)NC(=O)c1nc(SC)ncc1[O-]	ZINC001185186186	771875457	/nfs/dbraw/zinc/87/54/57/771875457.db2.gz	KAPDEOZDJITCCW-YFKPBYRVSA-N	-1	0	303.365	0.105	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001190450181	772631746	/nfs/dbraw/zinc/63/17/46/772631746.db2.gz	RUCFXDMPDGOCCD-GRYCIOLGSA-N	-1	0	321.381	0.134	20	30		DCEDRM
N#C[C@@H]1CNCCN1C(F)(F)c1cc(Cl)nnc1C(=O)[O-]	ZINC001164675796	772690828	/nfs/dbraw/zinc/69/08/28/772690828.db2.gz	RIPGCXQHXNXJEU-ZCFIWIBFSA-N	-1	0	317.683	0.675	20	30		DCEDRM
C[C@@H](C#N)N(C)C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-]	ZINC001191024859	772709779	/nfs/dbraw/zinc/70/97/79/772709779.db2.gz	COHXBPAXJJBNNU-LURJTMIESA-N	-1	0	317.754	0.677	20	30		DCEDRM
Cn1cc(Br)cc([N-]S(=O)(=O)CC#N)c1=O	ZINC001192988150	772984134	/nfs/dbraw/zinc/98/41/34/772984134.db2.gz	KIKIXTRCMRRNNP-UHFFFAOYSA-N	-1	0	306.141	0.413	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](NS(=O)(=O)CC#N)C1	ZINC001193009568	772995684	/nfs/dbraw/zinc/99/56/84/772995684.db2.gz	ZHDFEORTEYRXMR-NXEZZACHSA-N	-1	0	321.374	0.777	20	30		DCEDRM
COC(=O)Cn1cc(NC(=O)c2ccc([O-])c(C#N)c2)cn1	ZINC001193498789	773072278	/nfs/dbraw/zinc/07/22/78/773072278.db2.gz	LKYYZXCNVMHTEJ-UHFFFAOYSA-N	-1	0	300.274	0.886	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1nccn1C	ZINC001193599038	773094673	/nfs/dbraw/zinc/09/46/73/773094673.db2.gz	ZHFXAOSDUAYXAK-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CCN(c3ncncn3)CC2)c1[O-]	ZINC001193646077	773097401	/nfs/dbraw/zinc/09/74/01/773097401.db2.gz	BMUFBTXHUCFAIA-UHFFFAOYSA-N	-1	0	310.317	0.411	20	30		DCEDRM
COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc3n(n2)CCO3)c1	ZINC001193653736	773098140	/nfs/dbraw/zinc/09/81/40/773098140.db2.gz	KRKVPGCNWBMHLZ-UHFFFAOYSA-N	-1	0	320.330	0.957	20	30		DCEDRM
COC(=O)c1cc(C(=O)Nc2c(C#N)cnn2C(=O)OC)n[n-]1	ZINC001194298677	773172011	/nfs/dbraw/zinc/17/20/11/773172011.db2.gz	ZPRTXPWFHVNBKY-UHFFFAOYSA-N	-1	0	318.249	0.131	20	30		DCEDRM
CCOC(=O)C(C#N)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198800784	773985079	/nfs/dbraw/zinc/98/50/79/773985079.db2.gz	CURHVLBUOXOXSK-SECBINFHSA-N	-1	0	312.303	0.118	20	30		DCEDRM
COCCOc1ccnc(C(=O)[N-]c2onc(C)c2C#N)n1	ZINC001199188695	774051193	/nfs/dbraw/zinc/05/11/93/774051193.db2.gz	PVGKRHBLZMENDB-UHFFFAOYSA-N	-1	0	303.278	0.922	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)CCO1	ZINC000316247342	774936719	/nfs/dbraw/zinc/93/67/19/774936719.db2.gz	VQWKHOUICFDQRJ-GFCCVEGCSA-N	-1	0	324.358	0.617	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCN(C)c2nccnc2C#N)c1[O-]	ZINC001095513994	775195901	/nfs/dbraw/zinc/19/59/01/775195901.db2.gz	WAOIGHCPYKXRTR-UHFFFAOYSA-N	-1	0	315.337	0.342	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCN(C)c2ccncc2C#N)c1[O-]	ZINC001095514035	775196292	/nfs/dbraw/zinc/19/62/92/775196292.db2.gz	XFFULOGKWBYVBO-UHFFFAOYSA-N	-1	0	314.349	0.947	20	30		DCEDRM
C=CC(=O)OC[C@@H](COC(=O)C(=C)C)OCC[P@@](=O)([O-])O	ZINC001224606333	775587740	/nfs/dbraw/zinc/58/77/40/775587740.db2.gz	OMEYESLHLGAMDJ-JTQLQIEISA-N	-1	0	322.250	0.398	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@@H]1CCN(C(C)=O)C1	ZINC001225016326	775631675	/nfs/dbraw/zinc/63/16/75/775631675.db2.gz	YBIZDTVUDWXMFS-CHWSQXEVSA-N	-1	0	321.395	0.330	20	30		DCEDRM
CCOC(=O)c1[n-]c(=O)nc(OC2CC(C#N)C2)c1[N+](=O)[O-]	ZINC001226019884	775756245	/nfs/dbraw/zinc/75/62/45/775756245.db2.gz	FIJHFKJQOUHHBP-UHFFFAOYSA-N	-1	0	308.250	0.948	20	30		DCEDRM
C#C[C@H](Oc1ccc(O)cc1S(=O)(=O)[O-])C(=O)OCC	ZINC001226413729	775814735	/nfs/dbraw/zinc/81/47/35/775814735.db2.gz	SRZCYEQUDUPDPB-VIFPVBQESA-N	-1	0	300.288	0.583	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncc([N+](=O)[O-])cn1	ZINC001226733486	775870664	/nfs/dbraw/zinc/87/06/64/775870664.db2.gz	PQJHXIGQHUXELF-SECBINFHSA-N	-1	0	319.295	0.223	20	30		DCEDRM
O=C([O-])C[C@H](O)C(=O)Oc1ccc(Cl)cc1C(=O)NO	ZINC001227175308	775941844	/nfs/dbraw/zinc/94/18/44/775941844.db2.gz	QROCKZISSGOSFC-ZETCQYMHSA-N	-1	0	303.654	0.200	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Oc2ncnc(=O)[n-]2)C1	ZINC001229605279	776204659	/nfs/dbraw/zinc/20/46/59/776204659.db2.gz	BTCSXELJXPDHRT-DTWKUNHWSA-N	-1	0	307.310	0.715	20	30		DCEDRM
N#Cc1c(Cl)nsc1N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001601080519	1168582902	/nfs/dbraw/zinc/58/29/02/1168582902.db2.gz	CWEZPPBHFWZVKD-ZETCQYMHSA-N	-1	0	314.754	0.838	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1c(C)c(C)nn(C)c1=O)C(=O)[O-]	ZINC001602866105	1169196171	/nfs/dbraw/zinc/19/61/71/1169196171.db2.gz	XAMBOMRBHDXOGS-NSHDSACASA-N	-1	0	307.350	0.936	20	30		DCEDRM
CC(C)C(=O)N1CCC(C(=O)N(CC#N)CCC(=O)[O-])CC1	ZINC001603700571	1169363911	/nfs/dbraw/zinc/36/39/11/1169363911.db2.gz	FLEXFYYPEZSWHP-UHFFFAOYSA-N	-1	0	309.366	0.708	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001603700476	1169363926	/nfs/dbraw/zinc/36/39/26/1169363926.db2.gz	ZAMBREQBIPVRLB-NSHDSACASA-N	-1	0	304.350	0.420	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001317994734	945233405	/nfs/dbraw/zinc/23/34/05/945233405.db2.gz	WYFJZZHTZGCCBJ-NSHDSACASA-N	-1	0	309.370	0.184	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001269221863	940651987	/nfs/dbraw/zinc/65/19/87/940651987.db2.gz	QGTWDTQRXUPFEM-NWDGAFQWSA-N	-1	0	323.397	0.524	20	30		DCEDRM
C=C(C)CN1CCC2(CCN(C(=O)Cc3nnn[n-]3)CC2)C1=O	ZINC001269578243	940734041	/nfs/dbraw/zinc/73/40/41/940734041.db2.gz	XRXARTVXBMYNCT-UHFFFAOYSA-N	-1	0	318.381	0.159	20	30		DCEDRM
C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001483173444	941921023	/nfs/dbraw/zinc/92/10/23/941921023.db2.gz	ODILVBYHOFMEDA-SECBINFHSA-N	-1	0	309.757	0.483	20	30		DCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H](O)Cc1ccccc1	ZINC001412880628	942121014	/nfs/dbraw/zinc/12/10/14/942121014.db2.gz	NWROIOZILQZQSS-GWCFXTLKSA-N	-1	0	314.345	0.349	20	30		DCEDRM
CCOC(=O)C(CC)(CC)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001412893531	942128213	/nfs/dbraw/zinc/12/82/13/942128213.db2.gz	OJVJSVQMQGMGQN-UHFFFAOYSA-N	-1	0	322.365	0.727	20	30		DCEDRM
N#Cc1ccc(F)cc1N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001412898615	942130087	/nfs/dbraw/zinc/13/00/87/942130087.db2.gz	GPVVAFQJCWAKCX-UHFFFAOYSA-N	-1	0	311.276	0.893	20	30		DCEDRM
C#CCCCCC(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001276367213	942404088	/nfs/dbraw/zinc/40/40/88/942404088.db2.gz	BLNNMIMXEMUSDP-NSHDSACASA-N	-1	0	305.382	0.640	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)COCC(=O)[O-])CCN1Cc1ccccc1	ZINC001601061199	970925664	/nfs/dbraw/zinc/92/56/64/970925664.db2.gz	UKUYOSZHVMWSQR-CQSZACIVSA-N	-1	0	317.345	0.324	20	30		DCEDRM
C#CCN1CC2(CN(C(=O)c3c([O-])cccc3F)C2)OCC1=O	ZINC001272389024	942730804	/nfs/dbraw/zinc/73/08/04/942730804.db2.gz	PZXWEHVHCXDNFP-UHFFFAOYSA-N	-1	0	318.304	0.218	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC001413386310	942941985	/nfs/dbraw/zinc/94/19/85/942941985.db2.gz	KZYNNZCNMZNNMM-NSHDSACASA-N	-1	0	314.305	0.294	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c(F)c1	ZINC001413385073	942943044	/nfs/dbraw/zinc/94/30/44/942943044.db2.gz	DXHSRKDEEHTOFD-LLVKDONJSA-N	-1	0	302.269	0.424	20	30		DCEDRM
C[C@@H](NCC#N)[C@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001484351901	943331506	/nfs/dbraw/zinc/33/15/06/943331506.db2.gz	GPDGHGFPABUWKV-ZJUUUORDSA-N	-1	0	315.333	0.892	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H](C)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001491288208	943898454	/nfs/dbraw/zinc/89/84/54/943898454.db2.gz	RZKLLOOIUNPRAG-CHWSQXEVSA-N	-1	0	319.409	0.886	20	30		DCEDRM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NC1(C#N)CC1	ZINC001319006808	945480618	/nfs/dbraw/zinc/48/06/18/945480618.db2.gz	DTLCOYYFBFWEOS-UHFFFAOYSA-N	-1	0	310.317	0.663	20	30		DCEDRM
C#CCOC[C@H](O)CNc1nc[n-]c(=O)c1Br	ZINC001251829056	945785775	/nfs/dbraw/zinc/78/57/75/945785775.db2.gz	LSLXWXUFPUXQCT-SSDOTTSWSA-N	-1	0	302.128	0.367	20	30		DCEDRM
C=CC[C@@H](NC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)[O-]	ZINC001321167382	946197958	/nfs/dbraw/zinc/19/79/58/946197958.db2.gz	VUNNWRCIKRPURV-SNVBAGLBSA-N	-1	0	303.318	0.486	20	30		DCEDRM
C=CC[C@H](NC(=O)c1ccc(S(=O)(=O)NC)cc1)C(=O)[O-]	ZINC001256560616	946644782	/nfs/dbraw/zinc/64/47/82/946644782.db2.gz	RYOQTTXOFWQXMG-NSHDSACASA-N	-1	0	312.347	0.354	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC1(C2(O)CCOCC2)CC1	ZINC001602683812	971276732	/nfs/dbraw/zinc/27/67/32/971276732.db2.gz	KISROONRIVIUTM-UHFFFAOYSA-N	-1	0	310.350	0.038	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2nc(F)ccc2C(N)=O)cc1	ZINC001258045582	946795994	/nfs/dbraw/zinc/79/59/94/946795994.db2.gz	ONHAEOWYPMJQBK-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cn(C)nc1C#N	ZINC001258362381	946827564	/nfs/dbraw/zinc/82/75/64/946827564.db2.gz	YZZNLCMPMAEOFA-UHFFFAOYSA-N	-1	0	314.758	0.788	20	30		DCEDRM
C#CC[C@H](NC(=O)C(=O)[N-]OCCOCC)c1ccccc1	ZINC001322921378	946861529	/nfs/dbraw/zinc/86/15/29/946861529.db2.gz	CJPILQLRPYHHAO-AWEZNQCLSA-N	-1	0	304.346	0.952	20	30		DCEDRM
COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2cn(C)cn2)c1	ZINC001258999923	946883745	/nfs/dbraw/zinc/88/37/45/946883745.db2.gz	CNCBIQYFOIWCCM-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(OCCOC)nc1	ZINC001602688923	971293295	/nfs/dbraw/zinc/29/32/95/971293295.db2.gz	ZPMFHGLORZGVPA-UHFFFAOYSA-N	-1	0	307.306	0.659	20	30		DCEDRM
COCCCO[N-]C(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC001323139240	946948132	/nfs/dbraw/zinc/94/81/32/946948132.db2.gz	QBSKVPGVLSMAED-UHFFFAOYSA-N	-1	0	309.326	0.128	20	30		DCEDRM
C=CCS(=O)(=O)Nc1ccc(OC)cc1S(=O)(=O)[O-]	ZINC001259930303	947024885	/nfs/dbraw/zinc/02/48/85/947024885.db2.gz	QKGHHPKCROQUOS-UHFFFAOYSA-N	-1	0	307.349	0.870	20	30		DCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccn(C)n2)c(C#N)c1	ZINC001259945399	947032502	/nfs/dbraw/zinc/03/25/02/947032502.db2.gz	ZYWXCGLQZIJVPZ-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
COC(=O)c1sc(SC)c(C#N)c1[N-]S(N)(=O)=O	ZINC001260075145	947057055	/nfs/dbraw/zinc/05/70/55/947057055.db2.gz	YEGCDPUAJGPFCA-UHFFFAOYSA-N	-1	0	307.378	0.744	20	30		DCEDRM
C=C(Cl)CNS(=O)(=O)c1ccsc1-c1nnn[n-]1	ZINC001573297714	947064409	/nfs/dbraw/zinc/06/44/09/947064409.db2.gz	KGSHDPXUDXXHQM-UHFFFAOYSA-N	-1	0	305.772	0.959	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C[S@@](C)=O)n1CC(=C)C	ZINC001602700802	971321514	/nfs/dbraw/zinc/32/15/14/971321514.db2.gz	JUNASOCTWAXPIM-OAQYLSRUSA-N	-1	0	310.379	0.257	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2nnccc2C#N)cc1	ZINC001260234224	947088382	/nfs/dbraw/zinc/08/83/82/947088382.db2.gz	MIIXMKPBGNUQCQ-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@]1(C(=O)[O-])CCCO1	ZINC001602701062	971326042	/nfs/dbraw/zinc/32/60/42/971326042.db2.gz	UNTGOHQMUWFVLW-OAHLLOKOSA-N	-1	0	311.334	0.424	20	30		DCEDRM
C#Cc1cccc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c1	ZINC001602707362	971343658	/nfs/dbraw/zinc/34/36/58/971343658.db2.gz	RYECAVKDVYNVEH-CYBMUJFWSA-N	-1	0	300.314	0.930	20	30		DCEDRM
C=C(C)Cn1c(COC)nnc1N1CC[C@](COC)(C(=O)[O-])C1	ZINC001602712697	971358429	/nfs/dbraw/zinc/35/84/29/971358429.db2.gz	ZKKIFNFCAZRUPO-HNNXBMFYSA-N	-1	0	324.381	0.928	20	30		DCEDRM
C=CCNc1ncc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)s1	ZINC001602723081	971393007	/nfs/dbraw/zinc/39/30/07/971393007.db2.gz	KNCOQXYYDJDSGH-UHFFFAOYSA-N	-1	0	324.362	0.110	20	30		DCEDRM
CO[C@H]1CCn2cc(C([O-])=C(C#N)C(=O)NC3CC3)nc2C1	ZINC001263296386	947828451	/nfs/dbraw/zinc/82/84/51/947828451.db2.gz	CZOLYWWBMUGEJP-QWRGUYRKSA-N	-1	0	302.334	0.445	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1ncc(Br)cc1C(N)=O	ZINC001192939750	948005225	/nfs/dbraw/zinc/00/52/25/948005225.db2.gz	XSXDQXWAFHZXAY-UHFFFAOYSA-N	-1	0	319.140	0.208	20	30		DCEDRM
Cc1cc(=O)n2nc(NC(=O)c3ccc(C#N)c(C)n3)[n-]c2n1	ZINC001326047152	948032282	/nfs/dbraw/zinc/03/22/82/948032282.db2.gz	AEOHVHHMCCHKEH-UHFFFAOYSA-N	-1	0	309.289	0.553	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1ccccc1OCC(=O)N(C)C)C(=O)[O-]	ZINC001327013191	948363205	/nfs/dbraw/zinc/36/32/05/948363205.db2.gz	IJXNIWDPKCLVTM-GFCCVEGCSA-N	-1	0	320.345	0.913	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(N2CCNC2=O)c1	ZINC001327560216	948550741	/nfs/dbraw/zinc/55/07/41/948550741.db2.gz	QIOKANLJNHVWCE-UHFFFAOYSA-N	-1	0	321.358	0.299	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H]1C	ZINC001488129559	948559780	/nfs/dbraw/zinc/55/97/80/948559780.db2.gz	MXQQQAJDNYMBIL-NWDGAFQWSA-N	-1	0	318.377	0.946	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1	ZINC001273902327	948671488	/nfs/dbraw/zinc/67/14/88/948671488.db2.gz	BAWXNVNWKAPQNO-HNNXBMFYSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=CCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001488426794	948836454	/nfs/dbraw/zinc/83/64/54/948836454.db2.gz	UMLPNTVQKQURIJ-LLVKDONJSA-N	-1	0	324.381	0.281	20	30		DCEDRM
CC(C)c1nocc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001574440655	949035276	/nfs/dbraw/zinc/03/52/76/949035276.db2.gz	BAUYLBSGPLONHX-UHFFFAOYSA-N	-1	0	313.281	0.825	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(CC#N)cc1	ZINC000092130781	949142115	/nfs/dbraw/zinc/14/21/15/949142115.db2.gz	LOEKFZKTCQQWKO-UHFFFAOYSA-N	-1	0	312.347	0.474	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](CO)c2cccc(F)c2)c(C#N)c1=O	ZINC001364533152	949508874	/nfs/dbraw/zinc/50/88/74/949508874.db2.gz	NUUUBYCVRHILOF-LLVKDONJSA-N	-1	0	304.281	0.230	20	30		DCEDRM
C=CCCn1cc(CN[C@H](Cn2nc(C)cc2C)C(=O)[O-])nn1	ZINC001329355614	949525398	/nfs/dbraw/zinc/52/53/98/949525398.db2.gz	XCZXHGCMXFRCOB-CQSZACIVSA-N	-1	0	318.381	0.911	20	30		DCEDRM
Cn1nc(C2CC2)cc1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364587981	949597069	/nfs/dbraw/zinc/59/70/69/949597069.db2.gz	MRWIEMLJTOENNG-UHFFFAOYSA-N	-1	0	300.322	0.168	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1Cc2cccnc2NC1=O	ZINC001364658681	949710761	/nfs/dbraw/zinc/71/07/61/949710761.db2.gz	YICRFJZCMISMQN-NSHDSACASA-N	-1	0	323.312	0.656	20	30		DCEDRM
CCOC(=O)[C@H](COC)[N-]S(=O)(=O)CC1(CC#N)CC1	ZINC001364958136	950258736	/nfs/dbraw/zinc/25/87/36/950258736.db2.gz	ZOIRHTKWLDYDHQ-JTQLQIEISA-N	-1	0	304.368	0.178	20	30		DCEDRM
CC(C)(C)OC(=O)CCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001573850556	950273155	/nfs/dbraw/zinc/27/31/55/950273155.db2.gz	KUEROPBJFSEQFY-UHFFFAOYSA-N	-1	0	316.325	0.672	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H](CO)c2ncc[nH]2)cc1C#N	ZINC001365019689	950362855	/nfs/dbraw/zinc/36/28/55/950362855.db2.gz	RODNOUDFKWMDKU-SECBINFHSA-N	-1	0	319.346	0.567	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)[N-]OCCC(F)(F)F	ZINC001330428442	950388481	/nfs/dbraw/zinc/38/84/81/950388481.db2.gz	BNWFEXFRGFBABB-SECBINFHSA-N	-1	0	310.272	0.531	20	30		DCEDRM
CN(CCC#N)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001330507537	950468123	/nfs/dbraw/zinc/46/81/23/950468123.db2.gz	UHWCHHOQTHLHRX-UHFFFAOYSA-N	-1	0	307.310	0.013	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001266208693	950470963	/nfs/dbraw/zinc/47/09/63/950470963.db2.gz	FBUQTXZWXAMZEU-RYUDHWBXSA-N	-1	0	323.397	0.572	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3ccc(F)cc3)C2)c(=O)[n-]c1=O	ZINC001365147837	950607826	/nfs/dbraw/zinc/60/78/26/950607826.db2.gz	JEVJTQOHJVBDAJ-UHFFFAOYSA-N	-1	0	314.276	0.657	20	30		DCEDRM
Cc1nn(C)c(C)c1C[C@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365213754	950746419	/nfs/dbraw/zinc/74/64/19/950746419.db2.gz	CEVJAOLVVQSUDW-QMMMGPOBSA-N	-1	0	316.365	0.339	20	30		DCEDRM
Cc1nn(C)c(C)c1C[C@@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365213748	950748467	/nfs/dbraw/zinc/74/84/67/950748467.db2.gz	CEVJAOLVVQSUDW-MRVPVSSYSA-N	-1	0	316.365	0.339	20	30		DCEDRM
N#Cc1cccc2c1CCCN2Cc1cc(=O)n2[n-]c(N)nc2n1	ZINC001331032951	950841528	/nfs/dbraw/zinc/84/15/28/950841528.db2.gz	BJBBULPHUMJDIZ-UHFFFAOYSA-N	-1	0	321.344	0.824	20	30		DCEDRM
C[C@H]1CCC[C@H]1CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365374854	951038705	/nfs/dbraw/zinc/03/87/05/951038705.db2.gz	IHRDSBVKBPVJGB-QWRGUYRKSA-N	-1	0	319.365	0.556	20	30		DCEDRM
C#CCOCCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001280734900	951056461	/nfs/dbraw/zinc/05/64/61/951056461.db2.gz	ZOOFCBSYQROQTP-LBPRGKRZSA-N	-1	0	321.381	0.021	20	30		DCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)N(C)CC(=O)OCC	ZINC001333682643	952132367	/nfs/dbraw/zinc/13/23/67/952132367.db2.gz	NIFNMEIADMPJIW-UHFFFAOYSA-N	-1	0	318.395	0.426	20	30		DCEDRM
C#CCN1CCC2(CCN(S(=O)(=O)c3ncc[n-]3)CC2)C1=O	ZINC001275461410	952165773	/nfs/dbraw/zinc/16/57/73/952165773.db2.gz	IGNDYPRBIULFIS-UHFFFAOYSA-N	-1	0	322.390	0.046	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N(CC(N)=O)C(C)C)cc1C#N	ZINC001411611236	952322285	/nfs/dbraw/zinc/32/22/85/952322285.db2.gz	PPXOSTHPMINKEF-UHFFFAOYSA-N	-1	0	308.363	0.717	20	30		DCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1nccs1	ZINC001411749679	952426225	/nfs/dbraw/zinc/42/62/25/952426225.db2.gz	AKEKFQWHCGWMGA-UHFFFAOYSA-N	-1	0	305.319	0.330	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)Cc1ccncc1	ZINC001412032820	952611926	/nfs/dbraw/zinc/61/19/26/952611926.db2.gz	JSIJMUCKNQNDHC-ZDUSSCGKSA-N	-1	0	312.329	0.696	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001337127305	952815018	/nfs/dbraw/zinc/81/50/18/952815018.db2.gz	BHPWIXIJIAQGPD-KOLCDFICSA-N	-1	0	322.365	0.039	20	30		DCEDRM
CC(C)(C)OCCCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001602916601	971872852	/nfs/dbraw/zinc/87/28/52/971872852.db2.gz	DFIKKWJSCOTCKD-UHFFFAOYSA-N	-1	0	309.322	0.171	20	30		DCEDRM
C=CCOc1cc(OC)ccc1C(=O)NCc1nc(=O)o[n-]1	ZINC001338098797	952963612	/nfs/dbraw/zinc/96/36/12/952963612.db2.gz	WVBXASHSHPQQNM-UHFFFAOYSA-N	-1	0	305.290	0.866	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CCc3c(n[nH]c3C(N)=O)C2)c1[O-]	ZINC001276216027	953012331	/nfs/dbraw/zinc/01/23/31/953012331.db2.gz	WCGWEHNKABWZSX-UHFFFAOYSA-N	-1	0	311.301	0.284	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CCc3cc(C(N)=O)[nH]c3C2)c1[O-]	ZINC001276215075	953012491	/nfs/dbraw/zinc/01/24/91/953012491.db2.gz	DDTJLZKIBBVABP-UHFFFAOYSA-N	-1	0	310.313	0.889	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCCC1CCOCC1)C(=O)[O-]	ZINC001339493001	953098165	/nfs/dbraw/zinc/09/81/65/953098165.db2.gz	MHUIVCAQRXJSPQ-GFCCVEGCSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C[C@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1nccs1	ZINC001412799249	953099252	/nfs/dbraw/zinc/09/92/52/953099252.db2.gz	AOJGPJQPQMUBHN-MRVPVSSYSA-N	-1	0	319.346	0.197	20	30		DCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CC[C@H](OC)C1	ZINC001342181035	953274771	/nfs/dbraw/zinc/27/47/71/953274771.db2.gz	VMGVSZQFFIPHHG-JTQLQIEISA-N	-1	0	304.354	0.795	20	30		DCEDRM
CCC(=O)N1CC[C@H](C(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC001342557487	953295039	/nfs/dbraw/zinc/29/50/39/953295039.db2.gz	IBDUMSGMSHWYQP-WDEREUQCSA-N	-1	0	302.334	0.570	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(N2CCNC2=O)c1	ZINC001342624275	953299276	/nfs/dbraw/zinc/29/92/76/953299276.db2.gz	RPINDISIGJYITP-ZDUSSCGKSA-N	-1	0	312.329	0.817	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCCN(C2CC2)C1=O	ZINC001342975259	953316047	/nfs/dbraw/zinc/31/60/47/953316047.db2.gz	QKRUGNKTXHKFOL-NEPJUHHUSA-N	-1	0	314.345	0.713	20	30		DCEDRM
Cn1nc2c(c1/C=C/C(=O)c1cnc([O-])n(C)c1=O)COCC2	ZINC001343346905	953339299	/nfs/dbraw/zinc/33/92/99/953339299.db2.gz	HWUXTNNWSLOEOH-ONEGZZNKSA-N	-1	0	316.317	0.188	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1	ZINC001343672698	953363353	/nfs/dbraw/zinc/36/33/53/953363353.db2.gz	IEXAGUUTOHOZQI-UHFFFAOYSA-N	-1	0	306.347	0.577	20	30		DCEDRM
CCc1nc(C#N)cc(N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1	ZINC001593647368	953681944	/nfs/dbraw/zinc/68/19/44/953681944.db2.gz	BVQQRIOFSHIQKU-LLVKDONJSA-N	-1	0	317.349	0.788	20	30		DCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1	ZINC001346461913	953895823	/nfs/dbraw/zinc/89/58/23/953895823.db2.gz	GPANYRZXPHWMRO-UHFFFAOYSA-N	-1	0	309.347	0.674	20	30		DCEDRM
CN(C)C(=O)O[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001593687053	953994932	/nfs/dbraw/zinc/99/49/32/953994932.db2.gz	QTJHVXSJNNBFNC-YGRLFVJLSA-N	-1	0	311.338	0.680	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC[C@@H]1C(=O)[O-]	ZINC001589365128	954183909	/nfs/dbraw/zinc/18/39/09/954183909.db2.gz	GYIJVAKLCZBDEO-WOPDTQHZSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2(CCOCC2)O1	ZINC001589366585	954201043	/nfs/dbraw/zinc/20/10/43/954201043.db2.gz	OYMWGPSZNSPNEC-FZMZJTMJSA-N	-1	0	310.350	0.787	20	30		DCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2(CCOCC2)O1	ZINC001589366586	954201204	/nfs/dbraw/zinc/20/12/04/954201204.db2.gz	OYMWGPSZNSPNEC-RISCZKNCSA-N	-1	0	310.350	0.787	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cn2)C[C@@H](C)N1CC#N	ZINC001589392351	954334273	/nfs/dbraw/zinc/33/42/73/954334273.db2.gz	NXSSEXDYGDZMBZ-GHMZBOCLSA-N	-1	0	302.334	0.838	20	30		DCEDRM
CN(Cc1ccccc1)C(=O)[C@H](C#N)C(=O)COCC(=O)[O-]	ZINC001593760044	954476538	/nfs/dbraw/zinc/47/65/38/954476538.db2.gz	OEZVNAKPXLRNKE-GFCCVEGCSA-N	-1	0	304.302	0.455	20	30		DCEDRM
CC[C@H](C(=O)[O-])N(C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC001589441169	954718778	/nfs/dbraw/zinc/71/87/78/954718778.db2.gz	VNPXHBIJSBTGCA-ZIAGYGMSSA-N	-1	0	324.425	0.474	20	30		DCEDRM
COC(=O)[C@H](CC(F)(F)F)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001593808339	954918853	/nfs/dbraw/zinc/91/88/53/954918853.db2.gz	VKXRZCDJLZBJBJ-QUBYGPBYSA-N	-1	0	310.228	0.601	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001284229040	954944045	/nfs/dbraw/zinc/94/40/45/954944045.db2.gz	RFJMFMGLMXURMB-PSASIEDQSA-N	-1	0	310.354	0.249	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001284288474	954989415	/nfs/dbraw/zinc/98/94/15/954989415.db2.gz	LEDGERYTFFZIFW-QMMMGPOBSA-N	-1	0	323.353	0.120	20	30		DCEDRM
CC[C@@H](CNC(=O)N1CCC(C#N)(C(=O)OC)CC1)C(=O)[O-]	ZINC001589527007	955127935	/nfs/dbraw/zinc/12/79/35/955127935.db2.gz	QQNUPSSPPWQEBF-JTQLQIEISA-N	-1	0	311.338	0.586	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)[C@]1(C#N)CC12CCCC2	ZINC001593835963	955181343	/nfs/dbraw/zinc/18/13/43/955181343.db2.gz	NOZBLZUWEFTFIJ-OAHLLOKOSA-N	-1	0	308.334	0.937	20	30		DCEDRM
C=CC[C@H](NC(=O)N[C@@H](COC)C1CCOCC1)C(=O)[O-]	ZINC001351010203	955235365	/nfs/dbraw/zinc/23/53/65/955235365.db2.gz	GSKLYVVFKVYXBJ-RYUDHWBXSA-N	-1	0	300.355	0.757	20	30		DCEDRM
Cn1ccnc1[C@@H]1C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC001594556323	955763754	/nfs/dbraw/zinc/76/37/54/955763754.db2.gz	ZMDFHCOLUFTLKC-PGUXBMHVSA-N	-1	0	320.349	0.761	20	30		DCEDRM
C=C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)c1ccccc1	ZINC001353016173	955875348	/nfs/dbraw/zinc/87/53/48/955875348.db2.gz	YNLCJUJMRTZEJP-UHFFFAOYSA-N	-1	0	317.345	0.638	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1ccccc1-n1ncc(C#N)c1N	ZINC001593913759	956001972	/nfs/dbraw/zinc/00/19/72/956001972.db2.gz	WYXJFNXWNBCHLK-LLVKDONJSA-N	-1	0	315.289	0.364	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC001594588749	956025200	/nfs/dbraw/zinc/02/52/00/956025200.db2.gz	JRSNRJLIIIUXSO-YUMQZZPRSA-N	-1	0	319.243	0.690	20	30		DCEDRM
N#CC1(CNC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1	ZINC001594603591	956156443	/nfs/dbraw/zinc/15/64/43/956156443.db2.gz	GAOLYAVSMREDMT-JTQLQIEISA-N	-1	0	308.338	0.055	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@](C)(NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001286086170	956156988	/nfs/dbraw/zinc/15/69/88/956156988.db2.gz	FMVUJBUECTXKBX-MRXNPFEDSA-N	-1	0	316.361	0.558	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C(C)C	ZINC001593929689	956158813	/nfs/dbraw/zinc/15/88/13/956158813.db2.gz	CNCDCRQHBGLAGL-CHWSQXEVSA-N	-1	0	300.311	0.074	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC001594606105	956177559	/nfs/dbraw/zinc/17/75/59/956177559.db2.gz	OULFGAXZMCOVTG-NSHDSACASA-N	-1	0	307.350	0.510	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)c2ccc(C(=O)[O-])nc2)C1	ZINC001594609544	956193441	/nfs/dbraw/zinc/19/34/41/956193441.db2.gz	DGLQNXOLSINSCU-NSHDSACASA-N	-1	0	302.334	0.745	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N(CC(=O)[O-])CC2CC2)cc1	ZINC001594617923	956256650	/nfs/dbraw/zinc/25/66/50/956256650.db2.gz	SCAFCDBTJPZHPB-UHFFFAOYSA-N	-1	0	315.329	0.611	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CN[C@]2(C(=O)[O-])CCOC2)c1	ZINC001594626167	956316408	/nfs/dbraw/zinc/31/64/08/956316408.db2.gz	UYBMNJDMECYTDJ-OAHLLOKOSA-N	-1	0	303.318	0.008	20	30		DCEDRM
N#Cc1cccc(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1	ZINC001594626185	956316649	/nfs/dbraw/zinc/31/66/49/956316649.db2.gz	VFBQZGOLBGELBI-CZUORRHYSA-N	-1	0	300.314	0.660	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001594631447	956342000	/nfs/dbraw/zinc/34/20/00/956342000.db2.gz	BDDBCDXBOSLKEJ-GFCCVEGCSA-N	-1	0	318.285	0.166	20	30		DCEDRM
N#Cc1ccsc1N1CC[C@@H](OC(=O)COCC(=O)[O-])C1=O	ZINC001594632106	956349478	/nfs/dbraw/zinc/34/94/78/956349478.db2.gz	UGOADCCCUOEVCF-SECBINFHSA-N	-1	0	324.314	0.369	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(C[C@H]2C[C@H]3C=C[C@@H]2C3)c1=O	ZINC001594632832	956354334	/nfs/dbraw/zinc/35/43/34/956354334.db2.gz	DMWUWEVCJVBLGM-HBNTYKKESA-N	-1	0	301.302	0.178	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)CNc2ccc(C#N)cn2)C1	ZINC001593961892	956493621	/nfs/dbraw/zinc/49/36/21/956493621.db2.gz	VMLRYOVKTFURMI-HNNXBMFYSA-N	-1	0	318.333	0.315	20	30		DCEDRM
CC1(C#N)CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	ZINC001589181507	956524436	/nfs/dbraw/zinc/52/44/36/956524436.db2.gz	KNKCNUTWNUKDID-NSHDSACASA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)C1	ZINC001589188027	956574170	/nfs/dbraw/zinc/57/41/70/956574170.db2.gz	PBQLEVGPLGDRDO-IAQYHMDHSA-N	-1	0	307.350	0.462	20	30		DCEDRM
CN(Cc1cccnc1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001463649630	1013152186	/nfs/dbraw/zinc/15/21/86/1013152186.db2.gz	ISEZBQOBMLDZHN-UHFFFAOYSA-N	-1	0	313.317	0.264	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])cc1	ZINC001326459587	957322365	/nfs/dbraw/zinc/32/23/65/957322365.db2.gz	SPFHXEVRDKHHBD-JTQLQIEISA-N	-1	0	304.302	0.617	20	30		DCEDRM
C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1	ZINC001603166207	972262905	/nfs/dbraw/zinc/26/29/05/972262905.db2.gz	GRIBZKRFPSMJTO-MCYUEQNJSA-N	-1	0	311.382	0.605	20	30		DCEDRM
Cc1nc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)ccc1[C@@H](C)O	ZINC001413883826	957515815	/nfs/dbraw/zinc/51/58/15/957515815.db2.gz	CUVRPYWXGCNMDA-SECBINFHSA-N	-1	0	315.333	0.314	20	30		DCEDRM
C#CCCCCC(=O)N(C)C1CN(C(=O)c2cnc[nH]c2=O)C1	ZINC001358726675	957586629	/nfs/dbraw/zinc/58/66/29/957586629.db2.gz	NGTCLLWNHVIWSP-UHFFFAOYSA-N	-1	0	316.361	0.659	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](NC(=O)C#CC(C)C)C2CC2)c1[O-]	ZINC001294880299	957604161	/nfs/dbraw/zinc/60/41/61/957604161.db2.gz	WGSOIUGFZAAGFM-LBPRGKRZSA-N	-1	0	318.377	0.708	20	30		DCEDRM
COCCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC(C(=O)[O-])CC1	ZINC001594024145	957691977	/nfs/dbraw/zinc/69/19/77/957691977.db2.gz	LZNLBXHISGPXQX-VXGBXAGGSA-N	-1	0	319.365	0.853	20	30		DCEDRM
N#CCc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001463728646	1013159559	/nfs/dbraw/zinc/15/95/59/1013159559.db2.gz	XFINUXQNHBONQA-UHFFFAOYSA-N	-1	0	309.285	0.525	20	30		DCEDRM
CON(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H](C)C(=O)[O-]	ZINC001594034670	957799569	/nfs/dbraw/zinc/79/95/69/957799569.db2.gz	FMNGQTOJAUYRLS-VIFPVBQESA-N	-1	0	305.290	0.151	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)NCCCCC(=O)[O-]	ZINC001594049192	957962813	/nfs/dbraw/zinc/96/28/13/957962813.db2.gz	JFYNOITWKLZUOK-UHFFFAOYSA-N	-1	0	319.317	0.876	20	30		DCEDRM
C#C[C@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCOCC1	ZINC001588372167	957964242	/nfs/dbraw/zinc/96/42/42/957964242.db2.gz	FBDBEDIKBXXQIE-ZDUSSCGKSA-N	-1	0	324.377	0.595	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001594049445	957966970	/nfs/dbraw/zinc/96/69/70/957966970.db2.gz	VHTKVEOITYGOHS-JTQLQIEISA-N	-1	0	317.301	0.438	20	30		DCEDRM
C#C[C@@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1CCOCC1	ZINC001588385853	957973881	/nfs/dbraw/zinc/97/38/81/957973881.db2.gz	KDKHNHDSJXCGRW-ZENOOKHLSA-N	-1	0	322.361	0.157	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])ncc1C#N	ZINC001594313301	958048976	/nfs/dbraw/zinc/04/89/76/958048976.db2.gz	HBSGDOLEHRODHP-SNVBAGLBSA-N	-1	0	302.290	0.276	20	30		DCEDRM
COCC[C@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(N)=O	ZINC001361570430	958095575	/nfs/dbraw/zinc/09/55/75/958095575.db2.gz	CLSBMENWOGIKOY-VIFPVBQESA-N	-1	0	324.362	0.001	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCOC2(CCOCC2)C1	ZINC001588410459	958139424	/nfs/dbraw/zinc/13/94/24/958139424.db2.gz	VEMIFOPNDKDZTR-GFCCVEGCSA-N	-1	0	310.350	0.444	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(CC(=O)OC)cc1	ZINC001588411098	958146474	/nfs/dbraw/zinc/14/64/74/958146474.db2.gz	KHZKFHPZXDQTTD-UHFFFAOYSA-N	-1	0	304.302	0.954	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(F)c(NC(N)=O)c1	ZINC001588411385	958149168	/nfs/dbraw/zinc/14/91/68/958149168.db2.gz	YIDBGQYWMLSCNY-UHFFFAOYSA-N	-1	0	308.269	0.868	20	30		DCEDRM
Cc1cc(NC(=O)c2cnc(C(=O)[O-])cn2)n(CCC#N)n1	ZINC001594324944	958155286	/nfs/dbraw/zinc/15/52/86/958155286.db2.gz	LAVXDOLOYYJQQA-UHFFFAOYSA-N	-1	0	300.278	0.846	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(N2CCNC2=O)c(C)c1	ZINC001588415888	958159832	/nfs/dbraw/zinc/15/98/32/958159832.db2.gz	CGUCDLNYAFZMKU-UHFFFAOYSA-N	-1	0	315.329	0.685	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(C2CCCC2)nc1N	ZINC001588418392	958177178	/nfs/dbraw/zinc/17/71/78/958177178.db2.gz	DIYLFKPIXRPCNS-UHFFFAOYSA-N	-1	0	302.334	0.876	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2nccs2)n1CCOC	ZINC001588426451	958229485	/nfs/dbraw/zinc/22/94/85/958229485.db2.gz	KGPUJLQMULJFHF-UHFFFAOYSA-N	-1	0	321.362	0.572	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CC2CC2)n1C[C@H]1CCOC1	ZINC001588426935	958236496	/nfs/dbraw/zinc/23/64/96/958236496.db2.gz	HJZZXHAPKPHKRY-CYBMUJFWSA-N	-1	0	318.377	0.791	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(F)F)n1C[C@@H]1CCOC1	ZINC001588427186	958240962	/nfs/dbraw/zinc/24/09/62/958240962.db2.gz	PSTUCIYYMDAFLC-VIFPVBQESA-N	-1	0	314.292	0.776	20	30		DCEDRM
C#CCNC(=S)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001588430364	958255174	/nfs/dbraw/zinc/25/51/74/958255174.db2.gz	BHNWODCOOBFUDA-XIRUVYRFSA-N	-1	0	310.375	0.080	20	30		DCEDRM
C#CCOCCn1nnnc1N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001588431775	958274339	/nfs/dbraw/zinc/27/43/39/958274339.db2.gz	XFGVXWTUAKQXOG-LBPRGKRZSA-N	-1	0	307.354	0.404	20	30		DCEDRM
C#Cc1cncc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1	ZINC001588439189	958312422	/nfs/dbraw/zinc/31/24/22/958312422.db2.gz	IVEGTXIRXSEZAC-JTQLQIEISA-N	-1	0	303.318	0.114	20	30		DCEDRM
N#C[C@]1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC12CCCC2	ZINC001361785772	958331120	/nfs/dbraw/zinc/33/11/20/958331120.db2.gz	SGASUPYVMPEOQT-YGRLFVJLSA-N	-1	0	302.338	0.574	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)C(=O)OC	ZINC001588442279	958343720	/nfs/dbraw/zinc/34/37/20/958343720.db2.gz	QNQAUEGPKUQVHG-TUAOUCFPSA-N	-1	0	313.350	0.880	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588443092	958350465	/nfs/dbraw/zinc/35/04/65/958350465.db2.gz	XXEGHMBSNXMBCR-WYUUTHIRSA-N	-1	0	310.350	0.063	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)cc1C#N	ZINC001361860135	958416492	/nfs/dbraw/zinc/41/64/92/958416492.db2.gz	ADWCGXLUQYILEC-IONNQARKSA-N	-1	0	320.374	0.765	20	30		DCEDRM
C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)[O-])ccc1F	ZINC001588465155	958496450	/nfs/dbraw/zinc/49/64/50/958496450.db2.gz	NJIBWPDXCJTMTQ-UHFFFAOYSA-N	-1	0	317.294	0.531	20	30		DCEDRM
C=CCn1c([C@@H](C)CO)nnc1N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588470753	958531085	/nfs/dbraw/zinc/53/10/85/958531085.db2.gz	URHCRBFHNWYKRJ-XHDPSFHLSA-N	-1	0	324.381	0.487	20	30		DCEDRM
COC(C)(C)C[C@@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361954579	958534533	/nfs/dbraw/zinc/53/45/33/958534533.db2.gz	YNYCGCMBSROWNP-SNVBAGLBSA-N	-1	0	322.365	0.530	20	30		DCEDRM
C=CCn1c([C@H]2COCCO2)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588471604	958535715	/nfs/dbraw/zinc/53/57/15/958535715.db2.gz	BYTUFCLJYFBUFQ-GFCCVEGCSA-N	-1	0	322.365	0.853	20	30		DCEDRM
C[C@H]1c2cccn2CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362049173	958653503	/nfs/dbraw/zinc/65/35/03/958653503.db2.gz	VHRMDYFLFMXZSI-JTQLQIEISA-N	-1	0	313.317	0.225	20	30		DCEDRM
C[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC(C)(C)O1	ZINC001362082015	958708139	/nfs/dbraw/zinc/70/81/39/958708139.db2.gz	DDEVQIQVNMCLII-SNVBAGLBSA-N	-1	0	320.349	0.237	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC2(CCNC(=O)O2)CC1	ZINC001588535933	958932505	/nfs/dbraw/zinc/93/25/05/958932505.db2.gz	SOHLBNSUUPKZPY-ZDUSSCGKSA-N	-1	0	309.322	0.482	20	30		DCEDRM
COC(=O)C1(O)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001362220356	958950178	/nfs/dbraw/zinc/95/01/78/958950178.db2.gz	CMSLGPSFHVZAEV-UHFFFAOYSA-N	-1	0	319.317	0.107	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccnc(-n2cncn2)c1	ZINC001588541996	958967427	/nfs/dbraw/zinc/96/74/27/958967427.db2.gz	PKEMTMBHXACFPR-CQSZACIVSA-N	-1	0	314.305	0.283	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nc(C(F)(F)F)no1	ZINC001588542146	958968659	/nfs/dbraw/zinc/96/86/59/958968659.db2.gz	SQSJPWNZMIHHEF-SECBINFHSA-N	-1	0	306.200	0.709	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC1	ZINC001588543627	958981995	/nfs/dbraw/zinc/98/19/95/958981995.db2.gz	OMWQGRCZYZPWIC-FTGAXOIBSA-N	-1	0	308.334	0.839	20	30		DCEDRM
C[C@@H]1C[C@@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001362240405	958983376	/nfs/dbraw/zinc/98/33/76/958983376.db2.gz	BWMTZDLQSUSYJZ-MNOVXSKESA-N	-1	0	320.349	0.142	20	30		DCEDRM
COC(=O)[C@@]1(F)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362419654	959319410	/nfs/dbraw/zinc/31/94/10/959319410.db2.gz	OMQVDOSHGRUMLG-CQSZACIVSA-N	-1	0	307.281	0.695	20	30		DCEDRM
COCC[C@@]1(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CCOC1	ZINC001362581828	959638646	/nfs/dbraw/zinc/63/86/46/959638646.db2.gz	IUNXIKASXBDPJK-OAHLLOKOSA-N	-1	0	305.334	0.893	20	30		DCEDRM
C[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001362723140	959890417	/nfs/dbraw/zinc/89/04/17/959890417.db2.gz	BMBJYVJGQAAEAS-JTQLQIEISA-N	-1	0	304.350	0.906	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC2CCC(C#N)CC2)c(=O)[n-]c1=O	ZINC001362726555	959896659	/nfs/dbraw/zinc/89/66/59/959896659.db2.gz	AKWDFIUPCJVLRE-UHFFFAOYSA-N	-1	0	315.333	0.267	20	30		DCEDRM
N#CCc1ccsc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001362726514	959896812	/nfs/dbraw/zinc/89/68/12/959896812.db2.gz	AGDPEGLDUNPLOZ-UHFFFAOYSA-N	-1	0	318.362	0.451	20	30		DCEDRM
CC(C)(C)OC(=O)c1cc(C(=O)n2ncc(C#N)c2N)n[n-]1	ZINC001301625103	960006790	/nfs/dbraw/zinc/00/67/90/960006790.db2.gz	MTVSNGFGXUZVDL-UHFFFAOYSA-N	-1	0	302.294	0.704	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](c2nc[nH]n2)c2ccccc2)c(C#N)c1=O	ZINC001307090842	960138742	/nfs/dbraw/zinc/13/87/42/960138742.db2.gz	XOYGUUKZJAZKAD-LLVKDONJSA-N	-1	0	323.316	0.265	20	30		DCEDRM
CN(Cc1ccns1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362941090	960203550	/nfs/dbraw/zinc/20/35/50/960203550.db2.gz	YPASQLDZLDGJGA-UHFFFAOYSA-N	-1	0	319.346	0.326	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2COCCN2C2CCCC2)[n-]c1C#N	ZINC001362971673	960243063	/nfs/dbraw/zinc/24/30/63/960243063.db2.gz	PUELKIAORHLFFS-CYBMUJFWSA-N	-1	0	314.349	0.735	20	30		DCEDRM
Cn1cc(Cl)cc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363125693	960436613	/nfs/dbraw/zinc/43/66/13/960436613.db2.gz	BGPJJCUTBVPLMR-UHFFFAOYSA-N	-1	0	321.724	0.242	20	30		DCEDRM
C[C@@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccsc1	ZINC001363130386	960442515	/nfs/dbraw/zinc/44/25/15/960442515.db2.gz	WSQUDOFKSQGNMQ-SECBINFHSA-N	-1	0	318.358	0.802	20	30		DCEDRM
Cc1cc(F)ccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363128893	960444044	/nfs/dbraw/zinc/44/40/44/960444044.db2.gz	ODJCVIFRQGUILF-UHFFFAOYSA-N	-1	0	316.292	0.698	20	30		DCEDRM
COc1nc(C)cc(C)c1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363137217	960457107	/nfs/dbraw/zinc/45/71/07/960457107.db2.gz	OVLSRTOLZQJEHT-UHFFFAOYSA-N	-1	0	315.333	0.578	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc(OCC#N)cc2)c(C#N)c1=O	ZINC001363140334	960464395	/nfs/dbraw/zinc/46/43/95/960464395.db2.gz	WZJLEJKSQWAMHN-UHFFFAOYSA-N	-1	0	311.301	0.460	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@H](c3ncccn3)C2)c(C#N)c1=O	ZINC001363162009	960511116	/nfs/dbraw/zinc/51/11/16/960511116.db2.gz	KCTJDWDTSLNFHQ-JTQLQIEISA-N	-1	0	312.333	0.119	20	30		DCEDRM
CC(C)[C@@H]1C[C@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363234514	960663213	/nfs/dbraw/zinc/66/32/13/960663213.db2.gz	QMBFBXLBGDTAEE-JQWIXIFHSA-N	-1	0	304.350	0.619	20	30		DCEDRM
CSC[C@@](C)(C#N)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001604957306	972531011	/nfs/dbraw/zinc/53/10/11/972531011.db2.gz	CGNIREFOSFDCGL-CYBMUJFWSA-N	-1	0	309.347	0.308	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@H](c2nn[nH]n2)C1	ZINC001363293411	960811188	/nfs/dbraw/zinc/81/11/88/960811188.db2.gz	WBABOAFRYQCANC-QWHCGFSZSA-N	-1	0	312.333	0.775	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001571080485	960999567	/nfs/dbraw/zinc/99/95/67/960999567.db2.gz	WWXZUXRHGGMVES-CQSZACIVSA-N	-1	0	303.274	0.905	20	30		DCEDRM
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363434345	961147757	/nfs/dbraw/zinc/14/77/57/961147757.db2.gz	JHNSEFFOHADRMN-RSLMWUCJSA-N	-1	0	316.361	0.619	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H]2CCCC23CC3)c(=O)[n-]c1=O	ZINC001363484691	961251379	/nfs/dbraw/zinc/25/13/79/961251379.db2.gz	SOZSZUSVOIBQTD-LLVKDONJSA-N	-1	0	302.334	0.517	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC001332125485	961466754	/nfs/dbraw/zinc/46/67/54/961466754.db2.gz	QLLUHQULUYUUSZ-GFCCVEGCSA-N	-1	0	318.395	0.305	20	30		DCEDRM
N#CC1(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CCSCC1	ZINC001571124080	961480736	/nfs/dbraw/zinc/48/07/36/961480736.db2.gz	YPXNHZADIVPLOE-VIFPVBQESA-N	-1	0	314.363	0.356	20	30		DCEDRM
CS(=O)(=O)C1(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCCC1	ZINC001363648406	961623266	/nfs/dbraw/zinc/62/32/66/961623266.db2.gz	YFQHPWIJOBJJLO-UHFFFAOYSA-N	-1	0	307.335	0.449	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001571138241	961633813	/nfs/dbraw/zinc/63/38/13/961633813.db2.gz	STGMBTIUECFMBL-GVXVVHGQSA-N	-1	0	317.411	0.755	20	30		DCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)nc1	ZINC001574485180	961676331	/nfs/dbraw/zinc/67/63/31/961676331.db2.gz	COINDJHPAGZVMO-WCQYABFASA-N	-1	0	303.318	0.839	20	30		DCEDRM
N#Cc1ccc(CN2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)s1	ZINC001571143870	961699314	/nfs/dbraw/zinc/69/93/14/961699314.db2.gz	AKATWDBNDQBWKJ-STQMWFEESA-N	-1	0	319.386	0.985	20	30		DCEDRM
C[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H](C)CCO1	ZINC001363707230	961735243	/nfs/dbraw/zinc/73/52/43/961735243.db2.gz	LKULTNCUNPLERH-GHMZBOCLSA-N	-1	0	320.349	0.237	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC(C)(C)C2(O)CCCC2)c(C#N)c1=O	ZINC001363738273	961787516	/nfs/dbraw/zinc/78/75/16/961787516.db2.gz	ZDUXLHVHMBGQEZ-UHFFFAOYSA-N	-1	0	306.366	0.688	20	30		DCEDRM
C#C[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[C@H]1CCCO1	ZINC001336084859	961947230	/nfs/dbraw/zinc/94/72/30/961947230.db2.gz	WYWRBSWRBURRNK-RFQIPJPRSA-N	-1	0	306.362	0.919	20	30		DCEDRM
C[C@H]1CN(CCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCO1	ZINC001571166320	962001272	/nfs/dbraw/zinc/00/12/72/962001272.db2.gz	VJAPMRZGJBWEHZ-LBPRGKRZSA-N	-1	0	324.381	0.107	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](Cn2ccnn2)C1	ZINC001363931429	962145225	/nfs/dbraw/zinc/14/52/25/962145225.db2.gz	ZDYAPQTUHKXFIA-NSHDSACASA-N	-1	0	312.333	0.721	20	30		DCEDRM
CCC(C)(C)OC1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001364025495	962319121	/nfs/dbraw/zinc/31/91/21/962319121.db2.gz	SXKIZKGKPQBXEZ-UHFFFAOYSA-N	-1	0	320.349	0.237	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Nc2ccc(F)cc2)c(=O)[n-]c1=O	ZINC001364080668	962430519	/nfs/dbraw/zinc/43/05/19/962430519.db2.gz	PQDKQWLFQZZZMF-UHFFFAOYSA-N	-1	0	317.280	0.781	20	30		DCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@H](O)c1ccc(F)cc1	ZINC001364167488	962600514	/nfs/dbraw/zinc/60/05/14/962600514.db2.gz	FHNPIZIUXIBVSC-UFBFGSQYSA-N	-1	0	318.308	0.618	20	30		DCEDRM
C#CCN(C(=O)CNC(=O)[O-])C1CCN(C(=O)[C@H]2C[C@@H]2C)CC1	ZINC001573301409	962626780	/nfs/dbraw/zinc/62/67/80/962626780.db2.gz	AIODFOAFDJITGN-AAEUAGOBSA-N	-1	0	321.377	0.363	20	30		DCEDRM
COCCN(CC(=O)[O-])C(=O)C(=O)/C=C/c1ccc(F)cc1	ZINC001574149660	962643996	/nfs/dbraw/zinc/64/39/96/962643996.db2.gz	IWXAKNWOAOUEKL-QPJJXVBHSA-N	-1	0	309.293	0.968	20	30		DCEDRM
C#CCC1(C(=O)N[C@@H](C)CCNC(=O)CNC(=O)[O-])CCC1	ZINC001573302570	962657276	/nfs/dbraw/zinc/65/72/76/962657276.db2.gz	CKUUISWCJRNPKF-NSHDSACASA-N	-1	0	309.366	0.459	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H](C)CN(C)c1ncc(C(=O)[O-])cn1	ZINC001573310730	962689146	/nfs/dbraw/zinc/68/91/46/962689146.db2.gz	BXZDNEVQWVDJAJ-NSHDSACASA-N	-1	0	320.349	0.156	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)cc1	ZINC001573313669	962734248	/nfs/dbraw/zinc/73/42/48/962734248.db2.gz	ORWMPOHUXUHGOR-CQSZACIVSA-N	-1	0	309.343	0.438	20	30		DCEDRM
C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@@H](C)C(=O)[O-])c1	ZINC001573313633	962735015	/nfs/dbraw/zinc/73/50/15/962735015.db2.gz	NEKTYRUJTBJTTA-JTQLQIEISA-N	-1	0	303.318	0.721	20	30		DCEDRM
C=C(Br)CN1CCC[C@@H](NC(=O)CNC(=O)[O-])C1	ZINC001573313937	962738627	/nfs/dbraw/zinc/73/86/27/962738627.db2.gz	UNQWLPNOWXPBAG-SECBINFHSA-N	-1	0	320.187	0.743	20	30		DCEDRM
Cc1cc(CO)cc(C)c1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364252736	962755612	/nfs/dbraw/zinc/75/56/12/962755612.db2.gz	WKNFDZBTOOJEDI-UHFFFAOYSA-N	-1	0	314.345	0.667	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)s1)C(=O)[O-]	ZINC000275048486	962819092	/nfs/dbraw/zinc/81/90/92/962819092.db2.gz	RYYZAXBOMNRTSD-SSDOTTSWSA-N	-1	0	317.344	0.290	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(C(=O)N2CCOCC2)CC1	ZINC001573332033	962823150	/nfs/dbraw/zinc/82/31/50/962823150.db2.gz	HAZWXOPUYNHUQB-UHFFFAOYSA-N	-1	0	324.377	0.505	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)C(=O)[O-]	ZINC000275079046	962823277	/nfs/dbraw/zinc/82/32/77/962823277.db2.gz	YFEHPEIGRAOKMV-BXKDBHETSA-N	-1	0	309.343	0.765	20	30		DCEDRM
C=C1CC(C)(C(=O)NC2CC(N(C)C(=O)CNC(=O)[O-])C2)C1	ZINC001573343701	962908291	/nfs/dbraw/zinc/90/82/91/962908291.db2.gz	IUSYVQDEBILBQM-UHFFFAOYSA-N	-1	0	309.366	0.716	20	30		DCEDRM
C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)CNC(=O)[O-]	ZINC001573353524	963003645	/nfs/dbraw/zinc/00/36/45/963003645.db2.gz	XZPAUXYFULHAMA-NEPJUHHUSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCSc1n[nH]c(C)n1)C(=O)[O-]	ZINC001573369745	963101518	/nfs/dbraw/zinc/10/15/18/963101518.db2.gz	ZDSHAIXTBZFYNU-VIFPVBQESA-N	-1	0	314.367	0.367	20	30		DCEDRM
CC(C)(CC#N)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000315544920	963913264	/nfs/dbraw/zinc/91/32/64/963913264.db2.gz	HVIQJHWMTOULBI-UHFFFAOYSA-N	-1	0	303.384	0.557	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001588435651	964025293	/nfs/dbraw/zinc/02/52/93/964025293.db2.gz	WOOKZPFEJGTCTO-LBPRGKRZSA-N	-1	0	306.274	0.797	20	30		DCEDRM
C#CCCCCCC(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588440942	964048329	/nfs/dbraw/zinc/04/83/29/964048329.db2.gz	ZSUPEDWERXAUES-KGLIPLIRSA-N	-1	0	320.389	0.865	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)Cc2ccc(C#N)cc2)CCO1	ZINC001593976839	970167699	/nfs/dbraw/zinc/16/76/99/970167699.db2.gz	XYEYVDVKRGHWSK-MRXNPFEDSA-N	-1	0	318.329	0.429	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC(CO)(c2ccccc2)C1	ZINC001609691482	970449171	/nfs/dbraw/zinc/44/91/71/970449171.db2.gz	RUEYMVOPCVNGHC-OAHLLOKOSA-N	-1	0	302.330	0.763	20	30		DCEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NCc1ccco1	ZINC001609972892	970624695	/nfs/dbraw/zinc/62/46/95/970624695.db2.gz	QQJVIQVNSLNKCZ-XPTSAGLGSA-N	-1	0	308.290	0.832	20	30		DCEDRM
C[C@@H]1CN(C(=O)NC2CCN(CC#N)CC2)CC[C@H]1C(=O)[O-]	ZINC001603442861	973236179	/nfs/dbraw/zinc/23/61/79/973236179.db2.gz	LBVOASHYNOQFIG-DGCLKSJQSA-N	-1	0	308.382	0.727	20	30		DCEDRM
Cc1noc([C@@H]2OCC[C@@H]2NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001605449759	973533064	/nfs/dbraw/zinc/53/30/64/973533064.db2.gz	LCDZJNQCZWCOMG-IYYTYJHQSA-N	-1	0	308.294	0.329	20	30		DCEDRM
Cc1nsc(N2CCN(C(=O)CCC(=O)[O-])CC2)c1C#N	ZINC001605455261	973542270	/nfs/dbraw/zinc/54/22/70/973542270.db2.gz	DSLONVKVOFOFCJ-UHFFFAOYSA-N	-1	0	308.363	0.837	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)s1	ZINC000401979428	973588594	/nfs/dbraw/zinc/58/85/94/973588594.db2.gz	ZRWRQJVZHFIFIF-HTQZYQBOSA-N	-1	0	316.360	0.076	20	30		DCEDRM
CON=Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cc1	ZINC001604662236	973842911	/nfs/dbraw/zinc/84/29/11/973842911.db2.gz	ZASJPHMQBNNFFO-ZDUSSCGKSA-N	-1	0	316.317	0.956	20	30		DCEDRM
N#CCc1cccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1	ZINC001605601274	973901656	/nfs/dbraw/zinc/90/16/56/973901656.db2.gz	GTXBOABNNJPSAF-GFCCVEGCSA-N	-1	0	322.342	0.076	20	30		DCEDRM
N#Cc1ccsc1NC(=O)NCCOCCOCC(=O)[O-]	ZINC001605623020	973947125	/nfs/dbraw/zinc/94/71/25/973947125.db2.gz	PMCBGBJQSVYQSP-UHFFFAOYSA-N	-1	0	313.335	0.859	20	30		DCEDRM
CC[C@H](NC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F)C(=O)[O-]	ZINC001603938169	974425263	/nfs/dbraw/zinc/42/52/63/974425263.db2.gz	JIEASTDWLIZKIY-VIFPVBQESA-N	-1	0	323.280	0.624	20	30		DCEDRM
C=CCC(C)(C)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001528143283	1014213854	/nfs/dbraw/zinc/21/38/54/1014213854.db2.gz	TVEPKSNOWGSLJE-UHFFFAOYSA-N	-1	0	323.353	0.073	20	30		DCEDRM
CC(C)[C@H](NC(=O)CN1C[C@H](C)N(CC#N)[C@@H](C)C1)C(=O)[O-]	ZINC001591868656	976193338	/nfs/dbraw/zinc/19/33/38/976193338.db2.gz	YNZVLWNOIZUMHG-OBJOEFQTSA-N	-1	0	310.398	0.130	20	30		DCEDRM
C[C@H](CC#N)C(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)[O-]	ZINC001592213172	977272303	/nfs/dbraw/zinc/27/23/03/977272303.db2.gz	WOAACGCJIBPDEE-BBBLOLIVSA-N	-1	0	313.379	0.417	20	30		DCEDRM
CC[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)C(=O)[O-]	ZINC001595132575	979558181	/nfs/dbraw/zinc/55/81/81/979558181.db2.gz	BHUJBUHMBMPKGY-VIFPVBQESA-N	-1	0	304.306	0.427	20	30		DCEDRM
C[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ncn(C)n1	ZINC001593052760	980357909	/nfs/dbraw/zinc/35/79/09/980357909.db2.gz	RVBKNIZXZFTLDA-SECBINFHSA-N	-1	0	306.326	0.276	20	30		DCEDRM
CCCC[C@@H](ON=C(C)C)C(=O)NCC(=O)NCC(=O)[O-]	ZINC001595652800	982037082	/nfs/dbraw/zinc/03/70/82/982037082.db2.gz	XXULTWLPDCRTKB-SNVBAGLBSA-N	-1	0	301.343	0.275	20	30		DCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-]	ZINC001588368767	983307691	/nfs/dbraw/zinc/30/76/91/983307691.db2.gz	SAMFVJITZSWKPE-ZCFIWIBFSA-N	-1	0	317.344	0.533	20	30		DCEDRM
C#C[C@@H]([C@H]1CCCO1)N1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O	ZINC001588369646	983315946	/nfs/dbraw/zinc/31/59/46/983315946.db2.gz	RUMJUIJRCPUUJA-LZUBYRBGSA-N	-1	0	320.345	0.733	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001588369896	983317876	/nfs/dbraw/zinc/31/78/76/983317876.db2.gz	ZUMWUOKWIUHFLE-MRVPVSSYSA-N	-1	0	318.285	0.580	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1ccc(F)cc1	ZINC001588377583	983358137	/nfs/dbraw/zinc/35/81/37/983358137.db2.gz	NGWPSAFELLKNBL-LBPRGKRZSA-N	-1	0	314.338	0.741	20	30		DCEDRM
C#CC1(O)CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)CC1	ZINC001588379741	983365420	/nfs/dbraw/zinc/36/54/20/983365420.db2.gz	PXAYZKCBKNWZST-UHFFFAOYSA-N	-1	0	308.378	0.350	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC001588383770	983383788	/nfs/dbraw/zinc/38/37/88/983383788.db2.gz	KCPSQXVXXPBPBK-CABCVRRESA-N	-1	0	316.357	0.974	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC001588393730	983399904	/nfs/dbraw/zinc/39/99/04/983399904.db2.gz	JLUMWJRXGVBKFJ-LLVKDONJSA-N	-1	0	318.329	0.786	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1[nH]nc(CC)c1Br)C(=O)[O-]	ZINC001588413855	983432621	/nfs/dbraw/zinc/43/26/21/983432621.db2.gz	JTXOSOLZAMVDFW-SSDOTTSWSA-N	-1	0	314.139	0.941	20	30		DCEDRM
C#CC[C@H](NC(=O)c1csc(-c2cnccn2)n1)C(=O)[O-]	ZINC001588421255	983440225	/nfs/dbraw/zinc/44/02/25/983440225.db2.gz	FBMDFMBDRLABJW-QMMMGPOBSA-N	-1	0	302.315	0.806	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)C(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001588434715	983472061	/nfs/dbraw/zinc/47/20/61/983472061.db2.gz	RHDDDLALZHEIHR-SECBINFHSA-N	-1	0	324.358	0.584	20	30		DCEDRM
C#CCCN1CCN(C(=O)Cc2ccc(C(=O)[O-])nc2)CC1	ZINC001588453658	983476999	/nfs/dbraw/zinc/47/69/99/983476999.db2.gz	LEGFZFFRNIZEFU-UHFFFAOYSA-N	-1	0	301.346	0.490	20	30		DCEDRM
C#CCCOc1ccc(C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])cc1	ZINC001588455167	983478753	/nfs/dbraw/zinc/47/87/53/983478753.db2.gz	FTZYMYRMHDVNQT-ZDUSSCGKSA-N	-1	0	319.313	0.835	20	30		DCEDRM
C#CCN(CC#CC)CC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC001588464747	983494143	/nfs/dbraw/zinc/49/41/43/983494143.db2.gz	ICSIENDKHQWHJM-UHFFFAOYSA-N	-1	0	305.359	0.667	20	30		DCEDRM
C#CCN(C1CSC1)S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001588464751	983494185	/nfs/dbraw/zinc/49/41/85/983494185.db2.gz	ILSXKTGICLUDCK-UHFFFAOYSA-N	-1	0	302.333	0.112	20	30		DCEDRM
C#CCN1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC001588476972	983513782	/nfs/dbraw/zinc/51/37/82/983513782.db2.gz	SUULPDDUZIVITN-UHFFFAOYSA-N	-1	0	312.347	0.354	20	30		DCEDRM
C#CCO[C@H](C)C(=O)O[C@H]1C[C@@H](C(=O)[O-])N(c2cnccn2)C1	ZINC001588490616	983533300	/nfs/dbraw/zinc/53/33/00/983533300.db2.gz	RNCFHEIPWPSZRG-WOPDTQHZSA-N	-1	0	319.317	0.090	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-]	ZINC001588490826	983534422	/nfs/dbraw/zinc/53/44/22/983534422.db2.gz	ZIQDQIWOZQXYIR-YGRLFVJLSA-N	-1	0	303.314	0.768	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-]	ZINC001588490823	983534629	/nfs/dbraw/zinc/53/46/29/983534629.db2.gz	ZIQDQIWOZQXYIR-HZMBPMFUSA-N	-1	0	303.314	0.768	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588504832	983548980	/nfs/dbraw/zinc/54/89/80/983548980.db2.gz	NACSIRPUEVWQKN-GHMZBOCLSA-N	-1	0	316.313	0.474	20	30		DCEDRM
C#CCn1cc(CNS(=O)(=O)c2cccnc2C(=O)[O-])cn1	ZINC001588509406	983552525	/nfs/dbraw/zinc/55/25/25/983552525.db2.gz	CIPQYQHEUBQFGF-UHFFFAOYSA-N	-1	0	320.330	0.088	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)c(Cl)c1	ZINC001588517340	983564413	/nfs/dbraw/zinc/56/44/13/983564413.db2.gz	QLPZMSUPIGZZBA-UHFFFAOYSA-N	-1	0	306.705	0.993	20	30		DCEDRM
C#Cc1ccccc1CC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588528579	983577100	/nfs/dbraw/zinc/57/71/00/983577100.db2.gz	BMWZCFVXNOJFDY-CQSZACIVSA-N	-1	0	315.325	0.829	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)COc1cccc(C(=O)NC)c1)C(=O)[O-]	ZINC001588542354	983607954	/nfs/dbraw/zinc/60/79/54/983607954.db2.gz	GKZWWPWBPCRWLX-ZDUSSCGKSA-N	-1	0	320.345	0.961	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-]	ZINC001588548619	983624444	/nfs/dbraw/zinc/62/44/44/983624444.db2.gz	RTBBVRYSVKSDMT-GFCCVEGCSA-N	-1	0	301.306	0.812	20	30		DCEDRM
CCN(C[C@@H](C)C#N)Cn1nc(C(=O)[O-])c2c(C)onc2c1=O	ZINC001596231522	983626700	/nfs/dbraw/zinc/62/67/00/983626700.db2.gz	OXUNHDHXYGOMOJ-QMMMGPOBSA-N	-1	0	319.321	0.830	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(=O)OC	ZINC001588555842	983637380	/nfs/dbraw/zinc/63/73/80/983637380.db2.gz	UMCDLHIFFCCBSO-OUAUKWLOSA-N	-1	0	319.379	0.667	20	30		DCEDRM
C=C(C)Cn1c([C@@H](C)O)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588599562	983690697	/nfs/dbraw/zinc/69/06/97/983690697.db2.gz	WYBBBRXMPMKUDO-YGRLFVJLSA-N	-1	0	310.354	0.587	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1	ZINC001588615480	983712248	/nfs/dbraw/zinc/71/22/48/983712248.db2.gz	VYDKEBYOMQBROT-LLVKDONJSA-N	-1	0	303.380	0.833	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC001588621483	983719289	/nfs/dbraw/zinc/71/92/89/983719289.db2.gz	FCACANSAZCRRCM-FGWVZKOKSA-N	-1	0	301.364	0.632	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC1CCC2(CC1)NC(=O)NC2=O	ZINC001588621514	983719779	/nfs/dbraw/zinc/71/97/79/983719779.db2.gz	FSDGOBBANJFNAU-UHFFFAOYSA-N	-1	0	309.322	0.044	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC001596299571	983724703	/nfs/dbraw/zinc/72/47/03/983724703.db2.gz	POJPQBNMAOTERX-LLVKDONJSA-N	-1	0	321.399	0.277	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccncc1C#N	ZINC001596333843	983774255	/nfs/dbraw/zinc/77/42/55/983774255.db2.gz	WOWZCODVUPIOJZ-NWDGAFQWSA-N	-1	0	302.334	0.616	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1	ZINC001588669065	983808448	/nfs/dbraw/zinc/80/84/48/983808448.db2.gz	GCELWNORNCOFKV-FXQIFTODSA-N	-1	0	301.286	0.533	20	30		DCEDRM
C=CC(C)(C)CCCn1nnnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588677069	983833162	/nfs/dbraw/zinc/83/31/62/983833162.db2.gz	NOAZKCOPDGRPQT-NSHDSACASA-N	-1	0	309.370	0.955	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1	ZINC001588681448	983839939	/nfs/dbraw/zinc/83/99/39/983839939.db2.gz	WWSGZYKJVRUULW-BMIGLBTASA-N	-1	0	322.365	0.088	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1	ZINC001588681454	983839961	/nfs/dbraw/zinc/83/99/61/983839961.db2.gz	WWSGZYKJVRUULW-MEBBXXQBSA-N	-1	0	322.365	0.088	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1	ZINC001588681563	983840835	/nfs/dbraw/zinc/84/08/35/983840835.db2.gz	YYXDIQKVKPXJIK-XHDPSFHLSA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H](C)CCNc1ncc(C(=O)[O-])cn1	ZINC001588683726	983850755	/nfs/dbraw/zinc/85/07/55/983850755.db2.gz	CSLUFOHGWKWKCA-MEBBXXQBSA-N	-1	0	322.365	0.809	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC	ZINC001588692775	983886552	/nfs/dbraw/zinc/88/65/52/983886552.db2.gz	JRAQADZNDAHXCT-SECBINFHSA-N	-1	0	322.317	0.649	20	30		DCEDRM
C=CCC(CC=C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O	ZINC001588737449	984029180	/nfs/dbraw/zinc/02/91/80/984029180.db2.gz	KPYJAPCKYUUBKK-SMDDNHRTSA-N	-1	0	315.391	0.759	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001588743948	984040267	/nfs/dbraw/zinc/04/02/67/984040267.db2.gz	FUFFHEIPGWVNKJ-QMMMGPOBSA-N	-1	0	310.281	0.516	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1sc(C)cc1C(=O)[O-]	ZINC001588744457	984042431	/nfs/dbraw/zinc/04/24/31/984042431.db2.gz	LRMBZHXFIAHKMN-QMMMGPOBSA-N	-1	0	312.347	0.746	20	30		DCEDRM
C=CCC1(C(=O)NCCNc2ccnc(C(=O)[O-])n2)CCC1	ZINC001588764479	984122135	/nfs/dbraw/zinc/12/21/35/984122135.db2.gz	BFNNPRIKGBFGMY-UHFFFAOYSA-N	-1	0	304.350	0.871	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1ccc(C(=O)NC)nc1)C(=O)[O-]	ZINC001588792530	984210115	/nfs/dbraw/zinc/21/01/15/984210115.db2.gz	JRNGIBRVZWMQEF-LBPRGKRZSA-N	-1	0	305.334	0.981	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1)C(=O)[O-]	ZINC001588798788	984238984	/nfs/dbraw/zinc/23/89/84/984238984.db2.gz	RBWBJLHQQOGDKV-AXFHLTTASA-N	-1	0	319.379	0.667	20	30		DCEDRM
CCNS(=O)(=O)[C@H]1CCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001596496091	984242220	/nfs/dbraw/zinc/24/22/20/984242220.db2.gz	VNGVKQDZAVDVNO-VIFPVBQESA-N	-1	0	324.362	0.169	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1	ZINC001588808824	984263489	/nfs/dbraw/zinc/26/34/89/984263489.db2.gz	NSZSNCQPCUWURZ-NSHDSACASA-N	-1	0	313.350	0.834	20	30		DCEDRM
C=CCCS(=O)(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001588813092	984269253	/nfs/dbraw/zinc/26/92/53/984269253.db2.gz	IIRTYPKPGXJDPF-NXEZZACHSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=CCCc1ccccc1NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1	ZINC001588814835	984273576	/nfs/dbraw/zinc/27/35/76/984273576.db2.gz	TXYULMRUXZJSCI-UHFFFAOYSA-N	-1	0	318.329	0.402	20	30		DCEDRM
C=CCN(C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)[C@@H](C)COC	ZINC001588819689	984278526	/nfs/dbraw/zinc/27/85/26/984278526.db2.gz	AGCDLRSWMHCMOP-VIFPVBQESA-N	-1	0	324.337	0.106	20	30		DCEDRM
C=CCCn1cc(CN2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])nn1	ZINC001588820130	984282326	/nfs/dbraw/zinc/28/23/26/984282326.db2.gz	RNICNFNUISOAMD-AAEUAGOBSA-N	-1	0	322.365	0.692	20	30		DCEDRM
C=CCN(CC(=O)OCC)S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001588824090	984296512	/nfs/dbraw/zinc/29/65/12/984296512.db2.gz	RLHBMMKBFWZEDD-UHFFFAOYSA-N	-1	0	305.352	0.232	20	30		DCEDRM
C=CCNC(=O)NC(=O)CNC(C)(C)c1cc(C(=O)[O-])on1	ZINC001588844392	984357287	/nfs/dbraw/zinc/35/72/87/984357287.db2.gz	WWDUDCDMRSRHLP-UHFFFAOYSA-N	-1	0	310.310	0.209	20	30		DCEDRM
C=CCOCC(=O)N[C@]1(C)CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001588851017	984382326	/nfs/dbraw/zinc/38/23/26/984382326.db2.gz	PQEPPFHKHIYMFB-OAHLLOKOSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC001588855942	984395635	/nfs/dbraw/zinc/39/56/35/984395635.db2.gz	RVILOULSCVRFPV-RYUDHWBXSA-N	-1	0	324.289	0.400	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21)C(=O)[O-]	ZINC001588855936	984395977	/nfs/dbraw/zinc/39/59/77/984395977.db2.gz	RSJTULJOCUEAOW-LOWDOPEQSA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC001588855943	984395998	/nfs/dbraw/zinc/39/59/98/984395998.db2.gz	RVILOULSCVRFPV-VXGBXAGGSA-N	-1	0	324.289	0.400	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C#N)c(OC)c1)C(=O)[O-]	ZINC001588859136	984403495	/nfs/dbraw/zinc/40/34/95/984403495.db2.gz	AJAGNDGBRGISMT-LBPRGKRZSA-N	-1	0	304.302	0.952	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnn2cc(C)cnc12)C(=O)[O-]	ZINC001588860006	984410087	/nfs/dbraw/zinc/41/00/87/984410087.db2.gz	FMOXZSWXDNDRSM-NSHDSACASA-N	-1	0	304.306	0.423	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc2oc(=O)[nH]c21)C(=O)[O-]	ZINC001588861579	984415482	/nfs/dbraw/zinc/41/54/82/984415482.db2.gz	IEIGLNURCDBBLO-VIFPVBQESA-N	-1	0	306.274	0.919	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-]	ZINC001588866040	984422426	/nfs/dbraw/zinc/42/24/26/984422426.db2.gz	HXUUEXDSOCECJH-LLVKDONJSA-N	-1	0	321.301	0.899	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)CCc1ccccc1)C(=O)[O-]	ZINC001588866790	984427726	/nfs/dbraw/zinc/42/77/26/984427726.db2.gz	QCXXJTJEJQAAMR-ZDUSSCGKSA-N	-1	0	313.375	0.804	20	30		DCEDRM
C=CCOCc1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1CC(C)C	ZINC001588868514	984433154	/nfs/dbraw/zinc/43/31/54/984433154.db2.gz	IUDHMBVJWSHVID-GFCCVEGCSA-N	-1	0	324.381	0.927	20	30		DCEDRM
C=CCn1c(-c2cnns2)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588890016	984483140	/nfs/dbraw/zinc/48/31/40/984483140.db2.gz	KXTBHHPAZGQECY-GFCCVEGCSA-N	-1	0	324.341	0.986	20	30		DCEDRM
CC#CCCCC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588924848	984583628	/nfs/dbraw/zinc/58/36/28/984583628.db2.gz	GDEFRLQETYIMPY-CHWSQXEVSA-N	-1	0	306.362	0.570	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001588926081	984590914	/nfs/dbraw/zinc/59/09/14/984590914.db2.gz	IBPCGKHHVCDVLO-NSHDSACASA-N	-1	0	320.345	0.657	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)Nc1cc(F)cc(C#N)c1)C(=O)[O-]	ZINC001599898884	984788460	/nfs/dbraw/zinc/78/84/60/984788460.db2.gz	BJYRQIBCFPSCHR-YUMQZZPRSA-N	-1	0	322.296	0.797	20	30		DCEDRM
C[C@H]1CN(C(=O)c2cc(C#N)ccn2)CCN1CCC(=O)[O-]	ZINC001594489564	985594339	/nfs/dbraw/zinc/59/43/39/985594339.db2.gz	QUMXWLPTBPEJSM-NSHDSACASA-N	-1	0	302.334	0.574	20	30		DCEDRM
Cc1c(C#N)c(=O)n(Cc2occc2C(=O)[O-])c(=O)n1C1CC1	ZINC001599973777	986054203	/nfs/dbraw/zinc/05/42/03/986054203.db2.gz	ANCZSAYKWHCFOQ-UHFFFAOYSA-N	-1	0	315.285	0.865	20	30		DCEDRM
C[C@@](C#N)(NC(=O)CN1CC(F)(F)C[C@@H]1C(=O)[O-])C1CC1	ZINC001589323755	986150209	/nfs/dbraw/zinc/15/02/09/986150209.db2.gz	LPRFOZCACKGEOA-SKDRFNHKSA-N	-1	0	301.293	0.589	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC001589328600	986157824	/nfs/dbraw/zinc/15/78/24/986157824.db2.gz	DIYIPJSYZBNYHO-LLVKDONJSA-N	-1	0	317.345	0.961	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCCC1(CNc2ccnc(C(=O)[O-])n2)CC1	ZINC001589328684	986159151	/nfs/dbraw/zinc/15/91/51/986159151.db2.gz	GOQHTLLIWHSHCA-JTQLQIEISA-N	-1	0	317.349	0.455	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001589329085	986160979	/nfs/dbraw/zinc/16/09/79/986160979.db2.gz	ILPKKZZTSSBDDO-VHSXEESVSA-N	-1	0	303.322	0.419	20	30		DCEDRM
C[C@H](C#N)N(C1CC1)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC001589331582	986188638	/nfs/dbraw/zinc/18/86/38/986188638.db2.gz	ISFXEUSFQCCNES-ZCFIWIBFSA-N	-1	0	301.349	0.906	20	30		DCEDRM
C[C@@H](C(=O)N[C@@H](C(=O)[O-])C1CCCCC1)n1cnc(C#N)n1	ZINC001589374089	986426126	/nfs/dbraw/zinc/42/61/26/986426126.db2.gz	JAOATZKBDWAZLO-JOYOIKCWSA-N	-1	0	305.338	0.860	20	30		DCEDRM
C[C@H](C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001589422616	986667068	/nfs/dbraw/zinc/66/70/68/986667068.db2.gz	LTGGWJWAMKSEIX-MXWKQRLJSA-N	-1	0	305.338	0.860	20	30		DCEDRM
CC(C)(C#N)c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1CC1CC1	ZINC001589560387	987312733	/nfs/dbraw/zinc/31/27/33/987312733.db2.gz	BAXJYMVDCKDTRH-NSHDSACASA-N	-1	0	319.365	0.779	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001589685377	987726282	/nfs/dbraw/zinc/72/62/82/987726282.db2.gz	ZAKSKMXPGNFBDU-USZNOCQGSA-N	-1	0	306.362	0.520	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001589866381	988469847	/nfs/dbraw/zinc/46/98/47/988469847.db2.gz	DTLGLGBVTTVLES-SDBXPKJASA-N	-1	0	302.302	0.787	20	30		DCEDRM
CCn1ncn(N=Cc2ccccc2O[C@@H](C)C(=O)[O-])c1=O	ZINC001597968450	990013116	/nfs/dbraw/zinc/01/31/16/990013116.db2.gz	VJZKSCHKTNUHRZ-JTQLQIEISA-N	-1	0	304.306	0.799	20	30		DCEDRM
CC(C)C#CC(=O)NC1CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001590927940	990937626	/nfs/dbraw/zinc/93/76/26/990937626.db2.gz	OSOLDCSQXBTMES-UHFFFAOYSA-N	-1	0	316.361	0.919	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(C(=O)[O-])[nH]1	ZINC001590961142	991055739	/nfs/dbraw/zinc/05/57/39/991055739.db2.gz	LWXWXDCQRDBWLH-CQSZACIVSA-N	-1	0	307.306	0.924	20	30		DCEDRM
COc1ncc(NC(=O)Cn2ccc(C(=O)[O-])n2)cc1C#N	ZINC001599734964	991761363	/nfs/dbraw/zinc/76/13/63/991761363.db2.gz	YJEWYVFUJWGSKH-UHFFFAOYSA-N	-1	0	301.262	0.495	20	30		DCEDRM
CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccnc(C#N)n1	ZINC001598478936	992118416	/nfs/dbraw/zinc/11/84/16/992118416.db2.gz	DJFAURFDZZBXCS-ZJUUUORDSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cncc(C#N)n1	ZINC001598479680	992128530	/nfs/dbraw/zinc/12/85/30/992128530.db2.gz	KTDVSIQJIXOBKY-MNOVXSKESA-N	-1	0	303.322	0.011	20	30		DCEDRM
CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C#Cc1ccccc1)C(=O)[O-]	ZINC001599762204	992137280	/nfs/dbraw/zinc/13/72/80/992137280.db2.gz	GUDCGWXMBQQREE-SWLSCSKDSA-N	-1	0	321.354	0.042	20	30		DCEDRM
CNC(=O)NCCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001598654055	994491628	/nfs/dbraw/zinc/49/16/28/994491628.db2.gz	ZWKLNIPBTGLVOX-LBPRGKRZSA-N	-1	0	305.290	0.546	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001502489205	1015944145	/nfs/dbraw/zinc/94/41/45/1015944145.db2.gz	LGJPHXHUUNLXHN-XLKFXECMSA-N	-1	0	323.353	0.120	20	30		DCEDRM
COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cccc(C(=O)[O-])c1C#N	ZINC001598740839	995561568	/nfs/dbraw/zinc/56/15/68/995561568.db2.gz	GOHYPZDBGCOJFP-UONOGXRCSA-N	-1	0	318.329	0.755	20	30		DCEDRM
C[C@H](OC(=O)c1ccnc(C#N)c1)c1cn(CC(=O)[O-])nn1	ZINC001593591362	995712538	/nfs/dbraw/zinc/71/25/38/995712538.db2.gz	FOQAWDVYGHAOIM-QMMMGPOBSA-N	-1	0	301.262	0.547	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](NC(=O)[C@@H](C)C#N)C2CC2)c1[O-]	ZINC001396985782	995725554	/nfs/dbraw/zinc/72/55/54/995725554.db2.gz	XZJWNGGQHQSDQI-OIBJUYFYSA-N	-1	0	305.338	0.208	20	30		DCEDRM
C[C@H](OC(=O)c1ccncc1C(=O)[O-])C(=O)N(C)CCC#N	ZINC001593597229	995737411	/nfs/dbraw/zinc/73/74/11/995737411.db2.gz	HJANCHVUGPHSPU-VIFPVBQESA-N	-1	0	305.290	0.697	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1(C(=O)[O-])CC(CO)C1	ZINC001593611731	995809641	/nfs/dbraw/zinc/80/96/41/995809641.db2.gz	DZDAVGXMKOCZKH-WCVRRQIGSA-N	-1	0	318.329	0.667	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	ZINC001593612306	995814646	/nfs/dbraw/zinc/81/46/46/995814646.db2.gz	OSGBCORTXLIIND-OSQNNJELSA-N	-1	0	304.302	0.420	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)C[C@H]1C(=O)[O-]	ZINC001598816993	996281213	/nfs/dbraw/zinc/28/12/13/996281213.db2.gz	LVRTYBDYHJPWAE-GHMZBOCLSA-N	-1	0	318.285	0.210	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2cc(C#N)ccc2F)C[C@H]1C(=O)[O-]	ZINC001598819339	996307118	/nfs/dbraw/zinc/30/71/18/996307118.db2.gz	UFPNOSNHRPXREF-GHMZBOCLSA-N	-1	0	320.276	0.643	20	30		DCEDRM
COC(=O)[C@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC001598825916	996381610	/nfs/dbraw/zinc/38/16/10/996381610.db2.gz	GFUGKYWNSRDUIN-ZJUUUORDSA-N	-1	0	319.273	0.776	20	30		DCEDRM
COC(=O)[C@H]1CN(c2cc(C#N)cc(Cl)n2)C[C@H]1C(=O)[O-]	ZINC001598827282	996396437	/nfs/dbraw/zinc/39/64/37/996396437.db2.gz	LXZQVCMXGAGCHR-BDAKNGLRSA-N	-1	0	309.709	0.917	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cccc(O)c2F)c(=O)[n-]c1=O	ZINC001466119265	1016052011	/nfs/dbraw/zinc/05/20/11/1016052011.db2.gz	XRRRWZZLMGBLFQ-UHFFFAOYSA-N	-1	0	304.237	0.304	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(C#N)CCC2)C1	ZINC001599077733	996915892	/nfs/dbraw/zinc/91/58/92/996915892.db2.gz	AICYELBAELHUNL-GFCCVEGCSA-N	-1	0	302.352	0.186	20	30		DCEDRM
COC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H](C)O1	ZINC001598898626	997129732	/nfs/dbraw/zinc/12/97/32/997129732.db2.gz	UVKYRPCTIWJNLT-SWHYSGLUSA-N	-1	0	318.329	0.946	20	30		DCEDRM
COC1(CS(=O)(=O)N(CC#N)CCC(=O)[O-])CCCC1	ZINC001599092214	997213085	/nfs/dbraw/zinc/21/30/85/997213085.db2.gz	HAAWHLJLZFBXHS-UHFFFAOYSA-N	-1	0	304.368	0.576	20	30		DCEDRM
COC(=O)[C@@H]1OCC[C@@H]1CNc1ccc(C(=O)[O-])nc1C#N	ZINC001598903339	997215205	/nfs/dbraw/zinc/21/52/05/997215205.db2.gz	XNSKWGRLVABSQG-PRHODGIISA-N	-1	0	305.290	0.641	20	30		DCEDRM
COCC[C@](C)(C#N)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001599209428	997471615	/nfs/dbraw/zinc/47/16/15/997471615.db2.gz	UUSMAIFVPGAOOV-GFCCVEGCSA-N	-1	0	313.335	0.377	20	30		DCEDRM
COc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)ccc1O	ZINC001467534969	1016180457	/nfs/dbraw/zinc/18/04/57/1016180457.db2.gz	GCCUXQNTZUUQQL-UHFFFAOYSA-N	-1	0	316.273	0.173	20	30		DCEDRM
CO[C@]1(C)CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001467742758	1016193305	/nfs/dbraw/zinc/19/33/05/1016193305.db2.gz	NIWCATBUUXCUEY-OAHLLOKOSA-N	-1	0	320.349	0.238	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)c1cccc(C#CCO)c1	ZINC001599150203	998283833	/nfs/dbraw/zinc/28/38/33/998283833.db2.gz	XOUZFAOVNNWNOY-INIZCTEOSA-N	-1	0	305.330	0.640	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1NC(=O)Cn1cnc(C#N)n1	ZINC001599370372	998400624	/nfs/dbraw/zinc/40/06/24/998400624.db2.gz	IFNBQUZKTKZZDF-UHFFFAOYSA-N	-1	0	301.262	0.495	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)cn1	ZINC001594141322	998444002	/nfs/dbraw/zinc/44/40/02/998444002.db2.gz	JKKILDFFQAMIFD-PSASIEDQSA-N	-1	0	302.290	0.213	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(C)(C)[C@]1(O)CCOC1	ZINC001469351210	1016331737	/nfs/dbraw/zinc/33/17/37/1016331737.db2.gz	MXPGJZDFVZHMAG-INIZCTEOSA-N	-1	0	319.361	0.875	20	30		DCEDRM
CC1(C)CC[C@H](CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)OC1	ZINC001419093352	1000763733	/nfs/dbraw/zinc/76/37/33/1000763733.db2.gz	QXRLHCTUFKSCGY-LLVKDONJSA-N	-1	0	320.349	0.142	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCc3nc(C4CC4)ncc3C2)c(C#N)c1=O	ZINC001472854507	1016863927	/nfs/dbraw/zinc/86/39/27/1016863927.db2.gz	DEZSRVPWLOONBV-UHFFFAOYSA-N	-1	0	324.344	0.175	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@H]2C[C@@H]2c2ccccc2)c(=O)[n-]c1=O	ZINC001417731948	1005877952	/nfs/dbraw/zinc/87/79/52/1005877952.db2.gz	FFSZUVABEGNYEM-KGLIPLIRSA-N	-1	0	324.340	0.883	20	30		DCEDRM
CCN(Cc1occc1C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001418089469	1006023823	/nfs/dbraw/zinc/02/38/23/1006023823.db2.gz	PZPMBEWINZWMEJ-UHFFFAOYSA-N	-1	0	316.317	0.771	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Cc2ccsc2)c(=O)[n-]c1=O	ZINC001453839662	1008753604	/nfs/dbraw/zinc/75/36/04/1008753604.db2.gz	BFVINDIBBZMIDF-UHFFFAOYSA-N	-1	0	304.331	0.241	20	30		DCEDRM
CC(C)C[C@@H]1C[C@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001453847119	1008757882	/nfs/dbraw/zinc/75/78/82/1008757882.db2.gz	YEIYJYJDEWDOHH-ZYHUDNBSSA-N	-1	0	304.350	0.619	20	30		DCEDRM
N#Cc1cccc(C(=O)NCc2nnn[n-]2)c1Br	ZINC001433658529	1009035514	/nfs/dbraw/zinc/03/55/14/1009035514.db2.gz	LLOFVZOFEJNMIP-UHFFFAOYSA-N	-1	0	307.111	0.764	20	30		DCEDRM
N#CCc1ccsc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC001433664227	1009042954	/nfs/dbraw/zinc/04/29/54/1009042954.db2.gz	LHFPJOPIDZMLNM-VIFPVBQESA-N	-1	0	304.335	0.541	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H](CC(N)=O)C1	ZINC001433770582	1009163834	/nfs/dbraw/zinc/16/38/34/1009163834.db2.gz	BHUCQAMTCGXYHT-JTQLQIEISA-N	-1	0	302.334	0.695	20	30		DCEDRM
N#Cc1cc(F)cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001454720533	1009285024	/nfs/dbraw/zinc/28/50/24/1009285024.db2.gz	YDDUZKHGRAKWMZ-UHFFFAOYSA-N	-1	0	313.248	0.470	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](C)C[C@@H]1C(N)=O	ZINC001433927520	1009361681	/nfs/dbraw/zinc/36/16/81/1009361681.db2.gz	RINXBAPVIDQVGA-LDYMZIIASA-N	-1	0	302.334	0.693	20	30		DCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccsc1	ZINC001433939536	1009377373	/nfs/dbraw/zinc/37/73/73/1009377373.db2.gz	NPSYRGOZGLHXCZ-QMMMGPOBSA-N	-1	0	304.331	0.759	20	30		DCEDRM
CCOC1CC(N(C)C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001434045026	1009486345	/nfs/dbraw/zinc/48/63/45/1009486345.db2.gz	YEPZRIUWMKIGKV-UHFFFAOYSA-N	-1	0	320.349	0.237	20	30		DCEDRM
CC(C)c1cc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n[nH]1	ZINC001434117850	1009583607	/nfs/dbraw/zinc/58/36/07/1009583607.db2.gz	SEZGCZDIZIQSAY-UHFFFAOYSA-N	-1	0	316.321	0.696	20	30		DCEDRM
CC[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H](C)CO1	ZINC001434153434	1009616201	/nfs/dbraw/zinc/61/62/01/1009616201.db2.gz	XUVTZHKTBLVKLW-PWSUYJOCSA-N	-1	0	320.349	0.237	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCNC(=O)CC12CCC2	ZINC001455507316	1009778860	/nfs/dbraw/zinc/77/88/60/1009778860.db2.gz	XRDBCNKIGFVHJI-UHFFFAOYSA-N	-1	0	314.345	0.852	20	30		DCEDRM
COC(=O)C1(CNc2[n-]c(=O)n(C)c(=O)c2C#N)CCCCC1	ZINC001434445841	1009964302	/nfs/dbraw/zinc/96/43/02/1009964302.db2.gz	LVQHTEMNZOYTPB-UHFFFAOYSA-N	-1	0	320.349	0.481	20	30		DCEDRM
Cc1cc(F)c(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)cc1F	ZINC001434453627	1009969577	/nfs/dbraw/zinc/96/95/77/1009969577.db2.gz	ODNIWSPSPHGLEL-UHFFFAOYSA-N	-1	0	305.240	0.878	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCNC(=O)[C@@H]1C(C)C	ZINC001443264678	1010275386	/nfs/dbraw/zinc/27/53/86/1010275386.db2.gz	XYDPVNFGJRAHBW-LBPRGKRZSA-N	-1	0	302.334	0.564	20	30		DCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC001515098476	1017097380	/nfs/dbraw/zinc/09/73/80/1017097380.db2.gz	BELBQIBNYYQTOB-LLVKDONJSA-N	-1	0	314.345	0.822	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](CCO)c2cccs2)c(C#N)c1=O	ZINC001458191280	1012102362	/nfs/dbraw/zinc/10/23/62/1012102362.db2.gz	TVSCZHGIOBDAMV-VIFPVBQESA-N	-1	0	306.347	0.542	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)C#Cc1ccc(C(F)(F)F)cc1	ZINC001539091515	1012431522	/nfs/dbraw/zinc/43/15/22/1012431522.db2.gz	PFIUYLXMNZOWJV-UHFFFAOYSA-N	-1	0	300.236	0.851	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(NC(=O)[C@H](C)C#N)CCCC2)c1[O-]	ZINC001432845912	1012952418	/nfs/dbraw/zinc/95/24/18/1012952418.db2.gz	HQYAENDPPFDDOZ-SECBINFHSA-N	-1	0	319.365	0.742	20	30		DCEDRM
C[C@@H]1CCCC[C@@H]1OCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001515362569	1017118648	/nfs/dbraw/zinc/11/86/48/1017118648.db2.gz	QAAPVGVDZJZNEA-PWSUYJOCSA-N	-1	0	306.366	0.952	20	30		DCEDRM
Cc1nc(SCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n[nH]1	ZINC001607938733	1170529174	/nfs/dbraw/zinc/52/91/74/1170529174.db2.gz	WAHWGRHEEFQSEK-UHFFFAOYSA-N	-1	0	309.351	0.422	20	30		DCEDRM
N#CC1(OCCOC(=O)c2cc(C(=O)[O-])no2)CCOCC1	ZINC001608176950	1170610937	/nfs/dbraw/zinc/61/09/37/1170610937.db2.gz	GRBZSZSVYHDXDF-UHFFFAOYSA-N	-1	0	310.262	0.619	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N(CCC#N)CCC#N)cc1C(=O)[O-]	ZINC001610563532	1171253533	/nfs/dbraw/zinc/25/35/33/1171253533.db2.gz	YLGNLILZQPOGJN-UHFFFAOYSA-N	-1	0	322.346	0.906	20	30		DCEDRM
CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](COC)c1nnn[n-]1	ZINC001634621966	1171680405	/nfs/dbraw/zinc/68/04/05/1171680405.db2.gz	LIQZMVZODWNKOP-GHMZBOCLSA-N	-1	0	312.374	0.975	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O	ZINC001640825423	1171894594	/nfs/dbraw/zinc/89/45/94/1171894594.db2.gz	SZICCCYANGWGBU-WCBMZHEXSA-N	-1	0	320.392	0.010	20	30		DCEDRM
C=C(C)C[C@H]([N-]S(=O)(=O)Cc1noc(C)n1)C(=O)OCC	ZINC001671199904	1171925621	/nfs/dbraw/zinc/92/56/21/1171925621.db2.gz	XIQFLNASIUCAIM-JTQLQIEISA-N	-1	0	317.367	0.695	20	30		DCEDRM
COCC[C@H](CO)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000281472820	216325319	/nfs/dbraw/zinc/32/53/19/216325319.db2.gz	UVVHJTLLBPRDDN-SECBINFHSA-N	-1	0	320.317	0.512	20	30		DCEDRM
Cc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)ccc1C#N	ZINC000566657171	291316918	/nfs/dbraw/zinc/31/69/18/291316918.db2.gz	ZROKAZNTEQGJCZ-WCQYABFASA-N	-1	0	324.358	0.635	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])c1C#N	ZINC000422693306	240178843	/nfs/dbraw/zinc/17/88/43/240178843.db2.gz	VQCUJEPRWLDBFQ-SNVBAGLBSA-N	-1	0	303.318	0.984	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000422694831	240179518	/nfs/dbraw/zinc/17/95/18/240179518.db2.gz	YERKXRAVIPYAPO-VIFPVBQESA-N	-1	0	303.318	0.984	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCCCNC2=O)cc1C#N	ZINC000339890130	253159861	/nfs/dbraw/zinc/15/98/61/253159861.db2.gz	LANWESJUIDEPQG-SNVBAGLBSA-N	-1	0	320.374	0.779	20	30		DCEDRM
COCCO[C@@H]1CCN(C([O-])=Nc2c(C)ccn(C)c2=O)C1	ZINC000331291343	533169884	/nfs/dbraw/zinc/16/98/84/533169884.db2.gz	KQHAMZUURWTPFB-GFCCVEGCSA-N	-1	0	309.366	0.977	20	30		DCEDRM
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[N-]OCC1CC1	ZINC000293739184	131764304	/nfs/dbraw/zinc/76/43/04/131764304.db2.gz	IRJZNUNBWXKHOS-JTQLQIEISA-N	-1	0	323.374	0.683	20	30		DCEDRM
C[C@H](NC(=O)c1cccs1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000026268427	395694326	/nfs/dbraw/zinc/69/43/26/395694326.db2.gz	PRBUCHMHEPBDEW-ZETCQYMHSA-N	-1	0	314.330	0.972	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)[n-]c1C#N	ZINC000273492559	395924498	/nfs/dbraw/zinc/92/44/98/395924498.db2.gz	WZUSYSCLPYZMMZ-JTQLQIEISA-N	-1	0	324.300	0.968	20	30		DCEDRM
CC(C)C[C@@H](CNS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000232601505	395886838	/nfs/dbraw/zinc/88/68/38/395886838.db2.gz	BOPFJZPLOYZUNP-JTQLQIEISA-N	-1	0	311.363	0.978	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000070430380	396101549	/nfs/dbraw/zinc/10/15/49/396101549.db2.gz	QQJLWTDMLCKWFF-NSHDSACASA-N	-1	0	310.331	0.341	20	30		DCEDRM
N#Cc1cccc(N2CCN(c3cnc(C(=O)[O-])cn3)CC2)n1	ZINC000263390062	396215559	/nfs/dbraw/zinc/21/55/59/396215559.db2.gz	GAEJMCCEOGANDC-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
CC(C)(C)OC[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287694629	396417134	/nfs/dbraw/zinc/41/71/34/396417134.db2.gz	XFINPUBDHWNAAN-VIFPVBQESA-N	-1	0	316.335	0.698	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)[N-]OCCCOC	ZINC000287955993	396433512	/nfs/dbraw/zinc/43/35/12/396433512.db2.gz	GZDRSDBMWIPPNM-UHFFFAOYSA-N	-1	0	321.333	0.980	20	30		DCEDRM
CSCCN(CC(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000594681524	396496659	/nfs/dbraw/zinc/49/66/59/396496659.db2.gz	QGGYCTSKPFUNKN-SECBINFHSA-N	-1	0	309.413	0.072	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](C)[C@@H]1C(=O)[O-]	ZINC000580958592	396514709	/nfs/dbraw/zinc/51/47/09/396514709.db2.gz	ZHVQVFOKJOWQDC-OUAUKWLOSA-N	-1	0	303.384	0.508	20	30		DCEDRM
N#Cc1ccc2c(c1)CN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)C2	ZINC000594540229	396485639	/nfs/dbraw/zinc/48/56/39/396485639.db2.gz	SKQYIZJHHRDWKZ-GFCCVEGCSA-N	-1	0	313.313	0.334	20	30		DCEDRM
N#CC1(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1	ZINC000581347039	396546973	/nfs/dbraw/zinc/54/69/73/396546973.db2.gz	SVJKYTDUPSRNQV-UHFFFAOYSA-N	-1	0	321.318	0.018	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CCCCC1	ZINC000595276372	396577494	/nfs/dbraw/zinc/57/74/94/396577494.db2.gz	OFAIWBMTCADOQV-LBPRGKRZSA-N	-1	0	321.377	0.900	20	30		DCEDRM
N#Cc1ccc(CCN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1	ZINC000595879334	396675133	/nfs/dbraw/zinc/67/51/33/396675133.db2.gz	RIEFKXOBJLVGCV-CYBMUJFWSA-N	-1	0	308.359	0.284	20	30		DCEDRM
N#Cc1cc2c(nc1N[C@@H]1C[C@@H](C(=O)[O-])C[C@H]1O)CCOC2	ZINC000595977259	396702200	/nfs/dbraw/zinc/70/22/00/396702200.db2.gz	FRWRKILJVVGTQB-BZHVJNSISA-N	-1	0	303.318	0.662	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000596024659	396709196	/nfs/dbraw/zinc/70/91/96/396709196.db2.gz	QRFQCICSECEPOW-LLVKDONJSA-N	-1	0	303.384	0.557	20	30		DCEDRM
CCOC[C@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000589546403	396717567	/nfs/dbraw/zinc/71/75/67/396717567.db2.gz	RUZMXAPGBOCHDE-LBPRGKRZSA-N	-1	0	312.347	0.521	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)COc2ccc(C#N)cc2)C1	ZINC000600870869	396959354	/nfs/dbraw/zinc/95/93/54/396959354.db2.gz	XQYCKIIGXLZCIH-OAHLLOKOSA-N	-1	0	304.302	0.639	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCc3c(=O)[nH]cnc3C2)s1	ZINC000619548360	397148507	/nfs/dbraw/zinc/14/85/07/397148507.db2.gz	YLVPDXGJDYAYTG-UHFFFAOYSA-N	-1	0	322.371	0.862	20	30		DCEDRM
N#Cc1ccc(CCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1	ZINC000377603086	397111201	/nfs/dbraw/zinc/11/12/01/397111201.db2.gz	BQRFWFBWNOYDCB-CYBMUJFWSA-N	-1	0	312.333	0.604	20	30		DCEDRM
Cn1nccc1[C@H](NS(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC000592458952	397183419	/nfs/dbraw/zinc/18/34/19/397183419.db2.gz	WWGKSYWDZONMIJ-JTQLQIEISA-N	-1	0	312.351	0.159	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)[n-]c1C#N	ZINC000598663382	397269937	/nfs/dbraw/zinc/26/99/37/397269937.db2.gz	XUHFNPFMFRNIOQ-OPRDCNLKSA-N	-1	0	312.333	0.786	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1	ZINC000384646398	397280959	/nfs/dbraw/zinc/28/09/59/397280959.db2.gz	QEVVEONVCYATKW-UHFFFAOYSA-N	-1	0	310.306	0.980	20	30		DCEDRM
C[C@@H]1SCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC000602103704	397300682	/nfs/dbraw/zinc/30/06/82/397300682.db2.gz	WZFOOBFGKKDSMG-UWVGGRQHSA-N	-1	0	322.390	0.563	20	30		DCEDRM
CSCC[C@H](C)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602102319	397300810	/nfs/dbraw/zinc/30/08/10/397300810.db2.gz	GZORNKDUZPVVJL-VIFPVBQESA-N	-1	0	310.379	0.421	20	30		DCEDRM
C[C@@H]1CSCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602110928	397305132	/nfs/dbraw/zinc/30/51/32/397305132.db2.gz	MMHKWDDUJIAHHL-SECBINFHSA-N	-1	0	308.363	0.175	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@@](O)(CC#N)C1	ZINC000592836261	397260883	/nfs/dbraw/zinc/26/08/83/397260883.db2.gz	GBZNJBWMOTUOAV-AWEZNQCLSA-N	-1	0	323.374	0.549	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC1([C@@H](C)C(=O)[O-])CC1	ZINC000593273714	397347464	/nfs/dbraw/zinc/34/74/64/397347464.db2.gz	MJKHLUFEZNNDHY-ZJUUUORDSA-N	-1	0	303.384	0.556	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC[C@H](C3CC3)C2)c(=O)[n-]c1=O	ZINC000602153326	397325298	/nfs/dbraw/zinc/32/52/98/397325298.db2.gz	WOLYKXQKGISIFA-NSHDSACASA-N	-1	0	302.334	0.469	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2cncc(C#N)n2)C1=O	ZINC000579009352	397514991	/nfs/dbraw/zinc/51/49/91/397514991.db2.gz	VCKNVLXIAUGSGO-JQWIXIFHSA-N	-1	0	303.322	0.470	20	30		DCEDRM
CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1	ZINC000578898227	397500945	/nfs/dbraw/zinc/50/09/45/397500945.db2.gz	RDURJSFFPLWTRO-PWSUYJOCSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1COCCC1=NNCC(=O)[O-]	ZINC000495722571	397553386	/nfs/dbraw/zinc/55/33/86/397553386.db2.gz	VOEVPZYVSYRFFH-ZJUUUORDSA-N	-1	0	315.370	0.966	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C\c1ccco1	ZINC000493284445	397526874	/nfs/dbraw/zinc/52/68/74/397526874.db2.gz	ISUYAOXHLUCDEG-SREVYHEPSA-N	-1	0	324.358	0.268	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000599939074	397545718	/nfs/dbraw/zinc/54/57/18/397545718.db2.gz	GODIBDXFXBZBLN-WDEREUQCSA-N	-1	0	314.407	0.591	20	30		DCEDRM
Cc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cc1F	ZINC000603919137	397628170	/nfs/dbraw/zinc/62/81/70/397628170.db2.gz	WBGWCILWMCDUJM-UHFFFAOYSA-N	-1	0	316.292	0.698	20	30		DCEDRM
N#Cc1cccc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c1	ZINC000052504961	158016148	/nfs/dbraw/zinc/01/61/48/158016148.db2.gz	CDBCWNFDEDRXCH-UHFFFAOYSA-N	-1	0	321.296	0.825	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1C(N)=O	ZINC000185620278	158522468	/nfs/dbraw/zinc/52/24/68/158522468.db2.gz	MAOYXLFUCMPAAV-UHFFFAOYSA-N	-1	0	319.346	0.798	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C	ZINC000263137151	298277678	/nfs/dbraw/zinc/27/76/78/298277678.db2.gz	NUXZIYJHAHJWOU-GMTAPVOTSA-N	-1	0	303.384	0.650	20	30		DCEDRM
Cn1nccc1/C=C\C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000255277346	287123975	/nfs/dbraw/zinc/12/39/75/287123975.db2.gz	SHKXVMZDKDKWTQ-WAYWQWQTSA-N	-1	0	316.342	0.810	20	30		DCEDRM
CC(=O)Nc1ncc(S(=O)(=O)[N-]c2n[nH]cc2C#N)s1	ZINC000342463118	415181909	/nfs/dbraw/zinc/18/19/09/415181909.db2.gz	CWXHEEOWOKPSTO-UHFFFAOYSA-N	-1	0	312.336	0.497	20	30		DCEDRM
N#Cc1ncn(CC[N-]S(=O)(=O)c2c(F)cccc2F)n1	ZINC000352636982	415257703	/nfs/dbraw/zinc/25/77/03/415257703.db2.gz	MWSQOJDOGAGKRY-UHFFFAOYSA-N	-1	0	313.289	0.406	20	30		DCEDRM
C=C[C@@H](CO)NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000292594918	415848026	/nfs/dbraw/zinc/84/80/26/415848026.db2.gz	HMPRCVFWFHAMIP-VIFPVBQESA-N	-1	0	302.327	0.474	20	30		DCEDRM
N#Cc1cccc(-n2ccc(C(=O)NC3(c4nnn[n-]4)CC3)n2)c1	ZINC000337015259	415889175	/nfs/dbraw/zinc/88/91/75/415889175.db2.gz	QBUYXPGOXJOINA-UHFFFAOYSA-N	-1	0	320.316	0.676	20	30		DCEDRM
N#Cc1ncn(-c2ccccc2[N-]S(=O)(=O)c2c[nH]cn2)n1	ZINC000357331666	416063045	/nfs/dbraw/zinc/06/30/45/416063045.db2.gz	SXOBMTHKEFSCQH-UHFFFAOYSA-N	-1	0	315.318	0.663	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])o1	ZINC000344968335	416017156	/nfs/dbraw/zinc/01/71/56/416017156.db2.gz	LXUKQVGXHHRWFY-UHFFFAOYSA-N	-1	0	307.287	0.757	20	30		DCEDRM
Cn1c2ccc(S(=O)(=O)[N-]c3n[nH]cc3C#N)cc2oc1=O	ZINC000180141971	416194011	/nfs/dbraw/zinc/19/40/11/416194011.db2.gz	HFMSUYCPFDSSPT-UHFFFAOYSA-N	-1	0	319.302	0.527	20	30		DCEDRM
O=C(CSc1n[nH]c(=O)[n-]1)NCCC(=O)N1CCCCC1	ZINC000329237806	416158171	/nfs/dbraw/zinc/15/81/71/416158171.db2.gz	KOOKRTQQQLXREQ-UHFFFAOYSA-N	-1	0	313.383	0.962	20	30		DCEDRM
C[C@@H](CN(C)C(=O)COc1ccccc1C#N)c1nnn[n-]1	ZINC000183447126	416242669	/nfs/dbraw/zinc/24/26/69/416242669.db2.gz	NHGWCDIWKUFKIH-JTQLQIEISA-N	-1	0	300.322	0.712	20	30		DCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)C[C@@H](C)OC	ZINC000193315329	416315356	/nfs/dbraw/zinc/31/53/56/416315356.db2.gz	SHGCANVZVAWTDR-LLVKDONJSA-N	-1	0	310.375	0.826	20	30		DCEDRM
CN(C)c1noc(C[N-]S(=O)(=O)c2ccccc2C#N)n1	ZINC000193974179	416321305	/nfs/dbraw/zinc/32/13/05/416321305.db2.gz	YKKMUXZVRFCVLI-UHFFFAOYSA-N	-1	0	307.335	0.486	20	30		DCEDRM
COCc1ncc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c(N)n1	ZINC000359726121	416355510	/nfs/dbraw/zinc/35/55/10/416355510.db2.gz	PNZQSJPROOUBLP-UHFFFAOYSA-N	-1	0	313.321	0.352	20	30		DCEDRM
CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000228698898	416327942	/nfs/dbraw/zinc/32/79/42/416327942.db2.gz	MLLIZPUBDXSNTC-ZDUSSCGKSA-N	-1	0	309.347	0.971	20	30		DCEDRM
CC(C)C[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000228698701	416327970	/nfs/dbraw/zinc/32/79/70/416327970.db2.gz	GPLPHFVRJOEWFO-JTQLQIEISA-N	-1	0	311.363	0.978	20	30		DCEDRM
Cc1cc(N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cc(C#N)n1	ZINC000416442697	416369699	/nfs/dbraw/zinc/36/96/99/416369699.db2.gz	GABCSOXNGJTBLD-ZIAGYGMSSA-N	-1	0	316.361	0.806	20	30		DCEDRM
Cc1cc(C#N)nc(N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)n1	ZINC000416450344	416369872	/nfs/dbraw/zinc/36/98/72/416369872.db2.gz	XNVKIUQLDIADGQ-VXGBXAGGSA-N	-1	0	317.349	0.779	20	30		DCEDRM
CC[C@](COC)([N-]S(=O)(=O)CC(C)(C)CC#N)C(=O)OC	ZINC000416515884	416373438	/nfs/dbraw/zinc/37/34/38/416373438.db2.gz	BWNWFFMAHBDNGN-CYBMUJFWSA-N	-1	0	320.411	0.814	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1C(N)=O	ZINC000435716244	416534376	/nfs/dbraw/zinc/53/43/76/416534376.db2.gz	UAKCXYTVXBYLAS-UHFFFAOYSA-N	-1	0	319.346	0.798	20	30		DCEDRM
COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2)cn1	ZINC000361849595	416508361	/nfs/dbraw/zinc/50/83/61/416508361.db2.gz	NNHJCYWBFSWJPH-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C#CCNC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1	ZINC000490605608	416569367	/nfs/dbraw/zinc/56/93/67/416569367.db2.gz	RTTDSKIALTWVGU-UHFFFAOYSA-N	-1	0	324.387	0.645	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F	ZINC000490913818	416579084	/nfs/dbraw/zinc/57/90/84/416579084.db2.gz	FADPJYHTUNKKHY-UHFFFAOYSA-N	-1	0	310.306	0.980	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C	ZINC000491015259	416583236	/nfs/dbraw/zinc/58/32/36/416583236.db2.gz	XJTJLLAAFZRBLF-UHFFFAOYSA-N	-1	0	307.327	0.656	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)C1CCCCC1	ZINC000491808940	416630039	/nfs/dbraw/zinc/63/00/39/416630039.db2.gz	WFQOYGTUFCTAJF-GFCCVEGCSA-N	-1	0	306.362	0.714	20	30		DCEDRM
C[C@@H]1CCC[C@](NS(=O)(=O)N(C)CCC#N)(C(=O)[O-])C1	ZINC000548837628	416692497	/nfs/dbraw/zinc/69/24/97/416692497.db2.gz	IJAMJGNJDLGYRP-ZYHUDNBSSA-N	-1	0	303.384	0.700	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC000564731652	416894537	/nfs/dbraw/zinc/89/45/37/416894537.db2.gz	NMYMBJYUZCXLTI-MXWKQRLJSA-N	-1	0	303.384	0.508	20	30		DCEDRM
COc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)nn1	ZINC000427799367	416845502	/nfs/dbraw/zinc/84/55/02/416845502.db2.gz	OKWUCMLHJUIACF-UHFFFAOYSA-N	-1	0	305.319	0.861	20	30		DCEDRM
Cc1cc(=NC(=O)N=c2[n-]nc3ccccn32)[nH]n1CCC#N	ZINC000446142655	416915494	/nfs/dbraw/zinc/91/54/94/416915494.db2.gz	ACQSYCXZZXZSMZ-UHFFFAOYSA-N	-1	0	310.321	0.636	20	30		DCEDRM
CS(=O)(=O)c1nnc(NC(=O)c2cccc(F)c2C#N)[n-]1	ZINC000429042181	416944044	/nfs/dbraw/zinc/94/40/44/416944044.db2.gz	AMYOBXLWPBHLAG-UHFFFAOYSA-N	-1	0	309.282	0.471	20	30		DCEDRM
COC(=O)c1cccc(Cn2[n-]c(SC)nc2=O)c1C#N	ZINC000526003354	417171871	/nfs/dbraw/zinc/17/18/71/417171871.db2.gz	OVGJMBHYMLYMTD-UHFFFAOYSA-N	-1	0	304.331	1.000	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C	ZINC000569008890	417205542	/nfs/dbraw/zinc/20/55/42/417205542.db2.gz	UNZUBBCTWDQZJH-SRVKXCTJSA-N	-1	0	317.411	0.898	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)CCC1CCOCC1)C(=O)[O-]	ZINC000570799174	417390916	/nfs/dbraw/zinc/39/09/16/417390916.db2.gz	QZDLVIHYBCLOPU-LBPRGKRZSA-N	-1	0	321.395	0.378	20	30		DCEDRM
C=C(C)COCCNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000572442688	417458884	/nfs/dbraw/zinc/45/88/84/417458884.db2.gz	YLORMYCPAPRZQK-VXGBXAGGSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCN1C(=O)C(C)C)C(=O)[O-]	ZINC000455879368	417620364	/nfs/dbraw/zinc/62/03/64/417620364.db2.gz	QCMUYCLXWYKWFQ-NWDGAFQWSA-N	-1	0	312.366	0.405	20	30		DCEDRM
O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCC#Cc1ccccc1)C2	ZINC000659392578	418091068	/nfs/dbraw/zinc/09/10/68/418091068.db2.gz	NBMJWAQWXBHCGX-RHSMWYFYSA-N	-1	0	314.341	0.781	20	30		DCEDRM
C=CCN1C(=O)N=NC1S(=O)(=O)Cc1cc2n(n1)CCCC2	ZINC000650193350	418297097	/nfs/dbraw/zinc/29/70/97/418297097.db2.gz	RKFHFMMYVJZTEP-UHFFFAOYSA-N	-1	0	323.378	0.676	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)o1	ZINC000361118268	261898965	/nfs/dbraw/zinc/89/89/65/261898965.db2.gz	AQWMXIALDMXWFC-UHFFFAOYSA-N	-1	0	305.315	0.980	20	30		DCEDRM
CC(C)(C)OC(=O)N1CCN(Cc2nc(=O)[n-][nH]2)[C@@H](C#N)C1	ZINC000285613136	278399926	/nfs/dbraw/zinc/39/99/26/278399926.db2.gz	VZRZEGFEJVMPLA-VIFPVBQESA-N	-1	0	308.342	0.043	20	30		DCEDRM
COC[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000547890594	288088925	/nfs/dbraw/zinc/08/89/25/288088925.db2.gz	OKFPEZZHTBRHHP-VIFPVBQESA-N	-1	0	318.738	0.590	20	30		DCEDRM
CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)[O-]	ZINC000548199379	288120035	/nfs/dbraw/zinc/12/00/35/288120035.db2.gz	MBTGNTBDLFQWOC-MRVPVSSYSA-N	-1	0	313.291	0.608	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)N[C@H](C(=O)[O-])C2CC2)c1	ZINC000548593979	288158364	/nfs/dbraw/zinc/15/83/64/288158364.db2.gz	VVEGCWMQCUUXHX-LBPRGKRZSA-N	-1	0	312.322	0.980	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000273728263	303163436	/nfs/dbraw/zinc/16/34/36/303163436.db2.gz	NEALFGVJASSPMS-SECBINFHSA-N	-1	0	314.294	0.437	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1	ZINC000129489914	303197805	/nfs/dbraw/zinc/19/78/05/303197805.db2.gz	KDBLIUHOXNITRP-NSHDSACASA-N	-1	0	310.331	0.422	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)CCCC(=O)[O-]	ZINC000569815072	332682159	/nfs/dbraw/zinc/68/21/59/332682159.db2.gz	OFSRFABSWABMEE-MNOVXSKESA-N	-1	0	305.400	0.946	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)C1CCCC1	ZINC000491484074	333107743	/nfs/dbraw/zinc/10/77/43/333107743.db2.gz	HBAKOARCUMBKSH-INIZCTEOSA-N	-1	0	306.362	0.714	20	30		DCEDRM
CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1	ZINC000565308156	333250831	/nfs/dbraw/zinc/25/08/31/333250831.db2.gz	RQAPROYPCKSHJU-JQWIXIFHSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CCn1ccnc1/C=C\C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000492479233	333300380	/nfs/dbraw/zinc/30/03/80/333300380.db2.gz	YDOMEBRFXZHJMQ-WAYWQWQTSA-N	-1	0	310.379	0.912	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)c1	ZINC000570970843	333471786	/nfs/dbraw/zinc/47/17/86/333471786.db2.gz	SRADDXUMBQRKPW-UHFFFAOYSA-N	-1	0	300.318	0.467	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2cccc(C(=O)[O-])c2)CC1	ZINC000345307921	335315641	/nfs/dbraw/zinc/31/56/41/335315641.db2.gz	GMLMIENUBZMONO-UHFFFAOYSA-N	-1	0	317.389	0.805	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000422719663	337684116	/nfs/dbraw/zinc/68/41/16/337684116.db2.gz	MBROOXLHGCGDAG-WDEREUQCSA-N	-1	0	314.407	0.591	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000424367717	337827395	/nfs/dbraw/zinc/82/73/95/337827395.db2.gz	NMZLFWMRERGBFI-UHFFFAOYSA-N	-1	0	305.400	0.947	20	30		DCEDRM
N#CCNC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1	ZINC000436208758	338262015	/nfs/dbraw/zinc/26/20/15/338262015.db2.gz	KRAAGJQGMJDDJZ-UHFFFAOYSA-N	-1	0	308.363	0.796	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000437215098	338304001	/nfs/dbraw/zinc/30/40/01/338304001.db2.gz	JJWXDHUKRHEXLC-SSDOTTSWSA-N	-1	0	323.334	0.216	20	30		DCEDRM
C#CCN(CC#CC)S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000491497168	339864338	/nfs/dbraw/zinc/86/43/38/339864338.db2.gz	WALMCEHTTHXIGN-UHFFFAOYSA-N	-1	0	305.355	0.961	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\c2ccncn2)CCC1	ZINC000493022622	339915266	/nfs/dbraw/zinc/91/52/66/339915266.db2.gz	VZBVJLCHTUPZGI-IHWYPQMZSA-N	-1	0	306.347	0.630	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C	ZINC000496529149	340007228	/nfs/dbraw/zinc/00/72/28/340007228.db2.gz	SWGPFZOITCJYKV-VHSXEESVSA-N	-1	0	316.379	0.369	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC000564731655	341507934	/nfs/dbraw/zinc/50/79/34/341507934.db2.gz	NMYMBJYUZCXLTI-VWYCJHECSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000565060679	341516150	/nfs/dbraw/zinc/51/61/50/341516150.db2.gz	FKUTVNNQTCLVTQ-ZETCQYMHSA-N	-1	0	313.291	0.731	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CCC(O)(C(C)(C)C(=O)[O-])CC1	ZINC000567903404	341639738	/nfs/dbraw/zinc/63/97/38/341639738.db2.gz	RBFSAZIYDOPDEQ-UHFFFAOYSA-N	-1	0	305.396	0.830	20	30		DCEDRM
CC(=O)N1CC([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000577231779	341899192	/nfs/dbraw/zinc/89/91/92/341899192.db2.gz	QLXGEFNRUYVDJG-UHFFFAOYSA-N	-1	0	315.301	0.345	20	30		DCEDRM
N#CC[C@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)C(F)(F)F	ZINC001601061866	1159780373	/nfs/dbraw/zinc/78/03/73/1159780373.db2.gz	IGDCLMSELSODQX-YUMQZZPRSA-N	-1	0	309.244	0.716	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(N)c2)CC1	ZINC001601053449	1159779371	/nfs/dbraw/zinc/77/93/71/1159779371.db2.gz	HICAECQDEGVQIL-UHFFFAOYSA-N	-1	0	309.347	0.648	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)CCC1	ZINC001601057601	1159779471	/nfs/dbraw/zinc/77/94/71/1159779471.db2.gz	DDDPWRYGYQRBRV-LBPRGKRZSA-N	-1	0	302.352	0.233	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CCN1CSCCSC1	ZINC001601070176	1159780583	/nfs/dbraw/zinc/78/05/83/1159780583.db2.gz	KBQYLYZZUMRWKO-UHFFFAOYSA-N	-1	0	317.436	0.900	20	30		DCEDRM
CS(=O)(=O)CC1(CN2CCC(C#N)(C(=O)[O-])CC2)CC1	ZINC001607368910	1159797703	/nfs/dbraw/zinc/79/77/03/1159797703.db2.gz	FXNCQNMEGIMWPR-UHFFFAOYSA-N	-1	0	300.380	0.502	20	30		DCEDRM
N#CCCCS(=O)(=O)N(CCC(=O)[O-])Cc1ccncc1	ZINC000275187865	534618616	/nfs/dbraw/zinc/61/86/16/534618616.db2.gz	ZAOMYBRVHUUFSU-UHFFFAOYSA-N	-1	0	311.363	0.992	20	30		DCEDRM
CN(C)C(=O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124045992	523993283	/nfs/dbraw/zinc/99/32/83/523993283.db2.gz	WOAVOPXGQQPOIT-UHFFFAOYSA-N	-1	0	303.290	0.203	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnc2cc(C)nn2c1C)C(=O)[O-]	ZINC000262894570	526792167	/nfs/dbraw/zinc/79/21/67/526792167.db2.gz	DEQIZBVRGMTYHM-GFCCVEGCSA-N	-1	0	318.333	0.732	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CNC(=O)c1ccccc1)C(=O)[O-]	ZINC000263008329	526803601	/nfs/dbraw/zinc/80/36/01/526803601.db2.gz	MXMQQWUMBWUUED-LBPRGKRZSA-N	-1	0	306.318	0.188	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263049028	526804387	/nfs/dbraw/zinc/80/43/87/526804387.db2.gz	PTSIYHBOXYPARM-LBPRGKRZSA-N	-1	0	308.290	0.909	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)OC[C@H]1CCCCO1)C(=O)[O-]	ZINC000262980689	526806178	/nfs/dbraw/zinc/80/61/78/526806178.db2.gz	KRJLMPWXOKTJIX-XQQFMLRXSA-N	-1	0	315.366	0.733	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263040697	526808267	/nfs/dbraw/zinc/80/82/67/526808267.db2.gz	PFCAKTOBGPRFAI-JTQLQIEISA-N	-1	0	324.289	0.989	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(C)C	ZINC000281544605	527413089	/nfs/dbraw/zinc/41/30/89/527413089.db2.gz	NOGDDOVZMLTQRT-JTQLQIEISA-N	-1	0	322.346	0.372	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H](C)C1CCOCC1)C(=O)[O-]	ZINC000684735448	548643852	/nfs/dbraw/zinc/64/38/52/548643852.db2.gz	MMKUEHCFXBOBQN-CMPLNLGQSA-N	-1	0	300.355	0.757	20	30		DCEDRM
COc1cc(CN(CC(=O)[O-])CC(=O)NCC#N)cc(OC)c1	ZINC000737881304	599826970	/nfs/dbraw/zinc/82/69/70/599826970.db2.gz	OIADMAVCIJBOJY-UHFFFAOYSA-N	-1	0	321.333	0.230	20	30		DCEDRM
N#Cc1ccsc1N1CC[C@@H](N2CCO[C@@H](C(=O)[O-])C2)C1=O	ZINC000819111120	596924458	/nfs/dbraw/zinc/92/44/58/596924458.db2.gz	MMPLZMZMIZSKRS-GHMZBOCLSA-N	-1	0	321.358	0.510	20	30		DCEDRM
CN(CC(=O)[O-])CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000739631342	597054585	/nfs/dbraw/zinc/05/45/85/597054585.db2.gz	BKPQTZYOEJQXQI-HNNXBMFYSA-N	-1	0	316.317	0.299	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(CNC(N)=O)cc1	ZINC000819848228	597604619	/nfs/dbraw/zinc/60/46/19/597604619.db2.gz	RLIUBBWOBGAGKM-CQSZACIVSA-N	-1	0	304.306	0.798	20	30		DCEDRM
Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])on1	ZINC000821008891	597613760	/nfs/dbraw/zinc/61/37/60/597613760.db2.gz	QYQKBQMTVMCZPI-OQPBUACISA-N	-1	0	309.278	0.858	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000819810960	597634136	/nfs/dbraw/zinc/63/41/36/597634136.db2.gz	IWLTXRLOCJPEQY-LRDDRELGSA-N	-1	0	321.377	0.756	20	30		DCEDRM
CCOCCN1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H]1C	ZINC000820377830	597648726	/nfs/dbraw/zinc/64/87/26/597648726.db2.gz	KTDGRXSELBYXEL-SWLSCSKDSA-N	-1	0	311.382	0.560	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nn1cc(Br)cn1	ZINC000819865613	597658680	/nfs/dbraw/zinc/65/86/80/597658680.db2.gz	MUMMUSDDZVRTSU-SECBINFHSA-N	-1	0	301.100	0.720	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1cc(C#N)cs1)[C@@H](C)C(=O)[O-]	ZINC000819752796	597695018	/nfs/dbraw/zinc/69/50/18/597695018.db2.gz	HUIMGFMMLZVMMN-QMMMGPOBSA-N	-1	0	309.347	0.671	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1sccc1C#N)[C@@H](C)C(=O)[O-]	ZINC000819762521	597697065	/nfs/dbraw/zinc/69/70/65/597697065.db2.gz	MPOHMGQUCCRDGO-QMMMGPOBSA-N	-1	0	309.347	0.671	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC000819700960	598142211	/nfs/dbraw/zinc/14/22/11/598142211.db2.gz	SZPPRPJFKQQVJL-UHFFFAOYSA-N	-1	0	314.341	0.986	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(C(=O)[O-])c1	ZINC000819720303	598145231	/nfs/dbraw/zinc/14/52/31/598145231.db2.gz	UALCNAHXRDTZID-SECBINFHSA-N	-1	0	320.301	0.942	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)NC(=O)CO2	ZINC000819857639	598222404	/nfs/dbraw/zinc/22/24/04/598222404.db2.gz	ZERPAOIZCFBSCR-AWEZNQCLSA-N	-1	0	303.274	0.961	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(N2CCNC2=O)CC1	ZINC000819811480	598224617	/nfs/dbraw/zinc/22/46/17/598224617.db2.gz	POKWFPVPNZQBKN-AWEZNQCLSA-N	-1	0	308.338	0.007	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCNC(=O)c1ccc(F)cc1	ZINC000819841767	598224896	/nfs/dbraw/zinc/22/48/96/598224896.db2.gz	CTJKFUCGBWBGLF-HNNXBMFYSA-N	-1	0	321.308	0.676	20	30		DCEDRM
CNC(=O)COc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC000820637057	598226842	/nfs/dbraw/zinc/22/68/42/598226842.db2.gz	BSFPKDYVXHCUSW-HNNXBMFYSA-N	-1	0	319.317	0.754	20	30		DCEDRM
Cc1ccoc1C(=O)NCCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821130203	598228262	/nfs/dbraw/zinc/22/82/62/598228262.db2.gz	BHHYTWUYXCHOLG-OAHLLOKOSA-N	-1	0	321.333	0.829	20	30		DCEDRM
Cn1cc(N2CCC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C2)cn1	ZINC000821298909	598228866	/nfs/dbraw/zinc/22/88/66/598228866.db2.gz	YSWIROCISFOVOE-NHYWBVRUSA-N	-1	0	319.365	0.510	20	30		DCEDRM
CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820498435	598230068	/nfs/dbraw/zinc/23/00/68/598230068.db2.gz	CIOSVSLPYHPLKH-LKFCYVNXSA-N	-1	0	305.338	0.796	20	30		DCEDRM
C=CCOCCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000819759049	599312724	/nfs/dbraw/zinc/31/27/24/599312724.db2.gz	MNDIJDWSAMEYHV-UHFFFAOYSA-N	-1	0	302.298	0.383	20	30		DCEDRM
N#Cc1ccc(N2CC[C@H](OC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2=O)cc1	ZINC000739123421	599704673	/nfs/dbraw/zinc/70/46/73/599704673.db2.gz	QUIPRLVFAHMUGY-UPJWGTAASA-N	-1	0	314.297	0.927	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000739146995	599737841	/nfs/dbraw/zinc/73/78/41/599737841.db2.gz	NVWCGSDQUKIDLN-UHFFFAOYSA-N	-1	0	300.274	0.857	20	30		DCEDRM
Cc1nc(SCC(=O)N[C@H](CO)C(=O)[O-])c(C#N)c(C)c1C	ZINC000738868536	599743860	/nfs/dbraw/zinc/74/38/60/599743860.db2.gz	JNIKBHZNTSRXLT-LLVKDONJSA-N	-1	0	323.374	0.532	20	30		DCEDRM
N#Cc1ccc(OC[C@H](O)CN2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000738431557	599972813	/nfs/dbraw/zinc/97/28/13/599972813.db2.gz	XFNCQDTXIRUPSV-TZMCWYRMSA-N	-1	0	306.318	0.083	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)CNc1ccc(C#N)cc1	ZINC000737604907	600011279	/nfs/dbraw/zinc/01/12/79/600011279.db2.gz	HIAVRAGBRUJHEH-UHFFFAOYSA-N	-1	0	305.290	0.056	20	30		DCEDRM
C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)[O-]	ZINC000736600622	600049573	/nfs/dbraw/zinc/04/95/73/600049573.db2.gz	VYTQRWUUZMVHRD-SECBINFHSA-N	-1	0	313.317	0.777	20	30		DCEDRM
N#Cc1cnn(-c2ccc(C(=O)NCCCC(=O)[O-])cc2)c1N	ZINC000738436027	600050404	/nfs/dbraw/zinc/05/04/04/600050404.db2.gz	YDZMSFZMXISJGJ-UHFFFAOYSA-N	-1	0	313.317	0.921	20	30		DCEDRM
N#Cc1ccc(CNC(=O)COC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000739118817	600167364	/nfs/dbraw/zinc/16/73/64/600167364.db2.gz	XELRUSNARWQYAH-RYUDHWBXSA-N	-1	0	302.286	0.438	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1	ZINC000736089791	600346852	/nfs/dbraw/zinc/34/68/52/600346852.db2.gz	PWFCJOKRWURTHJ-SNVBAGLBSA-N	-1	0	304.302	0.474	20	30		DCEDRM
CCN(C)C(=O)c1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000737067786	600405052	/nfs/dbraw/zinc/40/50/52/600405052.db2.gz	RJWKOSBACKEDAH-UHFFFAOYSA-N	-1	0	303.318	0.829	20	30		DCEDRM
CC(=O)N[C@H](CC(=O)N(CC#N)CC(=O)[O-])c1ccccc1	ZINC000736144483	600405601	/nfs/dbraw/zinc/40/56/01/600405601.db2.gz	DLQKTLQIHUKPDE-CYBMUJFWSA-N	-1	0	303.318	0.691	20	30		DCEDRM
Cc1nn(C(F)F)c(C)c1CC(=O)N(CC#N)CC(=O)[O-]	ZINC000738906658	600406452	/nfs/dbraw/zinc/40/64/52/600406452.db2.gz	VLDQNKICZVQTBF-UHFFFAOYSA-N	-1	0	300.265	0.874	20	30		DCEDRM
COc1cc(C(=O)N(CC#N)CC(=O)[O-])cc2c1OCCO2	ZINC000737843998	600407661	/nfs/dbraw/zinc/40/76/61/600407661.db2.gz	DYJIJBBQELEWBA-UHFFFAOYSA-N	-1	0	306.274	0.517	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CN1C(=O)CSc2ccccc21	ZINC000739077626	600410149	/nfs/dbraw/zinc/41/01/49/600410149.db2.gz	SDJFGSNUVQTETI-UHFFFAOYSA-N	-1	0	319.342	0.562	20	30		DCEDRM
C=CCNC(=O)NC(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000324166847	600442953	/nfs/dbraw/zinc/44/29/53/600442953.db2.gz	DSCAPSKREYWVMP-UHFFFAOYSA-N	-1	0	323.261	0.684	20	30		DCEDRM
CC(=O)NC[C@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC000736149713	600572016	/nfs/dbraw/zinc/57/20/16/600572016.db2.gz	ZTVCTKFHEAGOPS-GJZGRUSLSA-N	-1	0	317.345	0.521	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC2(C#N)CC2)c1	ZINC000737655067	600577699	/nfs/dbraw/zinc/57/76/99/600577699.db2.gz	ZPTZTZCDJNNUAQ-UHFFFAOYSA-N	-1	0	324.314	0.506	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)CN2CCCC2=O)C(=O)[O-])cc1	ZINC000739109381	600609916	/nfs/dbraw/zinc/60/99/16/600609916.db2.gz	KVLQFWFCYNVLDO-CQSZACIVSA-N	-1	0	302.286	0.850	20	30		DCEDRM
COc1cc(C#N)ccc1OCCN1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000737844648	600713528	/nfs/dbraw/zinc/71/35/28/600713528.db2.gz	PSRWBQZGZHDICC-NEPJUHHUSA-N	-1	0	306.318	0.465	20	30		DCEDRM
Cc1nc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])n(-c2ccc(C#N)cc2)n1	ZINC000738865103	601021240	/nfs/dbraw/zinc/02/12/40/601021240.db2.gz	UYEUPWPORIRBDA-RYUDHWBXSA-N	-1	0	311.301	0.529	20	30		DCEDRM
N#C[C@H]1COCCN1C[C@H](O)COc1ccc(C(=O)[O-])cc1	ZINC000833061961	601041965	/nfs/dbraw/zinc/04/19/65/601041965.db2.gz	IATDXPLSGKDZCJ-STQMWFEESA-N	-1	0	306.318	0.349	20	30		DCEDRM
C=C(Br)CNC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000825642219	601061862	/nfs/dbraw/zinc/06/18/62/601061862.db2.gz	KUVCALLAENXMBB-UHFFFAOYSA-N	-1	0	303.116	0.998	20	30		DCEDRM
N#CCN1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1	ZINC000833066707	601074059	/nfs/dbraw/zinc/07/40/59/601074059.db2.gz	GAVAYMFDLZUENR-UHFFFAOYSA-N	-1	0	301.346	0.985	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000831724909	601131918	/nfs/dbraw/zinc/13/19/18/601131918.db2.gz	GKXITWLHTBYFQV-UHFFFAOYSA-N	-1	0	304.368	0.433	20	30		DCEDRM
C#CCNC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000825619059	601147387	/nfs/dbraw/zinc/14/73/87/601147387.db2.gz	JTCRAWOKHRIDRM-SECBINFHSA-N	-1	0	307.331	0.484	20	30		DCEDRM
C#CCNC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000825619062	601147467	/nfs/dbraw/zinc/14/74/67/601147467.db2.gz	JTCRAWOKHRIDRM-VIFPVBQESA-N	-1	0	307.331	0.484	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000825687259	601177214	/nfs/dbraw/zinc/17/72/14/601177214.db2.gz	HPTTUUZFVKRUGR-NXEZZACHSA-N	-1	0	312.322	0.432	20	30		DCEDRM
CN(CC(=O)N1CCOCC1)[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000830669464	601317651	/nfs/dbraw/zinc/31/76/51/601317651.db2.gz	BZYTUIUYLPVOEU-OAHLLOKOSA-N	-1	0	317.345	0.475	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)C2=NNC(=O)CC2)C(=O)[O-])c1	ZINC000833074539	601343693	/nfs/dbraw/zinc/34/36/93/601343693.db2.gz	AEBHAVISGYXMRT-GFCCVEGCSA-N	-1	0	301.258	0.493	20	30		DCEDRM
CN(C(=O)CN1CCO[C@H](CC(=O)[O-])C1)C1(C#N)CCCCC1	ZINC000830485311	601456555	/nfs/dbraw/zinc/45/65/55/601456555.db2.gz	DBMOMQKCLPYWME-CYBMUJFWSA-N	-1	0	323.393	0.847	20	30		DCEDRM
CN(CCC#N)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000830723202	601561733	/nfs/dbraw/zinc/56/17/33/601561733.db2.gz	QUGJSVSNXHHPMS-AWEZNQCLSA-N	-1	0	301.346	0.870	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@H](CC(=O)[O-])C1	ZINC000831084457	601573164	/nfs/dbraw/zinc/57/31/64/601573164.db2.gz	LFEJTPQGGNEHAB-UKRRQHHQSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCC(=O)[O-]	ZINC000828500659	601748237	/nfs/dbraw/zinc/74/82/37/601748237.db2.gz	WDYYHWWMRZAXGA-JTQLQIEISA-N	-1	0	303.322	0.250	20	30		DCEDRM
CN1CCCc2ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc21	ZINC000830946808	601983455	/nfs/dbraw/zinc/98/34/55/601983455.db2.gz	ZHPJIOWBCLYXLW-UHFFFAOYSA-N	-1	0	323.374	0.668	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000827991302	602053455	/nfs/dbraw/zinc/05/34/55/602053455.db2.gz	AIZSCPLABYCKQF-MRXNPFEDSA-N	-1	0	315.329	0.611	20	30		DCEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCN3C(=O)OC[C@@H]3C2)cc1	ZINC000833070931	602058785	/nfs/dbraw/zinc/05/87/85/602058785.db2.gz	BPCXNUVMRZHVJJ-STQMWFEESA-N	-1	0	301.302	0.820	20	30		DCEDRM
C#CCCNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1	ZINC000825608571	602211373	/nfs/dbraw/zinc/21/13/73/602211373.db2.gz	DBRLHXLWYYTTCL-UHFFFAOYSA-N	-1	0	310.331	0.933	20	30		DCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000736348253	602724816	/nfs/dbraw/zinc/72/48/16/602724816.db2.gz	VLPMQBDUDPGAIM-OLZOCXBDSA-N	-1	0	310.398	0.971	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1CNC(=O)[O-]	ZINC000831156723	603148136	/nfs/dbraw/zinc/14/81/36/603148136.db2.gz	ITNYILLJBGNMLI-LLVKDONJSA-N	-1	0	309.347	0.979	20	30		DCEDRM
COC(=O)c1cccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000828793640	603604291	/nfs/dbraw/zinc/60/42/91/603604291.db2.gz	JICWWGHKUPIOPR-LBPRGKRZSA-N	-1	0	317.301	0.801	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O	ZINC000831156765	603612085	/nfs/dbraw/zinc/61/20/85/603612085.db2.gz	JZJFUGOOKQVJIU-ZDUSSCGKSA-N	-1	0	318.285	0.802	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)NC(=O)[O-]	ZINC000830176253	603616893	/nfs/dbraw/zinc/61/68/93/603616893.db2.gz	NSKQMMKUNLMKKZ-UHFFFAOYSA-N	-1	0	318.333	0.968	20	30		DCEDRM
C[C@@H](CCNC(=O)CCNC(=O)C1N=CC=CC1=O)NC(=O)[O-]	ZINC000824785933	603721165	/nfs/dbraw/zinc/72/11/65/603721165.db2.gz	IMMLBWYIWAFEJP-LZTQFINJSA-N	-1	0	324.337	0.065	20	30		DCEDRM
CC1(C)CN(C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000825734356	603757261	/nfs/dbraw/zinc/75/72/61/603757261.db2.gz	LXERLYCDICTCCL-UHFFFAOYSA-N	-1	0	324.362	0.716	20	30		DCEDRM
N#Cc1cccc(OCCOC(=O)[C@@H]2COCCN2C(=O)[O-])c1	ZINC000831152855	603906305	/nfs/dbraw/zinc/90/63/05/603906305.db2.gz	POEKOALTSZAUAO-ZDUSSCGKSA-N	-1	0	320.301	0.859	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1	ZINC000831102140	603915722	/nfs/dbraw/zinc/91/57/22/603915722.db2.gz	AFUPFTYELLTYMD-FZMZJTMJSA-N	-1	0	312.345	0.430	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)C1CCCCC1	ZINC000831092140	603916828	/nfs/dbraw/zinc/91/68/28/603916828.db2.gz	QEFBMXDLYPEJHG-SNVBAGLBSA-N	-1	0	301.368	0.837	20	30		DCEDRM
CCC[C@H](C)CS(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826728191	603917714	/nfs/dbraw/zinc/91/77/14/603917714.db2.gz	KKNGEQJAEUCXCB-WDEREUQCSA-N	-1	0	303.384	0.940	20	30		DCEDRM
CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000823610944	604065284	/nfs/dbraw/zinc/06/52/84/604065284.db2.gz	JXTJBAOSTJGFNP-CYBMUJFWSA-N	-1	0	316.317	0.973	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CNC(=O)c1ccccc1	ZINC000831082846	604075150	/nfs/dbraw/zinc/07/51/50/604075150.db2.gz	SDNNAGVDSUMZIK-LBPRGKRZSA-N	-1	0	316.317	0.131	20	30		DCEDRM
COc1ccccc1NCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000829637382	604079954	/nfs/dbraw/zinc/07/99/54/604079954.db2.gz	AVRMLENGTALGQM-LLVKDONJSA-N	-1	0	318.333	0.821	20	30		DCEDRM
Cn1c(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)ccc1[N+](=O)[O-]	ZINC000830969589	604083440	/nfs/dbraw/zinc/08/34/40/604083440.db2.gz	XCFJXPFUOPDQNJ-QMMMGPOBSA-N	-1	0	307.266	0.261	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(NC=O)cc1	ZINC000831088151	604085674	/nfs/dbraw/zinc/08/56/74/604085674.db2.gz	YSYUMRPUAVKNEU-GFCCVEGCSA-N	-1	0	302.290	0.583	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)CN(C)C(=O)[O-])CC1	ZINC000824842246	604136394	/nfs/dbraw/zinc/13/63/94/604136394.db2.gz	XGVKPHOCMGSGMY-CHWSQXEVSA-N	-1	0	310.398	0.925	20	30		DCEDRM
COc1ccc([C@H](NC(=O)Cn2cnc(C#N)n2)C(=O)[O-])cc1	ZINC000832245404	604308373	/nfs/dbraw/zinc/30/83/73/604308373.db2.gz	MDJBDGQTHFOWNR-ZDUSSCGKSA-N	-1	0	315.289	0.100	20	30		DCEDRM
CN(C(=O)CN[C@]1(C(=O)[O-])CCOC1)C1(C#N)CCCCC1	ZINC000833686442	604488316	/nfs/dbraw/zinc/48/83/16/604488316.db2.gz	WCSXBKUZCCXJBC-OAHLLOKOSA-N	-1	0	309.366	0.505	20	30		DCEDRM
C=CCCS(=O)(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823501462	604765386	/nfs/dbraw/zinc/76/53/86/604765386.db2.gz	XHMTUOZPYWIOPV-NXEZZACHSA-N	-1	0	306.384	0.985	20	30		DCEDRM
O=C([O-])NC[C@H]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC000832578540	604817375	/nfs/dbraw/zinc/81/73/75/604817375.db2.gz	OJGCUPWQOATNJC-GFCCVEGCSA-N	-1	0	316.313	0.883	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000819100454	604819056	/nfs/dbraw/zinc/81/90/56/604819056.db2.gz	HXJUEEVWJDHLRH-SECBINFHSA-N	-1	0	305.265	0.569	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cnccc1C(=O)[O-]	ZINC000825687081	604869688	/nfs/dbraw/zinc/86/96/88/604869688.db2.gz	ADFFDWWTYNUJSZ-QMMMGPOBSA-N	-1	0	321.289	0.337	20	30		DCEDRM
C=CCSCCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833378755	604889723	/nfs/dbraw/zinc/88/97/23/604889723.db2.gz	UTXXJROLWBXPSQ-LLVKDONJSA-N	-1	0	302.396	0.773	20	30		DCEDRM
C[C@H](OC(=O)Cc1cccc(OCC#N)c1)C(=O)NCC(=O)[O-]	ZINC000833533605	604914169	/nfs/dbraw/zinc/91/41/69/604914169.db2.gz	YMJXCSOSTZEKIZ-JTQLQIEISA-N	-1	0	320.301	0.264	20	30		DCEDRM
C#CCN(Cc1ccccc1CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000833365193	605072998	/nfs/dbraw/zinc/07/29/98/605072998.db2.gz	ZJKRLMZWOSXHNQ-OAHLLOKOSA-N	-1	0	321.398	0.936	20	30		DCEDRM
CC[C@H](NC(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCCCC1	ZINC000827539347	605081687	/nfs/dbraw/zinc/08/16/87/605081687.db2.gz	RYENFMFRRHTRAV-JTQLQIEISA-N	-1	0	311.338	0.918	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000833369582	605093388	/nfs/dbraw/zinc/09/33/88/605093388.db2.gz	AOIVYXXRRDMRON-VIFPVBQESA-N	-1	0	324.308	0.763	20	30		DCEDRM
CS(=O)(=O)CC1(Cn2cc(C(=O)[O-])cc(C#N)c2=O)CCC1	ZINC000833738253	605168245	/nfs/dbraw/zinc/16/82/45/605168245.db2.gz	TZEOFKGBJKDJRL-UHFFFAOYSA-N	-1	0	324.358	0.633	20	30		DCEDRM
C#CCCN1CCN(CC(=O)Nc2ccccc2C(=O)[O-])CC1	ZINC000833362173	605191284	/nfs/dbraw/zinc/19/12/84/605191284.db2.gz	CQIZVGLUUMBSBB-UHFFFAOYSA-N	-1	0	315.373	0.964	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000393791398	605210047	/nfs/dbraw/zinc/21/00/47/605210047.db2.gz	YSRXTCLDEAKUBK-UHFFFAOYSA-N	-1	0	312.347	0.274	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833376859	605210542	/nfs/dbraw/zinc/21/05/42/605210542.db2.gz	SFUFUTBALMXAIS-UHFFFAOYSA-N	-1	0	316.310	0.104	20	30		DCEDRM
COCCN(CC(=O)[O-])c1ncnc2c1cnn2CCC#N	ZINC000820730467	605241299	/nfs/dbraw/zinc/24/12/99/605241299.db2.gz	UAAGNYHDQFFJPG-UHFFFAOYSA-N	-1	0	304.310	0.277	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-]	ZINC000833366026	605418461	/nfs/dbraw/zinc/41/84/61/605418461.db2.gz	BUNVPVUYOKFQSL-UHFFFAOYSA-N	-1	0	317.750	0.966	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(C(=O)[O-])C2)cn1	ZINC000833977626	605426008	/nfs/dbraw/zinc/42/60/08/605426008.db2.gz	QTJHSIHWOJYRKE-VIFPVBQESA-N	-1	0	310.335	0.231	20	30		DCEDRM
C[C@@H]1C[C@H](NC(=O)[O-])CCN1S(=O)(=O)N(C)CCC#N	ZINC000825843513	605542360	/nfs/dbraw/zinc/54/23/60/605542360.db2.gz	APLGFEFFDSQXFX-NXEZZACHSA-N	-1	0	304.372	0.197	20	30		DCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833374881	605609903	/nfs/dbraw/zinc/60/99/03/605609903.db2.gz	LHARSDBWLSWTEN-NXEZZACHSA-N	-1	0	305.352	0.231	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC(N(C)C(=O)[O-])CC2)c1C#N	ZINC000833936901	605695776	/nfs/dbraw/zinc/69/57/76/605695776.db2.gz	RTCPOSOGSYFQMR-UHFFFAOYSA-N	-1	0	306.322	0.998	20	30		DCEDRM
CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000823843709	605716248	/nfs/dbraw/zinc/71/62/48/605716248.db2.gz	OHDRHYQAOWQEBY-NWDGAFQWSA-N	-1	0	308.382	0.867	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(CCC(=O)N(C)CCC#N)CCO1	ZINC000833817625	605750513	/nfs/dbraw/zinc/75/05/13/605750513.db2.gz	IEBFSAFCXKPHCM-NWDGAFQWSA-N	-1	0	312.370	0.105	20	30		DCEDRM
NC(=O)CON=C1C[C@@]2(CCN(C(=O)[O-])C2)Oc2ccccc21	ZINC000833984648	605754431	/nfs/dbraw/zinc/75/44/31/605754431.db2.gz	HTAMCWYOORQMJV-OAHLLOKOSA-N	-1	0	319.317	0.798	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NCC2CN(C(=O)[O-])C2)c(F)c1	ZINC000833976547	605780347	/nfs/dbraw/zinc/78/03/47/605780347.db2.gz	WGJNSOTZRSQUOB-UHFFFAOYSA-N	-1	0	320.280	0.362	20	30		DCEDRM
C#CCN1CCN(C(=O)CN2CCCCC[C@H]2C(=O)[O-])CC1	ZINC000833364149	605846575	/nfs/dbraw/zinc/84/65/75/605846575.db2.gz	FOUQILISAJUQFB-AWEZNQCLSA-N	-1	0	307.394	0.093	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000833972394	605847391	/nfs/dbraw/zinc/84/73/91/605847391.db2.gz	CQLPJLMUZSGXAD-QWHCGFSZSA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#Cc1cccc(COC(=O)CNC(=O)CNC(=O)[O-])c1F	ZINC000833978513	605956039	/nfs/dbraw/zinc/95/60/39/605956039.db2.gz	NDUZDHHUQNXHHO-UHFFFAOYSA-N	-1	0	309.253	0.124	20	30		DCEDRM
N#Cc1nc(NC(=O)Cc2cccc(-c3nn[nH]n3)c2)[n-]c1C#N	ZINC000822846339	606591775	/nfs/dbraw/zinc/59/17/75/606591775.db2.gz	XUMVPQJDXOFCCY-UHFFFAOYSA-N	-1	0	319.288	0.514	20	30		DCEDRM
Cn1cc(-c2nnn[n-]2)c(=O)n(CCCC(C)(C)C#N)c1=O	ZINC000826356644	608096488	/nfs/dbraw/zinc/09/64/88/608096488.db2.gz	ZRMRBHAIALCTRD-UHFFFAOYSA-N	-1	0	303.326	0.057	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1	ZINC000180179511	665424332	/nfs/dbraw/zinc/42/43/32/665424332.db2.gz	XGFGSVJINXCCEN-JTQLQIEISA-N	-1	0	315.395	0.998	20	30		DCEDRM
COc1cccc(S(=O)(=O)[N-]C(=O)CN(C)C(C)=O)c1	ZINC000049515815	657476267	/nfs/dbraw/zinc/47/62/67/657476267.db2.gz	PBEFQMLFNVZNLY-UHFFFAOYSA-N	-1	0	300.336	0.819	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)[C@H]2C)c1[O-]	ZINC001020535781	657878409	/nfs/dbraw/zinc/87/84/09/657878409.db2.gz	RAQLHMHMTJFGFS-HGNGGELXSA-N	-1	0	305.338	0.303	20	30		DCEDRM
CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C	ZINC000947601193	658401450	/nfs/dbraw/zinc/40/14/50/658401450.db2.gz	BVQBCTFYJHQVEQ-RYUDHWBXSA-N	-1	0	318.377	0.092	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnn2)cc1	ZINC000181294643	659031317	/nfs/dbraw/zinc/03/13/17/659031317.db2.gz	YCPHMDOWYMIOHW-UHFFFAOYSA-N	-1	0	319.346	0.631	20	30		DCEDRM
N#CCCN(CCC#N)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000314297828	659599579	/nfs/dbraw/zinc/59/95/79/659599579.db2.gz	YMPQMAWYCGIEBE-UHFFFAOYSA-N	-1	0	323.330	0.908	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1cnc(OC)nc1	ZINC000893773552	661406135	/nfs/dbraw/zinc/40/61/35/661406135.db2.gz	PDUOZEIPAXDMIT-UHFFFAOYSA-N	-1	0	307.278	0.502	20	30		DCEDRM
N#CCN1CC[C@H](CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001028927027	661892758	/nfs/dbraw/zinc/89/27/58/661892758.db2.gz	VAEBPGARHHWUSF-SECBINFHSA-N	-1	0	301.306	0.504	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)CCC(=O)N2CCOCC2)c1	ZINC000748412010	661989550	/nfs/dbraw/zinc/98/95/50/661989550.db2.gz	HFFFXQKZXVOCHI-UHFFFAOYSA-N	-1	0	303.318	0.841	20	30		DCEDRM
C=CCN1C(=O)N(CC(=O)[N-]OC)C(=O)[C@@H]1Cc1ccccc1	ZINC000925254973	662559912	/nfs/dbraw/zinc/55/99/12/662559912.db2.gz	UGROFTVJKGPCIN-ZDUSSCGKSA-N	-1	0	317.345	0.726	20	30		DCEDRM
C[C@H]1CCN(S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)C1	ZINC000899926933	663201190	/nfs/dbraw/zinc/20/11/90/663201190.db2.gz	QDOXDRKWOIVMGN-NWDGAFQWSA-N	-1	0	300.380	0.373	20	30		DCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1	ZINC000899929937	663201705	/nfs/dbraw/zinc/20/17/05/663201705.db2.gz	MATMBBLXGIXSTI-ZDUSSCGKSA-N	-1	0	314.407	0.907	20	30		DCEDRM
Cn1cc(C(=O)[O-])cc1C=NNC(=S)NC[C@@H]1CCCO1	ZINC000901139370	663324486	/nfs/dbraw/zinc/32/44/86/663324486.db2.gz	PJSLAUXJTPUDRR-NSHDSACASA-N	-1	0	310.379	0.700	20	30		DCEDRM
C=CC1CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	ZINC000901806918	663368740	/nfs/dbraw/zinc/36/87/40/663368740.db2.gz	ZOTMWTGLZOCTTL-UHFFFAOYSA-N	-1	0	315.391	0.691	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC000902438881	663414385	/nfs/dbraw/zinc/41/43/85/663414385.db2.gz	ZJFSLKBGPAXIIE-NEPJUHHUSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC000902444983	663414851	/nfs/dbraw/zinc/41/48/51/663414851.db2.gz	RRMFUJNGBNOXOV-SCRDCRAPSA-N	-1	0	324.377	0.550	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)[C@H]1CCCO1	ZINC000906934218	663652613	/nfs/dbraw/zinc/65/26/13/663652613.db2.gz	HIKSZWJTQHWSLI-NXEZZACHSA-N	-1	0	315.372	0.905	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)C1	ZINC000907127471	663669494	/nfs/dbraw/zinc/66/94/94/663669494.db2.gz	MOXFIUVYVPZADP-UHFFFAOYSA-N	-1	0	313.306	0.201	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)C1	ZINC000907128014	663669854	/nfs/dbraw/zinc/66/98/54/663669854.db2.gz	PVTPEDJCJFUTDJ-UHFFFAOYSA-N	-1	0	309.343	0.316	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000908702869	663766800	/nfs/dbraw/zinc/76/68/00/663766800.db2.gz	CGCMMBCCZYNBKX-SRVKXCTJSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)NCc1cnc(N(C)C)n1C)C(=O)[O-]	ZINC000908960698	663777158	/nfs/dbraw/zinc/77/71/58/663777158.db2.gz	HUZMUSDEVPJGBZ-LLVKDONJSA-N	-1	0	309.370	0.705	20	30		DCEDRM
C#CCSCCNC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC000909051511	663779935	/nfs/dbraw/zinc/77/99/35/663779935.db2.gz	AUNLOEBKJVHSPT-LBPRGKRZSA-N	-1	0	314.407	0.922	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000909238580	663788657	/nfs/dbraw/zinc/78/86/57/663788657.db2.gz	QGWWJICSDFAODU-AAEUAGOBSA-N	-1	0	312.366	0.853	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cn2c(n1)CC[C@@H](C)C2)C(=O)[O-]	ZINC000909772778	663800956	/nfs/dbraw/zinc/80/09/56/663800956.db2.gz	VFEPRUGZJGIXOB-PWSUYJOCSA-N	-1	0	307.350	0.851	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2	ZINC000909794091	663806494	/nfs/dbraw/zinc/80/64/94/663806494.db2.gz	OYURUSWLSHKFDE-IINYFYTJSA-N	-1	0	303.314	0.902	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1cc(OC)c(OC)c(OC)c1)C(=O)[O-]	ZINC000910052351	663837447	/nfs/dbraw/zinc/83/74/47/663837447.db2.gz	UXPDSPUPGMMKIB-NSHDSACASA-N	-1	0	321.329	0.848	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1)C(=O)[O-]	ZINC000910046148	663840542	/nfs/dbraw/zinc/84/05/42/663840542.db2.gz	MDNUDSPMFBMATB-BFHYXJOUSA-N	-1	0	303.314	0.736	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(C)nn1C1CCOCC1)C(=O)[O-]	ZINC000910048990	663840589	/nfs/dbraw/zinc/84/05/89/663840589.db2.gz	QMFOWYQDURTDMA-GFCCVEGCSA-N	-1	0	305.334	0.749	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000910098072	663844808	/nfs/dbraw/zinc/84/48/08/663844808.db2.gz	HMUGVXKWLCTBQP-XHDPSFHLSA-N	-1	0	322.365	0.979	20	30		DCEDRM
C#C[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)c1ccccc1	ZINC000911500950	664065672	/nfs/dbraw/zinc/06/56/72/664065672.db2.gz	PFNQPVQBHFLJBX-GFCCVEGCSA-N	-1	0	300.318	0.960	20	30		DCEDRM
C#C[C@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)[C@H]1CCCO1	ZINC000911578459	664085828	/nfs/dbraw/zinc/08/58/28/664085828.db2.gz	JNGRGLWJMSRTPE-WCQYABFASA-N	-1	0	305.334	0.659	20	30		DCEDRM
C#CCN(C(=O)c1ccc(-c2nn[nH]n2)cn1)C1CSC1	ZINC000912362870	664165961	/nfs/dbraw/zinc/16/59/61/664165961.db2.gz	XEJVALNYGHOQQW-UHFFFAOYSA-N	-1	0	300.347	0.453	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(Cc2cccc(F)c2)nn1	ZINC000151686510	664711490	/nfs/dbraw/zinc/71/14/90/664711490.db2.gz	AZUYCWFMWVEGKU-NSHDSACASA-N	-1	0	301.281	0.534	20	30		DCEDRM
COC(=O)c1coc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1	ZINC000760254288	664731131	/nfs/dbraw/zinc/73/11/31/664731131.db2.gz	CZJNUPDKCQPDDV-UHFFFAOYSA-N	-1	0	314.319	0.676	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730525814	664785241	/nfs/dbraw/zinc/78/52/41/664785241.db2.gz	IMKOEJBSHVXFIN-UHFFFAOYSA-N	-1	0	322.328	0.601	20	30		DCEDRM
N#CC1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCCCC1	ZINC000730542884	664791569	/nfs/dbraw/zinc/79/15/69/664791569.db2.gz	ZJSHZBAMBYKRAF-UHFFFAOYSA-N	-1	0	300.322	0.414	20	30		DCEDRM
N#Cc1nc(NC(=O)CSc2nnnn2C2CC2)[n-]c1C#N	ZINC000914858090	664832291	/nfs/dbraw/zinc/83/22/91/664832291.db2.gz	KYMFOFMRUBTZPB-UHFFFAOYSA-N	-1	0	315.322	0.205	20	30		DCEDRM
CC(C)(C)[C@H](O)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000732718333	664954228	/nfs/dbraw/zinc/95/42/28/664954228.db2.gz	NZPTXJIXXCNBCH-LLVKDONJSA-N	-1	0	304.306	0.757	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)OCO2	ZINC000916875093	665098214	/nfs/dbraw/zinc/09/82/14/665098214.db2.gz	JZZINWJVUWAUFJ-NSHDSACASA-N	-1	0	304.302	0.890	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)cc1	ZINC000916892895	665099448	/nfs/dbraw/zinc/09/94/48/665099448.db2.gz	SAEXJRNXWFKSAP-GFCCVEGCSA-N	-1	0	304.302	0.558	20	30		DCEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)ccc1-n1cnnn1	ZINC000916931508	665101662	/nfs/dbraw/zinc/10/16/62/665101662.db2.gz	QVOVMGBXZAKEOT-GFCCVEGCSA-N	-1	0	310.317	0.572	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1nc(C)n(-c2ccc(F)cc2)n1	ZINC000917005165	665108444	/nfs/dbraw/zinc/10/84/44/665108444.db2.gz	LNMHBCSQOONHER-LLVKDONJSA-N	-1	0	301.281	0.783	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001031679751	665285232	/nfs/dbraw/zinc/28/52/32/665285232.db2.gz	HZVIXECGVHJXQC-NEPJUHHUSA-N	-1	0	321.381	0.040	20	30		DCEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H]1CCN(C(=O)[C@@H](C)C#N)C1	ZINC000942742345	666213539	/nfs/dbraw/zinc/21/35/39/666213539.db2.gz	FGQPVVPSAKAHTO-ONGXEEELSA-N	-1	0	319.365	0.646	20	30		DCEDRM
CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001033024470	666435055	/nfs/dbraw/zinc/43/50/55/666435055.db2.gz	XCCBNMGSRFLRMA-LLVKDONJSA-N	-1	0	315.337	0.057	20	30		DCEDRM
C[C@@H](NC(=O)c1cn[nH]n1)[C@H]1CCCN(C(=O)C#CC2CC2)C1	ZINC000945627542	666633547	/nfs/dbraw/zinc/63/35/47/666633547.db2.gz	MIOXXENHMBDKLR-YPMHNXCESA-N	-1	0	315.377	0.575	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N1CCCC1=O	ZINC000788066953	666944395	/nfs/dbraw/zinc/94/43/95/666944395.db2.gz	AVHFVOQBGSFWLX-GFCCVEGCSA-N	-1	0	300.380	0.103	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc2onc(CC)c2c1	ZINC000788070177	666984960	/nfs/dbraw/zinc/98/49/60/666984960.db2.gz	IZPXWSLGMPYVAT-UHFFFAOYSA-N	-1	0	307.331	0.868	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1cccs1	ZINC000788070297	666985712	/nfs/dbraw/zinc/98/57/12/666985712.db2.gz	KBKNVFITUQAJTP-VIFPVBQESA-N	-1	0	314.388	0.336	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC000861883957	666992019	/nfs/dbraw/zinc/99/20/19/666992019.db2.gz	HSAKSSBOGVARRI-ZETCQYMHSA-N	-1	0	304.224	0.182	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000863411068	667140531	/nfs/dbraw/zinc/14/05/31/667140531.db2.gz	STOAOTMNCUQIHL-NSHDSACASA-N	-1	0	314.294	0.408	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(C#N)c2)C1	ZINC000863430102	667143027	/nfs/dbraw/zinc/14/30/27/667143027.db2.gz	QQRASFRWEOCKDY-ZDUSSCGKSA-N	-1	0	310.331	0.422	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)C2CN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001005917020	667461077	/nfs/dbraw/zinc/46/10/77/667461077.db2.gz	JSYSLHQUUGICFS-JGVFFNPUSA-N	-1	0	305.338	0.160	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)C1	ZINC000923582436	667572322	/nfs/dbraw/zinc/57/23/22/667572322.db2.gz	OVDFDDDWENYEAQ-ZDUSSCGKSA-N	-1	0	302.378	0.555	20	30		DCEDRM
COC(=O)c1cc(C(=O)N[C@@H]2CCCN(O)C2=O)ccc1C	ZINC000868562737	667581398	/nfs/dbraw/zinc/58/13/98/667581398.db2.gz	LESSUDLKBGTFSX-GFCCVEGCSA-N	-1	0	306.318	0.892	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)OCC(=O)CCNC(=O)C(F)(F)F	ZINC000869530969	667665539	/nfs/dbraw/zinc/66/55/39/667665539.db2.gz	XHVDLFPXOJBHSG-ZJUUUORDSA-N	-1	0	323.267	0.758	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]C(=O)C[C@H](CC#N)c1ccccc1	ZINC000838799714	667707360	/nfs/dbraw/zinc/70/73/60/667707360.db2.gz	DEOJRQIJNMPNEY-LBPRGKRZSA-N	-1	0	324.358	0.693	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	ZINC000838782142	667710161	/nfs/dbraw/zinc/71/01/61/667710161.db2.gz	YQUADNNXCHCION-CYZMBNFOSA-N	-1	0	318.354	0.978	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@H](C)CC2	ZINC000870137935	667713553	/nfs/dbraw/zinc/71/35/53/667713553.db2.gz	FLJWCKWRJXSJIH-GHMZBOCLSA-N	-1	0	304.350	0.550	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)ncc1C#N	ZINC000838851885	667714098	/nfs/dbraw/zinc/71/40/98/667714098.db2.gz	RRFUBHFDTZLRRW-UHFFFAOYSA-N	-1	0	306.347	0.871	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](OCC)[C@@H]2CCOC2)CC1	ZINC000870369054	667734638	/nfs/dbraw/zinc/73/46/38/667734638.db2.gz	JFMNVZYKAHXAFT-NEPJUHHUSA-N	-1	0	317.407	0.983	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2COCCN2CC(F)F)c1	ZINC000870691350	667752119	/nfs/dbraw/zinc/75/21/19/667752119.db2.gz	IXMFDVPGYLJDRP-GFCCVEGCSA-N	-1	0	311.288	0.934	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn3ccc(C)nc23)CC1	ZINC000870832789	667764898	/nfs/dbraw/zinc/76/48/98/667764898.db2.gz	QKYDTFWTYDEPOD-UHFFFAOYSA-N	-1	0	306.347	0.816	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccnn2CC(F)F)CC1	ZINC000870836518	667765512	/nfs/dbraw/zinc/76/55/12/667765512.db2.gz	CMGOIKAQXMPPPW-UHFFFAOYSA-N	-1	0	305.306	0.926	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COCc2ncc(C)o2)CC1	ZINC000870838417	667765519	/nfs/dbraw/zinc/76/55/19/667765519.db2.gz	XWJJHGYUFWFFSM-UHFFFAOYSA-N	-1	0	300.336	0.664	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](CC(=C)C)NC(C)=O)CC1	ZINC000870838884	667765523	/nfs/dbraw/zinc/76/55/23/667765523.db2.gz	PSIIXJOXBQCNFL-LLVKDONJSA-N	-1	0	300.380	0.622	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCC(=O)c2cnn(C)c2)CC1	ZINC000870836851	667765560	/nfs/dbraw/zinc/76/55/60/667765560.db2.gz	OXOAEPQIJIGZSA-UHFFFAOYSA-N	-1	0	311.363	0.548	20	30		DCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)nnn1C	ZINC000744007155	667819320	/nfs/dbraw/zinc/81/93/20/667819320.db2.gz	BVYZVJUYBOFBKD-UHFFFAOYSA-N	-1	0	319.346	0.255	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc1	ZINC000744136882	667820913	/nfs/dbraw/zinc/82/09/13/667820913.db2.gz	KGMLIDVKVPTRSC-CYBMUJFWSA-N	-1	0	309.343	0.547	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)CC(F)(F)F)cc1	ZINC000744263549	667824401	/nfs/dbraw/zinc/82/44/01/667824401.db2.gz	LHMLHLODGBWATQ-UHFFFAOYSA-N	-1	0	322.264	0.945	20	30		DCEDRM
COc1cc(C(=O)OCC#N)cc([N-]S(C)(=O)=O)c1OC	ZINC000745538926	667849829	/nfs/dbraw/zinc/84/98/29/667849829.db2.gz	MBOVRUFMCSKDAP-UHFFFAOYSA-N	-1	0	314.319	0.756	20	30		DCEDRM
COc1ncnc(N)c1C=Nn1c(C(F)(F)F)n[n-]c1=S	ZINC000747627546	667907992	/nfs/dbraw/zinc/90/79/92/667907992.db2.gz	JLMHMPALOBIRBN-UHFFFAOYSA-N	-1	0	319.272	0.849	20	30		DCEDRM
Cn1c(=O)c2ccc(C(=O)N(CC#N)CC#N)cc2[n-]c1=S	ZINC000749603683	667958159	/nfs/dbraw/zinc/95/81/59/667958159.db2.gz	LUOZKEKRHDSDNV-UHFFFAOYSA-N	-1	0	313.342	0.712	20	30		DCEDRM
CC[S@](=O)CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000757891539	668150460	/nfs/dbraw/zinc/15/04/60/668150460.db2.gz	NXUVLJKTRXYWFW-IBGZPJMESA-N	-1	0	322.358	0.883	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000759521837	668222710	/nfs/dbraw/zinc/22/27/10/668222710.db2.gz	YSJFMXMJIGDKBV-UHFFFAOYSA-N	-1	0	320.370	0.581	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(C)c(S(N)(=O)=O)c1	ZINC000762066058	668345737	/nfs/dbraw/zinc/34/57/37/668345737.db2.gz	JIUWQNLVSIAKQV-UHFFFAOYSA-N	-1	0	312.347	0.355	20	30		DCEDRM
C#CCN(CC)S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000926501137	668409852	/nfs/dbraw/zinc/40/98/52/668409852.db2.gz	ZKNPCTBXCPNZQX-UHFFFAOYSA-N	-1	0	315.322	0.933	20	30		DCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(F)c1C#N	ZINC000764189520	668437542	/nfs/dbraw/zinc/43/75/42/668437542.db2.gz	WOOBMTUDLQRQSR-MRVPVSSYSA-N	-1	0	300.311	0.792	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@]23CCOC3)CCCC1	ZINC000764795172	668462743	/nfs/dbraw/zinc/46/27/43/668462743.db2.gz	LCTSQNANXJNYGG-FZMZJTMJSA-N	-1	0	312.391	0.943	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc(S(C)(=O)=O)cs1	ZINC000767433143	668573132	/nfs/dbraw/zinc/57/31/32/668573132.db2.gz	QNGDFRCOVCKFEH-VIFPVBQESA-N	-1	0	314.388	0.999	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)N[C@H](COC)[C@H]1CCCO1)C(=O)[O-]	ZINC000929048356	668647744	/nfs/dbraw/zinc/64/77/44/668647744.db2.gz	DMXIPYVLPMZIBJ-QJPTWQEYSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=CCC[C@H](NC(=O)N[C@@H](COC)[C@@H]1CCCO1)C(=O)[O-]	ZINC000929051474	668648184	/nfs/dbraw/zinc/64/81/84/668648184.db2.gz	XVWWPMRFFQHSHR-SRVKXCTJSA-N	-1	0	300.355	0.899	20	30		DCEDRM
O=C([O-])Cn1cc(C=C2CCc3[nH]c(=O)ccc3C2=O)nn1	ZINC000769613806	668655130	/nfs/dbraw/zinc/65/51/30/668655130.db2.gz	FVVKBGGTBSLNBG-YVMONPNESA-N	-1	0	300.274	0.676	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(N(C)C)c(F)c1	ZINC000770098613	668678624	/nfs/dbraw/zinc/67/86/24/668678624.db2.gz	IPQBBQYHJIAUCJ-LLVKDONJSA-N	-1	0	307.325	0.977	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1nccn2c(Br)cnc12	ZINC000770106496	668679112	/nfs/dbraw/zinc/67/91/12/668679112.db2.gz	MMMRWFHVJWAWIY-ZCFIWIBFSA-N	-1	0	322.122	0.560	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1	ZINC000772715041	668781836	/nfs/dbraw/zinc/78/18/36/668781836.db2.gz	CAOUWMRLXBLPMC-NSHDSACASA-N	-1	0	323.374	0.062	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cn1cc(C(N)=O)c2ccccc21	ZINC000772718223	668782266	/nfs/dbraw/zinc/78/22/66/668782266.db2.gz	YZJMMDUGSFPKAU-UHFFFAOYSA-N	-1	0	321.358	0.372	20	30		DCEDRM
COC(=O)Cn1cc(C(C)=NNc2ccc(C(=O)[O-])cc2)nn1	ZINC000772827277	668785779	/nfs/dbraw/zinc/78/57/79/668785779.db2.gz	KMGQTQZTRZZUEE-UHFFFAOYSA-N	-1	0	317.305	0.985	20	30		DCEDRM
C=CCCOCCCCC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000775725617	668867054	/nfs/dbraw/zinc/86/70/54/668867054.db2.gz	JVJKFZZBWASKFO-LBPRGKRZSA-N	-1	0	309.370	0.863	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)s1	ZINC000776116472	668870944	/nfs/dbraw/zinc/87/09/44/668870944.db2.gz	SJPGVYJSDOYJAB-UHFFFAOYSA-N	-1	0	316.360	0.898	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C[C@H]1CSCCS1	ZINC000776122874	668871472	/nfs/dbraw/zinc/87/14/72/668871472.db2.gz	UMLJJNJTESROJO-VIFPVBQESA-N	-1	0	308.450	0.975	20	30		DCEDRM
N#CCCCS(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC000776599519	668878979	/nfs/dbraw/zinc/87/89/79/668878979.db2.gz	HVSSPSINYONIJL-NSHDSACASA-N	-1	0	304.368	0.479	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N(CCO)CCC(=O)[O-]	ZINC000776678809	668879809	/nfs/dbraw/zinc/87/98/09/668879809.db2.gz	JSMJCUAPVGJANR-UHFFFAOYSA-N	-1	0	316.310	0.155	20	30		DCEDRM
N#CCc1cccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1	ZINC000780320257	668979384	/nfs/dbraw/zinc/97/93/84/668979384.db2.gz	XOTDUOCMOFOVEJ-UHFFFAOYSA-N	-1	0	311.301	0.739	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1)OCC	ZINC000780608593	668999545	/nfs/dbraw/zinc/99/95/45/668999545.db2.gz	KMTJXVJZFUSZSV-NWDGAFQWSA-N	-1	0	305.396	0.983	20	30		DCEDRM
C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1cnnn1C)c1ccccc1	ZINC000781743121	669061443	/nfs/dbraw/zinc/06/14/43/669061443.db2.gz	YWWUBKCMILEATL-NSHDSACASA-N	-1	0	320.374	0.980	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)C[C@@H]1CCCO1)cc2=O	ZINC000782921774	669131896	/nfs/dbraw/zinc/13/18/96/669131896.db2.gz	ZAMHTYTTYKOGJM-NSHDSACASA-N	-1	0	302.290	0.919	20	30		DCEDRM
C#CC1(O)CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1	ZINC000931147951	669142937	/nfs/dbraw/zinc/14/29/37/669142937.db2.gz	MWEWXSQWHLXJLE-UHFFFAOYSA-N	-1	0	319.386	0.469	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCC1=O	ZINC000783428169	669157604	/nfs/dbraw/zinc/15/76/04/669157604.db2.gz	IADCBXLGGNKZSU-VHSXEESVSA-N	-1	0	300.380	0.987	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)ccc1F	ZINC000788343294	669432638	/nfs/dbraw/zinc/43/26/38/669432638.db2.gz	KOMUTTQRASISIR-VIFPVBQESA-N	-1	0	307.281	0.720	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1	ZINC000129484178	669471717	/nfs/dbraw/zinc/47/17/17/669471717.db2.gz	UEAZMHUOWLGYTA-NSHDSACASA-N	-1	0	310.331	0.422	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000789788984	669509520	/nfs/dbraw/zinc/50/95/20/669509520.db2.gz	PUQGNBABTGDRKI-UHFFFAOYSA-N	-1	0	319.346	0.158	20	30		DCEDRM
Cn1cnc2c1nccc2C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000805909681	669534520	/nfs/dbraw/zinc/53/45/20/669534520.db2.gz	FJQUGRUGICGQIW-UHFFFAOYSA-N	-1	0	321.362	0.578	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](CCSC)NC(=O)CC	ZINC000810774606	669666151	/nfs/dbraw/zinc/66/61/51/669666151.db2.gz	LAEODDDLQYTLPI-SNVBAGLBSA-N	-1	0	320.436	0.104	20	30		DCEDRM
COC(=O)c1coc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000793193787	669706736	/nfs/dbraw/zinc/70/67/36/669706736.db2.gz	CZFRRACIZWTIPF-UHFFFAOYSA-N	-1	0	312.303	0.430	20	30		DCEDRM
COCC1(C(=O)[O-])CCN(S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000794912611	669867689	/nfs/dbraw/zinc/86/76/89/669867689.db2.gz	LZVHJFUMXKSDLN-UHFFFAOYSA-N	-1	0	316.379	0.433	20	30		DCEDRM
C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000046930535	669924211	/nfs/dbraw/zinc/92/42/11/669924211.db2.gz	FYLOSIHEQNVKTK-KWQFWETISA-N	-1	0	307.335	0.964	20	30		DCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1C	ZINC000048557814	669940452	/nfs/dbraw/zinc/94/04/52/669940452.db2.gz	IWHLCRKVKWCYRO-UHFFFAOYSA-N	-1	0	324.362	0.464	20	30		DCEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2ccnc(C#N)c2)cn1	ZINC000796899779	669947089	/nfs/dbraw/zinc/94/70/89/669947089.db2.gz	DIOMJKOFQRFCFJ-UHFFFAOYSA-N	-1	0	318.314	0.476	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)N2CCC[C@H](NC(=O)c3cn[nH]n3)C2)c1	ZINC000950320128	670002393	/nfs/dbraw/zinc/00/23/93/670002393.db2.gz	PCHQGQUKOUVSAR-JTQLQIEISA-N	-1	0	313.321	0.039	20	30		DCEDRM
Cn1nncc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1	ZINC000798859172	670027543	/nfs/dbraw/zinc/02/75/43/670027543.db2.gz	CHBVBKPCYFVGIV-VIFPVBQESA-N	-1	0	319.271	0.732	20	30		DCEDRM
Cc1[nH]c(C=NNc2nc3[nH][nH]cc-3c(=O)n2)cc1C(=O)[O-]	ZINC000800812840	670100377	/nfs/dbraw/zinc/10/03/77/670100377.db2.gz	MDIVHSSGDTVENA-UHFFFAOYSA-N	-1	0	301.266	0.213	20	30		DCEDRM
Cc1[nH]c(C=NNCC(C)(C)S(C)(=O)=O)cc1C(=O)[O-]	ZINC000800815903	670101472	/nfs/dbraw/zinc/10/14/72/670101472.db2.gz	SEWVHRAHHIFWIG-UHFFFAOYSA-N	-1	0	301.368	0.768	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000803003210	670232558	/nfs/dbraw/zinc/23/25/58/670232558.db2.gz	VTVSZEKYWPEYHW-VXGBXAGGSA-N	-1	0	305.396	0.840	20	30		DCEDRM
C#Cc1cncc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)c1	ZINC000807364669	670360109	/nfs/dbraw/zinc/36/01/09/670360109.db2.gz	XYKHESOCKDHJHW-UHFFFAOYSA-N	-1	0	306.285	0.997	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(Br)cn1C	ZINC000810776573	670497157	/nfs/dbraw/zinc/49/71/57/670497157.db2.gz	YVJPYMJDUGSGSA-UHFFFAOYSA-N	-1	0	319.180	0.871	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2nc(C)n(C)c2c1	ZINC000810776869	670497190	/nfs/dbraw/zinc/49/71/90/670497190.db2.gz	LPSBJLMQNUKVBV-UHFFFAOYSA-N	-1	0	305.359	0.965	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)cn1	ZINC000810780397	670497450	/nfs/dbraw/zinc/49/74/50/670497450.db2.gz	BMFIUSHIVWZGPJ-UHFFFAOYSA-N	-1	0	304.274	0.766	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC000810778920	670497536	/nfs/dbraw/zinc/49/75/36/670497536.db2.gz	RGTXZUISERCXBR-SNVBAGLBSA-N	-1	0	300.380	0.103	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cccn2)cc1	ZINC000810780080	670497549	/nfs/dbraw/zinc/49/75/49/670497549.db2.gz	MOOQWEPKKPSHGS-UHFFFAOYSA-N	-1	0	317.370	0.884	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1ccccc1C(N)=O	ZINC000810780114	670497600	/nfs/dbraw/zinc/49/76/00/670497600.db2.gz	OBYGSVBUQPZRSB-UHFFFAOYSA-N	-1	0	308.359	0.187	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)n1nnnc1C(C)(C)C	ZINC000810784550	670497958	/nfs/dbraw/zinc/49/79/58/670497958.db2.gz	JMZCPENTMDRLPV-SECBINFHSA-N	-1	0	313.383	0.001	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)OCCOCC)CC1	ZINC000810987409	670502160	/nfs/dbraw/zinc/50/21/60/670502160.db2.gz	LISJVSUZIRHHRF-LLVKDONJSA-N	-1	0	305.396	0.983	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc(N(C)C)c(Cl)c1	ZINC000847623906	670583146	/nfs/dbraw/zinc/58/31/46/670583146.db2.gz	PTIYOZOHZDODIQ-SNVBAGLBSA-N	-1	0	324.768	0.886	20	30		DCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000847648620	670585732	/nfs/dbraw/zinc/58/57/32/670585732.db2.gz	VVRPKLMJOYTHKY-SMDDNHRTSA-N	-1	0	322.386	0.972	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1	ZINC000812786676	670595587	/nfs/dbraw/zinc/59/55/87/670595587.db2.gz	OWOGICCLXYRADZ-JSGCOSHPSA-N	-1	0	318.377	0.789	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1	ZINC000812786677	670596054	/nfs/dbraw/zinc/59/60/54/670596054.db2.gz	OWOGICCLXYRADZ-OCCSQVGLSA-N	-1	0	318.377	0.789	20	30		DCEDRM
C#CCN(CC(=O)[N-]OC(C)(C)CO)C(=O)OC(C)(C)C	ZINC000854755025	670624035	/nfs/dbraw/zinc/62/40/35/670624035.db2.gz	SWJMVTVXHRZWHO-UHFFFAOYSA-N	-1	0	300.355	0.675	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1cnn(C)c1C)OCC	ZINC000813951696	670664851	/nfs/dbraw/zinc/66/48/51/670664851.db2.gz	APOXKYMETXLQOR-LLVKDONJSA-N	-1	0	315.395	0.905	20	30		DCEDRM
COC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983350	670668307	/nfs/dbraw/zinc/66/83/07/670668307.db2.gz	RIWBMRMLGQRWPP-NXEZZACHSA-N	-1	0	311.363	0.677	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)[N-]OCCSC	ZINC000814181226	670678783	/nfs/dbraw/zinc/67/87/83/670678783.db2.gz	WGWHXWDTQFHYJX-MNOVXSKESA-N	-1	0	302.396	0.495	20	30		DCEDRM
O=C1[N-]C(=O)C(=NNCc2ccc(C(F)(F)F)cc2)C(=O)N1	ZINC000814218937	670681163	/nfs/dbraw/zinc/68/11/63/670681163.db2.gz	SIIVRTCZRGQDND-UHFFFAOYSA-N	-1	0	314.223	0.517	20	30		DCEDRM
C[C@@H]1CN(c2ccccc2C=Nn2c(=O)[n-][nH]c2=O)CCO1	ZINC000814233085	670682013	/nfs/dbraw/zinc/68/20/13/670682013.db2.gz	ACFROXDBNGAOQJ-SNVBAGLBSA-N	-1	0	303.322	0.797	20	30		DCEDRM
COCCOc1cc2c(cc1C=Nn1c(=O)[n-][nH]c1=O)OCO2	ZINC000814232314	670682221	/nfs/dbraw/zinc/68/22/21/670682221.db2.gz	QOYQYBWYKLRNKR-UHFFFAOYSA-N	-1	0	322.277	0.325	20	30		DCEDRM
CCn1ncn(N=Cc2[nH]nc3cc(C(=O)[O-])ccc23)c1=O	ZINC000814234757	670682462	/nfs/dbraw/zinc/68/24/62/670682462.db2.gz	ULLGWZXQLBLVPT-UHFFFAOYSA-N	-1	0	300.278	0.521	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)[N-]OCCC2CC2)nn1CCC#N	ZINC000815793047	670763224	/nfs/dbraw/zinc/76/32/24/670763224.db2.gz	GFOMUMSRUKVVHP-UHFFFAOYSA-N	-1	0	305.338	0.892	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(C(=O)CC)c1	ZINC000849219286	670765667	/nfs/dbraw/zinc/76/56/67/670765667.db2.gz	OYVAAYSJWPVAHN-UHFFFAOYSA-N	-1	0	309.343	0.988	20	30		DCEDRM
CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)nc1	ZINC000815908792	670771199	/nfs/dbraw/zinc/77/11/99/670771199.db2.gz	JANDWEQYPXILQF-NSHDSACASA-N	-1	0	301.302	0.859	20	30		DCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)[N-]OCCN1CCCC1=O	ZINC000856037761	670778659	/nfs/dbraw/zinc/77/86/59/670778659.db2.gz	OOPHXFSPBKHPQC-GFCCVEGCSA-N	-1	0	317.345	0.996	20	30		DCEDRM
CCn1nc(C)c(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)n1	ZINC000816026104	670780744	/nfs/dbraw/zinc/78/07/44/670780744.db2.gz	KUBQDIYDJRQVQX-UHFFFAOYSA-N	-1	0	311.367	0.360	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1nn(C)cc1Br	ZINC000816056447	670784009	/nfs/dbraw/zinc/78/40/09/670784009.db2.gz	STXMCQRVFPBFSU-UHFFFAOYSA-N	-1	0	320.168	0.266	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000816082664	670784957	/nfs/dbraw/zinc/78/49/57/670784957.db2.gz	LWAJKKLTLTVKNL-LLVKDONJSA-N	-1	0	323.374	0.748	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1	ZINC000816464729	670813953	/nfs/dbraw/zinc/81/39/53/670813953.db2.gz	LHNCZESTQSETOT-LLVKDONJSA-N	-1	0	311.363	0.453	20	30		DCEDRM
N#Cc1cnn(C([O-])=C(C[C@@H]2COCCO2)C(F)(F)F)c1N	ZINC000857039719	670876957	/nfs/dbraw/zinc/87/69/57/670876957.db2.gz	GSSYXBNSFWBGII-RKDXNWHRSA-N	-1	0	318.255	0.961	20	30		DCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccc2c(c1)CCN(C)C2=O	ZINC000850465794	670915899	/nfs/dbraw/zinc/91/58/99/670915899.db2.gz	JOLGSRNAXGEUCJ-UHFFFAOYSA-N	-1	0	303.318	0.487	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc2c1CCN(C)C2=O	ZINC000850478549	670916844	/nfs/dbraw/zinc/91/68/44/670916844.db2.gz	VLLFELJFQSFPHJ-JTQLQIEISA-N	-1	0	317.345	0.876	20	30		DCEDRM
Cn1c(=O)c2ccc(C(=O)N3CC(C#N)C3)cc2[n-]c1=S	ZINC000817558680	670924183	/nfs/dbraw/zinc/92/41/83/670924183.db2.gz	MWKAABUBCIIZPN-UHFFFAOYSA-N	-1	0	300.343	0.818	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)N(C)CCC(=O)[O-])cc1	ZINC000817883762	670950642	/nfs/dbraw/zinc/95/06/42/670950642.db2.gz	UGJUECMGUGTTPK-UHFFFAOYSA-N	-1	0	304.302	0.570	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])cc1	ZINC000817888652	670950855	/nfs/dbraw/zinc/95/08/55/670950855.db2.gz	OAVGICXDRDBKDQ-NSHDSACASA-N	-1	0	318.329	0.816	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C1CCCCC1	ZINC000817897034	670951520	/nfs/dbraw/zinc/95/15/20/670951520.db2.gz	CGAYQKFRJSMTCP-CYBMUJFWSA-N	-1	0	322.361	0.093	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@](C)(OC)C(=O)OC(C)(C)C	ZINC000850913320	670954186	/nfs/dbraw/zinc/95/41/86/670954186.db2.gz	OJYNAVADPDELPC-LBPRGKRZSA-N	-1	0	307.368	0.365	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)ccc1C#N	ZINC000850934049	670955651	/nfs/dbraw/zinc/95/56/51/670955651.db2.gz	OXJIENGEOWYJFR-GFCCVEGCSA-N	-1	0	324.358	0.805	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)ccc1C#N	ZINC000850938297	670955681	/nfs/dbraw/zinc/95/56/81/670955681.db2.gz	YPBBSQPLPJGGAF-LBPRGKRZSA-N	-1	0	324.358	0.805	20	30		DCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)[C@@H]1CCCO1	ZINC000850940571	670956440	/nfs/dbraw/zinc/95/64/40/670956440.db2.gz	PWECMIXMHMTOQP-MNOVXSKESA-N	-1	0	300.380	0.941	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)[C@H]1CCOC1	ZINC000850960814	670957823	/nfs/dbraw/zinc/95/78/23/670957823.db2.gz	MWUXTAZOAXQSBC-WDEREUQCSA-N	-1	0	316.379	0.178	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](CCC(C)C)NC(C)=O	ZINC000850999353	670960251	/nfs/dbraw/zinc/96/02/51/670960251.db2.gz	DBQOTZUILRAXCG-GFCCVEGCSA-N	-1	0	302.396	0.397	20	30		DCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)[C@@H]1CCCO1	ZINC000851040380	670963818	/nfs/dbraw/zinc/96/38/18/670963818.db2.gz	IXJLTRAJOJRSMV-MFKMUULPSA-N	-1	0	323.374	0.963	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851327465	670978165	/nfs/dbraw/zinc/97/81/65/670978165.db2.gz	KJGVYHDNEJHQMH-UHFFFAOYSA-N	-1	0	315.307	0.387	20	30		DCEDRM
C#C[C@H](CCC)NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000858390188	670999026	/nfs/dbraw/zinc/99/90/26/670999026.db2.gz	BQTLWVMDBXDSQV-LLVKDONJSA-N	-1	0	315.333	0.189	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000818624262	671038132	/nfs/dbraw/zinc/03/81/32/671038132.db2.gz	MGNYPAYGYDNJQM-UHFFFAOYSA-N	-1	0	306.384	0.387	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc2cc(OC)ccn21	ZINC000819943746	671148625	/nfs/dbraw/zinc/14/86/25/671148625.db2.gz	HZNYYYNNAKXESV-LLVKDONJSA-N	-1	0	316.317	0.428	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)[C@@H](C#N)C(=O)NC2CC2)c1	ZINC000819943315	671148905	/nfs/dbraw/zinc/14/89/05/671148905.db2.gz	CWSDKGBBCJJNPC-MCMMXHMISA-N	-1	0	320.370	0.790	20	30		DCEDRM
C[C@H](C#N)OCCOC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000859923982	671159730	/nfs/dbraw/zinc/15/97/30/671159730.db2.gz	JMYSBODMTGCLDW-SECBINFHSA-N	-1	0	313.335	0.539	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)C[C@H](COC)OC)OCC	ZINC000853205986	671218792	/nfs/dbraw/zinc/21/87/92/671218792.db2.gz	JLASLPOQBAFEKD-NWDGAFQWSA-N	-1	0	323.411	0.465	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000853205741	671218793	/nfs/dbraw/zinc/21/87/93/671218793.db2.gz	JLBUKXCZGXTQOK-WCQYABFASA-N	-1	0	323.411	0.323	20	30		DCEDRM
Cc1ccc(-c2nn(C)cc2C(=O)[N-]S(=O)(=O)CCC#N)o1	ZINC000860751539	671235051	/nfs/dbraw/zinc/23/50/51/671235051.db2.gz	FKINBDCOBBTQFT-UHFFFAOYSA-N	-1	0	322.346	0.962	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)C2(COC)CC2)nn1	ZINC000821161686	671257734	/nfs/dbraw/zinc/25/77/34/671257734.db2.gz	GPCWWYSWUFMRQH-UHFFFAOYSA-N	-1	0	314.367	0.093	20	30		DCEDRM
Cn1ncc(C(=O)[N-]S(=O)(=O)CCC#N)c1-n1cccc1	ZINC000821582337	671284241	/nfs/dbraw/zinc/28/42/41/671284241.db2.gz	KGGWQFPBNXPRIW-UHFFFAOYSA-N	-1	0	307.335	0.184	20	30		DCEDRM
CCCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821582624	671284387	/nfs/dbraw/zinc/28/43/87/671284387.db2.gz	SFEQRLZCDPQTRT-JTQLQIEISA-N	-1	0	301.368	0.137	20	30		DCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1c[nH]c(-c2nn[nH]n2)c1	ZINC000825276075	671454842	/nfs/dbraw/zinc/45/48/42/671454842.db2.gz	OJTNIGZEWJNXKB-JTQLQIEISA-N	-1	0	315.337	0.824	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000831007984	671650164	/nfs/dbraw/zinc/65/01/64/671650164.db2.gz	QBGWWXGNYSQVIM-PWSUYJOCSA-N	-1	0	317.349	0.918	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CC[C@H]1CCCO1	ZINC000831091974	671652977	/nfs/dbraw/zinc/65/29/77/671652977.db2.gz	OJBCXJATZGVVGZ-WDEREUQCSA-N	-1	0	317.367	0.073	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)CC1(C#N)CCCCC1	ZINC000834324992	671754665	/nfs/dbraw/zinc/75/46/65/671754665.db2.gz	QCCPLNULPWFPNZ-UHFFFAOYSA-N	-1	0	315.395	0.433	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)C(=O)[N-]OCCC)cc1	ZINC000834347136	671756112	/nfs/dbraw/zinc/75/61/12/671756112.db2.gz	DYHDYOOHTHIVNB-UHFFFAOYSA-N	-1	0	305.334	0.999	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1OC	ZINC000835302889	671793172	/nfs/dbraw/zinc/79/31/72/671793172.db2.gz	NEEBBBPHOWKPII-LLVKDONJSA-N	-1	0	311.359	0.680	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCc1scnc1C	ZINC000835415234	671795838	/nfs/dbraw/zinc/79/58/38/671795838.db2.gz	CSMOYTLYQMIKII-JTQLQIEISA-N	-1	0	316.404	0.478	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)CCOC(C)(C)C	ZINC000835915462	671809120	/nfs/dbraw/zinc/80/91/20/671809120.db2.gz	GIQQJWGEMQMPQZ-UHFFFAOYSA-N	-1	0	313.379	0.771	20	30		DCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cn(C)c(Cl)n1	ZINC000837291936	671854882	/nfs/dbraw/zinc/85/48/82/671854882.db2.gz	MNRBCIDRXXEXSF-ZETCQYMHSA-N	-1	0	307.759	0.771	20	30		DCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cnn(CC2CC2)c1	ZINC000837291908	671855105	/nfs/dbraw/zinc/85/51/05/671855105.db2.gz	LYOBJDCICPUYDC-NSHDSACASA-N	-1	0	313.379	0.991	20	30		DCEDRM
CCCN1C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC1=O	ZINC000842329840	672005690	/nfs/dbraw/zinc/00/56/90/672005690.db2.gz	PKLLNFFEARSJQQ-SNVBAGLBSA-N	-1	0	315.395	0.241	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000842358664	672008554	/nfs/dbraw/zinc/00/85/54/672008554.db2.gz	VPQVMPIGQIELBE-UHFFFAOYSA-N	-1	0	309.343	0.220	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn2c1C[C@@H](C)CC2	ZINC000842682090	672028052	/nfs/dbraw/zinc/02/80/52/672028052.db2.gz	ZAIJZRZHJMQATJ-NWDGAFQWSA-N	-1	0	318.377	0.941	20	30		DCEDRM
C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)C[C@H]1C(=O)[O-]	ZINC000843037931	672055237	/nfs/dbraw/zinc/05/52/37/672055237.db2.gz	ZFLPNKZSOUHDJL-JOYOIKCWSA-N	-1	0	323.374	0.753	20	30		DCEDRM
CC(C)CN(C)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844813766	672204631	/nfs/dbraw/zinc/20/46/31/672204631.db2.gz	AVBOEQOHDXTENV-UHFFFAOYSA-N	-1	0	302.396	0.619	20	30		DCEDRM
COc1ccc(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)cn1	ZINC000844817611	672204744	/nfs/dbraw/zinc/20/47/44/672204744.db2.gz	UEPUUGOOLICKMM-UHFFFAOYSA-N	-1	0	324.358	0.579	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1	ZINC000844820523	672205054	/nfs/dbraw/zinc/20/50/54/672205054.db2.gz	ZYZINRZSFPGYLT-GFCCVEGCSA-N	-1	0	301.364	0.153	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000846002648	672287759	/nfs/dbraw/zinc/28/77/59/672287759.db2.gz	SGNXMCNECMUAAU-UHFFFAOYSA-N	-1	0	317.754	0.558	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(CNC(C)=O)cc1	ZINC000846149752	672297458	/nfs/dbraw/zinc/29/74/58/672297458.db2.gz	RFMHLXBNYKVPQN-UHFFFAOYSA-N	-1	0	305.334	0.885	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OCCOC)nc1	ZINC000846150574	672297529	/nfs/dbraw/zinc/29/75/29/672297529.db2.gz	IUMVMJNFFFXYLO-UHFFFAOYSA-N	-1	0	309.322	0.669	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(C(=O)N(C)C)c1	ZINC000846152404	672297817	/nfs/dbraw/zinc/29/78/17/672297817.db2.gz	TVHPYJAZISOSHZ-JTQLQIEISA-N	-1	0	305.334	0.949	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(C(=O)N(C)OC)cc1	ZINC000846152841	672297966	/nfs/dbraw/zinc/29/79/66/672297966.db2.gz	DOIHVUCEYQFVSC-SNVBAGLBSA-N	-1	0	321.333	0.881	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(N2CCC2=O)c1	ZINC000846157737	672298311	/nfs/dbraw/zinc/29/83/11/672298311.db2.gz	WNCXSKDUNHKYET-SNVBAGLBSA-N	-1	0	303.318	0.984	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(N2CCOCC2)c(F)c1	ZINC000739086855	685326682	/nfs/dbraw/zinc/32/66/82/685326682.db2.gz	IZVIDHQDDMDPLR-UHFFFAOYSA-N	-1	0	321.308	0.713	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCCn2ccccc2=O)CC1	ZINC000793196293	685343772	/nfs/dbraw/zinc/34/37/72/685343772.db2.gz	HYRHTWZSRWUBBP-UHFFFAOYSA-N	-1	0	323.374	0.378	20	30		DCEDRM
Cn1ncc2c1C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)CC2	ZINC000798847545	685347549	/nfs/dbraw/zinc/34/75/49/685347549.db2.gz	MFUPTWQRGAQLRM-SNVBAGLBSA-N	-1	0	310.379	0.275	20	30		DCEDRM
Cn1ncc2c1C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)CC2	ZINC000798847544	685347906	/nfs/dbraw/zinc/34/79/06/685347906.db2.gz	MFUPTWQRGAQLRM-JTQLQIEISA-N	-1	0	310.379	0.275	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC	ZINC000841540512	685365478	/nfs/dbraw/zinc/36/54/78/685365478.db2.gz	MBOJSTYPHJXNKX-GFCCVEGCSA-N	-1	0	312.391	0.945	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000092479996	685108274	/nfs/dbraw/zinc/10/82/74/685108274.db2.gz	UNOXCOUWOSMWDE-UHFFFAOYSA-N	-1	0	312.303	0.612	20	30		DCEDRM
N#CCOc1cc(F)ccc1NC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000119681844	685117263	/nfs/dbraw/zinc/11/72/63/685117263.db2.gz	BMLOOCUJBBXJHX-UHFFFAOYSA-N	-1	0	306.257	0.461	20	30		DCEDRM
C=C(Cl)CN1C[C@H](O)[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000957974705	687283536	/nfs/dbraw/zinc/28/35/36/687283536.db2.gz	HURFUCFUTPBTPH-UWVGGRQHSA-N	-1	0	314.773	0.199	20	30		DCEDRM
O=C(C#CC1CC1)N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001039579708	694388008	/nfs/dbraw/zinc/38/80/08/694388008.db2.gz	SEDRLTWAJBIERY-BETUJISGSA-N	-1	0	315.377	0.489	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)c1[O-]	ZINC001012582708	691819957	/nfs/dbraw/zinc/81/99/57/691819957.db2.gz	SRYUAVJSTFYFIE-SKDRFNHKSA-N	-1	0	316.361	0.556	20	30		DCEDRM
C=CCCN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21	ZINC001074219065	694843045	/nfs/dbraw/zinc/84/30/45/694843045.db2.gz	JZGXSYHSXBZAOZ-QWHCGFSZSA-N	-1	0	320.393	0.915	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N(C)[C@H]2CCN(C)C2=O)cc1C#N	ZINC001771704739	1157926072	/nfs/dbraw/zinc/92/60/72/1157926072.db2.gz	IOICVADIMJWQIQ-JTQLQIEISA-N	-1	0	320.374	0.683	20	30		DCEDRM
CC1(C#N)CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001446804977	1159548019	/nfs/dbraw/zinc/54/80/19/1159548019.db2.gz	ZTALJELELKHPQF-UHFFFAOYSA-N	-1	0	315.333	0.363	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)OCC	ZINC001609320500	1159815757	/nfs/dbraw/zinc/81/57/57/1159815757.db2.gz	OISJOWVCFJWPDW-SNVBAGLBSA-N	-1	0	319.379	0.669	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCSC[C@@H](C(=O)[O-])C2)CC1	ZINC001610620646	1159838634	/nfs/dbraw/zinc/83/86/34/1159838634.db2.gz	KWBWSVNNOZVFIL-JTQLQIEISA-N	-1	0	318.420	0.760	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCN(CC#N)C1	ZINC001566681426	1160129024	/nfs/dbraw/zinc/12/90/24/1160129024.db2.gz	BJTCMPWSAAJHDW-QMMMGPOBSA-N	-1	0	306.288	0.158	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001569919139	1161314581	/nfs/dbraw/zinc/31/45/81/1161314581.db2.gz	HIXSNRIWCAWZLP-QWHCGFSZSA-N	-1	0	317.393	0.593	20	30		DCEDRM
C=CCn1cccc1C(=O)N[C@H](CC)CNC(=O)CNC(=O)[O-]	ZINC001573378732	1163419669	/nfs/dbraw/zinc/41/96/69/1163419669.db2.gz	KNMFTDNQGGWKRX-LLVKDONJSA-N	-1	0	322.365	0.566	20	30		DCEDRM
CC#CCCCC(=O)NC[C@@H]1CC[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573384655	1163420623	/nfs/dbraw/zinc/42/06/23/1163420623.db2.gz	OFQKMDFUAKDIIX-OLZOCXBDSA-N	-1	0	323.393	0.849	20	30		DCEDRM
C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1nc(C(=O)[O-])n[nH]1	ZINC001573562542	1163502999	/nfs/dbraw/zinc/50/29/99/1163502999.db2.gz	NFACLKXBUKTQLV-MRVPVSSYSA-N	-1	0	315.289	0.631	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)c1	ZINC001574127539	1163643537	/nfs/dbraw/zinc/64/35/37/1163643537.db2.gz	MUHRZUCREPGUDI-DGCLKSJQSA-N	-1	0	318.333	0.959	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)s1	ZINC001574245270	1163672100	/nfs/dbraw/zinc/67/21/00/1163672100.db2.gz	JQJLDNAENIVBRS-NWDGAFQWSA-N	-1	0	317.326	0.931	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)NC2(CC(=O)[O-])COC2)ccc1F	ZINC001574245617	1163673130	/nfs/dbraw/zinc/67/31/30/1163673130.db2.gz	TUFVHVAVZYVZJV-UHFFFAOYSA-N	-1	0	314.294	0.219	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NC[C@]2(C(=O)[O-])CCCOC2)nc1	ZINC001574249989	1163674652	/nfs/dbraw/zinc/67/46/52/1163674652.db2.gz	QBNHAGIPINNONA-OAHLLOKOSA-N	-1	0	318.333	0.363	20	30		DCEDRM
N#Cc1cccc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)c1	ZINC001574249044	1163675090	/nfs/dbraw/zinc/67/50/90/1163675090.db2.gz	FDAZIKLOHQKWAG-JQWIXIFHSA-N	-1	0	304.306	0.650	20	30		DCEDRM
N#C[C@H]1CNC[C@H]1[N-]S(=O)(=O)c1occc1Br	ZINC001580044898	1165484003	/nfs/dbraw/zinc/48/40/03/1165484003.db2.gz	LVJCPJZEUGODKW-POYBYMJQSA-N	-1	0	320.168	0.432	20	30		DCEDRM
C[S@](=O)[C@H]1CC[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001580172139	1165528189	/nfs/dbraw/zinc/52/81/89/1165528189.db2.gz	MFZGNGWVCKLYFL-BORLJHCYSA-N	-1	0	318.366	0.240	20	30		DCEDRM
C=CCN1C(=O)C(=O)N(CC(=O)[N-]Oc2ccc(F)cc2)C1=O	ZINC001584003696	1166299200	/nfs/dbraw/zinc/29/92/00/1166299200.db2.gz	BRVFQYVWPZVBIQ-UHFFFAOYSA-N	-1	0	321.264	0.213	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1	ZINC001588335276	1166532957	/nfs/dbraw/zinc/53/29/57/1166532957.db2.gz	GMGWIZZBTSNDHJ-QWRGUYRKSA-N	-1	0	314.353	0.281	20	30		DCEDRM
C#CCCCS(=O)(=O)[N-]c1nn(C)c(C)c1-c1nn[nH]n1	ZINC001588345731	1166535156	/nfs/dbraw/zinc/53/51/56/1166535156.db2.gz	PNILFYHQYMOQBQ-UHFFFAOYSA-N	-1	0	309.355	0.064	20	30		DCEDRM
C=CCCCN(CC)C(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001588601296	1166566982	/nfs/dbraw/zinc/56/69/82/1166566982.db2.gz	JEDUVCRRLJNCEO-UHFFFAOYSA-N	-1	0	319.373	0.456	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001588611929	1166571381	/nfs/dbraw/zinc/57/13/81/1166571381.db2.gz	ZQRWHXIXMDNODI-ZETCQYMHSA-N	-1	0	302.298	0.381	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1cccc(C)c1-c1nn[nH]n1	ZINC001588730594	1166581357	/nfs/dbraw/zinc/58/13/57/1166581357.db2.gz	JHWCKUDZSSNFCO-SECBINFHSA-N	-1	0	309.351	0.000	20	30		DCEDRM
C[C@@H](C(=O)OCc1ccc(C#N)cc1)n1cnc(-c2nnn[n-]2)n1	ZINC001589031220	1166631571	/nfs/dbraw/zinc/63/15/71/1166631571.db2.gz	WAHFWRFNNAECHP-VIFPVBQESA-N	-1	0	324.304	0.634	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001590680921	1166972884	/nfs/dbraw/zinc/97/28/84/1166972884.db2.gz	MOZKKOZPODTEFO-MRVPVSSYSA-N	-1	0	310.339	0.630	20	30		DCEDRM
CCOC(=O)C[C@H](C)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590761261	1167011045	/nfs/dbraw/zinc/01/10/45/1167011045.db2.gz	VBXOFCDZMWLCAN-ZETCQYMHSA-N	-1	0	302.298	0.282	20	30		DCEDRM
COC1CCC(Nc2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001591350450	1167227147	/nfs/dbraw/zinc/22/71/47/1167227147.db2.gz	GPPIDLHHFCECRK-UHFFFAOYSA-N	-1	0	300.326	0.898	20	30		DCEDRM
Cc1ccc2nc(Cn3cnc(-c4nnn[n-]4)c3C#N)cn2c1	ZINC001592208238	1167474903	/nfs/dbraw/zinc/47/49/03/1167474903.db2.gz	VWVLVKNWAZVGAR-UHFFFAOYSA-N	-1	0	305.305	0.939	20	30		DCEDRM
Cc1cnccc1CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001592300757	1167485436	/nfs/dbraw/zinc/48/54/36/1167485436.db2.gz	DYXCEXKLHAHIIN-UHFFFAOYSA-N	-1	0	309.293	0.346	20	30		DCEDRM
N#CCCCCNS(=O)(=O)c1ccsc1-c1nnn[n-]1	ZINC001592676190	1167597082	/nfs/dbraw/zinc/59/70/82/1167597082.db2.gz	FAZHCKVCGTVSFE-UHFFFAOYSA-N	-1	0	312.380	0.900	20	30		DCEDRM
N#Cc1nc(NC(=O)C#Cc2ccccc2)[n-]c1-c1nn[nH]n1	ZINC001592681134	1167598286	/nfs/dbraw/zinc/59/82/86/1167598286.db2.gz	JEOQRCSSOKABEP-UHFFFAOYSA-N	-1	0	304.273	0.452	20	30		DCEDRM
N#Cc1ncc(N2CCC3(C2)CCOCC3)nc1-c1nnn[n-]1	ZINC001592708272	1167606626	/nfs/dbraw/zinc/60/66/26/1167606626.db2.gz	FMFZVZLRYKDFRR-UHFFFAOYSA-N	-1	0	312.337	0.535	20	30		DCEDRM
N#Cc1ncc(N2CC[C@H]([C@@H]3CCOC3)C2)nc1-c1nnn[n-]1	ZINC001592708383	1167607774	/nfs/dbraw/zinc/60/77/74/1167607774.db2.gz	NLXPXDBFDGDPIQ-VHSXEESVSA-N	-1	0	312.337	0.391	20	30		DCEDRM
N#Cc1ncc(NCCc2cccc(O)c2)nc1-c1nnn[n-]1	ZINC001592710704	1167609396	/nfs/dbraw/zinc/60/93/96/1167609396.db2.gz	VVMYWASWEZPSBO-UHFFFAOYSA-N	-1	0	308.305	0.889	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H](C(=O)[O-])C1	ZINC001598794166	1168036194	/nfs/dbraw/zinc/03/61/94/1168036194.db2.gz	AYIGBNCFNBSUSX-MWLCHTKSSA-N	-1	0	305.290	0.365	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)ncc1C#N	ZINC001600243986	1168145460	/nfs/dbraw/zinc/14/54/60/1168145460.db2.gz	NJHHIADSLDLTEV-UHFFFAOYSA-N	-1	0	314.301	0.276	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001600328068	1168165463	/nfs/dbraw/zinc/16/54/63/1168165463.db2.gz	LFOMISNZOVBWJN-PWSUYJOCSA-N	-1	0	324.358	0.729	20	30		DCEDRM
Cc1ccc(CS(=O)(=O)N(CC#N)CC(=O)[O-])cc1F	ZINC001600421542	1168181902	/nfs/dbraw/zinc/18/19/02/1168181902.db2.gz	BBZMBLJFSYXPRG-UHFFFAOYSA-N	-1	0	300.311	0.874	20	30		DCEDRM
Cc1cccc(N(CC(=O)[O-])C(=O)[C@H](C)n2cnc(C#N)n2)n1	ZINC001600537848	1168196850	/nfs/dbraw/zinc/19/68/50/1168196850.db2.gz	RCJOXDNKCDJUCK-JTQLQIEISA-N	-1	0	314.305	0.532	20	30		DCEDRM
Cc1cccc(NC(=O)NCC(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001600540268	1168198305	/nfs/dbraw/zinc/19/83/05/1168198305.db2.gz	ACYZMSDHXZFQKP-UHFFFAOYSA-N	-1	0	318.333	0.943	20	30		DCEDRM
Cc1nc2ccccc2c(=O)n1CC(=O)N(CC#N)CC(=O)[O-]	ZINC001600728343	1168264403	/nfs/dbraw/zinc/26/44/03/1168264403.db2.gz	MEXSTDXEZMLZGG-UHFFFAOYSA-N	-1	0	314.301	0.142	20	30		DCEDRM
Cn1c(CC#N)nn(CN2CCO[C@H](CC(=O)[O-])C2)c1=S	ZINC001600911550	1168506694	/nfs/dbraw/zinc/50/66/94/1168506694.db2.gz	ICFNZIKBLSYACB-SECBINFHSA-N	-1	0	311.367	0.150	20	30		DCEDRM
Cn1ccc([C@@H](NC(=O)c2ccccc2OCC#N)C(=O)[O-])n1	ZINC001600973320	1168540158	/nfs/dbraw/zinc/54/01/58/1168540158.db2.gz	MCJAKRJQKBQTAN-CYBMUJFWSA-N	-1	0	314.301	0.878	20	30		DCEDRM
Cn1nc(NC(=O)NCC#C[C@H]2CCCCO2)cc1C(=O)[O-]	ZINC001601016156	1168564723	/nfs/dbraw/zinc/56/47/23/1168564723.db2.gz	PCWMKRKEUHMYAY-SNVBAGLBSA-N	-1	0	306.322	0.812	20	30		DCEDRM
Cn1ncc(C(=O)[O-])c1NC(=O)Nc1ccn(CCC#N)n1	ZINC001601024724	1168569350	/nfs/dbraw/zinc/56/93/50/1168569350.db2.gz	BCDVJAMRSZXVJK-UHFFFAOYSA-N	-1	0	303.282	0.872	20	30		DCEDRM
N#CC1(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CCCCC1	ZINC001601056587	1168578518	/nfs/dbraw/zinc/57/85/18/1168578518.db2.gz	QBSKESLHGLIXQE-NEPJUHHUSA-N	-1	0	309.366	0.937	20	30		DCEDRM
N#CC[C@H](CC(=O)OCC(=O)NCC(=O)[O-])c1ccccc1	ZINC001601061854	1168578826	/nfs/dbraw/zinc/57/88/26/1168578826.db2.gz	IDARSNMPRKOTEE-GFCCVEGCSA-N	-1	0	304.302	0.818	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)C1	ZINC001601057796	1168578975	/nfs/dbraw/zinc/57/89/75/1168578975.db2.gz	FJVOGLSJXZZHEI-HNNXBMFYSA-N	-1	0	319.292	0.716	20	30		DCEDRM
N#CC[C@H](N1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O)C(F)(F)F	ZINC001601061289	1168579304	/nfs/dbraw/zinc/57/93/04/1168579304.db2.gz	CAZPVPQJAVDOQL-CSMHCCOUSA-N	-1	0	319.239	0.958	20	30		DCEDRM
N#CC[C@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])c1ccccc1	ZINC001601060682	1168579426	/nfs/dbraw/zinc/57/94/26/1168579426.db2.gz	LJROEBCAWPYOPC-QWHCGFSZSA-N	-1	0	313.317	0.545	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1	ZINC001601062587	1168579667	/nfs/dbraw/zinc/57/96/67/1168579667.db2.gz	KRVSRJUARRRXOL-LLVKDONJSA-N	-1	0	316.379	0.168	20	30		DCEDRM
N#C[C@H]1CSCCN1S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001601063691	1168579971	/nfs/dbraw/zinc/57/99/71/1168579971.db2.gz	WVOHBXOXERUULI-VIFPVBQESA-N	-1	0	313.360	0.409	20	30		DCEDRM
N#CCCCCS(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001601066028	1168580654	/nfs/dbraw/zinc/58/06/54/1168580654.db2.gz	YMMRGALZJCLHOP-GHMZBOCLSA-N	-1	0	304.368	0.337	20	30		DCEDRM
N#CCCN1CCN(S(=O)(=O)c2occc2C(=O)[O-])CC1	ZINC001601068357	1168580702	/nfs/dbraw/zinc/58/07/02/1168580702.db2.gz	VCUBSEULIIJWAL-UHFFFAOYSA-N	-1	0	313.335	0.198	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC001601070230	1168581296	/nfs/dbraw/zinc/58/12/96/1168581296.db2.gz	LDTQTQHXDUWKCH-GFCCVEGCSA-N	-1	0	315.329	0.866	20	30		DCEDRM
N#CCOc1ccc(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001601073775	1168581578	/nfs/dbraw/zinc/58/15/78/1168581578.db2.gz	ABTTWNOYXGOSKN-CMPLNLGQSA-N	-1	0	319.317	0.888	20	30		DCEDRM
N#CCNCCCOC1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001601074717	1168582336	/nfs/dbraw/zinc/58/23/36/1168582336.db2.gz	OEYAGWZEGGEAGP-QWHCGFSZSA-N	-1	0	309.366	0.218	20	30		DCEDRM
N#Cc1c(CN2CCSC[C@H]2C(N)=O)cccc1C(=O)[O-]	ZINC001601081610	1168582933	/nfs/dbraw/zinc/58/29/33/1168582933.db2.gz	JCWBWFVOYHBWKY-LBPRGKRZSA-N	-1	0	305.359	0.659	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001601081971	1168582955	/nfs/dbraw/zinc/58/29/55/1168582955.db2.gz	CXSYQSKVCDPAEA-NSHDSACASA-N	-1	0	308.265	0.643	20	30		DCEDRM
N#CCn1cc(NC(=O)C(=O)NC2(CC(=O)[O-])CCCC2)cn1	ZINC001601079172	1168583124	/nfs/dbraw/zinc/58/31/24/1168583124.db2.gz	QMGMGPAIEDMMFI-UHFFFAOYSA-N	-1	0	319.321	0.249	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CC(=O)N2CCCCCC2)c1=O	ZINC001601086191	1168583405	/nfs/dbraw/zinc/58/34/05/1168583405.db2.gz	BVARVMAFZSSBOY-UHFFFAOYSA-N	-1	0	303.318	0.821	20	30		DCEDRM
N#Cc1cc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c[nH]1	ZINC001601085026	1168583723	/nfs/dbraw/zinc/58/37/23/1168583723.db2.gz	RVLNPEIPSJMVKD-JTQLQIEISA-N	-1	0	300.278	0.263	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1O	ZINC001601092963	1168583837	/nfs/dbraw/zinc/58/38/37/1168583837.db2.gz	DOOZFTWOQBXHHJ-NSHDSACASA-N	-1	0	300.274	0.413	20	30		DCEDRM
N#Cc1cc(N2CCC[C@H]2C(=O)NCC(=O)[O-])nc(C2CC2)n1	ZINC001601090300	1168583846	/nfs/dbraw/zinc/58/38/46/1168583846.db2.gz	SXBZOOKASZAJEN-NSHDSACASA-N	-1	0	315.333	0.395	20	30		DCEDRM
N#Cc1ccc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1	ZINC001601094120	1168584171	/nfs/dbraw/zinc/58/41/71/1168584171.db2.gz	NPSDUDKFAQCTKC-XHDPSFHLSA-N	-1	0	301.302	0.517	20	30		DCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c1	ZINC001601089782	1168584183	/nfs/dbraw/zinc/58/41/83/1168584183.db2.gz	SPXGLHXCBNCOQC-ONGXEEELSA-N	-1	0	316.285	0.883	20	30		DCEDRM
N#Cc1ccc(CCNS(=O)(=O)CC2(C(=O)[O-])CC2)cc1	ZINC001601098412	1168584893	/nfs/dbraw/zinc/58/48/93/1168584893.db2.gz	WIPQDKSVVSPEQX-UHFFFAOYSA-N	-1	0	308.359	0.885	20	30		DCEDRM
N#Cc1ccc(CCNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC001601098512	1168584913	/nfs/dbraw/zinc/58/49/13/1168584913.db2.gz	ZZSBKKPITLZCAE-ZIAGYGMSSA-N	-1	0	317.345	0.890	20	30		DCEDRM
N#Cc1ccc(CC(=O)N[C@H](CCC2OCCO2)C(=O)[O-])cn1	ZINC001601098724	1168584924	/nfs/dbraw/zinc/58/49/24/1168584924.db2.gz	XNTOGLCVIFMPJM-GFCCVEGCSA-N	-1	0	319.317	0.218	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)s1	ZINC001601101247	1168585266	/nfs/dbraw/zinc/58/52/66/1168585266.db2.gz	FJMNKSSDZBYTPS-GFCCVEGCSA-N	-1	0	323.374	0.987	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CN2CCSC[C@@H]2C(=O)[O-])cc1	ZINC001601100478	1168585754	/nfs/dbraw/zinc/58/57/54/1168585754.db2.gz	NDWDZSVPEFRLOB-CYBMUJFWSA-N	-1	0	319.386	0.676	20	30		DCEDRM
N#Cc1ccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)cc1F	ZINC001601106851	1168586411	/nfs/dbraw/zinc/58/64/11/1168586411.db2.gz	HDWNCMLMRMEBFX-NSHDSACASA-N	-1	0	319.292	0.959	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N(CCO)C2CCC2)c(C(=O)[O-])c1	ZINC001601111276	1168586764	/nfs/dbraw/zinc/58/67/64/1168586764.db2.gz	WNZXMUWDTQYNOA-UHFFFAOYSA-N	-1	0	324.358	0.792	20	30		DCEDRM
N#Cc1cccc(NC(=O)CN2CCC[C@H](O)[C@H]2C(=O)[O-])c1	ZINC001601120889	1168587287	/nfs/dbraw/zinc/58/72/87/1168587287.db2.gz	RCAUUVIARXCMHI-JSGCOSHPSA-N	-1	0	303.318	0.407	20	30		DCEDRM
N#Cc1cccc(NC(=O)CN2CCC([C@@H](O)C(=O)[O-])CC2)c1	ZINC001601120915	1168587638	/nfs/dbraw/zinc/58/76/38/1168587638.db2.gz	SJKKSRGGGFEDAD-OAHLLOKOSA-N	-1	0	317.345	0.654	20	30		DCEDRM
N#Cc1cccc(CNC(=O)Cn2nc(C(=O)[O-])ccc2=O)c1	ZINC001601122987	1168588286	/nfs/dbraw/zinc/58/82/86/1168588286.db2.gz	LFIQOFOSYXERCD-UHFFFAOYSA-N	-1	0	312.285	0.130	20	30		DCEDRM
N#Cc1ccnc(N2CCN(c3ncncc3C(=O)[O-])CC2)c1	ZINC001601127238	1168589979	/nfs/dbraw/zinc/58/99/79/1168589979.db2.gz	GSXPKJKYYBYCBE-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1cncc(CNS(=O)(=O)c2cccnc2C(=O)[O-])c1	ZINC001601130468	1168590660	/nfs/dbraw/zinc/59/06/60/1168590660.db2.gz	HSSRPOYETDPOER-UHFFFAOYSA-N	-1	0	318.314	0.525	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001601133096	1168593004	/nfs/dbraw/zinc/59/30/04/1168593004.db2.gz	LNQKZXVESOIFKO-WDEREUQCSA-N	-1	0	302.334	0.927	20	30		DCEDRM
O=C([O-])[C@@H]1CCc2sc(NC(=O)NCC#CCO)nc2C1	ZINC001601446444	1168749800	/nfs/dbraw/zinc/74/98/00/1168749800.db2.gz	NGXLQBRHIRRSAN-MRVPVSSYSA-N	-1	0	309.347	0.450	20	30		DCEDRM
O=C([O-])c1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)no1	ZINC001602631757	1169135587	/nfs/dbraw/zinc/13/55/87/1169135587.db2.gz	OEISSFNRMNPRPZ-UHFFFAOYSA-N	-1	0	306.274	0.851	20	30		DCEDRM
O=C([O-])C1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC001602631188	1169136116	/nfs/dbraw/zinc/13/61/16/1169136116.db2.gz	IVYRINMHQLQGNR-BUHFOSPRSA-N	-1	0	321.333	0.226	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)[C@@H]1CCCO1	ZINC001602679595	1169157122	/nfs/dbraw/zinc/15/71/22/1169157122.db2.gz	YZZFPICELIPWFE-IUCAKERBSA-N	-1	0	315.372	0.905	20	30		DCEDRM
C#CC[C@@H](NC(=O)C1(S(=O)(=O)c2ccccc2)CC1)C(=O)[O-]	ZINC001602685263	1169158876	/nfs/dbraw/zinc/15/88/76/1169158876.db2.gz	PXVBYOVXAAAGHW-GFCCVEGCSA-N	-1	0	321.354	0.586	20	30		DCEDRM
C#CC1(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CCCC1	ZINC001602691439	1169162940	/nfs/dbraw/zinc/16/29/40/1169162940.db2.gz	XXCDGLLFNPMQNJ-VIFPVBQESA-N	-1	0	300.326	0.081	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(F)c1-c1nn[nH]n1	ZINC001602713991	1169168013	/nfs/dbraw/zinc/16/80/13/1169168013.db2.gz	FMSWUFJHIZBVRP-UHFFFAOYSA-N	-1	0	323.309	0.089	20	30		DCEDRM
C#CCNC(=O)CN[C@H](Cc1cc2ccccc2o1)C(=O)[O-]	ZINC001602724558	1169172578	/nfs/dbraw/zinc/17/25/78/1169172578.db2.gz	BOWPOXRTGABQOR-CYBMUJFWSA-N	-1	0	300.314	0.768	20	30		DCEDRM
C#CCO[N-]C(=O)C(C)(C)c1cc(F)cc(-c2nn[nH]n2)c1	ZINC001602732025	1169175108	/nfs/dbraw/zinc/17/51/08/1169175108.db2.gz	MCCJETVZBVNKLE-UHFFFAOYSA-N	-1	0	303.297	0.964	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)OC)nc1	ZINC001602739864	1169176091	/nfs/dbraw/zinc/17/60/91/1169176091.db2.gz	PLKJWETVAUPEJM-WCQYABFASA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])c1	ZINC001602742083	1169176184	/nfs/dbraw/zinc/17/61/84/1169176184.db2.gz	CVCGRPVNLXTTHN-AWEZNQCLSA-N	-1	0	314.341	0.750	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)OC)CC[C@H]2C(=O)[O-])nc1	ZINC001602740135	1169176748	/nfs/dbraw/zinc/17/67/48/1169176748.db2.gz	XUVPLRXECDKUMS-YPMHNXCESA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1cc(C)n(NC(N)=O)c1C)C(=O)[O-]	ZINC001602749801	1169177295	/nfs/dbraw/zinc/17/72/95/1169177295.db2.gz	YUZAOWKLGDQKKE-NSHDSACASA-N	-1	0	308.338	0.876	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001602747634	1169177758	/nfs/dbraw/zinc/17/77/58/1169177758.db2.gz	XQSHJGDZDVWMLV-OLZOCXBDSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1	ZINC001602745040	1169177894	/nfs/dbraw/zinc/17/78/94/1169177894.db2.gz	ZEGJXGULYLFZEO-SNVBAGLBSA-N	-1	0	322.365	0.088	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC001602755167	1169179876	/nfs/dbraw/zinc/17/98/76/1169179876.db2.gz	JIHRVGUNCMMCRJ-IUCAKERBSA-N	-1	0	310.272	0.979	20	30		DCEDRM
C=C(C)Cn1c([C@@H](C)CO)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001602766127	1169180587	/nfs/dbraw/zinc/18/05/87/1169180587.db2.gz	VRDVZNCPMXJIAC-IINYFYTJSA-N	-1	0	312.345	0.953	20	30		DCEDRM
C=C(C)COCCNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001602763539	1169181651	/nfs/dbraw/zinc/18/16/51/1169181651.db2.gz	QXZXZDSWRQEPOE-UHFFFAOYSA-N	-1	0	303.322	0.895	20	30		DCEDRM
C=C(C)Cn1c([C@H](C)CO)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001602766128	1169181724	/nfs/dbraw/zinc/18/17/24/1169181724.db2.gz	VRDVZNCPMXJIAC-QMTHXVAHSA-N	-1	0	312.345	0.953	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001602806124	1169186091	/nfs/dbraw/zinc/18/60/91/1169186091.db2.gz	RXPOFMFOOCZGCE-VXGBXAGGSA-N	-1	0	308.378	0.980	20	30		DCEDRM
C=C[C@H](C(=O)[O-])n1cc(CNC(=O)OCC(F)(F)F)nn1	ZINC001602806039	1169186545	/nfs/dbraw/zinc/18/65/45/1169186545.db2.gz	OYLHWUKZJJNJSG-SSDOTTSWSA-N	-1	0	308.216	0.878	20	30		DCEDRM
C=C[C@@H](OC(=O)C(C)(C)NC(=O)COC(C)(C)C)C(=O)[O-]	ZINC001602819941	1169188045	/nfs/dbraw/zinc/18/80/45/1169188045.db2.gz	AQLKACLRIMWTQW-SECBINFHSA-N	-1	0	301.339	0.879	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1CC(C)C	ZINC001602820884	1169188330	/nfs/dbraw/zinc/18/83/30/1169188330.db2.gz	PRKWCAPTSFGJEK-UTUOFQBUSA-N	-1	0	324.381	0.832	20	30		DCEDRM
C=CC[C@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)C(=O)OCC	ZINC001602842192	1169191295	/nfs/dbraw/zinc/19/12/95/1169191295.db2.gz	FZCPGMMNWHFESN-LBPRGKRZSA-N	-1	0	306.318	0.946	20	30		DCEDRM
C=CCN(C)CCN(CC)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001602887425	1169198219	/nfs/dbraw/zinc/19/82/19/1169198219.db2.gz	VLJTURAVXKIOPL-UHFFFAOYSA-N	-1	0	315.395	0.841	20	30		DCEDRM
C=CCCS(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC001602880815	1169198439	/nfs/dbraw/zinc/19/84/39/1169198439.db2.gz	FSNVOQDHVJVWPF-JTQLQIEISA-N	-1	0	306.384	0.097	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccncc1C(=O)[O-]	ZINC001602902100	1169201519	/nfs/dbraw/zinc/20/15/19/1169201519.db2.gz	OOJAOVJRZAIHCJ-MRVPVSSYSA-N	-1	0	321.289	0.337	20	30		DCEDRM
C=CCOCC(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)[O-]	ZINC001602906527	1169201594	/nfs/dbraw/zinc/20/15/94/1169201594.db2.gz	JHWHWVHEMIQMAX-ZJUUUORDSA-N	-1	0	316.379	0.070	20	30		DCEDRM
C=CCOCC(=O)NC[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001602907082	1169202270	/nfs/dbraw/zinc/20/22/70/1169202270.db2.gz	WCAVLCFTUCZBIC-XYPYZODXSA-N	-1	0	320.349	0.106	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCn2c(C)ncc2C1)C(=O)[O-]	ZINC001602910337	1169203047	/nfs/dbraw/zinc/20/30/47/1169203047.db2.gz	VTUMOBQBOJQFCE-AAEUAGOBSA-N	-1	0	307.350	0.526	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(N2CCC2)nc1)C(=O)[O-]	ZINC001602913154	1169203611	/nfs/dbraw/zinc/20/36/11/1169203611.db2.gz	KFXTZFZBDYNDCN-LBPRGKRZSA-N	-1	0	305.334	0.677	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C(=O)OC)n1C)C(=O)[O-]	ZINC001602913460	1169204211	/nfs/dbraw/zinc/20/42/11/1169204211.db2.gz	QSIHACYSIJBAKF-VIFPVBQESA-N	-1	0	310.306	0.197	20	30		DCEDRM
C=CCOCc1nnc(N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1CC=C	ZINC001602920484	1169207616	/nfs/dbraw/zinc/20/76/16/1169207616.db2.gz	FPCCUJFPUMSUTF-RYUDHWBXSA-N	-1	0	322.365	0.845	20	30		DCEDRM
C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602931854	1169211088	/nfs/dbraw/zinc/21/10/88/1169211088.db2.gz	DDBVEGSLZGQEHR-QWRGUYRKSA-N	-1	0	319.365	0.321	20	30		DCEDRM
C=CCn1c([C@H](O)C=C)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001602933546	1169211162	/nfs/dbraw/zinc/21/11/62/1169211162.db2.gz	ZAVXDPGQFKXRJB-GHMZBOCLSA-N	-1	0	308.338	0.363	20	30		DCEDRM
C=CCn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1C(C)(F)F	ZINC001602937279	1169213012	/nfs/dbraw/zinc/21/30/12/1169213012.db2.gz	TXPLSUMGPHXRIV-MRVPVSSYSA-N	-1	0	302.281	0.866	20	30		DCEDRM
C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C	ZINC001602944919	1169217035	/nfs/dbraw/zinc/21/70/35/1169217035.db2.gz	NGQOHOMGSUETCR-MRVPVSSYSA-N	-1	0	310.281	0.434	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[nH]n2)C1	ZINC001602983927	1169223486	/nfs/dbraw/zinc/22/34/86/1169223486.db2.gz	OKYNLYJXZVRCFZ-OPRDCNLKSA-N	-1	0	312.337	0.480	20	30		DCEDRM
C[C@H](C#N)OCCn1cc(CN2CCCC[C@H]2C(=O)[O-])nn1	ZINC001603131876	1169250138	/nfs/dbraw/zinc/25/01/38/1169250138.db2.gz	NMHJMYJQFZETCS-YPMHNXCESA-N	-1	0	307.354	0.646	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001603154158	1169259399	/nfs/dbraw/zinc/25/93/99/1169259399.db2.gz	YMUASCDWKHXNHR-YXMPFFBPSA-N	-1	0	311.382	0.603	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)NC1(C(=O)[O-])CCSCC1	ZINC001603230453	1169278411	/nfs/dbraw/zinc/27/84/11/1169278411.db2.gz	MJQBSXZUYRWKSK-UHFFFAOYSA-N	-1	0	306.409	0.806	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001603295561	1169288632	/nfs/dbraw/zinc/28/86/32/1169288632.db2.gz	CITNLQQBTFYJNQ-GHMZBOCLSA-N	-1	0	306.362	0.522	20	30		DCEDRM
CCC(=Nn1c(=O)[n-][nH]c1=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001603964467	1169455340	/nfs/dbraw/zinc/45/53/40/1169455340.db2.gz	DJLMXLJPMNYRHS-UHFFFAOYSA-N	-1	0	300.282	0.532	20	30		DCEDRM
C[C@H](CC#N)NC(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl	ZINC001604060439	1169482639	/nfs/dbraw/zinc/48/26/39/1169482639.db2.gz	LNDDGQIMUIQJSH-ZCFIWIBFSA-N	-1	0	310.697	0.790	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N([C@@H](C)C(=O)[O-])C1CCC1	ZINC001604061326	1169484929	/nfs/dbraw/zinc/48/49/29/1169484929.db2.gz	RYZAAMMFTRZOPN-ZJUUUORDSA-N	-1	0	303.384	0.793	20	30		DCEDRM
C[C@@](CO)(NS(=O)(=O)c1cccc(C#N)c1Cl)C(=O)[O-]	ZINC001604198231	1169521243	/nfs/dbraw/zinc/52/12/43/1169521243.db2.gz	DGHUEPNEQSTARW-NSHDSACASA-N	-1	0	318.738	0.326	20	30		DCEDRM
C[C@@](NC(=O)CCNC(=O)C1N=CC=CC1=O)(C(=O)[O-])C1CC1	ZINC001604269946	1169541484	/nfs/dbraw/zinc/54/14/84/1169541484.db2.gz	UDBOURPBQFXQGC-LHNRBYRGSA-N	-1	0	321.333	0.272	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCC[C@@](C)(C#N)C1	ZINC001604625490	1169635594	/nfs/dbraw/zinc/63/55/94/1169635594.db2.gz	YKTDTGSOLUXNET-ZETOZRRWSA-N	-1	0	307.350	0.460	20	30		DCEDRM
C[C@H]1CC(NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)=NO1	ZINC001604672877	1169650098	/nfs/dbraw/zinc/65/00/98/1169650098.db2.gz	ARVQBWKLRXSJGT-YUMQZZPRSA-N	-1	0	315.326	0.593	20	30		DCEDRM
C[C@H]1CN(C(=O)c2ccoc2CC(=O)[O-])C[C@H](C)N1CC#N	ZINC001604784209	1169680771	/nfs/dbraw/zinc/68/07/71/1169680771.db2.gz	WBXXLTHYXWQWRN-QWRGUYRKSA-N	-1	0	305.334	0.965	20	30		DCEDRM
C[C@H]1CN(CCn2cc(C(=O)[O-])cc(C#N)c2=O)C[C@H](C)O1	ZINC001604796786	1169689008	/nfs/dbraw/zinc/68/90/08/1169689008.db2.gz	DTPIVDDTKCUSHX-QWRGUYRKSA-N	-1	0	305.334	0.527	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCC1=O	ZINC001604804904	1169691181	/nfs/dbraw/zinc/69/11/81/1169691181.db2.gz	BZZIVWNOEYDDTN-VIFPVBQESA-N	-1	0	322.342	0.856	20	30		DCEDRM
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCCC(=O)[O-]	ZINC001604812351	1169692865	/nfs/dbraw/zinc/69/28/65/1169692865.db2.gz	BZFQKVLSYQEECN-NSHDSACASA-N	-1	0	317.349	0.640	20	30		DCEDRM
CC[C@@H](CNC(=O)CSCC#N)Nc1ncc(C(=O)[O-])cn1	ZINC001605032299	1169787846	/nfs/dbraw/zinc/78/78/46/1169787846.db2.gz	FNOGZGJDRCIDNK-JTQLQIEISA-N	-1	0	323.378	0.738	20	30		DCEDRM
CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001605447822	1169924774	/nfs/dbraw/zinc/92/47/74/1169924774.db2.gz	KJLRNOYZSGXCDJ-QWRGUYRKSA-N	-1	0	303.322	0.329	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2csc(C(=O)[O-])c2)c1=O	ZINC001605915655	1170027043	/nfs/dbraw/zinc/02/70/43/1170027043.db2.gz	UQMBKBYBKQGGNV-UHFFFAOYSA-N	-1	0	305.315	0.710	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(CC#N)cc1	ZINC001606110343	1170079851	/nfs/dbraw/zinc/07/98/51/1170079851.db2.gz	DWNIJBKFKOOIOT-UHFFFAOYSA-N	-1	0	311.363	0.494	20	30		DCEDRM
CN(CCC#N)C(=O)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F	ZINC001606115171	1170082112	/nfs/dbraw/zinc/08/21/12/1170082112.db2.gz	BPZZYHHDIKANQB-UHFFFAOYSA-N	-1	0	311.244	0.974	20	30		DCEDRM
Cc1oc(NC(=O)CN2CC(C)(C#N)C2)c(-c2nn[nH]n2)c1C	ZINC001606173927	1170102622	/nfs/dbraw/zinc/10/26/22/1170102622.db2.gz	MWOSJXHPRIHTTD-UHFFFAOYSA-N	-1	0	315.337	0.861	20	30		DCEDRM
CN1C(=O)CN(N=Cc2cc(C(=O)[O-])c3n2CCCC3)C1=O	ZINC001606189884	1170107535	/nfs/dbraw/zinc/10/75/35/1170107535.db2.gz	VKAHUMXPDZLVNL-UHFFFAOYSA-N	-1	0	304.306	0.751	20	30		DCEDRM
Cn1nc(C(F)(F)F)cc1Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC001606268626	1170142235	/nfs/dbraw/zinc/14/22/35/1170142235.db2.gz	QERUVNORXZRBJQ-UHFFFAOYSA-N	-1	0	323.242	0.735	20	30		DCEDRM
CNS(=O)(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001606299091	1170154133	/nfs/dbraw/zinc/15/41/33/1170154133.db2.gz	RVWNGDMKGDFGFA-SECBINFHSA-N	-1	0	324.362	0.169	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001606345901	1170165616	/nfs/dbraw/zinc/16/56/16/1170165616.db2.gz	AWZUBESHIDPDMJ-NXEZZACHSA-N	-1	0	309.322	0.195	20	30		DCEDRM
N#Cc1ncc(Nc2cnn(CC(F)F)c2)nc1-c1nnn[n-]1	ZINC001606398295	1170183024	/nfs/dbraw/zinc/18/30/24/1170183024.db2.gz	VHMKUUOTQJEMTM-UHFFFAOYSA-N	-1	0	318.251	0.734	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@@H](c3nnc[nH]3)C2)nc1-c1nnn[n-]1	ZINC001606397117	1170183173	/nfs/dbraw/zinc/18/31/73/1170183173.db2.gz	HPHWFHHTQOPTTQ-MRVPVSSYSA-N	-1	0	323.324	0.030	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cccnc1C#N	ZINC001606786075	1170289412	/nfs/dbraw/zinc/28/94/12/1170289412.db2.gz	HSBOEYHUCWBPLA-LBPRGKRZSA-N	-1	0	313.335	0.111	20	30		DCEDRM
COC[C@H](OC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C(=O)[O-]	ZINC001606821267	1170301941	/nfs/dbraw/zinc/30/19/41/1170301941.db2.gz	QICCEYNRGWSCEQ-LBPRGKRZSA-N	-1	0	322.317	0.851	20	30		DCEDRM
CO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001607005256	1170352231	/nfs/dbraw/zinc/35/22/31/1170352231.db2.gz	FOFMEVSHIQNMPF-JTQLQIEISA-N	-1	0	310.331	0.666	20	30		DCEDRM
COc1cc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)ccc1C#N	ZINC001607068199	1170378955	/nfs/dbraw/zinc/37/89/55/1170378955.db2.gz	KTFARNZSSXNCCG-VXGBXAGGSA-N	-1	0	304.302	0.474	20	30		DCEDRM
COc1ncc(/C=C\C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001607359831	1170435893	/nfs/dbraw/zinc/43/58/93/1170435893.db2.gz	PTEOGQQUFSGMKC-IHWYPQMZSA-N	-1	0	316.317	0.715	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001607427802	1170450573	/nfs/dbraw/zinc/45/05/73/1170450573.db2.gz	LYXYQZVSAVYZGO-SKDRFNHKSA-N	-1	0	317.301	0.197	20	30		DCEDRM
Cc1cc(C#N)c(=O)n(CC(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC001607564251	1170476476	/nfs/dbraw/zinc/47/64/76/1170476476.db2.gz	BDVPYFOHNOWYEM-UHFFFAOYSA-N	-1	0	303.318	0.352	20	30		DCEDRM
Cc1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)ncc1C#N	ZINC001607569852	1170477208	/nfs/dbraw/zinc/47/72/08/1170477208.db2.gz	TVRMXRGFGUBBNT-UHFFFAOYSA-N	-1	0	312.289	0.249	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)ncc1C#N	ZINC001607672815	1170493609	/nfs/dbraw/zinc/49/36/09/1170493609.db2.gz	ZGAWXISPNHUCAR-NSHDSACASA-N	-1	0	314.301	0.490	20	30		DCEDRM
Cc1nccc(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001607986671	1170540101	/nfs/dbraw/zinc/54/01/01/1170540101.db2.gz	IJZPOGCPMHHHJX-UHFFFAOYSA-N	-1	0	303.322	0.685	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)Cn2ncc3cccnc32)CC1	ZINC001608171117	1170608003	/nfs/dbraw/zinc/60/80/03/1170608003.db2.gz	FUCVBHPRJRWHES-UHFFFAOYSA-N	-1	0	313.317	0.648	20	30		DCEDRM
N#CC1(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)CCSCC1	ZINC001608172507	1170609132	/nfs/dbraw/zinc/60/91/32/1170609132.db2.gz	XKSVJMHEHQJWHB-GHMZBOCLSA-N	-1	0	312.391	0.877	20	30		DCEDRM
N#CC[C@@]1(O)CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])C1	ZINC001608181540	1170610212	/nfs/dbraw/zinc/61/02/12/1170610212.db2.gz	KVOLKMQHWNKRPR-CQSZACIVSA-N	-1	0	324.358	0.565	20	30		DCEDRM
N#CCCn1ccc(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1	ZINC001608183507	1170611834	/nfs/dbraw/zinc/61/18/34/1170611834.db2.gz	OJLJCEIYQZNVKW-VHSXEESVSA-N	-1	0	307.310	0.096	20	30		DCEDRM
N#CCCN(C(=O)CN1CC[C@](O)(C(=O)[O-])C1)c1ccccc1	ZINC001608182866	1170611919	/nfs/dbraw/zinc/61/19/19/1170611919.db2.gz	PBFARMGFAPAGIL-MRXNPFEDSA-N	-1	0	317.345	0.455	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1cnc2n1CCCC2	ZINC001608187970	1170612494	/nfs/dbraw/zinc/61/24/94/1170612494.db2.gz	HSGUGYNEOCRWRQ-UHFFFAOYSA-N	-1	0	312.351	0.208	20	30		DCEDRM
N#Cc1c(CN(CCO)CCOCCO)cccc1C(=O)[O-]	ZINC001608190780	1170613162	/nfs/dbraw/zinc/61/31/62/1170613162.db2.gz	DCZUSYJXKTWYRC-UHFFFAOYSA-N	-1	0	308.334	0.060	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)CCOCC1CCCC1	ZINC001608186143	1170613191	/nfs/dbraw/zinc/61/31/91/1170613191.db2.gz	FELUSKZJLAFLNQ-UHFFFAOYSA-N	-1	0	318.395	0.823	20	30		DCEDRM
N#Cc1c2ccccc2[nH]c1C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001608192158	1170613641	/nfs/dbraw/zinc/61/36/41/1170613641.db2.gz	VJJMKRZZNZKQFG-UHFFFAOYSA-N	-1	0	324.300	0.759	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1	ZINC001608203934	1170614590	/nfs/dbraw/zinc/61/45/90/1170614590.db2.gz	MFEYGAPWSUPCGP-CYBMUJFWSA-N	-1	0	315.329	0.293	20	30		DCEDRM
N#Cc1ccc(F)cc1CN1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001608206444	1170615423	/nfs/dbraw/zinc/61/54/23/1170615423.db2.gz	GHEVJRKIJHCLMW-KGLIPLIRSA-N	-1	0	317.320	0.718	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)NCc2ocnc2C(=O)[O-])cc1	ZINC001608202373	1170615448	/nfs/dbraw/zinc/61/54/48/1170615448.db2.gz	PFSLYEKGTPRCDJ-LBPRGKRZSA-N	-1	0	301.258	0.594	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CC23CC(O)C3)c(C(=O)[O-])c1	ZINC001608210351	1170615699	/nfs/dbraw/zinc/61/56/99/1170615699.db2.gz	HVHSJNHKJRHOGW-PEUVISTOSA-N	-1	0	322.342	0.448	20	30		DCEDRM
N#Cc1ccc(N2CCC(O)(C3(C(=O)[O-])CCC3)CC2)nn1	ZINC001608207899	1170615707	/nfs/dbraw/zinc/61/57/07/1170615707.db2.gz	WZOBHRZXMHMIIM-UHFFFAOYSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nc1	ZINC001608208673	1170615796	/nfs/dbraw/zinc/61/57/96/1170615796.db2.gz	KKGWIQNREZOXCB-NUYITTKVSA-N	-1	0	300.318	0.758	20	30		DCEDRM
N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1	ZINC001608209090	1170616193	/nfs/dbraw/zinc/61/61/93/1170616193.db2.gz	WEZBHVQPLKGYNB-OIDVMBJGSA-N	-1	0	301.306	0.153	20	30		DCEDRM
N#Cc1ccc2ncc(CN3CCC[C@@H](O)[C@@H]3C(=O)[O-])n2c1	ZINC001608215285	1170617155	/nfs/dbraw/zinc/61/71/55/1170617155.db2.gz	ZYLSGJJFJKKPCT-TZMCWYRMSA-N	-1	0	300.318	0.616	20	30		DCEDRM
N#Cc1cnc(N2CCC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cn1	ZINC001608222223	1170618236	/nfs/dbraw/zinc/61/82/36/1170618236.db2.gz	BKCMQRPHSWRDQP-RYUDHWBXSA-N	-1	0	315.333	0.154	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001608225569	1170619697	/nfs/dbraw/zinc/61/96/97/1170619697.db2.gz	SFKNIMQTZUKCHC-UHFFFAOYSA-N	-1	0	320.330	0.332	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)n1	ZINC001608225641	1170619746	/nfs/dbraw/zinc/61/97/46/1170619746.db2.gz	WKQIVCXUXLXUOQ-UHFFFAOYSA-N	-1	0	318.268	0.809	20	30		DCEDRM
O=C([O-])c1ccn(CC(=O)NCc2ccc(C(=O)NO)cc2)n1	ZINC001608378132	1170664631	/nfs/dbraw/zinc/66/46/31/1170664631.db2.gz	SQFXQLBXUXSZGB-UHFFFAOYSA-N	-1	0	318.289	0.017	20	30		DCEDRM
O=C([O-])c1cc(Cl)cc(S(=O)(=O)NCC#CCO)c1	ZINC001608846548	1170764845	/nfs/dbraw/zinc/76/48/45/1170764845.db2.gz	HLZPXPRGWCPZCF-UHFFFAOYSA-N	-1	0	303.723	0.312	20	30		DCEDRM
O=C([O-])c1ccc(S(=O)(=O)NCC#CCO)c2ccccc12	ZINC001608911599	1170771135	/nfs/dbraw/zinc/77/11/35/1170771135.db2.gz	SDXXXTKWVACMHO-UHFFFAOYSA-N	-1	0	319.338	0.812	20	30		DCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC001609019456	1170785364	/nfs/dbraw/zinc/78/53/64/1170785364.db2.gz	UNCMHAISFMCTCU-QMMMGPOBSA-N	-1	0	309.326	0.696	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])[C@H]1CCCO1	ZINC001609057610	1170794697	/nfs/dbraw/zinc/79/46/97/1170794697.db2.gz	ATBOIUYVXDNVBW-WUHRBBMRSA-N	-1	0	315.391	0.730	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C)CCC2)C(=O)[O-]	ZINC001609089177	1170803643	/nfs/dbraw/zinc/80/36/43/1170803643.db2.gz	HNPLYMKAIRSNNQ-CYBMUJFWSA-N	-1	0	322.386	0.824	20	30		DCEDRM
CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cnn(C)c2N)o1	ZINC001609106570	1170812186	/nfs/dbraw/zinc/81/21/86/1170812186.db2.gz	ZFZBNJFFANVREC-UHFFFAOYSA-N	-1	0	316.329	0.740	20	30		DCEDRM
C#Cc1ccccc1CC(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC001609189833	1170858354	/nfs/dbraw/zinc/85/83/54/1170858354.db2.gz	FKKRFRYMESMCCD-INIZCTEOSA-N	-1	0	317.341	0.979	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC001609267114	1170903967	/nfs/dbraw/zinc/90/39/67/1170903967.db2.gz	KXLBMVVQZMAQRP-JTQLQIEISA-N	-1	0	306.318	0.949	20	30		DCEDRM
C=C[C@H](C)NC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001609266963	1170904493	/nfs/dbraw/zinc/90/44/93/1170904493.db2.gz	HBKSHMYFIJPAQP-ZETCQYMHSA-N	-1	0	306.274	0.743	20	30		DCEDRM
COC(=O)CC1(Cn2c(C)nc(-c3nnn[n-]3)c2C#N)CC1	ZINC001609297873	1170921293	/nfs/dbraw/zinc/92/12/93/1170921293.db2.gz	BKLBHVSPSWKNPF-UHFFFAOYSA-N	-1	0	301.310	0.587	20	30		DCEDRM
COC(=O)c1occc1Cn1c(C)nc(-c2nnn[n-]2)c1C#N	ZINC001609306935	1170928292	/nfs/dbraw/zinc/92/82/92/1170928292.db2.gz	IJBFPKXEPRMBIU-UHFFFAOYSA-N	-1	0	313.277	0.671	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001609341118	1170945026	/nfs/dbraw/zinc/94/50/26/1170945026.db2.gz	XVVPTXCFZDFGAX-OAHLLOKOSA-N	-1	0	312.366	0.409	20	30		DCEDRM
C=CCN(Cc1cc(C(=O)[O-])n(C)c1)[C@H]1CCS(=O)(=O)C1	ZINC001609371574	1170951778	/nfs/dbraw/zinc/95/17/78/1170951778.db2.gz	LGERKPVFKZOMMT-LBPRGKRZSA-N	-1	0	312.391	0.898	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1cn2cccnc2n1	ZINC001609445413	1170981352	/nfs/dbraw/zinc/98/13/52/1170981352.db2.gz	GAEBXSMTGXHCQL-UHFFFAOYSA-N	-1	0	306.293	0.334	20	30		DCEDRM
C=CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001609470510	1170988902	/nfs/dbraw/zinc/98/89/02/1170988902.db2.gz	XGYFESLAXOHTCY-NSHDSACASA-N	-1	0	303.322	0.749	20	30		DCEDRM
N#Cc1ccccc1OCCn1cncc(-c2nnn[n-]2)c1=O	ZINC001609500450	1170999694	/nfs/dbraw/zinc/99/96/94/1170999694.db2.gz	AMMXIDPLFSZHIO-UHFFFAOYSA-N	-1	0	309.289	0.374	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC001609630806	1171056405	/nfs/dbraw/zinc/05/64/05/1171056405.db2.gz	FPZDCSHFTGCYPI-NWDGAFQWSA-N	-1	0	323.393	0.954	20	30		DCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNCCCN1CCOCC1	ZINC001609646654	1171059103	/nfs/dbraw/zinc/05/91/03/1171059103.db2.gz	YTAISZXFVFUFKH-ZDUSSCGKSA-N	-1	0	308.382	0.780	20	30		DCEDRM
CC(C)(CNC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001609675655	1171063741	/nfs/dbraw/zinc/06/37/41/1171063741.db2.gz	QVZARAOYEZLQTG-VAWYXSNFSA-N	-1	0	309.322	0.130	20	30		DCEDRM
C[C@@H](O)C(=O)N1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1	ZINC001609790102	1171085851	/nfs/dbraw/zinc/08/58/51/1171085851.db2.gz	XDINLMHDTQVYBO-LLVKDONJSA-N	-1	0	317.345	0.281	20	30		DCEDRM
C[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)C(=O)NCC(=O)[O-]	ZINC001609798446	1171089232	/nfs/dbraw/zinc/08/92/32/1171089232.db2.gz	NYGYAMNPQBEYFD-ZETCQYMHSA-N	-1	0	310.693	0.958	20	30		DCEDRM
COC(=O)[C@]1(NCc2cccc(C(=O)[O-])c2C#N)CCOC1	ZINC001610157082	1171182295	/nfs/dbraw/zinc/18/22/95/1171182295.db2.gz	SBQAKFMTWVMNTR-HNNXBMFYSA-N	-1	0	304.302	0.678	20	30		DCEDRM
COC(=O)c1cc(C#N)c(=O)n(Cc2ccoc2C(=O)[O-])c1	ZINC001610195580	1171194036	/nfs/dbraw/zinc/19/40/36/1171194036.db2.gz	JERDLVYCWLVKIA-UHFFFAOYSA-N	-1	0	302.242	0.846	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)Cc1ccccc1CC#N	ZINC001610192634	1171194479	/nfs/dbraw/zinc/19/44/79/1171194479.db2.gz	FLCYVHKMENBOLW-CYBMUJFWSA-N	-1	0	318.329	0.818	20	30		DCEDRM
COC(=O)c1ccc(=O)n(Cc2cccc(C(=O)[O-])c2C#N)n1	ZINC001610208202	1171197405	/nfs/dbraw/zinc/19/74/05/1171197405.db2.gz	STJVZKMYGJIPCH-UHFFFAOYSA-N	-1	0	313.269	0.648	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC001610258752	1171211562	/nfs/dbraw/zinc/21/15/62/1171211562.db2.gz	WFBMMDLDKPDLAK-UHFFFAOYSA-N	-1	0	312.347	0.854	20	30		DCEDRM
COc1cc(CNC(=O)c2cnc(C(=O)[O-])cn2)ccc1C#N	ZINC001610296899	1171217344	/nfs/dbraw/zinc/21/73/44/1171217344.db2.gz	GYAFJYGGTKRJNU-UHFFFAOYSA-N	-1	0	312.285	0.985	20	30		DCEDRM
Cc1cc(NC(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)n(C)n1	ZINC001610472902	1171240883	/nfs/dbraw/zinc/24/08/83/1171240883.db2.gz	VPSAFNLCAMAIQS-UHFFFAOYSA-N	-1	0	315.289	0.099	20	30		DCEDRM
N#CCNC(=O)CNC(=O)N1CCc2cccc(C(=O)[O-])c2C1	ZINC001610623032	1171271332	/nfs/dbraw/zinc/27/13/32/1171271332.db2.gz	PCIBBAXMOGSBNI-UHFFFAOYSA-N	-1	0	316.317	0.092	20	30		DCEDRM
N#CC1(NC(=O)COC(=O)c2ccc(C(=O)[O-])nc2)CCC1	ZINC001610620949	1171271664	/nfs/dbraw/zinc/27/16/64/1171271664.db2.gz	XUHPGMWTZGJRMA-UHFFFAOYSA-N	-1	0	303.274	0.499	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])s1	ZINC001610629881	1171272862	/nfs/dbraw/zinc/27/28/62/1171272862.db2.gz	BMFVDKURYLQXTK-WPRPVWTQSA-N	-1	0	316.360	0.218	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001610629008	1171273071	/nfs/dbraw/zinc/27/30/71/1171273071.db2.gz	KGSOOVKVACXOMC-AAEUAGOBSA-N	-1	0	303.318	0.264	20	30		DCEDRM
N#Cc1sc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])nc1Cl	ZINC001610636950	1171275005	/nfs/dbraw/zinc/27/50/05/1171275005.db2.gz	PMHOHRVXYSZUER-ZCFIWIBFSA-N	-1	0	314.754	0.838	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc3cccnc3c2O)c(C#N)c1=O	ZINC001612507572	1171362084	/nfs/dbraw/zinc/36/20/84/1171362084.db2.gz	VWPJIZGXBPJWGG-UHFFFAOYSA-N	-1	0	323.312	0.811	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-]	ZINC001628849159	1171537135	/nfs/dbraw/zinc/53/71/35/1171537135.db2.gz	AWZICPMCUDYPEM-JTQLQIEISA-N	-1	0	321.283	0.970	20	30		DCEDRM
C=CCn1nc(C)c(-c2cc(C(=O)Nc3nnn[n-]3)n[nH]2)c1C	ZINC001634296759	1171668900	/nfs/dbraw/zinc/66/89/00/1171668900.db2.gz	KQLJUTRMYBRXGA-UHFFFAOYSA-N	-1	0	313.325	0.841	20	30		DCEDRM
COC[C@@H](NC(=O)C(=O)C=Cc1ccc(F)cc1)c1nnn[n-]1	ZINC001638139903	1171786472	/nfs/dbraw/zinc/78/64/72/1171786472.db2.gz	PFRDXYSDPZXMFA-MEQVVJDKSA-N	-1	0	319.296	0.425	20	30		DCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)C(=O)C=Cc1ccc(F)cc1	ZINC001639078096	1171820295	/nfs/dbraw/zinc/82/02/95/1171820295.db2.gz	GAVGGZDVIORJEU-QPJJXVBHSA-N	-1	0	305.265	0.743	20	30		DCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1nnc2ccccn21	ZINC001642043171	1171935966	/nfs/dbraw/zinc/93/59/66/1171935966.db2.gz	KLRILHFYRDQXLZ-QMMMGPOBSA-N	-1	0	311.305	0.161	20	30		DCEDRM
COCCOc1cccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001642099672	1171936672	/nfs/dbraw/zinc/93/66/72/1171936672.db2.gz	DJUXXGBOGAJCHL-UHFFFAOYSA-N	-1	0	316.317	0.714	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cccc(NC=O)c2)c(=O)[n-]c1=O	ZINC001645463241	1172043724	/nfs/dbraw/zinc/04/37/24/1172043724.db2.gz	MSJBMMHVBVMNSX-UHFFFAOYSA-N	-1	0	313.273	0.028	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)CO[C@H]2CCOC2)cc1	ZINC001645591593	1172068242	/nfs/dbraw/zinc/06/82/42/1172068242.db2.gz	LWSNOCBMCQBWLU-NSHDSACASA-N	-1	0	310.331	0.169	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)o1	ZINC001646098498	1172251950	/nfs/dbraw/zinc/25/19/50/1172251950.db2.gz	BPTGEHVGSIFWKZ-UHFFFAOYSA-N	-1	0	301.224	0.902	20	30		DCEDRM
CO[C@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccc1	ZINC001647623897	1173004359	/nfs/dbraw/zinc/00/43/59/1173004359.db2.gz	LXJHGLMMRVQBEA-GFCCVEGCSA-N	-1	0	300.318	0.745	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cc(=O)c3ccccc3[nH]2)c(C#N)c1=O	ZINC001652136715	1173762313	/nfs/dbraw/zinc/76/23/13/1173762313.db2.gz	GFZXLJPAGUZYMT-UHFFFAOYSA-N	-1	0	323.312	0.399	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2csc(-c3ccccn3)n2)c1=O	ZINC001652908673	1173778805	/nfs/dbraw/zinc/77/88/05/1173778805.db2.gz	HCJRBXWOTJMUKN-UHFFFAOYSA-N	-1	0	311.326	0.975	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1cc(Br)ccc1F	ZINC001655461778	1173819955	/nfs/dbraw/zinc/81/99/55/1173819955.db2.gz	KLSRZGPFHPEGSX-MRVPVSSYSA-N	-1	0	322.155	0.861	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ncc[n-]2)c1	ZINC001661491093	1174130234	/nfs/dbraw/zinc/13/02/34/1174130234.db2.gz	ZDJFLPIZXKHDQS-UHFFFAOYSA-N	-1	0	318.358	0.650	20	30		DCEDRM
CN(CC#N)CCN(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001667664102	1174699275	/nfs/dbraw/zinc/69/92/75/1174699275.db2.gz	LHTXLEQGKUCVAB-UHFFFAOYSA-N	-1	0	308.304	0.357	20	30		DCEDRM
CC(C)CCCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001681583487	1175905241	/nfs/dbraw/zinc/90/52/41/1175905241.db2.gz	KLPCKIYJCIHSDG-UHFFFAOYSA-N	-1	0	307.354	0.556	20	30		DCEDRM
C=CCCC(=O)NCCCN(CC)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001687687885	1176280798	/nfs/dbraw/zinc/28/07/98/1176280798.db2.gz	OXDWEODGPPRKRW-UHFFFAOYSA-N	-1	0	323.353	0.217	20	30		DCEDRM
CC#CCCCC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001703440473	1179541871	/nfs/dbraw/zinc/54/18/71/1179541871.db2.gz	PNMOZRSHAFBNGC-GFCCVEGCSA-N	-1	0	318.377	0.948	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NCCN(CC#N)C2CC2)cc1=O	ZINC001714667956	1181468032	/nfs/dbraw/zinc/46/80/32/1181468032.db2.gz	HDSBPQOINTUSPY-UHFFFAOYSA-N	-1	0	319.409	0.479	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)C[C@H](C)NC(=O)C#CC2CC2)c1[O-]	ZINC001718918549	1183391691	/nfs/dbraw/zinc/39/16/91/1183391691.db2.gz	JGAIMNSCWVCNPE-UWVGGRQHSA-N	-1	0	318.377	0.850	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001721106354	1183832132	/nfs/dbraw/zinc/83/21/32/1183832132.db2.gz	LMZJVLLGHCEJLL-VIFPVBQESA-N	-1	0	323.353	0.073	20	30		DCEDRM
C=CCCC(=O)NCCN(CC)C(=O)c1cnc([O-])n(C)c1=O	ZINC001721137093	1183843681	/nfs/dbraw/zinc/84/36/81/1183843681.db2.gz	KQVIUZJJDSEAQH-UHFFFAOYSA-N	-1	0	322.365	0.030	20	30		DCEDRM
C[C@H](CN(C)CC#N)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001722914520	1184232071	/nfs/dbraw/zinc/23/20/71/1184232071.db2.gz	BMRQKHJPZRLEAE-MRVPVSSYSA-N	-1	0	308.304	0.404	20	30		DCEDRM
C[C@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H]1CNCC#N	ZINC001724610028	1184472612	/nfs/dbraw/zinc/47/26/12/1184472612.db2.gz	DUQMEWIOCURIFJ-VHSXEESVSA-N	-1	0	315.333	0.750	20	30		DCEDRM
C=CCCC(=O)NCCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001726305386	1185147224	/nfs/dbraw/zinc/14/72/24/1185147224.db2.gz	WIVGGCIHJGKQAR-VIFPVBQESA-N	-1	0	323.353	0.264	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001731854222	1185529265	/nfs/dbraw/zinc/52/92/65/1185529265.db2.gz	MEMXGAOUURENEY-LLVKDONJSA-N	-1	0	305.382	0.805	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C#CC3CC3)C[C@@H]2C)c1[O-]	ZINC001735327352	1186868098	/nfs/dbraw/zinc/86/80/98/1186868098.db2.gz	WGGQZKXUPCQHLK-CABZTGNLSA-N	-1	0	316.361	0.556	20	30		DCEDRM
C=CCCCC(=O)N[C@H](C)CNC(=O)c1cnc([O-])n(C)c1=O	ZINC001738578946	1187600307	/nfs/dbraw/zinc/60/03/07/1187600307.db2.gz	QCOYVEVCGDXUKY-SNVBAGLBSA-N	-1	0	322.365	0.077	20	30		DCEDRM
C#CCC1(C(=O)NC[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])CCC1	ZINC001738586337	1187602893	/nfs/dbraw/zinc/60/28/93/1187602893.db2.gz	JUCICNXOPKCLJU-JTQLQIEISA-N	-1	0	318.377	0.852	20	30		DCEDRM
C#CCN(C(=O)c1n[nH]c(C)c1[O-])C1CCN(C(=O)CC)CC1	ZINC001739616404	1187819799	/nfs/dbraw/zinc/81/97/99/1187819799.db2.gz	YIORBJRQOKQAFM-UHFFFAOYSA-N	-1	0	318.377	0.900	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCNC(=O)C2)n1	ZINC001771620831	1188359231	/nfs/dbraw/zinc/35/92/31/1188359231.db2.gz	AXCHLSXGLGIJQF-UWVGGRQHSA-N	-1	0	321.358	0.697	20	30		DCEDRM
C=CC[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)C(=O)[O-]	ZINC000316748679	1190417057	/nfs/dbraw/zinc/41/70/57/1190417057.db2.gz	TUIWAVPKCSWDOS-SNVBAGLBSA-N	-1	0	303.274	0.721	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)CO[C@@H]1CCOC1	ZINC001771618480	1190451908	/nfs/dbraw/zinc/45/19/08/1190451908.db2.gz	UXWAVTNWPOTSRX-GFCCVEGCSA-N	-1	0	324.358	0.477	20	30		DCEDRM
COC[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccc1	ZINC001772112615	1190610198	/nfs/dbraw/zinc/61/01/98/1190610198.db2.gz	CRACMXJBDXKJGG-GFCCVEGCSA-N	-1	0	300.318	0.745	20	30		DCEDRM
Cn1c(=O)[n-]c(N2C[C@@H]3C[C@H]2CN3c2ccccc2)c(C#N)c1=O	ZINC001772118700	1190611498	/nfs/dbraw/zinc/61/14/98/1190611498.db2.gz	GKDGFTYLQVAYAQ-STQMWFEESA-N	-1	0	323.356	0.413	20	30		DCEDRM
C[C@H](C[C@H](C)Nc1cncc(C#N)n1)NC(=O)c1cn[nH]n1	ZINC001089509153	751422791	/nfs/dbraw/zinc/42/27/91/751422791.db2.gz	RVPYAUJQXDVUAD-DTWKUNHWSA-N	-1	0	300.326	0.475	20	30		DCEDRM
C=CCCCC(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001077578190	751713227	/nfs/dbraw/zinc/71/32/27/751713227.db2.gz	PKONSVZKRVWXMY-VIFPVBQESA-N	-1	0	323.353	0.264	20	30		DCEDRM
CCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1cnc(C#N)cn1	ZINC001100502901	747218419	/nfs/dbraw/zinc/21/84/19/747218419.db2.gz	FXQQNTDHQPGITA-UHFFFAOYSA-N	-1	0	315.337	0.342	20	30		DCEDRM
CC(C)(C#N)C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1	ZINC001143401391	747288745	/nfs/dbraw/zinc/28/87/45/747288745.db2.gz	LLBURNAXSLHPSZ-UHFFFAOYSA-N	-1	0	323.374	0.793	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H](C)CNc2cncc(C#N)n2)c1[O-]	ZINC001104532872	747691907	/nfs/dbraw/zinc/69/19/07/747691907.db2.gz	ZNGMVZQONNDTNI-MRVPVSSYSA-N	-1	0	315.337	0.658	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CNc2ccncc2C#N)c1[O-]	ZINC001107688290	752220764	/nfs/dbraw/zinc/22/07/64/752220764.db2.gz	HCAJVUWTTHSSCG-MRVPVSSYSA-N	-1	0	300.322	0.343	20	30		DCEDRM
C[C@H]1[C@H](Nc2ccc(C3(C#N)CC3)cn2)C(=O)N1S(=O)(=O)[O-]	ZINC001167858615	748442039	/nfs/dbraw/zinc/44/20/39/748442039.db2.gz	PVNIEDAMIGKQRF-KWQFWETISA-N	-1	0	322.346	0.451	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCN(C)c2ccncc2C#N)c1[O-]	ZINC001105369374	748570671	/nfs/dbraw/zinc/57/06/71/748570671.db2.gz	ZZDFLVWPKPGLON-UHFFFAOYSA-N	-1	0	314.349	0.899	20	30		DCEDRM
Cc1cc(C#N)nc(NC(=N)SCCS(=O)(=O)[O-])n1	ZINC001168089641	749375353	/nfs/dbraw/zinc/37/53/53/749375353.db2.gz	ZEQBATCFPGQSEV-UHFFFAOYSA-N	-1	0	301.353	0.624	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1C	ZINC001071914407	762224847	/nfs/dbraw/zinc/22/48/47/762224847.db2.gz	PYKFTOSGHOTCLL-GXSJLCMTSA-N	-1	0	322.365	0.203	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001049371119	755239136	/nfs/dbraw/zinc/23/91/36/755239136.db2.gz	DWFFEVPDHILFNB-VWYCJHECSA-N	-1	0	304.354	0.235	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2(CNC(=O)[C@@H](C)C#N)CCC2)c1[O-]	ZINC001064301933	755375630	/nfs/dbraw/zinc/37/56/30/755375630.db2.gz	AVSJDAVJLNSMQI-QMMMGPOBSA-N	-1	0	305.338	0.352	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(OCC(N)=O)cc1	ZINC001122707066	767861222	/nfs/dbraw/zinc/86/12/22/767861222.db2.gz	GUIQMWFZJWGBDC-GFCCVEGCSA-N	-1	0	301.302	0.175	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CC2=CCCCC2)c(=O)[n-]c1=O	ZINC001148393400	767970952	/nfs/dbraw/zinc/97/09/52/767970952.db2.gz	ZRKRVVDYVZSJHE-UHFFFAOYSA-N	-1	0	302.334	0.827	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CN(C)c2ccncc2C#N)c1[O-]	ZINC001108901797	761129704	/nfs/dbraw/zinc/12/97/04/761129704.db2.gz	RZIAASNARHZTGO-SECBINFHSA-N	-1	0	314.349	0.945	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCCNc2cncc(C#N)n2)c1[O-]	ZINC001109412996	761402037	/nfs/dbraw/zinc/40/20/37/761402037.db2.gz	AEBQFIQFEVKSRM-UHFFFAOYSA-N	-1	0	315.337	0.660	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001109601736	761473938	/nfs/dbraw/zinc/47/39/38/761473938.db2.gz	NMQQCPMTGSIGKZ-VWYCJHECSA-N	-1	0	305.382	0.944	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001112676483	761780868	/nfs/dbraw/zinc/78/08/68/761780868.db2.gz	MYSQRJFQKQEFKP-NSHDSACASA-N	-1	0	309.370	0.136	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001112676482	761781112	/nfs/dbraw/zinc/78/11/12/761781112.db2.gz	MYSQRJFQKQEFKP-LLVKDONJSA-N	-1	0	309.370	0.136	20	30		DCEDRM
CCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1ccc(C#N)nn1	ZINC001100503029	763618198	/nfs/dbraw/zinc/61/81/98/763618198.db2.gz	LDHMEHJPTZYJJD-UHFFFAOYSA-N	-1	0	315.337	0.342	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H](C)Nc2ccc(C#N)nn2)c1[O-]	ZINC001115671540	765787289	/nfs/dbraw/zinc/78/72/89/765787289.db2.gz	PUBCEIFXAVYHHV-QMMMGPOBSA-N	-1	0	315.337	0.658	20	30		DCEDRM
C=CCOc1cc(OC)ccc1C(=O)[N-]S(=O)(=O)N(C)C	ZINC001116633356	765889963	/nfs/dbraw/zinc/88/99/63/765889963.db2.gz	ZSRGBJHQVYWYQF-UHFFFAOYSA-N	-1	0	314.363	0.796	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1	ZINC001117986435	766188228	/nfs/dbraw/zinc/18/82/28/766188228.db2.gz	PMCOMRYRSNGHCK-LBPRGKRZSA-N	-1	0	312.366	0.551	20	30		DCEDRM
C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001118480606	766327945	/nfs/dbraw/zinc/32/79/45/766327945.db2.gz	HWSXEXCWZAQFRF-VIFPVBQESA-N	-1	0	321.337	0.402	20	30		DCEDRM
[NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)c1cc[nH]c1	ZINC001146891037	767555578	/nfs/dbraw/zinc/55/55/78/767555578.db2.gz	FHVDKVKUFNIABN-SECBINFHSA-N	-1	0	323.311	0.171	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N(CCOC)CCC(=O)[O-]	ZINC001121816693	767641777	/nfs/dbraw/zinc/64/17/77/767641777.db2.gz	CQYMEYZAXVAMIC-NEPJUHHUSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C#CCCCCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001121817219	767641818	/nfs/dbraw/zinc/64/18/18/767641818.db2.gz	KXKUQCLYUYMFKJ-LBPRGKRZSA-N	-1	0	309.366	0.555	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCCOCC1	ZINC001122602188	767840772	/nfs/dbraw/zinc/84/07/72/767840772.db2.gz	NLDFSDCSJLPDRM-UHFFFAOYSA-N	-1	0	304.354	0.305	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCn1cccnc1=O	ZINC001140127856	768514407	/nfs/dbraw/zinc/51/44/07/768514407.db2.gz	NVGQZEWODWFGTR-UHFFFAOYSA-N	-1	0	313.317	0.344	20	30		DCEDRM
Cc1cc(NC(=O)c2c[n-]n3c2nccc3=O)n(CCC#N)n1	ZINC001142034425	768607779	/nfs/dbraw/zinc/60/77/79/768607779.db2.gz	VLZOWHVHYMEDFN-UHFFFAOYSA-N	-1	0	311.305	0.694	20	30		DCEDRM
N#Cc1cccc(-c2ccc(OC(=O)[C@@H](O)CC(=O)[O-])nn2)c1	ZINC001233943990	769505226	/nfs/dbraw/zinc/50/52/26/769505226.db2.gz	UMGFPSVIWWLSMK-LBPRGKRZSA-N	-1	0	313.269	0.756	20	30		DCEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1c([O-])c(=O)c(=O)c(=O)c1=O	ZINC001234378022	769642275	/nfs/dbraw/zinc/64/22/75/769642275.db2.gz	HGVDFXLIFKYPNQ-UTLUCORTSA-N	-1	0	306.314	0.468	20	30		DCEDRM
N#Cc1cnc(NC(=O)Cc2nnn[n-]2)c(Br)c1	ZINC001176838538	770185197	/nfs/dbraw/zinc/18/51/97/770185197.db2.gz	ZDBBXLCOFACRKP-UHFFFAOYSA-N	-1	0	308.099	0.410	20	30		DCEDRM
N#Cc1cccc2c1CC[C@H]2NC(=O)Cn1nn[n-]c1=S	ZINC001177743547	770542703	/nfs/dbraw/zinc/54/27/03/770542703.db2.gz	OCIPYZNLZSIJGJ-LLVKDONJSA-N	-1	0	300.347	0.637	20	30		DCEDRM
CC(C)c1ccc(C#N)c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1	ZINC001157067563	771526355	/nfs/dbraw/zinc/52/63/55/771526355.db2.gz	HLGVGXYDOYFFEE-KWQFWETISA-N	-1	0	324.362	0.891	20	30		DCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc(N2C[C@@H](F)C[C@H]2C#N)nc1	ZINC001157481389	771617734	/nfs/dbraw/zinc/61/77/34/771617734.db2.gz	RUCWOMPHPSDIJI-UWVGGRQHSA-N	-1	0	312.326	0.347	20	30		DCEDRM
N#C[C@H](Cc1ccc(O)cc1)C(=O)NC1C(=O)N=CN=C1[O-]	ZINC001183605488	771673915	/nfs/dbraw/zinc/67/39/15/771673915.db2.gz	NPAADZMAWOWWGG-VIFPVBQESA-N	-1	0	300.274	0.914	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cn3ccsc3n2)c(C#N)c1=O	ZINC001184673362	771809142	/nfs/dbraw/zinc/80/91/42/771809142.db2.gz	LFELNFLCXJWKSU-UHFFFAOYSA-N	-1	0	302.319	0.267	20	30		DCEDRM
CSc1ncc([O-])c(C(=O)N=C(NC#N)c2ccncc2)n1	ZINC001185185251	771875088	/nfs/dbraw/zinc/87/50/88/771875088.db2.gz	DNTSZIQYQZREFJ-UHFFFAOYSA-N	-1	0	314.330	0.957	20	30		DCEDRM
COc1ccc(S(=O)(=O)N2CC[C@H](C#N)C2)cc1C(=O)[O-]	ZINC001185295868	771901863	/nfs/dbraw/zinc/90/18/63/771901863.db2.gz	NFIOJYBYFDZNDK-SECBINFHSA-N	-1	0	310.331	0.928	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2ccc(-n3cncn3)cc2)c(C#N)c1=O	ZINC001185421330	771913284	/nfs/dbraw/zinc/91/32/84/771913284.db2.gz	SHWUNUXREVMANR-UHFFFAOYSA-N	-1	0	310.273	0.318	20	30		DCEDRM
N#Cc1cc(F)c(Cl)nc1Nc1c([S-])[nH]c(=O)[nH]c1=O	ZINC001160848244	772122504	/nfs/dbraw/zinc/12/25/04/772122504.db2.gz	VRKMSXBDHCGAQW-RXMQYKEDSA-N	-1	0	313.701	0.693	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001189242033	772441664	/nfs/dbraw/zinc/44/16/64/772441664.db2.gz	CWGYWVSCVREORP-VXGBXAGGSA-N	-1	0	323.397	0.524	20	30		DCEDRM
N#CCCN1CCN(C(=O)c2ccccc2S(=O)(=O)[O-])CC1	ZINC001189684344	772512945	/nfs/dbraw/zinc/51/29/45/772512945.db2.gz	XSKXDVIZRMQPHA-UHFFFAOYSA-N	-1	0	323.374	0.605	20	30		DCEDRM
COc1nc(S(=O)(=O)[N-]c2c(C#N)cnn2C)ccc1F	ZINC001190061108	772580389	/nfs/dbraw/zinc/58/03/89/772580389.db2.gz	JIYHWBGGJXVBCY-UHFFFAOYSA-N	-1	0	311.298	0.635	20	30		DCEDRM
COC(=O)[C@H](CS)[N-]S(=O)(=O)c1ncc(F)cc1F	ZINC001190193140	772598097	/nfs/dbraw/zinc/59/80/97/772598097.db2.gz	YFHULSNANPKVCJ-ZETCQYMHSA-N	-1	0	312.319	0.110	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)c1ncc(F)cc1F)C(=O)OC	ZINC001190207988	772607329	/nfs/dbraw/zinc/60/73/29/772607329.db2.gz	CRWZXIGFKIKNCW-VIFPVBQESA-N	-1	0	304.274	0.203	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)[N-]c2oncc2C(N)=O)c1	ZINC001190619647	772645904	/nfs/dbraw/zinc/64/59/04/772645904.db2.gz	XTYQDMYVJYMLCU-UHFFFAOYSA-N	-1	0	310.266	0.585	20	30		DCEDRM
C=CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1	ZINC001190718363	772663883	/nfs/dbraw/zinc/66/38/83/772663883.db2.gz	FRHGUGJETFIDNK-JTQLQIEISA-N	-1	0	314.367	0.475	20	30		DCEDRM
N#CC1(CNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1	ZINC001192743749	772951331	/nfs/dbraw/zinc/95/13/31/772951331.db2.gz	RGUJNBSANJLWAE-UHFFFAOYSA-N	-1	0	310.331	0.732	20	30		DCEDRM
CC(C)(C)OC[C@H]([N-]S(=O)(=O)CC#N)C(=O)OC(C)(C)C	ZINC001192933174	772982916	/nfs/dbraw/zinc/98/29/16/772982916.db2.gz	GWRZGLPSWAEQLM-JTQLQIEISA-N	-1	0	320.411	0.955	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1c(C#N)cnn1C1CCOCC1	ZINC001193107401	773006620	/nfs/dbraw/zinc/00/66/20/773006620.db2.gz	VJJVNJFHHOQZGB-SECBINFHSA-N	-1	0	309.351	0.760	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cncc(N2CC[NH+](C)CC2)c1	ZINC001193111464	773006947	/nfs/dbraw/zinc/00/69/47/773006947.db2.gz	IDNWFHSXLMHEJT-NSHDSACASA-N	-1	0	309.395	0.487	20	30		DCEDRM
CCOC(=O)[C@H]1COCCN1C(=O)c1cccc(C#N)c1[O-]	ZINC001193646875	773097777	/nfs/dbraw/zinc/09/77/77/773097777.db2.gz	PLTHOSNYVTXMCN-GFCCVEGCSA-N	-1	0	304.302	0.668	20	30		DCEDRM
CC[N@H+](CCOCCO)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001193743411	773104066	/nfs/dbraw/zinc/10/40/66/773104066.db2.gz	NAIZMYFTLRDYEB-UHFFFAOYSA-N	-1	0	305.338	0.137	20	30		DCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)c1ccccc1N	ZINC001193895786	773126504	/nfs/dbraw/zinc/12/65/04/773126504.db2.gz	KSMKSLVESXEQKT-UHFFFAOYSA-N	-1	0	314.330	0.984	20	30		DCEDRM
Cn1[n-]c(C(=O)Nc2c(C#N)cnc3c(C#N)cnn32)cc1=O	ZINC001194189431	773161716	/nfs/dbraw/zinc/16/17/16/773161716.db2.gz	XXSXMYRENHUGQK-UHFFFAOYSA-N	-1	0	308.261	0.164	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC001152128485	773188569	/nfs/dbraw/zinc/18/85/69/773188569.db2.gz	KJTOAGPRDKGZCX-UHFFFAOYSA-N	-1	0	307.262	0.829	20	30		DCEDRM
N#C[C@@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1Cl)C(N)=O	ZINC001197765794	773791694	/nfs/dbraw/zinc/79/16/94/773791694.db2.gz	JEKASCPSBLOALM-MRVPVSSYSA-N	-1	0	322.173	0.790	20	30		DCEDRM
C=CCOC(=O)c1c(N)nn(-c2cnc(F)c(C(=O)[O-])c2)c1N	ZINC001215103157	774040792	/nfs/dbraw/zinc/04/07/92/774040792.db2.gz	NCJSANZSJKRKJT-UHFFFAOYSA-N	-1	0	321.268	0.612	20	30		DCEDRM
Cc1ccc(S(=O)(=O)Nc2c([O-])nc[nH]c2=O)cc1C#N	ZINC001201295616	774484142	/nfs/dbraw/zinc/48/41/42/774484142.db2.gz	WOXHCUFYOVEDKL-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001222072725	775262666	/nfs/dbraw/zinc/26/26/66/775262666.db2.gz	VZGCDDJHSGYFRD-QJPTWQEYSA-N	-1	0	321.381	0.134	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1COC(=O)[C@@H](O)CC(=O)[O-]	ZINC001224172664	775542992	/nfs/dbraw/zinc/54/29/92/775542992.db2.gz	WLQOWAOXSYUDRO-NSHDSACASA-N	-1	0	307.258	0.224	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCCN1CCCCO1	ZINC001224295779	775555509	/nfs/dbraw/zinc/55/55/09/775555509.db2.gz	YHPCQHMNVHZVSE-CYBMUJFWSA-N	-1	0	323.411	0.880	20	30		DCEDRM
CCOC(=O)[C@H](C#C[Si](C)(C)C)OCCS(=O)(=O)[O-]	ZINC001224572098	775585982	/nfs/dbraw/zinc/58/59/82/775585982.db2.gz	RAWYHKXOLZVUSB-JTQLQIEISA-N	-1	0	308.428	0.703	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncnc2[nH]ccc21	ZINC001226043883	775758882	/nfs/dbraw/zinc/75/88/82/775758882.db2.gz	JJVGNVLGYRSNCP-VIFPVBQESA-N	-1	0	313.335	0.796	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c(O)cccc1O	ZINC001227031348	775916096	/nfs/dbraw/zinc/91/60/96/775916096.db2.gz	LOTNZERWEARQNF-VIFPVBQESA-N	-1	0	304.320	0.936	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](Oc2nc(=O)[n-]c(=O)[nH]2)C[C@H]1C#N	ZINC001227569532	775986731	/nfs/dbraw/zinc/98/67/31/775986731.db2.gz	CMJHTMTVFATDOR-JGVFFNPUSA-N	-1	0	323.309	0.563	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c(C)ncnc1C	ZINC001228854735	776131684	/nfs/dbraw/zinc/13/16/84/776131684.db2.gz	VQKSDGRUPFOLAC-NSHDSACASA-N	-1	0	302.352	0.931	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(OC)ncn1	ZINC001230026092	776244943	/nfs/dbraw/zinc/24/49/43/776244943.db2.gz	VXKJMRXQTDNIEW-VIFPVBQESA-N	-1	0	304.324	0.323	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@]1(COC)C(=O)[O-]	ZINC001602755651	1169178727	/nfs/dbraw/zinc/17/87/27/1169178727.db2.gz	ZDKWOJJXJLUDIG-WFASDCNBSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C#CCN1CC[C@@]2(CCCN2C(=O)c2cc([O-])[nH]c(=O)c2)C1=O	ZINC001269381063	940695729	/nfs/dbraw/zinc/69/57/29/940695729.db2.gz	DRZHZMBORXEPAU-INIZCTEOSA-N	-1	0	315.329	0.333	20	30		DCEDRM
C=CCN1CC[C@@]2(CCCN(C(=O)Cc3nnn[n-]3)CC2)C1=O	ZINC001269576567	940735034	/nfs/dbraw/zinc/73/50/34/940735034.db2.gz	PIFLDLUSTVKAFY-HNNXBMFYSA-N	-1	0	318.381	0.159	20	30		DCEDRM
CN(CCCNC(=O)C1CCC1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001610935137	970796115	/nfs/dbraw/zinc/79/61/15/970796115.db2.gz	ZXSLURWBSFWRBJ-HNNXBMFYSA-N	-1	0	309.366	0.756	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCc2onc(C(=O)[N-]c3nnco3)c2C1	ZINC001271209987	941322987	/nfs/dbraw/zinc/32/29/87/941322987.db2.gz	AQWLVZYITHGBOQ-SSDOTTSWSA-N	-1	0	316.277	0.354	20	30		DCEDRM
CCOC(=O)c1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)o1	ZINC001412869983	942116995	/nfs/dbraw/zinc/11/69/95/942116995.db2.gz	KFIDBEMWSMRHBG-UHFFFAOYSA-N	-1	0	318.289	0.327	20	30		DCEDRM
CC(=O)c1ccccc1NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001412921253	942139174	/nfs/dbraw/zinc/13/91/74/942139174.db2.gz	IJOLCXRZAOXFKW-UHFFFAOYSA-N	-1	0	312.285	0.250	20	30		DCEDRM
CSc1nnc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])s1	ZINC001611093198	970888452	/nfs/dbraw/zinc/88/84/52/970888452.db2.gz	BYUVIRYNTDOOJB-JTQLQIEISA-N	-1	0	300.365	0.881	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N(C)Cc2nc(=O)o[n-]2)c1	ZINC001413183673	942548889	/nfs/dbraw/zinc/54/88/89/942548889.db2.gz	OMMFVQVAMMIJQZ-UHFFFAOYSA-N	-1	0	301.306	0.573	20	30		DCEDRM
CCCC[C@@H](Sc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC	ZINC001365227395	942701387	/nfs/dbraw/zinc/70/13/87/942701387.db2.gz	MRIALRRSRZBAEB-SECBINFHSA-N	-1	0	311.363	0.769	20	30		DCEDRM
C#CCN1C(=O)COCC12CN(C(=O)c1cccc([S-])c1)C2	ZINC001272379269	942726495	/nfs/dbraw/zinc/72/64/95/942726495.db2.gz	LJZVHPNOGBUVPH-UHFFFAOYSA-N	-1	0	316.382	0.662	20	30		DCEDRM
C=CCOCCCC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001483859195	942985667	/nfs/dbraw/zinc/98/56/67/942985667.db2.gz	RSWOCAZUQZOOOL-UHFFFAOYSA-N	-1	0	309.370	0.136	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001484238720	943240608	/nfs/dbraw/zinc/24/06/08/943240608.db2.gz	LESVHQQMIXGDAC-GJZGRUSLSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001317368551	944942743	/nfs/dbraw/zinc/94/27/43/944942743.db2.gz	ABRYNLQZZIQDFJ-NSHDSACASA-N	-1	0	309.370	0.136	20	30		DCEDRM
CCN(CC#N)C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC001318474646	945377705	/nfs/dbraw/zinc/37/77/05/945377705.db2.gz	RVKDYMXWODKEQY-UHFFFAOYSA-N	-1	0	312.333	0.862	20	30		DCEDRM
C=CC[C@@H]([N-]S(=O)(=O)Cc1cc(C)no1)C(=O)OCC	ZINC001320265537	945795511	/nfs/dbraw/zinc/79/55/11/945795511.db2.gz	KKFDVYSUTGWXPG-LLVKDONJSA-N	-1	0	302.352	0.910	20	30		DCEDRM
C#CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001494686350	945797369	/nfs/dbraw/zinc/79/73/69/945797369.db2.gz	UCZSVNLJBUJBBV-UWVGGRQHSA-N	-1	0	317.311	0.362	20	30		DCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)CC(F)(F)F	ZINC001253113460	946059278	/nfs/dbraw/zinc/05/92/78/946059278.db2.gz	RAAMBPMJOABNQM-UHFFFAOYSA-N	-1	0	305.241	0.905	20	30		DCEDRM
C=C[C@@H](O)CNc1ccc(S(=O)(=O)[N-]C(=O)OC)cc1	ZINC001253594453	946139261	/nfs/dbraw/zinc/13/92/61/946139261.db2.gz	VAQSFRICBZYSDH-SNVBAGLBSA-N	-1	0	300.336	0.690	20	30		DCEDRM
C=CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-]	ZINC001321166162	946197253	/nfs/dbraw/zinc/19/72/53/946197253.db2.gz	AMPPLVKZXOQHRM-NSHDSACASA-N	-1	0	302.286	0.672	20	30		DCEDRM
COC(=O)c1ccccc1S(=O)(=O)[N-]c1ncn(C)c1C#N	ZINC001253964578	946212308	/nfs/dbraw/zinc/21/23/08/946212308.db2.gz	VHTMZKWSCOWILA-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
Cc1nc2cc[n-]n2c(=O)c1CC(=O)OCCO[C@@H](C)C#N	ZINC001321292727	946257414	/nfs/dbraw/zinc/25/74/14/946257414.db2.gz	BSYWCEQUOFRTML-VIFPVBQESA-N	-1	0	304.306	0.345	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@@H](CCCn1cc(C#N)nn1)C(=O)[O-]	ZINC001254085728	946310567	/nfs/dbraw/zinc/31/05/67/946310567.db2.gz	DMBSEFUIQZIKKM-JTQLQIEISA-N	-1	0	309.326	0.908	20	30		DCEDRM
C#CCOCCOCCOCc1cn(C2(C(=O)[O-])CC2)nn1	ZINC001254095051	946313373	/nfs/dbraw/zinc/31/33/73/946313373.db2.gz	HKIZIGBZNCBCTL-UHFFFAOYSA-N	-1	0	309.322	0.035	20	30		DCEDRM
C#C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ccccc1	ZINC001602673491	971240414	/nfs/dbraw/zinc/24/04/14/971240414.db2.gz	VDBXGKUPEUUPEL-KBPBESRZSA-N	-1	0	314.341	0.800	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](NC(=O)c1ccccn1)C(C)C	ZINC001602679208	971259217	/nfs/dbraw/zinc/25/92/17/971259217.db2.gz	LBFZHAXNMNYRCF-CQSZACIVSA-N	-1	0	317.345	0.382	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](CS(C)(=O)=O)c1ccccc1	ZINC001602679426	971260259	/nfs/dbraw/zinc/26/02/59/971260259.db2.gz	PSMVEUOIECMMDG-CYBMUJFWSA-N	-1	0	323.370	0.361	20	30		DCEDRM
C=CC[C@H](NC(=O)c1cnc2scc(C)n2c1=O)C(=O)[O-]	ZINC001322599794	946740028	/nfs/dbraw/zinc/74/00/28/946740028.db2.gz	LBFZGDYYWNBNGZ-VIFPVBQESA-N	-1	0	307.331	0.824	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1c(C)oc2ncn(C)c(=O)c21)C(=O)[O-]	ZINC001322602543	946743755	/nfs/dbraw/zinc/74/37/55/946743755.db2.gz	WEWOXNWSAUSXSW-MRVPVSSYSA-N	-1	0	305.290	0.594	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2nccnc2C(N)=O)cc1	ZINC001258039632	946793564	/nfs/dbraw/zinc/79/35/64/946793564.db2.gz	WGGPHZBKPJGPGT-UHFFFAOYSA-N	-1	0	303.303	0.248	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2scnc2C(N)=O)cc1	ZINC001258045672	946796060	/nfs/dbraw/zinc/79/60/60/946796060.db2.gz	UUQPSEBRBGWXRX-UHFFFAOYSA-N	-1	0	308.344	0.914	20	30		DCEDRM
COC(=O)c1cncc([N-]S(=O)(=O)c2ccccc2C#N)n1	ZINC001258201573	946808871	/nfs/dbraw/zinc/80/88/71/946808871.db2.gz	IHSLHQAKLJTZHJ-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccccc1SCC(N)=O	ZINC001602688714	971292813	/nfs/dbraw/zinc/29/28/13/971292813.db2.gz	UUXSRVFTJJXOJO-UHFFFAOYSA-N	-1	0	321.358	0.816	20	30		DCEDRM
Cn1cnc([N-]S(=O)(=O)c2cccc(C#N)c2)c2ncnc1-2	ZINC001259117460	946915115	/nfs/dbraw/zinc/91/51/15/946915115.db2.gz	VLZDMQGMORMMKQ-UHFFFAOYSA-N	-1	0	314.330	0.987	20	30		DCEDRM
Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC001259117715	946915593	/nfs/dbraw/zinc/91/55/93/946915593.db2.gz	BFNJYPQJNIVVIE-UHFFFAOYSA-N	-1	0	305.319	0.191	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2cnc(C(N)=O)cn2)c1	ZINC001259118156	946916001	/nfs/dbraw/zinc/91/60/01/946916001.db2.gz	FJKYBBBHKGKQKS-UHFFFAOYSA-N	-1	0	303.303	0.248	20	30		DCEDRM
Cc1cnn(CCO)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC001259413278	946955950	/nfs/dbraw/zinc/95/59/50/946955950.db2.gz	AKYOIZJLBYJJFN-UHFFFAOYSA-N	-1	0	324.337	0.995	20	30		DCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cn1	ZINC001259843399	946997864	/nfs/dbraw/zinc/99/78/64/946997864.db2.gz	QVVMQYKXPNCACS-UHFFFAOYSA-N	-1	0	304.287	0.878	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)C1CCOCC1	ZINC001259919468	947021058	/nfs/dbraw/zinc/02/10/58/947021058.db2.gz	WCOORLKOMFZAAG-UHFFFAOYSA-N	-1	0	314.323	0.290	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2nc[nH]c2C)n1CCOC	ZINC001602699227	971316799	/nfs/dbraw/zinc/31/67/99/971316799.db2.gz	OSLDHVJJOUODEO-UHFFFAOYSA-N	-1	0	318.337	0.147	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)C=C)n1C[C@H]1CCCO1	ZINC001602700598	971319153	/nfs/dbraw/zinc/31/91/53/971319153.db2.gz	AQUZDRFGFBBHRC-NEPJUHHUSA-N	-1	0	320.349	0.201	20	30		DCEDRM
Cc1cnc(COCC(=O)[N-]S(=O)(=O)CCCC#N)o1	ZINC001323560167	947127703	/nfs/dbraw/zinc/12/77/03/947127703.db2.gz	DYYLRSGJSWPIGJ-UHFFFAOYSA-N	-1	0	301.324	0.249	20	30		DCEDRM
C[C@H]1CN(O)C(=O)[C@H]1NS(=O)(=O)Cc1ccccc1Cl	ZINC001260698379	947140175	/nfs/dbraw/zinc/14/01/75/947140175.db2.gz	ANPHSYCWCCJPBF-KWQFWETISA-N	-1	0	318.782	0.996	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N(CCOC)CCC(=O)[O-])CC1	ZINC001602704483	971335214	/nfs/dbraw/zinc/33/52/14/971335214.db2.gz	HQWIBCAWSLFZJH-JOCQHMNTSA-N	-1	0	324.377	0.244	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](C)c2cnccn2)n1CC	ZINC001602701096	971326245	/nfs/dbraw/zinc/32/62/45/971326245.db2.gz	VYFJSEORZLRRNG-LLVKDONJSA-N	-1	0	314.349	0.764	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602718853	971378259	/nfs/dbraw/zinc/37/82/59/971378259.db2.gz	XBYCGKLSPQXVSI-HFXYEQLZSA-N	-1	0	312.366	0.635	20	30		DCEDRM
C=CCCS(=O)(=O)N[C@@H](CCC(=O)[O-])CN1CCOCC1	ZINC001261888448	947472612	/nfs/dbraw/zinc/47/26/12/947472612.db2.gz	PXQNGFUHFKANBF-LBPRGKRZSA-N	-1	0	320.411	0.048	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)Cn2cc(C3CC3)nn2)CC1	ZINC001324618664	947481089	/nfs/dbraw/zinc/48/10/89/947481089.db2.gz	MBVUEGXQWYRXRH-UHFFFAOYSA-N	-1	0	310.379	0.710	20	30		DCEDRM
C=CCn1c([C@H](O)COC)nnc1N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC001602729655	971399675	/nfs/dbraw/zinc/39/96/75/971399675.db2.gz	ADINRIRUTILGQY-QJPTWQEYSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)N2CCOCC2)cc1	ZINC001193139984	948006356	/nfs/dbraw/zinc/00/63/56/948006356.db2.gz	PCKXYBUMOIJFMD-NSHDSACASA-N	-1	0	323.374	0.813	20	30		DCEDRM
N#Cc1ncc(N2CC[C@H](c3cnccn3)C2)nc1-c1nnn[n-]1	ZINC001570923247	948658292	/nfs/dbraw/zinc/65/82/92/948658292.db2.gz	VZLVFBOXKJPGFO-VIFPVBQESA-N	-1	0	320.320	0.312	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@]2(C)CCCOC2)n1	ZINC001264028188	948839295	/nfs/dbraw/zinc/83/92/95/948839295.db2.gz	MWENUNAZPGVSKP-MRXNPFEDSA-N	-1	0	318.377	0.338	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](n2ccnn2)CC1	ZINC001602779071	971514088	/nfs/dbraw/zinc/51/40/88/971514088.db2.gz	QUJZDKCQIKJRJO-BXUZGUMPSA-N	-1	0	305.338	0.836	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc2cnccc21	ZINC000092479603	949152442	/nfs/dbraw/zinc/15/24/42/949152442.db2.gz	VZGJKEBJIQTZIK-UHFFFAOYSA-N	-1	0	304.327	0.943	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)[C@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC001602796303	971560510	/nfs/dbraw/zinc/56/05/10/971560510.db2.gz	XQIHGEBVUGEKJY-KWQFWETISA-N	-1	0	319.273	0.641	20	30		DCEDRM
CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364480590	949392834	/nfs/dbraw/zinc/39/28/34/949392834.db2.gz	VRMBFAIUDKIURJ-STQMWFEESA-N	-1	0	317.349	0.542	20	30		DCEDRM
C#CCN(CCS(=O)(=O)c1ccc(C#N)cc1)CC(=O)[O-]	ZINC000163340702	949396100	/nfs/dbraw/zinc/39/61/00/949396100.db2.gz	NHKBEHIZMRQUIY-UHFFFAOYSA-N	-1	0	306.343	0.352	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCC[C@H]2OC)n1	ZINC001489076650	949469801	/nfs/dbraw/zinc/46/98/01/949469801.db2.gz	OZGGIYRLUJCCBE-QWHCGFSZSA-N	-1	0	318.377	0.336	20	30		DCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H](O)c1cccc(F)c1	ZINC001364543960	949528726	/nfs/dbraw/zinc/52/87/26/949528726.db2.gz	SDZVDXNHSQVDHE-QPUJVOFHSA-N	-1	0	318.308	0.618	20	30		DCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@H](O)c1cccc(F)c1	ZINC001364543956	949531088	/nfs/dbraw/zinc/53/10/88/949531088.db2.gz	SDZVDXNHSQVDHE-PELKAZGASA-N	-1	0	318.308	0.618	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](CO)c2cc(F)ccc2F)c(C#N)c1=O	ZINC001364587921	949595603	/nfs/dbraw/zinc/59/56/03/949595603.db2.gz	DIJFCYHDCKNZSD-LLVKDONJSA-N	-1	0	322.271	0.369	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)[O-])cn1	ZINC000228697337	949635194	/nfs/dbraw/zinc/63/51/94/949635194.db2.gz	BYSQDYZROYCUTH-LLVKDONJSA-N	-1	0	309.347	0.971	20	30		DCEDRM
C=CCN(CC=C)C(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1	ZINC001329833510	949906904	/nfs/dbraw/zinc/90/69/04/949906904.db2.gz	IMLDVRRAEANWIH-UHFFFAOYSA-N	-1	0	317.271	0.640	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC[C@@H]2C[C@H]2C2CC2)c(=O)[n-]c1=O	ZINC001364842901	950051645	/nfs/dbraw/zinc/05/16/45/950051645.db2.gz	LWWBFCANBFBLSB-PWSUYJOCSA-N	-1	0	302.334	0.373	20	30		DCEDRM
COC(=O)[C@](C)(CO)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC001364862492	950095550	/nfs/dbraw/zinc/09/55/50/950095550.db2.gz	QFLZRNAKMXZVQN-LBPRGKRZSA-N	-1	0	318.395	0.304	20	30		DCEDRM
CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001331524133	951156133	/nfs/dbraw/zinc/15/61/33/951156133.db2.gz	SFDVMGVRPXJVAT-LLVKDONJSA-N	-1	0	303.384	0.287	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CN(C)Cc1ccccc1)C(=O)[O-]	ZINC001332147187	951498896	/nfs/dbraw/zinc/49/88/96/951498896.db2.gz	DJDLFLCWXLOHQB-AWEZNQCLSA-N	-1	0	306.362	0.890	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1	ZINC001332627216	951728973	/nfs/dbraw/zinc/72/89/73/951728973.db2.gz	FJXZMIXNPJEFLA-UHFFFAOYSA-N	-1	0	306.322	0.346	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(CCC(N)=O)cc1	ZINC001332628184	951730405	/nfs/dbraw/zinc/73/04/05/951730405.db2.gz	OECCSXJNBOHLLA-UHFFFAOYSA-N	-1	0	305.334	0.667	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1	ZINC001332946004	951861285	/nfs/dbraw/zinc/86/12/85/951861285.db2.gz	RJCCPPBWHGQCMJ-NWDGAFQWSA-N	-1	0	312.366	0.263	20	30		DCEDRM
C=C(C)CN1CC[C@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O	ZINC001275464164	952167610	/nfs/dbraw/zinc/16/76/10/952167610.db2.gz	DNUUUGHFTPVPES-CQSZACIVSA-N	-1	0	324.406	0.741	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCc2ccc(F)cc2)c(=O)[n-]c1=O	ZINC001411604930	952316618	/nfs/dbraw/zinc/31/66/18/952316618.db2.gz	SMDSCLMTNJVBQH-UHFFFAOYSA-N	-1	0	316.292	0.319	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCc2ccccc2)c(=O)[n-]c1=O	ZINC001411613270	952324573	/nfs/dbraw/zinc/32/45/73/952324573.db2.gz	ZQADKPMTLRKVTK-UHFFFAOYSA-N	-1	0	312.329	0.570	20	30		DCEDRM
C=C(C)C[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])CCOC2)CC1	ZINC001334962006	952424302	/nfs/dbraw/zinc/42/43/02/952424302.db2.gz	HNDQPNDCAGNMNN-OAHLLOKOSA-N	-1	0	311.382	0.570	20	30		DCEDRM
COc1ccnc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001411986991	952583553	/nfs/dbraw/zinc/58/35/53/952583553.db2.gz	NFSYVOKBNCOYBA-UHFFFAOYSA-N	-1	0	315.289	0.253	20	30		DCEDRM
COCC[C@@](C)(C#N)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001336307986	952675703	/nfs/dbraw/zinc/67/57/03/952675703.db2.gz	JZAYEWIHNPFYEA-HNNXBMFYSA-N	-1	0	308.382	0.810	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cc(CC3CC3)[nH]n2)c(=O)[n-]c1=O	ZINC001412491978	952842504	/nfs/dbraw/zinc/84/25/04/952842504.db2.gz	OSPXSVHOUVDANA-UHFFFAOYSA-N	-1	0	314.305	0.135	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@H]2CCCNC2=O)cc1C#N	ZINC001412524678	952865511	/nfs/dbraw/zinc/86/55/11/952865511.db2.gz	GAADXTRECFXOKE-MRVPVSSYSA-N	-1	0	320.374	0.637	20	30		DCEDRM
COC[C@@H](NC(=O)c1ccc(C#N)cc1OC)c1nnn[n-]1	ZINC001412608322	952934485	/nfs/dbraw/zinc/93/44/85/952934485.db2.gz	ONWQKNZFFLQAGT-SNVBAGLBSA-N	-1	0	302.294	0.197	20	30		DCEDRM
CCC(C#N)(CC)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001412790736	953094067	/nfs/dbraw/zinc/09/40/67/953094067.db2.gz	AAHDPTWFVGTLPZ-UHFFFAOYSA-N	-1	0	315.333	0.534	20	30		DCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCCOCC1	ZINC001340480692	953172164	/nfs/dbraw/zinc/17/21/64/953172164.db2.gz	PGQCXBQRUIIMCZ-UHFFFAOYSA-N	-1	0	304.354	0.797	20	30		DCEDRM
CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1	ZINC001341882386	953256116	/nfs/dbraw/zinc/25/61/16/953256116.db2.gz	CPMODVURQHDPJA-NSHDSACASA-N	-1	0	300.318	0.386	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(CCCCO)C1CC1	ZINC001342242201	953278247	/nfs/dbraw/zinc/27/82/47/953278247.db2.gz	WECQEGRWGSMNPZ-UHFFFAOYSA-N	-1	0	318.381	0.429	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCc2ncncc2C1	ZINC001343386967	953342483	/nfs/dbraw/zinc/34/24/83/953342483.db2.gz	OZUGVDDLGXNZOI-PWSUYJOCSA-N	-1	0	309.329	0.907	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1c[nH]c2cnccc12	ZINC001343960787	953400424	/nfs/dbraw/zinc/40/04/24/953400424.db2.gz	KHGFTHQPBYOGID-UHFFFAOYSA-N	-1	0	306.347	0.855	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnc2c(cnn2C)c1	ZINC001345751914	953715418	/nfs/dbraw/zinc/71/54/18/953715418.db2.gz	SDHUZCVDLQRNCB-UHFFFAOYSA-N	-1	0	310.335	0.230	20	30		DCEDRM
CN(CC(=O)[O-])Cc1cn(CCOc2cccc(C#N)c2)nn1	ZINC001593722591	954262048	/nfs/dbraw/zinc/26/20/48/954262048.db2.gz	MFXDJODPQFISTI-UHFFFAOYSA-N	-1	0	315.333	0.745	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1	ZINC001593733305	954330085	/nfs/dbraw/zinc/33/00/85/954330085.db2.gz	VJGBOAPJNAOVRR-LBPRGKRZSA-N	-1	0	315.329	0.844	20	30		DCEDRM
C#CCCCCC(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001284226747	954942101	/nfs/dbraw/zinc/94/21/01/954942101.db2.gz	YJUUBOYMIHUMDI-SNVBAGLBSA-N	-1	0	306.366	0.852	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001593835558	955177821	/nfs/dbraw/zinc/17/78/21/955177821.db2.gz	BBUPBXZJQOTDBF-WDEREUQCSA-N	-1	0	312.322	0.172	20	30		DCEDRM
C=CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccccn2)C1)C(=O)[O-]	ZINC001350759788	955183302	/nfs/dbraw/zinc/18/33/02/955183302.db2.gz	UWEAPPHAPNHRTF-VXGBXAGGSA-N	-1	0	304.350	0.989	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-]	ZINC001284999668	955404089	/nfs/dbraw/zinc/40/40/89/955404089.db2.gz	CBVWECBHIJHMQO-QWRGUYRKSA-N	-1	0	320.349	0.052	20	30		DCEDRM
Cn1c(-c2ccc(C#N)[nH]2)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001594513574	955408023	/nfs/dbraw/zinc/40/80/23/955408023.db2.gz	WGKUJOZTOLPPCH-AWEZNQCLSA-N	-1	0	300.322	0.983	20	30		DCEDRM
Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)NCCCC#N)C2)cn1	ZINC001594539172	955614378	/nfs/dbraw/zinc/61/43/78/955614378.db2.gz	HVRJNATYQHDENY-RYUDHWBXSA-N	-1	0	319.365	0.924	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)NC3CCCCC3)C2)c(=O)[n-]c1=O	ZINC001367337218	955660390	/nfs/dbraw/zinc/66/03/90/955660390.db2.gz	QHCVOAHWPPWFQT-UHFFFAOYSA-N	-1	0	317.349	0.720	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)[C@@H](C#N)C(=O)N(C)Cc1ccccc1	ZINC001593901054	955868930	/nfs/dbraw/zinc/86/89/30/955868930.db2.gz	QNLHZZZSTMVJID-DGCLKSJQSA-N	-1	0	304.302	0.453	20	30		DCEDRM
N#CC1CCC(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1	ZINC001594605712	956170465	/nfs/dbraw/zinc/17/04/65/956170465.db2.gz	JFHIKCPGYKERPV-BPCQOVAHSA-N	-1	0	321.377	0.756	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1	ZINC001594606260	956180131	/nfs/dbraw/zinc/18/01/31/956180131.db2.gz	QVYZHKQHFUUQLM-OAHLLOKOSA-N	-1	0	303.318	0.945	20	30		DCEDRM
CO[C@H](CC(C)C)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001593938404	956248468	/nfs/dbraw/zinc/24/84/68/956248468.db2.gz	MXOSKWHGEGBVMJ-LLVKDONJSA-N	-1	0	309.322	0.027	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)NC2(C(=O)[O-])CCOCC2)cc1	ZINC001594617734	956253832	/nfs/dbraw/zinc/25/38/32/956253832.db2.gz	JOTWTEVISFILKM-LBPRGKRZSA-N	-1	0	304.302	0.342	20	30		DCEDRM
N#Cc1ccc(NCC(=O)Nc2ccn(CC(=O)[O-])n2)nc1	ZINC001594622839	956293721	/nfs/dbraw/zinc/29/37/21/956293721.db2.gz	MDPBJUNDXJDHFU-UHFFFAOYSA-N	-1	0	300.278	0.285	20	30		DCEDRM
N#Cc1ccc(OCCCN2CCN(C(=O)C(=O)[O-])CC2)cc1	ZINC001594623983	956300237	/nfs/dbraw/zinc/30/02/37/956300237.db2.gz	MAZOOCHYYSSZQU-UHFFFAOYSA-N	-1	0	317.345	0.556	20	30		DCEDRM
N#Cc1ccc(OCCN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1	ZINC001594624119	956302155	/nfs/dbraw/zinc/30/21/55/956302155.db2.gz	QKHXLYDJEOVRMR-ZDUSSCGKSA-N	-1	0	324.358	0.121	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CNc2ccn(CC(=O)[O-])n2)c1	ZINC001594625672	956311799	/nfs/dbraw/zinc/31/17/99/956311799.db2.gz	NEKWSLYMJGEQMF-UHFFFAOYSA-N	-1	0	313.317	0.568	20	30		DCEDRM
N#Cc1csc(CN[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1	ZINC001594634087	956361875	/nfs/dbraw/zinc/36/18/75/956361875.db2.gz	CJRQRJOHEVZYLU-SNVBAGLBSA-N	-1	0	308.363	0.570	20	30		DCEDRM
N#Cc1ncn(-c2ccccc2NC(=O)c2cc(C(=O)[O-])n[nH]2)n1	ZINC001594635767	956371452	/nfs/dbraw/zinc/37/14/52/956371452.db2.gz	UOAFPSIMSMDFOT-UHFFFAOYSA-N	-1	0	323.272	0.813	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccn(CCC#N)n2)C1	ZINC001593964278	956528274	/nfs/dbraw/zinc/52/82/74/956528274.db2.gz	IUDNRWUGUJVCAV-CQSZACIVSA-N	-1	0	321.337	0.752	20	30		DCEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1ccc(C(=O)NO)cc1	ZINC001589217617	956737247	/nfs/dbraw/zinc/73/72/47/956737247.db2.gz	MEUUMKHYRCGYOC-OAHLLOKOSA-N	-1	0	306.318	0.923	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001594274249	957704596	/nfs/dbraw/zinc/70/45/96/957704596.db2.gz	VVZUPBQRFJOHSW-UHFFFAOYSA-N	-1	0	301.302	0.236	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC001588389263	958005813	/nfs/dbraw/zinc/00/58/13/958005813.db2.gz	QDXWZZNWYMLXAC-ZDUSSCGKSA-N	-1	0	324.377	0.244	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)OC	ZINC001588389599	958010506	/nfs/dbraw/zinc/01/05/06/958010506.db2.gz	XNNCFPPOJSSCAX-GFCCVEGCSA-N	-1	0	305.286	0.445	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588391577	958025694	/nfs/dbraw/zinc/02/56/94/958025694.db2.gz	JMNYXWKKZINSMU-SNVBAGLBSA-N	-1	0	322.292	0.353	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1	ZINC001588394531	958034225	/nfs/dbraw/zinc/03/42/25/958034225.db2.gz	FUMIJFJFFLDTFZ-UHFFFAOYSA-N	-1	0	313.313	0.961	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)ncc1C#N	ZINC001594314292	958055890	/nfs/dbraw/zinc/05/58/90/958055890.db2.gz	HSUWWIQWWMFVDD-GXSJLCMTSA-N	-1	0	316.317	0.570	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@]1(C(=O)OC)C[C@H]1c1ccccc1	ZINC001588397556	958059080	/nfs/dbraw/zinc/05/90/80/958059080.db2.gz	LXAKJZXOXZZVJA-SUMWQHHRSA-N	-1	0	315.325	0.880	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1ccc(C=O)cc1OC	ZINC001588407121	958097435	/nfs/dbraw/zinc/09/74/35/958097435.db2.gz	HJXFWRJJOPNRAN-UHFFFAOYSA-N	-1	0	305.286	0.433	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ncc(C)c(OC)c1C	ZINC001588408808	958117764	/nfs/dbraw/zinc/11/77/64/958117764.db2.gz	GEGHWENVBIDSPT-UHFFFAOYSA-N	-1	0	305.334	0.936	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cccnc1OCCOC	ZINC001588408832	958118407	/nfs/dbraw/zinc/11/84/07/958118407.db2.gz	HJSAVJNHPVWNMX-UHFFFAOYSA-N	-1	0	321.333	0.336	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC001588409326	958126514	/nfs/dbraw/zinc/12/65/14/958126514.db2.gz	FNHJTEWTARFDKL-SNVBAGLBSA-N	-1	0	313.354	0.629	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](CCOC)Cc1ccco1	ZINC001588410489	958139504	/nfs/dbraw/zinc/13/95/04/958139504.db2.gz	VVSMUUYLGYPCST-GFCCVEGCSA-N	-1	0	308.334	0.957	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C(=O)NC)cc1OC	ZINC001588411189	958147800	/nfs/dbraw/zinc/14/78/00/958147800.db2.gz	PWSKLGDDHCUPBH-UHFFFAOYSA-N	-1	0	319.317	0.607	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2C[C@@H]3C[C@H](O)[C@@H]3C2)n1C	ZINC001588426861	958235584	/nfs/dbraw/zinc/23/55/84/958235584.db2.gz	DZUJECYMNREPFC-KXNHARMFSA-N	-1	0	304.350	0.214	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCC(=O)N[C@@H]2C)n1CC	ZINC001588427011	958239012	/nfs/dbraw/zinc/23/90/12/958239012.db2.gz	JYSCMIIYPJVGSA-GHMZBOCLSA-N	-1	0	319.365	0.204	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@]2(O)CCOC2)n1CC(C)C	ZINC001588427368	958244002	/nfs/dbraw/zinc/24/40/02/958244002.db2.gz	VIYDVLSCGHZXOZ-OAHLLOKOSA-N	-1	0	322.365	0.066	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001588453169	958433766	/nfs/dbraw/zinc/43/37/66/958433766.db2.gz	RQXJVWIZULEQKQ-LLVKDONJSA-N	-1	0	306.318	0.685	20	30		DCEDRM
Cc1cccc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001361889807	958453385	/nfs/dbraw/zinc/45/33/85/958453385.db2.gz	SODHXWFDVLACBO-UHFFFAOYSA-N	-1	0	312.329	0.836	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)C(=O)NC[C@@H](CC)C(=O)[O-])CC1	ZINC001588458653	958465014	/nfs/dbraw/zinc/46/50/14/958465014.db2.gz	XHEVEHBUTAMAHL-LLVKDONJSA-N	-1	0	312.366	0.143	20	30		DCEDRM
N#CCn1cc(NC(=O)c2nc[n-]c(=O)c2Br)cn1	ZINC001361923161	958491576	/nfs/dbraw/zinc/49/15/76/958491576.db2.gz	MDAUGYZAKULCTK-UHFFFAOYSA-N	-1	0	323.110	0.917	20	30		DCEDRM
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588470331	958525583	/nfs/dbraw/zinc/52/55/83/958525583.db2.gz	JWYUUWIHFDDLTP-JTQLQIEISA-N	-1	0	302.338	0.776	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)c3c[n-]ncc3=O)CC2)nc1	ZINC001361955483	958536872	/nfs/dbraw/zinc/53/68/72/958536872.db2.gz	CULYDMVKMYZTRM-UHFFFAOYSA-N	-1	0	310.317	0.411	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1cc(C#N)[nH]c1C)[C@@H](C)C(=O)[O-]	ZINC001588507536	958741156	/nfs/dbraw/zinc/74/11/56/958741156.db2.gz	IOXYYRIPLOWZPF-VIFPVBQESA-N	-1	0	306.322	0.246	20	30		DCEDRM
CCC(=O)N1CC[C@@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362142043	958810914	/nfs/dbraw/zinc/81/09/14/958810914.db2.gz	WWCPYKWPIXLZJL-LLVKDONJSA-N	-1	0	302.334	0.708	20	30		DCEDRM
CC1(C)CCC[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362203210	958921406	/nfs/dbraw/zinc/92/14/06/958921406.db2.gz	SCAIWJDDHFSCRZ-NSHDSACASA-N	-1	0	304.350	0.906	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1C)C(=O)[O-]	ZINC000149557339	959018288	/nfs/dbraw/zinc/01/82/88/959018288.db2.gz	XOCHVZURQGVHDP-LBPRGKRZSA-N	-1	0	309.343	0.605	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cn1cnc2sccc2c1=O)C(=O)[O-]	ZINC000149787376	959027513	/nfs/dbraw/zinc/02/75/13/959027513.db2.gz	PBRWQGIUXDDZLW-SECBINFHSA-N	-1	0	305.315	0.051	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-]	ZINC000159592198	959122319	/nfs/dbraw/zinc/12/23/19/959122319.db2.gz	KDVLSFLXZJYRKP-CYBMUJFWSA-N	-1	0	308.359	0.356	20	30		DCEDRM
CC[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001362355680	959202141	/nfs/dbraw/zinc/20/21/41/959202141.db2.gz	GMEHYMNXFISNQY-QMMMGPOBSA-N	-1	0	318.255	0.668	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)NCCCCCC(=O)[O-])ccc1C#N	ZINC001594456812	959424611	/nfs/dbraw/zinc/42/46/11/959424611.db2.gz	NXMZFWVGPLIIEK-UHFFFAOYSA-N	-1	0	318.333	0.961	20	30		DCEDRM
C[C@]1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCCS1	ZINC001362557964	959593002	/nfs/dbraw/zinc/59/30/02/959593002.db2.gz	KSAOYSVOIYPMNZ-CYBMUJFWSA-N	-1	0	308.363	0.222	20	30		DCEDRM
N#Cc1ccc(CCNC(=O)CSc2n[nH]c(=O)[n-]2)cc1	ZINC001362666168	959796541	/nfs/dbraw/zinc/79/65/41/959796541.db2.gz	NYZJSUCOEANVCR-UHFFFAOYSA-N	-1	0	303.347	0.833	20	30		DCEDRM
Cc1onc(CC(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)c1C#N	ZINC001362941476	960207023	/nfs/dbraw/zinc/20/70/23/960207023.db2.gz	RWHQIPBRPGLPNG-LLVKDONJSA-N	-1	0	319.321	0.977	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C2=CCCCCC2)c(=O)[n-]c1=O	ZINC001363130563	960446858	/nfs/dbraw/zinc/44/68/58/960446858.db2.gz	YTLYDUOVOAQGMM-UHFFFAOYSA-N	-1	0	302.334	0.827	20	30		DCEDRM
N#Cc1c(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)nc2n1CCOC2	ZINC001574240813	960462576	/nfs/dbraw/zinc/46/25/76/960462576.db2.gz	BJLRBVSQEQOKMD-DTWKUNHWSA-N	-1	0	304.306	0.724	20	30		DCEDRM
CC(C)(C)[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001363142804	960468407	/nfs/dbraw/zinc/46/84/07/960468407.db2.gz	VJBXRNFBLPTPOF-LLVKDONJSA-N	-1	0	320.349	0.094	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1	ZINC001574245273	960489634	/nfs/dbraw/zinc/48/96/34/960489634.db2.gz	JRYUOQRIRQKIAY-OLZOCXBDSA-N	-1	0	315.329	0.658	20	30		DCEDRM
CCCC(=O)N1CCC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363156376	960499889	/nfs/dbraw/zinc/49/98/89/960499889.db2.gz	RYICTQCAWSQOIS-LLVKDONJSA-N	-1	0	300.322	0.883	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ncc(Br)cn2)[n-]c1C#N	ZINC001363157940	960502468	/nfs/dbraw/zinc/50/24/68/960502468.db2.gz	MYDDLRXTXGXVBI-UHFFFAOYSA-N	-1	0	318.094	0.958	20	30		DCEDRM
C[C@H]1CC[C@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001363284379	960786325	/nfs/dbraw/zinc/78/63/25/960786325.db2.gz	CDIXOYQSQPFPKX-XYPYZODXSA-N	-1	0	304.350	0.763	20	30		DCEDRM
CS[C@H](C)CCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363289517	960802935	/nfs/dbraw/zinc/80/29/35/960802935.db2.gz	YGYZNNMWAVKGHH-SECBINFHSA-N	-1	0	310.379	0.468	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H]2CCNC(=O)[C@H]21	ZINC001363335618	960923918	/nfs/dbraw/zinc/92/39/18/960923918.db2.gz	AQDVSACLYNRQTE-MFKMUULPSA-N	-1	0	314.345	0.708	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(CCO)C[C@H]1C	ZINC001363439957	961160476	/nfs/dbraw/zinc/16/04/76/961160476.db2.gz	HQASMCQTMBZPBQ-LLVKDONJSA-N	-1	0	304.350	0.106	20	30		DCEDRM
CC[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)N1CCO[C@@H](CC)C1	ZINC001363467327	961217393	/nfs/dbraw/zinc/21/73/93/961217393.db2.gz	UHSKZBOWKDFJQK-GWCFXTLKSA-N	-1	0	316.365	0.981	20	30		DCEDRM
N#CC1(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)CCOCC1	ZINC001571111142	961326684	/nfs/dbraw/zinc/32/66/84/961326684.db2.gz	FOZGOQLFFUNOPX-LLVKDONJSA-N	-1	0	311.338	0.192	20	30		DCEDRM
N#CC1(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCOCC1	ZINC001571111145	961326741	/nfs/dbraw/zinc/32/67/41/961326741.db2.gz	FOZGOQLFFUNOPX-NSHDSACASA-N	-1	0	311.338	0.192	20	30		DCEDRM
N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@H](c3nnn[n-]3)C2)cc1	ZINC001363522938	961352362	/nfs/dbraw/zinc/35/23/62/961352362.db2.gz	HKXUPQTYGBTOBR-UONOGXRCSA-N	-1	0	321.344	0.770	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)c(=O)[n-]c1=O	ZINC001363588533	961502299	/nfs/dbraw/zinc/50/22/99/961502299.db2.gz	DCQJRHNYTJJEIE-GVXVVHGQSA-N	-1	0	316.361	0.763	20	30		DCEDRM
CC(C)c1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001363616682	961557556	/nfs/dbraw/zinc/55/75/56/961557556.db2.gz	RUECRZZUVPBFGZ-UHFFFAOYSA-N	-1	0	313.317	0.978	20	30		DCEDRM
CC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCCCO1	ZINC001363695116	961711889	/nfs/dbraw/zinc/71/18/89/961711889.db2.gz	JJKQZCCMSFAKHL-NWDGAFQWSA-N	-1	0	320.349	0.284	20	30		DCEDRM
C[C@@H]1CN(CCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCO1	ZINC001571166318	962002158	/nfs/dbraw/zinc/00/21/58/962002158.db2.gz	VJAPMRZGJBWEHZ-GFCCVEGCSA-N	-1	0	324.381	0.107	20	30		DCEDRM
N#Cc1ccc(N2CCN(S(=O)(=O)c3ncc[n-]3)CC2)cn1	ZINC001364064605	962403927	/nfs/dbraw/zinc/40/39/27/962403927.db2.gz	CFPMZMDMOSHIBE-UHFFFAOYSA-N	-1	0	318.362	0.187	20	30		DCEDRM
C#CC[C@@H](NC(=O)/C=C/c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC001573303453	962676771	/nfs/dbraw/zinc/67/67/71/962676771.db2.gz	XPZHSLMNNLNRPL-OKPNEXGHSA-N	-1	0	314.297	0.623	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC001573313668	962734991	/nfs/dbraw/zinc/73/49/91/962734991.db2.gz	ORWMPOHUXUHGOR-AWEZNQCLSA-N	-1	0	309.343	0.438	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001573320875	962753454	/nfs/dbraw/zinc/75/34/54/962753454.db2.gz	FYZCATBLZITWKV-WPRPVWTQSA-N	-1	0	315.351	0.367	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1nnn(-c2ccn(C)n2)c1C)C(=O)[O-]	ZINC001573323923	962778728	/nfs/dbraw/zinc/77/87/28/962778728.db2.gz	JFLAQWSKOGXMNW-JTQLQIEISA-N	-1	0	318.337	0.458	20	30		DCEDRM
C=C(C)CN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])nn2)C1	ZINC001573324634	962788865	/nfs/dbraw/zinc/78/88/65/962788865.db2.gz	WFPVVVSBWVTURJ-CHWSQXEVSA-N	-1	0	319.365	0.048	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O	ZINC001573332711	962840286	/nfs/dbraw/zinc/84/02/86/962840286.db2.gz	NORMPXDSCMRWFX-WDEREUQCSA-N	-1	0	318.395	0.242	20	30		DCEDRM
C=C(Cl)CN1CC2(C1)CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])CCO2	ZINC001573339341	962889227	/nfs/dbraw/zinc/88/92/27/962889227.db2.gz	QRCZXNJDRSJLKM-QWRGUYRKSA-N	-1	0	314.769	0.373	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(O)c1	ZINC001573346536	962938800	/nfs/dbraw/zinc/93/88/00/962938800.db2.gz	BOLBZMWYICXMHI-ZFWWWQNUSA-N	-1	0	309.318	0.970	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])C[C@H]1C	ZINC001573348302	962957026	/nfs/dbraw/zinc/95/70/26/962957026.db2.gz	UXXJZTXUQXAYSQ-UEKVPHQBSA-N	-1	0	311.382	0.819	20	30		DCEDRM
C=CCCC(=O)N1CCC(CO)(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573352696	962991825	/nfs/dbraw/zinc/99/18/25/962991825.db2.gz	HZNCUIJTZZEYQH-RYUDHWBXSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C(=O)OC	ZINC001573369404	963097180	/nfs/dbraw/zinc/09/71/80/963097180.db2.gz	SHLLYOSGOIECTJ-QJPTWQEYSA-N	-1	0	313.350	0.738	20	30		DCEDRM
C#CCCCC(=O)N1[C@H](C(=O)NCCC(=O)[O-])CS[C@H]1C	ZINC001588435570	964023739	/nfs/dbraw/zinc/02/37/39/964023739.db2.gz	UYRFWOLQVSRWTA-QWRGUYRKSA-N	-1	0	312.391	0.671	20	30		DCEDRM
C#CCCCCCC(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588440943	964048403	/nfs/dbraw/zinc/04/84/03/964048403.db2.gz	ZSUPEDWERXAUES-UONOGXRCSA-N	-1	0	320.389	0.865	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000316766947	964053898	/nfs/dbraw/zinc/05/38/98/964053898.db2.gz	JRQVVPJJXFRUSV-LBPRGKRZSA-N	-1	0	324.358	0.617	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001381757370	966665425	/nfs/dbraw/zinc/66/54/25/966665425.db2.gz	PMZJWOQLTDYOMI-MNOVXSKESA-N	-1	0	306.370	0.531	20	30		DCEDRM
CC#CC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001609645805	970434308	/nfs/dbraw/zinc/43/43/08/970434308.db2.gz	OXZMKOYEZHIYCA-JSGCOSHPSA-N	-1	0	300.314	0.553	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(C)(C)S(=O)(=O)CC1	ZINC001609691607	970450524	/nfs/dbraw/zinc/45/05/24/970450524.db2.gz	VRJFKYMVZAFPED-CYBMUJFWSA-N	-1	0	316.379	0.417	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000320331426	970650000	/nfs/dbraw/zinc/65/00/00/970650000.db2.gz	YQFFOLDABTYMEE-SECBINFHSA-N	-1	0	303.311	0.739	20	30		DCEDRM
CN(Cc1ncnn1CC(F)F)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001604194766	972628103	/nfs/dbraw/zinc/62/81/03/972628103.db2.gz	GHCZHXFCDAWUPC-GFCCVEGCSA-N	-1	0	315.280	0.506	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC000397037012	972960014	/nfs/dbraw/zinc/96/00/14/972960014.db2.gz	OJXYKBHNLQVSKB-QWHCGFSZSA-N	-1	0	309.366	0.172	20	30		DCEDRM
C[C@@H]1CCCC[C@@H]1Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001603404651	973054378	/nfs/dbraw/zinc/05/43/78/973054378.db2.gz	BNJYWGSJVIOLLH-GHMZBOCLSA-N	-1	0	305.334	0.793	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(C#N)cn2)C1	ZINC001604534806	973503405	/nfs/dbraw/zinc/50/34/05/973503405.db2.gz	YZMVXPUAJORQCK-AWEZNQCLSA-N	-1	0	304.306	0.908	20	30		DCEDRM
N#CCCCCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001605581583	973858463	/nfs/dbraw/zinc/85/84/63/973858463.db2.gz	CQBKVBFMERMCPM-LLVKDONJSA-N	-1	0	310.354	0.445	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1	ZINC001605581925	973862769	/nfs/dbraw/zinc/86/27/69/973862769.db2.gz	OLJREGKMLRLBEA-SNVBAGLBSA-N	-1	0	316.317	0.871	20	30		DCEDRM
N#CCCN1CCN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CC1	ZINC001605585609	973877878	/nfs/dbraw/zinc/87/78/78/973877878.db2.gz	HADYXZGIRQRTMT-OLZOCXBDSA-N	-1	0	309.366	0.314	20	30		DCEDRM
N#Cc1ccc(N2CCC(NC(=O)COCC(=O)[O-])CC2)nc1	ZINC001605611125	973914238	/nfs/dbraw/zinc/91/42/38/973914238.db2.gz	GSONDEWUEHYAHX-UHFFFAOYSA-N	-1	0	318.333	0.139	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CCCc2ccsc2)c1=O	ZINC001605622894	973944714	/nfs/dbraw/zinc/94/47/14/973944714.db2.gz	HYKRMVMAXCZLKH-UHFFFAOYSA-N	-1	0	319.342	0.661	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC001603736771	974176424	/nfs/dbraw/zinc/17/64/24/974176424.db2.gz	RFDSIKXHFAJULF-QWRGUYRKSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C=CCC(C)(C)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001528454150	1014300327	/nfs/dbraw/zinc/30/03/27/1014300327.db2.gz	JTDCDKZBXHTEMQ-UHFFFAOYSA-N	-1	0	323.353	0.073	20	30		DCEDRM
CC(C)n1cc(S(=O)(=O)N(CC#N)CCC(=O)[O-])cn1	ZINC001592131832	976970449	/nfs/dbraw/zinc/97/04/49/976970449.db2.gz	OZHDIOSWVPVUEZ-UHFFFAOYSA-N	-1	0	300.340	0.453	20	30		DCEDRM
C[C@](CC(=O)[O-])(NS(=O)(=O)c1cccnc1C#N)C1CC1	ZINC001592334433	977778425	/nfs/dbraw/zinc/77/84/25/977778425.db2.gz	QCIAVSWNMTXEOR-CYBMUJFWSA-N	-1	0	309.347	0.875	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C	ZINC000718157260	977960170	/nfs/dbraw/zinc/96/01/70/977960170.db2.gz	VYPHERSCLMWLSV-VIFPVBQESA-N	-1	0	301.295	0.105	20	30		DCEDRM
Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@@H](C#N)CO)n2)c1	ZINC001449516821	1014523803	/nfs/dbraw/zinc/52/38/03/1014523803.db2.gz	CYQLZOKZGLPXQM-VIFPVBQESA-N	-1	0	304.281	0.640	20	30		DCEDRM
CC[C@@](COC)(NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001595198160	979923325	/nfs/dbraw/zinc/92/33/25/979923325.db2.gz	BNKKFDNAZVTWGV-NSHDSACASA-N	-1	0	302.308	0.309	20	30		DCEDRM
C[C@@H](NC(=O)C#CC1CC1)[C@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001592967608	980093005	/nfs/dbraw/zinc/09/30/05/980093005.db2.gz	DQNOWOXHRWPBRS-ZJUUUORDSA-N	-1	0	302.334	0.893	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NCCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001523412347	1014696505	/nfs/dbraw/zinc/69/65/05/1014696505.db2.gz	NBOCESXBTYVKPR-NSHDSACASA-N	-1	0	322.365	0.040	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)COC(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001594905272	982384066	/nfs/dbraw/zinc/38/40/66/982384066.db2.gz	QJNJVEBGLWUJSW-UFBFGSQYSA-N	-1	0	308.290	0.924	20	30		DCEDRM
CC[C@@H](C)[C@H](NC(=O)COC(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001594905267	982384309	/nfs/dbraw/zinc/38/43/09/982384309.db2.gz	QJNJVEBGLWUJSW-PELKAZGASA-N	-1	0	308.290	0.924	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(F)(F)C1	ZINC001524241163	1014905297	/nfs/dbraw/zinc/90/52/97/1014905297.db2.gz	UYBRTMUWYPDSPL-UHFFFAOYSA-N	-1	0	310.308	0.924	20	30		DCEDRM
CCCNC(=O)CCCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001595920046	983028158	/nfs/dbraw/zinc/02/81/58/983028158.db2.gz	KFJXSQDIXDLARD-UHFFFAOYSA-N	-1	0	309.366	0.900	20	30		DCEDRM
C#CC1(NC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)CCCC1	ZINC001588375674	983346634	/nfs/dbraw/zinc/34/66/34/983346634.db2.gz	FQJQGXUACQJNJP-UHFFFAOYSA-N	-1	0	301.302	0.781	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)C1	ZINC001588382173	983369173	/nfs/dbraw/zinc/36/91/73/983369173.db2.gz	IOJHMNRDEYTZRR-LRDDRELGSA-N	-1	0	306.362	0.572	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])C1	ZINC001588382413	983371052	/nfs/dbraw/zinc/37/10/52/983371052.db2.gz	ORIKJUMBYATTMH-UHFFFAOYSA-N	-1	0	315.734	0.407	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC001588382389	983371258	/nfs/dbraw/zinc/37/12/58/983371258.db2.gz	OGEKOIDWCSICDI-WBMJQRKESA-N	-1	0	306.362	0.714	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588383530	983382041	/nfs/dbraw/zinc/38/20/41/983382041.db2.gz	CNFVEFFWAHRJAE-LLVKDONJSA-N	-1	0	301.364	0.295	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC001588384013	983386535	/nfs/dbraw/zinc/38/65/35/983386535.db2.gz	RYSJMOOFVAMGFZ-GFCCVEGCSA-N	-1	0	309.343	0.549	20	30		DCEDRM
C#CCC(CC#C)C(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001588389780	983387994	/nfs/dbraw/zinc/38/79/94/983387994.db2.gz	ASOKHACEAYJZJO-STQMWFEESA-N	-1	0	305.330	0.514	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588393140	983396518	/nfs/dbraw/zinc/39/65/18/983396518.db2.gz	BXLYPMQHAQHDHO-STQMWFEESA-N	-1	0	312.366	0.282	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001588396809	983409391	/nfs/dbraw/zinc/40/93/91/983409391.db2.gz	ZGDLJWJQJTZPDP-QWHCGFSZSA-N	-1	0	324.377	0.244	20	30		DCEDRM
C#CC[C@H](NC(=O)CCCNC(=O)c1cccnc1)C(=O)[O-]	ZINC001588405198	983420513	/nfs/dbraw/zinc/42/05/13/983420513.db2.gz	DVODMRGMLUXUOQ-LBPRGKRZSA-N	-1	0	303.318	0.184	20	30		DCEDRM
C#CC[C@@H](NC(=O)/C=C/c1ccc(S(C)(=O)=O)o1)C(=O)[O-]	ZINC001588405700	983422661	/nfs/dbraw/zinc/42/26/61/983422661.db2.gz	IFDLEXAXCZAQJC-BREXMAIKSA-N	-1	0	311.315	0.289	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cccc2c1O[C@@H](C)C(=O)N2)C(=O)[O-]	ZINC001588416540	983437152	/nfs/dbraw/zinc/43/71/52/983437152.db2.gz	PAPHVDQGOSYKGJ-KWQFWETISA-N	-1	0	302.286	0.612	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccnc(NC(=O)C(C)C)c1)C(=O)[O-]	ZINC001588417108	983438799	/nfs/dbraw/zinc/43/87/99/983438799.db2.gz	YGMXSGQAPIAFQF-LLVKDONJSA-N	-1	0	303.318	0.882	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc2c[nH]nc2cc1C)C(=O)[O-]	ZINC001588424117	983454915	/nfs/dbraw/zinc/45/49/15/983454915.db2.gz	SIYOIVNMBNWJHH-SNVBAGLBSA-N	-1	0	307.331	0.626	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc2c(c1)N(C)CC2)C(=O)[O-]	ZINC001588428398	983461685	/nfs/dbraw/zinc/46/16/85/983461685.db2.gz	NBNFRPZEIXSSHK-LBPRGKRZSA-N	-1	0	308.359	0.434	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc(OC)c1F)C(=O)[O-]	ZINC001588428660	983463081	/nfs/dbraw/zinc/46/30/81/983463081.db2.gz	WVNNLUVYAHIMHE-MRVPVSSYSA-N	-1	0	301.295	0.589	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588434657	983471299	/nfs/dbraw/zinc/47/12/99/983471299.db2.gz	PSOGFXWKOJZURH-SECBINFHSA-N	-1	0	310.331	0.275	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001588435173	983475104	/nfs/dbraw/zinc/47/51/04/983475104.db2.gz	FWRLVQUQRWTHQL-JTQLQIEISA-N	-1	0	315.322	0.577	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-]	ZINC001588464707	983494234	/nfs/dbraw/zinc/49/42/34/983494234.db2.gz	FDHJNEUHLBPTCL-UHFFFAOYSA-N	-1	0	321.354	0.579	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CCCC(=O)[O-]	ZINC001588468076	983500094	/nfs/dbraw/zinc/50/00/94/983500094.db2.gz	NMDMJCXGAWIXQB-UHFFFAOYSA-N	-1	0	319.379	0.458	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001588479245	983518297	/nfs/dbraw/zinc/51/82/97/983518297.db2.gz	FTCVOQWAIWVATF-MRVPVSSYSA-N	-1	0	320.257	0.588	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)CC1	ZINC001588479451	983519735	/nfs/dbraw/zinc/51/97/35/983519735.db2.gz	OQWASDNGWYHVHQ-UHFFFAOYSA-N	-1	0	303.318	0.315	20	30		DCEDRM
C#CCOCCC(=O)N[C@H](C)CN(C)c1ccnc(C(=O)[O-])n1	ZINC001588490004	983530193	/nfs/dbraw/zinc/53/01/93/983530193.db2.gz	PXLPTCRCQCMIAG-LLVKDONJSA-N	-1	0	320.349	0.156	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-]	ZINC001588490825	983534511	/nfs/dbraw/zinc/53/45/11/983534511.db2.gz	ZIQDQIWOZQXYIR-QMTHXVAHSA-N	-1	0	303.314	0.768	20	30		DCEDRM
C#CCOc1ccc(N2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)cc1	ZINC001588497922	983542032	/nfs/dbraw/zinc/54/20/32/983542032.db2.gz	LLUKHGBAPXHWSC-UPJWGTAASA-N	-1	0	314.297	0.844	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1	ZINC001588517351	983564470	/nfs/dbraw/zinc/56/44/70/983564470.db2.gz	QYDOVDHSCHGIKJ-OAHLLOKOSA-N	-1	0	304.277	0.632	20	30		DCEDRM
C#Cc1ccc(NC(=O)CCN2CCO[C@H](C(=O)[O-])C2)cc1	ZINC001588517343	983564475	/nfs/dbraw/zinc/56/44/75/983564475.db2.gz	QOLFMHOZCXPUTE-AWEZNQCLSA-N	-1	0	302.330	0.782	20	30		DCEDRM
C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)CCC(=O)[O-])c1	ZINC001588522408	983571212	/nfs/dbraw/zinc/57/12/12/983571212.db2.gz	WTVIWHSGTVKABO-UHFFFAOYSA-N	-1	0	324.358	0.025	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588524355	983574647	/nfs/dbraw/zinc/57/46/47/983574647.db2.gz	FXBOTYMXLAAOHX-AWEZNQCLSA-N	-1	0	324.340	0.974	20	30		DCEDRM
C#Cc1cncc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(=O)OC)c1	ZINC001588528604	983577053	/nfs/dbraw/zinc/57/70/53/983577053.db2.gz	CMMUHLXARLSTBT-DGCLKSJQSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1cncc(C(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])c1	ZINC001588529251	983580832	/nfs/dbraw/zinc/58/08/32/983580832.db2.gz	UQGPLOZZVCYRTK-DGCLKSJQSA-N	-1	0	316.313	0.541	20	30		DCEDRM
CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001596200391	983585618	/nfs/dbraw/zinc/58/56/18/983585618.db2.gz	ZOMGORSVPIBJRD-UHFFFAOYSA-N	-1	0	313.291	0.827	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C(=O)OC	ZINC001588540647	983604338	/nfs/dbraw/zinc/60/43/38/983604338.db2.gz	JPOOIHXCMQSAJR-TUAOUCFPSA-N	-1	0	313.350	0.880	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)[O-]	ZINC001588542980	983610395	/nfs/dbraw/zinc/61/03/95/983610395.db2.gz	USHSGVUVCAJBCB-SNVBAGLBSA-N	-1	0	323.349	0.387	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C(=O)OC	ZINC001588552869	983626952	/nfs/dbraw/zinc/62/69/52/983626952.db2.gz	DCFHOIGVJJCOAG-SNVBAGLBSA-N	-1	0	319.379	0.669	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1	ZINC001596231753	983627057	/nfs/dbraw/zinc/62/70/57/983627057.db2.gz	STGMBTIUECFMBL-DMDPSCGWSA-N	-1	0	317.411	0.755	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1	ZINC001596231755	983627073	/nfs/dbraw/zinc/62/70/73/983627073.db2.gz	STGMBTIUECFMBL-NQBHXWOUSA-N	-1	0	317.411	0.755	20	30		DCEDRM
C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)C(=O)NCC(=O)[O-]	ZINC001588567554	983646964	/nfs/dbraw/zinc/64/69/64/983646964.db2.gz	MPMRGLIQMBODKK-NSHDSACASA-N	-1	0	310.350	0.739	20	30		DCEDRM
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588578314	983657578	/nfs/dbraw/zinc/65/75/78/983657578.db2.gz	CIDQXRFUGPLFQQ-NSHDSACASA-N	-1	0	318.337	0.534	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588599196	983688688	/nfs/dbraw/zinc/68/86/88/983688688.db2.gz	IJXVIRSKRFSKOW-DDHJBXDOSA-N	-1	0	311.334	0.300	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](COC(C)C)C(=O)OC	ZINC001588606988	983699378	/nfs/dbraw/zinc/69/93/78/983699378.db2.gz	NYQHJUUHQMSYPM-NSHDSACASA-N	-1	0	301.339	0.832	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1	ZINC001588615611	983712901	/nfs/dbraw/zinc/71/29/01/983712901.db2.gz	ZWFNQJGYJSJHBS-CQSZACIVSA-N	-1	0	315.391	0.835	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC1CCN([C@H]2CCOC2=O)CC1	ZINC001588623600	983729056	/nfs/dbraw/zinc/72/90/56/983729056.db2.gz	TZCGBFHVACANJJ-LBPRGKRZSA-N	-1	0	310.350	0.304	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cc(S(N)(=O)=O)ccc1O	ZINC001588629356	983736824	/nfs/dbraw/zinc/73/68/24/983736824.db2.gz	IMTLVRLRLKJPCW-UHFFFAOYSA-N	-1	0	314.319	0.399	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCn1cnc(C(=O)OCC)c1	ZINC001588629824	983739388	/nfs/dbraw/zinc/73/93/88/983739388.db2.gz	KMOLPNFOGSOEIC-UHFFFAOYSA-N	-1	0	309.322	0.597	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1c[nH]c(C#N)c1	ZINC001596332264	983769958	/nfs/dbraw/zinc/76/99/58/983769958.db2.gz	HAARGJWXGUASTH-NWDGAFQWSA-N	-1	0	318.333	0.185	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])n1cc(CN2CCCC[C@H]2C(=O)OC)nn1	ZINC001588672545	983826072	/nfs/dbraw/zinc/82/60/72/983826072.db2.gz	VUJXPNQAUPAWMO-RYUDHWBXSA-N	-1	0	308.338	0.617	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1	ZINC001588673331	983829329	/nfs/dbraw/zinc/82/93/29/983829329.db2.gz	RGXBDULMEBBBAG-JTQLQIEISA-N	-1	0	322.365	0.088	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1	ZINC001588681476	983839729	/nfs/dbraw/zinc/83/97/29/983839729.db2.gz	XKTBHXPSOOTDOV-ABAIWWIYSA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)CCN(C)c1ccnc(C(=O)[O-])n1	ZINC001588683996	983854253	/nfs/dbraw/zinc/85/42/53/983854253.db2.gz	IPXYBENYASZWER-HNNXBMFYSA-N	-1	0	322.365	0.397	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001588753372	984084766	/nfs/dbraw/zinc/08/47/66/984084766.db2.gz	GNTSKGDAKAZDKZ-KOLCDFICSA-N	-1	0	307.306	0.346	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)C[C@H](C)C(=O)OC)C(=O)[O-]	ZINC001588797703	984230570	/nfs/dbraw/zinc/23/05/70/984230570.db2.gz	JTJCVIUKDDOQBY-UWVGGRQHSA-N	-1	0	307.368	0.524	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC001588798077	984233202	/nfs/dbraw/zinc/23/32/02/984233202.db2.gz	SQVSWZAHBFLQRS-MNOVXSKESA-N	-1	0	303.384	0.722	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC001588798079	984233282	/nfs/dbraw/zinc/23/32/82/984233282.db2.gz	SQVSWZAHBFLQRS-WDEREUQCSA-N	-1	0	303.384	0.722	20	30		DCEDRM
CCNc1ccc(C#N)cc1NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC001596501535	984256266	/nfs/dbraw/zinc/25/62/66/984256266.db2.gz	YZZOAACESMRHFN-UHFFFAOYSA-N	-1	0	314.305	0.918	20	30		DCEDRM
C=CCCn1cc(CN2C[C@@H](C(=O)OC)CC[C@H]2C(=O)[O-])nn1	ZINC001588819711	984278391	/nfs/dbraw/zinc/27/83/91/984278391.db2.gz	ANTMHKIOEZCPHG-AAEUAGOBSA-N	-1	0	322.365	0.692	20	30		DCEDRM
C=CCN(C(=O)C(=C)CCC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC001588820114	984282457	/nfs/dbraw/zinc/28/24/57/984282457.db2.gz	QUSJFECRNYQBPF-NSHDSACASA-N	-1	0	301.364	0.609	20	30		DCEDRM
C=CCN([C@H](C)COC)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001588820936	984287652	/nfs/dbraw/zinc/28/76/52/984287652.db2.gz	ZLSMZSISTXGEHT-MRVPVSSYSA-N	-1	0	317.367	0.628	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1	ZINC001588822272	984289103	/nfs/dbraw/zinc/28/91/03/984289103.db2.gz	CYTMXLCVDGODGT-QGZVFWFLSA-N	-1	0	316.357	0.886	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001588838890	984342540	/nfs/dbraw/zinc/34/25/40/984342540.db2.gz	LJXNUKBIOIKPJB-SNVBAGLBSA-N	-1	0	307.302	0.998	20	30		DCEDRM
C=CCNC(=O)CNC(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC001588844474	984358136	/nfs/dbraw/zinc/35/81/36/984358136.db2.gz	IKFKYEZRGWYEMC-UHFFFAOYSA-N	-1	0	309.297	0.877	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@H](N(C)c2ncc(C(=O)[O-])cn2)C1	ZINC001588849603	984372783	/nfs/dbraw/zinc/37/27/83/984372783.db2.gz	BSDBDCYSDNSVCB-LBPRGKRZSA-N	-1	0	320.349	0.415	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@@H](N(C)c2ncc(C(=O)[O-])cn2)C1	ZINC001588849602	984372812	/nfs/dbraw/zinc/37/28/12/984372812.db2.gz	BSDBDCYSDNSVCB-GFCCVEGCSA-N	-1	0	320.349	0.415	20	30		DCEDRM
C=CCOCC(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001588849947	984376899	/nfs/dbraw/zinc/37/68/99/984376899.db2.gz	QDSCNRBAMFGOEB-UHFFFAOYSA-N	-1	0	306.322	0.026	20	30		DCEDRM
C=CCOCC(=O)NC1CC(CNc2ccnc(C(=O)[O-])n2)C1	ZINC001588851107	984382883	/nfs/dbraw/zinc/38/28/83/984382883.db2.gz	UMQRVHSPIPCSPQ-UHFFFAOYSA-N	-1	0	320.349	0.106	20	30		DCEDRM
C=CCOC[C@H](NC(=O)/C=C/CN(C)CC(F)(F)F)C(=O)[O-]	ZINC001588854199	984388645	/nfs/dbraw/zinc/38/86/45/984388645.db2.gz	QQQQGMMJWXXWLH-YEZKRMTDSA-N	-1	0	324.299	0.809	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CNC(=O)c2ccccc21)C(=O)[O-]	ZINC001588856196	984397624	/nfs/dbraw/zinc/39/76/24/984397624.db2.gz	WEIXJGBPYMROBP-QWHCGFSZSA-N	-1	0	318.329	0.286	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@]12CCC[C@@]1(OC)OCC2)C(=O)[O-]	ZINC001588856285	984398832	/nfs/dbraw/zinc/39/88/32/984398832.db2.gz	GKXVUZAOVUIJCO-KCPJHIHWSA-N	-1	0	313.350	0.692	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C(=O)OC	ZINC001588856921	984402538	/nfs/dbraw/zinc/40/25/38/984402538.db2.gz	SHLLYOSGOIECTJ-GRYCIOLGSA-N	-1	0	313.350	0.738	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc2n(n1)CCCC2=O)C(=O)[O-]	ZINC001588859716	984407608	/nfs/dbraw/zinc/40/76/08/984407608.db2.gz	UTENNCXUNAZWTF-SNVBAGLBSA-N	-1	0	307.306	0.245	20	30		DCEDRM
C=CCOC[C@@H](NCc1ncc(C(=O)OC)s1)C(=O)[O-]	ZINC001588865922	984421287	/nfs/dbraw/zinc/42/12/87/984421287.db2.gz	FAYWAQJBOPHIBQ-MRVPVSSYSA-N	-1	0	300.336	0.675	20	30		DCEDRM
C=CCOCc1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1CC=C	ZINC001588868362	984432024	/nfs/dbraw/zinc/43/20/24/984432024.db2.gz	ASDUIQQAVOEQBD-LLVKDONJSA-N	-1	0	308.338	0.457	20	30		DCEDRM
C=CCOCc1nnc(N2CCO[C@H](C(=O)[O-])C2)n1CC(=C)C	ZINC001588868580	984433858	/nfs/dbraw/zinc/43/38/58/984433858.db2.gz	LNBRFXXCIJHQTB-LBPRGKRZSA-N	-1	0	322.365	0.847	20	30		DCEDRM
C=CCn1c(-c2ncn(C)n2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588891054	984486537	/nfs/dbraw/zinc/48/65/37/984486537.db2.gz	CDVCBMCJXBSMJC-VIFPVBQESA-N	-1	0	303.326	0.171	20	30		DCEDRM
C=CCn1c(C)nnc1S(=O)(=O)Cc1cccc(C(=O)[O-])n1	ZINC001588896297	984500298	/nfs/dbraw/zinc/50/02/98/984500298.db2.gz	IEEBVPVELGFXCN-UHFFFAOYSA-N	-1	0	322.346	0.840	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC001588925348	984586261	/nfs/dbraw/zinc/58/62/61/984586261.db2.gz	PGZUQSVORNQFOQ-VIFPVBQESA-N	-1	0	315.322	0.577	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC001588926287	984592556	/nfs/dbraw/zinc/59/25/56/984592556.db2.gz	PSZLUPWCIJDSSU-GFCCVEGCSA-N	-1	0	320.345	0.967	20	30		DCEDRM
CCOC(=O)NCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001596659566	984713210	/nfs/dbraw/zinc/71/32/10/984713210.db2.gz	UZGSBQGOQBKVMJ-LBPRGKRZSA-N	-1	0	306.274	0.973	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001599942377	985470543	/nfs/dbraw/zinc/47/05/43/985470543.db2.gz	HPJXOHMUNKRKCO-LBPRGKRZSA-N	-1	0	319.317	0.817	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])n2C)C[C@@H](C)N1CC#N	ZINC001594492461	985602307	/nfs/dbraw/zinc/60/23/07/985602307.db2.gz	AMKAKFYGYPHOJV-GHMZBOCLSA-N	-1	0	304.350	0.782	20	30		DCEDRM
Cc1c(Br)c(C(=O)N(CC#N)CC(=O)[O-])nn1C	ZINC001599970288	985994240	/nfs/dbraw/zinc/99/42/40/985994240.db2.gz	PNCNFNACOHUHGJ-UHFFFAOYSA-N	-1	0	315.127	0.541	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001589328247	986156670	/nfs/dbraw/zinc/15/66/70/986156670.db2.gz	ACSSSKMKNVUKMG-KOLCDFICSA-N	-1	0	303.322	0.419	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@](C)(CNc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001589329014	986159700	/nfs/dbraw/zinc/15/97/00/986159700.db2.gz	HNOWYNKIALVZRY-BJOHPYRUSA-N	-1	0	317.349	0.453	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001589328988	986159816	/nfs/dbraw/zinc/15/98/16/986159816.db2.gz	HGATWGLSDYSBPO-GXSJLCMTSA-N	-1	0	303.322	0.737	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC1CC(CNc2ccnc(C(=O)[O-])n2)C1	ZINC001589329872	986168261	/nfs/dbraw/zinc/16/82/61/986168261.db2.gz	VHXZRYZDHQFXGV-IDKOKCKLSA-N	-1	0	303.322	0.063	20	30		DCEDRM
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCSC[C@@H]1CC(=O)[O-]	ZINC001589388798	986498749	/nfs/dbraw/zinc/49/87/49/986498749.db2.gz	QKSUWHJXKUXSHG-QWRGUYRKSA-N	-1	0	311.407	0.829	20	30		DCEDRM
C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001589444146	986793688	/nfs/dbraw/zinc/79/36/88/986793688.db2.gz	DPSKIKSPAYAWAD-RAIGVLPGSA-N	-1	0	317.345	0.653	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC001589559112	987312898	/nfs/dbraw/zinc/31/28/98/987312898.db2.gz	ZYHIOKBYMKLZAC-NSHDSACASA-N	-1	0	318.395	0.822	20	30		DCEDRM
CC(C)(C#N)c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC001589560961	987318160	/nfs/dbraw/zinc/31/81/60/987318160.db2.gz	VMMFCMSEQZVPOH-NSHDSACASA-N	-1	0	312.347	0.212	20	30		DCEDRM
CC(C)(C)[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001589712639	987848202	/nfs/dbraw/zinc/84/82/02/987848202.db2.gz	CXQUWEIPXKWOIO-OWRWYXLESA-N	-1	0	323.349	0.518	20	30		DCEDRM
CC(C)(C)N1CCC[C@H](C(=O)N(CC#N)CCC(=O)[O-])C1=O	ZINC001589818887	988276723	/nfs/dbraw/zinc/27/67/23/988276723.db2.gz	YOLNGRKXOLOYOJ-LLVKDONJSA-N	-1	0	309.366	0.850	20	30		DCEDRM
CC(C)(C)OC(=O)NCCOCCN(CC#N)CCC(=O)[O-]	ZINC001590201303	989567505	/nfs/dbraw/zinc/56/75/05/989567505.db2.gz	SOJYOQHYZUAZIT-UHFFFAOYSA-N	-1	0	315.370	0.828	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](CNC(=O)[C@@H](C)C#N)CC(C)C)c1[O-]	ZINC001391400385	990805680	/nfs/dbraw/zinc/80/56/80/990805680.db2.gz	ROYCWFNWSAFGIO-GXSJLCMTSA-N	-1	0	321.381	0.844	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(C(=O)[O-])[nH]1	ZINC001590961141	991055699	/nfs/dbraw/zinc/05/56/99/991055699.db2.gz	LWXWXDCQRDBWLH-AWEZNQCLSA-N	-1	0	307.306	0.924	20	30		DCEDRM
CN(CCN(C)c1ncccc1C#N)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001598487328	992223219	/nfs/dbraw/zinc/22/32/19/992223219.db2.gz	KUGNNKHSQUUJAW-NEPJUHHUSA-N	-1	0	302.334	0.569	20	30		DCEDRM
CC(C)N(CCN(C)C(=O)C#CC1CC1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001591590620	992800379	/nfs/dbraw/zinc/80/03/79/992800379.db2.gz	AIAJEXXDFVGHLQ-ZIAGYGMSSA-N	-1	0	320.389	0.816	20	30		DCEDRM
CC(C)N(CCCNC(=O)C#CC1CC1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001591591431	992808397	/nfs/dbraw/zinc/80/83/97/992808397.db2.gz	VPKYQHBCXXDRQA-KGLIPLIRSA-N	-1	0	320.389	0.864	20	30		DCEDRM
CN1CCN(c2ncc(CN(CC#N)CCC(=O)[O-])cn2)CC1	ZINC001598622888	994034897	/nfs/dbraw/zinc/03/48/97/994034897.db2.gz	JQBCYYUNDMTWQG-UHFFFAOYSA-N	-1	0	318.381	0.029	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001573379461	1163420497	/nfs/dbraw/zinc/42/04/97/1163420497.db2.gz	IUCSPJBBYSVCNV-KXNHARMFSA-N	-1	0	303.380	0.893	20	30		DCEDRM
CC#CCCCC(=O)NC[C@H]1CCCCN1C(=O)CNC(=O)[O-]	ZINC001573385097	1163419662	/nfs/dbraw/zinc/41/96/62/1163419662.db2.gz	UZYKFFXCUVIXQP-CYBMUJFWSA-N	-1	0	323.393	0.945	20	30		DCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccc(F)c(F)c1	ZINC001464472723	1015910866	/nfs/dbraw/zinc/91/08/66/1015910866.db2.gz	MBIHHAWGNWEBPI-UHFFFAOYSA-N	-1	0	320.255	0.762	20	30		DCEDRM
COC(=O)[C@H](CCC(=O)[O-])N1CCC2(CC1)CC(=O)C=CO2	ZINC001598697715	995168527	/nfs/dbraw/zinc/16/85/27/995168527.db2.gz	HTTWLZYDIIUVRM-LBPRGKRZSA-N	-1	0	311.334	0.731	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C#N)c1)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001598713488	995376145	/nfs/dbraw/zinc/37/61/45/995376145.db2.gz	OZQXMPFCYYVIEX-LEWSCRJBSA-N	-1	0	318.329	0.946	20	30		DCEDRM
C[C@@H](OC(=O)c1ccc(C#N)[nH]1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001593573041	995670329	/nfs/dbraw/zinc/67/03/29/995670329.db2.gz	NITBZYVUFIDSHS-SECBINFHSA-N	-1	0	319.317	0.755	20	30		DCEDRM
CC#CCCCC(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001502564634	1015971774	/nfs/dbraw/zinc/97/17/74/1015971774.db2.gz	TXYZRNXLOGBBJG-SNVBAGLBSA-N	-1	0	306.366	0.852	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cncc(C#N)c1	ZINC001598761303	995780320	/nfs/dbraw/zinc/78/03/20/995780320.db2.gz	QZBKSRRLHZMJTQ-OLZOCXBDSA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2cccc(C#N)c2C)C[C@@H]1C(=O)[O-]	ZINC001598820124	996316280	/nfs/dbraw/zinc/31/62/80/996316280.db2.gz	FRZMOYPBUZJSJU-STQMWFEESA-N	-1	0	316.313	0.813	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])C1	ZINC001593739617	996353592	/nfs/dbraw/zinc/35/35/92/996353592.db2.gz	JBZSZHMRBDJCJB-IAQYHMDHSA-N	-1	0	307.350	0.604	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)o2)C1	ZINC001599078608	996940780	/nfs/dbraw/zinc/94/07/80/996940780.db2.gz	IGPGQEJZFNEXHE-LLVKDONJSA-N	-1	0	300.292	0.015	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)CCCCC#N	ZINC001598893329	997032374	/nfs/dbraw/zinc/03/23/74/997032374.db2.gz	OVTWWOTUPZTSQR-SECBINFHSA-N	-1	0	306.340	0.006	20	30		DCEDRM
COC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H](C)O1	ZINC001598898624	997129969	/nfs/dbraw/zinc/12/99/69/997129969.db2.gz	UVKYRPCTIWJNLT-DDTOSNHZSA-N	-1	0	318.329	0.946	20	30		DCEDRM
COCc1cccc(CNC(=O)CN(CC#N)CCC(=O)[O-])c1	ZINC001599295865	997140695	/nfs/dbraw/zinc/14/06/95/997140695.db2.gz	OILKAXPPHUDNQG-UHFFFAOYSA-N	-1	0	319.361	0.749	20	30		DCEDRM
COC(=O)[C@H](CSc1ccc(C(=O)[O-])nc1C#N)NC(C)=O	ZINC001598903848	997225211	/nfs/dbraw/zinc/22/52/11/997225211.db2.gz	QMIQPGRPUPXASX-JTQLQIEISA-N	-1	0	323.330	0.421	20	30		DCEDRM
COC1(c2ccnn2C)CN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001599093177	997230162	/nfs/dbraw/zinc/23/01/62/997230162.db2.gz	CZFRTNLYWWWTQK-UHFFFAOYSA-N	-1	0	313.317	0.747	20	30		DCEDRM
CO[C@H]1CCN(C(=O)c2ccc(C#N)c(C)n2)[C@@H](C(=O)[O-])C1	ZINC001599120012	997721701	/nfs/dbraw/zinc/72/17/01/997721701.db2.gz	JRPPJLOOMLIBRH-WCQYABFASA-N	-1	0	303.318	0.966	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001599233701	997909084	/nfs/dbraw/zinc/90/90/84/997909084.db2.gz	VEAKDBLHRJYYCP-UHFFFAOYSA-N	-1	0	316.310	0.685	20	30		DCEDRM
CO[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)[C@@](C)(C(=O)[O-])C1	ZINC001599131078	997945526	/nfs/dbraw/zinc/94/55/26/997945526.db2.gz	SIZNWSJIBQRNEN-XHDPSFHLSA-N	-1	0	304.302	0.968	20	30		DCEDRM
CO[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)[C@](C)(C(=O)[O-])C1	ZINC001599131071	997945925	/nfs/dbraw/zinc/94/59/25/997945925.db2.gz	SIZNWSJIBQRNEN-ABAIWWIYSA-N	-1	0	304.302	0.968	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)N2CC[C@H](c3nnn[n-]3)C2)c(F)c1	ZINC001548500527	1016185758	/nfs/dbraw/zinc/18/57/58/1016185758.db2.gz	SCYMQDFWUFSQGU-QMMMGPOBSA-N	-1	0	304.260	0.979	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)c(F)c1	ZINC001548500521	1016186171	/nfs/dbraw/zinc/18/61/71/1016186171.db2.gz	SCYMQDFWUFSQGU-MRVPVSSYSA-N	-1	0	304.260	0.979	20	30		DCEDRM
COc1cc2c(cc1C(=O)N(CC#N)CCC(=O)[O-])OCO2	ZINC001599463388	998315109	/nfs/dbraw/zinc/31/51/09/998315109.db2.gz	ZVKYQWBDGUGMOM-UHFFFAOYSA-N	-1	0	306.274	0.864	20	30		DCEDRM
COC[C@@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C(=O)[O-]	ZINC001599166835	998555029	/nfs/dbraw/zinc/55/50/29/998555029.db2.gz	HHDBGGQZPHGPFZ-ZIAGYGMSSA-N	-1	0	317.345	0.743	20	30		DCEDRM
COC(=O)c1ccc(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c(C#N)n1	ZINC001598982523	998670570	/nfs/dbraw/zinc/67/05/70/998670570.db2.gz	MHGVGCSOGSGNLQ-IUCAKERBSA-N	-1	0	305.290	0.012	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)CNc2ccc(C#N)cc2)C1	ZINC001599069079	999318491	/nfs/dbraw/zinc/31/84/91/999318491.db2.gz	WXMAUZBVQQVZGP-OAHLLOKOSA-N	-1	0	303.318	0.672	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC001599069940	999324875	/nfs/dbraw/zinc/32/48/75/999324875.db2.gz	YOFKWFMDDORLHQ-INIZCTEOSA-N	-1	0	317.297	0.469	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCC2N=NC(=O)N2C)cc1C#N	ZINC001469511590	1016342673	/nfs/dbraw/zinc/34/26/73/1016342673.db2.gz	JWIFGPKYZDZQNL-UHFFFAOYSA-N	-1	0	320.334	0.145	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1c[n-]n3c1nccc3=O)C2	ZINC001471356092	1016562457	/nfs/dbraw/zinc/56/24/57/1016562457.db2.gz	DMGLTVDOFHQNNX-ZDUSSCGKSA-N	-1	0	319.324	0.791	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](CCO)[C@H](CO)C1	ZINC001420680005	1002794457	/nfs/dbraw/zinc/79/44/57/1002794457.db2.gz	PPAHBNGXWNQQAE-JQWIXIFHSA-N	-1	0	305.334	0.030	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)cn1	ZINC001471854912	1016676003	/nfs/dbraw/zinc/67/60/03/1016676003.db2.gz	YTSGEECAOMLKMA-LBPRGKRZSA-N	-1	0	311.349	0.490	20	30		DCEDRM
CCC1(CC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)COC1	ZINC001472600670	1016833760	/nfs/dbraw/zinc/83/37/60/1016833760.db2.gz	FFMREZNUEDYMQW-UHFFFAOYSA-N	-1	0	318.333	0.021	20	30		DCEDRM
CC[S@](=O)[C@H]1CCC[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001472715177	1016846425	/nfs/dbraw/zinc/84/64/25/1016846425.db2.gz	PJXZDWZHZKIKBZ-IMXIGIQMSA-N	-1	0	324.406	0.437	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@H]2C(=O)OC(C)(C)C)c(C#N)c1=O	ZINC001472753003	1016851192	/nfs/dbraw/zinc/85/11/92/1016851192.db2.gz	GKQGMURBVRVCHB-JTQLQIEISA-N	-1	0	320.349	0.256	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2ccc(C=O)c(F)c2F)c(C#N)c1=O	ZINC001472874542	1016866465	/nfs/dbraw/zinc/86/64/65/1016866465.db2.gz	CGGXZWIKYBJZIJ-UHFFFAOYSA-N	-1	0	307.212	0.828	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](CNC(=O)[C@H](C)C#N)C(C)(C)C)c1[O-]	ZINC001407451402	1004659188	/nfs/dbraw/zinc/65/91/88/1004659188.db2.gz	FATWYUOIXXYZRI-PSASIEDQSA-N	-1	0	321.381	0.844	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2nc(CCc3ccccc3)no2)c1=O	ZINC001473048260	1016904112	/nfs/dbraw/zinc/90/41/12/1016904112.db2.gz	TTXJRZNTMQYKOC-UHFFFAOYSA-N	-1	0	323.312	0.625	20	30		DCEDRM
COc1cc(F)ccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417608281	1005850543	/nfs/dbraw/zinc/85/05/43/1005850543.db2.gz	KQJRRDUBFIKRJT-UHFFFAOYSA-N	-1	0	318.264	0.607	20	30		DCEDRM
Cc1onc(CC(=O)N2CCSC[C@H]2c2nnn[n-]2)c1C#N	ZINC001417720555	1005876016	/nfs/dbraw/zinc/87/60/16/1005876016.db2.gz	XHYQTXPHKGSUNP-JTQLQIEISA-N	-1	0	319.350	0.227	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@]2(c3ccccc3)CNC(=O)C2)[n-]c1C#N	ZINC001418239225	1006225426	/nfs/dbraw/zinc/22/54/26/1006225426.db2.gz	UDQZHHVKNYMHEO-INIZCTEOSA-N	-1	0	320.312	0.549	20	30		DCEDRM
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCc1nnn[n-]1	ZINC001418367113	1006431876	/nfs/dbraw/zinc/43/18/76/1006431876.db2.gz	INDYZBQAMNPYNZ-LBPRGKRZSA-N	-1	0	300.322	0.196	20	30		DCEDRM
COCCC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001453839586	1008753011	/nfs/dbraw/zinc/75/30/11/1008753011.db2.gz	AJZRLFWTQSZIRN-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
CC[C@H]1C[C@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001453842622	1008754281	/nfs/dbraw/zinc/75/42/81/1008754281.db2.gz	MIPAXXNENFNBOE-PWSUYJOCSA-N	-1	0	320.349	0.142	20	30		DCEDRM
CC=C(C=CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)CC	ZINC001453844368	1008756246	/nfs/dbraw/zinc/75/62/46/1008756246.db2.gz	QQJOCVPAEUNPNO-YOYJXUCXSA-N	-1	0	302.334	0.849	20	30		DCEDRM
N#Cc1cn(CCNC(=O)/C=C/C2CCCC2)c(=O)[n-]c1=O	ZINC001453845023	1008756775	/nfs/dbraw/zinc/75/67/75/1008756775.db2.gz	RWKZNHGOWUVEKU-AATRIKPKSA-N	-1	0	302.334	0.683	20	30		DCEDRM
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001433880406	1009298152	/nfs/dbraw/zinc/29/81/52/1009298152.db2.gz	OVUYOPOREDEERD-GHMZBOCLSA-N	-1	0	302.334	0.612	20	30		DCEDRM
CCO[C@H]1COCC[C@H]1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001433898947	1009325560	/nfs/dbraw/zinc/32/55/60/1009325560.db2.gz	UXDKVOSUCVPMPA-NEPJUHHUSA-N	-1	0	305.334	0.891	20	30		DCEDRM
Cc1cccc(C)c1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434206688	1009661664	/nfs/dbraw/zinc/66/16/64/1009661664.db2.gz	IRFFWERSFVRBHR-UHFFFAOYSA-N	-1	0	312.329	0.867	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC[C@@H]2C[C@H]2C2CC2)c(=O)[n-]c1=O	ZINC001434368506	1009845236	/nfs/dbraw/zinc/84/52/36/1009845236.db2.gz	GJJJVWSRWKXXIZ-YPMHNXCESA-N	-1	0	316.361	0.763	20	30		DCEDRM
Cc1cc([C@@](C)(O)CNc2[n-]c(=O)n(C)c(=O)c2C#N)c(C)o1	ZINC001434436106	1009952705	/nfs/dbraw/zinc/95/27/05/1009952705.db2.gz	OSOXDKQLKBRMLO-HNNXBMFYSA-N	-1	0	318.333	0.475	20	30		DCEDRM
COC(=O)[C@@H]1CCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001434458543	1009977528	/nfs/dbraw/zinc/97/75/28/1009977528.db2.gz	PQVFEVUHGSWZNM-NSHDSACASA-N	-1	0	301.306	0.444	20	30		DCEDRM
Cn1nc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c2ccccc21	ZINC001457139711	1011597504	/nfs/dbraw/zinc/59/75/04/1011597504.db2.gz	MLOVCKKMKQZXPJ-UHFFFAOYSA-N	-1	0	324.300	0.346	20	30		DCEDRM
Cc1cc(F)cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001445694344	1012119218	/nfs/dbraw/zinc/11/92/18/1012119218.db2.gz	GEWIYPDIDYTUBB-UHFFFAOYSA-N	-1	0	302.265	0.907	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NC2CCC=CCC2)c(=O)[n-]c1=O	ZINC001565367182	1012547633	/nfs/dbraw/zinc/54/76/33/1012547633.db2.gz	LXQUEAQQECPCRH-UHFFFAOYSA-N	-1	0	317.349	0.619	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001460702719	1012956303	/nfs/dbraw/zinc/95/63/03/1012956303.db2.gz	CDAZGNOXMQXUGG-ONGXEEELSA-N	-1	0	319.296	0.392	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(CN2C(=O)CCC2=O)cc1	ZINC001516659646	1017152871	/nfs/dbraw/zinc/15/28/71/1017152871.db2.gz	USNVADFUKRHZJN-LBPRGKRZSA-N	-1	0	313.313	0.404	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(OCC(N)=O)cc1	ZINC001516660517	1017153769	/nfs/dbraw/zinc/15/37/69/1017153769.db2.gz	ZDBSOZWRBFMFEU-LBPRGKRZSA-N	-1	0	301.302	0.152	20	30		DCEDRM
CC[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001609920259	1171121752	/nfs/dbraw/zinc/12/17/52/1171121752.db2.gz	FEJCBHMXOSOVEG-LZTQFINJSA-N	-1	0	309.322	0.130	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C(=O)OC	ZINC001622226704	1171421860	/nfs/dbraw/zinc/42/18/60/1171421860.db2.gz	ZZRCEEMPTITSGK-UGZDLDLSSA-N	-1	0	324.424	0.282	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)o1	ZINC000287098338	219311904	/nfs/dbraw/zinc/31/19/04/219311904.db2.gz	ADSBWZQTTQPSSX-UHFFFAOYSA-N	-1	0	314.319	0.311	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H](CO)[C@H]2CCOC2)o1	ZINC000287194795	219372910	/nfs/dbraw/zinc/37/29/10/219372910.db2.gz	DQVBENWQRRNAQM-VHSXEESVSA-N	-1	0	300.336	0.075	20	30		DCEDRM
CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@H](C#N)C1	ZINC000264515656	238198186	/nfs/dbraw/zinc/19/81/86/238198186.db2.gz	VCKMAHQRFUHNJU-LLVKDONJSA-N	-1	0	323.374	0.813	20	30		DCEDRM
O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCC#Cc2ccccc2)C1	ZINC000420527439	240041409	/nfs/dbraw/zinc/04/14/09/240041409.db2.gz	IQEPXRDWULBQTC-CYBMUJFWSA-N	-1	0	300.314	0.087	20	30		DCEDRM
CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cncc(C#N)c1	ZINC000567579667	291362462	/nfs/dbraw/zinc/36/24/62/291362462.db2.gz	KHKSJPFPDGSVRF-NSHDSACASA-N	-1	0	309.347	0.970	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NCCSCC(=O)[O-])c1	ZINC000275034376	212085141	/nfs/dbraw/zinc/08/51/41/212085141.db2.gz	QHNVIRUPIRELBI-UHFFFAOYSA-N	-1	0	300.361	0.654	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-]	ZINC000274962756	212044229	/nfs/dbraw/zinc/04/42/29/212044229.db2.gz	VHBBHMSPSAUGNN-VIFPVBQESA-N	-1	0	313.331	0.765	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C	ZINC000263203571	285049795	/nfs/dbraw/zinc/04/97/95/285049795.db2.gz	XTUYKGQIMYFWHX-IJLUTSLNSA-N	-1	0	317.411	0.898	20	30		DCEDRM
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC(=O)[O-]	ZINC000340449032	253256093	/nfs/dbraw/zinc/25/60/93/253256093.db2.gz	BYCVWFDURXKUMR-UHFFFAOYSA-N	-1	0	308.237	0.940	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000088376960	395707447	/nfs/dbraw/zinc/70/74/47/395707447.db2.gz	JAMYMFCMUXZGKL-GFCCVEGCSA-N	-1	0	310.331	0.173	20	30		DCEDRM
N#Cc1nc(NC(=O)CN2C(=O)COc3ccccc32)[n-]c1C#N	ZINC000026274497	395694245	/nfs/dbraw/zinc/69/42/45/395694245.db2.gz	FIYWQXMDUVIZIZ-UHFFFAOYSA-N	-1	0	322.284	0.517	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(-n3cnnc3)cc2)[n-]c1C#N	ZINC000101638713	395766144	/nfs/dbraw/zinc/76/61/44/395766144.db2.gz	NHOTUDKJQHHLMU-UHFFFAOYSA-N	-1	0	304.273	0.986	20	30		DCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C(=O)C1	ZINC000048491469	395816514	/nfs/dbraw/zinc/81/65/14/395816514.db2.gz	BWMYXNOWNWTNKF-SECBINFHSA-N	-1	0	315.351	0.805	20	30		DCEDRM
N#Cc1ccccc1N1CCN(C(=O)NCCC(=O)[O-])CC1	ZINC000263370190	396215851	/nfs/dbraw/zinc/21/58/51/396215851.db2.gz	MRTILROUMIYQHP-UHFFFAOYSA-N	-1	0	302.334	0.865	20	30		DCEDRM
N#Cc1ccc(CCNC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000594690367	396497218	/nfs/dbraw/zinc/49/72/18/396497218.db2.gz	HKMNWEFUGWLSTP-HNNXBMFYSA-N	-1	0	303.318	0.644	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	ZINC000514792162	396497577	/nfs/dbraw/zinc/49/75/77/396497577.db2.gz	GNWAOSSEMZABKZ-WDEREUQCSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C[C@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C(=O)[O-]	ZINC000594528091	396483768	/nfs/dbraw/zinc/48/37/68/396483768.db2.gz	JUOXJTRDPXQODL-PWSUYJOCSA-N	-1	0	318.333	0.837	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000594538008	396484971	/nfs/dbraw/zinc/48/49/71/396484971.db2.gz	JGEIKSWVSGPZJP-NXEZZACHSA-N	-1	0	303.318	0.572	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1CCC(=O)[O-]	ZINC000594570505	396487464	/nfs/dbraw/zinc/48/74/64/396487464.db2.gz	FZUSGMOLCPYOBH-WDEREUQCSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C=CCCSCCNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000595276870	396577327	/nfs/dbraw/zinc/57/73/27/396577327.db2.gz	WOPLPSFTUCOCNE-NSHDSACASA-N	-1	0	314.407	0.735	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000562960019	396687439	/nfs/dbraw/zinc/68/74/39/396687439.db2.gz	HIVBLCCPRJOAMK-LLVKDONJSA-N	-1	0	317.301	0.581	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000596022627	396709403	/nfs/dbraw/zinc/70/94/03/396709403.db2.gz	GXJIIURDYXCWHX-KOLCDFICSA-N	-1	0	303.384	0.413	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000563226498	396715310	/nfs/dbraw/zinc/71/53/10/396715310.db2.gz	ODAWIYKQQJAQAX-CYBMUJFWSA-N	-1	0	324.358	0.800	20	30		DCEDRM
N#Cc1cccc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)n1	ZINC000589492814	396716782	/nfs/dbraw/zinc/71/67/82/396716782.db2.gz	CEDXCRWPKFSTBQ-UHFFFAOYSA-N	-1	0	307.273	0.887	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000564397146	396830284	/nfs/dbraw/zinc/83/02/84/396830284.db2.gz	ULVFHTRXFJCLPD-SNVBAGLBSA-N	-1	0	302.283	0.075	20	30		DCEDRM
N#Cc1nc(C2CC2)oc1N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000611372294	396860543	/nfs/dbraw/zinc/86/05/43/396860543.db2.gz	WEDJEOCFMNWNQZ-UHFFFAOYSA-N	-1	0	315.337	0.570	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)c(F)c1	ZINC000591269342	396892386	/nfs/dbraw/zinc/89/23/86/396892386.db2.gz	IUCZTCVZWALJRZ-LBPRGKRZSA-N	-1	0	307.281	0.692	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC[C@@H]1C(=O)[O-]	ZINC000600797631	396943860	/nfs/dbraw/zinc/94/38/60/396943860.db2.gz	NMHIWIQDZHSILZ-ISTVAULSSA-N	-1	0	311.313	0.020	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@]1(C)COc2ccccc2O1)C(=O)[O-]	ZINC000630185635	396955765	/nfs/dbraw/zinc/95/57/65/396955765.db2.gz	FCQRQSDSEISJDO-MEDUHNTESA-N	-1	0	321.329	0.989	20	30		DCEDRM
Cn1[n-]c(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1=O	ZINC000597683350	397062449	/nfs/dbraw/zinc/06/24/49/397062449.db2.gz	CWZUTDVXKNLKGL-LLVKDONJSA-N	-1	0	313.317	0.686	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1	ZINC000597803343	397105785	/nfs/dbraw/zinc/10/57/85/397105785.db2.gz	XCLNXMQKBLLLSL-HNNXBMFYSA-N	-1	0	314.301	0.521	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000613252079	397228162	/nfs/dbraw/zinc/22/81/62/397228162.db2.gz	AHJMEZLIZXXAIU-SNVBAGLBSA-N	-1	0	303.318	0.944	20	30		DCEDRM
C=CCn1cc(CNC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)nn1	ZINC000626767607	397235059	/nfs/dbraw/zinc/23/50/59/397235059.db2.gz	AGWIVRGSOUAHKV-PWSUYJOCSA-N	-1	0	307.354	0.716	20	30		DCEDRM
C[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(C#N)s1	ZINC000574115755	397238251	/nfs/dbraw/zinc/23/82/51/397238251.db2.gz	ZAIMDRVFXFUYEP-IONNQARKSA-N	-1	0	320.417	0.331	20	30		DCEDRM
Cc1ccccc1CN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602033890	397288941	/nfs/dbraw/zinc/28/89/41/397288941.db2.gz	GUHXCCUQJALFMZ-UHFFFAOYSA-N	-1	0	312.329	0.788	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCCC3(CC3)C2)c(=O)[n-]c1=O	ZINC000602137089	397316787	/nfs/dbraw/zinc/31/67/87/397316787.db2.gz	CITTYSYXSODCJE-UHFFFAOYSA-N	-1	0	302.334	0.613	20	30		DCEDRM
CCCN(CC(F)F)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602086246	397297039	/nfs/dbraw/zinc/29/70/39/397297039.db2.gz	NWXCUJKBBLGTDJ-UHFFFAOYSA-N	-1	0	314.292	0.714	20	30		DCEDRM
CC(C)C1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602111905	397306298	/nfs/dbraw/zinc/30/62/98/397306298.db2.gz	WFYAVJKJXKLVQE-UHFFFAOYSA-N	-1	0	304.350	0.715	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC(C(F)F)CC2)c(=O)[n-]c1=O	ZINC000602118293	397308210	/nfs/dbraw/zinc/30/82/10/397308210.db2.gz	BDVPOHPELRGGRG-UHFFFAOYSA-N	-1	0	312.276	0.324	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2C[C@@H]3CCCC[C@@H]32)c(=O)[n-]c1=O	ZINC000602177047	397335122	/nfs/dbraw/zinc/33/51/22/397335122.db2.gz	VUQXFDXIVJLFMY-JQWIXIFHSA-N	-1	0	302.334	0.612	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCCC(F)(F)CC2)c(=O)[n-]c1=O	ZINC000602188895	397337766	/nfs/dbraw/zinc/33/77/66/397337766.db2.gz	HSGGJYYVQMJHBG-UHFFFAOYSA-N	-1	0	312.276	0.468	20	30		DCEDRM
N#Cc1ccc(N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)nc1	ZINC000593327029	397352316	/nfs/dbraw/zinc/35/23/16/397352316.db2.gz	MZTUJHTUIJHTFI-GFCCVEGCSA-N	-1	0	314.345	0.855	20	30		DCEDRM
C[C@@H]1CSCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602149178	397322690	/nfs/dbraw/zinc/32/26/90/397322690.db2.gz	ZTIFZEWGWGDCHJ-JTQLQIEISA-N	-1	0	322.390	0.422	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC3(CCC3)[C@@H]2C2CC2)c(=O)[n-]c1=O	ZINC000602155024	397326364	/nfs/dbraw/zinc/32/63/64/397326364.db2.gz	XKLWBCXOYGBAAA-ZDUSSCGKSA-N	-1	0	314.345	0.612	20	30		DCEDRM
C[C@H]1[C@@H](C)N(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1C	ZINC000602163523	397328974	/nfs/dbraw/zinc/32/89/74/397328974.db2.gz	JNZRXQPBUJUXGB-GMTAPVOTSA-N	-1	0	304.350	0.714	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1C#N	ZINC000579008567	397515199	/nfs/dbraw/zinc/51/51/99/397515199.db2.gz	ZYVXLEJHDWGXDE-ZANVPECISA-N	-1	0	323.374	0.993	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc2c(c1)OCCO2	ZINC000493004234	397525636	/nfs/dbraw/zinc/52/56/36/397525636.db2.gz	JXIYEGSINKCMKE-FNORWQNLSA-N	-1	0	321.354	0.940	20	30		DCEDRM
C=CCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1	ZINC000579693220	397588396	/nfs/dbraw/zinc/58/83/96/397588396.db2.gz	CGAVXTQYBJMHHI-LLVKDONJSA-N	-1	0	324.358	0.595	20	30		DCEDRM
N#Cc1nc(NC(=O)CNC(=O)c2cccc(F)c2)[n-]c1C#N	ZINC000128268075	158279743	/nfs/dbraw/zinc/27/97/43/158279743.db2.gz	CUGMMQLSEBQMRO-UHFFFAOYSA-N	-1	0	312.264	0.661	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1C(N)=O	ZINC000185621710	158522655	/nfs/dbraw/zinc/52/26/55/158522655.db2.gz	PWGXXANICPRYJY-UHFFFAOYSA-N	-1	0	319.346	0.798	20	30		DCEDRM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)cn1	ZINC000360519822	159271459	/nfs/dbraw/zinc/27/14/59/159271459.db2.gz	DWAYAMILLHRTNH-UHFFFAOYSA-N	-1	0	320.330	0.729	20	30		DCEDRM
C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)O1	ZINC000408484242	160118490	/nfs/dbraw/zinc/11/84/90/160118490.db2.gz	DTZHGPBZJVHQAC-SBMIAAHKSA-N	-1	0	309.347	0.572	20	30		DCEDRM
C=CCNC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1	ZINC000032649665	415186873	/nfs/dbraw/zinc/18/68/73/415186873.db2.gz	NNLXOMOIDMOJNI-UHFFFAOYSA-N	-1	0	315.329	0.797	20	30		DCEDRM
N#Cc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c[nH]1	ZINC000352680287	415277815	/nfs/dbraw/zinc/27/78/15/415277815.db2.gz	GPLZKNLZCJUQNQ-UHFFFAOYSA-N	-1	0	306.303	0.492	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)n1	ZINC000123341144	415841086	/nfs/dbraw/zinc/84/10/86/415841086.db2.gz	VJZSEOYFMRRUTK-UHFFFAOYSA-N	-1	0	305.319	0.191	20	30		DCEDRM
N#CCNC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC000344152337	415851051	/nfs/dbraw/zinc/85/10/51/415851051.db2.gz	ITUPJLPFVQIEBL-UHFFFAOYSA-N	-1	0	317.280	0.087	20	30		DCEDRM
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCC#N)cc2)[n-]1	ZINC000355711853	415867239	/nfs/dbraw/zinc/86/72/39/415867239.db2.gz	UTCHYBZRGCAHOK-UHFFFAOYSA-N	-1	0	314.301	0.134	20	30		DCEDRM
CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cn1	ZINC000357385406	416070716	/nfs/dbraw/zinc/07/07/16/416070716.db2.gz	JIIXXUCSCHZQMK-UHFFFAOYSA-N	-1	0	303.347	1.215	20	30		DCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)nc1	ZINC000357391303	416072382	/nfs/dbraw/zinc/07/23/82/416072382.db2.gz	QBZJUGUSIKQZED-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ncn(C)c1C(N)=O	ZINC000344934295	416010327	/nfs/dbraw/zinc/01/03/27/416010327.db2.gz	PILLJQQKXSTXKI-UHFFFAOYSA-N	-1	0	319.346	0.500	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1	ZINC000330759666	416236424	/nfs/dbraw/zinc/23/64/24/416236424.db2.gz	KTJLSMJAIXKLMK-JTQLQIEISA-N	-1	0	324.410	0.295	20	30		DCEDRM
C[C@H](C[S@](C)=O)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000183196067	416238002	/nfs/dbraw/zinc/23/80/02/416238002.db2.gz	QUZKMGNWOBFFOM-XJZHNMMOSA-N	-1	0	322.358	0.882	20	30		DCEDRM
COC(=O)CN(CC#N)CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000348506155	416239620	/nfs/dbraw/zinc/23/96/20/416239620.db2.gz	DMKTVNLOVVEIPD-UHFFFAOYSA-N	-1	0	322.346	0.007	20	30		DCEDRM
CCN(CC)c1n[nH]c([N-]S(=O)(=O)c2ccnn2C)c1C#N	ZINC000361527126	416444104	/nfs/dbraw/zinc/44/41/04/416444104.db2.gz	FQGQLMQXPHQDGQ-UHFFFAOYSA-N	-1	0	323.382	0.662	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c(F)c1	ZINC000422658126	416445358	/nfs/dbraw/zinc/44/53/58/416445358.db2.gz	CDLPWSLBRZWZIC-LLVKDONJSA-N	-1	0	305.265	0.711	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1	ZINC000422680692	416448489	/nfs/dbraw/zinc/44/84/89/416448489.db2.gz	BUTXBVGMZNBMHD-OAHLLOKOSA-N	-1	0	319.292	0.959	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ncccc2C#N)cn1	ZINC000443137401	416734685	/nfs/dbraw/zinc/73/46/85/416734685.db2.gz	HKOHOVYPQMUSJN-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C(=O)[O-])C1CCC1	ZINC000519826263	416944150	/nfs/dbraw/zinc/94/41/50/416944150.db2.gz	XNEQAJZSRKCCSS-MWLCHTKSSA-N	-1	0	303.384	0.556	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCCC(C)(C)[C@@H]1C(=O)[O-]	ZINC000567476192	417062400	/nfs/dbraw/zinc/06/24/00/417062400.db2.gz	DBQRBAOTENVMIP-MNOVXSKESA-N	-1	0	317.411	0.898	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC(=O)[N-]OCC2CC2)cc1	ZINC000295638214	225071702	/nfs/dbraw/zinc/07/17/02/225071702.db2.gz	QMSHWWKZLPVCRE-UHFFFAOYSA-N	-1	0	309.347	0.294	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CC[C@@H]2CC[C@H](C(=O)[O-])C[C@H]21	ZINC000568811602	417180404	/nfs/dbraw/zinc/18/04/04/417180404.db2.gz	LGUUZXMSYRDCLI-SDDRHHMPSA-N	-1	0	315.395	0.652	20	30		DCEDRM
CC(=O)Nc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)ccn1	ZINC000528914483	417398889	/nfs/dbraw/zinc/39/88/89/417398889.db2.gz	KRWXAFLLSWQBEC-LBPRGKRZSA-N	-1	0	300.318	0.985	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ncnn2-c2ccccc2)o1	ZINC000571014282	417412156	/nfs/dbraw/zinc/41/21/56/417412156.db2.gz	RPHCYDXENCOERG-UHFFFAOYSA-N	-1	0	315.314	0.955	20	30		DCEDRM
CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)N(CC)C[C@H](C)C#N	ZINC000571689356	417452287	/nfs/dbraw/zinc/45/22/87/417452287.db2.gz	PVXSRGHIWZHRLM-GHMZBOCLSA-N	-1	0	305.400	0.755	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)[O-]	ZINC000573442431	417472164	/nfs/dbraw/zinc/47/21/64/417472164.db2.gz	IGQJXPYQUQJYNP-WDEREUQCSA-N	-1	0	306.384	0.209	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(C)nc2c1cnn2C)C(=O)[O-]	ZINC000455910442	417619267	/nfs/dbraw/zinc/61/92/67/417619267.db2.gz	PULSNCBKFZKIOX-LBPRGKRZSA-N	-1	0	318.333	0.662	20	30		DCEDRM
C=CCN(CCOC)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC000635848276	417774056	/nfs/dbraw/zinc/77/40/56/417774056.db2.gz	NFVFYFOWEFZAMW-UHFFFAOYSA-N	-1	0	302.338	0.349	20	30		DCEDRM
O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCC#Cc2ccccc2)C1	ZINC000647579517	418026704	/nfs/dbraw/zinc/02/67/04/418026704.db2.gz	XQQNISCFGSFNNO-KGLIPLIRSA-N	-1	0	314.341	0.524	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000654820141	418191697	/nfs/dbraw/zinc/19/16/97/418191697.db2.gz	ZTMFRSUXWXWFFR-LPWJVIDDSA-N	-1	0	312.366	0.851	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1cnn2ccccc12)C(=O)[O-]	ZINC000649250866	418214917	/nfs/dbraw/zinc/21/49/17/418214917.db2.gz	AGOUGCIPXVZTIJ-LBPRGKRZSA-N	-1	0	303.318	0.649	20	30		DCEDRM
C=CCOCCCNC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000656595820	418365308	/nfs/dbraw/zinc/36/53/08/418365308.db2.gz	RTYIZDNXGJSTNC-RYUDHWBXSA-N	-1	0	300.355	0.853	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC000422677358	262423497	/nfs/dbraw/zinc/42/34/97/262423497.db2.gz	IMMGQTNYBBSSPJ-LLVKDONJSA-N	-1	0	301.302	0.820	20	30		DCEDRM
CCOC[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000443244869	267140078	/nfs/dbraw/zinc/14/00/78/267140078.db2.gz	LYYQQRKPHDESFJ-SECBINFHSA-N	-1	0	320.317	0.512	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000548552539	288153551	/nfs/dbraw/zinc/15/35/51/288153551.db2.gz	XWRIYAWTUPERLK-VIFPVBQESA-N	-1	0	302.283	0.075	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)CC(=O)[O-]	ZINC000563853477	288708947	/nfs/dbraw/zinc/70/89/47/288708947.db2.gz	XVHPZXGZMHHPJM-VIFPVBQESA-N	-1	0	316.310	0.465	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000319805435	301076150	/nfs/dbraw/zinc/07/61/50/301076150.db2.gz	UPWSYXBQPVENML-GFCCVEGCSA-N	-1	0	324.358	0.731	20	30		DCEDRM
Cn1cccc(N/C([O-])=N/C[C@@H]2CCCCS2(=O)=O)c1=O	ZINC000329501601	302959772	/nfs/dbraw/zinc/95/97/72/302959772.db2.gz	GIIZQACWSAUBDI-JTQLQIEISA-N	-1	0	313.379	0.679	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000273732911	303170579	/nfs/dbraw/zinc/17/05/79/303170579.db2.gz	NQVXUULMIYPBIN-QMMMGPOBSA-N	-1	0	314.294	0.437	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCCCC[C@H]2C(=O)[O-])cn1	ZINC000159695330	303196571	/nfs/dbraw/zinc/19/65/71/303196571.db2.gz	UJGBCNDMCYUVCF-LBPRGKRZSA-N	-1	0	309.347	0.971	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000570919260	332842066	/nfs/dbraw/zinc/84/20/66/332842066.db2.gz	OYDXBKZTBCCWPK-LLVKDONJSA-N	-1	0	309.366	0.708	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC000518383437	332022786	/nfs/dbraw/zinc/02/27/86/332022786.db2.gz	KSOYHPGPUZGFDI-PWSUYJOCSA-N	-1	0	303.384	0.509	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000566311459	332334265	/nfs/dbraw/zinc/33/42/65/332334265.db2.gz	DEDUSYJEMFMHPO-GMTAPVOTSA-N	-1	0	305.400	0.658	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H]2CCC[C@]2(C(=O)[O-])C1	ZINC000566312539	332335601	/nfs/dbraw/zinc/33/56/01/332335601.db2.gz	NUXBRASRCJZPHX-WZRBSPASSA-N	-1	0	315.395	0.652	20	30		DCEDRM
C=CCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC000582127865	332395210	/nfs/dbraw/zinc/39/52/10/332395210.db2.gz	NEHPFMJARXWNDJ-UHFFFAOYSA-N	-1	0	310.375	0.877	20	30		DCEDRM
CC[C@H](CCC(=O)[O-])NS(=O)(=O)N(CC)C[C@H](C)C#N	ZINC000569853594	332686299	/nfs/dbraw/zinc/68/62/99/332686299.db2.gz	VJIUICZNHMMDEJ-GHMZBOCLSA-N	-1	0	305.400	0.946	20	30		DCEDRM
CSc1nn(CC(=O)N(C)C2(C#N)CCCCC2)c(=O)[n-]1	ZINC000188153721	333038117	/nfs/dbraw/zinc/03/81/17/333038117.db2.gz	FVUDUXLVMGHMMC-UHFFFAOYSA-N	-1	0	309.395	0.978	20	30		DCEDRM
Cn1nccc1[C@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000582063375	333194934	/nfs/dbraw/zinc/19/49/34/333194934.db2.gz	ZRDLDJXSEAWUNK-JTQLQIEISA-N	-1	0	312.351	0.159	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC000568002947	333517176	/nfs/dbraw/zinc/51/71/76/333517176.db2.gz	QVNOJYYTFNWDDN-WCQYABFASA-N	-1	0	317.411	0.899	20	30		DCEDRM
Cc1nn(C)cc1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000330739700	334811274	/nfs/dbraw/zinc/81/12/74/334811274.db2.gz	QFHJHXVTMJUSCI-UHFFFAOYSA-N	-1	0	316.368	0.588	20	30		DCEDRM
CC(C)[C@H](NC(=O)N=c1cn[n-]s1)C(=O)N1CCOCC1	ZINC000330261836	336131004	/nfs/dbraw/zinc/13/10/04/336131004.db2.gz	PLALMODCZRAPAP-JTQLQIEISA-N	-1	0	313.383	0.557	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)nn1	ZINC000582541636	337107002	/nfs/dbraw/zinc/10/70/02/337107002.db2.gz	LHNOQMUYVGGPNA-SNVBAGLBSA-N	-1	0	302.342	0.387	20	30		DCEDRM
CN(CCCC(=O)[O-])C(=O)C(=O)NCC#Cc1cccc(F)c1	ZINC000420591842	337508237	/nfs/dbraw/zinc/50/82/37/337508237.db2.gz	XWHOOAUOMNUGOP-UHFFFAOYSA-N	-1	0	320.320	0.617	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000422625053	337683127	/nfs/dbraw/zinc/68/31/27/337683127.db2.gz	FKNVJERHOJJRLN-JTQLQIEISA-N	-1	0	306.318	0.624	20	30		DCEDRM
CC(C)C[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000424393944	337830036	/nfs/dbraw/zinc/83/00/36/337830036.db2.gz	SILZJTMULNUYMT-MNOVXSKESA-N	-1	0	305.400	0.659	20	30		DCEDRM
COc1cncc(/C=C/C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000492915144	339912346	/nfs/dbraw/zinc/91/23/46/339912346.db2.gz	VGRMSPGHPSRURW-NSCUHMNNSA-N	-1	0	321.358	0.853	20	30		DCEDRM
C#CCO[N-]C(=O)[C@]1(COC)CCN(C(=O)OC(C)(C)C)C1	ZINC000496217444	340000788	/nfs/dbraw/zinc/00/07/88/340000788.db2.gz	PWKOXYZHCRPNCE-OAHLLOKOSA-N	-1	0	312.366	0.941	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC(C(=O)[N-]S(=O)(=O)CCC#N)C1	ZINC000496627370	340009238	/nfs/dbraw/zinc/00/92/38/340009238.db2.gz	YZPWOIFRUBYMLI-UHFFFAOYSA-N	-1	0	317.367	0.213	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N(C)[C@@H](CC(C)(C)C)C(=O)[O-]	ZINC000542861842	341023966	/nfs/dbraw/zinc/02/39/66/341023966.db2.gz	WWJPVSPTODGVTR-JTQLQIEISA-N	-1	0	305.400	0.898	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-]	ZINC000543784765	341058691	/nfs/dbraw/zinc/05/86/91/341058691.db2.gz	DGOXEZTZMPANFC-SNVBAGLBSA-N	-1	0	324.314	0.678	20	30		DCEDRM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCOC[C@H]2C#N)c1C	ZINC000545558048	341130333	/nfs/dbraw/zinc/13/03/33/341130333.db2.gz	PYHQYECSWQGEHW-GFCCVEGCSA-N	-1	0	324.358	0.915	20	30		DCEDRM
N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1	ZINC000545912079	341145673	/nfs/dbraw/zinc/14/56/73/341145673.db2.gz	GIMGQRLEFVLVHU-LBPRGKRZSA-N	-1	0	312.333	0.533	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)[O-]	ZINC000565831828	341539632	/nfs/dbraw/zinc/53/96/32/341539632.db2.gz	GLOSDEXPVLNJNK-LBPRGKRZSA-N	-1	0	315.347	0.629	20	30		DCEDRM
N#CC1(CNS(=O)(=O)CC2(C(=O)[O-])CC2)CCOCC1	ZINC001601056318	1159779579	/nfs/dbraw/zinc/77/95/79/1159779579.db2.gz	WTABIRKEWCICRK-UHFFFAOYSA-N	-1	0	302.352	0.091	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(C(F)(F)F)c[nH]c1=O	ZINC001601069001	1159780271	/nfs/dbraw/zinc/78/02/71/1159780271.db2.gz	CGVRKIGFVGSCAA-UHFFFAOYSA-N	-1	0	303.196	0.856	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)CC1	ZINC001601062536	1159780479	/nfs/dbraw/zinc/78/04/79/1159780479.db2.gz	JTCDMZSQMQORCB-LLVKDONJSA-N	-1	0	304.393	0.560	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC001603230754	1159785781	/nfs/dbraw/zinc/78/57/81/1159785781.db2.gz	YRTRGCATJPKVCN-UHFFFAOYSA-N	-1	0	318.395	0.727	20	30		DCEDRM
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCC(=O)[O-]	ZINC000420591123	534320111	/nfs/dbraw/zinc/32/01/11/534320111.db2.gz	LASORRUTKKGIDS-ZDUSSCGKSA-N	-1	0	304.346	0.881	20	30		DCEDRM
CC(C)Cn1cnc(S(=O)(=O)[N-]c2nn(C)cc2C#N)c1	ZINC000123316973	519528747	/nfs/dbraw/zinc/52/87/47/519528747.db2.gz	RJGJYDODRUFEAE-UHFFFAOYSA-N	-1	0	308.367	0.945	20	30		DCEDRM
N#CCCCS(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000274896120	534627741	/nfs/dbraw/zinc/62/77/41/534627741.db2.gz	HBHHCFULOGEIBQ-LBPRGKRZSA-N	-1	0	312.347	0.611	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000263247367	528383940	/nfs/dbraw/zinc/38/39/40/528383940.db2.gz	SJOVSGZGSXDGAB-QWRGUYRKSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C[C@H]1CCCN(S(=O)(=O)c2cccnc2C#N)[C@@H]1C(=O)[O-]	ZINC000235608324	545950846	/nfs/dbraw/zinc/95/08/46/545950846.db2.gz	UCOIDXLMIBUDQX-CABZTGNLSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C=C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1	ZINC000349596013	546159056	/nfs/dbraw/zinc/15/90/56/546159056.db2.gz	XELMCPWJLFRUKC-SECBINFHSA-N	-1	0	323.396	0.300	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cnc2onc(C)c2c1)C(=O)[O-]	ZINC000681579437	548267306	/nfs/dbraw/zinc/26/73/06/548267306.db2.gz	OCWOUNFAMFUESQ-NSHDSACASA-N	-1	0	323.330	0.676	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)CCCN(C)C(=O)[O-])CC1	ZINC000736080726	599745961	/nfs/dbraw/zinc/74/59/61/599745961.db2.gz	XBECOGIBNVWICC-UHFFFAOYSA-N	-1	0	309.366	0.364	20	30		DCEDRM
C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)[O-])ccc1F	ZINC000738492825	597025622	/nfs/dbraw/zinc/02/56/22/597025622.db2.gz	ZHKDSJWRDJCMEA-UHFFFAOYSA-N	-1	0	316.310	0.104	20	30		DCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)[O-])cc1	ZINC000737494066	597497222	/nfs/dbraw/zinc/49/72/22/597497222.db2.gz	RXJJRMHUGVVERY-VIFPVBQESA-N	-1	0	311.315	0.228	20	30		DCEDRM
Cn1cnnc1-c1cncc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000821310812	597603996	/nfs/dbraw/zinc/60/39/96/597603996.db2.gz	RCYWSOKBOGPQGI-CQSZACIVSA-N	-1	0	314.305	0.820	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2ccc(F)cn2)CC1	ZINC000819822050	597608896	/nfs/dbraw/zinc/60/88/96/597608896.db2.gz	LTLSFYYWYXGORM-HNNXBMFYSA-N	-1	0	320.324	0.874	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1COC2(CCOCC2)O1	ZINC000819835034	597609010	/nfs/dbraw/zinc/60/90/10/597609010.db2.gz	RNUZAXSGQCPEAQ-ZWNOBZJWSA-N	-1	0	312.322	0.029	20	30		DCEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NCC(F)(F)F	ZINC000820160887	597617195	/nfs/dbraw/zinc/61/71/95/597617195.db2.gz	KBWDYFIFOYBZOM-WKEGUHRASA-N	-1	0	310.228	0.601	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1n[nH]c(-c2ccccn2)n1	ZINC000819866061	597635071	/nfs/dbraw/zinc/63/50/71/597635071.db2.gz	QUIFXMYIJYGAOD-ZDUSSCGKSA-N	-1	0	300.278	0.810	20	30		DCEDRM
CCN1C(=S)N=NC1CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820506323	597644404	/nfs/dbraw/zinc/64/44/04/597644404.db2.gz	CBIWIQXTIJGNGD-GFCCVEGCSA-N	-1	0	311.367	0.250	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](N2CCCC2=O)C1	ZINC000819811194	597646340	/nfs/dbraw/zinc/64/63/40/597646340.db2.gz	LMGZKDGLMCMOMR-XHDPSFHLSA-N	-1	0	307.350	0.604	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(N2CCCNC2=O)CC1	ZINC000819810617	597657941	/nfs/dbraw/zinc/65/79/41/597657941.db2.gz	DHBMOXUBXINOJB-OAHLLOKOSA-N	-1	0	322.365	0.397	20	30		DCEDRM
CN(C)c1ncc(CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC000820607747	597665124	/nfs/dbraw/zinc/66/51/24/597665124.db2.gz	SLKUUTFSYRPQFX-CQSZACIVSA-N	-1	0	305.338	0.506	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1cccc(CC#N)c1)[C@@H](C)C(=O)[O-]	ZINC000819758142	597696185	/nfs/dbraw/zinc/69/61/85/597696185.db2.gz	LBYMCOILHPQPFF-NSHDSACASA-N	-1	0	317.345	0.804	20	30		DCEDRM
COC(=O)C1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCOCC1	ZINC000820653562	597712769	/nfs/dbraw/zinc/71/27/69/597712769.db2.gz	MISQHWVFAKWUDY-CYBMUJFWSA-N	-1	0	312.322	0.077	20	30		DCEDRM
CC(=NNCCC(=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000819726241	597739516	/nfs/dbraw/zinc/73/95/16/597739516.db2.gz	DRECVMGYVIMKTM-UHFFFAOYSA-N	-1	0	313.379	0.725	20	30		DCEDRM
Cc1ccc(F)cc1NC(=O)C=NOCC(=O)NCC(=O)[O-]	ZINC000821083756	597761952	/nfs/dbraw/zinc/76/19/52/597761952.db2.gz	QYAAPXAGAGNVDO-UHFFFAOYSA-N	-1	0	311.269	0.276	20	30		DCEDRM
Cc1nnnn1-c1cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000821225045	598224206	/nfs/dbraw/zinc/22/42/06/598224206.db2.gz	RYKBHDIOGWPRLB-AWEZNQCLSA-N	-1	0	314.305	0.914	20	30		DCEDRM
CC(C)c1nnc2n1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2	ZINC000820062049	598227493	/nfs/dbraw/zinc/22/74/93/598227493.db2.gz	ZBHWZOZUOBMMEV-AWEZNQCLSA-N	-1	0	305.338	0.748	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cnn(-c2ncccn2)c1	ZINC000819856861	598228136	/nfs/dbraw/zinc/22/81/36/598228136.db2.gz	OMFURDFEXBCOFB-CYBMUJFWSA-N	-1	0	300.278	0.605	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000819824483	598230386	/nfs/dbraw/zinc/23/03/86/598230386.db2.gz	YHOPYQWNGGOGOU-WBMJQRKESA-N	-1	0	321.377	0.898	20	30		DCEDRM
N#Cc1ccc(N2CC[C@H](N3CCO[C@@H](C(=O)[O-])C3)C2=O)cc1	ZINC000738431895	599971698	/nfs/dbraw/zinc/97/16/98/599971698.db2.gz	ANQNVUAGVGTKAN-UONOGXRCSA-N	-1	0	315.329	0.449	20	30		DCEDRM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCO[C@@H](C#N)C1	ZINC000315095889	599981320	/nfs/dbraw/zinc/98/13/20/599981320.db2.gz	LKNILBDNUGQWKQ-NSHDSACASA-N	-1	0	310.331	0.606	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(NC(=O)[O-])c2)CCO1	ZINC000739065927	599998296	/nfs/dbraw/zinc/99/82/96/599998296.db2.gz	FEURHMDVFRUJSL-NSHDSACASA-N	-1	0	318.289	0.466	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CCO1	ZINC000738423849	599998374	/nfs/dbraw/zinc/99/83/74/599998374.db2.gz	VZNAITDZOCBKOE-NSHDSACASA-N	-1	0	303.274	0.074	20	30		DCEDRM
Cc1ccc2ncc(C(=O)N(CC#N)CC(=O)[O-])c(=O)n2c1	ZINC000738677883	600400441	/nfs/dbraw/zinc/40/04/41/600400441.db2.gz	ZKHPWXXSMJMYBU-UHFFFAOYSA-N	-1	0	300.274	0.053	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCc1nc2ccccc2c(=O)[nH]1	ZINC000739077344	600401505	/nfs/dbraw/zinc/40/15/05/600401505.db2.gz	MGYMALWYKDHTTC-UHFFFAOYSA-N	-1	0	314.301	0.705	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cnc(-c2ncccn2)s1	ZINC000739088732	600403281	/nfs/dbraw/zinc/40/32/81/600403281.db2.gz	ZRCULQOGDVFOPR-UHFFFAOYSA-N	-1	0	303.303	0.650	20	30		DCEDRM
Cc1ccc(CNC(=O)NCC(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000738598017	600408742	/nfs/dbraw/zinc/40/87/42/600408742.db2.gz	NGONROJZXZJHDV-UHFFFAOYSA-N	-1	0	318.333	0.231	20	30		DCEDRM
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCO[C@H](C(=O)[O-])C1	ZINC000737580350	600568923	/nfs/dbraw/zinc/56/89/23/600568923.db2.gz	NSIDCJUSHXOIFZ-QWHCGFSZSA-N	-1	0	304.302	0.558	20	30		DCEDRM
COC(=O)N(C)CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737630467	600611667	/nfs/dbraw/zinc/61/16/67/600611667.db2.gz	FKRMENNUKRFZGQ-LBPRGKRZSA-N	-1	0	306.274	0.925	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CCO1	ZINC000093932462	600650406	/nfs/dbraw/zinc/65/04/06/600650406.db2.gz	URGPWYWHMLLEKQ-NSHDSACASA-N	-1	0	310.331	0.227	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CCO1	ZINC000093932461	600650476	/nfs/dbraw/zinc/65/04/76/600650476.db2.gz	URGPWYWHMLLEKQ-LLVKDONJSA-N	-1	0	310.331	0.227	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	ZINC000739078291	600675493	/nfs/dbraw/zinc/67/54/93/600675493.db2.gz	DIZGBNMRPYOKQD-UHFFFAOYSA-N	-1	0	321.245	0.416	20	30		DCEDRM
N#Cc1ccc(OS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1	ZINC000739129646	600686129	/nfs/dbraw/zinc/68/61/29/600686129.db2.gz	ZTNHFSGHCBUENG-UHFFFAOYSA-N	-1	0	307.287	0.607	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000755859331	600913141	/nfs/dbraw/zinc/91/31/41/600913141.db2.gz	GEAKSDOUUQPVTM-AKWBAMEGSA-N	-1	0	323.349	0.518	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(N2CCC(O)CC2)cc1	ZINC000833065625	600963522	/nfs/dbraw/zinc/96/35/22/600963522.db2.gz	DZTHFECJBOEKES-UHFFFAOYSA-N	-1	0	317.345	0.698	20	30		DCEDRM
CN(CCOc1ccccc1F)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000830795133	601006031	/nfs/dbraw/zinc/00/60/31/601006031.db2.gz	KEJAORTVNFPKME-UHFFFAOYSA-N	-1	0	323.324	0.573	20	30		DCEDRM
COc1ccc(NC(=O)CN(CC#N)CC(=O)[O-])cc1OC	ZINC000832394271	601226048	/nfs/dbraw/zinc/22/60/48/601226048.db2.gz	QHYPXDJPUWNUQT-UHFFFAOYSA-N	-1	0	307.306	0.552	20	30		DCEDRM
COc1cccc(CN(C)C(=O)CN(CC#N)CC(=O)[O-])c1	ZINC000832548858	601226457	/nfs/dbraw/zinc/22/64/57/601226457.db2.gz	BVLRTRFVQXCYHW-UHFFFAOYSA-N	-1	0	305.334	0.564	20	30		DCEDRM
COc1ccc(OCCN(CC#N)CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000832444776	601227548	/nfs/dbraw/zinc/22/75/48/601227548.db2.gz	VSMKCLDBUJTXCB-UHFFFAOYSA-N	-1	0	309.278	0.892	20	30		DCEDRM
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000827687098	601270181	/nfs/dbraw/zinc/27/01/81/601270181.db2.gz	JQMJWWYEIOYSCY-LLVKDONJSA-N	-1	0	319.317	0.738	20	30		DCEDRM
Cn1c(NCC2(C(=O)[O-])CCCC2)c(C#N)c(=O)n(C)c1=O	ZINC000833039749	601379410	/nfs/dbraw/zinc/37/94/10/601379410.db2.gz	LAMZHGHGYFOJJP-UHFFFAOYSA-N	-1	0	306.322	0.013	20	30		DCEDRM
C=CCNC(=O)c1ccc(N2CCO[C@@H](CC(=O)[O-])C2)nc1	ZINC000825687637	601382068	/nfs/dbraw/zinc/38/20/68/601382068.db2.gz	RZFFOHILLPGBIC-LBPRGKRZSA-N	-1	0	305.334	0.677	20	30		DCEDRM
N#CC1(NC(=O)CN2CCO[C@@H](CC(=O)[O-])C2)CCCCC1	ZINC000833064994	601458133	/nfs/dbraw/zinc/45/81/33/601458133.db2.gz	PVVCFHNSADBRRD-LBPRGKRZSA-N	-1	0	309.366	0.505	20	30		DCEDRM
N#CCCN(C(=O)CN1CCOC[C@H]1C(=O)[O-])c1ccccc1	ZINC000833065988	601560848	/nfs/dbraw/zinc/56/08/48/601560848.db2.gz	QMVZPRMNUFHJNP-AWEZNQCLSA-N	-1	0	317.345	0.719	20	30		DCEDRM
COC(=O)C[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC000831147932	601573285	/nfs/dbraw/zinc/57/32/85/601573285.db2.gz	LTBSXJCMHXWGTN-DZGCQCFKSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C#CCN1CCN(C(=O)CNc2ccc(C)c(C(=O)[O-])c2)CC1	ZINC000825620261	601579598	/nfs/dbraw/zinc/57/95/98/601579598.db2.gz	ZDTFCTXHZIIDCX-UHFFFAOYSA-N	-1	0	315.373	0.883	20	30		DCEDRM
COc1cc([C@@H](C#N)NC(=O)CNC(=O)[O-])cc(OC)c1OC	ZINC000737864826	602097563	/nfs/dbraw/zinc/09/75/63/602097563.db2.gz	VTUKHACRZCWFPH-SECBINFHSA-N	-1	0	323.305	0.661	20	30		DCEDRM
N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000819090878	602254234	/nfs/dbraw/zinc/25/42/34/602254234.db2.gz	JLMDDSUPDCERGJ-UHFFFAOYSA-N	-1	0	323.280	0.648	20	30		DCEDRM
CC(C)N(CCC#N)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000824336028	603599900	/nfs/dbraw/zinc/59/99/00/603599900.db2.gz	KRLDQDLDFDFYEG-GFCCVEGCSA-N	-1	0	309.370	0.668	20	30		DCEDRM
N#CCN1CCC(NC(=O)C2(CNC(=O)[O-])CCCC2)CC1	ZINC000831102668	603664930	/nfs/dbraw/zinc/66/49/30/603664930.db2.gz	QGTGOEAKPZCZSW-UHFFFAOYSA-N	-1	0	308.382	0.919	20	30		DCEDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)Nc1cnn(CC#N)c1	ZINC000826116022	603708804	/nfs/dbraw/zinc/70/88/04/603708804.db2.gz	NWYIJXLFICLJFS-WCBMZHEXSA-N	-1	0	307.310	0.849	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)Nc1cccnc1Cl	ZINC000831091598	603727437	/nfs/dbraw/zinc/72/74/37/603727437.db2.gz	INRFQIOUZCDZPW-SECBINFHSA-N	-1	0	323.740	0.861	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000831102440	603743003	/nfs/dbraw/zinc/74/30/03/603743003.db2.gz	JUVPOCWTNMNZSX-AAEUAGOBSA-N	-1	0	319.317	0.318	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000831102441	603743049	/nfs/dbraw/zinc/74/30/49/603743049.db2.gz	JUVPOCWTNMNZSX-DGCLKSJQSA-N	-1	0	319.317	0.318	20	30		DCEDRM
COCCC1N=NC(=S)N1N=CC1CCN(C(=O)[O-])CC1	ZINC000829024435	603860241	/nfs/dbraw/zinc/86/02/41/603860241.db2.gz	RHVBEHVENCZYCN-UHFFFAOYSA-N	-1	0	313.383	0.980	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)CN(CC2CC2)C(=O)[O-])C1	ZINC000831102571	603915719	/nfs/dbraw/zinc/91/57/19/603915719.db2.gz	NPSOQQJBQMTCHJ-CYBMUJFWSA-N	-1	0	308.382	0.728	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)CC2(NC(=O)[O-])CCC2)C1	ZINC000831102937	603916540	/nfs/dbraw/zinc/91/65/40/603916540.db2.gz	ZYWROGXRIDRFSB-GFCCVEGCSA-N	-1	0	308.382	0.919	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000830527725	603918308	/nfs/dbraw/zinc/91/83/08/603918308.db2.gz	OMUJNOORPSVPQZ-NSHDSACASA-N	-1	0	309.347	0.872	20	30		DCEDRM
N#CCN1CCC(CNC(=O)C[C@@H]2CCCN2C(=O)[O-])CC1	ZINC000831102372	603920558	/nfs/dbraw/zinc/92/05/58/603920558.db2.gz	IKLKSDIQTHZKEN-ZDUSSCGKSA-N	-1	0	308.382	0.871	20	30		DCEDRM
CC1CC(C#N)(C(=O)NCCCN2CCN(C(=O)[O-])CC2)C1	ZINC000825783231	603956159	/nfs/dbraw/zinc/95/61/59/603956159.db2.gz	DMKSVAHAGWAHKY-UHFFFAOYSA-N	-1	0	308.382	0.728	20	30		DCEDRM
C[C@@H](CC(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1)NC(=O)[O-]	ZINC000824709669	603963916	/nfs/dbraw/zinc/96/39/16/603963916.db2.gz	CKGLCHVHXBYNRT-UFBFGSQYSA-N	-1	0	305.290	0.674	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cc1[nH]nc2ccccc21	ZINC000831086054	604068073	/nfs/dbraw/zinc/06/80/73/604068073.db2.gz	AXTQEUBFRNDNEL-SNVBAGLBSA-N	-1	0	313.317	0.820	20	30		DCEDRM
CC(C)c1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n(C)n1	ZINC000824453791	604068634	/nfs/dbraw/zinc/06/86/34/604068634.db2.gz	WLNVDQQVRVAKRE-SNVBAGLBSA-N	-1	0	305.338	0.871	20	30		DCEDRM
Cc1nnc2ccc(C(=O)N3CCN(C(=O)[O-])C[C@@H]3C#N)cn12	ZINC000830892874	604075784	/nfs/dbraw/zinc/07/57/84/604075784.db2.gz	GXXZJAHAWODSLK-NSHDSACASA-N	-1	0	314.305	0.366	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccccc1C=O	ZINC000831083324	604084094	/nfs/dbraw/zinc/08/40/94/604084094.db2.gz	ZEVSEDHEUIDAGV-LBPRGKRZSA-N	-1	0	317.301	0.592	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc2c([nH]c1=O)CCC2	ZINC000831087895	604085720	/nfs/dbraw/zinc/08/57/20/604085720.db2.gz	UABGSXKQVVHGKJ-JTQLQIEISA-N	-1	0	316.317	0.604	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000831109755	604155984	/nfs/dbraw/zinc/15/59/84/604155984.db2.gz	SJXRWJVGPCMNAQ-NSHDSACASA-N	-1	0	314.301	0.917	20	30		DCEDRM
C[C@]1(C(=O)OCCn2ncc(C#N)c2N)CCN(C(=O)[O-])C1	ZINC000825690846	604186508	/nfs/dbraw/zinc/18/65/08/604186508.db2.gz	NQRHWIXTUKETTC-ZDUSSCGKSA-N	-1	0	307.310	0.270	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])CCO1	ZINC000831075617	604200296	/nfs/dbraw/zinc/20/02/96/604200296.db2.gz	BBTLNKRSJHAJQV-QJPTWQEYSA-N	-1	0	310.354	0.747	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000824887752	604241862	/nfs/dbraw/zinc/24/18/62/604241862.db2.gz	CPKMLVHRGCCFMK-QMTHXVAHSA-N	-1	0	313.354	0.830	20	30		DCEDRM
Cc1nnc(N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)c(C#N)c1C	ZINC000830887964	604452478	/nfs/dbraw/zinc/45/24/78/604452478.db2.gz	YBBQAPLCHTYFPT-ZYHUDNBSSA-N	-1	0	305.338	0.826	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)CCCCC#N)CCO1	ZINC000825359473	604492789	/nfs/dbraw/zinc/49/27/89/604492789.db2.gz	LREZQVUXFCFMMC-WDEREUQCSA-N	-1	0	319.383	0.367	20	30		DCEDRM
C#CCOCCC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000833364165	604539834	/nfs/dbraw/zinc/53/98/34/604539834.db2.gz	KSJNCTIMFCHOBK-UHFFFAOYSA-N	-1	0	304.302	0.479	20	30		DCEDRM
C#CCSCCNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823466813	604554194	/nfs/dbraw/zinc/55/41/94/604554194.db2.gz	JDCBRAYMDGXCTP-GHMZBOCLSA-N	-1	0	315.395	0.419	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)[C@H](C)CCCCC(=O)[O-]	ZINC000814845061	604640880	/nfs/dbraw/zinc/64/08/80/604640880.db2.gz	SSXKCXCHWMQJNO-SECBINFHSA-N	-1	0	316.427	0.854	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)Cc2cccc(C#N)c2)CCO1	ZINC000825308412	604669468	/nfs/dbraw/zinc/66/94/68/604669468.db2.gz	FUMOEYIQQJKLLB-BXUZGUMPSA-N	-1	0	317.345	0.984	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000831126914	604694362	/nfs/dbraw/zinc/69/43/62/604694362.db2.gz	WPEVZEFBRYLPQR-CYBMUJFWSA-N	-1	0	303.318	0.943	20	30		DCEDRM
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(O)(C(=O)[O-])CC1	ZINC000833409380	604728322	/nfs/dbraw/zinc/72/83/22/604728322.db2.gz	MYNSYJVEJJQVME-LLVKDONJSA-N	-1	0	317.345	0.797	20	30		DCEDRM
C=CCNc1ncc(C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])s1	ZINC000825692198	604741269	/nfs/dbraw/zinc/74/12/69/604741269.db2.gz	MSSUVWAZHYGUKJ-ZETCQYMHSA-N	-1	0	313.335	0.487	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CN(C(=O)[O-])C1	ZINC000740028572	604757001	/nfs/dbraw/zinc/75/70/01/604757001.db2.gz	UBZGFQHTHYFWCH-UHFFFAOYSA-N	-1	0	318.333	0.687	20	30		DCEDRM
C=C(Br)CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823474627	604776046	/nfs/dbraw/zinc/77/60/46/604776046.db2.gz	QMGPLTSZMBYDNG-QMMMGPOBSA-N	-1	0	307.144	0.780	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cnccc1C(=O)[O-]	ZINC000829641913	604878834	/nfs/dbraw/zinc/87/88/34/604878834.db2.gz	DWBABHCRKUEXSE-JTQLQIEISA-N	-1	0	319.317	0.945	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000833366993	605034196	/nfs/dbraw/zinc/03/41/96/605034196.db2.gz	OERYOSYWMLYIFK-UHFFFAOYSA-N	-1	0	317.301	0.116	20	30		DCEDRM
C=C(C)COCCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000833369284	605047709	/nfs/dbraw/zinc/04/77/09/605047709.db2.gz	OWXNSWUSPRVZNZ-UHFFFAOYSA-N	-1	0	303.340	0.287	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000833371532	605060599	/nfs/dbraw/zinc/06/05/99/605060599.db2.gz	UKTQVMYULQFLFO-QMMMGPOBSA-N	-1	0	305.377	0.909	20	30		DCEDRM
CC[C@H](NC(=O)[O-])C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000827532298	605075561	/nfs/dbraw/zinc/07/55/61/605075561.db2.gz	VNQWVTUVZKOVKO-QWRGUYRKSA-N	-1	0	305.290	0.674	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000833371568	605093127	/nfs/dbraw/zinc/09/31/27/605093127.db2.gz	VHVAYUPPECGQCP-SNVBAGLBSA-N	-1	0	306.318	0.624	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1	ZINC000833376778	605103126	/nfs/dbraw/zinc/10/31/26/605103126.db2.gz	BRHLOQBUESHRAD-UHFFFAOYSA-N	-1	0	306.366	0.133	20	30		DCEDRM
C#CCCN1CCN(CC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)CC1	ZINC000833362341	605192275	/nfs/dbraw/zinc/19/22/75/605192275.db2.gz	MZYNOYOANHMENT-HIFRSBDPSA-N	-1	0	309.410	0.243	20	30		DCEDRM
N#Cc1ccc(NC(=O)COC(=O)C=C2CN(C(=O)[O-])C2)cc1	ZINC000833973750	605310566	/nfs/dbraw/zinc/31/05/66/605310566.db2.gz	CJCUMAAIULSWOT-UHFFFAOYSA-N	-1	0	315.285	0.960	20	30		DCEDRM
N#Cc1cc(F)ccc1COC(=O)[C@@H](CC(N)=O)NC(=O)[O-]	ZINC000833975605	605417177	/nfs/dbraw/zinc/41/71/77/605417177.db2.gz	ZHUDNPJVAZQCOQ-SNVBAGLBSA-N	-1	0	309.253	0.252	20	30		DCEDRM
CC(C)(Cn1cc(C(=O)[O-])cc(C#N)c1=O)CS(C)(=O)=O	ZINC000833459922	605418582	/nfs/dbraw/zinc/41/85/82/605418582.db2.gz	MILYRTSPIIGUHZ-UHFFFAOYSA-N	-1	0	312.347	0.489	20	30		DCEDRM
N#CC1(NC(=O)C[C@H]2CSCCN2C(=O)[O-])CCOCC1	ZINC000831071008	605435181	/nfs/dbraw/zinc/43/51/81/605435181.db2.gz	WSOFXHMKKPMSIW-JTQLQIEISA-N	-1	0	313.379	0.661	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000833366249	605497904	/nfs/dbraw/zinc/49/79/04/605497904.db2.gz	NOEVXABKSBEMOQ-UHFFFAOYSA-N	-1	0	305.290	0.481	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000833366227	605497930	/nfs/dbraw/zinc/49/79/30/605497930.db2.gz	MPGGWBMMDADQFX-UHFFFAOYSA-N	-1	0	308.265	0.228	20	30		DCEDRM
C=CCCS(=O)(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833375146	605610125	/nfs/dbraw/zinc/61/01/25/605610125.db2.gz	YGIQPAWKIIMFPF-VHSXEESVSA-N	-1	0	305.352	0.231	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)n1	ZINC000831161763	605715322	/nfs/dbraw/zinc/71/53/22/605715322.db2.gz	LCOJNQIZWYTFEO-LLVKDONJSA-N	-1	0	320.353	0.482	20	30		DCEDRM
N#Cc1ccc(C(=O)COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000833975373	605722553	/nfs/dbraw/zinc/72/25/53/605722553.db2.gz	WVTBTFFYVGYOTI-VXGBXAGGSA-N	-1	0	318.285	0.397	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(CCC(=O)N(C)CCC#N)CCO1	ZINC000833817624	605750491	/nfs/dbraw/zinc/75/04/91/605750491.db2.gz	IEBFSAFCXKPHCM-NEPJUHHUSA-N	-1	0	312.370	0.105	20	30		DCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000833503838	605764397	/nfs/dbraw/zinc/76/43/97/605764397.db2.gz	KHMAQEZRVHSWEF-ZIAGYGMSSA-N	-1	0	320.345	0.928	20	30		DCEDRM
COc1ccc(C#N)cc1COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000829260486	605812730	/nfs/dbraw/zinc/81/27/30/605812730.db2.gz	SXHZMMFDIQRLLP-VXGBXAGGSA-N	-1	0	320.301	0.723	20	30		DCEDRM
N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CN(C(=O)[O-])C1	ZINC000833970423	605845647	/nfs/dbraw/zinc/84/56/47/605845647.db2.gz	NRAKFODMBDUREE-UHFFFAOYSA-N	-1	0	315.738	0.852	20	30		DCEDRM
COC(=O)c1ccc(CN=Nc2oc(C)nc2-c2nnn[n-]2)[nH]1	ZINC000821669121	606166029	/nfs/dbraw/zinc/16/60/29/606166029.db2.gz	YQVKITUFJZXRGG-UHFFFAOYSA-N	-1	0	316.281	0.724	20	30		DCEDRM
CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)C#N)cc1-c1nnn[n-]1	ZINC000821978256	606288995	/nfs/dbraw/zinc/28/89/95/606288995.db2.gz	KQSSPGWOLXOJMW-LURJTMIESA-N	-1	0	319.350	0.579	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)s1	ZINC000822822721	606591598	/nfs/dbraw/zinc/59/15/98/606591598.db2.gz	DBIOMUGMHMSMEK-UHFFFAOYSA-N	-1	0	311.290	0.647	20	30		DCEDRM
CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2cn(C)nn2)o1	ZINC000824280813	607886621	/nfs/dbraw/zinc/88/66/21/607886621.db2.gz	VKJOSSIQGCRGGM-UHFFFAOYSA-N	-1	0	316.329	0.628	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[nH]n1	ZINC000823932069	608275442	/nfs/dbraw/zinc/27/54/42/608275442.db2.gz	MXLNGPZMNISBMV-BQYQJAHWSA-N	-1	0	319.346	0.512	20	30		DCEDRM
Cc1nn(C)c(Cl)c1Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000826334197	609177104	/nfs/dbraw/zinc/17/71/04/609177104.db2.gz	LDTKSUKUFRFKQZ-UHFFFAOYSA-N	-1	0	318.732	0.261	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1c(F)cccc1F	ZINC000826382758	609515163	/nfs/dbraw/zinc/51/51/63/609515163.db2.gz	SVZSRDCKOYLFBV-UHFFFAOYSA-N	-1	0	302.248	0.844	20	30		DCEDRM
Cn1cc(/C=C\C(=O)c2cc(F)ccc2[O-])c(=O)n(C)c1=O	ZINC000255595926	658120230	/nfs/dbraw/zinc/12/02/30/658120230.db2.gz	QSYOEYRVSOIGCZ-HYXAFXHYSA-N	-1	0	304.277	0.825	20	30		DCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)CC1	ZINC000893249101	659172192	/nfs/dbraw/zinc/17/21/92/659172192.db2.gz	ZLVCPVRMEANJSE-GFCCVEGCSA-N	-1	0	305.396	0.840	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1	ZINC000976809754	659457626	/nfs/dbraw/zinc/45/76/26/659457626.db2.gz	HFFJERMJVGYFSL-JZYVYDRUSA-N	-1	0	323.784	0.770	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c2c(nn1C)CCSC2	ZINC000892882942	659496990	/nfs/dbraw/zinc/49/69/90/659496990.db2.gz	RDJAKOAKRUFJRI-UHFFFAOYSA-N	-1	0	301.393	0.455	20	30		DCEDRM
CCn1nc(C)c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1C	ZINC000793198078	662057274	/nfs/dbraw/zinc/05/72/74/662057274.db2.gz	VQJVQICFHKLNQG-UHFFFAOYSA-N	-1	0	310.379	0.883	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000798203303	662531609	/nfs/dbraw/zinc/53/16/09/662531609.db2.gz	XPHPOMOWYSCUNX-UHFFFAOYSA-N	-1	0	312.303	0.686	20	30		DCEDRM
CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000729094259	662631860	/nfs/dbraw/zinc/63/18/60/662631860.db2.gz	AVLQGYCWVUKQQY-JTQLQIEISA-N	-1	0	323.374	0.419	20	30		DCEDRM
C#CCCCNC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC000898824644	663109859	/nfs/dbraw/zinc/10/98/59/663109859.db2.gz	RLUUGUOBPBIKRY-BWBHSNQOSA-N	-1	0	322.361	0.695	20	30		DCEDRM
C[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899926864	663201240	/nfs/dbraw/zinc/20/12/40/663201240.db2.gz	PAWDGYJADAGPKD-RYUDHWBXSA-N	-1	0	300.380	0.516	20	30		DCEDRM
COC(C)(C)CS(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899927577	663201384	/nfs/dbraw/zinc/20/13/84/663201384.db2.gz	XWTBOGRGPUGHQL-LLVKDONJSA-N	-1	0	303.380	0.541	20	30		DCEDRM
COc1ccc(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)cn1	ZINC000899927588	663201507	/nfs/dbraw/zinc/20/15/07/663201507.db2.gz	YKBOAHMITVSIPP-NSHDSACASA-N	-1	0	324.358	0.579	20	30		DCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1	ZINC000899935051	663202359	/nfs/dbraw/zinc/20/23/59/663202359.db2.gz	NRUPCAHBTCQRRG-GDNZZTSVSA-N	-1	0	310.306	0.648	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)NC[C@@H](C)CN1CCOCC1)C(=O)[O-]	ZINC000908914772	663774025	/nfs/dbraw/zinc/77/40/25/663774025.db2.gz	ZISFBRLDWOPZHK-CHWSQXEVSA-N	-1	0	313.398	0.673	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)NCCOC[C@H]1CCOC1)C(=O)[O-]	ZINC000908947695	663775966	/nfs/dbraw/zinc/77/59/66/663775966.db2.gz	FXYIGQIJCQOYJJ-QWRGUYRKSA-N	-1	0	320.773	0.935	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCCOC[C@@H]1CCOC1)C(=O)[O-]	ZINC000908947599	663776040	/nfs/dbraw/zinc/77/60/40/663776040.db2.gz	DWHFYXVFIVVTTI-NEPJUHHUSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@@H](c2ccnn2C)C1	ZINC000909221508	663788022	/nfs/dbraw/zinc/78/80/22/663788022.db2.gz	LWKPTSKMPIGGCB-WCQYABFASA-N	-1	0	322.365	0.922	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909236810	663788662	/nfs/dbraw/zinc/78/86/62/663788662.db2.gz	BQVLOCAXGBGFMZ-RNJOBUHISA-N	-1	0	312.366	0.757	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCN(CC(F)F)C1)C(=O)[O-]	ZINC000909770354	663800332	/nfs/dbraw/zinc/80/03/32/663800332.db2.gz	FSGGQUOKHPQQNQ-GHMZBOCLSA-N	-1	0	320.336	0.736	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1	ZINC000909832506	663810969	/nfs/dbraw/zinc/81/09/69/663810969.db2.gz	SLJAWRRUCYLYBL-WSVYEEACSA-N	-1	0	317.407	0.792	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-]	ZINC000910051760	663836856	/nfs/dbraw/zinc/83/68/56/663836856.db2.gz	GQVOIVAHLJMJFC-ZIAGYGMSSA-N	-1	0	314.341	0.628	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-]	ZINC000910052317	663837381	/nfs/dbraw/zinc/83/73/81/663837381.db2.gz	TZWLNAYVBFUPKM-LSDHHAIUSA-N	-1	0	316.357	0.480	20	30		DCEDRM
C#CC[C@H](NC(=O)CCc1c(C)nc2ccnn2c1C)C(=O)[O-]	ZINC000910052068	663837410	/nfs/dbraw/zinc/83/74/10/663837410.db2.gz	NCVQKWMQPWBZQR-ZDUSSCGKSA-N	-1	0	314.345	0.871	20	30		DCEDRM
C#CC[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)[O-]	ZINC000910052136	663837469	/nfs/dbraw/zinc/83/74/69/663837469.db2.gz	PBWJATGCIFKYRO-ZDUSSCGKSA-N	-1	0	313.313	0.762	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN(CC(F)(F)F)C1)C(=O)[O-]	ZINC000910049552	663840840	/nfs/dbraw/zinc/84/08/40/663840840.db2.gz	XENNVNOJHYPKHC-UWVGGRQHSA-N	-1	0	306.284	0.853	20	30		DCEDRM
C#CC[C@H](NC(=O)C1CCN(C(=O)c2ccoc2)CC1)C(=O)[O-]	ZINC000910050951	663840937	/nfs/dbraw/zinc/84/09/37/663840937.db2.gz	BGAIUTCJOTWAOA-ZDUSSCGKSA-N	-1	0	318.329	0.725	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC000910266793	663862161	/nfs/dbraw/zinc/86/21/61/663862161.db2.gz	OWJXOLUMMKJFCN-NXEZZACHSA-N	-1	0	312.757	0.861	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC000910269694	663862997	/nfs/dbraw/zinc/86/29/97/663862997.db2.gz	CPHPHWFDPBUKNQ-WCBMZHEXSA-N	-1	0	312.757	0.632	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1	ZINC000910757806	663933630	/nfs/dbraw/zinc/93/36/30/663933630.db2.gz	VISWLXZJGJHODM-CYBMUJFWSA-N	-1	0	300.314	0.473	20	30		DCEDRM
C#C[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1CCOCC1	ZINC000911791103	664109908	/nfs/dbraw/zinc/10/99/08/664109908.db2.gz	LOZSTMWCKSQAGS-MELADBBJSA-N	-1	0	309.362	0.943	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F	ZINC000912450586	664176979	/nfs/dbraw/zinc/17/69/79/664176979.db2.gz	YRBHTJJGBPIWFZ-JQWIXIFHSA-N	-1	0	303.236	0.478	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1	ZINC000912449753	664177038	/nfs/dbraw/zinc/17/70/38/664177038.db2.gz	CBBWZTSRPLOUBD-AWEZNQCLSA-N	-1	0	318.377	0.698	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cnn(-c3ccccc3)n2)[n-]c1C#N	ZINC000045580572	664415706	/nfs/dbraw/zinc/41/57/06/664415706.db2.gz	XERLEVRIFNZXPI-UHFFFAOYSA-N	-1	0	304.273	0.986	20	30		DCEDRM
C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(C#N)cc1	ZINC000730526026	664785288	/nfs/dbraw/zinc/78/52/88/664785288.db2.gz	MOLMZVXFSNAWAU-JTQLQIEISA-N	-1	0	322.328	0.820	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)nc1	ZINC000730830805	664817909	/nfs/dbraw/zinc/81/79/09/664817909.db2.gz	UHEDUVPEHQHJKW-UHFFFAOYSA-N	-1	0	313.317	0.853	20	30		DCEDRM
Cc1nnc(NN=Cc2cnc(N3CCCC3)nc2)[n-]c1=O	ZINC000914771928	664822675	/nfs/dbraw/zinc/82/26/75/664822675.db2.gz	LPIYEDVRLFAZKO-UHFFFAOYSA-N	-1	0	300.326	0.722	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(C)c1	ZINC000193412045	664873659	/nfs/dbraw/zinc/87/36/59/664873659.db2.gz	VZALBQJTPSTUGC-NSHDSACASA-N	-1	0	305.290	0.988	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2)n1	ZINC000193426239	664875240	/nfs/dbraw/zinc/87/52/40/664875240.db2.gz	IUXRKVSPVJZJKT-ZDUSSCGKSA-N	-1	0	312.329	0.957	20	30		DCEDRM
COC(=O)[C@@H](CF)[N-]S(=O)(=O)Cc1csc(C#N)c1	ZINC000915669244	664936223	/nfs/dbraw/zinc/93/62/23/664936223.db2.gz	LHIZRMIJOGBZNM-SECBINFHSA-N	-1	0	306.340	0.550	20	30		DCEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1	ZINC000732909584	664973936	/nfs/dbraw/zinc/97/39/36/664973936.db2.gz	CVIDAHROVGOCGY-ZDUSSCGKSA-N	-1	0	320.370	0.575	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2c(c1)NC(=O)CO2	ZINC000916869700	665098118	/nfs/dbraw/zinc/09/81/18/665098118.db2.gz	NRUBPQKKVPTRGF-NSHDSACASA-N	-1	0	313.313	0.962	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1sc(-c2ncccn2)nc1C	ZINC000917430890	665132980	/nfs/dbraw/zinc/13/29/80/665132980.db2.gz	HOXNKLIRMOSXFU-QMMMGPOBSA-N	-1	0	301.331	0.977	20	30		DCEDRM
COC(=O)COc1cccc(C([O-])=C(C#N)C(=O)NC2CC2)c1	ZINC000918487445	665172036	/nfs/dbraw/zinc/17/20/36/665172036.db2.gz	SYTBMRQNHCPNHK-ZDUSSCGKSA-N	-1	0	316.313	0.839	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(S(C)(=O)=O)cc1	ZINC000130632378	665194355	/nfs/dbraw/zinc/19/43/55/665194355.db2.gz	LWEJCYLOTRSOEH-LBPRGKRZSA-N	-1	0	308.359	0.937	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000733721549	666808244	/nfs/dbraw/zinc/80/82/44/666808244.db2.gz	AYJTWZMELVEHJY-GWCFXTLKSA-N	-1	0	324.358	0.560	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000863749043	667174225	/nfs/dbraw/zinc/17/42/25/667174225.db2.gz	WGBLZMFSPKSPLB-CHWSQXEVSA-N	-1	0	304.346	0.041	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)C1CCCC1	ZINC000863746297	667174434	/nfs/dbraw/zinc/17/44/34/667174434.db2.gz	IXCZBNZDEMBZNC-TZMCWYRMSA-N	-1	0	320.389	0.960	20	30		DCEDRM
C[C@@H]1CC/C(=C/C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1	ZINC000863934421	667194959	/nfs/dbraw/zinc/19/49/59/667194959.db2.gz	JISDZHPANVCSEA-KMFOOYFMSA-N	-1	0	314.345	0.950	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](OCC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000864145264	667219065	/nfs/dbraw/zinc/21/90/65/667219065.db2.gz	HKOORIWCLZFBCI-GRYCIOLGSA-N	-1	0	301.339	0.200	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000864186374	667222804	/nfs/dbraw/zinc/22/28/04/667222804.db2.gz	OFGYVIRAVPAAGW-ZCFIWIBFSA-N	-1	0	302.674	0.654	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)[O-]	ZINC000864186068	667222839	/nfs/dbraw/zinc/22/28/39/667222839.db2.gz	IIQFRPLGYCFMMT-RKDXNWHRSA-N	-1	0	309.771	0.666	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)[O-]	ZINC000864186038	667222955	/nfs/dbraw/zinc/22/29/55/667222955.db2.gz	HPQJRBMWFGCTJQ-QMMMGPOBSA-N	-1	0	309.713	0.758	20	30		DCEDRM
C#CCOc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC000864583435	667263339	/nfs/dbraw/zinc/26/33/39/667263339.db2.gz	SOBRTEWCSCYFOO-DGCLKSJQSA-N	-1	0	304.302	0.750	20	30		DCEDRM
C#CCCCS(=O)(=O)[N-]c1ccccc1S(=O)(=O)NC	ZINC000710070014	667445887	/nfs/dbraw/zinc/44/58/87/667445887.db2.gz	LRSNZOKQFCYTNL-UHFFFAOYSA-N	-1	0	316.404	0.750	20	30		DCEDRM
CC(C)C[C@H](C(=O)[O-])N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC000923271071	667489935	/nfs/dbraw/zinc/48/99/35/667489935.db2.gz	KCGYOBCHZQEHLZ-NQBHXWOUSA-N	-1	0	300.380	0.356	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@H](C)CC2	ZINC000870137936	667713303	/nfs/dbraw/zinc/71/33/03/667713303.db2.gz	FLJWCKWRJXSJIH-MNOVXSKESA-N	-1	0	304.350	0.550	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1	ZINC000838918248	667717689	/nfs/dbraw/zinc/71/76/89/667717689.db2.gz	VHGSKMQJFKIPIH-UHFFFAOYSA-N	-1	0	324.362	0.746	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)OCC)C1	ZINC000870331145	667731783	/nfs/dbraw/zinc/73/17/83/667731783.db2.gz	KNTIERBCCUAKKL-WDEREUQCSA-N	-1	0	301.364	0.435	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](OCC)[C@H]2CCOC2)CC1	ZINC000870369056	667734796	/nfs/dbraw/zinc/73/47/96/667734796.db2.gz	JFMNVZYKAHXAFT-NWDGAFQWSA-N	-1	0	317.407	0.983	20	30		DCEDRM
CC(C)CC(=O)NCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123222297	667747453	/nfs/dbraw/zinc/74/74/53/667747453.db2.gz	FUDQATOAUGQYAG-NSHDSACASA-N	-1	0	304.350	0.864	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCOC[C@@H]2OC)CC1	ZINC000870837429	667765551	/nfs/dbraw/zinc/76/55/51/667765551.db2.gz	LISSAKDBHMJLCY-QWRGUYRKSA-N	-1	0	303.380	0.593	20	30		DCEDRM
CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000744005970	667819465	/nfs/dbraw/zinc/81/94/65/667819465.db2.gz	BIYBISGGAJBDAT-UHFFFAOYSA-N	-1	0	323.374	0.670	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)CCOc1ccccc1	ZINC000744301158	667825132	/nfs/dbraw/zinc/82/51/32/667825132.db2.gz	UAHRNBPDLAOHNP-UHFFFAOYSA-N	-1	0	314.388	0.768	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)C1	ZINC000871967222	667860579	/nfs/dbraw/zinc/86/05/79/667860579.db2.gz	GYRFPMMKPDXHGI-UHFFFAOYSA-N	-1	0	302.258	0.807	20	30		DCEDRM
O=C([O-])CNN=Cc1ccc(OCCN2CCOCC2)cc1	ZINC000872377732	667892710	/nfs/dbraw/zinc/89/27/10/667892710.db2.gz	IQAZYJZJWTYTNE-UHFFFAOYSA-N	-1	0	307.350	0.406	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@@](C)(C#N)C1	ZINC000887684159	667901098	/nfs/dbraw/zinc/90/10/98/667901098.db2.gz	BRBXNBUEGZBEBB-NSHDSACASA-N	-1	0	307.272	0.585	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CCO[C@@](C)(C#N)C2)c1	ZINC000887690136	667901517	/nfs/dbraw/zinc/90/15/17/667901517.db2.gz	HCDSSQYLCRHBCD-OYHNWAKOSA-N	-1	0	322.386	0.944	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@H]2C2CCCC2)c(=O)[n-]c1=O	ZINC000889413741	667964673	/nfs/dbraw/zinc/96/46/73/667964673.db2.gz	GDYXTQYZTMHYRF-LBPRGKRZSA-N	-1	0	302.334	0.612	20	30		DCEDRM
CC(=O)c1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n(C)c1	ZINC000753945814	668038538	/nfs/dbraw/zinc/03/85/38/668038538.db2.gz	UZLOEIKXCAXEJK-UHFFFAOYSA-N	-1	0	309.347	0.591	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2ccncn2)CCC1	ZINC000755856461	668068244	/nfs/dbraw/zinc/06/82/44/668068244.db2.gz	KOFOGNLJZNORPK-UHFFFAOYSA-N	-1	0	308.363	0.549	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1([C@@H]2CCCCO2)CCOCC1	ZINC000873514296	668087454	/nfs/dbraw/zinc/08/74/54/668087454.db2.gz	QPIDDAWRINGTNI-LBPRGKRZSA-N	-1	0	317.407	0.984	20	30		DCEDRM
O=C([O-])Cn1cc(C=CC(=O)c2ccc3[nH]c(=O)[nH]c3c2)nn1	ZINC000759077949	668205649	/nfs/dbraw/zinc/20/56/49/668205649.db2.gz	XEZAJEZJBSPVOK-DUXPYHPUSA-N	-1	0	313.273	0.841	20	30		DCEDRM
C#C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@@H]1CCCO1	ZINC000759204405	668210113	/nfs/dbraw/zinc/21/01/13/668210113.db2.gz	XJJVOUKBWFFDJX-BDAKNGLRSA-N	-1	0	306.284	0.741	20	30		DCEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C#N)cn2C)cn1	ZINC000759807938	668239371	/nfs/dbraw/zinc/23/93/71/668239371.db2.gz	YDTJHVKVPFXIRD-UHFFFAOYSA-N	-1	0	320.330	0.419	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2coc(C(N)=O)c2)cc1	ZINC000760179234	668261077	/nfs/dbraw/zinc/26/10/77/668261077.db2.gz	IQPGGVSLJHDIQH-UHFFFAOYSA-N	-1	0	319.298	0.369	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1	ZINC000762052912	668345021	/nfs/dbraw/zinc/34/50/21/668345021.db2.gz	OHCOVIMHRZMHDR-LLVKDONJSA-N	-1	0	318.395	0.147	20	30		DCEDRM
CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000762622054	668369349	/nfs/dbraw/zinc/36/93/49/668369349.db2.gz	BBEPYNLDZOEZHN-UHFFFAOYSA-N	-1	0	324.358	0.952	20	30		DCEDRM
COc1ccc(C=NNS(C)(=O)=O)c(OCC(=O)[O-])c1	ZINC000764704201	668458502	/nfs/dbraw/zinc/45/85/02/668458502.db2.gz	KZNKHOCDDPACHD-UHFFFAOYSA-N	-1	0	302.308	0.042	20	30		DCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)/C=C/c1ccccc1C#N	ZINC000765640744	668503254	/nfs/dbraw/zinc/50/32/54/668503254.db2.gz	IELQDSBLIFNSNR-VOTSOKGWSA-N	-1	0	316.342	0.810	20	30		DCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000765655543	668504288	/nfs/dbraw/zinc/50/42/88/668504288.db2.gz	OIZOSYXIPUGEEU-UHFFFAOYSA-N	-1	0	304.331	0.605	20	30		DCEDRM
CON=Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccnn2C)cc1	ZINC000765660509	668504457	/nfs/dbraw/zinc/50/44/57/668504457.db2.gz	CNPKSXBYFSCSJU-UHFFFAOYSA-N	-1	0	322.346	0.519	20	30		DCEDRM
COC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000766857873	668548545	/nfs/dbraw/zinc/54/85/45/668548545.db2.gz	NMSRFGYZIQOUCH-UHFFFAOYSA-N	-1	0	322.342	0.457	20	30		DCEDRM
COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000768220303	668603269	/nfs/dbraw/zinc/60/32/69/668603269.db2.gz	QHKJVGKVUSHKAH-UHFFFAOYSA-N	-1	0	318.376	0.342	20	30		DCEDRM
O=C([O-])Cn1cc(C=C2CCc3[nH]c(=O)ccc3C2=O)nn1	ZINC000769613805	668655096	/nfs/dbraw/zinc/65/50/96/668655096.db2.gz	FVVKBGGTBSLNBG-VMPITWQZSA-N	-1	0	300.274	0.676	20	30		DCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2ncc(C#N)cc2Cl)C1=O	ZINC000769836988	668665651	/nfs/dbraw/zinc/66/56/51/668665651.db2.gz	YMYHHELWWXLOSH-ZDUSSCGKSA-N	-1	0	321.724	0.972	20	30		DCEDRM
Cc1noc(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)n1	ZINC000771076002	668730216	/nfs/dbraw/zinc/73/02/16/668730216.db2.gz	NZUYNRLFPYDTEQ-UHFFFAOYSA-N	-1	0	312.351	0.451	20	30		DCEDRM
CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771076166	668730240	/nfs/dbraw/zinc/73/02/40/668730240.db2.gz	FOEFXPUSPXLWSL-UHFFFAOYSA-N	-1	0	315.395	0.289	20	30		DCEDRM
N#CCSCCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000805447822	668748905	/nfs/dbraw/zinc/74/89/05/668748905.db2.gz	DEKKPCOKNHNBPN-UHFFFAOYSA-N	-1	0	307.335	0.261	20	30		DCEDRM
CCOC(=O)CON=C(C(=O)[N-]OCC(F)F)c1cc[nH]n1	ZINC000772545430	668777829	/nfs/dbraw/zinc/77/78/29/668777829.db2.gz	DAVAJDCJSHOFQH-UHFFFAOYSA-N	-1	0	320.252	0.006	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)cc1	ZINC000772713001	668781829	/nfs/dbraw/zinc/78/18/29/668781829.db2.gz	LQUMXRNSEYXCAX-UHFFFAOYSA-N	-1	0	310.375	0.769	20	30		DCEDRM
C[C@@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000774207392	668826863	/nfs/dbraw/zinc/82/68/63/668826863.db2.gz	JNAIFVFSTJPCIQ-MNOVXSKESA-N	-1	0	300.380	0.799	20	30		DCEDRM
COC(=O)CSCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776121247	668871161	/nfs/dbraw/zinc/87/11/61/668871161.db2.gz	BSUNAMIMQOIIRO-UHFFFAOYSA-N	-1	0	308.381	0.032	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000776143133	668871586	/nfs/dbraw/zinc/87/15/86/668871586.db2.gz	DSAITZMFYJTVSY-UHFFFAOYSA-N	-1	0	321.358	0.933	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccccc2)CC1	ZINC000776600203	668879071	/nfs/dbraw/zinc/87/90/71/668879071.db2.gz	IVOVZQSCRKHGSV-VXGBXAGGSA-N	-1	0	324.358	0.396	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)CN2CCOCC2)n1	ZINC000778847807	668904789	/nfs/dbraw/zinc/90/47/89/668904789.db2.gz	DDNGAPLDIHECKD-NSHDSACASA-N	-1	0	323.374	0.503	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cn2ccccc2=O)CCCC1	ZINC000779317914	668909550	/nfs/dbraw/zinc/90/95/50/668909550.db2.gz	KXSLAZIYQQRIEG-UHFFFAOYSA-N	-1	0	323.374	0.378	20	30		DCEDRM
CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779320332	668909795	/nfs/dbraw/zinc/90/97/95/668909795.db2.gz	VXCNYRNKGOCCNS-GHMZBOCLSA-N	-1	0	300.380	0.941	20	30		DCEDRM
COc1cc(C=NNC2=NC[C@@H](C)N2)ccc1OCCC(=O)[O-]	ZINC000783863255	669179056	/nfs/dbraw/zinc/17/90/56/669179056.db2.gz	QTPOCMXMROERNA-SNVBAGLBSA-N	-1	0	320.349	0.820	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@H]1C[C@@]13CCOC3)cc2=O	ZINC000784734756	669219112	/nfs/dbraw/zinc/21/91/12/669219112.db2.gz	OBYVDCDEAVYHIB-IAQYHMDHSA-N	-1	0	314.301	0.776	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(N(C)C(C)=O)cc1	ZINC000786305046	669303622	/nfs/dbraw/zinc/30/36/22/669303622.db2.gz	YTFIKRPCQDWNIQ-AWEZNQCLSA-N	-1	0	317.345	0.754	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CN(C)C(=O)c2ccccc21	ZINC000786472152	669314332	/nfs/dbraw/zinc/31/43/32/669314332.db2.gz	BPEIIYAQWQERGA-GFCCVEGCSA-N	-1	0	308.359	0.488	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC000788342950	669432477	/nfs/dbraw/zinc/43/24/77/669432477.db2.gz	JJYLCONISPQBDS-VIFPVBQESA-N	-1	0	307.281	0.720	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nc1	ZINC000791111027	669594370	/nfs/dbraw/zinc/59/43/70/669594370.db2.gz	LLHPFOVUSDZNTJ-UHFFFAOYSA-N	-1	0	307.375	0.765	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cncc(Br)c1	ZINC000791111000	669594625	/nfs/dbraw/zinc/59/46/25/669594625.db2.gz	KFJSNOJRSBXLHE-UHFFFAOYSA-N	-1	0	317.164	0.927	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1CCN(c2cnccn2)CC1	ZINC000791111569	669594628	/nfs/dbraw/zinc/59/46/28/669594628.db2.gz	ULMKUQUVSRKTAC-UHFFFAOYSA-N	-1	0	322.390	0.162	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)N(C)C)cc1	ZINC000810772668	669665153	/nfs/dbraw/zinc/66/51/53/669665153.db2.gz	ACOQOYJWVBUMDL-UHFFFAOYSA-N	-1	0	308.359	0.471	20	30		DCEDRM
CC[C@H](NN=Cc1c(C)nn(CCC(=O)OC)c1C)C(=O)[O-]	ZINC000793058576	669699880	/nfs/dbraw/zinc/69/98/80/669699880.db2.gz	VYWXVPVXBJTYOZ-LBPRGKRZSA-N	-1	0	310.354	0.850	20	30		DCEDRM
CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793205757	669707177	/nfs/dbraw/zinc/70/71/77/669707177.db2.gz	ZELFZTZTRPOTFT-UHFFFAOYSA-N	-1	0	315.395	0.289	20	30		DCEDRM
COc1ccccc1CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793204006	669707556	/nfs/dbraw/zinc/70/75/56/669707556.db2.gz	INNMOHVLMUBUNT-UHFFFAOYSA-N	-1	0	308.359	0.987	20	30		DCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCC1	ZINC000793224759	669708456	/nfs/dbraw/zinc/70/84/56/669708456.db2.gz	TUVKOZNHQVGXDZ-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)ccn1	ZINC000795015944	669870748	/nfs/dbraw/zinc/87/07/48/669870748.db2.gz	MAFMINCHNYJTHS-CYBMUJFWSA-N	-1	0	305.301	0.986	20	30		DCEDRM
CNC(=O)NCCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000795618941	669903976	/nfs/dbraw/zinc/90/39/76/669903976.db2.gz	RJMNSRPOUWNNBM-VIFPVBQESA-N	-1	0	324.362	0.490	20	30		DCEDRM
COC[C@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000158606959	669927330	/nfs/dbraw/zinc/92/73/30/669927330.db2.gz	BLWXRPYHAIYWIN-VIFPVBQESA-N	-1	0	302.283	0.075	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000187554890	669936658	/nfs/dbraw/zinc/93/66/58/669936658.db2.gz	OJXTZKWGECUHDM-LBPRGKRZSA-N	-1	0	301.368	0.454	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796872226	669944690	/nfs/dbraw/zinc/94/46/90/669944690.db2.gz	MWTCFOGYZROIQF-SECBINFHSA-N	-1	0	320.330	0.554	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H]1CCCc2c[nH]nc21)C(=O)[O-]	ZINC000797724428	669974333	/nfs/dbraw/zinc/97/43/33/669974333.db2.gz	LXGNFRBHCUHYJC-GHMZBOCLSA-N	-1	0	308.338	0.742	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@H]1CCCc2c[nH]nc21)C(=O)[O-]	ZINC000797724434	669974340	/nfs/dbraw/zinc/97/43/40/669974340.db2.gz	LXGNFRBHCUHYJC-WDEREUQCSA-N	-1	0	308.338	0.742	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2cc(C#N)oc2C)cn1	ZINC000797952045	669981896	/nfs/dbraw/zinc/98/18/96/669981896.db2.gz	PVSLPNMWMBNVPQ-UHFFFAOYSA-N	-1	0	308.319	0.795	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(C(=O)N(C)C)c1	ZINC000798203295	669991954	/nfs/dbraw/zinc/99/19/54/669991954.db2.gz	XGTFURNWRJCEAP-UHFFFAOYSA-N	-1	0	308.359	0.471	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)CCC(C)=O	ZINC000800405652	670089607	/nfs/dbraw/zinc/08/96/07/670089607.db2.gz	BXSAKSNFWPOJMM-UHFFFAOYSA-N	-1	0	310.331	0.741	20	30		DCEDRM
Cc1[nH]c(C=NNC(=S)NC[C@@H]2CCCO2)cc1C(=O)[O-]	ZINC000800807383	670100682	/nfs/dbraw/zinc/10/06/82/670100682.db2.gz	WGZKTAJZNUXVIK-JTQLQIEISA-N	-1	0	310.379	0.998	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnn(CCF)c1	ZINC000808978690	670433050	/nfs/dbraw/zinc/43/30/50/670433050.db2.gz	POEJQYHUHJNZGS-LBPRGKRZSA-N	-1	0	310.329	0.718	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cnn(CCF)c1	ZINC000808997391	670434672	/nfs/dbraw/zinc/43/46/72/670434672.db2.gz	WPCCYNJXFBGVNK-UHFFFAOYSA-N	-1	0	302.331	0.462	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC	ZINC000810699877	670494692	/nfs/dbraw/zinc/49/46/92/670494692.db2.gz	OIXUMEQXFARAEQ-UHFFFAOYSA-N	-1	0	313.379	0.592	20	30		DCEDRM
CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000195497138	670495626	/nfs/dbraw/zinc/49/56/26/670495626.db2.gz	PNFDSBHNSWOGOV-STQMWFEESA-N	-1	0	308.359	0.929	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cn1c(C)nc2ccccc21	ZINC000810772785	670496530	/nfs/dbraw/zinc/49/65/30/670496530.db2.gz	FJTSNXYDENUSTH-UHFFFAOYSA-N	-1	0	305.359	0.814	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccccc1	ZINC000810772228	670496624	/nfs/dbraw/zinc/49/66/24/670496624.db2.gz	WTWLPHWTVCMYHG-LLVKDONJSA-N	-1	0	308.359	0.274	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ncsc1Br	ZINC000810777790	670497145	/nfs/dbraw/zinc/49/71/45/670497145.db2.gz	PGUYLBOQCYYTFE-UHFFFAOYSA-N	-1	0	323.193	0.989	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C1CCCCC1	ZINC000810778017	670497165	/nfs/dbraw/zinc/49/71/65/670497165.db2.gz	LPQLUPFRVSJEFH-NSHDSACASA-N	-1	0	314.407	0.541	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cn1ccc2ccccc2c1=O	ZINC000810776469	670497186	/nfs/dbraw/zinc/49/71/86/670497186.db2.gz	URLGMRPBOOYUIT-UHFFFAOYSA-N	-1	0	318.354	0.471	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1-n1cccn1	ZINC000810779694	670497555	/nfs/dbraw/zinc/49/75/55/670497555.db2.gz	XSHKAIAMFVPXFU-UHFFFAOYSA-N	-1	0	303.343	0.955	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C)nc2c1c(C)nn2C	ZINC000810780731	670497743	/nfs/dbraw/zinc/49/77/43/670497743.db2.gz	OVBBFDGJVRPXAC-UHFFFAOYSA-N	-1	0	320.374	0.668	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(-c2cccc(C)c2)nn1	ZINC000810781741	670497785	/nfs/dbraw/zinc/49/77/85/670497785.db2.gz	CFXFAYNQDICHRG-UHFFFAOYSA-N	-1	0	318.358	0.659	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cc(C(C)=O)ccc1OC	ZINC000810784256	670498056	/nfs/dbraw/zinc/49/80/56/670498056.db2.gz	YGSTUNBBEKPKDW-UHFFFAOYSA-N	-1	0	323.370	0.910	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](OC)c2cnn(C)c2)CC1	ZINC000810988907	670502457	/nfs/dbraw/zinc/50/24/57/670502457.db2.gz	SHNBGLORLDRKFB-NSHDSACASA-N	-1	0	313.379	0.662	20	30		DCEDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000811142376	670509710	/nfs/dbraw/zinc/50/97/10/670509710.db2.gz	FMIYUOHTQTURQL-UHFFFAOYSA-N	-1	0	304.368	0.571	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCC#N)cc1C(N)=O	ZINC000847643822	670585260	/nfs/dbraw/zinc/58/52/60/670585260.db2.gz	HDMBVAYHBZTCTB-UHFFFAOYSA-N	-1	0	323.374	0.983	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000812781655	670595123	/nfs/dbraw/zinc/59/51/23/670595123.db2.gz	BKWXBMQYYNFUMB-SECBINFHSA-N	-1	0	323.330	0.942	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1	ZINC000812786496	670595730	/nfs/dbraw/zinc/59/57/30/670595730.db2.gz	LWKBVKPVRXWQEV-UKRRQHHQSA-N	-1	0	302.330	0.896	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2	ZINC000812785617	670595925	/nfs/dbraw/zinc/59/59/25/670595925.db2.gz	YSUVKRPLDCWYRE-GFCCVEGCSA-N	-1	0	316.313	0.701	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1	ZINC000812785262	670595941	/nfs/dbraw/zinc/59/59/41/670595941.db2.gz	JUKVMTMLBKEWHJ-AWEZNQCLSA-N	-1	0	322.386	0.829	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1)OCC	ZINC000847845912	670605380	/nfs/dbraw/zinc/60/53/80/670605380.db2.gz	DPYDNPSHPKJQRL-LBPRGKRZSA-N	-1	0	315.395	0.737	20	30		DCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1	ZINC000847997562	670618537	/nfs/dbraw/zinc/61/85/37/670618537.db2.gz	UCRPENUDNKKVQJ-UHFFFAOYSA-N	-1	0	313.335	0.347	20	30		DCEDRM
N#C[C@@H](CO)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S	ZINC000854872983	670648956	/nfs/dbraw/zinc/64/89/56/670648956.db2.gz	RAUCDSYEOYKSTO-VIFPVBQESA-N	-1	0	318.358	0.076	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)c1	ZINC000813982730	670667694	/nfs/dbraw/zinc/66/76/94/670667694.db2.gz	PYJIOSRPKPXEEQ-UHFFFAOYSA-N	-1	0	321.274	0.308	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000848580651	670698199	/nfs/dbraw/zinc/69/81/99/670698199.db2.gz	CPBJWROJDUUEBX-JTQLQIEISA-N	-1	0	306.384	0.243	20	30		DCEDRM
O=C([O-])CNN=C1C(=O)Nc2c1cc(F)cc2Br	ZINC000814957104	670709205	/nfs/dbraw/zinc/70/92/05/670709205.db2.gz	USSOEJKDNPNAQU-UHFFFAOYSA-N	-1	0	316.086	0.919	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1cc(C(C)(C)C)on1	ZINC000849219646	670766710	/nfs/dbraw/zinc/76/67/10/670766710.db2.gz	SJFIXNGMMOCBHY-UHFFFAOYSA-N	-1	0	314.363	0.822	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCC1(CS(C)(=O)=O)CC1	ZINC000849238128	670768820	/nfs/dbraw/zinc/76/88/20/670768820.db2.gz	QWAOMSXLNNTWJI-UHFFFAOYSA-N	-1	0	318.395	0.484	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1	ZINC000856028211	670776976	/nfs/dbraw/zinc/77/69/76/670776976.db2.gz	OAPIHSWGWACCFJ-KGLIPLIRSA-N	-1	0	305.334	0.604	20	30		DCEDRM
C=CCCO[N-]C(=O)CNS(=O)(=O)c1ccccc1F	ZINC000856028904	670777389	/nfs/dbraw/zinc/77/73/89/670777389.db2.gz	RCVLLICVVIMLPC-UHFFFAOYSA-N	-1	0	302.327	0.728	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nn(C)cc1Br	ZINC000815997429	670779023	/nfs/dbraw/zinc/77/90/23/670779023.db2.gz	LPRINSLLFYVRCG-UHFFFAOYSA-N	-1	0	308.157	0.428	20	30		DCEDRM
CO[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)C1	ZINC000816014637	670779438	/nfs/dbraw/zinc/77/94/38/670779438.db2.gz	IICWFFIKCNNDFH-MNOVXSKESA-N	-1	0	300.380	0.941	20	30		DCEDRM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccn2nnnc2c1	ZINC000850757215	670938603	/nfs/dbraw/zinc/93/86/03/670938603.db2.gz	HQYCXEADKCFPMN-LBPRGKRZSA-N	-1	0	312.333	0.896	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(Cn2ccnn2)c1	ZINC000850758497	670938616	/nfs/dbraw/zinc/93/86/16/670938616.db2.gz	GSAAKVQZOHELLO-CQSZACIVSA-N	-1	0	309.329	0.927	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)c(OC)c1	ZINC000850758033	670938685	/nfs/dbraw/zinc/93/86/85/670938685.db2.gz	WWPIEDHPKNAJMJ-LBPRGKRZSA-N	-1	0	301.302	0.652	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])[C@H]1CCCO1	ZINC000850786745	670940020	/nfs/dbraw/zinc/94/00/20/670940020.db2.gz	PHMDKGZRMTYLPJ-MWLCHTKSSA-N	-1	0	317.301	0.015	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)ccc1C#N	ZINC000850828493	670945872	/nfs/dbraw/zinc/94/58/72/670945872.db2.gz	MZRRVXWBPIMTLE-UHFFFAOYSA-N	-1	0	311.363	0.882	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C1CCCCC1	ZINC000817897035	670951143	/nfs/dbraw/zinc/95/11/43/670951143.db2.gz	CGAYQKFRJSMTCP-ZDUSSCGKSA-N	-1	0	322.361	0.093	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](OC)c1cccc(OC)c1	ZINC000850999467	670960329	/nfs/dbraw/zinc/96/03/29/670960329.db2.gz	GBOAPAKZHWVIGI-ZDUSSCGKSA-N	-1	0	311.359	0.852	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCc1ccccc1F	ZINC000851326640	670978130	/nfs/dbraw/zinc/97/81/30/670978130.db2.gz	SCUPHAAOUMMXSA-NSHDSACASA-N	-1	0	313.350	0.853	20	30		DCEDRM
CCn1nc(C)c(CNS(=O)(=O)c2ccccc2C#N)n1	ZINC000819887941	671143352	/nfs/dbraw/zinc/14/33/52/671143352.db2.gz	PQJIYKIGUPUSPA-UHFFFAOYSA-N	-1	0	305.363	0.957	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000819935262	671147975	/nfs/dbraw/zinc/14/79/75/671147975.db2.gz	JUFLGQXZQCTPLW-UHFFFAOYSA-N	-1	0	313.379	0.531	20	30		DCEDRM
CC(CS(C)(=O)=O)=NNCc1ccc(-c2nn[nH]n2)cc1	ZINC000820291917	671189564	/nfs/dbraw/zinc/18/95/64/671189564.db2.gz	AAOJJAWDZJMUSI-UHFFFAOYSA-N	-1	0	308.367	0.377	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(C(N)=O)o1	ZINC000853113999	671209743	/nfs/dbraw/zinc/20/97/43/671209743.db2.gz	HWPIZEBDXLSCAY-XQRVVYSFSA-N	-1	0	311.319	0.141	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn2cc(C)ccc2n1	ZINC000860467679	671211360	/nfs/dbraw/zinc/21/13/60/671211360.db2.gz	FLJYWBLGRMYRNL-LLVKDONJSA-N	-1	0	300.318	0.728	20	30		DCEDRM
COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C)OC	ZINC000853208698	671219752	/nfs/dbraw/zinc/21/97/52/671219752.db2.gz	WQIPKUBUZSOWFM-JTQLQIEISA-N	-1	0	316.335	0.181	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@]1(C2CCCC2)CCNC1=O	ZINC000860631010	671225390	/nfs/dbraw/zinc/22/53/90/671225390.db2.gz	LTWDPNORTBOKCT-ZDUSSCGKSA-N	-1	0	300.380	0.315	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C/c2cccc(F)c2)c(=O)n(C)c1=O	ZINC000821012829	671245738	/nfs/dbraw/zinc/24/57/38/671245738.db2.gz	OUKJXAIXEPNRHJ-VOTSOKGWSA-N	-1	0	304.277	0.825	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CCC(=O)OC)CCOCC1	ZINC000821073725	671250789	/nfs/dbraw/zinc/25/07/89/671250789.db2.gz	MAZRPWUZHXRRGC-UHFFFAOYSA-N	-1	0	319.379	0.368	20	30		DCEDRM
CO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000861012998	671259818	/nfs/dbraw/zinc/25/98/18/671259818.db2.gz	AHMQXPUOMFIFBH-MRVPVSSYSA-N	-1	0	300.311	0.678	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-c2nn[nH]n2)s1	ZINC000822801104	671346112	/nfs/dbraw/zinc/34/61/12/671346112.db2.gz	DSVXHSCSHRQRKS-ZETCQYMHSA-N	-1	0	302.319	0.529	20	30		DCEDRM
C[C@H]1CCCCN1C(=O)Cn1cnc(C#N)c1-c1nn[nH]n1	ZINC000824939941	671444465	/nfs/dbraw/zinc/44/44/65/671444465.db2.gz	YHVWOBCJEJLBMS-VIFPVBQESA-N	-1	0	300.326	0.336	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC000829582492	671580599	/nfs/dbraw/zinc/58/05/99/671580599.db2.gz	NCMJJIZBYRPXQZ-CQSZACIVSA-N	-1	0	318.421	0.589	20	30		DCEDRM
C=CCC1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCCC1	ZINC000830923430	671646823	/nfs/dbraw/zinc/64/68/23/671646823.db2.gz	CRYDTTPTDUWWCM-UHFFFAOYSA-N	-1	0	302.396	0.705	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000831033885	671651152	/nfs/dbraw/zinc/65/11/52/671651152.db2.gz	MLFHXLJROLLQPF-GHMZBOCLSA-N	-1	0	318.395	0.339	20	30		DCEDRM
COC(=O)CN(CC#N)CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000831164950	671656691	/nfs/dbraw/zinc/65/66/91/671656691.db2.gz	WCCYOZQADIVCFL-UHFFFAOYSA-N	-1	0	305.290	0.322	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(Br)n(C)n1	ZINC000835371011	671794684	/nfs/dbraw/zinc/79/46/84/671794684.db2.gz	CVIRAKPMJGCHLM-UHFFFAOYSA-N	-1	0	320.168	0.266	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OC(F)(F)O2	ZINC000835409987	671795584	/nfs/dbraw/zinc/79/55/84/671795584.db2.gz	PBDCDUGXYGPBFY-UHFFFAOYSA-N	-1	0	318.257	0.981	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccnc(OC(F)F)c1	ZINC000835409736	671795635	/nfs/dbraw/zinc/79/56/35/671795635.db2.gz	KRQWKJURJIYWIR-UHFFFAOYSA-N	-1	0	305.262	0.656	20	30		DCEDRM
COC(=O)c1ccccc1CCC(=O)[N-]S(=O)(=O)CCC#N	ZINC000835411466	671795782	/nfs/dbraw/zinc/79/57/82/671795782.db2.gz	PKHJSQXQAKSCMP-UHFFFAOYSA-N	-1	0	324.358	0.765	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000837843693	671880744	/nfs/dbraw/zinc/88/07/44/671880744.db2.gz	VKSKIJMGQKIJDA-JTQLQIEISA-N	-1	0	322.342	0.590	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)CCC(F)(F)F)nn1	ZINC000842785198	672036959	/nfs/dbraw/zinc/03/69/59/672036959.db2.gz	DZKXRQROEBWHOJ-UHFFFAOYSA-N	-1	0	312.273	0.476	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C	ZINC000842885969	672045126	/nfs/dbraw/zinc/04/51/26/672045126.db2.gz	DHJSSMWRILQVFE-UHFFFAOYSA-N	-1	0	317.319	0.382	20	30		DCEDRM
CC1(C(=O)[O-])CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1	ZINC000843036757	672055264	/nfs/dbraw/zinc/05/52/64/672055264.db2.gz	RMKIWFCHQJJACX-UHFFFAOYSA-N	-1	0	323.374	0.897	20	30		DCEDRM
CC(C)(C)OC(=O)COCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000844131283	672151703	/nfs/dbraw/zinc/15/17/03/672151703.db2.gz	MLSGTSBFMMBAQP-UHFFFAOYSA-N	-1	0	305.294	0.450	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000867352801	672173367	/nfs/dbraw/zinc/17/33/67/672173367.db2.gz	RKFQQJWPIMWVPR-ZJUUUORDSA-N	-1	0	301.320	0.688	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)[O-]	ZINC000844787813	672202919	/nfs/dbraw/zinc/20/29/19/672202919.db2.gz	ZWBAPJQQQKSNBT-WDEREUQCSA-N	-1	0	303.384	0.722	20	30		DCEDRM
CO[C@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C(F)(F)F	ZINC000845501319	672253823	/nfs/dbraw/zinc/25/38/23/672253823.db2.gz	GEDPIDVTOWGBSP-SSDOTTSWSA-N	-1	0	316.301	0.950	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1	ZINC000846146174	672297542	/nfs/dbraw/zinc/29/75/42/672297542.db2.gz	GHRAYGIKVQAZOB-CYBMUJFWSA-N	-1	0	319.317	0.474	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(NC(=O)COC)cc1	ZINC000846150972	672297559	/nfs/dbraw/zinc/29/75/59/672297559.db2.gz	QTQOQPNKXUIIGC-UHFFFAOYSA-N	-1	0	321.333	0.834	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1	ZINC000846155292	672297919	/nfs/dbraw/zinc/29/79/19/672297919.db2.gz	FRNVNZWSEHVKJJ-ZANVPECISA-N	-1	0	319.317	0.472	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1	ZINC000846152385	672297959	/nfs/dbraw/zinc/29/79/59/672297959.db2.gz	AYABNZDUIHXAAW-ZYHUDNBSSA-N	-1	0	308.338	0.623	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CCSC)NS(=O)(=O)CC	ZINC000846546488	672326925	/nfs/dbraw/zinc/32/69/25/672326925.db2.gz	VXRLQLYEPXVNKB-UWVGGRQHSA-N	-1	0	310.441	0.670	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)c2ccc(C(=O)[O-])s2)c1N	ZINC000739145923	685327390	/nfs/dbraw/zinc/32/73/90/685327390.db2.gz	WRRVSDKMQURTTO-UHFFFAOYSA-N	-1	0	306.303	0.954	20	30		DCEDRM
COCCOCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771079536	685336895	/nfs/dbraw/zinc/33/68/95/685336895.db2.gz	MPUOXRNZUUJWMN-UHFFFAOYSA-N	-1	0	304.368	0.179	20	30		DCEDRM
COc1ccc(CNC(=O)C(C#N)=C([O-])c2cnnn2C)cc1	ZINC000798815744	685346821	/nfs/dbraw/zinc/34/68/21/685346821.db2.gz	ALBIDXXHWOQYRY-LBPRGKRZSA-N	-1	0	313.317	0.463	20	30		DCEDRM
COc1ccc(CNC(=O)C(C#N)=C([O-])c2cnnn2C)cc1	ZINC000798815742	685346851	/nfs/dbraw/zinc/34/68/51/685346851.db2.gz	ALBIDXXHWOQYRY-GFCCVEGCSA-N	-1	0	313.317	0.463	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccnn1C(F)F	ZINC000850930162	685370856	/nfs/dbraw/zinc/37/08/56/685370856.db2.gz	QXAAJEBDHBZNOV-UHFFFAOYSA-N	-1	0	306.294	0.888	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)[O-]	ZINC000149626327	685130979	/nfs/dbraw/zinc/13/09/79/685130979.db2.gz	XMJLLWKCZLFXAP-SSDOTTSWSA-N	-1	0	302.208	0.600	20	30		DCEDRM
C[C@H]1CC[C@H](NC(=O)c2cn[nH]n2)CN1C(=O)C#CC1CC1	ZINC001018248645	693068679	/nfs/dbraw/zinc/06/86/79/693068679.db2.gz	DBDQNMLANQTPER-JQWIXIFHSA-N	-1	0	301.350	0.327	20	30		DCEDRM
CC#CCN1CCO[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21	ZINC001074219726	694843630	/nfs/dbraw/zinc/84/36/30/694843630.db2.gz	VFLVORJKOLFBGB-STQMWFEESA-N	-1	0	318.377	0.362	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)C#CC(C)(C)C	ZINC001570530449	1162536480	/nfs/dbraw/zinc/53/64/80/1162536480.db2.gz	LDMMOIBLZBBTQT-GFCCVEGCSA-N	-1	0	319.409	0.983	20	30		DCEDRM
N#CCNCCCOCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001571353487	1162715259	/nfs/dbraw/zinc/71/52/59/1162715259.db2.gz	ADXLDWYHCXKTIM-UHFFFAOYSA-N	-1	0	319.321	0.178	20	30		DCEDRM
C#CCCCC(=O)NC[C@H](O)CNC(=O)c1ccccc1O	ZINC001746982660	1157836602	/nfs/dbraw/zinc/83/66/02/1157836602.db2.gz	HUMGRYDUOSVCEX-LBPRGKRZSA-N	-1	0	304.346	0.403	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2ccc3n[nH]cc3c2)c(=O)[n-]c1=O	ZINC001290605165	1159148337	/nfs/dbraw/zinc/14/83/37/1159148337.db2.gz	WPJZQYDDQBOGKM-UHFFFAOYSA-N	-1	0	324.300	0.726	20	30		DCEDRM
CCn1cc(C#N)c(NC(=O)CCS(C)(=O)=O)c1C(=O)[O-]	ZINC001573845041	1163565113	/nfs/dbraw/zinc/56/51/13/1163565113.db2.gz	VFEBJUCJDKZNNF-UHFFFAOYSA-N	-1	0	313.335	0.451	20	30		DCEDRM
COc1ncc(NC(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1C#N	ZINC001574055964	1163630280	/nfs/dbraw/zinc/63/02/80/1163630280.db2.gz	YMLJMIHTYKOGQB-VIFPVBQESA-N	-1	0	305.294	0.836	20	30		DCEDRM
Cc1cc(NC(=O)Cc2noc(C)c2C#N)n(CC(=O)[O-])n1	ZINC001574141928	1163647299	/nfs/dbraw/zinc/64/72/99/1163647299.db2.gz	WMYLPKYHIMAISO-UHFFFAOYSA-N	-1	0	303.278	0.625	20	30		DCEDRM
Cc1ccc(CNC(=O)Nc2ncn(CC(=O)[O-])n2)cc1C#N	ZINC001574154504	1163648829	/nfs/dbraw/zinc/64/88/29/1163648829.db2.gz	NMSOHJVITUYVBI-UHFFFAOYSA-N	-1	0	314.305	0.865	20	30		DCEDRM
N#C[C@]1(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])CCCOC1	ZINC001574240974	1163671852	/nfs/dbraw/zinc/67/18/52/1163671852.db2.gz	CVJMGXOZPZOZJD-IUODEOHRSA-N	-1	0	303.318	0.514	20	30		DCEDRM
N#CC1(CNC(=O)NCc2cc(C(=O)[O-])no2)CCOCC1	ZINC001574241190	1163672279	/nfs/dbraw/zinc/67/22/79/1163672279.db2.gz	IJVFTRFCTOTGII-UHFFFAOYSA-N	-1	0	308.294	0.492	20	30		DCEDRM
N#CCc1cccc(NC(=O)N2C[C@H](C(=O)[O-])C3(COC3)C2)n1	ZINC001574242265	1163672701	/nfs/dbraw/zinc/67/27/01/1163672701.db2.gz	WNPIVZFJWVKXDV-LLVKDONJSA-N	-1	0	316.317	0.713	20	30		DCEDRM
N#Cc1cccc(CC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)c1	ZINC001574248858	1163673084	/nfs/dbraw/zinc/67/30/84/1163673084.db2.gz	AFNIURFNNIBDKN-STQMWFEESA-N	-1	0	303.318	0.188	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)cc1	ZINC001574245307	1163673740	/nfs/dbraw/zinc/67/37/40/1163673740.db2.gz	LFKIGFAOADCMHV-BBRMVZONSA-N	-1	0	318.329	0.589	20	30		DCEDRM
CCOC(=O)C[C@H](C)Sc1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001578245575	1164963829	/nfs/dbraw/zinc/96/38/29/1164963829.db2.gz	XJKRAQXCOTYBOO-ZETCQYMHSA-N	-1	0	319.350	0.962	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001579885378	1165423797	/nfs/dbraw/zinc/42/37/97/1165423797.db2.gz	YSXJRZVEBAFWJO-DTWKUNHWSA-N	-1	0	323.353	0.120	20	30		DCEDRM
N#CCN1CCN(C(=O)Nc2sccc2-c2nn[nH]n2)CC1	ZINC001581857905	1165889687	/nfs/dbraw/zinc/88/96/87/1165889687.db2.gz	JRYRMLPSWFFIBE-UHFFFAOYSA-N	-1	0	318.366	0.601	20	30		DCEDRM
N#C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1	ZINC001581856756	1165889947	/nfs/dbraw/zinc/88/99/47/1165889947.db2.gz	BXOUKQFTXHYUND-HZSPNIEDSA-N	-1	0	324.344	0.721	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1C[C@@H]1CCC[C@@]2(CCOC2)O1	ZINC001581860666	1165891804	/nfs/dbraw/zinc/89/18/04/1165891804.db2.gz	MNPHYWIFPIXOIB-HZMBPMFUSA-N	-1	0	315.337	0.663	20	30		DCEDRM
N#Cc1c(F)cc(CNc2ccnc(-c3nnn[n-]3)n2)cc1F	ZINC001581861605	1165895516	/nfs/dbraw/zinc/89/55/16/1165895516.db2.gz	XRQUPBNQPUXQJY-UHFFFAOYSA-N	-1	0	314.259	0.841	20	30		DCEDRM
N#Cc1cccc(NC(=O)Cn2cc(-c3nnn[n-]3)ccc2=O)c1	ZINC001581875957	1165896479	/nfs/dbraw/zinc/89/64/79/1165896479.db2.gz	ZHWOSQISMKMKNB-UHFFFAOYSA-N	-1	0	321.300	0.539	20	30		DCEDRM
N#Cc1ncc(Sc2cccc(C(N)=O)c2)nc1-c1nnn[n-]1	ZINC001581884852	1165903828	/nfs/dbraw/zinc/90/38/28/1165903828.db2.gz	DJOQZHRPTZJXRG-UHFFFAOYSA-N	-1	0	324.329	0.778	20	30		DCEDRM
C=CCCCC(=O)NC[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001582846108	1166110292	/nfs/dbraw/zinc/11/02/92/1166110292.db2.gz	QPADVUXEORJRLJ-SECBINFHSA-N	-1	0	323.353	0.121	20	30		DCEDRM
C=CCCOCC(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001585436227	1166434955	/nfs/dbraw/zinc/43/49/55/1166434955.db2.gz	RIOXKTVNNGGCBC-UHFFFAOYSA-N	-1	0	322.365	0.299	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cccc(F)c2O)c(=O)[n-]c1=O	ZINC001587393711	1166507176	/nfs/dbraw/zinc/50/71/76/1166507176.db2.gz	LIVIIPHOLJNYMP-UHFFFAOYSA-N	-1	0	304.237	0.304	20	30		DCEDRM
C#C[C@@H]1CCCC[C@H]1OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588332803	1166529776	/nfs/dbraw/zinc/52/97/76/1166529776.db2.gz	SKLUSBWDIDPTQD-HBNTYKKESA-N	-1	0	315.337	0.754	20	30		DCEDRM
C#CC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1	ZINC001588335622	1166532891	/nfs/dbraw/zinc/53/28/91/1166532891.db2.gz	SKAKRHXSCMDDAB-JTQLQIEISA-N	-1	0	321.362	0.884	20	30		DCEDRM
C=C(C)CO[N-]C(=O)COc1ccc(-c2nn[nH]n2)cc1OC	ZINC001588429611	1166555237	/nfs/dbraw/zinc/55/52/37/1166555237.db2.gz	ZCBPCMRFGDWCKC-UHFFFAOYSA-N	-1	0	319.321	0.878	20	30		DCEDRM
C=CCCCC(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1	ZINC001588582779	1166564635	/nfs/dbraw/zinc/56/46/35/1166564635.db2.gz	OEWWWJWVQWNTNA-UHFFFAOYSA-N	-1	0	316.369	0.305	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)n1C	ZINC001588718446	1166581127	/nfs/dbraw/zinc/58/11/27/1166581127.db2.gz	LTYIOOBIUNLNSL-SKDRFNHKSA-N	-1	0	302.338	0.669	20	30		DCEDRM
CC(C)O[C@@]1(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)CCOC1	ZINC001589738478	1166680224	/nfs/dbraw/zinc/68/02/24/1166680224.db2.gz	XLJFCZYYUWQCTI-CYBMUJFWSA-N	-1	0	318.341	0.101	20	30		DCEDRM
C[C@H]1CCC[C@]1(O)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590247969	1166827761	/nfs/dbraw/zinc/82/77/61/1166827761.db2.gz	MQFUZCBEHVUKMX-SDBXPKJASA-N	-1	0	300.326	0.491	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)Cn1cccc(-c2nnn[n-]2)c1=O	ZINC001590682156	1166971976	/nfs/dbraw/zinc/97/19/76/1166971976.db2.gz	DLTHUSSBGWFWQM-JTQLQIEISA-N	-1	0	315.337	0.037	20	30		DCEDRM
CNc1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cn1	ZINC001591224734	1167167060	/nfs/dbraw/zinc/16/70/60/1167167060.db2.gz	BVZDQNILTOHBKT-UHFFFAOYSA-N	-1	0	310.281	0.150	20	30		DCEDRM
CO[C@@H](Cn1c(N)nc(-c2nnn[n-]2)c1C#N)c1ccccc1	ZINC001591334455	1167219471	/nfs/dbraw/zinc/21/94/71/1167219471.db2.gz	UBMGJGRPQBQZAO-NSHDSACASA-N	-1	0	310.321	0.905	20	30		DCEDRM
COCCN(C)N=C1CCCc2c1c[nH]c(=O)c2-c1nnn[n-]1	ZINC001591420382	1167277072	/nfs/dbraw/zinc/27/70/72/1167277072.db2.gz	GINHUSFXMAWINJ-UHFFFAOYSA-N	-1	0	317.353	0.586	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@@]1(C#N)CC1(C)C	ZINC001591834811	1167391249	/nfs/dbraw/zinc/39/12/49/1167391249.db2.gz	RHOVFHUUYZIZAX-CQSZACIVSA-N	-1	0	313.321	0.698	20	30		DCEDRM
Cn1c(=O)[nH]c(Nc2cccc(CC#N)c2)c(-c2nnn[n-]2)c1=O	ZINC001592545219	1167550093	/nfs/dbraw/zinc/55/00/93/1167550093.db2.gz	POYVSUTVXHKVNQ-UHFFFAOYSA-N	-1	0	324.304	0.476	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCC[C@H]2C=CCC2)c(=O)[n-]c1=O	ZINC001594215566	1167965012	/nfs/dbraw/zinc/96/50/12/1167965012.db2.gz	WYUQIEUKBUEEAO-NSHDSACASA-N	-1	0	302.334	0.683	20	30		DCEDRM
Cc1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc(C)c1C#N	ZINC001600084394	1168115344	/nfs/dbraw/zinc/11/53/44/1168115344.db2.gz	HGJIFRVGRQCOOP-ZDUSSCGKSA-N	-1	0	315.329	0.590	20	30		DCEDRM
Cc1cc(C=NNc2nc3c(cnn3C)c(=O)[nH]2)[nH]c1C(=O)[O-]	ZINC001600185062	1168132132	/nfs/dbraw/zinc/13/21/32/1168132132.db2.gz	FGRSAGNXWRJIIX-UHFFFAOYSA-N	-1	0	315.293	0.850	20	30		DCEDRM
Cc1cc(NC(=O)Cn2ccc(C(=O)[O-])n2)nn1CCC#N	ZINC001600257490	1168151856	/nfs/dbraw/zinc/15/18/56/1168151856.db2.gz	PQEWDGJWCQZCSC-UHFFFAOYSA-N	-1	0	302.294	0.639	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)Cn1cnc(C#N)cc1=O	ZINC001600357591	1168173915	/nfs/dbraw/zinc/17/39/15/1168173915.db2.gz	JEAFJXBHAJNEME-UHFFFAOYSA-N	-1	0	312.285	0.760	20	30		DCEDRM
Cc1cccn2c1ncc(C(=O)N(CC#N)CC(=O)[O-])c2=O	ZINC001600588468	1168203128	/nfs/dbraw/zinc/20/31/28/1168203128.db2.gz	IYHWJPRNIBGMPL-UHFFFAOYSA-N	-1	0	300.274	0.053	20	30		DCEDRM
Cc1csc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1C(=O)[O-]	ZINC001600661328	1168235093	/nfs/dbraw/zinc/23/50/93/1168235093.db2.gz	VWZBCDZVAZARAD-QMMMGPOBSA-N	-1	0	323.330	0.444	20	30		DCEDRM
Cc1ncc(NC(=O)N2CC[C@@](O)(CC#N)C2)cc1C(=O)[O-]	ZINC001600739076	1168269363	/nfs/dbraw/zinc/26/93/63/1168269363.db2.gz	HWZVYJQQYZQGIH-AWEZNQCLSA-N	-1	0	304.306	0.971	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC001600899849	1168499665	/nfs/dbraw/zinc/49/96/65/1168499665.db2.gz	UPBAHXBSZPPUCJ-ZYHUDNBSSA-N	-1	0	305.334	0.896	20	30		DCEDRM
Cn1c(C#N)ccc1-c1nnc(N2CC[C@](C)(C(=O)[O-])C2)n1C	ZINC001600898809	1168499912	/nfs/dbraw/zinc/49/99/12/1168499912.db2.gz	RNVBMSZUXRESJJ-HNNXBMFYSA-N	-1	0	314.349	0.993	20	30		DCEDRM
Cn1c(NCC2(C(=O)[O-])CCCCC2)c(C#N)c(=O)n(C)c1=O	ZINC001600921695	1168509057	/nfs/dbraw/zinc/50/90/57/1168509057.db2.gz	IFZKZRWUKXLCFG-UHFFFAOYSA-N	-1	0	320.349	0.403	20	30		DCEDRM
Cn1nc(NC(=O)N2CCN(CCC#N)CC2)cc1C(=O)[O-]	ZINC001601014362	1168563931	/nfs/dbraw/zinc/56/39/31/1168563931.db2.gz	VYWUZTSZNZGCCA-UHFFFAOYSA-N	-1	0	306.326	0.181	20	30		DCEDRM
Cn1ncc(C(=O)N(CC#N)CC(=O)[O-])c1Br	ZINC001601019693	1168567399	/nfs/dbraw/zinc/56/73/99/1168567399.db2.gz	NSCYWGMDVHHFRI-UHFFFAOYSA-N	-1	0	301.100	0.233	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCCC[C@@H]2CCOC2=O)CC1	ZINC001601051406	1168577681	/nfs/dbraw/zinc/57/76/81/1168577681.db2.gz	OFKKKXZKCRLWAD-LLVKDONJSA-N	-1	0	323.349	0.730	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCC2CC3(C2)OCCO3)CC1	ZINC001601051504	1168577793	/nfs/dbraw/zinc/57/77/93/1168577793.db2.gz	QIZTYMUCJDRQLX-UHFFFAOYSA-N	-1	0	323.349	0.539	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1	ZINC001601055708	1168578234	/nfs/dbraw/zinc/57/82/34/1168578234.db2.gz	XHVCJFWIOAVDEL-UHFFFAOYSA-N	-1	0	304.262	0.820	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(CC(=O)NCc2ccccn2)CC1	ZINC001601053516	1168578275	/nfs/dbraw/zinc/57/82/75/1168578275.db2.gz	YTEBADMVKXHRHL-UHFFFAOYSA-N	-1	0	302.334	0.388	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nn2)CCN1C1CC1	ZINC001601061448	1168579001	/nfs/dbraw/zinc/57/90/01/1168579001.db2.gz	ZURYQXNTKBZSRI-SNVBAGLBSA-N	-1	0	316.321	0.379	20	30		DCEDRM
N#CC1CCC(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001601058287	1168579352	/nfs/dbraw/zinc/57/93/52/1168579352.db2.gz	LCWUQEDDUMOIGA-HTAVTVPLSA-N	-1	0	307.350	0.366	20	30		DCEDRM
N#CCCc1ccc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])cc1	ZINC001601068852	1168580295	/nfs/dbraw/zinc/58/02/95/1168580295.db2.gz	UAPHVMWVDSSWNP-NSHDSACASA-N	-1	0	312.347	0.257	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)COC(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001601066927	1168580350	/nfs/dbraw/zinc/58/03/50/1168580350.db2.gz	NRHYNPWBTXDIDT-UHFFFAOYSA-N	-1	0	318.289	0.526	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)Cc1csc(-c2nc[nH]n2)n1	ZINC001601069161	1168580645	/nfs/dbraw/zinc/58/06/45/1168580645.db2.gz	AJTRXYFZWQQYLY-UHFFFAOYSA-N	-1	0	320.334	0.298	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1CC(c2ccccn2)=NO1	ZINC001601070234	1168581204	/nfs/dbraw/zinc/58/12/04/1168581204.db2.gz	LEGRDCRULQMQSP-LBPRGKRZSA-N	-1	0	302.290	0.401	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)C#Cc1ccc2c(c1)OCO2	ZINC001601072706	1168581634	/nfs/dbraw/zinc/58/16/34/1168581634.db2.gz	VHFDMSXFMGLWOC-UHFFFAOYSA-N	-1	0	300.270	0.594	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1	ZINC001601077786	1168582482	/nfs/dbraw/zinc/58/24/82/1168582482.db2.gz	MIOKWBCPKSBVIU-CYBMUJFWSA-N	-1	0	312.322	0.940	20	30		DCEDRM
N#CCc1ccc(OC[C@H](O)CN2CCOC[C@@H]2C(=O)[O-])cc1	ZINC001601077333	1168582324	/nfs/dbraw/zinc/58/23/24/1168582324.db2.gz	YCSZQPZUQUZAQT-UKRRQHHQSA-N	-1	0	320.345	0.278	20	30		DCEDRM
N#CCNCCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001601074491	1168582452	/nfs/dbraw/zinc/58/24/52/1168582452.db2.gz	AVARPNOBGGXCCJ-UONOGXRCSA-N	-1	0	301.346	0.849	20	30		DCEDRM
N#CCc1cccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1	ZINC001601077412	1168582506	/nfs/dbraw/zinc/58/25/06/1168582506.db2.gz	CSOPJXMNAYYESE-LBPRGKRZSA-N	-1	0	301.302	0.168	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c1	ZINC001601084569	1168583375	/nfs/dbraw/zinc/58/33/75/1168583375.db2.gz	XKHSJESYBSRLFD-JTQLQIEISA-N	-1	0	314.305	0.653	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)o1	ZINC001601092069	1168584021	/nfs/dbraw/zinc/58/40/21/1168584021.db2.gz	HSNHSRKKHNWNDD-QMMMGPOBSA-N	-1	0	301.262	0.528	20	30		DCEDRM
N#Cc1cc(N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)ncn1	ZINC001601090132	1168584081	/nfs/dbraw/zinc/58/40/81/1168584081.db2.gz	KYUBZWRIXWYCHH-HNNXBMFYSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])cn1	ZINC001601094001	1168584113	/nfs/dbraw/zinc/58/41/13/1168584113.db2.gz	LSPTXMIURGNWGH-NSHDSACASA-N	-1	0	305.290	0.289	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc1	ZINC001601094208	1168584176	/nfs/dbraw/zinc/58/41/76/1168584176.db2.gz	PLIWNPJWNSHWDS-ZDUSSCGKSA-N	-1	0	313.313	0.578	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC001601089999	1168584180	/nfs/dbraw/zinc/58/41/80/1168584180.db2.gz	CAWMGAJNMLHOIE-UWVGGRQHSA-N	-1	0	316.285	0.883	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])cc1	ZINC001601093350	1168584189	/nfs/dbraw/zinc/58/41/89/1168584189.db2.gz	LEHXRVDNSFCDEP-UHFFFAOYSA-N	-1	0	316.273	0.603	20	30		DCEDRM
N#Cc1csc(CNS(=O)(=O)C2(C(=O)[O-])CCC2)n1	ZINC001601132491	1168584873	/nfs/dbraw/zinc/58/48/73/1168584873.db2.gz	ZGZTUVWZNXZDJL-UHFFFAOYSA-N	-1	0	301.349	0.441	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2CCSC[C@H](C(=O)[O-])C2)nc1	ZINC001601101407	1168585058	/nfs/dbraw/zinc/58/50/58/1168585058.db2.gz	OUSQQRFMEJPLIJ-LLVKDONJSA-N	-1	0	320.374	0.912	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@@H](C(=O)[O-])c2cccnc2)nc1	ZINC001601108376	1168586420	/nfs/dbraw/zinc/58/64/20/1168586420.db2.gz	NAHIIUGLQAXBDA-CQSZACIVSA-N	-1	0	311.301	0.702	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NC[C@H](CC2CC2)C(=O)[O-])nc1	ZINC001601108120	1168586498	/nfs/dbraw/zinc/58/64/98/1168586498.db2.gz	BSFYMTJXSPHOHN-LBPRGKRZSA-N	-1	0	302.334	0.982	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCOC2)c(C(=O)[O-])c1	ZINC001601111532	1168586735	/nfs/dbraw/zinc/58/67/35/1168586735.db2.gz	IGUNQUJQHANFLH-SNVBAGLBSA-N	-1	0	310.331	0.571	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)[C@@H]2CCNC(=O)C2)C(=O)[O-])c1	ZINC001601119028	1168587319	/nfs/dbraw/zinc/58/73/19/1168587319.db2.gz	TUIIRHJPBVNWKE-YPMHNXCESA-N	-1	0	302.286	0.753	20	30		DCEDRM
N#Cc1cccc(-c2cc(C(=O)NC[C@H](O)C(=O)[O-])on2)c1	ZINC001601116146	1168587695	/nfs/dbraw/zinc/58/76/95/1168587695.db2.gz	MDXMDYBQOSYQIX-NSHDSACASA-N	-1	0	301.258	0.389	20	30		DCEDRM
N#Cc1cccc(CC(=O)OCCc2cn(CC(=O)[O-])nn2)c1	ZINC001601122128	1168588269	/nfs/dbraw/zinc/58/82/69/1168588269.db2.gz	DYTDPMWDBFAZCL-UHFFFAOYSA-N	-1	0	314.301	0.563	20	30		DCEDRM
N#Cc1cccc2c1CCN2S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001601123988	1168588472	/nfs/dbraw/zinc/58/84/72/1168588472.db2.gz	DTHCIMSGLQSQAY-UHFFFAOYSA-N	-1	0	319.298	0.996	20	30		DCEDRM
N#Cc1ccccc1CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001601126373	1168590250	/nfs/dbraw/zinc/59/02/50/1168590250.db2.gz	WCDKGJFPXCTACR-LSDHHAIUSA-N	-1	0	313.357	0.923	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCN(c2ncns2)CC1	ZINC001601133856	1168592346	/nfs/dbraw/zinc/59/23/46/1168592346.db2.gz	XDNUGFWLJUFANS-UHFFFAOYSA-N	-1	0	316.346	0.830	20	30		DCEDRM
N#Cc1cnccc1N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001601131663	1168593273	/nfs/dbraw/zinc/59/32/73/1168593273.db2.gz	KSSKVXVVDWBBOI-VXGBXAGGSA-N	-1	0	300.318	0.323	20	30		DCEDRM
O=C([O-])c1nccc(N[C@H]2CCCN(C(=O)C#CC3CC3)C2)n1	ZINC001602574752	1169123762	/nfs/dbraw/zinc/12/37/62/1169123762.db2.gz	LDVRUFWKTSMCRD-LBPRGKRZSA-N	-1	0	314.345	0.413	20	30		DCEDRM
O=C([O-])c1cnc(NCCNC(=O)C2N=CC=CC2=O)nc1	ZINC001602630931	1169135660	/nfs/dbraw/zinc/13/56/60/1169135660.db2.gz	DXSNTAHAFWXNRT-ZHACJKMWSA-N	-1	0	303.278	0.113	20	30		DCEDRM
C#C[C@@H](C)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC001602670389	1169156114	/nfs/dbraw/zinc/15/61/14/1169156114.db2.gz	UNPPFPRSVLHZNE-SKDRFNHKSA-N	-1	0	302.286	0.003	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC001602683250	1169158051	/nfs/dbraw/zinc/15/80/51/1169158051.db2.gz	MVMINWIXNWTMKJ-LRDDRELGSA-N	-1	0	324.377	0.244	20	30		DCEDRM
C#CC[C@H](NC(=O)CNC(=O)NCc1ccc(F)cc1)C(=O)[O-]	ZINC001602687371	1169158344	/nfs/dbraw/zinc/15/83/44/1169158344.db2.gz	MHFGQIONZHQUCI-LBPRGKRZSA-N	-1	0	321.308	0.218	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1nn(C)c(C)c1Br)C(=O)[O-]	ZINC001602694006	1169161892	/nfs/dbraw/zinc/16/18/92/1169161892.db2.gz	FHQDSFIPJCJQRC-SSDOTTSWSA-N	-1	0	314.139	0.697	20	30		DCEDRM
C#CC[C@H](NC(=O)c1nn(C)c(C)c1Br)C(=O)[O-]	ZINC001602694007	1169162877	/nfs/dbraw/zinc/16/28/77/1169162877.db2.gz	FHQDSFIPJCJQRC-ZETCQYMHSA-N	-1	0	314.139	0.697	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001602699350	1169164370	/nfs/dbraw/zinc/16/43/70/1169164370.db2.gz	BYSZREDKQNGVGZ-RWMBFGLXSA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC	ZINC001602708419	1169166532	/nfs/dbraw/zinc/16/65/32/1169166532.db2.gz	RCMGPPSFBXFZLD-UHFFFAOYSA-N	-1	0	301.295	0.834	20	30		DCEDRM
C#CCN1CCC(C(=O)O[C@H](C)C(=O)C(C)(C)C(=O)[O-])CC1	ZINC001602720768	1169169525	/nfs/dbraw/zinc/16/95/25/1169169525.db2.gz	GRVLYBCZAQNQLR-LLVKDONJSA-N	-1	0	309.362	0.943	20	30		DCEDRM
C#CCn1cc(CNC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)cn1	ZINC001602732959	1169174308	/nfs/dbraw/zinc/17/43/08/1169174308.db2.gz	LSOKWFRBTSDRAA-UHFFFAOYSA-N	-1	0	323.316	0.332	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C	ZINC001602727908	1169174464	/nfs/dbraw/zinc/17/44/64/1169174464.db2.gz	GTJPIMSFHMPDDZ-NSHDSACASA-N	-1	0	313.350	0.718	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001602734509	1169175795	/nfs/dbraw/zinc/17/57/95/1169175795.db2.gz	NXYVJQUYBSURNG-RYUDHWBXSA-N	-1	0	318.329	0.998	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])c1	ZINC001602742084	1169176434	/nfs/dbraw/zinc/17/64/34/1169176434.db2.gz	CVCGRPVNLXTTHN-CQSZACIVSA-N	-1	0	314.341	0.750	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC001602746618	1169177636	/nfs/dbraw/zinc/17/76/36/1169177636.db2.gz	DQVBNCQDCUKEAL-QWRGUYRKSA-N	-1	0	303.380	0.689	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1	ZINC001602744514	1169178141	/nfs/dbraw/zinc/17/81/41/1169178141.db2.gz	CCLYVEKHPBFFJN-NSHDSACASA-N	-1	0	322.365	0.666	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001602743934	1169178249	/nfs/dbraw/zinc/17/82/49/1169178249.db2.gz	ZNFDONMCRPJTIR-KBPBESRZSA-N	-1	0	315.325	0.543	20	30		DCEDRM
C=C(C)Cn1c([C@@H](C)CO)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001602766126	1169181685	/nfs/dbraw/zinc/18/16/85/1169181685.db2.gz	VRDVZNCPMXJIAC-HZMBPMFUSA-N	-1	0	312.345	0.953	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(C)c1ncc(C(=O)[O-])cn1	ZINC001602809451	1169186822	/nfs/dbraw/zinc/18/68/22/1169186822.db2.gz	GQMXVWCGXANKRR-BMIGLBTASA-N	-1	0	322.365	0.443	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)NCc1cc(C(=O)[O-])c(C)o1	ZINC001602815653	1169187123	/nfs/dbraw/zinc/18/71/23/1169187123.db2.gz	BXARPTLCBBDHQT-VIFPVBQESA-N	-1	0	310.306	0.220	20	30		DCEDRM
C=CCC1(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCC1	ZINC001602818313	1169187755	/nfs/dbraw/zinc/18/77/55/1169187755.db2.gz	LRWZCLNTQDXKKV-UHFFFAOYSA-N	-1	0	302.342	0.463	20	30		DCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)C1	ZINC001602855623	1169192579	/nfs/dbraw/zinc/19/25/79/1169192579.db2.gz	VUOBVXFNDMRVCR-NHYWBVRUSA-N	-1	0	310.350	0.113	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O)C(=O)[O-]	ZINC001602864215	1169196004	/nfs/dbraw/zinc/19/60/04/1169196004.db2.gz	ZAQCTUSXFGFDLU-USWWRNFRSA-N	-1	0	312.366	0.188	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1cnc(C(=O)OC)cn1)C(=O)[O-]	ZINC001602872771	1169196396	/nfs/dbraw/zinc/19/63/96/1169196396.db2.gz	NOTLXGHUDXNREA-SECBINFHSA-N	-1	0	307.306	0.803	20	30		DCEDRM
C=CCN(C(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)C(C)C	ZINC001602884671	1169197813	/nfs/dbraw/zinc/19/78/13/1169197813.db2.gz	NIIYBUFDHWFVIJ-HNNXBMFYSA-N	-1	0	323.349	0.241	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1=O	ZINC001602898821	1169202025	/nfs/dbraw/zinc/20/20/25/1169202025.db2.gz	ZZJAIUIUQWPGNO-YNEHKIRRSA-N	-1	0	324.377	0.502	20	30		DCEDRM
C=CCN1CC[C@H](OC(=O)CCCn2ccc(C(=O)[O-])n2)C1=O	ZINC001602901425	1169202114	/nfs/dbraw/zinc/20/21/14/1169202114.db2.gz	JVEJEMXCUHNDHW-LBPRGKRZSA-N	-1	0	321.333	0.692	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnc2cc(OC)ccn21)C(=O)[O-]	ZINC001602913055	1169203011	/nfs/dbraw/zinc/20/30/11/1169203011.db2.gz	HLNHTOJPWOZKPQ-NSHDSACASA-N	-1	0	319.317	0.729	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001602915228	1169204810	/nfs/dbraw/zinc/20/48/10/1169204810.db2.gz	HDZLDAGWAYPTMO-UHFFFAOYSA-N	-1	0	306.318	0.951	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N[C@H](Cn1cncn1)C(=O)[O-]	ZINC001602924830	1169208331	/nfs/dbraw/zinc/20/83/31/1169208331.db2.gz	HKYBNRMTWJZACX-SNVBAGLBSA-N	-1	0	317.305	0.121	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N[C@@H](Cn1cncn1)C(=O)[O-]	ZINC001602924829	1169208413	/nfs/dbraw/zinc/20/84/13/1169208413.db2.gz	HKYBNRMTWJZACX-JTQLQIEISA-N	-1	0	317.305	0.121	20	30		DCEDRM
C=CCn1c([C@H]2CCOC2)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001602932194	1169210502	/nfs/dbraw/zinc/21/05/02/1169210502.db2.gz	LWLDUOWQHVIRPM-IINYFYTJSA-N	-1	0	310.329	0.971	20	30		DCEDRM
C=CCn1c(C2CC(O)C2)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001602931800	1169210786	/nfs/dbraw/zinc/21/07/86/1169210786.db2.gz	BXKIXQYOENDOER-QKFMDRJYSA-N	-1	0	322.365	0.382	20	30		DCEDRM
C=CCn1c(-c2cc[nH]n2)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001602930460	1169210953	/nfs/dbraw/zinc/21/09/53/1169210953.db2.gz	UVNYXOVVVDEILT-KOLCDFICSA-N	-1	0	318.337	0.533	20	30		DCEDRM
C=CCn1cc(C(=O)N2CCCC[C@@]2(COC)C(=O)[O-])nn1	ZINC001602938102	1169212934	/nfs/dbraw/zinc/21/29/34/1169212934.db2.gz	SPHQQIWEQXWKEI-CQSZACIVSA-N	-1	0	308.338	0.560	20	30		DCEDRM
C=CCn1nnnc1N(C)Cc1ccc(OCC(=O)[O-])cc1	ZINC001602939854	1169214578	/nfs/dbraw/zinc/21/45/78/1169214578.db2.gz	FCEMCNFXPFEXKM-UHFFFAOYSA-N	-1	0	303.322	0.959	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001602939944	1169214920	/nfs/dbraw/zinc/21/49/20/1169214920.db2.gz	CDUZRQGBIMQOME-UTUOFQBUSA-N	-1	0	310.350	0.159	20	30		DCEDRM
C[C@H](C#N)C(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CCC1	ZINC001603130155	1169250671	/nfs/dbraw/zinc/25/06/71/1169250671.db2.gz	RXLJAMHYAPAYMP-SECBINFHSA-N	-1	0	303.322	0.785	20	30		DCEDRM
C[C@](C#N)(NC(=O)CN[C@@H](C(=O)[O-])c1cccc(O)c1)C1CC1	ZINC001603126727	1169250955	/nfs/dbraw/zinc/25/09/55/1169250955.db2.gz	RGHNKQNOYFSIRP-GDBMZVCRSA-N	-1	0	317.345	0.916	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC001603230752	1169276556	/nfs/dbraw/zinc/27/65/56/1169276556.db2.gz	YOUGBBQEPKYJKO-UHFFFAOYSA-N	-1	0	317.411	0.347	20	30		DCEDRM
CC(C)OC(=O)CSc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001603343645	1169295953	/nfs/dbraw/zinc/29/59/53/1169295953.db2.gz	RTLNRPKQEDWLIT-UHFFFAOYSA-N	-1	0	305.323	0.572	20	30		DCEDRM
C[C@@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)[C@H]1CCCO1	ZINC001603448872	1169306894	/nfs/dbraw/zinc/30/68/94/1169306894.db2.gz	KXIDDSUQQOFNPS-IONNQARKSA-N	-1	0	316.325	0.605	20	30		DCEDRM
CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])[C@@H](C#N)C1	ZINC001603418634	1169307062	/nfs/dbraw/zinc/30/70/62/1169307062.db2.gz	TYUVLXBOGXAEGU-GARJFASQSA-N	-1	0	323.349	0.679	20	30		DCEDRM
C[C@]1(CO)CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001603808899	1169400721	/nfs/dbraw/zinc/40/07/21/1169400721.db2.gz	YQQCTJQLIWSYTP-ZDUSSCGKSA-N	-1	0	300.326	0.127	20	30		DCEDRM
CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001603856383	1169414362	/nfs/dbraw/zinc/41/43/62/1169414362.db2.gz	GZUWBADXGGDBAB-IJLUTSLNSA-N	-1	0	319.365	0.851	20	30		DCEDRM
CC(C)N(CCC#N)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001603875857	1169418747	/nfs/dbraw/zinc/41/87/47/1169418747.db2.gz	OVXQACIYOHEAKB-UHFFFAOYSA-N	-1	0	306.322	0.812	20	30		DCEDRM
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1(CO)CC1	ZINC001604355791	1169567740	/nfs/dbraw/zinc/56/77/40/1169567740.db2.gz	QZWDVAMJMYGGMX-VIFPVBQESA-N	-1	0	324.358	0.696	20	30		DCEDRM
C[C@H](OC(=O)c1cnccc1C(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001604416715	1169588335	/nfs/dbraw/zinc/58/83/35/1169588335.db2.gz	CJFSIVLTVJHFOY-VIFPVBQESA-N	-1	0	317.301	0.888	20	30		DCEDRM
C[C@]1(CCC(=O)[O-])NC(=O)N(CN2CC[C@](C)(C#N)C2)C1=O	ZINC001604483741	1169600185	/nfs/dbraw/zinc/60/01/85/1169600185.db2.gz	WJRXRZAPDQLKEQ-ZIAGYGMSSA-N	-1	0	308.338	0.355	20	30		DCEDRM
CCn1nc(C)c(CN=Nc2oc(C)nc2-c2nnn[n-]2)n1	ZINC001604616747	1169632558	/nfs/dbraw/zinc/63/25/58/1169632558.db2.gz	JMAQWWNXQMJLRB-UHFFFAOYSA-N	-1	0	302.302	0.529	20	30		DCEDRM
C[C@H]1CC[C@H](C)N(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001604696700	1169658588	/nfs/dbraw/zinc/65/85/88/1169658588.db2.gz	CGLLUBDUYANJFB-RYUDHWBXSA-N	-1	0	321.377	0.850	20	30		DCEDRM
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1Nc1ncc(C(=O)[O-])cn1	ZINC001604766838	1169673776	/nfs/dbraw/zinc/67/37/76/1169673776.db2.gz	BTFMIEGSIHFIJA-ZWNOBZJWSA-N	-1	0	314.345	0.847	20	30		DCEDRM
C[C@@H]1CN(C(=O)CCc2ocnc2C(=O)[O-])C[C@@H](C)N1CC#N	ZINC001604768820	1169675322	/nfs/dbraw/zinc/67/53/22/1169675322.db2.gz	IMSQPTWEBWWMNY-GHMZBOCLSA-N	-1	0	320.349	0.750	20	30		DCEDRM
CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001605071672	1169809004	/nfs/dbraw/zinc/80/90/04/1169809004.db2.gz	ZGHHVNCTYVPXSE-AAEUAGOBSA-N	-1	0	315.329	0.891	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccncc1C(=O)[O-]	ZINC001605418363	1169915511	/nfs/dbraw/zinc/91/55/11/1169915511.db2.gz	YSNTXEQRLJIBBD-JTQLQIEISA-N	-1	0	319.317	0.945	20	30		DCEDRM
CCN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nccnc1C#N	ZINC001605445074	1169923358	/nfs/dbraw/zinc/92/33/58/1169923358.db2.gz	JCXKYGUZXWPOKK-GHMZBOCLSA-N	-1	0	317.349	0.402	20	30		DCEDRM
CCN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1nccnc1C#N	ZINC001605445077	1169923769	/nfs/dbraw/zinc/92/37/69/1169923769.db2.gz	JCXKYGUZXWPOKK-WDEREUQCSA-N	-1	0	317.349	0.402	20	30		DCEDRM
Cc1ccc(CCNc2cnc(-c3nn[nH]n3)c(C#N)n2)nc1	ZINC001605843648	1170009941	/nfs/dbraw/zinc/00/99/41/1170009941.db2.gz	ZXFSEDBLDMKEHZ-UHFFFAOYSA-N	-1	0	307.321	0.886	20	30		DCEDRM
CCn1c(CCCCC#N)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001605908304	1170025204	/nfs/dbraw/zinc/02/52/04/1170025204.db2.gz	TUMWLDGTYOEMOK-LLVKDONJSA-N	-1	0	307.354	0.824	20	30		DCEDRM
CN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1cccc(C#N)c1	ZINC001605960626	1170038147	/nfs/dbraw/zinc/03/81/47/1170038147.db2.gz	DHSFKNALWXZSRZ-ZDUSSCGKSA-N	-1	0	315.329	0.844	20	30		DCEDRM
Cc1nc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)sc1C	ZINC001606032529	1170061025	/nfs/dbraw/zinc/06/10/25/1170061025.db2.gz	SHBMJIYOBDYCQJ-UHFFFAOYSA-N	-1	0	315.322	0.787	20	30		DCEDRM
CN(C)c1ccnc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1	ZINC001606061814	1170066989	/nfs/dbraw/zinc/06/69/89/1170066989.db2.gz	ADGCAECKUZXIOU-UHFFFAOYSA-N	-1	0	302.334	0.978	20	30		DCEDRM
Cc1oc(C=O)cc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001606173638	1170102895	/nfs/dbraw/zinc/10/28/95/1170102895.db2.gz	ARGAKZMTMQGEBR-UHFFFAOYSA-N	-1	0	312.249	0.428	20	30		DCEDRM
Cn1c(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)nc2ccccc21	ZINC001606217266	1170119174	/nfs/dbraw/zinc/11/91/74/1170119174.db2.gz	FDGWQCDRJXIIIH-UHFFFAOYSA-N	-1	0	320.320	0.452	20	30		DCEDRM
CNc1ccc(C#N)cc1NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC001606308212	1170155575	/nfs/dbraw/zinc/15/55/75/1170155575.db2.gz	GQRSVAPHIFDZPM-UHFFFAOYSA-N	-1	0	300.278	0.528	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(C#N)c(Cl)c1	ZINC001606323033	1170158267	/nfs/dbraw/zinc/15/82/67/1170158267.db2.gz	FAOPEOQRFMQVRJ-SNVBAGLBSA-N	-1	0	310.693	0.958	20	30		DCEDRM
N#CC1(CNS(=O)(=O)Cc2csc(-c3nn[nH]n3)c2)CC1	ZINC001606343651	1170163313	/nfs/dbraw/zinc/16/33/13/1170163313.db2.gz	QKPGMTGFAWPSTD-UHFFFAOYSA-N	-1	0	324.391	0.651	20	30		DCEDRM
N#Cc1nc(NC(=O)CCOc2ccccc2)[n-]c1-c1nn[nH]n1	ZINC001606354955	1170168514	/nfs/dbraw/zinc/16/85/14/1170168514.db2.gz	YXRQDQIWZUXOMT-UHFFFAOYSA-N	-1	0	324.304	0.869	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cc(F)ccc2N)[n-]c1-c1nn[nH]n1	ZINC001606355544	1170169045	/nfs/dbraw/zinc/16/90/45/1170169045.db2.gz	GWZHDAJYAOTPKI-UHFFFAOYSA-N	-1	0	313.256	0.435	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2sccc2CC#N)C[C@H]1C(=O)[O-]	ZINC001606427637	1170197711	/nfs/dbraw/zinc/19/77/11/1170197711.db2.gz	YRHLSCRRNXQWNJ-NXEZZACHSA-N	-1	0	322.342	0.760	20	30		DCEDRM
COC(=O)CC[C@@H](NC(=O)c1ccc(C#N)c(OC)c1)C(=O)[O-]	ZINC001606459760	1170212700	/nfs/dbraw/zinc/21/27/00/1170212700.db2.gz	FGKFHFUILKIVPN-LLVKDONJSA-N	-1	0	320.301	0.703	20	30		DCEDRM
COC[C@H](C)NC(=S)NN=Cc1cccn1[C@H](C)C(=O)[O-]	ZINC001606798886	1170294135	/nfs/dbraw/zinc/29/41/35/1170294135.db2.gz	WMPPSSVJNQKNOX-VHSXEESVSA-N	-1	0	312.395	0.967	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001607064906	1170376942	/nfs/dbraw/zinc/37/69/42/1170376942.db2.gz	BQFQUYDETZGPEY-WDEREUQCSA-N	-1	0	304.302	0.474	20	30		DCEDRM
COc1cc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])ccc1C#N	ZINC001607075750	1170380634	/nfs/dbraw/zinc/38/06/34/1170380634.db2.gz	HIKKRIHGNHEGAY-NSHDSACASA-N	-1	0	320.301	0.513	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C[C@H]1CC(=O)[O-]	ZINC001607429240	1170450944	/nfs/dbraw/zinc/45/09/44/1170450944.db2.gz	YPVLKFOTYXLMSM-HFAKWTLXSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001607478368	1170463677	/nfs/dbraw/zinc/46/36/77/1170463677.db2.gz	JCFCONCVDNODIK-GWCFXTLKSA-N	-1	0	324.358	0.562	20	30		DCEDRM
Cc1c(C(=O)[O-])cc(CNS(=O)(=O)CC2(C#N)CC2)n1C	ZINC001607516959	1170471944	/nfs/dbraw/zinc/47/19/44/1170471944.db2.gz	KCDCFTQYOSVTAJ-UHFFFAOYSA-N	-1	0	311.363	0.755	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-]	ZINC001607724403	1170500087	/nfs/dbraw/zinc/50/00/87/1170500087.db2.gz	MJRLNNDCKPDHMD-NSHDSACASA-N	-1	0	312.347	0.369	20	30		DCEDRM
Cn1c2ccccc2n(CC(=O)N(CC#N)CCC(=O)[O-])c1=O	ZINC001608077973	1170566229	/nfs/dbraw/zinc/56/62/29/1170566229.db2.gz	QOFXLHIDCSUYSO-UHFFFAOYSA-N	-1	0	316.317	0.167	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)CCOC2CCOCC2)CC1	ZINC001608171691	1170607919	/nfs/dbraw/zinc/60/79/19/1170607919.db2.gz	QAMRGTQFVPQJEJ-UHFFFAOYSA-N	-1	0	310.350	0.789	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCC[C@@H]2CCO)CC1	ZINC001608171044	1170608467	/nfs/dbraw/zinc/60/84/67/1170608467.db2.gz	DVZPWQNNCMZNGN-NEPJUHHUSA-N	-1	0	309.366	0.937	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1	ZINC001608172324	1170609095	/nfs/dbraw/zinc/60/90/95/1170609095.db2.gz	XUOUHXBKUDOOHK-SNVBAGLBSA-N	-1	0	302.334	0.732	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001608180122	1170610581	/nfs/dbraw/zinc/61/05/81/1170610581.db2.gz	USRDHEBZONNBNJ-ZCFIWIBFSA-N	-1	0	320.710	0.544	20	30		DCEDRM
N#CC[C@@H](N1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O)C(F)(F)F	ZINC001608178987	1170611041	/nfs/dbraw/zinc/61/10/41/1170611041.db2.gz	UIHYDDHJRXUMFA-GBNDHIKLSA-N	-1	0	305.212	0.472	20	30		DCEDRM
N#CCCNC(=O)CN1C[C@H](C(=O)[O-])Oc2cc(F)ccc21	ZINC001608184156	1170611498	/nfs/dbraw/zinc/61/14/98/1170611498.db2.gz	LTEWIHVYXFBNIA-GFCCVEGCSA-N	-1	0	307.281	0.508	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCSc1ncnc2[nH]cnc21	ZINC001608184528	1170611716	/nfs/dbraw/zinc/61/17/16/1170611716.db2.gz	YPPYQZGQUONJBL-UHFFFAOYSA-N	-1	0	320.334	0.272	20	30		DCEDRM
N#Cc1c(CN2CCC[C@H](S(N)(=O)=O)C2)cccc1C(=O)[O-]	ZINC001608192175	1170614050	/nfs/dbraw/zinc/61/40/50/1170614050.db2.gz	WCZGOBMEAAKIIL-NSHDSACASA-N	-1	0	323.374	0.509	20	30		DCEDRM
N#Cc1ccc([C@H](N[C@@H](C[C@H]2CCCO2)C(=O)[O-])C(N)=O)cc1	ZINC001608201966	1170614883	/nfs/dbraw/zinc/61/48/83/1170614883.db2.gz	JZANZAJHAMLEEX-RDBSUJKOSA-N	-1	0	317.345	0.697	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@H](C(=O)[O-])c2cccnc2)cc1	ZINC001608201961	1170614935	/nfs/dbraw/zinc/61/49/35/1170614935.db2.gz	JUNUKSVLQSUOLM-UONOGXRCSA-N	-1	0	311.297	0.929	20	30		DCEDRM
N#Cc1ccc(N2CCN(Cc3oncc3C(=O)[O-])CC2)nc1	ZINC001608205601	1170615094	/nfs/dbraw/zinc/61/50/94/1170615094.db2.gz	IXKJXNTUVAVRPE-UHFFFAOYSA-N	-1	0	313.317	0.962	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCc2nc(C(=O)[O-])co2)nc1	ZINC001608212093	1170616023	/nfs/dbraw/zinc/61/60/23/1170616023.db2.gz	TVQUMOAPBPQSDT-UHFFFAOYSA-N	-1	0	308.275	0.118	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N[C@H](Cn2ccnc2)C(=O)[O-])c1	ZINC001608218790	1170617347	/nfs/dbraw/zinc/61/73/47/1170617347.db2.gz	YXYWFRRJVPFRRH-CYBMUJFWSA-N	-1	0	314.301	0.403	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)c1cc(C(=O)[O-])on1	ZINC001608221714	1170617983	/nfs/dbraw/zinc/61/79/83/1170617983.db2.gz	NZONHTGNHMTQEO-UHFFFAOYSA-N	-1	0	301.262	0.481	20	30		DCEDRM
O=C([O-])c1cnc(C(=O)NCc2ccc(C(=O)NO)cc2)cn1	ZINC001608484749	1170687563	/nfs/dbraw/zinc/68/75/63/1170687563.db2.gz	QERSXENLCHZPFF-UHFFFAOYSA-N	-1	0	316.273	0.224	20	30		DCEDRM
C#C[C@H](C)N(C)S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1	ZINC001609018750	1170785549	/nfs/dbraw/zinc/78/55/49/1170785549.db2.gz	FQIMZIXQVHAWHM-JTQLQIEISA-N	-1	0	305.363	0.650	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O)C(=O)[O-]	ZINC001609076782	1170800954	/nfs/dbraw/zinc/80/09/54/1170800954.db2.gz	XZAWZBHJDLYPSC-AGIUHOORSA-N	-1	0	301.298	0.884	20	30		DCEDRM
C#CC[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(=O)[O-]	ZINC001609078635	1170801814	/nfs/dbraw/zinc/80/18/14/1170801814.db2.gz	ARHZMRZFYLZMAG-NSHDSACASA-N	-1	0	316.273	0.537	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001609078667	1170802007	/nfs/dbraw/zinc/80/20/07/1170802007.db2.gz	BKBBHRBBPMJACY-SNVBAGLBSA-N	-1	0	306.274	0.739	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC001609152952	1170828883	/nfs/dbraw/zinc/82/88/83/1170828883.db2.gz	NEKRWLBGKWAPKS-UHFFFAOYSA-N	-1	0	320.251	0.697	20	30		DCEDRM
C#CCNC(=O)COc1ccc(Br)nc1C(=O)[O-]	ZINC001609158750	1170834507	/nfs/dbraw/zinc/83/45/07/1170834507.db2.gz	GROKGKQGYNOYMU-UHFFFAOYSA-N	-1	0	313.107	0.671	20	30		DCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001609287697	1170912406	/nfs/dbraw/zinc/91/24/06/1170912406.db2.gz	ZZILGUPVUFHPOJ-NWDGAFQWSA-N	-1	0	310.350	0.256	20	30		DCEDRM
Cc1ncc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)s1	ZINC001609455359	1170984437	/nfs/dbraw/zinc/98/44/37/1170984437.db2.gz	QDWURJDJYPVUMK-UHFFFAOYSA-N	-1	0	301.295	0.479	20	30		DCEDRM
Cc1ncccc1CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001609456932	1170986021	/nfs/dbraw/zinc/98/60/21/1170986021.db2.gz	OPBLNHPICAOSJA-UHFFFAOYSA-N	-1	0	309.293	0.346	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC1(C(=O)[O-])CCSCC1	ZINC001609630901	1171056413	/nfs/dbraw/zinc/05/64/13/1171056413.db2.gz	IUJMUVVPDUOPAF-VIFPVBQESA-N	-1	0	321.424	0.263	20	30		DCEDRM
C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1	ZINC001609734973	1171076163	/nfs/dbraw/zinc/07/61/63/1171076163.db2.gz	GVPUMNJKDRNSIF-NSHDSACASA-N	-1	0	317.345	0.885	20	30		DCEDRM
CCO[C@H]1C[C@@](NCC(=O)NC2(C#N)CCC2)(C(=O)[O-])C1(C)C	ZINC001610031922	1171143163	/nfs/dbraw/zinc/14/31/63/1171143163.db2.gz	MREYTXVNVBOYOE-MEDUHNTESA-N	-1	0	323.393	0.797	20	30		DCEDRM
CCO[C@@H]1C[C@@](NCC(=O)NC2(C#N)CCC2)(C(=O)[O-])C1(C)C	ZINC001610031905	1171143748	/nfs/dbraw/zinc/14/37/48/1171143748.db2.gz	MREYTXVNVBOYOE-BDJLRTHQSA-N	-1	0	323.393	0.797	20	30		DCEDRM
COC(=O)[C@@]1(NCc2cccc(C(=O)[O-])c2C#N)CCOC1	ZINC001610157089	1171182075	/nfs/dbraw/zinc/18/20/75/1171182075.db2.gz	SBQAKFMTWVMNTR-OAHLLOKOSA-N	-1	0	304.302	0.678	20	30		DCEDRM
COC(CN(CCC(=O)[O-])C(=O)c1cccc(C#N)n1)OC	ZINC001610224222	1171199834	/nfs/dbraw/zinc/19/98/34/1171199834.db2.gz	KJJIZUPXARDPDE-UHFFFAOYSA-N	-1	0	307.306	0.489	20	30		DCEDRM
CO[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C(=O)[O-])C1	ZINC001610237932	1171203970	/nfs/dbraw/zinc/20/39/70/1171203970.db2.gz	QRTFMOJJSHGMPW-TYNCELHUSA-N	-1	0	311.382	0.605	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)Nc1ccn(CCC#N)n1	ZINC001610241752	1171204487	/nfs/dbraw/zinc/20/44/87/1171204487.db2.gz	PURUBYRIANMRQW-ZDUSSCGKSA-N	-1	0	309.326	0.798	20	30		DCEDRM
COc1ccc(S(=O)(=O)N(C)CC#N)c(OC)c1C(=O)[O-]	ZINC001610346083	1171222725	/nfs/dbraw/zinc/22/27/25/1171222725.db2.gz	UBBZKMQWEBFTKG-UHFFFAOYSA-N	-1	0	314.319	0.546	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@@](O)(CC#N)C1	ZINC001610488294	1171243623	/nfs/dbraw/zinc/24/36/23/1171243623.db2.gz	CAVWZAKHGALXGZ-INIZCTEOSA-N	-1	0	317.345	0.982	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1C#N	ZINC001610525343	1171246428	/nfs/dbraw/zinc/24/64/28/1171246428.db2.gz	SWYXCEYJAWZSBJ-DGCLKSJQSA-N	-1	0	324.358	0.465	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CC[C@](O)(CC#N)C2)c1C(=O)[O-]	ZINC001610524765	1171247087	/nfs/dbraw/zinc/24/70/87/1171247087.db2.gz	MGJXFIOUGGECHR-CQSZACIVSA-N	-1	0	324.358	0.732	20	30		DCEDRM
Cc1oc(NC(=O)CN2C[C@H](C)O[C@H](C(=O)[O-])C2)c(C#N)c1C	ZINC001610586923	1171260328	/nfs/dbraw/zinc/26/03/28/1171260328.db2.gz	CQMCYKMUISCIHB-UFBFGSQYSA-N	-1	0	321.333	0.881	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1	ZINC001610619820	1171270357	/nfs/dbraw/zinc/27/03/57/1171270357.db2.gz	RWGLHKKMLGKJHU-AWEZNQCLSA-N	-1	0	305.265	0.787	20	30		DCEDRM
N#C[C@H]1COCCN1CN1Cc2ccc(C(=O)[O-])cc2C1=O	ZINC001610620565	1171270741	/nfs/dbraw/zinc/27/07/41/1171270741.db2.gz	IYWOXEMGIYLKNW-LBPRGKRZSA-N	-1	0	301.302	0.522	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001610621079	1171271112	/nfs/dbraw/zinc/27/11/12/1171271112.db2.gz	VGAYZLVRDKXVSJ-MXWKQRLJSA-N	-1	0	302.352	0.184	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001610620826	1171271225	/nfs/dbraw/zinc/27/12/25/1171271225.db2.gz	ONIZYLGYPGTXIF-VIFPVBQESA-N	-1	0	314.294	0.437	20	30		DCEDRM
N#CCCCCS(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC001610621485	1171271298	/nfs/dbraw/zinc/27/12/98/1171271298.db2.gz	KKVGIVFRPGWVOI-GFCCVEGCSA-N	-1	0	304.368	0.624	20	30		DCEDRM
N#Cc1cc2c(nc1N1C[C@H](O)C[C@H](C(=O)[O-])C1)CCOC2	ZINC001610626106	1171271509	/nfs/dbraw/zinc/27/15/09/1171271509.db2.gz	LDIOSTAFNLJCCB-CMPLNLGQSA-N	-1	0	303.318	0.298	20	30		DCEDRM
N#CCNC(=O)CNC(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC001610622806	1171271630	/nfs/dbraw/zinc/27/16/30/1171271630.db2.gz	IMKRIGBPNOOOSA-UHFFFAOYSA-N	-1	0	320.305	0.301	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)c2cccc(C(=O)[O-])n2)nc1	ZINC001610628690	1171272903	/nfs/dbraw/zinc/27/29/03/1171272903.db2.gz	CQWHNVSHPLALKU-UHFFFAOYSA-N	-1	0	311.301	0.888	20	30		DCEDRM
N#Cc1cccc(CC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1	ZINC001610631685	1171272958	/nfs/dbraw/zinc/27/29/58/1171272958.db2.gz	HYGIUUGGGIZEFF-ZDUSSCGKSA-N	-1	0	315.329	0.293	20	30		DCEDRM
C#C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccc(Cl)cc1F	ZINC001623825405	1171444536	/nfs/dbraw/zinc/44/45/36/1171444536.db2.gz	FLCYLZGRXFRNLR-SNVBAGLBSA-N	-1	0	324.699	0.973	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCc1c[nH][nH]c1=O	ZINC001634144191	1171662468	/nfs/dbraw/zinc/66/24/68/1171662468.db2.gz	ZXQFISQQORKIBQ-SECBINFHSA-N	-1	0	301.306	0.209	20	30		DCEDRM
CCOCCOC[C@H](O)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001635647460	1171710699	/nfs/dbraw/zinc/71/06/99/1171710699.db2.gz	JMQCDNDXMFFJRU-GFCCVEGCSA-N	-1	0	323.349	0.111	20	30		DCEDRM
C/C(=C/C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)C	ZINC001641034238	1171904644	/nfs/dbraw/zinc/90/46/44/1171904644.db2.gz	WGNOSUUKLFPLCF-YFHOEESVSA-N	-1	0	304.350	0.929	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2cccc(-n3ccnn3)c2)c(C#N)c1=O	ZINC001642427731	1171945397	/nfs/dbraw/zinc/94/53/97/1171945397.db2.gz	VQJRTWNNUYVQST-UHFFFAOYSA-N	-1	0	309.289	0.270	20	30		DCEDRM
Cc1cc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc(Cl)n1	ZINC001642844986	1171958636	/nfs/dbraw/zinc/95/86/36/1171958636.db2.gz	BTCKDBZJNCCSNF-UHFFFAOYSA-N	-1	0	305.725	0.914	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COCc2ccncc2)CCC1	ZINC001645776689	1172136579	/nfs/dbraw/zinc/13/65/79/1172136579.db2.gz	YKQDMRRWPZJRAE-UHFFFAOYSA-N	-1	0	323.374	0.738	20	30		DCEDRM
N#Cc1c(Cl)cccc1S(=O)(=O)NCc1nc(=O)o[n-]1	ZINC001645787902	1172140929	/nfs/dbraw/zinc/14/09/29/1172140929.db2.gz	KDPNAROMAIUCBX-UHFFFAOYSA-N	-1	0	314.710	0.366	20	30		DCEDRM
CCC1(CC)[C@H](OC)C[C@@H]1N(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001646634398	1172450279	/nfs/dbraw/zinc/45/02/79/1172450279.db2.gz	OUJZAJPCORRZSZ-NWDGAFQWSA-N	-1	0	320.393	0.975	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H]2CCOCC23CCCC3)c(C#N)c1=O	ZINC001646636976	1172450863	/nfs/dbraw/zinc/45/08/63/1172450863.db2.gz	FRSFZYSCLZKBRQ-NSHDSACASA-N	-1	0	304.350	0.706	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H]2CCCN2CC(F)F)c(C#N)c1=O	ZINC001646638302	1172451493	/nfs/dbraw/zinc/45/14/93/1172451493.db2.gz	DPYVFAVDXCPHFQ-MRVPVSSYSA-N	-1	0	313.308	0.087	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCc3ccc(F)c(F)c3C2)c(C#N)c1=O	ZINC001647632361	1173008548	/nfs/dbraw/zinc/00/85/48/1173008548.db2.gz	OTXWKKGQYHJKCI-UHFFFAOYSA-N	-1	0	318.283	0.786	20	30		DCEDRM
N#CCCN1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)CC1	ZINC001649949826	1173330131	/nfs/dbraw/zinc/33/01/31/1173330131.db2.gz	VAVVNVVJXDMVQR-UHFFFAOYSA-N	-1	0	308.382	0.871	20	30		DCEDRM
O=C(C=Cc1ccc(F)cc1)C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001650857689	1173734469	/nfs/dbraw/zinc/73/44/69/1173734469.db2.gz	GNZQXZKLKQBBDI-ZXCPCRMDSA-N	-1	0	315.308	0.937	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2cccc(-n3cncn3)c2)c(C#N)c1=O	ZINC001651557759	1173750514	/nfs/dbraw/zinc/75/05/14/1173750514.db2.gz	ZWWWXXDITLTPLN-UHFFFAOYSA-N	-1	0	310.273	0.318	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CCCN2C(=O)c3ccccc3C2=O)c1=O	ZINC001652053405	1173761348	/nfs/dbraw/zinc/76/13/48/1173761348.db2.gz	UOHSYRMGAXCHJX-UHFFFAOYSA-N	-1	0	324.296	0.095	20	30		DCEDRM
CC(C)N(CC#N)CCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001664543146	1174438739	/nfs/dbraw/zinc/43/87/39/1174438739.db2.gz	ARACCDUOXWERFE-UHFFFAOYSA-N	-1	0	316.365	0.376	20	30		DCEDRM
CO[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC001665891526	1174572459	/nfs/dbraw/zinc/57/24/59/1174572459.db2.gz	PRIGRVWESSEWDU-UHFFFAOYSA-N	-1	0	303.727	0.168	20	30		DCEDRM
C=CC(C)(C)C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CCCC1	ZINC001666777980	1174636147	/nfs/dbraw/zinc/63/61/47/1174636147.db2.gz	CTQVQXUDHNSJBV-UHFFFAOYSA-N	-1	0	321.425	0.839	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001675487490	1175362923	/nfs/dbraw/zinc/36/29/23/1175362923.db2.gz	ZASQQPJKVZKIIA-NSHDSACASA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1C[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001684215120	1175991914	/nfs/dbraw/zinc/99/19/14/1175991914.db2.gz	ATSMVBZTWROMMR-PHIMTYICSA-N	-1	0	322.365	0.251	20	30		DCEDRM
C#CCCCCC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001687997622	1175999933	/nfs/dbraw/zinc/99/99/33/1175999933.db2.gz	OSHJFWLBTFFCFN-LBPRGKRZSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C=CC(C)(C)C(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001686630311	1176177013	/nfs/dbraw/zinc/17/70/13/1176177013.db2.gz	MPXBDJALYRCAIB-UHFFFAOYSA-N	-1	0	317.349	0.081	20	30		DCEDRM
C#CCN(C(=O)c1n[nH]c(C)c1[O-])C1CCN(CCF)CC1	ZINC001699782065	1178286368	/nfs/dbraw/zinc/28/63/68/1178286368.db2.gz	XEZZIZRRRQLXFB-UHFFFAOYSA-N	-1	0	308.357	0.933	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNC(=O)C#CC(C)C)c1[O-]	ZINC001705015711	1180224568	/nfs/dbraw/zinc/22/45/68/1180224568.db2.gz	VBSQOIOFWSYIFV-SNAWJCMRSA-N	-1	0	304.350	0.485	20	30		DCEDRM
C=CCOCCN1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001713852380	1181116099	/nfs/dbraw/zinc/11/60/99/1181116099.db2.gz	UNKZLHHEGUHAPB-UHFFFAOYSA-N	-1	0	318.333	0.545	20	30		DCEDRM
N#CCN1CC[C@H](CCNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001714883460	1181585048	/nfs/dbraw/zinc/58/50/48/1181585048.db2.gz	NAEGOJUCPSJSHS-JTQLQIEISA-N	-1	0	315.333	0.894	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001717022983	1182630259	/nfs/dbraw/zinc/63/02/59/1182630259.db2.gz	JKFWIWGYYJADPU-HNNXBMFYSA-N	-1	0	323.397	0.310	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001717577473	1182906103	/nfs/dbraw/zinc/90/61/03/1182906103.db2.gz	GYMUUTDDFJMOAU-JTQLQIEISA-N	-1	0	309.370	0.040	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001724111920	1184378567	/nfs/dbraw/zinc/37/85/67/1184378567.db2.gz	QKPFRHPIBOQWNJ-OLZOCXBDSA-N	-1	0	317.393	0.879	20	30		DCEDRM
CCCC[C@H](CNCC#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001725235849	1184731235	/nfs/dbraw/zinc/73/12/35/1184731235.db2.gz	WLVFRCTYPNQMDR-LLVKDONJSA-N	-1	0	316.365	0.424	20	30		DCEDRM
COCC#CCN1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C	ZINC001725641255	1184925194	/nfs/dbraw/zinc/92/51/94/1184925194.db2.gz	ZTOPVGDXVNIPCL-CHWSQXEVSA-N	-1	0	320.393	0.656	20	30		DCEDRM
CC1(NC(=O)C#CC2CC2)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001733358407	1186239676	/nfs/dbraw/zinc/23/96/76/1186239676.db2.gz	JGFLAURSKPZPES-UHFFFAOYSA-N	-1	0	303.366	0.394	20	30		DCEDRM
CN(CC#N)CCCN(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001733780564	1186443834	/nfs/dbraw/zinc/44/38/34/1186443834.db2.gz	IWQRSVSRJGOZCQ-UHFFFAOYSA-N	-1	0	322.331	0.747	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001734774994	1186741008	/nfs/dbraw/zinc/74/10/08/1186741008.db2.gz	NELILOIRINKUPQ-SECBINFHSA-N	-1	0	323.353	0.216	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCCNC(=O)[C@H](C)C#N)c1[O-]	ZINC001735043686	1186787531	/nfs/dbraw/zinc/78/75/31/1186787531.db2.gz	RZGYWJOATBSRSJ-RKDXNWHRSA-N	-1	0	307.354	0.598	20	30		DCEDRM
C=CCOCC(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001735179129	1186816899	/nfs/dbraw/zinc/81/68/99/1186816899.db2.gz	FNXZCWLGPZXHFX-SECBINFHSA-N	-1	0	310.354	0.203	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001744444499	1188208533	/nfs/dbraw/zinc/20/85/33/1188208533.db2.gz	ZXVGVKBUGVEKQF-HFBDOXOYSA-N	-1	0	322.365	0.128	20	30		DCEDRM
N#CCNC[C@@H]1CCC[C@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001753897731	1188674880	/nfs/dbraw/zinc/67/48/80/1188674880.db2.gz	NOMVEPVINLPMSI-VHSXEESVSA-N	-1	0	315.333	0.940	20	30		DCEDRM
O=C(C#CC1CC1)NC1CC2(C1)CC(NC(=O)c1cn[nH]n1)C2	ZINC001757894510	1189577052	/nfs/dbraw/zinc/57/70/52/1189577052.db2.gz	MHSABIGAWOTIGG-UHFFFAOYSA-N	-1	0	313.361	0.375	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001758254637	1189799855	/nfs/dbraw/zinc/79/98/55/1189799855.db2.gz	YCVALHSYGVWCLV-LBPRGKRZSA-N	-1	0	318.377	0.900	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)C#CC(C)(C)C)c1[O-]	ZINC001759827105	1190309342	/nfs/dbraw/zinc/30/93/42/1190309342.db2.gz	KAFZGMCXMVPNIP-LLVKDONJSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001760013871	1190362527	/nfs/dbraw/zinc/36/25/27/1190362527.db2.gz	ADLSAOYCDLHORG-INIZCTEOSA-N	-1	0	318.377	0.948	20	30		DCEDRM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NC[C@@H](C)C#N	ZINC001771602619	1190447458	/nfs/dbraw/zinc/44/74/58/1190447458.db2.gz	DWVRWOBUXJGTKM-VIFPVBQESA-N	-1	0	312.333	0.766	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)CCn1ccnn1	ZINC001771691864	1190469493	/nfs/dbraw/zinc/46/94/93/1190469493.db2.gz	JBIDWOANIWSWLL-UHFFFAOYSA-N	-1	0	305.319	0.045	20	30		DCEDRM
COCCN(c1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H]1CC[C@H](C)C1	ZINC001772117587	1190611140	/nfs/dbraw/zinc/61/11/40/1190611140.db2.gz	PIKXNLFIKHUKFV-WDEREUQCSA-N	-1	0	306.366	0.587	20	30		DCEDRM
C=CCOCCCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001112755485	761892053	/nfs/dbraw/zinc/89/20/53/761892053.db2.gz	ICEPXZRPJHQKIF-UHFFFAOYSA-N	-1	0	309.370	0.137	20	30		DCEDRM
COCC(C)(C)CCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001141768902	749061485	/nfs/dbraw/zinc/06/14/85/749061485.db2.gz	KRTBZMMSXKBUPD-UHFFFAOYSA-N	-1	0	322.365	0.390	20	30		DCEDRM
N#CCc1cc(NC(=N)SCCS(=O)(=O)[O-])ccn1	ZINC001168092913	749395943	/nfs/dbraw/zinc/39/59/43/749395943.db2.gz	IMEJJOLKZRHEPX-UHFFFAOYSA-N	-1	0	300.365	0.537	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)Nc2ccnc(C#N)n2)c1[O-]	ZINC001112990493	762074086	/nfs/dbraw/zinc/07/40/86/762074086.db2.gz	GOQQCHUZMPNDPV-JGVFFNPUSA-N	-1	0	315.337	0.126	20	30		DCEDRM
C=C(C)CN1CC(N(C)C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001044016975	752519053	/nfs/dbraw/zinc/51/90/53/752519053.db2.gz	DIDCQYRMWPXPHO-UHFFFAOYSA-N	-1	0	301.350	0.355	20	30		DCEDRM
C=C(Cl)CN1CCOC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001050876238	758199821	/nfs/dbraw/zinc/19/98/21/758199821.db2.gz	LCSPJYHHQMLRSE-SNVBAGLBSA-N	-1	0	314.773	0.607	20	30		DCEDRM
Cc1ncc(CO)c(C(=O)N/C=C/C(=O)C(F)(F)F)c1[O-]	ZINC001147843951	767859585	/nfs/dbraw/zinc/85/95/85/767859585.db2.gz	JLYNFNSTAHJTBE-NSCUHMNNSA-N	-1	0	304.224	0.963	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CNc2cc(C)ncc2C#N)c1[O-]	ZINC001108313392	760375406	/nfs/dbraw/zinc/37/54/06/760375406.db2.gz	FOPWDCJFYLXABP-VIFPVBQESA-N	-1	0	314.349	0.651	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001070620457	761355727	/nfs/dbraw/zinc/35/57/27/761355727.db2.gz	MQXXDEJGSUJLJG-PSASIEDQSA-N	-1	0	305.338	0.304	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCNc2cc(C)ncc2C#N)c1[O-]	ZINC001101555267	764153799	/nfs/dbraw/zinc/15/37/99/764153799.db2.gz	LOMJJFZBLUQOEI-UHFFFAOYSA-N	-1	0	314.349	0.605	20	30		DCEDRM
C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)CN1Cc1n[nH]c(=O)[n-]1	ZINC001132045554	764221632	/nfs/dbraw/zinc/22/16/32/764221632.db2.gz	GRTFEKYWZXYMKB-ZYHUDNBSSA-N	-1	0	303.366	0.393	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	ZINC001119066342	766524187	/nfs/dbraw/zinc/52/41/87/766524187.db2.gz	WEFOAGXZENRBEZ-GFCCVEGCSA-N	-1	0	320.411	0.048	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccn1)C(=O)[O-]	ZINC001119645509	766759694	/nfs/dbraw/zinc/75/96/94/766759694.db2.gz	VKAHBNHZAJSTMA-KBPBESRZSA-N	-1	0	301.346	0.639	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C	ZINC001121561449	767592051	/nfs/dbraw/zinc/59/20/51/767592051.db2.gz	CSVAWKLNJIXHMB-AOOOYVTPSA-N	-1	0	300.366	0.780	20	30		DCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC001141380334	768578061	/nfs/dbraw/zinc/57/80/61/768578061.db2.gz	MKKJWOLMRAGYNT-SSDOTTSWSA-N	-1	0	315.669	0.674	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCNc2cc(C)ncc2C#N)c1[O-]	ZINC001093585197	768638323	/nfs/dbraw/zinc/63/83/23/768638323.db2.gz	GTBXICIVRZAFQK-UHFFFAOYSA-N	-1	0	300.322	0.263	20	30		DCEDRM
CCc1nc(C#N)cc(NCCNC(=O)c2[nH]nc(C)c2[O-])n1	ZINC001093585466	768639227	/nfs/dbraw/zinc/63/92/27/768639227.db2.gz	LPYAGXJHIDFGQO-UHFFFAOYSA-N	-1	0	315.337	0.490	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@]23CCC[C@H]2N(CC#N)CC3)c1[O-]	ZINC001094394635	769028874	/nfs/dbraw/zinc/02/88/74/769028874.db2.gz	OLWFKMLXRTYYLP-IAQYHMDHSA-N	-1	0	303.366	0.922	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)c2cnn(C[C@@H](O)CO)c2)c1	ZINC001152996430	769690828	/nfs/dbraw/zinc/69/08/28/769690828.db2.gz	ZRYNDWJBFDVEAJ-LLVKDONJSA-N	-1	0	302.290	0.066	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C(=O)OCC	ZINC001153516061	769839420	/nfs/dbraw/zinc/83/94/20/769839420.db2.gz	BEHNIPHOXQECAZ-MRVPVSSYSA-N	-1	0	314.367	0.617	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCC2CC=CC2)c(=O)[n-]c1=O	ZINC001154452664	770185107	/nfs/dbraw/zinc/18/51/07/770185107.db2.gz	IYUORKMVOFAPNN-UHFFFAOYSA-N	-1	0	302.334	0.683	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@H]1COC(C)(C)O1	ZINC001206380817	771006876	/nfs/dbraw/zinc/00/68/76/771006876.db2.gz	NYGUNIAFPBXXJU-WDEREUQCSA-N	-1	0	310.368	0.614	20	30		DCEDRM
C[C@@H](C#N)C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1	ZINC001179894177	771029314	/nfs/dbraw/zinc/02/93/14/771029314.db2.gz	IVQHNLDPOJFUFD-VIFPVBQESA-N	-1	0	309.347	0.403	20	30		DCEDRM
N#C[C@@H]1C[C@H](F)CN1C(=O)COc1ccc(OCC(=O)[O-])cc1	ZINC001183907898	771720501	/nfs/dbraw/zinc/72/05/01/771720501.db2.gz	ZUPSURNEGOIJON-QWRGUYRKSA-N	-1	0	322.292	0.991	20	30		DCEDRM
CCOC(=O)c1sc(S(=O)(=O)[N-]CCS)nc1C	ZINC001184976259	771848370	/nfs/dbraw/zinc/84/83/70/771848370.db2.gz	IJBIZDILHNGIOO-UHFFFAOYSA-N	-1	0	310.422	0.836	20	30		DCEDRM
CCOC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)C#N)nc1C	ZINC001184988387	771853767	/nfs/dbraw/zinc/85/37/67/771853767.db2.gz	DFOLGGIMOCPTRX-LURJTMIESA-N	-1	0	303.365	0.819	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2ccn(Cc3ccccn3)n2)c(C#N)c1=O	ZINC001185241340	771884658	/nfs/dbraw/zinc/88/46/58/771884658.db2.gz	IMCYCYDDQPIILU-UHFFFAOYSA-N	-1	0	323.316	0.329	20	30		DCEDRM
CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCNC[C@@H]1C#N	ZINC001187988787	772254704	/nfs/dbraw/zinc/25/47/04/772254704.db2.gz	NGXUTIUWOJAIDX-NSHDSACASA-N	-1	0	322.390	0.386	20	30		DCEDRM
CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCNC[C@H]1C#N	ZINC001187988786	772254942	/nfs/dbraw/zinc/25/49/42/772254942.db2.gz	NGXUTIUWOJAIDX-LLVKDONJSA-N	-1	0	322.390	0.386	20	30		DCEDRM
C=CCN1CC[C@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O	ZINC001190697978	772658772	/nfs/dbraw/zinc/65/87/72/772658772.db2.gz	CYOTWJCZSWFWQV-AWEZNQCLSA-N	-1	0	324.406	0.599	20	30		DCEDRM
N#CCS(=O)(=O)NC1([P@](=O)([O-])O)Cc2ccccc2C1	ZINC001192993885	772985741	/nfs/dbraw/zinc/98/57/41/772985741.db2.gz	LXVRBSFRHMIHOV-UHFFFAOYSA-N	-1	0	316.275	0.102	20	30		DCEDRM
CC(=O)N1CCN(c2ccccc2NS(=O)(=O)CC#N)CC1	ZINC001192972141	772989600	/nfs/dbraw/zinc/98/96/00/772989600.db2.gz	NKCUZOGWCUNACX-UHFFFAOYSA-N	-1	0	322.390	0.620	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccnc1N1CCN(C)CC1	ZINC001193105195	773006118	/nfs/dbraw/zinc/00/61/18/773006118.db2.gz	SBZXBEDKJBWRON-LLVKDONJSA-N	-1	0	309.395	0.487	20	30		DCEDRM
CCOc1cc([N-]S(=O)(=O)[C@H](C)C#N)cc(C(=O)OC)n1	ZINC001193113037	773007225	/nfs/dbraw/zinc/00/72/25/773007225.db2.gz	XYENCEDWFQKWNN-MRVPVSSYSA-N	-1	0	313.335	0.343	20	30		DCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1nc(C#N)c(C#N)nc1Cl	ZINC001193561102	773084950	/nfs/dbraw/zinc/08/49/50/773084950.db2.gz	DHUDLBIQMJADMK-UHFFFAOYSA-N	-1	0	323.725	0.408	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2cccc(C#N)c2[O-])CCN1C	ZINC001193647299	773097428	/nfs/dbraw/zinc/09/74/28/773097428.db2.gz	ZBCJNUWXNHYAEX-GFCCVEGCSA-N	-1	0	303.318	0.193	20	30		DCEDRM
N#Cc1ccc(C(=O)N=C(N)c2ccc(C(N)=O)cc2)c([O-])c1	ZINC001195763762	773470421	/nfs/dbraw/zinc/47/04/21/773470421.db2.gz	BYICWBSJSGAIBX-UHFFFAOYSA-N	-1	0	308.297	0.908	20	30		DCEDRM
COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1[O-])C2	ZINC001195740722	773474402	/nfs/dbraw/zinc/47/44/02/773474402.db2.gz	JWWFOIVURFZUBG-ZBEGNZNMSA-N	-1	0	316.313	0.525	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)cc2[O-])CCN1C	ZINC001195751854	773477238	/nfs/dbraw/zinc/47/72/38/773477238.db2.gz	YKGGPRVVCOWVJB-GFCCVEGCSA-N	-1	0	303.318	0.193	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1cc(Cl)cnc1C#N	ZINC001195941106	773499400	/nfs/dbraw/zinc/49/94/00/773499400.db2.gz	DCMASOHSTZCYNI-UHFFFAOYSA-N	-1	0	303.727	0.911	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2oncc2C#N)ccc1O	ZINC001197207869	773715573	/nfs/dbraw/zinc/71/55/73/773715573.db2.gz	WZTAEGNYGVPDAV-UHFFFAOYSA-N	-1	0	323.286	0.839	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)c1cc(C)ccn1	ZINC001198026826	773845386	/nfs/dbraw/zinc/84/53/86/773845386.db2.gz	CHELJINWFACULO-UHFFFAOYSA-N	-1	0	321.318	0.874	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2cncc(C#N)n2)c1	ZINC001201842602	774564800	/nfs/dbraw/zinc/56/48/00/774564800.db2.gz	XVUVYOWSPLXBHC-UHFFFAOYSA-N	-1	0	319.302	0.331	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2ncn(C)c2C#N)c1	ZINC001201843252	774564875	/nfs/dbraw/zinc/56/48/75/774564875.db2.gz	JLUCTIGIFZRGAZ-UHFFFAOYSA-N	-1	0	321.318	0.274	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1	ZINC001222617776	775398167	/nfs/dbraw/zinc/39/81/67/775398167.db2.gz	MREVSIFPMVSPKI-OLZOCXBDSA-N	-1	0	317.393	0.737	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@H]1CCN(C(C)=O)C1	ZINC001225016329	775631387	/nfs/dbraw/zinc/63/13/87/775631387.db2.gz	YBIZDTVUDWXMFS-QWHCGFSZSA-N	-1	0	321.395	0.330	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(=O)[nH]c(=S)[nH]1	ZINC001225763645	775715627	/nfs/dbraw/zinc/71/56/27/775715627.db2.gz	BKIYFYHVPONKQJ-ZETCQYMHSA-N	-1	0	322.364	0.309	20	30		DCEDRM
Cc1cc(=O)[n-]c(O[C@H]2CO[C@@H]3[C@H](O[N+](=O)[O-])CO[C@H]23)c1C#N	ZINC001226221003	775784401	/nfs/dbraw/zinc/78/44/01/775784401.db2.gz	FIVJDKPZSCCICE-LUTQBAROSA-N	-1	0	323.261	0.089	20	30		DCEDRM
C=C[C@@H]1O[C@@H](Oc2[n-]c(=O)nc3nc[nH]c32)[C@H]2OC(C)(C)O[C@@H]12	ZINC001227074352	775922836	/nfs/dbraw/zinc/92/28/36/775922836.db2.gz	XEKJFBHDUKEMRT-GTBBIVDNSA-N	-1	0	320.305	0.868	20	30		DCEDRM
O=C([O-])C[C@@H](O)C(=O)Oc1ccc(Cl)cc1C(=O)NO	ZINC001227175307	775940967	/nfs/dbraw/zinc/94/09/67/775940967.db2.gz	QROCKZISSGOSFC-SSDOTTSWSA-N	-1	0	303.654	0.200	20	30		DCEDRM
C#C[C@H](Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-])C(=O)OCC	ZINC001227627201	775991560	/nfs/dbraw/zinc/99/15/60/775991560.db2.gz	DJLIIBWUJOAGDL-LURJTMIESA-N	-1	0	313.291	0.756	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(N(C)C)cnn1	ZINC001229222156	776170661	/nfs/dbraw/zinc/17/06/61/776170661.db2.gz	DVMPVWYLQWNDJS-LLVKDONJSA-N	-1	0	317.367	0.380	20	30		DCEDRM
N#Cc1ccc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])s1	ZINC001601100258	1168585580	/nfs/dbraw/zinc/58/55/80/1168585580.db2.gz	KZGPSVXIKZPMTI-VIFPVBQESA-N	-1	0	314.388	0.693	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CCC[C@]1(C)NC(=O)NC1=O)C(=O)[O-]	ZINC001602749203	1169178331	/nfs/dbraw/zinc/17/83/31/1169178331.db2.gz	DAQGPSOCMZAFIB-XPTSAGLGSA-N	-1	0	311.338	0.290	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001603576014	1169329663	/nfs/dbraw/zinc/32/96/63/1169329663.db2.gz	VGHPXLABANOJCW-NXEZZACHSA-N	-1	0	304.368	0.335	20	30		DCEDRM
N#CCNC[C@@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001267061547	939328282	/nfs/dbraw/zinc/32/82/82/939328282.db2.gz	MFZOWJXNBPLZNG-NSHDSACASA-N	-1	0	311.345	0.911	20	30		DCEDRM
C#CCCCCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001270638860	940951706	/nfs/dbraw/zinc/95/17/06/940951706.db2.gz	SFDQGXPXGKNKHC-GFCCVEGCSA-N	-1	0	321.381	0.021	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001272131569	941746213	/nfs/dbraw/zinc/74/62/13/941746213.db2.gz	HSMMQNLMZXBMNM-AAEUAGOBSA-N	-1	0	323.397	0.382	20	30		DCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H](O)Cc1ccccc1	ZINC001412880640	942121094	/nfs/dbraw/zinc/12/10/94/942121094.db2.gz	NWROIOZILQZQSS-MFKMUULPSA-N	-1	0	314.345	0.349	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H]2C[C@@H]2c2ccccc2)c(=O)[n-]c1=O	ZINC001412902232	942131112	/nfs/dbraw/zinc/13/11/12/942131112.db2.gz	WVTZNPFBHCZRPP-OLZOCXBDSA-N	-1	0	310.313	0.493	20	30		DCEDRM
N#Cc1cccc(CC(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1	ZINC001412901911	942131322	/nfs/dbraw/zinc/13/13/22/942131322.db2.gz	PVXKZQNUFHQTPQ-UHFFFAOYSA-N	-1	0	312.333	0.124	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1	ZINC001601094127	970931297	/nfs/dbraw/zinc/93/12/97/970931297.db2.gz	NRSHXNVGXOECFA-TXEJJXNPSA-N	-1	0	301.302	0.267	20	30		DCEDRM
CC(C)(C)C#CC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1	ZINC001484407154	943352431	/nfs/dbraw/zinc/35/24/31/943352431.db2.gz	QCAFYNBFFBCZRD-TXEJJXNPSA-N	-1	0	317.393	0.450	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H](C)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001491288209	943897364	/nfs/dbraw/zinc/89/73/64/943897364.db2.gz	RZKLLOOIUNPRAG-OLZOCXBDSA-N	-1	0	319.409	0.886	20	30		DCEDRM
C=CC[C@@H](NC(=O)CN1C(=O)COc2ccccc21)C(=O)[O-]	ZINC001321166388	946196331	/nfs/dbraw/zinc/19/63/31/946196331.db2.gz	DDYUWCVATKTYNR-SNVBAGLBSA-N	-1	0	304.302	0.558	20	30		DCEDRM
C=CC[C@@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC001321167196	946196921	/nfs/dbraw/zinc/19/69/21/946196921.db2.gz	RRUHMPXJEKNZTN-SNVBAGLBSA-N	-1	0	320.301	0.291	20	30		DCEDRM
O=C([O-])CCn1cc(COS(=O)(=O)c2ccccc2)nn1	ZINC001254094462	946314004	/nfs/dbraw/zinc/31/40/04/946314004.db2.gz	VCCNZTABGLRZSS-UHFFFAOYSA-N	-1	0	311.319	0.658	20	30		DCEDRM
C=CC[C@H](NC(=O)c1csc(S(C)(=O)=O)c1)C(=O)[O-]	ZINC001321657071	946417852	/nfs/dbraw/zinc/41/78/52/946417852.db2.gz	BMVSDTDPGRFGCC-QMMMGPOBSA-N	-1	0	303.361	0.911	20	30		DCEDRM
C=C[C@@H]1C[C@]1([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001254645618	946418578	/nfs/dbraw/zinc/41/85/78/946418578.db2.gz	FDRAIDIBOIHTTJ-RTWAVKEYSA-N	-1	0	323.418	0.821	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1)C(C)(C)C	ZINC001602671719	971235351	/nfs/dbraw/zinc/23/53/51/971235351.db2.gz	FLORIEKPKQOFQO-LLVKDONJSA-N	-1	0	303.318	0.882	20	30		DCEDRM
C#CC1(F)CN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)C1	ZINC001602673666	971241423	/nfs/dbraw/zinc/24/14/23/971241423.db2.gz	ZWDNWWQBEBJQSJ-ZDUSSCGKSA-N	-1	0	315.304	0.890	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CN(C(=O)OC(C)(C)C)C1CC1	ZINC001602682266	971266925	/nfs/dbraw/zinc/26/69/25/971266925.db2.gz	KTZSBDXLXPQFJI-UHFFFAOYSA-N	-1	0	310.350	0.932	20	30		DCEDRM
C=CC[C@@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)[O-]	ZINC001322603064	946742752	/nfs/dbraw/zinc/74/27/52/946742752.db2.gz	VUGXAHGYMKGLSU-GFCCVEGCSA-N	-1	0	308.309	0.630	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1	ZINC001602684051	971277777	/nfs/dbraw/zinc/27/77/77/971277777.db2.gz	OWQSWOYCTUSPOR-QWRGUYRKSA-N	-1	0	316.379	0.072	20	30		DCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccccc2C#N)c1C(N)=O	ZINC001258196527	946809072	/nfs/dbraw/zinc/80/90/72/946809072.db2.gz	SILZCTKSNLZUIP-UHFFFAOYSA-N	-1	0	305.319	0.191	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C)c(-n2cnnn2)c1	ZINC001602688065	971288549	/nfs/dbraw/zinc/28/85/49/971288549.db2.gz	BAJLUDBBZWJAJG-UHFFFAOYSA-N	-1	0	314.305	0.522	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1c(C#N)cnn1C(C)(C)C	ZINC001259018157	946891643	/nfs/dbraw/zinc/89/16/43/946891643.db2.gz	WPMIDUDNQXLRLO-UHFFFAOYSA-N	-1	0	300.340	0.424	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1cnc(C#N)c(C(F)(F)F)c1	ZINC001259018543	946893284	/nfs/dbraw/zinc/89/32/84/946893284.db2.gz	ALYJPZRQLXSLBU-UHFFFAOYSA-N	-1	0	323.252	0.887	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccn(Cc2ccncc2)n1	ZINC001602688907	971293643	/nfs/dbraw/zinc/29/36/43/971293643.db2.gz	YZHHNWYKTJPCIK-UHFFFAOYSA-N	-1	0	313.317	0.878	20	30		DCEDRM
C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)CC(=O)OC	ZINC001259026149	946900232	/nfs/dbraw/zinc/90/02/32/946900232.db2.gz	JZNXUJCRBQPFBA-UHFFFAOYSA-N	-1	0	313.331	0.944	20	30		DCEDRM
N#C[C@H](NS(=O)(=O)c1ccc(Br)s1)C(N)=O	ZINC001259060604	946908475	/nfs/dbraw/zinc/90/84/75/946908475.db2.gz	YPICMKJNXNYNQX-BYPYZUCNSA-N	-1	0	324.181	0.166	20	30		DCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)c1ccccn1	ZINC001259282366	946936818	/nfs/dbraw/zinc/93/68/18/946936818.db2.gz	XTIFUYMSDXBZKP-UHFFFAOYSA-N	-1	0	300.303	0.797	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)CCc1ccc(F)cc1	ZINC001259764402	946981669	/nfs/dbraw/zinc/98/16/69/946981669.db2.gz	VRZILKFXVMPWDP-GFCCVEGCSA-N	-1	0	314.338	0.743	20	30		DCEDRM
COCCS(=O)(=O)[N-]c1cc(OC)c(OC)cc1C#N	ZINC001259971299	947045305	/nfs/dbraw/zinc/04/53/05/947045305.db2.gz	KGKXFIWYPKBNKG-UHFFFAOYSA-N	-1	0	300.336	0.964	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1csc(-c2nc[nH]n2)n1	ZINC001323392305	947062597	/nfs/dbraw/zinc/06/25/97/947062597.db2.gz	LGSRCYOYGHOPKD-UHFFFAOYSA-N	-1	0	313.364	0.103	20	30		DCEDRM
N#Cc1cnn(C2CCOCC2)c1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260954449	947156004	/nfs/dbraw/zinc/15/60/04/947156004.db2.gz	MYIHTPQHIURKOW-UHFFFAOYSA-N	-1	0	322.350	0.630	20	30		DCEDRM
COc1ncnc([N-]S(=O)(=O)c2c(C)n[nH]c2C)c1C#N	ZINC001261024593	947167986	/nfs/dbraw/zinc/16/79/86/947167986.db2.gz	FBYVDBCKNUVZEK-UHFFFAOYSA-N	-1	0	308.323	0.498	20	30		DCEDRM
C=C(C)CN(CC)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001602709659	971346839	/nfs/dbraw/zinc/34/68/39/971346839.db2.gz	HEZOCNZIYVZGGT-UHFFFAOYSA-N	-1	0	303.380	0.691	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)OC	ZINC001602718964	971379642	/nfs/dbraw/zinc/37/96/42/971379642.db2.gz	HFQBRDPDCXLUIJ-SECBINFHSA-N	-1	0	307.306	0.803	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC001602722962	971391367	/nfs/dbraw/zinc/39/13/67/971391367.db2.gz	CSHDIGQFLIRKLB-LPEHRKFASA-N	-1	0	312.322	0.431	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H](C)O[C@H](CC)C1	ZINC001262969995	947792818	/nfs/dbraw/zinc/79/28/18/947792818.db2.gz	XABKIBSUQXORLO-GHMZBOCLSA-N	-1	0	318.381	0.692	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)CCc1c(C)nn(CCC#N)c1C	ZINC001179623396	947883451	/nfs/dbraw/zinc/88/34/51/947883451.db2.gz	LOPIKEKMXDBOLJ-UHFFFAOYSA-N	-1	0	307.354	0.140	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](CS(C)(=O)=O)C1	ZINC001602778430	971511363	/nfs/dbraw/zinc/51/13/63/971511363.db2.gz	IOEPLZDEJKSYCO-GWCFXTLKSA-N	-1	0	316.379	0.274	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CC2(CO1)CCOCC2	ZINC001602780469	971518837	/nfs/dbraw/zinc/51/88/37/971518837.db2.gz	HGLLRHLWBORNTC-FZMZJTMJSA-N	-1	0	310.350	0.693	20	30		DCEDRM
CC[C@]1(C(=O)[O-])CCCN(C(=O)NCCn2cnc(C#N)n2)C1	ZINC001589594599	949126697	/nfs/dbraw/zinc/12/66/97/949126697.db2.gz	PXBQOOAJPBKJID-AWEZNQCLSA-N	-1	0	320.353	0.436	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000092130980	949141389	/nfs/dbraw/zinc/14/13/89/949141389.db2.gz	ZAKXKJFYMYLOPY-LBPRGKRZSA-N	-1	0	310.331	0.227	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2	ZINC001602796004	971559176	/nfs/dbraw/zinc/55/91/76/971559176.db2.gz	SACFONBZCLRIIK-SCZZXKLOSA-N	-1	0	318.285	0.826	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)c2c[n-]n3c2nccc3=O)n1	ZINC001328991869	949268642	/nfs/dbraw/zinc/26/86/42/949268642.db2.gz	YHQHCRQIWQCCGW-UHFFFAOYSA-N	-1	0	324.344	0.515	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)CCCc1nnn[n-]1)C(=O)OCC	ZINC001364478333	949389694	/nfs/dbraw/zinc/38/96/94/949389694.db2.gz	RFTGRVZQRDYAOS-SECBINFHSA-N	-1	0	315.761	0.713	20	30		DCEDRM
CN(C(=O)CSCC#N)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001265188261	949425468	/nfs/dbraw/zinc/42/54/68/949425468.db2.gz	QOYRSOHKACNVBB-UHFFFAOYSA-N	-1	0	324.410	0.190	20	30		DCEDRM
CCC[C@@H](C#N)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001589630952	949538342	/nfs/dbraw/zinc/53/83/42/949538342.db2.gz	SYWLWUFONOJVDY-VIFPVBQESA-N	-1	0	302.352	0.074	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001589720149	950412839	/nfs/dbraw/zinc/41/28/39/950412839.db2.gz	OBBSIZCYKHBQQR-JTQLQIEISA-N	-1	0	316.379	0.274	20	30		DCEDRM
CCOC(=O)c1n[nH]c(CNC(=O)c2cccc(CC#N)c2)n1	ZINC001365192782	950706682	/nfs/dbraw/zinc/70/66/82/950706682.db2.gz	FTKNFEUXLSFMNO-UHFFFAOYSA-N	-1	0	313.317	0.977	20	30		DCEDRM
COC(=O)Nc1ccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001365216734	950755208	/nfs/dbraw/zinc/75/52/08/950755208.db2.gz	SXJFFLQUPQRUNY-UHFFFAOYSA-N	-1	0	315.289	0.867	20	30		DCEDRM
Cc1ccc(CN(CCO)c2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001365222446	950763051	/nfs/dbraw/zinc/76/30/51/950763051.db2.gz	BQCGSLKUBXUGLU-UHFFFAOYSA-N	-1	0	314.345	0.253	20	30		DCEDRM
CN(CC1(O)CCCCCC1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365222987	950768072	/nfs/dbraw/zinc/76/80/72/950768072.db2.gz	NAWPJOBYHNRBMX-UHFFFAOYSA-N	-1	0	306.366	0.467	20	30		DCEDRM
CC(C)[C@@H]1C(=O)NCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001365270066	950856751	/nfs/dbraw/zinc/85/67/51/950856751.db2.gz	IKBYXWVWFXPCMN-CYBMUJFWSA-N	-1	0	314.349	0.263	20	30		DCEDRM
C[C@@H]1CCCCN1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365446622	951137732	/nfs/dbraw/zinc/13/77/32/951137732.db2.gz	SLTZWPGZRNRYNH-SNVBAGLBSA-N	-1	0	305.338	0.405	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)N(C)CCO2	ZINC001331482431	951139753	/nfs/dbraw/zinc/13/97/53/951139753.db2.gz	SVUSGKSQTOCTAD-UHFFFAOYSA-N	-1	0	308.359	0.598	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC001331509762	951149088	/nfs/dbraw/zinc/14/90/88/951149088.db2.gz	XTQCZUFEPUPOMH-RWMBFGLXSA-N	-1	0	324.377	0.407	20	30		DCEDRM
CCn1[n-]nnc1=NC(=O)NCc1cc(F)c(C#N)c(F)c1	ZINC001365500319	951193488	/nfs/dbraw/zinc/19/34/88/951193488.db2.gz	JSADCOXBZIVBIZ-UHFFFAOYSA-N	-1	0	307.264	0.586	20	30		DCEDRM
CCO[C@@H]1C[C@](O)(CNC(=O)[C@](C)(C#N)CC(=O)[O-])C1(C)C	ZINC001591761415	951202578	/nfs/dbraw/zinc/20/25/78/951202578.db2.gz	FLFCRARURYTOLE-ONERCXAPSA-N	-1	0	312.366	0.673	20	30		DCEDRM
C=C(C)CN1CC[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O	ZINC001275465548	952167097	/nfs/dbraw/zinc/16/70/97/952167097.db2.gz	SASHVMCLRWMQTB-AWEZNQCLSA-N	-1	0	324.406	0.599	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1	ZINC001334260830	952274079	/nfs/dbraw/zinc/27/40/79/952274079.db2.gz	GHWXYBMWNUIAFH-UHFFFAOYSA-N	-1	0	324.387	0.140	20	30		DCEDRM
C#CCCCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001335756696	952595051	/nfs/dbraw/zinc/59/50/51/952595051.db2.gz	ATTZAKLDACJJAF-QWHCGFSZSA-N	-1	0	306.362	0.475	20	30		DCEDRM
Cc1ccc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)nc1	ZINC001412276093	952728821	/nfs/dbraw/zinc/72/88/21/952728821.db2.gz	OPXKYWRHIABBQB-UHFFFAOYSA-N	-1	0	313.317	0.231	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H](CNC(=O)[C@H](C)C#N)C2CC2)c1[O-]	ZINC001412357768	952760997	/nfs/dbraw/zinc/76/09/97/952760997.db2.gz	BXRCJHBGVWEFPS-LDYMZIIASA-N	-1	0	319.365	0.550	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCc3onc(C(N)=O)c3C2)ccc1[O-]	ZINC001276155777	952952216	/nfs/dbraw/zinc/95/22/16/952952216.db2.gz	JSSBWFSFGOFMDA-UHFFFAOYSA-N	-1	0	312.285	0.549	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@](F)(C#N)C1	ZINC001338946604	953064652	/nfs/dbraw/zinc/06/46/52/953064652.db2.gz	SQDZLGKTSWQUSF-ZDUSSCGKSA-N	-1	0	303.301	0.130	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CCS[C@@H](C)[C@@H]1C	ZINC001339210409	953080893	/nfs/dbraw/zinc/08/08/93/953080893.db2.gz	IJFDQZNBVIZMDW-IUCAKERBSA-N	-1	0	306.399	0.974	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001602928930	971896425	/nfs/dbraw/zinc/89/64/25/971896425.db2.gz	NIQFSNNBGCYLBF-UHFFFAOYSA-N	-1	0	316.379	0.322	20	30		DCEDRM
C#Cc1cccc(CNC(=O)NCCOCCOCC(=O)[O-])c1	ZINC001341366798	953226258	/nfs/dbraw/zinc/22/62/58/953226258.db2.gz	BFURMLAVEBBOMJ-UHFFFAOYSA-N	-1	0	320.345	0.585	20	30		DCEDRM
CC(C)(CNC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)N1CCCC1	ZINC001602944135	971913673	/nfs/dbraw/zinc/91/36/73/971913673.db2.gz	GYQCONMPIFXJPB-HNNXBMFYSA-N	-1	0	309.366	0.756	20	30		DCEDRM
O=C1Nc2cc(N3CCOCC3)ccc2C1=N[N-]c1nc[nH]n1	ZINC001342850639	953311462	/nfs/dbraw/zinc/31/14/62/953311462.db2.gz	QODJFGOKNGJMDW-UHFFFAOYSA-N	-1	0	313.321	0.410	20	30		DCEDRM
COCCCn1cc(C([O-])=C(C#N)C(=O)NCCOC)cn1	ZINC001343410747	953344322	/nfs/dbraw/zinc/34/43/22/953344322.db2.gz	GVMJLVCZFMMHHH-GFCCVEGCSA-N	-1	0	308.338	0.005	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(C[C@@H]2CCOC2)nn1	ZINC001343499914	953349353	/nfs/dbraw/zinc/34/93/53/953349353.db2.gz	GXDVHRYCLYJUIS-WDEREUQCSA-N	-1	0	305.338	0.162	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCCCCO	ZINC001343788002	953376550	/nfs/dbraw/zinc/37/65/50/953376550.db2.gz	WKKUAGJCYCDSNI-UHFFFAOYSA-N	-1	0	320.397	0.677	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cnc2nccnc2c1	ZINC001344024430	953408103	/nfs/dbraw/zinc/40/81/03/953408103.db2.gz	VVRUHEVQQAKUIM-SNVBAGLBSA-N	-1	0	306.285	0.964	20	30		DCEDRM
C[C@H]1CN(c2ccc(C(=O)[O-])nc2C#N)C[C@H](C)S1(=O)=O	ZINC001604809422	1169693237	/nfs/dbraw/zinc/69/32/37/1169693237.db2.gz	ABLXVBFRESUTDT-IUCAKERBSA-N	-1	0	309.347	0.663	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(OCC(N)=O)c1	ZINC001344541833	953496253	/nfs/dbraw/zinc/49/62/53/953496253.db2.gz	NIBULOKWRKYUID-LBPRGKRZSA-N	-1	0	301.302	0.152	20	30		DCEDRM
C#CCN(CC)c1nnc(-c2cc(=O)n(C)[n-]2)n1CCOC	ZINC001345524680	953679267	/nfs/dbraw/zinc/67/92/67/953679267.db2.gz	CSQBJNHYIVRZPK-UHFFFAOYSA-N	-1	0	304.354	0.490	20	30		DCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(C#N)cn1	ZINC001589310410	953785390	/nfs/dbraw/zinc/78/53/90/953785390.db2.gz	MYWSUJCVLDNTHL-KOLCDFICSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CCn1c(CCCC#N)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001593661176	953803427	/nfs/dbraw/zinc/80/34/27/953803427.db2.gz	XXICCQZXRLRCRL-IAQYHMDHSA-N	-1	0	319.365	0.682	20	30		DCEDRM
Cc1oc(C([O-])=C(C#N)C(=O)NC2CC2)cc1S(C)(=O)=O	ZINC001346121719	953805446	/nfs/dbraw/zinc/80/54/46/953805446.db2.gz	HPIKDYVPLNDYAY-SECBINFHSA-N	-1	0	310.331	0.593	20	30		DCEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001589315144	953828467	/nfs/dbraw/zinc/82/84/67/953828467.db2.gz	YTUHPBOHRSPYTB-HSMVNMDESA-N	-1	0	321.377	0.898	20	30		DCEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001589315146	953829474	/nfs/dbraw/zinc/82/94/74/953829474.db2.gz	YTUHPBOHRSPYTB-XHBSWPGZSA-N	-1	0	321.377	0.898	20	30		DCEDRM
CC(C)C#CC(=O)NCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001282998158	953897479	/nfs/dbraw/zinc/89/74/79/953897479.db2.gz	GJSGADRJWQKADL-UHFFFAOYSA-N	-1	0	316.317	0.434	20	30		DCEDRM
CN(C(=O)COC(=O)COCC(=O)[O-])C1(C#N)CCCCC1	ZINC001593676237	953929359	/nfs/dbraw/zinc/92/93/59/953929359.db2.gz	MKDNDFOOWZGMCD-UHFFFAOYSA-N	-1	0	312.322	0.316	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)C[C@H](C)N1CC#N	ZINC001589393032	954343902	/nfs/dbraw/zinc/34/39/02/954343902.db2.gz	VQQJZGSGQFIYAP-AOOOYVTPSA-N	-1	0	305.338	0.177	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001283852833	954665741	/nfs/dbraw/zinc/66/57/41/954665741.db2.gz	XIBTUVXUVYFGQS-NSHDSACASA-N	-1	0	304.350	0.558	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001284239860	954953671	/nfs/dbraw/zinc/95/36/71/954953671.db2.gz	RFRLJTXGKGGMHP-QMMMGPOBSA-N	-1	0	323.353	0.120	20	30		DCEDRM
CC[C@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)C(=O)[O-]	ZINC001589519330	955086946	/nfs/dbraw/zinc/08/69/46/955086946.db2.gz	RCJCVIHUHMKARI-LLVKDONJSA-N	-1	0	315.329	0.674	20	30		DCEDRM
CC[C@H](CNC(=O)NCCNc1ncccc1C#N)C(=O)[O-]	ZINC001589537648	955171743	/nfs/dbraw/zinc/17/17/43/955171743.db2.gz	JNXLOFRMEPVGSC-SNVBAGLBSA-N	-1	0	305.338	0.775	20	30		DCEDRM
CC(C)C[C@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)CC(=O)[O-]	ZINC001603042169	972104796	/nfs/dbraw/zinc/10/47/96/972104796.db2.gz	HILHBQAIPYSPRQ-QWRGUYRKSA-N	-1	0	307.354	0.964	20	30		DCEDRM
COC(=O)c1ccccc1N=NC(C)c1cn(CC(=O)[O-])nn1	ZINC001593888888	955769700	/nfs/dbraw/zinc/76/97/00/955769700.db2.gz	VJFZRXJYPLSENU-UHFFFAOYSA-N	-1	0	317.305	0.985	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1	ZINC001593905256	955905842	/nfs/dbraw/zinc/90/58/42/955905842.db2.gz	OSYRROSTIPBSEI-YPMHNXCESA-N	-1	0	318.333	0.456	20	30		DCEDRM
C[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001589088488	955920115	/nfs/dbraw/zinc/92/01/15/955920115.db2.gz	XKDYYZLGQADVLH-CHWFTXMASA-N	-1	0	319.365	0.962	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)Nc1ccn(CCC#N)n1)C(=O)[O-]	ZINC001594588799	956026476	/nfs/dbraw/zinc/02/64/76/956026476.db2.gz	BOTBMMYYQDXRQU-LLVKDONJSA-N	-1	0	317.309	0.478	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1	ZINC001594604163	956161784	/nfs/dbraw/zinc/16/17/84/956161784.db2.gz	QYRGLIYBQGSGHH-UHFFFAOYSA-N	-1	0	301.302	0.672	20	30		DCEDRM
CC[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H](O)C(F)(F)F	ZINC001413887899	956263275	/nfs/dbraw/zinc/26/32/75/956263275.db2.gz	QLCJOYWJSXRYAJ-NKWVEPMBSA-N	-1	0	306.244	0.059	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)c1ccc(C(=O)[O-])nc1	ZINC001594631872	956347276	/nfs/dbraw/zinc/34/72/76/956347276.db2.gz	PKKZXACCVADQPR-UHFFFAOYSA-N	-1	0	311.301	0.888	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)/C=C\c2ccc(C(=O)[O-])o2)n1	ZINC001594634857	956365750	/nfs/dbraw/zinc/36/57/50/956365750.db2.gz	BTKKEOIWIFTVKC-RQOWECAXSA-N	-1	0	301.262	0.271	20	30		DCEDRM
COCC#CCN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001593950545	956377711	/nfs/dbraw/zinc/37/77/11/956377711.db2.gz	BQULYWPPMPGJET-VHSXEESVSA-N	-1	0	322.283	0.232	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001589187319	956565970	/nfs/dbraw/zinc/56/59/70/956565970.db2.gz	QJAJSSTZASVJEE-CQSZACIVSA-N	-1	0	301.306	0.746	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2csc(C#N)c2)CCO1	ZINC001593984244	956745997	/nfs/dbraw/zinc/74/59/97/956745997.db2.gz	VPWKVGPKQUKHSX-CYBMUJFWSA-N	-1	0	310.331	0.562	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC001290131035	956835108	/nfs/dbraw/zinc/83/51/08/956835108.db2.gz	NRHJKFBIRGIDLQ-NWDGAFQWSA-N	-1	0	317.393	0.869	20	30		DCEDRM
COCCOc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])nn1	ZINC001594020113	957076453	/nfs/dbraw/zinc/07/64/53/957076453.db2.gz	NCLJIMCIRGEHRG-CQSZACIVSA-N	-1	0	322.321	0.123	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)Nc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001603144633	972240000	/nfs/dbraw/zinc/24/00/00/972240000.db2.gz	DIFPVYIERVEKQL-JTQLQIEISA-N	-1	0	319.317	0.707	20	30		DCEDRM
CC#CCCCC(=O)NCCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001293249918	957325136	/nfs/dbraw/zinc/32/51/36/957325136.db2.gz	OJGCOGCYPVMUMM-UHFFFAOYSA-N	-1	0	306.366	0.853	20	30		DCEDRM
Cc1nc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)ccc1[C@H](C)O	ZINC001413883829	957516813	/nfs/dbraw/zinc/51/68/13/957516813.db2.gz	CUVRPYWXGCNMDA-VIFPVBQESA-N	-1	0	315.333	0.314	20	30		DCEDRM
Cc1cc(C#N)ccc1Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001594274041	957700550	/nfs/dbraw/zinc/70/05/50/957700550.db2.gz	MKMRKPYAIRWJBK-UHFFFAOYSA-N	-1	0	324.296	0.195	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001295580734	957758392	/nfs/dbraw/zinc/75/83/92/957758392.db2.gz	JLLVHNMGSIQEMO-RKDXNWHRSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C#C[C@H](C)NC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001588386521	957980114	/nfs/dbraw/zinc/98/01/14/957980114.db2.gz	BLODGZJMJWOWIU-WDEREUQCSA-N	-1	0	307.350	0.115	20	30		DCEDRM
C#CCCC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001588390864	958015442	/nfs/dbraw/zinc/01/54/42/958015442.db2.gz	PEEHZLQYXZMJES-ZJUUUORDSA-N	-1	0	306.284	0.996	20	30		DCEDRM
COc1cc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])ccc1C#N	ZINC001594055891	958033810	/nfs/dbraw/zinc/03/38/10/958033810.db2.gz	CTXSSHDNZZKFFF-LBPRGKRZSA-N	-1	0	324.358	0.250	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(F)cc(F)c1F	ZINC001588394462	958034928	/nfs/dbraw/zinc/03/49/28/958034928.db2.gz	DUBGTTAOJFZBHP-UHFFFAOYSA-N	-1	0	314.219	0.589	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(SC)nc1	ZINC001588395158	958038275	/nfs/dbraw/zinc/03/82/75/958038275.db2.gz	KBGDDEQYDBUAAT-UHFFFAOYSA-N	-1	0	307.331	0.288	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc(C(=O)CC)c1	ZINC001588396073	958046935	/nfs/dbraw/zinc/04/69/35/958046935.db2.gz	SYOQXQHIHVZPEW-UHFFFAOYSA-N	-1	0	316.313	0.764	20	30		DCEDRM
C#CCN(CC(=O)Nc1n[nH]cc1C(=O)[O-])C(=O)OC(C)(C)C	ZINC001588396066	958047166	/nfs/dbraw/zinc/04/71/66/958047166.db2.gz	SUWFHPZVPIHHMF-UHFFFAOYSA-N	-1	0	322.321	0.917	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc2c1O[C@H](C)C(=O)N2	ZINC001588418611	958181877	/nfs/dbraw/zinc/18/18/77/958181877.db2.gz	AKMZCFXQJQKXNS-SECBINFHSA-N	-1	0	302.286	0.566	20	30		DCEDRM
Cc1cccc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001361665184	958192269	/nfs/dbraw/zinc/19/22/69/958192269.db2.gz	DZYQJAJGFHKMLG-UHFFFAOYSA-N	-1	0	313.317	0.231	20	30		DCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(S(=O)(=O)N(C)C)s1	ZINC001588424832	958221498	/nfs/dbraw/zinc/22/14/98/958221498.db2.gz	YJRAXTFPSUGBAT-UHFFFAOYSA-N	-1	0	316.404	0.518	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)[C@H](CCC)C(=O)OCC	ZINC001588425169	958222505	/nfs/dbraw/zinc/22/25/05/958222505.db2.gz	GSEUWVUOZOTQMS-SNVBAGLBSA-N	-1	0	305.352	0.068	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2(OC)CC2)n1CC1CC1	ZINC001588426913	958235656	/nfs/dbraw/zinc/23/56/56/958235656.db2.gz	GPCVSLBMWGUJRD-UHFFFAOYSA-N	-1	0	304.350	0.848	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1	ZINC001588430481	958257277	/nfs/dbraw/zinc/25/72/77/958257277.db2.gz	MFQUIYBLYKBFIG-INIZCTEOSA-N	-1	0	306.362	0.475	20	30		DCEDRM
COc1ccc([C@H](CO)CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC001594080873	958266403	/nfs/dbraw/zinc/26/64/03/958266403.db2.gz	UUZGQDRDYZMSRL-LRDDRELGSA-N	-1	0	320.345	0.892	20	30		DCEDRM
C#CCN1CCC[C@H]1c1nnc(N2CCC(C(=O)[O-])CC2)n1C	ZINC001588431526	958270296	/nfs/dbraw/zinc/27/02/96/958270296.db2.gz	ZTNOPQQHNYSPFK-ZDUSSCGKSA-N	-1	0	317.393	0.886	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)c2cc(C(=O)[O-])n[nH]2)n1	ZINC001588432961	958289920	/nfs/dbraw/zinc/28/99/20/958289920.db2.gz	IMDUBRJDYVEMQO-UHFFFAOYSA-N	-1	0	301.306	0.600	20	30		DCEDRM
C#CCOc1cccc(OC(=O)c2cn(CC(=O)[O-])nn2)c1	ZINC001588433062	958291409	/nfs/dbraw/zinc/29/14/09/958291409.db2.gz	CDQZGKNCWHVNNU-UHFFFAOYSA-N	-1	0	301.258	0.594	20	30		DCEDRM
C#CCSCCOC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588433156	958292631	/nfs/dbraw/zinc/29/26/31/958292631.db2.gz	LMSGWXJIPRNOIV-UHFFFAOYSA-N	-1	0	320.388	0.176	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001588451134	958405835	/nfs/dbraw/zinc/40/58/35/958405835.db2.gz	NBZDFHBRQCDMKW-SNVBAGLBSA-N	-1	0	306.318	0.949	20	30		DCEDRM
C=CCCc1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc1	ZINC001588460709	958479926	/nfs/dbraw/zinc/47/99/26/958479926.db2.gz	UIOWFKIGNKPOSO-CQSZACIVSA-N	-1	0	313.375	0.919	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1	ZINC001588465229	958498344	/nfs/dbraw/zinc/49/83/44/958498344.db2.gz	RLHOCNQPJQJSRL-BPCQOVAHSA-N	-1	0	324.377	0.550	20	30		DCEDRM
C=CCSCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588469615	958518751	/nfs/dbraw/zinc/51/87/51/958518751.db2.gz	NTRFRURDBKVSAW-JTQLQIEISA-N	-1	0	300.380	0.345	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2cccc(Cl)c2)c(=O)[n-]c1=O	ZINC001362022366	958617908	/nfs/dbraw/zinc/61/79/08/958617908.db2.gz	IAGNKVNGXAMURQ-UHFFFAOYSA-N	-1	0	318.720	0.790	20	30		DCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cccc2[nH]c(CO)nc21	ZINC001298542037	958642870	/nfs/dbraw/zinc/64/28/70/958642870.db2.gz	QOSYQUCRJGYMEW-SNVBAGLBSA-N	-1	0	304.306	0.165	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC001362092878	958722765	/nfs/dbraw/zinc/72/27/65/958722765.db2.gz	WPHPWAPKRUBNHI-LBPRGKRZSA-N	-1	0	314.305	0.294	20	30		DCEDRM
CCOC[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362194755	958908536	/nfs/dbraw/zinc/90/85/36/958908536.db2.gz	BFVNLQIQRMFJGQ-LLVKDONJSA-N	-1	0	320.349	0.096	20	30		DCEDRM
COC(=O)N1CCC[C@@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362199513	958918473	/nfs/dbraw/zinc/91/84/73/958918473.db2.gz	JCMHNGKQQBQWAV-LLVKDONJSA-N	-1	0	318.333	0.928	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1Cc2ccccc2NC1=O	ZINC001588538278	958939046	/nfs/dbraw/zinc/93/90/46/958939046.db2.gz	GPOQUWJVARNRKE-IAQYHMDHSA-N	-1	0	301.302	0.671	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1	ZINC001588538898	958946277	/nfs/dbraw/zinc/94/62/77/958946277.db2.gz	QAOBNZFGOPPMPP-VAOFZXAKSA-N	-1	0	308.256	0.620	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCn2c(nnc2C(F)F)C1	ZINC001588539141	958951943	/nfs/dbraw/zinc/95/19/43/958951943.db2.gz	ZSEVQRWVGKYKLN-GFCCVEGCSA-N	-1	0	313.264	0.562	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nc([C@H]2CCCO2)n[nH]1	ZINC001588541464	958962593	/nfs/dbraw/zinc/96/25/93/958962593.db2.gz	BYJNXSPCIKYVNE-AMIZOPFISA-N	-1	0	307.310	0.277	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN1CCOCC1(C)C	ZINC001362236742	958976802	/nfs/dbraw/zinc/97/68/02/958976802.db2.gz	KRXLXGZUXCYSCK-UHFFFAOYSA-N	-1	0	318.377	0.808	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CCO)Cc1cccnc1	ZINC001362270766	959044348	/nfs/dbraw/zinc/04/43/48/959044348.db2.gz	ZNGVCSPKCQGXEL-UHFFFAOYSA-N	-1	0	312.329	0.997	20	30		DCEDRM
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)C(=O)[O-])CC2)o1	ZINC001594445131	959319797	/nfs/dbraw/zinc/31/97/97/959319797.db2.gz	NAWYLRXTPGKFNG-MRVPVSSYSA-N	-1	0	306.322	0.660	20	30		DCEDRM
Cc1nc(C#N)cc(N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1	ZINC001594445340	959323910	/nfs/dbraw/zinc/32/39/10/959323910.db2.gz	VLZJXKWPWQFXCL-NSHDSACASA-N	-1	0	303.322	0.534	20	30		DCEDRM
Cc1nccc(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)n1	ZINC001594470821	959556399	/nfs/dbraw/zinc/55/63/99/959556399.db2.gz	JGKLNFBEPVJXIF-OAHLLOKOSA-N	-1	0	317.349	0.438	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)C1CCOCC1	ZINC001362594005	959661381	/nfs/dbraw/zinc/66/13/81/959661381.db2.gz	ZCPKCCQMFRKTDS-LBPRGKRZSA-N	-1	0	305.334	0.485	20	30		DCEDRM
N#Cc1nc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)[n-]c1C#N	ZINC001362611944	959698177	/nfs/dbraw/zinc/69/81/77/959698177.db2.gz	JDMYSIPKSXONNQ-JTQLQIEISA-N	-1	0	306.285	0.966	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC2CCC(F)CC2)c(=O)[n-]c1=O	ZINC001362631360	959731720	/nfs/dbraw/zinc/73/17/20/959731720.db2.gz	HUCAHAPUOHAMEV-UHFFFAOYSA-N	-1	0	308.313	0.465	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1(CO)CCOCC1	ZINC001362644088	959757511	/nfs/dbraw/zinc/75/75/11/959757511.db2.gz	QQKAZZJQMLSFQJ-UHFFFAOYSA-N	-1	0	305.334	0.486	20	30		DCEDRM
CC1(C)CCC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362666002	959796432	/nfs/dbraw/zinc/79/64/32/959796432.db2.gz	LHIAKAVLDHHCJH-LLVKDONJSA-N	-1	0	304.350	0.906	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H](C2CC2)C(F)(F)F)c(=O)[n-]c1=O	ZINC001362678500	959816054	/nfs/dbraw/zinc/81/60/54/959816054.db2.gz	RJANLMJREFSNTJ-SECBINFHSA-N	-1	0	316.239	0.278	20	30		DCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCCCC1	ZINC001362810917	960023004	/nfs/dbraw/zinc/02/30/04/960023004.db2.gz	ZQDFPVXXMOKJTH-JTQLQIEISA-N	-1	0	304.350	0.906	20	30		DCEDRM
CC[C@H](CC#N)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001362825596	960046080	/nfs/dbraw/zinc/04/60/80/960046080.db2.gz	PEPHAKGNUJTXTL-LLVKDONJSA-N	-1	0	314.349	0.995	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](C)N(CCO)C[C@H]1C	ZINC001362902913	960156008	/nfs/dbraw/zinc/15/60/08/960156008.db2.gz	LNMLKZCVCIFZAS-NWDGAFQWSA-N	-1	0	318.377	0.494	20	30		DCEDRM
C=C(C)COCCNS(=O)(=O)c1cc(C(=O)OC)[nH]n1	ZINC001309301847	960193121	/nfs/dbraw/zinc/19/31/21/960193121.db2.gz	VZJUDEHTHPFCAQ-UHFFFAOYSA-N	-1	0	303.340	0.067	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCc2c(nnn2C)C1	ZINC001362963276	960234402	/nfs/dbraw/zinc/23/44/02/960234402.db2.gz	FSHYFMPQCCSRQQ-SNVBAGLBSA-N	-1	0	312.333	0.383	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCCC12OCCO2	ZINC001363100928	960400902	/nfs/dbraw/zinc/40/09/02/960400902.db2.gz	LINDXWIUZOKAHW-LLVKDONJSA-N	-1	0	303.318	0.993	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CC2CCSCC2)c(=O)[n-]c1=O	ZINC001363126781	960437010	/nfs/dbraw/zinc/43/70/10/960437010.db2.gz	FJLZOVJLTPSXEA-UHFFFAOYSA-N	-1	0	322.390	0.470	20	30		DCEDRM
N#C[C@@]1(c2ccccn2)CCCN(C(=O)CCc2nnn[n-]2)C1	ZINC001363152130	960492645	/nfs/dbraw/zinc/49/26/45/960492645.db2.gz	YSORBUWYWBIGOC-HNNXBMFYSA-N	-1	0	311.349	0.611	20	30		DCEDRM
C[C@@H](O)[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccc1	ZINC001363157916	960503905	/nfs/dbraw/zinc/50/39/05/960503905.db2.gz	WNMSOXGMRJOKLW-BXKDBHETSA-N	-1	0	300.318	0.479	20	30		DCEDRM
COc1cc(C(=O)NCc2nc([O-])cc(=O)[nH]2)ccc1C#N	ZINC001363329347	960909263	/nfs/dbraw/zinc/90/92/63/960909263.db2.gz	QOPJATTZVYHHAZ-UHFFFAOYSA-N	-1	0	300.274	0.698	20	30		DCEDRM
COc1cccc(CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001571080889	961008223	/nfs/dbraw/zinc/00/82/23/961008223.db2.gz	ZBUIGRYYYJMPBU-UHFFFAOYSA-N	-1	0	303.318	0.850	20	30		DCEDRM
C[C@@]1(C#N)CN(C(=O)Nc2cccc(CC(=O)[O-])n2)CCO1	ZINC001571085000	961044277	/nfs/dbraw/zinc/04/42/77/961044277.db2.gz	KATSVOFULHFMAE-CQSZACIVSA-N	-1	0	304.306	0.855	20	30		DCEDRM
N#CCc1cccc(NC(=O)N[C@@]2(CC(=O)[O-])CCOC2)n1	ZINC001571085344	961050695	/nfs/dbraw/zinc/05/06/95/961050695.db2.gz	NNHOGSKTYSDARH-CQSZACIVSA-N	-1	0	304.306	0.903	20	30		DCEDRM
N#C[C@]1(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)CCCOC1	ZINC001363429366	961131583	/nfs/dbraw/zinc/13/15/83/961131583.db2.gz	CTOIVGRHASOHQA-SMDDNHRTSA-N	-1	0	304.354	0.301	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)[C@@H]1CCCOC1	ZINC001363445192	961169795	/nfs/dbraw/zinc/16/97/95/961169795.db2.gz	PKUVZAAHXIHGKS-ZYHUDNBSSA-N	-1	0	305.334	0.485	20	30		DCEDRM
CSc1cccnc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001363477603	961239350	/nfs/dbraw/zinc/23/93/50/961239350.db2.gz	YWATVUIXCPJHKX-UHFFFAOYSA-N	-1	0	317.330	0.576	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2CC23CCCC3)c(=O)[n-]c1=O	ZINC001363485221	961256481	/nfs/dbraw/zinc/25/64/81/961256481.db2.gz	VOCLPFUNTISPEQ-NSHDSACASA-N	-1	0	302.334	0.517	20	30		DCEDRM
CCOC(=O)C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(F)(F)F	ZINC001573894237	961372408	/nfs/dbraw/zinc/37/24/08/961372408.db2.gz	BDBWBJPDKZPIKG-HQJQHLMTSA-N	-1	0	324.255	0.991	20	30		DCEDRM
CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(Cc2ccc(C#N)cc2)C1	ZINC001571116943	961404086	/nfs/dbraw/zinc/40/40/86/961404086.db2.gz	PCVXRANMGHXLMY-LSDHHAIUSA-N	-1	0	313.357	0.922	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCN(CC(F)(F)F)C1)C(=O)[O-]	ZINC001331896804	961406775	/nfs/dbraw/zinc/40/67/75/961406775.db2.gz	SFLOJORVGAEWCR-VHSXEESVSA-N	-1	0	324.299	0.643	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1	ZINC001571125737	961494776	/nfs/dbraw/zinc/49/47/76/961494776.db2.gz	KOAKOTMOTJHBTB-OLZOCXBDSA-N	-1	0	315.329	0.658	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@H](CCNc2ncc(C(=O)[O-])cn2)C1	ZINC001571133459	961591244	/nfs/dbraw/zinc/59/12/44/961591244.db2.gz	OLPURIFFDYXYQW-QWRGUYRKSA-N	-1	0	317.349	0.985	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c1	ZINC001574489875	961708640	/nfs/dbraw/zinc/70/86/40/961708640.db2.gz	RLPWLMWJNQTXPM-ZDUSSCGKSA-N	-1	0	315.329	0.754	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1	ZINC001574489874	961709122	/nfs/dbraw/zinc/70/91/22/961709122.db2.gz	RLPWLMWJNQTXPM-CYBMUJFWSA-N	-1	0	315.329	0.754	20	30		DCEDRM
COC(=O)[C@@]1(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)CCOC1	ZINC001363700096	961718061	/nfs/dbraw/zinc/71/80/61/961718061.db2.gz	YMLLBWMFQKEWAP-OAHLLOKOSA-N	-1	0	319.317	0.277	20	30		DCEDRM
Cc1c(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cnn1CCC#N	ZINC001571146468	961752823	/nfs/dbraw/zinc/75/28/23/961752823.db2.gz	YYXUQLIBYDMUOE-CYBMUJFWSA-N	-1	0	320.349	0.403	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](CCCO)c2ccccc2)c(C#N)c1=O	ZINC001363724811	961766519	/nfs/dbraw/zinc/76/65/19/961766519.db2.gz	BYJIUZMYZOHJNY-ZDUSSCGKSA-N	-1	0	314.345	0.871	20	30		DCEDRM
COC(=O)[C@H]1CCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001571163649	961955276	/nfs/dbraw/zinc/95/52/76/961955276.db2.gz	PSLHTFYHMMUFQW-SNVBAGLBSA-N	-1	0	324.314	0.192	20	30		DCEDRM
CN(CC(=O)C(C)(C)C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363954299	962186135	/nfs/dbraw/zinc/18/61/35/962186135.db2.gz	BNKUPQUCKUXTTP-UHFFFAOYSA-N	-1	0	320.349	0.284	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)CC2	ZINC001348841381	962456884	/nfs/dbraw/zinc/45/68/84/962456884.db2.gz	SUBBQQGXHOWKEO-LBPRGKRZSA-N	-1	0	313.313	0.380	20	30		DCEDRM
CSCc1nc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)n[nH]1	ZINC001364121373	962508631	/nfs/dbraw/zinc/50/86/31/962508631.db2.gz	YEEJJMLAVSQVPJ-UHFFFAOYSA-N	-1	0	318.362	0.878	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2ccc3c(c2)OCO3)c(C#N)c1=O	ZINC001364129054	962524912	/nfs/dbraw/zinc/52/49/12/962524912.db2.gz	SLKVGXZCFYEMCX-UHFFFAOYSA-N	-1	0	314.301	0.329	20	30		DCEDRM
COc1cccc([C@@H](O)CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001364142931	962549346	/nfs/dbraw/zinc/54/93/46/962549346.db2.gz	ADAFLIXAEJBLSE-LBPRGKRZSA-N	-1	0	316.317	0.099	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CNC(=O)[O-]	ZINC001573302556	962654772	/nfs/dbraw/zinc/65/47/72/962654772.db2.gz	CKFRLHKYISHNRQ-CHWSQXEVSA-N	-1	0	321.377	0.649	20	30		DCEDRM
C#CCC1(C(=O)N[C@H]2C[C@@H](C)N(C(=O)CNC(=O)[O-])C2)CCC1	ZINC001573303905	962683486	/nfs/dbraw/zinc/68/34/86/962683486.db2.gz	UMTAJGGCXZYRQA-NEPJUHHUSA-N	-1	0	321.377	0.553	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)[O-]	ZINC001354050543	962703112	/nfs/dbraw/zinc/70/31/12/962703112.db2.gz	JHSUZCSOBGCQQI-SECBINFHSA-N	-1	0	316.235	0.460	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)/C=C(/C)CN1CCOCC1)C(=O)[O-]	ZINC001354052869	962704998	/nfs/dbraw/zinc/70/49/98/962704998.db2.gz	WFTBYCOKQOZYOI-KIWPFMIBSA-N	-1	0	312.366	0.037	20	30		DCEDRM
C=C(Br)CN1CC[C@H]1CN(C)C(=O)CNC(=O)[O-]	ZINC001573313187	962728063	/nfs/dbraw/zinc/72/80/63/962728063.db2.gz	FMEGTLLTRDLOGV-VIFPVBQESA-N	-1	0	320.187	0.695	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2sncc2Br)c1=O	ZINC001364278256	962804362	/nfs/dbraw/zinc/80/43/62/962804362.db2.gz	IPLBAFYSZQSSGE-UHFFFAOYSA-N	-1	0	313.136	0.676	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C)C(=O)[O-]	ZINC000275068546	962821871	/nfs/dbraw/zinc/82/18/71/962821871.db2.gz	WAIWLCVUSHYKHE-NSHDSACASA-N	-1	0	322.346	0.032	20	30		DCEDRM
C=C(Cl)CN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573338748	962879557	/nfs/dbraw/zinc/87/95/57/962879557.db2.gz	HNHOZDIJWJZVBR-NXEZZACHSA-N	-1	0	302.758	0.013	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573339635	962893291	/nfs/dbraw/zinc/89/32/91/962893291.db2.gz	UNDVJCXNWISJMG-QMMMGPOBSA-N	-1	0	319.789	0.901	20	30		DCEDRM
C=C(Cl)CN1CCN(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573343447	962904235	/nfs/dbraw/zinc/90/42/35/962904235.db2.gz	DQLRKQUBKSZHHS-RYUDHWBXSA-N	-1	0	315.801	0.193	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)CNC(=O)[O-])[C@@H]1C	ZINC001573347783	962950547	/nfs/dbraw/zinc/95/05/47/962950547.db2.gz	NZTMJDYULCRBJG-MNOVXSKESA-N	-1	0	311.382	0.962	20	30		DCEDRM
C=C[C@@H](C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)[O-]	ZINC001573348025	962953839	/nfs/dbraw/zinc/95/38/39/962953839.db2.gz	ROJBFOUCMYGBAQ-XQHKEYJVSA-N	-1	0	323.393	0.914	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OCC	ZINC001573353466	963002219	/nfs/dbraw/zinc/00/22/19/963002219.db2.gz	WCROLDXTPXIVEU-KXUCPTDWSA-N	-1	0	305.352	0.277	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001573368213	963076834	/nfs/dbraw/zinc/07/68/34/963076834.db2.gz	CAEFPEURXAOFMJ-GFCCVEGCSA-N	-1	0	320.349	0.780	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H](C)[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001573368646	963084625	/nfs/dbraw/zinc/08/46/25/963084625.db2.gz	ISCGTLMZAJPMAX-PWSUYJOCSA-N	-1	0	320.349	0.636	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)NC1(CC(=O)[O-])CCOCC1	ZINC001573407379	963148959	/nfs/dbraw/zinc/14/89/59/963148959.db2.gz	JZYJGQAMOLYFJS-UHFFFAOYSA-N	-1	0	304.368	0.479	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC001573408376	963150774	/nfs/dbraw/zinc/15/07/74/963150774.db2.gz	XNJFMPZNCHZMMW-VHSXEESVSA-N	-1	0	304.368	0.478	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC001573408374	963151221	/nfs/dbraw/zinc/15/12/21/963151221.db2.gz	XNJFMPZNCHZMMW-UWVGGRQHSA-N	-1	0	304.368	0.478	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC001588444519	964064215	/nfs/dbraw/zinc/06/42/15/964064215.db2.gz	GTXAAEKAUGRVCT-UHFFFAOYSA-N	-1	0	313.350	0.978	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000092130962	967592608	/nfs/dbraw/zinc/59/26/08/967592608.db2.gz	BQMLIINZDZQUGL-CYBMUJFWSA-N	-1	0	310.331	0.275	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)nc1F	ZINC001588426293	969881665	/nfs/dbraw/zinc/88/16/65/969881665.db2.gz	GGBCEJNJHIKOKN-UHFFFAOYSA-N	-1	0	306.702	0.583	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1	ZINC001609693109	970453746	/nfs/dbraw/zinc/45/37/46/970453746.db2.gz	VJXUFSJQLQATGA-DOMZBBRYSA-N	-1	0	317.301	0.854	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001609696228	970456411	/nfs/dbraw/zinc/45/64/11/970456411.db2.gz	DGCXWFVNXLZYQM-NEPJUHHUSA-N	-1	0	309.366	0.708	20	30		DCEDRM
CC1(C#N)CCN(C(=O)NCCOCCOCC(=O)[O-])CC1	ZINC001603290275	972544251	/nfs/dbraw/zinc/54/42/51/972544251.db2.gz	JDOSZRBQOBTMDY-UHFFFAOYSA-N	-1	0	313.354	0.439	20	30		DCEDRM
Cc1cc(N[C@H]2CCCCN(CC(=O)[O-])C2=O)c(C#N)cn1	ZINC001605213504	972957791	/nfs/dbraw/zinc/95/77/91/972957791.db2.gz	PBHIFXIRRUVCFV-LBPRGKRZSA-N	-1	0	302.334	0.561	20	30		DCEDRM
C[C@@H]1CN(C(=O)NC2CCN(CC#N)CC2)CC[C@@H]1C(=O)[O-]	ZINC001603442864	973235633	/nfs/dbraw/zinc/23/56/33/973235633.db2.gz	LBVOASHYNOQFIG-YPMHNXCESA-N	-1	0	308.382	0.727	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC001604455669	973298919	/nfs/dbraw/zinc/29/89/19/973298919.db2.gz	YRENQELVPMKPEX-CZUORRHYSA-N	-1	0	318.329	0.948	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1	ZINC001448974014	1014113910	/nfs/dbraw/zinc/11/39/10/1014113910.db2.gz	VRHORIDPPJQSAV-BZNIZROVSA-N	-1	0	317.345	0.987	20	30		DCEDRM
CC[C@@](C)(C#N)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001603505150	973487078	/nfs/dbraw/zinc/48/70/78/973487078.db2.gz	YKXYRSRGIBFINW-ZBEGNZNMSA-N	-1	0	321.377	0.850	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1	ZINC001605581923	973862303	/nfs/dbraw/zinc/86/23/03/973862303.db2.gz	OLJREGKMLRLBEA-JTQLQIEISA-N	-1	0	316.317	0.871	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC001604685428	973882145	/nfs/dbraw/zinc/88/21/45/973882145.db2.gz	ZHYMBQBOAKMCON-VIFPVBQESA-N	-1	0	319.317	0.684	20	30		DCEDRM
N#CCc1ccccc1C(=O)NCCOCCOCC(=O)[O-]	ZINC001605601578	973905066	/nfs/dbraw/zinc/90/50/66/973905066.db2.gz	UJECCCIOWMBEGC-UHFFFAOYSA-N	-1	0	306.318	0.600	20	30		DCEDRM
N#Cc1cccnc1N1CCN(C(=O)CCCC(=O)[O-])CC1	ZINC001605622836	973944742	/nfs/dbraw/zinc/94/47/42/973944742.db2.gz	DIPLCZGSTFWUBB-UHFFFAOYSA-N	-1	0	302.334	0.857	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001592221380	977398767	/nfs/dbraw/zinc/39/87/67/977398767.db2.gz	DKAZROYMVPAVKA-MXWKQRLJSA-N	-1	0	303.384	0.698	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000717771202	977917609	/nfs/dbraw/zinc/91/76/09/977917609.db2.gz	WWVHEDJEJHSRSB-SECBINFHSA-N	-1	0	301.295	0.186	20	30		DCEDRM
N#Cc1cc(F)cc(S(=O)(=O)NCC(F)(F)C(=O)[O-])c1	ZINC000718533753	977972693	/nfs/dbraw/zinc/97/26/93/977972693.db2.gz	QPHMYSAIXYZUFW-UHFFFAOYSA-N	-1	0	308.237	0.696	20	30		DCEDRM
CC[C@@H](CC#N)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001595029464	979157295	/nfs/dbraw/zinc/15/72/95/979157295.db2.gz	BQFFRIMRCAZBPE-VIFPVBQESA-N	-1	0	321.337	0.450	20	30		DCEDRM
C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)C#CC1CC1	ZINC001592730164	979247548	/nfs/dbraw/zinc/24/75/48/979247548.db2.gz	TWULBCXIMVJSGG-SNVBAGLBSA-N	-1	0	302.334	0.269	20	30		DCEDRM
CC[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)C(=O)[O-]	ZINC001595132574	979558195	/nfs/dbraw/zinc/55/81/95/979558195.db2.gz	BHUJBUHMBMPKGY-SECBINFHSA-N	-1	0	304.306	0.427	20	30		DCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC001592834230	979574268	/nfs/dbraw/zinc/57/42/68/979574268.db2.gz	NMGRFEUISLQERG-MEDUHNTESA-N	-1	0	302.330	0.785	20	30		DCEDRM
CC[C@](COC)(NCC(=O)NCc1cccc(C#N)c1)C(=O)[O-]	ZINC001595195120	979910154	/nfs/dbraw/zinc/91/01/54/979910154.db2.gz	OSIDCCHNWAOTTF-MRXNPFEDSA-N	-1	0	319.361	0.644	20	30		DCEDRM
CC[C@H](O)CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001595330764	980568387	/nfs/dbraw/zinc/56/83/87/980568387.db2.gz	XUWXAVIMAAWNMM-JTQLQIEISA-N	-1	0	312.347	0.696	20	30		DCEDRM
CCCC[C@H](ON=C(C)C)C(=O)NCC(=O)NCC(=O)[O-]	ZINC001595652799	982036709	/nfs/dbraw/zinc/03/67/09/982036709.db2.gz	XXULTWLPDCRTKB-JTQLQIEISA-N	-1	0	301.343	0.275	20	30		DCEDRM
CC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001594905271	982384412	/nfs/dbraw/zinc/38/44/12/982384412.db2.gz	QJNJVEBGLWUJSW-QPUJVOFHSA-N	-1	0	308.290	0.924	20	30		DCEDRM
CCCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1nccnc1C#N	ZINC001595882330	982894321	/nfs/dbraw/zinc/89/43/21/982894321.db2.gz	GOHAVNCENLLCFT-WDEREUQCSA-N	-1	0	317.349	0.402	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)C1CCOCC1	ZINC001588372729	983333600	/nfs/dbraw/zinc/33/36/00/983333600.db2.gz	RLMOYXSOUZPVHC-QWHCGFSZSA-N	-1	0	310.350	0.300	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccc(F)cc1	ZINC001588378072	983360749	/nfs/dbraw/zinc/36/07/49/983360749.db2.gz	UGVXRFCHKWVVLY-LLVKDONJSA-N	-1	0	323.305	0.900	20	30		DCEDRM
C#CC1(O)CCN(C(=O)Nc2nc(CC(=O)[O-])cs2)CC1	ZINC001588379362	983364057	/nfs/dbraw/zinc/36/40/57/983364057.db2.gz	GDNDQZYAJXBKEW-UHFFFAOYSA-N	-1	0	309.347	0.762	20	30		DCEDRM
C#CC1(O)CN(C(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)C1	ZINC001588379998	983366547	/nfs/dbraw/zinc/36/65/47/983366547.db2.gz	XAKMQZGTKURLDL-UHFFFAOYSA-N	-1	0	318.285	0.383	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001588383798	983384634	/nfs/dbraw/zinc/38/46/34/983384634.db2.gz	LADSCCLOFQBAEO-SECBINFHSA-N	-1	0	322.342	0.554	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1cc(OC)ccc1C(=O)[O-]	ZINC001588395783	983406353	/nfs/dbraw/zinc/40/63/53/983406353.db2.gz	TZTYSYBCFYXADQ-SECBINFHSA-N	-1	0	313.331	0.056	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC001588396756	983409551	/nfs/dbraw/zinc/40/95/51/983409551.db2.gz	YVGPLHIAJGONBU-MRVPVSSYSA-N	-1	0	301.295	0.186	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F)C(=O)[O-]	ZINC001588398447	983412402	/nfs/dbraw/zinc/41/24/02/983412402.db2.gz	JCPNQLHCEDRJHR-GUBZILKMSA-N	-1	0	323.267	0.563	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1N)C(=O)[O-]	ZINC001588421786	983442876	/nfs/dbraw/zinc/44/28/76/983442876.db2.gz	OFKJLOKSKLFMTM-CYBMUJFWSA-N	-1	0	312.329	0.720	20	30		DCEDRM
C#CCC1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CCC1	ZINC001588428177	983460047	/nfs/dbraw/zinc/46/00/47/983460047.db2.gz	DZSJVFLNHNQLGI-YVECIDJPSA-N	-1	0	318.373	0.664	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)OC	ZINC001588428700	983463478	/nfs/dbraw/zinc/46/34/78/983463478.db2.gz	YJHGRDFZBMIKQD-LLVKDONJSA-N	-1	0	311.315	0.228	20	30		DCEDRM
C#CCCS(=O)(=O)N[C@@]1(C(=O)[O-])C[C@H](OCC)C1(C)C	ZINC001588457825	983482480	/nfs/dbraw/zinc/48/24/80/983482480.db2.gz	HUDIAVGNECVXSN-GXFFZTMASA-N	-1	0	303.380	0.588	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)C(C)C	ZINC001588457900	983482532	/nfs/dbraw/zinc/48/25/32/983482532.db2.gz	JEWIUUZTHPBQEL-LBPRGKRZSA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1	ZINC001588461234	983488854	/nfs/dbraw/zinc/48/88/54/983488854.db2.gz	HTJDLXVRRFPRBT-UHFFFAOYSA-N	-1	0	316.313	0.197	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC001588464896	983495034	/nfs/dbraw/zinc/49/50/34/983495034.db2.gz	SPGUKKTXMPOEIJ-UHFFFAOYSA-N	-1	0	302.261	0.557	20	30		DCEDRM
C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)C1	ZINC001588476572	983512000	/nfs/dbraw/zinc/51/20/00/983512000.db2.gz	FGAZHCUQCJASTA-NSHDSACASA-N	-1	0	323.374	0.156	20	30		DCEDRM
C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1	ZINC001588476994	983513521	/nfs/dbraw/zinc/51/35/21/983513521.db2.gz	IZYIMCMIRDTUGO-LLVKDONJSA-N	-1	0	312.347	0.354	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)OCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588489784	983529039	/nfs/dbraw/zinc/52/90/39/983529039.db2.gz	CYQDZHXRDGRKMJ-JTQLQIEISA-N	-1	0	305.286	0.905	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N(C)CCCNc1ncc(C(=O)[O-])cn1	ZINC001588490800	983534079	/nfs/dbraw/zinc/53/40/79/983534079.db2.gz	YPFGZAMGPDTCCD-LLVKDONJSA-N	-1	0	320.349	0.474	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)cn1	ZINC001588511453	983559545	/nfs/dbraw/zinc/55/95/45/983559545.db2.gz	VICLZRNENLPFKQ-UHFFFAOYSA-N	-1	0	313.313	0.899	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001588536506	983594415	/nfs/dbraw/zinc/59/44/15/983594415.db2.gz	XXEGHMBSNXMBCR-KKOKHZNYSA-N	-1	0	310.350	0.063	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1nc(-c2cnccn2)no1)C(=O)[O-]	ZINC001588547880	983621865	/nfs/dbraw/zinc/62/18/65/983621865.db2.gz	IECYLSXYLBRPMB-MRVPVSSYSA-N	-1	0	303.278	0.676	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001596230197	983624588	/nfs/dbraw/zinc/62/45/88/983624588.db2.gz	VRYNXUPLSVLNBR-VIFPVBQESA-N	-1	0	306.322	0.670	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001596231894	983627499	/nfs/dbraw/zinc/62/74/99/983627499.db2.gz	VZKCUYVYEHUYTA-IJLUTSLNSA-N	-1	0	317.411	0.755	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cc(OC)ns1)C(=O)[O-]	ZINC001588555868	983637820	/nfs/dbraw/zinc/63/78/20/983637820.db2.gz	VMTKPARGXYZYHT-SSDOTTSWSA-N	-1	0	306.365	0.849	20	30		DCEDRM
C=C(C)CN(CC)C(=O)CN1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588563486	983645507	/nfs/dbraw/zinc/64/55/07/983645507.db2.gz	XALILNRQIDTBRT-HNNXBMFYSA-N	-1	0	309.366	0.716	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(N2CCCNC2=O)CC1	ZINC001588614598	983708285	/nfs/dbraw/zinc/70/82/85/983708285.db2.gz	YBDXJBDUUSZZJV-UHFFFAOYSA-N	-1	0	309.366	0.814	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(CC(=O)N2CCCC2)CC1	ZINC001588614781	983708552	/nfs/dbraw/zinc/70/85/52/983708552.db2.gz	BRMVVCDTZKBKMS-UHFFFAOYSA-N	-1	0	323.393	0.174	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21	ZINC001588618869	983713427	/nfs/dbraw/zinc/71/34/27/983713427.db2.gz	CVMIUACDQVVOJI-NEPJUHHUSA-N	-1	0	315.391	0.976	20	30		DCEDRM
CCN(CCNc1cc(C)ncc1C#N)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001596339425	983784100	/nfs/dbraw/zinc/78/41/00/983784100.db2.gz	KKLFTRFWXKXJSJ-QWHCGFSZSA-N	-1	0	316.361	0.665	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O	ZINC001588671688	983821707	/nfs/dbraw/zinc/82/17/07/983821707.db2.gz	FXFOCGZOMJZEHB-MNOVXSKESA-N	-1	0	320.349	0.053	20	30		DCEDRM
C=CC(C)(C)Cn1nnnc1N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588681502	983839827	/nfs/dbraw/zinc/83/98/27/983839827.db2.gz	XVVWTAJSUKNJKB-CQSZACIVSA-N	-1	0	320.353	0.695	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-]	ZINC001588690496	983874460	/nfs/dbraw/zinc/87/44/60/983874460.db2.gz	AYPDZVJVEKQZNZ-DCAQKATOSA-N	-1	0	323.349	0.195	20	30		DCEDRM
C=C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC001588703853	983922643	/nfs/dbraw/zinc/92/26/43/983922643.db2.gz	ANHXUEBQJUYQEE-JGVFFNPUSA-N	-1	0	319.360	0.597	20	30		DCEDRM
CCN1C[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1=O	ZINC001596398602	983951881	/nfs/dbraw/zinc/95/18/81/983951881.db2.gz	ZTQGGTHCXLECBW-JTQLQIEISA-N	-1	0	308.338	0.007	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	ZINC001588719664	983962080	/nfs/dbraw/zinc/96/20/80/983962080.db2.gz	CQJMTUCVORRSEX-WQGACYEGSA-N	-1	0	306.362	0.781	20	30		DCEDRM
C=CC[C@H](CO)Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC001588744800	984046096	/nfs/dbraw/zinc/04/60/96/984046096.db2.gz	QWPRVRAOGGYXBG-SNVBAGLBSA-N	-1	0	323.305	0.758	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001588744794	984046145	/nfs/dbraw/zinc/04/61/45/984046145.db2.gz	QVDGJSSLOHUILV-MRVPVSSYSA-N	-1	0	312.347	0.746	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OCC	ZINC001588750346	984071505	/nfs/dbraw/zinc/07/15/05/984071505.db2.gz	WHBMIOHIRUBABF-SECBINFHSA-N	-1	0	307.368	0.524	20	30		DCEDRM
C=CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001588753371	984084949	/nfs/dbraw/zinc/08/49/49/984084949.db2.gz	GNTSKGDAKAZDKZ-GXSJLCMTSA-N	-1	0	307.306	0.346	20	30		DCEDRM
C=CCC1(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CCOCC1	ZINC001588767213	984128923	/nfs/dbraw/zinc/12/89/23/984128923.db2.gz	PCJFJMNNJOTLEL-LBPRGKRZSA-N	-1	0	324.377	0.551	20	30		DCEDRM
C=CCCC(=O)NC[C@]1(O)CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001588773712	984148702	/nfs/dbraw/zinc/14/87/02/984148702.db2.gz	GLXLDKXOZPTRIC-OAHLLOKOSA-N	-1	0	320.349	0.198	20	30		DCEDRM
C=CCCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)[C@@H]1C	ZINC001588774151	984151357	/nfs/dbraw/zinc/15/13/57/984151357.db2.gz	UXDBMMPCOBUSES-QWRGUYRKSA-N	-1	0	304.350	0.964	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001588777786	984157956	/nfs/dbraw/zinc/15/79/56/984157956.db2.gz	KFSIPMQFQSEYAX-SNVBAGLBSA-N	-1	0	324.308	0.906	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C(=O)OCC	ZINC001588778783	984163000	/nfs/dbraw/zinc/16/30/00/984163000.db2.gz	LXTXJIKNGKHRGJ-JTQLQIEISA-N	-1	0	319.379	0.811	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OC	ZINC001588797290	984228708	/nfs/dbraw/zinc/22/87/08/984228708.db2.gz	BGTAZBDXFIWHDL-JTQLQIEISA-N	-1	0	321.395	0.915	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)[O-]	ZINC001588798043	984232871	/nfs/dbraw/zinc/23/28/71/984232871.db2.gz	RUJDECDCIHNEOJ-SNVBAGLBSA-N	-1	0	303.322	0.972	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588810333	984266337	/nfs/dbraw/zinc/26/63/37/984266337.db2.gz	JPKNTDVWPBRISW-XYPYZODXSA-N	-1	0	320.349	0.249	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)nn1	ZINC001588817194	984275423	/nfs/dbraw/zinc/27/54/23/984275423.db2.gz	DGLCSEWQHVTVRG-LLVKDONJSA-N	-1	0	304.310	0.143	20	30		DCEDRM
C=CCCn1cc(Cn2nc(C(=O)OC)cc2C(=O)[O-])nn1	ZINC001588819922	984279951	/nfs/dbraw/zinc/27/99/51/984279951.db2.gz	IGBMACRIHCKHNR-UHFFFAOYSA-N	-1	0	305.294	0.584	20	30		DCEDRM
C=CCN(C(=O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)[C@@H](C)COC	ZINC001588820206	984282745	/nfs/dbraw/zinc/28/27/45/984282745.db2.gz	WBBZYIIXBMMMID-PVTKRXDGSA-N	-1	0	324.377	0.405	20	30		DCEDRM
C=CCN(CC=C)C(=O)C(=O)NCc1cc(C(=O)[O-])c(C)n1C	ZINC001588825349	984299558	/nfs/dbraw/zinc/29/95/58/984299558.db2.gz	LQUZZJVHMKGGJV-UHFFFAOYSA-N	-1	0	319.361	0.849	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001588828677	984308653	/nfs/dbraw/zinc/30/86/53/984308653.db2.gz	IJHCNHCZNPHAHV-GFCCVEGCSA-N	-1	0	324.377	0.361	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC001588843802	984353764	/nfs/dbraw/zinc/35/37/64/984353764.db2.gz	GKUZNZOCDJVDBL-ZDUSSCGKSA-N	-1	0	321.333	0.422	20	30		DCEDRM
C=CCNc1ncc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])s1	ZINC001588849263	984369762	/nfs/dbraw/zinc/36/97/62/984369762.db2.gz	HGAUXDPAGFNNCP-QMMMGPOBSA-N	-1	0	324.362	0.156	20	30		DCEDRM
C=CCOC[C@H](NC(=O)COCC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588853592	984384133	/nfs/dbraw/zinc/38/41/33/984384133.db2.gz	BSEVULYMGRFSSG-JTQLQIEISA-N	-1	0	317.338	0.117	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C1(C(=O)OCC)CCCC1)C(=O)[O-]	ZINC001588855691	984394426	/nfs/dbraw/zinc/39/44/26/984394426.db2.gz	PKNGSWOZEAXGEU-LLVKDONJSA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC001588855981	984395614	/nfs/dbraw/zinc/39/56/14/984395614.db2.gz	SYPGGVZQIIJRGA-SKDRFNHKSA-N	-1	0	309.366	0.912	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC001588855980	984395795	/nfs/dbraw/zinc/39/57/95/984395795.db2.gz	SYPGGVZQIIJRGA-JOYOIKCWSA-N	-1	0	309.366	0.912	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c2c(ccc1F)OCO2)C(=O)[O-]	ZINC001588856400	984399733	/nfs/dbraw/zinc/39/97/33/984399733.db2.gz	IDCDSGCLADXYLG-SECBINFHSA-N	-1	0	311.265	0.940	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c2c(ccc1F)OCO2)C(=O)[O-]	ZINC001588856402	984399827	/nfs/dbraw/zinc/39/98/27/984399827.db2.gz	IDCDSGCLADXYLG-VIFPVBQESA-N	-1	0	311.265	0.940	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)C(=O)[O-]	ZINC001588856819	984402056	/nfs/dbraw/zinc/40/20/56/984402056.db2.gz	QQWNYNNQMQPXIL-NSHDSACASA-N	-1	0	309.322	0.114	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(=O)[O-])oc1C)C(=O)OC	ZINC001588859647	984407033	/nfs/dbraw/zinc/40/70/33/984407033.db2.gz	RYGRKPLZNFCTPZ-JTQLQIEISA-N	-1	0	311.290	0.760	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1csc(-c2ncc[nH]2)n1)C(=O)[O-]	ZINC001588860240	984411702	/nfs/dbraw/zinc/41/17/02/984411702.db2.gz	NIBUWJOFDIYYLC-QMMMGPOBSA-N	-1	0	322.346	0.919	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnc([C@@H](C)O)s1)C(=O)[O-]	ZINC001588860225	984411727	/nfs/dbraw/zinc/41/17/27/984411727.db2.gz	MQTJRPUMBIXUAU-SFYZADRCSA-N	-1	0	300.336	0.582	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc(OC)c1[N+](=O)[O-])C(=O)[O-]	ZINC001588861236	984414514	/nfs/dbraw/zinc/41/45/14/984414514.db2.gz	DCQPQHQJJQHAHL-JTQLQIEISA-N	-1	0	324.289	0.989	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(N(C)C)c(C=O)c1)C(=O)[O-]	ZINC001588861852	984416953	/nfs/dbraw/zinc/41/69/53/984416953.db2.gz	NLGUWVPUBAZGTP-ZDUSSCGKSA-N	-1	0	320.345	0.951	20	30		DCEDRM
C=CCOCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588868991	984437200	/nfs/dbraw/zinc/43/72/00/984437200.db2.gz	JOOJORCYGVYMPQ-XJFOESAGSA-N	-1	0	308.378	0.585	20	30		DCEDRM
C=CCn1c([C@@H](CC)CO)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC001588895981	984497883	/nfs/dbraw/zinc/49/78/83/984497883.db2.gz	PEQFZNMQFCHAJD-GRYCIOLGSA-N	-1	0	324.381	0.628	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(NC(C)=O)cc(NC(C)=O)c1	ZINC001524678022	1015039557	/nfs/dbraw/zinc/03/95/57/1015039557.db2.gz	VWPXDLFLPQTVCD-ZDUSSCGKSA-N	-1	0	316.317	0.672	20	30		DCEDRM
C=CCn1c(Cc2cnn(C)c2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588904635	984531333	/nfs/dbraw/zinc/53/13/33/984531333.db2.gz	YGRYAVSCZFDESP-LBPRGKRZSA-N	-1	0	316.365	0.699	20	30		DCEDRM
C=CCn1c(N2CCO[C@@H](CC(=O)[O-])C2)nnc1[C@@](C)(O)CC	ZINC001588905127	984535500	/nfs/dbraw/zinc/53/55/00/984535500.db2.gz	QLFNZEGRKYVWLI-NHYWBVRUSA-N	-1	0	324.381	0.762	20	30		DCEDRM
C=CCn1cc(C(=O)NCCc2ncc(C(=O)[O-])s2)nn1	ZINC001588910101	984547287	/nfs/dbraw/zinc/54/72/87/984547287.db2.gz	LAPMZLZYLPDROQ-UHFFFAOYSA-N	-1	0	307.335	0.591	20	30		DCEDRM
C=CCn1nnnc1N1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21	ZINC001588913141	984554369	/nfs/dbraw/zinc/55/43/69/984554369.db2.gz	ZQSFGWVQHXSORQ-NSHDSACASA-N	-1	0	305.269	0.982	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001588916836	984564146	/nfs/dbraw/zinc/56/41/46/984564146.db2.gz	HBWOGPOPVORWAU-WYUUTHIRSA-N	-1	0	311.334	0.442	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1	ZINC001588919375	984571631	/nfs/dbraw/zinc/57/16/31/984571631.db2.gz	JKDIWMFRMFGYAS-SECBINFHSA-N	-1	0	303.311	0.278	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C[C@]1(C)C(=O)[O-]	ZINC001599910088	984974206	/nfs/dbraw/zinc/97/42/06/984974206.db2.gz	ITWDJQNZDVHSJD-RWSFTLGLSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001599928126	985244872	/nfs/dbraw/zinc/24/48/72/985244872.db2.gz	UOKKKTJIDGGMDA-FZMZJTMJSA-N	-1	0	317.345	0.348	20	30		DCEDRM
C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CC[N@@H+]1CCC(=O)[O-]	ZINC001594492518	985603099	/nfs/dbraw/zinc/60/30/99/985603099.db2.gz	CCKCSOLMQFTHOF-NSHDSACASA-N	-1	0	317.345	0.885	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1C	ZINC001589328632	986159131	/nfs/dbraw/zinc/15/91/31/986159131.db2.gz	FGMHXOWRCVAAAM-FXPVBKGRSA-N	-1	0	303.322	0.275	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@@H]1CNc1ccnc(C(=O)[O-])n1	ZINC001589329202	986162677	/nfs/dbraw/zinc/16/26/77/986162677.db2.gz	LJTHOOXCGJUGIK-NXEZZACHSA-N	-1	0	303.322	0.159	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1C	ZINC001589329654	986165780	/nfs/dbraw/zinc/16/57/80/986165780.db2.gz	RKFWSJIXJARFIX-HBNTYKKESA-N	-1	0	317.349	0.523	20	30		DCEDRM
CCOc1cnc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001597185846	987053324	/nfs/dbraw/zinc/05/33/24/987053324.db2.gz	HEEKKFIYZICPFP-UHFFFAOYSA-N	-1	0	304.306	0.706	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001589685378	987726225	/nfs/dbraw/zinc/72/62/25/987726225.db2.gz	ZAKSKMXPGNFBDU-WHOHXGKFSA-N	-1	0	306.362	0.520	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N1CCN(c2nc(C(=O)[O-])cs2)CC1	ZINC001526758255	1015332847	/nfs/dbraw/zinc/33/28/47/1015332847.db2.gz	LPRIQCMCOODQIL-JTQLQIEISA-N	-1	0	323.374	0.528	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC(=NOCC(N)=O)C[C@H](C(=O)[O-])C1	ZINC001589910144	988643816	/nfs/dbraw/zinc/64/38/16/988643816.db2.gz	WLBMJEJLLMXETQ-QMMMGPOBSA-N	-1	0	315.326	0.186	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001389533313	989369187	/nfs/dbraw/zinc/36/91/87/989369187.db2.gz	WLRNBJRKHGMWAA-ZJUUUORDSA-N	-1	0	304.354	0.141	20	30		DCEDRM
CC(C)C(=O)N1CCCC[C@@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001590933650	990949937	/nfs/dbraw/zinc/94/99/37/990949937.db2.gz	PTSOHDYKXIQQSP-GFCCVEGCSA-N	-1	0	309.366	0.850	20	30		DCEDRM
CC(C)C[C@@](C)(C#N)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001591124666	991817142	/nfs/dbraw/zinc/81/71/42/991817142.db2.gz	XRPRRAVUKHZVIU-NHYWBVRUSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)c1cc(CC(=O)[O-])ccn1	ZINC001598485847	992205981	/nfs/dbraw/zinc/20/59/81/992205981.db2.gz	VYUWOJFZLDKGDL-UHFFFAOYSA-N	-1	0	314.349	0.955	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@](OC)(C(=O)[O-])C1	ZINC001598714519	995389157	/nfs/dbraw/zinc/38/91/57/995389157.db2.gz	WAFBRGOXFJRWNQ-CZUORRHYSA-N	-1	0	318.329	0.948	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1	ZINC001598716978	995422280	/nfs/dbraw/zinc/42/22/80/995422280.db2.gz	XIODBWWFFRZSNM-GMTAPVOTSA-N	-1	0	324.333	0.170	20	30		DCEDRM
C[C@@H](OC(=O)CCc1ccc(C#N)cc1)C(=O)NCC(=O)[O-]	ZINC001593526384	995567483	/nfs/dbraw/zinc/56/74/83/995567483.db2.gz	VPZOHPMKDBYZPC-SNVBAGLBSA-N	-1	0	304.302	0.623	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(C#N)ccn2)C1	ZINC001598771389	995886164	/nfs/dbraw/zinc/88/61/64/995886164.db2.gz	IVNSNPZSDOBKMV-ZYHUDNBSSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2ccsc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598821683	996335131	/nfs/dbraw/zinc/33/51/31/996335131.db2.gz	LMAAXBBKAJSNJU-IUCAKERBSA-N	-1	0	308.315	0.566	20	30		DCEDRM
C[C@]1(C#N)CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CCO1	ZINC001593743623	996369793	/nfs/dbraw/zinc/36/97/93/996369793.db2.gz	WSTIISAPNPALSV-HNNXBMFYSA-N	-1	0	303.318	0.938	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC001598825914	996381686	/nfs/dbraw/zinc/38/16/86/996381686.db2.gz	GFUGKYWNSRDUIN-VHSXEESVSA-N	-1	0	319.273	0.776	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)Cc1ccccc1CC#N	ZINC001598859923	996666158	/nfs/dbraw/zinc/66/61/58/996666158.db2.gz	AJRSUBPATOINEV-UHFFFAOYSA-N	-1	0	304.302	0.381	20	30		DCEDRM
CC[C@@H](CC#N)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001466683498	1016099440	/nfs/dbraw/zinc/09/94/40/1016099440.db2.gz	SMIPJCHTYUCEDY-JTQLQIEISA-N	-1	0	301.306	0.688	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ncc(C#N)cc1C	ZINC001599192621	997151157	/nfs/dbraw/zinc/15/11/57/997151157.db2.gz	QQWQZIDFYZVPRB-OAHLLOKOSA-N	-1	0	303.318	0.968	20	30		DCEDRM
COc1cc(CCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)on1	ZINC001599402453	997237993	/nfs/dbraw/zinc/23/79/93/997237993.db2.gz	NYVXODZMJOFJSK-UHFFFAOYSA-N	-1	0	307.306	0.833	20	30		DCEDRM
C[C@]1(O)CCCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001594067122	997891172	/nfs/dbraw/zinc/89/11/72/997891172.db2.gz	ZAPTUAFLQFXDRA-AWEZNQCLSA-N	-1	0	324.358	0.792	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001599349272	998065871	/nfs/dbraw/zinc/06/58/71/998065871.db2.gz	MFWKMOKQJRPCLE-WCQYABFASA-N	-1	0	304.302	0.617	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1ccsc1C#N	ZINC001599150817	998294415	/nfs/dbraw/zinc/29/44/15/998294415.db2.gz	GKSMISLJAJRSSC-LLVKDONJSA-N	-1	0	318.376	0.778	20	30		DCEDRM
COC[C@](C)(NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC001599155530	998365404	/nfs/dbraw/zinc/36/54/04/998365404.db2.gz	VTRVKNRAXDILIK-LBPRGKRZSA-N	-1	0	318.395	0.870	20	30		DCEDRM
COc1ccc(CNS(=O)(=O)C2(C(=O)[O-])CCC2)cc1C#N	ZINC001599572838	998393272	/nfs/dbraw/zinc/39/32/72/998393272.db2.gz	KBHUOVFWJDUHKX-UHFFFAOYSA-N	-1	0	324.358	0.994	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CC#N	ZINC001598969732	998491635	/nfs/dbraw/zinc/49/16/35/998491635.db2.gz	XWAPVBFTOQFFCQ-UHFFFAOYSA-N	-1	0	312.303	0.315	20	30		DCEDRM
COC(=O)c1ccc(/C=C\C(=O)N(CC#N)CCC(=O)[O-])o1	ZINC001598974628	998581012	/nfs/dbraw/zinc/58/10/12/998581012.db2.gz	UAXVJUKWMWQDRW-HYXAFXHYSA-N	-1	0	306.274	0.906	20	30		DCEDRM
COC(=O)c1cccc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)c1C#N	ZINC001598996540	998785201	/nfs/dbraw/zinc/78/52/01/998785201.db2.gz	UYXGSFYNPYEMPE-NEPJUHHUSA-N	-1	0	318.329	0.612	20	30		DCEDRM
COC(=O)c1cccc(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])c1C#N	ZINC001598996594	998785690	/nfs/dbraw/zinc/78/56/90/998785690.db2.gz	WEFFRZJYJNODAD-UONOGXRCSA-N	-1	0	318.329	0.755	20	30		DCEDRM
CC[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H](CC)O1	ZINC001469192909	1016319936	/nfs/dbraw/zinc/31/99/36/1016319936.db2.gz	ARDCWWDZWCBRQW-TXEJJXNPSA-N	-1	0	320.349	0.237	20	30		DCEDRM
C[C@@H]1CCN(c2ccc(C(=O)[O-])nc2C#N)CCS1(=O)=O	ZINC001594434281	999612802	/nfs/dbraw/zinc/61/28/02/999612802.db2.gz	KXWRSLQLKDROHX-SECBINFHSA-N	-1	0	309.347	0.665	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc(C(F)F)o2)c(=O)[n-]c1=O	ZINC001418536732	1000323810	/nfs/dbraw/zinc/32/38/10/1000323810.db2.gz	RQJLCZJKYLUMBV-UHFFFAOYSA-N	-1	0	324.243	0.781	20	30		DCEDRM
CCc1occc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001470360401	1016426815	/nfs/dbraw/zinc/42/68/15/1016426815.db2.gz	HKUFVIFPRGDWIX-UHFFFAOYSA-N	-1	0	302.290	0.406	20	30		DCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)n1ncc(C#N)c1N	ZINC001470611959	1016461817	/nfs/dbraw/zinc/46/18/17/1016461817.db2.gz	MEYSUKHVLVGCOH-ZETCQYMHSA-N	-1	0	303.244	0.680	20	30		DCEDRM
CCN1C[C@@H](S(=O)(=O)[N-]c2cccc(CC#N)n2)CC1=O	ZINC001424742301	1001968178	/nfs/dbraw/zinc/96/81/78/1001968178.db2.gz	IHLNZFQZGXMVRR-NSHDSACASA-N	-1	0	308.363	0.510	20	30		DCEDRM
N#Cc1ccc([C@H]2CN(C(=O)CCc3nnn[n-]3)CCO2)cc1	ZINC001420293615	1002177865	/nfs/dbraw/zinc/17/78/65/1002177865.db2.gz	ZVCCMWYMRAQJDJ-CYBMUJFWSA-N	-1	0	312.333	0.604	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2C[C@@H]2C2CCCC2)c(=O)[n-]c1=O	ZINC001420697498	1002814427	/nfs/dbraw/zinc/81/44/27/1002814427.db2.gz	WRVVACCASIMAFM-WCQYABFASA-N	-1	0	316.361	0.763	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CCN(c3ccccn3)C2)c(C#N)c1=O	ZINC001472733812	1016853085	/nfs/dbraw/zinc/85/30/85/1016853085.db2.gz	DUQQWTZSHUFGKI-SNVBAGLBSA-N	-1	0	312.333	0.031	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](CO)CC2CCCCC2)c(C#N)c1=O	ZINC001472811778	1016853924	/nfs/dbraw/zinc/85/39/24/1016853924.db2.gz	PFDGUPINVFMXLZ-NSHDSACASA-N	-1	0	306.366	0.688	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001429455499	1004609246	/nfs/dbraw/zinc/60/92/46/1004609246.db2.gz	UKYVCDVGMASIFH-QMMMGPOBSA-N	-1	0	317.305	0.276	20	30		DCEDRM
COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[C@H](c2nn[nH]n2)C1	ZINC001473753263	1016963417	/nfs/dbraw/zinc/96/34/17/1016963417.db2.gz	VFIGPEZJTCNFEC-STQMWFEESA-N	-1	0	312.333	0.775	20	30		DCEDRM
COC[C@](C)(CC(=O)OC)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417655944	1005861691	/nfs/dbraw/zinc/86/16/91/1005861691.db2.gz	PCWFHKGMUTWOOX-HNNXBMFYSA-N	-1	0	321.333	0.665	20	30		DCEDRM
CC(=O)N1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)[C@@H](C)C1	ZINC001417668930	1005863775	/nfs/dbraw/zinc/86/37/75/1005863775.db2.gz	LRUAUZOONXGJJD-JTQLQIEISA-N	-1	0	302.334	0.660	20	30		DCEDRM
C[C@@H](CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)C	ZINC001434838376	1006028867	/nfs/dbraw/zinc/02/88/67/1006028867.db2.gz	UIULPAVRARFGMD-JTQLQIEISA-N	-1	0	321.381	0.802	20	30		DCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)C(F)(F)c1ccccc1C#N	ZINC001418187452	1006143031	/nfs/dbraw/zinc/14/30/31/1006143031.db2.gz	CBSDSJQWRZJFOC-UHFFFAOYSA-N	-1	0	308.244	0.985	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCCc2ccco2)c(=O)[n-]c1=O	ZINC001454058260	1008885598	/nfs/dbraw/zinc/88/55/98/1008885598.db2.gz	AODYLSCPPIRDCI-UHFFFAOYSA-N	-1	0	316.317	0.553	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)c1cnn(C)c1	ZINC001433871124	1009286467	/nfs/dbraw/zinc/28/64/67/1009286467.db2.gz	SCBAHRFQQAXYRM-LLVKDONJSA-N	-1	0	301.306	0.164	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)CC2	ZINC001433875036	1009290824	/nfs/dbraw/zinc/29/08/24/1009290824.db2.gz	GFSABLNKGCIUCR-UHFFFAOYSA-N	-1	0	321.296	0.282	20	30		DCEDRM
CCC(CC)(CO)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001433875297	1009291103	/nfs/dbraw/zinc/29/11/03/1009291103.db2.gz	JHCYAUIIAVFHOP-UHFFFAOYSA-N	-1	0	322.365	0.126	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@H](C(=O)C2CC2)C1	ZINC001433956496	1009398034	/nfs/dbraw/zinc/39/80/34/1009398034.db2.gz	CURLCIKQTSLYBT-LBPRGKRZSA-N	-1	0	315.329	0.787	20	30		DCEDRM
CO[C@@](C)([C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001434084837	1009540580	/nfs/dbraw/zinc/54/05/80/1009540580.db2.gz	ZJBRBGOMCMTPFO-PSLIRLAXSA-N	-1	0	320.349	0.140	20	30		DCEDRM
C[C@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)CC(F)F	ZINC001434120722	1009587102	/nfs/dbraw/zinc/58/71/02/1009587102.db2.gz	WFNLWVWSMMYBIC-QMMMGPOBSA-N	-1	0	314.292	0.618	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc(F)cc2F)c(=O)[n-]c1=O	ZINC001434207838	1009663086	/nfs/dbraw/zinc/66/30/86/1009663086.db2.gz	NOYBDYIGJHQMAA-UHFFFAOYSA-N	-1	0	320.255	0.529	20	30		DCEDRM
COC[C@H](NC(=O)Cc1ccc(OCC#N)cc1)c1nnn[n-]1	ZINC001455728555	1009934188	/nfs/dbraw/zinc/93/41/88/1009934188.db2.gz	ILUAGPOLMFCYBQ-LBPRGKRZSA-N	-1	0	316.321	0.148	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CCCC3(CC3)C2)c(=O)[n-]c1=O	ZINC001456273657	1010163117	/nfs/dbraw/zinc/16/31/17/1010163117.db2.gz	AHKKHOYOBHRUPD-LLVKDONJSA-N	-1	0	302.334	0.660	20	30		DCEDRM
Cc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cnc1Cl	ZINC001445219756	1011538827	/nfs/dbraw/zinc/53/88/27/1011538827.db2.gz	UECOONAKCDETRW-UHFFFAOYSA-N	-1	0	319.708	0.816	20	30		DCEDRM
C[C@@H](NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O)c1ccc(F)cc1	ZINC001459134242	1012587856	/nfs/dbraw/zinc/58/78/56/1012587856.db2.gz	BQWWDHCTURPBHB-SECBINFHSA-N	-1	0	316.292	0.425	20	30		DCEDRM
C#C[C@@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC2CC2)C1	ZINC001521042332	1017327335	/nfs/dbraw/zinc/32/73/35/1017327335.db2.gz	YYPXAFJYMZUCOK-LLVKDONJSA-N	-1	0	312.377	0.762	20	30		DCEDRM
COCC#CCN1CC([C@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001506605196	1017398440	/nfs/dbraw/zinc/39/84/40/1017398440.db2.gz	AWOMVTQSNPBHCK-JTQLQIEISA-N	-1	0	306.366	0.124	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@]2(C)C=CCC2)n1	ZINC001479607606	1017601289	/nfs/dbraw/zinc/60/12/89/1017601289.db2.gz	WOCPRGDWAZJVNJ-INIZCTEOSA-N	-1	0	300.362	0.878	20	30		DCEDRM
C=CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001496688967	1019532196	/nfs/dbraw/zinc/53/21/96/1019532196.db2.gz	LDXVDACMGITHIG-NSHDSACASA-N	-1	0	323.397	0.118	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)CSCC#N)C2)c1[O-]	ZINC001493844289	1019753790	/nfs/dbraw/zinc/75/37/90/1019753790.db2.gz	IWFYOPNUMUTVME-VIFPVBQESA-N	-1	0	323.378	0.011	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)s2)C[C@@H]1C(=O)[O-]	ZINC001606419829	1170193204	/nfs/dbraw/zinc/19/32/04/1170193204.db2.gz	GBTARFFVHQGNKF-IUCAKERBSA-N	-1	0	308.315	0.566	20	30		DCEDRM
NS(=O)(=O)c1ccc(N=NC2CCC[C@H](C(=O)[O-])C2)nc1	ZINC001608262530	1170636029	/nfs/dbraw/zinc/63/60/29/1170636029.db2.gz	FBGMWJMSGBTYHW-QMMMGPOBSA-N	-1	0	312.351	0.772	20	30		DCEDRM
N#Cc1c(F)cccc1N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000092616738	185329254	/nfs/dbraw/zinc/32/92/54/185329254.db2.gz	DJZNXLVDHITHLP-UHFFFAOYSA-N	-1	0	302.313	0.431	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC(CC(N)=O)C2)cc1C#N	ZINC001645752685	1172124335	/nfs/dbraw/zinc/12/43/35/1172124335.db2.gz	UWWZSHXXHRHVEE-UHFFFAOYSA-N	-1	0	306.347	0.328	20	30		DCEDRM
N#C[C@@H]1COCCN1C(=O)CSc1n[n-]c(=S)s1	ZINC000268143687	238245009	/nfs/dbraw/zinc/24/50/09/238245009.db2.gz	VTVJGKBZQFCXIR-ZCFIWIBFSA-N	-1	0	302.406	0.670	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000273828764	238290427	/nfs/dbraw/zinc/29/04/27/238290427.db2.gz	WBNGUSQYJSSGGL-GFCCVEGCSA-N	-1	0	324.358	0.617	20	30		DCEDRM
N#CC1(NC(=O)CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CCC1	ZINC000377580654	239240574	/nfs/dbraw/zinc/24/05/74/239240574.db2.gz	CMPMJFGJLVCQLF-SNVBAGLBSA-N	-1	0	304.354	0.252	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000422694830	240178898	/nfs/dbraw/zinc/17/88/98/240178898.db2.gz	YERKXRAVIPYAPO-SECBINFHSA-N	-1	0	303.318	0.984	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000422694153	240179960	/nfs/dbraw/zinc/17/99/60/240179960.db2.gz	WWWXIGREQMJDSY-JTQLQIEISA-N	-1	0	303.318	0.984	20	30		DCEDRM
CC(C)C[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000424393403	240259792	/nfs/dbraw/zinc/25/97/92/240259792.db2.gz	RNYMDFSLEVPURV-QWRGUYRKSA-N	-1	0	305.400	0.802	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000275018859	212076104	/nfs/dbraw/zinc/07/61/04/212076104.db2.gz	OKXKZYHZSSYKDN-GFCCVEGCSA-N	-1	0	310.331	0.659	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-]	ZINC000274914630	212030416	/nfs/dbraw/zinc/03/04/16/212030416.db2.gz	LIXCXMVTSWBCSK-GXSJLCMTSA-N	-1	0	315.351	0.152	20	30		DCEDRM
COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C#N)o2)cn1	ZINC000340847329	253313247	/nfs/dbraw/zinc/31/32/47/253313247.db2.gz	LFOMOFUAIDHJDC-UHFFFAOYSA-N	-1	0	310.291	0.322	20	30		DCEDRM
Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cccnc2C#N)n1	ZINC000284111433	131050292	/nfs/dbraw/zinc/05/02/92/131050292.db2.gz	BVFHQOBFISLWOL-UHFFFAOYSA-N	-1	0	307.335	0.858	20	30		DCEDRM
CCC[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(N)=O	ZINC000285357483	131160511	/nfs/dbraw/zinc/16/05/11/131160511.db2.gz	LSMNSFDUPYAFFJ-JTQLQIEISA-N	-1	0	317.317	0.769	20	30		DCEDRM
N#Cc1ccnc(N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1[N+](=O)[O-]	ZINC000285576116	131182727	/nfs/dbraw/zinc/18/27/27/131182727.db2.gz	KEYQVXLECSHKIF-SECBINFHSA-N	-1	0	315.293	0.657	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000085855883	395702214	/nfs/dbraw/zinc/70/22/14/395702214.db2.gz	XEXZSMKFQSQKLN-ZDUSSCGKSA-N	-1	0	310.331	0.221	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000088376963	395707489	/nfs/dbraw/zinc/70/74/89/395707489.db2.gz	JAMYMFCMUXZGKL-LBPRGKRZSA-N	-1	0	310.331	0.173	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000043703071	395754200	/nfs/dbraw/zinc/75/42/00/395754200.db2.gz	XVXQRPOFNPIONU-LBPRGKRZSA-N	-1	0	310.331	0.173	20	30		DCEDRM
C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)[N-]S(C)(=O)=O)C2=O	ZINC000048479511	395815667	/nfs/dbraw/zinc/81/56/67/395815667.db2.gz	RMXIDGLXSAIXMF-PRHODGIISA-N	-1	0	317.367	0.403	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000071228154	396110790	/nfs/dbraw/zinc/11/07/90/396110790.db2.gz	XJELSABFYMCWSZ-UHFFFAOYSA-N	-1	0	312.347	0.936	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1ccc(C#N)cc1)[C@@H](C)C(=O)[O-]	ZINC000581429529	396554025	/nfs/dbraw/zinc/55/40/25/396554025.db2.gz	PIVNACDMDKHGQS-JTQLQIEISA-N	-1	0	303.318	0.610	20	30		DCEDRM
C[C@H](O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000581710577	396576881	/nfs/dbraw/zinc/57/68/81/396576881.db2.gz	IAKNUABFJAPBPO-QUBYGPBYSA-N	-1	0	318.738	0.324	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-]	ZINC000581946811	396596043	/nfs/dbraw/zinc/59/60/43/396596043.db2.gz	DDTGQCDKKHPAES-KOLCDFICSA-N	-1	0	315.351	0.344	20	30		DCEDRM
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[N-]OCC1CC1	ZINC000293680865	396624937	/nfs/dbraw/zinc/62/49/37/396624937.db2.gz	BCAUXYWJXPVLNZ-SNVBAGLBSA-N	-1	0	323.374	0.683	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)n1	ZINC000589330437	396713020	/nfs/dbraw/zinc/71/30/20/396713020.db2.gz	JCTJLSOOHLVHOU-CYBMUJFWSA-N	-1	0	305.301	0.986	20	30		DCEDRM
C=CCOCC[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000311991670	396761522	/nfs/dbraw/zinc/76/15/22/396761522.db2.gz	VUWKDAIHXJTVBO-UHFFFAOYSA-N	-1	0	306.365	0.411	20	30		DCEDRM
CO[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)[C@](C)(C(=O)[O-])C1	ZINC000600661707	396908620	/nfs/dbraw/zinc/90/86/20/396908620.db2.gz	YHLVMVOFBQMNAH-PWSUYJOCSA-N	-1	0	316.379	0.574	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)NCCCC2CCCCC2)c1=O	ZINC000564962449	396912474	/nfs/dbraw/zinc/91/24/74/396912474.db2.gz	FGJMXQJTPZJZMJ-UHFFFAOYSA-N	-1	0	318.377	0.885	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C1	ZINC000591569768	396930634	/nfs/dbraw/zinc/93/06/34/396930634.db2.gz	FGZZSWJZOAYLOK-RULNRJAQSA-N	-1	0	311.313	0.020	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CSCN1C(=O)CC)C(=O)[O-]	ZINC000630326668	396984634	/nfs/dbraw/zinc/98/46/34/396984634.db2.gz	RSWIEFDRQBEGHM-VHSXEESVSA-N	-1	0	300.380	0.834	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC000630254298	396972587	/nfs/dbraw/zinc/97/25/87/396972587.db2.gz	PZEWFYNDKXMSMO-HNNXBMFYSA-N	-1	0	306.318	0.962	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)[C@@H]1CCC[C@H]1OC)C(=O)OC	ZINC000601407686	397105145	/nfs/dbraw/zinc/10/51/45/397105145.db2.gz	BBGGFBQDUPWEQS-IJLUTSLNSA-N	-1	0	321.395	0.218	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1	ZINC000597803344	397105935	/nfs/dbraw/zinc/10/59/35/397105935.db2.gz	XCLNXMQKBLLLSL-OAHLLOKOSA-N	-1	0	314.301	0.521	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C[C@@H]1C(=O)[O-]	ZINC000592427904	397173630	/nfs/dbraw/zinc/17/36/30/397173630.db2.gz	XCFLWPKXOWRNBQ-BFVZDQMLSA-N	-1	0	311.313	0.020	20	30		DCEDRM
C[C@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)C[C@@H]1C(=O)[O-]	ZINC000592457551	397182793	/nfs/dbraw/zinc/18/27/93/397182793.db2.gz	KLUOMSAYIRYSPI-CABZTGNLSA-N	-1	0	309.347	0.685	20	30		DCEDRM
C[C@H](C1CC1)N(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC000602060738	397292729	/nfs/dbraw/zinc/29/27/29/397292729.db2.gz	ZJIVVFWFZPUFTA-SECBINFHSA-N	-1	0	302.334	0.610	20	30		DCEDRM
CN(CC(F)(F)F)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602082504	397296307	/nfs/dbraw/zinc/29/63/07/397296307.db2.gz	FNLDPKXFLDZEIB-UHFFFAOYSA-N	-1	0	304.228	0.231	20	30		DCEDRM
N#Cc1cn(CCC(=O)N(CC2CC2)CC2CC2)c(=O)[n-]c1=O	ZINC000602102040	397300653	/nfs/dbraw/zinc/30/06/53/397300653.db2.gz	IHSYXDGEBRCWHY-UHFFFAOYSA-N	-1	0	316.361	0.859	20	30		DCEDRM
CC[C@H]1C[C@@H](C)CN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602103304	397300877	/nfs/dbraw/zinc/30/08/77/397300877.db2.gz	AXFVKJDCCJGHDO-PWSUYJOCSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CCC[C@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602115876	397307363	/nfs/dbraw/zinc/30/73/63/397307363.db2.gz	AIEWOBZACXNYJA-NSHDSACASA-N	-1	0	304.350	0.859	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-]	ZINC000593222142	397339515	/nfs/dbraw/zinc/33/95/15/397339515.db2.gz	JZIMAMRDXCQICZ-DCAQKATOSA-N	-1	0	303.384	0.650	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CC3(C2)CCCC3)c(=O)[n-]c1=O	ZINC000602140905	397318739	/nfs/dbraw/zinc/31/87/39/397318739.db2.gz	QZSQVBDUXGBKAT-UHFFFAOYSA-N	-1	0	302.334	0.613	20	30		DCEDRM
N#Cc1cn(CC(=O)N(CC2CC2)C2CCC2)c(=O)[n-]c1=O	ZINC000602144573	397320204	/nfs/dbraw/zinc/32/02/04/397320204.db2.gz	XJHOOHUJXLYYPE-UHFFFAOYSA-N	-1	0	302.334	0.612	20	30		DCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC(C)(C)C1	ZINC000602162057	397328258	/nfs/dbraw/zinc/32/82/58/397328258.db2.gz	KKTHEWRTHNWGJE-UHFFFAOYSA-N	-1	0	304.350	0.858	20	30		DCEDRM
C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602163525	397328319	/nfs/dbraw/zinc/32/83/19/397328319.db2.gz	JNZRXQPBUJUXGB-OUAUKWLOSA-N	-1	0	304.350	0.714	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C	ZINC000578074290	397387524	/nfs/dbraw/zinc/38/75/24/397387524.db2.gz	OSQXPMKNNFACTJ-ZJUUUORDSA-N	-1	0	305.400	0.944	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@]1(C)C(=O)[O-]	ZINC000578631875	397463947	/nfs/dbraw/zinc/46/39/47/397463947.db2.gz	DHIQPKRKBRUTQL-CMPLNLGQSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(CC(=O)[O-])C1CCC1	ZINC000593945633	397484943	/nfs/dbraw/zinc/48/49/43/397484943.db2.gz	USQQSWVJHGAZRU-SNVBAGLBSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C	ZINC000578897562	397500827	/nfs/dbraw/zinc/50/08/27/397500827.db2.gz	BDCKVOTYWWUZAQ-UWVGGRQHSA-N	-1	0	305.400	0.802	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)OCC)CC1	ZINC000494591597	397531549	/nfs/dbraw/zinc/53/15/49/397531549.db2.gz	XUSBXTXGUSCPCD-UHFFFAOYSA-N	-1	0	304.368	0.487	20	30		DCEDRM
N#Cc1cn(CCNC(=O)COc2ccccc2)c(=O)[n-]c1=O	ZINC000603918572	397628368	/nfs/dbraw/zinc/62/83/68/397628368.db2.gz	BTUBFDDPBPAKRW-UHFFFAOYSA-N	-1	0	314.301	0.016	20	30		DCEDRM
COC[C@@](C)(NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000262208459	158785589	/nfs/dbraw/zinc/78/55/89/158785589.db2.gz	LGEUEFWNVQBHMY-MEBBXXQBSA-N	-1	0	306.318	0.931	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC(=O)N(C3CC3)C2)cc1C#N	ZINC000329826313	159121766	/nfs/dbraw/zinc/12/17/66/159121766.db2.gz	CHEDCWMKWSFQJU-UHFFFAOYSA-N	-1	0	318.358	0.785	20	30		DCEDRM
CCOC(=O)Cc1nnc([N-]C(=O)c2ccc(C#N)o2)s1	ZINC000343540478	415630109	/nfs/dbraw/zinc/63/01/09/415630109.db2.gz	KPTFRBCLKROOEO-UHFFFAOYSA-N	-1	0	306.303	1.361	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1	ZINC000291022807	415829238	/nfs/dbraw/zinc/82/92/38/415829238.db2.gz	AMOAJUUXLGPRNM-SNVBAGLBSA-N	-1	0	314.388	0.582	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1	ZINC000355865952	415870365	/nfs/dbraw/zinc/87/03/65/415870365.db2.gz	JDHRBVNMBRVKBG-UHFFFAOYSA-N	-1	0	319.346	0.235	20	30		DCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000133434573	415946562	/nfs/dbraw/zinc/94/65/62/415946562.db2.gz	SHWSHTQAXIUXHO-UHFFFAOYSA-N	-1	0	308.367	0.948	20	30		DCEDRM
C=CCCOCCCCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000344809669	415991566	/nfs/dbraw/zinc/99/15/66/415991566.db2.gz	ITEMJINJCFPQAE-UHFFFAOYSA-N	-1	0	316.383	0.910	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1	ZINC000132746466	415935112	/nfs/dbraw/zinc/93/51/12/415935112.db2.gz	WJRGYTCWJGBUED-NSHDSACASA-N	-1	0	316.423	0.903	20	30		DCEDRM
COC(=O)c1ccncc1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000357385315	416070926	/nfs/dbraw/zinc/07/09/26/416070926.db2.gz	JCVOBWKORKKHQB-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C=C(C)COCCNS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000163485024	416015134	/nfs/dbraw/zinc/01/51/34/416015134.db2.gz	VRPGLBBPXDNMJX-UHFFFAOYSA-N	-1	0	306.365	0.712	20	30		DCEDRM
COC(=O)CCc1nnc([N-]C(=O)c2ccc(C#N)o2)s1	ZINC000340539220	416189637	/nfs/dbraw/zinc/18/96/37/416189637.db2.gz	UADFDBHHERYCMW-UHFFFAOYSA-N	-1	0	306.303	1.361	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1	ZINC000358510451	416246738	/nfs/dbraw/zinc/24/67/38/416246738.db2.gz	GAPUMICMPSKQAF-SECBINFHSA-N	-1	0	308.323	0.240	20	30		DCEDRM
N#CCCCOc1cccnc1NC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000341943896	416256240	/nfs/dbraw/zinc/25/62/40/416256240.db2.gz	FQBGMMUHAUISTE-UHFFFAOYSA-N	-1	0	317.309	0.910	20	30		DCEDRM
CC[C@@](COC)([N-]S(=O)(=O)CC1(CC#N)CC1)C(=O)OC	ZINC000416515076	416373841	/nfs/dbraw/zinc/37/38/41/416373841.db2.gz	KMUGHBUEGZWBDU-ZDUSSCGKSA-N	-1	0	318.395	0.568	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2ccc(C#N)cn2)C1=O	ZINC000416445665	416369770	/nfs/dbraw/zinc/36/97/70/416369770.db2.gz	MIJRZYDLZLNOAX-WCQYABFASA-N	-1	0	302.334	1.075	20	30		DCEDRM
Cc1ccc(N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)nc1C#N	ZINC000416449847	416370152	/nfs/dbraw/zinc/37/01/52/416370152.db2.gz	WMKYOAFSSDSGJT-SMDDNHRTSA-N	-1	0	316.361	1.384	20	30		DCEDRM
COCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cn2)c1C	ZINC000361533041	416445070	/nfs/dbraw/zinc/44/50/70/416445070.db2.gz	JYGOPMABYUMDFG-UHFFFAOYSA-N	-1	0	321.362	1.171	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000422657496	416445325	/nfs/dbraw/zinc/44/53/25/416445325.db2.gz	LJLCGRGPKMMSJW-UHFFFAOYSA-N	-1	0	319.317	0.829	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)NCCCC(=O)[O-])n1	ZINC000491676463	416613712	/nfs/dbraw/zinc/61/37/12/416613712.db2.gz	WOEHYDFQOKCZLC-UHFFFAOYSA-N	-1	0	322.365	0.539	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)Nc1n[nH]c2cc(C#N)c(C)cc21	ZINC000595999096	416574990	/nfs/dbraw/zinc/57/49/90/416574990.db2.gz	JRQGMZMDQPMFDJ-CQSZACIVSA-N	-1	0	302.290	1.171	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CC[C@@](COC)(C(=O)[O-])C2)nn1	ZINC000425240450	416688888	/nfs/dbraw/zinc/68/88/88/416688888.db2.gz	AFWMZHIFNDEXNM-CQSZACIVSA-N	-1	0	308.338	0.418	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(CC(=O)[O-])CC1	ZINC000518986548	416884922	/nfs/dbraw/zinc/88/49/22/416884922.db2.gz	RLHHXXNQMRTWQI-SNVBAGLBSA-N	-1	0	303.384	0.509	20	30		DCEDRM
Cc1oc(CNS(=O)(=O)N(C)[C@H](C)CC#N)cc1C(=O)[O-]	ZINC000565308409	416961913	/nfs/dbraw/zinc/96/19/13/416961913.db2.gz	UIPBCLDFJSIWOA-MRVPVSSYSA-N	-1	0	315.351	0.855	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1[C@@H](C)SC[C@@H]1C(=O)[O-]	ZINC000565057423	416915958	/nfs/dbraw/zinc/91/59/58/416915958.db2.gz	GISZQAGVQLSEBZ-OPRDCNLKSA-N	-1	0	321.424	0.561	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-]	ZINC000565890246	417031423	/nfs/dbraw/zinc/03/14/23/417031423.db2.gz	NHVAGERXTJQTHJ-SNVBAGLBSA-N	-1	0	300.336	0.788	20	30		DCEDRM
CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000567356412	417063446	/nfs/dbraw/zinc/06/34/46/417063446.db2.gz	KMFAFDHXUIRAMG-DCAQKATOSA-N	-1	0	305.400	0.896	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1[C@H](C(=O)[O-])CCC1(C)C	ZINC000568001304	417073183	/nfs/dbraw/zinc/07/31/83/417073183.db2.gz	VLPJIVUFKWSLFN-ZJUUUORDSA-N	-1	0	303.384	0.650	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000643440524	417208275	/nfs/dbraw/zinc/20/82/75/417208275.db2.gz	AQPXHROWFMLFMZ-UHFFFAOYSA-N	-1	0	320.345	0.961	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@H](C)c1cn(C)nc1C)C(=O)[O-]	ZINC000576855602	417641644	/nfs/dbraw/zinc/64/16/44/417641644.db2.gz	IPAQODZLODOOMI-BXKDBHETSA-N	-1	0	310.354	0.745	20	30		DCEDRM
C=CCCCS(=O)(=O)N1Cc2nnc(C)n2C[C@H]1C(=O)[O-]	ZINC000663253248	418004532	/nfs/dbraw/zinc/00/45/32/418004532.db2.gz	RORWNFMECPHCCB-JTQLQIEISA-N	-1	0	314.367	0.151	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1Cc2cc(F)ccc2O1)C(=O)[O-]	ZINC000653658507	418099474	/nfs/dbraw/zinc/09/94/74/418099474.db2.gz	IZVVZCNRQFPAIQ-YPMHNXCESA-N	-1	0	309.293	0.901	20	30		DCEDRM
C=CCC[C@H](NC(=O)NC[C@H](OC)[C@H]1CCOC1)C(=O)[O-]	ZINC000656583523	418364953	/nfs/dbraw/zinc/36/49/53/418364953.db2.gz	DJRYOJWWRFTGFU-SRVKXCTJSA-N	-1	0	300.355	0.757	20	30		DCEDRM
COCCOCCNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000354561951	261237620	/nfs/dbraw/zinc/23/76/20/261237620.db2.gz	ONWPQOWEBMKZGN-UHFFFAOYSA-N	-1	0	311.363	0.774	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000362130581	262003372	/nfs/dbraw/zinc/00/33/72/262003372.db2.gz	RKSSWCLQUWIPFM-SNVBAGLBSA-N	-1	0	310.331	0.805	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000363394425	262113620	/nfs/dbraw/zinc/11/36/20/262113620.db2.gz	BIJIPBLCVFYWJZ-GFCCVEGCSA-N	-1	0	314.305	0.050	20	30		DCEDRM
COC(=O)CN(CC(=O)OC)C(=O)c1ccc(C#N)c(O)c1	ZINC000442646042	267362567	/nfs/dbraw/zinc/36/25/67/267362567.db2.gz	GJNLNVRAJJXOEG-UHFFFAOYSA-N	-1	0	306.274	0.052	20	30		DCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cc1C	ZINC000547909131	288090986	/nfs/dbraw/zinc/09/09/86/288090986.db2.gz	GWGAAAFMUUKYRT-NSHDSACASA-N	-1	0	312.347	0.587	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000273668073	303163324	/nfs/dbraw/zinc/16/33/24/303163324.db2.gz	FVLFVIMMHZJYKO-MRVPVSSYSA-N	-1	0	314.294	0.437	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCCC1	ZINC000580044274	332912021	/nfs/dbraw/zinc/91/20/21/332912021.db2.gz	KPZMMRIBWDCTET-LLVKDONJSA-N	-1	0	316.379	0.576	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000566311466	332334261	/nfs/dbraw/zinc/33/42/61/332334261.db2.gz	DEDUSYJEMFMHPO-VWYCJHECSA-N	-1	0	305.400	0.658	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-]	ZINC000566312313	332335422	/nfs/dbraw/zinc/33/54/22/332335422.db2.gz	MDTKSYGFMAJFKE-ONGXEEELSA-N	-1	0	315.351	0.201	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CCO[C@@H](C)C1)C(=O)[O-]	ZINC000574496760	332380747	/nfs/dbraw/zinc/38/07/47/332380747.db2.gz	WQHGVXWGQIVBRS-TUAOUCFPSA-N	-1	0	300.355	0.757	20	30		DCEDRM
CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000565054793	332509399	/nfs/dbraw/zinc/50/93/99/332509399.db2.gz	DCRCGQKTFJTXHQ-HBNTYKKESA-N	-1	0	303.384	0.650	20	30		DCEDRM
C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)CC1(CC#N)CC1	ZINC000519163032	335810397	/nfs/dbraw/zinc/81/03/97/335810397.db2.gz	NZFZXOPTUSLILT-IUCAKERBSA-N	-1	0	304.393	0.858	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(C)(C)[C@H]1C(=O)[O-]	ZINC000582364211	336943708	/nfs/dbraw/zinc/94/37/08/336943708.db2.gz	YCXGXZQPCNPSJB-WDEREUQCSA-N	-1	0	317.411	0.898	20	30		DCEDRM
COC(=O)[C@H](CCn1c(=O)[n-]cc(C#N)c1=O)c1ccccc1	ZINC000582605491	337112791	/nfs/dbraw/zinc/11/27/91/337112791.db2.gz	BBIVRYPCDUHORT-CYBMUJFWSA-N	-1	0	313.313	0.755	20	30		DCEDRM
N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1	ZINC000422660105	337683256	/nfs/dbraw/zinc/68/32/56/337683256.db2.gz	JXQYICBSOCEGLQ-LBPRGKRZSA-N	-1	0	301.302	0.767	20	30		DCEDRM
C=CC[C@@H](CC)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424449785	337833769	/nfs/dbraw/zinc/83/37/69/337833769.db2.gz	MCMIDZDFZRZTPJ-NXEZZACHSA-N	-1	0	304.368	0.234	20	30		DCEDRM
CCC[C@@H]1CCN(S(=O)(=O)N(C)CCC#N)[C@H]1C(=O)[O-]	ZINC000514778933	337970690	/nfs/dbraw/zinc/97/06/90/337970690.db2.gz	QOTCRBGCQLAOIQ-GHMZBOCLSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000491504775	339864629	/nfs/dbraw/zinc/86/46/29/339864629.db2.gz	IYAGOMXFPZCAAU-LBPRGKRZSA-N	-1	0	302.286	0.184	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2cn(C)nc2C)n(CCC#N)n1	ZINC000564244006	340968528	/nfs/dbraw/zinc/96/85/28/340968528.db2.gz	FBPGLKXQIOWUNL-UHFFFAOYSA-N	-1	0	308.367	0.948	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@H](CCO)C(=O)[O-])CCCCC1	ZINC000547872064	341238650	/nfs/dbraw/zinc/23/86/50/341238650.db2.gz	OAVTWIVXJQZNTQ-JTQLQIEISA-N	-1	0	304.368	0.215	20	30		DCEDRM
CCOC[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000555221702	341477450	/nfs/dbraw/zinc/47/74/50/341477450.db2.gz	OXWYYIXPZJKNHL-LLVKDONJSA-N	-1	0	318.395	0.870	20	30		DCEDRM
C[C@H]1CCN(C(=O)C(=O)N2CCC(C)(C#N)CC2)C[C@H]1C(=O)[O-]	ZINC000565775464	341537841	/nfs/dbraw/zinc/53/78/41/341537841.db2.gz	ULWPSYPHWIMYMD-NWDGAFQWSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000566311377	341553743	/nfs/dbraw/zinc/55/37/43/341553743.db2.gz	BSTKAWMLPMCDGW-VWYCJHECSA-N	-1	0	303.384	0.508	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCSC[C@H]2C#N)oc1C(=O)[O-]	ZINC001600295172	1159778906	/nfs/dbraw/zinc/77/89/06/1159778906.db2.gz	QUSCHKHDAQSCAN-MRVPVSSYSA-N	-1	0	316.360	0.916	20	30		DCEDRM
C#CCCN1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1	ZINC000277470800	526723989	/nfs/dbraw/zinc/72/39/89/526723989.db2.gz	IOXRQLMDNSXCNI-UHFFFAOYSA-N	-1	0	319.327	0.611	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)CC)C(=O)[O-]	ZINC000262859196	526788310	/nfs/dbraw/zinc/78/83/10/526788310.db2.gz	AOAZKHRBMGOSON-NEPJUHHUSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=CCOC[C@H](NC(=O)COc1ccccc1OC)C(=O)[O-]	ZINC000263047523	526803311	/nfs/dbraw/zinc/80/33/11/526803311.db2.gz	PPKHBLMSTUYDFL-NSHDSACASA-N	-1	0	309.318	0.846	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C)C(=O)[O-]	ZINC000262873407	526807532	/nfs/dbraw/zinc/80/75/32/526807532.db2.gz	BNZCLZALSJRYEX-SUNKGSAMSA-N	-1	0	321.329	0.987	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000263161014	526973985	/nfs/dbraw/zinc/97/39/85/526973985.db2.gz	GCRZAEQEVKSDPV-QWRGUYRKSA-N	-1	0	318.395	0.339	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C	ZINC000291095563	527069335	/nfs/dbraw/zinc/06/93/35/527069335.db2.gz	QGJAMVQASFKAEQ-JTQLQIEISA-N	-1	0	314.338	0.514	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)c1	ZINC000276395634	527120277	/nfs/dbraw/zinc/12/02/77/527120277.db2.gz	YQCNKUFUWGWSMN-LBPRGKRZSA-N	-1	0	318.329	0.721	20	30		DCEDRM
CC(C)O[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000295740841	528049884	/nfs/dbraw/zinc/04/98/84/528049884.db2.gz	STATYZFVOHBTMF-JTQLQIEISA-N	-1	0	311.363	0.681	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(NC(=O)OC(C)(C)C)cn1	ZINC000496837608	536343109	/nfs/dbraw/zinc/34/31/09/536343109.db2.gz	LVCFGWMCCRHMIN-QMMMGPOBSA-N	-1	0	319.321	0.892	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@H](CC(=O)[O-])C1	ZINC000819095625	597052302	/nfs/dbraw/zinc/05/23/02/597052302.db2.gz	DORVHLKIBHUNRB-SNVBAGLBSA-N	-1	0	323.374	0.897	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000765034744	597106571	/nfs/dbraw/zinc/10/65/71/597106571.db2.gz	JYEYBCQFEZJJAO-DZOVYVGFSA-N	-1	0	323.349	0.518	20	30		DCEDRM
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCC(=O)[O-]	ZINC000740227514	597113922	/nfs/dbraw/zinc/11/39/22/597113922.db2.gz	CNVKRNJIEMMBCE-UHFFFAOYSA-N	-1	0	315.333	0.741	20	30		DCEDRM
C#CCOc1ccc(C(=O)OCc2cn(CC(=O)[O-])nn2)cc1	ZINC000819706096	597359437	/nfs/dbraw/zinc/35/94/37/597359437.db2.gz	NWLHGXHPJUCWNX-UHFFFAOYSA-N	-1	0	315.285	0.732	20	30		DCEDRM
N#Cc1ccc(CCC(=O)OCc2cn(CC(=O)[O-])nn2)cc1	ZINC000821329678	597360602	/nfs/dbraw/zinc/36/06/02/597360602.db2.gz	FBZDJCAPKYTPDW-UHFFFAOYSA-N	-1	0	314.301	0.910	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)N2CC[C@H](C(=O)[O-])C2)nc1	ZINC000819100658	597508289	/nfs/dbraw/zinc/50/82/89/597508289.db2.gz	XXJKDYLCDHJRMI-NSHDSACASA-N	-1	0	303.322	0.481	20	30		DCEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NC[C@H]1CCCO1	ZINC000820160719	597613513	/nfs/dbraw/zinc/61/35/13/597613513.db2.gz	HEFBGEKIPXWKNS-RBZYPMLTSA-N	-1	0	312.322	0.218	20	30		DCEDRM
CN(Cc1nnc2n1CCCCC2)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820607424	597630735	/nfs/dbraw/zinc/63/07/35/597630735.db2.gz	BFLVZQBDUBFYSP-HNNXBMFYSA-N	-1	0	319.365	0.967	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000819810959	597634124	/nfs/dbraw/zinc/63/41/24/597634124.db2.gz	IWLTXRLOCJPEQY-BLLLJJGKSA-N	-1	0	321.377	0.756	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000819810961	597634359	/nfs/dbraw/zinc/63/43/59/597634359.db2.gz	IWLTXRLOCJPEQY-MLGOLLRUSA-N	-1	0	321.377	0.756	20	30		DCEDRM
CCCNC(=O)[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820321333	597640514	/nfs/dbraw/zinc/64/05/14/597640514.db2.gz	XDRCPOTUPRAZPV-XHDPSFHLSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CCc1nc([C@H]2CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO2)n[nH]1	ZINC000820492910	597652212	/nfs/dbraw/zinc/65/22/12/597652212.db2.gz	UFTQMBSJFPZANP-OTYXRUKQSA-N	-1	0	321.337	0.272	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nn1cc(Br)cn1	ZINC000819865614	597658975	/nfs/dbraw/zinc/65/89/75/597658975.db2.gz	MUMMUSDDZVRTSU-VIFPVBQESA-N	-1	0	301.100	0.720	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1ccc(C#N)cc1C)[C@H](C)C(=O)[O-]	ZINC000819753265	597686290	/nfs/dbraw/zinc/68/62/90/597686290.db2.gz	YMRWOYOXXYOOIJ-LLVKDONJSA-N	-1	0	317.345	0.918	20	30		DCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NCc1ccco1	ZINC000820114886	598225555	/nfs/dbraw/zinc/22/55/55/598225555.db2.gz	RYUJRBJLXJBVBV-XPTSAGLGSA-N	-1	0	307.306	0.405	20	30		DCEDRM
CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820297071	598226113	/nfs/dbraw/zinc/22/61/13/598226113.db2.gz	LCBOTAZXOLHDBP-IAQYHMDHSA-N	-1	0	309.366	0.898	20	30		DCEDRM
CCCC(=O)N[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820297073	598226117	/nfs/dbraw/zinc/22/61/17/598226117.db2.gz	LCBOTAZXOLHDBP-XHDPSFHLSA-N	-1	0	309.366	0.898	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(O[C@H]2CCOC2)CC1	ZINC000819811463	598229471	/nfs/dbraw/zinc/22/94/71/598229471.db2.gz	OZKSULGKYZDHMV-WFASDCNBSA-N	-1	0	310.350	0.787	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N(C)CC#N)c1	ZINC000737683972	599770810	/nfs/dbraw/zinc/77/08/10/599770810.db2.gz	IGBSJXNDJNWEPJ-SECBINFHSA-N	-1	0	319.317	0.954	20	30		DCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC000736372242	599842594	/nfs/dbraw/zinc/84/25/94/599842594.db2.gz	ZWNSLBPMWWVSBE-GFCCVEGCSA-N	-1	0	305.338	0.774	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1F	ZINC000739098282	599888705	/nfs/dbraw/zinc/88/87/05/599888705.db2.gz	BGBNPUMLXSTDDK-QMMMGPOBSA-N	-1	0	305.265	0.569	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NCCSCC(=O)[O-])cc1	ZINC000739123067	599910974	/nfs/dbraw/zinc/91/09/74/599910974.db2.gz	MSPSDTVHZMXKDE-UHFFFAOYSA-N	-1	0	307.331	0.431	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)CCSCC(=O)[O-])c1	ZINC000736091492	599965021	/nfs/dbraw/zinc/96/50/21/599965021.db2.gz	WQDGHFLMCUTAST-UHFFFAOYSA-N	-1	0	320.370	0.931	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCO[C@@H](C#N)C2)c1C(=O)[O-]	ZINC000738744104	599981787	/nfs/dbraw/zinc/98/17/87/599981787.db2.gz	JBCBGAZTQVWPQA-JTQLQIEISA-N	-1	0	310.331	0.606	20	30		DCEDRM
Cc1c(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cccc1C(=O)[O-]	ZINC000738301467	599998193	/nfs/dbraw/zinc/99/81/93/599998193.db2.gz	JKYCHWAHKFFIML-SNVBAGLBSA-N	-1	0	317.301	0.383	20	30		DCEDRM
CON=Cc1ccc(C(=O)N(CC(=O)[O-])CC(=O)OC)cc1	ZINC000737839216	600008397	/nfs/dbraw/zinc/00/83/97/600008397.db2.gz	FZUNTQYDSBGHRG-UHFFFAOYSA-N	-1	0	308.290	0.367	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1	ZINC000738431259	600037802	/nfs/dbraw/zinc/03/78/02/600037802.db2.gz	VRURAFKWGVZWCF-ZDUSSCGKSA-N	-1	0	315.329	0.611	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nc1	ZINC000739123042	600076278	/nfs/dbraw/zinc/07/62/78/600076278.db2.gz	LXZUAAIJQWZMLP-NEPJUHHUSA-N	-1	0	300.318	0.323	20	30		DCEDRM
N#CCN(C(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccccc1	ZINC000739075384	600171931	/nfs/dbraw/zinc/17/19/31/600171931.db2.gz	FCAVITBKVAXKES-NEPJUHHUSA-N	-1	0	302.286	0.807	20	30		DCEDRM
CN(C(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-])C1(C#N)CCCCC1	ZINC000737321493	600177313	/nfs/dbraw/zinc/17/73/13/600177313.db2.gz	GEDQHBANRVOJES-GHMZBOCLSA-N	-1	0	308.334	0.935	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cn2)CCN1C1CC1	ZINC000739069253	600461793	/nfs/dbraw/zinc/46/17/93/600461793.db2.gz	OIAZWHPZSSTPSB-LBPRGKRZSA-N	-1	0	300.318	0.592	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)CN2CCCNC2=O)C(=O)[O-])cc1	ZINC000739110913	600611323	/nfs/dbraw/zinc/61/13/23/600611323.db2.gz	SFSGEISJXAJKCD-CYBMUJFWSA-N	-1	0	317.301	0.642	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)[C@@H]2CCC(=O)NC2)C(=O)[O-])cc1	ZINC000739109705	600612924	/nfs/dbraw/zinc/61/29/24/600612924.db2.gz	MODZVQBHUWTYCX-DGCLKSJQSA-N	-1	0	302.286	0.753	20	30		DCEDRM
CC(=NNCCS(C)(=O)=O)c1ccc(OCC(=O)[O-])cc1	ZINC000736125469	600615009	/nfs/dbraw/zinc/61/50/09/600615009.db2.gz	ITPVBOCJDZTOGY-UHFFFAOYSA-N	-1	0	314.363	0.508	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)COC(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000736889360	600649267	/nfs/dbraw/zinc/64/92/67/600649267.db2.gz	XGZIPZSQAUBRTE-ZANVPECISA-N	-1	0	319.317	0.726	20	30		DCEDRM
C[C@@H](C(=O)N(CC#N)CC(=O)[O-])N1C(=O)c2ccccc2C1=O	ZINC000736200882	600675120	/nfs/dbraw/zinc/67/51/20/600675120.db2.gz	SDVSFEASOWVJCB-VIFPVBQESA-N	-1	0	315.285	0.108	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC[C@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000736267728	600696384	/nfs/dbraw/zinc/69/63/84/600696384.db2.gz	JMHLEOLVTLNZFN-JTQLQIEISA-N	-1	0	311.338	0.680	20	30		DCEDRM
Cc1nnc(NN=Cc2ccc(-c3nn[nH]n3)cc2F)[n-]c1=O	ZINC000822515008	607463857	/nfs/dbraw/zinc/46/38/57/607463857.db2.gz	IXONSIGGXHMBEX-UHFFFAOYSA-N	-1	0	315.272	0.651	20	30		DCEDRM
C#CCCCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000825605746	600925907	/nfs/dbraw/zinc/92/59/07/600925907.db2.gz	PLXKVUPWAUPNFN-UHFFFAOYSA-N	-1	0	304.302	0.618	20	30		DCEDRM
CCC(CC)(NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000828824816	600975887	/nfs/dbraw/zinc/97/58/87/600975887.db2.gz	VOLMWMOWNORQSL-OUKQBFOZSA-N	-1	0	323.349	0.663	20	30		DCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC000054156527	600989394	/nfs/dbraw/zinc/98/93/94/600989394.db2.gz	KODFIUYTDDQAJL-JTQLQIEISA-N	-1	0	312.347	0.978	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCSC[C@@H]1CC(=O)[O-]	ZINC000826677619	601026125	/nfs/dbraw/zinc/02/61/25/601026125.db2.gz	WBEUYAMQGVFBBI-FZMZJTMJSA-N	-1	0	313.423	0.933	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)NCc1cc(C#N)ccc1F	ZINC000830747647	601264008	/nfs/dbraw/zinc/26/40/08/601264008.db2.gz	WZMMTOSMOXIRDL-UHFFFAOYSA-N	-1	0	315.326	0.438	20	30		DCEDRM
CCOC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC000829837513	601320108	/nfs/dbraw/zinc/32/01/08/601320108.db2.gz	HPJGYNSPCKOJAW-KBPBESRZSA-N	-1	0	318.329	0.948	20	30		DCEDRM
Cn1nc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1=O	ZINC000833060026	601349756	/nfs/dbraw/zinc/34/97/56/601349756.db2.gz	MEBNOIYMUHAKML-CYBMUJFWSA-N	-1	0	313.269	0.635	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)OCc1noc(CCC(=O)[O-])n1	ZINC000833041162	601357364	/nfs/dbraw/zinc/35/73/64/601357364.db2.gz	HKPKNUQAHRCZRS-UHFFFAOYSA-N	-1	0	304.262	0.654	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1	ZINC000091294160	601397237	/nfs/dbraw/zinc/39/72/37/601397237.db2.gz	YZKCBSVWYYGKDT-NSHDSACASA-N	-1	0	310.331	0.422	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000091294157	601398449	/nfs/dbraw/zinc/39/84/49/601398449.db2.gz	MUSAVLWHUHYQQC-LLVKDONJSA-N	-1	0	310.331	0.422	20	30		DCEDRM
C#CCN(CC#C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000825608497	601434708	/nfs/dbraw/zinc/43/47/08/601434708.db2.gz	AWTXVHHHZMEFEB-INIZCTEOSA-N	-1	0	310.353	0.593	20	30		DCEDRM
C[C@H](C#N)CNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000825967357	601556874	/nfs/dbraw/zinc/55/68/74/601556874.db2.gz	UHJDWBXCFPDMRD-SECBINFHSA-N	-1	0	304.306	0.782	20	30		DCEDRM
Cn1cc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1C(=O)[O-]	ZINC000833049550	602360030	/nfs/dbraw/zinc/36/00/30/602360030.db2.gz	VVELUDZWFQTRPV-LBPRGKRZSA-N	-1	0	317.349	0.927	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000736418898	602690170	/nfs/dbraw/zinc/69/01/70/602690170.db2.gz	CPDYVDPMXWOSCK-CHWSQXEVSA-N	-1	0	308.382	0.867	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)CN(CC2CC2)C(=O)[O-])CC1	ZINC000823455441	602772555	/nfs/dbraw/zinc/77/25/55/602772555.db2.gz	CKXRGGSLCZHHCJ-UHFFFAOYSA-N	-1	0	321.377	0.364	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[C@@H](CNC(=O)[O-])c2ccccc2)CCO1	ZINC000831076181	602872533	/nfs/dbraw/zinc/87/25/33/602872533.db2.gz	HKFKKDGDXVGIAV-STQMWFEESA-N	-1	0	303.318	0.789	20	30		DCEDRM
Cn1c(Oc2ccc(NC(=O)[O-])cc2)c(C#N)c(=O)n(C)c1=O	ZINC000830978570	603196530	/nfs/dbraw/zinc/19/65/30/603196530.db2.gz	JBCLTEMVJKLHFJ-UHFFFAOYSA-N	-1	0	316.273	0.838	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1	ZINC000823455527	603534747	/nfs/dbraw/zinc/53/47/47/603534747.db2.gz	DIVWLWGZGSPVFL-STQMWFEESA-N	-1	0	321.377	0.411	20	30		DCEDRM
CC(C)(C)C(=O)NCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000823754343	603593079	/nfs/dbraw/zinc/59/30/79/603593079.db2.gz	IMDHVJOXILCKNG-SNVBAGLBSA-N	-1	0	310.354	0.253	20	30		DCEDRM
CC(C)CN(CCC#N)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000824251057	603598686	/nfs/dbraw/zinc/59/86/86/603598686.db2.gz	DSLPPAOVSSWSGD-ZDUSSCGKSA-N	-1	0	323.397	0.915	20	30		DCEDRM
C[C@@H](NC(=O)[O-])C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000825185170	603611389	/nfs/dbraw/zinc/61/13/89/603611389.db2.gz	ANSKPFOICMTXFD-VXNVDRBHSA-N	-1	0	323.330	0.924	20	30		DCEDRM
C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825889247	603728671	/nfs/dbraw/zinc/72/86/71/603728671.db2.gz	VVIUIYAIIRZODW-JHJVBQTASA-N	-1	0	308.382	0.964	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1Cc1cc(=O)n2ccccc2n1	ZINC000831091301	603729234	/nfs/dbraw/zinc/72/92/34/603729234.db2.gz	BABZQCSTZRSDKU-LBPRGKRZSA-N	-1	0	313.317	0.382	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823457253	603806613	/nfs/dbraw/zinc/80/66/13/603806613.db2.gz	WQJMYWBODKOTFB-WODVXLOZSA-N	-1	0	322.361	0.979	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)N1CCCCCC1	ZINC000831091367	603918348	/nfs/dbraw/zinc/91/83/48/603918348.db2.gz	CEOJYDLBVJOFAQ-NSHDSACASA-N	-1	0	316.383	0.295	20	30		DCEDRM
N#CCN1CCC(CNC(=O)CN(CC2CC2)C(=O)[O-])CC1	ZINC000831102869	603920472	/nfs/dbraw/zinc/92/04/72/603920472.db2.gz	XIKOIKSFOSVBKW-UHFFFAOYSA-N	-1	0	308.382	0.728	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)C[C@H]1CCCN1C(=O)[O-])C1CC1	ZINC000823648674	603936052	/nfs/dbraw/zinc/93/60/52/603936052.db2.gz	VEFWKULSCCYSHW-ABAIWWIYSA-N	-1	0	323.349	0.871	20	30		DCEDRM
C[C@@H](C(=O)OCC(=O)NCC#N)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823731609	604022812	/nfs/dbraw/zinc/02/28/12/604022812.db2.gz	PAXMFYIZOGZLEM-ZWNOBZJWSA-N	-1	0	319.317	0.814	20	30		DCEDRM
CC(C)(C)N1C[C@@H](C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)CC1=O	ZINC000823772553	604072018	/nfs/dbraw/zinc/07/20/18/604072018.db2.gz	NCSLKSZEBIAEAW-WDEREUQCSA-N	-1	0	322.365	0.348	20	30		DCEDRM
CCc1noc(CCCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000827669697	604084755	/nfs/dbraw/zinc/08/47/55/604084755.db2.gz	DVPKCGFLQMRLLX-SNVBAGLBSA-N	-1	0	321.337	0.669	20	30		DCEDRM
Cn1nc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1C1CC1	ZINC000831050809	604085721	/nfs/dbraw/zinc/08/57/21/604085721.db2.gz	RKPSNCHJSGHILC-SNVBAGLBSA-N	-1	0	303.322	0.625	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)CC2CN(C(=O)[O-])C2)C(N)=O)cc1	ZINC000831122903	604088844	/nfs/dbraw/zinc/08/88/44/604088844.db2.gz	VXVLAOIZIKPWDI-ZDUSSCGKSA-N	-1	0	317.301	0.628	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)CN(C)C(=O)[O-])c1	ZINC000823475307	604107524	/nfs/dbraw/zinc/10/75/24/604107524.db2.gz	WVQDLINCCIYIEV-LLVKDONJSA-N	-1	0	317.345	0.969	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)CN(C)C(=O)[O-])c1	ZINC000823475308	604107725	/nfs/dbraw/zinc/10/77/25/604107725.db2.gz	WVQDLINCCIYIEV-NSHDSACASA-N	-1	0	317.345	0.969	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N(C)[C@@H](C)CNC(=O)[O-])c1C#N	ZINC000830511654	604134980	/nfs/dbraw/zinc/13/49/80/604134980.db2.gz	KXYSYOQNQCTXAA-JTQLQIEISA-N	-1	0	318.333	0.920	20	30		DCEDRM
CN(C[C@H]1CCCN1C(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC000828211264	604154782	/nfs/dbraw/zinc/15/47/82/604154782.db2.gz	GXFFXCOAQIHKBI-SNVBAGLBSA-N	-1	0	306.326	0.898	20	30		DCEDRM
COCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000828993037	604219307	/nfs/dbraw/zinc/21/93/07/604219307.db2.gz	VIWGVLXQXLDJFS-OUAUKWLOSA-N	-1	0	311.338	0.284	20	30		DCEDRM
N#C[C@H](C(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C(=O)NC1CC1	ZINC000831064303	604223194	/nfs/dbraw/zinc/22/31/94/604223194.db2.gz	FJAHQSSDOJSBTL-GHMZBOCLSA-N	-1	0	309.322	0.133	20	30		DCEDRM
CN(C(=O)[O-])[C@@H]1CCN(c2ncnc3c2cnn3CCC#N)C1	ZINC000827901340	604223346	/nfs/dbraw/zinc/22/33/46/604223346.db2.gz	VOJPWNUJAWVATM-SNVBAGLBSA-N	-1	0	315.337	0.928	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@H](CC(=O)[O-])c2cccs2)n1	ZINC000833079835	604272706	/nfs/dbraw/zinc/27/27/06/604272706.db2.gz	ZSAHUPHQMJGVJK-MRVPVSSYSA-N	-1	0	305.319	0.543	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)n1	ZINC000833078393	604336003	/nfs/dbraw/zinc/33/60/03/604336003.db2.gz	IUOOCFZGYKBRFO-GFCCVEGCSA-N	-1	0	303.253	0.231	20	30		DCEDRM
CN1CCN(C(=O)c2cc(C#N)cs2)[C@@H](CNC(=O)[O-])C1	ZINC000828508008	604399886	/nfs/dbraw/zinc/39/98/86/604399886.db2.gz	VXAJHTIYDMDANJ-JTQLQIEISA-N	-1	0	308.363	0.644	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CCO1	ZINC000825371186	604450458	/nfs/dbraw/zinc/45/04/58/604450458.db2.gz	DIRQOODKOZFKBF-SCZZXKLOSA-N	-1	0	321.293	0.723	20	30		DCEDRM
C[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)S(C)(=O)=O	ZINC000833410360	604582236	/nfs/dbraw/zinc/58/22/36/604582236.db2.gz	WRSOJOWENLKBDC-MRVPVSSYSA-N	-1	0	311.315	0.733	20	30		DCEDRM
C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCO[C@H](C#N)C1	ZINC000826009501	604761521	/nfs/dbraw/zinc/76/15/21/604761521.db2.gz	YPGCTRQSYJTSSK-BXUZGUMPSA-N	-1	0	317.345	0.614	20	30		DCEDRM
C[C@@H](OC(=O)c1cnccc1C(=O)[O-])C(=O)N(C)CCC#N	ZINC000827867508	604873162	/nfs/dbraw/zinc/87/31/62/604873162.db2.gz	OVIHSVPKNYUTHH-SECBINFHSA-N	-1	0	305.290	0.697	20	30		DCEDRM
C#CCSCCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833368519	604892210	/nfs/dbraw/zinc/89/22/10/604892210.db2.gz	PTRLYJMJSKFQEP-LLVKDONJSA-N	-1	0	300.380	0.220	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000833370901	605057285	/nfs/dbraw/zinc/05/72/85/605057285.db2.gz	OIIPVELVZAQVRS-SECBINFHSA-N	-1	0	324.308	0.763	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000833369643	605060279	/nfs/dbraw/zinc/06/02/79/605060279.db2.gz	BRZBMKAIFZFEQU-VIFPVBQESA-N	-1	0	317.338	0.987	20	30		DCEDRM
C=CCCOCC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC000833373765	605061546	/nfs/dbraw/zinc/06/15/46/605061546.db2.gz	BVQGHCGXKLRWGV-UHFFFAOYSA-N	-1	0	320.349	0.416	20	30		DCEDRM
C#CCOc1cccc(OC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000823466552	605075101	/nfs/dbraw/zinc/07/51/01/605075101.db2.gz	DLASLJSMJCLDIL-CYBMUJFWSA-N	-1	0	305.286	0.983	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000833369580	605093338	/nfs/dbraw/zinc/09/33/38/605093338.db2.gz	AOIVYXXRRDMRON-SECBINFHSA-N	-1	0	324.308	0.763	20	30		DCEDRM
N#Cc1cccc(OCCOC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831152811	605199730	/nfs/dbraw/zinc/19/97/30/605199730.db2.gz	NMCLEGHYZPQTAE-CYBMUJFWSA-N	-1	0	320.301	0.859	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)NCCCN(C)C(=O)[O-]	ZINC000829838983	605208259	/nfs/dbraw/zinc/20/82/59/605208259.db2.gz	AKJKNECVTZROMH-UHFFFAOYSA-N	-1	0	318.333	0.921	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000393815260	605211874	/nfs/dbraw/zinc/21/18/74/605211874.db2.gz	YITIECFFYXNZGG-UHFFFAOYSA-N	-1	0	304.349	0.027	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)C(=O)c1cc(C(=O)[O-])no1	ZINC000833759936	605285564	/nfs/dbraw/zinc/28/55/64/605285564.db2.gz	AFFXSWYYVCVZMT-UHFFFAOYSA-N	-1	0	322.321	0.061	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCc2n[nH]cc2C1	ZINC000833965470	605321179	/nfs/dbraw/zinc/32/11/79/605321179.db2.gz	AZJXTCLKRCDFRH-ONGXEEELSA-N	-1	0	303.322	0.229	20	30		DCEDRM
C[C@H](CCNC(=O)C(=O)Nc1ccc(C#N)cc1F)NC(=O)[O-]	ZINC000824775352	605355476	/nfs/dbraw/zinc/35/54/76/605355476.db2.gz	AARLNLIDHXEOPH-MRVPVSSYSA-N	-1	0	322.296	0.798	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000819705765	605498228	/nfs/dbraw/zinc/49/82/28/605498228.db2.gz	FGMKKQPBQYLFOH-UHFFFAOYSA-N	-1	0	308.265	0.228	20	30		DCEDRM
C#CCN(Cc1ccc(NC(=O)[O-])nc1)[C@@H]1CCS(=O)(=O)C1	ZINC000833786868	605535928	/nfs/dbraw/zinc/53/59/28/605535928.db2.gz	BXTUOUJSDNOHLY-GFCCVEGCSA-N	-1	0	323.374	0.794	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(=O)OC)cn1	ZINC000833369035	605646044	/nfs/dbraw/zinc/64/60/44/605646044.db2.gz	ZZKSTTDHFWGYOF-MFKMUULPSA-N	-1	0	316.313	0.541	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc2c(cc1O)OCO2	ZINC000833968095	605654714	/nfs/dbraw/zinc/65/47/14/605654714.db2.gz	UIBCXKXICWHKTH-MRVPVSSYSA-N	-1	0	319.273	0.449	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000833375557	605674917	/nfs/dbraw/zinc/67/49/17/605674917.db2.gz	FAOOHMWAXVNMBB-UHFFFAOYSA-N	-1	0	306.318	0.571	20	30		DCEDRM
C[C@@H](NC(=O)[O-])C1CCN(C(=O)Cn2cnc(C#N)n2)CC1	ZINC000825280066	605707385	/nfs/dbraw/zinc/70/73/85/605707385.db2.gz	FCLHWZRETMGKBC-SECBINFHSA-N	-1	0	306.326	0.044	20	30		DCEDRM
N#Cc1c(Cl)cccc1S(=O)(=O)NC1CN(C(=O)[O-])C1	ZINC000833761078	605845206	/nfs/dbraw/zinc/84/52/06/605845206.db2.gz	MRXXBEZMVCHTPH-UHFFFAOYSA-N	-1	0	315.738	0.852	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000833366708	605922053	/nfs/dbraw/zinc/92/20/53/605922053.db2.gz	GJNOSEYEXCBEAB-UHFFFAOYSA-N	-1	0	324.333	0.945	20	30		DCEDRM
N#Cc1cccc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1F	ZINC000833978196	605954904	/nfs/dbraw/zinc/95/49/04/605954904.db2.gz	FIVVYOOUTVYFFC-WDEREUQCSA-N	-1	0	308.265	0.854	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)C(=O)CN(C(=O)[O-])C1CC1	ZINC000833965131	605964476	/nfs/dbraw/zinc/96/44/76/605964476.db2.gz	AMSPITSHKYUZCA-UHFFFAOYSA-N	-1	0	324.381	0.203	20	30		DCEDRM
N#CCCN(CN1C[C@@H](NC(=O)[O-])CC1=O)CC(F)(F)F	ZINC000833965989	605995958	/nfs/dbraw/zinc/99/59/58/605995958.db2.gz	XOSSULBVWRCVIP-QMMMGPOBSA-N	-1	0	308.260	0.590	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CCCc3n[nH]cc32)[n-]c1-c1nn[nH]n1	ZINC000822815546	606908334	/nfs/dbraw/zinc/90/83/34/606908334.db2.gz	SSIPNLSETIBXIL-LURJTMIESA-N	-1	0	324.308	0.243	20	30		DCEDRM
N#CCc1ccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)cc1	ZINC000826382575	609488768	/nfs/dbraw/zinc/48/87/68/609488768.db2.gz	KMCMULWEZIRURH-UHFFFAOYSA-N	-1	0	305.305	0.631	20	30		DCEDRM
C#Cc1cccc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)c1	ZINC000909391344	660549913	/nfs/dbraw/zinc/54/99/13/660549913.db2.gz	TTZCALOAJCXHNI-UHFFFAOYSA-N	-1	0	300.318	0.767	20	30		DCEDRM
N#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4oc(=O)nc-4[n-]3)[C@@H]2C1	ZINC000978938837	660633256	/nfs/dbraw/zinc/63/32/56/660633256.db2.gz	GBXYTJOAEJMANQ-OWUUHHOZSA-N	-1	0	313.317	0.360	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCC(=O)NCCC)CC1	ZINC000870834540	667765398	/nfs/dbraw/zinc/76/53/98/667765398.db2.gz	HOOKIWXJNQCAQE-UHFFFAOYSA-N	-1	0	302.396	0.848	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)CC1(C#N)CCCCC1	ZINC000846002741	658092292	/nfs/dbraw/zinc/09/22/92/658092292.db2.gz	MUWSUIKNZZIJBB-UHFFFAOYSA-N	-1	0	303.384	0.448	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)c1[O-]	ZINC000969803679	658156340	/nfs/dbraw/zinc/15/63/40/658156340.db2.gz	ASGFKMKCCMYCPY-IEBDPFPHSA-N	-1	0	317.349	0.399	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)N(C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1	ZINC000939411567	665576410	/nfs/dbraw/zinc/57/64/10/665576410.db2.gz	SEYFDAIMRAJXAC-KOLCDFICSA-N	-1	0	317.349	0.323	20	30		DCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC	ZINC000860778360	658602459	/nfs/dbraw/zinc/60/24/59/658602459.db2.gz	FWIOXBHXXCFOOF-UHFFFAOYSA-N	-1	0	318.395	0.962	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(C)nc1Br	ZINC000892489498	658718326	/nfs/dbraw/zinc/71/83/26/658718326.db2.gz	KXEDAJSEGLGNOO-ZETCQYMHSA-N	-1	0	311.139	0.807	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000892642602	659053965	/nfs/dbraw/zinc/05/39/65/659053965.db2.gz	CDEVYHNHKDSGAO-UHFFFAOYSA-N	-1	0	307.784	0.245	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]1CCCCO1	ZINC000791110297	661708669	/nfs/dbraw/zinc/70/86/69/661708669.db2.gz	BHHKYQKMOLFNQQ-VXGBXAGGSA-N	-1	0	303.380	0.430	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1nccs1	ZINC000791110407	661708688	/nfs/dbraw/zinc/70/86/88/661708688.db2.gz	CWDJGTGWOIIYJJ-JTQLQIEISA-N	-1	0	313.404	0.581	20	30		DCEDRM
Cc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793205886	662058257	/nfs/dbraw/zinc/05/82/57/662058257.db2.gz	SGOLZSWJBVVANP-UHFFFAOYSA-N	-1	0	316.770	0.745	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1	ZINC000183570943	662084589	/nfs/dbraw/zinc/08/45/89/662084589.db2.gz	PTMAMUXLRXZNQT-UHFFFAOYSA-N	-1	0	313.379	0.384	20	30		DCEDRM
COc1cc(C=NNS(=O)(=O)C(C)C)cc([N+](=O)[O-])c1[O-]	ZINC000749748496	662108583	/nfs/dbraw/zinc/10/85/83/662108583.db2.gz	GGQGCCURLGJPGS-UHFFFAOYSA-N	-1	0	317.323	0.971	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1sc(COC)nc1C	ZINC000759204285	668210191	/nfs/dbraw/zinc/21/01/91/668210191.db2.gz	BPHSIWRVABJORJ-SECBINFHSA-N	-1	0	311.363	0.683	20	30		DCEDRM
CC#CC[C@@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000872500384	663050423	/nfs/dbraw/zinc/05/04/23/663050423.db2.gz	OMLIHOLBCHSXAL-YPMLDQLKSA-N	-1	0	310.441	0.491	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C3(C4CC4)CC3)C2)c(=O)[n-]c1=O	ZINC000899130660	663125080	/nfs/dbraw/zinc/12/50/80/663125080.db2.gz	YSJJYPQBKORGER-UHFFFAOYSA-N	-1	0	300.318	0.394	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)n1C	ZINC000899926578	663201172	/nfs/dbraw/zinc/20/11/72/663201172.db2.gz	OEVMMWNIBGOBNE-LLVKDONJSA-N	-1	0	311.363	0.217	20	30		DCEDRM
CCn1cnc(S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)c1	ZINC000899926047	663201215	/nfs/dbraw/zinc/20/12/15/663201215.db2.gz	KIYBIUIUCIQJPA-LLVKDONJSA-N	-1	0	311.363	0.392	20	30		DCEDRM
C=C1CC(C)(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)C1	ZINC000990857630	663269365	/nfs/dbraw/zinc/26/93/65/663269365.db2.gz	BGGGKZKIUPPIST-UHFFFAOYSA-N	-1	0	304.350	0.721	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC000906935695	663652669	/nfs/dbraw/zinc/65/26/69/663652669.db2.gz	UHJHJEZZGUZWQS-STQMWFEESA-N	-1	0	309.343	0.844	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)C1	ZINC000907129074	663669970	/nfs/dbraw/zinc/66/99/70/663669970.db2.gz	VYHKOPSAKWDDIZ-UHFFFAOYSA-N	-1	0	313.306	0.201	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)NCc1cnc(N(C)C)n1C)C(=O)[O-]	ZINC000908960699	663777086	/nfs/dbraw/zinc/77/70/86/663777086.db2.gz	HUZMUSDEVPJGBZ-NSHDSACASA-N	-1	0	309.370	0.705	20	30		DCEDRM
C=CCCOCCNC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000909118008	663781598	/nfs/dbraw/zinc/78/15/98/663781598.db2.gz	UIDZKXOPNXBDQM-NEPJUHHUSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)NCCc1ccn(C)n1)C(=O)[O-]	ZINC000909144177	663783068	/nfs/dbraw/zinc/78/30/68/663783068.db2.gz	BIMSBAUSRLWTQC-JTQLQIEISA-N	-1	0	300.746	0.858	20	30		DCEDRM
C=CCO[N-]C(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C	ZINC000909285242	663791563	/nfs/dbraw/zinc/79/15/63/663791563.db2.gz	KXOWYGWBMPZPQC-QMTHXVAHSA-N	-1	0	300.355	0.981	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCNC(=O)Cc1ccccc1)C(=O)[O-]	ZINC000910052884	663837333	/nfs/dbraw/zinc/83/73/33/663837333.db2.gz	JMDGGBUHDPEYJH-CYBMUJFWSA-N	-1	0	302.330	0.328	20	30		DCEDRM
C#CC[C@H](NC(=O)CN1c2ccccc2O[C@@H](C)C1=O)C(=O)[O-]	ZINC000910052356	663837437	/nfs/dbraw/zinc/83/74/37/663837437.db2.gz	VEZVSLHFMBYKJN-QWRGUYRKSA-N	-1	0	316.313	0.393	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)C(=O)[O-]	ZINC000910054759	663837998	/nfs/dbraw/zinc/83/79/98/663837998.db2.gz	SIUDTIOHCWDYGD-RYUDHWBXSA-N	-1	0	324.402	0.671	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccccc1N1CCOCC1)C(=O)[O-]	ZINC000910053826	663838023	/nfs/dbraw/zinc/83/80/23/663838023.db2.gz	KBAYMDUSGRAHLE-CYBMUJFWSA-N	-1	0	302.330	0.730	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F	ZINC000910352138	663876921	/nfs/dbraw/zinc/87/69/21/663876921.db2.gz	IQEPQMKKWVVQLC-JGVFFNPUSA-N	-1	0	313.297	0.890	20	30		DCEDRM
COC(=O)c1cn[n-]c1S(=O)(=O)Oc1cccc(C#N)c1	ZINC000912527184	664184110	/nfs/dbraw/zinc/18/41/10/664184110.db2.gz	AOHKFCLPFMXNCM-UHFFFAOYSA-N	-1	0	307.287	0.836	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1	ZINC000913496195	664328172	/nfs/dbraw/zinc/32/81/72/664328172.db2.gz	VHGCOERITQMOOC-CYBMUJFWSA-N	-1	0	313.317	0.425	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CN(Cc3cccc(C#N)c3)C2)c1[O-]	ZINC001030225602	664480761	/nfs/dbraw/zinc/48/07/61/664480761.db2.gz	WKQMIDZAXHXLNF-UHFFFAOYSA-N	-1	0	311.345	0.910	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCC[C@H](CF)C2)c(=O)[n-]c1=O	ZINC000914425456	664778903	/nfs/dbraw/zinc/77/89/03/664778903.db2.gz	LOWIPQLZZGTOAM-SNVBAGLBSA-N	-1	0	308.313	0.419	20	30		DCEDRM
C[C@@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000763027935	664824096	/nfs/dbraw/zinc/82/40/96/664824096.db2.gz	FVPFNRJMNDTUPV-KOLCDFICSA-N	-1	0	300.380	0.987	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(F)cc([N+](=O)[O-])c1	ZINC000731546484	664870514	/nfs/dbraw/zinc/87/05/14/664870514.db2.gz	PNUJCYBWULFCQH-NSHDSACASA-N	-1	0	309.253	0.819	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C(=O)OC)c1	ZINC000916889627	665099133	/nfs/dbraw/zinc/09/91/33/665099133.db2.gz	ANSYKUGJFWEBRQ-GFCCVEGCSA-N	-1	0	304.302	0.558	20	30		DCEDRM
COC(=O)NCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000919510138	665219589	/nfs/dbraw/zinc/21/95/89/665219589.db2.gz	KRQSNXMKDSKBCB-QMMMGPOBSA-N	-1	0	311.319	0.527	20	30		DCEDRM
C=C(Cl)CN1CC(CNC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001032033300	666193194	/nfs/dbraw/zinc/19/31/94/666193194.db2.gz	VJAZSQAGMWXRAM-UHFFFAOYSA-N	-1	0	321.768	0.437	20	30		DCEDRM
Cc1nc(C)c(CC(=O)N[C@H]2CCN(CC#N)C[C@H]2C)c(=O)[nH]1	ZINC000944890446	666539372	/nfs/dbraw/zinc/53/93/72/666539372.db2.gz	LPOSSCVTRGQDGY-YGRLFVJLSA-N	-1	0	317.393	0.692	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc2nnc(C)n2c1	ZINC000733678234	666797160	/nfs/dbraw/zinc/79/71/60/666797160.db2.gz	VYJSGZPBCSBQLC-LBPRGKRZSA-N	-1	0	315.333	0.513	20	30		DCEDRM
N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000733720820	666808166	/nfs/dbraw/zinc/80/81/66/666808166.db2.gz	HJKDEUSPFJCYHM-SNVBAGLBSA-N	-1	0	310.331	0.437	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(OCC#N)cc1	ZINC000788072558	667034645	/nfs/dbraw/zinc/03/46/45/667034645.db2.gz	WABROLCZBZVXOO-UHFFFAOYSA-N	-1	0	306.343	0.601	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1sc(COC)nc1C	ZINC000788072978	667036121	/nfs/dbraw/zinc/03/61/21/667036121.db2.gz	ZFLBXWPPXSRAAG-UHFFFAOYSA-N	-1	0	302.377	0.681	20	30		DCEDRM
Cc1nnc(NN=Cc2nc(Br)nn2C)[n-]c1=O	ZINC000863067644	667112009	/nfs/dbraw/zinc/11/20/09/667112009.db2.gz	GEFZZJXFOCKONO-UHFFFAOYSA-N	-1	0	313.119	0.223	20	30		DCEDRM
Cc1ccc(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)nc1	ZINC000863935139	667195018	/nfs/dbraw/zinc/19/50/18/667195018.db2.gz	USTUYSLZGNAFGL-UHFFFAOYSA-N	-1	0	311.301	0.221	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000864186991	667222850	/nfs/dbraw/zinc/22/28/50/667222850.db2.gz	BJHPPPRMSHMACU-NXEZZACHSA-N	-1	0	321.420	0.442	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000737727444	667630834	/nfs/dbraw/zinc/63/08/34/667630834.db2.gz	MOEXUFVRNQWVMQ-LLVKDONJSA-N	-1	0	314.305	0.050	20	30		DCEDRM
O=C(C#CC1CC1)OCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000838367993	667688371	/nfs/dbraw/zinc/68/83/71/667688371.db2.gz	XNXRYJBMBZWDNI-UHFFFAOYSA-N	-1	0	304.327	0.965	20	30		DCEDRM
C=CC[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)OC)c1ccccc1	ZINC000838800338	667707589	/nfs/dbraw/zinc/70/75/89/667707589.db2.gz	YPBXLBDOONOXKT-GFCCVEGCSA-N	-1	0	311.359	0.965	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cn(C)cn1)OCC	ZINC000838990866	667723613	/nfs/dbraw/zinc/72/36/13/667723613.db2.gz	FRYKOVSZAWRAFJ-JTQLQIEISA-N	-1	0	301.368	0.596	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)OC	ZINC000841541548	667735020	/nfs/dbraw/zinc/73/50/20/667735020.db2.gz	UOTNYROIVVKTOP-JTQLQIEISA-N	-1	0	321.276	0.947	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2CCN(C(=O)OC)CC2)CC1	ZINC000870838584	667765295	/nfs/dbraw/zinc/76/52/95/667765295.db2.gz	GBIYCYHBBYFQNJ-UHFFFAOYSA-N	-1	0	316.379	0.629	20	30		DCEDRM
COC[C@@](C)(O)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000745321107	667844828	/nfs/dbraw/zinc/84/48/28/667844828.db2.gz	IOPKZEQFJJJWRX-TVQRCGJNSA-N	-1	0	312.347	0.568	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1	ZINC000871940859	667858370	/nfs/dbraw/zinc/85/83/70/667858370.db2.gz	YWBSWVWLBCMMOO-UHFFFAOYSA-N	-1	0	315.322	0.760	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)C[C@@H](OC)C1CC1)C(=O)[O-]	ZINC000871995751	667864681	/nfs/dbraw/zinc/86/46/81/667864681.db2.gz	GQBQUKQWXWQGFZ-NXEZZACHSA-N	-1	0	311.787	0.927	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CCO[C@](C)(C#N)C2)c1	ZINC000887690134	667901472	/nfs/dbraw/zinc/90/14/72/667901472.db2.gz	HCDSSQYLCRHBCD-IVZQSRNASA-N	-1	0	322.386	0.944	20	30		DCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)CCOC1	ZINC000755583039	668062348	/nfs/dbraw/zinc/06/23/48/668062348.db2.gz	RTIPFNYIZZIAFR-AWEZNQCLSA-N	-1	0	308.359	0.931	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnc(O[C@@H]2CCOC2)c1	ZINC000755605023	668062666	/nfs/dbraw/zinc/06/26/66/668062666.db2.gz	XEHCEKNLJOJUDE-OLZOCXBDSA-N	-1	0	315.329	0.874	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000839759414	668140861	/nfs/dbraw/zinc/14/08/61/668140861.db2.gz	ZCNAOWTXEZZKGH-RYUDHWBXSA-N	-1	0	303.366	0.314	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(CS(C)(=O)=O)c1	ZINC000762051481	668344940	/nfs/dbraw/zinc/34/49/40/668344940.db2.gz	AXDUZFDKXGOQNR-UHFFFAOYSA-N	-1	0	311.359	0.944	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1	ZINC000763032540	668392951	/nfs/dbraw/zinc/39/29/51/668392951.db2.gz	BNYVJJGYHHJFNF-UHFFFAOYSA-N	-1	0	309.347	0.462	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cc3n(n2)CCCO3)CCC1	ZINC000764073297	668433388	/nfs/dbraw/zinc/43/33/88/668433388.db2.gz	DQCWGQCDKOLHIL-UHFFFAOYSA-N	-1	0	324.362	0.419	20	30		DCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000764205858	668439031	/nfs/dbraw/zinc/43/90/31/668439031.db2.gz	FHKRKQTVPVZNPD-JTQLQIEISA-N	-1	0	312.347	0.683	20	30		DCEDRM
O=C([O-])Cn1cc(C=NNC(=S)NC2CCCCC2)nn1	ZINC000768476588	668611364	/nfs/dbraw/zinc/61/13/64/668611364.db2.gz	RBYFPUGVWQHLPV-UHFFFAOYSA-N	-1	0	310.383	0.493	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)NCCO[C@H]1CCOC1)C(=O)[O-]	ZINC000929016729	668645138	/nfs/dbraw/zinc/64/51/38/668645138.db2.gz	HQMOSJNAFFPUQI-VHSXEESVSA-N	-1	0	306.746	0.687	20	30		DCEDRM
C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cc(=O)[n-]c(OC)n1	ZINC000770520962	668699048	/nfs/dbraw/zinc/69/90/48/668699048.db2.gz	KLSUHQJSZDWDDQ-SNVBAGLBSA-N	-1	0	321.333	0.937	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000770728908	668709593	/nfs/dbraw/zinc/70/95/93/668709593.db2.gz	ROAHZRDJPWKFSZ-UHFFFAOYSA-N	-1	0	308.301	0.890	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc([S@@](C)=O)c1	ZINC000770837922	668718807	/nfs/dbraw/zinc/71/88/07/668718807.db2.gz	DLFTVTJRLUJZJL-LAJNKCICSA-N	-1	0	308.359	0.509	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nn(CC)c2ccccc2c1=O	ZINC000772712799	668781891	/nfs/dbraw/zinc/78/18/91/668781891.db2.gz	FQXBFVKSVQUCFY-UHFFFAOYSA-N	-1	0	321.358	0.662	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccccc1SCC(N)=O	ZINC000772712732	668781932	/nfs/dbraw/zinc/78/19/32/668781932.db2.gz	FGSOJVWAWWKXEI-UHFFFAOYSA-N	-1	0	314.388	0.510	20	30		DCEDRM
CCCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776116162	668871074	/nfs/dbraw/zinc/87/10/74/668871074.db2.gz	JANBRFDMKVRFKA-LLVKDONJSA-N	-1	0	315.395	0.527	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000776118440	668871251	/nfs/dbraw/zinc/87/12/51/668871251.db2.gz	OLNCEMQZIZOHHP-UHFFFAOYSA-N	-1	0	307.331	0.687	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccnc(-n2cccn2)c1	ZINC000776122237	668871294	/nfs/dbraw/zinc/87/12/94/668871294.db2.gz	DKBKKIGLUUJNPR-UHFFFAOYSA-N	-1	0	319.346	0.631	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)s1	ZINC000776123582	668871493	/nfs/dbraw/zinc/87/14/93/668871493.db2.gz	PDUIHIBAGPJJNG-UHFFFAOYSA-N	-1	0	301.349	0.210	20	30		DCEDRM
CCOC(=O)C1(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC1	ZINC000776136883	668871544	/nfs/dbraw/zinc/87/15/44/668871544.db2.gz	PBAYBZZKPWGHTJ-UHFFFAOYSA-N	-1	0	302.352	0.325	20	30		DCEDRM
Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c2n1	ZINC000776138274	668871721	/nfs/dbraw/zinc/87/17/21/668871721.db2.gz	HARALPAQXMZTTF-UHFFFAOYSA-N	-1	0	321.362	0.647	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)Cc1ccccc1C#N)C(=O)[O-]	ZINC000776589134	668878565	/nfs/dbraw/zinc/87/85/65/668878565.db2.gz	UHKGRDKJNHGSHH-ZDUSSCGKSA-N	-1	0	324.358	0.800	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-]	ZINC000776596102	668879067	/nfs/dbraw/zinc/87/90/67/668879067.db2.gz	CQRXMNDAVUBPDO-VIFPVBQESA-N	-1	0	316.335	0.499	20	30		DCEDRM
N#CC1(c2ccc(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)cc2)CC1	ZINC000777391182	668886842	/nfs/dbraw/zinc/88/68/42/668886842.db2.gz	IHZQTVLCTAOZNS-CYBMUJFWSA-N	-1	0	324.344	0.969	20	30		DCEDRM
O=C([O-])c1cc(C=NNc2nc3[nH][nH]cc-3c(=O)n2)ccc1O	ZINC000777437109	668887390	/nfs/dbraw/zinc/88/73/90/668887390.db2.gz	OCBPTDDMYQDDFC-UHFFFAOYSA-N	-1	0	314.261	0.282	20	30		DCEDRM
O=C([O-])COc1ccc(C=NN2CCCNC2=O)cc1[N+](=O)[O-]	ZINC000777903368	668892765	/nfs/dbraw/zinc/89/27/65/668892765.db2.gz	XAYSMZNLESBABG-UHFFFAOYSA-N	-1	0	322.277	0.807	20	30		DCEDRM
C=CCC[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1	ZINC000778725437	668903121	/nfs/dbraw/zinc/90/31/21/668903121.db2.gz	RRWDLNOEOFKMEH-LBPRGKRZSA-N	-1	0	310.375	0.668	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000779197404	668908309	/nfs/dbraw/zinc/90/83/09/668908309.db2.gz	SQBWXKITJQDSMB-VIFPVBQESA-N	-1	0	317.257	0.925	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1	ZINC000780313568	668978482	/nfs/dbraw/zinc/97/84/82/668978482.db2.gz	PZIZNGSPMHCPGV-NTZNESFSSA-N	-1	0	316.361	0.764	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)cc1	ZINC000781505317	669047447	/nfs/dbraw/zinc/04/74/47/669047447.db2.gz	ZIOFYIIICVYIQY-ZDUSSCGKSA-N	-1	0	308.359	0.726	20	30		DCEDRM
COC[C@H](C#N)OC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000785157931	669239061	/nfs/dbraw/zinc/23/90/61/669239061.db2.gz	DCDGTSLLRSFRJX-VIFPVBQESA-N	-1	0	316.310	0.893	20	30		DCEDRM
COCCN(CCC#N)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000931892079	669283291	/nfs/dbraw/zinc/28/32/91/669283291.db2.gz	AXWHGBCWOGPVIG-UHFFFAOYSA-N	-1	0	308.382	0.764	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1cccc(N2CCCC2=O)c1	ZINC000786474521	669314552	/nfs/dbraw/zinc/31/45/52/669314552.db2.gz	QQKBCUXGOMZTMJ-UHFFFAOYSA-N	-1	0	322.386	0.988	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1	ZINC000786961342	669344388	/nfs/dbraw/zinc/34/43/88/669344388.db2.gz	MHDOJMNWFVCUFG-OUAUKWLOSA-N	-1	0	302.334	0.603	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000787347895	669369416	/nfs/dbraw/zinc/36/94/16/669369416.db2.gz	YDHMZXNWFLKDRZ-NSHDSACASA-N	-1	0	305.334	0.820	20	30		DCEDRM
C#CCn1cc(C[N-]S(=O)(=O)N=S(=O)(CC)CC)cn1	ZINC000882347128	669506414	/nfs/dbraw/zinc/50/64/14/669506414.db2.gz	CMDZUAJLOBAKSC-UHFFFAOYSA-N	-1	0	318.424	0.359	20	30		DCEDRM
CCOC(=O)C(C)(C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000805915418	669542026	/nfs/dbraw/zinc/54/20/26/669542026.db2.gz	FFQJWYNKXVXLMS-UHFFFAOYSA-N	-1	0	316.379	0.716	20	30		DCEDRM
O=C([O-])Cn1cc(CN=Nc2cccc(F)c2[N+](=O)[O-])nn1	ZINC000790308593	669548662	/nfs/dbraw/zinc/54/86/62/669548662.db2.gz	IRHBRYWKFGOYSD-UHFFFAOYSA-N	-1	0	308.229	0.856	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cn1ccc2ccccc2c1=O	ZINC000790789429	669577022	/nfs/dbraw/zinc/57/70/22/669577022.db2.gz	ZZFILHSLPDPYGE-UHFFFAOYSA-N	-1	0	306.343	0.634	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(C)c1-n1cccc1	ZINC000791111148	669594110	/nfs/dbraw/zinc/59/41/10/669594110.db2.gz	OOQOSSQPJTXFAH-UHFFFAOYSA-N	-1	0	306.347	0.294	20	30		DCEDRM
COc1cncc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)n1	ZINC000791769317	669628638	/nfs/dbraw/zinc/62/86/38/669628638.db2.gz	KXLYVXHCWNVIRQ-NSHDSACASA-N	-1	0	320.349	0.739	20	30		DCEDRM
CC[C@H](NN=C1C(=O)Nc2cc3c(cc21)OCCCO3)C(=O)[O-]	ZINC000793058519	669699713	/nfs/dbraw/zinc/69/97/13/669699713.db2.gz	VDZYKHVYDZNMFZ-VIFPVBQESA-N	-1	0	319.317	0.957	20	30		DCEDRM
CC[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCO1	ZINC000793202166	669707527	/nfs/dbraw/zinc/70/75/27/669707527.db2.gz	WHSDESPIWAMXFZ-WDEREUQCSA-N	-1	0	300.380	0.941	20	30		DCEDRM
Cc1cn2ccnc(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)c2n1	ZINC000793206003	669707646	/nfs/dbraw/zinc/70/76/46/669707646.db2.gz	UHLSHXOHLJCRGS-UHFFFAOYSA-N	-1	0	319.346	0.401	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)o2)nc1C	ZINC000797012421	669952892	/nfs/dbraw/zinc/95/28/92/669952892.db2.gz	JWFMFKKKVLVXAO-UHFFFAOYSA-N	-1	0	308.319	0.795	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2cncnc2)CCC1	ZINC000797099958	669956061	/nfs/dbraw/zinc/95/60/61/669956061.db2.gz	SWGITCNPIBGQLP-UHFFFAOYSA-N	-1	0	308.363	0.549	20	30		DCEDRM
Cc1c(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cnn1C	ZINC000797100708	669956262	/nfs/dbraw/zinc/95/62/62/669956262.db2.gz	WRRQULHXOPEXIB-UHFFFAOYSA-N	-1	0	310.379	0.411	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000798203320	669992038	/nfs/dbraw/zinc/99/20/38/669992038.db2.gz	XZKMEURWDBFCFY-UHFFFAOYSA-N	-1	0	312.303	0.686	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1)n1cnc(C#N)n1	ZINC000798811684	670025376	/nfs/dbraw/zinc/02/53/76/670025376.db2.gz	DZXWWUKPYAPHGV-SECBINFHSA-N	-1	0	305.319	0.216	20	30		DCEDRM
COc1ccccc1CO[N-]C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000799095036	670039402	/nfs/dbraw/zinc/03/94/02/670039402.db2.gz	VTHPYBJCFNJNAH-JTQLQIEISA-N	-1	0	301.306	0.967	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)CCn2ccnn2)cc1	ZINC000802030716	670148224	/nfs/dbraw/zinc/14/82/24/670148224.db2.gz	PJDLNOWRYSBLEW-UHFFFAOYSA-N	-1	0	319.346	0.186	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cncc(OCCOC)c1	ZINC000802040375	670149104	/nfs/dbraw/zinc/14/91/04/670149104.db2.gz	LPVZDNVPMZTZQT-CYBMUJFWSA-N	-1	0	321.333	0.192	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC	ZINC000802155297	670153209	/nfs/dbraw/zinc/15/32/09/670153209.db2.gz	NSFLXKCZLGAMDT-MNOVXSKESA-N	-1	0	321.395	0.613	20	30		DCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)ccn1	ZINC000803012679	670233114	/nfs/dbraw/zinc/23/31/14/670233114.db2.gz	LHMQCJYCCKEGAP-SNVBAGLBSA-N	-1	0	309.347	0.439	20	30		DCEDRM
N#Cc1cccc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)n1	ZINC000809959125	670469228	/nfs/dbraw/zinc/46/92/28/670469228.db2.gz	BSMLDAMUZJYKCF-UHFFFAOYSA-N	-1	0	313.317	0.853	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)cc1	ZINC000810517486	670488210	/nfs/dbraw/zinc/48/82/10/670488210.db2.gz	PMOVZTLIWPRWLB-UHFFFAOYSA-N	-1	0	312.310	0.944	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(-c2cccc(C)c2)nn1	ZINC000810774953	670496900	/nfs/dbraw/zinc/49/69/00/670496900.db2.gz	RDWBJXLBSQDIEL-UHFFFAOYSA-N	-1	0	318.358	0.659	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-c2nc[nH]n2)cc1	ZINC000810774210	670496982	/nfs/dbraw/zinc/49/69/82/670496982.db2.gz	UXVSSLOZDQOTOG-UHFFFAOYSA-N	-1	0	304.331	0.555	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-]	ZINC000810773639	670497036	/nfs/dbraw/zinc/49/70/36/670497036.db2.gz	JNSHGENTVYBOPJ-UHFFFAOYSA-N	-1	0	312.303	0.686	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-n2cccc2)nc1	ZINC000810775589	670497152	/nfs/dbraw/zinc/49/71/52/670497152.db2.gz	LWYCJQGQRIITFC-UHFFFAOYSA-N	-1	0	303.343	0.955	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(OC)cc1	ZINC000810778876	670497458	/nfs/dbraw/zinc/49/74/58/670497458.db2.gz	PZLPRDLOXRCOTE-NSHDSACASA-N	-1	0	311.359	0.932	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CN(C)C(=O)c2ccccc21	ZINC000810780630	670497558	/nfs/dbraw/zinc/49/75/58/670497558.db2.gz	KPOIRMUDQWDRSE-CYBMUJFWSA-N	-1	0	320.370	0.325	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(O[C@@H]2CCOC2)c1	ZINC000810781682	670497827	/nfs/dbraw/zinc/49/78/27/670497827.db2.gz	IIFBSDCZANMTSI-GFCCVEGCSA-N	-1	0	324.358	0.332	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)N1CCc2ccccc2C1	ZINC000810784826	670498039	/nfs/dbraw/zinc/49/80/39/670498039.db2.gz	PEQMWEUSGSMCJA-CYBMUJFWSA-N	-1	0	320.414	0.903	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)COC2CCOCC2)CC1	ZINC000810987427	670502345	/nfs/dbraw/zinc/50/23/45/670502345.db2.gz	LRWJNKQNIODZKZ-UHFFFAOYSA-N	-1	0	303.380	0.737	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC	ZINC000811142700	670509264	/nfs/dbraw/zinc/50/92/64/670509264.db2.gz	SJLHSWSNMIHVHO-UHFFFAOYSA-N	-1	0	303.380	0.681	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-n2cnnn2)cn1	ZINC000847620508	670582471	/nfs/dbraw/zinc/58/24/71/670582471.db2.gz	AQLTVXQSSCZZOC-NSHDSACASA-N	-1	0	311.305	0.002	20	30		DCEDRM
C#CC[N@H+](C)CCCNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000854662815	670606791	/nfs/dbraw/zinc/60/67/91/670606791.db2.gz	NHRYBLURHFAFBA-UHFFFAOYSA-N	-1	0	314.345	0.715	20	30		DCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000813059039	670608967	/nfs/dbraw/zinc/60/89/67/670608967.db2.gz	SIKSALPQRAGIFB-UHFFFAOYSA-N	-1	0	320.334	0.161	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)nnn2C	ZINC000103797842	670653414	/nfs/dbraw/zinc/65/34/14/670653414.db2.gz	HUIQHVHATAPJCB-NSHDSACASA-N	-1	0	315.333	0.443	20	30		DCEDRM
CCn1cc(CC(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)cn1	ZINC000813983567	670668244	/nfs/dbraw/zinc/66/82/44/670668244.db2.gz	BZEGXUVOCDPIPK-UHFFFAOYSA-N	-1	0	319.346	0.217	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cc(C#N)cn1C	ZINC000813989837	670669695	/nfs/dbraw/zinc/66/96/95/670669695.db2.gz	UNWAJUYJYQLYBS-UHFFFAOYSA-N	-1	0	307.335	0.057	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000813991310	670670533	/nfs/dbraw/zinc/67/05/33/670670533.db2.gz	DYQDIFPKESGDFN-UHFFFAOYSA-N	-1	0	301.368	0.516	20	30		DCEDRM
C#CCOc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1OCC	ZINC000814231328	670681837	/nfs/dbraw/zinc/68/18/37/670681837.db2.gz	CWQGOPANCUKUMQ-UHFFFAOYSA-N	-1	0	302.290	0.982	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000848609271	670704750	/nfs/dbraw/zinc/70/47/50/670704750.db2.gz	ZJCZWSDJBGEXDJ-LLVKDONJSA-N	-1	0	318.329	0.152	20	30		DCEDRM
CC(=NNC(=S)NCC(N)=O)c1cc(C(=O)[O-])cs1	ZINC000814844659	670704756	/nfs/dbraw/zinc/70/47/56/670704756.db2.gz	MYYSQFOQXJLCAY-UHFFFAOYSA-N	-1	0	300.365	0.120	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1	ZINC000848611753	670705596	/nfs/dbraw/zinc/70/55/96/670705596.db2.gz	SJANRCRMTYHIOZ-CQSZACIVSA-N	-1	0	316.357	0.757	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1OC(F)F	ZINC000849219372	670765704	/nfs/dbraw/zinc/76/57/04/670765704.db2.gz	RRBPUEDLEWSMFH-UHFFFAOYSA-N	-1	0	319.285	0.997	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(C)nn(C(C)C)c1C	ZINC000849219174	670765966	/nfs/dbraw/zinc/76/59/66/670765966.db2.gz	LKWIYFQTZHRFOJ-UHFFFAOYSA-N	-1	0	313.379	0.789	20	30		DCEDRM
Cn1cnc(S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)c1Cl	ZINC000815926886	670772095	/nfs/dbraw/zinc/77/20/95/670772095.db2.gz	IUOQVGGFHDOABO-UHFFFAOYSA-N	-1	0	302.743	0.572	20	30		DCEDRM
C=CCCO[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1	ZINC000856029969	670776738	/nfs/dbraw/zinc/77/67/38/670776738.db2.gz	KRQALMLELYGSFW-ZDUSSCGKSA-N	-1	0	302.334	0.731	20	30		DCEDRM
C=CCCO[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1	ZINC000856029968	670777006	/nfs/dbraw/zinc/77/70/06/670777006.db2.gz	KRQALMLELYGSFW-CYBMUJFWSA-N	-1	0	302.334	0.731	20	30		DCEDRM
CO[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)C1	ZINC000816014638	670779576	/nfs/dbraw/zinc/77/95/76/670779576.db2.gz	IICWFFIKCNNDFH-QWRGUYRKSA-N	-1	0	300.380	0.941	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(NC(=O)C(C)C)c1	ZINC000816056608	670783597	/nfs/dbraw/zinc/78/35/97/670783597.db2.gz	ZOVJWMJYAYJPLG-UHFFFAOYSA-N	-1	0	323.374	0.759	20	30		DCEDRM
CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000816095075	670786301	/nfs/dbraw/zinc/78/63/01/670786301.db2.gz	PAASNCYZMQFBJP-OLZOCXBDSA-N	-1	0	323.374	0.963	20	30		DCEDRM
C[C@@H]1C(=O)N(N=Cc2ccc(OCC(=O)[O-])cc2)C(=O)N1C	ZINC000857216780	670896851	/nfs/dbraw/zinc/89/68/51/670896851.db2.gz	CQFAYPAMQOWOTI-SECBINFHSA-N	-1	0	305.290	0.766	20	30		DCEDRM
O=C(C/N=C1/NS(=O)(=O)c2ccccc21)[N-]OCCC1CC1	ZINC000817412757	670920861	/nfs/dbraw/zinc/92/08/61/670920861.db2.gz	GWAPSEJVPLBZIZ-UHFFFAOYSA-N	-1	0	323.374	0.573	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000850730942	670936689	/nfs/dbraw/zinc/93/66/89/670936689.db2.gz	XLYXSLVOBXHLJX-ZDUSSCGKSA-N	-1	0	310.375	0.962	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000817865722	670949283	/nfs/dbraw/zinc/94/92/83/670949283.db2.gz	XOAMKJRMSMQIGG-KOLCDFICSA-N	-1	0	323.374	0.753	20	30		DCEDRM
CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@H](C)CC#N	ZINC000851017360	670961192	/nfs/dbraw/zinc/96/11/92/670961192.db2.gz	DDUPWDIEEHDSIJ-ZJUUUORDSA-N	-1	0	304.368	0.714	20	30		DCEDRM
Cn1nnc2cc(S(=O)(=O)[N-]C(=O)CCCCC#N)ccc21	ZINC000851176598	670972535	/nfs/dbraw/zinc/97/25/35/670972535.db2.gz	PQBPQXMRBKFWJU-UHFFFAOYSA-N	-1	0	321.362	0.857	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)C(COC)COC)OCC	ZINC000851503397	670994352	/nfs/dbraw/zinc/99/43/52/670994352.db2.gz	YGQONFLZCDQOBU-LBPRGKRZSA-N	-1	0	323.411	0.465	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)nn1	ZINC000819927595	671147313	/nfs/dbraw/zinc/14/73/13/671147313.db2.gz	VLBPSZLAYBCCBH-CQSZACIVSA-N	-1	0	308.338	0.608	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc2cc(OC)ccn21	ZINC000819943750	671148635	/nfs/dbraw/zinc/14/86/35/671148635.db2.gz	HZNYYYNNAKXESV-NSHDSACASA-N	-1	0	316.317	0.428	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)CCOCC1	ZINC000820067758	671162275	/nfs/dbraw/zinc/16/22/75/671162275.db2.gz	JZLHYSMFJTYWSI-NSHDSACASA-N	-1	0	303.380	0.594	20	30		DCEDRM
O=C(Cc1cc(Cl)cc2c1OCC2)N[C@@H]1CCN(O)C1=O	ZINC000820148442	671172167	/nfs/dbraw/zinc/17/21/67/671172167.db2.gz	GHSSOFIUYANEIF-LLVKDONJSA-N	-1	0	310.737	0.924	20	30		DCEDRM
Cc1ccc(-n2[n-]c(C(=O)N[C@@H]3CCN(O)C3=O)cc2=O)cc1	ZINC000820179603	671175955	/nfs/dbraw/zinc/17/59/55/671175955.db2.gz	MUJVIPYGCDZONM-LLVKDONJSA-N	-1	0	316.317	0.194	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC000853068788	671205687	/nfs/dbraw/zinc/20/56/87/671205687.db2.gz	DXKXLRIWITZLHU-GXSJLCMTSA-N	-1	0	301.368	0.476	20	30		DCEDRM
CC(=NNCC(=O)[O-])[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000853350828	671228843	/nfs/dbraw/zinc/22/88/43/671228843.db2.gz	PEBLFYAVRGXNTH-SNVBAGLBSA-N	-1	0	301.343	0.672	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C/c2ccc(C#N)cc2)c(=O)n(C)c1=O	ZINC000821012591	671246190	/nfs/dbraw/zinc/24/61/90/671246190.db2.gz	KOAAFASDERJCJZ-BQYQJAHWSA-N	-1	0	311.297	0.557	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2C)nn1	ZINC000821193078	671260806	/nfs/dbraw/zinc/26/08/06/671260806.db2.gz	QPEZVQXFRNQADG-UHFFFAOYSA-N	-1	0	324.366	0.015	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O	ZINC000821900306	671297866	/nfs/dbraw/zinc/29/78/66/671297866.db2.gz	HPGNNFLREQFYTE-LLVKDONJSA-N	-1	0	312.366	0.801	20	30		DCEDRM
C[C@@H]1CCCN(C(=O)Cn2cnc(C#N)c2-c2nn[nH]n2)C1	ZINC000824937803	671444572	/nfs/dbraw/zinc/44/45/72/671444572.db2.gz	RKVUVZUYJDUNKW-SECBINFHSA-N	-1	0	300.326	0.193	20	30		DCEDRM
CC[C@H]1CCCCN1C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000825192295	671452104	/nfs/dbraw/zinc/45/21/04/671452104.db2.gz	GHZHBKDYJQEYIF-JTQLQIEISA-N	-1	0	314.353	0.726	20	30		DCEDRM
COc1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)c1	ZINC000826216491	671482120	/nfs/dbraw/zinc/48/21/20/671482120.db2.gz	AYLRCAXWZJKROU-UHFFFAOYSA-N	-1	0	324.304	0.582	20	30		DCEDRM
COc1ccccc1C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000826218310	671482537	/nfs/dbraw/zinc/48/25/37/671482537.db2.gz	YGLPWIDUKGDOOS-UHFFFAOYSA-N	-1	0	309.289	0.826	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)[N-]OC2CCOCC2)CCCCC1	ZINC000830417612	671627806	/nfs/dbraw/zinc/62/78/06/671627806.db2.gz	NATQEXIIUPLDDC-UHFFFAOYSA-N	-1	0	309.366	0.803	20	30		DCEDRM
CSCC1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000834342661	671755823	/nfs/dbraw/zinc/75/58/23/671755823.db2.gz	GRSOQITWHGKFAC-UHFFFAOYSA-N	-1	0	322.390	0.422	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C(F)(F)F)nn1C	ZINC000835372105	671794728	/nfs/dbraw/zinc/79/47/28/671794728.db2.gz	QDEJABBMTWNROJ-UHFFFAOYSA-N	-1	0	309.269	0.522	20	30		DCEDRM
CCOC(=O)C1(CC(=O)[N-]S(=O)(=O)CCC#N)CCC1	ZINC000835408615	671795568	/nfs/dbraw/zinc/79/55/68/671795568.db2.gz	KJPWRJONMLFRFF-UHFFFAOYSA-N	-1	0	302.352	0.470	20	30		DCEDRM
COc1ccc(OCCC(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000835411170	671795842	/nfs/dbraw/zinc/79/58/42/671795842.db2.gz	DXYMAYXAQCBRGX-UHFFFAOYSA-N	-1	0	312.347	0.824	20	30		DCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)CCC#N)Cc2ccccc2C(=O)O1	ZINC000835412746	671796016	/nfs/dbraw/zinc/79/60/16/671796016.db2.gz	XDYZEXJHIPVUAC-CQSZACIVSA-N	-1	0	322.342	0.518	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCN1c1ncccn1)C(=O)[O-]	ZINC000836751085	671830649	/nfs/dbraw/zinc/83/06/49/671830649.db2.gz	OIDLIPQNCPIHSE-VXGBXAGGSA-N	-1	0	320.349	0.217	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C(=O)OC(C)(C)C	ZINC000842333299	672006187	/nfs/dbraw/zinc/00/61/87/672006187.db2.gz	HBFWYJGWQWCIAL-SECBINFHSA-N	-1	0	316.379	0.714	20	30		DCEDRM
CCOC(=O)c1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)[nH]n1	ZINC000843264186	672077132	/nfs/dbraw/zinc/07/71/32/672077132.db2.gz	GZKZBIXJQBDTPM-IHVVCDCBSA-N	-1	0	318.285	0.815	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)nn1	ZINC000843757919	672118704	/nfs/dbraw/zinc/11/87/04/672118704.db2.gz	FWJWVYRBDTXKSM-UHFFFAOYSA-N	-1	0	318.337	0.364	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn(-c2ccccc2)cn1	ZINC000845440352	672248247	/nfs/dbraw/zinc/24/82/47/672248247.db2.gz	FCOFJPLKXUOCFI-ZDUSSCGKSA-N	-1	0	312.329	0.957	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc2n1[C@@H](C)CCC2	ZINC000845439993	672248348	/nfs/dbraw/zinc/24/83/48/672248348.db2.gz	BSNQDRPQEHSQBH-QWRGUYRKSA-N	-1	0	304.350	0.865	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C(=O)NC)ccc1OC	ZINC000846150213	672297520	/nfs/dbraw/zinc/29/75/20/672297520.db2.gz	BPZBHYAOERHGKB-UHFFFAOYSA-N	-1	0	321.333	0.617	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c(C(=O)OCC)cnn1C	ZINC000846153948	672297856	/nfs/dbraw/zinc/29/78/56/672297856.db2.gz	MZFXZPOJNOTFBL-MRVPVSSYSA-N	-1	0	310.310	0.158	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	ZINC000846496974	672319296	/nfs/dbraw/zinc/31/92/96/672319296.db2.gz	SFVBWXNLGCAYDV-CQSZACIVSA-N	-1	0	316.361	0.711	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1	ZINC000846536886	672326504	/nfs/dbraw/zinc/32/65/04/672326504.db2.gz	ACRUBBCBFVJFQR-ZDUSSCGKSA-N	-1	0	320.324	0.870	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1	ZINC000846546072	672326962	/nfs/dbraw/zinc/32/69/62/672326962.db2.gz	LBYMNAUPJZZOCO-PWSUYJOCSA-N	-1	0	320.349	0.799	20	30		DCEDRM
Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cn1	ZINC000771079604	685337018	/nfs/dbraw/zinc/33/70/18/685337018.db2.gz	UVVVSTKRUBOGBR-ARJAWSKDSA-N	-1	0	308.363	0.573	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000133248710	685120411	/nfs/dbraw/zinc/12/04/11/685120411.db2.gz	DRWLXCFEVOQIBJ-JTQLQIEISA-N	-1	0	313.273	0.849	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1	ZINC000133558472	685120807	/nfs/dbraw/zinc/12/08/07/685120807.db2.gz	YATMJEJAFCSUFB-NSHDSACASA-N	-1	0	313.273	0.849	20	30		DCEDRM
C=CCn1cccc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001014732232	692081732	/nfs/dbraw/zinc/08/17/32/692081732.db2.gz	RKCPOTBHWQMDFM-NSHDSACASA-N	-1	0	316.365	0.502	20	30		DCEDRM
C#Cc1ccccc1CC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001690990837	1157392602	/nfs/dbraw/zinc/39/26/02/1157392602.db2.gz	BUNJMQKUGFWSNJ-UHFFFAOYSA-N	-1	0	313.361	0.282	20	30		DCEDRM
Cc1noc(CCC(=O)[N-]S(=O)(=O)c2ccccc2C#N)n1	ZINC001649716519	1157423431	/nfs/dbraw/zinc/42/34/31/1157423431.db2.gz	DILZJJOBHCYUEF-UHFFFAOYSA-N	-1	0	320.330	0.687	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C	ZINC001290604256	1159148361	/nfs/dbraw/zinc/14/83/61/1159148361.db2.gz	MXQQQAJDNYMBIL-NEPJUHHUSA-N	-1	0	318.377	0.946	20	30		DCEDRM
CNC(=O)N[C@H]1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001447476318	1159648795	/nfs/dbraw/zinc/64/87/95/1159648795.db2.gz	KBLSBMIWGWPMFT-JTQLQIEISA-N	-1	0	303.322	0.111	20	30		DCEDRM
COCCC(C)(C)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001447568298	1159662237	/nfs/dbraw/zinc/66/22/37/1159662237.db2.gz	MGQGLGDJNQLHPD-UHFFFAOYSA-N	-1	0	322.365	0.390	20	30		DCEDRM
C=CC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001572285526	1163089740	/nfs/dbraw/zinc/08/97/40/1163089740.db2.gz	POZUDWAFBCMINL-QMMMGPOBSA-N	-1	0	323.353	0.072	20	30		DCEDRM
C=CCCCC(=O)N(C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001572294927	1163094139	/nfs/dbraw/zinc/09/41/39/1163094139.db2.gz	ZZGPFULGCLPSHL-SECBINFHSA-N	-1	0	323.353	0.216	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)OCC	ZINC001569492050	1161076880	/nfs/dbraw/zinc/07/68/80/1161076880.db2.gz	JWWGCQBUMHGRMW-GFCCVEGCSA-N	-1	0	323.397	0.524	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cnc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC001573308459	1161554989	/nfs/dbraw/zinc/55/49/89/1161554989.db2.gz	WBWOZXCIQBAFRW-MRVPVSSYSA-N	-1	0	310.697	0.989	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1csc(C(=O)[O-])n1	ZINC001573377956	1163420035	/nfs/dbraw/zinc/42/00/35/1163420035.db2.gz	CSDUOMSNJBDLHQ-UHFFFAOYSA-N	-1	0	304.349	0.172	20	30		DCEDRM
C[C@H](NS(=O)(=O)CC(C)(C)C#N)C1(C(=O)[O-])CCOCC1	ZINC001573579222	1163509772	/nfs/dbraw/zinc/50/97/72/1163509772.db2.gz	RYVJRIUHUPRJQH-JTQLQIEISA-N	-1	0	318.395	0.725	20	30		DCEDRM
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](O)CC(=O)[O-])c1	ZINC001573659335	1163523727	/nfs/dbraw/zinc/52/37/27/1163523727.db2.gz	CMYGZDKBBBOLNN-DGCLKSJQSA-N	-1	0	306.318	0.819	20	30		DCEDRM
CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](O)CC(=O)[O-])c1	ZINC001573659334	1163524065	/nfs/dbraw/zinc/52/40/65/1163524065.db2.gz	CMYGZDKBBBOLNN-AAEUAGOBSA-N	-1	0	306.318	0.819	20	30		DCEDRM
CCC[N@H+](Cc1cc(=O)n2[n-]cc(C#N)c2n1)[C@@H](C)C(=O)[O-]	ZINC001573756802	1163545755	/nfs/dbraw/zinc/54/57/55/1163545755.db2.gz	FNMBYYLSDIMQRR-VIFPVBQESA-N	-1	0	303.322	0.992	20	30		DCEDRM
Cc1cc(C(=O)[O-])c(NC(=O)CN2CC(O)(CC#N)C2)s1	ZINC001574127197	1163643663	/nfs/dbraw/zinc/64/36/63/1163643663.db2.gz	LYGVPRVSPRKMJT-UHFFFAOYSA-N	-1	0	309.347	0.654	20	30		DCEDRM
Cn1cc(CNC(=O)CNC(=O)[O-])c(-c2ccc(C#N)cc2)n1	ZINC001574211605	1163666179	/nfs/dbraw/zinc/66/61/79/1163666179.db2.gz	DKTROEZCIWGDLW-UHFFFAOYSA-N	-1	0	313.317	0.843	20	30		DCEDRM
N#Cc1ccc(Cn2cc(NC(=O)[C@H](O)CC(=O)[O-])cn2)cc1	ZINC001574244832	1163671861	/nfs/dbraw/zinc/67/18/61/1163671861.db2.gz	ALEXMMVRKQFIQV-CYBMUJFWSA-N	-1	0	314.301	0.577	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)s1	ZINC001574245269	1163672013	/nfs/dbraw/zinc/67/20/13/1163672013.db2.gz	JQJLDNAENIVBRS-NEPJUHHUSA-N	-1	0	317.326	0.931	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(C[N@H+]1CCC[C@@H]1CC(=O)[O-])cc2=O	ZINC001574249069	1163674763	/nfs/dbraw/zinc/67/47/63/1163674763.db2.gz	QZJKLLFUAGCOHM-LLVKDONJSA-N	-1	0	301.306	0.746	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)n1	ZINC001574249831	1163674789	/nfs/dbraw/zinc/67/47/89/1163674789.db2.gz	MXDSJHNLZSTKIF-QWHCGFSZSA-N	-1	0	312.285	0.265	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NC[C@@]2(C(=O)[O-])CCCOC2)nc1	ZINC001574249988	1163675121	/nfs/dbraw/zinc/67/51/21/1163675121.db2.gz	QBNHAGIPINNONA-HNNXBMFYSA-N	-1	0	318.333	0.363	20	30		DCEDRM
C[C@@](O)(CNc1cnc(C#N)c(-c2nnn[n-]2)n1)C(F)(F)F	ZINC001575472758	1164027395	/nfs/dbraw/zinc/02/73/95/1164027395.db2.gz	JQSNPEHJLUIDJQ-SECBINFHSA-N	-1	0	314.231	0.254	20	30		DCEDRM
CC[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)[C@H](CC)CO1	ZINC001577178162	1164622963	/nfs/dbraw/zinc/62/29/63/1164622963.db2.gz	RJZZLXOHPZPENH-NXEZZACHSA-N	-1	0	314.353	0.922	20	30		DCEDRM
CCCC=C[C@H](O)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001577393654	1164682227	/nfs/dbraw/zinc/68/22/27/1164682227.db2.gz	XKPMLGKXTTZCSS-LGYSABEFSA-N	-1	0	302.298	0.117	20	30		DCEDRM
CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC001578221067	1164954618	/nfs/dbraw/zinc/95/46/18/1164954618.db2.gz	KHQNFTGLPGCYDL-SECBINFHSA-N	-1	0	315.341	0.274	20	30		DCEDRM
CN(C(=O)c1ccc(-c2nn[nH]n2)n1C)c1ccc(C#N)nc1	ZINC001578923294	1165159919	/nfs/dbraw/zinc/15/99/19/1165159919.db2.gz	XSHFXZKAUBRFED-UHFFFAOYSA-N	-1	0	308.305	0.748	20	30		DCEDRM
Cc1ccc(-c2nn[nH]n2)cc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001581135790	1165789327	/nfs/dbraw/zinc/78/93/27/1165789327.db2.gz	OVHJCBPSYIBFSR-UHFFFAOYSA-N	-1	0	319.288	0.894	20	30		DCEDRM
C=CC(C)(C)C(=O)N(CC)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001581138790	1165790169	/nfs/dbraw/zinc/79/01/69/1165790169.db2.gz	KAPYYYACJKYXQZ-UHFFFAOYSA-N	-1	0	323.353	0.073	20	30		DCEDRM
N#C[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1	ZINC001581856757	1165888930	/nfs/dbraw/zinc/88/89/30/1165888930.db2.gz	BXOUKQFTXHYUND-MELADBBJSA-N	-1	0	324.344	0.721	20	30		DCEDRM
N#Cc1nc(NC(=O)c2sccc2F)[n-]c1-c1nn[nH]n1	ZINC001581860872	1165893828	/nfs/dbraw/zinc/89/38/28/1165893828.db2.gz	XIKZTJYXJXXBLC-UHFFFAOYSA-N	-1	0	304.270	0.914	20	30		DCEDRM
N#Cc1ncc(N2CC[C@H]3CSC[C@H]3C2)nc1-c1nnn[n-]1	ZINC001581881897	1165900859	/nfs/dbraw/zinc/90/08/59/1165900859.db2.gz	DPYKOJBDUQHXJI-DTWKUNHWSA-N	-1	0	314.378	0.718	20	30		DCEDRM
N#Cc1ncc(N[C@H]2Cc3cccc(O)c3C2)nc1-c1nnn[n-]1	ZINC001581882792	1165901131	/nfs/dbraw/zinc/90/11/31/1165901131.db2.gz	HNTZZNBEFPXZNC-VIFPVBQESA-N	-1	0	320.316	0.813	20	30		DCEDRM
N#Cc1ncc(N[C@H](CO)CC2CCCC2)nc1-c1nnn[n-]1	ZINC001581882894	1165901850	/nfs/dbraw/zinc/90/18/50/1165901850.db2.gz	KVVQEYGJPKWJHY-JTQLQIEISA-N	-1	0	314.353	0.881	20	30		DCEDRM
N#Cc1ncc(N[C@H]2CCC[C@@H]2CCO)nc1-c1nnn[n-]1	ZINC001581882515	1165901894	/nfs/dbraw/zinc/90/18/94/1165901894.db2.gz	BTBSKEQFVYQAAF-BDAKNGLRSA-N	-1	0	300.326	0.491	20	30		DCEDRM
N#Cc1ncc(N2CC[C@H](c3ncccn3)C2)nc1-c1nnn[n-]1	ZINC001581881920	1165902941	/nfs/dbraw/zinc/90/29/41/1165902941.db2.gz	FJGHMWCIWLTORL-VIFPVBQESA-N	-1	0	320.320	0.312	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C)C(=O)[O-]	ZINC001588414288	1166551430	/nfs/dbraw/zinc/55/14/30/1166551430.db2.gz	KJSBOKWTPUIANF-ONGXEEELSA-N	-1	0	315.329	0.670	20	30		DCEDRM
C=CCN(C(=O)NCCn1cnc(-c2nnn[n-]2)n1)C(C)C	ZINC001588626448	1166570843	/nfs/dbraw/zinc/57/08/43/1166570843.db2.gz	ZQHZPBZJGHZXCN-UHFFFAOYSA-N	-1	0	305.346	0.064	20	30		DCEDRM
CC(=O)c1ccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)cc1	ZINC001588915238	1166615957	/nfs/dbraw/zinc/61/59/57/1166615957.db2.gz	WJSWBOVFZGIWSC-UHFFFAOYSA-N	-1	0	308.305	0.768	20	30		DCEDRM
CC(=O)c1cccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)c1	ZINC001588919585	1166617181	/nfs/dbraw/zinc/61/71/81/1166617181.db2.gz	CVWOBOFPWTUERY-UHFFFAOYSA-N	-1	0	308.305	0.768	20	30		DCEDRM
C[C@@H](C(=O)OC1(CC#N)CCC1)n1cnc(-c2nnn[n-]2)n1	ZINC001589028765	1166631302	/nfs/dbraw/zinc/63/13/02/1166631302.db2.gz	YCPVENZXDZZGDJ-QMMMGPOBSA-N	-1	0	302.298	0.399	20	30		DCEDRM
CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cnn(C)n2)o1	ZINC001589773663	1166685605	/nfs/dbraw/zinc/68/56/05/1166685605.db2.gz	IDQKQISIXREUMH-UHFFFAOYSA-N	-1	0	302.302	0.553	20	30		DCEDRM
CC1(C)CCC[C@@H](Cn2c(N)nc(-c3nnn[n-]3)c2C#N)O1	ZINC001590093573	1166772120	/nfs/dbraw/zinc/77/21/20/1166772120.db2.gz	KDFVRZXLCCTQRX-QMMMGPOBSA-N	-1	0	302.342	0.865	20	30		DCEDRM
CCOC1CC(N(C)c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001590790632	1167021474	/nfs/dbraw/zinc/02/14/74/1167021474.db2.gz	CSELYYGWZPLBFF-UHFFFAOYSA-N	-1	0	300.326	0.532	20	30		DCEDRM
COC(=O)CC1CC(N=Nc2oc(C)nc2-c2nnn[n-]2)C1	ZINC001591261005	1167183113	/nfs/dbraw/zinc/18/31/13/1167183113.db2.gz	JCLXLTOKTLOTJS-UHFFFAOYSA-N	-1	0	305.298	0.904	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001592113673	1167458404	/nfs/dbraw/zinc/45/84/04/1167458404.db2.gz	YFOCFWHRTICTDJ-SECBINFHSA-N	-1	0	323.320	0.838	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1nc(C2CCC2)no1	ZINC001592335687	1167493357	/nfs/dbraw/zinc/49/33/57/1167493357.db2.gz	IBLTZMCOHDEGHF-UHFFFAOYSA-N	-1	0	311.309	0.942	20	30		DCEDRM
N#Cc1cc(Cl)ccc1Cn1cncc(-c2nnn[n-]2)c1=O	ZINC001592688291	1167601819	/nfs/dbraw/zinc/60/18/19/1167601819.db2.gz	NRAQKFICXCMTAZ-UHFFFAOYSA-N	-1	0	313.708	0.997	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCc3n[nH]cc3C2)nc1-c1nnn[n-]1	ZINC001592710295	1167609344	/nfs/dbraw/zinc/60/93/44/1167609344.db2.gz	LLKKWRMIXMISCJ-MRVPVSSYSA-N	-1	0	308.309	0.221	20	30		DCEDRM
N#Cc1ncc(NCCc2ccccc2O)nc1-c1nnn[n-]1	ZINC001592710671	1167609782	/nfs/dbraw/zinc/60/97/82/1167609782.db2.gz	UBDVOIHYSIAUMX-UHFFFAOYSA-N	-1	0	308.305	0.889	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2ccc(C#N)cn2)[C@@H](C(=O)[O-])C1	ZINC001598798928	1168042789	/nfs/dbraw/zinc/04/27/89/1168042789.db2.gz	RUFIKZJBOBEGCC-ZYHUDNBSSA-N	-1	0	317.301	0.432	20	30		DCEDRM
Cc1c(C(=O)[O-])csc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1	ZINC001599999962	1168085504	/nfs/dbraw/zinc/08/55/04/1168085504.db2.gz	AQONEPAGKNYFLI-QMMMGPOBSA-N	-1	0	323.330	0.444	20	30		DCEDRM
Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001600060660	1168109064	/nfs/dbraw/zinc/10/90/64/1168109064.db2.gz	USKWQJQNTJYOKX-UHFFFAOYSA-N	-1	0	318.333	0.182	20	30		DCEDRM
Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1	ZINC001600076017	1168112222	/nfs/dbraw/zinc/11/22/22/1168112222.db2.gz	XEEOJNMLOZVOPN-IQIPOGNMSA-N	-1	0	315.333	0.437	20	30		DCEDRM
Cc1cc(C)cc(C(=O)NCC(=O)N(CC#N)CC(=O)[O-])c1	ZINC001600168482	1168129153	/nfs/dbraw/zinc/12/91/53/1168129153.db2.gz	VOVJZXXUXFYFDG-UHFFFAOYSA-N	-1	0	303.318	0.470	20	30		DCEDRM
Cc1cncc(CCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001600628652	1168220448	/nfs/dbraw/zinc/22/04/48/1168220448.db2.gz	KLVOBLDMHTZXKC-UHFFFAOYSA-N	-1	0	317.349	0.728	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)ccc1C#N	ZINC001600710919	1168260235	/nfs/dbraw/zinc/26/02/35/1168260235.db2.gz	WBFOPFASMASLTH-GXSJLCMTSA-N	-1	0	316.317	0.522	20	30		DCEDRM
Cc1oc(C(=O)N(CC#N)CC(=O)[O-])cc1S(C)(=O)=O	ZINC001600822354	1168476272	/nfs/dbraw/zinc/47/62/72/1168476272.db2.gz	SMDKYVGBKIOTKW-UHFFFAOYSA-N	-1	0	300.292	0.042	20	30		DCEDRM
Cc1onc2c1c(C(=O)[O-])nn(CN(C)[C@H](C)CC#N)c2=O	ZINC001600864415	1168492921	/nfs/dbraw/zinc/49/29/21/1168492921.db2.gz	MWTHELYORRAVFP-SSDOTTSWSA-N	-1	0	305.294	0.583	20	30		DCEDRM
Cn1cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)ccc1=O	ZINC001600963158	1168534735	/nfs/dbraw/zinc/53/47/35/1168534735.db2.gz	MERKVARRIBLQIU-UHFFFAOYSA-N	-1	0	304.306	0.608	20	30		DCEDRM
Cn1cnc2c1nccc2C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001600991861	1168549593	/nfs/dbraw/zinc/54/95/93/1168549593.db2.gz	PRTMMROPGIASGJ-UHFFFAOYSA-N	-1	0	313.317	0.799	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC001601034033	1168573040	/nfs/dbraw/zinc/57/30/40/1168573040.db2.gz	JSGBYMXPGOXAAB-LBPRGKRZSA-N	-1	0	302.265	0.987	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCC(=O)N2CCCC2)CC1	ZINC001601051071	1168577702	/nfs/dbraw/zinc/57/77/02/1168577702.db2.gz	AZKILRWBWQLVRN-UHFFFAOYSA-N	-1	0	308.338	0.009	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)CNC(=O)C2CCCCC2)CC1	ZINC001601051192	1168577706	/nfs/dbraw/zinc/57/77/06/1168577706.db2.gz	FSEUAGOXBVIVLU-UHFFFAOYSA-N	-1	0	321.377	0.900	20	30		DCEDRM
N#C[C@@]1(F)CCN(S(=O)(=O)C2CCC(C(=O)[O-])CC2)C1	ZINC001601056925	1168578070	/nfs/dbraw/zinc/57/80/70/1168578070.db2.gz	FJLBQDIJLYMPNM-CBINBANVSA-N	-1	0	304.343	0.897	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(Cc2cccc(S(N)(=O)=O)c2)CC1	ZINC001601052875	1168578539	/nfs/dbraw/zinc/57/85/39/1168578539.db2.gz	YLAXPBCRGCNBNM-UHFFFAOYSA-N	-1	0	323.374	0.524	20	30		DCEDRM
N#CC1(c2ccc(C(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])cc2)CC1	ZINC001601057644	1168578805	/nfs/dbraw/zinc/57/88/05/1168578805.db2.gz	BKIRDLWFAOXJHT-CHWSQXEVSA-N	-1	0	300.314	0.902	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])CCO1	ZINC001601060619	1168578876	/nfs/dbraw/zinc/57/88/76/1168578876.db2.gz	FNLCDKKWCABFJQ-KGLIPLIRSA-N	-1	0	317.345	0.864	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1	ZINC001601057682	1168578995	/nfs/dbraw/zinc/57/89/95/1168578995.db2.gz	DZUROKFOFGPFBT-MEBBXXQBSA-N	-1	0	323.324	0.164	20	30		DCEDRM
N#CC[C@H](NC(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1)C(F)(F)F	ZINC001601061917	1168579270	/nfs/dbraw/zinc/57/92/70/1168579270.db2.gz	JMECCOOBWYYWRT-CIUDSAMLSA-N	-1	0	323.271	0.867	20	30		DCEDRM
N#CCC1(CNC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CC1	ZINC001601062401	1168580017	/nfs/dbraw/zinc/58/00/17/1168580017.db2.gz	PROQNTINGCLKKC-XHDPSFHLSA-N	-1	0	307.350	0.813	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(C(F)(F)F)c(=O)[nH]1	ZINC001601069549	1168580404	/nfs/dbraw/zinc/58/04/04/1168580404.db2.gz	NHEFDGVRXBSYFV-UHFFFAOYSA-N	-1	0	303.196	0.856	20	30		DCEDRM
N#CCCc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC001601068777	1168580494	/nfs/dbraw/zinc/58/04/94/1168580494.db2.gz	PZWYQLXZICLGHO-DGCLKSJQSA-N	-1	0	324.358	0.351	20	30		DCEDRM
N#CCN1CCC(CNS(=O)(=O)C2(C(=O)[O-])CCC2)CC1	ZINC001601073307	1168581475	/nfs/dbraw/zinc/58/14/75/1168581475.db2.gz	OFIHEVUUILOWTE-UHFFFAOYSA-N	-1	0	315.395	0.149	20	30		DCEDRM
N#CCNCCN(CCc1ccccc1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001601074836	1168582423	/nfs/dbraw/zinc/58/24/23/1168582423.db2.gz	SKDLAOYRZJDFAI-GJZGRUSLSA-N	-1	0	315.373	0.892	20	30		DCEDRM
N#CCNC(=O)CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC001601074488	1168582425	/nfs/dbraw/zinc/58/24/25/1168582425.db2.gz	AUZIHFRWHBKCNS-UHFFFAOYSA-N	-1	0	302.290	0.050	20	30		DCEDRM
N#Cc1c(CN2CCSC[C@@H]2C(N)=O)cccc1C(=O)[O-]	ZINC001601081609	1168582874	/nfs/dbraw/zinc/58/28/74/1168582874.db2.gz	JCWBWFVOYHBWKY-GFCCVEGCSA-N	-1	0	305.359	0.659	20	30		DCEDRM
N#C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC001601079719	1168583048	/nfs/dbraw/zinc/58/30/48/1168583048.db2.gz	LHARHNSNMVCUHE-ZYHUDNBSSA-N	-1	0	301.302	0.989	20	30		DCEDRM
N#Cc1cc(Br)cnc1N1CC[C@@](O)(C(=O)[O-])C1	ZINC001601085277	1168583608	/nfs/dbraw/zinc/58/36/08/1168583608.db2.gz	YQNAUVBEWJUKOG-NSHDSACASA-N	-1	0	312.123	0.742	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])nc1Cl	ZINC001601092402	1168584092	/nfs/dbraw/zinc/58/40/92/1168584092.db2.gz	MTBZNVVVMNCDOQ-VIFPVBQESA-N	-1	0	309.709	0.922	20	30		DCEDRM
N#Cc1cc(N2CC[C@@](O)(C(=O)[O-])C2)ncc1Br	ZINC001601090353	1168584220	/nfs/dbraw/zinc/58/42/20/1168584220.db2.gz	WDJGGYHFCYLCFP-NSHDSACASA-N	-1	0	312.123	0.742	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)s1	ZINC001601092607	1168584198	/nfs/dbraw/zinc/58/41/98/1168584198.db2.gz	OODAOEVSWOSXCU-UHFFFAOYSA-N	-1	0	303.303	0.607	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c(F)c1	ZINC001601099540	1168584736	/nfs/dbraw/zinc/58/47/36/1168584736.db2.gz	BTILWAJGTBBTFE-RYUDHWBXSA-N	-1	0	321.308	0.674	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)[C@H]2CCCS2(=O)=O)C(=O)[O-])cc1	ZINC001601095777	1168584789	/nfs/dbraw/zinc/58/47/89/1168584789.db2.gz	BZPLQQZPECDUEB-VXGBXAGGSA-N	-1	0	323.326	0.804	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)nc1	ZINC001601100764	1168585421	/nfs/dbraw/zinc/58/54/21/1168585421.db2.gz	XYVJPPJQISIYEB-WCQYABFASA-N	-1	0	303.318	0.839	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)nc1	ZINC001601107639	1168586482	/nfs/dbraw/zinc/58/64/82/1168586482.db2.gz	AYCSYUZDSJDLSX-PJXYFTJBSA-N	-1	0	315.333	0.337	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCc2cn(CC(=O)[O-])nn2)cc1	ZINC001601111114	1168586858	/nfs/dbraw/zinc/58/68/58/1168586858.db2.gz	SVBWMNQGDLMQOK-UHFFFAOYSA-N	-1	0	320.330	0.251	20	30		DCEDRM
N#Cc1cnc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c(Cl)c1	ZINC001601129255	1168589819	/nfs/dbraw/zinc/58/98/19/1168589819.db2.gz	TXKIUHIPBMIKIX-JTQLQIEISA-N	-1	0	319.708	0.755	20	30		DCEDRM
N#Cc1cnccc1N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001601131809	1168592478	/nfs/dbraw/zinc/59/24/78/1168592478.db2.gz	RXLHUWISSZYDJU-KXNHARMFSA-N	-1	0	300.318	0.155	20	30		DCEDRM
N#Cc1nccc(NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1	ZINC001601133967	1168592579	/nfs/dbraw/zinc/59/25/79/1168592579.db2.gz	AQJFGVARGXIDFK-BDAKNGLRSA-N	-1	0	301.306	0.130	20	30		DCEDRM
N#Cc1nccn1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC001601134982	1168593209	/nfs/dbraw/zinc/59/32/09/1168593209.db2.gz	FIXDXFUJHVLODO-CYBMUJFWSA-N	-1	0	310.313	0.793	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC001601135818	1168594611	/nfs/dbraw/zinc/59/46/11/1168594611.db2.gz	PLHOODXAXDWUJN-LLVKDONJSA-N	-1	0	316.360	0.532	20	30		DCEDRM
O=C([O-])c1nccc(N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1	ZINC001602574751	1169123652	/nfs/dbraw/zinc/12/36/52/1169123652.db2.gz	LDVRUFWKTSMCRD-GFCCVEGCSA-N	-1	0	314.345	0.413	20	30		DCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC001602670072	1169155440	/nfs/dbraw/zinc/15/54/40/1169155440.db2.gz	MOWZSGHMLAVFIY-MRVPVSSYSA-N	-1	0	320.301	0.478	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1	ZINC001602676533	1169156751	/nfs/dbraw/zinc/15/67/51/1169156751.db2.gz	AGZOJVYLSOHNCF-KBPBESRZSA-N	-1	0	320.389	0.962	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)[C@H]1CCCO1	ZINC001602678571	1169157078	/nfs/dbraw/zinc/15/70/78/1169157078.db2.gz	NMLSFZMNEKAAQI-GHMZBOCLSA-N	-1	0	313.331	0.745	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC001602682096	1169157089	/nfs/dbraw/zinc/15/70/89/1169157089.db2.gz	YGCXNKVTAPJQFQ-DTWKUNHWSA-N	-1	0	309.347	0.946	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC001602682763	1169158376	/nfs/dbraw/zinc/15/83/76/1169158376.db2.gz	FOWDRCIPUVZWMP-CYBMUJFWSA-N	-1	0	320.345	0.988	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cn(C)nc1-c1cnn(C)c1)C(=O)[O-]	ZINC001602693549	1169162659	/nfs/dbraw/zinc/16/26/59/1169162659.db2.gz	XOVVXPITMGOFAD-LLVKDONJSA-N	-1	0	301.306	0.027	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1c(F)cc(OC)cc1F)C(=O)[O-]	ZINC001602698892	1169164443	/nfs/dbraw/zinc/16/44/43/1169164443.db2.gz	ZQWMHEJEQIWPHM-SNVBAGLBSA-N	-1	0	319.285	0.728	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001602701289	1169165097	/nfs/dbraw/zinc/16/50/97/1169165097.db2.gz	DVFZPTVEICHYNI-SNVBAGLBSA-N	-1	0	322.292	0.353	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)[C@@H]1C	ZINC001602701717	1169165681	/nfs/dbraw/zinc/16/56/81/1169165681.db2.gz	UNXSIERQLPLHPP-NWDGAFQWSA-N	-1	0	316.361	0.802	20	30		DCEDRM
C#CCN(CC)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC001602719917	1169169488	/nfs/dbraw/zinc/16/94/88/1169169488.db2.gz	YBHIABHWHDVIKQ-UHFFFAOYSA-N	-1	0	304.302	0.814	20	30		DCEDRM
C#CCN(CC)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001602719273	1169169777	/nfs/dbraw/zinc/16/97/77/1169169777.db2.gz	AHARBRNWZACRBR-UHFFFAOYSA-N	-1	0	304.302	0.570	20	30		DCEDRM
C#CCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(=O)NC	ZINC001602724633	1169173603	/nfs/dbraw/zinc/17/36/03/1169173603.db2.gz	GKIWHHBGNWPGCS-UHFFFAOYSA-N	-1	0	305.290	0.264	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NCCN(CC)c1ccnc(C(=O)[O-])n1	ZINC001602726159	1169174630	/nfs/dbraw/zinc/17/46/30/1169174630.db2.gz	LVUGSEMBXRZATM-LLVKDONJSA-N	-1	0	320.349	0.156	20	30		DCEDRM
C#CCSCCNS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001602738151	1169175837	/nfs/dbraw/zinc/17/58/37/1169175837.db2.gz	LXGMOXSSBLFGOL-UHFFFAOYSA-N	-1	0	300.361	0.425	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](O)CC(=O)[O-]	ZINC001602734334	1169176004	/nfs/dbraw/zinc/17/60/04/1169176004.db2.gz	PDUVHZWQLLKERT-JTQLQIEISA-N	-1	0	310.281	0.795	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(CC)C1=O)C(=O)[O-]	ZINC001602749179	1169177905	/nfs/dbraw/zinc/17/79/05/1169177905.db2.gz	QAJDEQVLUHOONE-OTYXRUKQSA-N	-1	0	311.338	0.243	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001602749136	1169177947	/nfs/dbraw/zinc/17/79/47/1169177947.db2.gz	PBDPLCWZILIAPF-ZJUUUORDSA-N	-1	0	316.354	0.408	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CN(C)Cc1nnc(C)n1C)C(=O)[O-]	ZINC001602748675	1169178145	/nfs/dbraw/zinc/17/81/45/1169178145.db2.gz	GNTXSYXUPZYQJX-LLVKDONJSA-N	-1	0	309.370	0.091	20	30		DCEDRM
C=C(C)C[C@H](Nc1ccnc(-c2nnn[n-]2)n1)C(=O)OCC	ZINC001602756476	1169179881	/nfs/dbraw/zinc/17/98/81/1169179881.db2.gz	OQQLHJVNIDMCKB-VIFPVBQESA-N	-1	0	303.326	0.388	20	30		DCEDRM
C=C(C)Cn1c(COC)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC001602768836	1169180653	/nfs/dbraw/zinc/18/06/53/1169180653.db2.gz	OLSSNRTYWAMMDA-GHMZBOCLSA-N	-1	0	310.354	0.679	20	30		DCEDRM
C=C(CO)C(=O)N[C@@](C)(Cn1cnc2ccccc21)C(=O)[O-]	ZINC001602788295	1169184079	/nfs/dbraw/zinc/18/40/79/1169184079.db2.gz	GQPCSHLKOQOCNQ-HNNXBMFYSA-N	-1	0	303.318	0.544	20	30		DCEDRM
C=C[C@H](C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])c1ccccc1	ZINC001602801309	1169185072	/nfs/dbraw/zinc/18/50/72/1169185072.db2.gz	QBNNCLOBWJKFFT-STQMWFEESA-N	-1	0	302.330	0.758	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CCO[C@H](CC(=O)[O-])C2)n1CC(=C)C	ZINC001602820440	1169187898	/nfs/dbraw/zinc/18/78/98/1169187898.db2.gz	HMUXCRUUTFIETJ-NEPJUHHUSA-N	-1	0	322.365	0.754	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1CC1CC1	ZINC001602820669	1169188865	/nfs/dbraw/zinc/18/88/65/1169188865.db2.gz	LFVSGTDVNIYBHJ-USWWRNFRSA-N	-1	0	322.365	0.586	20	30		DCEDRM
C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])CCO2	ZINC001602856088	1169193734	/nfs/dbraw/zinc/19/37/34/1169193734.db2.gz	SXWAVGVKSKGIAV-NWDGAFQWSA-N	-1	0	322.361	0.113	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-]	ZINC001602862804	1169193996	/nfs/dbraw/zinc/19/39/96/1169193996.db2.gz	IBLKRYOUUCVASC-CMPLNLGQSA-N	-1	0	320.349	0.688	20	30		DCEDRM
C=CCOC[C@@H](NCc1nc(Br)nn1C)C(=O)[O-]	ZINC001602914863	1169204966	/nfs/dbraw/zinc/20/49/66/1169204966.db2.gz	ISBJBWRDDAJNDZ-SSDOTTSWSA-N	-1	0	319.159	0.323	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2cccc(C(=O)[O-])n2)C1=O	ZINC001602898372	1169201086	/nfs/dbraw/zinc/20/10/86/1169201086.db2.gz	QKRYFQODPOEDEV-GFCCVEGCSA-N	-1	0	303.318	0.639	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(C(=O)[O-])co1	ZINC001602902222	1169201604	/nfs/dbraw/zinc/20/16/04/1169201604.db2.gz	ULOCGINCQXAZBR-SSDOTTSWSA-N	-1	0	310.262	0.535	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1	ZINC001602906694	1169202043	/nfs/dbraw/zinc/20/20/43/1169202043.db2.gz	KPDIEGVMQAMIOB-FRRDWIJNSA-N	-1	0	324.377	0.550	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)COCc2ocnc2C(=O)[O-])C1	ZINC001602907024	1169202090	/nfs/dbraw/zinc/20/20/90/1169202090.db2.gz	UFKXQWHHEKNLIS-JTQLQIEISA-N	-1	0	310.306	0.693	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cccnc1Cl)C(=O)[O-]	ZINC001602915234	1169204455	/nfs/dbraw/zinc/20/44/55/1169204455.db2.gz	HFDJAWOAHRGSAB-QMMMGPOBSA-N	-1	0	320.754	0.669	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc([S@@](C)=O)cc1)C(=O)[O-]	ZINC001602913508	1169205015	/nfs/dbraw/zinc/20/50/15/1169205015.db2.gz	SVAVYCXJKNIZCY-XUSGNXJCSA-N	-1	0	311.359	0.810	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1nnc2ccccc2n1)C(=O)[O-]	ZINC001602915629	1169205119	/nfs/dbraw/zinc/20/51/19/1169205119.db2.gz	YGWTWJMFOSSMNU-NSHDSACASA-N	-1	0	302.290	0.410	20	30		DCEDRM
C=CCOCc1nnc(N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1C	ZINC001602920575	1169206247	/nfs/dbraw/zinc/20/62/47/1169206247.db2.gz	LGMUQNOUKTUOKG-XHDPSFHLSA-N	-1	0	322.365	0.445	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001602924695	1169209393	/nfs/dbraw/zinc/20/93/93/1169209393.db2.gz	AYFLPRZRDDGEQN-WDEREUQCSA-N	-1	0	306.318	0.554	20	30		DCEDRM
C=CCn1c(-c2cscn2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602931423	1169210278	/nfs/dbraw/zinc/21/02/78/1169210278.db2.gz	UCWMTMUMOGJRHR-SNVBAGLBSA-N	-1	0	321.362	0.877	20	30		DCEDRM
C=CCn1c(-c2cc(C)on2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602929733	1169211164	/nfs/dbraw/zinc/21/11/64/1169211164.db2.gz	AFFSMSZARUXQFM-LLVKDONJSA-N	-1	0	319.321	0.717	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001602941901	1169213942	/nfs/dbraw/zinc/21/39/42/1169213942.db2.gz	MUONPTVLGZCLOR-NEPJUHHUSA-N	-1	0	322.292	0.922	20	30		DCEDRM
C=C[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC001602944600	1169215766	/nfs/dbraw/zinc/21/57/66/1169215766.db2.gz	CTZIKAAEUGWZCT-SNVBAGLBSA-N	-1	0	306.318	0.603	20	30		DCEDRM
CC#CCN1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)C1	ZINC001602949605	1169218375	/nfs/dbraw/zinc/21/83/75/1169218375.db2.gz	PMVSWUHDODTBNV-CABCVRRESA-N	-1	0	320.389	0.422	20	30		DCEDRM
CC(=NN[C@@H]1CCCS(=O)(=O)C1)c1cc(C(=O)[O-])co1	ZINC001602990781	1169225984	/nfs/dbraw/zinc/22/59/84/1169225984.db2.gz	GWOOMMGTRAWULI-SNVBAGLBSA-N	-1	0	300.336	0.869	20	30		DCEDRM
CC(=O)Nc1nc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cs1	ZINC001603083868	1169245636	/nfs/dbraw/zinc/24/56/36/1169245636.db2.gz	PIMHSAIYICTZMO-UHFFFAOYSA-N	-1	0	322.346	0.932	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@@H](Nc1ncc(C(=O)[O-])cn1)C1CC1	ZINC001603129946	1169250177	/nfs/dbraw/zinc/25/01/77/1169250177.db2.gz	PORURHZFHVEXIM-LDYMZIIASA-N	-1	0	303.322	0.641	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001603154156	1169260202	/nfs/dbraw/zinc/26/02/02/1169260202.db2.gz	YMUASCDWKHXNHR-MCYUEQNJSA-N	-1	0	311.382	0.603	20	30		DCEDRM
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC1(C(=O)[O-])CC1	ZINC001603564689	1169322617	/nfs/dbraw/zinc/32/26/17/1169322617.db2.gz	NBYZIVYSQOKMIN-UHFFFAOYSA-N	-1	0	318.333	0.787	20	30		DCEDRM
CC(C)C#CC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001603699819	1169365359	/nfs/dbraw/zinc/36/53/59/1169365359.db2.gz	DXYLGYOSODUIHC-LBPRGKRZSA-N	-1	0	302.334	0.847	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001603713619	1169369776	/nfs/dbraw/zinc/36/97/76/1169369776.db2.gz	GTFRWXSCJKXLOA-CQSZACIVSA-N	-1	0	322.321	0.179	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2	ZINC001604060937	1169483866	/nfs/dbraw/zinc/48/38/66/1169483866.db2.gz	QMNCXMFPVZPESK-BMQDGWLCSA-N	-1	0	301.368	0.547	20	30		DCEDRM
C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)C(=O)[O-]	ZINC001604192237	1169520739	/nfs/dbraw/zinc/52/07/39/1169520739.db2.gz	XCMPSGFOFZBDEQ-ZETCQYMHSA-N	-1	0	313.291	0.465	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CCO1	ZINC001604484311	1169601930	/nfs/dbraw/zinc/60/19/30/1169601930.db2.gz	FLJWWBZGMPWVSK-MDZLAQPJSA-N	-1	0	316.379	0.574	20	30		DCEDRM
CC1(C)[C@H](O)CCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001604509062	1169608077	/nfs/dbraw/zinc/60/80/77/1169608077.db2.gz	PAMLPPFBFQRAOC-GFCCVEGCSA-N	-1	0	324.358	0.790	20	30		DCEDRM
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C[C@@H]1O	ZINC001604760407	1169672737	/nfs/dbraw/zinc/67/27/37/1169672737.db2.gz	JVYFNFLDSHYZRX-SKDRFNHKSA-N	-1	0	324.358	0.648	20	30		DCEDRM
C[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)C[C@@H](C)S1(=O)=O	ZINC001604809423	1169692630	/nfs/dbraw/zinc/69/26/30/1169692630.db2.gz	ABLXVBFRESUTDT-RKDXNWHRSA-N	-1	0	309.347	0.663	20	30		DCEDRM
COCCO[N-]C(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001605113310	1169832316	/nfs/dbraw/zinc/83/23/16/1169832316.db2.gz	OAHMWHDOIKFSTE-GFCCVEGCSA-N	-1	0	316.321	0.243	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001605419095	1169917052	/nfs/dbraw/zinc/91/70/52/1169917052.db2.gz	QILAKFRTEFRBEB-GRYCIOLGSA-N	-1	0	317.411	0.946	20	30		DCEDRM
Cc1c([C@@H](C)Nc2cnc(C#N)c(-c3nnn[n-]3)n2)cnn1C	ZINC001605483829	1169935891	/nfs/dbraw/zinc/93/58/91/1169935891.db2.gz	KETJWOGAILXRGO-SSDOTTSWSA-N	-1	0	310.325	0.743	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NC1=NO[C@H](C)C1	ZINC001605506692	1169941348	/nfs/dbraw/zinc/94/13/48/1169941348.db2.gz	LWHIIYZFMRLSHP-ZCFIWIBFSA-N	-1	0	303.282	0.128	20	30		DCEDRM
CCc1cc(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n[nH]1	ZINC001605798157	1170004148	/nfs/dbraw/zinc/00/41/48/1170004148.db2.gz	DVGRYJWEUJWWDG-UHFFFAOYSA-N	-1	0	305.338	0.872	20	30		DCEDRM
CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1nccnc1C#N	ZINC001606121714	1170082941	/nfs/dbraw/zinc/08/29/41/1170082941.db2.gz	ODPRPWGGXPQUGA-UWVGGRQHSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001606126096	1170085042	/nfs/dbraw/zinc/08/50/42/1170085042.db2.gz	ZMPYJDJBIBMOOT-VHSXEESVSA-N	-1	0	319.365	0.755	20	30		DCEDRM
CN(CCNC(=O)C#CC(C)(C)C)c1ncc(C(=O)[O-])cn1	ZINC001606131000	1170087731	/nfs/dbraw/zinc/08/77/31/1170087731.db2.gz	IPVDYLJYMBWPGO-UHFFFAOYSA-N	-1	0	304.350	0.777	20	30		DCEDRM
CNC(=O)c1cccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1	ZINC001606288281	1170150371	/nfs/dbraw/zinc/15/03/71/1170150371.db2.gz	VGNSVUQJLQAXPH-UHFFFAOYSA-N	-1	0	315.329	0.877	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCC[C@@H](F)C2)[n-]c1-c1nn[nH]n1	ZINC001606354870	1170168011	/nfs/dbraw/zinc/16/80/11/1170168011.db2.gz	WASKDHIIERTLOL-RNFRBKRXSA-N	-1	0	304.289	0.928	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC001606356059	1170169801	/nfs/dbraw/zinc/16/98/01/1170169801.db2.gz	FOGQMPWWAYYWPE-UHFFFAOYSA-N	-1	0	312.249	0.597	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)NCC2(CC#N)CC2)C[C@H]1C(=O)[O-]	ZINC001606418496	1170192806	/nfs/dbraw/zinc/19/28/06/1170192806.db2.gz	MTEKADSKWUXGCR-NXEZZACHSA-N	-1	0	309.322	0.195	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCCC#N)c1	ZINC001606531179	1170229564	/nfs/dbraw/zinc/22/95/64/1170229564.db2.gz	BDRHWKDJCUJXSK-UHFFFAOYSA-N	-1	0	312.303	0.363	20	30		DCEDRM
COC(=O)c1ccc(NC(=O)NCC#CCO)cc1C(=O)[O-]	ZINC001606597008	1170241310	/nfs/dbraw/zinc/24/13/10/1170241310.db2.gz	BCYJQUOKPLVGCR-UHFFFAOYSA-N	-1	0	306.274	0.289	20	30		DCEDRM
COC[C@@](C)(NS(=O)(=O)c1ccc(C)cc1C#N)C(=O)[O-]	ZINC001606791682	1170291032	/nfs/dbraw/zinc/29/10/32/1170291032.db2.gz	OFUYLRPPGPSHCI-CYBMUJFWSA-N	-1	0	312.347	0.635	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1ccc(C#N)nc1	ZINC001606829011	1170305150	/nfs/dbraw/zinc/30/51/50/1170305150.db2.gz	FMUCANYMBYSIMA-OAHLLOKOSA-N	-1	0	303.318	0.588	20	30		DCEDRM
COCC[C@H](C)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001606852627	1170314272	/nfs/dbraw/zinc/31/42/72/1170314272.db2.gz	PENUJOKKGFRRTE-JTQLQIEISA-N	-1	0	304.368	0.432	20	30		DCEDRM
CON=CC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1	ZINC001606996125	1170348635	/nfs/dbraw/zinc/34/86/35/1170348635.db2.gz	KWZFWCQXFLKMGG-UHFFFAOYSA-N	-1	0	300.292	0.359	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccccc2CC#N)C[C@@H](C(=O)[O-])O1	ZINC001607479171	1170463480	/nfs/dbraw/zinc/46/34/80/1170463480.db2.gz	RCEPOLSJTSWPIN-JQWIXIFHSA-N	-1	0	324.358	0.615	20	30		DCEDRM
Cc1c(C#N)c(=O)n(Cc2ccc(C(=O)[O-])o2)c(=O)n1C1CC1	ZINC001607504041	1170469407	/nfs/dbraw/zinc/46/94/07/1170469407.db2.gz	AKBUMCSEBXHJPP-UHFFFAOYSA-N	-1	0	315.285	0.865	20	30		DCEDRM
Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])ncc1C#N	ZINC001607571291	1170478545	/nfs/dbraw/zinc/47/85/45/1170478545.db2.gz	FQRQNOABBXBNMI-LBPRGKRZSA-N	-1	0	316.317	0.067	20	30		DCEDRM
Cc1cccc(S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-])c1C#N	ZINC001607862049	1170514328	/nfs/dbraw/zinc/51/43/28/1170514328.db2.gz	LXZMMSKHRFPKEQ-NSHDSACASA-N	-1	0	312.347	0.369	20	30		DCEDRM
Cc1nn(C)c2ncc(C(=O)N(CC#N)CCC(=O)[O-])cc12	ZINC001608002715	1170545403	/nfs/dbraw/zinc/54/54/03/1170545403.db2.gz	QAFQUWKVVDSTQY-UHFFFAOYSA-N	-1	0	301.306	0.717	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1	ZINC001608032279	1170553728	/nfs/dbraw/zinc/55/37/28/1170553728.db2.gz	WQQHCDHBCLQZGJ-UHFFFAOYSA-N	-1	0	320.301	0.940	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC001608031720	1170553905	/nfs/dbraw/zinc/55/39/05/1170553905.db2.gz	IYMLMKOZJWOEJC-LBPRGKRZSA-N	-1	0	321.333	0.805	20	30		DCEDRM
Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCC1(C#N)CCCC1	ZINC001608154447	1170599088	/nfs/dbraw/zinc/59/90/88/1170599088.db2.gz	AHGDHIMJKWSOEU-UHFFFAOYSA-N	-1	0	319.321	0.257	20	30		DCEDRM
N#CC1(CNS(=O)(=O)c2occc2C(=O)[O-])CCOCC1	ZINC001608175479	1170609261	/nfs/dbraw/zinc/60/92/61/1170609261.db2.gz	HHVCDCGPTFJWOT-UHFFFAOYSA-N	-1	0	314.319	0.576	20	30		DCEDRM
N#CCc1ccccc1C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001608189125	1170612883	/nfs/dbraw/zinc/61/28/83/1170612883.db2.gz	CUSFHJZJSPUMOP-UHFFFAOYSA-N	-1	0	303.318	0.463	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001608198240	1170613581	/nfs/dbraw/zinc/61/35/81/1170613581.db2.gz	VRTPZCUIVGQZNC-NSHDSACASA-N	-1	0	319.292	0.959	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(Cc2nc(-c3ccccn3)no2)c1=O	ZINC001608196180	1170613634	/nfs/dbraw/zinc/61/36/34/1170613634.db2.gz	POCGSSJSDPKZCS-UHFFFAOYSA-N	-1	0	323.268	0.911	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)NC2CC(CC(=O)[O-])C2)cc1	ZINC001608199963	1170614112	/nfs/dbraw/zinc/61/41/12/1170614112.db2.gz	AFMYMFPXAQLUTC-UHFFFAOYSA-N	-1	0	315.329	0.658	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H](O)CC(=O)[O-])cc1	ZINC001608205564	1170614809	/nfs/dbraw/zinc/61/48/09/1170614809.db2.gz	HTFVBPSJZCHCMP-UONOGXRCSA-N	-1	0	317.345	0.479	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H](O)CC(=O)[O-])cc1	ZINC001608205566	1170615204	/nfs/dbraw/zinc/61/52/04/1170615204.db2.gz	HTFVBPSJZCHCMP-ZIAGYGMSSA-N	-1	0	317.345	0.479	20	30		DCEDRM
N#Cc1cccc(C2(NC(=O)Cn3cc(C(=O)[O-])nn3)CC2)c1	ZINC001608216801	1170616915	/nfs/dbraw/zinc/61/69/15/1170616915.db2.gz	VRUFHGLFBFYHCJ-UHFFFAOYSA-N	-1	0	311.301	0.653	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)NC[C@H](F)C(=O)[O-])CC2)c1	ZINC001608220544	1170618811	/nfs/dbraw/zinc/61/88/11/1170618811.db2.gz	CJZILLVHLVDGMN-NSHDSACASA-N	-1	0	321.312	0.208	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CC[C@@H]2COC(=O)N[C@H]2C1	ZINC001608224058	1170619357	/nfs/dbraw/zinc/61/93/57/1170619357.db2.gz	PBQOEGRRRAMLIP-KCJUWKMLSA-N	-1	0	302.290	0.586	20	30		DCEDRM
NS(=O)(=O)c1ccc(N=NCc2cc(C(=O)[O-])co2)nc1	ZINC001608262635	1170636433	/nfs/dbraw/zinc/63/64/33/1170636433.db2.gz	IQHDFINQFAYIJS-UHFFFAOYSA-N	-1	0	310.291	0.466	20	30		DCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1	ZINC001609019385	1170784943	/nfs/dbraw/zinc/78/49/43/1170784943.db2.gz	SLVKPFRUIDJZHZ-ZETCQYMHSA-N	-1	0	302.269	0.082	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1cc(C)cc(-c2nn[nH]n2)c1	ZINC001609019262	1170785349	/nfs/dbraw/zinc/78/53/49/1170785349.db2.gz	QDBQYVOAOHCZHN-NSHDSACASA-N	-1	0	312.333	0.642	20	30		DCEDRM
CC(C)(C#N)CNS(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001609072924	1170800534	/nfs/dbraw/zinc/80/05/34/1170800534.db2.gz	MUYSHZPMRXCQRE-UHFFFAOYSA-N	-1	0	307.339	0.090	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C)c(N(C)C)c1)C(=O)[O-]	ZINC001609090022	1170806405	/nfs/dbraw/zinc/80/64/05/1170806405.db2.gz	XKNOPYFWGOGXRE-LBPRGKRZSA-N	-1	0	310.375	0.816	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)CCOCc1ccccc1)C(=O)[O-]	ZINC001609089997	1170806750	/nfs/dbraw/zinc/80/67/50/1170806750.db2.gz	WYHCKZHOILLCMH-CYBMUJFWSA-N	-1	0	311.359	0.599	20	30		DCEDRM
C#CCCCNC(=O)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC001609106895	1170812354	/nfs/dbraw/zinc/81/23/54/1170812354.db2.gz	VVFXGBSOPQWSJF-UHFFFAOYSA-N	-1	0	300.314	0.757	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC001609152946	1170828602	/nfs/dbraw/zinc/82/86/02/1170828602.db2.gz	MWTRBAMLZYWPHW-UHFFFAOYSA-N	-1	0	304.327	0.788	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC001609167729	1170836876	/nfs/dbraw/zinc/83/68/76/1170836876.db2.gz	WSOKZGYLFCZFOK-LLVKDONJSA-N	-1	0	318.329	0.579	20	30		DCEDRM
COC(=O)c1oc(Cn2cnc(-c3nnn[n-]3)c2C#N)cc1C	ZINC001609307218	1170927052	/nfs/dbraw/zinc/92/70/52/1170927052.db2.gz	SPYUEXDOZQAMMZ-UHFFFAOYSA-N	-1	0	313.277	0.671	20	30		DCEDRM
COc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)ccn1	ZINC001609339887	1170945328	/nfs/dbraw/zinc/94/53/28/1170945328.db2.gz	RXTLQIUORMJSCV-UHFFFAOYSA-N	-1	0	311.265	0.117	20	30		DCEDRM
Cc1ncsc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001609457800	1170985661	/nfs/dbraw/zinc/98/56/61/1170985661.db2.gz	YLPQXTAOIJTPNY-UHFFFAOYSA-N	-1	0	301.295	0.479	20	30		DCEDRM
C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001609470298	1170989476	/nfs/dbraw/zinc/98/94/76/1170989476.db2.gz	NFUXJBGWRYXYKO-UTUOFQBUSA-N	-1	0	322.365	0.646	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(C(=O)[O-])nc1	ZINC001609683945	1171065779	/nfs/dbraw/zinc/06/57/79/1171065779.db2.gz	JVGHGCAQNDJCJP-OAHLLOKOSA-N	-1	0	319.317	0.991	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC001609811501	1171091318	/nfs/dbraw/zinc/09/13/18/1171091318.db2.gz	IZMKBVXBMMINEK-CQSZACIVSA-N	-1	0	302.290	0.215	20	30		DCEDRM
CC[C@](C)(NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001609896510	1171118346	/nfs/dbraw/zinc/11/83/46/1171118346.db2.gz	PGVUDYGXAROCCF-NYHXXUGCSA-N	-1	0	309.322	0.272	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001609992542	1171132263	/nfs/dbraw/zinc/13/22/63/1171132263.db2.gz	BWZFEQZSWFGPHT-BXUZGUMPSA-N	-1	0	311.382	0.152	20	30		DCEDRM
Cn1c(Sc2ccc(C(=O)[O-])cc2)c(C#N)c(=O)n(C)c1=O	ZINC001610599206	1171262512	/nfs/dbraw/zinc/26/25/12/1171262512.db2.gz	ULFWGADDSBWXKW-UHFFFAOYSA-N	-1	0	317.326	0.805	20	30		DCEDRM
N#CC1(CNC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1	ZINC001610619044	1171270177	/nfs/dbraw/zinc/27/01/77/1171270177.db2.gz	FBKSYLTXOQVPBN-VIFPVBQESA-N	-1	0	304.310	0.236	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CC(=O)NCc2ccccn2)c1=O	ZINC001610625397	1171271150	/nfs/dbraw/zinc/27/11/50/1171271150.db2.gz	ONKNLRRCVUEHFF-UHFFFAOYSA-N	-1	0	312.285	0.130	20	30		DCEDRM
N#Cc1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cs1	ZINC001610625666	1171271466	/nfs/dbraw/zinc/27/14/66/1171271466.db2.gz	VZIUITALMWSGHR-UHFFFAOYSA-N	-1	0	323.374	0.479	20	30		DCEDRM
N#Cc1c2c(cn(CN3CCO[C@@H](CC(=O)[O-])C3)c1=O)CCC2	ZINC001610623839	1171271520	/nfs/dbraw/zinc/27/15/20/1171271520.db2.gz	AWDCTAZEMGJELY-LBPRGKRZSA-N	-1	0	317.345	0.342	20	30		DCEDRM
N#Cc1ccc(CN2C(=O)[C@H]3C[C@H](C(=O)[O-])CCN3C2=O)nc1	ZINC001610628196	1171272952	/nfs/dbraw/zinc/27/29/52/1171272952.db2.gz	QZVFPZZGNRLISF-ZYHUDNBSSA-N	-1	0	314.301	0.581	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCNc2cccc(F)c2)c(C#N)c1=O	ZINC001612180997	1171359511	/nfs/dbraw/zinc/35/95/11/1171359511.db2.gz	BSVPJDOISRSIML-UHFFFAOYSA-N	-1	0	317.324	0.998	20	30		DCEDRM
CC1(C)C[C@]1(C#N)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001625422243	1171472980	/nfs/dbraw/zinc/47/29/80/1171472980.db2.gz	NLMAZWAUPJMZMM-CQSZACIVSA-N	-1	0	301.306	0.019	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2ccccc2O)c(=O)[n-]c1=O	ZINC001626385092	1171481843	/nfs/dbraw/zinc/48/18/43/1171481843.db2.gz	KFTICAKCKPLKMB-UHFFFAOYSA-N	-1	0	300.274	0.555	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	ZINC001627127175	1171497378	/nfs/dbraw/zinc/49/73/78/1171497378.db2.gz	IPPDOPQSWZQKMM-UHFFFAOYSA-N	-1	0	313.317	0.460	20	30		DCEDRM
CC[C@@](C)(C#N)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001632151416	1171612220	/nfs/dbraw/zinc/61/22/20/1171612220.db2.gz	VBAVVWOSQOFFCB-AWEZNQCLSA-N	-1	0	301.306	0.688	20	30		DCEDRM
COC(=O)c1cnn(CC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC001633077245	1171632176	/nfs/dbraw/zinc/63/21/76/1171632176.db2.gz	PYGMWOPDUSEXBY-UHFFFAOYSA-N	-1	0	300.274	0.886	20	30		DCEDRM
Cc1cccc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1O	ZINC001633086733	1171632306	/nfs/dbraw/zinc/63/23/06/1171632306.db2.gz	HTBZMLQRXZHOEV-UHFFFAOYSA-N	-1	0	314.301	0.863	20	30		DCEDRM
N#Cc1ccccc1C=CC(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC001635090649	1171692932	/nfs/dbraw/zinc/69/29/32/1171692932.db2.gz	MKWMMJSBGHPAOS-CFHLNLSMSA-N	-1	0	310.317	0.685	20	30		DCEDRM
C=CCCOCC(=O)Nc1[nH]nc(OCCO)c1C(=O)OC	ZINC001638838477	1171810443	/nfs/dbraw/zinc/81/04/43/1171810443.db2.gz	ZNFSVBGNMOYKQO-UHFFFAOYSA-N	-1	0	313.310	0.099	20	30		DCEDRM
C=CCCO[N-]C(=O)CNC(=O)c1cnc2ccccc2c1O	ZINC001641570612	1171921286	/nfs/dbraw/zinc/92/12/86/1171921286.db2.gz	MBYNILLWBMOVNI-UHFFFAOYSA-N	-1	0	315.329	0.882	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCc2ccnc(F)c2)c(=O)[n-]c1=O	ZINC001641814755	1171930012	/nfs/dbraw/zinc/93/00/12/1171930012.db2.gz	QKMAKGVFOSRPFP-UHFFFAOYSA-N	-1	0	317.280	0.061	20	30		DCEDRM
C=CCC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001641970688	1171934885	/nfs/dbraw/zinc/93/48/85/1171934885.db2.gz	OWTLQKBLCDLEQV-UHFFFAOYSA-N	-1	0	302.334	0.683	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cc1C(N)=O	ZINC001645567283	1172058400	/nfs/dbraw/zinc/05/84/00/1172058400.db2.gz	RGVHMZIFNMTOAC-UHFFFAOYSA-N	-1	0	322.350	0.035	20	30		DCEDRM
CCn1nccc1C(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001645691996	1172103951	/nfs/dbraw/zinc/10/39/51/1172103951.db2.gz	UXWAUPDILGSYAQ-UHFFFAOYSA-N	-1	0	304.331	0.893	20	30		DCEDRM
Cc1cccc([C@H]2CCCN2c2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001647631434	1173007113	/nfs/dbraw/zinc/00/71/13/1173007113.db2.gz	QNJWNTNYSDLCHD-CYBMUJFWSA-N	-1	0	311.345	0.990	20	30		DCEDRM
C[C@H]1c2ccccc2OCCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001650225725	1173523922	/nfs/dbraw/zinc/52/39/22/1173523922.db2.gz	FRLIINXBYATLCV-JTQLQIEISA-N	-1	0	312.329	0.905	20	30		DCEDRM
N#Cc1cn(C2CN(c3ncnc4[nH]ccc43)C2)c(=O)[n-]c1=O	ZINC001651249412	1173744436	/nfs/dbraw/zinc/74/44/36/1173744436.db2.gz	KSYGVVYELSFGCM-UHFFFAOYSA-N	-1	0	309.289	0.153	20	30		DCEDRM
Cc1ccccc1Cc1noc(Cn2c(=O)[n-]cc(C#N)c2=O)n1	ZINC001652908743	1173778151	/nfs/dbraw/zinc/77/81/51/1173778151.db2.gz	JDHHLWLUNSFELN-UHFFFAOYSA-N	-1	0	323.312	0.739	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2ccc(-n3cccn3)cc2)c(C#N)c1=O	ZINC001655161133	1173817301	/nfs/dbraw/zinc/81/73/01/1173817301.db2.gz	WSYNVWIKOWIZDR-UHFFFAOYSA-N	-1	0	309.285	0.923	20	30		DCEDRM
C=CCCOCC(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001661752231	1174153927	/nfs/dbraw/zinc/15/39/27/1174153927.db2.gz	GOGDQMTUDJGDGT-LBPRGKRZSA-N	-1	0	323.397	0.431	20	30		DCEDRM
C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC001665175237	1174488844	/nfs/dbraw/zinc/48/88/44/1174488844.db2.gz	QOHRPAUMTOHCKN-VIFPVBQESA-N	-1	0	303.336	0.672	20	30		DCEDRM
COCC#CCN1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001665622015	1174540672	/nfs/dbraw/zinc/54/06/72/1174540672.db2.gz	ORBAACCWPNLJNE-LBPRGKRZSA-N	-1	0	306.366	0.220	20	30		DCEDRM
C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccno1)C(=O)OCC	ZINC001665796921	1174564295	/nfs/dbraw/zinc/56/42/95/1174564295.db2.gz	HGFFJDSUGMWCBA-NSHDSACASA-N	-1	0	302.352	0.992	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NCC2=CCCCC2)c(=O)[n-]c1=O	ZINC001682803722	1175948516	/nfs/dbraw/zinc/94/85/16/1175948516.db2.gz	YIHCYIMLGNCSFA-UHFFFAOYSA-N	-1	0	317.349	0.620	20	30		DCEDRM
C=CCOCC(=O)N[C@H](C)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001690494710	1177256062	/nfs/dbraw/zinc/25/60/62/1177256062.db2.gz	IPCXIONVKQPWTD-NEPJUHHUSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C#CCCCC(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001699770326	1178283271	/nfs/dbraw/zinc/28/32/71/1178283271.db2.gz	ODNHMSZWIUINER-UHFFFAOYSA-N	-1	0	305.382	0.785	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)C[C@@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001700966868	1178849058	/nfs/dbraw/zinc/84/90/58/1178849058.db2.gz	FOAIRWUZAOXUSA-NSHDSACASA-N	-1	0	323.397	0.118	20	30		DCEDRM
C=CCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O	ZINC001701118249	1178929753	/nfs/dbraw/zinc/92/97/53/1178929753.db2.gz	KUJSJSPDCKBEMU-UWVGGRQHSA-N	-1	0	322.365	0.075	20	30		DCEDRM
C=CCOCC(=O)N(C)C[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001702457021	1179203287	/nfs/dbraw/zinc/20/32/87/1179203287.db2.gz	BRKPWKJFIJEMIE-NSHDSACASA-N	-1	0	322.365	0.299	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001703124320	1179316561	/nfs/dbraw/zinc/31/65/61/1179316561.db2.gz	OKYHETSNPBNKEK-JTQLQIEISA-N	-1	0	310.354	0.251	20	30		DCEDRM
C=CCCCC(=O)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001704569139	1180068921	/nfs/dbraw/zinc/06/89/21/1180068921.db2.gz	TYLCSURLXKMHMZ-UHFFFAOYSA-N	-1	0	306.366	0.968	20	30		DCEDRM
C#CCCCC(=O)NC[C@H](CC)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001704636995	1180098198	/nfs/dbraw/zinc/09/81/98/1180098198.db2.gz	AYGMCXJKAOZTJD-NSHDSACASA-N	-1	0	306.366	0.852	20	30		DCEDRM
C#CCN1CC[C@H]1CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001733215075	1186184428	/nfs/dbraw/zinc/18/44/28/1186184428.db2.gz	MMYLIIOWZRTSLZ-AWEZNQCLSA-N	-1	0	304.394	0.199	20	30		DCEDRM
C=CC(C)(C)CC(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001736941210	1187188754	/nfs/dbraw/zinc/18/87/54/1187188754.db2.gz	NJMHMOJDCYLBGK-UHFFFAOYSA-N	-1	0	323.353	0.121	20	30		DCEDRM
C=CC(C)(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1	ZINC001737532986	1187355461	/nfs/dbraw/zinc/35/54/61/1187355461.db2.gz	OGMRGCZBVDPHAL-IWIIMEHWSA-N	-1	0	303.366	0.594	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@H](CC)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001738122475	1187480257	/nfs/dbraw/zinc/48/02/57/1187480257.db2.gz	HHIAULRIIYEBJX-MNOVXSKESA-N	-1	0	322.365	0.087	20	30		DCEDRM
C=CCCC(=O)NCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001740496136	1187930813	/nfs/dbraw/zinc/93/08/13/1187930813.db2.gz	DVHHQTLIVXWDSA-UHFFFAOYSA-N	-1	0	304.306	0.741	20	30		DCEDRM
CCN(CCCNC(=O)c1[nH]nc(C)c1[O-])C(=O)[C@H](C)C#N	ZINC001743834518	1188167005	/nfs/dbraw/zinc/16/70/05/1188167005.db2.gz	CSBRUKGOTILCJL-SECBINFHSA-N	-1	0	307.354	0.552	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001744711791	1188229687	/nfs/dbraw/zinc/22/96/87/1188229687.db2.gz	VTUJWSSSWRQIFD-IUCAKERBSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C=CCCOCC(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001755392219	1189100748	/nfs/dbraw/zinc/10/07/48/1189100748.db2.gz	NZOKVBZIXIBXHK-SNVBAGLBSA-N	-1	0	309.370	0.040	20	30		DCEDRM
C=CCOCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001756815288	1189459154	/nfs/dbraw/zinc/45/91/54/1189459154.db2.gz	LXGYHXJMNJMFEB-ZJUUUORDSA-N	-1	0	324.381	0.639	20	30		DCEDRM
C=C(C)CCC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1	ZINC001757166204	1189506067	/nfs/dbraw/zinc/50/60/67/1189506067.db2.gz	QSOXWBYPVBDBNT-MNOVXSKESA-N	-1	0	322.365	0.082	20	30		DCEDRM
CCOC1CC2(C1)CCN(c1[n-]c(=O)n(C)c(=O)c1C#N)C2	ZINC001772117978	1190611309	/nfs/dbraw/zinc/61/13/09/1190611309.db2.gz	UYCJJMKRODSUGA-UHFFFAOYSA-N	-1	0	304.350	0.341	20	30		DCEDRM
C[C@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC2(CCCCC2)O1	ZINC001772121012	1190611758	/nfs/dbraw/zinc/61/17/58/1190611758.db2.gz	UKOZDLDMFTXOOM-NSHDSACASA-N	-1	0	318.377	0.873	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNc2cnc(C#N)cn2)c1[O-]	ZINC001107126161	751876314	/nfs/dbraw/zinc/87/63/14/751876314.db2.gz	HJRKVEIWJTYKAK-NSCUHMNNSA-N	-1	0	313.321	0.484	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)OCC	ZINC001167523698	747354179	/nfs/dbraw/zinc/35/41/79/747354179.db2.gz	PEJNNWMWQPGTTF-GFCCVEGCSA-N	-1	0	320.349	0.308	20	30		DCEDRM
C[C@H]1[C@H](Nc2cc(C#N)nc(C3CC3)n2)C(=O)N1S(=O)(=O)[O-]	ZINC001167858038	748441567	/nfs/dbraw/zinc/44/15/67/748441567.db2.gz	DOQWDPZQIQJTFQ-WKEGUHRASA-N	-1	0	323.334	0.040	20	30		DCEDRM
N#Cc1cnc(NC(=N)SCCS(=O)(=O)[O-])c(C#N)c1	ZINC001157322238	761959004	/nfs/dbraw/zinc/95/90/04/761959004.db2.gz	WYJXVGVCIZVIFD-UHFFFAOYSA-N	-1	0	311.348	0.793	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@@H](C)Nc2nccnc2C#N)c1[O-]	ZINC001098985641	750637256	/nfs/dbraw/zinc/63/72/56/750637256.db2.gz	ZCTDFOWSJZTRMQ-MRVPVSSYSA-N	-1	0	315.337	0.706	20	30		DCEDRM
COc1ccnc(C(=N)Nc2cccc(S(=O)(=O)[O-])n2)n1	ZINC001168418473	750712243	/nfs/dbraw/zinc/71/22/43/750712243.db2.gz	AIUCEHLVXSSQNG-UHFFFAOYSA-N	-1	0	309.307	0.164	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001089139517	750816811	/nfs/dbraw/zinc/81/68/11/750816811.db2.gz	DALAZEULPVMEEC-MNOVXSKESA-N	-1	0	306.370	0.483	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)Nc2nccnc2C#N)c1[O-]	ZINC001112992147	762074907	/nfs/dbraw/zinc/07/49/07/762074907.db2.gz	WCWPOSSFHCTYQP-YUMQZZPRSA-N	-1	0	315.337	0.704	20	30		DCEDRM
C=CCCSCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001121919168	750943601	/nfs/dbraw/zinc/94/36/01/750943601.db2.gz	SVGLQUZSPAGJDI-UHFFFAOYSA-N	-1	0	315.395	0.234	20	30		DCEDRM
C#CCCCCCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001113205738	762189402	/nfs/dbraw/zinc/18/94/02/762189402.db2.gz	ZXPYMRFYFIPKDH-UHFFFAOYSA-N	-1	0	305.382	0.738	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(NC(=O)C#CC(C)C)CCC2)c1[O-]	ZINC001062806246	754984200	/nfs/dbraw/zinc/98/42/00/754984200.db2.gz	DAGCVROLHGLPHB-UHFFFAOYSA-N	-1	0	318.377	0.852	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(NC(=O)[C@@H](C)C#N)CCC2)c1[O-]	ZINC001062806597	754984208	/nfs/dbraw/zinc/98/42/08/754984208.db2.gz	NJXQFEPVGZIHJF-QMMMGPOBSA-N	-1	0	305.338	0.352	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)Nc2nc(C)cc(C#N)n2)c1[O-]	ZINC001097804904	755750069	/nfs/dbraw/zinc/75/00/69/755750069.db2.gz	RUKNZUBWQFMTGZ-QMMMGPOBSA-N	-1	0	315.337	0.624	20	30		DCEDRM
CCN(C(=O)C#CC1CC1)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001079736839	755985711	/nfs/dbraw/zinc/98/57/11/755985711.db2.gz	MAYJGWGBKKIXCJ-UHFFFAOYSA-N	-1	0	316.361	0.510	20	30		DCEDRM
C#C[C@@](C)(CC)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000822640848	758203903	/nfs/dbraw/zinc/20/39/03/758203903.db2.gz	VMYKQHDRMZMHPF-ZDUSSCGKSA-N	-1	0	322.346	0.516	20	30		DCEDRM
C=CCCCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001148199479	767927589	/nfs/dbraw/zinc/92/75/89/767927589.db2.gz	GPDFSLPIEFPNOB-UHFFFAOYSA-N	-1	0	305.382	0.901	20	30		DCEDRM
C=CCN1CCn2ncc(CNC(=O)c3[nH]nc(C)c3[O-])c2C1	ZINC001069857789	760905437	/nfs/dbraw/zinc/90/54/37/760905437.db2.gz	MGZJDVBZLZVNHT-UHFFFAOYSA-N	-1	0	316.365	0.552	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001109245835	761330329	/nfs/dbraw/zinc/33/03/29/761330329.db2.gz	CCCNWAACFIOIGF-WOPDTQHZSA-N	-1	0	303.366	0.391	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1Cc1n[nH]c(=O)[n-]1	ZINC001098982742	762770858	/nfs/dbraw/zinc/77/08/58/762770858.db2.gz	NHSYOFDHOKHSOC-MNOVXSKESA-N	-1	0	320.397	0.777	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nc(Cl)cnc1C(N)=O	ZINC001158965154	765124748	/nfs/dbraw/zinc/12/47/48/765124748.db2.gz	LIKHFNJNCDSKTF-UHFFFAOYSA-N	-1	0	321.684	0.655	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2cncc(F)c2)c1	ZINC000813984285	765298807	/nfs/dbraw/zinc/29/88/07/765298807.db2.gz	OUAQMTSNQXHFED-UHFFFAOYSA-N	-1	0	306.278	0.606	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1ncc(C)cn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170747877	765491854	/nfs/dbraw/zinc/49/18/54/765491854.db2.gz	YPXMLIKAZICRNJ-QMTHXVAHSA-N	-1	0	322.390	0.750	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@@H](C)C[C@@H](C)NCC#N)cc1=O	ZINC001134912508	765732530	/nfs/dbraw/zinc/73/25/30/765732530.db2.gz	ABNKIICXYHEZIA-OLZOCXBDSA-N	-1	0	321.425	0.771	20	30		DCEDRM
C=CC[C@H](NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-]	ZINC001116887871	765924386	/nfs/dbraw/zinc/92/43/86/765924386.db2.gz	LZPIDDYELALDNW-DCAQKATOSA-N	-1	0	318.395	0.671	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1	ZINC001117678853	766125322	/nfs/dbraw/zinc/12/53/22/766125322.db2.gz	MKFDKLVEISERPG-UHFFFAOYSA-N	-1	0	308.359	0.640	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCc2nn(C)cc21)C(=O)[O-]	ZINC001119580990	766738171	/nfs/dbraw/zinc/73/81/71/766738171.db2.gz	STUSHTNYGZXGLU-MFKMUULPSA-N	-1	0	307.350	0.612	20	30		DCEDRM
CC(C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)=C1CCC1	ZINC001120754022	767183784	/nfs/dbraw/zinc/18/37/84/767183784.db2.gz	KHTJGRPDFSJLFY-UHFFFAOYSA-N	-1	0	300.318	0.704	20	30		DCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N(C[C@H](C)O)C1CC1	ZINC001121644654	767613100	/nfs/dbraw/zinc/61/31/00/767613100.db2.gz	UUEWGIMEIOXKEJ-JTQLQIEISA-N	-1	0	318.381	0.920	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)Cc1ccns1	ZINC001121662806	767616294	/nfs/dbraw/zinc/61/62/94/767616294.db2.gz	HAMWWTPQWMCNJU-UHFFFAOYSA-N	-1	0	317.378	0.781	20	30		DCEDRM
CC(C)CC(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001142714819	768660247	/nfs/dbraw/zinc/66/02/47/768660247.db2.gz	GDVBHTNVWZLYCN-JTQLQIEISA-N	-1	0	314.344	0.575	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCNc2nccnc2C#N)c1[O-]	ZINC001094389921	769025435	/nfs/dbraw/zinc/02/54/35/769025435.db2.gz	UPXFRSRNKLTTKQ-UHFFFAOYSA-N	-1	0	301.310	0.317	20	30		DCEDRM
C[C@H](CCCCNCC#N)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001171618631	769332223	/nfs/dbraw/zinc/33/22/23/769332223.db2.gz	LJURQCVRINSUKX-LLVKDONJSA-N	-1	0	324.385	0.258	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001233928028	769497834	/nfs/dbraw/zinc/49/78/34/769497834.db2.gz	MHDSFMLPGAUYLL-MNOVXSKESA-N	-1	0	307.354	0.438	20	30		DCEDRM
C#CCC1(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)CCC1	ZINC001235208619	769780156	/nfs/dbraw/zinc/78/01/56/769780156.db2.gz	CPNPVULMJYAPIP-LBPRGKRZSA-N	-1	0	317.393	0.737	20	30		DCEDRM
N#CCCN1CCN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])CC1	ZINC001180172645	771067174	/nfs/dbraw/zinc/06/71/74/771067174.db2.gz	ACXODENWKGKOMZ-UHFFFAOYSA-N	-1	0	311.235	0.399	20	30		DCEDRM
N#Cc1cc(NC(=O)CCC(=O)N2CCOCC2)c([O-])cc1F	ZINC001180496281	771128244	/nfs/dbraw/zinc/12/82/44/771128244.db2.gz	UWGSGYKUUVBCTO-UHFFFAOYSA-N	-1	0	321.308	0.980	20	30		DCEDRM
C=C(CC(=O)OCCCC)C(=O)N[C@H]1SC(=O)[N-]C1=O	ZINC001184311963	771771154	/nfs/dbraw/zinc/77/11/54/771771154.db2.gz	JFUZQRMXPLWNMT-NSHDSACASA-N	-1	0	300.336	0.701	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)c1cc(F)c(F)c([O-])c1F	ZINC001186797442	772091472	/nfs/dbraw/zinc/09/14/72/772091472.db2.gz	AKBIKYLDBRMMAU-SSDOTTSWSA-N	-1	0	302.208	0.995	20	30		DCEDRM
Cc1oncc1S(=O)(=O)[N-]c1c(C#N)cnc2ccnn21	ZINC001187332985	772168569	/nfs/dbraw/zinc/16/85/69/772168569.db2.gz	BYSYAOIFTVUXKW-UHFFFAOYSA-N	-1	0	304.291	0.698	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)c1	ZINC001190663428	772651741	/nfs/dbraw/zinc/65/17/41/772651741.db2.gz	VGQXFLSCTAZLEH-VIFPVBQESA-N	-1	0	315.307	0.285	20	30		DCEDRM
CSc1nc(Cl)c(/C=N/[O-])c(N2CCNC[C@H]2C#N)n1	ZINC001164641155	772689530	/nfs/dbraw/zinc/68/95/30/772689530.db2.gz	GMXKEQIWVDUOKI-LHGJSEJASA-N	-1	0	312.786	0.962	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2ccn(-c3cccc(F)c3)n2)c1=O	ZINC001166382446	772806225	/nfs/dbraw/zinc/80/62/25/772806225.db2.gz	BRDBDZSLHJNISQ-UHFFFAOYSA-N	-1	0	311.276	0.781	20	30		DCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cnc(C)c(C#N)c1	ZINC001192300144	772894475	/nfs/dbraw/zinc/89/44/75/772894475.db2.gz	LOXWFNFUAPRDDF-NSHDSACASA-N	-1	0	305.290	0.398	20	30		DCEDRM
Cc1cc(C)c(S(C)(=O)=O)cc1NS(=O)(=O)CC#N	ZINC001192972364	772989674	/nfs/dbraw/zinc/98/96/74/772989674.db2.gz	UMUIMVHURFZDPW-UHFFFAOYSA-N	-1	0	302.377	0.972	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1CCCO1	ZINC001193106535	773006047	/nfs/dbraw/zinc/00/60/47/773006047.db2.gz	GYFWZWHQIKSECW-IUCAKERBSA-N	-1	0	322.350	0.789	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)cc1F	ZINC001193145971	773017386	/nfs/dbraw/zinc/01/73/86/773017386.db2.gz	DHHODQHVXGYJRN-SSDOTTSWSA-N	-1	0	306.340	0.883	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)cc1F	ZINC001193145972	773017407	/nfs/dbraw/zinc/01/74/07/773017407.db2.gz	DHHODQHVXGYJRN-ZETCQYMHSA-N	-1	0	306.340	0.883	20	30		DCEDRM
COc1cc([N-]S(=O)(=O)[C@H](C)C#N)c(C(N)=O)cc1OC	ZINC001193148801	773018564	/nfs/dbraw/zinc/01/85/64/773018564.db2.gz	FMXFNASYABNXTN-SSDOTTSWSA-N	-1	0	313.335	0.456	20	30		DCEDRM
N#Cc1cc(C(=O)NC2CC3(C2)CS(=O)(=O)C3)ccc1[O-]	ZINC001193516089	773077009	/nfs/dbraw/zinc/07/70/09/773077009.db2.gz	YZYNJIZYCXWGCY-UHFFFAOYSA-N	-1	0	306.343	0.571	20	30		DCEDRM
N#Cc1cncc(C(=O)NC(=N)SCCS(=O)(=O)[O-])c1	ZINC001194111523	773149537	/nfs/dbraw/zinc/14/95/37/773149537.db2.gz	ACDQENALTIDTGN-UHFFFAOYSA-N	-1	0	314.348	0.239	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cccnc1C#N	ZINC001223059235	775458931	/nfs/dbraw/zinc/45/89/31/775458931.db2.gz	MLWHBCLSRNJJRT-LBPRGKRZSA-N	-1	0	312.347	0.929	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCCN1CCOCC1	ZINC001224870779	775615241	/nfs/dbraw/zinc/61/52/41/775615241.db2.gz	VAMCMEMZZJBLAI-CYBMUJFWSA-N	-1	0	323.411	0.184	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nc2cccnc2[nH]1	ZINC001226668527	775857548	/nfs/dbraw/zinc/85/75/48/775857548.db2.gz	UWSVWCCZGIUKIJ-SECBINFHSA-N	-1	0	313.335	0.796	20	30		DCEDRM
C#C[C@@H](Oc1[nH]c(=O)nc2c(=O)[n-]c(=O)[nH]c21)c1ccncc1	ZINC001226887085	775890943	/nfs/dbraw/zinc/89/09/43/775890943.db2.gz	YNOXPOULVHKFHA-MRVPVSSYSA-N	-1	0	311.257	0.685	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccnc1C(N)=O	ZINC001229313644	776179599	/nfs/dbraw/zinc/17/95/99/776179599.db2.gz	MQHWETJICKFJFX-SECBINFHSA-N	-1	0	316.335	0.018	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001602683850	1169158191	/nfs/dbraw/zinc/15/81/91/1169158191.db2.gz	VZYQDHSJAWBPFA-LBPRGKRZSA-N	-1	0	307.350	0.815	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C1(NC(C)=O)CCCCC1)C(=O)[O-]	ZINC001602910402	1169202498	/nfs/dbraw/zinc/20/24/98/1169202498.db2.gz	YDPDOKCAZARSJT-LBPRGKRZSA-N	-1	0	312.366	0.597	20	30		DCEDRM
C=CCOCCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001602915680	1169203883	/nfs/dbraw/zinc/20/38/83/1169203883.db2.gz	RLLOAOOQCWHGNE-RYUDHWBXSA-N	-1	0	313.350	0.834	20	30		DCEDRM
CC(C)[C@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)NCC#N	ZINC001268220539	939994754	/nfs/dbraw/zinc/99/47/54/939994754.db2.gz	CAOKNBDQOVWJIS-JTQLQIEISA-N	-1	0	303.322	0.796	20	30		DCEDRM
O=C(CCS)N1CCc2onc(C(=O)[N-]c3nnco3)c2C1	ZINC001268890517	940398175	/nfs/dbraw/zinc/39/81/75/940398175.db2.gz	IYUXVHSHCGOUCU-UHFFFAOYSA-N	-1	0	323.334	0.515	20	30		DCEDRM
C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)Cc1nnn[n-]1	ZINC001269577657	940733781	/nfs/dbraw/zinc/73/37/81/940733781.db2.gz	NAOLKAGOUAIWFH-OAHLLOKOSA-N	-1	0	318.381	0.302	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2cc(F)ccc2F)c(C#N)c1=O	ZINC001412871778	942117543	/nfs/dbraw/zinc/11/75/43/942117543.db2.gz	ORBMXAUZUZYYKK-UHFFFAOYSA-N	-1	0	306.272	0.878	20	30		DCEDRM
CC(C)c1nnc([C@H](C)Nc2[n-]c(=O)n(C)c(=O)c2C#N)[nH]1	ZINC001412881194	942121440	/nfs/dbraw/zinc/12/14/40/942121440.db2.gz	KWNXLBWISCMLKO-ZETCQYMHSA-N	-1	0	303.326	0.360	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc3c(n2)CCCC3)c(C#N)c1=O	ZINC001412887523	942125393	/nfs/dbraw/zinc/12/53/93/942125393.db2.gz	VAWYFZQBLHBREE-UHFFFAOYSA-N	-1	0	311.345	0.831	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)NCc2cccc(Cl)c2)c1=O	ZINC001412922571	942140541	/nfs/dbraw/zinc/14/05/41/942140541.db2.gz	NUUUYZSQUSJYBA-UHFFFAOYSA-N	-1	0	318.720	0.378	20	30		DCEDRM
CO[C@@H]([C@@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001412970050	942162689	/nfs/dbraw/zinc/16/26/89/942162689.db2.gz	TZCHIAAWXZOORU-RNCFNFMXSA-N	-1	0	320.349	0.140	20	30		DCEDRM
C[C@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC[S@@](=O)C1	ZINC001412971374	942163820	/nfs/dbraw/zinc/16/38/20/942163820.db2.gz	DBPNLYPOUAFFRO-MLMJSJRWSA-N	-1	0	319.390	0.507	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCc2cc(=O)cc[nH]2)cc1C#N	ZINC001413065086	942452868	/nfs/dbraw/zinc/45/28/68/942452868.db2.gz	YCZPFAHWBMHNIL-UHFFFAOYSA-N	-1	0	316.342	0.999	20	30		DCEDRM
C#CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cc(=O)[nH][n-]1	ZINC001272282375	942659821	/nfs/dbraw/zinc/65/98/21/942659821.db2.gz	CADWPQIBXJTHRU-HNNXBMFYSA-N	-1	0	302.334	0.346	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(N2CCCC2=O)C1	ZINC001413670789	943561176	/nfs/dbraw/zinc/56/11/76/943561176.db2.gz	JUXRNDCRXNSWBS-UHFFFAOYSA-N	-1	0	300.318	0.414	20	30		DCEDRM
CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1CC(NCC#N)C1	ZINC001486484391	944919107	/nfs/dbraw/zinc/91/91/07/944919107.db2.gz	ZPVGMHSSLSTVMK-UHFFFAOYSA-N	-1	0	320.315	0.546	20	30		DCEDRM
C[C@@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001320070393	945731818	/nfs/dbraw/zinc/73/18/18/945731818.db2.gz	IPFIJHFDLLMWAO-MRVPVSSYSA-N	-1	0	317.396	0.045	20	30		DCEDRM
C=CCOC[C@H](O)CNc1ccc(OC)cc1S(=O)(=O)[O-]	ZINC001252477958	945945724	/nfs/dbraw/zinc/94/57/24/945945724.db2.gz	FIODXZSLVCGSFP-SNVBAGLBSA-N	-1	0	317.363	0.917	20	30		DCEDRM
C=CCOC[C@H](O)CNc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001252478479	945946555	/nfs/dbraw/zinc/94/65/55/945946555.db2.gz	QBETUXHWMJKQEK-SNVBAGLBSA-N	-1	0	312.347	0.094	20	30		DCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2ccc(OCC#N)cc2)c1[O-]	ZINC001320979356	946096866	/nfs/dbraw/zinc/09/68/66/946096866.db2.gz	GWXIUEAFKBBDRN-LLVKDONJSA-N	-1	0	303.274	0.577	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-]	ZINC001321166161	946196941	/nfs/dbraw/zinc/19/69/41/946196941.db2.gz	AMPPLVKZXOQHRM-LLVKDONJSA-N	-1	0	302.286	0.672	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-]	ZINC001321166769	946197918	/nfs/dbraw/zinc/19/79/18/946197918.db2.gz	KUDWXGPIPOIBLH-ZYHUDNBSSA-N	-1	0	306.318	0.774	20	30		DCEDRM
COC(=O)c1ccccc1S(=O)(=O)[N-]c1cnc(C#N)nc1	ZINC001253955145	946210685	/nfs/dbraw/zinc/21/06/85/946210685.db2.gz	AMUGFXJYJYHOTC-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C#CC1(NC(=O)C(=O)Nc2cccnc2C(=O)[O-])CCCC1	ZINC001602672377	971237270	/nfs/dbraw/zinc/23/72/70/971237270.db2.gz	MDTNENWHZZXUCX-UHFFFAOYSA-N	-1	0	301.302	0.781	20	30		DCEDRM
C=CC[C@H](NC(=O)CCc1c(C)nc2ncnn2c1C)C(=O)[O-]	ZINC001256559939	946644531	/nfs/dbraw/zinc/64/45/31/946644531.db2.gz	IPPKZROXJQGFDO-LBPRGKRZSA-N	-1	0	317.349	0.819	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc2cnccc21	ZINC001602679863	971262303	/nfs/dbraw/zinc/26/23/03/971262303.db2.gz	YBMFVYHMALADFW-UHFFFAOYSA-N	-1	0	311.297	0.720	20	30		DCEDRM
C=CC[C@H](NC(=O)/C=C\c1cncc(C(=O)NC)c1)C(=O)[O-]	ZINC001322598685	946741131	/nfs/dbraw/zinc/74/11/31/946741131.db2.gz	FIGMLQFWFXBCMB-FJOGCWAESA-N	-1	0	303.318	0.600	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1	ZINC001602684052	971277458	/nfs/dbraw/zinc/27/74/58/971277458.db2.gz	OWQSWOYCTUSPOR-WDEREUQCSA-N	-1	0	316.379	0.072	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2ccccc2C#N)n(CCO)n1	ZINC001258201910	946809129	/nfs/dbraw/zinc/80/91/29/946809129.db2.gz	QQZJMLXXCUIIHC-UHFFFAOYSA-N	-1	0	306.347	0.856	20	30		DCEDRM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cncc(C#N)n1	ZINC001258351936	946823723	/nfs/dbraw/zinc/82/37/23/946823723.db2.gz	CPBCRDNXCDWNEX-UHFFFAOYSA-N	-1	0	312.742	0.844	20	30		DCEDRM
CNC(=S)NN=Cc1c(Br)cc(C(=O)[O-])n1C	ZINC001322943241	946866952	/nfs/dbraw/zinc/86/69/52/946866952.db2.gz	GKIWWWYMLKMTBG-UHFFFAOYSA-N	-1	0	319.184	0.914	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnoc2C)n1CC=C	ZINC001602699009	971314946	/nfs/dbraw/zinc/31/49/46/971314946.db2.gz	BALKVUDZPFNOEY-UHFFFAOYSA-N	-1	0	301.306	0.952	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2nc(C)oc2c1	ZINC001602699428	971316808	/nfs/dbraw/zinc/31/68/08/971316808.db2.gz	SKFQEPDFNIUIFW-UHFFFAOYSA-N	-1	0	308.315	0.845	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC001260047159	947054220	/nfs/dbraw/zinc/05/42/20/947054220.db2.gz	IRRZJKOSMPQTPI-SNVBAGLBSA-N	-1	0	311.344	0.287	20	30		DCEDRM
CCOC(=O)C(C#N)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001260192269	947081662	/nfs/dbraw/zinc/08/16/62/947081662.db2.gz	HOCIXFPQKYBRND-JTQLQIEISA-N	-1	0	312.303	0.118	20	30		DCEDRM
COC(=O)[C@H](CS)NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC001260229621	947086243	/nfs/dbraw/zinc/08/62/43/947086243.db2.gz	DOIWMCNOJUSWFL-VIFPVBQESA-N	-1	0	319.360	0.135	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(COC)n1C[C@H]1CCCCO1	ZINC001602700967	971324071	/nfs/dbraw/zinc/32/40/71/971324071.db2.gz	QEDSYHHOMVMIDT-GFCCVEGCSA-N	-1	0	322.365	0.518	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NCC2(NCC#N)CC2)cc1=O	ZINC001323483403	947097701	/nfs/dbraw/zinc/09/77/01/947097701.db2.gz	YUDYQSYTKCKWBR-UHFFFAOYSA-N	-1	0	305.382	0.137	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccccc1CC(=O)NC	ZINC001261514443	947326456	/nfs/dbraw/zinc/32/64/56/947326456.db2.gz	BPTJSVCJOIANAP-UHFFFAOYSA-N	-1	0	305.334	0.538	20	30		DCEDRM
C=CC[C@H]1CCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001602719213	971382682	/nfs/dbraw/zinc/38/26/82/971382682.db2.gz	XDPTUDFSOQLHBJ-JTQLQIEISA-N	-1	0	320.349	0.818	20	30		DCEDRM
C=CCN(Cc1cc(C(=O)[O-])nn1C)[C@@H]1CCS(=O)(=O)C1	ZINC001602722730	971388953	/nfs/dbraw/zinc/38/89/53/971388953.db2.gz	KDNOJDDVMULJPR-SNVBAGLBSA-N	-1	0	313.379	0.293	20	30		DCEDRM
C=CCNc1nnc(S[C@H]2CCN(CC(=O)[O-])C2=O)s1	ZINC001602723010	971392386	/nfs/dbraw/zinc/39/23/86/971392386.db2.gz	HOBKAIMZZJLFLB-ZETCQYMHSA-N	-1	0	314.392	0.914	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])nn1	ZINC001602731159	971412271	/nfs/dbraw/zinc/41/22/71/971412271.db2.gz	VKVSVBSPWRLSEA-LBPRGKRZSA-N	-1	0	300.318	0.890	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(NC(C)=O)c(OC)c(OC)c1	ZINC001263291191	947828162	/nfs/dbraw/zinc/82/81/62/947828162.db2.gz	OXARLLIIYVNHOK-JTQLQIEISA-N	-1	0	319.317	0.731	20	30		DCEDRM
COCCn1cc(C([O-])=C(C#N)C(=O)c2nccn2C)c(C)n1	ZINC001263380569	947837048	/nfs/dbraw/zinc/83/70/48/947837048.db2.gz	UYNVPSCAPFWHMY-NSHDSACASA-N	-1	0	315.333	0.777	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1nccn2c(Br)cnc12	ZINC001192939201	948005438	/nfs/dbraw/zinc/00/54/38/948005438.db2.gz	LSQIHIAMUWECPN-UHFFFAOYSA-N	-1	0	316.140	0.757	20	30		DCEDRM
C[S@](=O)C1(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)CCC1	ZINC001570921516	948621903	/nfs/dbraw/zinc/62/19/03/948621903.db2.gz	CYHNNPHNWSLGFB-QFIPXVFZSA-N	-1	0	318.366	0.241	20	30		DCEDRM
N#Cc1ncc(Nc2ccn(CC(F)F)n2)nc1-c1nnn[n-]1	ZINC001570921984	948632002	/nfs/dbraw/zinc/63/20/02/948632002.db2.gz	RRMLSGLMVGEYHO-UHFFFAOYSA-N	-1	0	318.251	0.734	20	30		DCEDRM
CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCO[C@@H]2C)n1	ZINC001264028137	948840109	/nfs/dbraw/zinc/84/01/09/948840109.db2.gz	KYGRNEHXXFBNLS-DGCLKSJQSA-N	-1	0	318.377	0.336	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)c1ccc(C(=O)[O-])cn1)C1CC1	ZINC001602786382	971534445	/nfs/dbraw/zinc/53/44/45/971534445.db2.gz	NQOSJVDWXPVIAV-OAHLLOKOSA-N	-1	0	317.301	0.745	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1	ZINC001488658139	949083436	/nfs/dbraw/zinc/08/34/36/949083436.db2.gz	MAXPDJRQAQWULB-LLVKDONJSA-N	-1	0	305.382	0.899	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@]2(CCOC2)O1	ZINC001589625132	949469569	/nfs/dbraw/zinc/46/95/69/949469569.db2.gz	VTJIOMZOEMDCKO-KCPJHIHWSA-N	-1	0	310.350	0.787	20	30		DCEDRM
CCN(C(=O)C(=O)Nc1cc(C)n(CCC#N)n1)[C@H](C)C(=O)[O-]	ZINC001589696794	950171040	/nfs/dbraw/zinc/17/10/40/950171040.db2.gz	BBDVTVDFWBHYPH-SNVBAGLBSA-N	-1	0	321.337	0.365	20	30		DCEDRM
CSCCO[N-]C(=O)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC001330533180	950489663	/nfs/dbraw/zinc/48/96/63/950489663.db2.gz	HEACMXPRYBRNNI-ZDUSSCGKSA-N	-1	0	319.386	0.552	20	30		DCEDRM
CCC1(CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001365113418	950539751	/nfs/dbraw/zinc/53/97/51/950539751.db2.gz	QRWRKBAGXMZEPR-UHFFFAOYSA-N	-1	0	305.338	0.310	20	30		DCEDRM
CCNc1ccc(C#N)cc1NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001589960185	950733603	/nfs/dbraw/zinc/73/36/03/950733603.db2.gz	LAPUFZCGOVYRAF-UHFFFAOYSA-N	-1	0	314.305	0.918	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(C#N)c1=O	ZINC001365227046	950771696	/nfs/dbraw/zinc/77/16/96/950771696.db2.gz	ZWONLRLIBGVCQC-GHMZBOCLSA-N	-1	0	306.366	0.179	20	30		DCEDRM
CC[C@H]1C(=O)NCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001365272871	950857664	/nfs/dbraw/zinc/85/76/64/950857664.db2.gz	YIEVWDUOXWGUNO-NSHDSACASA-N	-1	0	300.322	0.017	20	30		DCEDRM
O=C([O-])CC1(C(=O)NCC#C[C@H]2CCCCO2)CCOCC1	ZINC001594973756	950891505	/nfs/dbraw/zinc/89/15/05/950891505.db2.gz	FYTVJULXSSSPAS-CYBMUJFWSA-N	-1	0	309.362	0.947	20	30		DCEDRM
CCOC(=O)[C@H](C)N(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001365341653	951001683	/nfs/dbraw/zinc/00/16/83/951001683.db2.gz	ABUGTKDIKDOBIV-VIFPVBQESA-N	-1	0	303.322	0.690	20	30		DCEDRM
CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001331502707	951147209	/nfs/dbraw/zinc/14/72/09/951147209.db2.gz	DMVQLKXIPHETEQ-LBPRGKRZSA-N	-1	0	309.347	0.134	20	30		DCEDRM
C#CCCCC(=O)N1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@H]1C	ZINC001281162399	951341775	/nfs/dbraw/zinc/34/17/75/951341775.db2.gz	AIKJODXDWOJONI-ZYHUDNBSSA-N	-1	0	318.377	0.946	20	30		DCEDRM
NC(=O)[C@H]1COCCC12CN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001274661559	951775607	/nfs/dbraw/zinc/77/56/07/951775607.db2.gz	MYYYNNNLXAVRPK-CYBMUJFWSA-N	-1	0	317.365	0.387	20	30		DCEDRM
C=CC[C@@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001333318055	952001728	/nfs/dbraw/zinc/00/17/28/952001728.db2.gz	PGCFHQJZHBMBIN-CMPLNLGQSA-N	-1	0	307.354	0.327	20	30		DCEDRM
C#CCn1cc(CNC(=O)CC2(C(=O)[O-])CCOCC2)cn1	ZINC001334227781	952264670	/nfs/dbraw/zinc/26/46/70/952264670.db2.gz	AAJMFWJFIPITOH-UHFFFAOYSA-N	-1	0	305.334	0.404	20	30		DCEDRM
C=CC[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C(=O)OCC	ZINC001334723178	952384518	/nfs/dbraw/zinc/38/45/18/952384518.db2.gz	NIDOBQCBGSGEHV-JTQLQIEISA-N	-1	0	304.306	0.260	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)C(=O)OCC	ZINC001334723179	952384776	/nfs/dbraw/zinc/38/47/76/952384776.db2.gz	NIDOBQCBGSGEHV-SNVBAGLBSA-N	-1	0	304.306	0.260	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H]2CCCC(F)(F)C2)c(=O)[n-]c1=O	ZINC001411908294	952532382	/nfs/dbraw/zinc/53/23/82/952532382.db2.gz	LPGBYDDURVJZNL-VIFPVBQESA-N	-1	0	312.276	0.515	20	30		DCEDRM
CC[C@]1(C)COCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001411957314	952567815	/nfs/dbraw/zinc/56/78/15/952567815.db2.gz	QSIBSYHAGXQLHA-OAHLLOKOSA-N	-1	0	320.349	0.238	20	30		DCEDRM
C[C@H]1CC(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)=NO1	ZINC001412009882	952598152	/nfs/dbraw/zinc/59/81/52/952598152.db2.gz	TVCHUYUPLJEEPA-ZETCQYMHSA-N	-1	0	303.278	0.118	20	30		DCEDRM
CCS[C@@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001412370905	952764285	/nfs/dbraw/zinc/76/42/85/952764285.db2.gz	GGLASJQZMQCDBC-LLVKDONJSA-N	-1	0	324.406	0.714	20	30		DCEDRM
C[C@H]1CCCC[C@@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412369526	952766639	/nfs/dbraw/zinc/76/66/39/952766639.db2.gz	CVGRKFONJVPWDF-JQWIXIFHSA-N	-1	0	304.350	0.763	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnn1[C@H]1CCCOC1	ZINC001336832487	952772937	/nfs/dbraw/zinc/77/29/37/952772937.db2.gz	CTVSPXGOMVDULK-MNOVXSKESA-N	-1	0	308.338	0.795	20	30		DCEDRM
Cc1c(C(=O)N2CCC(c3nnn[n-]3)CC2)cnn1CCC#N	ZINC001412490717	952841147	/nfs/dbraw/zinc/84/11/47/952841147.db2.gz	NYGBHPGZXQSVTO-UHFFFAOYSA-N	-1	0	314.353	0.638	20	30		DCEDRM
C[C@@H](O)CC(C)(C)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412597568	952926911	/nfs/dbraw/zinc/92/69/11/952926911.db2.gz	SNAQOVYJGCSHRN-SNVBAGLBSA-N	-1	0	322.365	0.124	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CCS[C@H](C)[C@H]1C	ZINC001339210412	953080864	/nfs/dbraw/zinc/08/08/64/953080864.db2.gz	IJFDQZNBVIZMDW-RKDXNWHRSA-N	-1	0	306.399	0.974	20	30		DCEDRM
CCOC(=O)c1n[nH]c(CNC(=O)C2(C#N)CC3(CC3)C2)n1	ZINC001412835289	953156033	/nfs/dbraw/zinc/15/60/33/953156033.db2.gz	DTZKCVXPLIJDTK-UHFFFAOYSA-N	-1	0	303.322	0.682	20	30		DCEDRM
COCCn1ccc(C(=O)C(C#N)=C([O-])c2nccn2C)n1	ZINC001342593631	953297287	/nfs/dbraw/zinc/29/72/87/953297287.db2.gz	UDULWDPKYGELHE-JTQLQIEISA-N	-1	0	301.306	0.468	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1nn(C)c2c1CCCC2	ZINC001343564597	953354720	/nfs/dbraw/zinc/35/47/20/953354720.db2.gz	YZYBULFTBCPVBN-GFCCVEGCSA-N	-1	0	318.377	0.774	20	30		DCEDRM
C=CCCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O	ZINC001345760689	953719485	/nfs/dbraw/zinc/71/94/85/953719485.db2.gz	ILNSELCEQRRKLY-MNOVXSKESA-N	-1	0	322.365	0.082	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnn1CC(F)(F)F	ZINC001346229829	953827587	/nfs/dbraw/zinc/82/75/87/953827587.db2.gz	YJQHNPPGQYGNIH-QMMMGPOBSA-N	-1	0	318.255	0.530	20	30		DCEDRM
C[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCS1(=O)=O	ZINC001589334880	953983882	/nfs/dbraw/zinc/98/38/82/953983882.db2.gz	BILQJFDSWXVJAQ-CABZTGNLSA-N	-1	0	302.352	0.027	20	30		DCEDRM
C=CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@H]1CCCCO1	ZINC001347158696	954035214	/nfs/dbraw/zinc/03/52/14/954035214.db2.gz	IUOKSTQFJGBBNS-LLVKDONJSA-N	-1	0	318.381	0.693	20	30		DCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001593691830	954041235	/nfs/dbraw/zinc/04/12/35/954041235.db2.gz	AWUZFFFVNUOKFL-OAHLLOKOSA-N	-1	0	305.334	0.724	20	30		DCEDRM
C=CC[C@H](NC(=O)N[C@H](COC)[C@@H]1CCCOC1)C(=O)[O-]	ZINC001350694292	955169158	/nfs/dbraw/zinc/16/91/58/955169158.db2.gz	YMMIEYATUGRGBE-GRYCIOLGSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCOCC(=O)N(CC)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001284608922	955197175	/nfs/dbraw/zinc/19/71/75/955197175.db2.gz	JRMMUZZXSDCGOX-UHFFFAOYSA-N	-1	0	310.354	0.205	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC(CNC(=O)C#CC(C)(C)C)C2)c1[O-]	ZINC001284964240	955362697	/nfs/dbraw/zinc/36/26/97/955362697.db2.gz	BHWISBKTADTZNB-UHFFFAOYSA-N	-1	0	318.377	0.661	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)Cc1ccccc1CC#N)C(=O)[O-]	ZINC001593844604	955398164	/nfs/dbraw/zinc/39/81/64/955398164.db2.gz	ZCZTZMHTPOIJFP-ZDUSSCGKSA-N	-1	0	318.329	0.818	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC001593844947	955402170	/nfs/dbraw/zinc/40/21/70/955402170.db2.gz	ANFWASZATADFOE-LBPRGKRZSA-N	-1	0	319.317	0.493	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]n2c(C)nc3sccc3c2=O)nn1	ZINC001352015949	955489781	/nfs/dbraw/zinc/48/97/81/955489781.db2.gz	CWXNKHYAIKBHDF-UHFFFAOYSA-N	-1	0	316.346	0.928	20	30		DCEDRM
Cc1nn(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)c2ncccc12	ZINC001300044792	955657782	/nfs/dbraw/zinc/65/77/82/955657782.db2.gz	LXVBHFCIXWPKEU-UHFFFAOYSA-N	-1	0	306.289	0.845	20	30		DCEDRM
COC(=O)c1cccc(CN2CCOC[C@H]2C(=O)[O-])c1C#N	ZINC001593884570	955734024	/nfs/dbraw/zinc/73/40/24/955734024.db2.gz	DSLFDBHOLGKGJA-ZDUSSCGKSA-N	-1	0	304.302	0.630	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001352803160	955772389	/nfs/dbraw/zinc/77/23/89/955772389.db2.gz	PNTOFJMFSYSUNK-WDEREUQCSA-N	-1	0	322.365	0.346	20	30		DCEDRM
COC(=O)c1n[nH]c2c1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC001593894917	955818866	/nfs/dbraw/zinc/81/88/66/955818866.db2.gz	KDZURGFHGBXMCX-AWEZNQCLSA-N	-1	0	320.305	0.086	20	30		DCEDRM
C=CCO[N-]C(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F	ZINC001353700799	956151044	/nfs/dbraw/zinc/15/10/44/956151044.db2.gz	JOHWNRPNMLKOSQ-JSGCOSHPSA-N	-1	0	322.336	0.564	20	30		DCEDRM
N#CC1(CNC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1	ZINC001594603592	956155627	/nfs/dbraw/zinc/15/56/27/956155627.db2.gz	GAOLYAVSMREDMT-SNVBAGLBSA-N	-1	0	308.338	0.055	20	30		DCEDRM
N#CC1(CNC(=O)c2cccn(CC(=O)[O-])c2=O)CCCC1	ZINC001594604094	956160429	/nfs/dbraw/zinc/16/04/29/956160429.db2.gz	OHNVQSFJBCISGB-UHFFFAOYSA-N	-1	0	303.318	0.747	20	30		DCEDRM
N#CCOc1cccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC001594609560	956193562	/nfs/dbraw/zinc/19/35/62/956193562.db2.gz	DKIIBAVODOQKRS-CYBMUJFWSA-N	-1	0	319.317	0.584	20	30		DCEDRM
N#CCc1ccc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC001594611721	956219448	/nfs/dbraw/zinc/21/94/48/956219448.db2.gz	ZTSRLFAZTYTIPA-ZDUSSCGKSA-N	-1	0	323.374	0.636	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)ccc1F	ZINC001594614154	956228239	/nfs/dbraw/zinc/22/82/39/956228239.db2.gz	KBGXLQHAEUPQNR-UHFFFAOYSA-N	-1	0	305.265	0.066	20	30		DCEDRM
C[C@@](O)(CNC(=O)Nc1ncccc1OCCCC#N)C(=O)[O-]	ZINC001589144743	956282294	/nfs/dbraw/zinc/28/22/94/956282294.db2.gz	UVECELGYEKICGM-CQSZACIVSA-N	-1	0	322.321	0.721	20	30		DCEDRM
N#Cc1ccc(OCC(=O)Nc2ncn(CC(=O)[O-])n2)cc1	ZINC001594624055	956301120	/nfs/dbraw/zinc/30/11/20/956301120.db2.gz	PBXYWLIYJNFFGV-UHFFFAOYSA-N	-1	0	301.262	0.252	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(c2ccc(Cl)c(C#N)n2)CCO1	ZINC001593983717	956736768	/nfs/dbraw/zinc/73/67/68/956736768.db2.gz	BOHLKEXYZGZOKE-ZDUSSCGKSA-N	-1	0	311.725	0.913	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)Nc1ccc(C#N)cc1F)C(=O)[O-]	ZINC001603144545	972239609	/nfs/dbraw/zinc/23/96/09/972239609.db2.gz	AHXBEKLCKRJRCY-MRVPVSSYSA-N	-1	0	307.281	0.815	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)NC[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001357018770	957180830	/nfs/dbraw/zinc/18/08/30/957180830.db2.gz	VPRLKGLKRZVMBP-KOLCDFICSA-N	-1	0	324.381	0.497	20	30		DCEDRM
COc1cccc([C@H](C#N)NC(=O)CCc2nnn[n-]2)c1OC	ZINC001293084238	957264042	/nfs/dbraw/zinc/26/40/42/957264042.db2.gz	QWJQNUFDFOKYTP-JTQLQIEISA-N	-1	0	316.321	0.531	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNC(=O)CSCC#N)c1[O-]	ZINC001357591985	957325298	/nfs/dbraw/zinc/32/52/98/957325298.db2.gz	BJKLFGPSHVFFDH-IHWYPQMZSA-N	-1	0	323.378	0.083	20	30		DCEDRM
CCSCC[C@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001294033993	957467958	/nfs/dbraw/zinc/46/79/58/957467958.db2.gz	KILVWJXRPAWZGD-JTQLQIEISA-N	-1	0	324.406	0.859	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000070446541	957673902	/nfs/dbraw/zinc/67/39/02/957673902.db2.gz	NOXHSTJSSCGYCU-SSDOTTSWSA-N	-1	0	300.340	0.587	20	30		DCEDRM
COCCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001594024830	957700611	/nfs/dbraw/zinc/70/06/11/957700611.db2.gz	XOZUTWGPBYKEIR-HBNTYKKESA-N	-1	0	305.338	0.462	20	30		DCEDRM
C#C[C@H](CC)NC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001588388350	957993760	/nfs/dbraw/zinc/99/37/60/957993760.db2.gz	RUUWOESCGWFQOC-YZUGKSJVSA-N	-1	0	322.361	0.694	20	30		DCEDRM
C#CCN(CC#N)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC001588394527	958034714	/nfs/dbraw/zinc/03/47/14/958034714.db2.gz	FUDAMXNSMLKFJB-CQSZACIVSA-N	-1	0	310.313	0.691	20	30		DCEDRM
C#CCN(C(=O)C(=O)NCc1ccccc1C(=O)[O-])C(C)C	ZINC001588396019	958045363	/nfs/dbraw/zinc/04/53/63/958045363.db2.gz	NTWSRPQDPSDSKL-UHFFFAOYSA-N	-1	0	302.330	0.871	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1nc2c(s1)CCCC2	ZINC001588397525	958059566	/nfs/dbraw/zinc/05/95/66/958059566.db2.gz	KUUDNRCNFQZFLC-UHFFFAOYSA-N	-1	0	321.358	0.507	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C1(c2cc(C)no2)CCOCC1	ZINC001588399342	958072423	/nfs/dbraw/zinc/07/24/23/958072423.db2.gz	JEGZOKXUKSIRBM-UHFFFAOYSA-N	-1	0	306.318	0.578	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC(=O)N1CCc2ccccc21	ZINC001588409785	958132180	/nfs/dbraw/zinc/13/21/80/958132180.db2.gz	JRRNIOBXNLZFEZ-UHFFFAOYSA-N	-1	0	315.329	0.305	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001297192771	958177337	/nfs/dbraw/zinc/17/73/37/958177337.db2.gz	SZJVXEVEHCDMQZ-JTQLQIEISA-N	-1	0	322.365	0.203	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(C)nc1-c1cnn(CC)c1	ZINC001588418335	958178029	/nfs/dbraw/zinc/17/80/29/958178029.db2.gz	ANEHCWANBDBAMA-UHFFFAOYSA-N	-1	0	315.333	0.464	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(Cc2cccs2)nn1	ZINC001588418811	958187016	/nfs/dbraw/zinc/18/70/16/958187016.db2.gz	UETYGCPDDJOLCL-UHFFFAOYSA-N	-1	0	304.331	0.548	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)N[C@H](C)c1ccccc1OC	ZINC001588420220	958202375	/nfs/dbraw/zinc/20/23/75/958202375.db2.gz	QQMOIEXFUPHRCW-GFCCVEGCSA-N	-1	0	304.346	0.892	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)Nc1cccc(C(=O)NC)c1	ZINC001588420338	958202733	/nfs/dbraw/zinc/20/27/33/958202733.db2.gz	WQJYSRJQHFFCRA-LLVKDONJSA-N	-1	0	317.345	0.393	20	30		DCEDRM
C[C@@H]1CCC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C	ZINC001361701850	958233170	/nfs/dbraw/zinc/23/31/70/958233170.db2.gz	QIIWBFISMSTASP-FOGDFJRCSA-N	-1	0	304.350	0.761	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)c2ccc(F)cc2)n1C	ZINC001588426908	958235026	/nfs/dbraw/zinc/23/50/26/958235026.db2.gz	GLKOKYFFKSIUGX-CYBMUJFWSA-N	-1	0	318.308	0.560	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](C)c2cnn(C)c2)n1CC	ZINC001588427133	958240457	/nfs/dbraw/zinc/24/04/57/958240457.db2.gz	NGELDWACCQDYRZ-LLVKDONJSA-N	-1	0	316.365	0.708	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CC2CC2)n1C[C@@H]1CCCO1	ZINC001588427395	958243819	/nfs/dbraw/zinc/24/38/19/958243819.db2.gz	VXHANJZVDKSFDL-ZDUSSCGKSA-N	-1	0	318.377	0.934	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2(OC)CCOCC2)n1CC	ZINC001588427352	958245040	/nfs/dbraw/zinc/24/50/40/958245040.db2.gz	UUSDKIYHIQDKIC-UHFFFAOYSA-N	-1	0	322.365	0.474	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1	ZINC001588431254	958266178	/nfs/dbraw/zinc/26/61/78/958266178.db2.gz	VBPRXPAWFZRYSQ-UHFFFAOYSA-N	-1	0	315.329	0.381	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1	ZINC001588432753	958288234	/nfs/dbraw/zinc/28/82/34/958288234.db2.gz	BUNSHYYFIXUVEV-MKBNYLNASA-N	-1	0	306.362	0.618	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC001588433470	958297621	/nfs/dbraw/zinc/29/76/21/958297621.db2.gz	RBIWEAIVJZSZNQ-JHJVBQTASA-N	-1	0	306.362	0.618	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)N[C@H](C)CC(=O)[O-])c1	ZINC001588439215	958313390	/nfs/dbraw/zinc/31/33/90/958313390.db2.gz	JQMNNXTXWDGWKM-SNVBAGLBSA-N	-1	0	303.318	0.769	20	30		DCEDRM
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](C#N)CO)n1	ZINC001297880968	958354254	/nfs/dbraw/zinc/35/42/54/958354254.db2.gz	ZMQHUZAVJOHJOB-JTQLQIEISA-N	-1	0	304.281	0.640	20	30		DCEDRM
C=C1CCN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1	ZINC001588445747	958375460	/nfs/dbraw/zinc/37/54/60/958375460.db2.gz	QMVMCERMZGJSJI-LBPRGKRZSA-N	-1	0	309.366	0.814	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001588450809	958400850	/nfs/dbraw/zinc/40/08/50/958400850.db2.gz	CURPPVFZYKZOET-LBPRGKRZSA-N	-1	0	306.318	0.318	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC001573318183	958461062	/nfs/dbraw/zinc/46/10/62/958461062.db2.gz	MMRYRVFDWYKDLG-GFCCVEGCSA-N	-1	0	306.362	0.714	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C12CC(C1)CN2C(=O)OC(C)(C)C	ZINC001573319028	958469663	/nfs/dbraw/zinc/46/96/63/958469663.db2.gz	UPLLKMUDKBVPLW-UHFFFAOYSA-N	-1	0	322.361	0.932	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588463420	958484972	/nfs/dbraw/zinc/48/49/72/958484972.db2.gz	QSJWDXWOARTZMQ-UHFFFAOYSA-N	-1	0	307.306	0.379	20	30		DCEDRM
C=CCOCCCC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001588465171	958497813	/nfs/dbraw/zinc/49/78/13/958497813.db2.gz	NWXINQYFBVWFPN-AWEZNQCLSA-N	-1	0	301.339	0.298	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001588465635	958507096	/nfs/dbraw/zinc/50/70/96/958507096.db2.gz	VSPPWQMOPARCDF-RMLUDKJBSA-N	-1	0	312.322	0.431	20	30		DCEDRM
C=CCOc1cccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c1	ZINC001588469862	958521716	/nfs/dbraw/zinc/52/17/16/958521716.db2.gz	ZUCHFIMSQAPPPV-HNNXBMFYSA-N	-1	0	322.317	0.142	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588472074	958538494	/nfs/dbraw/zinc/53/84/94/958538494.db2.gz	JGNIZZRQZLFQHK-IJLUTSLNSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C=CCn1c([C@H](C)O)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588474394	958556694	/nfs/dbraw/zinc/55/66/94/958556694.db2.gz	ISGGSNYPJBILSD-IMSIIYSGSA-N	-1	0	308.338	0.055	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](N2CCCC2=O)CC1	ZINC001573359627	958585361	/nfs/dbraw/zinc/58/53/61/958585361.db2.gz	FHRFSRFKPJZDAR-MLGOLLRUSA-N	-1	0	321.377	0.994	20	30		DCEDRM
CN(Cc1nccs1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362068583	958687261	/nfs/dbraw/zinc/68/72/61/958687261.db2.gz	LTKZHDWOLSKETQ-UHFFFAOYSA-N	-1	0	319.346	0.326	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC1CCC(C(N)=O)CC1	ZINC001362113689	958759702	/nfs/dbraw/zinc/75/97/02/958759702.db2.gz	WCHLTOUANSJLKN-UHFFFAOYSA-N	-1	0	302.334	0.741	20	30		DCEDRM
COC(=O)Cc1nc(NC(=O)c2ccc(C#N)cc2OC)n[nH]1	ZINC001362159107	958844392	/nfs/dbraw/zinc/84/43/92/958844392.db2.gz	CLBFMPAFAYCWDO-UHFFFAOYSA-N	-1	0	315.289	0.653	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccccc1S(C)(=O)=O	ZINC001588542317	958970698	/nfs/dbraw/zinc/97/06/98/958970698.db2.gz	WPFDROSKUNJGSJ-AWEZNQCLSA-N	-1	0	324.358	0.711	20	30		DCEDRM
C[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)n1cnc(C#N)n1	ZINC001588549062	959007961	/nfs/dbraw/zinc/00/79/61/959007961.db2.gz	RBRASXARPRNLAO-WDEREUQCSA-N	-1	0	305.338	0.814	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(S(C)(=O)=O)CCC1	ZINC001588556311	959054623	/nfs/dbraw/zinc/05/46/23/959054623.db2.gz	AQLREQUQZAAJJA-NSHDSACASA-N	-1	0	302.352	0.074	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CCNC(=O)C(C)C	ZINC001362306496	959110113	/nfs/dbraw/zinc/11/01/13/959110113.db2.gz	KGSKJNHSMONRBT-UHFFFAOYSA-N	-1	0	304.350	0.812	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001491758084	959190349	/nfs/dbraw/zinc/19/03/49/959190349.db2.gz	POQIMWJTGFGMLL-AWEZNQCLSA-N	-1	0	323.353	0.121	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@H](CO)COC(C)C	ZINC001362360733	959211225	/nfs/dbraw/zinc/21/12/25/959211225.db2.gz	VPKGCZNAWUIGKM-GFCCVEGCSA-N	-1	0	307.350	0.825	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cn1	ZINC001362405851	959292431	/nfs/dbraw/zinc/29/24/31/959292431.db2.gz	ILJSSNUUUBIKCF-SNVBAGLBSA-N	-1	0	301.335	0.397	20	30		DCEDRM
N#Cc1c(F)cc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1F	ZINC001362412792	959307539	/nfs/dbraw/zinc/30/75/39/959307539.db2.gz	YNLDBVREMLDZAB-UHFFFAOYSA-N	-1	0	307.216	0.363	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1([S@](C)=O)CCC1	ZINC001362449251	959377750	/nfs/dbraw/zinc/37/77/50/959377750.db2.gz	DMSNJUKGSYKNSO-NRFANRHFSA-N	-1	0	307.375	0.998	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N(C)C[C@H](C)c1nnn[n-]1	ZINC001362491331	959459257	/nfs/dbraw/zinc/45/92/57/959459257.db2.gz	VTANMCHROYTUHQ-VIFPVBQESA-N	-1	0	300.322	0.956	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1	ZINC001362500138	959473949	/nfs/dbraw/zinc/47/39/49/959473949.db2.gz	KLMBEMAZNRNPAV-CQSZACIVSA-N	-1	0	317.280	0.344	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c(=O)[n-]c1=O	ZINC001362685355	959826208	/nfs/dbraw/zinc/82/62/08/959826208.db2.gz	BFIZWFSVSBBHLW-CNDDSTCGSA-N	-1	0	316.361	0.763	20	30		DCEDRM
CCCC[C@H](O)CCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362689192	959836027	/nfs/dbraw/zinc/83/60/27/959836027.db2.gz	PKQLYJRUSMTPDV-LBPRGKRZSA-N	-1	0	322.365	0.268	20	30		DCEDRM
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001362886145	960133785	/nfs/dbraw/zinc/13/37/85/960133785.db2.gz	LSQYIBUQHDBOJW-NSHDSACASA-N	-1	0	311.301	0.962	20	30		DCEDRM
CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362970623	960242227	/nfs/dbraw/zinc/24/22/27/960242227.db2.gz	OATMSBIKMOEEBK-NSHDSACASA-N	-1	0	315.337	0.674	20	30		DCEDRM
N#Cc1c(F)cc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1F	ZINC001363012572	960298042	/nfs/dbraw/zinc/29/80/42/960298042.db2.gz	OIXCCGXEMPETFG-UHFFFAOYSA-N	-1	0	309.232	0.156	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](CO)OC(C)(C)C1	ZINC001363094855	960393109	/nfs/dbraw/zinc/39/31/09/960393109.db2.gz	ZSEBPXHUUUHANR-LLVKDONJSA-N	-1	0	305.334	0.579	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)c(=O)[n-]c1=O	ZINC001363098181	960397743	/nfs/dbraw/zinc/39/77/43/960397743.db2.gz	VZRLTWWYRMRNEH-MDZLAQPJSA-N	-1	0	316.361	0.763	20	30		DCEDRM
Cc1ccoc1CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363125728	960435847	/nfs/dbraw/zinc/43/58/47/960435847.db2.gz	BJUZGPNKNYUNFP-UHFFFAOYSA-N	-1	0	302.290	0.081	20	30		DCEDRM
N#Cc1c(F)cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1F	ZINC001363205438	960602309	/nfs/dbraw/zinc/60/23/09/960602309.db2.gz	SBYXDPRLERKBLR-NSHDSACASA-N	-1	0	320.259	0.563	20	30		DCEDRM
CC1(C)CC(=O)CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001363245912	960691722	/nfs/dbraw/zinc/69/17/22/960691722.db2.gz	KGKHTDBALNNQLA-UHFFFAOYSA-N	-1	0	318.333	0.038	20	30		DCEDRM
CN(C[C@@H](O)c1cccc(C#N)c1)[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001604125055	972531231	/nfs/dbraw/zinc/53/12/31/972531231.db2.gz	YOPNFJLCFUOWRC-ZIAGYGMSSA-N	-1	0	317.345	0.209	20	30		DCEDRM
CN(C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CCCCC1	ZINC001464112129	1013199049	/nfs/dbraw/zinc/19/90/49/1013199049.db2.gz	OJDFIZXUUXUPMQ-UHFFFAOYSA-N	-1	0	319.365	0.795	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	ZINC001571072024	960908299	/nfs/dbraw/zinc/90/82/99/960908299.db2.gz	HZGDTERMKIFNQV-VFZGTOFNSA-N	-1	0	300.318	0.743	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]1C(=O)[O-]	ZINC001571079478	960979952	/nfs/dbraw/zinc/97/99/52/960979952.db2.gz	GBSHHMUNKBCHKA-LBPRGKRZSA-N	-1	0	303.318	0.894	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](O)[C@@H](C)O	ZINC001363363629	960986309	/nfs/dbraw/zinc/98/63/09/960986309.db2.gz	JXEGTOLIDUHYCN-ZWNOBZJWSA-N	-1	0	307.350	0.066	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)NCc1ncc(C(=O)[O-])s1	ZINC001571081828	961019573	/nfs/dbraw/zinc/01/95/73/961019573.db2.gz	UGXAUQXNZFPOAJ-UHFFFAOYSA-N	-1	0	303.365	0.810	20	30		DCEDRM
CC(C)(C)OC(=O)CN(CCC(=O)[O-])c1nnccc1C#N	ZINC001571092640	961124317	/nfs/dbraw/zinc/12/43/17/961124317.db2.gz	WNFDDBBRVBLILI-UHFFFAOYSA-N	-1	0	306.322	0.971	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001571111486	961331659	/nfs/dbraw/zinc/33/16/59/961331659.db2.gz	MBVHPYLGPXDOED-UHFFFAOYSA-N	-1	0	311.301	0.854	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C1(N2CCOCC2)CCC1)C(=O)[O-]	ZINC001332146603	961480113	/nfs/dbraw/zinc/48/01/13/961480113.db2.gz	ATYRFKVHDOEAOI-LBPRGKRZSA-N	-1	0	312.366	0.013	20	30		DCEDRM
N#CC1(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])CCSCC1	ZINC001571124066	961480551	/nfs/dbraw/zinc/48/05/51/961480551.db2.gz	YPXNHZADIVPLOE-SECBINFHSA-N	-1	0	314.363	0.356	20	30		DCEDRM
COC(=O)CC[C@@H](NC(=O)c1ccc(C#N)cc1OC)C(=O)[O-]	ZINC001571144917	961717797	/nfs/dbraw/zinc/71/77/97/961717797.db2.gz	BJENXCKPTCSDRZ-LLVKDONJSA-N	-1	0	320.301	0.703	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCO[C@H](c3ccco3)C2)c(C#N)c1=O	ZINC001363723897	961764461	/nfs/dbraw/zinc/76/44/61/961764461.db2.gz	ARPRKZSSYSCSGS-NSHDSACASA-N	-1	0	302.290	0.116	20	30		DCEDRM
C[C@]1(C#N)CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1	ZINC001363743102	961796244	/nfs/dbraw/zinc/79/62/44/961796244.db2.gz	LSPONUOWUUBYIQ-AWEZNQCLSA-N	-1	0	315.289	0.191	20	30		DCEDRM
C[C@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)c1nn(C)cc1[O-]	ZINC001363832878	961982179	/nfs/dbraw/zinc/98/21/79/961982179.db2.gz	POQLENDMYRNSDF-LKFCYVNXSA-N	-1	0	300.318	0.908	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](O)[C@@H](F)C2)cc1C#N	ZINC001363918080	962126249	/nfs/dbraw/zinc/12/62/49/962126249.db2.gz	UQCYTYHWZLBFIM-VHSXEESVSA-N	-1	0	311.338	0.926	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@]23C[C@H]2CCCC3)c(=O)[n-]c1=O	ZINC001364107423	962484653	/nfs/dbraw/zinc/48/46/53/962484653.db2.gz	IVTVHFWVCPNHPV-IAQYHMDHSA-N	-1	0	302.334	0.517	20	30		DCEDRM
CCNC(=O)c1cccc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001364130067	962528903	/nfs/dbraw/zinc/52/89/03/962528903.db2.gz	DBZXSNDBAVJOLD-UHFFFAOYSA-N	-1	0	314.301	0.487	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@@H](c3ncc[nH]3)C2)c(C#N)c1=O	ZINC001364165905	962595782	/nfs/dbraw/zinc/59/57/82/962595782.db2.gz	OYKIBURWPJXRQB-SECBINFHSA-N	-1	0	300.322	0.052	20	30		DCEDRM
C#CCCCCC(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])[C@H](C)C1	ZINC001573303262	962673850	/nfs/dbraw/zinc/67/38/50/962673850.db2.gz	NCODGLRGDIKJBR-OLZOCXBDSA-N	-1	0	323.393	0.801	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	ZINC001573324382	962783817	/nfs/dbraw/zinc/78/38/17/962783817.db2.gz	REVWOBNONBVDNT-VIFPVBQESA-N	-1	0	310.397	0.502	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N[C@H]1CCN(C(=O)CNC(=O)[O-])C1	ZINC001573338470	962875522	/nfs/dbraw/zinc/87/55/22/962875522.db2.gz	BPKQSROEIDIWLF-VIFPVBQESA-N	-1	0	317.773	0.750	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)C[C@@H](OC)c1ccccc1)C(=O)[O-]	ZINC000296822069	962919112	/nfs/dbraw/zinc/91/91/12/962919112.db2.gz	CVDLFBXEVZVLSC-QWHCGFSZSA-N	-1	0	311.359	0.770	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001573356515	963007493	/nfs/dbraw/zinc/00/74/93/963007493.db2.gz	DBLYINMXOVDESZ-SNVBAGLBSA-N	-1	0	323.305	0.682	20	30		DCEDRM
C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC001588447905	964091148	/nfs/dbraw/zinc/09/11/48/964091148.db2.gz	SQVCXJRWMFSXMP-OLZOCXBDSA-N	-1	0	324.377	0.054	20	30		DCEDRM
CNC(=O)[C@@]1(C)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001448610270	1013966945	/nfs/dbraw/zinc/96/69/45/1013966945.db2.gz	FIIZXQGBARMEME-HNNXBMFYSA-N	-1	0	302.334	0.566	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000320147785	970621624	/nfs/dbraw/zinc/62/16/24/970621624.db2.gz	CJWHJHMCMKWWLY-SECBINFHSA-N	-1	0	303.311	0.739	20	30		DCEDRM
C[C@]1(C#N)CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	ZINC001603290436	972545221	/nfs/dbraw/zinc/54/52/21/972545221.db2.gz	MKKFXGDDIYJKNI-CMPLNLGQSA-N	-1	0	301.368	0.406	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1	ZINC001603329361	972693954	/nfs/dbraw/zinc/69/39/54/972693954.db2.gz	KOZRCBHILOCGRQ-LSDHHAIUSA-N	-1	0	310.350	0.787	20	30		DCEDRM
N#Cc1cc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)ccn1	ZINC001448872706	1014078746	/nfs/dbraw/zinc/07/87/46/1014078746.db2.gz	AUWRGFQCAWORAM-UHFFFAOYSA-N	-1	0	302.294	0.053	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)s1	ZINC000401979431	973588254	/nfs/dbraw/zinc/58/82/54/973588254.db2.gz	ZRWRQJVZHFIFIF-SFYZADRCSA-N	-1	0	316.360	0.076	20	30		DCEDRM
N#C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C(=O)[O-])C1	ZINC001605582873	973868597	/nfs/dbraw/zinc/86/85/97/973868597.db2.gz	HDDLBOXWMDFBRV-NSHDSACASA-N	-1	0	315.329	0.763	20	30		DCEDRM
N#Cc1cc(CNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)ccn1	ZINC001605591994	973891887	/nfs/dbraw/zinc/89/18/87/973891887.db2.gz	MPEQWUYTWFQRHP-AAEUAGOBSA-N	-1	0	303.318	0.839	20	30		DCEDRM
N#Cc1cn(CCS(=O)(=O)CC(=O)[O-])c2ccccc2c1=O	ZINC001605623171	973949756	/nfs/dbraw/zinc/94/97/56/973949756.db2.gz	ZOWDECDQHLIAEO-UHFFFAOYSA-N	-1	0	320.326	0.373	20	30		DCEDRM
CCOCc1nc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])no1	ZINC001603843492	974348718	/nfs/dbraw/zinc/34/87/18/974348718.db2.gz	SGZHFYWBUDAKPH-AMIZOPFISA-N	-1	0	310.310	0.788	20	30		DCEDRM
C[C@@H](CC(=O)[O-])CC(=O)N(C)CCCc1[nH]nc(N)c1C#N	ZINC001592371528	977894677	/nfs/dbraw/zinc/89/46/77/977894677.db2.gz	PJTDXQHXYVMIOI-SECBINFHSA-N	-1	0	307.354	0.755	20	30		DCEDRM
C[C@@H](CCC#N)c1nnc(N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1C	ZINC001592470454	978222612	/nfs/dbraw/zinc/22/26/12/978222612.db2.gz	IWLMJHJVCBPWDH-DCAQKATOSA-N	-1	0	307.354	0.901	20	30		DCEDRM
C[C@H](CN(C)C(=O)C#CC1CC1)Nc1ccnc(C(=O)[O-])n1	ZINC001592563996	978456753	/nfs/dbraw/zinc/45/67/53/978456753.db2.gz	OGCVDWBXKZCNKF-SNVBAGLBSA-N	-1	0	302.334	0.269	20	30		DCEDRM
N#Cc1ccc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)nc1	ZINC000738430740	978537080	/nfs/dbraw/zinc/53/70/80/978537080.db2.gz	OGOYNCMPUADVEB-UHFFFAOYSA-N	-1	0	317.301	0.433	20	30		DCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001592834546	979576502	/nfs/dbraw/zinc/57/65/02/979576502.db2.gz	RGFLYGCGUXNKQM-ZDUSSCGKSA-N	-1	0	315.373	0.966	20	30		DCEDRM
C#CCCCC(=O)N1CCCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001523172619	1014595837	/nfs/dbraw/zinc/59/58/37/1014595837.db2.gz	VUFZTKHNLWKNTA-UHFFFAOYSA-N	-1	0	318.377	0.902	20	30		DCEDRM
C[C@](Cn1cccn1)(NC(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC001592916859	979892234	/nfs/dbraw/zinc/89/22/34/979892234.db2.gz	KMARAWFZMVRAPV-OAHLLOKOSA-N	-1	0	313.317	0.352	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H](NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001523305518	1014639966	/nfs/dbraw/zinc/63/99/66/1014639966.db2.gz	XLXLIRYGGKWLFQ-LBPRGKRZSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ncn(C)n1	ZINC001593052762	980357816	/nfs/dbraw/zinc/35/78/16/980357816.db2.gz	RVBKNIZXZFTLDA-VIFPVBQESA-N	-1	0	306.326	0.276	20	30		DCEDRM
C#C[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC001588371218	983325648	/nfs/dbraw/zinc/32/56/48/983325648.db2.gz	ZAONNCBNOQVGDO-SECBINFHSA-N	-1	0	308.290	0.518	20	30		DCEDRM
C#C[C@@H](NC(=O)Nc1cc(C(=O)[O-])nn1C)C1CCOCC1	ZINC001588373281	983337190	/nfs/dbraw/zinc/33/71/90/983337190.db2.gz	CLBVDDGQEZIKRK-SNVBAGLBSA-N	-1	0	306.322	0.668	20	30		DCEDRM
C#CC1(O)CCN(S(=O)(=O)CCCCCC(=O)[O-])CC1	ZINC001588379848	983365925	/nfs/dbraw/zinc/36/59/25/983365925.db2.gz	UFTYVOGPWWRHSA-UHFFFAOYSA-N	-1	0	303.380	0.421	20	30		DCEDRM
C#CC1CCN(C(=O)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC1	ZINC001588382546	983372072	/nfs/dbraw/zinc/37/20/72/983372072.db2.gz	CDPNGTUCTLUQEU-DYVFJYSZSA-N	-1	0	318.373	0.714	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)NCc1ccc(C(=O)[O-])c(OC)c1	ZINC001588384006	983386550	/nfs/dbraw/zinc/38/65/50/983386550.db2.gz	RUXPPVZWVHMTMU-LBPRGKRZSA-N	-1	0	318.329	0.937	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC001588384097	983387063	/nfs/dbraw/zinc/38/70/63/983387063.db2.gz	VIGKEJGTWBHUPD-SECBINFHSA-N	-1	0	313.331	0.563	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588389937	983389896	/nfs/dbraw/zinc/38/98/96/983389896.db2.gz	GFKDXGNSTCWPCP-UPJWGTAASA-N	-1	0	324.377	0.100	20	30		DCEDRM
C#CC[C@@H](Cc1ccccc1)NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC001588396631	983409275	/nfs/dbraw/zinc/40/92/75/983409275.db2.gz	ZXUGTKACMFHSPJ-ZDUSSCGKSA-N	-1	0	312.329	0.727	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H](CCSC)NC(=O)CC)C(=O)[O-]	ZINC001588398040	983410610	/nfs/dbraw/zinc/41/06/10/983410610.db2.gz	BJZGWFFEDCDSEI-NXEZZACHSA-N	-1	0	300.380	0.227	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1)C(=O)[O-]	ZINC001588398847	983414323	/nfs/dbraw/zinc/41/43/23/983414323.db2.gz	NNHSIWOASLABNV-DYVFJYSZSA-N	-1	0	314.341	0.427	20	30		DCEDRM
C#CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-]	ZINC001588404396	983417893	/nfs/dbraw/zinc/41/78/93/983417893.db2.gz	BADMWRYYJGTINI-LLVKDONJSA-N	-1	0	306.274	0.875	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1c(Br)cnn1C)C(=O)[O-]	ZINC001588406239	983424754	/nfs/dbraw/zinc/42/47/54/983424754.db2.gz	ZSVMJFWZLVUFIZ-QMMMGPOBSA-N	-1	0	314.139	0.318	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](C)NC(=O)CCc1ccccc1)C(=O)[O-]	ZINC001588408153	983431148	/nfs/dbraw/zinc/43/11/48/983431148.db2.gz	ZIQPUNRFRNNNMD-OCCSQVGLSA-N	-1	0	316.357	0.717	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(C=O)c(OC)cc1OC)C(=O)[O-]	ZINC001588414793	983435199	/nfs/dbraw/zinc/43/51/99/983435199.db2.gz	ZYLDGTVXUAQHTP-NSHDSACASA-N	-1	0	305.286	0.723	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccnc(NC(=O)C(C)C)c1)C(=O)[O-]	ZINC001588417109	983438708	/nfs/dbraw/zinc/43/87/08/983438708.db2.gz	YGMXSGQAPIAFQF-NSHDSACASA-N	-1	0	303.318	0.882	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1csc(S(C)(=O)=O)c1)C(=O)[O-]	ZINC001588421288	983440158	/nfs/dbraw/zinc/44/01/58/983440158.db2.gz	FZDQVMCUJSKTFO-MRVPVSSYSA-N	-1	0	301.345	0.358	20	30		DCEDRM
C#CCC1(NS(=O)(=O)c2cc(C(=O)[O-])co2)CCOCC1	ZINC001588427890	983458595	/nfs/dbraw/zinc/45/85/95/983458595.db2.gz	QKJWOQVBPCPPSM-UHFFFAOYSA-N	-1	0	313.331	0.829	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])C1	ZINC001588430658	983463839	/nfs/dbraw/zinc/46/38/39/983463839.db2.gz	ANCDZYOAVKWHBV-CHWSQXEVSA-N	-1	0	306.362	0.714	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001588433938	983468647	/nfs/dbraw/zinc/46/86/47/983468647.db2.gz	DAXRVQGTDQZWIR-GFCCVEGCSA-N	-1	0	318.329	0.522	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001588435174	983475147	/nfs/dbraw/zinc/47/51/47/983475147.db2.gz	FWRLVQUQRWTHQL-SNVBAGLBSA-N	-1	0	315.322	0.577	20	30		DCEDRM
C#CCCS(=O)(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1	ZINC001588458821	983484088	/nfs/dbraw/zinc/48/40/88/983484088.db2.gz	UNSAXXPNOMCMJI-VIFPVBQESA-N	-1	0	314.388	0.984	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC001588464937	983495313	/nfs/dbraw/zinc/49/53/13/983495313.db2.gz	VYDSKADDZZTKPH-UHFFFAOYSA-N	-1	0	304.327	0.870	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001588464945	983495345	/nfs/dbraw/zinc/49/53/45/983495345.db2.gz	WZSOOVYGEYXOEF-UHFFFAOYSA-N	-1	0	301.302	0.445	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C(=O)[O-])on1	ZINC001588465864	983497128	/nfs/dbraw/zinc/49/71/28/983497128.db2.gz	KWOVURBZOFDFMB-UHFFFAOYSA-N	-1	0	308.290	0.790	20	30		DCEDRM
C#CCN1CCC[C@H](NS(=O)(=O)c2occc2C(=O)[O-])C1	ZINC001588477753	983517469	/nfs/dbraw/zinc/51/74/69/983517469.db2.gz	ZSRXDIUOPJGXPG-JTQLQIEISA-N	-1	0	312.347	0.354	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)N(C)Cc1ccc(OCC(=O)[O-])cc1	ZINC001588479439	983519568	/nfs/dbraw/zinc/51/95/68/983519568.db2.gz	OGGXHLBFCYDUBK-GFCCVEGCSA-N	-1	0	304.346	0.720	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NCCCN(C)c1ncc(C(=O)[O-])cn1	ZINC001588489932	983530087	/nfs/dbraw/zinc/53/00/87/983530087.db2.gz	DWMNVBFTQQHHNO-LLVKDONJSA-N	-1	0	320.349	0.156	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC001588505184	983549883	/nfs/dbraw/zinc/54/98/83/983549883.db2.gz	XTLFDUJWHONOCR-NSHDSACASA-N	-1	0	318.329	0.864	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001588506343	983551615	/nfs/dbraw/zinc/55/16/15/983551615.db2.gz	QHOXVGQBKLZPEJ-NHYWBVRUSA-N	-1	0	324.402	0.182	20	30		DCEDRM
C#Cc1ccc(Cn2nnnc2N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1	ZINC001588517062	983563254	/nfs/dbraw/zinc/56/32/54/983563254.db2.gz	JGBNZBYMIZTAHR-BXUZGUMPSA-N	-1	0	311.345	0.860	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588534131	983585580	/nfs/dbraw/zinc/58/55/80/983585580.db2.gz	FGOPLSXCDUQUOX-UMSGYPCISA-N	-1	0	312.366	0.757	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588536515	983594388	/nfs/dbraw/zinc/59/43/88/983594388.db2.gz	YBVHTNPOFMKVAV-MROQNXINSA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=C(C)CNC(=S)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001588569503	983649452	/nfs/dbraw/zinc/64/94/52/983649452.db2.gz	CMJKQESSHPEAPA-CQSZACIVSA-N	-1	0	313.423	0.298	20	30		DCEDRM
C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588578313	983657649	/nfs/dbraw/zinc/65/76/49/983657649.db2.gz	CIDQXRFUGPLFQQ-LLVKDONJSA-N	-1	0	318.337	0.534	20	30		DCEDRM
C=C(C)Cn1c(CCOC)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC001588597929	983681000	/nfs/dbraw/zinc/68/10/00/983681000.db2.gz	NQWDPRYMTGFIFO-VXGBXAGGSA-N	-1	0	324.381	0.721	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](CS(C)(=O)=O)C1	ZINC001588613923	983705395	/nfs/dbraw/zinc/70/53/95/983705395.db2.gz	HERNPBGSVKRJLA-LLVKDONJSA-N	-1	0	303.380	0.691	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1	ZINC001588615307	983711403	/nfs/dbraw/zinc/71/14/03/983711403.db2.gz	PVESNWWRINKNMB-CYBMUJFWSA-N	-1	0	324.377	0.647	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@]1(c2cnn(C)c2)CCCO1	ZINC001588624257	983731069	/nfs/dbraw/zinc/73/10/69/983731069.db2.gz	BYXLGTPLIRVBSA-HNNXBMFYSA-N	-1	0	307.350	0.963	20	30		DCEDRM
C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588643221	983765412	/nfs/dbraw/zinc/76/54/12/983765412.db2.gz	AQULOOHFKUZIMV-RYUDHWBXSA-N	-1	0	324.377	0.001	20	30		DCEDRM
C=C1CCC(Cn2nnnc2N2CCO[C@H](C(=O)[O-])C2)CC1	ZINC001588649741	983770264	/nfs/dbraw/zinc/77/02/64/983770264.db2.gz	ABAKUTWYCUMXLF-LBPRGKRZSA-N	-1	0	307.354	0.709	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccncc1C#N	ZINC001596333844	983774308	/nfs/dbraw/zinc/77/43/08/983774308.db2.gz	WOWZCODVUPIOJZ-RYUDHWBXSA-N	-1	0	302.334	0.616	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1	ZINC001588669405	983811699	/nfs/dbraw/zinc/81/16/99/983811699.db2.gz	KOJDNAAPOCFNIJ-UONOGXRCSA-N	-1	0	309.410	0.644	20	30		DCEDRM
C=C[C@H](C(=O)OC)n1cc(CN2CCCC[C@@H]2C(=O)[O-])nn1	ZINC001588671667	983821239	/nfs/dbraw/zinc/82/12/39/983821239.db2.gz	FHRFGLOCDJEESY-VXGBXAGGSA-N	-1	0	308.338	0.617	20	30		DCEDRM
C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588672313	983824882	/nfs/dbraw/zinc/82/48/82/983824882.db2.gz	REVWVXRIKDYGGE-JCIQBVFBSA-N	-1	0	306.362	0.492	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C2	ZINC001588672477	983825610	/nfs/dbraw/zinc/82/56/10/983825610.db2.gz	SQVQVFNESUMIBQ-RYUDHWBXSA-N	-1	0	320.389	0.980	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@@H](CC)Nc1ncc(C(=O)[O-])cn1	ZINC001588683907	983853065	/nfs/dbraw/zinc/85/30/65/983853065.db2.gz	GZWWJXWBHIQLJA-IAQYHMDHSA-N	-1	0	322.365	0.809	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC001588744258	984041994	/nfs/dbraw/zinc/04/19/94/984041994.db2.gz	JBWOKRCDQBRVFX-GFCCVEGCSA-N	-1	0	308.334	1.000	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC001588744564	984043661	/nfs/dbraw/zinc/04/36/61/984043661.db2.gz	OVTSSJPMNKVJJT-NSHDSACASA-N	-1	0	306.318	0.685	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1	ZINC001588772239	984141883	/nfs/dbraw/zinc/14/18/83/984141883.db2.gz	AZUOOVCPRVXESB-SECBINFHSA-N	-1	0	306.322	0.481	20	30		DCEDRM
C=CCCCC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588782170	984170293	/nfs/dbraw/zinc/17/02/93/984170293.db2.gz	RNGSQFNVVBIBSY-NEPJUHHUSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-]	ZINC001588797765	984230950	/nfs/dbraw/zinc/23/09/50/984230950.db2.gz	LQVBITOWLUEXHM-SNVBAGLBSA-N	-1	0	321.395	0.915	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC001588798076	984233419	/nfs/dbraw/zinc/23/34/19/984233419.db2.gz	SQVSWZAHBFLQRS-GHMZBOCLSA-N	-1	0	303.384	0.722	20	30		DCEDRM
C=CCCOCC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001588810401	984267100	/nfs/dbraw/zinc/26/71/00/984267100.db2.gz	NODAZVDOCVDPOI-LBPRGKRZSA-N	-1	0	320.349	0.780	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC001588822743	984290933	/nfs/dbraw/zinc/29/09/33/984290933.db2.gz	NEEARWYLDODGKR-LLVKDONJSA-N	-1	0	308.256	0.496	20	30		DCEDRM
C=CCN(CC=C)C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001588825170	984299102	/nfs/dbraw/zinc/29/91/02/984299102.db2.gz	DQAMQOCSQOCIRL-UHFFFAOYSA-N	-1	0	306.322	0.415	20	30		DCEDRM
C=CCN(Cc1cnc(C(=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1	ZINC001588831843	984317838	/nfs/dbraw/zinc/31/78/38/984317838.db2.gz	TXFMWRTVYBLPJB-NSHDSACASA-N	-1	0	311.363	0.350	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2ccoc2CC(=O)[O-])C1=O	ZINC001588838437	984338523	/nfs/dbraw/zinc/33/85/23/984338523.db2.gz	FCKYIDGUXODVPJ-LLVKDONJSA-N	-1	0	306.318	0.766	20	30		DCEDRM
C=CCN1CC[C@H](N(C)S(=O)(=O)C2(C(=O)[O-])CCC2)C1=O	ZINC001588839336	984345767	/nfs/dbraw/zinc/34/57/67/984345767.db2.gz	PVGLBQKCHLKXNP-JTQLQIEISA-N	-1	0	316.379	0.042	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C[C@H](C)CC(=O)[O-]	ZINC001588843818	984354321	/nfs/dbraw/zinc/35/43/21/984354321.db2.gz	HRUOMLPDXQJGKH-BDAKNGLRSA-N	-1	0	300.311	0.431	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN[C@@H](C(=O)[O-])c1cccc(O)c1	ZINC001588844428	984358108	/nfs/dbraw/zinc/35/81/08/984358108.db2.gz	YPYVTIPXXSHCAK-GFCCVEGCSA-N	-1	0	307.306	0.119	20	30		DCEDRM
C=CCNc1ncc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])s1	ZINC001588849530	984372085	/nfs/dbraw/zinc/37/20/85/984372085.db2.gz	XCIDDMOZMHOIBW-QMMMGPOBSA-N	-1	0	324.362	0.108	20	30		DCEDRM
C=CCOC[C@H](NC(=O)/C=C/COC1CCOCC1)C(=O)[O-]	ZINC001588853752	984385616	/nfs/dbraw/zinc/38/56/16/984385616.db2.gz	HHNAAQWDYOSLKV-OOPCZODUSA-N	-1	0	313.350	0.510	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)/C=C\c1ccc(C(N)=O)o1)C(=O)[O-]	ZINC001588854274	984389184	/nfs/dbraw/zinc/38/91/84/984389184.db2.gz	UCFAXTVJTUNNLU-AYYIZTPMSA-N	-1	0	308.290	0.164	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCN1CC(F)(F)F)C(=O)[O-]	ZINC001588856459	984400379	/nfs/dbraw/zinc/40/03/79/984400379.db2.gz	ZPYWAVFXTGKABP-ZJUUUORDSA-N	-1	0	324.299	0.785	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c[nH]cc1-c1cnn(C)c1)C(=O)[O-]	ZINC001588859245	984404401	/nfs/dbraw/zinc/40/44/01/984404401.db2.gz	FKJPAWQLCBSFJC-CYBMUJFWSA-N	-1	0	318.333	0.801	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccnc(NC)c1[N+](=O)[O-])C(=O)[O-]	ZINC001588860431	984413246	/nfs/dbraw/zinc/41/32/46/984413246.db2.gz	UTIUDRQYFWCBFZ-SECBINFHSA-N	-1	0	324.293	0.417	20	30		DCEDRM
C=CCOCc1nnc(N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)n1C	ZINC001588868834	984435958	/nfs/dbraw/zinc/43/59/58/984435958.db2.gz	XTYQFOIKWXLSLN-CQSZACIVSA-N	-1	0	321.337	0.328	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	ZINC001588879165	984456755	/nfs/dbraw/zinc/45/67/55/984456755.db2.gz	UGTVSPAQGIYWGO-UHFFFAOYSA-N	-1	0	315.391	0.739	20	30		DCEDRM
C=CCn1c([C@@H]2COCCN2C)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588896620	984503229	/nfs/dbraw/zinc/50/32/29/984503229.db2.gz	COFYHHAHPRYIOC-RYUDHWBXSA-N	-1	0	321.381	0.378	20	30		DCEDRM
C=CCn1c(CC)nnc1N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588897338	984509353	/nfs/dbraw/zinc/50/93/53/984509353.db2.gz	KDIHPVKREYEJGJ-AWEZNQCLSA-N	-1	0	305.338	0.836	20	30		DCEDRM
C=CCn1c(CCOCC)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588900421	984521135	/nfs/dbraw/zinc/52/11/35/984521135.db2.gz	GSDPHSCJIGBRAD-OAHLLOKOSA-N	-1	0	324.381	0.723	20	30		DCEDRM
C=CCn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1C(C)(C)C#N	ZINC001588904775	984532221	/nfs/dbraw/zinc/53/22/21/984532221.db2.gz	BTTFJIKPGMERDI-JTQLQIEISA-N	-1	0	305.338	0.555	20	30		DCEDRM
C=CCn1c(N2CCO[C@H](CC(=O)[O-])C2)nnc1C1(OC)CC1	ZINC001588904881	984533782	/nfs/dbraw/zinc/53/37/82/984533782.db2.gz	HFKRAWDPJHRRAG-LLVKDONJSA-N	-1	0	322.365	0.780	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588913452	984555161	/nfs/dbraw/zinc/55/51/61/984555161.db2.gz	CTLRUGWQUSQQFD-KOLCDFICSA-N	-1	0	319.317	0.568	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1	ZINC001588914236	984557337	/nfs/dbraw/zinc/55/73/37/984557337.db2.gz	RFWJBXWMNIGISR-MFKMUULPSA-N	-1	0	320.349	0.950	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC001588924719	984582806	/nfs/dbraw/zinc/58/28/06/984582806.db2.gz	CARZEIOEQTYFFN-SECBINFHSA-N	-1	0	315.322	0.577	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588930807	984599285	/nfs/dbraw/zinc/59/92/85/984599285.db2.gz	AMZMYLWXMHBFKQ-UHFFFAOYSA-N	-1	0	306.322	0.123	20	30		DCEDRM
CC#CCN1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)C1	ZINC001588931068	984601312	/nfs/dbraw/zinc/60/13/12/984601312.db2.gz	KGYZEBDYEXMXNX-ZIAGYGMSSA-N	-1	0	320.389	0.424	20	30		DCEDRM
CCOC(=O)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001596625254	984604935	/nfs/dbraw/zinc/60/49/35/984604935.db2.gz	XZYZXJQUJQMWFF-UHFFFAOYSA-N	-1	0	312.303	0.098	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)c1cc(C(=O)[O-])no1)C1CC1	ZINC001589323379	986145534	/nfs/dbraw/zinc/14/55/34/986145534.db2.gz	BXWAPLFKXIMTSW-CYBMUJFWSA-N	-1	0	307.262	0.338	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)c1ccnc(C(=O)[O-])n1	ZINC001589328581	986157656	/nfs/dbraw/zinc/15/76/56/986157656.db2.gz	CTPMVEIPZCNTHB-MNOVXSKESA-N	-1	0	317.349	0.762	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC001589328601	986157943	/nfs/dbraw/zinc/15/79/43/986157943.db2.gz	DIYIPJSYZBNYHO-NSHDSACASA-N	-1	0	317.345	0.961	20	30		DCEDRM
C[C@H](C#N)C(=O)NCCN(c1ncc(C(=O)[O-])cn1)C1CC1	ZINC001589329604	986164453	/nfs/dbraw/zinc/16/44/53/986164453.db2.gz	QRGJAJVDDBADLG-SECBINFHSA-N	-1	0	303.322	0.419	20	30		DCEDRM
CC(C)[C@H](CNC(=O)[C@H](C)C#N)Nc1ccnc(C(=O)[O-])n1	ZINC001589330055	986169012	/nfs/dbraw/zinc/16/90/12/986169012.db2.gz	XDHQSLGSINLVLQ-ZJUUUORDSA-N	-1	0	305.338	0.309	20	30		DCEDRM
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001589330085	986169168	/nfs/dbraw/zinc/16/91/68/986169168.db2.gz	YCVRHFWEVDAKRB-OPRDCNLKSA-N	-1	0	303.322	0.015	20	30		DCEDRM
C[C@H]([C@@H](C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1)S(C)(=O)=O	ZINC001589345688	986280505	/nfs/dbraw/zinc/28/05/05/986280505.db2.gz	FQFLZJBLCPPYTE-NXEZZACHSA-N	-1	0	316.379	0.273	20	30		DCEDRM
C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001589439886	986780090	/nfs/dbraw/zinc/78/00/90/986780090.db2.gz	OIWRVRDEVOPGFO-MPKXVKKWSA-N	-1	0	317.345	0.653	20	30		DCEDRM
CC(C)(C(=O)NCC(=O)NCC(=O)[O-])c1ccc(C#N)cc1	ZINC001589568054	987335501	/nfs/dbraw/zinc/33/55/01/987335501.db2.gz	XCNQESAHDBATTK-UHFFFAOYSA-N	-1	0	303.318	0.153	20	30		DCEDRM
C[C@@H](O)[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C(=O)[O-]	ZINC001599844292	988906900	/nfs/dbraw/zinc/90/69/00/988906900.db2.gz	UTVGMVXQZQDKIS-PELKAZGASA-N	-1	0	308.309	0.925	20	30		DCEDRM
CC(C)(NS(=O)(=O)c1ccc(F)cc1C#N)[C@@H](O)C(=O)[O-]	ZINC001590879886	990796055	/nfs/dbraw/zinc/79/60/55/990796055.db2.gz	UOHDSZQUIBSFQL-JTQLQIEISA-N	-1	0	316.310	0.200	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-]	ZINC001598468749	991991712	/nfs/dbraw/zinc/99/17/12/991991712.db2.gz	JFENFGTXYAHEDN-JQWIXIFHSA-N	-1	0	303.384	0.700	20	30		DCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001598519935	992667260	/nfs/dbraw/zinc/66/72/60/992667260.db2.gz	RFXBCWFFVUTRNN-NSHDSACASA-N	-1	0	307.281	0.056	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@H](NCc1n[nH]c(=O)[n-]1)c1ccccc1	ZINC001400076515	994136829	/nfs/dbraw/zinc/13/68/29/994136829.db2.gz	BHMLGMGZMXPMED-PWSUYJOCSA-N	-1	0	314.349	0.617	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001395433818	994653860	/nfs/dbraw/zinc/65/38/60/994653860.db2.gz	SGINRXAYPFITOC-SZEHBUNVSA-N	-1	0	305.338	0.208	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)COc1cccc(C#N)c1	ZINC001598692344	995084805	/nfs/dbraw/zinc/08/48/05/995084805.db2.gz	FYCZUQIZDZTZTO-NSHDSACASA-N	-1	0	306.274	0.070	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC001598695099	995124241	/nfs/dbraw/zinc/12/42/41/995124241.db2.gz	QWZJYWXNCSZQGB-BXKDBHETSA-N	-1	0	320.301	0.458	20	30		DCEDRM
C[C@H](C#N)C(=O)NCc1ccc(CNCc2n[nH]c(=O)[n-]2)cc1	ZINC001401062166	995145233	/nfs/dbraw/zinc/14/52/33/995145233.db2.gz	DNPXFGNCCCFQNX-SNVBAGLBSA-N	-1	0	314.349	0.576	20	30		DCEDRM
C[C@](O)(CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C(=O)[O-]	ZINC001593399576	995155464	/nfs/dbraw/zinc/15/54/64/995155464.db2.gz	VBFJQBQVFPMTER-CJNGLKHVSA-N	-1	0	317.345	0.479	20	30		DCEDRM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(CC#N)n1	ZINC001464652863	1015933305	/nfs/dbraw/zinc/93/33/05/1015933305.db2.gz	FZDXGDAUZSVIQK-UHFFFAOYSA-N	-1	0	321.318	0.458	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)COCC(=O)[O-]	ZINC001593533218	995579353	/nfs/dbraw/zinc/57/93/53/995579353.db2.gz	AUHIFVKKUDUJAL-RNCFNFMXSA-N	-1	0	300.311	0.074	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(C#N)c[nH]1	ZINC001598746789	995603229	/nfs/dbraw/zinc/60/32/29/995603229.db2.gz	TXNZFOIEDKPEQH-MWLCHTKSSA-N	-1	0	305.290	0.365	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)n1C	ZINC001598751141	995655236	/nfs/dbraw/zinc/65/52/36/995655236.db2.gz	LVSWMYQLRICTIT-SKDRFNHKSA-N	-1	0	319.317	0.375	20	30		DCEDRM
C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001593606753	995786476	/nfs/dbraw/zinc/78/64/76/995786476.db2.gz	WJTPKMQQCLTEII-NWDGAFQWSA-N	-1	0	310.350	0.787	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(C#N)o1	ZINC001598773079	995902606	/nfs/dbraw/zinc/90/26/06/995902606.db2.gz	XWJWBTGROWSRDD-PSASIEDQSA-N	-1	0	306.274	0.630	20	30		DCEDRM
COC(=O)[C@H]1CN(c2nc3ccccn3c2C#N)C[C@H]1C(=O)[O-]	ZINC001598827379	996397476	/nfs/dbraw/zinc/39/74/76/996397476.db2.gz	MYWDWCJHNXYRBX-ZJUUUORDSA-N	-1	0	314.301	0.516	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C#N)c(C)n1	ZINC001599192026	997140299	/nfs/dbraw/zinc/14/02/99/997140299.db2.gz	FKAGBAPGVVCLQZ-OAHLLOKOSA-N	-1	0	303.318	0.968	20	30		DCEDRM
COCC[C@@](C)(C#N)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001599209430	997471442	/nfs/dbraw/zinc/47/14/42/997471442.db2.gz	UUSMAIFVPGAOOV-LBPRGKRZSA-N	-1	0	313.335	0.377	20	30		DCEDRM
COC[C@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C[C@@H](C)O1	ZINC001466970058	1016128084	/nfs/dbraw/zinc/12/80/84/1016128084.db2.gz	QKIXOEWKLBEZKD-ZYHUDNBSSA-N	-1	0	305.334	0.843	20	30		DCEDRM
COCC[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC001599213970	997551302	/nfs/dbraw/zinc/55/13/02/997551302.db2.gz	RYRCYHNYWDSXKB-LLVKDONJSA-N	-1	0	305.286	0.373	20	30		DCEDRM
CON=CC(=O)N[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O	ZINC001599319800	997560654	/nfs/dbraw/zinc/56/06/54/997560654.db2.gz	HCWHROVIMSQOAQ-NSHDSACASA-N	-1	0	305.290	0.387	20	30		DCEDRM
CO[C@H]1CCN(C(=O)CNc2ccc(C#N)cn2)[C@H](C(=O)[O-])C1	ZINC001599119027	997704817	/nfs/dbraw/zinc/70/48/17/997704817.db2.gz	JVZKVPDRUZZQBB-RYUDHWBXSA-N	-1	0	318.333	0.456	20	30		DCEDRM
COCCN(CC#N)C1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001599231912	997874973	/nfs/dbraw/zinc/87/49/73/997874973.db2.gz	YXVBCKZMJIYUOL-STQMWFEESA-N	-1	0	309.366	0.170	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F	ZINC001468109655	1016224311	/nfs/dbraw/zinc/22/43/11/1016224311.db2.gz	RLJJWQDIYARXEW-NSHDSACASA-N	-1	0	309.297	0.033	20	30		DCEDRM
COC(=O)c1cccc(COC(=O)COCC(=O)[O-])c1C#N	ZINC001598995112	998772761	/nfs/dbraw/zinc/77/27/61/998772761.db2.gz	YTWHYSZMRXSIJX-UHFFFAOYSA-N	-1	0	307.258	0.489	20	30		DCEDRM
COC(=O)c1cccc([C@@H](C(=O)[O-])N2CC[C@@](O)(CC#N)C2)c1	ZINC001598997176	998790530	/nfs/dbraw/zinc/79/05/30/998790530.db2.gz	RCLIHJIERRLEAI-BBRMVZONSA-N	-1	0	318.329	0.949	20	30		DCEDRM
C=CCCCC(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001511513655	1016327751	/nfs/dbraw/zinc/32/77/51/1016327751.db2.gz	LUTGRTSAQJPDCI-LLVKDONJSA-N	-1	0	324.381	0.329	20	30		DCEDRM
C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)C[C@H](C)O1	ZINC001594471144	999703636	/nfs/dbraw/zinc/70/36/36/999703636.db2.gz	SGNFYRLQPKKAGK-AOOOYVTPSA-N	-1	0	319.317	0.054	20	30		DCEDRM
COC[C@@H](NC(=O)c1cc(C)c(C#N)c(C)c1)c1nnn[n-]1	ZINC001471845141	1016667270	/nfs/dbraw/zinc/66/72/70/1016667270.db2.gz	FOSGOJUVVYTKOB-GFCCVEGCSA-N	-1	0	300.322	0.806	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc(C(C)(C)O)cc2)c(C#N)c1=O	ZINC001472764228	1016851342	/nfs/dbraw/zinc/85/13/42/1016851342.db2.gz	YNUIQMSFEDKTFI-UHFFFAOYSA-N	-1	0	314.345	0.785	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H](C)C#N)c1[O-]	ZINC001514345965	1016944907	/nfs/dbraw/zinc/94/49/07/1016944907.db2.gz	HOWPNFWUKRBUOT-JMJZKYOTSA-N	-1	0	319.365	0.741	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](NC(=O)[C@@H](C)C#N)C(C)C)c1[O-]	ZINC001416580755	1005714451	/nfs/dbraw/zinc/71/44/51/1005714451.db2.gz	QIKSTXTUKKNLSS-WPRPVWTQSA-N	-1	0	307.354	0.454	20	30		DCEDRM
CC(C)C[C@H]1COCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417645861	1005859139	/nfs/dbraw/zinc/85/91/39/1005859139.db2.gz	HPNVDBBWLFUSFA-LBPRGKRZSA-N	-1	0	320.349	0.094	20	30		DCEDRM
CCc1ncc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001417685045	1005868156	/nfs/dbraw/zinc/86/81/56/1005868156.db2.gz	GKEANJXSFKZEAI-UHFFFAOYSA-N	-1	0	314.305	0.202	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](C)[S@@](=O)CC1	ZINC001417712340	1005873900	/nfs/dbraw/zinc/87/39/00/1005873900.db2.gz	CQNQGUNTQZBSRV-UZJPJQLHSA-N	-1	0	307.375	0.950	20	30		DCEDRM
C[C@H](CCC1CC1)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417723679	1005876634	/nfs/dbraw/zinc/87/66/34/1005876634.db2.gz	VJFFLEPPGQPKFS-SNVBAGLBSA-N	-1	0	304.350	0.906	20	30		DCEDRM
CO[C@@H]1COCC[C@H]1CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417877604	1005912601	/nfs/dbraw/zinc/91/26/01/1005912601.db2.gz	JAIRIPHIIIGGMT-CMPLNLGQSA-N	-1	0	305.334	0.749	20	30		DCEDRM
CC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccn1	ZINC001417890044	1005916412	/nfs/dbraw/zinc/91/64/12/1005916412.db2.gz	YGZCPRLJFXQPIK-NSHDSACASA-N	-1	0	313.317	0.483	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN=S1(=O)CCCC1	ZINC001452606964	1006938563	/nfs/dbraw/zinc/93/85/63/1006938563.db2.gz	PSFPFGIBFGDCSB-UHFFFAOYSA-N	-1	0	322.390	0.959	20	30		DCEDRM
CSCC[C@H](NC(=O)[C@@]1(C#N)CCCOC1)c1nnn[n-]1	ZINC001453773252	1008711850	/nfs/dbraw/zinc/71/18/50/1008711850.db2.gz	OFLOWQKLJCSOCA-JOYOIKCWSA-N	-1	0	310.383	0.430	20	30		DCEDRM
CC(C)CC[C@](C)(O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001433730681	1009126891	/nfs/dbraw/zinc/12/68/91/1009126891.db2.gz	DNRLYBOCSCCKKJ-HNNXBMFYSA-N	-1	0	322.365	0.124	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2CCCC23CC3)c(=O)[n-]c1=O	ZINC001454566446	1009196293	/nfs/dbraw/zinc/19/62/93/1009196293.db2.gz	XCAQFZORDSVOCJ-LLVKDONJSA-N	-1	0	302.334	0.660	20	30		DCEDRM
N#CCC1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001433896605	1009320180	/nfs/dbraw/zinc/32/01/80/1009320180.db2.gz	JBWBSWZCDCDOHO-UHFFFAOYSA-N	-1	0	315.333	0.363	20	30		DCEDRM
CS(=O)(=O)C1CCC(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC001434126359	1009595157	/nfs/dbraw/zinc/59/51/57/1009595157.db2.gz	NYGGLDLQUQBTGN-UHFFFAOYSA-N	-1	0	321.362	0.695	20	30		DCEDRM
Cc1oc(C)c(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1C	ZINC001434207958	1009661720	/nfs/dbraw/zinc/66/17/20/1009661720.db2.gz	QCURAMRAITWHAY-UHFFFAOYSA-N	-1	0	316.317	0.769	20	30		DCEDRM
N#Cc1ccsc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434208851	1009664714	/nfs/dbraw/zinc/66/47/14/1009664714.db2.gz	XLZOGYYWZZEOKS-UHFFFAOYSA-N	-1	0	315.314	0.184	20	30		DCEDRM
CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCCOC1	ZINC001434318627	1009755972	/nfs/dbraw/zinc/75/59/72/1009755972.db2.gz	AVRICEBFSCTQPM-ZYHUDNBSSA-N	-1	0	320.349	0.142	20	30		DCEDRM
CC(C)(/C=C/Cl)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434369580	1009850104	/nfs/dbraw/zinc/85/01/04/1009850104.db2.gz	AQXGICBXXUTXAE-SNAWJCMRSA-N	-1	0	310.741	0.858	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN1CCO[C@H](C)C1	ZINC001442913964	1009928250	/nfs/dbraw/zinc/92/82/50/1009928250.db2.gz	GDBLYMYBEHTNBB-LLVKDONJSA-N	-1	0	304.350	0.418	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H]2COC3(CCCC3)O2)c(C#N)c1=O	ZINC001434442365	1009959097	/nfs/dbraw/zinc/95/90/97/1009959097.db2.gz	FXCBQLIPAFZOKL-VIFPVBQESA-N	-1	0	306.322	0.043	20	30		DCEDRM
C#Cc1ccccc1CC(=O)NC[C@H](C)NC(=O)c1cn[nH]n1	ZINC001534254742	1011561500	/nfs/dbraw/zinc/56/15/00/1011561500.db2.gz	MTRMXUCRBBVMED-NSHDSACASA-N	-1	0	311.345	0.263	20	30		DCEDRM
CO[C@@H]1CCC[C@H]1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001457196216	1011607392	/nfs/dbraw/zinc/60/73/92/1011607392.db2.gz	DARVXUNLQVAMLK-VXGBXAGGSA-N	-1	0	318.333	0.019	20	30		DCEDRM
CS(=O)(=O)c1cc(C([O-])=C(C#N)C(=O)NC2CC2)ccc1F	ZINC001515146443	1017103385	/nfs/dbraw/zinc/10/33/85/1017103385.db2.gz	RVAFDFPHYRRCBV-JTQLQIEISA-N	-1	0	324.333	0.830	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H]1CC[C@@H](Cn2cnc3c2ncnc3N)O1	ZINC001556633541	1012215562	/nfs/dbraw/zinc/21/55/62/1012215562.db2.gz	JWDLVFHXHJKGKX-VHSXEESVSA-N	-1	0	318.337	0.190	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2c[nH]c3ncccc23)c(=O)[n-]c1=O	ZINC001557601038	1012286712	/nfs/dbraw/zinc/28/67/12/1012286712.db2.gz	PMMAARWLKJCBQP-UHFFFAOYSA-N	-1	0	324.300	0.127	20	30		DCEDRM
CN(C)c1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001540692117	1012459857	/nfs/dbraw/zinc/45/98/57/1012459857.db2.gz	WXKTWTPFXNDTHV-UHFFFAOYSA-N	-1	0	313.317	0.525	20	30		DCEDRM
NC(=O)COc1cccc(NC(=O)N[C@@H]2CCCN(O)C2=O)c1	ZINC001475864243	1017164744	/nfs/dbraw/zinc/16/47/44/1017164744.db2.gz	WXVIOQQEMKXJEN-LLVKDONJSA-N	-1	0	322.321	0.052	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cnc[nH]c2=O)[C@@H]1C	ZINC001521054596	1017325773	/nfs/dbraw/zinc/32/57/73/1017325773.db2.gz	YNMMQAPPSJRVFZ-NGZCFLSTSA-N	-1	0	303.322	0.061	20	30		DCEDRM
CN(C)C(=O)CCC/N=C(/[O-])c1cnc2n(c1=O)CCS2	ZINC000330585236	238673977	/nfs/dbraw/zinc/67/39/77/238673977.db2.gz	WTVHFSHPSOLUMY-UHFFFAOYSA-N	-1	0	310.379	0.522	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)cc1	ZINC000566859207	291326595	/nfs/dbraw/zinc/32/65/95/291326595.db2.gz	NRPFFGMQVDDAEP-STQMWFEESA-N	-1	0	324.358	0.467	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000420588854	240048004	/nfs/dbraw/zinc/04/80/04/240048004.db2.gz	TUELOZWUIHAJQI-MEDUHNTESA-N	-1	0	321.377	0.756	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc2c(cn1)OCCO2)C(=O)[O-]	ZINC000425257626	240325847	/nfs/dbraw/zinc/32/58/47/240325847.db2.gz	QHJBRURLJOQUKN-SNVBAGLBSA-N	-1	0	308.290	0.238	20	30		DCEDRM
C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000567617460	291365158	/nfs/dbraw/zinc/36/51/58/291365158.db2.gz	KSNZOSNQOKYURO-MRVPVSSYSA-N	-1	0	300.311	0.837	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)OCC)C1	ZINC000494590029	241204739	/nfs/dbraw/zinc/20/47/39/241204739.db2.gz	MBNXOYIDKRITJA-SNVBAGLBSA-N	-1	0	304.368	0.487	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000275078297	212108928	/nfs/dbraw/zinc/10/89/28/212108928.db2.gz	YCVVIOKQKKHYJJ-CYBMUJFWSA-N	-1	0	306.343	0.844	20	30		DCEDRM
C#CCN(C1CC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000274119241	211371086	/nfs/dbraw/zinc/37/10/86/211371086.db2.gz	ZWEYYTCANFTMOF-UHFFFAOYSA-N	-1	0	320.330	0.222	20	30		DCEDRM
N#Cc1cc(Br)cc(S(=O)(=O)NCC(=O)[O-])c1	ZINC000049067113	183709584	/nfs/dbraw/zinc/70/95/84/183709584.db2.gz	WZGPXGJWVLVWCE-UHFFFAOYSA-N	-1	0	319.136	0.684	20	30		DCEDRM
CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000337257397	252843587	/nfs/dbraw/zinc/84/35/87/252843587.db2.gz	SYXAJUFTCBOVAW-UHFFFAOYSA-N	-1	0	320.334	0.145	20	30		DCEDRM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCC(=O)[O-]	ZINC000340428392	253253407	/nfs/dbraw/zinc/25/34/07/253253407.db2.gz	JMUMOXYSGDPCBL-UHFFFAOYSA-N	-1	0	313.291	0.610	20	30		DCEDRM
COCCOc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)ccn1	ZINC000347926583	254202406	/nfs/dbraw/zinc/20/24/06/254202406.db2.gz	BVFXZEBTWTVDTD-UHFFFAOYSA-N	-1	0	312.289	0.826	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)CC2(CC(=O)[O-])CCCC2)n1	ZINC000349013039	254269462	/nfs/dbraw/zinc/26/94/62/254269462.db2.gz	XQRAKDGUTYOBFX-UHFFFAOYSA-N	-1	0	305.338	0.691	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)c[nH]1	ZINC000351699974	254359416	/nfs/dbraw/zinc/35/94/16/254359416.db2.gz	OGWGDIKISWFFEM-UHFFFAOYSA-N	-1	0	309.307	0.505	20	30		DCEDRM
N#Cc1nc(NC(=O)CNC(=O)COc2ccccc2)[n-]c1C#N	ZINC000026269279	395694286	/nfs/dbraw/zinc/69/42/86/395694286.db2.gz	YSLBAGXLWLGXSH-UHFFFAOYSA-N	-1	0	324.300	0.287	20	30		DCEDRM
CCCC1N=NC(=S)N1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000026270503	395694321	/nfs/dbraw/zinc/69/43/21/395694321.db2.gz	MWBAUNMMEJWJMY-UHFFFAOYSA-N	-1	0	316.350	0.624	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000262145262	396104313	/nfs/dbraw/zinc/10/43/13/396104313.db2.gz	IZZKPUIUQVZFDB-NSHDSACASA-N	-1	0	304.302	0.879	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)NC[C@H](OC)C(=O)[O-]	ZINC000263062583	396199719	/nfs/dbraw/zinc/19/97/19/396199719.db2.gz	HYIIPABPCHJJGE-LBPRGKRZSA-N	-1	0	308.290	0.161	20	30		DCEDRM
CN(CC(=O)Nc1nc(C#N)c(C#N)[n-]1)C(=O)OC(C)(C)C	ZINC000264041481	396251566	/nfs/dbraw/zinc/25/15/66/396251566.db2.gz	JYGXJKAIFWKYLH-UHFFFAOYSA-N	-1	0	304.310	0.958	20	30		DCEDRM
N#Cc1ccccc1N1CCCN(C(=O)c2n[nH]c(=O)[n-]2)CC1	ZINC000080351521	396278643	/nfs/dbraw/zinc/27/86/43/396278643.db2.gz	VMPPMCHAZMYZIW-UHFFFAOYSA-N	-1	0	312.333	0.734	20	30		DCEDRM
N#Cc1cccc(N2CCN(C(=O)NCCC(=O)[O-])CC2)n1	ZINC000263366791	396214807	/nfs/dbraw/zinc/21/48/07/396214807.db2.gz	LQZBQUVVVMMCND-UHFFFAOYSA-N	-1	0	303.322	0.260	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000594528521	396483720	/nfs/dbraw/zinc/48/37/20/396483720.db2.gz	BUJRGRQBHJZDRP-QMMMGPOBSA-N	-1	0	323.736	0.665	20	30		DCEDRM
C[C@@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)C(=O)[O-]	ZINC000594529651	396484721	/nfs/dbraw/zinc/48/47/21/396484721.db2.gz	SYUBDJBIBXXVED-NSHDSACASA-N	-1	0	317.349	0.506	20	30		DCEDRM
Cc1cc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])ccc1C#N	ZINC000594573998	396488092	/nfs/dbraw/zinc/48/80/92/396488092.db2.gz	UKTYUNWPSYRTNE-NSHDSACASA-N	-1	0	300.311	0.958	20	30		DCEDRM
CNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000292036017	396526193	/nfs/dbraw/zinc/52/61/93/396526193.db2.gz	YXSFDHOLVRQAAM-LURJTMIESA-N	-1	0	303.290	0.249	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1	ZINC000595275807	396576596	/nfs/dbraw/zinc/57/65/96/396576596.db2.gz	JGFKSPBUAOXIRG-QWHCGFSZSA-N	-1	0	321.377	0.898	20	30		DCEDRM
N#CCCCCNC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000595276269	396577300	/nfs/dbraw/zinc/57/73/00/396577300.db2.gz	WPNZDEAOVDZOLR-UHFFFAOYSA-N	-1	0	309.366	0.900	20	30		DCEDRM
Cc1nsc(N2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)c1C#N	ZINC000589651980	396720423	/nfs/dbraw/zinc/72/04/23/396720423.db2.gz	BDGVNZJYORIOLP-UHFFFAOYSA-N	-1	0	319.350	0.109	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])o1	ZINC000590601627	396811333	/nfs/dbraw/zinc/81/13/33/396811333.db2.gz	MIALBOWGNLMVPV-NSHDSACASA-N	-1	0	321.314	0.520	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC[C@H]1C(=O)[O-]	ZINC000600797626	396943762	/nfs/dbraw/zinc/94/37/62/396943762.db2.gz	NMHIWIQDZHSILZ-GPCCPHFNSA-N	-1	0	311.313	0.020	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)[O-]	ZINC000630317222	396983441	/nfs/dbraw/zinc/98/34/41/396983441.db2.gz	MUZUHLMWZOJVBH-LLVKDONJSA-N	-1	0	317.345	0.876	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(=O)[O-]	ZINC000630325124	396984557	/nfs/dbraw/zinc/98/45/57/396984557.db2.gz	IBYONAQEUWMRHU-NSHDSACASA-N	-1	0	318.333	0.409	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)[O-]	ZINC000630324591	396984761	/nfs/dbraw/zinc/98/47/61/396984761.db2.gz	FZJUXQIMWADZHT-MRVPVSSYSA-N	-1	0	301.320	0.832	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C(=O)OC	ZINC000597604834	397029047	/nfs/dbraw/zinc/02/90/47/397029047.db2.gz	LBOODFPDUYFUIC-SECBINFHSA-N	-1	0	321.289	0.402	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1C#N	ZINC000597609132	397031279	/nfs/dbraw/zinc/03/12/79/397031279.db2.gz	GJOFCPUPDONSQJ-VIFPVBQESA-N	-1	0	317.305	0.892	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)[N-]c1cnn(CCO)c1	ZINC000619462264	397135100	/nfs/dbraw/zinc/13/51/00/397135100.db2.gz	WGTJNBFCIZATMB-UHFFFAOYSA-N	-1	0	306.347	0.742	20	30		DCEDRM
CC1(C(=O)[O-])CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1	ZINC000592440416	397179355	/nfs/dbraw/zinc/17/93/55/397179355.db2.gz	MOHWJDCICRMJKZ-UHFFFAOYSA-N	-1	0	307.350	0.510	20	30		DCEDRM
COc1ccc(OCCCn2c(=O)[n-]cc(C#N)c2=O)cc1	ZINC000573487292	397172727	/nfs/dbraw/zinc/17/27/27/397172727.db2.gz	BQRGMSXOGYWECH-UHFFFAOYSA-N	-1	0	301.302	0.886	20	30		DCEDRM
CC(C)(C)[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602136946	397316036	/nfs/dbraw/zinc/31/60/36/397316036.db2.gz	VIASEQAGGZVZQT-NSHDSACASA-N	-1	0	304.350	0.715	20	30		DCEDRM
C[C@@H]1Cc2ccccc2N1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602042038	397288981	/nfs/dbraw/zinc/28/89/81/397288981.db2.gz	BEXYDMHGSIWASQ-SNVBAGLBSA-N	-1	0	310.313	0.798	20	30		DCEDRM
CCSCC[C@@H](C)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602106856	397302267	/nfs/dbraw/zinc/30/22/67/397302267.db2.gz	LQARVDGZBMYARP-SNVBAGLBSA-N	-1	0	324.406	0.811	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CC(C(F)(F)F)C2)c(=O)[n-]c1=O	ZINC000602108888	397303561	/nfs/dbraw/zinc/30/35/61/397303561.db2.gz	VFPXYEXJXFDILI-UHFFFAOYSA-N	-1	0	316.239	0.231	20	30		DCEDRM
CC1(C)CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602109014	397303788	/nfs/dbraw/zinc/30/37/88/397303788.db2.gz	MHRLEWMJVWBPAE-UHFFFAOYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
CC[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC000602110731	397305194	/nfs/dbraw/zinc/30/51/94/397305194.db2.gz	ZYDNXTXMTRYUKF-JTQLQIEISA-N	-1	0	308.363	0.175	20	30		DCEDRM
C[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC000602148100	397322632	/nfs/dbraw/zinc/32/26/32/397322632.db2.gz	UMDGLVZBFAZZAR-JTQLQIEISA-N	-1	0	322.390	0.565	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@H](C3CCC3)C2)c(=O)[n-]c1=O	ZINC000602160627	397327201	/nfs/dbraw/zinc/32/72/01/397327201.db2.gz	FLRGQRJNCQMFOM-NSHDSACASA-N	-1	0	302.334	0.469	20	30		DCEDRM
C[C@@H]1CC(C)(C)CN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602159525	397327696	/nfs/dbraw/zinc/32/76/96/397327696.db2.gz	BYDFXRFJLILNNU-SNVBAGLBSA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c(F)c1	ZINC000614384168	397428877	/nfs/dbraw/zinc/42/88/77/397428877.db2.gz	JDMJBSWMAXQWPQ-JTQLQIEISA-N	-1	0	314.294	0.171	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnn2c1C[C@H](C)CC2)C(=O)[O-]	ZINC000578896236	397501034	/nfs/dbraw/zinc/50/10/34/397501034.db2.gz	WVBPOOQWZYWPTG-ZYHUDNBSSA-N	-1	0	307.350	0.851	20	30		DCEDRM
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000579520402	397577354	/nfs/dbraw/zinc/57/73/54/397577354.db2.gz	FEABLBUXQBLHDY-WDEREUQCSA-N	-1	0	318.381	0.641	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)c(F)c1	ZINC000610057563	397801187	/nfs/dbraw/zinc/80/11/87/397801187.db2.gz	KMZXQUFZSGCUBZ-UHFFFAOYSA-N	-1	0	310.310	0.687	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000262737058	158837407	/nfs/dbraw/zinc/83/74/07/158837407.db2.gz	IUSHHMVBDFJFKR-HNNXBMFYSA-N	-1	0	322.292	0.971	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cn1	ZINC000275765621	158921655	/nfs/dbraw/zinc/92/16/55/158921655.db2.gz	SIFPCQNSDCQFBM-BIMULSAOSA-N	-1	0	321.358	0.827	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000408480541	160117880	/nfs/dbraw/zinc/11/78/80/160117880.db2.gz	DCGSVPMMXSSZRS-LLVKDONJSA-N	-1	0	311.363	0.824	20	30		DCEDRM
CC(C)CCO[C@@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001647629496	1173005661	/nfs/dbraw/zinc/00/56/61/1173005661.db2.gz	KBJXUATYZOWPHT-LLVKDONJSA-N	-1	0	306.366	0.587	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)CC(=O)[O-]	ZINC000232108329	287064530	/nfs/dbraw/zinc/06/45/30/287064530.db2.gz	BJMNLGDHRPVOAC-GFCCVEGCSA-N	-1	0	312.347	0.467	20	30		DCEDRM
COCCNC(=O)[C@H](C#N)c1nc(=O)c2c(C)c(C)sc2[nH]1	ZINC000122065540	415821027	/nfs/dbraw/zinc/82/10/27/415821027.db2.gz	DXVUYAJLUNCPBT-SECBINFHSA-N	-1	0	320.374	0.971	20	30		DCEDRM
CCOC[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000290714937	415821950	/nfs/dbraw/zinc/82/19/50/415821950.db2.gz	UKCWNNSHIRVPKQ-JTQLQIEISA-N	-1	0	316.310	0.465	20	30		DCEDRM
C=C[C@@H](CO)[N-]S(=O)(=O)[C@H](CC(=O)OCC)C(F)(F)F	ZINC000296942850	415943849	/nfs/dbraw/zinc/94/38/49/415943849.db2.gz	GTNTUFCXZBQEFS-JGVFFNPUSA-N	-1	0	319.301	0.337	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000420538460	416418905	/nfs/dbraw/zinc/41/89/05/416418905.db2.gz	IWNVUOKAUPIPLQ-ZDUSSCGKSA-N	-1	0	300.380	0.345	20	30		DCEDRM
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCC(=O)[O-]	ZINC000420601421	416419179	/nfs/dbraw/zinc/41/91/79/416419179.db2.gz	QACNOYYCHAONOV-UHFFFAOYSA-N	-1	0	315.329	0.664	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000422558283	416439750	/nfs/dbraw/zinc/43/97/50/416439750.db2.gz	YQGJKTVCUTVKEI-MWLCHTKSSA-N	-1	0	324.358	0.908	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000422653595	416444624	/nfs/dbraw/zinc/44/46/24/416444624.db2.gz	KJUGIJKUKJWKBV-NSHDSACASA-N	-1	0	301.302	0.738	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1C#N	ZINC000422659011	416445527	/nfs/dbraw/zinc/44/55/27/416445527.db2.gz	FRZMIXKUBYGKCV-GFCCVEGCSA-N	-1	0	301.302	0.881	20	30		DCEDRM
C=CCCC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424456842	416648662	/nfs/dbraw/zinc/64/86/62/416648662.db2.gz	XMYIWWQHZIOCRD-QWRGUYRKSA-N	-1	0	318.395	0.624	20	30		DCEDRM
COC[C@@H](C)n1ccc(=NC(=O)N=c2[n-]n(C)cc2C#N)[nH]1	ZINC000615025502	416742753	/nfs/dbraw/zinc/74/27/53/416742753.db2.gz	ZNAVCHGDCKQOIB-SECBINFHSA-N	-1	0	303.326	0.183	20	30		DCEDRM
C[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)[C@H]1C	ZINC000516650723	416733570	/nfs/dbraw/zinc/73/35/70/416733570.db2.gz	SNYFWYUYJKWYQN-JFGNBEQYSA-N	-1	0	304.350	0.349	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)n1	ZINC000443406947	416756560	/nfs/dbraw/zinc/75/65/60/416756560.db2.gz	GNYVBZGYDXZKSN-UHFFFAOYSA-N	-1	0	319.302	0.939	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)CCC1CCOCC1)C(=O)[O-]	ZINC000562390877	416865016	/nfs/dbraw/zinc/86/50/16/416865016.db2.gz	LXIGFBSBFCMGOV-GFCCVEGCSA-N	-1	0	303.380	0.589	20	30		DCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCC(=O)[O-]	ZINC000565303905	416962560	/nfs/dbraw/zinc/96/25/60/416962560.db2.gz	WPTZWJNAKZSUAE-UHFFFAOYSA-N	-1	0	303.318	0.498	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000615826020	416917290	/nfs/dbraw/zinc/91/72/90/416917290.db2.gz	QHQOLOUUWKUWHY-ZDUSSCGKSA-N	-1	0	303.253	0.514	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)C1CC1	ZINC000565837025	417024554	/nfs/dbraw/zinc/02/45/54/417024554.db2.gz	JTKJTDAGSBRFCS-JFGNBEQYSA-N	-1	0	317.411	0.802	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000567100841	417056830	/nfs/dbraw/zinc/05/68/30/417056830.db2.gz	OWYZGQOPBLWPNR-NSHDSACASA-N	-1	0	314.407	0.735	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-]	ZINC000575292847	417523800	/nfs/dbraw/zinc/52/38/00/417523800.db2.gz	ASTFXJBQBDOVTF-JTQLQIEISA-N	-1	0	316.335	0.024	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-]	ZINC000646046939	417861977	/nfs/dbraw/zinc/86/19/77/417861977.db2.gz	LVAJBMTYYJRRBA-LLVKDONJSA-N	-1	0	303.311	0.760	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cnn(C(C)C)c1)C(=O)[O-]	ZINC000646046986	417862703	/nfs/dbraw/zinc/86/27/03/417862703.db2.gz	ZLQCCKNNNUWXDQ-LLVKDONJSA-N	-1	0	317.367	0.398	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)C(=O)[O-]	ZINC000646046758	417862877	/nfs/dbraw/zinc/86/28/77/417862877.db2.gz	WYNHIUOGQGCJQQ-QWRGUYRKSA-N	-1	0	307.368	0.131	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H]1CCOC1(C)C)C(=O)[O-]	ZINC000663269411	418005601	/nfs/dbraw/zinc/00/56/01/418005601.db2.gz	NJRKQWHTRIETPN-GHMZBOCLSA-N	-1	0	300.355	0.757	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc(F)cc1OC)C(=O)[O-]	ZINC000663286662	418006491	/nfs/dbraw/zinc/00/64/91/418006491.db2.gz	SHBPMGCOOHKXQI-SNVBAGLBSA-N	-1	0	315.322	0.979	20	30		DCEDRM
C=CCNC(=O)CN1CCN(c2ccc(C(=O)[O-])cn2)CC1	ZINC000647448728	418010495	/nfs/dbraw/zinc/01/04/95/418010495.db2.gz	ZLHJCUFPPUEGRS-UHFFFAOYSA-N	-1	0	304.350	0.204	20	30		DCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000647583707	418028064	/nfs/dbraw/zinc/02/80/64/418028064.db2.gz	ADFIABSWGKAIAS-LLVKDONJSA-N	-1	0	312.366	0.455	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000659059164	418050651	/nfs/dbraw/zinc/05/06/51/418050651.db2.gz	RSVRGHQACNBDJP-SECBINFHSA-N	-1	0	307.306	0.019	20	30		DCEDRM
C=CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])[C@@H](C)COC	ZINC000659661286	418138812	/nfs/dbraw/zinc/13/88/12/418138812.db2.gz	ZODSFFOVGYLBGX-NSHDSACASA-N	-1	0	314.382	0.653	20	30		DCEDRM
C=CCN(C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)[C@@H](C)COC	ZINC000659661916	418139638	/nfs/dbraw/zinc/13/96/38/418139638.db2.gz	ZTBKXAULNDWXME-SDDRHHMPSA-N	-1	0	312.366	0.405	20	30		DCEDRM
CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cc1	ZINC000194798593	261148216	/nfs/dbraw/zinc/14/82/16/261148216.db2.gz	QNJIFZMGAGVFJI-UHFFFAOYSA-N	-1	0	319.346	0.784	20	30		DCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000417423687	262251639	/nfs/dbraw/zinc/25/16/39/262251639.db2.gz	RTLFDYZQCXRQFZ-MRVPVSSYSA-N	-1	0	300.311	0.980	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC000417430886	262251845	/nfs/dbraw/zinc/25/18/45/262251845.db2.gz	QHXIPGGHIUCNPF-JTQLQIEISA-N	-1	0	312.322	0.934	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CS(=O)(=O)c2ncc[n-]2)cc1	ZINC000361274733	268069371	/nfs/dbraw/zinc/06/93/71/268069371.db2.gz	AACBTXZPJVCIQY-UHFFFAOYSA-N	-1	0	304.331	0.371	20	30		DCEDRM
N#Cc1cc2c(nc1N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)CCC2	ZINC000424474446	268193877	/nfs/dbraw/zinc/19/38/77/268193877.db2.gz	RRFODYBKLJROGU-LBPRGKRZSA-N	-1	0	321.358	0.130	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)s1	ZINC000435476862	268260961	/nfs/dbraw/zinc/26/09/61/268260961.db2.gz	KDYZWPBDYWIFPV-UHFFFAOYSA-N	-1	0	311.348	0.102	20	30		DCEDRM
N#Cc1cn(C2CN(c3cc4c(nn3)CCC4)C2)c(=O)[n-]c1=O	ZINC000528113116	268307914	/nfs/dbraw/zinc/30/79/14/268307914.db2.gz	IUXRKLMHFAUYFF-UHFFFAOYSA-N	-1	0	310.317	0.161	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)C2(C#N)CCCC2)C1=O	ZINC000353132185	280188044	/nfs/dbraw/zinc/18/80/44/280188044.db2.gz	XFLOCPACXDAKAC-NWDGAFQWSA-N	-1	0	321.377	0.897	20	30		DCEDRM
Cc1oc(C)c(S(=O)(=O)N2CCOC[C@@H]2C#N)c1C(=O)[O-]	ZINC000273751954	302871105	/nfs/dbraw/zinc/87/11/05/302871105.db2.gz	PUTTZNVBKCFRKC-VIFPVBQESA-N	-1	0	314.319	0.508	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000274919306	303184186	/nfs/dbraw/zinc/18/41/86/303184186.db2.gz	AUSPKMWCQVQEMO-VIFPVBQESA-N	-1	0	316.335	0.846	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000370141855	303184444	/nfs/dbraw/zinc/18/44/44/303184444.db2.gz	JBPCTHLKWPXLHL-GFCCVEGCSA-N	-1	0	314.294	0.219	20	30		DCEDRM
C=CCN(C(=O)C[C@H](C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000570696915	332802746	/nfs/dbraw/zinc/80/27/46/332802746.db2.gz	XLVVMDJZCXIKBK-WDEREUQCSA-N	-1	0	303.380	0.689	20	30		DCEDRM
C=CCCCS(=O)(=O)NCCCCn1cc(C(=O)[O-])nn1	ZINC000584278836	332204344	/nfs/dbraw/zinc/20/43/44/332204344.db2.gz	AZFGJBAFTLUAOP-UHFFFAOYSA-N	-1	0	316.383	0.642	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C	ZINC000577735306	332305594	/nfs/dbraw/zinc/30/55/94/332305594.db2.gz	ABPRNDVXGKINRL-NXEZZACHSA-N	-1	0	305.400	0.802	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C	ZINC000577735308	332305636	/nfs/dbraw/zinc/30/56/36/332305636.db2.gz	ABPRNDVXGKINRL-VHSXEESVSA-N	-1	0	305.400	0.802	20	30		DCEDRM
CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1	ZINC000565308160	333250856	/nfs/dbraw/zinc/25/08/56/333250856.db2.gz	RQAPROYPCKSHJU-PWSUYJOCSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N=c1nc(CCC)[n-]s1	ZINC000425794131	333686844	/nfs/dbraw/zinc/68/68/44/333686844.db2.gz	AFIWYGITLQVBRG-UWVGGRQHSA-N	-1	0	324.406	0.558	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C(=O)[O-])C1CCC1	ZINC000519826260	335898446	/nfs/dbraw/zinc/89/84/46/335898446.db2.gz	XNEQAJZSRKCCSS-KOLCDFICSA-N	-1	0	303.384	0.556	20	30		DCEDRM
CSc1nc(=NC(=O)N2C[C@H]3OCCN(C)[C@H]3C2)s[n-]1	ZINC000330013491	336105739	/nfs/dbraw/zinc/10/57/39/336105739.db2.gz	MFXJLJMCZSVDOK-JGVFFNPUSA-N	-1	0	315.424	0.820	20	30		DCEDRM
CC#CCN(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000436781448	338287181	/nfs/dbraw/zinc/28/71/81/338287181.db2.gz	CXKCEALZVGAKKA-UHFFFAOYSA-N	-1	0	310.375	0.738	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000491504769	339864583	/nfs/dbraw/zinc/86/45/83/339864583.db2.gz	IYAGOMXFPZCAAU-GFCCVEGCSA-N	-1	0	302.286	0.184	20	30		DCEDRM
C[C@@H](O)[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000547877684	341238752	/nfs/dbraw/zinc/23/87/52/341238752.db2.gz	QIDCKPXGKBDHJG-ZJUUUORDSA-N	-1	0	304.368	0.214	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NCc1ccccc1CC(=O)[O-]	ZINC000548223981	341252843	/nfs/dbraw/zinc/25/28/43/341252843.db2.gz	NWVPWXKTGRZFJQ-UHFFFAOYSA-N	-1	0	311.363	0.494	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)ncn2C	ZINC000548562477	341266082	/nfs/dbraw/zinc/26/60/82/341266082.db2.gz	TZUFSEVIVBLHDT-UHFFFAOYSA-N	-1	0	309.347	0.835	20	30		DCEDRM
CSCC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000569226043	341694686	/nfs/dbraw/zinc/69/46/86/341694686.db2.gz	KZFPCRNQDODDEV-IUCAKERBSA-N	-1	0	309.413	0.261	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1C	ZINC000574503520	341760505	/nfs/dbraw/zinc/76/05/05/341760505.db2.gz	KZZYZGCKFNVQCM-LLVKDONJSA-N	-1	0	301.368	0.740	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC1(C(=O)OC)CCSCC1	ZINC001602782494	1159784912	/nfs/dbraw/zinc/78/49/12/1159784912.db2.gz	MYIMRAIEJRYFOZ-UHFFFAOYSA-N	-1	0	301.364	0.962	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1CNS(C)(=O)=O	ZINC001602775898	1159784924	/nfs/dbraw/zinc/78/49/24/1159784924.db2.gz	JUMSDHMOMUJYHK-NSHDSACASA-N	-1	0	318.395	0.338	20	30		DCEDRM
CNC(=O)[C@@H]1CN(C(=O)c2s[n-]c(=O)c2Cl)CCO1	ZINC000328746308	526406209	/nfs/dbraw/zinc/40/62/09/526406209.db2.gz	AMDYKTWFYFTRSB-YFKPBYRVSA-N	-1	0	305.743	0.929	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C[C@H]1CSCCS1)C(=O)[O-]	ZINC000263160593	526787204	/nfs/dbraw/zinc/78/72/04/526787204.db2.gz	YARBHJUDQMUXNJ-VHSXEESVSA-N	-1	0	305.421	0.997	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000262885494	526791668	/nfs/dbraw/zinc/79/16/68/526791668.db2.gz	CMCKPQULYSBVCV-LLVKDONJSA-N	-1	0	324.289	0.989	20	30		DCEDRM
C=CCOC[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263064316	526803242	/nfs/dbraw/zinc/80/32/42/526803242.db2.gz	QUIJLTNHKTULJH-LBPRGKRZSA-N	-1	0	324.289	0.746	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CN1Cc2ccccc2C1=O)C(=O)[O-]	ZINC000263005686	526803474	/nfs/dbraw/zinc/80/34/74/526803474.db2.gz	MTCXOQRSICQGND-ZDUSSCGKSA-N	-1	0	318.329	0.414	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1sccc1-n1cnnn1)C(=O)[O-]	ZINC000262996673	526809526	/nfs/dbraw/zinc/80/95/26/526809526.db2.gz	LYSMWMJZLVIGGQ-QMMMGPOBSA-N	-1	0	323.334	0.109	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])c1	ZINC000262572328	527450616	/nfs/dbraw/zinc/45/06/16/527450616.db2.gz	CTMRGFXWHNVPSV-QWHCGFSZSA-N	-1	0	300.314	0.786	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(C)nn2C	ZINC000275374785	527583718	/nfs/dbraw/zinc/58/37/18/527583718.db2.gz	WTYKTFHALRZMCX-UHFFFAOYSA-N	-1	0	324.362	0.538	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000263247369	528384544	/nfs/dbraw/zinc/38/45/44/528384544.db2.gz	SJOVSGZGSXDGAB-WDEREUQCSA-N	-1	0	303.384	0.509	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000263474975	528709601	/nfs/dbraw/zinc/70/96/01/528709601.db2.gz	IYCKKLQEVRGVKX-PWSUYJOCSA-N	-1	0	303.384	0.509	20	30		DCEDRM
CCOC(=O)CC[C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000277996602	528760806	/nfs/dbraw/zinc/76/08/06/528760806.db2.gz	KCVUSSIIYPFKGE-JTQLQIEISA-N	-1	0	320.367	0.396	20	30		DCEDRM
Cc1ccc2ncc(/C([O-])=N/C[C@@H]3COCCO3)c(=O)n2c1	ZINC000328804291	546040067	/nfs/dbraw/zinc/04/00/67/546040067.db2.gz	BSNIZDRZLWJMFQ-LLVKDONJSA-N	-1	0	303.318	0.723	20	30		DCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001665169425	1174487776	/nfs/dbraw/zinc/48/77/76/1174487776.db2.gz	HPTSXRDIRPFQNR-SECBINFHSA-N	-1	0	316.335	0.906	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC000740320519	596947732	/nfs/dbraw/zinc/94/77/32/596947732.db2.gz	SRLMWMGJCOWFNB-UHFFFAOYSA-N	-1	0	301.302	0.820	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000738597372	597004226	/nfs/dbraw/zinc/00/42/26/597004226.db2.gz	RKMPYVNPVBJEHJ-GXFFZTMASA-N	-1	0	300.318	0.982	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NCc1cccs1	ZINC000819865120	597617720	/nfs/dbraw/zinc/61/77/20/597617720.db2.gz	HVGWEYDJSSHZET-CYBMUJFWSA-N	-1	0	310.331	0.912	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(Cc2ccccn2)CC1	ZINC000819823432	597629417	/nfs/dbraw/zinc/62/94/17/597629417.db2.gz	UWEHZOBUJNYBTE-INIZCTEOSA-N	-1	0	316.361	0.730	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(C2(C)OCCO2)CC1	ZINC000819811600	597654545	/nfs/dbraw/zinc/65/45/45/597654545.db2.gz	RUBUFCSLRUDNFZ-AWEZNQCLSA-N	-1	0	310.350	0.993	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCNC(=O)NC1CCCCC1	ZINC000819842230	597656701	/nfs/dbraw/zinc/65/67/01/597656701.db2.gz	LREMWPTUIIXEAI-HNNXBMFYSA-N	-1	0	324.381	0.739	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1ccc(C#N)cn1)[C@@H](C)C(=O)[O-]	ZINC000819752728	597691749	/nfs/dbraw/zinc/69/17/49/597691749.db2.gz	CCIFPBASGNAKDM-VIFPVBQESA-N	-1	0	304.306	0.005	20	30		DCEDRM
CC(C)N(CC(=O)[O-])C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000820000479	598075993	/nfs/dbraw/zinc/07/59/93/598075993.db2.gz	NPUYCHHQAJHKKP-UHFFFAOYSA-N	-1	0	303.318	0.610	20	30		DCEDRM
CN1C(=O)c2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2C1=O	ZINC000820615412	598222530	/nfs/dbraw/zinc/22/25/30/598222530.db2.gz	RXZDUSWSLFZXSY-HNNXBMFYSA-N	-1	0	315.285	0.855	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000819823746	598224418	/nfs/dbraw/zinc/22/44/18/598224418.db2.gz	WRGDXDWFFYGAHG-ABAIWWIYSA-N	-1	0	317.349	0.566	20	30		DCEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NCc1ccccc1	ZINC000820114805	598225055	/nfs/dbraw/zinc/22/50/55/598225055.db2.gz	QBNURWZWWNPWLU-BZNIZROVSA-N	-1	0	317.345	0.812	20	30		DCEDRM
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@@H](C(=O)[O-])C1	ZINC000736212198	599972312	/nfs/dbraw/zinc/97/23/12/599972312.db2.gz	RDKTUMJTTCVBQM-NWDGAFQWSA-N	-1	0	309.366	0.503	20	30		DCEDRM
CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1csnn1	ZINC000736126252	599987446	/nfs/dbraw/zinc/98/74/46/599987446.db2.gz	MYKDUTKGDZRNFU-JTQLQIEISA-N	-1	0	322.346	0.942	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CCO1	ZINC000388001075	599995828	/nfs/dbraw/zinc/99/58/28/599995828.db2.gz	DWVUVIJLCMGUIS-CYBMUJFWSA-N	-1	0	303.318	0.861	20	30		DCEDRM
N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC000739141871	600106891	/nfs/dbraw/zinc/10/68/91/600106891.db2.gz	BIPOJIBZGJCGHW-NEPJUHHUSA-N	-1	0	300.318	0.323	20	30		DCEDRM
C#CCCNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC000736077824	600228645	/nfs/dbraw/zinc/22/86/45/600228645.db2.gz	XWYKQHJTFSCIAX-UHFFFAOYSA-N	-1	0	303.318	0.575	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1	ZINC000739076617	600404694	/nfs/dbraw/zinc/40/46/94/600404694.db2.gz	AYGPOOLWNXMCHI-SNVBAGLBSA-N	-1	0	319.292	0.615	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(CC(F)(F)F)C1	ZINC000739077873	600406851	/nfs/dbraw/zinc/40/68/51/600406851.db2.gz	VOXGAJZIZFTTKW-VIFPVBQESA-N	-1	0	307.272	0.697	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CCN1Cc1ccccc1	ZINC000739070349	600413127	/nfs/dbraw/zinc/41/31/27/600413127.db2.gz	ZLNJRMBUIWFXDS-QLFBSQMISA-N	-1	0	313.357	0.944	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NCCSCC(=O)[O-])CCN1C1CC1	ZINC000739068200	600465741	/nfs/dbraw/zinc/46/57/41/600465741.db2.gz	BHIDMOQOLJFQMW-NSHDSACASA-N	-1	0	312.395	0.186	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNS(=O)(=O)CCCC(=O)[O-])c1	ZINC000736091446	600494287	/nfs/dbraw/zinc/49/42/87/600494287.db2.gz	UCHVKTPLIDSQDD-UHFFFAOYSA-N	-1	0	324.358	0.391	20	30		DCEDRM
CS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000738156901	600562996	/nfs/dbraw/zinc/56/29/96/600562996.db2.gz	FIEPOUFSQPAYGT-CYBMUJFWSA-N	-1	0	323.374	0.261	20	30		DCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC000736076698	600652083	/nfs/dbraw/zinc/65/20/83/600652083.db2.gz	KOCAJAWRNGTFTE-UHFFFAOYSA-N	-1	0	311.315	0.473	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000739085184	600764433	/nfs/dbraw/zinc/76/44/33/600764433.db2.gz	CWAMTRZGFAILTA-UHFFFAOYSA-N	-1	0	313.291	0.335	20	30		DCEDRM
C#CCOc1ccc(C(=O)N(CC(=O)[O-])CC(=O)OC)cc1	ZINC000736075697	600838344	/nfs/dbraw/zinc/83/83/44/600838344.db2.gz	BPZPXDHDPZTGAK-UHFFFAOYSA-N	-1	0	305.286	0.398	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000825618889	600916895	/nfs/dbraw/zinc/91/68/95/600916895.db2.gz	GUXLUSHSZXRMJT-ZIAGYGMSSA-N	-1	0	320.389	0.865	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2	ZINC000739077088	601020034	/nfs/dbraw/zinc/02/00/34/601020034.db2.gz	HJSRDTNVBRERBY-NWDGAFQWSA-N	-1	0	316.313	0.998	20	30		DCEDRM
N#CCN1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1	ZINC000833067704	601073130	/nfs/dbraw/zinc/07/31/30/601073130.db2.gz	YZNAOZLXZUUOAK-UHFFFAOYSA-N	-1	0	303.318	0.431	20	30		DCEDRM
N#C[C@@H]1COCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000738427629	601095816	/nfs/dbraw/zinc/09/58/16/601095816.db2.gz	DJFJCVPJOOSWTE-LLVKDONJSA-N	-1	0	305.246	0.658	20	30		DCEDRM
Cc1oc(S(=O)(=O)N2CCO[C@@H](C#N)C2)cc1C(=O)[O-]	ZINC000833028157	601220833	/nfs/dbraw/zinc/22/08/33/601220833.db2.gz	IHVMPOSGCJGGOP-QMMMGPOBSA-N	-1	0	300.292	0.199	20	30		DCEDRM
C[C@@H](CS(=O)(=O)N(CCC#N)Cc1ccccn1)C(=O)[O-]	ZINC000827532742	601275693	/nfs/dbraw/zinc/27/56/93/601275693.db2.gz	JXAPAPHMAOMNLW-NSHDSACASA-N	-1	0	311.363	0.848	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000091294158	601398246	/nfs/dbraw/zinc/39/82/46/601398246.db2.gz	MUSAVLWHUHYQQC-NSHDSACASA-N	-1	0	310.331	0.422	20	30		DCEDRM
C#CCN1CCN(C(=O)CNc2ccccc2C(=O)[O-])CC1	ZINC000825619497	601403639	/nfs/dbraw/zinc/40/36/39/601403639.db2.gz	NKSANTADXNCOPY-UHFFFAOYSA-N	-1	0	301.346	0.574	20	30		DCEDRM
C/C(=C\COC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000825758088	601427405	/nfs/dbraw/zinc/42/74/05/601427405.db2.gz	CIZDSRWGAGOXOU-DTIPFVMVSA-N	-1	0	308.290	0.477	20	30		DCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000833071255	601569450	/nfs/dbraw/zinc/56/94/50/601569450.db2.gz	DVYZNQUTHBFXTH-OCCSQVGLSA-N	-1	0	303.318	0.260	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000833069508	601798354	/nfs/dbraw/zinc/79/83/54/601798354.db2.gz	BZCALTUERXUZHH-GFCCVEGCSA-N	-1	0	316.285	0.885	20	30		DCEDRM
C#CCNC(=O)CN1CCN(Cc2ccsc2C(=O)[O-])CC1	ZINC000825620257	601822438	/nfs/dbraw/zinc/82/24/38/601822438.db2.gz	YYXDVWOSZHFHDX-UHFFFAOYSA-N	-1	0	321.402	0.313	20	30		DCEDRM
CC1(C)Cc2cc(S(=O)(=O)N(CC#N)CC(=O)[O-])ccc2O1	ZINC000828078769	601835250	/nfs/dbraw/zinc/83/52/50/601835250.db2.gz	QMDXFKKADDYZJY-UHFFFAOYSA-N	-1	0	324.358	0.999	20	30		DCEDRM
CNC(=O)N1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000831000925	601843967	/nfs/dbraw/zinc/84/39/67/601843967.db2.gz	QDQHTUSRLXDIIU-ZDUSSCGKSA-N	-1	0	302.334	0.641	20	30		DCEDRM
CN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000830894544	602305767	/nfs/dbraw/zinc/30/57/67/602305767.db2.gz	MJIPHTWMQKXSEJ-UHFFFAOYSA-N	-1	0	324.343	0.933	20	30		DCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000736366591	602724845	/nfs/dbraw/zinc/72/48/45/602724845.db2.gz	VLPMQBDUDPGAIM-QWHCGFSZSA-N	-1	0	310.398	0.971	20	30		DCEDRM
CN1CCN(C(=O)c2cccc(C#N)c2)[C@@H](CNC(=O)[O-])C1	ZINC000828513791	603505400	/nfs/dbraw/zinc/50/54/00/603505400.db2.gz	PYAMWJMIGYBAGU-ZDUSSCGKSA-N	-1	0	302.334	0.582	20	30		DCEDRM
CN(CC(=O)N(CCC#N)CCC#N)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828091019	603541579	/nfs/dbraw/zinc/54/15/79/603541579.db2.gz	UKSMYJHCWXVXJI-GFCCVEGCSA-N	-1	0	307.354	0.326	20	30		DCEDRM
COC(=O)c1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000828767158	603590807	/nfs/dbraw/zinc/59/08/07/603590807.db2.gz	UYUFHAXIJHQHTC-LBPRGKRZSA-N	-1	0	317.301	0.801	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc2c1OCCO2	ZINC000831091337	603591584	/nfs/dbraw/zinc/59/15/84/603591584.db2.gz	BRBMTMJNWRXLFX-SNVBAGLBSA-N	-1	0	317.301	0.786	20	30		DCEDRM
CC(C)CCC(=O)NCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824231821	603595866	/nfs/dbraw/zinc/59/58/66/603595866.db2.gz	MYEXSYQDAYERRU-LLVKDONJSA-N	-1	0	310.354	0.253	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(C(N)=O)cc1	ZINC000831086759	603600787	/nfs/dbraw/zinc/60/07/87/603600787.db2.gz	HGNMBOATWVKHOD-LLVKDONJSA-N	-1	0	302.290	0.113	20	30		DCEDRM
N#CCCN(CC1CC1)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000831097457	603602936	/nfs/dbraw/zinc/60/29/36/603602936.db2.gz	JRZIQNACVVLEDA-ZDUSSCGKSA-N	-1	0	321.381	0.669	20	30		DCEDRM
CC(C)c1noc(CCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000824511481	603603619	/nfs/dbraw/zinc/60/36/19/603603619.db2.gz	UHZUEYMIOCUUIX-SNVBAGLBSA-N	-1	0	321.337	0.840	20	30		DCEDRM
COc1cccc(NC(=O)CN2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000829571843	603729067	/nfs/dbraw/zinc/72/90/67/603729067.db2.gz	RXZUMLIEAIKPMK-LBPRGKRZSA-N	-1	0	318.333	0.821	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)[O-]	ZINC000823456937	603810677	/nfs/dbraw/zinc/81/06/77/603810677.db2.gz	SFUFDVCQIANQRH-LOWDOPEQSA-N	-1	0	322.361	0.979	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823455285	603836691	/nfs/dbraw/zinc/83/66/91/603836691.db2.gz	BPOUUSNBCDTEKB-ZYHUDNBSSA-N	-1	0	304.302	0.676	20	30		DCEDRM
C[C@H]1CCCCN1S(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825901327	603915345	/nfs/dbraw/zinc/91/53/45/603915345.db2.gz	OHZRVBLXXIPBTE-QWRGUYRKSA-N	-1	0	316.383	0.293	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)C1CC1	ZINC000823648301	604037751	/nfs/dbraw/zinc/03/77/51/604037751.db2.gz	SFINVZSBVPLVBH-XDMRBOTDSA-N	-1	0	323.349	0.774	20	30		DCEDRM
C[S@@](=O)c1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000829699799	604069084	/nfs/dbraw/zinc/06/90/84/604069084.db2.gz	MVDXZMZXSVBPNM-KPWVOAKYSA-N	-1	0	321.358	0.752	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000831153082	604069945	/nfs/dbraw/zinc/06/99/45/604069945.db2.gz	WWKZPBXOYXKTNS-LBPRGKRZSA-N	-1	0	314.301	0.651	20	30		DCEDRM
Cc1nn(C)c(C)c1OCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830857550	604071055	/nfs/dbraw/zinc/07/10/55/604071055.db2.gz	UPPNHDCOVRTUTR-NSHDSACASA-N	-1	0	321.337	0.130	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000831137059	604076921	/nfs/dbraw/zinc/07/69/21/604076921.db2.gz	QEAYGRDPYPUYOX-ZDUSSCGKSA-N	-1	0	313.317	0.685	20	30		DCEDRM
C[C@H](OC[C@H]1CCCO1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825612084	604079448	/nfs/dbraw/zinc/07/94/48/604079448.db2.gz	QIGNVGARGHXJDR-SDDRHHMPSA-N	-1	0	311.338	0.285	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1noc2c1CCCC2	ZINC000831091469	604084100	/nfs/dbraw/zinc/08/41/00/604084100.db2.gz	FOKJKJQHFXWGPK-VIFPVBQESA-N	-1	0	304.306	0.881	20	30		DCEDRM
CC(C)CC(=O)NCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824170044	604084214	/nfs/dbraw/zinc/08/42/14/604084214.db2.gz	CUZITVAQHRNREZ-NSHDSACASA-N	-1	0	310.354	0.253	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)c1	ZINC000823474973	604147749	/nfs/dbraw/zinc/14/77/49/604147749.db2.gz	SJUDEEMVYASXDW-NSHDSACASA-N	-1	0	315.329	0.817	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC[C@H](CNC(=O)[O-])C2)n1	ZINC000830985762	604154792	/nfs/dbraw/zinc/15/47/92/604154792.db2.gz	WBHHNWGSOLTVQE-SECBINFHSA-N	-1	0	306.326	0.803	20	30		DCEDRM
CN(C(=O)[O-])[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000827895096	604234945	/nfs/dbraw/zinc/23/49/45/604234945.db2.gz	NBKRLWYJQQRWBE-NSHDSACASA-N	-1	0	309.347	0.931	20	30		DCEDRM
CC1(C)c2cc(C(=O)N(CC#N)CC(=O)[O-])ccc2NC1=O	ZINC000828041567	604319910	/nfs/dbraw/zinc/31/99/10/604319910.db2.gz	CLGXBCHQRDIOOW-UHFFFAOYSA-N	-1	0	301.302	0.967	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCO1	ZINC000825350253	604364962	/nfs/dbraw/zinc/36/49/62/604364962.db2.gz	HQHOWZYBIGWXDW-GLQYFDAESA-N	-1	0	319.361	0.949	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(C#N)c1	ZINC000829983752	604495883	/nfs/dbraw/zinc/49/58/83/604495883.db2.gz	BILCZHSAGVRREC-LBPRGKRZSA-N	-1	0	312.347	0.668	20	30		DCEDRM
COCCN1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1=O	ZINC000833724065	604576867	/nfs/dbraw/zinc/57/68/67/604576867.db2.gz	FLMXHCHBEZEPGB-OAHLLOKOSA-N	-1	0	317.345	0.475	20	30		DCEDRM
CCS(=O)(=O)CC(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833665291	604583077	/nfs/dbraw/zinc/58/30/77/604583077.db2.gz	FZRHHZNBUCZWQK-UHFFFAOYSA-N	-1	0	311.315	0.734	20	30		DCEDRM
Cn1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c(=O)n(C)c1=O	ZINC000833044214	604627891	/nfs/dbraw/zinc/62/78/91/604627891.db2.gz	TWFIOEMLRMLXGS-BQYQJAHWSA-N	-1	0	314.297	0.678	20	30		DCEDRM
C#CCSCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833368314	604694653	/nfs/dbraw/zinc/69/46/53/604694653.db2.gz	LADORKBQRXLGMF-UHFFFAOYSA-N	-1	0	300.361	0.425	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)CCc1ccccc1C(=O)[O-]	ZINC000833365094	604734061	/nfs/dbraw/zinc/73/40/61/604734061.db2.gz	BMBVGKGLWGRZPA-LLVKDONJSA-N	-1	0	303.314	0.999	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)c(F)c1	ZINC000833073368	604829467	/nfs/dbraw/zinc/82/94/67/604829467.db2.gz	MPMLRBBOZZXTEI-CQSZACIVSA-N	-1	0	323.255	0.661	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000823466818	604858420	/nfs/dbraw/zinc/85/84/20/604858420.db2.gz	JEFQCCWHPSSBHU-CQSZACIVSA-N	-1	0	318.329	0.694	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)CN1CCN(CCC#N)CC1)C(=O)[O-]	ZINC000833640213	604927397	/nfs/dbraw/zinc/92/73/97/604927397.db2.gz	VOPSUEZMRQUQDM-JSGCOSHPSA-N	-1	0	310.398	0.133	20	30		DCEDRM
CCCC(C#N)(CCC)NC(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000826706124	604934878	/nfs/dbraw/zinc/93/48/78/604934878.db2.gz	MKGZRNKDUSGATH-UHFFFAOYSA-N	-1	0	324.381	0.787	20	30		DCEDRM
CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000833406688	605121684	/nfs/dbraw/zinc/12/16/84/605121684.db2.gz	DJKCJHADTHIQTA-UHFFFAOYSA-N	-1	0	303.318	0.918	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000393840968	605215523	/nfs/dbraw/zinc/21/55/23/605215523.db2.gz	YCXLKMPZNMEBAM-UHFFFAOYSA-N	-1	0	303.318	0.712	20	30		DCEDRM
N#CCN1CCC(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000831102462	605300469	/nfs/dbraw/zinc/30/04/69/605300469.db2.gz	KGQQNRZNDQGNPS-CYBMUJFWSA-N	-1	0	324.381	0.250	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)C=C2CN(C(=O)[O-])C2)C(N)=O)cc1	ZINC000833972462	605314449	/nfs/dbraw/zinc/31/44/49/605314449.db2.gz	DMHNQQNZDNARJU-ZDUSSCGKSA-N	-1	0	315.285	0.548	20	30		DCEDRM
C#CCOCCNC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC000833365993	605338888	/nfs/dbraw/zinc/33/88/88/605338888.db2.gz	ARUQZSMBSHVRML-UHFFFAOYSA-N	-1	0	320.301	0.943	20	30		DCEDRM
CN(CC(=O)N1CCN(C(=O)[O-])CC1)c1ncccc1C#N	ZINC000828095645	605354625	/nfs/dbraw/zinc/35/46/25/605354625.db2.gz	MEDCDLBPACLHDY-UHFFFAOYSA-N	-1	0	303.322	0.212	20	30		DCEDRM
C#CCN(C[C@H]1CC(C(=O)[O-])=C(C)O1)[C@@H]1CCS(=O)(=O)C1	ZINC000833364129	605359841	/nfs/dbraw/zinc/35/98/41/605359841.db2.gz	FAFGLQYEMLPVGL-VXGBXAGGSA-N	-1	0	313.375	0.256	20	30		DCEDRM
N#CCOc1cccc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])c1	ZINC000833966259	605414414	/nfs/dbraw/zinc/41/44/14/605414414.db2.gz	CZKVTIVJVSAOIY-JTQLQIEISA-N	-1	0	306.278	0.039	20	30		DCEDRM
C=CCN(CCc1ccco1)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000833374135	605490234	/nfs/dbraw/zinc/49/02/34/605490234.db2.gz	ABVBOVUCVGEEEI-UHFFFAOYSA-N	-1	0	304.306	0.827	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000833366309	605498899	/nfs/dbraw/zinc/49/88/99/605498899.db2.gz	QPBKZGLITAATFM-UHFFFAOYSA-N	-1	0	324.720	0.743	20	30		DCEDRM
N#Cc1ncn(CC(=O)NCC2(NC(=O)[O-])CCCCCC2)n1	ZINC000831161804	605629223	/nfs/dbraw/zinc/62/92/23/605629223.db2.gz	MMCKLDMTISVOQQ-UHFFFAOYSA-N	-1	0	320.353	0.627	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])nc1	ZINC000833368487	605652461	/nfs/dbraw/zinc/65/24/61/605652461.db2.gz	OIDGSRYPZWNIOF-DGCLKSJQSA-N	-1	0	316.313	0.541	20	30		DCEDRM
N#Cc1ccc(C(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000833973856	605722523	/nfs/dbraw/zinc/72/25/23/605722523.db2.gz	RDBYDCVAOKQFQG-CYBMUJFWSA-N	-1	0	318.285	0.663	20	30		DCEDRM
N#Cc1cccc(C(=O)COC(=O)[C@@H]2COCCN2C(=O)[O-])c1	ZINC000833977718	605723288	/nfs/dbraw/zinc/72/32/88/605723288.db2.gz	WLFGBDYBVSLYJI-LBPRGKRZSA-N	-1	0	318.285	0.663	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000833972397	605847316	/nfs/dbraw/zinc/84/73/16/605847316.db2.gz	CQLPJLMUZSGXAD-STQMWFEESA-N	-1	0	303.318	0.850	20	30		DCEDRM
C#CCNC(=O)COC(=O)[C@H]1c2ccccc2CCN1C(=O)[O-]	ZINC000823455799	605892711	/nfs/dbraw/zinc/89/27/11/605892711.db2.gz	FYHLNUQVXSCVHV-CQSZACIVSA-N	-1	0	316.313	0.556	20	30		DCEDRM
N#CCOc1cccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000833966151	605943025	/nfs/dbraw/zinc/94/30/25/605943025.db2.gz	ACOGYVUCDVEVBB-UHFFFAOYSA-N	-1	0	318.289	0.006	20	30		DCEDRM
N#Cc1cccc(COC(=O)[C@H](CC(N)=O)NC(=O)[O-])c1F	ZINC000833978854	605956052	/nfs/dbraw/zinc/95/60/52/605956052.db2.gz	YZZFNQAYBSRZEP-VIFPVBQESA-N	-1	0	309.253	0.252	20	30		DCEDRM
N#CCN1CCC(NC(=O)[C@@H](CC(F)F)NC(=O)[O-])CC1	ZINC000833968070	606041809	/nfs/dbraw/zinc/04/18/09/606041809.db2.gz	WPHHMMARILPQSW-SECBINFHSA-N	-1	0	304.297	0.382	20	30		DCEDRM
O=C([O-])NC[C@@H]1CCCC1N=NC1CCS(=O)(=O)CC1	ZINC000834212608	606080122	/nfs/dbraw/zinc/08/01/22/606080122.db2.gz	UUILKYUAHDBAQC-VIFPVBQESA-N	-1	0	303.384	0.577	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc(-c2nn[nH]n2)cs1	ZINC000820133421	606460799	/nfs/dbraw/zinc/46/07/99/606460799.db2.gz	RFUNCQYHZGFENU-QMMMGPOBSA-N	-1	0	304.335	0.775	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(-c2nn[nH]n2)cs1	ZINC000819751289	606461066	/nfs/dbraw/zinc/46/10/66/606461066.db2.gz	SXKWNPVLYHIXTD-QMMMGPOBSA-N	-1	0	302.319	0.553	20	30		DCEDRM
COc1cccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)n1	ZINC000821859411	606583827	/nfs/dbraw/zinc/58/38/27/606583827.db2.gz	ODJAZXAKHJFWPL-UHFFFAOYSA-N	-1	0	311.265	0.117	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1ccc(Cl)cn1	ZINC000826383398	609308457	/nfs/dbraw/zinc/30/84/57/609308457.db2.gz	YSAZPPIKGSMLEH-UHFFFAOYSA-N	-1	0	301.701	0.614	20	30		DCEDRM
Cc1nc(C)c(CC(=O)N2CC[C@@H](N(C)CC#N)C2)c(=O)[nH]1	ZINC000980383106	660926791	/nfs/dbraw/zinc/92/67/91/660926791.db2.gz	PXKNDQOWGPUBNC-GFCCVEGCSA-N	-1	0	303.366	0.398	20	30		DCEDRM
N#Cc1cc(CS(=O)(=O)NCC2OCCCO2)cs1	ZINC000914420851	664778501	/nfs/dbraw/zinc/77/85/01/664778501.db2.gz	CWCKSZVVXKZTCW-UHFFFAOYSA-N	-1	0	302.377	0.802	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(C)=O)CC1	ZINC000870839879	667765402	/nfs/dbraw/zinc/76/54/02/667765402.db2.gz	ZEPMWYZCLBODHZ-LLVKDONJSA-N	-1	0	302.396	0.702	20	30		DCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)cnn1C	ZINC000049501987	657471158	/nfs/dbraw/zinc/47/11/58/657471158.db2.gz	DXJQZJMEVURFTN-UHFFFAOYSA-N	-1	0	317.758	0.809	20	30		DCEDRM
C#CC1(O)CN(C(=O)c2ccccc2[N-]S(=O)(=O)CCC)C1	ZINC000890521382	657568952	/nfs/dbraw/zinc/56/89/52/657568952.db2.gz	CHWXEDDDGCQJFW-UHFFFAOYSA-N	-1	0	322.386	0.658	20	30		DCEDRM
COCC1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)CC1	ZINC000781599685	657605296	/nfs/dbraw/zinc/60/52/96/657605296.db2.gz	ZCDACNPBPQHOGG-UHFFFAOYSA-N	-1	0	312.322	0.929	20	30		DCEDRM
C[C@@H]1CO[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)C1	ZINC000892412432	658354084	/nfs/dbraw/zinc/35/40/84/658354084.db2.gz	ZGJCRUFMMYFLNC-GWCFXTLKSA-N	-1	0	308.359	0.929	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(CC(C)C)c1C	ZINC000179423386	658496906	/nfs/dbraw/zinc/49/69/06/658496906.db2.gz	WOUDMIIOCLFSQK-GFCCVEGCSA-N	-1	0	306.366	0.933	20	30		DCEDRM
CNC(=S)N(C)N=Cc1ccc(OC)cc1OCC(=O)[O-]	ZINC000841647910	659401101	/nfs/dbraw/zinc/40/11/01/659401101.db2.gz	NDUNQBPIQXSNEC-UHFFFAOYSA-N	-1	0	311.363	0.929	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CCOc1ccccc1	ZINC000892753153	659432357	/nfs/dbraw/zinc/43/23/57/659432357.db2.gz	GVNSFHINOKNBMG-UHFFFAOYSA-N	-1	0	313.400	0.878	20	30		DCEDRM
CO[C@]1(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCSC1	ZINC000892932999	659513251	/nfs/dbraw/zinc/51/32/51/659513251.db2.gz	OIJCLXMUOXIBRP-LLVKDONJSA-N	-1	0	306.409	0.504	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2	ZINC000892932151	659514650	/nfs/dbraw/zinc/51/46/50/659514650.db2.gz	DHENPYHKMGHBKK-UHFFFAOYSA-N	-1	0	311.384	0.888	20	30		DCEDRM
N#CCN1CCC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001028261373	661362052	/nfs/dbraw/zinc/36/20/52/661362052.db2.gz	WREJMFLFPRIZFE-SECBINFHSA-N	-1	0	301.306	0.646	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)NCCOCC(=O)[O-]	ZINC000093228404	662126456	/nfs/dbraw/zinc/12/64/56/662126456.db2.gz	NJQVJDYQRLUJNE-UHFFFAOYSA-N	-1	0	302.283	0.077	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CC[C@H](NCC#N)[C@H]2C)cc1=O	ZINC000986503106	662594824	/nfs/dbraw/zinc/59/48/24/662594824.db2.gz	QFFDXFHSKCJCSP-OCCSQVGLSA-N	-1	0	319.409	0.477	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(-c2ccc(Cl)cc2)n1	ZINC000752476229	662628050	/nfs/dbraw/zinc/62/80/50/662628050.db2.gz	LZWILVPTTZGVKO-SNVBAGLBSA-N	-1	0	303.709	0.989	20	30		DCEDRM
C[C@@H]1[C@H](NCC#N)CCN1C(=O)c1cnc(C2CC2)[nH]c1=O	ZINC000987135526	662647347	/nfs/dbraw/zinc/64/73/47/662647347.db2.gz	HTQVDQMWOKQTEQ-BXKDBHETSA-N	-1	0	301.350	0.776	20	30		DCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cccnc1C#N	ZINC000263479246	662695983	/nfs/dbraw/zinc/69/59/83/662695983.db2.gz	FWMAEQIXGDFJJF-VHSXEESVSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](NCC#N)C[C@@H]2C)cc1=O	ZINC000989126438	662884403	/nfs/dbraw/zinc/88/44/03/662884403.db2.gz	RPCILTNITTYSBW-JSGCOSHPSA-N	-1	0	319.409	0.477	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2C[C@H](NCC#N)C[C@H]2C)cc1=O	ZINC000989126442	662884545	/nfs/dbraw/zinc/88/45/45/662884545.db2.gz	RPCILTNITTYSBW-TZMCWYRMSA-N	-1	0	319.409	0.477	20	30		DCEDRM
CCn1cncc1S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899927322	663201395	/nfs/dbraw/zinc/20/13/95/663201395.db2.gz	UXTHTKHQESZRGX-NSHDSACASA-N	-1	0	311.363	0.392	20	30		DCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000901711170	663364573	/nfs/dbraw/zinc/36/45/73/663364573.db2.gz	PRNUXIFYRMVUGI-BZNIZROVSA-N	-1	0	314.345	0.713	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC000902444979	663414639	/nfs/dbraw/zinc/41/46/39/663414639.db2.gz	RRMFUJNGBNOXOV-OBJOEFQTSA-N	-1	0	324.377	0.550	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cccc(C(=O)[O-])c1F	ZINC000906932738	663652396	/nfs/dbraw/zinc/65/23/96/663652396.db2.gz	IUTZMNLCMFMIBM-UHFFFAOYSA-N	-1	0	301.295	0.452	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000908702875	663766817	/nfs/dbraw/zinc/76/68/17/663766817.db2.gz	CGCMMBCCZYNBKX-WOPDTQHZSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCCN1CCOC(C)(C)C1)C(=O)[O-]	ZINC000908913821	663774075	/nfs/dbraw/zinc/77/40/75/663774075.db2.gz	JFHBPSRFVPJQCF-LBPRGKRZSA-N	-1	0	313.398	0.816	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)NCCOC[C@@H]1CCCO1)C(=O)[O-]	ZINC000908906343	663774825	/nfs/dbraw/zinc/77/48/25/663774825.db2.gz	QONWPNLAOOAWSA-NWDGAFQWSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000908960483	663777164	/nfs/dbraw/zinc/77/71/64/663777164.db2.gz	FKWFXICPVAULOQ-ZDUSSCGKSA-N	-1	0	320.345	0.988	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000908960278	663777238	/nfs/dbraw/zinc/77/72/38/663777238.db2.gz	BFTZCJPNYCINFA-INIZCTEOSA-N	-1	0	318.329	0.742	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCO[C@@H](CC)C1)C(=O)[O-]	ZINC000908999586	663778163	/nfs/dbraw/zinc/77/81/63/663778163.db2.gz	ZTHWRKZWKAZALE-WOPDTQHZSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=CCCOCCNC(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000909116167	663781562	/nfs/dbraw/zinc/78/15/62/663781562.db2.gz	AJMBTQKWIPYUSL-GFCCVEGCSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000909246180	663787815	/nfs/dbraw/zinc/78/78/15/663787815.db2.gz	LQCAOSZKJIIZOE-OXIQGZBJSA-N	-1	0	312.366	0.851	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000910054270	663837989	/nfs/dbraw/zinc/83/79/89/663837989.db2.gz	LUWDNVJFRLEBSQ-GFCCVEGCSA-N	-1	0	303.314	0.983	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1cccc(OCCOC)c1)C(=O)[O-]	ZINC000910048305	663840638	/nfs/dbraw/zinc/84/06/38/663840638.db2.gz	IKHGJGLMMKMKEZ-CQSZACIVSA-N	-1	0	305.330	0.847	20	30		DCEDRM
C#C[C@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)[C@@H]1CCCO1	ZINC000911578457	664085844	/nfs/dbraw/zinc/08/58/44/664085844.db2.gz	JNGRGLWJMSRTPE-AAEUAGOBSA-N	-1	0	305.334	0.659	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CO)NC(=O)OCc1ccccc1	ZINC000911902785	664122847	/nfs/dbraw/zinc/12/28/47/664122847.db2.gz	GKEUTPZAASZBMM-DGCLKSJQSA-N	-1	0	308.334	0.896	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000911902784	664122907	/nfs/dbraw/zinc/12/29/07/664122907.db2.gz	GKEUTPZAASZBMM-AAEUAGOBSA-N	-1	0	308.334	0.896	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC000913437415	664314059	/nfs/dbraw/zinc/31/40/59/664314059.db2.gz	HBJWQDQBCBEGTO-KBPBESRZSA-N	-1	0	310.361	0.503	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)CCOC2	ZINC000171402275	664607974	/nfs/dbraw/zinc/60/79/74/664607974.db2.gz	HXEFGYXFKBZEIC-SNVBAGLBSA-N	-1	0	308.359	0.906	20	30		DCEDRM
N#Cc1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)ccc1F	ZINC000730544756	664791629	/nfs/dbraw/zinc/79/16/29/664791629.db2.gz	YSGXFKDHVRXMES-UHFFFAOYSA-N	-1	0	312.264	0.721	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)CNC(=O)C2CC2)n1	ZINC000915014613	664850932	/nfs/dbraw/zinc/85/09/32/664850932.db2.gz	QVCXDNJMYRSSOL-SNVBAGLBSA-N	-1	0	321.358	0.697	20	30		DCEDRM
N#CCOc1ccc(CC(=O)[N-]S(=O)(=O)N2CCCC2)cc1	ZINC000732498509	664939161	/nfs/dbraw/zinc/93/91/61/664939161.db2.gz	ZQWXKBXNDAWRDE-UHFFFAOYSA-N	-1	0	323.374	0.588	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC000732617336	664948176	/nfs/dbraw/zinc/94/81/76/664948176.db2.gz	GSUHYPXHYSKLFL-UHFFFAOYSA-N	-1	0	318.376	0.245	20	30		DCEDRM
C=CC[N@H+]1CCC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@H]1C	ZINC000993941312	665021005	/nfs/dbraw/zinc/02/10/05/665021005.db2.gz	AHVHACLQLVKNHY-YPMHNXCESA-N	-1	0	315.377	0.791	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)[O-]	ZINC000863420854	667142516	/nfs/dbraw/zinc/14/25/16/667142516.db2.gz	SPNFBLXDZCXURW-QMMMGPOBSA-N	-1	0	307.759	0.603	20	30		DCEDRM
Cc1nnc(NN=C2CCS(=O)(=O)c3ccccc32)[n-]c1=O	ZINC000916279888	665065646	/nfs/dbraw/zinc/06/56/46/665065646.db2.gz	QGBYYKLNEQLHFG-UHFFFAOYSA-N	-1	0	319.346	0.879	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)cc1	ZINC000916874987	665098413	/nfs/dbraw/zinc/09/84/13/665098413.db2.gz	JKSSRZPIJYWVRN-ZDUSSCGKSA-N	-1	0	318.329	0.948	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)OCC(=O)N2	ZINC000916891693	665099430	/nfs/dbraw/zinc/09/94/30/665099430.db2.gz	DPUZKKAKXBSEAX-JTQLQIEISA-N	-1	0	317.301	0.103	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCN2S(C)(=O)=O	ZINC000917002249	665107994	/nfs/dbraw/zinc/10/79/94/665107994.db2.gz	FPWSZWWPVQOFDH-LLVKDONJSA-N	-1	0	321.358	0.077	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCN2S(C)(=O)=O	ZINC000917002250	665108141	/nfs/dbraw/zinc/10/81/41/665108141.db2.gz	FPWSZWWPVQOFDH-NSHDSACASA-N	-1	0	321.358	0.077	20	30		DCEDRM
C#CCSCCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000919874778	665241230	/nfs/dbraw/zinc/24/12/30/665241230.db2.gz	FBRXLOJASMRNSB-SNVBAGLBSA-N	-1	0	309.395	0.766	20	30		DCEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@@H]1CCN(C(=O)[C@H](C)C#N)C1	ZINC000942742342	666213260	/nfs/dbraw/zinc/21/32/60/666213260.db2.gz	FGQPVVPSAKAHTO-MWLCHTKSSA-N	-1	0	319.365	0.646	20	30		DCEDRM
N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000733720818	666807986	/nfs/dbraw/zinc/80/79/86/666807986.db2.gz	HJKDEUSPFJCYHM-JTQLQIEISA-N	-1	0	310.331	0.437	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000733721552	666808324	/nfs/dbraw/zinc/80/83/24/666808324.db2.gz	AYJTWZMELVEHJY-ZWNOBZJWSA-N	-1	0	324.358	0.560	20	30		DCEDRM
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(=O)[nH][n-]2)c1	ZINC000733810063	666818413	/nfs/dbraw/zinc/81/84/13/666818413.db2.gz	RURSFIAGXRBMTQ-LLVKDONJSA-N	-1	0	300.318	0.860	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])c2cn(C)c(=O)n(C)c2=O)n1	ZINC000735204464	666969442	/nfs/dbraw/zinc/96/94/42/666969442.db2.gz	XBDXJEOFJALHML-QMMMGPOBSA-N	-1	0	304.331	0.339	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1	ZINC000862132683	667020642	/nfs/dbraw/zinc/02/06/42/667020642.db2.gz	JNGVAUWQDMAFKB-LBPRGKRZSA-N	-1	0	320.345	0.992	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000863408269	667140005	/nfs/dbraw/zinc/14/00/05/667140005.db2.gz	NMPWLWPZAZZYDV-LBPRGKRZSA-N	-1	0	310.331	0.463	20	30		DCEDRM
CON(C)C(=O)[C@H](C)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000863626506	667163091	/nfs/dbraw/zinc/16/30/91/667163091.db2.gz	IKIZRDHOBPEMNX-ZETCQYMHSA-N	-1	0	324.362	0.519	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C3(F)CCCC3)C2)c(=O)[n-]c1=O	ZINC000863935501	667195060	/nfs/dbraw/zinc/19/50/60/667195060.db2.gz	YYVSRPGFLISXDU-UHFFFAOYSA-N	-1	0	306.297	0.486	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-]	ZINC000864451672	667255937	/nfs/dbraw/zinc/25/59/37/667255937.db2.gz	IPLITARBLGTQRU-LLVKDONJSA-N	-1	0	306.384	0.351	20	30		DCEDRM
C#CCCCCNC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC000864525663	667258793	/nfs/dbraw/zinc/25/87/93/667258793.db2.gz	IOKUSWNKDMKORL-VXGBXAGGSA-N	-1	0	310.350	0.838	20	30		DCEDRM
Cn1nc2c(c1/C=C\C(=O)c1cnc([O-])n(C)c1=O)CCCC2	ZINC000865221221	667314823	/nfs/dbraw/zinc/31/48/23/667314823.db2.gz	VWFAFCQOBZJFJB-FPLPWBNLSA-N	-1	0	314.345	0.994	20	30		DCEDRM
C=CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001032503117	667332571	/nfs/dbraw/zinc/33/25/71/667332571.db2.gz	GFXMOKPQNVDDLZ-GJZGRUSLSA-N	-1	0	318.421	0.846	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001040644089	667425182	/nfs/dbraw/zinc/42/51/82/667425182.db2.gz	LWURJXQJDKXWQI-NSHDSACASA-N	-1	0	318.381	0.484	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)ncc1C#N	ZINC000838793836	667707082	/nfs/dbraw/zinc/70/70/82/667707082.db2.gz	PCUSQSWEAUFSQD-LBPRGKRZSA-N	-1	0	323.374	0.890	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)cc(C(=O)OC)c1	ZINC000838787242	667710215	/nfs/dbraw/zinc/71/02/15/667710215.db2.gz	MPNFBDXKWWNQKE-CYBMUJFWSA-N	-1	0	318.329	0.867	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)ncc1C#N	ZINC000838808575	667710822	/nfs/dbraw/zinc/71/08/22/667710822.db2.gz	FPBIIGRNOOCLBK-UHFFFAOYSA-N	-1	0	307.253	0.884	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@@H](C)CC2	ZINC000870137938	667713163	/nfs/dbraw/zinc/71/31/63/667713163.db2.gz	FLJWCKWRJXSJIH-WDEREUQCSA-N	-1	0	304.350	0.550	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1	ZINC000838911898	667716986	/nfs/dbraw/zinc/71/69/86/667716986.db2.gz	BNKMELFFGKXTTJ-SKDRFNHKSA-N	-1	0	322.346	0.354	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)nnn3C)CC1	ZINC000870832340	667765055	/nfs/dbraw/zinc/76/50/55/667765055.db2.gz	CTMSHIJOYYUVAY-UHFFFAOYSA-N	-1	0	306.347	0.747	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000887052021	667841714	/nfs/dbraw/zinc/84/17/14/667841714.db2.gz	HRRFAKQFLSVINC-LBPRGKRZSA-N	-1	0	324.377	0.239	20	30		DCEDRM
C#CCN(C)S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1	ZINC000871949204	667858954	/nfs/dbraw/zinc/85/89/54/667858954.db2.gz	QNFGMSMETLGDEU-UHFFFAOYSA-N	-1	0	309.343	0.988	20	30		DCEDRM
CN1CC(=O)N(CCCC(=O)Nc2cc(C#N)ccc2[O-])C1=O	ZINC000748411002	667926874	/nfs/dbraw/zinc/92/68/74/667926874.db2.gz	SLYXPAAJUPVBIO-UHFFFAOYSA-N	-1	0	316.317	0.877	20	30		DCEDRM
Cc1cccc(S(=O)(=O)[N-]c2cnn(CCO)c2)c1C#N	ZINC000749770127	667963342	/nfs/dbraw/zinc/96/33/42/667963342.db2.gz	WGZQWELQICVWMO-UHFFFAOYSA-N	-1	0	306.347	0.856	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCC(=O)N2C)n1	ZINC000752014395	668011461	/nfs/dbraw/zinc/01/14/61/668011461.db2.gz	SIBONCOMKVPCQC-ZJUUUORDSA-N	-1	0	321.358	0.792	20	30		DCEDRM
C[C@@H](C#N)CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1	ZINC000754175375	668042294	/nfs/dbraw/zinc/04/22/94/668042294.db2.gz	PXXWRNKDELXBDJ-VIFPVBQESA-N	-1	0	300.322	0.222	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(OC(C)C)n1	ZINC000754814798	668051699	/nfs/dbraw/zinc/05/16/99/668051699.db2.gz	CPRXCDUVHVPOHT-NSHDSACASA-N	-1	0	305.334	0.954	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)OC)OCC	ZINC000756558211	668092690	/nfs/dbraw/zinc/09/26/90/668092690.db2.gz	PAZYCUQINCGTAP-LLVKDONJSA-N	-1	0	321.395	0.757	20	30		DCEDRM
CC[S@@](=O)CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000757891541	668150876	/nfs/dbraw/zinc/15/08/76/668150876.db2.gz	NXUVLJKTRXYWFW-LJQANCHMSA-N	-1	0	322.358	0.883	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n1	ZINC000874415723	668182944	/nfs/dbraw/zinc/18/29/44/668182944.db2.gz	SGFOEWHBPALFPE-BJHJDKERSA-N	-1	0	304.350	0.911	20	30		DCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2cn(-c3ccccc3)nn2)nn1	ZINC000759085720	668205816	/nfs/dbraw/zinc/20/58/16/668205816.db2.gz	XHDVZHMVHDPYCV-VOTSOKGWSA-N	-1	0	324.300	0.840	20	30		DCEDRM
COC(=O)c1cn(CC(=O)Nc2cc(C#N)ccc2[O-])nn1	ZINC000759720716	668233643	/nfs/dbraw/zinc/23/36/43/668233643.db2.gz	VDVXYTFNZVDZTO-UHFFFAOYSA-N	-1	0	301.262	0.281	20	30		DCEDRM
COC(=O)c1coc(C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000760255224	668265252	/nfs/dbraw/zinc/26/52/52/668265252.db2.gz	FKXKGZGFIUIEEQ-UHFFFAOYSA-N	-1	0	300.292	0.430	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)C[C@H](C)OC	ZINC000764190132	668437936	/nfs/dbraw/zinc/43/79/36/668437936.db2.gz	BTYBUSOHBCMCIU-JTQLQIEISA-N	-1	0	314.363	0.741	20	30		DCEDRM
Cc1cc(OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)ccc1C#N	ZINC000765092392	668475421	/nfs/dbraw/zinc/47/54/21/668475421.db2.gz	SNZBMSYXVSGAIQ-UHFFFAOYSA-N	-1	0	309.285	0.857	20	30		DCEDRM
C=C(Br)CNC(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000927956831	668534651	/nfs/dbraw/zinc/53/46/51/668534651.db2.gz	RJSWVGXMTLQIPL-SSDOTTSWSA-N	-1	0	307.144	0.238	20	30		DCEDRM
C=CCN(C(=O)C(=O)NC[C@H](CC)C(=O)[O-])[C@@H](C)COC	ZINC000927957115	668538632	/nfs/dbraw/zinc/53/86/32/668538632.db2.gz	IDORTTABPLVBIF-QWRGUYRKSA-N	-1	0	300.355	0.263	20	30		DCEDRM
O=C([O-])Cn1cc(C=NNC(=S)Nc2ccc(F)cc2)nn1	ZINC000768477728	668611291	/nfs/dbraw/zinc/61/12/91/668611291.db2.gz	XTRWKHMLAQOAFM-UHFFFAOYSA-N	-1	0	322.325	0.822	20	30		DCEDRM
C#CCN1CCC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC000928653502	668612371	/nfs/dbraw/zinc/61/23/71/668612371.db2.gz	OODVRCJLZIYATG-UHFFFAOYSA-N	-1	0	300.318	0.756	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(CC(=O)C(C)(C)C)nn1	ZINC000769945017	668670120	/nfs/dbraw/zinc/67/01/20/668670120.db2.gz	IICWZBKNIUXYPZ-JTQLQIEISA-N	-1	0	317.349	0.518	20	30		DCEDRM
C=CCN(CC=C)C(=O)COC(=O)c1cc(=O)[n-]c(OC)n1	ZINC000770511414	668697407	/nfs/dbraw/zinc/69/74/07/668697407.db2.gz	OJIFJVQNYPBMGB-UHFFFAOYSA-N	-1	0	307.306	0.548	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CN2CCSC2=O)CCC1	ZINC000771075515	668730028	/nfs/dbraw/zinc/73/00/28/668730028.db2.gz	IIEJPMHYXOVFTC-UHFFFAOYSA-N	-1	0	317.392	0.295	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H](NC(C)=O)c1cccs1	ZINC000772717863	668782189	/nfs/dbraw/zinc/78/21/89/668782189.db2.gz	UGRRNNIXUASYNG-JTQLQIEISA-N	-1	0	316.404	0.947	20	30		DCEDRM
C[C@]1(CCCC(=O)Nc2cc(C#N)ccc2[O-])NC(=O)NC1=O	ZINC000772717540	668782340	/nfs/dbraw/zinc/78/23/40/668782340.db2.gz	MQKNAALZTJTCQD-OAHLLOKOSA-N	-1	0	316.317	0.971	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](CCSC)NC(=O)CC	ZINC000772718014	668782379	/nfs/dbraw/zinc/78/23/79/668782379.db2.gz	KQMYLFCKQUUQIJ-VIFPVBQESA-N	-1	0	308.425	0.266	20	30		DCEDRM
COCc1nc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)co1	ZINC000773951531	668817740	/nfs/dbraw/zinc/81/77/40/668817740.db2.gz	ONIUQLVELTUFFM-UHFFFAOYSA-N	-1	0	321.314	0.811	20	30		DCEDRM
CN(CC(=O)C(C#N)=C([O-])c1nccn1C)[C@H]1CCSC1	ZINC000774204025	668826730	/nfs/dbraw/zinc/82/67/30/668826730.db2.gz	GEQSWVWIPLXQTP-WDEREUQCSA-N	-1	0	306.391	0.749	20	30		DCEDRM
C[C@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000774207403	668826937	/nfs/dbraw/zinc/82/69/37/668826937.db2.gz	JNAIFVFSTJPCIQ-WDEREUQCSA-N	-1	0	300.380	0.799	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000775939622	668869560	/nfs/dbraw/zinc/86/95/60/668869560.db2.gz	GKCDUZPWKQTXTB-UHFFFAOYSA-N	-1	0	323.312	0.722	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nn1	ZINC000776115916	668871051	/nfs/dbraw/zinc/87/10/51/668871051.db2.gz	YUZGIYHITXIJJL-UHFFFAOYSA-N	-1	0	323.378	0.440	20	30		DCEDRM
C[C@@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776123132	668871480	/nfs/dbraw/zinc/87/14/80/668871480.db2.gz	LNKQTAWJGWCATP-SNVBAGLBSA-N	-1	0	315.395	0.431	20	30		DCEDRM
COC(=O)CSCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776142700	668871655	/nfs/dbraw/zinc/87/16/55/668871655.db2.gz	JEKOBJBIXQDGSP-UHFFFAOYSA-N	-1	0	322.408	0.278	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	ZINC000776596917	668878925	/nfs/dbraw/zinc/87/89/25/668878925.db2.gz	KHKDLSGECLXLKB-JTQLQIEISA-N	-1	0	319.379	0.669	20	30		DCEDRM
N#CC1(c2ccc(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)cc2)CC1	ZINC000777391187	668886883	/nfs/dbraw/zinc/88/68/83/668886883.db2.gz	IHZQTVLCTAOZNS-ZDUSSCGKSA-N	-1	0	324.344	0.969	20	30		DCEDRM
CCOc1cnc(C([O-])=C(C#N)C(=O)NCCCOC)cn1	ZINC000778604942	668901833	/nfs/dbraw/zinc/90/18/33/668901833.db2.gz	NSCOHPSKAYITCI-SNVBAGLBSA-N	-1	0	306.322	0.350	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)n(C)n1	ZINC000779317527	668909424	/nfs/dbraw/zinc/90/94/24/668909424.db2.gz	IPANHNUKNISUHO-UHFFFAOYSA-N	-1	0	310.379	0.872	20	30		DCEDRM
COc1cc(C(C)=NNC2=NC[C@H](C)N2)cc([N+](=O)[O-])c1[O-]	ZINC000779788332	668937147	/nfs/dbraw/zinc/93/71/47/668937147.db2.gz	XOVZSTUWOZRTLI-ZETCQYMHSA-N	-1	0	307.310	0.970	20	30		DCEDRM
N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc(=O)[nH][n-]2)n1	ZINC000781436798	669043131	/nfs/dbraw/zinc/04/31/31/669043131.db2.gz	RDWGTNYWZHBDBU-UHFFFAOYSA-N	-1	0	312.264	0.697	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)C[C@H]1CCCO1)cc2=O	ZINC000782921773	669132109	/nfs/dbraw/zinc/13/21/09/669132109.db2.gz	ZAMHTYTTYKOGJM-LLVKDONJSA-N	-1	0	302.290	0.919	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000783123305	669143913	/nfs/dbraw/zinc/14/39/13/669143913.db2.gz	GCFHEXCONYNFGZ-WCQYABFASA-N	-1	0	305.396	0.840	20	30		DCEDRM
C#CCO[N-]C(=O)Cc1csc(S[C@@H](CC)C(N)=O)n1	ZINC000880078426	669156248	/nfs/dbraw/zinc/15/62/48/669156248.db2.gz	DWVVHFMOUPJYIO-VIFPVBQESA-N	-1	0	313.404	0.723	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000790009142	669529399	/nfs/dbraw/zinc/52/93/99/669529399.db2.gz	BNONDIVZYQSSIM-ZJUUUORDSA-N	-1	0	310.316	0.990	20	30		DCEDRM
COC(=O)c1cc(C=Nn2c(=O)c(C)n[n-]c2=S)cn1C	ZINC000790147873	669540200	/nfs/dbraw/zinc/54/02/00/669540200.db2.gz	MXVLFTDSSBVGDN-UHFFFAOYSA-N	-1	0	307.335	0.243	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(C)nn(CC)c1Cl	ZINC000791108088	669594447	/nfs/dbraw/zinc/59/44/47/669594447.db2.gz	KNGZYWSXFRIKFP-UHFFFAOYSA-N	-1	0	303.771	0.948	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)CCC	ZINC000791110287	669594479	/nfs/dbraw/zinc/59/44/79/669594479.db2.gz	AYLIBDCCIZGORD-LLVKDONJSA-N	-1	0	300.380	0.247	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(Br)nn1C	ZINC000810776960	669665228	/nfs/dbraw/zinc/66/52/28/669665228.db2.gz	OURXJXAIKZYVGY-UHFFFAOYSA-N	-1	0	320.168	0.266	20	30		DCEDRM
CC[C@H](NN=Cc1ccc(F)c(S(N)(=O)=O)c1)C(=O)[O-]	ZINC000793057863	669700058	/nfs/dbraw/zinc/70/00/58/669700058.db2.gz	QMSFUDWPZXFKDM-VIFPVBQESA-N	-1	0	303.315	0.260	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc(OCC2CC2)cn1	ZINC000793124886	669703199	/nfs/dbraw/zinc/70/31/99/669703199.db2.gz	NMAMVQZYTMFZDL-LLVKDONJSA-N	-1	0	300.318	0.890	20	30		DCEDRM
C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194128	669706793	/nfs/dbraw/zinc/70/67/93/669706793.db2.gz	GGVDCPJYXZYGQG-SECBINFHSA-N	-1	0	315.395	0.287	20	30		DCEDRM
CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194582	669706850	/nfs/dbraw/zinc/70/68/50/669706850.db2.gz	QIWWJTUSJDJKAF-UHFFFAOYSA-N	-1	0	315.395	0.289	20	30		DCEDRM
COCc1nc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cs1	ZINC000793205430	669707466	/nfs/dbraw/zinc/70/74/66/669707466.db2.gz	ZVDLGRDOKBNPHO-UHFFFAOYSA-N	-1	0	315.376	0.653	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn2c1OCCC2	ZINC000796741762	669941448	/nfs/dbraw/zinc/94/14/48/669941448.db2.gz	SNEYHYUXGWROOW-SNVBAGLBSA-N	-1	0	306.322	0.141	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCc1ccccc1C(N)=O	ZINC000796810574	669942752	/nfs/dbraw/zinc/94/27/52/669942752.db2.gz	DGWJTLJOZRQNKO-UHFFFAOYSA-N	-1	0	323.374	0.468	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1OC	ZINC000796790994	669943119	/nfs/dbraw/zinc/94/31/19/669943119.db2.gz	BLLREHWZIHFHRL-UHFFFAOYSA-N	-1	0	300.292	0.849	20	30		DCEDRM
N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)c2cc[nH]n2)c1	ZINC000796882547	669946550	/nfs/dbraw/zinc/94/65/50/669946550.db2.gz	GJVAUAWWVIDTAE-UHFFFAOYSA-N	-1	0	306.303	0.165	20	30		DCEDRM
CCn1nc(C)c(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1C	ZINC000797059871	669954240	/nfs/dbraw/zinc/95/42/40/669954240.db2.gz	CTSWPSKVSAONOW-UHFFFAOYSA-N	-1	0	324.406	0.812	20	30		DCEDRM
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000797091729	669955567	/nfs/dbraw/zinc/95/55/67/669955567.db2.gz	WJMFCHJDFGKGJD-JGVFFNPUSA-N	-1	0	314.319	0.408	20	30		DCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000797288880	669963495	/nfs/dbraw/zinc/96/34/95/669963495.db2.gz	CFXCCRLPHHJAOY-LURJTMIESA-N	-1	0	302.333	0.241	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCCCO2	ZINC000798203436	669992106	/nfs/dbraw/zinc/99/21/06/669992106.db2.gz	ZPUKITPOJDCAKF-UHFFFAOYSA-N	-1	0	309.343	0.931	20	30		DCEDRM
CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000798831029	670026629	/nfs/dbraw/zinc/02/66/29/670026629.db2.gz	YZUOOCVIGOPAQM-NXEZZACHSA-N	-1	0	313.383	0.593	20	30		DCEDRM
Cn1nncc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F	ZINC000798857562	670027982	/nfs/dbraw/zinc/02/79/82/670027982.db2.gz	CTUPGGIIEYYUFR-JTQLQIEISA-N	-1	0	319.271	0.732	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)C1=CCOCC1	ZINC000802030598	670148502	/nfs/dbraw/zinc/14/85/02/670148502.db2.gz	KIDKRCCRHUALRG-UHFFFAOYSA-N	-1	0	306.343	0.851	20	30		DCEDRM
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000802153656	670152665	/nfs/dbraw/zinc/15/26/65/670152665.db2.gz	LRZUXMCVCZWOKA-DTWKUNHWSA-N	-1	0	304.368	0.570	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(C)c1	ZINC000193412029	670280072	/nfs/dbraw/zinc/28/00/72/670280072.db2.gz	VZALBQJTPSTUGC-LLVKDONJSA-N	-1	0	305.290	0.988	20	30		DCEDRM
C#CCN1CCOC2(CCN(C(=O)c3ncccc3O)CC2)C1	ZINC000949348902	670318987	/nfs/dbraw/zinc/31/89/87/670318987.db2.gz	OEJODTDRWKCMNL-UHFFFAOYSA-N	-1	0	315.373	0.727	20	30		DCEDRM
O=C1Nc2cc3c(cc2C1=N[N-]c1nc[nH]n1)OCCCO3	ZINC000807998177	670383834	/nfs/dbraw/zinc/38/38/34/670383834.db2.gz	SZTGAEYQJNAMII-UHFFFAOYSA-N	-1	0	300.278	0.734	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cc(C#N)cn1C	ZINC000809031713	670438178	/nfs/dbraw/zinc/43/81/78/670438178.db2.gz	JEZHORSJXAGPIR-UHFFFAOYSA-N	-1	0	307.335	0.057	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)N(C)CCOC	ZINC000810625257	670491779	/nfs/dbraw/zinc/49/17/79/670491779.db2.gz	CHEVLUDSSMSGHY-UHFFFAOYSA-N	-1	0	310.375	0.150	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccnc3ccncc32)CC1	ZINC000810668953	670493350	/nfs/dbraw/zinc/49/33/50/670493350.db2.gz	GVLAIMAXOZOGEX-UHFFFAOYSA-N	-1	0	316.342	0.993	20	30		DCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2cccnc2)n1	ZINC000810668348	670493478	/nfs/dbraw/zinc/49/34/78/670493478.db2.gz	OUCDVRLQEOIMPS-UHFFFAOYSA-N	-1	0	302.315	0.608	20	30		DCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)c2ncccc2F)n1	ZINC000810715439	670494694	/nfs/dbraw/zinc/49/46/94/670494694.db2.gz	JVPMKEQUEWIUJR-UHFFFAOYSA-N	-1	0	306.278	0.606	20	30		DCEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)cn1	ZINC000810719523	670495201	/nfs/dbraw/zinc/49/52/01/670495201.db2.gz	NNEBJVWRFCJRAX-UHFFFAOYSA-N	-1	0	318.314	0.476	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc2c([nH]c1=O)CCCC2=O	ZINC000810772957	670496599	/nfs/dbraw/zinc/49/65/99/670496599.db2.gz	LQHVTUKYFCSIFQ-UHFFFAOYSA-N	-1	0	322.342	0.389	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(CNC(C)=O)s1	ZINC000810774638	670496991	/nfs/dbraw/zinc/49/69/91/670496991.db2.gz	OXHDREWYHDVMKL-UHFFFAOYSA-N	-1	0	314.388	0.467	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1NC	ZINC000810774433	670497027	/nfs/dbraw/zinc/49/70/27/670497027.db2.gz	ZGKZXFHETVASEO-UHFFFAOYSA-N	-1	0	311.319	0.719	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)(C)C	ZINC000810775708	670497247	/nfs/dbraw/zinc/49/72/47/670497247.db2.gz	QMHXKDCNMZRBFZ-NSHDSACASA-N	-1	0	314.407	0.493	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc2c(cc1OC)OCO2	ZINC000810782999	670497815	/nfs/dbraw/zinc/49/78/15/670497815.db2.gz	AAACDZYMROFMHF-UHFFFAOYSA-N	-1	0	311.315	0.507	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1nnn(CC2CCCC2)c1C	ZINC000810785016	670497985	/nfs/dbraw/zinc/49/79/85/670497985.db2.gz	UXILILKFYRAMQO-UHFFFAOYSA-N	-1	0	324.406	0.860	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)n2cnc(C#N)n2)CC1	ZINC000810984133	670501895	/nfs/dbraw/zinc/50/18/95/670501895.db2.gz	SNGVORMFMMJBAZ-VIFPVBQESA-N	-1	0	309.351	0.265	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)c1ccccc1[N-]S(=O)(=O)CCC	ZINC000854547697	670586604	/nfs/dbraw/zinc/58/66/04/670586604.db2.gz	YMYJDTSLLAQBTD-LBPRGKRZSA-N	-1	0	324.402	0.952	20	30		DCEDRM
COC(=O)c1coc(S(=O)(=O)[N-]C(=O)CCCCC#N)c1	ZINC000847736753	670595785	/nfs/dbraw/zinc/59/57/85/670595785.db2.gz	CGFGHTBBMGOBPH-UHFFFAOYSA-N	-1	0	314.319	0.955	20	30		DCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1COC[C@@H]1c1ccccc1	ZINC000854648235	670604338	/nfs/dbraw/zinc/60/43/38/670604338.db2.gz	AUQFDLQWULDKFX-HZSPNIEDSA-N	-1	0	304.346	0.913	20	30		DCEDRM
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCCC#N	ZINC000813066580	670609063	/nfs/dbraw/zinc/60/90/63/670609063.db2.gz	FPOJQSOXNIPVBD-JTQLQIEISA-N	-1	0	317.367	0.069	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1	ZINC000847998396	670619386	/nfs/dbraw/zinc/61/93/86/670619386.db2.gz	VCASRFVVUAAIEL-ZETCQYMHSA-N	-1	0	301.324	0.181	20	30		DCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2ccc(C#N)cc2)cnn1C	ZINC000813957097	670666476	/nfs/dbraw/zinc/66/64/76/670666476.db2.gz	XFDRGIKSBSMJIB-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983297	670667493	/nfs/dbraw/zinc/66/74/93/670667493.db2.gz	OWFSRURXFRLZQK-AWEZNQCLSA-N	-1	0	323.374	0.987	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)c1cnn(C)c1	ZINC000813981724	670667845	/nfs/dbraw/zinc/66/78/45/670667845.db2.gz	IHCWRIFSGPXKEK-VIFPVBQESA-N	-1	0	319.346	0.295	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)ccn1	ZINC000813983479	670668312	/nfs/dbraw/zinc/66/83/12/670668312.db2.gz	AQEGYPFTPZYMPN-UHFFFAOYSA-N	-1	0	302.315	0.775	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)[N-]OC1CCOCC1	ZINC000814181464	670678990	/nfs/dbraw/zinc/67/89/90/670678990.db2.gz	ZXKDRRVUQUSJMX-YPMHNXCESA-N	-1	0	312.366	0.311	20	30		DCEDRM
Cc1sc2ncnc([N-]N=C3C(=O)NC(=O)NC3=O)c2c1C	ZINC000814213315	670680496	/nfs/dbraw/zinc/68/04/96/670680496.db2.gz	HSQZQIVGUFMISV-UHFFFAOYSA-N	-1	0	318.318	0.442	20	30		DCEDRM
Cc1ccc(NC(=S)NN=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000814214056	670681095	/nfs/dbraw/zinc/68/10/95/670681095.db2.gz	OTJPJZYAQYUTPP-UHFFFAOYSA-N	-1	0	305.319	0.003	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cnc2ccc(Br)cn12	ZINC000814232781	670681750	/nfs/dbraw/zinc/68/17/50/670681750.db2.gz	LYDNXJICYVYOEZ-UHFFFAOYSA-N	-1	0	323.110	0.982	20	30		DCEDRM
Cn1cc(CC(=O)[N-]S(=O)(=O)CCCC#N)c(Cl)n1	ZINC000816005305	670779795	/nfs/dbraw/zinc/77/97/95/670779795.db2.gz	HOJUZJZQZJKJQZ-UHFFFAOYSA-N	-1	0	304.759	0.366	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000816005172	670779803	/nfs/dbraw/zinc/77/98/03/670779803.db2.gz	BWVMBXOJXKTZQZ-UHFFFAOYSA-N	-1	0	320.374	0.988	20	30		DCEDRM
COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccccc2[O-])CC1	ZINC000849397363	670789127	/nfs/dbraw/zinc/78/91/27/670789127.db2.gz	ZCWAMPOOOYOKHQ-UHFFFAOYSA-N	-1	0	324.358	0.860	20	30		DCEDRM
C#CCn1cc(CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cn1	ZINC000816373555	670808105	/nfs/dbraw/zinc/80/81/05/670808105.db2.gz	JXBPXRRACLOEMH-UHFFFAOYSA-N	-1	0	316.283	0.590	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1	ZINC000816464730	670813700	/nfs/dbraw/zinc/81/37/00/670813700.db2.gz	LHNCZESTQSETOT-NSHDSACASA-N	-1	0	311.363	0.453	20	30		DCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2ncc(C#N)cc2C)C1=O	ZINC000816542359	670820466	/nfs/dbraw/zinc/82/04/66/670820466.db2.gz	MABWVIPRSFULQC-AWEZNQCLSA-N	-1	0	301.306	0.627	20	30		DCEDRM
COC(=O)c1cc(C=Nn2c(=O)[n-][nH]c2=O)n2c1CCCC2	ZINC000857210013	670895884	/nfs/dbraw/zinc/89/58/84/670895884.db2.gz	KPJDZLNJIUDWFA-UHFFFAOYSA-N	-1	0	305.294	0.496	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C	ZINC000850913318	670954176	/nfs/dbraw/zinc/95/41/76/670954176.db2.gz	OJYNAVADPDELPC-GFCCVEGCSA-N	-1	0	307.368	0.365	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)ccc1C#N	ZINC000850934061	670955767	/nfs/dbraw/zinc/95/57/67/670955767.db2.gz	OXJIENGEOWYJFR-LBPRGKRZSA-N	-1	0	324.358	0.805	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21	ZINC000851000373	670960348	/nfs/dbraw/zinc/96/03/48/670960348.db2.gz	UIJIIVFYRMTDGD-QJPTWQEYSA-N	-1	0	312.391	0.151	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C	ZINC000851174363	670972119	/nfs/dbraw/zinc/97/21/19/670972119.db2.gz	BYSOGHCHRDIQSF-UHFFFAOYSA-N	-1	0	320.374	0.967	20	30		DCEDRM
CON=Cc1ccc(C(=O)[N-]S(=O)(=O)CC(F)F)cc1	ZINC000851359374	670980183	/nfs/dbraw/zinc/98/01/83/670980183.db2.gz	KFTWFLGMJFGVMQ-UHFFFAOYSA-N	-1	0	306.290	0.992	20	30		DCEDRM
N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)CC(F)F)c1	ZINC000851359357	670980326	/nfs/dbraw/zinc/98/03/26/670980326.db2.gz	JSHOLQNZUDWFAT-UHFFFAOYSA-N	-1	0	304.274	0.648	20	30		DCEDRM
N#CCCCS(=O)(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1	ZINC000819097795	671095837	/nfs/dbraw/zinc/09/58/37/671095837.db2.gz	OINWQEQETAIWMG-UHFFFAOYSA-N	-1	0	322.346	0.984	20	30		DCEDRM
CC(C)C(=O)NC1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819955326	671149406	/nfs/dbraw/zinc/14/94/06/671149406.db2.gz	SQCPDJNMILPKIY-OAHLLOKOSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000852950741	671199345	/nfs/dbraw/zinc/19/93/45/671199345.db2.gz	MRHJDNCBRLAWRK-AUECHBEKSA-N	-1	0	321.333	0.130	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(C)c(C(=O)OC)o1	ZINC000853068187	671205660	/nfs/dbraw/zinc/20/56/60/671205660.db2.gz	RGCWZFLHGYGLSR-UHFFFAOYSA-N	-1	0	315.303	0.083	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000117538515	671213319	/nfs/dbraw/zinc/21/33/19/671213319.db2.gz	WJSOZCYTHIMWAD-UHFFFAOYSA-N	-1	0	308.359	0.744	20	30		DCEDRM
COC(=O)c1cccc(/C=C/C(=O)c2cnc([O-])n(C)c2=O)n1	ZINC000821039983	671248149	/nfs/dbraw/zinc/24/81/49/671248149.db2.gz	VEHXZDUBQBZNCM-VOTSOKGWSA-N	-1	0	315.285	0.564	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)C2=CCOCC2)c(F)c1	ZINC000861014012	671259813	/nfs/dbraw/zinc/25/98/13/671259813.db2.gz	CSGACFZCRHZLHN-UHFFFAOYSA-N	-1	0	324.333	0.990	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1	ZINC000821192956	671260654	/nfs/dbraw/zinc/26/06/54/671260654.db2.gz	OCQKLXYEWWSUSR-UHFFFAOYSA-N	-1	0	317.411	0.114	20	30		DCEDRM
CCCNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000821582270	671284440	/nfs/dbraw/zinc/28/44/40/671284440.db2.gz	INAXAQUMHLVCDJ-UHFFFAOYSA-N	-1	0	323.374	0.800	20	30		DCEDRM
CN(C)C(=O)c1cccc(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000821582188	671284459	/nfs/dbraw/zinc/28/44/59/671284459.db2.gz	GMTHMIVSXXFTJZ-UHFFFAOYSA-N	-1	0	309.347	0.362	20	30		DCEDRM
C#CCSCCOC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000821601073	671285694	/nfs/dbraw/zinc/28/56/94/671285694.db2.gz	POAAMCIBWXBWIX-UHFFFAOYSA-N	-1	0	305.359	0.783	20	30		DCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1c[nH]c(-c2nn[nH]n2)c1	ZINC000825276076	671454786	/nfs/dbraw/zinc/45/47/86/671454786.db2.gz	OJTNIGZEWJNXKB-SNVBAGLBSA-N	-1	0	315.337	0.824	20	30		DCEDRM
COc1ccc(C=O)cc1Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000826190764	671482008	/nfs/dbraw/zinc/48/20/08/671482008.db2.gz	MLXUCRBYINHXBE-UHFFFAOYSA-N	-1	0	309.289	0.804	20	30		DCEDRM
Cc1cccc2nc(Cn3cnc(-c4nnn[n-]4)c3C#N)cn21	ZINC000826304934	671483416	/nfs/dbraw/zinc/48/34/16/671483416.db2.gz	DWYYVDXSSLLXNR-UHFFFAOYSA-N	-1	0	305.305	0.939	20	30		DCEDRM
COC(=O)c1ccc(NC(=O)CN(CC#N)CC(=O)[O-])cc1	ZINC000831399196	671667549	/nfs/dbraw/zinc/66/75/49/671667549.db2.gz	OAKLNXHDTWEDFT-UHFFFAOYSA-N	-1	0	305.290	0.322	20	30		DCEDRM
COC[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CCOC1	ZINC000835039226	671786900	/nfs/dbraw/zinc/78/69/00/671786900.db2.gz	YIOXROHBQZNSCX-CQSZACIVSA-N	-1	0	324.358	0.416	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1	ZINC000835156102	671789274	/nfs/dbraw/zinc/78/92/74/671789274.db2.gz	PTLJGUNWXHUZQS-QMMMGPOBSA-N	-1	0	302.739	0.578	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1C	ZINC000835405503	671795556	/nfs/dbraw/zinc/79/55/56/671795556.db2.gz	SDVHRCSAMQPDSB-LLVKDONJSA-N	-1	0	311.359	0.847	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CCOCc1ccccc1	ZINC000835506716	671797830	/nfs/dbraw/zinc/79/78/30/671797830.db2.gz	HRVNDQLXVFTRQD-UHFFFAOYSA-N	-1	0	313.375	0.852	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)n1cnc(C#N)n1	ZINC000835740486	671804647	/nfs/dbraw/zinc/80/46/47/671804647.db2.gz	LZEJLUCFAJVSKM-ZNSHCXBVSA-N	-1	0	323.378	0.345	20	30		DCEDRM
CCOC(=O)C1(C(=O)[N-]S(=O)(=O)CCC#N)CCCC1	ZINC000842792636	672037866	/nfs/dbraw/zinc/03/78/66/672037866.db2.gz	GVYUGGHRFGUJBV-UHFFFAOYSA-N	-1	0	302.352	0.470	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC000867355276	672178863	/nfs/dbraw/zinc/17/88/63/672178863.db2.gz	ALCSGFSBKRKQHW-MNOVXSKESA-N	-1	0	308.425	0.816	20	30		DCEDRM
COc1cc(C)[nH]c(=NNS(=O)(=O)CCC(C)(C)C#N)n1	ZINC000844655786	672191667	/nfs/dbraw/zinc/19/16/67/672191667.db2.gz	BEYOXCKIBCQBBI-UHFFFAOYSA-N	-1	0	313.383	0.980	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)CC1(OC)CCCC1)C(=O)OC	ZINC000867388421	672262474	/nfs/dbraw/zinc/26/24/74/672262474.db2.gz	MHFILWQXEMXHAP-NSHDSACASA-N	-1	0	303.380	0.430	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)CC1(COC)CCC1)C(=O)OC	ZINC000845947269	672284193	/nfs/dbraw/zinc/28/41/93/672284193.db2.gz	XKYFJXYVDSWWKB-LLVKDONJSA-N	-1	0	303.380	0.287	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1	ZINC000846146175	672297510	/nfs/dbraw/zinc/29/75/10/672297510.db2.gz	GHRAYGIKVQAZOB-ZDUSSCGKSA-N	-1	0	319.317	0.474	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1	ZINC000846145473	672297599	/nfs/dbraw/zinc/29/75/99/672297599.db2.gz	FWTZVZSKYDJDKZ-LBPRGKRZSA-N	-1	0	308.338	0.625	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(OCC(=O)OC)c1	ZINC000846151725	672297962	/nfs/dbraw/zinc/29/79/62/672297962.db2.gz	FUYFBIKEMLRTBX-JTQLQIEISA-N	-1	0	322.317	0.799	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2	ZINC000846156147	672298204	/nfs/dbraw/zinc/29/82/04/672298204.db2.gz	YOYNOUBIZAUUBP-VIFPVBQESA-N	-1	0	319.317	0.603	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1	ZINC000846157307	672298294	/nfs/dbraw/zinc/29/82/94/672298294.db2.gz	UFMGVZVYOYZVNK-ZANVPECISA-N	-1	0	319.317	0.472	20	30		DCEDRM
C=C(C)CONC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000846536113	672325923	/nfs/dbraw/zinc/32/59/23/672325923.db2.gz	UBCSRJDWTDLSDZ-UHFFFAOYSA-N	-1	0	314.363	0.880	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)CNS(=O)(=O)c1cccc(F)c1	ZINC000846542081	672326416	/nfs/dbraw/zinc/32/64/16/672326416.db2.gz	UEGVYHQNWGWEKE-SECBINFHSA-N	-1	0	302.327	0.726	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1	ZINC000846543940	672326523	/nfs/dbraw/zinc/32/65/23/672326523.db2.gz	NJPYPLCIGXDHHF-ZANVPECISA-N	-1	0	320.324	0.868	20	30		DCEDRM
C=C[C@H](C)ONC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000846551084	672326739	/nfs/dbraw/zinc/32/67/39/672326739.db2.gz	WHSRXJPTHPHSLJ-VIFPVBQESA-N	-1	0	314.363	0.878	20	30		DCEDRM
N#Cc1ccccc1N1CCN(C(=O)CCNC(=O)[O-])CC1	ZINC000739147233	685327222	/nfs/dbraw/zinc/32/72/22/685327222.db2.gz	QTRNBCNXIYZMEZ-UHFFFAOYSA-N	-1	0	302.334	0.865	20	30		DCEDRM
CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cn1	ZINC000793195153	685343654	/nfs/dbraw/zinc/34/36/54/685343654.db2.gz	HKLOIJZZHYXIJH-UHFFFAOYSA-N	-1	0	310.379	0.902	20	30		DCEDRM
Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)o1	ZINC000813985426	685351675	/nfs/dbraw/zinc/35/16/75/685351675.db2.gz	ZXRUFYAXZZFVRR-UHFFFAOYSA-N	-1	0	305.315	0.902	20	30		DCEDRM
CO[C@H](C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1	ZINC000795826863	685345018	/nfs/dbraw/zinc/34/50/18/685345018.db2.gz	CMFDUAOJJIMGCU-LBPRGKRZSA-N	-1	0	302.290	0.775	20	30		DCEDRM
C=C1CCC(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)CC1	ZINC001038661611	694153672	/nfs/dbraw/zinc/15/36/72/694153672.db2.gz	LSMCTKRNMQQPBQ-GFCCVEGCSA-N	-1	0	305.382	0.947	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CCCN(CC#N)C2)cc1=O	ZINC001007827502	690755129	/nfs/dbraw/zinc/75/51/29/690755129.db2.gz	VWLYGGSIMODNOK-CYBMUJFWSA-N	-1	0	319.409	0.479	20	30		DCEDRM
C=C(Cl)CN1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001015490067	692316332	/nfs/dbraw/zinc/31/63/32/692316332.db2.gz	ZDIMBWUVVFXMHF-SECBINFHSA-N	-1	0	312.757	0.043	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)C#CC(C)C)c1[O-]	ZINC001076165513	695002886	/nfs/dbraw/zinc/00/28/86/695002886.db2.gz	FBFUZJRVPWAIMB-JTQLQIEISA-N	-1	0	306.366	0.708	20	30		DCEDRM
C#Cc1cncc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)c1	ZINC001570736065	1162606807	/nfs/dbraw/zinc/60/68/07/1162606807.db2.gz	QEGTWGSPIILTOB-JTQLQIEISA-N	-1	0	314.349	0.137	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001111491349	1157721422	/nfs/dbraw/zinc/72/14/22/1157721422.db2.gz	XUTSQRXKINLAAF-KKOKHZNYSA-N	-1	0	321.381	0.323	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)C#CC(C)C)c1[O-]	ZINC001572249858	1163079496	/nfs/dbraw/zinc/07/94/96/1163079496.db2.gz	XNFUYDYREFCFTK-SNVBAGLBSA-N	-1	0	306.366	0.660	20	30		DCEDRM
N#Cc1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)cc1F	ZINC001570338827	1161564834	/nfs/dbraw/zinc/56/48/34/1161564834.db2.gz	HTJQUQPJENSXQM-UHFFFAOYSA-N	-1	0	311.276	0.963	20	30		DCEDRM
C=CCOCC(=O)N(C)C1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001572554704	1163218395	/nfs/dbraw/zinc/21/83/95/1163218395.db2.gz	YOEWJRPJJQMWRK-UHFFFAOYSA-N	-1	0	322.365	0.346	20	30		DCEDRM
C=CCCCC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1	ZINC001572987052	1163351091	/nfs/dbraw/zinc/35/10/91/1163351091.db2.gz	LHEWLTGYWASWKW-MNOVXSKESA-N	-1	0	322.365	0.082	20	30		DCEDRM
C[C@H](C(=O)Nc1nc(C(=O)[O-])c(Cl)[nH]1)n1cnc(C#N)n1	ZINC001573400615	1163428448	/nfs/dbraw/zinc/42/84/48/1163428448.db2.gz	ZAIYUFWRIHVYHH-SCSAIBSYSA-N	-1	0	309.673	0.424	20	30		DCEDRM
C[C@@H](NC(=O)[C@H](CC#N)c1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001573552235	1163492262	/nfs/dbraw/zinc/49/22/62/1163492262.db2.gz	FHKMEMDJVFASLS-NTZNESFSSA-N	-1	0	317.345	0.778	20	30		DCEDRM
CN(Cc1cc(C#N)cs1)C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001573876837	1163574928	/nfs/dbraw/zinc/57/49/28/1163574928.db2.gz	UMPJSEABILLWHT-UHFFFAOYSA-N	-1	0	320.334	0.960	20	30		DCEDRM
Cc1cc(NC(=O)N2C[C@H](C(=O)[O-])C3(COC3)C2)ncc1C#N	ZINC001574141360	1163647127	/nfs/dbraw/zinc/64/71/27/1163647127.db2.gz	LDXIRFYAIRQXMM-LLVKDONJSA-N	-1	0	316.317	0.827	20	30		DCEDRM
Cc1cncn1CC(=O)Nc1c(C(=O)[O-])cnn1CCC#N	ZINC001574178802	1163652290	/nfs/dbraw/zinc/65/22/90/1163652290.db2.gz	DKPLBNGQLHSCES-UHFFFAOYSA-N	-1	0	302.294	0.639	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)c(F)c1	ZINC001574245290	1163672164	/nfs/dbraw/zinc/67/21/64/1163672164.db2.gz	KKMQUYSMBJAWFV-SKDRFNHKSA-N	-1	0	307.281	0.398	20	30		DCEDRM
N#Cc1ccnc(C(=O)N2CCC[C@H]2c2n[nH]nc2C(=O)[O-])c1	ZINC001574248555	1163673555	/nfs/dbraw/zinc/67/35/55/1163673555.db2.gz	KRUAPBUMPQYTDA-JTQLQIEISA-N	-1	0	312.289	0.747	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])nc1	ZINC001574249169	1163674544	/nfs/dbraw/zinc/67/45/44/1163674544.db2.gz	GGOMXOJVVIMSJG-MNOVXSKESA-N	-1	0	309.347	0.875	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001576162048	1164255743	/nfs/dbraw/zinc/25/57/43/1164255743.db2.gz	YMGPVQMNRGYHOT-LLVKDONJSA-N	-1	0	304.350	0.414	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001576536787	1164384980	/nfs/dbraw/zinc/38/49/80/1164384980.db2.gz	WDGORWRYUWIGDQ-LBPRGKRZSA-N	-1	0	318.377	0.948	20	30		DCEDRM
CC[C@@H](C)C[C@@H](CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001576642848	1164422108	/nfs/dbraw/zinc/42/21/08/1164422108.db2.gz	ZTGAIKQLUYXHRG-BDAKNGLRSA-N	-1	0	302.342	0.737	20	30		DCEDRM
CC[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)[C@@H](CC)CO1	ZINC001577178164	1164623705	/nfs/dbraw/zinc/62/37/05/1164623705.db2.gz	RJZZLXOHPZPENH-VHSXEESVSA-N	-1	0	314.353	0.922	20	30		DCEDRM
Cn1ncc(C2CC2)c1CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001581830472	1165882940	/nfs/dbraw/zinc/88/29/40/1165882940.db2.gz	YERSONMFJCVNOF-UHFFFAOYSA-N	-1	0	322.336	0.751	20	30		DCEDRM
N#Cc1ncc(N[C@H]2CCCC23OCCO3)nc1-c1nnn[n-]1	ZINC001581882871	1165902530	/nfs/dbraw/zinc/90/25/30/1165902530.db2.gz	KEZDHVFBEOIVBF-VIFPVBQESA-N	-1	0	314.309	0.236	20	30		DCEDRM
N#Cc1ncc(N2CCc3ccnc(N)c3C2)nc1-c1nnn[n-]1	ZINC001581882779	1165902806	/nfs/dbraw/zinc/90/28/06/1165902806.db2.gz	HDSRQGGVHUUDOH-UHFFFAOYSA-N	-1	0	320.320	0.068	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001582996164	1166163537	/nfs/dbraw/zinc/16/35/37/1166163537.db2.gz	HEYOPUKUSGTZLL-MEBBXXQBSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CN1C(=O)c2ccccc2S1(=O)=O	ZINC001583434666	1166254942	/nfs/dbraw/zinc/25/49/42/1166254942.db2.gz	CQOWGBMPMWTZTP-UHFFFAOYSA-N	-1	0	310.331	0.455	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc3[nH]ccc3n2)c(=O)[n-]c1=O	ZINC001585296441	1166415461	/nfs/dbraw/zinc/41/54/61/1166415461.db2.gz	UWDCOBYRMNMQTC-UHFFFAOYSA-N	-1	0	324.300	0.127	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2nc3ccccc3[nH]2)c(=O)[n-]c1=O	ZINC001587420771	1166506857	/nfs/dbraw/zinc/50/68/57/1166506857.db2.gz	AOZSWNNXEUOMOU-UHFFFAOYSA-N	-1	0	310.273	0.336	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001588330714	1166526401	/nfs/dbraw/zinc/52/64/01/1166526401.db2.gz	CYTZIMJXKNPBLH-NSHDSACASA-N	-1	0	315.333	0.731	20	30		DCEDRM
C#CCN(CC)c1nnc(-c2c[nH]nc2-c2nnn[n-]2)n1CC=C	ZINC001588350608	1166540549	/nfs/dbraw/zinc/54/05/49/1166540549.db2.gz	HNYWXMTWTRQXNV-UHFFFAOYSA-N	-1	0	324.352	0.494	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2O)C(=O)[O-]	ZINC001588414876	1166550944	/nfs/dbraw/zinc/55/09/44/1166550944.db2.gz	VBJWZTZJQUZWSU-NWDGAFQWSA-N	-1	0	304.302	0.363	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)N1CCOc2cc(C(=O)[O-])ccc2C1	ZINC001588479647	1166556645	/nfs/dbraw/zinc/55/66/45/1166556645.db2.gz	XTXDXRJYADTKKN-LLVKDONJSA-N	-1	0	302.330	0.717	20	30		DCEDRM
C#CCOCCC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588489633	1166556767	/nfs/dbraw/zinc/55/67/67/1166556767.db2.gz	IBBOKOGJJLNFAM-LLVKDONJSA-N	-1	0	306.322	0.180	20	30		DCEDRM
C=CCn1cc(C(=O)N2CCc3c2cccc3-c2nn[nH]n2)nn1	ZINC001588713586	1166581573	/nfs/dbraw/zinc/58/15/73/1166581573.db2.gz	NNBVFMSICMPCHM-UHFFFAOYSA-N	-1	0	322.332	0.847	20	30		DCEDRM
C=CCn1c(-c2c[nH]nc2-c2nnn[n-]2)nnc1N(C)C1CC1	ZINC001588700620	1166581646	/nfs/dbraw/zinc/58/16/46/1166581646.db2.gz	VGQIMFDEMSYPGA-UHFFFAOYSA-N	-1	0	312.341	0.633	20	30		DCEDRM
C=C[C@H](CO)NC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1	ZINC001588727411	1166582372	/nfs/dbraw/zinc/58/23/72/1166582372.db2.gz	AAJHLBFXLSQOTE-VHSXEESVSA-N	-1	0	303.322	0.297	20	30		DCEDRM
CC(C)(C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1ccccn1	ZINC001589059012	1166634132	/nfs/dbraw/zinc/63/41/32/1166634132.db2.gz	LATNFJHKLZMGQD-UHFFFAOYSA-N	-1	0	323.320	0.773	20	30		DCEDRM
CC1(C)C[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C(=O)O1	ZINC001590083928	1166770396	/nfs/dbraw/zinc/77/03/96/1166770396.db2.gz	PCUAVSMAULQNCY-LURJTMIESA-N	-1	0	300.282	0.034	20	30		DCEDRM
C[C@@H]1C[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)c2ncnn21	ZINC001590207873	1166816333	/nfs/dbraw/zinc/81/63/33/1166816333.db2.gz	BHKWKSGRJMBDES-RNFRBKRXSA-N	-1	0	309.297	0.238	20	30		DCEDRM
CC[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCS1	ZINC001590525018	1166933727	/nfs/dbraw/zinc/93/37/27/1166933727.db2.gz	TYHSURHVNCXFGX-MRVPVSSYSA-N	-1	0	302.367	0.860	20	30		DCEDRM
Cn1cc(C[C@H](CO)Nc2c(C#N)cccc2-c2nn[nH]n2)cn1	ZINC001592571515	1167566554	/nfs/dbraw/zinc/56/65/54/1167566554.db2.gz	ZYIXODLQHXENCX-GFCCVEGCSA-N	-1	0	324.348	0.487	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ncc(Cl)s2)[n-]c1-c1nn[nH]n1	ZINC001592681758	1167600602	/nfs/dbraw/zinc/60/06/02/1167600602.db2.gz	HXOGUQTTYCYYND-UHFFFAOYSA-N	-1	0	321.713	0.824	20	30		DCEDRM
N#Cc1ccc(C(=O)Cn2cccc(-c3nnn[n-]3)c2=O)cc1	ZINC001592690353	1167602404	/nfs/dbraw/zinc/60/24/04/1167602404.db2.gz	SYQCLKDJXNUBPX-UHFFFAOYSA-N	-1	0	306.285	0.783	20	30		DCEDRM
N#Cc1ncc(N2CC[C@H]([C@H]3CCOC3)C2)nc1-c1nnn[n-]1	ZINC001592708382	1167606760	/nfs/dbraw/zinc/60/67/60/1167606760.db2.gz	NLXPXDBFDGDPIQ-UWVGGRQHSA-N	-1	0	312.337	0.391	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001600076032	1168111790	/nfs/dbraw/zinc/11/17/90/1168111790.db2.gz	ISITYEBHYQOOEV-JQWIXIFHSA-N	-1	0	324.358	0.729	20	30		DCEDRM
Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H](CF)C(=O)[O-]	ZINC001600230696	1168141716	/nfs/dbraw/zinc/14/17/16/1168141716.db2.gz	XTQJBKPRXCAYQT-SECBINFHSA-N	-1	0	304.274	0.707	20	30		DCEDRM
Cc1cc(NC(=O)NCCn2cnc(C#N)n2)cc(C(=O)[O-])c1	ZINC001600269364	1168154170	/nfs/dbraw/zinc/15/41/70/1168154170.db2.gz	HPRNUCSNRUZWHZ-UHFFFAOYSA-N	-1	0	314.305	0.978	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@](C)(C#N)C1	ZINC001600362009	1168174069	/nfs/dbraw/zinc/17/40/69/1168174069.db2.gz	CFHZNYOSRQWCOB-CQSZACIVSA-N	-1	0	324.358	0.996	20	30		DCEDRM
Cc1ccc(NN=Cc2cn(C)c(=O)n(C)c2=O)cc1C(=O)[O-]	ZINC001600462568	1168188225	/nfs/dbraw/zinc/18/82/25/1168188225.db2.gz	DAWARDURUHUNBY-UHFFFAOYSA-N	-1	0	316.317	0.537	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c(F)c1F	ZINC001600475597	1168189455	/nfs/dbraw/zinc/18/94/55/1168189455.db2.gz	XHGNNRAXXQBDKI-UHFFFAOYSA-N	-1	0	304.274	0.872	20	30		DCEDRM
Cc1nc(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1C	ZINC001600718761	1168261449	/nfs/dbraw/zinc/26/14/49/1168261449.db2.gz	BNYXSRCRBCEOOY-UHFFFAOYSA-N	-1	0	312.351	0.108	20	30		DCEDRM
Cn1c(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1C(=O)[O-]	ZINC001600914228	1168506449	/nfs/dbraw/zinc/50/64/49/1168506449.db2.gz	DAVSHMKQAPJXHF-HZMBPMFUSA-N	-1	0	323.374	0.093	20	30		DCEDRM
Cn1c(N2CCO[C@@H](CC(=O)[O-])C2)nnc1C(C)(C)CC#N	ZINC001600919741	1168509717	/nfs/dbraw/zinc/50/97/17/1168509717.db2.gz	FRJBZNAPWYAAMA-JTQLQIEISA-N	-1	0	307.354	0.686	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)n1	ZINC001600927450	1168510185	/nfs/dbraw/zinc/51/01/85/1168510185.db2.gz	LCZHKDJPIMKFSW-CYBMUJFWSA-N	-1	0	307.310	0.437	20	30		DCEDRM
Cn1cc(CN2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1C(=O)[O-]	ZINC001600953710	1168530934	/nfs/dbraw/zinc/53/09/34/1168530934.db2.gz	WUMHUXRFXMGLFQ-RISCZKNCSA-N	-1	0	323.374	0.093	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)COCc2cccnc2)CC1	ZINC001601051322	1168577490	/nfs/dbraw/zinc/57/74/90/1168577490.db2.gz	KSPWDTAQKQHMKR-UHFFFAOYSA-N	-1	0	303.318	0.815	20	30		DCEDRM
N#CC1(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CCCCC1	ZINC001601056588	1168578034	/nfs/dbraw/zinc/57/80/34/1168578034.db2.gz	QBSKESLHGLIXQE-NWDGAFQWSA-N	-1	0	309.366	0.937	20	30		DCEDRM
N#CC1(NC(=O)COC(=O)c2ccnc(C(=O)[O-])c2)CCC1	ZINC001601057461	1168578124	/nfs/dbraw/zinc/57/81/24/1168578124.db2.gz	ZLKAVAUUFOQWDX-UHFFFAOYSA-N	-1	0	303.274	0.499	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(Cn2cc(-c3ccncn3)cn2)CC1	ZINC001601052882	1168578565	/nfs/dbraw/zinc/57/85/65/1168578565.db2.gz	YQGDPHCQQPQVSR-UHFFFAOYSA-N	-1	0	312.333	0.988	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1	ZINC001601058407	1168578942	/nfs/dbraw/zinc/57/89/42/1168578942.db2.gz	SEQYUVVBUNVYFD-ONERCXAPSA-N	-1	0	323.324	0.306	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)CCO1	ZINC001601061438	1168579013	/nfs/dbraw/zinc/57/90/13/1168579013.db2.gz	ZUKAKODAEFSYSH-WWGRRREGSA-N	-1	0	300.314	0.996	20	30		DCEDRM
N#CCCN1CCN(CC(=O)Nc2ccsc2C(=O)[O-])CC1	ZINC001601067986	1168580320	/nfs/dbraw/zinc/58/03/20/1168580320.db2.gz	YSVIYQUCQQJLGX-UHFFFAOYSA-N	-1	0	322.390	0.916	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cccc(-n2cncn2)n1	ZINC001601071653	1168580874	/nfs/dbraw/zinc/58/08/74/1168580874.db2.gz	CDMNLFVEZRUOFN-UHFFFAOYSA-N	-1	0	300.278	0.103	20	30		DCEDRM
N#CCN(CCC(=O)[O-])CC(=O)NCCOc1ccc(F)cc1	ZINC001601072354	1168581887	/nfs/dbraw/zinc/58/18/87/1168581887.db2.gz	HHGIARVDEHCNDP-UHFFFAOYSA-N	-1	0	323.324	0.621	20	30		DCEDRM
N#CCSCC(=O)N1CC(=O)Nc2cc(C(=O)[O-])ccc21	ZINC001601076690	1168582220	/nfs/dbraw/zinc/58/22/20/1168582220.db2.gz	XXJUCEXHQKOMKB-UHFFFAOYSA-N	-1	0	305.315	0.927	20	30		DCEDRM
N#CCN1CCN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)CC1	ZINC001601074534	1168582648	/nfs/dbraw/zinc/58/26/48/1168582648.db2.gz	CYISDEVEHLZJGP-UHFFFAOYSA-N	-1	0	315.395	0.102	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C(=O)[O-])s2)C1	ZINC001601079800	1168582937	/nfs/dbraw/zinc/58/29/37/1168582937.db2.gz	SIXYUABSWXUARM-DTWKUNHWSA-N	-1	0	321.358	0.871	20	30		DCEDRM
N#CCn1cc(NC(=O)C(=O)Nc2ccsc2C(=O)[O-])cn1	ZINC001601079244	1168583216	/nfs/dbraw/zinc/58/32/16/1168583216.db2.gz	RXIIFPIEYWNKOD-UHFFFAOYSA-N	-1	0	319.302	0.744	20	30		DCEDRM
N#Cc1c2c(cn(CN3CC[C@@](F)(C(=O)[O-])C3)c1=O)CCC2	ZINC001601084064	1168583683	/nfs/dbraw/zinc/58/36/83/1168583683.db2.gz	GGXKSEPIIBAEED-HNNXBMFYSA-N	-1	0	305.309	0.665	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1O	ZINC001601093269	1168583916	/nfs/dbraw/zinc/58/39/16/1168583916.db2.gz	ZFMJIXWPYIFIDZ-ZDUSSCGKSA-N	-1	0	304.302	0.562	20	30		DCEDRM
N#Cc1ccc(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)[nH]1	ZINC001601094058	1168584017	/nfs/dbraw/zinc/58/40/17/1168584017.db2.gz	FUQRWKDSFAGREL-LLVKDONJSA-N	-1	0	305.290	0.509	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)ccc1F	ZINC001601090040	1168584124	/nfs/dbraw/zinc/58/41/24/1168584124.db2.gz	GFUYFPLQBXONRJ-JTQLQIEISA-N	-1	0	317.276	0.925	20	30		DCEDRM
N#Cc1ccc([C@@H](NCc2nnnn2CC2CC2)C(=O)[O-])cc1	ZINC001601096947	1168584722	/nfs/dbraw/zinc/58/47/22/1168584722.db2.gz	QSGSAYZSQHCVRF-CQSZACIVSA-N	-1	0	312.333	0.870	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cc1	ZINC001601096806	1168584814	/nfs/dbraw/zinc/58/48/14/1168584814.db2.gz	MUNNFNUJSSGDRQ-WDEREUQCSA-N	-1	0	310.256	0.912	20	30		DCEDRM
N#Cc1ccc(CCN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])cc1	ZINC001601097499	1168584817	/nfs/dbraw/zinc/58/48/17/1168584817.db2.gz	GFMOAZKHXKFWEI-CQSZACIVSA-N	-1	0	322.386	0.674	20	30		DCEDRM
N#Cc1ccc(NC(=O)NCCC(=O)NCCC(=O)[O-])cc1F	ZINC001601107414	1168586047	/nfs/dbraw/zinc/58/60/47/1168586047.db2.gz	LNSOYLPJSUKPRS-UHFFFAOYSA-N	-1	0	322.296	0.800	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N[C@H](Cn2ccnc2)C(=O)[O-])cc1	ZINC001601110072	1168586071	/nfs/dbraw/zinc/58/60/71/1168586071.db2.gz	GMFIXNXQTXBAED-CYBMUJFWSA-N	-1	0	314.301	0.403	20	30		DCEDRM
N#Cc1ccc(NC(=O)CN2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1	ZINC001601106914	1168586349	/nfs/dbraw/zinc/58/63/49/1168586349.db2.gz	JQZWXCPMZZYHPX-OCCSQVGLSA-N	-1	0	303.318	0.407	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)nc1	ZINC001601108908	1168586510	/nfs/dbraw/zinc/58/65/10/1168586510.db2.gz	YKGBKBUYGKPEJH-OAHLLOKOSA-N	-1	0	318.333	0.505	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(C[N@H+]1CCC[C@@H]3C[C@@]31C(=O)[O-])cc2=O	ZINC001601130493	1168591409	/nfs/dbraw/zinc/59/14/09/1168591409.db2.gz	HBVSYVIYBIMOKN-BMIGLBTASA-N	-1	0	313.317	0.746	20	30		DCEDRM
N#Cc1cnn(-c2ccc(C(=O)N3CC(C(=O)[O-])C3)cc2)c1N	ZINC001601131494	1168591583	/nfs/dbraw/zinc/59/15/83/1168591583.db2.gz	BVEYXWOHWQDETK-UHFFFAOYSA-N	-1	0	311.301	0.483	20	30		DCEDRM
N#Cc1csc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1	ZINC001601132145	1168592885	/nfs/dbraw/zinc/59/28/85/1168592885.db2.gz	IDHORPPWELSPCE-AWEZNQCLSA-N	-1	0	322.390	0.376	20	30		DCEDRM
O=C([O-])[C@H]1CCCN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC001602212541	1169031706	/nfs/dbraw/zinc/03/17/06/1169031706.db2.gz	TUQNGHSLSREARU-CQSZACIVSA-N	-1	0	312.325	0.835	20	30		DCEDRM
O=C([O-])[C@]1(C(=O)N[C@@H]2CCN(O)C2=O)C[C@H]1c1ccccc1	ZINC001602630692	1169135424	/nfs/dbraw/zinc/13/54/24/1169135424.db2.gz	ALVKONJPKJTRML-FIXISWKDSA-N	-1	0	304.302	0.351	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)[C@@H]1CCCO1	ZINC001602678576	1169157215	/nfs/dbraw/zinc/15/72/15/1169157215.db2.gz	NMLSFZMNEKAAQI-QWRGUYRKSA-N	-1	0	313.331	0.745	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)Nc1scc(C)c1C(=O)[O-]	ZINC001602682777	1169158297	/nfs/dbraw/zinc/15/82/97/1169158297.db2.gz	FYCJMLVNLFAGBL-SECBINFHSA-N	-1	0	324.358	0.848	20	30		DCEDRM
C#CC[C@H](COC)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC001602684993	1169158671	/nfs/dbraw/zinc/15/86/71/1169158671.db2.gz	LCPXNIZPUHUPPC-GFCCVEGCSA-N	-1	0	311.359	0.630	20	30		DCEDRM
C#CC[C@H](NC(=O)CCCN(C)C(=O)c1ccncc1)C(=O)[O-]	ZINC001602687079	1169158726	/nfs/dbraw/zinc/15/87/26/1169158726.db2.gz	HJLZYMOVFYACOH-ZDUSSCGKSA-N	-1	0	317.345	0.527	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC001602690783	1169160772	/nfs/dbraw/zinc/16/07/72/1169160772.db2.gz	ZYZVGWUJPCRTTI-SSDOTTSWSA-N	-1	0	318.362	0.783	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001602701288	1169164222	/nfs/dbraw/zinc/16/42/22/1169164222.db2.gz	DVFZPTVEICHYNI-JTQLQIEISA-N	-1	0	322.292	0.353	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001602701342	1169166433	/nfs/dbraw/zinc/16/64/33/1169166433.db2.gz	GMRVOGVWCKONHM-SSDOTTSWSA-N	-1	0	321.738	0.684	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001602701505	1169166452	/nfs/dbraw/zinc/16/64/52/1169166452.db2.gz	LXKCWZBEJBEUQK-LBPRGKRZSA-N	-1	0	317.407	0.715	20	30		DCEDRM
C#CCN(C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)C1CSC1	ZINC001602716600	1169167384	/nfs/dbraw/zinc/16/73/84/1169167384.db2.gz	IVWKJWWFVFSQQN-UHFFFAOYSA-N	-1	0	315.358	0.763	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1	ZINC001602721113	1169169366	/nfs/dbraw/zinc/16/93/66/1169169366.db2.gz	WGLXQGZMYBOIAV-VBQJREDUSA-N	-1	0	319.405	0.980	20	30		DCEDRM
C#CCN1CCOC2(CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)C1	ZINC001602720047	1169170671	/nfs/dbraw/zinc/17/06/71/1169170671.db2.gz	JGEDBHKWOQXLBO-STQMWFEESA-N	-1	0	306.362	0.034	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1	ZINC001602742112	1169175984	/nfs/dbraw/zinc/17/59/84/1169175984.db2.gz	DTTCXTCDLOEDCU-STQMWFEESA-N	-1	0	316.313	0.043	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N[C@@H](CC1OCCO1)C(=O)[O-])OCC	ZINC001602747535	1169177830	/nfs/dbraw/zinc/17/78/30/1169177830.db2.gz	UQXFIGAKKZKCBT-QWRGUYRKSA-N	-1	0	301.339	0.690	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1	ZINC001602745039	1169178381	/nfs/dbraw/zinc/17/83/81/1169178381.db2.gz	ZEGJXGULYLFZEO-JTQLQIEISA-N	-1	0	322.365	0.088	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1)OCC	ZINC001602744651	1169178384	/nfs/dbraw/zinc/17/83/84/1169178384.db2.gz	IAVAYIOIGFDOEM-TUAOUCFPSA-N	-1	0	313.350	0.690	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CCN1C(=O)CCNC1=S)C(=O)[O-]	ZINC001602749897	1169179479	/nfs/dbraw/zinc/17/94/79/1169179479.db2.gz	JYNCJQSRHNIKGK-SECBINFHSA-N	-1	0	313.379	0.019	20	30		DCEDRM
C=C(C)CN1CC(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)C1	ZINC001602762043	1169181017	/nfs/dbraw/zinc/18/10/17/1169181017.db2.gz	OMKTYILFJKUGSI-KBPBESRZSA-N	-1	0	307.394	0.112	20	30		DCEDRM
C=C(C)CN1CC(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)C1	ZINC001602762044	1169181218	/nfs/dbraw/zinc/18/12/18/1169181218.db2.gz	OMKTYILFJKUGSI-KGLIPLIRSA-N	-1	0	307.394	0.112	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1[C@@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001602764873	1169181447	/nfs/dbraw/zinc/18/14/47/1169181447.db2.gz	VMDJZPWZVSVJCN-WISYIIOYSA-N	-1	0	303.380	0.987	20	30		DCEDRM
C=C(Cl)C[C@H](Nc1ccnc(-c2nnn[n-]2)n1)C(=O)OCC	ZINC001602767402	1169181659	/nfs/dbraw/zinc/18/16/59/1169181659.db2.gz	FJOPVZDXRCTPCR-QMMMGPOBSA-N	-1	0	323.744	0.565	20	30		DCEDRM
C=C[C@H](O)C(=O)O[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001602821301	1169188435	/nfs/dbraw/zinc/18/84/35/1169188435.db2.gz	ZHMXWKIWFFHOFD-DTWKUNHWSA-N	-1	0	311.315	0.642	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001602833971	1169190686	/nfs/dbraw/zinc/19/06/86/1169190686.db2.gz	YLVTVUJQKCHTIX-SECBINFHSA-N	-1	0	318.337	0.333	20	30		DCEDRM
C=CCNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C	ZINC001602862351	1169193893	/nfs/dbraw/zinc/19/38/93/1169193893.db2.gz	BUTYESPNCYKYTD-UHFFFAOYSA-N	-1	0	317.353	0.664	20	30		DCEDRM
C=CCCC(=O)[C@H]1CCCN1C(=O)Cn1cc(C(=O)[O-])nn1	ZINC001602855838	1169194220	/nfs/dbraw/zinc/19/42/20/1169194220.db2.gz	FIAMZSYGACLGMS-LLVKDONJSA-N	-1	0	306.322	0.503	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001602881127	1169198732	/nfs/dbraw/zinc/19/87/32/1169198732.db2.gz	JKCDQAYMOKMNSW-WOPDTQHZSA-N	-1	0	313.350	0.832	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)C(=O)[O-]	ZINC001602910482	1169202625	/nfs/dbraw/zinc/20/26/25/1169202625.db2.gz	ZDMYYTPATYDIMK-OLZOCXBDSA-N	-1	0	318.329	0.633	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)C(=O)OC	ZINC001602909118	1169202697	/nfs/dbraw/zinc/20/26/97/1169202697.db2.gz	OFTLWYHPGXDNQG-SNVBAGLBSA-N	-1	0	324.333	0.804	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1csc(C(=O)[O-])n1)C(=O)OC	ZINC001602913480	1169204133	/nfs/dbraw/zinc/20/41/33/1169204133.db2.gz	RTRGGYUPFXWFTH-ZETCQYMHSA-N	-1	0	314.319	0.315	20	30		DCEDRM
C=CCn1c([C@@H](O)C=C)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001602933548	1169211301	/nfs/dbraw/zinc/21/13/01/1169211301.db2.gz	ZAVXDPGQFKXRJB-QWRGUYRKSA-N	-1	0	308.338	0.363	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001602944586	1169217158	/nfs/dbraw/zinc/21/71/58/1169217158.db2.gz	CJAFDBISJYNOCA-USZNOCQGSA-N	-1	0	303.380	0.893	20	30		DCEDRM
CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC2COCCOC2)o1	ZINC001603122485	1169249334	/nfs/dbraw/zinc/24/93/34/1169249334.db2.gz	MRDLYJDBCZUYBW-UHFFFAOYSA-N	-1	0	321.341	0.967	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@@H](CN(C)c2ccnc(C(=O)[O-])n2)C1	ZINC001603129924	1169251076	/nfs/dbraw/zinc/25/10/76/1169251076.db2.gz	PHOVWGGQBYIDLZ-MNOVXSKESA-N	-1	0	317.349	0.619	20	30		DCEDRM
C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1)n1cnc(C#N)n1	ZINC001603153657	1169258113	/nfs/dbraw/zinc/25/81/13/1169258113.db2.gz	ODNNPMPQQJMJPL-QPUJVOFHSA-N	-1	0	315.289	0.358	20	30		DCEDRM
C[C@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)[C@H]1CCCO1	ZINC001603448873	1169306100	/nfs/dbraw/zinc/30/61/00/1169306100.db2.gz	KXIDDSUQQOFNPS-VXNVDRBHSA-N	-1	0	316.325	0.605	20	30		DCEDRM
C[C@@]1(C2CC2)CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCO1	ZINC001603798383	1169395406	/nfs/dbraw/zinc/39/54/06/1169395406.db2.gz	WVYITGKZDLWCFY-AWEZNQCLSA-N	-1	0	312.337	0.534	20	30		DCEDRM
CC[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@@H](C)O1	ZINC001604112706	1169495714	/nfs/dbraw/zinc/49/57/14/1169495714.db2.gz	YWLWVMIVYVZJJP-RKDXNWHRSA-N	-1	0	300.326	0.532	20	30		DCEDRM
CCN(CC)C(=O)OCn1c(C)nc(-c2nnn[n-]2)c1C#N	ZINC001604282702	1169546803	/nfs/dbraw/zinc/54/68/03/1169546803.db2.gz	VDVUPGXZJLMJMQ-UHFFFAOYSA-N	-1	0	304.314	0.679	20	30		DCEDRM
C[C@@H](OC(=O)c1cnccc1C(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001604416714	1169587979	/nfs/dbraw/zinc/58/79/79/1169587979.db2.gz	CJFSIVLTVJHFOY-SECBINFHSA-N	-1	0	317.301	0.888	20	30		DCEDRM
CCn1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1C	ZINC001604608213	1169629711	/nfs/dbraw/zinc/62/97/11/1169629711.db2.gz	BHHXOWIMLUTYGO-UHFFFAOYSA-N	-1	0	311.309	0.844	20	30		DCEDRM
C[C@@H]1CN(CCn2cc(C(=O)[O-])cc(C#N)c2=O)C[C@H](C)O1	ZINC001604796785	1169689607	/nfs/dbraw/zinc/68/96/07/1169689607.db2.gz	DTPIVDDTKCUSHX-PHIMTYICSA-N	-1	0	305.334	0.527	20	30		DCEDRM
CC[C@H](CNC(=O)C#CC1CC1)Nc1ccnc(C(=O)[O-])n1	ZINC001605023355	1169785204	/nfs/dbraw/zinc/78/52/04/1169785204.db2.gz	JVINJLDQFSTZSI-LLVKDONJSA-N	-1	0	302.334	0.317	20	30		DCEDRM
COCC1(C2CC2)CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001605066799	1169803827	/nfs/dbraw/zinc/80/38/27/1169803827.db2.gz	OSYYWTYVTDQWTI-UHFFFAOYSA-N	-1	0	312.337	0.391	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1snc(C)c1C#N	ZINC001605448720	1169924204	/nfs/dbraw/zinc/92/42/04/1169924204.db2.gz	GZDFETGDHVXEQG-ZJUUUORDSA-N	-1	0	322.390	0.986	20	30		DCEDRM
Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CC(C)(C#N)C1	ZINC001605801549	1170005083	/nfs/dbraw/zinc/00/50/83/1170005083.db2.gz	DMDRTHSFOIQAQP-UHFFFAOYSA-N	-1	0	318.362	0.709	20	30		DCEDRM
CCc1nc(C#N)cc(NCCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1	ZINC001605844483	1170011625	/nfs/dbraw/zinc/01/16/25/1170011625.db2.gz	ISTVPQSZGKLOJZ-MNOVXSKESA-N	-1	0	317.349	0.550	20	30		DCEDRM
CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CCN(C(=O)C#CC2CC2)CC1	ZINC001605957539	1170036185	/nfs/dbraw/zinc/03/61/85/1170036185.db2.gz	SIRHNAMKVHLQMC-KBPBESRZSA-N	-1	0	318.373	0.570	20	30		DCEDRM
CN(CCCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001606121866	1170082775	/nfs/dbraw/zinc/08/27/75/1170082775.db2.gz	UJPGVFLUMGEMDG-WDEREUQCSA-N	-1	0	317.349	0.354	20	30		DCEDRM
CN1C[C@H](C(=O)[O-])N(Cc2cc(Cl)cc(C#N)c2)CC1=O	ZINC001606203344	1170111606	/nfs/dbraw/zinc/11/16/06/1170111606.db2.gz	LAFQDGAFMHZZLW-GFCCVEGCSA-N	-1	0	307.737	0.939	20	30		DCEDRM
CNC(=O)NCCC(=O)OCC#Cc1cccc(C(=O)[O-])c1	ZINC001606280916	1170147674	/nfs/dbraw/zinc/14/76/74/1170147674.db2.gz	MGUDREYJBGGFKI-UHFFFAOYSA-N	-1	0	304.302	0.599	20	30		DCEDRM
COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001606341549	1170163623	/nfs/dbraw/zinc/16/36/23/1170163623.db2.gz	JYTMFLPZKYARLA-IHRRRGAJSA-N	-1	0	318.329	0.540	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(C#N)cn2C)C1	ZINC001606391405	1170178901	/nfs/dbraw/zinc/17/89/01/1170178901.db2.gz	HMCWNVYYVTUQOD-MNOVXSKESA-N	-1	0	319.317	0.375	20	30		DCEDRM
N#Cc1ncc(N2CC(Cc3ccco3)C2)nc1-c1nnn[n-]1	ZINC001606397767	1170183636	/nfs/dbraw/zinc/18/36/36/1170183636.db2.gz	ZSQFOCFSWSGHCW-UHFFFAOYSA-N	-1	0	308.305	0.800	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2cc(C#N)cs2)C[C@@H]1C(=O)[O-]	ZINC001606420560	1170193978	/nfs/dbraw/zinc/19/39/78/1170193978.db2.gz	IPZXDJQYIWJCCO-DTWKUNHWSA-N	-1	0	308.315	0.566	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2cccc(CC#N)c2)C[C@H]1C(=O)[O-]	ZINC001606427133	1170197068	/nfs/dbraw/zinc/19/70/68/1170197068.db2.gz	WBXPETCZHKBHCM-CHWSQXEVSA-N	-1	0	316.313	0.698	20	30		DCEDRM
COCC[C@H](COC)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001606856983	1170315179	/nfs/dbraw/zinc/31/51/79/1170315179.db2.gz	YPQZKTLGXVDFPU-LLVKDONJSA-N	-1	0	313.354	0.438	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001606884846	1170322300	/nfs/dbraw/zinc/32/23/00/1170322300.db2.gz	RYGMBBHTOXMPCV-UHFFFAOYSA-N	-1	0	304.368	0.433	20	30		DCEDRM
COc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c(F)c1	ZINC001607284645	1170422343	/nfs/dbraw/zinc/42/23/43/1170422343.db2.gz	KOLUZIJLOBOWBF-UHFFFAOYSA-N	-1	0	302.283	0.433	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC(CC#N)CC2)C[C@H]1CC(=O)[O-]	ZINC001607429236	1170450622	/nfs/dbraw/zinc/45/06/22/1170450622.db2.gz	YGKCJYNZAMAPGO-DGCLKSJQSA-N	-1	0	321.377	0.708	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001607484432	1170466286	/nfs/dbraw/zinc/46/62/86/1170466286.db2.gz	KBHYYHANTIAPED-SNVBAGLBSA-N	-1	0	314.305	0.572	20	30		DCEDRM
Cc1c(C(=O)Nc2ccn(CC(=O)[O-])n2)cnn1CCC#N	ZINC001607510235	1170471057	/nfs/dbraw/zinc/47/10/57/1170471057.db2.gz	BTGKDZUDYPHMHZ-UHFFFAOYSA-N	-1	0	302.294	0.639	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-]	ZINC001607565318	1170477731	/nfs/dbraw/zinc/47/77/31/1170477731.db2.gz	FVYPORWWNWXKTN-GFCCVEGCSA-N	-1	0	301.302	0.234	20	30		DCEDRM
Cc1cc(C#N)nc(N(C)CCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1	ZINC001607565772	1170478013	/nfs/dbraw/zinc/47/80/13/1170478013.db2.gz	GURHFJFTFMIEQN-RYUDHWBXSA-N	-1	0	317.349	0.320	20	30		DCEDRM
Cc1cc(C#N)nc(NCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])n1	ZINC001607566345	1170478057	/nfs/dbraw/zinc/47/80/57/1170478057.db2.gz	UFRKJLSEGCMXMR-WDEREUQCSA-N	-1	0	303.322	0.248	20	30		DCEDRM
Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N[C@@H](C)CC#N	ZINC001607701620	1170496859	/nfs/dbraw/zinc/49/68/59/1170496859.db2.gz	PNLXFJCEPXBQBK-JTQLQIEISA-N	-1	0	319.317	0.815	20	30		DCEDRM
Cc1[nH]nc(S(=O)(=O)N2CC[C@](F)(C#N)C2)c1C(=O)[O-]	ZINC001607937766	1170529337	/nfs/dbraw/zinc/52/93/37/1170529337.db2.gz	XIZMVHMYZWKTSC-JTQLQIEISA-N	-1	0	302.287	0.043	20	30		DCEDRM
Cn1ccc(-c2cc(C(=O)N(CC#N)CCC(=O)[O-])no2)n1	ZINC001608122826	1170581108	/nfs/dbraw/zinc/58/11/08/1170581108.db2.gz	DWYZWDVMQREIMG-UHFFFAOYSA-N	-1	0	303.278	0.516	20	30		DCEDRM
N#C[C@]1(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])CCCOC1	ZINC001608172672	1170609572	/nfs/dbraw/zinc/60/95/72/1170609572.db2.gz	ZVLMYQIIIAZAST-GXFFZTMASA-N	-1	0	309.347	0.575	20	30		DCEDRM
N#C[C@@H]1C[C@@H]1c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1CC1CC1	ZINC001608179577	1170610552	/nfs/dbraw/zinc/61/05/52/1170610552.db2.gz	XPEDSEIEWHHUPB-SRVKXCTJSA-N	-1	0	317.349	0.605	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)Nc2cccc(C(=O)[O-])n2)CCN1C1CC1	ZINC001608178698	1170610822	/nfs/dbraw/zinc/61/08/22/1170610822.db2.gz	ADTSUFRDDPIBDY-LLVKDONJSA-N	-1	0	315.333	0.984	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(Br)c[nH]c1=O	ZINC001608183746	1170611846	/nfs/dbraw/zinc/61/18/46/1170611846.db2.gz	HPNIWXVULPYFRL-UHFFFAOYSA-N	-1	0	314.095	0.600	20	30		DCEDRM
N#C[C@@]12CN(Cc3occc3C(=O)[O-])C[C@H]1CS(=O)(=O)C2	ZINC001608190090	1170612382	/nfs/dbraw/zinc/61/23/82/1170612382.db2.gz	GRMYHGUPVBLBJJ-ZANVPECISA-N	-1	0	310.331	0.348	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1	ZINC001608188921	1170612905	/nfs/dbraw/zinc/61/29/05/1170612905.db2.gz	QCAAPUFBAKLPKA-OLZOCXBDSA-N	-1	0	318.329	0.425	20	30		DCEDRM
N#Cc1c(N)n[nH]c1CCCNc1cc(CC(=O)[O-])ccn1	ZINC001608192200	1170613519	/nfs/dbraw/zinc/61/35/19/1170613519.db2.gz	WLAANSJCGOCRME-UHFFFAOYSA-N	-1	0	300.322	0.930	20	30		DCEDRM
N#Cc1ccc(F)cc1CN1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001608207348	1170615737	/nfs/dbraw/zinc/61/57/37/1170615737.db2.gz	ZTBXMJBXXDARRK-ZDUSSCGKSA-N	-1	0	305.309	0.863	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)NC[C@H](CC2CC2)C(=O)[O-])n1	ZINC001608217139	1170617174	/nfs/dbraw/zinc/61/71/74/1170617174.db2.gz	NODFOYUSGAKQDT-JTQLQIEISA-N	-1	0	316.317	0.509	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCCC2)n1	ZINC001608217248	1170617403	/nfs/dbraw/zinc/61/74/03/1170617403.db2.gz	UBNRMLQIYFLHIB-UHFFFAOYSA-N	-1	0	316.317	0.653	20	30		DCEDRM
N#Cc1cccc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c1	ZINC001608217649	1170617565	/nfs/dbraw/zinc/61/75/65/1170617565.db2.gz	NAQVITJALMPPAE-CABCVRRESA-N	-1	0	313.357	0.923	20	30		DCEDRM
N#Cc1cnccc1N1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001608223136	1170619293	/nfs/dbraw/zinc/61/92/93/1170619293.db2.gz	VDYMGBMKPWZNTL-CHWSQXEVSA-N	-1	0	314.345	0.713	20	30		DCEDRM
N#Cc1cnccc1N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001608223111	1170619671	/nfs/dbraw/zinc/61/96/71/1170619671.db2.gz	TUEQZYZBMIHERI-RYDUCSDGSA-N	-1	0	314.345	0.403	20	30		DCEDRM
O=C([O-])c1cnc(N2CCC(NC(=O)C#CC3CC3)CC2)nc1	ZINC001608277891	1170640693	/nfs/dbraw/zinc/64/06/93/1170640693.db2.gz	VOEKLHRIVVDLAQ-UHFFFAOYSA-N	-1	0	314.345	0.673	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001609019082	1170785375	/nfs/dbraw/zinc/78/53/75/1170785375.db2.gz	MTGQUNYPQMQTQI-QMMMGPOBSA-N	-1	0	316.296	0.424	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CSCN1C(=O)[C@@H](C)CC)C(=O)[O-]	ZINC001609075971	1170800519	/nfs/dbraw/zinc/80/05/19/1170800519.db2.gz	AAYURHKXMPPVEU-DCAQKATOSA-N	-1	0	312.391	0.527	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@H](C)CC)C(=O)[O-]	ZINC001609075973	1170800587	/nfs/dbraw/zinc/80/05/87/1170800587.db2.gz	AAYURHKXMPPVEU-OUAUKWLOSA-N	-1	0	312.391	0.527	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O)C(=O)[O-]	ZINC001609076785	1170801251	/nfs/dbraw/zinc/80/12/51/1170801251.db2.gz	XZAWZBHJDLYPSC-RWMBFGLXSA-N	-1	0	301.298	0.884	20	30		DCEDRM
C#CCCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001609106602	1170811421	/nfs/dbraw/zinc/81/14/21/1170811421.db2.gz	BIWDRYCLPNBXHG-UHFFFAOYSA-N	-1	0	304.302	0.862	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001609106584	1170812657	/nfs/dbraw/zinc/81/26/57/1170812657.db2.gz	AIHGKCWYDYAFOX-UHFFFAOYSA-N	-1	0	304.258	0.192	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1	ZINC001609162110	1170834080	/nfs/dbraw/zinc/83/40/80/1170834080.db2.gz	FNUWFSXZPXODOT-JTQLQIEISA-N	-1	0	314.301	0.942	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1	ZINC001609162109	1170834203	/nfs/dbraw/zinc/83/42/03/1170834203.db2.gz	FMKJTZUVLDDJQC-VIFPVBQESA-N	-1	0	301.302	0.916	20	30		DCEDRM
C=CCN(C(=O)c1c[nH]c(C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC001609346017	1170947990	/nfs/dbraw/zinc/94/79/90/1170947990.db2.gz	XEWVCVXZJJIZBM-JTQLQIEISA-N	-1	0	312.347	0.528	20	30		DCEDRM
C=CCN(C)S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)[O-]	ZINC001609356894	1170949434	/nfs/dbraw/zinc/94/94/34/1170949434.db2.gz	QQOMDCMFKSZILK-UHFFFAOYSA-N	-1	0	313.331	0.978	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2nnc(C)n2c1)C(=O)[O-]	ZINC001609443259	1170978189	/nfs/dbraw/zinc/97/81/89/1170978189.db2.gz	XCYGVHUIBXXKPO-LLVKDONJSA-N	-1	0	304.306	0.423	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001609489322	1170995428	/nfs/dbraw/zinc/99/54/28/1170995428.db2.gz	ZGBMIXHWGXUVQR-GFCCVEGCSA-N	-1	0	318.329	0.143	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1C[C@H]1CC2(CCC2)C(=O)O1	ZINC001609496333	1170997754	/nfs/dbraw/zinc/99/77/54/1170997754.db2.gz	FUBAZLVPWGXSRM-SSDOTTSWSA-N	-1	0	314.309	0.003	20	30		DCEDRM
C[C@H](NC(=O)Cn1cnc(C#N)n1)c1ncc(C(=O)[O-])s1	ZINC001609765314	1171079975	/nfs/dbraw/zinc/07/99/75/1171079975.db2.gz	ZHIJPYMSPBAXIB-LURJTMIESA-N	-1	0	306.307	0.182	20	30		DCEDRM
C[C@@]1(CCC(=O)[O-])NC(=O)N(CN(CC#N)C2CCCC2)C1=O	ZINC001609821438	1171094826	/nfs/dbraw/zinc/09/48/26/1171094826.db2.gz	HAEGPQWDPZKZFR-HNNXBMFYSA-N	-1	0	322.365	0.887	20	30		DCEDRM
CC[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC)C(=O)[O-]	ZINC001609918367	1171121600	/nfs/dbraw/zinc/12/16/00/1171121600.db2.gz	DWKNTNFRRMUWHY-SNVBAGLBSA-N	-1	0	319.317	0.732	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(CC)C[C@H](C)C#N	ZINC001610032153	1171143899	/nfs/dbraw/zinc/14/38/99/1171143899.db2.gz	AGVZMPFBQHEBSF-GHMZBOCLSA-N	-1	0	321.399	0.134	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CN1CCSC[C@H]1C#N	ZINC001610198016	1171195777	/nfs/dbraw/zinc/19/57/77/1171195777.db2.gz	ICRCWQYIIFRIDQ-MRVPVSSYSA-N	-1	0	310.335	0.266	20	30		DCEDRM
CS(=O)(=O)[C@H]1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC001610373352	1171226125	/nfs/dbraw/zinc/22/61/25/1171226125.db2.gz	SRNRAPGCCZLJAF-STQMWFEESA-N	-1	0	308.359	0.803	20	30		DCEDRM
CS(=O)(=O)[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC001610373350	1171226522	/nfs/dbraw/zinc/22/65/22/1171226522.db2.gz	SRNRAPGCCZLJAF-OLZOCXBDSA-N	-1	0	308.359	0.803	20	30		DCEDRM
Cc1nc(NC(=O)[C@H](C)n2cnc(C#N)n2)sc1C(=O)[O-]	ZINC001610557482	1171252765	/nfs/dbraw/zinc/25/27/65/1171252765.db2.gz	BCWNOPDFRSWNQS-LURJTMIESA-N	-1	0	306.307	0.813	20	30		DCEDRM
Cc1[nH]nc(S(=O)(=O)N(C)C2(C#N)CCCC2)c1C(=O)[O-]	ZINC001610550962	1171253305	/nfs/dbraw/zinc/25/33/05/1171253305.db2.gz	PSANKBXADGHZIW-UHFFFAOYSA-N	-1	0	312.351	0.873	20	30		DCEDRM
Cn1cc(C=NNc2ccccc2S(N)(=O)=O)cc1C(=O)[O-]	ZINC001610601410	1171263393	/nfs/dbraw/zinc/26/33/93/1171263393.db2.gz	MHZMHMXZDRYXII-UHFFFAOYSA-N	-1	0	322.346	0.817	20	30		DCEDRM
N#CC1(CNC(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)CC1	ZINC001610619640	1171270774	/nfs/dbraw/zinc/27/07/74/1171270774.db2.gz	NJUYVLBOQFPLPX-UHFFFAOYSA-N	-1	0	318.337	0.627	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)NCCn2cc(C(=O)[O-])nn2)c(F)c1	ZINC001610626417	1171272336	/nfs/dbraw/zinc/27/23/36/1171272336.db2.gz	SWUYAXRLGTZRJH-UHFFFAOYSA-N	-1	0	321.243	0.556	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCSC[C@@H](C(=O)[O-])C2)cc1	ZINC001610627212	1171272602	/nfs/dbraw/zinc/27/26/02/1171272602.db2.gz	BUHGRXAKYBAVAW-QWHCGFSZSA-N	-1	0	320.370	0.868	20	30		DCEDRM
O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)C#Cc1cccs1	ZINC001610782090	1171323734	/nfs/dbraw/zinc/32/37/34/1171323734.db2.gz	WHFJCIGBQGEBJD-LLVKDONJSA-N	-1	0	306.343	0.291	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccn(-c3ccccc3)n2)c(C#N)c1=O	ZINC001611896305	1171358641	/nfs/dbraw/zinc/35/86/41/1171358641.db2.gz	WAJRVKKITCSGIY-UHFFFAOYSA-N	-1	0	322.328	0.743	20	30		DCEDRM
C#CCOc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001612396234	1171362178	/nfs/dbraw/zinc/36/21/78/1171362178.db2.gz	HAGGEZZVDPQYDZ-UHFFFAOYSA-N	-1	0	310.313	0.569	20	30		DCEDRM
COCc1csc(NC(=O)N[C@H]2CCCN(O)C2=O)n1	ZINC001623148097	1171432903	/nfs/dbraw/zinc/43/29/03/1171432903.db2.gz	SAHCEGCPYALBNE-QMMMGPOBSA-N	-1	0	300.340	0.791	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001632646591	1171621293	/nfs/dbraw/zinc/62/12/93/1171621293.db2.gz	AEDYDDOZKYRFJD-LBPRGKRZSA-N	-1	0	318.333	0.014	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCc1c[nH][nH]c1=O	ZINC001634144193	1171663480	/nfs/dbraw/zinc/66/34/80/1171663480.db2.gz	ZXQFISQQORKIBQ-VIFPVBQESA-N	-1	0	301.306	0.209	20	30		DCEDRM
N#C[C@@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCc2ccccc2C1	ZINC001634339748	1171670694	/nfs/dbraw/zinc/67/06/94/1171670694.db2.gz	NCPIPPAMZODVJZ-OAHLLOKOSA-N	-1	0	313.317	0.257	20	30		DCEDRM
C#CCn1cc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)cn1	ZINC001634632228	1171681631	/nfs/dbraw/zinc/68/16/31/1171681631.db2.gz	ZQTRDCBCVVKXDL-UHFFFAOYSA-N	-1	0	324.300	0.196	20	30		DCEDRM
N#Cc1ccccc1C=CC(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC001635090657	1171692582	/nfs/dbraw/zinc/69/25/82/1171692582.db2.gz	MKWMMJSBGHPAOS-URWSZGRFSA-N	-1	0	310.317	0.685	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC001635640957	1171710673	/nfs/dbraw/zinc/71/06/73/1171710673.db2.gz	STMRCCSIYXNHLM-JTQLQIEISA-N	-1	0	309.347	0.459	20	30		DCEDRM
CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1nnn[n-]1	ZINC001641462292	1171915915	/nfs/dbraw/zinc/91/59/15/1171915915.db2.gz	NXHOVBKROMWQSM-SECBINFHSA-N	-1	0	308.342	0.469	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C=C(C2CC2)C2CC2)c(=O)[n-]c1=O	ZINC001641967477	1171935500	/nfs/dbraw/zinc/93/55/00/1171935500.db2.gz	AUCSNLGABJTYFC-UHFFFAOYSA-N	-1	0	314.345	0.683	20	30		DCEDRM
CN(CCOc1ccc(F)cc1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001646631233	1172448283	/nfs/dbraw/zinc/44/82/83/1172448283.db2.gz	RYUKERWZDAEGOF-UHFFFAOYSA-N	-1	0	318.308	0.600	20	30		DCEDRM
C[C@@H]1CC2(CN1c1[n-]c(=O)n(C)c(=O)c1C#N)CCOCC2	ZINC001647626796	1173004306	/nfs/dbraw/zinc/00/43/06/1173004306.db2.gz	BCTQJKWHLCWLLX-SNVBAGLBSA-N	-1	0	304.350	0.341	20	30		DCEDRM
CCCO[C@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001647629004	1173006078	/nfs/dbraw/zinc/00/60/78/1173006078.db2.gz	XXFTZBPUFTUKLK-NSHDSACASA-N	-1	0	306.366	0.731	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)C2CCOCC2)cc1	ZINC001649693239	1173168897	/nfs/dbraw/zinc/16/88/97/1173168897.db2.gz	HBRSDWVLMFYNRR-UHFFFAOYSA-N	-1	0	324.358	0.562	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H](C)c2nc[nH]n2)cc1C#N	ZINC001649744378	1173196103	/nfs/dbraw/zinc/19/61/03/1173196103.db2.gz	LGMGCEJWWGRMDZ-LURJTMIESA-N	-1	0	304.335	0.990	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCN(C)C2=O)cc1C#N	ZINC001649758094	1173205018	/nfs/dbraw/zinc/20/50/18/1173205018.db2.gz	XGWZYDPAXVXMIU-SECBINFHSA-N	-1	0	306.347	0.341	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc(N3CC=CC3)cc2)c(C#N)c1=O	ZINC001650782741	1173732431	/nfs/dbraw/zinc/73/24/31/1173732431.db2.gz	YNQWLUBWACMTMR-UHFFFAOYSA-N	-1	0	323.356	0.934	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001666724749	1174631457	/nfs/dbraw/zinc/63/14/57/1174631457.db2.gz	LBNOSUFCOWDTEK-LLVKDONJSA-N	-1	0	323.397	0.430	20	30		DCEDRM
CN(CC#N)C[C@@H]1CCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001674491676	1175279115	/nfs/dbraw/zinc/27/91/15/1175279115.db2.gz	QZDVMSOFTYGKCR-JTQLQIEISA-N	-1	0	315.333	0.988	20	30		DCEDRM
C=C[C@@H](C)[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1	ZINC001679099354	1175700866	/nfs/dbraw/zinc/70/08/66/1175700866.db2.gz	XFEZVVXFNPPZAU-WRWGMCAJSA-N	-1	0	305.382	0.888	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCC[C@@H](C)NC(=O)[C@@H](C)C#N)c1[O-]	ZINC001679463739	1175732749	/nfs/dbraw/zinc/73/27/49/1175732749.db2.gz	ZQUJLDXAYQVZKM-DTWKUNHWSA-N	-1	0	307.354	0.598	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1CC	ZINC001689170447	1176725713	/nfs/dbraw/zinc/72/57/13/1176725713.db2.gz	DEGGYQGUKFPUNZ-NWDGAFQWSA-N	-1	0	305.382	0.783	20	30		DCEDRM
CC#CCCCC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1	ZINC001700017324	1178432658	/nfs/dbraw/zinc/43/26/58/1178432658.db2.gz	KMMSNPWJBCXPQQ-BETUJISGSA-N	-1	0	317.393	0.594	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@@H](C)[C@@H](C)NCC#N)cc1=O	ZINC001700408500	1178609983	/nfs/dbraw/zinc/60/99/83/1178609983.db2.gz	LBWQZOYVQBITHX-NEPJUHHUSA-N	-1	0	307.398	0.381	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001701183702	1178949257	/nfs/dbraw/zinc/94/92/57/1178949257.db2.gz	ODOUIPOXGKNMHA-PSLIRLAXSA-N	-1	0	324.381	0.328	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001713250467	1180736602	/nfs/dbraw/zinc/73/66/02/1180736602.db2.gz	LRZWVFCUEXQGMU-GFCCVEGCSA-N	-1	0	305.382	0.785	20	30		DCEDRM
N#CCSCC(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001714096269	1181242268	/nfs/dbraw/zinc/24/22/68/1181242268.db2.gz	CMLQTPYZGJALJG-JTQLQIEISA-N	-1	0	324.410	0.238	20	30		DCEDRM
CCCCCCCN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001714954836	1181615906	/nfs/dbraw/zinc/61/59/06/1181615906.db2.gz	GABLLJLLZNJCRI-UHFFFAOYSA-N	-1	0	311.386	0.460	20	30		DCEDRM
O=C(C#CC1CC1)N[C@@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001725586932	1184898831	/nfs/dbraw/zinc/89/88/31/1184898831.db2.gz	ASIROAUVKLZODY-BLLLJJGKSA-N	-1	0	315.377	0.537	20	30		DCEDRM
C#Cc1ccc(C(=O)NCCN(CC)Cc2n[nH]c(=O)[n-]2)cc1	ZINC001731808767	1185498458	/nfs/dbraw/zinc/49/84/58/1185498458.db2.gz	MXEGSGKNJSMQID-UHFFFAOYSA-N	-1	0	313.361	0.744	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@H](CC)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001738120170	1187479455	/nfs/dbraw/zinc/47/94/55/1187479455.db2.gz	OOAVGJGEFNNNOE-BONVTDFDSA-N	-1	0	324.381	0.375	20	30		DCEDRM
C=CCCOCC(=O)N(C)C[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001738825445	1187663480	/nfs/dbraw/zinc/66/34/80/1187663480.db2.gz	GLYOHKQNVXWZCN-JTQLQIEISA-N	-1	0	324.381	0.593	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001757881484	1189573267	/nfs/dbraw/zinc/57/32/67/1189573267.db2.gz	HCIDTQBTJVNKCO-LLVKDONJSA-N	-1	0	322.365	0.299	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)C#CC2CC2)c1[O-]	ZINC001758861150	1190019109	/nfs/dbraw/zinc/01/91/09/1190019109.db2.gz	NRRQGAMLPBXLON-SECBINFHSA-N	-1	0	304.350	0.462	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001759830033	1190310377	/nfs/dbraw/zinc/31/03/77/1190310377.db2.gz	PTEHTFKWOKSCKK-LLVKDONJSA-N	-1	0	304.350	0.558	20	30		DCEDRM
COCc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001772113382	1190611009	/nfs/dbraw/zinc/61/10/09/1190611009.db2.gz	HADNTJQNGGOABZ-UHFFFAOYSA-N	-1	0	300.318	0.704	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H]2CC[C@@H](C(F)(F)F)O2)c(C#N)c1=O	ZINC001772118989	1190611270	/nfs/dbraw/zinc/61/12/70/1190611270.db2.gz	LDECKYVEKPQLGO-SVRRBLITSA-N	-1	0	318.255	0.467	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CC[C@@H]1CC1(Cl)Cl	ZINC001588425196	958222377	/nfs/dbraw/zinc/22/23/77/958222377.db2.gz	IWGHSSMXINESHD-MRVPVSSYSA-N	-1	0	314.190	0.920	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H](C)Nc2ccnc(C#N)n2)c1[O-]	ZINC001115671367	751951974	/nfs/dbraw/zinc/95/19/74/751951974.db2.gz	ORHBBXUWKMZPMF-QMMMGPOBSA-N	-1	0	315.337	0.080	20	30		DCEDRM
C=CCc1cc(C)cnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C	ZINC001167858099	748440522	/nfs/dbraw/zinc/44/05/22/748440522.db2.gz	JYJKSVMVAQSUFE-ONGXEEELSA-N	-1	0	311.363	0.933	20	30		DCEDRM
C#C[C@@H](Oc1nc[n-]c(=O)c1Br)C(=O)OCC	ZINC001226723496	748949345	/nfs/dbraw/zinc/94/93/45/748949345.db2.gz	XSHFGFSXJTUPJA-ZCFIWIBFSA-N	-1	0	301.096	0.888	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nnccc1Cl	ZINC001227791706	749306215	/nfs/dbraw/zinc/30/62/15/749306215.db2.gz	NHUZBISQGDKWQW-MRVPVSSYSA-N	-1	0	308.743	0.968	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(CC)cnn1	ZINC001229056451	749632018	/nfs/dbraw/zinc/63/20/18/749632018.db2.gz	PKLKOYWXWKCUGL-NSHDSACASA-N	-1	0	302.352	0.877	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCOCc2ccccc2)c(C#N)c1=O	ZINC001120901172	750801273	/nfs/dbraw/zinc/80/12/73/750801273.db2.gz	JKNSJZIDRJDGBK-UHFFFAOYSA-N	-1	0	300.318	0.574	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCCC(=O)OCC	ZINC001205128612	751124795	/nfs/dbraw/zinc/12/47/95/751124795.db2.gz	SXAROERHCBYJFK-LLVKDONJSA-N	-1	0	310.368	0.805	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001071909443	762219518	/nfs/dbraw/zinc/21/95/18/762219518.db2.gz	LBOJGPGELKHJEN-CMPLNLGQSA-N	-1	0	318.377	0.660	20	30		DCEDRM
C=CCCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C	ZINC001071914453	762224885	/nfs/dbraw/zinc/22/48/85/762224885.db2.gz	QWHQWEWRAMSBOC-MWLCHTKSSA-N	-1	0	306.366	0.967	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C	ZINC001071910110	762219446	/nfs/dbraw/zinc/21/94/46/762219446.db2.gz	TVYQLIXYGRMYEA-ZYHUDNBSSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C=CCCC(=O)NC[C@H]1COCCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001061406203	753863008	/nfs/dbraw/zinc/86/30/08/753863008.db2.gz	IIZMRDFXZLXAJU-NSHDSACASA-N	-1	0	322.365	0.347	20	30		DCEDRM
C=C(Cl)CN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1	ZINC001090198905	754348641	/nfs/dbraw/zinc/34/86/41/754348641.db2.gz	CRXZYZTYCGQPKW-UWVGGRQHSA-N	-1	0	314.773	0.341	20	30		DCEDRM
O=C(C#CC1CC1)N1CCC[C@@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001049466538	755275859	/nfs/dbraw/zinc/27/58/59/755275859.db2.gz	GCNDYOKUKVYIBB-CHWSQXEVSA-N	-1	0	315.377	0.489	20	30		DCEDRM
C=CCCN1CC2(C1)C[C@H](NC(=O)c1[nH]nc(C)c1[O-])CO2	ZINC001053774911	756197126	/nfs/dbraw/zinc/19/71/26/756197126.db2.gz	MMHLGNAUIQEHEZ-NSHDSACASA-N	-1	0	306.366	0.573	20	30		DCEDRM
CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001080411980	756203919	/nfs/dbraw/zinc/20/39/19/756203919.db2.gz	ZDAZKHSUVPKTQB-MRVPVSSYSA-N	-1	0	305.338	0.256	20	30		DCEDRM
N#Cc1ccc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[nH]n2)C3)nn1	ZINC001055252817	756765444	/nfs/dbraw/zinc/76/54/44/756765444.db2.gz	GNPGEBLLQCQAQI-SCVCMEIPSA-N	-1	0	310.321	0.006	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(C(=O)NC2CC2)cc1)C(=O)[O-]	ZINC000820352807	758138124	/nfs/dbraw/zinc/13/81/24/758138124.db2.gz	LUUUIFVPNKFUDR-CYBMUJFWSA-N	-1	0	300.314	0.785	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nnc(Cl)cc1C(N)=O	ZINC001169965243	760941872	/nfs/dbraw/zinc/94/18/72/760941872.db2.gz	PSLOYQSPNDLJDQ-UHFFFAOYSA-N	-1	0	321.684	0.655	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CN(C)c2ccc(C#N)nn2)c1[O-]	ZINC001108901314	761128184	/nfs/dbraw/zinc/12/81/84/761128184.db2.gz	JRCHNXUPHRVZDI-MRVPVSSYSA-N	-1	0	315.337	0.340	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@@H](C)Nc2ccncc2C#N)c1[O-]	ZINC001098984609	762772123	/nfs/dbraw/zinc/77/21/23/762772123.db2.gz	NOPXIZHASZDHQH-SECBINFHSA-N	-1	0	314.349	0.733	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001099947199	763154023	/nfs/dbraw/zinc/15/40/23/763154023.db2.gz	RUHLABXLVFUHKK-GHMZBOCLSA-N	-1	0	323.397	0.164	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C)c2ccc(C#N)nc2)c1[O-]	ZINC001100014717	763218558	/nfs/dbraw/zinc/21/85/58/763218558.db2.gz	VIOILJNYSVECDH-UHFFFAOYSA-N	-1	0	300.322	0.557	20	30		DCEDRM
CCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1ccc(C#N)nc1	ZINC001100503021	763618018	/nfs/dbraw/zinc/61/80/18/763618018.db2.gz	KQHJZXMZRCPUHD-UHFFFAOYSA-N	-1	0	314.349	0.947	20	30		DCEDRM
COC(=O)c1cc([N+](=O)[O-])c([N-][C@H](C#N)C(N)=O)cc1OC	ZINC001170535042	763630778	/nfs/dbraw/zinc/63/07/78/763630778.db2.gz	FVNTZEHUIZXRNN-MRVPVSSYSA-N	-1	0	308.250	0.179	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001132019750	764199208	/nfs/dbraw/zinc/19/92/08/764199208.db2.gz	ABTRTGHLISUZQS-RYUDHWBXSA-N	-1	0	305.382	0.639	20	30		DCEDRM
C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)CN1Cc1n[nH]c(=O)[n-]1	ZINC001132045553	764221391	/nfs/dbraw/zinc/22/13/91/764221391.db2.gz	GRTFEKYWZXYMKB-PWSUYJOCSA-N	-1	0	303.366	0.393	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)CNc2cncc(C#N)n2)c1[O-]	ZINC001103949284	765208674	/nfs/dbraw/zinc/20/86/74/765208674.db2.gz	KTFAIKNGCZUQFH-QMMMGPOBSA-N	-1	0	315.337	0.563	20	30		DCEDRM
C[C@@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983929	765297999	/nfs/dbraw/zinc/29/79/99/765297999.db2.gz	JZMUKMRLODJAPI-GXSJLCMTSA-N	-1	0	321.358	0.763	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H](C)Nc2ccncc2C#N)c1[O-]	ZINC001115671926	765786991	/nfs/dbraw/zinc/78/69/91/765786991.db2.gz	XXSMLNBPDKRXRD-VIFPVBQESA-N	-1	0	314.349	0.685	20	30		DCEDRM
Cc1nc2ccccc2c(=O)n1N=Cc1cn(CC(=O)[O-])nn1	ZINC001116301146	765857923	/nfs/dbraw/zinc/85/79/23/765857923.db2.gz	GDTJGAPRDAGFGW-UHFFFAOYSA-N	-1	0	312.289	0.263	20	30		DCEDRM
C=CC[C@@H](NC(=O)CNC(=O)NCc1ccc(F)cc1)C(=O)[O-]	ZINC001116921711	765927398	/nfs/dbraw/zinc/92/73/98/765927398.db2.gz	GWEGDXBPTAAFFS-GFCCVEGCSA-N	-1	0	323.324	0.770	20	30		DCEDRM
C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)[N-]Oc1cccc(C#N)c1	ZINC001171255220	767302607	/nfs/dbraw/zinc/30/26/07/767302607.db2.gz	CKGMBMYKEQFSJW-ZANVPECISA-N	-1	0	303.318	0.244	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@@H](C)C1	ZINC001122512678	767821120	/nfs/dbraw/zinc/82/11/20/767821120.db2.gz	PHXORTYEFZIAPC-JTQLQIEISA-N	-1	0	304.354	0.303	20	30		DCEDRM
C#CC1CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1	ZINC001143054472	768684840	/nfs/dbraw/zinc/68/48/40/768684840.db2.gz	WPSXHNQLBYNCIQ-UHFFFAOYSA-N	-1	0	312.329	0.752	20	30		DCEDRM
Nc1nonc1C(=N[O-])Nc1ccc(CN2CC(O)C2)cc1	ZINC001212664293	769481740	/nfs/dbraw/zinc/48/17/40/769481740.db2.gz	GXDUPBIPJAWTEF-UHFFFAOYSA-N	-1	0	304.310	0.076	20	30		DCEDRM
CC(C)=CCCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001234114792	769555799	/nfs/dbraw/zinc/55/57/99/769555799.db2.gz	ZSZCCYQBMAAONC-UHFFFAOYSA-N	-1	0	305.338	0.476	20	30		DCEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2ccc(C(N)=O)cc21)C(=O)OCC	ZINC001234515706	769681054	/nfs/dbraw/zinc/68/10/54/769681054.db2.gz	MCEFDHYPJMXXBC-LLVKDONJSA-N	-1	0	315.285	0.378	20	30		DCEDRM
N=C(c1nonc1N)N(O)C(=O)c1cnn2ccc(Cl)nc12	ZINC001154770063	770289714	/nfs/dbraw/zinc/28/97/14/770289714.db2.gz	WRIRXJBSOCTNDC-UHFFFAOYSA-N	-1	0	322.672	0.205	20	30		DCEDRM
N=C(c1nonc1N)N(O)C(=O)c1cnn2cc(F)ccc12	ZINC001156921807	770965451	/nfs/dbraw/zinc/96/54/51/770965451.db2.gz	CVXMVFRKCHAMFN-UHFFFAOYSA-N	-1	0	305.229	0.296	20	30		DCEDRM
Cc1ccc(C(=NC(=O)C(F)(F)C(F)(F)C(=O)[O-])NO)nc1	ZINC001180176929	771068841	/nfs/dbraw/zinc/06/88/41/771068841.db2.gz	SGSRXMJZOUPCMS-UHFFFAOYSA-N	-1	0	323.202	0.997	20	30		DCEDRM
C[C@H]1[C@H](Nc2cc(C#N)cc(Cl)n2)C(=O)N1S(=O)(=O)[O-]	ZINC001157065570	771526362	/nfs/dbraw/zinc/52/63/62/771526362.db2.gz	ZDHJXUBHNYUFSI-CDUCUWFYSA-N	-1	0	316.726	0.421	20	30		DCEDRM
COc1cc(C#N)nc(NC(=N)SCCS(=O)(=O)[O-])c1	ZINC001157322691	771586061	/nfs/dbraw/zinc/58/60/61/771586061.db2.gz	SXIZAEMTGBOEIF-UHFFFAOYSA-N	-1	0	316.364	0.930	20	30		DCEDRM
CCOC(=O)[C@H](C#N)[N-]C(=O)C(F)(F)OCC(F)(F)F	ZINC001183198017	771618986	/nfs/dbraw/zinc/61/89/86/771618986.db2.gz	UEHGZKIBWCMOII-YFKPBYRVSA-N	-1	0	304.171	0.730	20	30		DCEDRM
CCOC(=O)[C@@H]1CN(C(=O)CCC(=O)C2=CC=C[CH]2)CCO1	ZINC001184243037	771762522	/nfs/dbraw/zinc/76/25/22/771762522.db2.gz	BVRGSQSBJGVOAO-AWEZNQCLSA-N	-1	0	306.338	0.827	20	30		DCEDRM
O=C(CCC(=O)N1CCC2(CNC(=O)N2)CC1)C1=CC=C[CH]1	ZINC001184244372	771763132	/nfs/dbraw/zinc/76/31/32/771763132.db2.gz	UKWYLEKDLJDHKK-UHFFFAOYSA-N	-1	0	302.354	0.710	20	30		DCEDRM
CCOC(=O)[C@H]1COCCN1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244168	771763298	/nfs/dbraw/zinc/76/32/98/771763298.db2.gz	QXOUFOIRNSWNPW-CYBMUJFWSA-N	-1	0	306.338	0.827	20	30		DCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(Cn2ccnn2)o1	ZINC001159641819	771938062	/nfs/dbraw/zinc/93/80/62/771938062.db2.gz	QSZLRJQUYDBNIX-SNVBAGLBSA-N	-1	0	305.294	0.029	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1cccnn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001159645723	771938297	/nfs/dbraw/zinc/93/82/97/771938297.db2.gz	HZOKCSFEVDZHEF-NOZJJQNGSA-N	-1	0	308.363	0.442	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1cc(N)ncn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001159650390	771939506	/nfs/dbraw/zinc/93/95/06/771939506.db2.gz	LZXMBEJYKDZKAB-AMIZOPFISA-N	-1	0	323.378	0.024	20	30		DCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1	ZINC001185946594	771974573	/nfs/dbraw/zinc/97/45/73/771974573.db2.gz	SCCKNQMAEKOAEI-UHFFFAOYSA-N	-1	0	302.319	0.969	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2ccc3c[nH]nc3c2)c(C#N)c1=O	ZINC001186422026	772043060	/nfs/dbraw/zinc/04/30/60/772043060.db2.gz	DJNBPBFHJVSZED-UHFFFAOYSA-N	-1	0	310.317	0.476	20	30		DCEDRM
C=C(C)C(=O)OCCNC(=O)c1ccccc1S(=O)(=O)[O-]	ZINC001189698741	772518513	/nfs/dbraw/zinc/51/85/13/772518513.db2.gz	IOMKWZWZEMHAIC-UHFFFAOYSA-N	-1	0	313.331	0.782	20	30		DCEDRM
C=C(C)C(=O)NCCC[N-]S(=O)(=O)c1ncc(F)cc1F	ZINC001190191442	772598290	/nfs/dbraw/zinc/59/82/90/772598290.db2.gz	IIZODURGESWNPZ-UHFFFAOYSA-N	-1	0	319.333	0.721	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)n(CCO)n1	ZINC001190616231	772645504	/nfs/dbraw/zinc/64/55/04/772645504.db2.gz	LUHDZDKMCGASRC-UHFFFAOYSA-N	-1	0	324.337	0.995	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnn(CCO)c2)c1	ZINC001190616942	772646338	/nfs/dbraw/zinc/64/63/38/772646338.db2.gz	AXQJNAQVDFUVPO-UHFFFAOYSA-N	-1	0	310.310	0.687	20	30		DCEDRM
COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2ncc[nH]2)c1	ZINC001190731280	772669707	/nfs/dbraw/zinc/66/97/07/772669707.db2.gz	NTRBRCAQHOFVOV-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
CC#CCCCC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001191860145	772830553	/nfs/dbraw/zinc/83/05/53/772830553.db2.gz	XGIATJOXZOHHAN-GFCCVEGCSA-N	-1	0	305.382	0.737	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCN(c3ncncn3)CC2)ccc1[O-]	ZINC001193504574	773075172	/nfs/dbraw/zinc/07/51/72/773075172.db2.gz	FJXKJBYMPMHRDG-UHFFFAOYSA-N	-1	0	310.317	0.411	20	30		DCEDRM
Cn1[n-]nnc1=NC(=O)c1ccc(C#CBr)cc1	ZINC001194787442	773254299	/nfs/dbraw/zinc/25/42/99/773254299.db2.gz	QIELWTFFXCKNFF-UHFFFAOYSA-N	-1	0	306.123	0.588	20	30		DCEDRM
COC(=O)CN1CCN(C(=O)c2ccc(C#N)cc2[O-])CC1	ZINC001195741603	773474315	/nfs/dbraw/zinc/47/43/15/773474315.db2.gz	ODIHMDWDUDZSGT-UHFFFAOYSA-N	-1	0	303.318	0.195	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC	ZINC001213260554	773824485	/nfs/dbraw/zinc/82/44/85/773824485.db2.gz	LPRQVHVQKNBSON-GHMZBOCLSA-N	-1	0	323.397	0.428	20	30		DCEDRM
C#C[C@H](C)NC(=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl	ZINC001198009010	773834334	/nfs/dbraw/zinc/83/43/34/773834334.db2.gz	ZQDYFFLZKCWIDD-QMMMGPOBSA-N	-1	0	318.720	0.738	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC	ZINC001213389702	773842118	/nfs/dbraw/zinc/84/21/18/773842118.db2.gz	FDUKXWFVMOFOJP-UEKVPHQBSA-N	-1	0	323.397	0.428	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001110544206	774229621	/nfs/dbraw/zinc/22/96/21/774229621.db2.gz	ZJWQSTDDWHLDSG-UTUOFQBUSA-N	-1	0	317.393	0.781	20	30		DCEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])c1C#N	ZINC001226221004	775784908	/nfs/dbraw/zinc/78/49/08/775784908.db2.gz	FIVJDKPZSCCICE-RBLKWDMZSA-N	-1	0	323.261	0.089	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(Cl)nn1	ZINC001226455410	775818792	/nfs/dbraw/zinc/81/87/92/775818792.db2.gz	COYVSJATODMMOY-QMMMGPOBSA-N	-1	0	308.743	0.968	20	30		DCEDRM
Cc1noc(CCCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001600811682	1168336026	/nfs/dbraw/zinc/33/60/26/1168336026.db2.gz	FREFIMANKKTFIF-UHFFFAOYSA-N	-1	0	306.322	0.918	20	30		DCEDRM
N#CC[C@H](N1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O)C(F)(F)F	ZINC001601062981	1168579684	/nfs/dbraw/zinc/57/96/84/1168579684.db2.gz	WJUACVGVRCDQSO-PRJMDXOYSA-N	-1	0	319.239	0.958	20	30		DCEDRM
C#CCN(C(=O)C(=O)NCc1cc(C(=O)[O-])c(C)o1)C(C)C	ZINC001602711466	1169166293	/nfs/dbraw/zinc/16/62/93/1169166293.db2.gz	INISWDFPVIOZGU-UHFFFAOYSA-N	-1	0	306.318	0.773	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001602945618	1169216449	/nfs/dbraw/zinc/21/64/49/1169216449.db2.gz	YTIVVPROLAJWHK-LLVKDONJSA-N	-1	0	311.359	0.628	20	30		DCEDRM
C#CCN1C(=O)COCC12CN(C(=O)c1ccccc1[S-])C2	ZINC001269956604	940805964	/nfs/dbraw/zinc/80/59/64/940805964.db2.gz	IGSGHOYSBZABQL-UHFFFAOYSA-N	-1	0	316.382	0.662	20	30		DCEDRM
CN1C[C@]2(CCN(C(=O)CCC(=O)C3=CC=C[CH]3)C2)OCC1=O	ZINC001271441677	941376421	/nfs/dbraw/zinc/37/64/21/941376421.db2.gz	HBWUOTQSXPSUID-KRWDZBQOSA-N	-1	0	317.365	0.496	20	30		DCEDRM
C#CCN1CC[C@]2(CCN(C(=O)c3cccc(C#N)c3[O-])C2)C1=O	ZINC001271793846	941452611	/nfs/dbraw/zinc/45/26/11/941452611.db2.gz	GCCHHCWENAMYSF-GOSISDBHSA-N	-1	0	323.352	0.962	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC(c3cn[nH]c3)CC2)c(C#N)c1=O	ZINC001412874972	942119028	/nfs/dbraw/zinc/11/90/28/942119028.db2.gz	RBPSAHNYNCJCNC-UHFFFAOYSA-N	-1	0	300.322	0.052	20	30		DCEDRM
C[C@H]1CSC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412931356	942144730	/nfs/dbraw/zinc/14/47/30/942144730.db2.gz	RWQRVLAWAXNGPY-WCBMZHEXSA-N	-1	0	308.363	0.078	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)Cc1ccccc1CC#N)C(=O)[O-]	ZINC001601034202	970916041	/nfs/dbraw/zinc/91/60/41/970916041.db2.gz	LQJBXKMLUGWVIX-HNNXBMFYSA-N	-1	0	312.329	0.971	20	30		DCEDRM
C=CCCC(=O)NC[C@@H]1CCN1Cc1cc(=O)n2[n-]ccc2n1	ZINC001483636132	942604406	/nfs/dbraw/zinc/60/44/06/942604406.db2.gz	JFGIHUXELRIPFJ-ZDUSSCGKSA-N	-1	0	315.377	0.679	20	30		DCEDRM
N#Cc1cc(F)cc(C2(C(=O)OCC(=O)NCC(=O)[O-])CC2)c1	ZINC001601089784	970930787	/nfs/dbraw/zinc/93/07/87/970930787.db2.gz	STEAJFVMCWDCNM-UHFFFAOYSA-N	-1	0	320.276	0.473	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1	ZINC001413469896	943002506	/nfs/dbraw/zinc/00/25/06/943002506.db2.gz	JFNLATJBKAYKKJ-MGCOHNPYSA-N	-1	0	309.347	0.273	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NCC2(NCC#N)CCC2)cc1=O	ZINC001484643240	943488953	/nfs/dbraw/zinc/48/89/53/943488953.db2.gz	OHSMEPBSDTWOFH-UHFFFAOYSA-N	-1	0	319.409	0.527	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001484714213	943529837	/nfs/dbraw/zinc/52/98/37/943529837.db2.gz	SJTUCLMGOCTYMU-LBPRGKRZSA-N	-1	0	305.382	0.785	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)Nc2n[nH]nc2C(=O)NC2CC2)C1	ZINC001413676349	943565500	/nfs/dbraw/zinc/56/55/00/943565500.db2.gz	UFXOTYPJAWMZLH-IONNQARKSA-N	-1	0	303.326	0.511	20	30		DCEDRM
Cc1coc(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)c1	ZINC001413804267	944108732	/nfs/dbraw/zinc/10/87/32/944108732.db2.gz	CVCHYMRLMNSWSK-UHFFFAOYSA-N	-1	0	300.274	0.419	20	30		DCEDRM
C=CCCC(=O)N1CC[C@]2(C1)CN(Cc1n[nH]c(=O)[n-]1)CCO2	ZINC001276533442	944201776	/nfs/dbraw/zinc/20/17/76/944201776.db2.gz	WRRQCYASSTZFJG-OAHLLOKOSA-N	-1	0	321.381	0.280	20	30		DCEDRM
C=CCN1CC2(CN(Cc3ccc(C(=O)[O-])o3)C2)OCC1=O	ZINC001272758473	944212759	/nfs/dbraw/zinc/21/27/59/944212759.db2.gz	KYNCEUNYXPKHAL-UHFFFAOYSA-N	-1	0	306.318	0.577	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)N(CC)CC	ZINC001319916821	945691961	/nfs/dbraw/zinc/69/19/61/945691961.db2.gz	AQKLYRPFUQYQKF-UHFFFAOYSA-N	-1	0	313.379	0.963	20	30		DCEDRM
C=C(C)C(=O)OCc1cn(CCOCCOCC(=O)[O-])nn1	ZINC001254090506	946314584	/nfs/dbraw/zinc/31/45/84/946314584.db2.gz	OFYALGQNGVNJIA-UHFFFAOYSA-N	-1	0	313.310	0.015	20	30		DCEDRM
C#CCN(C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C1CCCC1	ZINC001602675775	971254337	/nfs/dbraw/zinc/25/43/37/971254337.db2.gz	QAQZPXXLBPYNPX-UHFFFAOYSA-N	-1	0	318.333	0.311	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc([C@@H](C)OC)c1	ZINC001602678619	971255850	/nfs/dbraw/zinc/25/58/50/971255850.db2.gz	CFNPHKIRAPPGJS-LLVKDONJSA-N	-1	0	318.329	0.879	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(C2CC2)n(CC)n1	ZINC001602679831	971262473	/nfs/dbraw/zinc/26/24/73/971262473.db2.gz	WLCOGJQJXVBMIX-UHFFFAOYSA-N	-1	0	318.333	0.265	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCn1c2ccccc2n(C)c1=O	ZINC001602682641	971269881	/nfs/dbraw/zinc/26/98/81/971269881.db2.gz	RENSJOFHBDGYJJ-UHFFFAOYSA-N	-1	0	315.329	0.277	20	30		DCEDRM
Cc1noc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C(N)=O	ZINC001258036328	946792463	/nfs/dbraw/zinc/79/24/63/946792463.db2.gz	WNWFZSWGJMEMLR-UHFFFAOYSA-N	-1	0	306.303	0.754	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1	ZINC001602683806	971276508	/nfs/dbraw/zinc/27/65/08/971276508.db2.gz	KDZXBVZBXSBLDQ-ZIAGYGMSSA-N	-1	0	323.393	0.359	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC(=O)N(CC)c1ccccc1	ZINC001602683905	971276774	/nfs/dbraw/zinc/27/67/74/971276774.db2.gz	LRFZEMSNOZZLMU-UHFFFAOYSA-N	-1	0	317.345	0.769	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1	ZINC001602683965	971277390	/nfs/dbraw/zinc/27/73/90/971277390.db2.gz	MZRJIDMFQPAAEQ-RWMBFGLXSA-N	-1	0	311.382	0.214	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1cccc([N+](=O)[O-])c1	ZINC001602686059	971285502	/nfs/dbraw/zinc/28/55/02/971285502.db2.gz	PQXWAKYHBJZQIY-UHFFFAOYSA-N	-1	0	305.290	0.867	20	30		DCEDRM
C[C@H]1CN(O)C(=O)[C@H]1NS(=O)(=O)c1ccc(F)cc1Cl	ZINC001258918515	946870666	/nfs/dbraw/zinc/87/06/66/946870666.db2.gz	AWEFWURUONILLQ-WKEGUHRASA-N	-1	0	322.745	0.994	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC[P@](=O)([O-])O)c(Cl)c1	ZINC001259114579	946915068	/nfs/dbraw/zinc/91/50/68/946915068.db2.gz	KNFJOACFQPITCE-UHFFFAOYSA-N	-1	0	324.682	0.668	20	30		DCEDRM
C#Cc1cccc(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)c1	ZINC001573291133	946915700	/nfs/dbraw/zinc/91/57/00/946915700.db2.gz	WWZGPCOHUHJWHD-SNVBAGLBSA-N	-1	0	322.332	0.317	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC001602695234	971305198	/nfs/dbraw/zinc/30/51/98/971305198.db2.gz	AEVHUBWEKJLBHQ-UHFFFAOYSA-N	-1	0	324.358	0.048	20	30		DCEDRM
C=CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC001259921225	947021863	/nfs/dbraw/zinc/02/18/63/947021863.db2.gz	FYFUKJRUHRRADC-UHFFFAOYSA-N	-1	0	318.376	0.439	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCCN2C)n1CC=C	ZINC001602700578	971319375	/nfs/dbraw/zinc/31/93/75/971319375.db2.gz	AABQGJOTRYUDPL-GFCCVEGCSA-N	-1	0	303.366	0.755	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C[S@@](C)=O)n1CC(C)C	ZINC001602700688	971320418	/nfs/dbraw/zinc/32/04/18/971320418.db2.gz	DYAOXNDRBCLTKK-OAQYLSRUSA-N	-1	0	312.395	0.337	20	30		DCEDRM
N#C[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1F)C(N)=O	ZINC001260204593	947083774	/nfs/dbraw/zinc/08/37/74/947083774.db2.gz	GRDYLFHCEQYIGH-ZETCQYMHSA-N	-1	0	309.681	0.274	20	30		DCEDRM
Cc1cc(C)n2ncc(C(=O)[N-]S(=O)(=O)CCCC#N)c2n1	ZINC001323471374	947093384	/nfs/dbraw/zinc/09/33/84/947093384.db2.gz	JYSQZUYCQBVYJD-UHFFFAOYSA-N	-1	0	321.362	0.710	20	30		DCEDRM
CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)CS(C)(=O)=O	ZINC001260584625	947115935	/nfs/dbraw/zinc/11/59/35/947115935.db2.gz	PIYGUWQUIYOYEL-UHFFFAOYSA-N	-1	0	306.369	0.079	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1cccc(Cl)c1C#N	ZINC001260591855	947120482	/nfs/dbraw/zinc/12/04/82/947120482.db2.gz	PBRFJFDGBVPSOF-UHFFFAOYSA-N	-1	0	308.768	0.955	20	30		DCEDRM
COc1ccc(C#N)cc1[N-]S(=O)(=O)CS(C)(=O)=O	ZINC001260592750	947121989	/nfs/dbraw/zinc/12/19/89/947121989.db2.gz	PXNSUMHIAZNMHQ-UHFFFAOYSA-N	-1	0	304.349	0.311	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCO[C@H]2C)n1CC=C	ZINC001602701000	971325450	/nfs/dbraw/zinc/32/54/50/971325450.db2.gz	RDUZKYMLQMXWLY-NWDGAFQWSA-N	-1	0	304.350	0.881	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC001602707215	971342671	/nfs/dbraw/zinc/34/26/71/971342671.db2.gz	MHKNFOOJIAIYMT-TUAOUCFPSA-N	-1	0	312.366	0.263	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001602709751	971348123	/nfs/dbraw/zinc/34/81/23/971348123.db2.gz	JLOQJBXFPDJVQE-GFCCVEGCSA-N	-1	0	312.366	0.455	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)NC)n2)CC1	ZINC001324193005	947348074	/nfs/dbraw/zinc/34/80/74/947348074.db2.gz	NAIUZFBQCMPFII-UHFFFAOYSA-N	-1	0	323.374	0.610	20	30		DCEDRM
C=CCN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[C@@H](C)COC	ZINC001602721987	971384500	/nfs/dbraw/zinc/38/45/00/971384500.db2.gz	MPSTZUDYQMUFPE-NWDGAFQWSA-N	-1	0	312.366	0.359	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001602728932	971398624	/nfs/dbraw/zinc/39/86/24/971398624.db2.gz	PPSONZGZGXDFID-JTQLQIEISA-N	-1	0	322.317	0.783	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)N(CC)CC)nn1	ZINC001325909405	948017148	/nfs/dbraw/zinc/01/71/48/948017148.db2.gz	PCJITCAUZSNURN-UHFFFAOYSA-N	-1	0	301.372	0.171	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)[N-]OC/C=C/Cl)nn1CCC#N	ZINC001327555430	948548895	/nfs/dbraw/zinc/54/88/95/948548895.db2.gz	IGVDERQUTVMZSZ-DUXPYHPUSA-N	-1	0	311.729	0.844	20	30		DCEDRM
COC(=O)[C@H](CC(C)C)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001570919046	948582046	/nfs/dbraw/zinc/58/20/46/948582046.db2.gz	XQRFPFUJQSSJAW-QMMMGPOBSA-N	-1	0	316.325	0.528	20	30		DCEDRM
CC(C)[C@@]1(CO)CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001574091644	949020567	/nfs/dbraw/zinc/02/05/67/949020567.db2.gz	PTNUHRIOULTFSE-AWEZNQCLSA-N	-1	0	314.353	0.373	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC001602796927	971564977	/nfs/dbraw/zinc/56/49/77/971564977.db2.gz	LHMSYUXHICLKMQ-UWVGGRQHSA-N	-1	0	311.338	0.679	20	30		DCEDRM
Cc1ccc(O)cc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364474490	949384814	/nfs/dbraw/zinc/38/48/14/949384814.db2.gz	QIJYONVCFHFZIR-UHFFFAOYSA-N	-1	0	314.301	0.863	20	30		DCEDRM
CCc1ccc([C@H](COC)Nc2[n-]c(=O)n(C)c(=O)c2C#N)o1	ZINC001364533066	949506671	/nfs/dbraw/zinc/50/66/71/949506671.db2.gz	NPRRTBDZTYDCOJ-NSHDSACASA-N	-1	0	318.333	0.900	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](CO)c2cccc(F)c2)c(C#N)c1=O	ZINC001364533158	949508573	/nfs/dbraw/zinc/50/85/73/949508573.db2.gz	NUUUBYCVRHILOF-NSHDSACASA-N	-1	0	304.281	0.230	20	30		DCEDRM
CS(=O)(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C1	ZINC001364720364	949811422	/nfs/dbraw/zinc/81/14/22/949811422.db2.gz	YYKVSIWVULYNAE-SNVBAGLBSA-N	-1	0	323.374	0.275	20	30		DCEDRM
CO/N=C/c1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cc1	ZINC001548766636	1013102160	/nfs/dbraw/zinc/10/21/60/1013102160.db2.gz	WOQPJUINUWOHIQ-AZZDOICSSA-N	-1	0	300.322	0.810	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C(=O)[O-])c1ccnn1C	ZINC001589720933	950420929	/nfs/dbraw/zinc/42/09/29/950420929.db2.gz	XSJBNZNTHRLKHM-GXFFZTMASA-N	-1	0	307.354	0.144	20	30		DCEDRM
CC1(C)C[C@H]1CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365105854	950527430	/nfs/dbraw/zinc/52/74/30/950527430.db2.gz	OIEGIBBMSYORNJ-JTQLQIEISA-N	-1	0	305.338	0.166	20	30		DCEDRM
C[C@]1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCCCO1	ZINC001575614634	950542416	/nfs/dbraw/zinc/54/24/16/950542416.db2.gz	KRRFIRPRMCYNQG-GFCCVEGCSA-N	-1	0	302.298	0.359	20	30		DCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@@](C)(O)c1ccccc1	ZINC001365230792	950777352	/nfs/dbraw/zinc/77/73/52/950777352.db2.gz	XKROPHASMHPBTG-QLJPJBMISA-N	-1	0	314.345	0.653	20	30		DCEDRM
C#C[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)C1CCOCC1	ZINC001330967082	950793588	/nfs/dbraw/zinc/79/35/88/950793588.db2.gz	XDGVGIOUIRHAEF-GFCCVEGCSA-N	-1	0	300.318	0.181	20	30		DCEDRM
CC(C)C1(CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001365346710	951007115	/nfs/dbraw/zinc/00/71/15/951007115.db2.gz	ARWHCNKXYSRTAE-UHFFFAOYSA-N	-1	0	319.365	0.556	20	30		DCEDRM
C=CCCOCC(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001280997126	951212880	/nfs/dbraw/zinc/21/28/80/951212880.db2.gz	USVGVNXIEYRPDN-SNVBAGLBSA-N	-1	0	324.381	0.593	20	30		DCEDRM
C=CC[C@@H](NC(=O)CN1CCN(c2ccccn2)CC1)C(=O)[O-]	ZINC001332135604	951495135	/nfs/dbraw/zinc/49/51/35/951495135.db2.gz	KACURPIHXLOPED-CYBMUJFWSA-N	-1	0	318.377	0.349	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)NCCCCC(=O)[O-])c1	ZINC001333829662	952168090	/nfs/dbraw/zinc/16/80/90/952168090.db2.gz	CKUXPXSTRISNJR-UHFFFAOYSA-N	-1	0	302.330	0.655	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CC3(CN(Cc4cn[nH]c4)C3)C2)c1[O-]	ZINC001275734901	952415483	/nfs/dbraw/zinc/41/54/83/952415483.db2.gz	TVQGUKKHQMNARZ-UHFFFAOYSA-N	-1	0	323.356	0.945	20	30		DCEDRM
N#Cc1ccc(CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C2CC2)cc1	ZINC001411942562	952556042	/nfs/dbraw/zinc/55/60/42/952556042.db2.gz	BULDCNLJIBUWSZ-UHFFFAOYSA-N	-1	0	313.317	0.752	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC1(CO)COC(C)(C)OC1	ZINC001412072594	952633092	/nfs/dbraw/zinc/63/30/92/952633092.db2.gz	LVKZFXGYTVSIEG-UHFFFAOYSA-N	-1	0	321.333	0.211	20	30		DCEDRM
CCn1ccnc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412222613	952706284	/nfs/dbraw/zinc/70/62/84/952706284.db2.gz	HWVWZCQRKJYFFD-UHFFFAOYSA-N	-1	0	302.294	0.066	20	30		DCEDRM
CC(=O)NC1CCC(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC001412289168	952733513	/nfs/dbraw/zinc/73/35/13/952733513.db2.gz	FDOMJIWWRCFAHN-UHFFFAOYSA-N	-1	0	300.322	0.786	20	30		DCEDRM
CC(C)n1cc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001412296583	952735535	/nfs/dbraw/zinc/73/55/35/952735535.db2.gz	MLHQUKONHGGYJU-UHFFFAOYSA-N	-1	0	316.321	0.627	20	30		DCEDRM
CC1(C)C[C@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001412369054	952766855	/nfs/dbraw/zinc/76/68/55/952766855.db2.gz	ATWWTXQQQKIMFA-SNVBAGLBSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001337191088	952825054	/nfs/dbraw/zinc/82/50/54/952825054.db2.gz	NVMKWRGJNRGBJC-NHYWBVRUSA-N	-1	0	312.366	0.407	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)o1	ZINC001337264359	952834802	/nfs/dbraw/zinc/83/48/02/952834802.db2.gz	RSUXHTUPZIRWLQ-UHFFFAOYSA-N	-1	0	300.292	0.430	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(N)=O)n(-c2ccccc2)n1	ZINC001341887057	953257109	/nfs/dbraw/zinc/25/71/09/953257109.db2.gz	WIPPULCPIIGJBE-SNVBAGLBSA-N	-1	0	311.301	0.040	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCC2	ZINC001342696061	953302672	/nfs/dbraw/zinc/30/26/72/953302672.db2.gz	LKLUDEJZNWMAEI-GFCCVEGCSA-N	-1	0	304.350	0.695	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCC2	ZINC001342696063	953302711	/nfs/dbraw/zinc/30/27/11/953302711.db2.gz	LKLUDEJZNWMAEI-LBPRGKRZSA-N	-1	0	304.350	0.695	20	30		DCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(C(N)=O)nc1	ZINC001343293434	953335111	/nfs/dbraw/zinc/33/51/11/953335111.db2.gz	XUXDSFLUXABCSJ-LLVKDONJSA-N	-1	0	300.318	0.562	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CC1(CS(C)(=O)=O)CC1	ZINC001343310810	953336793	/nfs/dbraw/zinc/33/67/93/953336793.db2.gz	BKBPLCJZXYVWJZ-SNVBAGLBSA-N	-1	0	323.374	0.527	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001281932315	953418691	/nfs/dbraw/zinc/41/86/91/953418691.db2.gz	KLKNYOXWGMNUKG-ABAIWWIYSA-N	-1	0	323.397	0.260	20	30		DCEDRM
C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])O2)CO1	ZINC001589296281	953650158	/nfs/dbraw/zinc/65/01/58/953650158.db2.gz	MNLUNTHOHMPGQB-FDRIWYBQSA-N	-1	0	310.350	0.834	20	30		DCEDRM
CN(C)[C@H](CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])C(F)(F)F	ZINC001593690843	954028788	/nfs/dbraw/zinc/02/87/88/954028788.db2.gz	HZABKFDTPKUZRT-LDYMZIIASA-N	-1	0	309.288	0.990	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)nn1	ZINC001348501017	954333170	/nfs/dbraw/zinc/33/31/70/954333170.db2.gz	FNXNMVHVUCAXNL-GFCCVEGCSA-N	-1	0	321.381	0.475	20	30		DCEDRM
C[C@@H]1[C@H](NC(=O)CSCC#N)CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001284121183	954863458	/nfs/dbraw/zinc/86/34/58/954863458.db2.gz	PMMYEJHGOLSVJL-NXEZZACHSA-N	-1	0	324.410	0.236	20	30		DCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)CCCC#N)COc2ccccc2O1	ZINC001351511719	955319181	/nfs/dbraw/zinc/31/91/81/955319181.db2.gz	UPQSTGXIYHHSJR-CQSZACIVSA-N	-1	0	324.358	0.966	20	30		DCEDRM
Cc1onc(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1C#N	ZINC001594510490	955385433	/nfs/dbraw/zinc/38/54/33/955385433.db2.gz	ZTIDDTYSXDHRGD-NWDGAFQWSA-N	-1	0	303.318	0.966	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC001593845037	955403702	/nfs/dbraw/zinc/40/37/02/955403702.db2.gz	CYSSZSRBCWJUMW-LBPRGKRZSA-N	-1	0	320.301	0.460	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)c1sccc1CC#N)C(=O)[O-]	ZINC001593848876	955441502	/nfs/dbraw/zinc/44/15/02/955441502.db2.gz	VXFIOPOIEOXJQM-VIFPVBQESA-N	-1	0	310.331	0.950	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)C#CC2CC2)c1[O-]	ZINC001285223834	955529120	/nfs/dbraw/zinc/52/91/20/955529120.db2.gz	ZWQLYWLIKXHMGD-VIFPVBQESA-N	-1	0	304.350	0.319	20	30		DCEDRM
C=CCCC(=O)NC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C	ZINC001285304787	955560471	/nfs/dbraw/zinc/56/04/71/955560471.db2.gz	DJTBMXUZUCBSFI-VIFPVBQESA-N	-1	0	323.353	0.120	20	30		DCEDRM
COC(=O)c1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])ccn1	ZINC001593869859	955621692	/nfs/dbraw/zinc/62/16/92/955621692.db2.gz	BIHLGZDAWPPSTO-AWEZNQCLSA-N	-1	0	305.290	0.489	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1	ZINC001352774778	955759968	/nfs/dbraw/zinc/75/99/68/955759968.db2.gz	HKMNFUMJFZSFGI-LLVKDONJSA-N	-1	0	312.347	0.745	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC001593905809	955910226	/nfs/dbraw/zinc/91/02/26/955910226.db2.gz	KJPHGKVVRSHFAJ-ZDUSSCGKSA-N	-1	0	321.308	0.446	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1	ZINC001593906073	955915435	/nfs/dbraw/zinc/91/54/35/955915435.db2.gz	OKXNOCLFRBRMFP-CHWSQXEVSA-N	-1	0	304.302	0.558	20	30		DCEDRM
C[C@H](C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)n1cnc(C#N)n1	ZINC001589088491	955919841	/nfs/dbraw/zinc/91/98/41/955919841.db2.gz	XKDYYZLGQADVLH-ZRUFSTJUSA-N	-1	0	319.365	0.962	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N	ZINC001593931662	956189976	/nfs/dbraw/zinc/18/99/76/956189976.db2.gz	WGMQDWSIWCODLL-CQSZACIVSA-N	-1	0	324.289	0.740	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)C2	ZINC001594627771	956325274	/nfs/dbraw/zinc/32/52/74/956325274.db2.gz	VMZPGJSPXKPBGH-LBPRGKRZSA-N	-1	0	311.301	0.132	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)CNc2ccc(C#N)cn2)C1	ZINC001593961893	956493051	/nfs/dbraw/zinc/49/30/51/956493051.db2.gz	VMLRYOVKTFURMI-OAHLLOKOSA-N	-1	0	318.333	0.315	20	30		DCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCC2(COC2)C1	ZINC001355989253	956756616	/nfs/dbraw/zinc/75/66/16/956756616.db2.gz	FVLUXVPLVGGVCX-UHFFFAOYSA-N	-1	0	316.365	0.797	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(CCOc2cccc(C#N)c2)CCO1	ZINC001593985464	956768702	/nfs/dbraw/zinc/76/87/02/956768702.db2.gz	HGCFDJMMQQBNHY-MRXNPFEDSA-N	-1	0	320.345	0.739	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC001325716666	957312500	/nfs/dbraw/zinc/31/25/00/957312500.db2.gz	KEECRLHKZFEJQR-VIFPVBQESA-N	-1	0	301.302	0.427	20	30		DCEDRM
C=CCn1cc(CNC(=O)NCC2(C(=O)[O-])CCOCC2)nn1	ZINC001326806222	957330562	/nfs/dbraw/zinc/33/05/62/957330562.db2.gz	RRIQWKVEKAEEGB-UHFFFAOYSA-N	-1	0	323.353	0.145	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2cccc(F)c2F)c(C#N)c1=O	ZINC001413883023	957512236	/nfs/dbraw/zinc/51/22/36/957512236.db2.gz	XQBKBHIQUVCCOH-UHFFFAOYSA-N	-1	0	306.272	0.878	20	30		DCEDRM
COCCn1c([C@H]2C[C@@H]2C#N)nnc1N1CCC(C(=O)[O-])CC1	ZINC001594024137	957691489	/nfs/dbraw/zinc/69/14/89/957691489.db2.gz	LZNLBXHISGPXQX-NEPJUHHUSA-N	-1	0	319.365	0.853	20	30		DCEDRM
CC1(C)CC(NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001413889191	957789900	/nfs/dbraw/zinc/78/99/00/957789900.db2.gz	AQODMZUFJPHTEC-UHFFFAOYSA-N	-1	0	305.338	0.308	20	30		DCEDRM
C[C@@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)NC(=O)OC(C)(C)C	ZINC001413893159	957826427	/nfs/dbraw/zinc/82/64/27/957826427.db2.gz	LWHVDYKXJXCVAO-QMMMGPOBSA-N	-1	0	323.353	0.270	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000390904385	972306889	/nfs/dbraw/zinc/30/68/89/972306889.db2.gz	JTJCIBPHYGEHTO-CYBMUJFWSA-N	-1	0	317.345	0.510	20	30		DCEDRM
C#CC1(O)CN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1	ZINC001588386124	957976158	/nfs/dbraw/zinc/97/61/58/957976158.db2.gz	OFFYZSLTXKTPGV-QWHCGFSZSA-N	-1	0	300.314	0.689	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC001588386616	957980962	/nfs/dbraw/zinc/98/09/62/957980962.db2.gz	SPBXDYNWEPEKRN-OLZOCXBDSA-N	-1	0	306.362	0.714	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)Nc2nn(C)cc2C#N)cc1=O	ZINC001361453063	957982402	/nfs/dbraw/zinc/98/24/02/957982402.db2.gz	AIDPNBFUKBCNKF-UHFFFAOYSA-N	-1	0	302.338	0.619	20	30		DCEDRM
C#C[C@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C(C)(C)C	ZINC001588388203	957991199	/nfs/dbraw/zinc/99/11/99/957991199.db2.gz	PZCGMMWIBBAPNN-JTQLQIEISA-N	-1	0	315.391	0.430	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)NC[C@H](CC)C(=O)[O-])CC1	ZINC001341450071	958000786	/nfs/dbraw/zinc/00/07/86/958000786.db2.gz	KAJDKUCLRFHYOH-NSHDSACASA-N	-1	0	309.366	0.268	20	30		DCEDRM
C#CCN(CC#CC)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588395732	958044665	/nfs/dbraw/zinc/04/46/65/958044665.db2.gz	QFDGPAYHVBXOOO-ZDUSSCGKSA-N	-1	0	319.361	0.120	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1sc(CCC)nc1C	ZINC001588397552	958058887	/nfs/dbraw/zinc/05/88/87/958058887.db2.gz	LWTQBLIYSCKYHI-UHFFFAOYSA-N	-1	0	323.374	0.889	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCN1C(=O)COc2ccccc21	ZINC001588402363	958091970	/nfs/dbraw/zinc/09/19/70/958091970.db2.gz	RZMWXQDBDKKPPZ-UHFFFAOYSA-N	-1	0	316.313	0.349	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cccc(C(=O)NCC)c1	ZINC001588408953	958121454	/nfs/dbraw/zinc/12/14/54/958121454.db2.gz	OGIXPGTVKODGMW-UHFFFAOYSA-N	-1	0	317.345	0.666	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1cn2c(n1)CCCC2	ZINC001588408954	958121606	/nfs/dbraw/zinc/12/16/06/958121606.db2.gz	OGVHRUVVRIFKSU-UHFFFAOYSA-N	-1	0	304.350	0.491	20	30		DCEDRM
COc1cccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001361598234	958121901	/nfs/dbraw/zinc/12/19/01/958121901.db2.gz	JMYDEHKRRDNQJO-UHFFFAOYSA-N	-1	0	314.301	0.146	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](CCOC)Cc1ccco1	ZINC001588410490	958140356	/nfs/dbraw/zinc/14/03/56/958140356.db2.gz	VVSMUUYLGYPCST-LBPRGKRZSA-N	-1	0	308.334	0.957	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc2c([nH]c1=O)CCCC2=O	ZINC001588416793	958165833	/nfs/dbraw/zinc/16/58/33/958165833.db2.gz	ULVILGBCEREQSV-UHFFFAOYSA-N	-1	0	302.286	0.466	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)N[C@@H](C)CC(=O)N2	ZINC001588419021	958189147	/nfs/dbraw/zinc/18/91/47/958189147.db2.gz	MKVFYYGHPQBBHJ-JTQLQIEISA-N	-1	0	315.329	0.989	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)N1CCc2ccccc2C1	ZINC001588420206	958202362	/nfs/dbraw/zinc/20/23/62/958202362.db2.gz	QJOXDSDWOWQOGU-CYBMUJFWSA-N	-1	0	300.358	0.980	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1	ZINC001588420283	958202789	/nfs/dbraw/zinc/20/27/89/958202789.db2.gz	UFSGXVZHNGNOQC-SNVBAGLBSA-N	-1	0	303.318	0.132	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCCC(=O)[O-]	ZINC001594075161	958213761	/nfs/dbraw/zinc/21/37/61/958213761.db2.gz	PXRGAJWFELFXEZ-UHFFFAOYSA-N	-1	0	319.317	0.829	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnc3cccnc3c2)n1C	ZINC001588426246	958227741	/nfs/dbraw/zinc/22/77/41/958227741.db2.gz	CMPUJQMBXPBEGO-UHFFFAOYSA-N	-1	0	322.328	0.950	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2C[C@@H]2C#N)n1CCOC	ZINC001588426961	958237123	/nfs/dbraw/zinc/23/71/23/958237123.db2.gz	IDEDLGYNYLJHLE-GHMZBOCLSA-N	-1	0	303.322	0.076	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)CC)n1C[C@@H]1CCCO1	ZINC001588427169	958241425	/nfs/dbraw/zinc/24/14/25/958241425.db2.gz	PGBQEFVIWKJSKJ-NWDGAFQWSA-N	-1	0	322.365	0.425	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCC[C@H](CO)C2)n1C	ZINC001588427306	958243151	/nfs/dbraw/zinc/24/31/51/958243151.db2.gz	SPFUKLDAGUMUIR-NWDGAFQWSA-N	-1	0	306.366	0.605	20	30		DCEDRM
C#CCOc1cc(F)ccc1NCCS(=O)(=O)CC(=O)[O-]	ZINC001588433078	958290684	/nfs/dbraw/zinc/29/06/84/958290684.db2.gz	CXFNQYCSXIMIJK-UHFFFAOYSA-N	-1	0	315.322	0.749	20	30		DCEDRM
N#CC[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)c1ccccc1	ZINC001361786729	958329719	/nfs/dbraw/zinc/32/97/19/958329719.db2.gz	ZEQBHQXOHXRZBY-QWHCGFSZSA-N	-1	0	312.333	0.797	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1CCOC	ZINC001588452016	958416890	/nfs/dbraw/zinc/41/68/90/958416890.db2.gz	HDZAOCXOHTYJHL-WDEREUQCSA-N	-1	0	310.354	0.445	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001588453205	958433774	/nfs/dbraw/zinc/43/37/74/958433774.db2.gz	RQXJVWIZULEQKQ-NSHDSACASA-N	-1	0	306.318	0.685	20	30		DCEDRM
C=CCONC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001588466408	958511959	/nfs/dbraw/zinc/51/19/59/958511959.db2.gz	OLWQSQICKKZTJF-XIRUVYRFSA-N	-1	0	312.322	0.399	20	30		DCEDRM
C=CCOCCNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588466542	958515122	/nfs/dbraw/zinc/51/51/22/958515122.db2.gz	YQWCHSFMNMKYCM-AVERBVTBSA-N	-1	0	312.366	0.901	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001588469793	958519623	/nfs/dbraw/zinc/51/96/23/958519623.db2.gz	UOXXAEZRLJAAKX-ONEGZZNKSA-N	-1	0	313.331	0.708	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)C(=O)OC	ZINC001573337625	958525344	/nfs/dbraw/zinc/52/53/44/958525344.db2.gz	SWNYMDJEUFMDQE-UWVGGRQHSA-N	-1	0	301.339	0.594	20	30		DCEDRM
C=CCn1c([C@H]2CCNC(=O)C2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588471912	958537302	/nfs/dbraw/zinc/53/73/02/958537302.db2.gz	FZNDFXLNBKTNJN-WDEREUQCSA-N	-1	0	319.365	0.369	20	30		DCEDRM
C=CCn1c([C@@H]2CCNC(=O)C2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588471910	958537384	/nfs/dbraw/zinc/53/73/84/958537384.db2.gz	FZNDFXLNBKTNJN-MNOVXSKESA-N	-1	0	319.365	0.369	20	30		DCEDRM
C=CCn1c([C@@H](O)COC)nnc1N1CCC(C)(C(=O)[O-])CC1	ZINC001588471987	958538657	/nfs/dbraw/zinc/53/86/57/958538657.db2.gz	HEXADCXAOBCRJB-NSHDSACASA-N	-1	0	324.381	0.835	20	30		DCEDRM
C=CCn1c([C@@H](C)O)nnc1N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588474647	958556571	/nfs/dbraw/zinc/55/65/71/958556571.db2.gz	LTHVYIUOZXCSKI-QMTHXVAHSA-N	-1	0	310.354	0.445	20	30		DCEDRM
C[C@@H](c1ccccn1)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361981741	958567548	/nfs/dbraw/zinc/56/75/48/958567548.db2.gz	PVCXKTOLDCUCGM-JTQLQIEISA-N	-1	0	313.317	0.435	20	30		DCEDRM
C=CCN(CCC#N)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC001298467956	958612278	/nfs/dbraw/zinc/61/22/78/958612278.db2.gz	ONRPPFVIPXGQAP-UHFFFAOYSA-N	-1	0	309.347	0.581	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC[C@@H]1CCCS1(=O)=O	ZINC001573364585	958615734	/nfs/dbraw/zinc/61/57/34/958615734.db2.gz	PLKVHFAOMTVMDU-JOYOIKCWSA-N	-1	0	302.352	0.074	20	30		DCEDRM
COc1ccc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001362023435	958621763	/nfs/dbraw/zinc/62/17/63/958621763.db2.gz	XLGSDINPNZVRBJ-UHFFFAOYSA-N	-1	0	314.301	0.858	20	30		DCEDRM
CCN(CCC#N)C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001362082137	958708358	/nfs/dbraw/zinc/70/83/58/958708358.db2.gz	YGBGLHKUBJSBLX-UHFFFAOYSA-N	-1	0	314.349	0.948	20	30		DCEDRM
CCNC(=O)N1CC[C@@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362083610	958709138	/nfs/dbraw/zinc/70/91/38/958709138.db2.gz	QKRFZKBKJYKNFB-LLVKDONJSA-N	-1	0	317.349	0.501	20	30		DCEDRM
N#CC1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CCSCC1	ZINC001362087297	958716578	/nfs/dbraw/zinc/71/65/78/958716578.db2.gz	FJJKZVPOMPMFOE-SECBINFHSA-N	-1	0	308.367	0.137	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCc3cccc(F)c32)c(=O)[n-]c1=O	ZINC001362101833	958742299	/nfs/dbraw/zinc/74/22/99/958742299.db2.gz	AVHWXLYKGASILJ-UHFFFAOYSA-N	-1	0	314.276	0.549	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCCS(=O)(=O)CC1	ZINC001362107858	958749928	/nfs/dbraw/zinc/74/99/28/958749928.db2.gz	DYYZFACCQQHJAP-UHFFFAOYSA-N	-1	0	309.347	0.228	20	30		DCEDRM
COc1cc(F)cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001362176324	958878222	/nfs/dbraw/zinc/87/82/22/958878222.db2.gz	FJVAWXIZIWOINR-UHFFFAOYSA-N	-1	0	318.264	0.607	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](CO)CC1CCOCC1	ZINC001588538785	958944777	/nfs/dbraw/zinc/94/47/77/958944777.db2.gz	NOLYLJJYHFZDLW-DOMZBBRYSA-N	-1	0	312.366	0.532	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nc(C(F)(F)F)no1	ZINC001588542154	958968823	/nfs/dbraw/zinc/96/88/23/958968823.db2.gz	SQSJPWNZMIHHEF-VIFPVBQESA-N	-1	0	306.200	0.709	20	30		DCEDRM
C[C@H](C#N)CN(C(=O)C(=O)Nc1cncc(C(=O)[O-])c1)C1CC1	ZINC001588544007	958987290	/nfs/dbraw/zinc/98/72/90/958987290.db2.gz	XMTSWJHUVQATNF-SECBINFHSA-N	-1	0	316.317	0.869	20	30		DCEDRM
C#CC[C@@H](NC(=O)CNC(=O)c1ccccc1Cl)C(=O)[O-]	ZINC000149844414	959028882	/nfs/dbraw/zinc/02/88/82/959028882.db2.gz	CGKUMCKHTBTZRI-LLVKDONJSA-N	-1	0	308.721	0.663	20	30		DCEDRM
C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)n1cnc(C#N)n1	ZINC001588551697	959029585	/nfs/dbraw/zinc/02/95/85/959029585.db2.gz	KZHGCIOHOREGAI-UFBFGSQYSA-N	-1	0	317.280	0.792	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(CC(N)=O)cc1	ZINC001588557722	959071374	/nfs/dbraw/zinc/07/13/74/959071374.db2.gz	KPVLCKOVNMUKHQ-HNNXBMFYSA-N	-1	0	303.318	0.335	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC[S@](=O)CC(F)(F)F	ZINC001588557719	959071566	/nfs/dbraw/zinc/07/15/66/959071566.db2.gz	KMWFWYPZKZPHMJ-YBYGRFCBSA-N	-1	0	314.285	0.418	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@@H]2CCC=CO2)c(=O)[n-]c1=O	ZINC001362352554	959194211	/nfs/dbraw/zinc/19/42/11/959194211.db2.gz	MNJIBQRWQMVOPT-NSHDSACASA-N	-1	0	304.306	0.020	20	30		DCEDRM
Cc1nc(C)n(C2CN(C(=O)c3[n-]c(=O)c(C#N)cc3C)C2)n1	ZINC001362431995	959344349	/nfs/dbraw/zinc/34/43/49/959344349.db2.gz	KDGNQCAFWBFRQU-UHFFFAOYSA-N	-1	0	312.333	0.873	20	30		DCEDRM
CC(C)(CCC#N)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362521091	959514149	/nfs/dbraw/zinc/51/41/49/959514149.db2.gz	UGOPWRSOZNJCAV-UHFFFAOYSA-N	-1	0	317.349	0.657	20	30		DCEDRM
CC(C)(C)[C@H](C#N)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588630968	959608977	/nfs/dbraw/zinc/60/89/77/959608977.db2.gz	UOVPAXFQOCVZRL-VIFPVBQESA-N	-1	0	316.379	0.320	20	30		DCEDRM
C[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001362580300	959639538	/nfs/dbraw/zinc/63/95/38/959639538.db2.gz	JIAKUFHELPRFNE-ZCFIWIBFSA-N	-1	0	304.228	0.278	20	30		DCEDRM
CC(C)(NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCOCC1	ZINC001362587070	959649939	/nfs/dbraw/zinc/64/99/39/959649939.db2.gz	QBLRTGNAAAHEID-UHFFFAOYSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C[C@H]1CCC[C@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362691517	959837995	/nfs/dbraw/zinc/83/79/95/959837995.db2.gz	YDIQISDTQOSCSZ-QWRGUYRKSA-N	-1	0	304.350	0.763	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CCc2cncs2)c(=O)[n-]c1=O	ZINC001362691480	959838283	/nfs/dbraw/zinc/83/82/83/959838283.db2.gz	XTYVLIGFWJQYED-UHFFFAOYSA-N	-1	0	319.346	0.026	20	30		DCEDRM
C[C@@H]1CCC[C@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362691515	959839689	/nfs/dbraw/zinc/83/96/89/959839689.db2.gz	YDIQISDTQOSCSZ-MNOVXSKESA-N	-1	0	304.350	0.763	20	30		DCEDRM
Cc1scc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1C	ZINC001362756158	959938748	/nfs/dbraw/zinc/93/87/48/959938748.db2.gz	CNFLKJRXHZASSP-UHFFFAOYSA-N	-1	0	318.358	0.815	20	30		DCEDRM
C[C@@H]1CCC[C@@H](C)C1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362876973	960121630	/nfs/dbraw/zinc/12/16/30/960121630.db2.gz	KYPHFWBCQLMXLK-NXEZZACHSA-N	-1	0	304.350	0.761	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCOc2ccc(F)cc2)c(C#N)c1=O	ZINC001306927458	960139397	/nfs/dbraw/zinc/13/93/97/960139397.db2.gz	DBPMWROJRKZZCH-UHFFFAOYSA-N	-1	0	304.281	0.575	20	30		DCEDRM
CC(=O)C[C@@H]1COCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362893346	960141751	/nfs/dbraw/zinc/14/17/51/960141751.db2.gz	OCYJPZDYKQAALN-GFCCVEGCSA-N	-1	0	303.318	0.787	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1c(C)cc(F)cc1C#N	ZINC001309645842	960204258	/nfs/dbraw/zinc/20/42/58/960204258.db2.gz	ANDAHDCDBPBCHK-UHFFFAOYSA-N	-1	0	315.326	0.352	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2(C(F)(F)F)CC2)c(=O)[n-]c1=O	ZINC001362982234	960256510	/nfs/dbraw/zinc/25/65/10/960256510.db2.gz	TWBXPZKNZVNKMG-UHFFFAOYSA-N	-1	0	302.212	0.032	20	30		DCEDRM
CO[C@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001363005639	960286973	/nfs/dbraw/zinc/28/69/73/960286973.db2.gz	TVOMPPQIINVLAX-LBPRGKRZSA-N	-1	0	320.349	0.142	20	30		DCEDRM
CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H]1CCC[C@H]1C#N	ZINC001363128604	960444029	/nfs/dbraw/zinc/44/40/29/960444029.db2.gz	IBKSTYCABIJMGD-ONGXEEELSA-N	-1	0	300.322	0.222	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)cn1	ZINC001574249956	960505740	/nfs/dbraw/zinc/50/57/40/960505740.db2.gz	OSRUEOGDEBZRCX-UONOGXRCSA-N	-1	0	314.345	0.713	20	30		DCEDRM
CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588670338	960507008	/nfs/dbraw/zinc/50/70/08/960507008.db2.gz	SQUMOZVGUBFFMS-KGLIPLIRSA-N	-1	0	314.338	0.200	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC001574250209	960507624	/nfs/dbraw/zinc/50/76/24/960507624.db2.gz	VOPJIKOHOHTROS-MJBXVCDLSA-N	-1	0	300.314	0.974	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@H](C2CC2)C2CCC2)c(=O)[n-]c1=O	ZINC001363185780	960556661	/nfs/dbraw/zinc/55/66/61/960556661.db2.gz	UIVQATIMYLHSND-AWEZNQCLSA-N	-1	0	316.361	0.906	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H](C#N)C1	ZINC001588677769	960570138	/nfs/dbraw/zinc/57/01/38/960570138.db2.gz	MFSMCCYSONJWNP-UWVGGRQHSA-N	-1	0	323.349	0.726	20	30		DCEDRM
N#Cc1c(F)cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1F	ZINC001363205363	960601562	/nfs/dbraw/zinc/60/15/62/960601562.db2.gz	SBYXDPRLERKBLR-LLVKDONJSA-N	-1	0	320.259	0.563	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001604121908	972521804	/nfs/dbraw/zinc/52/18/04/972521804.db2.gz	WKZOLRGLDKFOGU-NWDGAFQWSA-N	-1	0	321.377	0.564	20	30		DCEDRM
CC1(C(=O)CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001363234764	960669553	/nfs/dbraw/zinc/66/95/53/960669553.db2.gz	KXTXOBBADZLHNU-UHFFFAOYSA-N	-1	0	318.333	0.086	20	30		DCEDRM
N#CCc1ccc(CNC(=O)CSc2n[nH]c(=O)[n-]2)cc1	ZINC001363575606	961476620	/nfs/dbraw/zinc/47/66/20/961476620.db2.gz	MIPUCOIDDYVEEI-UHFFFAOYSA-N	-1	0	303.347	0.985	20	30		DCEDRM
N#C[C@]1(C(=O)NCCn2cc(C(=O)[O-])nn2)CC2CCC1CC2	ZINC001571132861	961576306	/nfs/dbraw/zinc/57/63/06/961576306.db2.gz	BASXDDPCHNJHCW-QKFMDRJYSA-N	-1	0	317.349	0.813	20	30		DCEDRM
N#Cc1sccc1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001571133564	961596287	/nfs/dbraw/zinc/59/62/87/961596287.db2.gz	TXEZHKIQKVQIFP-QMMMGPOBSA-N	-1	0	317.330	0.997	20	30		DCEDRM
Cc1noc(C2CCN(c3[n-]c(=O)n(C)c(=O)c3C#N)CC2)n1	ZINC001363721501	961759849	/nfs/dbraw/zinc/75/98/49/961759849.db2.gz	PNYKVRSUFZRBEU-UHFFFAOYSA-N	-1	0	316.321	0.021	20	30		DCEDRM
CN(C)c1noc(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001571152503	961814172	/nfs/dbraw/zinc/81/41/72/961814172.db2.gz	CPTITYCWGQWUNK-UHFFFAOYSA-N	-1	0	322.325	0.036	20	30		DCEDRM
C[C@H](O)C[C@@H]1COCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001363798052	961910174	/nfs/dbraw/zinc/91/01/74/961910174.db2.gz	GNLFGYZRUNBLJM-GXFFZTMASA-N	-1	0	317.349	0.278	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001571166702	962003339	/nfs/dbraw/zinc/00/33/39/962003339.db2.gz	ZLMUTSHKKZHDEV-VXGBXAGGSA-N	-1	0	324.358	0.323	20	30		DCEDRM
CC[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H](CC)CO1	ZINC001363871626	962057629	/nfs/dbraw/zinc/05/76/29/962057629.db2.gz	IOSOKIYZVFENEK-VXGBXAGGSA-N	-1	0	320.349	0.237	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])c1cc(C#N)ccc1[N+](=O)[O-]	ZINC001574061355	962206539	/nfs/dbraw/zinc/20/65/39/962206539.db2.gz	IIHHRXNDDAIEHP-UHFFFAOYSA-N	-1	0	307.262	0.921	20	30		DCEDRM
C[C@H]1CCC[C@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)O1	ZINC001364045355	962359781	/nfs/dbraw/zinc/35/97/81/962359781.db2.gz	OWGBCYUGESHUMC-CMPLNLGQSA-N	-1	0	320.349	0.284	20	30		DCEDRM
Cc1nc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c(C)s1	ZINC001364110335	962487799	/nfs/dbraw/zinc/48/77/99/962487799.db2.gz	YHCLGGAFGCFJKR-UHFFFAOYSA-N	-1	0	319.346	0.324	20	30		DCEDRM
COC(=O)C(F)(F)C[N-]S(=O)(=O)Cc1csc(C#N)c1	ZINC001364119566	962508604	/nfs/dbraw/zinc/50/86/04/962508604.db2.gz	AGSLGZAVKKARSR-UHFFFAOYSA-N	-1	0	324.330	0.847	20	30		DCEDRM
C#CCCCCCC(=O)NCC1CN(C(=O)CNC(=O)[O-])C1	ZINC001573302093	962644861	/nfs/dbraw/zinc/64/48/61/962644861.db2.gz	QCACTJIFJYERHK-UHFFFAOYSA-N	-1	0	309.366	0.412	20	30		DCEDRM
C#CCCCC(=O)NCC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573302844	962662912	/nfs/dbraw/zinc/66/29/12/962662912.db2.gz	GTBLFMSJSOGLQJ-KBPBESRZSA-N	-1	0	320.389	0.865	20	30		DCEDRM
C#CCNC(=O)c1ccccc1NC(=O)c1cc(C(=O)[O-])on1	ZINC001573311451	962703585	/nfs/dbraw/zinc/70/35/85/962703585.db2.gz	QRUYCUPSNZUAIJ-UHFFFAOYSA-N	-1	0	313.269	0.988	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)CNC(=O)[O-])cc1	ZINC001573311889	962715994	/nfs/dbraw/zinc/71/59/94/962715994.db2.gz	IRGCRJYKNRLUDL-MNOVXSKESA-N	-1	0	317.345	0.559	20	30		DCEDRM
CC(C)n1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c(=O)[nH]c1=O	ZINC001588981041	962725035	/nfs/dbraw/zinc/72/50/35/962725035.db2.gz	USLGGJNPEOUQQT-AWEZNQCLSA-N	-1	0	322.321	0.151	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCc2ccc(S(N)(=O)=O)cc21	ZINC001573332741	962840918	/nfs/dbraw/zinc/84/09/18/962840918.db2.gz	REHHWJXYBXQQCJ-UHFFFAOYSA-N	-1	0	324.358	0.644	20	30		DCEDRM
C=C(Cl)CN1CC2(C1)CCN(C(=O)CNC(=O)[O-])CC2	ZINC001573339080	962887664	/nfs/dbraw/zinc/88/76/64/962887664.db2.gz	OGWLOTWPLLNIBK-UHFFFAOYSA-N	-1	0	301.774	0.931	20	30		DCEDRM
C=C(Cl)CN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])CCO2	ZINC001573339339	962889236	/nfs/dbraw/zinc/88/92/36/962889236.db2.gz	QRCZXNJDRSJLKM-GHMZBOCLSA-N	-1	0	314.769	0.373	20	30		DCEDRM
C=C1CCC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CC1	ZINC001573344113	962912657	/nfs/dbraw/zinc/91/26/57/962912657.db2.gz	OTAHTDRDZRUMDG-SMDDNHRTSA-N	-1	0	315.391	0.737	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)C[C@H](OC)c1ccccc1)C(=O)[O-]	ZINC000296822072	962918070	/nfs/dbraw/zinc/91/80/70/962918070.db2.gz	CVDLFBXEVZVLSC-STQMWFEESA-N	-1	0	311.359	0.770	20	30		DCEDRM
C=CCOCCCC(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573368666	963084476	/nfs/dbraw/zinc/08/44/76/963084476.db2.gz	JLNYQXYPHQCJKF-STQMWFEESA-N	-1	0	324.377	0.359	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001573369748	963101549	/nfs/dbraw/zinc/10/15/49/963101549.db2.gz	ZEKACEQBRRUKOE-LBPRGKRZSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=C(C)Cn1c(C[S@](C)=O)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588443413	964060796	/nfs/dbraw/zinc/06/07/96/964060796.db2.gz	PVHLFZLGNUNOES-CWKPULSASA-N	-1	0	312.395	0.644	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001373231194	968829223	/nfs/dbraw/zinc/82/92/23/968829223.db2.gz	TZEIYYWICYXXKN-ONGXEEELSA-N	-1	0	319.365	0.646	20	30		DCEDRM
CC(=NNCCC(=O)[O-])c1cc(S(N)(=O)=O)c(C)cc1C	ZINC001609645867	970435214	/nfs/dbraw/zinc/43/52/14/970435214.db2.gz	XMLXARLYAZJNAS-UHFFFAOYSA-N	-1	0	313.379	0.739	20	30		DCEDRM
CC(C)CN1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H](C)C1=O	ZINC001609805894	970537628	/nfs/dbraw/zinc/53/76/28/970537628.db2.gz	XNMHDMAGVBJZAN-IAQYHMDHSA-N	-1	0	309.366	0.706	20	30		DCEDRM
C=CCC[C@H](CO)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000320075927	970610614	/nfs/dbraw/zinc/61/06/14/970610614.db2.gz	ATZILAVJZJDXPP-SSDOTTSWSA-N	-1	0	306.365	0.447	20	30		DCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCN1CC(C)(C)O	ZINC001610090558	970662532	/nfs/dbraw/zinc/66/25/32/970662532.db2.gz	JDTPBBVKHIKMLP-IAQYHMDHSA-N	-1	0	311.382	0.295	20	30		DCEDRM
Cc1c(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cnn1CCC#N	ZINC001605076888	972708509	/nfs/dbraw/zinc/70/85/09/972708509.db2.gz	JDJHJPPSJDWLCV-IAQYHMDHSA-N	-1	0	318.333	0.278	20	30		DCEDRM
Cn1c(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])nnc1C1CCC1	ZINC001605466837	973565429	/nfs/dbraw/zinc/56/54/29/973565429.db2.gz	ZDENXAWKTAHOFF-CQSZACIVSA-N	-1	0	305.338	0.703	20	30		DCEDRM
N#CCC1(CNS(=O)(=O)c2scnc2C(=O)[O-])CC1	ZINC000404110955	973703874	/nfs/dbraw/zinc/70/38/74/973703874.db2.gz	IUUSEFDHTHOENE-UHFFFAOYSA-N	-1	0	301.349	0.813	20	30		DCEDRM
N#CCN1CCC(OC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CC1	ZINC001605586342	973881010	/nfs/dbraw/zinc/88/10/10/973881010.db2.gz	UFOCYBLPBNFGRV-AAEUAGOBSA-N	-1	0	310.350	0.787	20	30		DCEDRM
N#Cc1cccc(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c1	ZINC001605617857	973938510	/nfs/dbraw/zinc/93/85/10/973938510.db2.gz	YSRWTNHBZLILKP-ZDUSSCGKSA-N	-1	0	315.329	0.498	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000717771205	977917430	/nfs/dbraw/zinc/91/74/30/977917430.db2.gz	WWVHEDJEJHSRSB-VIFPVBQESA-N	-1	0	301.295	0.186	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001522976806	1014500342	/nfs/dbraw/zinc/50/03/42/1014500342.db2.gz	VCPPCVWZTXWLMP-SECBINFHSA-N	-1	0	323.353	0.121	20	30		DCEDRM
CCCCCCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001595704342	982274319	/nfs/dbraw/zinc/27/43/19/982274319.db2.gz	GGYFACAGCOFHJQ-NEPJUHHUSA-N	-1	0	314.382	0.367	20	30		DCEDRM
CC[C@@H](C)N(CC(=O)[O-])C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001594972503	982743530	/nfs/dbraw/zinc/74/35/30/982743530.db2.gz	WAWKTIQEVTYLJP-ZEIZSXSISA-N	-1	0	323.349	0.615	20	30		DCEDRM
C#C[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(=O)NC	ZINC001588368388	983305567	/nfs/dbraw/zinc/30/55/67/983305567.db2.gz	LUUSKYBPDZJCGC-VIFPVBQESA-N	-1	0	319.317	0.653	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCSC[C@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC001588372507	983331675	/nfs/dbraw/zinc/33/16/75/983331675.db2.gz	MCQBGQGEPAOSCN-WOPDTQHZSA-N	-1	0	312.391	0.626	20	30		DCEDRM
C#CC1(O)CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2C)CC1	ZINC001588379356	983363694	/nfs/dbraw/zinc/36/36/94/983363694.db2.gz	FUXMNXZGGSUJSH-UHFFFAOYSA-N	-1	0	323.370	0.842	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)C1	ZINC001588381839	983367624	/nfs/dbraw/zinc/36/76/24/983367624.db2.gz	BNOMMDUZEYXYRK-VMPITWQZSA-N	-1	0	307.327	0.153	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1	ZINC001588382440	983371807	/nfs/dbraw/zinc/37/18/07/983371807.db2.gz	OZFPEKDASFIMKD-AHIWAGSCSA-N	-1	0	318.373	0.714	20	30		DCEDRM
C#C[C@H]1COCCN1CN1Cc2ccc(C(=O)[O-])cc2C1=O	ZINC001588383934	983385975	/nfs/dbraw/zinc/38/59/75/983385975.db2.gz	PSZBGKOMOAMXEF-ZDUSSCGKSA-N	-1	0	300.314	0.632	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC001588384092	983386739	/nfs/dbraw/zinc/38/67/39/983386739.db2.gz	VFYQFCUGPCRPPU-NSHDSACASA-N	-1	0	309.343	0.716	20	30		DCEDRM
C#CC[C@H](CCOC)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001588393311	983397799	/nfs/dbraw/zinc/39/77/99/983397799.db2.gz	FQKKPOZLXGDSHL-SECBINFHSA-N	-1	0	315.351	0.123	20	30		DCEDRM
C#CC[C@H](NC(=O)CNC(=O)c1cccc(OC)c1)C(=O)[O-]	ZINC001588405367	983421229	/nfs/dbraw/zinc/42/12/29/983421229.db2.gz	MMPGAZNFGDHLOL-LBPRGKRZSA-N	-1	0	304.302	0.018	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)C(=O)[O-]	ZINC001588407753	983428968	/nfs/dbraw/zinc/42/89/68/983428968.db2.gz	OCORCPBWGFQPCE-UPJWGTAASA-N	-1	0	306.362	0.760	20	30		DCEDRM
C#CC[C@H](NC(=O)c1[nH]nc(CC)c1Br)C(=O)[O-]	ZINC001588413857	983432427	/nfs/dbraw/zinc/43/24/27/983432427.db2.gz	JTXOSOLZAMVDFW-ZETCQYMHSA-N	-1	0	314.139	0.941	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001588414269	983433766	/nfs/dbraw/zinc/43/37/66/983433766.db2.gz	QBXZWQQNQOKKJP-SECBINFHSA-N	-1	0	310.237	0.949	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)C(=O)[O-]	ZINC001588424019	983454514	/nfs/dbraw/zinc/45/45/14/983454514.db2.gz	RAOODFYKYQNTPW-SNVBAGLBSA-N	-1	0	323.286	0.221	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)C[C@H]1CCC2(CCC2)O1)C(=O)[O-]	ZINC001588424406	983455328	/nfs/dbraw/zinc/45/53/28/983455328.db2.gz	WMEYJHSXOLDHBX-GHMZBOCLSA-N	-1	0	301.364	0.484	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1)C(=O)[O-]	ZINC001588424554	983455979	/nfs/dbraw/zinc/45/59/79/983455979.db2.gz	WVTOGSDBULMARS-SRVKXCTJSA-N	-1	0	301.364	0.340	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(=O)[O-]	ZINC001588424680	983456484	/nfs/dbraw/zinc/45/64/84/983456484.db2.gz	YZLCFTDWJQFSFD-SSDOTTSWSA-N	-1	0	318.332	0.720	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc2c1O[C@H](C)C2)C(=O)[O-]	ZINC001588428540	983462498	/nfs/dbraw/zinc/46/24/98/983462498.db2.gz	RZDQJFQGZYGRPY-MWLCHTKSSA-N	-1	0	309.343	0.765	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])C1	ZINC001588430660	983463857	/nfs/dbraw/zinc/46/38/57/983463857.db2.gz	ANCDZYOAVKWHBV-QWHCGFSZSA-N	-1	0	306.362	0.714	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001588461274	983489607	/nfs/dbraw/zinc/48/96/07/983489607.db2.gz	KEMKVGVXUOGGJM-UHFFFAOYSA-N	-1	0	304.258	0.144	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC001588464860	983494950	/nfs/dbraw/zinc/49/49/50/983494950.db2.gz	PWGHFJYKDAITOW-CQSZACIVSA-N	-1	0	318.373	0.575	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588465939	983497521	/nfs/dbraw/zinc/49/75/21/983497521.db2.gz	OEGHBCGOGJKXHK-GHMZBOCLSA-N	-1	0	310.350	0.694	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1	ZINC001588475756	983509050	/nfs/dbraw/zinc/50/90/50/983509050.db2.gz	HKLLOGYDOJLGGC-XEZPLFJOSA-N	-1	0	307.394	0.836	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)NCc2ccc(C(=O)[O-])o2)C1	ZINC001588477346	983515708	/nfs/dbraw/zinc/51/57/08/983515708.db2.gz	YXOZIHQRRNJNBV-LLVKDONJSA-N	-1	0	305.334	0.875	20	30		DCEDRM
C#CCOCCNC(=O)c1ccc(OCC(=O)[O-])c(OCC)c1	ZINC001588491505	983536376	/nfs/dbraw/zinc/53/63/76/983536376.db2.gz	OHVQKJHLQXCHDD-UHFFFAOYSA-N	-1	0	321.329	0.928	20	30		DCEDRM
C#Cc1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC001588510358	983555465	/nfs/dbraw/zinc/55/54/65/983555465.db2.gz	BEKDTXJYJUYFMJ-CHWSQXEVSA-N	-1	0	300.314	0.235	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)Cc2cc(C(=O)[O-])no2)n1	ZINC001588511541	983560227	/nfs/dbraw/zinc/56/02/27/983560227.db2.gz	ZWSYXIVQJXTCTB-UHFFFAOYSA-N	-1	0	318.333	0.851	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])cc1	ZINC001588517652	983566179	/nfs/dbraw/zinc/56/61/79/983566179.db2.gz	DLWDCRQRJIORGE-JSGCOSHPSA-N	-1	0	323.370	0.969	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1	ZINC001588529903	983582722	/nfs/dbraw/zinc/58/27/22/983582722.db2.gz	KUVAFDXRKCQJGN-NSHDSACASA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-]	ZINC001588542445	983608479	/nfs/dbraw/zinc/60/84/79/983608479.db2.gz	HSIUPLMJJROWPD-ZDUSSCGKSA-N	-1	0	315.333	0.740	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1cc(N2CCOCC2)ncn1)C(=O)[O-]	ZINC001588546394	983615239	/nfs/dbraw/zinc/61/52/39/983615239.db2.gz	IYTJKXQUHZZQCT-LBPRGKRZSA-N	-1	0	320.349	0.462	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC001596231793	983627396	/nfs/dbraw/zinc/62/73/96/983627396.db2.gz	UFVMWUYYYWKSGD-MJDLHHQISA-N	-1	0	315.395	0.412	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)C1(C(=O)OC)CCC1)C(=O)[O-]	ZINC001588553691	983628508	/nfs/dbraw/zinc/62/85/08/983628508.db2.gz	PWDYPUFABDQPGN-VIFPVBQESA-N	-1	0	305.352	0.421	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccnn1COC)C(=O)[O-]	ZINC001588555737	983636925	/nfs/dbraw/zinc/63/69/25/983636925.db2.gz	QHHDNMAVADSVFT-VIFPVBQESA-N	-1	0	303.340	0.185	20	30		DCEDRM
C=C(C)Cn1c([C@H](C)O)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588598976	983687369	/nfs/dbraw/zinc/68/73/69/983687369.db2.gz	BOVYYZBHQNIYMB-DCAQKATOSA-N	-1	0	310.354	0.586	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1	ZINC001588599207	983688662	/nfs/dbraw/zinc/68/86/62/983688662.db2.gz	IMPHBAHACYRTSV-NRUUGDAUSA-N	-1	0	309.322	0.948	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](CS(C)(=O)=O)C1	ZINC001588613924	983705453	/nfs/dbraw/zinc/70/54/53/983705453.db2.gz	HERNPBGSVKRJLA-NSHDSACASA-N	-1	0	303.380	0.691	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(CCC(=O)OC)[C@H](C)C1	ZINC001588615451	983712211	/nfs/dbraw/zinc/71/22/11/983712211.db2.gz	UTIKEWHLEJNUGC-GFCCVEGCSA-N	-1	0	312.366	0.503	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nc2c(c(=O)[nH]1)COCC2	ZINC001588630279	983742724	/nfs/dbraw/zinc/74/27/24/983742724.db2.gz	WHBQNAYHNZPVTK-UHFFFAOYSA-N	-1	0	307.306	0.292	20	30		DCEDRM
C=C(Cl)Cn1nnnc1N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588643705	983767247	/nfs/dbraw/zinc/76/72/47/983767247.db2.gz	SDWCHQDGWIVXCR-JOYOIKCWSA-N	-1	0	313.745	0.353	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cncc(C#N)n1	ZINC001596333176	983771779	/nfs/dbraw/zinc/77/17/79/983771779.db2.gz	NSIBFEBGHKJKNJ-GHMZBOCLSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CCN(CCNc1cc(C)ncc1C#N)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001596339426	983784073	/nfs/dbraw/zinc/78/40/73/983784073.db2.gz	KKLFTRFWXKXJSJ-STQMWFEESA-N	-1	0	316.361	0.665	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(CC(=O)N2CCCC[C@H]2C)CC1	ZINC001588669403	983812465	/nfs/dbraw/zinc/81/24/65/983812465.db2.gz	KOJDNAAPOCFNIJ-KGLIPLIRSA-N	-1	0	309.410	0.644	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588683839	983852405	/nfs/dbraw/zinc/85/24/05/983852405.db2.gz	FTGUKUMZDVEKRV-ZBFHGGJFSA-N	-1	0	311.378	0.922	20	30		DCEDRM
C=CC[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-])c1ccncc1	ZINC001588742551	984033530	/nfs/dbraw/zinc/03/35/30/984033530.db2.gz	GGGOLJUIPAMLLF-UPJWGTAASA-N	-1	0	317.345	0.652	20	30		DCEDRM
C=CCC(F)(F)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC001588743026	984035801	/nfs/dbraw/zinc/03/58/01/984035801.db2.gz	PYOCMLJXECLYBC-MRVPVSSYSA-N	-1	0	311.306	0.298	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1cc(OC)ccc1C(=O)[O-]	ZINC001588743658	984038475	/nfs/dbraw/zinc/03/84/75/984038475.db2.gz	BJHPCLUYDPOFBV-SECBINFHSA-N	-1	0	315.347	0.609	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC001588745040	984048127	/nfs/dbraw/zinc/04/81/27/984048127.db2.gz	UEIAGPGFNQJPSM-ZDUSSCGKSA-N	-1	0	320.345	0.696	20	30		DCEDRM
C=CC[C@@H](OC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-]	ZINC001588755810	984095756	/nfs/dbraw/zinc/09/57/56/984095756.db2.gz	DJUCRCARHGUWJL-GFCCVEGCSA-N	-1	0	302.286	0.969	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1	ZINC001588769174	984132881	/nfs/dbraw/zinc/13/28/81/984132881.db2.gz	ONTFKCUABNPNRN-GFCCVEGCSA-N	-1	0	324.377	0.239	20	30		DCEDRM
C=CCCC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588774118	984150833	/nfs/dbraw/zinc/15/08/33/984150833.db2.gz	UCAOXLQOJAUOHY-OLZOCXBDSA-N	-1	0	306.362	0.948	20	30		DCEDRM
C=CCC[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C(=O)OCC	ZINC001588778822	984163011	/nfs/dbraw/zinc/16/30/11/984163011.db2.gz	MWGOPOQEVOGOEI-DDHJBXDOSA-N	-1	0	313.350	0.879	20	30		DCEDRM
C=CCCC[C@H](NC(=O)CNC(=O)c1ccncc1)C(=O)[O-]	ZINC001588788696	984192321	/nfs/dbraw/zinc/19/23/21/984192321.db2.gz	KOJHZJVRCDJELU-LBPRGKRZSA-N	-1	0	305.334	0.737	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCc2nnnn2CC1)C(=O)[O-]	ZINC001588790196	984204779	/nfs/dbraw/zinc/20/47/79/984204779.db2.gz	SJKMHJNNYYWWQP-QWRGUYRKSA-N	-1	0	307.354	0.551	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)Cn1ccc(C(=O)[O-])n1)C(=O)OC	ZINC001588794214	984225267	/nfs/dbraw/zinc/22/52/67/984225267.db2.gz	OKONTQSQIBAZAQ-LLVKDONJSA-N	-1	0	309.322	0.595	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588803801	984252505	/nfs/dbraw/zinc/25/25/05/984252505.db2.gz	LQIAKRFCTVQZKR-NXEZZACHSA-N	-1	0	305.352	0.088	20	30		DCEDRM
C=CCCn1cc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)nn1	ZINC001588817217	984275275	/nfs/dbraw/zinc/27/52/75/984275275.db2.gz	FNPDESKZYGRQGQ-WDEREUQCSA-N	-1	0	308.338	0.321	20	30		DCEDRM
C=CCCn1cc(CNS(=O)(=O)CCCC(=O)[O-])nn1	ZINC001588819888	984279395	/nfs/dbraw/zinc/27/93/95/984279395.db2.gz	GOBYVTKPFLAMNR-UHFFFAOYSA-N	-1	0	302.356	0.138	20	30		DCEDRM
C=CCCn1cc(CN2CC(n3cc(C(=O)[O-])nn3)C2)nn1	ZINC001588820099	984281372	/nfs/dbraw/zinc/28/13/72/984281372.db2.gz	QEIITMGBGYSRFH-UHFFFAOYSA-N	-1	0	303.326	0.201	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2cc(C(=O)[O-])ccn2)C1=O	ZINC001588836788	984329450	/nfs/dbraw/zinc/32/94/50/984329450.db2.gz	HWWOZWPWEDOSAF-LBPRGKRZSA-N	-1	0	303.318	0.639	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)CCc2ocnc2C(=O)[O-])C1=O	ZINC001588836992	984331814	/nfs/dbraw/zinc/33/18/14/984331814.db2.gz	NXOPBWSWPDVZTL-SNVBAGLBSA-N	-1	0	321.333	0.551	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCn1c(C)csc1=O)C(=O)[O-]	ZINC001588853591	984384316	/nfs/dbraw/zinc/38/43/16/984384316.db2.gz	BOZWZDARQOJQRX-SNVBAGLBSA-N	-1	0	314.363	0.380	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CNC(=O)Nc1ccccc1)C(=O)[O-]	ZINC001588854029	984387891	/nfs/dbraw/zinc/38/78/91/984387891.db2.gz	OCHUOSMCATWSEB-LBPRGKRZSA-N	-1	0	321.333	0.580	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CC(c2ccccn2)=NO1)C(=O)[O-]	ZINC001588856014	984396736	/nfs/dbraw/zinc/39/67/36/984396736.db2.gz	UIDIAHVRPWAHJX-CHWSQXEVSA-N	-1	0	319.317	0.347	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc2n(n1)CCC[C@H]2O)C(=O)[O-]	ZINC001588859568	984406524	/nfs/dbraw/zinc/40/65/24/984406524.db2.gz	QBXZWLKKNANOHX-ZYHUDNBSSA-N	-1	0	309.322	0.096	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(F)cc2n[nH]nc21)C(=O)[O-]	ZINC001588859707	984407592	/nfs/dbraw/zinc/40/75/92/984407592.db2.gz	UJNCINFCFMXKAE-JTQLQIEISA-N	-1	0	308.269	0.483	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)C(=O)OC	ZINC001588861053	984414106	/nfs/dbraw/zinc/41/41/06/984414106.db2.gz	ACBSIXNTEADMJS-NSHDSACASA-N	-1	0	308.290	0.254	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588866580	984426325	/nfs/dbraw/zinc/42/63/25/984426325.db2.gz	LIYGHONSZRIEFT-LPWJVIDDSA-N	-1	0	324.377	0.311	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)CC1(C)CCOCC1)C(=O)[O-]	ZINC001588866603	984426541	/nfs/dbraw/zinc/42/65/41/984426541.db2.gz	OXPQIBLGMUXVKS-NSHDSACASA-N	-1	0	321.395	0.378	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC001588867168	984430905	/nfs/dbraw/zinc/43/09/05/984430905.db2.gz	VJZDNZZKXOQRGS-SECBINFHSA-N	-1	0	316.360	0.554	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC001588878803	984455620	/nfs/dbraw/zinc/45/56/20/984455620.db2.gz	JQDAIYPTYLVJMB-AWEZNQCLSA-N	-1	0	314.407	0.735	20	30		DCEDRM
C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588896734	984504206	/nfs/dbraw/zinc/50/42/06/984504206.db2.gz	LAWHVLUDQRPMII-KKOKHZNYSA-N	-1	0	317.349	0.769	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588900184	984520002	/nfs/dbraw/zinc/52/00/02/984520002.db2.gz	CGPJPPBTWNEGOG-VWYCJHECSA-N	-1	0	310.354	0.066	20	30		DCEDRM
C=CCn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1C(C)(C)C#N	ZINC001588904776	984532496	/nfs/dbraw/zinc/53/24/96/984532496.db2.gz	BTTFJIKPGMERDI-SNVBAGLBSA-N	-1	0	305.338	0.555	20	30		DCEDRM
CC#CCCCC(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588924850	984583796	/nfs/dbraw/zinc/58/37/96/984583796.db2.gz	GDEFRLQETYIMPY-QWHCGFSZSA-N	-1	0	306.362	0.570	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC001588926307	984592663	/nfs/dbraw/zinc/59/26/63/984592663.db2.gz	QUIUVPZRMSKUMO-QMMMGPOBSA-N	-1	0	310.331	0.275	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)Cc1ccccc1CC#N)C(=O)[O-]	ZINC001599895720	984750504	/nfs/dbraw/zinc/75/05/04/984750504.db2.gz	FZSZSUDJHYMNBE-QWRGUYRKSA-N	-1	0	317.345	0.389	20	30		DCEDRM
CC(=NN[C@H]1CCCS(=O)(=O)C1)c1ncc(C(=O)[O-])s1	ZINC001589016853	984998318	/nfs/dbraw/zinc/99/83/18/984998318.db2.gz	MPZZTKGROHKRHT-QMMMGPOBSA-N	-1	0	317.392	0.732	20	30		DCEDRM
CC(=NN[C@@H](CO)c1ccccc1)c1cn(CC(=O)[O-])nn1	ZINC001589017137	985001611	/nfs/dbraw/zinc/00/16/11/985001611.db2.gz	ZQIINHPKICLKHV-ZDUSSCGKSA-N	-1	0	303.322	0.410	20	30		DCEDRM
C[C@H]1[C@@H](O)CCCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001599935821	985392648	/nfs/dbraw/zinc/39/26/48/985392648.db2.gz	QLUZWYQFJPYGAX-CABZTGNLSA-N	-1	0	324.358	0.790	20	30		DCEDRM
CO[N-]C(=O)CNS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC001475744698	1017147807	/nfs/dbraw/zinc/14/78/07/1017147807.db2.gz	DQTHXMGGUAVIHL-UHFFFAOYSA-N	-1	0	303.727	0.168	20	30		DCEDRM
C[C@H](C#N)C(=O)N(C)CCCN(C)c1ccnc(C(=O)[O-])n1	ZINC001589324104	986153180	/nfs/dbraw/zinc/15/31/80/986153180.db2.gz	VHTICLDMBPCQSK-SNVBAGLBSA-N	-1	0	305.338	0.619	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNc1ccnc(C(=O)[O-])n1	ZINC001589328540	986156531	/nfs/dbraw/zinc/15/65/31/986156531.db2.gz	BQULATUDRLPQDS-GHMZBOCLSA-N	-1	0	317.349	0.549	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001589330625	986175678	/nfs/dbraw/zinc/17/56/78/986175678.db2.gz	LDGWKPNJCGMWTI-GVXVVHGQSA-N	-1	0	315.395	0.509	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001589330876	986179215	/nfs/dbraw/zinc/17/92/15/986179215.db2.gz	TYXKLZMRFJHSEX-LURJTMIESA-N	-1	0	311.244	0.877	20	30		DCEDRM
C[C@H](C(=O)N[C@H](C(=O)[O-])c1cccs1)n1cnc(C#N)n1	ZINC001589378865	986450669	/nfs/dbraw/zinc/45/06/69/986450669.db2.gz	UMHBBIFPEWMFJV-XCBNKYQSSA-N	-1	0	305.319	0.714	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C[C@H]21	ZINC001589685253	987725442	/nfs/dbraw/zinc/72/54/42/987725442.db2.gz	WMGNBZRNCMAJJL-SSKLVLDBSA-N	-1	0	318.373	0.330	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C[C@H]1CC(=O)[O-]	ZINC001599849725	988992759	/nfs/dbraw/zinc/99/27/59/988992759.db2.gz	QUSNGQCMWCKOIV-IJLUTSLNSA-N	-1	0	307.350	0.318	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](CNC(=O)[C@@H](C)C#N)CC(C)C)c1[O-]	ZINC001391400409	990804509	/nfs/dbraw/zinc/80/45/09/990804509.db2.gz	ROYCWFNWSAFGIO-ONGXEEELSA-N	-1	0	321.381	0.844	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1	ZINC001598287228	991186114	/nfs/dbraw/zinc/18/61/14/991186114.db2.gz	DCPJMAASBPHJCE-UONOGXRCSA-N	-1	0	317.345	0.674	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1	ZINC001598287326	991187177	/nfs/dbraw/zinc/18/71/77/991187177.db2.gz	FZQFODVVLAWFIK-TZMCWYRMSA-N	-1	0	317.345	0.532	20	30		DCEDRM
CC(C)[C@@H](NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C(=O)[O-]	ZINC001591001638	991258859	/nfs/dbraw/zinc/25/88/59/991258859.db2.gz	UJNNEZMKRHRNKI-ZIAGYGMSSA-N	-1	0	301.346	0.970	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-]	ZINC001598468750	991991448	/nfs/dbraw/zinc/99/14/48/991991448.db2.gz	JFENFGTXYAHEDN-PWSUYJOCSA-N	-1	0	303.384	0.700	20	30		DCEDRM
CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)C#CC(C)(C)C	ZINC001598482554	992176091	/nfs/dbraw/zinc/17/60/91/992176091.db2.gz	DVTHBHJDDJECFI-UHFFFAOYSA-N	-1	0	318.377	0.907	20	30		DCEDRM
CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001598485199	992196257	/nfs/dbraw/zinc/19/62/57/992196257.db2.gz	PKOMMJZESVFZNT-NEPJUHHUSA-N	-1	0	302.334	0.569	20	30		DCEDRM
CN(CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1c[nH]c(C#N)c1	ZINC001598486579	992214200	/nfs/dbraw/zinc/21/42/00/992214200.db2.gz	RHEGUZLSKPPQGH-VXGBXAGGSA-N	-1	0	318.333	0.137	20	30		DCEDRM
CN1CCCC[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1=O	ZINC001598599111	993549501	/nfs/dbraw/zinc/54/95/01/993549501.db2.gz	RRSYTTGNIJVIIC-NSHDSACASA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[N@@H+]1CCN(C(=O)Cc2cccc(C#N)c2)C[C@@H](C(=O)[O-])C1	ZINC001598607004	993680160	/nfs/dbraw/zinc/68/01/60/993680160.db2.gz	GVCBPCFKPMCZKA-AWEZNQCLSA-N	-1	0	301.346	0.576	20	30		DCEDRM
C[C@@H](NC[C@H](O)CN(C)CCC#N)c1ncc(C(=O)[O-])s1	ZINC001593248081	994468713	/nfs/dbraw/zinc/46/87/13/994468713.db2.gz	SMZDUUNVAQUAFV-ZJUUUORDSA-N	-1	0	312.395	0.698	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC(n3cncn3)C2)cc1C#N	ZINC001464825834	1015951668	/nfs/dbraw/zinc/95/16/68/1015951668.db2.gz	RORUVTSFGCBHIN-UHFFFAOYSA-N	-1	0	316.346	0.669	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CCCSCC#N	ZINC001598748635	995622254	/nfs/dbraw/zinc/62/22/54/995622254.db2.gz	BXZFUEKNSFZQPT-QWRGUYRKSA-N	-1	0	300.380	0.971	20	30		DCEDRM
C[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)NC1(C#N)CCC1	ZINC001593547956	995625392	/nfs/dbraw/zinc/62/53/92/995625392.db2.gz	RJHOAIHWNYJAHF-LPEHRKFASA-N	-1	0	310.306	0.113	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)[nH]1	ZINC001598749353	995632089	/nfs/dbraw/zinc/63/20/89/995632089.db2.gz	FHIHTYPSHHQZKM-GZMMTYOYSA-N	-1	0	305.290	0.365	20	30		DCEDRM
C[C@H](OC(=O)c1ccc(C(=O)[O-])nc1)C(=O)NC1(C#N)CCC1	ZINC001593575853	995685573	/nfs/dbraw/zinc/68/55/73/995685573.db2.gz	ZRWMUUOYDVRAJI-VIFPVBQESA-N	-1	0	317.301	0.888	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](NC(=O)[C@@H](C)C#N)C2CC2)c1[O-]	ZINC001396985784	995725714	/nfs/dbraw/zinc/72/57/14/995725714.db2.gz	XZJWNGGQHQSDQI-XVKPBYJWSA-N	-1	0	305.338	0.208	20	30		DCEDRM
COC(=O)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)[O-]	ZINC001598842006	996533566	/nfs/dbraw/zinc/53/35/66/996533566.db2.gz	SWRZWSBKBDUUCL-YNEHKIRRSA-N	-1	0	316.313	0.794	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@@H]1NCC#N	ZINC001502759823	1016059444	/nfs/dbraw/zinc/05/94/44/1016059444.db2.gz	MUHKOQKHZOAZRO-BDAKNGLRSA-N	-1	0	320.315	0.404	20	30		DCEDRM
CC1(C)CCCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H]1C#N	ZINC001593910131	996790680	/nfs/dbraw/zinc/79/06/80/996790680.db2.gz	CYJNAFRZSQGMKQ-SECBINFHSA-N	-1	0	312.351	0.811	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cc(Cl)ccc2O)c(=O)[n-]c1=O	ZINC001466257370	1016063966	/nfs/dbraw/zinc/06/39/66/1016063966.db2.gz	CQIHGSFWGWAKMQ-UHFFFAOYSA-N	-1	0	320.692	0.818	20	30		DCEDRM
COc1ccc(C(=O)[O-])c(NC(=O)C(=O)NC[C@@H](C)C#N)c1	ZINC001599488386	996894168	/nfs/dbraw/zinc/89/41/68/996894168.db2.gz	VOPKYPRDCNXUND-QMMMGPOBSA-N	-1	0	305.290	0.608	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCCN1CC(=O)NC1(C#N)CCC1	ZINC001599188566	997078197	/nfs/dbraw/zinc/07/81/97/997078197.db2.gz	QHFQNCRDSHHCON-HNNXBMFYSA-N	-1	0	309.366	0.505	20	30		DCEDRM
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C[C@H]1C	ZINC001598901430	997178604	/nfs/dbraw/zinc/17/86/04/997178604.db2.gz	IIIHJCRJSDQCCM-GMTAPVOTSA-N	-1	0	324.333	0.170	20	30		DCEDRM
COC(=O)c1cc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c[nH]1	ZINC001598917708	997505046	/nfs/dbraw/zinc/50/50/46/997505046.db2.gz	MZJQMROTFKUEDU-UHFFFAOYSA-N	-1	0	305.290	0.632	20	30		DCEDRM
CON=Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)cc1	ZINC001599320875	997579011	/nfs/dbraw/zinc/57/90/11/997579011.db2.gz	PMWSTQQNDATRAX-ZDUSSCGKSA-N	-1	0	316.317	0.956	20	30		DCEDRM
COc1cc(C#N)ccc1CN1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001599347978	998042599	/nfs/dbraw/zinc/04/25/99/998042599.db2.gz	OADAHVDTZLEYJK-ZDUSSCGKSA-N	-1	0	317.345	0.732	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N(CC#N)CCC(=O)[O-]	ZINC001599348466	998051238	/nfs/dbraw/zinc/05/12/38/998051238.db2.gz	YCSDNLAARCYVHX-UHFFFAOYSA-N	-1	0	317.301	0.773	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)CNc1ccc(C#N)cn1	ZINC001599146818	998227117	/nfs/dbraw/zinc/22/71/17/998227117.db2.gz	GCZRRADUWKWHAJ-CQSZACIVSA-N	-1	0	306.322	0.361	20	30		DCEDRM
COC(=O)c1ccc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)o1	ZINC001598976658	998606617	/nfs/dbraw/zinc/60/66/17/998606617.db2.gz	CHDHTZUKEKQYEN-UHFFFAOYSA-N	-1	0	302.242	0.846	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cnc3ccccn23)c(=O)[n-]c1=O	ZINC001469898651	1016372119	/nfs/dbraw/zinc/37/21/19/1016372119.db2.gz	TUAUMQATMRSRKA-UHFFFAOYSA-N	-1	0	310.273	0.107	20	30		DCEDRM
Cc1coc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1C	ZINC001470361830	1016424345	/nfs/dbraw/zinc/42/43/45/1016424345.db2.gz	YEQPHKBRGJXDBX-UHFFFAOYSA-N	-1	0	302.290	0.460	20	30		DCEDRM
Cc1nsc(C)c1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001470360473	1016425294	/nfs/dbraw/zinc/42/52/94/1016425294.db2.gz	IEQGHVLXKHXCGG-UHFFFAOYSA-N	-1	0	319.346	0.324	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@H]2C[C@@H]2C2CCCC2)c(=O)[n-]c1=O	ZINC001420697496	1002815457	/nfs/dbraw/zinc/81/54/57/1002815457.db2.gz	WRVVACCASIMAFM-DGCLKSJQSA-N	-1	0	316.361	0.763	20	30		DCEDRM
Cc1noc(C)c1C[C@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421085174	1003303947	/nfs/dbraw/zinc/30/39/47/1003303947.db2.gz	VWZPQZPCYANPCS-ZETCQYMHSA-N	-1	0	303.322	0.593	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H]2CCc3ccccc3N2)c(C#N)c1=O	ZINC001472684772	1016847663	/nfs/dbraw/zinc/84/76/63/1016847663.db2.gz	GFIAXZCMNGOKLY-LLVKDONJSA-N	-1	0	311.345	0.784	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NCc1nc(C(F)F)no1	ZINC001414288542	1005276811	/nfs/dbraw/zinc/27/68/11/1005276811.db2.gz	DBFNVSFNRYACCI-UHFFFAOYSA-N	-1	0	309.298	0.577	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417612845	1005851428	/nfs/dbraw/zinc/85/14/28/1005851428.db2.gz	IHCPRBZELDMXQA-JTQLQIEISA-N	-1	0	303.322	0.219	20	30		DCEDRM
C[C@]1(c2ccccc2)C[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417655235	1005861226	/nfs/dbraw/zinc/86/12/26/1005861226.db2.gz	OTLKLOOMFCURFZ-CXAGYDPISA-N	-1	0	324.340	0.667	20	30		DCEDRM
C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417655236	1005861382	/nfs/dbraw/zinc/86/13/82/1005861382.db2.gz	OTLKLOOMFCURFZ-DYVFJYSZSA-N	-1	0	324.340	0.667	20	30		DCEDRM
CC(C)CC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001417674767	1005865390	/nfs/dbraw/zinc/86/53/90/1005865390.db2.gz	LRXOMGACHBHXPA-UHFFFAOYSA-N	-1	0	304.350	0.763	20	30		DCEDRM
CCCc1ncc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001417839073	1005900520	/nfs/dbraw/zinc/90/05/20/1005900520.db2.gz	WGOLHQOPTSRHLZ-UHFFFAOYSA-N	-1	0	317.305	0.077	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C(C)C)C(=O)C1	ZINC001417885548	1005915173	/nfs/dbraw/zinc/91/51/73/1005915173.db2.gz	AMSBNIIYFIVDLL-UHFFFAOYSA-N	-1	0	302.334	0.660	20	30		DCEDRM
CCn1nc(C)c(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)n1	ZINC001418144143	1006099566	/nfs/dbraw/zinc/09/95/66/1006099566.db2.gz	YXMMWRAPFYRWKH-UHFFFAOYSA-N	-1	0	300.322	0.817	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2CCC[C@@H](F)C2)c(=O)[n-]c1=O	ZINC001418179994	1006134958	/nfs/dbraw/zinc/13/49/58/1006134958.db2.gz	ZHLZSESROOLRHY-GHMZBOCLSA-N	-1	0	308.313	0.608	20	30		DCEDRM
C[C@H](C#N)N(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001418390306	1006460557	/nfs/dbraw/zinc/46/05/57/1006460557.db2.gz	VPZONDIXDPHKEO-SECBINFHSA-N	-1	0	301.306	0.114	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCCOCC2CC2)c(=O)[n-]c1=O	ZINC001440683345	1007950990	/nfs/dbraw/zinc/95/09/90/1007950990.db2.gz	YNNQZHPBVSDPKC-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
Cc1nn(C)c(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1C	ZINC001441480523	1008370702	/nfs/dbraw/zinc/37/07/02/1008370702.db2.gz	LGYFEMMRJGCKNH-UHFFFAOYSA-N	-1	0	316.321	0.200	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C[C@@H]2CC=CCC2)c(=O)[n-]c1=O	ZINC001453838691	1008750277	/nfs/dbraw/zinc/75/02/77/1008750277.db2.gz	CLALOBRHDOHPRU-LLVKDONJSA-N	-1	0	302.334	0.683	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CCc2nccs2)c(=O)[n-]c1=O	ZINC001453839797	1008753652	/nfs/dbraw/zinc/75/36/52/1008753652.db2.gz	CRVBLLRNOOEXMA-UHFFFAOYSA-N	-1	0	319.346	0.026	20	30		DCEDRM
Cc1cc(O)ccc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001545949369	1009385045	/nfs/dbraw/zinc/38/50/45/1009385045.db2.gz	SBPMUDJORVDNEP-UHFFFAOYSA-N	-1	0	314.301	0.863	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cc(O)c(F)cc2F)c(=O)[n-]c1=O	ZINC001434052034	1009495369	/nfs/dbraw/zinc/49/53/69/1009495369.db2.gz	YBVXKJDWIPTEKL-UHFFFAOYSA-N	-1	0	322.227	0.443	20	30		DCEDRM
CO[C@@]1(CO)CCCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001434163908	1009626339	/nfs/dbraw/zinc/62/63/39/1009626339.db2.gz	VOLYVJSTFJABPJ-HNNXBMFYSA-N	-1	0	305.334	0.581	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c(=O)[n-]c1=O	ZINC001434214784	1009670126	/nfs/dbraw/zinc/67/01/26/1009670126.db2.gz	DUDWGLLRBRZYSC-UTUOFQBUSA-N	-1	0	316.361	0.763	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCC(c3nnn[n-]3)CC2)cc1	ZINC001434301536	1009736059	/nfs/dbraw/zinc/73/60/59/1009736059.db2.gz	OBJXILNEZNHVIK-UHFFFAOYSA-N	-1	0	312.333	0.856	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NCc2cncc(C#N)c2)cc1=O	ZINC001456026714	1010069379	/nfs/dbraw/zinc/06/93/79/1010069379.db2.gz	XCADCDJECSZPOJ-UHFFFAOYSA-N	-1	0	313.361	0.958	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001475379039	1017101304	/nfs/dbraw/zinc/10/13/04/1017101304.db2.gz	BJFFZLZSIJQFFL-SECBINFHSA-N	-1	0	312.303	0.323	20	30		DCEDRM
Cc1cnc([C@@H](C)CNc2[n-]c(=O)n(C)c(=O)c2C#N)s1	ZINC001458305277	1012133536	/nfs/dbraw/zinc/13/35/36/1012133536.db2.gz	DWMGENVLAYDGCK-ZETCQYMHSA-N	-1	0	305.363	0.926	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2ccc(OC3COC3)cc2)c(C#N)c1=O	ZINC001458324354	1012141153	/nfs/dbraw/zinc/14/11/53/1012141153.db2.gz	VYVKQRUGSJEOGZ-UHFFFAOYSA-N	-1	0	314.301	0.466	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C=Cc2ccccc2)c(=O)[n-]c1=O	ZINC001557602390	1012285765	/nfs/dbraw/zinc/28/57/65/1012285765.db2.gz	RATLPNMIBXEXSD-SREVYHEPSA-N	-1	0	310.313	0.650	20	30		DCEDRM
C=CCSCCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001564546595	1012524477	/nfs/dbraw/zinc/52/44/77/1012524477.db2.gz	SBNCMSGNLWXXDE-UHFFFAOYSA-N	-1	0	323.378	0.039	20	30		DCEDRM
C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001460331359	1012894050	/nfs/dbraw/zinc/89/40/50/1012894050.db2.gz	HROWCIVWTVGSIF-IVZWLZJFSA-N	-1	0	314.349	0.404	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@H](C)CC#N	ZINC001515804874	1017133407	/nfs/dbraw/zinc/13/34/07/1017133407.db2.gz	RRRBVIHFZLZBBE-SNVBAGLBSA-N	-1	0	301.354	0.817	20	30		DCEDRM
C=CCCCC(=O)NC[C@H](CC)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001499315407	1017840931	/nfs/dbraw/zinc/84/09/31/1017840931.db2.gz	MCJUJFZBAWWAEH-VIFPVBQESA-N	-1	0	323.353	0.264	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001499980748	1018160141	/nfs/dbraw/zinc/16/01/41/1018160141.db2.gz	WACSKAHIUJKJQW-OAHLLOKOSA-N	-1	0	323.397	0.308	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001498147537	1018692122	/nfs/dbraw/zinc/69/21/22/1018692122.db2.gz	QZMZWIOMEOJZPC-SNVBAGLBSA-N	-1	0	322.365	0.346	20	30		DCEDRM
C=CCOCC(=O)N[C@@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001499011319	1019645336	/nfs/dbraw/zinc/64/53/36/1019645336.db2.gz	GUWLPAOOXGYLMV-JTQLQIEISA-N	-1	0	310.354	0.251	20	30		DCEDRM
C=CCO[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001502108272	1019726815	/nfs/dbraw/zinc/72/68/15/1019726815.db2.gz	DLYPVFNUKWQUFG-PSASIEDQSA-N	-1	0	310.354	0.249	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000263082182	238184871	/nfs/dbraw/zinc/18/48/71/238184871.db2.gz	BLGQVDNJXJEXPS-AXFHLTTASA-N	-1	0	303.384	0.365	20	30		DCEDRM
N#CCCCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000267604022	238232338	/nfs/dbraw/zinc/23/23/38/238232338.db2.gz	FVSJESBJQOGOID-UHFFFAOYSA-N	-1	0	323.334	0.408	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000420536023	240041982	/nfs/dbraw/zinc/04/19/82/240041982.db2.gz	VVOOFSSHYDFOFW-GFCCVEGCSA-N	-1	0	302.330	0.333	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC000422665559	240174939	/nfs/dbraw/zinc/17/49/39/240174939.db2.gz	YJWDPWXQYNVBIJ-GFCCVEGCSA-N	-1	0	301.302	0.881	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N[C@]2(C#N)CCOC2)c1	ZINC000424776733	240267269	/nfs/dbraw/zinc/26/72/69/240267269.db2.gz	RHXHUMGCIAGSHB-QKKBWIMNSA-N	-1	0	308.359	0.602	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cccc(COC)c1)C(=O)[O-]	ZINC000275087129	212113329	/nfs/dbraw/zinc/11/33/29/212113329.db2.gz	ZUEUWEDKWOPNPY-CYBMUJFWSA-N	-1	0	311.359	0.978	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C)C(=O)[O-]	ZINC000275058739	212098134	/nfs/dbraw/zinc/09/81/34/212098134.db2.gz	UHOGWZRNPZCWBS-GFCCVEGCSA-N	-1	0	324.358	0.967	20	30		DCEDRM
N#Cc1nc(NC(=O)CNc2ccccc2C(N)=O)[n-]c1C#N	ZINC000347899886	254200401	/nfs/dbraw/zinc/20/04/01/254200401.db2.gz	BRZQRCLIIKBWNY-UHFFFAOYSA-N	-1	0	309.289	0.303	20	30		DCEDRM
COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000048609006	395820361	/nfs/dbraw/zinc/82/03/61/395820361.db2.gz	ORXFIEALTPYUAR-UHFFFAOYSA-N	-1	0	311.319	0.902	20	30		DCEDRM
Cc1nc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)ccc1C#N	ZINC000194303626	395793398	/nfs/dbraw/zinc/79/33/98/395793398.db2.gz	WHIJSEANRWCODX-UHFFFAOYSA-N	-1	0	321.300	0.783	20	30		DCEDRM
CCOC(=O)N[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	ZINC000055555525	395919918	/nfs/dbraw/zinc/91/99/18/395919918.db2.gz	WYSMOQXMDWAHQZ-UHFFFAOYSA-N	-1	0	319.295	0.747	20	30		DCEDRM
O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000058079524	395951218	/nfs/dbraw/zinc/95/12/18/395951218.db2.gz	RIAUVBRODACZJN-UHFFFAOYSA-N	-1	0	324.424	0.641	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[C@@H]1C(=O)[O-]	ZINC000276129972	395989629	/nfs/dbraw/zinc/98/96/29/395989629.db2.gz	MPTHPMGTSKEADF-CABZTGNLSA-N	-1	0	309.347	0.685	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(F)c2)cn1	ZINC000171180935	396109004	/nfs/dbraw/zinc/10/90/04/396109004.db2.gz	VQZSJBYTISTEMG-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)cc1	ZINC000262735486	396177094	/nfs/dbraw/zinc/17/70/94/396177094.db2.gz	ILWJCJYAKCWZFA-IUODEOHRSA-N	-1	0	318.329	0.933	20	30		DCEDRM
N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCC(=O)[O-])C2)nc1	ZINC000263334002	396214334	/nfs/dbraw/zinc/21/43/34/396214334.db2.gz	CZJAHCVWUICHDY-LLVKDONJSA-N	-1	0	304.306	0.591	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C(N)=O	ZINC000185621178	396331114	/nfs/dbraw/zinc/33/11/14/396331114.db2.gz	CHXJDBDCYXDJDP-UHFFFAOYSA-N	-1	0	305.319	0.490	20	30		DCEDRM
CCOc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cn1	ZINC000187729434	396373295	/nfs/dbraw/zinc/37/32/95/396373295.db2.gz	GBOIBYVABZKVHT-UHFFFAOYSA-N	-1	0	307.335	0.886	20	30		DCEDRM
COCC[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594691448	396497260	/nfs/dbraw/zinc/49/72/60/396497260.db2.gz	TXSLUQRPLZBYNT-CYBMUJFWSA-N	-1	0	305.334	0.890	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	ZINC000514792159	396497743	/nfs/dbraw/zinc/49/77/43/396497743.db2.gz	GNWAOSSEMZABKZ-GHMZBOCLSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC[C@H]1C(=O)[O-]	ZINC000290678690	396469707	/nfs/dbraw/zinc/46/97/07/396469707.db2.gz	PVCWJFARVCZWLU-BXKDBHETSA-N	-1	0	309.347	0.685	20	30		DCEDRM
C[C@H](NC(=O)NCC(=O)NCC#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000594528508	396484035	/nfs/dbraw/zinc/48/40/35/396484035.db2.gz	LWFICMDZMMHUEC-LPEHRKFASA-N	-1	0	310.354	0.061	20	30		DCEDRM
CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000594531027	396485196	/nfs/dbraw/zinc/48/51/96/396485196.db2.gz	PIZBFAHLSBGBQU-LBPRGKRZSA-N	-1	0	303.318	0.970	20	30		DCEDRM
CO[C@H](C[C@@H](NS(=O)(=O)CCCCC#N)C(=O)[O-])C1CC1	ZINC000594574317	396488096	/nfs/dbraw/zinc/48/80/96/396488096.db2.gz	XMBQBFGQCMSRMZ-VXGBXAGGSA-N	-1	0	318.395	0.868	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000595548323	396628685	/nfs/dbraw/zinc/62/86/85/396628685.db2.gz	WCVNEXFKUUTWNM-VIFPVBQESA-N	-1	0	319.346	0.946	20	30		DCEDRM
N#Cc1c(NC(=O)CSc2n[nH]c(=O)[n-]2)n[nH]c1C1CC1	ZINC000588769610	396691420	/nfs/dbraw/zinc/69/14/20/396691420.db2.gz	XPLDSKOUCXKDCE-UHFFFAOYSA-N	-1	0	305.323	0.713	20	30		DCEDRM
N#Cc1cncnc1N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC000595968239	396699339	/nfs/dbraw/zinc/69/93/39/396699339.db2.gz	JGXVSKFVUQDQJG-SNVBAGLBSA-N	-1	0	315.333	0.250	20	30		DCEDRM
N#Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)cc(N)c1[N+](=O)[O-]	ZINC000595977574	396701982	/nfs/dbraw/zinc/70/19/82/396701982.db2.gz	GZTWLXZWWFKZMC-MQOMDTIOSA-N	-1	0	306.278	0.685	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H]2C(=O)[O-])c(F)c1	ZINC000589682995	396721436	/nfs/dbraw/zinc/72/14/36/396721436.db2.gz	XIZCQUWWFZVRQW-SECBINFHSA-N	-1	0	302.258	0.684	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC000600660326	396908943	/nfs/dbraw/zinc/90/89/43/396908943.db2.gz	REDZCFYVEFTIRX-JGVFFNPUSA-N	-1	0	311.310	0.259	20	30		DCEDRM
N#CC[C@@]1(O)CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1	ZINC000592152252	397108789	/nfs/dbraw/zinc/10/87/89/397108789.db2.gz	VXPMOKYRVRDKCU-CQSZACIVSA-N	-1	0	320.374	0.359	20	30		DCEDRM
Cn1nccc1[C@H](NS(=O)(=O)CC(C)(C)CC#N)C(=O)[O-]	ZINC000592457219	397183007	/nfs/dbraw/zinc/18/30/07/397183007.db2.gz	BMFSZFGHGXFKQX-JTQLQIEISA-N	-1	0	314.367	0.405	20	30		DCEDRM
CC(C)[C@@H]1CCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602081032	397295898	/nfs/dbraw/zinc/29/58/98/397295898.db2.gz	XKSQEJTUFHAMAS-LBPRGKRZSA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCc3ccsc3C2)c(=O)[n-]c1=O	ZINC000602131993	397313685	/nfs/dbraw/zinc/31/36/85/397313685.db2.gz	OGCUDYJAJZZRCB-UHFFFAOYSA-N	-1	0	316.342	0.467	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000593266586	397345560	/nfs/dbraw/zinc/34/55/60/397345560.db2.gz	NCLBOJLJCMIDJC-NSHDSACASA-N	-1	0	317.411	0.899	20	30		DCEDRM
CC(C)[C@H]1N(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC12CCC2	ZINC000602153592	397324853	/nfs/dbraw/zinc/32/48/53/397324853.db2.gz	MNEUAJLRSTXCDP-CYBMUJFWSA-N	-1	0	316.361	0.858	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCC[C@H](C3CC3)C2)c(=O)[n-]c1=O	ZINC000602152728	397325362	/nfs/dbraw/zinc/32/53/62/397325362.db2.gz	RYOZAZOKNDAENE-LBPRGKRZSA-N	-1	0	316.361	0.859	20	30		DCEDRM
COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000495604721	397549144	/nfs/dbraw/zinc/54/91/44/397549144.db2.gz	POMWCVYANSFNKQ-UHFFFAOYSA-N	-1	0	317.367	0.215	20	30		DCEDRM
C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000579520399	397577722	/nfs/dbraw/zinc/57/77/22/397577722.db2.gz	FEABLBUXQBLHDY-MNOVXSKESA-N	-1	0	318.381	0.641	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCNC(=O)OCC(F)(F)F	ZINC000494299854	397530604	/nfs/dbraw/zinc/53/06/04/397530604.db2.gz	PEWQUQBIYNOHNT-UHFFFAOYSA-N	-1	0	318.273	0.297	20	30		DCEDRM
COc1ccc(C)cc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000603919135	397628678	/nfs/dbraw/zinc/62/86/78/397628678.db2.gz	VXWDTHNTAPAOKH-UHFFFAOYSA-N	-1	0	314.301	0.776	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1	ZINC000076936084	158066201	/nfs/dbraw/zinc/06/62/01/158066201.db2.gz	HZXHSIPJIMIFJZ-UHFFFAOYSA-N	-1	0	319.346	0.349	20	30		DCEDRM
C[C@](O)(CNS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000160699320	158356146	/nfs/dbraw/zinc/35/61/46/158356146.db2.gz	UDBRCLQMKMEXFS-NSHDSACASA-N	-1	0	318.738	0.326	20	30		DCEDRM
N#Cc1ccnc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1	ZINC000329978393	159132694	/nfs/dbraw/zinc/13/26/94/159132694.db2.gz	HLQWDSDOEDMVFE-NSHDSACASA-N	-1	0	319.346	0.912	20	30		DCEDRM
C[C@@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000408486899	160118204	/nfs/dbraw/zinc/11/82/04/160118204.db2.gz	KKRLVNQKMLBWFF-NOZJJQNGSA-N	-1	0	321.358	0.763	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(-n3ccnn3)cc2)[n-]c1C#N	ZINC000089706303	286932418	/nfs/dbraw/zinc/93/24/18/286932418.db2.gz	CXHXLTKUWIMVMJ-UHFFFAOYSA-N	-1	0	304.273	0.986	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)CC(F)(F)F)C2)c(=O)[n-]c1=O	ZINC001647617641	1173002294	/nfs/dbraw/zinc/00/22/94/1173002294.db2.gz	OTBJPIADWOHYEP-UHFFFAOYSA-N	-1	0	302.212	0.156	20	30		DCEDRM
COCCc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)n(C)n1	ZINC000342500918	415195669	/nfs/dbraw/zinc/19/56/69/415195669.db2.gz	XFXKMMHSNRJOFW-UHFFFAOYSA-N	-1	0	310.335	0.874	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000274951183	415367823	/nfs/dbraw/zinc/36/78/23/415367823.db2.gz	GHYLUAXEXJXOMI-ZDUSSCGKSA-N	-1	0	324.358	0.800	20	30		DCEDRM
Cc1ccnc2nc(C(=O)Nc3nn(C(C)C)cc3C#N)nn21	ZINC000345172757	416057045	/nfs/dbraw/zinc/05/70/45/416057045.db2.gz	YFSLTPZPYPRVNF-UHFFFAOYSA-N	-1	0	310.321	1.334	20	30		DCEDRM
C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(C)ccc2O)C1=O	ZINC000345927442	416169828	/nfs/dbraw/zinc/16/98/28/416169828.db2.gz	CIYFAUGVRAYAGD-UHFFFAOYSA-N	-1	0	318.289	0.011	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000340518270	416189725	/nfs/dbraw/zinc/18/97/25/416189725.db2.gz	HKVDTRUOQJVFNC-GFCCVEGCSA-N	-1	0	311.363	0.362	20	30		DCEDRM
CCCc1nc(=NC(=O)N[C@H]2CCS(=O)(=O)C2)s[n-]1	ZINC000330487699	416210993	/nfs/dbraw/zinc/21/09/93/416210993.db2.gz	HXPFJIJUIIESJC-ZETCQYMHSA-N	-1	0	304.397	0.426	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1	ZINC000358525289	416250056	/nfs/dbraw/zinc/25/00/56/416250056.db2.gz	JCYDPBJVEAYXFK-UHFFFAOYSA-N	-1	0	315.314	0.924	20	30		DCEDRM
C[C@H](C[S@@](C)=O)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000183196106	416237560	/nfs/dbraw/zinc/23/75/60/416237560.db2.gz	QUZKMGNWOBFFOM-QOLSBQFWSA-N	-1	0	322.358	0.882	20	30		DCEDRM
C[C@@H](C[S@@](C)=O)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000183196084	416238147	/nfs/dbraw/zinc/23/81/47/416238147.db2.gz	QUZKMGNWOBFFOM-ZDVLTJLQSA-N	-1	0	322.358	0.882	20	30		DCEDRM
N#CCCn1ccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)n1	ZINC000596058395	416576552	/nfs/dbraw/zinc/57/65/52/416576552.db2.gz	GRKNHIKDOCGRMN-LLVKDONJSA-N	-1	0	305.338	1.419	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000490973097	416580716	/nfs/dbraw/zinc/58/07/16/416580716.db2.gz	JFEZUJWPLXVINL-UHFFFAOYSA-N	-1	0	322.298	0.550	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000424367310	416638451	/nfs/dbraw/zinc/63/84/51/416638451.db2.gz	LIALOPNXUNMHHK-OUAUKWLOSA-N	-1	0	303.384	0.650	20	30		DCEDRM
N#Cc1nc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)ccc1Cl	ZINC000424463910	416649826	/nfs/dbraw/zinc/64/98/26/416649826.db2.gz	DBIMOYSJKXJGMV-SECBINFHSA-N	-1	0	315.738	0.295	20	30		DCEDRM
CO[C@H](C)c1nc(=NC(=O)Nc2ccn(CCC#N)n2)s[n-]1	ZINC000565065531	416919728	/nfs/dbraw/zinc/91/97/28/416919728.db2.gz	VTNUABHPTQCMFB-MRVPVSSYSA-N	-1	0	321.366	1.422	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1	ZINC000566732709	417052306	/nfs/dbraw/zinc/05/23/06/417052306.db2.gz	BBOBWTFFHFDJDG-QJPTWQEYSA-N	-1	0	307.350	0.508	20	30		DCEDRM
C=CCCn1cc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)nn1	ZINC000567720249	417066109	/nfs/dbraw/zinc/06/61/09/417066109.db2.gz	UZXNQDUUAQEJIY-LBPRGKRZSA-N	-1	0	322.365	0.950	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000627273818	417324661	/nfs/dbraw/zinc/32/46/61/417324661.db2.gz	LATVTIKLTIZFII-NEPJUHHUSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000529022597	417409627	/nfs/dbraw/zinc/40/96/27/417409627.db2.gz	SEMWEMZDEYHYGV-QISWUMQESA-N	-1	0	323.374	0.818	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCCCC1	ZINC000575927312	417564172	/nfs/dbraw/zinc/56/41/72/417564172.db2.gz	BIEPZBMIBVRJJG-UHFFFAOYSA-N	-1	0	318.395	0.823	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000646046899	417861982	/nfs/dbraw/zinc/86/19/82/417861982.db2.gz	BHXUSSRKNGBICJ-SRVKXCTJSA-N	-1	0	320.411	0.455	20	30		DCEDRM
C=CCNC(=O)c1ccc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)nc1	ZINC000662896824	417940647	/nfs/dbraw/zinc/94/06/47/417940647.db2.gz	PTXUJOXZWWIYOI-UTUOFQBUSA-N	-1	0	305.334	0.633	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2c(n1)OCCO2)C(=O)[O-]	ZINC000656244171	418337767	/nfs/dbraw/zinc/33/77/67/418337767.db2.gz	OHJXFYWDPCRJID-SNVBAGLBSA-N	-1	0	308.290	0.238	20	30		DCEDRM
C=CCOCCCNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000656724724	418373196	/nfs/dbraw/zinc/37/31/96/418373196.db2.gz	SJBKHQALKXJHLH-NSHDSACASA-N	-1	0	306.384	0.210	20	30		DCEDRM
Cn1nccc1/C=C/C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000193977348	261144028	/nfs/dbraw/zinc/14/40/28/261144028.db2.gz	SWMVXRMVHRNSRP-QPJJXVBHSA-N	-1	0	316.342	0.810	20	30		DCEDRM
CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)C(=O)[O-]	ZINC000424437641	262497486	/nfs/dbraw/zinc/49/74/86/262497486.db2.gz	OKXHQHFATYETHU-NSHDSACASA-N	-1	0	318.333	0.755	20	30		DCEDRM
N#Cc1nc(NC(=O)CCNC(=O)/C=C\c2ccco2)[n-]c1C#N	ZINC000490857622	272083284	/nfs/dbraw/zinc/08/32/84/272083284.db2.gz	VWUCWEZTYAUGQK-ARJAWSKDSA-N	-1	0	324.300	0.904	20	30		DCEDRM
C#CCN(C1CCCC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000491819279	277682522	/nfs/dbraw/zinc/68/25/22/277682522.db2.gz	SOHQLUBILIWBCS-UHFFFAOYSA-N	-1	0	314.407	0.906	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000262284015	277832462	/nfs/dbraw/zinc/83/24/62/277832462.db2.gz	XERGTKDRQZNUTO-WDEREUQCSA-N	-1	0	300.355	0.405	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(C(=O)OC)cc1	ZINC000493794552	277927905	/nfs/dbraw/zinc/92/79/05/277927905.db2.gz	SFECHNLHKISPID-YFHOEESVSA-N	-1	0	321.354	0.956	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C#N)cc(C(=O)[O-])c1C	ZINC000273862838	301387599	/nfs/dbraw/zinc/38/75/99/301387599.db2.gz	ZKMPAMIHZGWVDP-NSHDSACASA-N	-1	0	324.358	0.915	20	30		DCEDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H]1C#N	ZINC000273854285	302869751	/nfs/dbraw/zinc/86/97/51/302869751.db2.gz	YODQNXYNDBWYGI-QMMMGPOBSA-N	-1	0	300.292	0.199	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cnccc1C)C(=O)[O-]	ZINC000584289678	332218642	/nfs/dbraw/zinc/21/86/42/332218642.db2.gz	BDNJFZFLJRTQEH-SNVBAGLBSA-N	-1	0	300.336	0.324	20	30		DCEDRM
C=CCCS(=O)(=O)N1CC[C@H]([C@H]2CCCO2)[C@H]1C(=O)[O-]	ZINC000560480042	332344380	/nfs/dbraw/zinc/34/43/80/332344380.db2.gz	LXRNTPUUOWXDFO-UTUOFQBUSA-N	-1	0	303.380	0.846	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)N(CCC)CC1CC1)C(=O)[O-]	ZINC000569966583	332697648	/nfs/dbraw/zinc/69/76/48/332697648.db2.gz	FZYNJFHNDYZFQM-LBPRGKRZSA-N	-1	0	320.411	0.599	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000516771042	333219427	/nfs/dbraw/zinc/21/94/27/333219427.db2.gz	ZMTGOQGJUDZYFW-RVMXOQNASA-N	-1	0	324.377	0.263	20	30		DCEDRM
CCN([C@H](C)CC(=O)[O-])S(=O)(=O)N(CCC#N)CCOC	ZINC000563227680	333490290	/nfs/dbraw/zinc/49/02/90/333490290.db2.gz	WTTHYSMSWVUVRF-LLVKDONJSA-N	-1	0	321.399	0.278	20	30		DCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000048519847	334287231	/nfs/dbraw/zinc/28/72/31/334287231.db2.gz	FRDMYLXJCRDPAK-UHFFFAOYSA-N	-1	0	308.262	0.966	20	30		DCEDRM
C[C@@H](CN(C)C(=O)Cc1ccc(OCC#N)cc1)c1nnn[n-]1	ZINC000273456443	533714455	/nfs/dbraw/zinc/71/44/55/533714455.db2.gz	DSNLAFMOQABNGH-NSHDSACASA-N	-1	0	314.349	0.907	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1	ZINC000582670065	337118910	/nfs/dbraw/zinc/11/89/10/337118910.db2.gz	MCIXJSPAEYLLQC-OUAUKWLOSA-N	-1	0	301.368	0.332	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000422704757	337683673	/nfs/dbraw/zinc/68/36/73/337683673.db2.gz	QISXCSFZAKNGOV-RYUDHWBXSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C=CCC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424398523	337830196	/nfs/dbraw/zinc/83/01/96/337830196.db2.gz	OCVGCTGXBWGYDS-JTQLQIEISA-N	-1	0	318.395	0.482	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1c(C)nn(C)c1Cl	ZINC000493664877	339930816	/nfs/dbraw/zinc/93/08/16/339930816.db2.gz	RWNONCISYZLHDN-VOTSOKGWSA-N	-1	0	315.782	0.864	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CN(C)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC000496125065	339998845	/nfs/dbraw/zinc/99/88/45/339998845.db2.gz	ZJWMHBBCIZLNOL-SNVBAGLBSA-N	-1	0	316.354	0.625	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1OC)C(=O)[O-]	ZINC000542858578	341023896	/nfs/dbraw/zinc/02/38/96/341023896.db2.gz	OBZJZARFDVGOER-NSHDSACASA-N	-1	0	322.342	0.712	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CCCCC1	ZINC000548240408	341252999	/nfs/dbraw/zinc/25/29/99/341252999.db2.gz	BOXZVOBBSAVKEQ-MNOVXSKESA-N	-1	0	316.379	0.310	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-]	ZINC000554675201	341460957	/nfs/dbraw/zinc/46/09/57/341460957.db2.gz	UCUDOMPROXTSNC-VIFPVBQESA-N	-1	0	311.315	0.560	20	30		DCEDRM
C=CCCOCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000565301563	341523212	/nfs/dbraw/zinc/52/32/12/341523212.db2.gz	YLLJYLQHBZGKJQ-UHFFFAOYSA-N	-1	0	300.336	0.651	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000566311374	341553740	/nfs/dbraw/zinc/55/37/40/341553740.db2.gz	BSTKAWMLPMCDGW-MXWKQRLJSA-N	-1	0	303.384	0.508	20	30		DCEDRM
O=C([O-])CCNN=Cc1c(Br)nc2n1CCOC2	ZINC001595060996	1159775305	/nfs/dbraw/zinc/77/53/05/1159775305.db2.gz	WNHHVLBCLMTWIM-UHFFFAOYSA-N	-1	0	317.143	0.574	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)C[C@H]1CCCS(=O)(=O)C1	ZINC001601069240	1159780298	/nfs/dbraw/zinc/78/02/98/1159780298.db2.gz	AYOCNMBEOGXJNO-SNVBAGLBSA-N	-1	0	302.352	0.028	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C	ZINC000569008891	517648324	/nfs/dbraw/zinc/64/83/24/517648324.db2.gz	UNZUBBCTWDQZJH-WOPDTQHZSA-N	-1	0	317.411	0.898	20	30		DCEDRM
N#CCCCS(=O)(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC000370428969	534621489	/nfs/dbraw/zinc/62/14/89/534621489.db2.gz	VHSKWYQRCZSEDJ-SECBINFHSA-N	-1	0	314.285	0.959	20	30		DCEDRM
COCCOCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124480854	524009776	/nfs/dbraw/zinc/00/97/76/524009776.db2.gz	WWGTYZVNGOVJJL-UHFFFAOYSA-N	-1	0	320.317	0.778	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000261753823	524296032	/nfs/dbraw/zinc/29/60/32/524296032.db2.gz	WUWHJVCPCXHIOF-LURJTMIESA-N	-1	0	304.274	0.930	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CNC(=O)c1cccc(F)c1)C(=O)[O-]	ZINC000263104454	526786556	/nfs/dbraw/zinc/78/65/56/526786556.db2.gz	UJISGJBPERXWTJ-GFCCVEGCSA-N	-1	0	324.308	0.328	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)[O-]	ZINC000262932576	526790996	/nfs/dbraw/zinc/79/09/96/526790996.db2.gz	HDAFCJCIMHCHEF-CYBMUJFWSA-N	-1	0	318.329	0.957	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C(=O)[O-]	ZINC000263139992	526804488	/nfs/dbraw/zinc/80/44/88/526804488.db2.gz	WPFQZXSECQEZJW-QMMMGPOBSA-N	-1	0	321.255	0.674	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000281115946	526881175	/nfs/dbraw/zinc/88/11/75/526881175.db2.gz	XNACCCSUYAHPPI-UHFFFAOYSA-N	-1	0	306.343	0.851	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2C[C@H](C(=O)[O-])C[C@H](C)C2)nc1	ZINC000263229418	527036039	/nfs/dbraw/zinc/03/60/39/527036039.db2.gz	QJGWRJCZXOJFEF-WCQYABFASA-N	-1	0	301.346	0.992	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1	ZINC000360940859	527096260	/nfs/dbraw/zinc/09/62/60/527096260.db2.gz	IPLHAZXSWADDLR-ZDUSSCGKSA-N	-1	0	313.317	0.425	20	30		DCEDRM
C#C[C@@H](C)[N-]S(=O)(=O)[C@H](CC(=O)OCC)C(F)(F)F	ZINC000289121914	527225915	/nfs/dbraw/zinc/22/59/15/527225915.db2.gz	KQCCMDWOGUOSPN-HTQZYQBOSA-N	-1	0	301.286	0.812	20	30		DCEDRM
C=CCC[C@@H](NC(=O)c1ccc(OCC(N)=O)cc1)C(=O)[O-]	ZINC000262971234	527443839	/nfs/dbraw/zinc/44/38/39/527443839.db2.gz	SPFDPPSIWMKSQE-GFCCVEGCSA-N	-1	0	306.318	0.700	20	30		DCEDRM
CCOC(=O)CC[C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000278208315	528760111	/nfs/dbraw/zinc/76/01/11/528760111.db2.gz	SPPVWSNHAFBSTA-VIFPVBQESA-N	-1	0	318.351	0.006	20	30		DCEDRM
CC(C)[C@@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1CCCS1(=O)=O	ZINC000329102034	546043396	/nfs/dbraw/zinc/04/33/96/546043396.db2.gz	NDHZJRWHQIBZIU-VIFPVBQESA-N	-1	0	317.371	0.027	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCC1(OC)CCOCC1)C(=O)[O-]	ZINC000684736451	548643717	/nfs/dbraw/zinc/64/37/17/548643717.db2.gz	NBACNDDQZKQBIA-NSHDSACASA-N	-1	0	316.354	0.137	20	30		DCEDRM
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC(=O)[O-]	ZINC000818114247	596972986	/nfs/dbraw/zinc/97/29/86/596972986.db2.gz	ZXHWJZIORQMZKF-SNVBAGLBSA-N	-1	0	318.337	0.043	20	30		DCEDRM
CN(CC(=O)[O-])CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000739632401	597054028	/nfs/dbraw/zinc/05/40/28/597054028.db2.gz	UQBSLLWEQFEBJO-UHFFFAOYSA-N	-1	0	316.317	0.296	20	30		DCEDRM
N#C[C@H](C(=O)CSCC(=O)[O-])C(=O)NCc1ccccc1	ZINC000740302565	597105939	/nfs/dbraw/zinc/10/59/39/597105939.db2.gz	AVBRHFOPYUPMCF-LLVKDONJSA-N	-1	0	306.343	0.829	20	30		DCEDRM
Cc1nc([C@H]2CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO2)no1	ZINC000821165527	597611129	/nfs/dbraw/zinc/61/11/29/597611129.db2.gz	RFURTMIUTBICEQ-RNCFNFMXSA-N	-1	0	308.294	0.283	20	30		DCEDRM
CC[C@@H](NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)C(=O)[O-]	ZINC000820405792	597612389	/nfs/dbraw/zinc/61/23/89/597612389.db2.gz	XNVMPFFQXFHMHL-NXEZZACHSA-N	-1	0	319.317	0.895	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCN1C(=O)c2ccccc2C1=O	ZINC000819873377	597615404	/nfs/dbraw/zinc/61/54/04/597615404.db2.gz	AWQFQEFKJNWOAZ-HNNXBMFYSA-N	-1	0	316.269	0.788	20	30		DCEDRM
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820673054	597629567	/nfs/dbraw/zinc/62/95/67/597629567.db2.gz	LSSBNUHHQRGEHH-BLLLJJGKSA-N	-1	0	318.329	0.891	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(=O)OCc1ccccc1	ZINC000819835231	597630168	/nfs/dbraw/zinc/63/01/68/597630168.db2.gz	UINVEYCXFOMPMB-HNNXBMFYSA-N	-1	0	304.302	0.851	20	30		DCEDRM
COC(=O)[C@H]1CC12CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000820653660	597647791	/nfs/dbraw/zinc/64/77/91/597647791.db2.gz	QHRZDMXJSQQHNN-YGRLFVJLSA-N	-1	0	308.334	0.793	20	30		DCEDRM
Cc1nsc(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)n1	ZINC000821248736	597650869	/nfs/dbraw/zinc/65/08/69/597650869.db2.gz	USSLIIZHQFDDFS-CYBMUJFWSA-N	-1	0	323.378	0.500	20	30		DCEDRM
CCn1nc2c(cc1=O)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000820517850	597654661	/nfs/dbraw/zinc/65/46/61/597654661.db2.gz	SLTVCKMFEBLPMQ-OAHLLOKOSA-N	-1	0	318.333	0.152	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(-c2nn[nH]n2)c1	ZINC000822694199	607323691	/nfs/dbraw/zinc/32/36/91/607323691.db2.gz	YNZOYVFLADQKDM-NSHDSACASA-N	-1	0	321.300	0.806	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CCC(=O)[O-])CC1	ZINC000819954883	598172199	/nfs/dbraw/zinc/17/21/99/598172199.db2.gz	CJSAROIZMNRCAW-ZDUSSCGKSA-N	-1	0	310.398	0.085	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000819820888	598225446	/nfs/dbraw/zinc/22/54/46/598225446.db2.gz	AQURDVWBTWTCMJ-BZNIZROVSA-N	-1	0	315.329	0.913	20	30		DCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NCc1ccco1	ZINC000820114884	598225519	/nfs/dbraw/zinc/22/55/19/598225519.db2.gz	RYUJRBJLXJBVBV-LKFCYVNXSA-N	-1	0	307.306	0.405	20	30		DCEDRM
CC(C)c1nnc2n1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2	ZINC000820062050	598227515	/nfs/dbraw/zinc/22/75/15/598227515.db2.gz	ZBHWZOZUOBMMEV-CQSZACIVSA-N	-1	0	305.338	0.748	20	30		DCEDRM
Cn1cc(C[C@@H]2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)cn1	ZINC000821288106	598229324	/nfs/dbraw/zinc/22/93/24/598229324.db2.gz	ZLRPUDXIYOMJQB-XHDPSFHLSA-N	-1	0	304.350	0.816	20	30		DCEDRM
CC(=NOCC(=O)N1CCC(C(=O)[O-])CC1)c1cnn(C)c1	ZINC000736127952	599707941	/nfs/dbraw/zinc/70/79/41/599707941.db2.gz	YYYRAPOLHKVHGQ-UHFFFAOYSA-N	-1	0	308.338	0.484	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)CCCNC(=O)[O-])CC2)c1	ZINC000739143193	599743703	/nfs/dbraw/zinc/74/37/03/599743703.db2.gz	YMUKTDJPXZOHEG-UHFFFAOYSA-N	-1	0	317.349	0.650	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccccc1C#N	ZINC000737605121	599750639	/nfs/dbraw/zinc/75/06/39/599750639.db2.gz	OHPWRIDYJNNVLV-SNVBAGLBSA-N	-1	0	320.301	0.412	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])CC(=O)Nc1sccc1C#N	ZINC000737616621	599756498	/nfs/dbraw/zinc/75/64/98/599756498.db2.gz	YQZWCORVHNMOIT-UHFFFAOYSA-N	-1	0	311.319	0.118	20	30		DCEDRM
COC(=O)c1cc(NC(=O)[C@H](C)N(C)CC#N)cc(C(=O)[O-])c1	ZINC000737662354	599770720	/nfs/dbraw/zinc/77/07/20/599770720.db2.gz	VRXUEYGJOWVHML-VIFPVBQESA-N	-1	0	319.317	0.954	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1C(=O)[O-]	ZINC000736105793	599788643	/nfs/dbraw/zinc/78/86/43/599788643.db2.gz	KYWRXRCWPGURAQ-VIFPVBQESA-N	-1	0	320.301	0.942	20	30		DCEDRM
Cc1cc(-c2nn[nH]n2)ccc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000826243708	607399361	/nfs/dbraw/zinc/39/93/61/607399361.db2.gz	RXTDODSADHALHA-LBPRGKRZSA-N	-1	0	310.317	0.776	20	30		DCEDRM
CC(C)(NC(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCCCC1	ZINC000736332516	599863335	/nfs/dbraw/zinc/86/33/35/599863335.db2.gz	JUFBFILZEUDJSM-UHFFFAOYSA-N	-1	0	311.338	0.918	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)c1ccccc1NC(=O)[O-]	ZINC000736105846	599869487	/nfs/dbraw/zinc/86/94/87/599869487.db2.gz	MHWKDKCILYEWSO-UHFFFAOYSA-N	-1	0	321.289	0.945	20	30		DCEDRM
O=C([O-])C1=C(C(=O)C2CC2)[C@@H](c2cscn2)NC(=S)N1	ZINC000738528100	599985070	/nfs/dbraw/zinc/98/50/70/599985070.db2.gz	KECKTHPDPHUPRO-MRVPVSSYSA-N	-1	0	309.372	0.980	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC000736587948	600347285	/nfs/dbraw/zinc/34/72/85/600347285.db2.gz	IKRPGYMUBMMFBB-SSDOTTSWSA-N	-1	0	309.709	0.987	20	30		DCEDRM
Cc1n[nH]c(C(=O)N(CC#N)CC(=O)[O-])c1Br	ZINC000738819428	600402076	/nfs/dbraw/zinc/40/20/76/600402076.db2.gz	AOTRDKFPMSMEGE-UHFFFAOYSA-N	-1	0	301.100	0.531	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccccn2)[nH]c1=O	ZINC000739086078	600404630	/nfs/dbraw/zinc/40/46/30/600404630.db2.gz	FSVLRTLHRKRZPE-UHFFFAOYSA-N	-1	0	312.285	0.900	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C(F)(F)Oc1ccc(C=O)cc1	ZINC000739076568	600407177	/nfs/dbraw/zinc/40/71/77/600407177.db2.gz	ZXZICTJOGCPPIS-UHFFFAOYSA-N	-1	0	312.228	0.907	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@H]1Oc2ccccc2NC1=O	ZINC000739077585	600408189	/nfs/dbraw/zinc/40/81/89/600408189.db2.gz	RJEKZLWUNGHPGB-LLVKDONJSA-N	-1	0	303.274	0.213	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000737412173	600520119	/nfs/dbraw/zinc/52/01/19/600520119.db2.gz	JXMFJPNJGQENKS-LLVKDONJSA-N	-1	0	319.383	0.032	20	30		DCEDRM
CN1C[C@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1=O	ZINC000737509238	600610908	/nfs/dbraw/zinc/61/09/08/600610908.db2.gz	OLCVSGUFOCFWJG-DGCLKSJQSA-N	-1	0	302.286	0.705	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)C2CC(=O)NC(=O)C2)C(=O)[O-])cc1	ZINC000739110239	600616101	/nfs/dbraw/zinc/61/61/01/600616101.db2.gz	PFDZRYRIRZWYBI-ZDUSSCGKSA-N	-1	0	316.269	0.280	20	30		DCEDRM
COc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c(C)c1C	ZINC000738058542	600796950	/nfs/dbraw/zinc/79/69/50/600796950.db2.gz	SUZFKZCFOFHCPJ-UHFFFAOYSA-N	-1	0	312.347	0.911	20	30		DCEDRM
C[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1	ZINC000825967003	600891835	/nfs/dbraw/zinc/89/18/35/600891835.db2.gz	PZEPQQJMFMKXRI-MRVPVSSYSA-N	-1	0	311.319	0.148	20	30		DCEDRM
N#CCN(CC(=O)[O-])Cc1nc(-c2ccc3c(c2)OCO3)no1	ZINC000833066758	601003511	/nfs/dbraw/zinc/00/35/11/601003511.db2.gz	IIVOYOQHJHBQTB-UHFFFAOYSA-N	-1	0	316.273	0.875	20	30		DCEDRM
N#CCN(CCCS(=O)(=O)c1ccc(F)cc1)CC(=O)[O-]	ZINC000833066665	601003524	/nfs/dbraw/zinc/00/35/24/601003524.db2.gz	FPCPUWNOPVNVRK-UHFFFAOYSA-N	-1	0	314.338	0.900	20	30		DCEDRM
N#CCN1CCC(CNC(=O)c2cccc(C(=O)[O-])n2)CC1	ZINC000739085949	601094607	/nfs/dbraw/zinc/09/46/07/601094607.db2.gz	LXTGVMHGRSWTIG-UHFFFAOYSA-N	-1	0	302.334	0.745	20	30		DCEDRM
C#CCN1CCN(C(=O)CN[C@@H](C(=O)[O-])c2ccccc2)CC1	ZINC000825618529	601161725	/nfs/dbraw/zinc/16/17/25/601161725.db2.gz	CQXXIIVDUDKKOU-MRXNPFEDSA-N	-1	0	315.373	0.179	20	30		DCEDRM
C[C@](C#N)(NC(=O)Cn1cc(C(=O)[O-])nn1)C1CCCCC1	ZINC000825967715	601286712	/nfs/dbraw/zinc/28/67/12/601286712.db2.gz	ZEPMEXZQGXAZMF-CQSZACIVSA-N	-1	0	305.338	0.955	20	30		DCEDRM
C[C@@H](CS(=O)(=O)NCc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000827563328	601795778	/nfs/dbraw/zinc/79/57/78/601795778.db2.gz	LZNYAEMIEOKVBQ-QMMMGPOBSA-N	-1	0	300.311	0.837	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)CCCNC(=O)[O-])C(N)=O)cc1	ZINC000739110073	602812010	/nfs/dbraw/zinc/81/20/10/602812010.db2.gz	OLRRBQIAVVJDAG-LBPRGKRZSA-N	-1	0	305.290	0.676	20	30		DCEDRM
N#C[C@H]1CN(C(=O)CNC(=O)[O-])CCN1Cc1ccccc1	ZINC000738423771	603133511	/nfs/dbraw/zinc/13/35/11/603133511.db2.gz	VHUWDKKSUAMTEK-ZDUSSCGKSA-N	-1	0	302.334	0.491	20	30		DCEDRM
C#CCNC(=O)c1ccc(N[C@H]2CCCN(C(=O)[O-])C2)nc1	ZINC000736076410	603232922	/nfs/dbraw/zinc/23/29/22/603232922.db2.gz	NUKCKQCLACWYLU-LBPRGKRZSA-N	-1	0	302.334	0.999	20	30		DCEDRM
CCC(CC)(CNc1c(C#N)c(=O)n(C)c(=O)n1C)NC(=O)[O-]	ZINC000826566650	603524625	/nfs/dbraw/zinc/52/46/25/603524625.db2.gz	RUUKEWJQESKGKG-UHFFFAOYSA-N	-1	0	323.353	0.194	20	30		DCEDRM
CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1cc(C#N)cn1C	ZINC000828316947	603534855	/nfs/dbraw/zinc/53/48/55/603534855.db2.gz	ZJBMEUYDCPNKTL-UHFFFAOYSA-N	-1	0	319.365	0.264	20	30		DCEDRM
CN(CCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000828316723	603579443	/nfs/dbraw/zinc/57/94/43/603579443.db2.gz	SXYLKDANYKMGII-UHFFFAOYSA-N	-1	0	324.724	0.876	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1Cc2ccccc2O1	ZINC000831076308	603589244	/nfs/dbraw/zinc/58/92/44/603589244.db2.gz	JQPJMVFQUAMMAR-YPMHNXCESA-N	-1	0	301.302	0.704	20	30		DCEDRM
Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830846002	603592398	/nfs/dbraw/zinc/59/23/98/603592398.db2.gz	KKUILYCVDWDGFD-SKDRFNHKSA-N	-1	0	319.365	0.855	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCOCC(F)(F)F	ZINC000831082756	603593117	/nfs/dbraw/zinc/59/31/17/603593117.db2.gz	QFAMYTCQEAMBEZ-QMMMGPOBSA-N	-1	0	309.244	0.670	20	30		DCEDRM
CCN(C[C@@H](C)C#N)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000827019779	603599707	/nfs/dbraw/zinc/59/97/07/603599707.db2.gz	DIOLHWSNOALKQP-NWDGAFQWSA-N	-1	0	309.370	0.525	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1	ZINC000823444454	603718263	/nfs/dbraw/zinc/71/82/63/603718263.db2.gz	INIHKCFJKQVXHT-UHFFFAOYSA-N	-1	0	303.318	0.874	20	30		DCEDRM
CN(C(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N)c1nccs1	ZINC000827764731	603723432	/nfs/dbraw/zinc/72/34/32/603723432.db2.gz	HDYFVRLQQBUIIH-VIFPVBQESA-N	-1	0	309.351	0.294	20	30		DCEDRM
C#CCCNC(=O)C[C@]1(C(=O)NCCC#C)CCN(C(=O)[O-])C1	ZINC000823444461	603794713	/nfs/dbraw/zinc/79/47/13/603794713.db2.gz	JCIBAHVCOFOOBE-MRXNPFEDSA-N	-1	0	319.361	0.026	20	30		DCEDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCN(CC#N)CC1	ZINC000826101767	603820387	/nfs/dbraw/zinc/82/03/87/603820387.db2.gz	QBZLWRUOPVICHO-WDEREUQCSA-N	-1	0	310.354	0.158	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)NCCCN2CCN(C(=O)[O-])CC2)c1	ZINC000831113523	603848553	/nfs/dbraw/zinc/84/85/53/603848553.db2.gz	DAKSBEQZXCEFJR-UHFFFAOYSA-N	-1	0	305.338	0.302	20	30		DCEDRM
CCCN(CCC)S(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826907083	603917497	/nfs/dbraw/zinc/91/74/97/603917497.db2.gz	KLNRJYIGYCFBDA-LLVKDONJSA-N	-1	0	318.399	0.541	20	30		DCEDRM
C[C@@H](OC(=O)C[C@@H]1CCCN1C(=O)[O-])C(=O)N(C)CCC#N	ZINC000825580457	603934504	/nfs/dbraw/zinc/93/45/04/603934504.db2.gz	SUTKQTGPWKOCOK-MNOVXSKESA-N	-1	0	311.338	0.823	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000823511402	603949659	/nfs/dbraw/zinc/94/96/59/603949659.db2.gz	WPRINICTBCOCIA-VIFPVBQESA-N	-1	0	313.310	0.074	20	30		DCEDRM
CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000823610945	604065211	/nfs/dbraw/zinc/06/52/11/604065211.db2.gz	JXTJBAOSTJGFNP-ZDUSSCGKSA-N	-1	0	316.317	0.973	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CN2CCC[C@H]2CNC(=O)[O-])cc1	ZINC000831126633	604077573	/nfs/dbraw/zinc/07/75/73/604077573.db2.gz	MSPUHOSQPKLGAS-AWEZNQCLSA-N	-1	0	316.361	0.906	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CSCCS1	ZINC000831077174	604081784	/nfs/dbraw/zinc/08/17/84/604081784.db2.gz	XDJVABXSLUQPRW-DTWKUNHWSA-N	-1	0	301.393	0.549	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1csc([N+](=O)[O-])c1	ZINC000831091369	604082718	/nfs/dbraw/zinc/08/27/18/604082718.db2.gz	CHZAMEXQEOXADO-QMMMGPOBSA-N	-1	0	310.291	0.984	20	30		DCEDRM
CN(C)c1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cn1	ZINC000828056945	604085120	/nfs/dbraw/zinc/08/51/20/604085120.db2.gz	WZANMBFRIFQZRI-LLVKDONJSA-N	-1	0	303.322	0.476	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc2c([nH]c1=O)CCC2	ZINC000831087896	604085595	/nfs/dbraw/zinc/08/55/95/604085595.db2.gz	UABGSXKQVVHGKJ-SNVBAGLBSA-N	-1	0	316.317	0.604	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)[C@]1(C)CCN(C(=O)[O-])C1)C1CC1	ZINC000825684887	604107027	/nfs/dbraw/zinc/10/70/27/604107027.db2.gz	MERYHXIJNMLONS-HUUCEWRRSA-N	-1	0	323.349	0.728	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)n1	ZINC000833079444	604304135	/nfs/dbraw/zinc/30/41/35/604304135.db2.gz	VSWFBYBAVZYQJX-LBPRGKRZSA-N	-1	0	321.243	0.370	20	30		DCEDRM
N#Cc1ccc(F)cc1COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000831131962	604321312	/nfs/dbraw/zinc/32/13/12/604321312.db2.gz	HOFLGIVVJUGXDN-NWDGAFQWSA-N	-1	0	308.265	0.854	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823495942	604720314	/nfs/dbraw/zinc/72/03/14/604720314.db2.gz	AUQXRARJMWMDCJ-TUAOUCFPSA-N	-1	0	300.355	0.851	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000829939532	604733708	/nfs/dbraw/zinc/73/37/08/604733708.db2.gz	MOAMTMXCDKTWEU-GFCCVEGCSA-N	-1	0	319.313	0.715	20	30		DCEDRM
N#C[C@H]1CN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CCO1	ZINC000833061716	604762569	/nfs/dbraw/zinc/76/25/69/604762569.db2.gz	GHUJJQVEOYNZNB-JTQLQIEISA-N	-1	0	314.301	0.758	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C1(NC(=O)[O-])CC1	ZINC000825544769	604762834	/nfs/dbraw/zinc/76/28/34/604762834.db2.gz	ORZGNIYBSNMXKS-RNCFNFMXSA-N	-1	0	311.338	0.773	20	30		DCEDRM
C[C@@H](CCNC(=O)C#Cc1ccc2c(c1)OCO2)NC(=O)[O-]	ZINC000824776732	604850307	/nfs/dbraw/zinc/85/03/07/604850307.db2.gz	OGJQPKQZQUSGFK-JTQLQIEISA-N	-1	0	304.302	0.929	20	30		DCEDRM
CC(=O)N(CCc1ccccc1)CC(=O)N(CC#N)CC(=O)[O-]	ZINC000833389732	604971668	/nfs/dbraw/zinc/97/16/68/604971668.db2.gz	UKUZTTBIAKWPRE-UHFFFAOYSA-N	-1	0	317.345	0.514	20	30		DCEDRM
C[C@@H](C(=O)NCC(=O)[O-])N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000833404786	604973395	/nfs/dbraw/zinc/97/33/95/604973395.db2.gz	PGICYXZNRIQRMG-FZMZJTMJSA-N	-1	0	317.345	0.521	20	30		DCEDRM
C#CCOc1ccccc1OC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823467232	605074638	/nfs/dbraw/zinc/07/46/38/605074638.db2.gz	SEWWKTURKOIZDU-ZDUSSCGKSA-N	-1	0	305.286	0.983	20	30		DCEDRM
C=CCN(CC=C)C(=O)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823501170	605211508	/nfs/dbraw/zinc/21/15/08/605211508.db2.gz	RQABUMOCBJMQED-NSHDSACASA-N	-1	0	312.322	0.109	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000833378602	605311802	/nfs/dbraw/zinc/31/18/02/605311802.db2.gz	QQBVEAFZOYSXER-JTQLQIEISA-N	-1	0	306.384	0.386	20	30		DCEDRM
N#CCC[C@@H](NC(=O)CNC(=O)CNC(=O)[O-])c1ccccc1	ZINC000833967774	605374108	/nfs/dbraw/zinc/37/41/08/605374108.db2.gz	GXZAUUPDEIQTEX-GFCCVEGCSA-N	-1	0	318.333	0.531	20	30		DCEDRM
CC(C)Cn1ncnc1Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000833495477	605418608	/nfs/dbraw/zinc/41/86/08/605418608.db2.gz	CNAUPVJGBDRNHF-UHFFFAOYSA-N	-1	0	301.306	0.714	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC000833371521	605478608	/nfs/dbraw/zinc/47/86/08/605478608.db2.gz	UEBRSGIASQMWGJ-QMMMGPOBSA-N	-1	0	312.347	0.686	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC000833366209	605498002	/nfs/dbraw/zinc/49/80/02/605498002.db2.gz	LOQVAZOIZHQTHO-UHFFFAOYSA-N	-1	0	320.301	0.098	20	30		DCEDRM
C=CCCS(=O)(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833375145	605609872	/nfs/dbraw/zinc/60/98/72/605609872.db2.gz	YGIQPAWKIIMFPF-UWVGGRQHSA-N	-1	0	305.352	0.231	20	30		DCEDRM
N#Cc1cccc(C(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1	ZINC000833977322	605722357	/nfs/dbraw/zinc/72/23/57/605722357.db2.gz	QJBQLGRCHMOTSB-RYUDHWBXSA-N	-1	0	318.285	0.397	20	30		DCEDRM
N#Cc1cccc(C(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000833976058	605722672	/nfs/dbraw/zinc/72/26/72/605722672.db2.gz	CCTRMJAXJGJWTQ-ZDUSSCGKSA-N	-1	0	318.285	0.663	20	30		DCEDRM
N#CC1(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CCOCC1	ZINC000831075712	605726847	/nfs/dbraw/zinc/72/68/47/605726847.db2.gz	CGAHYNNNUKQBGY-NSHDSACASA-N	-1	0	311.338	0.334	20	30		DCEDRM
CC(C)[C@H](CCN(C)C(=O)Cn1cnc(C#N)n1)NC(=O)[O-]	ZINC000824078339	605768299	/nfs/dbraw/zinc/76/82/99/605768299.db2.gz	JJDRMVYHIYYXRL-JTQLQIEISA-N	-1	0	308.342	0.290	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)[O-])C2CC2)cc1	ZINC000833976981	605805312	/nfs/dbraw/zinc/80/53/12/605805312.db2.gz	JWAOCPNDRFROOL-GFCCVEGCSA-N	-1	0	309.347	0.883	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)NCCN(C(=O)[O-])C2CC2)cc1	ZINC000833974073	605837970	/nfs/dbraw/zinc/83/79/70/605837970.db2.gz	SPVDKJDZTPPPNN-ZDUSSCGKSA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)NC[C@H](NC(=O)[O-])C2CC2)cc1	ZINC000833973124	605850394	/nfs/dbraw/zinc/85/03/94/605850394.db2.gz	KPKRDXRSIZFWLK-STQMWFEESA-N	-1	0	303.318	0.754	20	30		DCEDRM
N#Cc1cccc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1F	ZINC000833978193	605955039	/nfs/dbraw/zinc/95/50/39/605955039.db2.gz	FIVVYOOUTVYFFC-GHMZBOCLSA-N	-1	0	308.265	0.854	20	30		DCEDRM
N#CCCN(Cc1cccnc1)CN1C[C@@H](NC(=O)[O-])CC1=O	ZINC000833965609	605991610	/nfs/dbraw/zinc/99/16/10/605991610.db2.gz	PDFXVFSICMRRHZ-ZDUSSCGKSA-N	-1	0	317.349	0.623	20	30		DCEDRM
N#CC1(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCSCC1	ZINC000833963994	606073247	/nfs/dbraw/zinc/07/32/47/606073247.db2.gz	ASEPHZVRKYCBID-LBPRGKRZSA-N	-1	0	301.343	0.984	20	30		DCEDRM
N#CCN1CCC(OC(=O)[C@@H](CC(F)F)NC(=O)[O-])CC1	ZINC000833966354	606090514	/nfs/dbraw/zinc/09/05/14/606090514.db2.gz	DQCJXHKEYIVJOA-SECBINFHSA-N	-1	0	305.281	0.809	20	30		DCEDRM
N#CCc1ccnc(NC(=O)CCOC2CN(C(=O)[O-])C2)c1	ZINC000833968479	606098791	/nfs/dbraw/zinc/09/87/91/606098791.db2.gz	SGMVDBYZPJSAPG-UHFFFAOYSA-N	-1	0	304.306	0.855	20	30		DCEDRM
CCOc1ccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)nc1	ZINC000821422335	606360724	/nfs/dbraw/zinc/36/07/24/606360724.db2.gz	USJYQPBCYBEQDU-UHFFFAOYSA-N	-1	0	311.309	0.359	20	30		DCEDRM
C=C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC000819730428	606854317	/nfs/dbraw/zinc/85/43/17/606854317.db2.gz	ZQTAIKMWCYAYGN-LURJTMIESA-N	-1	0	306.351	0.994	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cn3cccnc3n2)o1	ZINC000822424656	606861688	/nfs/dbraw/zinc/86/16/88/606861688.db2.gz	YHEXACKMWCDABN-UHFFFAOYSA-N	-1	0	310.281	0.652	20	30		DCEDRM
C=C(C)[C@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)OCC	ZINC000823874149	607927583	/nfs/dbraw/zinc/92/75/83/607927583.db2.gz	UFKQEDQGJYMJIZ-VIFPVBQESA-N	-1	0	316.325	0.771	20	30		DCEDRM
CC1=C(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCCO1	ZINC000824851587	607927921	/nfs/dbraw/zinc/92/79/21/607927921.db2.gz	ATYCQCPDPOZZQJ-UHFFFAOYSA-N	-1	0	300.282	0.484	20	30		DCEDRM
C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000824866874	608116930	/nfs/dbraw/zinc/11/69/30/608116930.db2.gz	NWGBHRSZSMSFRM-HTRCEHHLSA-N	-1	0	314.309	0.405	20	30		DCEDRM
C=CCC[C@H](NC(=O)[C@@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC000909714777	663796332	/nfs/dbraw/zinc/79/63/32/663796332.db2.gz	IDZTVRCPLABZQK-UWVGGRQHSA-N	-1	0	306.309	0.488	20	30		DCEDRM
N#CCN[C@@H]1CCC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC000981373042	661139650	/nfs/dbraw/zinc/13/96/50/661139650.db2.gz	DPCCXTPXHJAEGF-MNOVXSKESA-N	-1	0	314.349	0.177	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)C2(Cl)CC2)nn1	ZINC000893232944	659123900	/nfs/dbraw/zinc/12/39/00/659123900.db2.gz	HUNIOZKHFJYSML-UHFFFAOYSA-N	-1	0	304.759	0.643	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCn1cc(Cl)cn1	ZINC000776140983	659404404	/nfs/dbraw/zinc/40/44/04/659404404.db2.gz	SVVDLLCRWDILDB-UHFFFAOYSA-N	-1	0	318.786	0.922	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(-n2cnnn2)c1	ZINC000124510473	659767057	/nfs/dbraw/zinc/76/70/57/659767057.db2.gz	PMYCPZIOZDVFTK-CYBMUJFWSA-N	-1	0	310.317	0.607	20	30		DCEDRM
C[C@H](C#N)C(=O)N1C[C@@]2(C)CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1	ZINC000982236900	661315169	/nfs/dbraw/zinc/31/51/69/661315169.db2.gz	RHADDLZLRAZFBB-KMUNFCNLSA-N	-1	0	318.381	0.340	20	30		DCEDRM
CC(=O)Nc1nc(C(=O)[N-]S(=O)(=O)N2CCCC2)cs1	ZINC000048869461	662013495	/nfs/dbraw/zinc/01/34/95/662013495.db2.gz	GPGUKWVUYCVNGH-UHFFFAOYSA-N	-1	0	318.380	0.747	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(N2CCOCC2)ncn1	ZINC000909516606	662171598	/nfs/dbraw/zinc/17/15/98/662171598.db2.gz	JXPLRPQNDGXKAL-UHFFFAOYSA-N	-1	0	306.322	0.026	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)s1	ZINC000728147666	662354854	/nfs/dbraw/zinc/35/48/54/662354854.db2.gz	HKVQKCHMNFSVNR-VIFPVBQESA-N	-1	0	323.374	0.712	20	30		DCEDRM
C#CCSCC(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000897546318	662892956	/nfs/dbraw/zinc/89/29/56/662892956.db2.gz	LRRWGWWIGYUOAA-UHFFFAOYSA-N	-1	0	314.388	0.605	20	30		DCEDRM
C=CCOCC(=O)OCC(=O)NC(=O)c1ccc(OC)cc1	ZINC000729765582	662909949	/nfs/dbraw/zinc/90/99/49/662909949.db2.gz	AMZHVFMLLGQTKZ-UHFFFAOYSA-N	-1	0	307.302	0.697	20	30		DCEDRM
C#CC1(O)CCN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CC1	ZINC000899116212	663124310	/nfs/dbraw/zinc/12/43/10/663124310.db2.gz	IOZYLCUGSHXNOK-UHFFFAOYSA-N	-1	0	313.313	0.630	20	30		DCEDRM
Cn1cc(/C=C/C(=O)c2cnc([O-])n(C)c2=O)c(C2CC2)n1	ZINC000899363091	663140345	/nfs/dbraw/zinc/14/03/45/663140345.db2.gz	DCDNUCXSAYPLTA-AATRIKPKSA-N	-1	0	300.318	0.993	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CCC[C@H](C(F)(F)F)O2)c1=O	ZINC000901567076	663351346	/nfs/dbraw/zinc/35/13/46/663351346.db2.gz	YLCTVDAFVYXIEC-DTWKUNHWSA-N	-1	0	303.240	0.908	20	30		DCEDRM
CCS(=O)(CC)=NS(=O)(=O)[N-][C@](C)(C#N)CSC	ZINC000903125224	663447520	/nfs/dbraw/zinc/44/75/20/663447520.db2.gz	ZVIWWRRLZQKJOL-SECBINFHSA-N	-1	0	313.470	0.974	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@]1(OC)CCSC1)C(=O)[O-]	ZINC000905605610	663566047	/nfs/dbraw/zinc/56/60/47/663566047.db2.gz	SHJRNXKUVCYNDX-GWCFXTLKSA-N	-1	0	318.395	0.464	20	30		DCEDRM
O=C(CCCn1c(=O)[n-][nH]c1=O)NCC#Cc1ccccc1	ZINC000905674047	663574400	/nfs/dbraw/zinc/57/44/00/663574400.db2.gz	OEHNQSRXZNAPJT-UHFFFAOYSA-N	-1	0	300.318	0.637	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)CC[C@@H]2CCOC2)C1	ZINC000906007075	663595302	/nfs/dbraw/zinc/59/53/02/663595302.db2.gz	UBLMDVHLWBICDX-NSHDSACASA-N	-1	0	303.380	0.706	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)NCCN1CCSCC1)C(=O)[O-]	ZINC000908836470	663771299	/nfs/dbraw/zinc/77/12/99/663771299.db2.gz	LYKHPGSHIFVLRL-LLVKDONJSA-N	-1	0	301.412	0.754	20	30		DCEDRM
C=CCCOCCNC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000909118106	663781685	/nfs/dbraw/zinc/78/16/85/663781685.db2.gz	WYJWKXKNRQKROI-NEPJUHHUSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCCC1(OC)CCC1)C(=O)[O-]	ZINC000909225576	663788040	/nfs/dbraw/zinc/78/80/40/663788040.db2.gz	GKGZZTBIUGYKBY-NSHDSACASA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCCC1(OC)CCC1)C(=O)[O-]	ZINC000909225574	663788084	/nfs/dbraw/zinc/78/80/84/663788084.db2.gz	GKGZZTBIUGYKBY-LLVKDONJSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000909239186	663788780	/nfs/dbraw/zinc/78/87/80/663788780.db2.gz	SPAZBEZWAKGTBA-OUJBWJOFSA-N	-1	0	300.380	0.837	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000909861765	663815699	/nfs/dbraw/zinc/81/56/99/663815699.db2.gz	JKEXIWIDDTVQEU-MNOVXSKESA-N	-1	0	306.322	0.178	20	30		DCEDRM
C#CC[C@H](NC(=O)c1nnn(CC2CCCC2)c1C)C(=O)[O-]	ZINC000910051498	663836885	/nfs/dbraw/zinc/83/68/85/663836885.db2.gz	WLGFEJLSRSUIAG-LBPRGKRZSA-N	-1	0	304.350	0.983	20	30		DCEDRM
C#CC[C@H](NC(=O)CN1C(=O)CCc2ccccc21)C(=O)[O-]	ZINC000910054866	663837861	/nfs/dbraw/zinc/83/78/61/663837861.db2.gz	TWZLZAOXJLLJML-LBPRGKRZSA-N	-1	0	300.314	0.559	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cccc(C(=O)N(C)CC)c1)C(=O)[O-]	ZINC000910054876	663837986	/nfs/dbraw/zinc/83/79/86/663837986.db2.gz	UCRKHNYBQFZSTN-CYBMUJFWSA-N	-1	0	302.330	0.985	20	30		DCEDRM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000912522434	664182969	/nfs/dbraw/zinc/18/29/69/664182969.db2.gz	SXBALIQOUMDUGE-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
C[C@@H]1C(=O)N([N-]C(=O)C(F)(F)c2ccccc2C#N)C(=O)N1C	ZINC000912817511	664234205	/nfs/dbraw/zinc/23/42/05/664234205.db2.gz	XBJOGGHEBSMDES-MRVPVSSYSA-N	-1	0	322.271	0.964	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1	ZINC000166076423	664435493	/nfs/dbraw/zinc/43/54/93/664435493.db2.gz	XFTVJYZWZQSUSF-UHFFFAOYSA-N	-1	0	322.386	0.446	20	30		DCEDRM
C=C(Cl)CN1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001031064861	664783384	/nfs/dbraw/zinc/78/33/84/664783384.db2.gz	JFGYNOPCJGLSGM-UHFFFAOYSA-N	-1	0	307.741	0.189	20	30		DCEDRM
N#CCCN(CC1CC1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730546018	664791847	/nfs/dbraw/zinc/79/18/47/664791847.db2.gz	LZBNDCJDQNITCV-UHFFFAOYSA-N	-1	0	300.322	0.223	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1nc(C)c(C)s1	ZINC000835585192	664871420	/nfs/dbraw/zinc/87/14/20/664871420.db2.gz	TUYPYNLBYPJWGX-UHFFFAOYSA-N	-1	0	302.377	0.605	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2COCCO2)n1	ZINC000915414963	664898225	/nfs/dbraw/zinc/89/82/25/664898225.db2.gz	IRHIHSIYUZXCKR-ONGXEEELSA-N	-1	0	310.331	0.586	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccc(C(N)=O)c1	ZINC000916870162	665098008	/nfs/dbraw/zinc/09/80/08/665098008.db2.gz	BITRXGLWHISNKO-LBPRGKRZSA-N	-1	0	303.318	0.261	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)cc1	ZINC000916874690	665098310	/nfs/dbraw/zinc/09/83/10/665098310.db2.gz	FPYXYUCKDNIAQB-LBPRGKRZSA-N	-1	0	303.318	0.261	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)OCO2	ZINC000916875092	665098361	/nfs/dbraw/zinc/09/83/61/665098361.db2.gz	JZZINWJVUWAUFJ-LLVKDONJSA-N	-1	0	304.302	0.890	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)s1	ZINC000916890891	665099408	/nfs/dbraw/zinc/09/94/08/665099408.db2.gz	NFAODGCVEOCCTB-MRVPVSSYSA-N	-1	0	310.331	0.620	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(Cl)c(S(C)(=O)=O)c1	ZINC000917002002	665108248	/nfs/dbraw/zinc/10/82/48/665108248.db2.gz	HZLIFXNCSOGRGB-QMMMGPOBSA-N	-1	0	314.750	0.812	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)n(C)n1	ZINC000917516077	665135460	/nfs/dbraw/zinc/13/54/60/665135460.db2.gz	YFGVRHXRZVAPGO-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c(=O)oc2c1	ZINC000920108204	665258869	/nfs/dbraw/zinc/25/88/69/665258869.db2.gz	QDVWYXRLHWKYMN-SECBINFHSA-N	-1	0	303.274	0.618	20	30		DCEDRM
O=C1NC(=O)C(=N[N-]c2cc(Cl)ccc2[N+](=O)[O-])C(=O)N1	ZINC000921205634	665291280	/nfs/dbraw/zinc/29/12/80/665291280.db2.gz	SBEWKLMZOWPYNY-UHFFFAOYSA-N	-1	0	311.641	0.382	20	30		DCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000733717486	666803804	/nfs/dbraw/zinc/80/38/04/666803804.db2.gz	NSYBAMCWAPBNKA-SNVBAGLBSA-N	-1	0	312.347	0.418	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000733722961	666808431	/nfs/dbraw/zinc/80/84/31/666808431.db2.gz	SAMVSLKFQTWLJS-NSHDSACASA-N	-1	0	310.331	0.172	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C(=O)OCC)cnc1C	ZINC000788072888	667035337	/nfs/dbraw/zinc/03/53/37/667035337.db2.gz	YAHPYYZAAKJBIU-UHFFFAOYSA-N	-1	0	324.358	0.650	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)[O-]	ZINC000864182999	667222445	/nfs/dbraw/zinc/22/24/45/667222445.db2.gz	BPDGHTWPIKFKRV-SECBINFHSA-N	-1	0	324.786	0.124	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-]	ZINC000864188926	667222973	/nfs/dbraw/zinc/22/29/73/667222973.db2.gz	XXYFXQMTIMTAMJ-HLTSFMKQSA-N	-1	0	311.256	0.868	20	30		DCEDRM
C#Cc1ccc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)cc1	ZINC000997327679	667241493	/nfs/dbraw/zinc/24/14/93/667241493.db2.gz	BNYZRMLHAXUOEK-UHFFFAOYSA-N	-1	0	324.340	0.659	20	30		DCEDRM
C#CCC[C@@H](O)CN=c1nn[n-]n1Cc1ccc(OC)cc1	ZINC000865756273	667344471	/nfs/dbraw/zinc/34/44/71/667344471.db2.gz	IAIKNSIMVKTINM-CYBMUJFWSA-N	-1	0	301.350	0.338	20	30		DCEDRM
C#CC[C@@H](COC)N=c1nn[n-]n1Cc1ccc(OC)cc1	ZINC000865976929	667358293	/nfs/dbraw/zinc/35/82/93/667358293.db2.gz	CVIPBGZJOCHFFY-ZDUSSCGKSA-N	-1	0	301.350	0.602	20	30		DCEDRM
C=CCN1CCO[C@H](CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001035573427	667374004	/nfs/dbraw/zinc/37/40/04/667374004.db2.gz	AWSDEDPXLLQWEA-SNVBAGLBSA-N	-1	0	318.333	0.545	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC000737727445	667631296	/nfs/dbraw/zinc/63/12/96/667631296.db2.gz	MOEXUFVRNQWVMQ-NSHDSACASA-N	-1	0	314.305	0.050	20	30		DCEDRM
CCN(CC)C(=O)CCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122494914	667643126	/nfs/dbraw/zinc/64/31/26/667643126.db2.gz	SJUOQFNJZIAGII-NSHDSACASA-N	-1	0	304.350	0.960	20	30		DCEDRM
CCn1cc(C([O-])=C(C#N)C(=O)NCCOC)c(C2CC2)n1	ZINC000870139605	667713269	/nfs/dbraw/zinc/71/32/69/667713269.db2.gz	VRCBSIYRRGNXLX-NSHDSACASA-N	-1	0	304.350	0.865	20	30		DCEDRM
CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CSCC#N	ZINC000838888173	667718365	/nfs/dbraw/zinc/71/83/65/667718365.db2.gz	FYVNYNVFTZUPII-SECBINFHSA-N	-1	0	322.408	0.421	20	30		DCEDRM
CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000838893504	667718793	/nfs/dbraw/zinc/71/87/93/667718793.db2.gz	DEZNXROBLVKWKB-SNVBAGLBSA-N	-1	0	316.379	0.858	20	30		DCEDRM
CCO[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)[C@H]1CCOC1	ZINC000870244440	667725083	/nfs/dbraw/zinc/72/50/83/667725083.db2.gz	YTGBTKURNXDSCH-WDMOLILDSA-N	-1	0	305.334	0.753	20	30		DCEDRM
Cc1nc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)n2C)cn1C	ZINC000839018246	667727021	/nfs/dbraw/zinc/72/70/21/667727021.db2.gz	INFFXDOBVKUEPW-UHFFFAOYSA-N	-1	0	307.335	0.057	20	30		DCEDRM
CCN(CC)S(=O)(=O)CC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870693077	667751986	/nfs/dbraw/zinc/75/19/86/667751986.db2.gz	XDDISHGZPXVOKD-UHFFFAOYSA-N	-1	0	311.363	0.640	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccc3c(n2)OCCO3)CC1	ZINC000870839124	667765373	/nfs/dbraw/zinc/76/53/73/667765373.db2.gz	VTGOPNDZSSGJTJ-UHFFFAOYSA-N	-1	0	310.331	0.631	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccnc3c2ncn3C)CC1	ZINC000870837853	667765441	/nfs/dbraw/zinc/76/54/41/667765441.db2.gz	FAEXUCRVGMWHRI-UHFFFAOYSA-N	-1	0	306.347	0.747	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCOC[C@H]2OC)CC1	ZINC000870837427	667765490	/nfs/dbraw/zinc/76/54/90/667765490.db2.gz	LISSAKDBHMJLCY-GHMZBOCLSA-N	-1	0	303.380	0.593	20	30		DCEDRM
COC[C@](C)(O)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000745321105	667844713	/nfs/dbraw/zinc/84/47/13/667844713.db2.gz	IOPKZEQFJJJWRX-RNCFNFMXSA-N	-1	0	312.347	0.568	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F	ZINC000871939382	667858442	/nfs/dbraw/zinc/85/84/42/667858442.db2.gz	AVMAAVWTDMZKCN-UHFFFAOYSA-N	-1	0	315.322	0.760	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]c2cnn(CC#N)c2)cc1C(N)=O	ZINC000747408214	667902444	/nfs/dbraw/zinc/90/24/44/667902444.db2.gz	WILCMSWRRKKKLA-UHFFFAOYSA-N	-1	0	319.346	0.615	20	30		DCEDRM
CC(C)c1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)nn1C	ZINC000753944608	668038536	/nfs/dbraw/zinc/03/85/36/668038536.db2.gz	AVFYQAWFAPPHIU-UHFFFAOYSA-N	-1	0	310.379	0.907	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2n[nH]nc2-c2ccccc2)c1=O	ZINC000755511820	668061596	/nfs/dbraw/zinc/06/15/96/668061596.db2.gz	WYDSEFYPXFDDDO-UHFFFAOYSA-N	-1	0	313.346	0.903	20	30		DCEDRM
C[S@@](=O)CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000757890415	668150146	/nfs/dbraw/zinc/15/01/46/668150146.db2.gz	NMFHJTILIDGFCU-GOSISDBHSA-N	-1	0	308.331	0.493	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)NCCOCC(=O)[O-]	ZINC000874391144	668178960	/nfs/dbraw/zinc/17/89/60/668178960.db2.gz	MVUXJIGTKCUTPP-UHFFFAOYSA-N	-1	0	306.318	0.599	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759122180	668207875	/nfs/dbraw/zinc/20/78/75/668207875.db2.gz	IBLBJBSURNCUQE-SSDOTTSWSA-N	-1	0	308.256	0.125	20	30		DCEDRM
COC(=O)c1cncc(C([O-])=C(C#N)C(=O)c2nccn2C)c1	ZINC000760242761	668264427	/nfs/dbraw/zinc/26/44/27/668264427.db2.gz	HSURAGGMXVPILJ-NSHDSACASA-N	-1	0	312.285	0.807	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@H]1CCNC(=O)C1	ZINC000761003737	668298483	/nfs/dbraw/zinc/29/84/83/668298483.db2.gz	JAULQQLOVVECCM-JTQLQIEISA-N	-1	0	321.358	0.030	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)c1	ZINC000761133071	668308340	/nfs/dbraw/zinc/30/83/40/668308340.db2.gz	SQQIBPYIIYZZAY-LBPRGKRZSA-N	-1	0	321.358	0.030	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1coc(S(=O)(=O)N(C)C)c1	ZINC000762052126	668344867	/nfs/dbraw/zinc/34/48/67/668344867.db2.gz	ZADXROXJNODMHD-UHFFFAOYSA-N	-1	0	316.335	0.243	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCOC1	ZINC000766978948	668555430	/nfs/dbraw/zinc/55/54/30/668555430.db2.gz	SWXFTPFJLLFEOS-NSHDSACASA-N	-1	0	324.358	0.798	20	30		DCEDRM
Cc1csc(=O)n1CCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770876463	668721408	/nfs/dbraw/zinc/72/14/08/668721408.db2.gz	LSKAIEFPMJMBQK-SNVBAGLBSA-N	-1	0	318.358	0.934	20	30		DCEDRM
C[S@](=O)c1cccc(C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000770910025	668722431	/nfs/dbraw/zinc/72/24/31/668722431.db2.gz	XYXGQFOCHOLWJH-IBGZPJMESA-N	-1	0	314.388	0.787	20	30		DCEDRM
C#CCOc1ccc(-n2c([O-])c(C(=O)OCC)[nH]c2=O)cc1	ZINC000771994954	668760835	/nfs/dbraw/zinc/76/08/35/668760835.db2.gz	AXGADRZIMPFUBX-GFCCVEGCSA-N	-1	0	302.286	0.687	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(CC(F)(F)F)C1	ZINC000772718162	668782358	/nfs/dbraw/zinc/78/23/58/668782358.db2.gz	NLXAAYHKGZJLDL-VIFPVBQESA-N	-1	0	314.329	0.893	20	30		DCEDRM
C#C[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)[C@H]1CCCO1	ZINC000775347402	668861349	/nfs/dbraw/zinc/86/13/49/668861349.db2.gz	LXNFHBBQKRUHTH-GXTWGEPZSA-N	-1	0	322.386	0.969	20	30		DCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c(C(F)F)n1	ZINC000776140622	668871557	/nfs/dbraw/zinc/87/15/57/668871557.db2.gz	DINIDRVUXCBBNG-UHFFFAOYSA-N	-1	0	320.321	0.967	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)COC[C@H]1CCCO1	ZINC000776138226	668871595	/nfs/dbraw/zinc/87/15/95/668871595.db2.gz	KNGJYYXSCSPUGM-SNVBAGLBSA-N	-1	0	304.368	0.178	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)OC2)C(=O)[O-]	ZINC000776588208	668878648	/nfs/dbraw/zinc/87/86/48/668878648.db2.gz	NTZIQDSZLGRQJL-GFCCVEGCSA-N	-1	0	323.326	0.502	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-]	ZINC000776589772	668878702	/nfs/dbraw/zinc/87/87/02/668878702.db2.gz	WQXDOYWJCNNDDK-LLVKDONJSA-N	-1	0	323.326	0.502	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cnc(Cl)n1C)C(=O)[O-]	ZINC000776596423	668878944	/nfs/dbraw/zinc/87/89/44/668878944.db2.gz	FQXTXJMZQITWCD-SSDOTTSWSA-N	-1	0	307.759	0.771	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COCC2CC2)CCCC1	ZINC000779317778	668909442	/nfs/dbraw/zinc/90/94/42/668909442.db2.gz	KEXBJKCWDOBGFM-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779319496	668909748	/nfs/dbraw/zinc/90/97/48/668909748.db2.gz	INUBDWUQEZMVTM-JTQLQIEISA-N	-1	0	315.395	0.431	20	30		DCEDRM
COC(=O)c1cccc(NN=Cc2cn(CC(=O)[O-])nn2)c1	ZINC000779827192	668942072	/nfs/dbraw/zinc/94/20/72/668942072.db2.gz	HIKQLKAUFDWFLA-UHFFFAOYSA-N	-1	0	303.278	0.595	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1sc2nccn2c1C	ZINC000780306204	668978378	/nfs/dbraw/zinc/97/83/78/668978378.db2.gz	UUMRDDMBFMBRDH-SECBINFHSA-N	-1	0	306.347	0.789	20	30		DCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cnc(C(=O)OC)cn1	ZINC000780304134	668978540	/nfs/dbraw/zinc/97/85/40/668978540.db2.gz	NBJXDMIUVWZEMU-SNVBAGLBSA-N	-1	0	318.333	0.892	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)n(C)n1	ZINC000781598802	669051819	/nfs/dbraw/zinc/05/18/19/669051819.db2.gz	DEUXCSAQPDGECR-UHFFFAOYSA-N	-1	0	322.321	0.858	20	30		DCEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)CSCC#N)cn1	ZINC000781863556	669066790	/nfs/dbraw/zinc/06/67/90/669066790.db2.gz	APXKAXARAXSWOF-UHFFFAOYSA-N	-1	0	315.376	0.542	20	30		DCEDRM
CCCC(=O)NCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000782746710	669120539	/nfs/dbraw/zinc/12/05/39/669120539.db2.gz	DWKNNLQOUPEPNF-UHFFFAOYSA-N	-1	0	317.305	0.266	20	30		DCEDRM
CSCCO[N-]C(=O)C(=O)NCc1cc(C#N)ccc1F	ZINC000931600434	669228732	/nfs/dbraw/zinc/22/87/32/669228732.db2.gz	HNNOOUDQYXDINR-UHFFFAOYSA-N	-1	0	311.338	0.724	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(-c2cc(C)cc(F)c2)nn1	ZINC000789406261	669491813	/nfs/dbraw/zinc/49/18/13/669491813.db2.gz	SRHSJGAGJOEAIF-LLVKDONJSA-N	-1	0	301.281	0.783	20	30		DCEDRM
C#CC[C@H](CO)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000882343798	669505737	/nfs/dbraw/zinc/50/57/37/669505737.db2.gz	ZIFOPCRECAKOKU-SECBINFHSA-N	-1	0	300.286	0.499	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(C[S@](C)=O)c1	ZINC000791107429	669593843	/nfs/dbraw/zinc/59/38/43/669593843.db2.gz	FORNSDUPCIXTRG-IBGZPJMESA-N	-1	0	313.400	0.648	20	30		DCEDRM
C#C[C@@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)[C@@H]1CCCO1	ZINC000935459432	669725971	/nfs/dbraw/zinc/72/59/71/669725971.db2.gz	NKHCEDYMSYJEAE-KGLIPLIRSA-N	-1	0	305.378	0.672	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)c1ccc(N2CCCS2(=O)=O)cc1	ZINC000042279369	669827336	/nfs/dbraw/zinc/82/73/36/669827336.db2.gz	NXFZFTOHZJRSGG-UHFFFAOYSA-N	-1	0	318.376	0.491	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)C1CCC(O)CC1)cc2=O	ZINC000795645625	669905903	/nfs/dbraw/zinc/90/59/03/669905903.db2.gz	HTAZGWBJDWMLHZ-UHFFFAOYSA-N	-1	0	316.317	0.901	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnc(COC)s1	ZINC000796770179	669942152	/nfs/dbraw/zinc/94/21/52/669942152.db2.gz	ANJNKIMXICOQCH-VIFPVBQESA-N	-1	0	311.363	0.765	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)C1CC1	ZINC000796824609	669943945	/nfs/dbraw/zinc/94/39/45/669943945.db2.gz	VKZLCLFZLGUSAK-LLVKDONJSA-N	-1	0	300.380	0.941	20	30		DCEDRM
COCc1ncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)s1	ZINC000797225135	669960005	/nfs/dbraw/zinc/96/00/05/669960005.db2.gz	KYFAPLLHTWXEJE-UHFFFAOYSA-N	-1	0	317.392	0.899	20	30		DCEDRM
CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000797227509	669960093	/nfs/dbraw/zinc/96/00/93/669960093.db2.gz	ZWUSXGVSDYEFKV-ONGXEEELSA-N	-1	0	317.411	0.533	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cnn3c2OCCC3)CC1	ZINC000797273339	669961337	/nfs/dbraw/zinc/96/13/37/669961337.db2.gz	XOTIRBKAIRXFRC-UHFFFAOYSA-N	-1	0	311.363	0.834	20	30		DCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000797293845	669963916	/nfs/dbraw/zinc/96/39/16/669963916.db2.gz	OYAMUYXBPDCZGA-ZCFIWIBFSA-N	-1	0	302.333	0.241	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCCN(c2ncccn2)C1	ZINC000797712588	669973579	/nfs/dbraw/zinc/97/35/79/669973579.db2.gz	OKZYNEXSDHUJTF-LBPRGKRZSA-N	-1	0	319.365	0.728	20	30		DCEDRM
O=C([O-])Cn1cc(CN=Nc2nccnc2C2CCC2)nn1	ZINC000807991028	670383864	/nfs/dbraw/zinc/38/38/64/670383864.db2.gz	HXQXHGOZVZIDGD-UHFFFAOYSA-N	-1	0	301.310	0.866	20	30		DCEDRM
COc1ccc(CNC(=O)C(C#N)=C([O-])c2cn(C)nn2)cc1	ZINC000808978617	670432688	/nfs/dbraw/zinc/43/26/88/670432688.db2.gz	MSXQMMLXFIYCHK-GFCCVEGCSA-N	-1	0	313.317	0.463	20	30		DCEDRM
COC(=O)CCCO[N-]C(=O)C(=O)Nc1cccc(C#N)c1C	ZINC000808965204	670432698	/nfs/dbraw/zinc/43/26/98/670432698.db2.gz	HKMGCGKLRBCZPO-UHFFFAOYSA-N	-1	0	319.317	0.806	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1	ZINC000809031697	670438027	/nfs/dbraw/zinc/43/80/27/670438027.db2.gz	IWIPXTRTECKKLD-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000809033476	670438647	/nfs/dbraw/zinc/43/86/47/670438647.db2.gz	RYCYDUDUYDAYLS-CYBMUJFWSA-N	-1	0	315.395	0.762	20	30		DCEDRM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C(=O)O1	ZINC000809382786	670450118	/nfs/dbraw/zinc/45/01/18/670450118.db2.gz	MJIHHZNDJYPMAO-LDWIPMOCSA-N	-1	0	316.285	0.819	20	30		DCEDRM
CC#CCN1CC(N(CC)C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC000952418181	670491345	/nfs/dbraw/zinc/49/13/45/670491345.db2.gz	JJBUVVTVWQYJNJ-UHFFFAOYSA-N	-1	0	313.361	0.192	20	30		DCEDRM
COC(=O)c1cccc(CC(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000810656628	670492633	/nfs/dbraw/zinc/49/26/33/670492633.db2.gz	KRXHDVLOBAQNMG-UHFFFAOYSA-N	-1	0	324.358	0.765	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)c2ccccc12	ZINC000810772777	670496547	/nfs/dbraw/zinc/49/65/47/670496547.db2.gz	FDYADTAXANUKEN-UHFFFAOYSA-N	-1	0	318.354	0.621	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CN1Cc2ccccc2C1=O	ZINC000810774723	670496963	/nfs/dbraw/zinc/49/69/63/670496963.db2.gz	NLECYJBLOXEEDT-UHFFFAOYSA-N	-1	0	306.343	0.112	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COc1ccccc1[N+](=O)[O-]	ZINC000810776963	670497170	/nfs/dbraw/zinc/49/71/70/670497170.db2.gz	OXAVVVATRZILHQ-UHFFFAOYSA-N	-1	0	312.303	0.443	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1=Cc2cc(OC)ccc2OC1	ZINC000810775689	670497184	/nfs/dbraw/zinc/49/71/84/670497184.db2.gz	QBLXMAFDQMFLNK-UHFFFAOYSA-N	-1	0	321.354	0.940	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(C)c1C(F)(F)F	ZINC000810778157	670497518	/nfs/dbraw/zinc/49/75/18/670497518.db2.gz	WGSBWFPTEOHFBO-UHFFFAOYSA-N	-1	0	309.269	0.522	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccnc1OCC(F)F	ZINC000810781537	670497765	/nfs/dbraw/zinc/49/77/65/670497765.db2.gz	RWHLIVUWXQZXHT-UHFFFAOYSA-N	-1	0	318.301	0.808	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C	ZINC000810782742	670497816	/nfs/dbraw/zinc/49/78/16/670497816.db2.gz	UFAJFNBBIXOHOK-UHFFFAOYSA-N	-1	0	310.331	0.915	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(C)c1C(F)(F)F	ZINC000810784166	670498034	/nfs/dbraw/zinc/49/80/34/670498034.db2.gz	UYOUHBFBNGEXBG-UHFFFAOYSA-N	-1	0	309.269	0.522	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)n2cnc(C#N)n2)CC1	ZINC000810984132	670501694	/nfs/dbraw/zinc/50/16/94/670501694.db2.gz	SNGVORMFMMJBAZ-SECBINFHSA-N	-1	0	309.351	0.265	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000810980413	670501878	/nfs/dbraw/zinc/50/18/78/670501878.db2.gz	WSYPSBRGNFHSAW-UHFFFAOYSA-N	-1	0	314.323	0.346	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CN(C)[C@@H]2CCSC2)CC1	ZINC000810987574	670502430	/nfs/dbraw/zinc/50/24/30/670502430.db2.gz	QLEFGJYOYGOJKD-LLVKDONJSA-N	-1	0	318.464	0.978	20	30		DCEDRM
CC[C@H](O)CNN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000811654682	670541598	/nfs/dbraw/zinc/54/15/98/670541598.db2.gz	UFUKQXMLAKYNLD-JTQLQIEISA-N	-1	0	311.294	0.753	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2c(n1)OCCO2	ZINC000847621410	670582764	/nfs/dbraw/zinc/58/27/64/670582764.db2.gz	LYNXXUPPHZXTBH-JTQLQIEISA-N	-1	0	301.302	0.798	20	30		DCEDRM
CCOC[C@@H](NS(=O)(=O)Cc1ccccc1C#N)C(=O)[O-]	ZINC000812448925	670583016	/nfs/dbraw/zinc/58/30/16/670583016.db2.gz	GMFKBTMMVYXXEN-GFCCVEGCSA-N	-1	0	312.347	0.467	20	30		DCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1	ZINC000847997591	670618544	/nfs/dbraw/zinc/61/85/44/670618544.db2.gz	UVNYBBONAIWUAT-UHFFFAOYSA-N	-1	0	313.335	0.162	20	30		DCEDRM
COC1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCCC1	ZINC000813980928	670667626	/nfs/dbraw/zinc/66/76/26/670667626.db2.gz	PCNHZTJCTYPKRP-UHFFFAOYSA-N	-1	0	309.347	0.717	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)[N-]OCCOCC	ZINC000814180760	670678708	/nfs/dbraw/zinc/67/87/08/670678708.db2.gz	PDHJQPUCLGQIDV-NWDGAFQWSA-N	-1	0	300.355	0.168	20	30		DCEDRM
Cn1ncc(C(=O)[O-])c1C=NNC(=S)NC[C@H]1CCCO1	ZINC000848400910	670678825	/nfs/dbraw/zinc/67/88/25/670678825.db2.gz	QPLSPOBNRKBDAQ-MRVPVSSYSA-N	-1	0	311.367	0.095	20	30		DCEDRM
Cc1ccccc1NC(=S)NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000814214138	670681070	/nfs/dbraw/zinc/68/10/70/670681070.db2.gz	UCLGCESTVVYRQH-UHFFFAOYSA-N	-1	0	305.319	0.003	20	30		DCEDRM
CC(C)(C=Nn1c(=O)[n-][nH]c1=O)N1C(=O)c2ccccc2C1=O	ZINC000814231473	670681840	/nfs/dbraw/zinc/68/18/40/670681840.db2.gz	YCRUMIPDXAFXGV-UHFFFAOYSA-N	-1	0	315.289	0.598	20	30		DCEDRM
C#CC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000848607993	670704111	/nfs/dbraw/zinc/70/41/11/670704111.db2.gz	NNIPHTALNNTGKN-YPMHNXCESA-N	-1	0	302.330	0.704	20	30		DCEDRM
C#CCO[N-]C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1	ZINC000855604132	670735022	/nfs/dbraw/zinc/73/50/22/670735022.db2.gz	ZBSZIIJUIPOHBC-UHFFFAOYSA-N	-1	0	303.293	0.985	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)[N-]OCCN1CCCC1=O	ZINC000856036034	670777562	/nfs/dbraw/zinc/77/75/62/670777562.db2.gz	OENDWIXLOZROPE-UHFFFAOYSA-N	-1	0	303.318	0.607	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)[N-]OCCN2CCCC2=O)cc1	ZINC000856043351	670780991	/nfs/dbraw/zinc/78/09/91/670780991.db2.gz	VBBSLMIWIVTAMM-CQSZACIVSA-N	-1	0	303.318	0.262	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C	ZINC000816200250	670790822	/nfs/dbraw/zinc/79/08/22/670790822.db2.gz	FRBBNUDHTDRSRA-UHFFFAOYSA-N	-1	0	324.362	0.284	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NCC(=O)[N-]OCC2CCC2)c1	ZINC000857338889	670910894	/nfs/dbraw/zinc/91/08/94/670910894.db2.gz	IJASVBHIOAROHD-UHFFFAOYSA-N	-1	0	323.374	0.684	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)s1	ZINC000850782112	670939966	/nfs/dbraw/zinc/93/99/66/670939966.db2.gz	HHJUWRRYKBHGPH-ZETCQYMHSA-N	-1	0	316.360	0.889	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000850847725	670948744	/nfs/dbraw/zinc/94/87/44/670948744.db2.gz	HCFLLKIQVVRBTB-NSHDSACASA-N	-1	0	311.363	0.357	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000817882915	670949889	/nfs/dbraw/zinc/94/98/89/670949889.db2.gz	JMZXRTXJDXTJIV-GFCCVEGCSA-N	-1	0	316.313	0.713	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)[O-])[C@H]1CCCO1	ZINC000817880589	670949925	/nfs/dbraw/zinc/94/99/25/670949925.db2.gz	AEBQIJSTLVCLNM-WCQYABFASA-N	-1	0	316.313	0.620	20	30		DCEDRM
Cn1ncc(C2CC2)c1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000850940602	670956261	/nfs/dbraw/zinc/95/62/61/670956261.db2.gz	QQSWFOWCXIDGNH-UHFFFAOYSA-N	-1	0	308.363	0.661	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@](C)(OC)C(=O)OC(C)(C)C	ZINC000850999633	670960350	/nfs/dbraw/zinc/96/03/50/670960350.db2.gz	HSGTVALBKHHYKM-ZDUSSCGKSA-N	-1	0	319.379	0.203	20	30		DCEDRM
COC(=O)c1cc(C(=O)[N-]S(=O)(=O)CCC#N)c(C)o1	ZINC000851015442	670961536	/nfs/dbraw/zinc/96/15/36/670961536.db2.gz	DLFJHWSGGOFUOZ-UHFFFAOYSA-N	-1	0	300.292	0.348	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000851192092	670972642	/nfs/dbraw/zinc/97/26/42/670972642.db2.gz	YDTRVYWILFGEFD-JTQLQIEISA-N	-1	0	324.333	0.682	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])[C@H]1CCCO1	ZINC000818657537	671042445	/nfs/dbraw/zinc/04/24/45/671042445.db2.gz	HHTPMOHGPOZBSV-RWMBFGLXSA-N	-1	0	324.377	0.147	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)nn1	ZINC000820132844	671169323	/nfs/dbraw/zinc/16/93/23/671169323.db2.gz	JLVCJHWTKRCQIA-UHFFFAOYSA-N	-1	0	312.273	0.476	20	30		DCEDRM
COCCCOc1ccc(C(=O)N[C@H]2CCN(O)C2=O)cc1	ZINC000820147972	671171741	/nfs/dbraw/zinc/17/17/41/671171741.db2.gz	BPUXTLGQLBOCTD-ZDUSSCGKSA-N	-1	0	308.334	0.822	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](NC=O)C(C)C)n1	ZINC000860380879	671202998	/nfs/dbraw/zinc/20/29/98/671202998.db2.gz	SHVPXFYEWMFKKF-JQWIXIFHSA-N	-1	0	323.374	0.942	20	30		DCEDRM
Cn1cc(Cl)c(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)n1	ZINC000860672299	671229072	/nfs/dbraw/zinc/22/90/72/671229072.db2.gz	RYXGBCAZIIOYCK-UHFFFAOYSA-N	-1	0	316.770	0.827	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@]1(C2CCCC2)CCNC1=O	ZINC000860720947	671232666	/nfs/dbraw/zinc/23/26/66/671232666.db2.gz	SNYYXQCRXDMLIS-AWEZNQCLSA-N	-1	0	312.391	0.152	20	30		DCEDRM
CCC[C@@H](OCC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000860784770	671238222	/nfs/dbraw/zinc/23/82/22/671238222.db2.gz	GELMILIDIHBBOK-GFCCVEGCSA-N	-1	0	311.363	0.963	20	30		DCEDRM
C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000823474389	671395570	/nfs/dbraw/zinc/39/55/70/671395570.db2.gz	OPKFQUKUHDDHNJ-NSHDSACASA-N	-1	0	314.338	0.333	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O	ZINC000825136535	671450575	/nfs/dbraw/zinc/45/05/75/671450575.db2.gz	CXUPLUCTUJBBEA-LLVKDONJSA-N	-1	0	310.350	0.248	20	30		DCEDRM
CC[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000825192309	671452145	/nfs/dbraw/zinc/45/21/45/671452145.db2.gz	GHZHBKDYJQEYIF-SNVBAGLBSA-N	-1	0	314.353	0.726	20	30		DCEDRM
C#C[C@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)[C@H]1CCCO1	ZINC000831038068	671651005	/nfs/dbraw/zinc/65/10/05/671651005.db2.gz	CRIVEDGIOQELJH-NWDGAFQWSA-N	-1	0	310.350	0.348	20	30		DCEDRM
CS(=O)(=O)N1CCC(N=Nc2ccc(C(=O)[O-])nc2)CC1	ZINC000835006917	671786405	/nfs/dbraw/zinc/78/64/05/671786405.db2.gz	LDZDOKHOAMZIHL-UHFFFAOYSA-N	-1	0	312.351	0.603	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000835040475	671787007	/nfs/dbraw/zinc/78/70/07/671787007.db2.gz	PSOJIZIOWSEDSK-QMMMGPOBSA-N	-1	0	303.286	0.808	20	30		DCEDRM
C[C@@H](Oc1ccccn1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000835295131	671792667	/nfs/dbraw/zinc/79/26/67/671792667.db2.gz	PRWUTDLDBHGETE-SNVBAGLBSA-N	-1	0	309.347	0.599	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cc3n(n2)CCCC3)CCC1	ZINC000835316979	671793480	/nfs/dbraw/zinc/79/34/80/671793480.db2.gz	LHAGXVWQQPAQBJ-UHFFFAOYSA-N	-1	0	322.390	0.973	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1sc(N(C)C)nc1Cl	ZINC000835372168	671794811	/nfs/dbraw/zinc/79/48/11/671794811.db2.gz	QWHZKMSGNLFTMG-UHFFFAOYSA-N	-1	0	321.811	0.945	20	30		DCEDRM
COc1ccc2c(c1)C=C(C(=O)[N-]S(=O)(=O)CCC#N)CO2	ZINC000835412008	671795809	/nfs/dbraw/zinc/79/58/09/671795809.db2.gz	XDILFZKCGFZWFX-UHFFFAOYSA-N	-1	0	322.342	0.831	20	30		DCEDRM
COc1ccc(O[C@H](C)C(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000835413056	671796028	/nfs/dbraw/zinc/79/60/28/671796028.db2.gz	YSZFYSXEBBXPPY-SNVBAGLBSA-N	-1	0	312.347	0.822	20	30		DCEDRM
C#CC[C@H](NC(=O)CSc1n[n-]c(=S)s1)C(=O)OC	ZINC000837942973	671887575	/nfs/dbraw/zinc/88/75/75/671887575.db2.gz	JMYPAYHYRVTSNL-LURJTMIESA-N	-1	0	317.417	0.600	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)Cc2nc(C3CC3)nn2C)CC1	ZINC000842799114	672038463	/nfs/dbraw/zinc/03/84/63/672038463.db2.gz	KPRUNLPZUMEIJL-UHFFFAOYSA-N	-1	0	324.406	0.790	20	30		DCEDRM
Cc1nnnn1-c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1	ZINC000845440222	672248461	/nfs/dbraw/zinc/24/84/61/672248461.db2.gz	PCJURTPHWLTNMN-CQSZACIVSA-N	-1	0	324.344	0.916	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000846002111	672287891	/nfs/dbraw/zinc/28/78/91/672287891.db2.gz	CEBYFSLGSQJXGI-UHFFFAOYSA-N	-1	0	311.363	0.240	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1cccc(F)c1C#N	ZINC000846003452	672288119	/nfs/dbraw/zinc/28/81/19/672288119.db2.gz	BNXMVWOLHVVZJS-UHFFFAOYSA-N	-1	0	301.299	0.043	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1	ZINC000846150089	672297491	/nfs/dbraw/zinc/29/74/91/672297491.db2.gz	XQVAWAWPEGOBSJ-UHFFFAOYSA-N	-1	0	318.333	0.993	20	30		DCEDRM
COc1ncccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771080704	685336969	/nfs/dbraw/zinc/33/69/69/685336969.db2.gz	RFMQOWBUFMILPO-UHFFFAOYSA-N	-1	0	309.347	0.844	20	30		DCEDRM
C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771081991	685336990	/nfs/dbraw/zinc/33/69/90/685336990.db2.gz	VNDHERKZVVPYRK-JTQLQIEISA-N	-1	0	300.380	0.941	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCCCc2c[nH]nn2)CC1	ZINC000793196028	685343538	/nfs/dbraw/zinc/34/35/38/685343538.db2.gz	QXSMEKJBRSDYSD-UHFFFAOYSA-N	-1	0	311.367	0.267	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2cn3ccccc3n2)CC1	ZINC000793196351	685343597	/nfs/dbraw/zinc/34/35/97/685343597.db2.gz	UMEAHQGLXNHYGN-UHFFFAOYSA-N	-1	0	318.358	0.627	20	30		DCEDRM
CCn1nccc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813985416	685351708	/nfs/dbraw/zinc/35/17/08/685351708.db2.gz	ZNXMVMCLOKWINF-UHFFFAOYSA-N	-1	0	305.319	0.288	20	30		DCEDRM
CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000066504145	685066382	/nfs/dbraw/zinc/06/63/82/685066382.db2.gz	SEOIGBDALADDQG-SNVBAGLBSA-N	-1	0	317.367	0.584	20	30		DCEDRM
C=C(Cl)CN1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001009331094	691025124	/nfs/dbraw/zinc/02/51/24/691025124.db2.gz	UTTQFXKFFQIULM-VIFPVBQESA-N	-1	0	315.761	0.022	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2=CCN(C(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC001017387890	692902914	/nfs/dbraw/zinc/90/29/14/692902914.db2.gz	MAIHOJIYNCGRNA-SECBINFHSA-N	-1	0	317.349	0.472	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001691068602	1157567095	/nfs/dbraw/zinc/56/70/95/1157567095.db2.gz	BUIZNGDDULEMJH-VXGBXAGGSA-N	-1	0	323.397	0.572	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC(NC(=O)C#CC(C)(C)C)C2)c1[O-]	ZINC001745855819	1158157805	/nfs/dbraw/zinc/15/78/05/1158157805.db2.gz	KQKTXVVHQVHWOS-UHFFFAOYSA-N	-1	0	304.350	0.414	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCOCC2CCCC2)c(=O)[n-]c1=O	ZINC001625975765	1158268466	/nfs/dbraw/zinc/26/84/66/1158268466.db2.gz	CBQHFLRFOWQTMX-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001110180907	1158845428	/nfs/dbraw/zinc/84/54/28/1158845428.db2.gz	ICPJWGBKNAWLOK-WOPDTQHZSA-N	-1	0	321.381	0.325	20	30		DCEDRM
CCOCCCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001626124940	1158946013	/nfs/dbraw/zinc/94/60/13/1158946013.db2.gz	QBCZAGHDZIJMPZ-UHFFFAOYSA-N	-1	0	308.338	0.144	20	30		DCEDRM
CCC(CC)(CCO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001448223953	1159724976	/nfs/dbraw/zinc/72/49/76/1159724976.db2.gz	FFMCGLSSJNXDMC-UHFFFAOYSA-N	-1	0	322.365	0.268	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC001608184238	1159801330	/nfs/dbraw/zinc/80/13/30/1159801330.db2.gz	UWTNYRFIOVFYGE-UHFFFAOYSA-N	-1	0	313.291	0.335	20	30		DCEDRM
CCSCC[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001566073991	1159960020	/nfs/dbraw/zinc/96/00/20/1159960020.db2.gz	YQRCXAWMNMNWQC-SECBINFHSA-N	-1	0	310.379	0.468	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@@H](C#N)C(C)C)cc2=O)n1	ZINC001567336166	1160316905	/nfs/dbraw/zinc/31/69/05/1160316905.db2.gz	DUZXTQQFGZOBLX-LBPRGKRZSA-N	-1	0	314.349	0.850	20	30		DCEDRM
C=CCn1cccc1C(=O)N(C)CCN(C)C(=O)CNC(=O)[O-]	ZINC001573378225	1163420637	/nfs/dbraw/zinc/42/06/37/1163420637.db2.gz	ANLOIYVWYWTKNI-UHFFFAOYSA-N	-1	0	322.365	0.472	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1c(C(=O)[O-])cnn1CCC#N	ZINC001573930155	1163589789	/nfs/dbraw/zinc/58/97/89/1163589789.db2.gz	FBQKMNBHQCEEAP-DTWKUNHWSA-N	-1	0	320.305	0.633	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO	ZINC001574012745	1163623871	/nfs/dbraw/zinc/62/38/71/1163623871.db2.gz	ROAULTUXAHHNIL-JQWIXIFHSA-N	-1	0	319.317	0.267	20	30		DCEDRM
COc1ncc(NC(=O)Nc2ccn(CC(=O)[O-])n2)cc1C#N	ZINC001574055156	1163630368	/nfs/dbraw/zinc/63/03/68/1163630368.db2.gz	RWMLPZZTLXHIOI-UHFFFAOYSA-N	-1	0	316.277	0.887	20	30		DCEDRM
CSC[C@@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC001574096372	1163634637	/nfs/dbraw/zinc/63/46/37/1163634637.db2.gz	IUOLOIGCJOUJRA-MRVPVSSYSA-N	-1	0	301.349	0.048	20	30		DCEDRM
Cc1cc(N2CCC(C(=O)NCC(=O)[O-])CC2)ncc1C#N	ZINC001574136913	1163646125	/nfs/dbraw/zinc/64/61/25/1163646125.db2.gz	IMQNPTFLZIQTDD-UHFFFAOYSA-N	-1	0	302.334	0.679	20	30		DCEDRM
Cc1nsc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c1C#N	ZINC001574207244	1163663504	/nfs/dbraw/zinc/66/35/04/1163663504.db2.gz	ZNWKYHJWCLCWFK-NXEZZACHSA-N	-1	0	320.374	0.693	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)NC2(CC(=O)[O-])COC2)cc1	ZINC001574241279	1163671818	/nfs/dbraw/zinc/67/18/18/1163671818.db2.gz	JYJWIWUIEWZSCY-UHFFFAOYSA-N	-1	0	310.331	0.275	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)Nc2c(C(=O)[O-])nc3ccccn32)CCO1	ZINC001574242199	1163671960	/nfs/dbraw/zinc/67/19/60/1163671960.db2.gz	TWAHVDDJYAPDJX-SECBINFHSA-N	-1	0	315.289	0.789	20	30		DCEDRM
N#Cc1ccc(CC(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])cn1	ZINC001574245134	1163672540	/nfs/dbraw/zinc/67/25/40/1163672540.db2.gz	GVHAJHGXIOVAQB-STQMWFEESA-N	-1	0	303.318	0.634	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)nc1	ZINC001574245608	1163673773	/nfs/dbraw/zinc/67/37/73/1163673773.db2.gz	SXFTZIIZWKNZBK-CHWSQXEVSA-N	-1	0	312.285	0.265	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C3CCC(CC3)[C@H]2C(=O)[O-])cn1	ZINC001574250082	1163674307	/nfs/dbraw/zinc/67/43/07/1163674307.db2.gz	SFNMVMPWEKWQTE-OCTTZUBCSA-N	-1	0	321.358	0.970	20	30		DCEDRM
C[C@H](O)CC(C)(C)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001575470664	1164025977	/nfs/dbraw/zinc/02/59/77/1164025977.db2.gz	DLJWBTBCCLLHGM-QMMMGPOBSA-N	-1	0	302.342	0.737	20	30		DCEDRM
CC1(C)CCC[C@@]1(O)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001575674800	1164100382	/nfs/dbraw/zinc/10/03/82/1164100382.db2.gz	VVMLVXLLACYGIB-CQSZACIVSA-N	-1	0	314.353	0.881	20	30		DCEDRM
COC(=O)c1cc(Cn2cnc(-c3nnn[n-]3)c2C#N)cs1	ZINC001579479570	1165327296	/nfs/dbraw/zinc/32/72/96/1165327296.db2.gz	OMKLWICCRXAYSF-UHFFFAOYSA-N	-1	0	315.318	0.831	20	30		DCEDRM
N#C[C@@H]1CNC[C@H]1[N-]S(=O)(=O)c1occc1Br	ZINC001580044897	1165484986	/nfs/dbraw/zinc/48/49/86/1165484986.db2.gz	LVJCPJZEUGODKW-HTRCEHHLSA-N	-1	0	320.168	0.432	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001581137885	1165788893	/nfs/dbraw/zinc/78/88/93/1165788893.db2.gz	KYNVPWOFJOGLQS-UHFFFAOYSA-N	-1	0	319.288	0.894	20	30		DCEDRM
N#CCC1(O)CN(C(=O)Nc2cc(F)cc(-c3nn[nH]n3)c2)C1	ZINC001581858083	1165890447	/nfs/dbraw/zinc/89/04/47/1165890447.db2.gz	PLKZJNZEUUVIFS-UHFFFAOYSA-N	-1	0	317.284	0.498	20	30		DCEDRM
N#Cc1cncc(CNC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)c1	ZINC001581877713	1165896230	/nfs/dbraw/zinc/89/62/30/1165896230.db2.gz	FXYXKPYJQRJNKI-UHFFFAOYSA-N	-1	0	321.300	0.769	20	30		DCEDRM
N#Cc1cnc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)c(Cl)c1	ZINC001581876945	1165897552	/nfs/dbraw/zinc/89/75/52/1165897552.db2.gz	LZJHPOXROKIVQC-UHFFFAOYSA-N	-1	0	315.684	0.762	20	30		DCEDRM
N#Cc1ncc(NC[C@H](O)c2cncs2)nc1-c1nnn[n-]1	ZINC001581882965	1165902600	/nfs/dbraw/zinc/90/26/00/1165902600.db2.gz	NAGDRVYJKILCJZ-ZETCQYMHSA-N	-1	0	315.322	0.130	20	30		DCEDRM
Cc1cc(=O)n2nc(NC(=O)c3ncc(C#N)cc3C)[n-]c2n1	ZINC001584141975	1166311914	/nfs/dbraw/zinc/31/19/14/1166311914.db2.gz	MVEDTHKIYBMNPK-UHFFFAOYSA-N	-1	0	309.289	0.553	20	30		DCEDRM
C#CCO[N-]C(=O)CSCc1ccc(-c2nn[nH]n2)cc1	ZINC001588363364	1166546156	/nfs/dbraw/zinc/54/61/56/1166546156.db2.gz	BCSLFUBVMVKMEW-UHFFFAOYSA-N	-1	0	303.347	0.781	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1F)C(=O)[O-]	ZINC001588423511	1166554578	/nfs/dbraw/zinc/55/45/78/1166554578.db2.gz	JNHHXOBDTMANIZ-LLVKDONJSA-N	-1	0	303.286	0.861	20	30		DCEDRM
C=CC(C)(C)CNS(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001588489010	1166557551	/nfs/dbraw/zinc/55/75/51/1166557551.db2.gz	UMNRCOUFOBAAAF-UHFFFAOYSA-N	-1	0	308.367	0.752	20	30		DCEDRM
C=CCC(C)(C)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001588539790	1166560810	/nfs/dbraw/zinc/56/08/10/1166560810.db2.gz	ZQGIQYPWNOFRRF-UHFFFAOYSA-N	-1	0	319.373	0.360	20	30		DCEDRM
C=CCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1	ZINC001588571449	1166566146	/nfs/dbraw/zinc/56/61/46/1166566146.db2.gz	XFUNFUNBSFCTME-SNVBAGLBSA-N	-1	0	314.353	0.318	20	30		DCEDRM
C=CCn1cnnc1Sc1cc(-c2nn[nH]n2)nc(C)n1	ZINC001588716586	1166580734	/nfs/dbraw/zinc/58/07/34/1166580734.db2.gz	IGXHIFOZGGCDSY-UHFFFAOYSA-N	-1	0	301.339	0.894	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)c1ccc(F)c(-c2nn[nH]n2)c1	ZINC001588737752	1166581007	/nfs/dbraw/zinc/58/10/07/1166581007.db2.gz	IFOBGYPQQYQPIJ-SNVBAGLBSA-N	-1	0	303.297	0.510	20	30		DCEDRM
C[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)n1cnc(-c2nnn[n-]2)n1	ZINC001589025713	1166628996	/nfs/dbraw/zinc/62/89/96/1166628996.db2.gz	BOANHFFMCKWNSA-OPRDCNLKSA-N	-1	0	316.325	0.645	20	30		DCEDRM
C[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)[C@H]1CCCOC1	ZINC001589986988	1166737677	/nfs/dbraw/zinc/73/76/77/1166737677.db2.gz	AUKVSWZGQGQZAB-BDAKNGLRSA-N	-1	0	300.326	0.755	20	30		DCEDRM
C[C@H]1CCC[C@H](CNc2cnc(C#N)c(-c3nnn[n-]3)n2)O1	ZINC001590245236	1166827129	/nfs/dbraw/zinc/82/71/29/1166827129.db2.gz	XUJWJQJPURCPJZ-DTWKUNHWSA-N	-1	0	300.326	0.898	20	30		DCEDRM
CC[C@@H](O)CNN=C1CCCc2c1c[nH]c(=O)c2-c1nnn[n-]1	ZINC001590476933	1166919640	/nfs/dbraw/zinc/91/96/40/1166919640.db2.gz	MFCBFKYUWQTXJK-MRVPVSSYSA-N	-1	0	317.353	0.368	20	30		DCEDRM
CCCn1nccc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001590665390	1166962620	/nfs/dbraw/zinc/96/26/20/1166962620.db2.gz	YOSOKBIPYMXXDO-UHFFFAOYSA-N	-1	0	312.297	0.320	20	30		DCEDRM
CCOC(OCC)[C@@H](C)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590785708	1167019924	/nfs/dbraw/zinc/01/99/24/1167019924.db2.gz	UTZJUUFHPGWLRJ-MRVPVSSYSA-N	-1	0	318.341	0.728	20	30		DCEDRM
CCc1noc(C)c1CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590934495	1167056297	/nfs/dbraw/zinc/05/62/97/1167056297.db2.gz	MPWSKNIMJNXPGK-UHFFFAOYSA-N	-1	0	311.309	0.999	20	30		DCEDRM
CN(CCOC(C)(C)C)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001591108475	1167106351	/nfs/dbraw/zinc/10/63/51/1167106351.db2.gz	PAQGBIADUXBUGO-UHFFFAOYSA-N	-1	0	302.342	0.780	20	30		DCEDRM
Cc1nc(C)c(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)s1	ZINC001592355823	1167503483	/nfs/dbraw/zinc/50/34/83/1167503483.db2.gz	YKRNEOLQSNRTQE-UHFFFAOYSA-N	-1	0	315.322	0.787	20	30		DCEDRM
N#CCCCCNS(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001592676518	1167597391	/nfs/dbraw/zinc/59/73/91/1167597391.db2.gz	VBCHUHLXQVCZRJ-UHFFFAOYSA-N	-1	0	307.339	0.234	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccnc(Cl)c2)[n-]c1-c1nn[nH]n1	ZINC001592681509	1167598157	/nfs/dbraw/zinc/59/81/57/1167598157.db2.gz	FDFVLNDMDNRTSS-UHFFFAOYSA-N	-1	0	315.684	0.762	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1C[C@@H]1C[C@@H]2CCC[C@H]2O1	ZINC001592682063	1167600537	/nfs/dbraw/zinc/60/05/37/1167600537.db2.gz	OHFBLUNBNUVTKQ-OYNCUSHFSA-N	-1	0	300.326	0.475	20	30		DCEDRM
N#Cc1ncc(NCC2SCCS2)nc1-c1nnn[n-]1	ZINC001592710601	1167609730	/nfs/dbraw/zinc/60/97/30/1167609730.db2.gz	QDADBIQPLRABGZ-UHFFFAOYSA-N	-1	0	306.380	0.746	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H](C(=O)[O-])C1	ZINC001598795108	1168036223	/nfs/dbraw/zinc/03/62/23/1168036223.db2.gz	CVAVMSLIXLKZPJ-LDYMZIIASA-N	-1	0	305.290	0.365	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2ccc(C#N)n2C)[C@H](C(=O)[O-])C1	ZINC001598797362	1168042289	/nfs/dbraw/zinc/04/22/89/1168042289.db2.gz	NHGMIQBTARYECX-SKDRFNHKSA-N	-1	0	319.317	0.375	20	30		DCEDRM
Cc1c(NC(=O)C(=O)N(CCC#N)C(C)C)cnn1CC(=O)[O-]	ZINC001600025883	1168103676	/nfs/dbraw/zinc/10/36/76/1168103676.db2.gz	XXMDAECQVPTUTN-UHFFFAOYSA-N	-1	0	321.337	0.365	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c1	ZINC001600074043	1168110884	/nfs/dbraw/zinc/11/08/84/1168110884.db2.gz	JDVQNIVVAPYLBS-JQWIXIFHSA-N	-1	0	319.292	0.829	20	30		DCEDRM
Cc1cc(NC(=O)NC[C@H](O)CC(=O)[O-])c(C#N)cc1N(C)C	ZINC001600266486	1168152953	/nfs/dbraw/zinc/15/29/53/1168152953.db2.gz	BBKCGYNSIZBJNE-LLVKDONJSA-N	-1	0	320.349	0.890	20	30		DCEDRM
Cc1ccc(Cn2c(=O)c(C#N)c(C)n(C)c2=O)cc1C(=O)[O-]	ZINC001600427333	1168182131	/nfs/dbraw/zinc/18/21/31/1168182131.db2.gz	ZMOBRHIWLJSWPP-UHFFFAOYSA-N	-1	0	313.313	0.782	20	30		DCEDRM
Cc1nn2cccnc2c1S(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001600790144	1168296238	/nfs/dbraw/zinc/29/62/38/1168296238.db2.gz	AKSPOBAWFMPEFK-UHFFFAOYSA-N	-1	0	323.334	0.027	20	30		DCEDRM
Cc1noc([C@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001600804580	1168300597	/nfs/dbraw/zinc/30/05/97/1168300597.db2.gz	VULXRTHDADEENG-QMMMGPOBSA-N	-1	0	307.310	0.839	20	30		DCEDRM
Cn1cc(C=NNc2ccc(S(N)(=O)=O)cc2)cc1C(=O)[O-]	ZINC001600943948	1168522987	/nfs/dbraw/zinc/52/29/87/1168522987.db2.gz	GBTWMLFSHQTQSU-UHFFFAOYSA-N	-1	0	322.346	0.817	20	30		DCEDRM
Cn1cc(C=NNc2ccc(CC(=O)[O-])cc2)c(=O)n(C)c1=O	ZINC001600943927	1168523602	/nfs/dbraw/zinc/52/36/02/1168523602.db2.gz	FKZWMNTWDZNSKH-UHFFFAOYSA-N	-1	0	316.317	0.157	20	30		DCEDRM
Cn1cccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1=O	ZINC001600979686	1168542355	/nfs/dbraw/zinc/54/23/55/1168542355.db2.gz	SIDDEDDNCKKXSR-UHFFFAOYSA-N	-1	0	304.306	0.608	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(CC2CCS(=O)(=O)CC2)CC1	ZINC001601052346	1168577505	/nfs/dbraw/zinc/57/75/05/1168577505.db2.gz	ALKDFXGMSVCKMQ-UHFFFAOYSA-N	-1	0	300.380	0.502	20	30		DCEDRM
N#CC1(C(=O)OCc2noc(CCCC(=O)[O-])n2)CCOCC1	ZINC001601053321	1168578082	/nfs/dbraw/zinc/57/80/82/1168578082.db2.gz	FDXSEAUYTRTCDS-UHFFFAOYSA-N	-1	0	323.305	0.840	20	30		DCEDRM
N#CC1(NC(=O)CN[C@@H](C(=O)[O-])c2cccc(O)c2)CCC1	ZINC001601057411	1168578139	/nfs/dbraw/zinc/57/81/39/1168578139.db2.gz	YCROBHHYOKDYNJ-CYBMUJFWSA-N	-1	0	303.318	0.670	20	30		DCEDRM
N#CC1(NC(=O)CN2CCC(O)(C(=O)[O-])CC2)CCCCC1	ZINC001601056798	1168578154	/nfs/dbraw/zinc/57/81/54/1168578154.db2.gz	ASVUWRKPUKQGSX-UHFFFAOYSA-N	-1	0	309.366	0.241	20	30		DCEDRM
N#CC1(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)CCOCC1	ZINC001601053801	1168578411	/nfs/dbraw/zinc/57/84/11/1168578411.db2.gz	UKIFGSINDHNIEK-NSHDSACASA-N	-1	0	324.333	0.316	20	30		DCEDRM
N#CC[C@H](NC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)C(F)(F)F	ZINC001601062080	1168579263	/nfs/dbraw/zinc/57/92/63/1168579263.db2.gz	MERFVQIPAAYRRJ-PRJMDXOYSA-N	-1	0	309.244	0.308	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CCO1	ZINC001601061439	1168579363	/nfs/dbraw/zinc/57/93/63/1168579363.db2.gz	ZUKAKODAEFSYSH-XJKCOSOUSA-N	-1	0	300.314	0.996	20	30		DCEDRM
N#CCCNC(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC001601068424	1168580233	/nfs/dbraw/zinc/58/02/33/1168580233.db2.gz	ZCVUERIBDLYMKL-UHFFFAOYSA-N	-1	0	300.274	0.834	20	30		DCEDRM
N#CCC[C@@H](C#N)Cn1cnc2c(cnn2CC(=O)[O-])c1=O	ZINC001601066646	1168580374	/nfs/dbraw/zinc/58/03/74/1168580374.db2.gz	OPAAQXGBAXSGQI-VIFPVBQESA-N	-1	0	300.278	0.121	20	30		DCEDRM
N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])n1	ZINC001601068458	1168580573	/nfs/dbraw/zinc/58/05/73/1168580573.db2.gz	AVOMTLBAZRZUCY-ZJUUUORDSA-N	-1	0	319.321	0.105	20	30		DCEDRM
N#CCCN(Cc1ccco1)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC001601067786	1168580583	/nfs/dbraw/zinc/58/05/83/1168580583.db2.gz	MTWIBUAUSCTSNB-UHFFFAOYSA-N	-1	0	303.278	0.512	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1COc2ccc(O)cc2O1	ZINC001601071174	1168580964	/nfs/dbraw/zinc/58/09/64/1168580964.db2.gz	USNBOSWHXFOVPM-LBPRGKRZSA-N	-1	0	306.274	0.359	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1	ZINC001601070609	1168581192	/nfs/dbraw/zinc/58/11/92/1168581192.db2.gz	QRTZKHJZBYBKHU-AKAXFMLLSA-N	-1	0	302.330	0.906	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC[C@H](Nc2ncccn2)CC1	ZINC001601069757	1168581306	/nfs/dbraw/zinc/58/13/06/1168581306.db2.gz	RNAPLVCBNZHLJF-HAQNSBGRSA-N	-1	0	317.349	0.884	20	30		DCEDRM
N#CCOc1cc(F)ccc1NC(=O)NCC(=O)NCC(=O)[O-]	ZINC001601074079	1168581627	/nfs/dbraw/zinc/58/16/27/1168581627.db2.gz	XHBGCIFVLCFNQT-UHFFFAOYSA-N	-1	0	324.268	0.050	20	30		DCEDRM
N#CCOc1ccc(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cc1	ZINC001601074269	1168581747	/nfs/dbraw/zinc/58/17/47/1168581747.db2.gz	PTAMVCMFOXMTHJ-BJHJDKERSA-N	-1	0	324.358	0.872	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)c2cc(C(=O)[O-])ccn2)C1	ZINC001601074953	1168582214	/nfs/dbraw/zinc/58/22/14/1168582214.db2.gz	XWTNMAUIDDQQSV-NSHDSACASA-N	-1	0	302.334	0.745	20	30		DCEDRM
N#CCc1ccc(CS(=O)(=O)NCCOCC(=O)[O-])cc1	ZINC001601077248	1168582546	/nfs/dbraw/zinc/58/25/46/1168582546.db2.gz	SZNUBCDCVLZCTQ-UHFFFAOYSA-N	-1	0	312.347	0.273	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])ccc1Cl	ZINC001601085557	1168583618	/nfs/dbraw/zinc/58/36/18/1168583618.db2.gz	CHGNZJKGUSJSIK-LLVKDONJSA-N	-1	0	319.708	0.686	20	30		DCEDRM
N#Cc1cc(O)cc(C(=O)NCC2(C(=O)[O-])CCOCC2)c1	ZINC001601088756	1168583731	/nfs/dbraw/zinc/58/37/31/1168583731.db2.gz	CDVBZCOTXOCJAY-UHFFFAOYSA-N	-1	0	304.302	0.875	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c(F)c1	ZINC001601093900	1168583966	/nfs/dbraw/zinc/58/39/66/1168583966.db2.gz	IEZRQFVSLGRPQW-NSHDSACASA-N	-1	0	303.253	0.172	20	30		DCEDRM
N#Cc1ccc(Cl)cc1NC(=O)CN[C@@]1(C(=O)[O-])CCOC1	ZINC001601103840	1168585320	/nfs/dbraw/zinc/58/53/20/1168585320.db2.gz	QMFFNHUHXJUIHW-AWEZNQCLSA-N	-1	0	323.736	0.983	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NCc2ccc(C(=O)[O-])cn2)nc1	ZINC001601108191	1168586298	/nfs/dbraw/zinc/58/62/98/1168586298.db2.gz	FOXVHXCKDQGHQW-UHFFFAOYSA-N	-1	0	311.301	0.775	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C#N)c(C(=O)[O-])c1	ZINC001601111630	1168586914	/nfs/dbraw/zinc/58/69/14/1168586914.db2.gz	CLNBKXRUWAHDJJ-JTQLQIEISA-N	-1	0	321.314	0.170	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)C2(n3cnnn3)CC2)C(=O)[O-])c1	ZINC001601117468	1168587685	/nfs/dbraw/zinc/58/76/85/1168587685.db2.gz	BEARBXRWRLUGPL-LLVKDONJSA-N	-1	0	313.273	0.403	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001601128515	1168589218	/nfs/dbraw/zinc/58/92/18/1168589218.db2.gz	RBMMOHHDHGGKIX-UHFFFAOYSA-N	-1	0	314.305	0.076	20	30		DCEDRM
N#Cc1cnccc1CN1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001601131516	1168591119	/nfs/dbraw/zinc/59/11/19/1168591119.db2.gz	CXHVLYDHKJZCSX-MRXNPFEDSA-N	-1	0	316.361	0.315	20	30		DCEDRM
N#Cc1cncc(CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1	ZINC001601131382	1168591785	/nfs/dbraw/zinc/59/17/85/1168591785.db2.gz	XGVJTWYUAMICJU-NEPJUHHUSA-N	-1	0	309.347	0.626	20	30		DCEDRM
N#Cc1ncc(OCC(=O)NC2(C(=O)[O-])CCCCC2)cn1	ZINC001601134707	1168592910	/nfs/dbraw/zinc/59/29/10/1168592910.db2.gz	YXFXUVANIIEVOH-UHFFFAOYSA-N	-1	0	304.306	0.631	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)CCc2ccccc2C(=O)[O-])n1	ZINC001601135285	1168593229	/nfs/dbraw/zinc/59/32/29/1168593229.db2.gz	NSVYFIAGKIIJRP-UHFFFAOYSA-N	-1	0	313.317	0.597	20	30		DCEDRM
O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1cccc(C#CCO)c1	ZINC001601408521	1168734623	/nfs/dbraw/zinc/73/46/23/1168734623.db2.gz	IBOJWEBHOZKILD-GJZGRUSLSA-N	-1	0	317.341	0.783	20	30		DCEDRM
O=C([O-])c1cc(S(=O)(=O)OCC(F)(F)C(F)F)on1	ZINC001602298314	1169053001	/nfs/dbraw/zinc/05/30/01/1169053001.db2.gz	YUZPCAZFXGRKBD-UHFFFAOYSA-N	-1	0	307.177	0.979	20	30		DCEDRM
C#CCC1(O)CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CC1	ZINC001602699357	1169164683	/nfs/dbraw/zinc/16/46/83/1169164683.db2.gz	CEISBKRZOXQAJB-UHFFFAOYSA-N	-1	0	315.391	0.421	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001602715714	1169167504	/nfs/dbraw/zinc/16/75/04/1169167504.db2.gz	OQRRXJKPVWBFPW-LRDDRELGSA-N	-1	0	304.346	0.041	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NCC[C@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001602725628	1169171693	/nfs/dbraw/zinc/17/16/93/1169171693.db2.gz	DHJNHRBFXQOUHE-WDEREUQCSA-N	-1	0	320.349	0.520	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NCCN(CC)c1ccnc(C(=O)[O-])n1	ZINC001602726162	1169174366	/nfs/dbraw/zinc/17/43/66/1169174366.db2.gz	LVUGSEMBXRZATM-NSHDSACASA-N	-1	0	320.349	0.156	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001602728041	1169174585	/nfs/dbraw/zinc/17/45/85/1169174585.db2.gz	KDDWXKDNUSQAAJ-UHFFFAOYSA-N	-1	0	324.720	0.743	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)CC(=O)[O-])n1	ZINC001602738296	1169176485	/nfs/dbraw/zinc/17/64/85/1169176485.db2.gz	SHUBHIKRHJHVET-GFCCVEGCSA-N	-1	0	307.350	0.602	20	30		DCEDRM
C=C(C)Cn1c([C@@H](C)CO)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001602766145	1169181515	/nfs/dbraw/zinc/18/15/15/1169181515.db2.gz	WITZZBMLELRFJJ-RYUDHWBXSA-N	-1	0	324.381	0.630	20	30		DCEDRM
C=C1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CC1	ZINC001602792153	1169184948	/nfs/dbraw/zinc/18/49/48/1169184948.db2.gz	OQHMVYQFDCOSGJ-OLZOCXBDSA-N	-1	0	306.362	0.781	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001602787985	1169185089	/nfs/dbraw/zinc/18/50/89/1169185089.db2.gz	VTOSPVOLYRVSGU-UHFFFAOYSA-N	-1	0	324.333	0.718	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001602806122	1169186859	/nfs/dbraw/zinc/18/68/59/1169186859.db2.gz	RXPOFMFOOCZGCE-NWDGAFQWSA-N	-1	0	308.378	0.980	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1CC(=C)C	ZINC001602821037	1169188533	/nfs/dbraw/zinc/18/85/33/1169188533.db2.gz	SUVGUUNWYOYKII-TUAOUCFPSA-N	-1	0	322.365	0.752	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001602842547	1169192817	/nfs/dbraw/zinc/19/28/17/1169192817.db2.gz	KLHWYEWKBXGJLQ-SDDRHHMPSA-N	-1	0	305.396	0.734	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)C1	ZINC001602855621	1169192329	/nfs/dbraw/zinc/19/23/29/1169192329.db2.gz	VUOBVXFNDMRVCR-ABAIWWIYSA-N	-1	0	310.350	0.113	20	30		DCEDRM
C=CC[C@@H]1CCN1C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001602855202	1169192373	/nfs/dbraw/zinc/19/23/73/1169192373.db2.gz	JYNDYMQVWYKQLU-LLVKDONJSA-N	-1	0	320.349	0.818	20	30		DCEDRM
C=CCC1(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])CCOCC1	ZINC001602849188	1169193015	/nfs/dbraw/zinc/19/30/15/1169193015.db2.gz	FQMJDSBNPMTJCY-GFCCVEGCSA-N	-1	0	307.350	0.895	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1cnccc1-c1nn[nH]n1	ZINC001602863751	1169194753	/nfs/dbraw/zinc/19/47/53/1169194753.db2.gz	OAUQQFIEAMFDAB-MRVPVSSYSA-N	-1	0	302.294	0.109	20	30		DCEDRM
C=CCCC(=O)N1CC[C@H](CNc2ccnc(C(=O)[O-])n2)C1	ZINC001602855909	1169194984	/nfs/dbraw/zinc/19/49/84/1169194984.db2.gz	IOEHLTFNCYVVFD-LLVKDONJSA-N	-1	0	304.350	0.823	20	30		DCEDRM
C=CCNC(=O)COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001602901459	1169201732	/nfs/dbraw/zinc/20/17/32/1169201732.db2.gz	LYOKPMUCDXXFLP-UHFFFAOYSA-N	-1	0	308.246	0.752	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC001602908860	1169202001	/nfs/dbraw/zinc/20/20/01/1169202001.db2.gz	HLLFGEALSUMPSI-LBPRGKRZSA-N	-1	0	308.290	0.909	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001602902053	1169202017	/nfs/dbraw/zinc/20/20/17/1169202017.db2.gz	MCTOFOVPHNEJKL-QMMMGPOBSA-N	-1	0	324.289	0.843	20	30		DCEDRM
C=CCNc1ncc(C(=O)N2CCN(CC(=O)[O-])CC2)s1	ZINC001602905282	1169202049	/nfs/dbraw/zinc/20/20/49/1169202049.db2.gz	XSPUFVGATMCIEP-UHFFFAOYSA-N	-1	0	310.379	0.583	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCOC1CCOCC1)C(=O)[O-]	ZINC001602910378	1169203074	/nfs/dbraw/zinc/20/30/74/1169203074.db2.gz	XJTSLMISVRGIAB-LBPRGKRZSA-N	-1	0	301.339	0.344	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccccc1C(=O)OC)C(=O)[O-]	ZINC001602909079	1169203411	/nfs/dbraw/zinc/20/34/11/1169203411.db2.gz	MXNMYYCFPAVBDV-CYBMUJFWSA-N	-1	0	321.329	0.788	20	30		DCEDRM
C=CCOCCCC(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001602915274	1169204743	/nfs/dbraw/zinc/20/47/43/1169204743.db2.gz	ILIITGPHZGDWLC-STQMWFEESA-N	-1	0	324.377	0.359	20	30		DCEDRM
C=CCn1c(CC(C)(C)O)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001602933569	1169211299	/nfs/dbraw/zinc/21/12/99/1169211299.db2.gz	ZHGOCLFOQBKPFQ-GHMZBOCLSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C[C@@H](C#N)CN(C(=O)Cc1ccc(-c2nn[nH]n2)nc1)C1CC1	ZINC001602983653	1169224693	/nfs/dbraw/zinc/22/46/93/1169224693.db2.gz	LOUMHPXRENTGCT-JTQLQIEISA-N	-1	0	311.349	0.955	20	30		DCEDRM
CC(=O)NCc1ccc(C(=O)N(CC#N)CCC(=O)[O-])s1	ZINC001603050068	1169240844	/nfs/dbraw/zinc/24/08/44/1169240844.db2.gz	SFBKXYABKVYFKW-UHFFFAOYSA-N	-1	0	309.347	0.825	20	30		DCEDRM
C[C@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001603161290	1169261143	/nfs/dbraw/zinc/26/11/43/1169261143.db2.gz	PJHBFISIIICUNZ-PWSUYJOCSA-N	-1	0	313.317	0.695	20	30		DCEDRM
C[C@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001603161292	1169261544	/nfs/dbraw/zinc/26/15/44/1169261544.db2.gz	PJHBFISIIICUNZ-ZYHUDNBSSA-N	-1	0	313.317	0.695	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001603230622	1169276548	/nfs/dbraw/zinc/27/65/48/1169276548.db2.gz	PXOSRJPEDFNESD-WDEREUQCSA-N	-1	0	300.380	0.909	20	30		DCEDRM
CC(C)CCO[C@@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001603282662	1169286746	/nfs/dbraw/zinc/28/67/46/1169286746.db2.gz	HVMUJCZKJKRRDN-QMMMGPOBSA-N	-1	0	318.341	0.851	20	30		DCEDRM
CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2ncnn2C)o1	ZINC001603406825	1169303018	/nfs/dbraw/zinc/30/30/18/1169303018.db2.gz	CPCVDACDZQGQTH-UHFFFAOYSA-N	-1	0	302.302	0.553	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001603443753	1169306947	/nfs/dbraw/zinc/30/69/47/1169306947.db2.gz	YDSKBUFVLIRKQT-SNVBAGLBSA-N	-1	0	320.378	0.930	20	30		DCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)c2ccsc2C(=O)[O-])CCO1	ZINC001604484307	1169602158	/nfs/dbraw/zinc/60/21/58/1169602158.db2.gz	FKMVLZKTLNYSFS-LLVKDONJSA-N	-1	0	316.360	0.749	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CCO1	ZINC001604484310	1169602264	/nfs/dbraw/zinc/60/22/64/1169602264.db2.gz	FLJWWBZGMPWVSK-LOWVWBTDSA-N	-1	0	316.379	0.574	20	30		DCEDRM
CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001604509079	1169607499	/nfs/dbraw/zinc/60/74/99/1169607499.db2.gz	PFJUXVGLZRJPJR-VXGBXAGGSA-N	-1	0	324.358	0.694	20	30		DCEDRM
CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1cc(C#N)ccn1)C(=O)[O-]	ZINC001604935285	1169754392	/nfs/dbraw/zinc/75/43/92/1169754392.db2.gz	IQJRPUMYOMRQHX-NOZJJQNGSA-N	-1	0	319.317	0.726	20	30		DCEDRM
COC(=O)c1cc(Cn2cnc(-c3nnn[n-]3)c2C#N)c(C)o1	ZINC001604967011	1169767098	/nfs/dbraw/zinc/76/70/98/1169767098.db2.gz	ZCKRRNZFUGJZLW-UHFFFAOYSA-N	-1	0	313.277	0.671	20	30		DCEDRM
CCOC(=O)c1[nH]c(C)c(C(=O)CN(CC#N)CC(=O)[O-])c1C	ZINC001605563055	1169961542	/nfs/dbraw/zinc/96/15/42/1169961542.db2.gz	OVWKSTNIFHQUFX-UHFFFAOYSA-N	-1	0	321.333	0.901	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1ccnc(N(C)C)c1	ZINC001606018416	1170051257	/nfs/dbraw/zinc/05/12/57/1170051257.db2.gz	VYWATRPUOVAQEB-UHFFFAOYSA-N	-1	0	309.337	0.753	20	30		DCEDRM
CN([C@]1(C#N)CCOC1)S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC001606072074	1170069520	/nfs/dbraw/zinc/06/95/20/1170069520.db2.gz	HBHYHNOLJJOJCZ-NSHDSACASA-N	-1	0	316.360	0.749	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(Cl)c(C#N)c1	ZINC001606322724	1170158878	/nfs/dbraw/zinc/15/88/78/1170158878.db2.gz	BASVZGPOVUWIRW-JTQLQIEISA-N	-1	0	310.693	0.958	20	30		DCEDRM
N#CC1(CNc2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)CC1	ZINC001606342954	1170163335	/nfs/dbraw/zinc/16/33/35/1170163335.db2.gz	IMZCNEDXQLQPOC-UHFFFAOYSA-N	-1	0	319.350	0.230	20	30		DCEDRM
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(O)(C(=O)[O-])CC1	ZINC001606341473	1170163373	/nfs/dbraw/zinc/16/33/73/1170163373.db2.gz	JATPKFDCOCPMBF-ZDUSSCGKSA-N	-1	0	318.329	0.684	20	30		DCEDRM
N#Cc1ncc(NC[C@H](O)c2ccccc2)nc1-c1nnn[n-]1	ZINC001606398275	1170183382	/nfs/dbraw/zinc/18/33/82/1170183382.db2.gz	UMUIUBNPNIPDRD-NSHDSACASA-N	-1	0	308.305	0.674	20	30		DCEDRM
N#Cc1ncc(NCCO[C@H]2CC2(F)F)nc1-c1nnn[n-]1	ZINC001606398321	1170183607	/nfs/dbraw/zinc/18/36/07/1170183607.db2.gz	WKQJIARLKDBLJP-ZETCQYMHSA-N	-1	0	308.252	0.364	20	30		DCEDRM
N#Cc1ncc(N2CCOCC(F)(F)C2)nc1-c1nnn[n-]1	ZINC001606397168	1170183978	/nfs/dbraw/zinc/18/39/78/1170183978.db2.gz	JQMQCTJXHLQBDR-UHFFFAOYSA-N	-1	0	308.252	0.000	20	30		DCEDRM
N#Cc1ncc(N[C@H]2CCO[C@H](C3CC3)C2)nc1-c1nnn[n-]1	ZINC001606397961	1170184303	/nfs/dbraw/zinc/18/43/03/1170184303.db2.gz	FEHXYNXKLIGBTO-ONGXEEELSA-N	-1	0	312.337	0.898	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])/N=C\c1c(CO)cnc(C)c1O	ZINC001606501714	1170220994	/nfs/dbraw/zinc/22/09/94/1170220994.db2.gz	KETKNSDZSCRQRE-HYDYUIDNSA-N	-1	0	310.306	0.413	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC001606500888	1170221008	/nfs/dbraw/zinc/22/10/08/1170221008.db2.gz	HFJHAYOICRWCKP-JOYOIKCWSA-N	-1	0	321.285	0.885	20	30		DCEDRM
COC(=O)c1ccc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)nc1	ZINC001606592925	1170239047	/nfs/dbraw/zinc/23/90/47/1170239047.db2.gz	MQGLCPWZROYUHB-UHFFFAOYSA-N	-1	0	313.269	0.648	20	30		DCEDRM
COC(=O)c1cccc(CN2CC[C@](O)(C(=O)[O-])C2)c1C#N	ZINC001606616449	1170243213	/nfs/dbraw/zinc/24/32/13/1170243213.db2.gz	KLTGXWBCIYYBIM-OAHLLOKOSA-N	-1	0	304.302	0.366	20	30		DCEDRM
COCc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H](C)C#N)c1	ZINC001606940914	1170335602	/nfs/dbraw/zinc/33/56/02/1170335602.db2.gz	OEDOSZYBVCNZDY-VIFPVBQESA-N	-1	0	312.347	0.969	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)NC(C)(C)C(=O)[O-]	ZINC001607065707	1170377588	/nfs/dbraw/zinc/37/75/88/1170377588.db2.gz	WCDVGNNXSHAZCD-UHFFFAOYSA-N	-1	0	305.290	0.485	20	30		DCEDRM
COc1cc(CC(=O)N(CC#N)CC(=O)[O-])cc(OC)c1O	ZINC001607152851	1170411000	/nfs/dbraw/zinc/41/10/00/1170411000.db2.gz	AROJGUGBHNENFT-UHFFFAOYSA-N	-1	0	308.290	0.389	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1C(=O)[O-]	ZINC001607427804	1170450948	/nfs/dbraw/zinc/45/09/48/1170450948.db2.gz	LZIQZJFZVCJKLK-LDYMZIIASA-N	-1	0	319.292	0.815	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001607484431	1170466021	/nfs/dbraw/zinc/46/60/21/1170466021.db2.gz	KBHYYHANTIAPED-JTQLQIEISA-N	-1	0	314.305	0.572	20	30		DCEDRM
Cc1cc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])ncc1C#N	ZINC001607575769	1170478700	/nfs/dbraw/zinc/47/87/00/1170478700.db2.gz	KULQDCKCZWXDKT-LLVKDONJSA-N	-1	0	305.290	0.208	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)ncc1C#N	ZINC001607671037	1170492296	/nfs/dbraw/zinc/49/22/96/1170492296.db2.gz	JSTKPUHMROLSLI-MWLCHTKSSA-N	-1	0	316.317	0.522	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCO[C@@](C)(C#N)C2)c1C(=O)[O-]	ZINC001607862015	1170514296	/nfs/dbraw/zinc/51/42/96/1170514296.db2.gz	KXNHHYOEYPQQAV-AWEZNQCLSA-N	-1	0	324.358	0.996	20	30		DCEDRM
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H]3C(=O)[O-])CC2)o1	ZINC001607943053	1170530384	/nfs/dbraw/zinc/53/03/84/1170530384.db2.gz	GDKIQSJSRKZTER-GFCCVEGCSA-N	-1	0	318.333	0.757	20	30		DCEDRM
Cn1nc(-c2ccncc2)cc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001608139214	1170590730	/nfs/dbraw/zinc/59/07/30/1170590730.db2.gz	KVTULIYBTCIHJJ-UHFFFAOYSA-N	-1	0	313.317	0.923	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(CN2C[C@H]3CCCCN3C2=O)CC1	ZINC001608174794	1170609193	/nfs/dbraw/zinc/60/91/93/1170609193.db2.gz	YJLQPVWDMNWJQK-GFCCVEGCSA-N	-1	0	306.366	0.924	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1	ZINC001608181608	1170610519	/nfs/dbraw/zinc/61/05/19/1170610519.db2.gz	MTWZGIMIFWWGSR-JTQLQIEISA-N	-1	0	316.317	0.871	20	30		DCEDRM
N#CCCN1CCN(C(=O)Nc2cncc(C(=O)[O-])c2)CC1	ZINC001608184080	1170611261	/nfs/dbraw/zinc/61/12/61/1170611261.db2.gz	KPDFYLICAOAVOU-UHFFFAOYSA-N	-1	0	303.322	0.843	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001608187058	1170612526	/nfs/dbraw/zinc/61/25/26/1170612526.db2.gz	KZRFXYAZJRLQEG-LLVKDONJSA-N	-1	0	320.301	0.535	20	30		DCEDRM
N#C[C@]12CN(Cc3cncc(C(=O)[O-])c3)C[C@H]1CS(=O)(=O)C2	ZINC001608191423	1170613764	/nfs/dbraw/zinc/61/37/64/1170613764.db2.gz	LLRPAXMIPJOKHJ-GXTWGEPZSA-N	-1	0	321.358	0.150	20	30		DCEDRM
N#Cc1cc(CNS(=O)(=O)c2occc2C(=O)[O-])ccn1	ZINC001608196937	1170613976	/nfs/dbraw/zinc/61/39/76/1170613976.db2.gz	LYTSOXYVIJTFLI-UHFFFAOYSA-N	-1	0	307.287	0.723	20	30		DCEDRM
N#Cc1ccc(N2CCN(c3ccc(C(=O)[O-])nn3)CC2)nc1	ZINC001608205567	1170614526	/nfs/dbraw/zinc/61/45/26/1170614526.db2.gz	HVAHTZVNXURPCG-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])cc1	ZINC001608200445	1170614598	/nfs/dbraw/zinc/61/45/98/1170614598.db2.gz	JRYUOQRIRQKIAY-CHWSQXEVSA-N	-1	0	315.329	0.658	20	30		DCEDRM
N#Cc1ccc(CCNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)cc1	ZINC001608204353	1170614656	/nfs/dbraw/zinc/61/46/56/1170614656.db2.gz	CRHCGRXJYCVGFC-UHFFFAOYSA-N	-1	0	320.330	0.501	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCSC[C@H]2CC(=O)[O-])o1	ZINC001608210615	1170616158	/nfs/dbraw/zinc/61/61/58/1170616158.db2.gz	OLKGMJCZGDBRPM-MRVPVSSYSA-N	-1	0	316.360	0.732	20	30		DCEDRM
N#Cc1cccc([C@@H](C(=O)[O-])N2CCN3C(=O)OC[C@H]3C2)c1	ZINC001608215957	1170616944	/nfs/dbraw/zinc/61/69/44/1170616944.db2.gz	UOIJJZKUPAFLBR-OLZOCXBDSA-N	-1	0	301.302	0.820	20	30		DCEDRM
N#Cc1ccncc1C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001608220640	1170618662	/nfs/dbraw/zinc/61/86/62/1170618662.db2.gz	HYNSAGISTIMVRM-NSHDSACASA-N	-1	0	303.274	0.186	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC001609090078	1170807629	/nfs/dbraw/zinc/80/76/29/1170807629.db2.gz	ZAGGJKLLKHRALZ-NSHDSACASA-N	-1	0	312.303	0.491	20	30		DCEDRM
C#CCCCNC(=O)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC001609106647	1170811347	/nfs/dbraw/zinc/81/13/47/1170811347.db2.gz	HQDPWPZECHTOQB-UHFFFAOYSA-N	-1	0	306.318	0.774	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001609221846	1170879245	/nfs/dbraw/zinc/87/92/45/1170879245.db2.gz	ZDOOFHZIDBDBAO-VIFPVBQESA-N	-1	0	321.366	0.432	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC001609248470	1170895904	/nfs/dbraw/zinc/89/59/04/1170895904.db2.gz	YOMZVBQUSVPVBT-HNNXBMFYSA-N	-1	0	312.366	0.409	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1	ZINC001609264318	1170903031	/nfs/dbraw/zinc/90/30/31/1170903031.db2.gz	LFYDUQBEJYVYCP-NEPJUHHUSA-N	-1	0	324.381	0.924	20	30		DCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1	ZINC001609356916	1170950031	/nfs/dbraw/zinc/95/00/31/1170950031.db2.gz	SIFFPWGLJQBZAD-UHFFFAOYSA-N	-1	0	323.393	0.194	20	30		DCEDRM
C=CCN1CC[C@@H](n2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)C1=O	ZINC001609398793	1170968399	/nfs/dbraw/zinc/96/83/99/1170968399.db2.gz	ITPYWDHYMVHHNS-SECBINFHSA-N	-1	0	307.262	0.414	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C[C@@H]1CCOC[C@@H]1OC)C(=O)[O-]	ZINC001609432277	1170975123	/nfs/dbraw/zinc/97/51/23/1170975123.db2.gz	LJFANDMHGPKMQK-SRVKXCTJSA-N	-1	0	301.339	0.200	20	30		DCEDRM
N#Cc1nc(NC(=O)C(=O)c2ccccc2)[n-]c1-c1nn[nH]n1	ZINC001609496279	1170997395	/nfs/dbraw/zinc/99/73/95/1170997395.db2.gz	BVZJRNKRAPSFJG-UHFFFAOYSA-N	-1	0	308.261	0.283	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCCOCC2)[n-]c1-c1nn[nH]n1	ZINC001609496403	1170998126	/nfs/dbraw/zinc/99/81/26/1170998126.db2.gz	JUANHWWBWZBXAF-SSDOTTSWSA-N	-1	0	302.298	0.217	20	30		DCEDRM
C[C@H](C#N)CN(CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O)C1CC1	ZINC001609631319	1171055621	/nfs/dbraw/zinc/05/56/21/1171055621.db2.gz	XPNKWOJKCRLWPN-MEBBXXQBSA-N	-1	0	322.365	0.743	20	30		DCEDRM
C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)n1cnc(C#N)n1	ZINC001609632388	1171056037	/nfs/dbraw/zinc/05/60/37/1171056037.db2.gz	NWLBYVYPNPWLKK-GXSJLCMTSA-N	-1	0	311.301	0.926	20	30		DCEDRM
CC(C)CN(CCC#N)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O	ZINC001609697829	1171068684	/nfs/dbraw/zinc/06/86/84/1171068684.db2.gz	RWAJVVDQXOVRKB-OAHLLOKOSA-N	-1	0	324.381	0.991	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC001609814462	1171093011	/nfs/dbraw/zinc/09/30/11/1171093011.db2.gz	LEEIVLDHXMBKBV-OAHLLOKOSA-N	-1	0	316.317	0.605	20	30		DCEDRM
CCc1ccc(C#CC(=O)N[C@H](CC(=O)[O-])C(=O)OC)cc1	ZINC001610060132	1171148439	/nfs/dbraw/zinc/14/84/39/1171148439.db2.gz	BNKSHVQUONJCNI-CYBMUJFWSA-N	-1	0	303.314	0.733	20	30		DCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001610120158	1171163693	/nfs/dbraw/zinc/16/36/93/1171163693.db2.gz	IJJXVOANTAYHAZ-BETUJISGSA-N	-1	0	315.329	0.496	20	30		DCEDRM
CN1CC[C@@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1=O	ZINC001610128827	1171164697	/nfs/dbraw/zinc/16/46/97/1171164697.db2.gz	DPBRPXWHAAAPHA-NEPJUHHUSA-N	-1	0	302.286	0.705	20	30		DCEDRM
CN1CC[C@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1=O	ZINC001610128829	1171164812	/nfs/dbraw/zinc/16/48/12/1171164812.db2.gz	DPBRPXWHAAAPHA-RYUDHWBXSA-N	-1	0	302.286	0.705	20	30		DCEDRM
COCC[C@@](C)(C#N)NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC001610254509	1171209921	/nfs/dbraw/zinc/20/99/21/1171209921.db2.gz	UIVYWWMJYWZKRO-LBPRGKRZSA-N	-1	0	316.335	0.883	20	30		DCEDRM
COCCN(CC#N)CN1Cc2ccc(C(=O)[O-])cc2C1=O	ZINC001610257863	1171211635	/nfs/dbraw/zinc/21/16/35/1171211635.db2.gz	IJPAXJMIBBCCBC-UHFFFAOYSA-N	-1	0	303.318	0.770	20	30		DCEDRM
COCc1cc(C(=O)[O-])cc(S(=O)(=O)N2CC(C#N)C2)c1	ZINC001610266218	1171213793	/nfs/dbraw/zinc/21/37/93/1171213793.db2.gz	ZCKVGZQGTYWXHK-UHFFFAOYSA-N	-1	0	310.331	0.675	20	30		DCEDRM
Cc1cc(C#N)c(=O)n(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1	ZINC001610433492	1171235397	/nfs/dbraw/zinc/23/53/97/1171235397.db2.gz	XXHCJGABOCRDDE-LBPRGKRZSA-N	-1	0	305.334	0.644	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN(CC(=O)[O-])C2CC2)nc1	ZINC001610629891	1171272682	/nfs/dbraw/zinc/27/26/82/1171272682.db2.gz	BYNUHWCBYFBGDT-UHFFFAOYSA-N	-1	0	309.347	0.276	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1	ZINC001610626914	1171272885	/nfs/dbraw/zinc/27/28/85/1171272885.db2.gz	BBNXKIFQKBOYJU-CYBMUJFWSA-N	-1	0	312.322	0.887	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NCC2(C(=O)[O-])CCOCC2)nc1	ZINC001610629493	1171273036	/nfs/dbraw/zinc/27/30/36/1171273036.db2.gz	XASINFZTDPCZFA-UHFFFAOYSA-N	-1	0	318.333	0.363	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NCC1(C(N)=O)CCOCC1	ZINC001610634349	1171273718	/nfs/dbraw/zinc/27/37/18/1171273718.db2.gz	XVBWZHUPJGAZCV-UHFFFAOYSA-N	-1	0	304.306	0.345	20	30		DCEDRM
C#C[C@H](CO)NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-]	ZINC001625165379	1171465462	/nfs/dbraw/zinc/46/54/62/1171465462.db2.gz	LLHAATRUUGIUBC-SECBINFHSA-N	-1	0	307.256	0.580	20	30		DCEDRM
C=CCC(C)(C)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001628416725	1171526750	/nfs/dbraw/zinc/52/67/50/1171526750.db2.gz	KHBNVPVUEZZOCI-UHFFFAOYSA-N	-1	0	304.350	0.929	20	30		DCEDRM
C=CCCO[N-]C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12	ZINC001641575193	1171921056	/nfs/dbraw/zinc/92/10/56/1171921056.db2.gz	KRJRPPRQQQJIPQ-UHFFFAOYSA-N	-1	0	324.362	0.465	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cccc(-n3cncn3)c2)c(C#N)c1=O	ZINC001642298722	1171941148	/nfs/dbraw/zinc/94/11/48/1171941148.db2.gz	KGZHPHSVHWQXJI-UHFFFAOYSA-N	-1	0	323.316	0.138	20	30		DCEDRM
CC(C)CCOC1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001646629875	1172448846	/nfs/dbraw/zinc/44/88/46/1172448846.db2.gz	YQONVQACWVHIEJ-UHFFFAOYSA-N	-1	0	320.393	0.977	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCOCC2)s1	ZINC001649714960	1173180663	/nfs/dbraw/zinc/18/06/63/1173180663.db2.gz	AFXKBJRECOGKHX-UHFFFAOYSA-N	-1	0	300.361	0.858	20	30		DCEDRM
CC[C@@](C)(C#N)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001650032936	1173395610	/nfs/dbraw/zinc/39/56/10/1173395610.db2.gz	IRKPQOGGYGCWDL-GJZGRUSLSA-N	-1	0	309.366	0.314	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCCC3(CCOCC3)C2)c(C#N)c1=O	ZINC001650226658	1173524054	/nfs/dbraw/zinc/52/40/54/1173524054.db2.gz	FMMXSGSUCPJVPT-UHFFFAOYSA-N	-1	0	304.350	0.342	20	30		DCEDRM
Cc1nc2ccccn2c1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001651500912	1173750680	/nfs/dbraw/zinc/75/06/80/1173750680.db2.gz	IKFJDXORYDQWBB-UHFFFAOYSA-N	-1	0	310.317	0.514	20	30		DCEDRM
CC#CCCCC(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[nH]1	ZINC001656085377	1173834778	/nfs/dbraw/zinc/83/47/78/1173834778.db2.gz	TZGSTHIPZHHZLB-CYBMUJFWSA-N	-1	0	319.409	0.335	20	30		DCEDRM
CC#CCCCC(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1	ZINC001656085387	1173835307	/nfs/dbraw/zinc/83/53/07/1173835307.db2.gz	TZGSTHIPZHHZLB-ZDUSSCGKSA-N	-1	0	319.409	0.335	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1	ZINC001674126084	1175256807	/nfs/dbraw/zinc/25/68/07/1175256807.db2.gz	AIKNUXFSJKWVAV-VXGBXAGGSA-N	-1	0	321.381	0.019	20	30		DCEDRM
C=C(C)COCCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001680423370	1175815897	/nfs/dbraw/zinc/81/58/97/1175815897.db2.gz	BEPGGAZEEMJXAA-LLVKDONJSA-N	-1	0	309.370	0.992	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001689708388	1177012543	/nfs/dbraw/zinc/01/25/43/1177012543.db2.gz	FNRWIEDLLOJVMR-OAHLLOKOSA-N	-1	0	322.365	0.347	20	30		DCEDRM
CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@@H](C)CO2)n1	ZINC001692131158	1177422194	/nfs/dbraw/zinc/42/21/94/1177422194.db2.gz	ZYXIGUIZANFIKO-YPMHNXCESA-N	-1	0	318.377	0.336	20	30		DCEDRM
C=C[C@H](CC)CC(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001704232594	1179941195	/nfs/dbraw/zinc/94/11/95/1179941195.db2.gz	MXWKAYCKFJUUSL-SECBINFHSA-N	-1	0	323.353	0.073	20	30		DCEDRM
C=CCCOCC(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001705328450	1180346952	/nfs/dbraw/zinc/34/69/52/1180346952.db2.gz	OPYTVWMLAGDMHY-UHFFFAOYSA-N	-1	0	322.365	0.299	20	30		DCEDRM
C=CCCC(=O)N1CC[C@](O)(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001705469631	1180393278	/nfs/dbraw/zinc/39/32/78/1180393278.db2.gz	ZFHKFWBDFSAUJI-HNNXBMFYSA-N	-1	0	322.365	0.083	20	30		DCEDRM
C=C(C)CCC(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001717022984	1182630018	/nfs/dbraw/zinc/63/00/18/1182630018.db2.gz	JKFWIWGYYJADPU-OAHLLOKOSA-N	-1	0	323.397	0.310	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C#CC(C)C)[C@H]2C)c1[O-]	ZINC001718661637	1183312593	/nfs/dbraw/zinc/31/25/93/1183312593.db2.gz	XNDBZTQFKLKTNW-RYUDHWBXSA-N	-1	0	318.377	0.802	20	30		DCEDRM
C#CCCCCC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001720339196	1183570000	/nfs/dbraw/zinc/57/00/00/1183570000.db2.gz	OSHJFWLBTFFCFN-GFCCVEGCSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001720426079	1183596048	/nfs/dbraw/zinc/59/60/48/1183596048.db2.gz	KJJDXSQVCGHVEG-NSHDSACASA-N	-1	0	322.365	0.347	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001739380479	1187788299	/nfs/dbraw/zinc/78/82/99/1187788299.db2.gz	TZLHXMQPRBUHKP-HNNXBMFYSA-N	-1	0	322.365	0.034	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)C#CC(C)C)c1[O-]	ZINC001747651062	1188277140	/nfs/dbraw/zinc/27/71/40/1188277140.db2.gz	FHBSVVCHMDEQMB-NSHDSACASA-N	-1	0	304.350	0.414	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)CO[C@@H]2CCOC2)c1	ZINC001771619153	1188358027	/nfs/dbraw/zinc/35/80/27/1188358027.db2.gz	ZYEKYLGRNVDAOF-LLVKDONJSA-N	-1	0	310.331	0.169	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)C#CC2CC2)c1[O-]	ZINC001756024936	1189279339	/nfs/dbraw/zinc/27/93/39/1189279339.db2.gz	WPGSJSRQZSGVKN-SECBINFHSA-N	-1	0	304.350	0.414	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)CCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001758359764	1189851647	/nfs/dbraw/zinc/85/16/47/1189851647.db2.gz	WQMPVLJEDRJVQA-OAHLLOKOSA-N	-1	0	324.381	0.329	20	30		DCEDRM
C#CCN(C(=O)CC)C1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001759981462	1190355430	/nfs/dbraw/zinc/35/54/30/1190355430.db2.gz	JUVIPRFWYXGOSN-UHFFFAOYSA-N	-1	0	318.377	0.900	20	30		DCEDRM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NC[C@H](C)C#N	ZINC001771602618	1190447271	/nfs/dbraw/zinc/44/72/71/1190447271.db2.gz	DWVRWOBUXJGTKM-SECBINFHSA-N	-1	0	312.333	0.766	20	30		DCEDRM
C=CCCCC(=O)N1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001042575271	751757026	/nfs/dbraw/zinc/75/70/26/751757026.db2.gz	BDMRGFDTZRCMAR-UHFFFAOYSA-N	-1	0	322.365	0.083	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H](C)CNc2cnc(C#N)cn2)c1[O-]	ZINC001104528252	747686720	/nfs/dbraw/zinc/68/67/20/747686720.db2.gz	CXHMYPAPIJSJMF-MRVPVSSYSA-N	-1	0	315.337	0.658	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H](C)CNc2ccnc(C#N)n2)c1[O-]	ZINC001104532214	747691912	/nfs/dbraw/zinc/69/19/12/747691912.db2.gz	WEGCYVRLXQMWCD-MRVPVSSYSA-N	-1	0	315.337	0.080	20	30		DCEDRM
Cc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc(C)c1C#N	ZINC001167858475	748442086	/nfs/dbraw/zinc/44/20/86/748442086.db2.gz	JQAHHTBDIMSPAM-KWQFWETISA-N	-1	0	310.335	0.384	20	30		DCEDRM
C[C@H]1[C@H](Nc2ccc(CCC#N)cc2)C(=O)N1S(=O)(=O)[O-]	ZINC001167858477	748442473	/nfs/dbraw/zinc/44/24/73/748442473.db2.gz	JREGKWCYHRYKDN-CABZTGNLSA-N	-1	0	309.347	0.957	20	30		DCEDRM
CCc1nc(C#N)cc(N[C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)n1	ZINC001059459041	749199711	/nfs/dbraw/zinc/19/97/11/749199711.db2.gz	YTVIFWIOEMQDMJ-KYZUINATSA-N	-1	0	312.337	0.402	20	30		DCEDRM
N#CCc1ncc(NC(=N)SCCS(=O)(=O)[O-])cn1	ZINC001168090620	749384445	/nfs/dbraw/zinc/38/44/45/749384445.db2.gz	MYXNJKIQVAKARV-UHFFFAOYSA-N	-1	0	301.353	0.510	20	30		DCEDRM
N#Cc1cnc(Cl)nc1NC(=N)SCCS(=O)(=O)[O-]	ZINC001157322268	761958879	/nfs/dbraw/zinc/95/88/79/761958879.db2.gz	YIZFGKBXDIANAR-UHFFFAOYSA-N	-1	0	321.771	0.969	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)OCC	ZINC001112906427	762006988	/nfs/dbraw/zinc/00/69/88/762006988.db2.gz	CEZWMQHQOGMWMJ-LBPRGKRZSA-N	-1	0	323.397	0.526	20	30		DCEDRM
CCOC(=O)[C@@H](C#C[Si](C)(C)C)OCC[P@@](=O)([O-])O	ZINC001224600848	750146040	/nfs/dbraw/zinc/14/60/40/750146040.db2.gz	ACKFXMOVXPPDNI-SNVBAGLBSA-N	-1	0	308.343	0.993	20	30		DCEDRM
C=C(C)CN1CCO[C@@](C)(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001107872890	752459254	/nfs/dbraw/zinc/45/92/54/752459254.db2.gz	VGYGNGZZCXYSIP-HNNXBMFYSA-N	-1	0	308.382	0.821	20	30		DCEDRM
C=CCCCC(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001045450850	753198814	/nfs/dbraw/zinc/19/88/14/753198814.db2.gz	DZFRIEGWKDGCAM-UHFFFAOYSA-N	-1	0	322.365	0.083	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C)c1[O-]	ZINC001072035835	762312090	/nfs/dbraw/zinc/31/20/90/762312090.db2.gz	QLZBGKRVLWLREI-CMPLNLGQSA-N	-1	0	318.377	0.660	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(NC(=O)C#CC3CC3)CCC2)c1[O-]	ZINC001062806841	754984243	/nfs/dbraw/zinc/98/42/43/754984243.db2.gz	VHCBLHVLFYVMCT-UHFFFAOYSA-N	-1	0	316.361	0.606	20	30		DCEDRM
N#CCN1CCC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001052774268	755803224	/nfs/dbraw/zinc/80/32/24/755803224.db2.gz	WZQAJFRHMOYESO-LLVKDONJSA-N	-1	0	314.349	0.130	20	30		DCEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(C(=O)C#CC(C)C)C1	ZINC001079611889	755934567	/nfs/dbraw/zinc/93/45/67/755934567.db2.gz	QQIMDLGWDOGFRL-UHFFFAOYSA-N	-1	0	318.377	0.756	20	30		DCEDRM
C=C1CC(C)(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1	ZINC001084646055	757945293	/nfs/dbraw/zinc/94/52/93/757945293.db2.gz	RAYUWDPEFOYGLH-VXGBXAGGSA-N	-1	0	317.393	0.899	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)c2ccc(C#N)cn2)c1[O-]	ZINC001108901456	761129267	/nfs/dbraw/zinc/12/92/67/761129267.db2.gz	MRZYMVCBHPJYPO-VIFPVBQESA-N	-1	0	314.349	0.945	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001109261342	761339571	/nfs/dbraw/zinc/33/95/71/761339571.db2.gz	ZJWQSTDDWHLDSG-WOPDTQHZSA-N	-1	0	317.393	0.781	20	30		DCEDRM
COC(=O)c1cc([N+](=O)[O-])c([N-][C@@H](C#N)C(N)=O)cc1OC	ZINC001170535043	763630940	/nfs/dbraw/zinc/63/09/40/763630940.db2.gz	FVNTZEHUIZXRNN-QMMMGPOBSA-N	-1	0	308.250	0.179	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001131945753	764142306	/nfs/dbraw/zinc/14/23/06/764142306.db2.gz	ACGUMUFOLCPQEI-GHMZBOCLSA-N	-1	0	309.370	0.182	20	30		DCEDRM
COCC1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCC1	ZINC000813984138	765300861	/nfs/dbraw/zinc/30/08/61/765300861.db2.gz	OWJQULCOKZKSIX-UHFFFAOYSA-N	-1	0	309.347	0.575	20	30		DCEDRM
N#CCCCCS(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001116663796	765893713	/nfs/dbraw/zinc/89/37/13/765893713.db2.gz	SGDYGEPFBIFIAA-SNVBAGLBSA-N	-1	0	300.340	0.019	20	30		DCEDRM
Cn1ncc2cc(S(=O)(=O)[N-]c3n[nH]cc3C#N)cnc21	ZINC001116684868	765897260	/nfs/dbraw/zinc/89/72/60/765897260.db2.gz	MPZHFYCEZPQGAF-UHFFFAOYSA-N	-1	0	303.307	0.364	20	30		DCEDRM
CCC[C@H](C#N)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001136475404	766304705	/nfs/dbraw/zinc/30/47/05/766304705.db2.gz	DATYASUOQJGWPX-SNVBAGLBSA-N	-1	0	301.306	0.688	20	30		DCEDRM
CCON(CC)C(=O)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001147509429	767763598	/nfs/dbraw/zinc/76/35/98/767763598.db2.gz	HVBMESZASSHQAN-UHFFFAOYSA-N	-1	0	306.322	0.497	20	30		DCEDRM
C=CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CCCOCC	ZINC001122582899	767836028	/nfs/dbraw/zinc/83/60/28/767836028.db2.gz	SGJYDPNIFCTCAJ-UHFFFAOYSA-N	-1	0	306.370	0.551	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(OCC(N)=O)c1	ZINC001122625137	767846497	/nfs/dbraw/zinc/84/64/97/767846497.db2.gz	LZVTYNNPHOGJLP-GFCCVEGCSA-N	-1	0	301.302	0.175	20	30		DCEDRM
O=C(NCCc1n[n-]c(=S)o1)c1cccc(C#CCO)c1	ZINC001138524336	768422290	/nfs/dbraw/zinc/42/22/90/768422290.db2.gz	AECASWPGKPXNHR-UHFFFAOYSA-N	-1	0	303.343	0.675	20	30		DCEDRM
N#C[C@H](CO)NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-]	ZINC001140739292	768543837	/nfs/dbraw/zinc/54/38/37/768543837.db2.gz	GYDGRMNCYGVVAR-SECBINFHSA-N	-1	0	306.709	0.846	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCNc2ccc(C#N)cn2)c1[O-]	ZINC001094391392	769026632	/nfs/dbraw/zinc/02/66/32/769026632.db2.gz	ZZHZMUKQFICRQH-UHFFFAOYSA-N	-1	0	300.322	0.922	20	30		DCEDRM
C=CCCCC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1	ZINC001150203691	769037853	/nfs/dbraw/zinc/03/78/53/769037853.db2.gz	WKWHVZSYIPCMFN-LBPRGKRZSA-N	-1	0	323.397	0.574	20	30		DCEDRM
C=C[C@@H](OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC)C(=O)OC	ZINC001234353654	769633888	/nfs/dbraw/zinc/63/38/88/769633888.db2.gz	CHLQUBKALHLRMA-ZCFIWIBFSA-N	-1	0	313.262	0.400	20	30		DCEDRM
N#Cc1cnn2c1ncc(C#N)c2Nc1cnn(CC(=O)[O-])c1	ZINC001176265001	770066349	/nfs/dbraw/zinc/06/63/49/770066349.db2.gz	RTAMDUPWMYYIIN-UHFFFAOYSA-N	-1	0	308.261	0.497	20	30		DCEDRM
COc1nc(-c2ccc([O-])c(C#N)c2)nc(N2CCOCC2)n1	ZINC001242563273	770286590	/nfs/dbraw/zinc/28/65/90/770286590.db2.gz	DHFQYVNYLQFWKY-UHFFFAOYSA-N	-1	0	313.317	0.961	20	30		DCEDRM
N#Cc1c(N)nn(C(=O)CSc2n[n-]c(=S)s2)c1N	ZINC001177336920	770413154	/nfs/dbraw/zinc/41/31/54/770413154.db2.gz	CTRTZXAIWXBFGS-UHFFFAOYSA-N	-1	0	313.393	0.492	20	30		DCEDRM
N#Cc1ccc2c(c1)n[nH]c2C(=O)N[C@H]1SC(=O)[N-]C1=O	ZINC001156889036	770955272	/nfs/dbraw/zinc/95/52/72/770955272.db2.gz	DPDPWEQTMLFRNR-NSHDSACASA-N	-1	0	301.287	0.473	20	30		DCEDRM
C[C@H]1[C@H](Nc2ncc(Cl)cc2C#N)C(=O)N1S(=O)(=O)[O-]	ZINC001157071382	771527142	/nfs/dbraw/zinc/52/71/42/771527142.db2.gz	RTRHRBVAXHJQFQ-XNCJUZBTSA-N	-1	0	316.726	0.421	20	30		DCEDRM
N#Cc1c(Cl)ncnc1NC(=N)SCCS(=O)(=O)[O-]	ZINC001157322194	771586404	/nfs/dbraw/zinc/58/64/04/771586404.db2.gz	UWLRRJXHZQMECI-UHFFFAOYSA-N	-1	0	321.771	0.969	20	30		DCEDRM
COc1ccc(C(=O)C(=O)N([O-])C(=N)c2nonc2N)cc1	ZINC001183348952	771642030	/nfs/dbraw/zinc/64/20/30/771642030.db2.gz	YFURFDIRNRSAQR-UHFFFAOYSA-N	-1	0	305.250	0.086	20	30		DCEDRM
C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCc2nnn[n-]2)C1	ZINC001183626365	771678894	/nfs/dbraw/zinc/67/88/94/771678894.db2.gz	ZLQMNTIDDSYFAG-AWEZNQCLSA-N	-1	0	322.369	0.772	20	30		DCEDRM
CCCC#CC(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001184274218	771762667	/nfs/dbraw/zinc/76/26/67/771762667.db2.gz	KILQLUOHALOQJI-LLVKDONJSA-N	-1	0	324.339	0.333	20	30		DCEDRM
CSc1ncc([O-])c(C(=O)N=C(N)c2ccc(F)cn2)n1	ZINC001185188331	771875986	/nfs/dbraw/zinc/87/59/86/771875986.db2.gz	XBIXSHYNJWWHNM-UHFFFAOYSA-N	-1	0	307.310	0.984	20	30		DCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2	ZINC001186899192	772102401	/nfs/dbraw/zinc/10/24/01/772102401.db2.gz	NKFRHDNAUCSWDT-UHFFFAOYSA-N	-1	0	315.314	0.644	20	30		DCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2	ZINC001186896272	772102517	/nfs/dbraw/zinc/10/25/17/772102517.db2.gz	MZMOYNOUOBCZKT-UHFFFAOYSA-N	-1	0	304.287	0.842	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)[N-]c2nccn3cnnc23)c1	ZINC001190616254	772645427	/nfs/dbraw/zinc/64/54/27/772645427.db2.gz	NFJXLINJAKEYOV-UHFFFAOYSA-N	-1	0	318.293	0.936	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cncc(C(N)=O)c2)c1	ZINC001190616440	772645900	/nfs/dbraw/zinc/64/59/00/772645900.db2.gz	PXLLHCGHUMNXNZ-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F	ZINC001190616457	772646008	/nfs/dbraw/zinc/64/60/08/772646008.db2.gz	QNIMCUZNJWXVNA-UHFFFAOYSA-N	-1	0	323.309	0.331	20	30		DCEDRM
CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)CSCC#N	ZINC001151953722	772776202	/nfs/dbraw/zinc/77/62/02/772776202.db2.gz	DRGUBIJBSPLDSV-SECBINFHSA-N	-1	0	312.399	0.094	20	30		DCEDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(C)c2C#N)cc1	ZINC001191579851	772785336	/nfs/dbraw/zinc/78/53/36/772785336.db2.gz	TYYYSNOYADJLFD-UHFFFAOYSA-N	-1	0	319.346	0.452	20	30		DCEDRM
N#C[C@H]1CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1	ZINC001192702872	772948608	/nfs/dbraw/zinc/94/86/08/772948608.db2.gz	QLYGGYIFNHEHCB-SNVBAGLBSA-N	-1	0	310.331	0.684	20	30		DCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC001193206353	773024699	/nfs/dbraw/zinc/02/46/99/773024699.db2.gz	CJKWGLDOSBGZKP-SNVBAGLBSA-N	-1	0	323.378	0.933	20	30		DCEDRM
COc1ccnc(C(=O)Nc2nc(C#N)c(C#N)nc2N)c1[O-]	ZINC001193524509	773078103	/nfs/dbraw/zinc/07/81/03/773078103.db2.gz	DNMFSXFYLBNZOP-UHFFFAOYSA-N	-1	0	311.261	0.164	20	30		DCEDRM
Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195764601	773469966	/nfs/dbraw/zinc/46/99/66/773469966.db2.gz	MRZYUUYQWFSCMF-UHFFFAOYSA-N	-1	0	315.245	0.713	20	30		DCEDRM
C=CCC(C)(C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC	ZINC001213497834	773854777	/nfs/dbraw/zinc/85/47/77/773854777.db2.gz	JBTKABZGEQSURZ-GHMZBOCLSA-N	-1	0	323.397	0.428	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ccc(C#N)cn1	ZINC001222982182	775448592	/nfs/dbraw/zinc/44/85/92/775448592.db2.gz	PSMJBUSUSIGCMB-CYBMUJFWSA-N	-1	0	312.347	0.929	20	30		DCEDRM
CCOC(=O)[C@@H](C#C[Si](C)(C)C)OCCS(=O)(=O)[O-]	ZINC001224572105	775585493	/nfs/dbraw/zinc/58/54/93/775585493.db2.gz	RAWYHKXOLZVUSB-SNVBAGLBSA-N	-1	0	308.428	0.703	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncnc2cc[nH]c21	ZINC001226406769	775813175	/nfs/dbraw/zinc/81/31/75/775813175.db2.gz	WNNVVDLENVEABN-SECBINFHSA-N	-1	0	313.335	0.796	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nccc2nc[nH]c21	ZINC001228736194	776119219	/nfs/dbraw/zinc/11/92/19/776119219.db2.gz	LVFYWNMEJSDDFM-SECBINFHSA-N	-1	0	313.335	0.796	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c(C)ncnc1C	ZINC001228854734	776131678	/nfs/dbraw/zinc/13/16/78/776131678.db2.gz	VQKSDGRUPFOLAC-LLVKDONJSA-N	-1	0	302.352	0.931	20	30		DCEDRM
C#CCCCC(=O)NC[C@H](CC)Nc1ccnc(C(=O)[O-])n1	ZINC001602701518	1169166395	/nfs/dbraw/zinc/16/63/95/1169166395.db2.gz	MEOYCNOVQQNCBV-NSHDSACASA-N	-1	0	304.350	0.707	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-]	ZINC001602757763	1169178718	/nfs/dbraw/zinc/17/87/18/1169178718.db2.gz	VQZRLNRVTWDPFH-LLVKDONJSA-N	-1	0	312.347	0.483	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccccc1C(=O)OC)C(=O)[O-]	ZINC001602913470	1169204058	/nfs/dbraw/zinc/20/40/58/1169204058.db2.gz	RAWCBMLHSZBAQL-LBPRGKRZSA-N	-1	0	307.302	0.859	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2ccc(S(C)(=O)=O)cc2)c1=O	ZINC001317911899	945215041	/nfs/dbraw/zinc/21/50/41/945215041.db2.gz	NYUGWFOSXOSZFK-UHFFFAOYSA-N	-1	0	324.387	0.521	20	30		DCEDRM
C=CCCCC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001270675241	940963943	/nfs/dbraw/zinc/96/39/43/940963943.db2.gz	YYPFXDXTHBKHKW-NSHDSACASA-N	-1	0	309.370	0.184	20	30		DCEDRM
CN1C[C@@]2(CCN(C(=O)c3ccc(C#N)cc3[O-])C2)OCC1=O	ZINC001271838097	941462604	/nfs/dbraw/zinc/46/26/04/941462604.db2.gz	IQIFRZLLXRAPCF-MRXNPFEDSA-N	-1	0	315.329	0.337	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCCC3(C1)OCCO3)cc2=O	ZINC001412956832	942154841	/nfs/dbraw/zinc/15/48/41/942154841.db2.gz	DZTDFEJCXTZEEN-UHFFFAOYSA-N	-1	0	315.333	0.645	20	30		DCEDRM
CC1=C(C(=O)Nc2nc(C#N)c(C#N)[n-]2)[C@H](C)n2ncnc2N1C	ZINC001413196903	942554865	/nfs/dbraw/zinc/55/48/65/942554865.db2.gz	TZELHZGAGPPPRP-QMMMGPOBSA-N	-1	0	323.320	0.668	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2C[C@H]2c2ccccc2)c(=O)[n-]c1=O	ZINC001413308215	942619423	/nfs/dbraw/zinc/61/94/23/942619423.db2.gz	ILOQVVZGPBVGKX-UONOGXRCSA-N	-1	0	324.340	0.740	20	30		DCEDRM
CC(C)c1ncc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)[nH]1	ZINC001413310142	942619645	/nfs/dbraw/zinc/61/96/45/942619645.db2.gz	NITOYDOJEGPKNQ-UHFFFAOYSA-N	-1	0	316.321	0.097	20	30		DCEDRM
C[C@@H]1CC[C@@H](CCC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)O1	ZINC001413310392	942621167	/nfs/dbraw/zinc/62/11/67/942621167.db2.gz	PIBJVKQCPIUYEK-PWSUYJOCSA-N	-1	0	320.349	0.284	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001484015537	943083754	/nfs/dbraw/zinc/08/37/54/943083754.db2.gz	IMAWEVJTGAIHQS-NEPJUHHUSA-N	-1	0	321.381	0.278	20	30		DCEDRM
N#CCNC[C@H]1CCCCN1C(=O)c1c[n-]n2c1nccc2=O	ZINC001491265264	943879852	/nfs/dbraw/zinc/87/98/52/943879852.db2.gz	UQNNLGTWZNUKTD-LLVKDONJSA-N	-1	0	314.349	0.130	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC001320064296	945732519	/nfs/dbraw/zinc/73/25/19/945732519.db2.gz	QRCBXDOFCGAYJX-JTQLQIEISA-N	-1	0	316.317	0.853	20	30		DCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2ccc(OCC#N)cc2)c1[O-]	ZINC001320979357	946097383	/nfs/dbraw/zinc/09/73/83/946097383.db2.gz	GWXIUEAFKBBDRN-NSHDSACASA-N	-1	0	303.274	0.577	20	30		DCEDRM
C=C[C@@H]1C[C@@]1([N-]S(=O)(=O)CC(F)(F)F)C(=O)OCC	ZINC001253228784	946098502	/nfs/dbraw/zinc/09/85/02/946098502.db2.gz	LMEOBDKKVZFPER-APPZFPTMSA-N	-1	0	301.286	0.976	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1ccc(C)c(S(N)(=O)=O)c1)C(=O)[O-]	ZINC001321166582	946196467	/nfs/dbraw/zinc/19/64/67/946196467.db2.gz	GGMBIDWRNSTHQB-SNVBAGLBSA-N	-1	0	312.347	0.402	20	30		DCEDRM
C=CC[C@H](NC(=O)C1CCN(c2cnccn2)CC1)C(=O)[O-]	ZINC001321339974	946285251	/nfs/dbraw/zinc/28/52/51/946285251.db2.gz	TYZVPAOCZYMPIU-LBPRGKRZSA-N	-1	0	304.350	0.839	20	30		DCEDRM
C=C[C@@H]1C[C@]1([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001254645617	946418084	/nfs/dbraw/zinc/41/80/84/946418084.db2.gz	FDRAIDIBOIHTTJ-OZTPJHRESA-N	-1	0	323.418	0.821	20	30		DCEDRM
N#CCCCS(=O)(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-]	ZINC001255242796	946481327	/nfs/dbraw/zinc/48/13/27/946481327.db2.gz	JREDJWQNSRBLLS-VIFPVBQESA-N	-1	0	320.758	0.213	20	30		DCEDRM
C=CC[C@@H](NC(=O)CCc1c(C)nc2ncnn2c1C)C(=O)[O-]	ZINC001256559938	946643279	/nfs/dbraw/zinc/64/32/79/946643279.db2.gz	IPPKZROXJQGFDO-GFCCVEGCSA-N	-1	0	317.349	0.819	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2ncsc2c1	ZINC001602678744	971256096	/nfs/dbraw/zinc/25/60/96/971256096.db2.gz	DTXJYRCLCHMYPG-UHFFFAOYSA-N	-1	0	317.326	0.781	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccn2cc(C)nc2c1	ZINC001602679363	971259071	/nfs/dbraw/zinc/25/90/71/971259071.db2.gz	OMSNLZWXOJFMQQ-UHFFFAOYSA-N	-1	0	314.301	0.128	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(C)(C)NC(=O)COC(C)(C)C	ZINC001602679545	971259981	/nfs/dbraw/zinc/25/99/81/971259981.db2.gz	SMOBFXRGXALXGN-UHFFFAOYSA-N	-1	0	312.366	0.243	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C(CC)CC)N1CCOCC1	ZINC001602679375	971260388	/nfs/dbraw/zinc/26/03/88/971260388.db2.gz	ORRYYIVNJWDWBI-OAHLLOKOSA-N	-1	0	310.394	0.670	20	30		DCEDRM
C=CC[C@@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)c1ccncc1	ZINC001322673281	946765797	/nfs/dbraw/zinc/76/57/97/946765797.db2.gz	WJNAWHIVYWTECZ-GXTWGEPZSA-N	-1	0	319.361	0.899	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cncc(C(N)=O)c2)cc1	ZINC001258039079	946792753	/nfs/dbraw/zinc/79/27/53/946792753.db2.gz	JOPDXPKSJPGQHL-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cn1cc(C)c(C(F)(F)F)n1	ZINC001602683984	971277961	/nfs/dbraw/zinc/27/79/61/971277961.db2.gz	NITSSPGIYJLGJB-UHFFFAOYSA-N	-1	0	303.240	0.757	20	30		DCEDRM
COC(=O)c1cnc([N-]S(=O)(=O)c2ccccc2C#N)cn1	ZINC001258196260	946810519	/nfs/dbraw/zinc/81/05/19/946810519.db2.gz	CNDXQMRGDXIKSY-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)NCCCC[P@](=O)([O-])O	ZINC001258312760	946822030	/nfs/dbraw/zinc/82/20/30/946822030.db2.gz	JRQFGZWIFQDEMP-UHFFFAOYSA-N	-1	0	318.291	0.794	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(C(=O)OC)cc1C#N	ZINC001259027081	946900463	/nfs/dbraw/zinc/90/04/63/946900463.db2.gz	KZAJZKZGQZCRMC-UHFFFAOYSA-N	-1	0	312.303	0.260	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(Br)n(C)n1	ZINC001602691742	971298599	/nfs/dbraw/zinc/29/85/99/971298599.db2.gz	WUAZJEQRQYQGPW-UHFFFAOYSA-N	-1	0	300.112	0.343	20	30		DCEDRM
N#CCNC[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)C1CC1	ZINC001323079900	946926261	/nfs/dbraw/zinc/92/62/61/946926261.db2.gz	DSUCJXIWAZDAPO-CYBMUJFWSA-N	-1	0	311.345	0.957	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1[nH]c(CC)c(C(=O)OC)c1C	ZINC001602691739	971298872	/nfs/dbraw/zinc/29/88/72/971298872.db2.gz	WOKVWLDLRCSVMJ-UHFFFAOYSA-N	-1	0	306.318	0.832	20	30		DCEDRM
COC(=O)c1cc([N-]S(=O)(=O)c2ccn(C)n2)ccc1C#N	ZINC001259944878	947031781	/nfs/dbraw/zinc/03/17/81/947031781.db2.gz	WEVPZKSXVPTNQH-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@]2(OC(C)C)CCOC2)n1C	ZINC001602700680	971320230	/nfs/dbraw/zinc/32/02/30/971320230.db2.gz	DSAKCOVWDIZEEQ-HNNXBMFYSA-N	-1	0	322.365	0.380	20	30		DCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ncc(C#N)nc1C	ZINC001260105592	947067431	/nfs/dbraw/zinc/06/74/31/947067431.db2.gz	IYRXTRHVCVAZFM-UHFFFAOYSA-N	-1	0	306.351	0.808	20	30		DCEDRM
C#Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)ccn1	ZINC001260183392	947078292	/nfs/dbraw/zinc/07/82/92/947078292.db2.gz	OOWKFKNJFJBELH-UHFFFAOYSA-N	-1	0	302.311	0.984	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CCC1=O	ZINC001260187516	947082444	/nfs/dbraw/zinc/08/24/44/947082444.db2.gz	UHZJESPQMFPYOU-JTQLQIEISA-N	-1	0	308.315	0.488	20	30		DCEDRM
N#Cc1nc(Cl)c([N-]S(=O)(=O)c2cn[nH]c2)nc1C#N	ZINC001260954933	947155940	/nfs/dbraw/zinc/15/59/40/947155940.db2.gz	FPKYRPMYBWZVCR-UHFFFAOYSA-N	-1	0	309.698	0.397	20	30		DCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)c2cn[nH]c2)c(C#N)c1	ZINC001260962124	947160152	/nfs/dbraw/zinc/16/01/52/947160152.db2.gz	LLLDLUYVHOJEKW-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CC=C[C@H](O)C2)n1CC	ZINC001602701058	971326166	/nfs/dbraw/zinc/32/61/66/971326166.db2.gz	UJRWUWWDMMAQLK-NEPJUHHUSA-N	-1	0	304.350	0.617	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)N(C)CCCC(=O)[O-])cc1	ZINC001602704772	971337598	/nfs/dbraw/zinc/33/75/98/971337598.db2.gz	SEVINPUVSRYLAA-UHFFFAOYSA-N	-1	0	318.329	0.960	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC001324119781	947321483	/nfs/dbraw/zinc/32/14/83/947321483.db2.gz	BCUUSNUSMPKKAQ-UHFFFAOYSA-N	-1	0	309.326	0.128	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001602717422	971367368	/nfs/dbraw/zinc/36/73/68/971367368.db2.gz	MGMANRLYQCAZQP-WQGACYEGSA-N	-1	0	321.377	0.764	20	30		DCEDRM
C=CC[C@@H](NC(=O)NCCc1cn2c(n1)SCC2)C(=O)[O-]	ZINC001262176160	947592409	/nfs/dbraw/zinc/59/24/09/947592409.db2.gz	CMRYGCANFSHJSP-SNVBAGLBSA-N	-1	0	310.379	0.860	20	30		DCEDRM
CN(Cc1nc2ccccc2n1C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001262683892	947750514	/nfs/dbraw/zinc/75/05/14/947750514.db2.gz	AFPNYLQRRVQYIN-UHFFFAOYSA-N	-1	0	324.344	0.468	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cn(C[C@H]2CCOC2)nn1	ZINC001263296644	947828321	/nfs/dbraw/zinc/82/83/21/947828321.db2.gz	LVFZUXXTKPEJBL-NEPJUHHUSA-N	-1	0	317.349	0.259	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C[C@H]1CCCO1	ZINC001263330488	947832187	/nfs/dbraw/zinc/83/21/87/947832187.db2.gz	LRXYDZYQTJCSLY-LLVKDONJSA-N	-1	0	318.381	0.693	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1	ZINC001325718220	947893312	/nfs/dbraw/zinc/89/33/12/947893312.db2.gz	RJMJTKKJYKZRGZ-OLZOCXBDSA-N	-1	0	324.377	0.503	20	30		DCEDRM
N#CCOc1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1	ZINC001326220420	948098666	/nfs/dbraw/zinc/09/86/66/948098666.db2.gz	AOOMAHAVXKZEQS-UHFFFAOYSA-N	-1	0	305.290	0.508	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001487776976	948267387	/nfs/dbraw/zinc/26/73/87/948267387.db2.gz	LLOZDYAMQXKYJB-MWLCHTKSSA-N	-1	0	322.365	0.039	20	30		DCEDRM
CCO[C@H]1COCC[C@@H]1Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001570917870	948564637	/nfs/dbraw/zinc/56/46/37/948564637.db2.gz	GTTQTEPYJLOVHN-WPRPVWTQSA-N	-1	0	316.325	0.134	20	30		DCEDRM
CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC23CC3)n1	ZINC001264028010	948840679	/nfs/dbraw/zinc/84/06/79/948840679.db2.gz	GLPVSTOKZLCUEQ-GFCCVEGCSA-N	-1	0	300.362	0.711	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001602786373	971533467	/nfs/dbraw/zinc/53/34/67/971533467.db2.gz	NOZWCQSQHGYVCC-KGYLQXTDSA-N	-1	0	315.329	0.689	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCC[C@@]13CCOC3=O)cc2=O	ZINC001364393352	949177563	/nfs/dbraw/zinc/17/75/63/949177563.db2.gz	LTLMAFIHNXBFIP-HNNXBMFYSA-N	-1	0	313.317	0.588	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCOC[C@H]2c2ccco2)c(C#N)c1=O	ZINC001364540526	949524874	/nfs/dbraw/zinc/52/48/74/949524874.db2.gz	BITAGXFDQJOQFO-JTQLQIEISA-N	-1	0	302.290	0.116	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCOC[C@@H]2c2ccco2)c(C#N)c1=O	ZINC001364540530	949526501	/nfs/dbraw/zinc/52/65/01/949526501.db2.gz	BITAGXFDQJOQFO-SNVBAGLBSA-N	-1	0	302.290	0.116	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1Cc2cccnc2NC1=O	ZINC001364658680	949709464	/nfs/dbraw/zinc/70/94/64/949709464.db2.gz	YICRFJZCMISMQN-LLVKDONJSA-N	-1	0	323.312	0.656	20	30		DCEDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)CCCC#N)co1	ZINC001329636392	949733851	/nfs/dbraw/zinc/73/38/51/949733851.db2.gz	NWEXLXVIWOXPSJ-UHFFFAOYSA-N	-1	0	320.348	0.046	20	30		DCEDRM
C[C@@H]1CC[C@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001364742712	949857214	/nfs/dbraw/zinc/85/72/14/949857214.db2.gz	GIYVPMNOWSKGFI-KOLCDFICSA-N	-1	0	305.338	0.308	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001329973570	950025632	/nfs/dbraw/zinc/02/56/32/950025632.db2.gz	VOYNMGIMOGDMKN-GHMZBOCLSA-N	-1	0	323.397	0.428	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CNC(=O)C2)c(F)c1	ZINC001364870874	950108236	/nfs/dbraw/zinc/10/82/36/950108236.db2.gz	JIXBGXJGAKNGQS-QMMMGPOBSA-N	-1	0	315.301	0.251	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001266208691	950475151	/nfs/dbraw/zinc/47/51/51/950475151.db2.gz	FBUQTXZWXAMZEU-NEPJUHHUSA-N	-1	0	323.397	0.572	20	30		DCEDRM
Cn1c(=O)[n-]c(SCc2ccc3c(c2)OCO3)c(C#N)c1=O	ZINC001365220799	950760833	/nfs/dbraw/zinc/76/08/33/950760833.db2.gz	IFEHBEIZTSMMGS-UHFFFAOYSA-N	-1	0	317.326	0.966	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001280345167	950820212	/nfs/dbraw/zinc/82/02/12/950820212.db2.gz	KMGZNRNGPRYNLO-SFYZADRCSA-N	-1	0	323.353	0.118	20	30		DCEDRM
CCOC(=O)CN(Cc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1	ZINC001365269009	950856437	/nfs/dbraw/zinc/85/64/37/950856437.db2.gz	NUBPVJBXTXJUPS-UHFFFAOYSA-N	-1	0	315.333	0.834	20	30		DCEDRM
CC1(C)CC[C@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001365570759	951277225	/nfs/dbraw/zinc/27/72/25/951277225.db2.gz	HYQJALBMSORLKN-NSHDSACASA-N	-1	0	319.365	0.698	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1	ZINC001281657178	951583177	/nfs/dbraw/zinc/58/31/77/951583177.db2.gz	BYIVKDMFTWLSPH-VXGBXAGGSA-N	-1	0	305.382	0.783	20	30		DCEDRM
NC(=O)[C@H]1CCSC12CN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001274662446	951775104	/nfs/dbraw/zinc/77/51/04/951775104.db2.gz	YQJNUPDYFURNEC-GFCCVEGCSA-N	-1	0	319.406	0.856	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2cncc(F)c2)c(=O)[n-]c1=O	ZINC001412083710	952638314	/nfs/dbraw/zinc/63/83/14/952638314.db2.gz	JGKCFWXBWOHOPV-UHFFFAOYSA-N	-1	0	303.253	0.383	20	30		DCEDRM
C=CCN(CCc1ccco1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336571072	952727307	/nfs/dbraw/zinc/72/73/07/952727307.db2.gz	WQNACXNEZTVZHG-UHFFFAOYSA-N	-1	0	300.318	0.773	20	30		DCEDRM
COc1ccsc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412370805	952768073	/nfs/dbraw/zinc/76/80/73/952768073.db2.gz	GFFPPYIVLKWKHO-UHFFFAOYSA-N	-1	0	320.330	0.321	20	30		DCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001337191089	952824864	/nfs/dbraw/zinc/82/48/64/952824864.db2.gz	NVMKWRGJNRGBJC-XHDPSFHLSA-N	-1	0	312.366	0.407	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC(NC(N)=O)CC1	ZINC001412586901	952918743	/nfs/dbraw/zinc/91/87/43/952918743.db2.gz	JPQJZSHFWIFWCL-UHFFFAOYSA-N	-1	0	303.322	0.240	20	30		DCEDRM
N#CC1(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)CCOCC1	ZINC001412787077	953092685	/nfs/dbraw/zinc/09/26/85/953092685.db2.gz	LJNMDAVIRXMAJA-UHFFFAOYSA-N	-1	0	302.290	0.979	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CC1=CCCOC1	ZINC001340560012	953178334	/nfs/dbraw/zinc/17/83/34/953178334.db2.gz	BTDDKALANCDLNY-UHFFFAOYSA-N	-1	0	316.365	0.471	20	30		DCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccoc1CC(N)=O	ZINC001341820610	953252653	/nfs/dbraw/zinc/25/26/53/953252653.db2.gz	GJHVVHHSELHECV-NSHDSACASA-N	-1	0	303.318	0.689	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(-n2ccnc2)nc1	ZINC001342595210	953297859	/nfs/dbraw/zinc/29/78/59/953297859.db2.gz	INXTZGDBVNSEQF-LBPRGKRZSA-N	-1	0	313.317	0.352	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC2CCN(CC#N)CC2)C1	ZINC001589273751	953439182	/nfs/dbraw/zinc/43/91/82/953439182.db2.gz	GGJWBALXIHLBOV-VXGBXAGGSA-N	-1	0	308.382	0.727	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001347934457	954181181	/nfs/dbraw/zinc/18/11/81/954181181.db2.gz	ACQOEWJCTOURDR-VIFPVBQESA-N	-1	0	312.303	0.438	20	30		DCEDRM
C[C@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC[C@H]1C(=O)[O-]	ZINC001589398512	954384769	/nfs/dbraw/zinc/38/47/69/954384769.db2.gz	DBMBDUYCXINYFG-JOYOIKCWSA-N	-1	0	315.333	0.849	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)NCCNC(=O)c1[nH]nc(C)c1[O-])OCC	ZINC001348789054	954467468	/nfs/dbraw/zinc/46/74/68/954467468.db2.gz	RMBQDQIECHMXRP-LLVKDONJSA-N	-1	0	324.381	0.641	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	ZINC001349110047	954605642	/nfs/dbraw/zinc/60/56/42/954605642.db2.gz	PZWWKDGNHRPLFW-VXGBXAGGSA-N	-1	0	318.395	0.305	20	30		DCEDRM
C#CCC1(O)CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC001350889876	955212986	/nfs/dbraw/zinc/21/29/86/955212986.db2.gz	MGPDIPBVNOOSDY-UHFFFAOYSA-N	-1	0	301.302	0.919	20	30		DCEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1(S(C)(=O)=O)CC1	ZINC001589088484	955920037	/nfs/dbraw/zinc/92/00/37/955920037.db2.gz	XDQQODGUKSAZPF-LDYMZIIASA-N	-1	0	302.352	0.073	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC001593918004	956045998	/nfs/dbraw/zinc/04/59/98/956045998.db2.gz	KEJTWJQLIMQNTA-NHYWBVRUSA-N	-1	0	319.317	0.423	20	30		DCEDRM
Cn1nccc1[C@@H]1C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC001594593185	956067287	/nfs/dbraw/zinc/06/72/87/956067287.db2.gz	QITKGHDEPYZETO-WBIUFABUSA-N	-1	0	320.349	0.761	20	30		DCEDRM
N#CCC1CCN(C(=O)NCCOCCOCC(=O)[O-])CC1	ZINC001594606618	956184983	/nfs/dbraw/zinc/18/49/83/956184983.db2.gz	XJQREPZEQMSPPT-UHFFFAOYSA-N	-1	0	313.354	0.439	20	30		DCEDRM
N#CCOc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)c1	ZINC001594610848	956206112	/nfs/dbraw/zinc/20/61/12/956206112.db2.gz	AQIPAZXHROXCIW-AWEZNQCLSA-N	-1	0	305.290	0.954	20	30		DCEDRM
N#CCc1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC001594611454	956214808	/nfs/dbraw/zinc/21/48/08/956214808.db2.gz	TZDZONFJBXQWBS-LBPRGKRZSA-N	-1	0	317.301	0.003	20	30		DCEDRM
N#CCOc1cccc(CNC(=O)c2cn(CC(=O)[O-])nn2)c1	ZINC001594611677	956219335	/nfs/dbraw/zinc/21/93/35/956219335.db2.gz	XBWNOZBWWUOZBO-UHFFFAOYSA-N	-1	0	315.289	0.195	20	30		DCEDRM
C=CCC[C@H]1CCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001353902976	956226560	/nfs/dbraw/zinc/22/65/60/956226560.db2.gz	AHLLMLJWDXGSKV-LBPRGKRZSA-N	-1	0	302.334	0.778	20	30		DCEDRM
N#Cc1c(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])[nH]nc1N1CCOCC1	ZINC001594614573	956233266	/nfs/dbraw/zinc/23/32/66/956233266.db2.gz	ZWOKMSLJZRJPHT-RKDXNWHRSA-N	-1	0	319.321	0.167	20	30		DCEDRM
N#Cc1cc2c(nc1OCC(=O)NCC(=O)[O-])CCCCC2	ZINC001594617852	956256545	/nfs/dbraw/zinc/25/65/45/956256545.db2.gz	ZYZUKLDHGSYJTH-UHFFFAOYSA-N	-1	0	303.318	0.802	20	30		DCEDRM
C[C@@H]1SCC[C@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413887032	956260070	/nfs/dbraw/zinc/26/00/70/956260070.db2.gz	VUHGEYXYHUFIKR-WCBMZHEXSA-N	-1	0	323.378	0.014	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)[O-])nc1	ZINC001594625199	956307896	/nfs/dbraw/zinc/30/78/96/956307896.db2.gz	JMNUHUFABLEECX-LLVKDONJSA-N	-1	0	309.347	0.971	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)c1cnc(C(=O)[O-])cn1)CC(=O)N2	ZINC001594626730	956319638	/nfs/dbraw/zinc/31/96/38/956319638.db2.gz	GEWHAPKASHZEAM-UHFFFAOYSA-N	-1	0	323.268	0.645	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)CS[C@@H](C)C(=O)[O-])CC1	ZINC001589170107	956469987	/nfs/dbraw/zinc/46/99/87/956469987.db2.gz	ZLXMUNXMTZZWJX-RYUDHWBXSA-N	-1	0	313.423	0.885	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(CC#N)CC2)C1	ZINC001589187289	956566180	/nfs/dbraw/zinc/56/61/80/956566180.db2.gz	PBRZDHNWEKZJRB-OAHLLOKOSA-N	-1	0	307.350	0.462	20	30		DCEDRM
COCCOc1ccc(C#N)cc1NC(=O)[C@@H](OC)C(=O)[O-]	ZINC001594019634	957071866	/nfs/dbraw/zinc/07/18/66/957071866.db2.gz	AZWMMHOVWOAUFP-GFCCVEGCSA-N	-1	0	308.290	0.622	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCCNC(=O)c1n[n-]c2ccccc2c1=O	ZINC001293070954	957259308	/nfs/dbraw/zinc/25/93/08/957259308.db2.gz	OCBONTNOMWZYBB-VIFPVBQESA-N	-1	0	313.317	0.341	20	30		DCEDRM
C=CCn1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)nn1	ZINC001326276281	957319669	/nfs/dbraw/zinc/31/96/69/957319669.db2.gz	SVJWBEVCPWPJHF-UHFFFAOYSA-N	-1	0	308.338	0.560	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H](O)c2ccccc2Cl)c(C#N)c1=O	ZINC001413879719	957501118	/nfs/dbraw/zinc/50/11/18/957501118.db2.gz	MEOKKFYSWHPMBB-LLVKDONJSA-N	-1	0	320.736	0.744	20	30		DCEDRM
COCCn1c([C@H]2C[C@H]2C#N)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001594024873	957701322	/nfs/dbraw/zinc/70/13/22/957701322.db2.gz	YXKBDJMPLFGRDY-WOPDTQHZSA-N	-1	0	319.365	0.853	20	30		DCEDRM
C#CCC1(NC(=O)NCC2(C(=O)[O-])CCOCC2)CCOCC1	ZINC001588392124	958030522	/nfs/dbraw/zinc/03/05/22/958030522.db2.gz	SWTYQKCTNBRHGS-UHFFFAOYSA-N	-1	0	324.377	0.740	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(F)c(F)c(F)c1	ZINC001588394294	958033643	/nfs/dbraw/zinc/03/36/43/958033643.db2.gz	ASZLIZZXVYXGRI-UHFFFAOYSA-N	-1	0	314.219	0.589	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(OCC)cc1C	ZINC001588395670	958042772	/nfs/dbraw/zinc/04/27/72/958042772.db2.gz	PMYNGOKKYAYROP-UHFFFAOYSA-N	-1	0	318.329	0.879	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H](NC(N)=O)c1cccc(C)c1	ZINC001588401676	958084063	/nfs/dbraw/zinc/08/40/63/958084063.db2.gz	AJVPKLJHUJOZOC-ZDUSSCGKSA-N	-1	0	317.345	0.641	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC1(S(C)(=O)=O)CCCC1	ZINC001588408481	958112068	/nfs/dbraw/zinc/11/20/68/958112068.db2.gz	PBWRJCRIFHXCCE-UHFFFAOYSA-N	-1	0	316.379	0.073	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1nnc(-c2ccccc2)[nH]1	ZINC001588409566	958129442	/nfs/dbraw/zinc/12/94/42/958129442.db2.gz	ZOJMDBGQVVNOOV-UHFFFAOYSA-N	-1	0	313.317	0.701	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@]2(CCSC2)C1	ZINC001588409833	958132824	/nfs/dbraw/zinc/13/28/24/958132824.db2.gz	LGHRBRJXFGXSRE-SMDDNHRTSA-N	-1	0	312.391	0.771	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](CC(=O)OCC)C(F)(F)F	ZINC001588410054	958135630	/nfs/dbraw/zinc/13/56/30/958135630.db2.gz	ONUJINBGCUKIBS-MRVPVSSYSA-N	-1	0	324.255	0.600	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(CN2CCOCC2)cn1	ZINC001588416242	958162502	/nfs/dbraw/zinc/16/25/02/958162502.db2.gz	KJEGUIWCLZYSTN-UHFFFAOYSA-N	-1	0	317.345	0.074	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1csc(S(C)(=O)=O)c1	ZINC001588418526	958181096	/nfs/dbraw/zinc/18/10/96/958181096.db2.gz	KOIHWHXYJSRFLQ-UHFFFAOYSA-N	-1	0	301.345	0.312	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nn(CC)cc1Br	ZINC001588418965	958189530	/nfs/dbraw/zinc/18/95/30/958189530.db2.gz	YAQQEIJBYCPWGD-UHFFFAOYSA-N	-1	0	314.139	0.826	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1	ZINC001588420339	958202570	/nfs/dbraw/zinc/20/25/70/958202570.db2.gz	WQJYSRJQHFFCRA-NSHDSACASA-N	-1	0	317.345	0.393	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cocn2)n1CCOC	ZINC001588426266	958227567	/nfs/dbraw/zinc/22/75/67/958227567.db2.gz	DISVVKWLGCPYTM-UHFFFAOYSA-N	-1	0	305.294	0.104	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CC=NO2)n1CC(=C)C	ZINC001588426796	958234428	/nfs/dbraw/zinc/23/44/28/958234428.db2.gz	CFRCUFYQAIKWBU-NSHDSACASA-N	-1	0	303.322	0.826	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](C)c2cnn(C)c2)n1CC	ZINC001588427134	958239882	/nfs/dbraw/zinc/23/98/82/958239882.db2.gz	NGELDWACCQDYRZ-NSHDSACASA-N	-1	0	316.365	0.708	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CC(=O)N(CC)C2)n1CC	ZINC001588427226	958241059	/nfs/dbraw/zinc/24/10/59/958241059.db2.gz	QVONAXLWPKODTJ-NSHDSACASA-N	-1	0	319.365	0.158	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCC[C@@H](CO)C2)n1C	ZINC001588427305	958243071	/nfs/dbraw/zinc/24/30/71/958243071.db2.gz	SPFUKLDAGUMUIR-NEPJUHHUSA-N	-1	0	306.366	0.605	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CCC)n1C[C@H]1CCOC1	ZINC001588427333	958244723	/nfs/dbraw/zinc/24/47/23/958244723.db2.gz	UMILQOCLHJRABQ-GFCCVEGCSA-N	-1	0	306.366	0.791	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N(CC(=O)[O-])c1ccc2c(c1)OCO2	ZINC001588431424	958269939	/nfs/dbraw/zinc/26/99/39/958269939.db2.gz	OZHGPETZMCOVKU-SNVBAGLBSA-N	-1	0	305.286	0.871	20	30		DCEDRM
C#CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)[O-]	ZINC001588432172	958276153	/nfs/dbraw/zinc/27/61/53/958276153.db2.gz	BWHQNZBQUIDSDN-UHFFFAOYSA-N	-1	0	303.318	0.134	20	30		DCEDRM
C#CCSCC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001588433330	958295736	/nfs/dbraw/zinc/29/57/36/958295736.db2.gz	PAJYTWQYTMQDTJ-LLVKDONJSA-N	-1	0	324.402	0.277	20	30		DCEDRM
COc1ccc(CNC(=O)[C@@H](C#N)C(=O)[C@H](C)C(=O)[O-])cc1	ZINC001594094396	958388583	/nfs/dbraw/zinc/38/85/83/958388583.db2.gz	LJVSCFPJSGCKLD-CABZTGNLSA-N	-1	0	304.302	0.741	20	30		DCEDRM
C=CC[C@@H](C=C)OC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588452570	958425521	/nfs/dbraw/zinc/42/55/21/958425521.db2.gz	GNSXNLPCIMXNHT-SNVBAGLBSA-N	-1	0	302.348	0.940	20	30		DCEDRM
C[C@@H](Cc1ccsc1)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361895057	958460931	/nfs/dbraw/zinc/46/09/31/958460931.db2.gz	URDMWDVFBIXTQX-VIFPVBQESA-N	-1	0	318.358	0.629	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1c(F)cc(O)cc1F	ZINC001573318156	958461328	/nfs/dbraw/zinc/46/13/28/958461328.db2.gz	SELZBDVTLALWSX-UHFFFAOYSA-N	-1	0	312.272	0.942	20	30		DCEDRM
C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001588473434	958551793	/nfs/dbraw/zinc/55/17/93/958551793.db2.gz	ZKPUGHGQSLKIKV-MNOVXSKESA-N	-1	0	319.365	0.716	20	30		DCEDRM
C[C@H](c1ccccn1)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361981755	958568480	/nfs/dbraw/zinc/56/84/80/958568480.db2.gz	PVCXKTOLDCUCGM-SNVBAGLBSA-N	-1	0	313.317	0.435	20	30		DCEDRM
CC[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H](C)O1	ZINC001362101625	958742511	/nfs/dbraw/zinc/74/25/11/958742511.db2.gz	JEPDMRAGFFEIIA-CMPLNLGQSA-N	-1	0	320.349	0.237	20	30		DCEDRM
CCC(=O)N1CC[C@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362142049	958812300	/nfs/dbraw/zinc/81/23/00/958812300.db2.gz	WWCPYKWPIXLZJL-NSHDSACASA-N	-1	0	302.334	0.708	20	30		DCEDRM
CCC[C@@H](NC(=O)CNc1ccc(C#N)cn1)c1nnn[n-]1	ZINC001362208684	958931638	/nfs/dbraw/zinc/93/16/38/958931638.db2.gz	ANBVTOWPEJMHNM-SNVBAGLBSA-N	-1	0	300.326	0.536	20	30		DCEDRM
C[C@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)n1cnc(C#N)n1	ZINC001588551101	959018879	/nfs/dbraw/zinc/01/88/79/959018879.db2.gz	RPXIJIDMNDQDMK-DVVUODLYSA-N	-1	0	303.322	0.280	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H](CO)[C@H]2CCOC2)cc1C#N	ZINC001362278798	959060215	/nfs/dbraw/zinc/06/02/15/959060215.db2.gz	JDSVKHNEXQUWRB-KWQFWETISA-N	-1	0	323.374	0.508	20	30		DCEDRM
Cc1ccn(CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(=O)c1C#N	ZINC001594421390	959075920	/nfs/dbraw/zinc/07/59/20/959075920.db2.gz	GPBVYLVEDCIEPU-IAQYHMDHSA-N	-1	0	303.318	0.019	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c(=O)[n-]c1=O	ZINC001362335695	959167564	/nfs/dbraw/zinc/16/75/64/959167564.db2.gz	NZIWUJQRPFNQQP-CHWSQXEVSA-N	-1	0	316.361	0.906	20	30		DCEDRM
CC(C)[C@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001362372327	959234360	/nfs/dbraw/zinc/23/43/60/959234360.db2.gz	ZEDOYZRNQBJLAD-NWDGAFQWSA-N	-1	0	320.349	0.140	20	30		DCEDRM
Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)C(=O)[O-])CC2)o1	ZINC001594445057	959321236	/nfs/dbraw/zinc/32/12/36/959321236.db2.gz	JPZVDDWUMGFQQZ-UHFFFAOYSA-N	-1	0	321.289	0.268	20	30		DCEDRM
C[C@@H](CN(C)C(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001573587388	959373200	/nfs/dbraw/zinc/37/32/00/959373200.db2.gz	VODAQFGPYTVJLM-LZTQFINJSA-N	-1	0	309.322	0.082	20	30		DCEDRM
CC[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCCO1	ZINC001362463063	959406287	/nfs/dbraw/zinc/40/62/87/959406287.db2.gz	JOQQBJLORQZRKP-NEPJUHHUSA-N	-1	0	320.349	0.284	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])ccc1C#N	ZINC001594456419	959419172	/nfs/dbraw/zinc/41/91/72/959419172.db2.gz	CQLPDLUAJLSSOZ-JTQLQIEISA-N	-1	0	302.290	0.276	20	30		DCEDRM
Cc1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)ncc1C#N	ZINC001362520764	959515061	/nfs/dbraw/zinc/51/50/61/959515061.db2.gz	QLPSAJUBXXDXCE-LLVKDONJSA-N	-1	0	315.362	0.705	20	30		DCEDRM
Cc1nn(C)c(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)c1C#N	ZINC001594483111	959639551	/nfs/dbraw/zinc/63/95/51/959639551.db2.gz	DDKIPANKZGMYQH-NXEZZACHSA-N	-1	0	306.322	0.809	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c(=O)[n-]c1=O	ZINC001362685357	959825064	/nfs/dbraw/zinc/82/50/64/959825064.db2.gz	BFIZWFSVSBBHLW-ZSBIGDGJSA-N	-1	0	316.361	0.763	20	30		DCEDRM
COC1([C@H](C)NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001362781027	959978072	/nfs/dbraw/zinc/97/80/72/959978072.db2.gz	VACXUIBSCOFTSF-JTQLQIEISA-N	-1	0	320.349	0.284	20	30		DCEDRM
C=CCOCCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001301350662	959998882	/nfs/dbraw/zinc/99/88/82/959998882.db2.gz	TWJCTSOCKOHOKX-UHFFFAOYSA-N	-1	0	304.306	0.199	20	30		DCEDRM
CC[C@@H]1CCC[C@@H]1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362867080	960108833	/nfs/dbraw/zinc/10/88/33/960108833.db2.gz	GBDAAPMHGSTJCN-GHMZBOCLSA-N	-1	0	304.350	0.763	20	30		DCEDRM
C=CCCCCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001312542478	960278182	/nfs/dbraw/zinc/27/81/82/960278182.db2.gz	WWRGJILPBQWWMV-UHFFFAOYSA-N	-1	0	305.338	0.476	20	30		DCEDRM
C=CCN(CCOC)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000234717121	960363157	/nfs/dbraw/zinc/36/31/57/960363157.db2.gz	OFFSUPRTPSFSAZ-UHFFFAOYSA-N	-1	0	306.365	0.664	20	30		DCEDRM
Cc1cnc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c(C)c1	ZINC001363125870	960435319	/nfs/dbraw/zinc/43/53/19/960435319.db2.gz	DPDOZSIZWJEAJV-UHFFFAOYSA-N	-1	0	313.317	0.262	20	30		DCEDRM
CC[C@H]1CCC[C@@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363128023	960439545	/nfs/dbraw/zinc/43/95/45/960439545.db2.gz	KILPQJWUHIWOSH-JQWIXIFHSA-N	-1	0	304.350	0.763	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CC2CCCCC2)c(=O)[n-]c1=O	ZINC001363127917	960440592	/nfs/dbraw/zinc/44/05/92/960440592.db2.gz	JTTONPPVONYBKO-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
COc1ccc(CNC(=O)CCCc2nnn[n-]2)cc1C#N	ZINC001363237587	960672651	/nfs/dbraw/zinc/67/26/51/960672651.db2.gz	HRXKQBMHSHYILN-UHFFFAOYSA-N	-1	0	300.322	0.719	20	30		DCEDRM
CC1CCN(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001464116151	1013199410	/nfs/dbraw/zinc/19/94/10/1013199410.db2.gz	ZHVSQQXWTXIUFV-UHFFFAOYSA-N	-1	0	305.338	0.262	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CN1CC[C@@H](c2nn[nH]n2)C1	ZINC001363293413	960811279	/nfs/dbraw/zinc/81/12/79/960811279.db2.gz	WCHXNIWGMWKRET-SECBINFHSA-N	-1	0	303.351	0.561	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)Nc1cc(C#N)nc(C2CC2)n1)C(=O)[O-]	ZINC001571079507	960982326	/nfs/dbraw/zinc/98/23/26/960982326.db2.gz	GWCYUHZWAPLXDP-YUMQZZPRSA-N	-1	0	303.322	0.615	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)C[C@@H](C(=O)[O-])O1	ZINC001571080617	961000970	/nfs/dbraw/zinc/00/09/70/961000970.db2.gz	YSKTWQXYCCMDEF-ZJUUUORDSA-N	-1	0	302.352	0.184	20	30		DCEDRM
COC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1nnn[n-]1	ZINC001363437341	961149983	/nfs/dbraw/zinc/14/99/83/961149983.db2.gz	QOKSIUPZCXHAHL-YNEHKIRRSA-N	-1	0	312.333	0.679	20	30		DCEDRM
N#CCc1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1	ZINC001571103180	961254692	/nfs/dbraw/zinc/25/46/92/961254692.db2.gz	SVOBCMBJCQCLLJ-ZDUSSCGKSA-N	-1	0	308.359	0.436	20	30		DCEDRM
N#Cc1ccc(CNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)nc1	ZINC001574485179	961676024	/nfs/dbraw/zinc/67/60/24/961676024.db2.gz	COINDJHPAGZVMO-DGCLKSJQSA-N	-1	0	303.318	0.839	20	30		DCEDRM
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001574489599	961707196	/nfs/dbraw/zinc/70/71/96/961707196.db2.gz	LKGITPPKOIFOGB-GFCCVEGCSA-N	-1	0	311.301	0.652	20	30		DCEDRM
COC(=O)Cc1occc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571144946	961719607	/nfs/dbraw/zinc/71/96/07/961719607.db2.gz	COROFJKRUYPFRJ-UHFFFAOYSA-N	-1	0	320.301	0.826	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)c2coc(/C=C\C(=O)[O-])c2)n1	ZINC001574493694	961720433	/nfs/dbraw/zinc/72/04/33/961720433.db2.gz	PHLYXVFHVDVPFE-UPHRSURJSA-N	-1	0	301.262	0.271	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001571164982	961988113	/nfs/dbraw/zinc/98/81/13/961988113.db2.gz	ISITYEBHYQOOEV-PWSUYJOCSA-N	-1	0	324.358	0.729	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(c1cc(C#N)ncn1)C[C@@H]2C(=O)[O-]	ZINC001574047062	962124128	/nfs/dbraw/zinc/12/41/28/962124128.db2.gz	KHVVVQCFZDWTOJ-QMJNDHNRSA-N	-1	0	316.317	0.438	20	30		DCEDRM
C[C@@H](O)c1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001364144087	962551211	/nfs/dbraw/zinc/55/12/11/962551211.db2.gz	HYJAXTLLCDHYDV-SECBINFHSA-N	-1	0	300.318	0.611	20	30		DCEDRM
Cc1nnc(Sc2[n-]c(=O)n(C)c(=O)c2C#N)n1C(C)C	ZINC001364171782	962605938	/nfs/dbraw/zinc/60/59/38/962605938.db2.gz	QNUGOLZDVUEYNA-UHFFFAOYSA-N	-1	0	306.351	0.577	20	30		DCEDRM
C#CCCCCC(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573302618	962657242	/nfs/dbraw/zinc/65/72/42/962657242.db2.gz	CWUOVEDVKNRHRS-QWHCGFSZSA-N	-1	0	306.362	0.475	20	30		DCEDRM
C#CC[C@H](NC(=O)/C=C/c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC001573303455	962677200	/nfs/dbraw/zinc/67/72/00/962677200.db2.gz	XPZHSLMNNLNRPL-ZRQQLDRUSA-N	-1	0	314.297	0.623	20	30		DCEDRM
C#CCOCCC(=O)N[C@H](C)CN(C)c1ncc(C(=O)[O-])cn1	ZINC001573310729	962688461	/nfs/dbraw/zinc/68/84/61/962688461.db2.gz	BXZDNEVQWVDJAJ-LLVKDONJSA-N	-1	0	320.349	0.156	20	30		DCEDRM
C#CC[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)[O-]	ZINC001354050544	962702764	/nfs/dbraw/zinc/70/27/64/962702764.db2.gz	JHSUZCSOBGCQQI-VIFPVBQESA-N	-1	0	316.235	0.460	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCCC[C@H]2c2ncccn2)c(C#N)c1=O	ZINC001364232321	962719112	/nfs/dbraw/zinc/71/91/12/962719112.db2.gz	VHCFNXFOBFNKFZ-NSHDSACASA-N	-1	0	312.333	0.467	20	30		DCEDRM
C=C(Br)CN1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573314065	962741369	/nfs/dbraw/zinc/74/13/69/962741369.db2.gz	VWRSEMFJLUEBIN-VHSXEESVSA-N	-1	0	317.183	0.664	20	30		DCEDRM
C=C(Br)CN1CC[C@H]1CNC(=O)CNC(=O)[O-]	ZINC001573314087	962741087	/nfs/dbraw/zinc/74/10/87/962741087.db2.gz	WWDINOLJHSVVTB-QMMMGPOBSA-N	-1	0	306.160	0.353	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)CNC(=O)[O-])[C@@H]1C	ZINC001573321123	962754707	/nfs/dbraw/zinc/75/47/07/962754707.db2.gz	INMNXGXHPBPVGN-MNOVXSKESA-N	-1	0	311.382	0.962	20	30		DCEDRM
C=C(C)CN1CC(n2cc(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])nn2)C1	ZINC001573324637	962789441	/nfs/dbraw/zinc/78/94/41/962789441.db2.gz	WFPVVVSBWVTURJ-STQMWFEESA-N	-1	0	319.365	0.048	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](C(=O)Nc2cn[nH]c2)C1	ZINC001573332842	962844937	/nfs/dbraw/zinc/84/49/37/962844937.db2.gz	SWIUERMRMJZHMH-SNVBAGLBSA-N	-1	0	306.322	0.618	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N1CC(CNC(=O)CNC(=O)[O-])C1	ZINC001573339066	962884622	/nfs/dbraw/zinc/88/46/22/962884622.db2.gz	NUGLXHCRNOXNBF-UHFFFAOYSA-N	-1	0	317.773	0.607	20	30		DCEDRM
C=C(Cl)CN1CCN(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573343446	962904440	/nfs/dbraw/zinc/90/44/40/962904440.db2.gz	DQLRKQUBKSZHHS-NWDGAFQWSA-N	-1	0	315.801	0.193	20	30		DCEDRM
C=C[C@H](CC)CC(=O)N1CC2(C1)CCN(C(=O)CNC(=O)[O-])C2	ZINC001573348633	962960148	/nfs/dbraw/zinc/96/01/48/962960148.db2.gz	YNABOKOPEBUPPM-GFCCVEGCSA-N	-1	0	323.393	0.917	20	30		DCEDRM
C=CCCN1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)C1	ZINC001573360017	963031191	/nfs/dbraw/zinc/03/11/91/963031191.db2.gz	CSEKTLYBEPTLMY-HUUCEWRRSA-N	-1	0	322.405	0.975	20	30		DCEDRM
C#CCCCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588439851	964032144	/nfs/dbraw/zinc/03/21/44/964032144.db2.gz	HRZKBVQNOQDWBY-AAVRWANBSA-N	-1	0	320.389	0.912	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1Cn1nnnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588442294	964056065	/nfs/dbraw/zinc/05/60/65/964056065.db2.gz	QQTSLGRZGONKSO-TUAOUCFPSA-N	-1	0	307.354	0.565	20	30		DCEDRM
C#CCCCNC(=O)C(=O)NCc1ccccc1CC(=O)[O-]	ZINC001588446582	964076604	/nfs/dbraw/zinc/07/66/04/964076604.db2.gz	QQTXKJVWNNRXJP-UHFFFAOYSA-N	-1	0	302.330	0.460	20	30		DCEDRM
C[C@H](NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CCC1	ZINC001369215122	964536263	/nfs/dbraw/zinc/53/62/63/964536263.db2.gz	ZGMQKPRZLJNOEE-VIFPVBQESA-N	-1	0	305.338	0.308	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001381757377	966665238	/nfs/dbraw/zinc/66/52/38/966665238.db2.gz	PMZJWOQLTDYOMI-WDEREUQCSA-N	-1	0	306.370	0.531	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000092130963	967592843	/nfs/dbraw/zinc/59/28/43/967592843.db2.gz	BQMLIINZDZQUGL-ZDUSSCGKSA-N	-1	0	310.331	0.275	20	30		DCEDRM
C=C(Cl)CN1CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC001373440442	969099871	/nfs/dbraw/zinc/09/98/71/969099871.db2.gz	SUOFYYRYXMQCND-UHFFFAOYSA-N	-1	0	315.761	0.022	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)Cc2ccc(C#N)cc2)CCO1	ZINC001593976837	970167937	/nfs/dbraw/zinc/16/79/37/970167937.db2.gz	XYEYVDVKRGHWSK-INIZCTEOSA-N	-1	0	318.329	0.429	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(NC(=O)CC)cc1)C(=O)[O-]	ZINC000274952588	970312981	/nfs/dbraw/zinc/31/29/81/970312981.db2.gz	GNXOXQWQUPJBDO-GFCCVEGCSA-N	-1	0	324.358	0.790	20	30		DCEDRM
Cc1cc(C#N)ccc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001600075135	970754842	/nfs/dbraw/zinc/75/48/42/970754842.db2.gz	JLXXUPLNNGJGIP-CYBMUJFWSA-N	-1	0	308.359	0.550	20	30		DCEDRM
CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1	ZINC001603296994	972566894	/nfs/dbraw/zinc/56/68/94/972566894.db2.gz	DZSJYSGRHFJRND-LLVKDONJSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C=C(C)C[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)OC	ZINC001475577932	1017122973	/nfs/dbraw/zinc/12/29/73/1017122973.db2.gz	CSUCVJQZGBDBQD-SNVBAGLBSA-N	-1	0	324.424	0.590	20	30		DCEDRM
C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1noc(C)n1)C(=O)OC	ZINC001475579405	1017123815	/nfs/dbraw/zinc/12/38/15/1017123815.db2.gz	SPLVDMKDPINJRG-SECBINFHSA-N	-1	0	303.340	0.305	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC001604455605	973297440	/nfs/dbraw/zinc/29/74/40/973297440.db2.gz	XXOAMCKUCQRLNS-HNNXBMFYSA-N	-1	0	318.333	0.092	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N(CCC(=O)[O-])C2CCOCC2)n1	ZINC001605476830	973591265	/nfs/dbraw/zinc/59/12/65/973591265.db2.gz	HFCUAMHWCXUGSK-UHFFFAOYSA-N	-1	0	321.337	0.779	20	30		DCEDRM
N#CC1(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCCC1	ZINC001605577071	973853974	/nfs/dbraw/zinc/85/39/74/973853974.db2.gz	WMVVLBJQHAMYDL-LLVKDONJSA-N	-1	0	307.350	0.510	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)CC1	ZINC001605581812	973862909	/nfs/dbraw/zinc/86/29/09/973862909.db2.gz	MXDDDKJCNKIGRJ-OWOJBTEDSA-N	-1	0	317.301	0.575	20	30		DCEDRM
N#CC1(N(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C2CC2)CCC1	ZINC001605583587	973874852	/nfs/dbraw/zinc/87/48/52/973874852.db2.gz	WSHMCIWDBQRCKJ-GFCCVEGCSA-N	-1	0	319.361	0.747	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001605591211	973887995	/nfs/dbraw/zinc/88/79/95/973887995.db2.gz	VLSMZJUQBLPKGZ-UHFFFAOYSA-N	-1	0	305.265	0.066	20	30		DCEDRM
N#Cc1cccc(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c1	ZINC001605617856	973938957	/nfs/dbraw/zinc/93/89/57/973938957.db2.gz	YSRWTNHBZLILKP-CYBMUJFWSA-N	-1	0	315.329	0.498	20	30		DCEDRM
CN(C(=O)c1cccn(CC(=O)[O-])c1=O)c1cc(C#N)ccn1	ZINC001604034999	974558641	/nfs/dbraw/zinc/55/86/41/974558641.db2.gz	CALAYHYLZIZMHN-UHFFFAOYSA-N	-1	0	312.285	0.476	20	30		DCEDRM
C[C@H](CC#N)C(=O)N1[C@H](C(=O)NCCC(=O)[O-])CS[C@H]1C	ZINC001592213175	977272273	/nfs/dbraw/zinc/27/22/73/977272273.db2.gz	WOAACGCJIBPDEE-UTLUCORTSA-N	-1	0	313.379	0.417	20	30		DCEDRM
CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)[C@@H](C)C#N	ZINC001449717805	1014646613	/nfs/dbraw/zinc/64/66/13/1014646613.db2.gz	XRIPFNDEFGWLIW-VIFPVBQESA-N	-1	0	307.354	0.552	20	30		DCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC001588368616	983307181	/nfs/dbraw/zinc/30/71/81/983307181.db2.gz	OVIKDVLPDMVPPJ-TVYUQYBPSA-N	-1	0	300.314	0.951	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC001588369652	983316210	/nfs/dbraw/zinc/31/62/10/983316210.db2.gz	RWQCKDGFMVMTJZ-GWCFXTLKSA-N	-1	0	316.313	0.393	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001588369897	983318033	/nfs/dbraw/zinc/31/80/33/983318033.db2.gz	ZUMWUOKWIUHFLE-QMMMGPOBSA-N	-1	0	318.285	0.580	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588384037	983386458	/nfs/dbraw/zinc/38/64/58/983386458.db2.gz	SSYMXYDYJUQJAI-GFCCVEGCSA-N	-1	0	302.286	0.184	20	30		DCEDRM
C#CCC(CC#C)C(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001588389779	983388064	/nfs/dbraw/zinc/38/80/64/983388064.db2.gz	ASOKHACEAYJZJO-QWHCGFSZSA-N	-1	0	305.330	0.514	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1	ZINC001588389818	983388982	/nfs/dbraw/zinc/38/89/82/983388982.db2.gz	BKPGOVLCAXGVRT-XHBSWPGZSA-N	-1	0	324.377	0.100	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588390172	983392001	/nfs/dbraw/zinc/39/20/01/983392001.db2.gz	NCBOMJWOJIDMES-JTQLQIEISA-N	-1	0	319.317	0.263	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588394565	983402803	/nfs/dbraw/zinc/40/28/03/983402803.db2.gz	NTFVIVQFEVGOAU-GFCCVEGCSA-N	-1	0	318.329	0.407	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001588394695	983403269	/nfs/dbraw/zinc/40/32/69/983403269.db2.gz	NKAVKKDEYHGXGU-QWRGUYRKSA-N	-1	0	300.380	0.484	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588396442	983408433	/nfs/dbraw/zinc/40/84/33/983408433.db2.gz	YUVCXLZUICRACO-BWAOXVRWSA-N	-1	0	324.377	0.736	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCc1c(C)nc(SC)[nH]c1=O)C(=O)[O-]	ZINC001588404680	983418287	/nfs/dbraw/zinc/41/82/87/983418287.db2.gz	FWDOAPIZERMSNU-SNVBAGLBSA-N	-1	0	323.374	0.738	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1Cc2cc(F)ccc2NC1=O)C(=O)[O-]	ZINC001588405643	983422113	/nfs/dbraw/zinc/42/21/13/983422113.db2.gz	HWGAMMUSVTZJNP-ZYHUDNBSSA-N	-1	0	304.277	0.529	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1Cc2cc(F)ccc2NC1=O)C(=O)[O-]	ZINC001588405628	983422130	/nfs/dbraw/zinc/42/21/30/983422130.db2.gz	HWGAMMUSVTZJNP-CMPLNLGQSA-N	-1	0	304.277	0.529	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)C(=O)[O-]	ZINC001588407052	983427128	/nfs/dbraw/zinc/42/71/28/983427128.db2.gz	VEZRSKFBTHAKDH-NEPJUHHUSA-N	-1	0	321.354	0.540	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(F)cc21)C(=O)[O-]	ZINC001588407299	983427899	/nfs/dbraw/zinc/42/78/99/983427899.db2.gz	YJRHFJNKRYQPHU-CMPLNLGQSA-N	-1	0	304.277	0.844	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H](NC(=O)N1CCCC1)[C@@H](C)CC)C(=O)[O-]	ZINC001588407522	983428657	/nfs/dbraw/zinc/42/86/57/983428657.db2.gz	JJEUAGJUFPSGGA-XQQFMLRXSA-N	-1	0	323.393	0.799	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1[nH]nc(C)c1Br)C(=O)[O-]	ZINC001588413633	983431879	/nfs/dbraw/zinc/43/18/79/983431879.db2.gz	DQGRTCSQFALAAP-ZCFIWIBFSA-N	-1	0	300.112	0.687	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cccc(C(=O)NC2CC2)c1)C(=O)[O-]	ZINC001588416493	983436841	/nfs/dbraw/zinc/43/68/41/983436841.db2.gz	NSMHQFYWAGLYIQ-ZDUSSCGKSA-N	-1	0	300.314	0.785	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)C1CCC(C(=O)[O-])CC1)C(=O)OC	ZINC001588424603	983456071	/nfs/dbraw/zinc/45/60/71/983456071.db2.gz	XUTCDMMHTOZMNX-VQXHTEKXSA-N	-1	0	317.363	0.114	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C(=O)OC	ZINC001588428626	983462917	/nfs/dbraw/zinc/46/29/17/983462917.db2.gz	VMPIPPNGYAYTJZ-ZETCQYMHSA-N	-1	0	317.344	0.290	20	30		DCEDRM
C#CCC1(O)CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1	ZINC001588431582	983465642	/nfs/dbraw/zinc/46/56/42/983465642.db2.gz	LQDPNLUTETWZIL-QWHCGFSZSA-N	-1	0	309.362	0.776	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)C1	ZINC001588432016	983466740	/nfs/dbraw/zinc/46/67/40/983466740.db2.gz	UXDJDJUGXJJZAM-SUMWQHHRSA-N	-1	0	320.389	0.962	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588435043	983474286	/nfs/dbraw/zinc/47/42/86/983474286.db2.gz	AJTHNDDLZCRBJP-HAQNSBGRSA-N	-1	0	316.361	0.707	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001588435224	983475113	/nfs/dbraw/zinc/47/51/13/983475113.db2.gz	HLBNQUKATSLMBR-GFCCVEGCSA-N	-1	0	316.361	0.921	20	30		DCEDRM
C#CCN1CCCC[C@@H]1c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C	ZINC001588477410	983515869	/nfs/dbraw/zinc/51/58/69/983515869.db2.gz	PSGUSDULPOIXSQ-CHWSQXEVSA-N	-1	0	317.393	0.886	20	30		DCEDRM
C#CCN1CCC[C@H]1c1nnc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1C	ZINC001588477657	983517387	/nfs/dbraw/zinc/51/73/87/983517387.db2.gz	YAESZNKTFUOFIE-UPJWGTAASA-N	-1	0	317.393	0.742	20	30		DCEDRM
C#CCN1CCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1	ZINC001588479268	983518821	/nfs/dbraw/zinc/51/88/21/983518821.db2.gz	GZMKRFFIBVYQKL-UHFFFAOYSA-N	-1	0	304.306	0.752	20	30		DCEDRM
C#CCO[C@H](C)C(=O)OCC(=O)N(C)c1ccccc1C(=O)[O-]	ZINC001588489901	983529432	/nfs/dbraw/zinc/52/94/32/983529432.db2.gz	DJJMEGRDTSUDPN-LLVKDONJSA-N	-1	0	319.313	0.929	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)OCC(=O)Nc1ccsc1C(=O)[O-]	ZINC001588490574	983533107	/nfs/dbraw/zinc/53/31/07/983533107.db2.gz	PVWKEKRXZZYQQN-QMMMGPOBSA-N	-1	0	311.315	0.966	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588491340	983536066	/nfs/dbraw/zinc/53/60/66/983536066.db2.gz	KOHKUAKDTLPQPT-UHFFFAOYSA-N	-1	0	301.320	0.557	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588536517	983594283	/nfs/dbraw/zinc/59/42/83/983594283.db2.gz	YBVHTNPOFMKVAV-VOAKCMCISA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)[O-]	ZINC001588542507	983608746	/nfs/dbraw/zinc/60/87/46/983608746.db2.gz	JGSYJVWLQFUTHH-LBPRGKRZSA-N	-1	0	306.318	0.658	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1c(Br)nnn1C)C(=O)[O-]	ZINC001588543715	983612499	/nfs/dbraw/zinc/61/24/99/983612499.db2.gz	MOPQSSRGZXNDSO-ZCFIWIBFSA-N	-1	0	317.143	0.727	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2	ZINC001596231216	983625618	/nfs/dbraw/zinc/62/56/18/983625618.db2.gz	IKDBMNHEYQTRLA-XSRFYTQQSA-N	-1	0	315.395	0.794	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC001596231341	983626590	/nfs/dbraw/zinc/62/65/90/983626590.db2.gz	MJNOONDLHYCGGE-GUBZILKMSA-N	-1	0	307.347	0.210	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC001588553757	983628419	/nfs/dbraw/zinc/62/84/19/983628419.db2.gz	RGDWQYAUKLJADG-QWRGUYRKSA-N	-1	0	316.379	0.089	20	30		DCEDRM
C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C[C@@H]2C1	ZINC001588554563	983631032	/nfs/dbraw/zinc/63/10/32/983631032.db2.gz	JIBOZSYSWNBSEL-XJFOESAGSA-N	-1	0	320.389	0.980	20	30		DCEDRM
C=C(C)Cn1c(C[C@H](C)O)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001588597626	983680203	/nfs/dbraw/zinc/68/02/03/983680203.db2.gz	IVODDSRGYDUQAR-NWDGAFQWSA-N	-1	0	324.381	0.457	20	30		DCEDRM
C=C(CC)CNC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C	ZINC001588606197	983696358	/nfs/dbraw/zinc/69/63/58/983696358.db2.gz	YUZYMHWLUUFMFY-GFCCVEGCSA-N	-1	0	311.382	0.076	20	30		DCEDRM
C=C(CC)Cn1nnnc1N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588606691	983698235	/nfs/dbraw/zinc/69/82/35/983698235.db2.gz	FICJREIABIFQLR-ZDUSSCGKSA-N	-1	0	306.326	0.449	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC2(CCC2)S(=O)(=O)CC1	ZINC001588614231	983706844	/nfs/dbraw/zinc/70/68/44/983706844.db2.gz	OQTGELZVOBWGPB-UHFFFAOYSA-N	-1	0	315.391	0.977	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCN(CC(=O)N(C)C)CC1	ZINC001588615487	983712342	/nfs/dbraw/zinc/71/23/42/983712342.db2.gz	WIPBECCGVJYWGJ-UHFFFAOYSA-N	-1	0	311.382	0.030	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CCCN(Cc2ncon2)C1	ZINC001588624613	983733742	/nfs/dbraw/zinc/73/37/42/983733742.db2.gz	PXYFWHCVOLMXHH-GFCCVEGCSA-N	-1	0	322.365	0.819	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc([C@H]2NC(=O)NC2=O)cc1	ZINC001588629935	983740288	/nfs/dbraw/zinc/74/02/88/983740288.db2.gz	XXQZIJNSURKPLT-GFCCVEGCSA-N	-1	0	317.301	0.927	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CC(S(=O)(=O)N2CCc3ccccc32)C1	ZINC001588664218	983798982	/nfs/dbraw/zinc/79/89/82/983798982.db2.gz	OHUJOTVBXMEAOJ-ZDUSSCGKSA-N	-1	0	322.386	0.702	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN(CC(=O)N2CCCC[C@H]2C)CC1	ZINC001588669407	983811926	/nfs/dbraw/zinc/81/19/26/983811926.db2.gz	KOJDNAAPOCFNIJ-ZIAGYGMSSA-N	-1	0	309.410	0.644	20	30		DCEDRM
C=C[C@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)C(=O)[O-]	ZINC001588702005	983917625	/nfs/dbraw/zinc/91/76/25/983917625.db2.gz	FUGADPPLGPTMST-NSHDSACASA-N	-1	0	302.338	0.910	20	30		DCEDRM
C=C[C@@H](OC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-]	ZINC001588705955	983929256	/nfs/dbraw/zinc/92/92/56/983929256.db2.gz	SQWOXLPSYBDRGY-WCBMZHEXSA-N	-1	0	306.336	0.151	20	30		DCEDRM
C=C[C@@H](OC(=O)CSCC(=O)N1CCCCC1)C(=O)[O-]	ZINC001588710525	983932750	/nfs/dbraw/zinc/93/27/50/983932750.db2.gz	DHUQORIWYUULFU-SNVBAGLBSA-N	-1	0	301.364	0.915	20	30		DCEDRM
C=C[C@@H](OC(=O)CCn1c2ccccc2n(C)c1=O)C(=O)[O-]	ZINC001588711066	983935643	/nfs/dbraw/zinc/93/56/43/983935643.db2.gz	LKWHSIMKARGUAK-GFCCVEGCSA-N	-1	0	304.302	0.913	20	30		DCEDRM
C=C[C@H](OC(=O)CCn1c2ccccc2n(C)c1=O)C(=O)[O-]	ZINC001588711067	983935674	/nfs/dbraw/zinc/93/56/74/983935674.db2.gz	LKWHSIMKARGUAK-LBPRGKRZSA-N	-1	0	304.302	0.913	20	30		DCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588719866	983963490	/nfs/dbraw/zinc/96/34/90/983963490.db2.gz	ZVPKNESOPUCJHM-CHWSQXEVSA-N	-1	0	324.377	0.238	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001588743938	984039957	/nfs/dbraw/zinc/03/99/57/984039957.db2.gz	FSGIOSABKPTDQI-NSHDSACASA-N	-1	0	305.396	0.878	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001588745071	984048471	/nfs/dbraw/zinc/04/84/71/984048471.db2.gz	USMPKJUOLXYWAG-SNVBAGLBSA-N	-1	0	308.334	0.820	20	30		DCEDRM
C=CC[C@H](OC(=O)CNC(=O)c1ccccc1OC)C(=O)[O-]	ZINC001588753146	984083059	/nfs/dbraw/zinc/08/30/59/984083059.db2.gz	AWAKJOGUFGDKHG-LBPRGKRZSA-N	-1	0	307.302	0.998	20	30		DCEDRM
C=CC[C@@H](OC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-]	ZINC001588753980	984090738	/nfs/dbraw/zinc/09/07/38/984090738.db2.gz	QQBQQEGSYRFEIF-JGVFFNPUSA-N	-1	0	309.240	0.970	20	30		DCEDRM
C=CCCC(=O)NC[C@@]1(O)CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001588773581	984147603	/nfs/dbraw/zinc/14/76/03/984147603.db2.gz	ADLWIKSHTVIXGB-HNNXBMFYSA-N	-1	0	320.349	0.198	20	30		DCEDRM
C=CCCC[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)[O-]	ZINC001588788438	984189510	/nfs/dbraw/zinc/18/95/10/984189510.db2.gz	CEOAINFPVDWQQR-VIFPVBQESA-N	-1	0	311.338	0.243	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)c1c(C)onc1N)C(=O)[O-]	ZINC001588798482	984236794	/nfs/dbraw/zinc/23/67/94/984236794.db2.gz	GVJUJAADPLHTSU-QMMMGPOBSA-N	-1	0	303.340	0.653	20	30		DCEDRM
C=CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC001588807246	984258681	/nfs/dbraw/zinc/25/86/81/984258681.db2.gz	DMAOICDGZHBJMB-UHFFFAOYSA-N	-1	0	320.301	0.802	20	30		DCEDRM
C=CCCn1cc(CN2C[C@H](C(=O)OC)CC[C@@H]2C(=O)[O-])nn1	ZINC001588819713	984278520	/nfs/dbraw/zinc/27/85/20/984278520.db2.gz	ANTMHKIOEZCPHG-DGCLKSJQSA-N	-1	0	322.365	0.692	20	30		DCEDRM
C=CCN(C(=O)C(=O)NC1CC(CC(=O)[O-])C1)[C@@H](C)COC	ZINC001588819939	984280180	/nfs/dbraw/zinc/28/01/80/984280180.db2.gz	JLMXUFSFLMUHHC-UNXYVOJBSA-N	-1	0	312.366	0.405	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001588844396	984357476	/nfs/dbraw/zinc/35/74/76/984357476.db2.gz	XFFKWFCSOPHHHL-UHFFFAOYSA-N	-1	0	320.301	0.482	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1	ZINC001588849633	984373528	/nfs/dbraw/zinc/37/35/28/984373528.db2.gz	CGAKUNWIIOEETI-NSHDSACASA-N	-1	0	303.380	0.848	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)/C=C/CN(C)CC(F)(F)F)C(=O)[O-]	ZINC001588854197	984388943	/nfs/dbraw/zinc/38/89/43/984388943.db2.gz	QQQQGMMJWXXWLH-ORAHPGNNSA-N	-1	0	324.299	0.809	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCC(=O)c1ccccn1)C(=O)[O-]	ZINC001588854216	984389429	/nfs/dbraw/zinc/38/94/29/984389429.db2.gz	RFWFIDLZPYMPSU-GFCCVEGCSA-N	-1	0	306.318	0.817	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)[O-]	ZINC001588856621	984401371	/nfs/dbraw/zinc/40/13/71/984401371.db2.gz	NVBNMKBXEGBFTC-NWDGAFQWSA-N	-1	0	300.355	0.309	20	30		DCEDRM
C=CCOC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC001588856975	984402535	/nfs/dbraw/zinc/40/25/35/984402535.db2.gz	UHKFWKDUGGDQSW-LBPRGKRZSA-N	-1	0	324.289	0.746	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)[O-]	ZINC001588857377	984402967	/nfs/dbraw/zinc/40/29/67/984402967.db2.gz	XICWDUISDMBHIK-WCQGTBRESA-N	-1	0	300.355	0.309	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c[nH]cc1-c1cnn(C)c1)C(=O)[O-]	ZINC001588859246	984404385	/nfs/dbraw/zinc/40/43/85/984404385.db2.gz	FKJPAWQLCBSFJC-ZDUSSCGKSA-N	-1	0	318.333	0.801	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C(=O)[O-])s1)C(=O)OC	ZINC001588859644	984406877	/nfs/dbraw/zinc/40/68/77/984406877.db2.gz	RXNAIOWUGINUED-QMMMGPOBSA-N	-1	0	313.331	0.920	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001524656578	1015031793	/nfs/dbraw/zinc/03/17/93/1015031793.db2.gz	PTTMLLIAQFQCQH-ZUZCIYMTSA-N	-1	0	322.365	0.082	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC001588860513	984413720	/nfs/dbraw/zinc/41/37/20/984413720.db2.gz	WSMWGCDGBUDBGT-SECBINFHSA-N	-1	0	306.278	0.049	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cncc(Cl)c1)C(=O)[O-]	ZINC001588866260	984424069	/nfs/dbraw/zinc/42/40/69/984424069.db2.gz	CSFHESPDYGPCMH-JTQLQIEISA-N	-1	0	320.754	0.669	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1	ZINC001588866905	984428850	/nfs/dbraw/zinc/42/88/50/984428850.db2.gz	SWQBCKCEMGQXIS-UHFFFAOYSA-N	-1	0	312.366	0.409	20	30		DCEDRM
CCOC(=O)C1(O)CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001596559848	984434159	/nfs/dbraw/zinc/43/41/59/984434159.db2.gz	ONKCCGXKNATXCH-UHFFFAOYSA-N	-1	0	319.317	0.546	20	30		DCEDRM
C=CCOCc1nnc(N2CCC(C(=O)[O-])CC2)n1CCOC	ZINC001588868651	984434385	/nfs/dbraw/zinc/43/43/85/984434385.db2.gz	OMXKFUCLBBQBKK-UHFFFAOYSA-N	-1	0	324.381	0.928	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC001588878944	984456076	/nfs/dbraw/zinc/45/60/76/984456076.db2.gz	OSBIRLNBAFZFID-JTQLQIEISA-N	-1	0	300.380	0.488	20	30		DCEDRM
C=CCn1c(-c2c[nH]nc2OC)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588886540	984472514	/nfs/dbraw/zinc/47/25/14/984472514.db2.gz	LHMROYFXCJVDKU-SECBINFHSA-N	-1	0	318.337	0.774	20	30		DCEDRM
C=CCn1c(-c2noc(C)n2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588891312	984487371	/nfs/dbraw/zinc/48/73/71/984487371.db2.gz	ISIJUBJBPPIVDX-VIFPVBQESA-N	-1	0	304.310	0.733	20	30		DCEDRM
C=CCn1c([C@H](CC)CO)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588896503	984501980	/nfs/dbraw/zinc/50/19/80/984501980.db2.gz	RPFJCBNHEPQMBW-IAQYHMDHSA-N	-1	0	324.381	0.630	20	30		DCEDRM
C=CCn1c([C@H](O)C(C)C)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588896914	984505519	/nfs/dbraw/zinc/50/55/19/984505519.db2.gz	VPEWIZZROLLXSO-IAQYHMDHSA-N	-1	0	324.381	0.833	20	30		DCEDRM
C=CCn1c(N2CC[C@@](F)(C(=O)[O-])C2)nnc1C1(CO)CCC1	ZINC001588904372	984528989	/nfs/dbraw/zinc/52/89/89/984528989.db2.gz	PTSXECILRZXOLJ-HNNXBMFYSA-N	-1	0	324.356	0.881	20	30		DCEDRM
C=CCn1c(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)nnc1C1(O)CCC1	ZINC001588904943	984534087	/nfs/dbraw/zinc/53/40/87/984534087.db2.gz	JLLBGWSYQQKTHJ-MNOVXSKESA-N	-1	0	322.365	0.514	20	30		DCEDRM
C=CCn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1[C@](C)(O)CC	ZINC001588904956	984534323	/nfs/dbraw/zinc/53/43/23/984534323.db2.gz	JWDRHYXZZCIXFG-QMTHXVAHSA-N	-1	0	310.354	0.371	20	30		DCEDRM
C=CCn1cc(CNC(=O)CCc2ocnc2C(=O)[O-])nn1	ZINC001588909187	984542866	/nfs/dbraw/zinc/54/28/66/984542866.db2.gz	NKZUCUVZBBUVIR-UHFFFAOYSA-N	-1	0	305.294	0.399	20	30		DCEDRM
C=CCn1cc(CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)nn1	ZINC001588909178	984542879	/nfs/dbraw/zinc/54/28/79/984542879.db2.gz	NEQMBLDDKPQCQV-UHFFFAOYSA-N	-1	0	323.334	0.036	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCNc1ccnc(C(=O)[O-])n1	ZINC001588916756	984562828	/nfs/dbraw/zinc/56/28/28/984562828.db2.gz	CUCONBHPLODCPW-MNOVXSKESA-N	-1	0	320.349	0.058	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC001588916993	984564522	/nfs/dbraw/zinc/56/45/22/984564522.db2.gz	KHHVQFRQZQVFNO-QCNOEVLYSA-N	-1	0	311.334	0.442	20	30		DCEDRM
C=C[C@H](CO)NC(=O)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC001588919704	984573499	/nfs/dbraw/zinc/57/34/99/984573499.db2.gz	JITWGLJBVGMAIA-GXSJLCMTSA-N	-1	0	306.318	0.476	20	30		DCEDRM
CC#CCCCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588925274	984586284	/nfs/dbraw/zinc/58/62/84/984586284.db2.gz	OCKDMMRAZFTBLN-LBPRGKRZSA-N	-1	0	316.361	0.803	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC001588926032	984590891	/nfs/dbraw/zinc/59/08/91/984590891.db2.gz	GMYGWLLFPMCYOX-RKDXNWHRSA-N	-1	0	311.363	0.976	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001588926201	984592045	/nfs/dbraw/zinc/59/20/45/984592045.db2.gz	NEPPKMGYXZUIBS-JTQLQIEISA-N	-1	0	322.292	0.353	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1C#N)C(=O)[O-]	ZINC001599900318	984809126	/nfs/dbraw/zinc/80/91/26/984809126.db2.gz	KFRHMUPURLLOBN-YUMQZZPRSA-N	-1	0	306.278	0.856	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC[C@H]1C(=O)[O-]	ZINC001599910033	984973282	/nfs/dbraw/zinc/97/32/82/984973282.db2.gz	GYIJVAKLCZBDEO-SDDRHHMPSA-N	-1	0	307.350	0.318	20	30		DCEDRM
CC(=O)NCc1ccc(C(=O)N(CC#N)CCC(=O)[O-])cc1	ZINC001589143862	985457702	/nfs/dbraw/zinc/45/77/02/985457702.db2.gz	XSGFMCHTYCJQDL-UHFFFAOYSA-N	-1	0	303.318	0.763	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	ZINC001589329139	986161163	/nfs/dbraw/zinc/16/11/63/986161163.db2.gz	JUSSBMDXOJNCBV-XHBSWPGZSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H]1CCCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001589329503	986164642	/nfs/dbraw/zinc/16/46/42/986164642.db2.gz	OXDZFSVWUCADFC-CMPLNLGQSA-N	-1	0	317.349	0.810	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N([C@@H](C)C(=O)[O-])C1CCC1	ZINC001589330667	986176100	/nfs/dbraw/zinc/17/61/00/986176100.db2.gz	MSFOCKJKHMIRLB-ZJUUUORDSA-N	-1	0	303.384	0.650	20	30		DCEDRM
C[C@@H](C#N)N(CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O)C1CC1	ZINC001589331599	986188602	/nfs/dbraw/zinc/18/86/02/986188602.db2.gz	JMEMMWFZQOGGNL-LKFCYVNXSA-N	-1	0	308.338	0.496	20	30		DCEDRM
C[C@H](C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001589334128	986197980	/nfs/dbraw/zinc/19/79/80/986197980.db2.gz	AMNUXTBKKZZBEQ-ZWNOBZJWSA-N	-1	0	313.317	0.995	20	30		DCEDRM
C[C@H](C(=O)Nc1sccc1C(N)=O)N(CC#N)CCC(=O)[O-]	ZINC001589449107	986835311	/nfs/dbraw/zinc/83/53/11/986835311.db2.gz	ZNURMBWCZJXJCK-MRVPVSSYSA-N	-1	0	324.362	0.474	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001589558805	987310801	/nfs/dbraw/zinc/31/08/01/987310801.db2.gz	UPGOUCDLJCGOPI-VIFPVBQESA-N	-1	0	320.367	0.062	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC(N(C)C(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC001450706955	1015309791	/nfs/dbraw/zinc/30/97/91/1015309791.db2.gz	ZAOJBQUFGQGSHM-SECBINFHSA-N	-1	0	319.365	0.646	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@H]2CCCC2(F)F)c(=O)[n-]c1=O	ZINC001450816021	1015372450	/nfs/dbraw/zinc/37/24/50/1015372450.db2.gz	VECJDSGLSCLSQM-VIFPVBQESA-N	-1	0	312.276	0.515	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001589909924	988641147	/nfs/dbraw/zinc/64/11/47/988641147.db2.gz	PZEGSQZCYXDJQJ-UKKRHICBSA-N	-1	0	323.349	0.582	20	30		DCEDRM
C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)C[C@@H](C(=O)[O-])O1	ZINC001599867306	989289145	/nfs/dbraw/zinc/28/91/45/989289145.db2.gz	JXAJDBUZMBBZDI-MFKMUULPSA-N	-1	0	300.318	0.880	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2ncccc2C(=O)[O-])c1=O	ZINC001597871011	989679339	/nfs/dbraw/zinc/67/93/39/989679339.db2.gz	WOTFOCXOMLENAW-UHFFFAOYSA-N	-1	0	300.274	0.043	20	30		DCEDRM
CC(C)(CCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)[O-]	ZINC001590675857	990387203	/nfs/dbraw/zinc/38/72/03/990387203.db2.gz	KHNFZAUOPBQDLS-LBPRGKRZSA-N	-1	0	308.382	0.869	20	30		DCEDRM
CN(C)c1ncc(/C=C\C(=O)c2cn(CC(=O)[O-])nn2)n1C	ZINC001598354008	991463253	/nfs/dbraw/zinc/46/32/53/991463253.db2.gz	QJCHNOYWFZVXAC-PLNGDYQASA-N	-1	0	304.310	0.058	20	30		DCEDRM
CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001598364901	991510842	/nfs/dbraw/zinc/51/08/42/991510842.db2.gz	QNISISUFYXYTDR-NSHDSACASA-N	-1	0	300.292	0.281	20	30		DCEDRM
CN(CCN(C)c1ccnc(C(=O)[O-])n1)C(=O)C#CC1CC1	ZINC001598485183	992196039	/nfs/dbraw/zinc/19/60/39/992196039.db2.gz	PAVCPQNNEQZERV-UHFFFAOYSA-N	-1	0	302.334	0.483	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)c1nccc(C(=O)[O-])n1	ZINC001598485949	992207021	/nfs/dbraw/zinc/20/70/21/992207021.db2.gz	ZBAJMEJVGTVSQJ-UHFFFAOYSA-N	-1	0	301.310	0.421	20	30		DCEDRM
CC(C)NC(=O)CCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001591639329	992949993	/nfs/dbraw/zinc/94/99/93/992949993.db2.gz	FPLRJIZENRDGGJ-UHFFFAOYSA-N	-1	0	310.354	0.301	20	30		DCEDRM
C=CCCC(C)(C)CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001464211087	1015886895	/nfs/dbraw/zinc/88/68/95/1015886895.db2.gz	KRCKJIFUSYTHOF-UHFFFAOYSA-N	-1	0	315.395	0.757	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)/C=C/C(=O)c1ccc(C)cc1	ZINC001598695692	995134007	/nfs/dbraw/zinc/13/40/07/995134007.db2.gz	WTFIREDLURDLST-ABZNLYFFSA-N	-1	0	319.313	0.866	20	30		DCEDRM
C[C@H](O)CN(C)N=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC001593456518	995359382	/nfs/dbraw/zinc/35/93/82/995359382.db2.gz	IAWKGSJBRGEBIO-VIFPVBQESA-N	-1	0	311.294	0.705	20	30		DCEDRM
COC(=O)[C@@]1(OC)CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC001598726488	995524083	/nfs/dbraw/zinc/52/40/83/995524083.db2.gz	VTFNPDNBGGGRMB-XJKSGUPXSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C[C@@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)NCC(=O)[O-]	ZINC001593547187	995622451	/nfs/dbraw/zinc/62/24/51/995622451.db2.gz	KDHBJZICQXHEOP-JIMOISOXSA-N	-1	0	316.313	0.794	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001593610630	995803713	/nfs/dbraw/zinc/80/37/13/995803713.db2.gz	GAXIMVSEQWUBRE-BPNCWPANSA-N	-1	0	318.329	0.762	20	30		DCEDRM
C[C@H](Sc1ccccc1C(=O)NCC(=O)NCC#N)C(=O)[O-]	ZINC001593668870	996067619	/nfs/dbraw/zinc/06/76/19/996067619.db2.gz	LEMBNOIKRLCAPQ-VIFPVBQESA-N	-1	0	321.358	0.621	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC001598805428	996181025	/nfs/dbraw/zinc/18/10/25/996181025.db2.gz	CDSGMCIPTPJCBU-CHWSQXEVSA-N	-1	0	316.313	0.433	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)NCC2(C#N)CCCC2)C[C@H]1C(=O)[O-]	ZINC001598809719	996220263	/nfs/dbraw/zinc/22/02/63/996220263.db2.gz	QSWSWIQEAKEJKM-MNOVXSKESA-N	-1	0	323.349	0.586	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)Nc2sccc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598814279	996256289	/nfs/dbraw/zinc/25/62/89/996256289.db2.gz	KBTZDUVEFGLKLH-IUCAKERBSA-N	-1	0	323.330	0.957	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2cccc(F)c2C#N)C[C@H]1C(=O)[O-]	ZINC001598820806	996324255	/nfs/dbraw/zinc/32/42/55/996324255.db2.gz	IEXLCWLPFNUPDN-MNOVXSKESA-N	-1	0	320.276	0.643	20	30		DCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CCO1	ZINC001593742632	996361239	/nfs/dbraw/zinc/36/12/39/996361239.db2.gz	BYEWBPKKCVIMLE-CYBMUJFWSA-N	-1	0	310.331	0.688	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CCO1	ZINC001593743568	996368991	/nfs/dbraw/zinc/36/89/91/996368991.db2.gz	ULOFDAOGPCEMPI-NSHDSACASA-N	-1	0	316.360	0.749	20	30		DCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1	ZINC001593743620	996369531	/nfs/dbraw/zinc/36/95/31/996369531.db2.gz	WQLDUVAQJYLSOI-LLVKDONJSA-N	-1	0	302.352	0.186	20	30		DCEDRM
COC(=O)CC[C@@H]1CC[C@H](C(=O)N(CC#N)CCC(=O)[O-])O1	ZINC001598859058	996660441	/nfs/dbraw/zinc/66/04/41/996660441.db2.gz	YQZLNAMZVCRFAQ-WDEREUQCSA-N	-1	0	312.322	0.314	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(CC(=O)NC2(C#N)CCCCC2)C1	ZINC001599076155	996870353	/nfs/dbraw/zinc/87/03/53/996870353.db2.gz	INVOSQZBMHQEBC-HNNXBMFYSA-N	-1	0	309.366	0.505	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)Cc1ccc(C#N)cc1	ZINC001598893191	997029307	/nfs/dbraw/zinc/02/93/07/997029307.db2.gz	UXNYGLRZTRRQHO-GFCCVEGCSA-N	-1	0	304.302	0.623	20	30		DCEDRM
COCC1(NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC1	ZINC001599200063	997287880	/nfs/dbraw/zinc/28/78/80/997287880.db2.gz	CIMZEPRZMHKEEC-UHFFFAOYSA-N	-1	0	310.331	0.714	20	30		DCEDRM
CCc1cc(O)ccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001466855978	1016119292	/nfs/dbraw/zinc/11/92/92/1016119292.db2.gz	VUWINEQQUJSPJK-UHFFFAOYSA-N	-1	0	314.301	0.727	20	30		DCEDRM
COCC[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001599212735	997530660	/nfs/dbraw/zinc/53/06/60/997530660.db2.gz	HQKZJYTUKPDRAV-KGLIPLIRSA-N	-1	0	315.329	0.846	20	30		DCEDRM
COCC[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC001599213972	997551020	/nfs/dbraw/zinc/55/10/20/997551020.db2.gz	RYRCYHNYWDSXKB-NSHDSACASA-N	-1	0	305.286	0.373	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])n(CN2CCC[C@@H](CC#N)C2)n1	ZINC001598921490	997572582	/nfs/dbraw/zinc/57/25/82/997572582.db2.gz	DZIAWINZEVDPLF-JTQLQIEISA-N	-1	0	306.322	0.951	20	30		DCEDRM
CON=Cc1ccc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1	ZINC001599320848	997578146	/nfs/dbraw/zinc/57/81/46/997578146.db2.gz	OSLMVTOUBIAUKA-CYBMUJFWSA-N	-1	0	316.317	0.816	20	30		DCEDRM
CO[C@@H]1CCC[C@@H]([C@@H](NS(=O)(=O)CCCC#N)C(=O)[O-])C1	ZINC001599112647	997597384	/nfs/dbraw/zinc/59/73/84/997597384.db2.gz	NGRJSQIBZIRXMN-IJLUTSLNSA-N	-1	0	318.395	0.868	20	30		DCEDRM
COc1cc(NC(=O)C(=O)NCC(C)(C)C#N)ccc1C(=O)[O-]	ZINC001599431601	997768896	/nfs/dbraw/zinc/76/88/96/997768896.db2.gz	PRSDZJIEYSFKDX-UHFFFAOYSA-N	-1	0	319.317	0.998	20	30		DCEDRM
COc1cc(NC(=O)N[C@H]2CCCN(O)C2=O)ccc1C(=O)[O-]	ZINC001599438925	997899755	/nfs/dbraw/zinc/89/97/55/997899755.db2.gz	SUEOSHIEDSACHO-JTQLQIEISA-N	-1	0	323.305	0.895	20	30		DCEDRM
CO[C@@H]1CN(C(=O)[C@H](O)c2ccc(C#N)cc2)[C@@](C)(C(=O)[O-])C1	ZINC001599130499	997932037	/nfs/dbraw/zinc/93/20/37/997932037.db2.gz	LFXBNNWCNRNHBA-WOSRLPQWSA-N	-1	0	318.329	0.682	20	30		DCEDRM
COc1cc(C#N)ccc1CN1[C@@H](C(=O)[O-])CCS1(=O)=O	ZINC001599348764	998055787	/nfs/dbraw/zinc/05/57/87/998055787.db2.gz	AGGMBMCBVCGKKG-LLVKDONJSA-N	-1	0	310.331	0.556	20	30		DCEDRM
COc1cc(C(=O)NCCn2cc(C(=O)[O-])nn2)ccc1C#N	ZINC001599354151	998148492	/nfs/dbraw/zinc/14/84/92/998148492.db2.gz	YPVDIQJJAAKUQG-UHFFFAOYSA-N	-1	0	315.289	0.287	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@@H]1C	ZINC001511159261	1016194935	/nfs/dbraw/zinc/19/49/35/1016194935.db2.gz	JSVVUQJYVCKUTF-NEPJUHHUSA-N	-1	0	318.377	0.946	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCCNc1ncccc1C#N	ZINC001594149723	998518184	/nfs/dbraw/zinc/51/81/84/998518184.db2.gz	NBDDTNCVPUAJSQ-CMPLNLGQSA-N	-1	0	317.349	0.870	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ocnc2C2CC2)c(=O)[n-]c1=O	ZINC001470360339	1016425837	/nfs/dbraw/zinc/42/58/37/1016425837.db2.gz	GLOSNHZYAWTZDK-UHFFFAOYSA-N	-1	0	315.289	0.116	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2OC3CCC2CC3)c(=O)[n-]c1=O	ZINC001471262608	1016550056	/nfs/dbraw/zinc/55/00/56/1016550056.db2.gz	QVYKTDOVCFJELD-UHFFFAOYSA-N	-1	0	304.306	0.296	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H](O)Cc2ccccc2F)c(C#N)c1=O	ZINC001421248333	1003480702	/nfs/dbraw/zinc/48/07/02/1003480702.db2.gz	SLRUGHGWNBZSMB-SNVBAGLBSA-N	-1	0	318.308	0.100	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H]2Cc3ccc(C#N)cc3C2)c(C#N)c1=O	ZINC001421287355	1003503408	/nfs/dbraw/zinc/50/34/08/1003503408.db2.gz	JKEJLTDKMCYNPD-GFCCVEGCSA-N	-1	0	307.313	0.396	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H](NC(=O)c2ccccc2O)[C@@H](O)C1	ZINC001513452427	1016862182	/nfs/dbraw/zinc/86/21/82/1016862182.db2.gz	VGWKRZJXNLCKEH-OCCSQVGLSA-N	-1	0	304.346	0.660	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](N(C)C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001427437046	1004385370	/nfs/dbraw/zinc/38/53/70/1004385370.db2.gz	CDPVNWBLMREGEU-SCZZXKLOSA-N	-1	0	305.338	0.256	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2nc(-c3ccsc3)no2)c1=O	ZINC001473047603	1016904035	/nfs/dbraw/zinc/90/40/35/1016904035.db2.gz	CIWZQKOJUCQURY-UHFFFAOYSA-N	-1	0	301.287	0.568	20	30		DCEDRM
CC[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCCO1	ZINC001417724718	1005876529	/nfs/dbraw/zinc/87/65/29/1005876529.db2.gz	VTAIYBZUBAAYPG-LBPRGKRZSA-N	-1	0	320.349	0.238	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2C[C@H]2c2ccccc2)c(=O)[n-]c1=O	ZINC001417731949	1005877771	/nfs/dbraw/zinc/87/77/71/1005877771.db2.gz	FFSZUVABEGNYEM-UONOGXRCSA-N	-1	0	324.340	0.883	20	30		DCEDRM
CO[C@H]1COCC[C@H]1CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417877605	1005912867	/nfs/dbraw/zinc/91/28/67/1005912867.db2.gz	JAIRIPHIIIGGMT-JQWIXIFHSA-N	-1	0	305.334	0.749	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](CNC(=O)C#CC3CC3)C2)c1[O-]	ZINC001514834661	1017059108	/nfs/dbraw/zinc/05/91/08/1017059108.db2.gz	GGBYQTNKXWUMKV-TXEJJXNPSA-N	-1	0	316.361	0.462	20	30		DCEDRM
CCCC[C@@](C)(F)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001453839785	1008752952	/nfs/dbraw/zinc/75/29/52/1008752952.db2.gz	CPYJDGPGSRWIIM-CQSZACIVSA-N	-1	0	310.329	0.855	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc3[nH]cnc3c2)c(=O)[n-]c1=O	ZINC001442355147	1009214223	/nfs/dbraw/zinc/21/42/23/1009214223.db2.gz	NNBIKYVHYFVMQZ-UHFFFAOYSA-N	-1	0	310.273	0.336	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@]2(O)CCc3ccccc32)c(C#N)c1=O	ZINC001434443055	1009962274	/nfs/dbraw/zinc/96/22/74/1009962274.db2.gz	WESJJMIERGPCGO-INIZCTEOSA-N	-1	0	312.329	0.191	20	30		DCEDRM
CC[C@@H](C)C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC	ZINC001434449351	1009967673	/nfs/dbraw/zinc/96/76/73/1009967673.db2.gz	UKXNSOVOVBBLFG-PSASIEDQSA-N	-1	0	308.338	0.335	20	30		DCEDRM
CCc1cnc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001444505608	1011044122	/nfs/dbraw/zinc/04/41/22/1011044122.db2.gz	PYCQFJNSIOJKCF-UHFFFAOYSA-N	-1	0	319.346	0.868	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H](C)C#N)c1[O-]	ZINC001457190283	1011608222	/nfs/dbraw/zinc/60/82/22/1011608222.db2.gz	YCNVJMUHRWOJBZ-WCBMZHEXSA-N	-1	0	305.338	0.304	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CC(C)(C)CNC(=O)[C@@H](C)C#N)c1[O-]	ZINC001423987329	1011807200	/nfs/dbraw/zinc/80/72/00/1011807200.db2.gz	KDFSZNRBHPLKNE-VIFPVBQESA-N	-1	0	321.381	0.798	20	30		DCEDRM
COCCC1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001445651250	1012065792	/nfs/dbraw/zinc/06/57/92/1012065792.db2.gz	BWFRCSLBKUFVMW-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
C=CCOCC(=O)N1CCC(C)(NC(=O)c2cn[nH]n2)CC1	ZINC001536602329	1012165405	/nfs/dbraw/zinc/16/54/05/1012165405.db2.gz	OPARXGGWLNCDLT-UHFFFAOYSA-N	-1	0	307.354	0.118	20	30		DCEDRM
N#Cc1cn(C2CN(c3cc(C(F)F)ncn3)C2)c(=O)[n-]c1=O	ZINC001458489226	1012193998	/nfs/dbraw/zinc/19/39/98/1012193998.db2.gz	MIXYXFQXADLDPJ-UHFFFAOYSA-N	-1	0	320.259	0.609	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccc(S(N)(=O)=O)cc1	ZINC001557325331	1012274036	/nfs/dbraw/zinc/27/40/36/1012274036.db2.gz	BKQFKAWCOMMOFQ-VIFPVBQESA-N	-1	0	300.336	0.335	20	30		DCEDRM
C#CCN(CC#CC)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001561306410	1012462250	/nfs/dbraw/zinc/46/22/50/1012462250.db2.gz	OWCPLQYCVDSZJD-UHFFFAOYSA-N	-1	0	308.315	0.948	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Nc2ccccn2)c(=O)[n-]c1=O	ZINC001476297963	1017187473	/nfs/dbraw/zinc/18/74/73/1017187473.db2.gz	WVVNLSJAXDQMSH-UHFFFAOYSA-N	-1	0	300.278	0.037	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@](C)(OC)C1	ZINC001520447163	1017276487	/nfs/dbraw/zinc/27/64/87/1017276487.db2.gz	CYVPFVDQUMATQP-HNNXBMFYSA-N	-1	0	318.381	0.693	20	30		DCEDRM
C=CCOCC(=O)NC[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001500134422	1018244423	/nfs/dbraw/zinc/24/44/23/1018244423.db2.gz	UTDMLHCKENXSQY-VIFPVBQESA-N	-1	0	310.354	0.108	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001480251392	1018364471	/nfs/dbraw/zinc/36/44/71/1018364471.db2.gz	PXOBXJVRGFLSEN-ABAIWWIYSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001502108273	1019725870	/nfs/dbraw/zinc/72/58/70/1019725870.db2.gz	DLYPVFNUKWQUFG-SCZZXKLOSA-N	-1	0	310.354	0.249	20	30		DCEDRM
Cc1onc(CC(=O)NCc2ncc(C(=O)[O-])s2)c1C#N	ZINC001608058907	1170563248	/nfs/dbraw/zinc/56/32/48/1170563248.db2.gz	PXSZSSZTPSBJRT-UHFFFAOYSA-N	-1	0	306.303	0.868	20	30		DCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1	ZINC001609631034	1171056110	/nfs/dbraw/zinc/05/61/10/1171056110.db2.gz	NCWQYYXHIYZCSV-MRVPVSSYSA-N	-1	0	300.311	0.891	20	30		DCEDRM
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N(C)CC#N	ZINC001610222147	1171200550	/nfs/dbraw/zinc/20/05/50/1171200550.db2.gz	LRUYOSPLJXYBNY-UHFFFAOYSA-N	-1	0	318.332	0.377	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1ccc(OCC)nc1)C(=O)[O-]	ZINC000274941560	186445834	/nfs/dbraw/zinc/44/58/34/186445834.db2.gz	QZRXAPOUNBNVPM-SNVBAGLBSA-N	-1	0	300.336	0.788	20	30		DCEDRM
CC1CCC(N(C)C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)CC1	ZINC000567384816	291353115	/nfs/dbraw/zinc/35/31/15/291353115.db2.gz	SLBCZIWPBVEOBP-UHFFFAOYSA-N	-1	0	304.350	0.445	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)OCC)C1	ZINC000496330086	241242431	/nfs/dbraw/zinc/24/24/31/241242431.db2.gz	UEPZBAAAOYPMJL-LLVKDONJSA-N	-1	0	316.379	0.324	20	30		DCEDRM
CCN(C)S(=O)(=O)N(CC(=O)[O-])Cc1cccc(C#N)c1	ZINC000274979412	212055576	/nfs/dbraw/zinc/05/55/76/212055576.db2.gz	DEHXKTIWKXJNBL-UHFFFAOYSA-N	-1	0	311.363	0.641	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cncc(N3CCOCC3)c2)[n-]c1C#N	ZINC000339931126	253165285	/nfs/dbraw/zinc/16/52/85/253165285.db2.gz	KZPCAPJNRVZACE-UHFFFAOYSA-N	-1	0	323.316	0.637	20	30		DCEDRM
C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)cc1)n1cnc(C#N)n1	ZINC000341191845	253355237	/nfs/dbraw/zinc/35/52/37/253355237.db2.gz	QGZUQOQVPFQXCN-QMMMGPOBSA-N	-1	0	309.293	0.530	20	30		DCEDRM
COC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC	ZINC000356629279	533095316	/nfs/dbraw/zinc/09/53/16/533095316.db2.gz	VEMLZDAPSCCCQR-NSHDSACASA-N	-1	0	318.395	0.568	20	30		DCEDRM
COCC[C@@H](NS(=O)(=O)c1ccc(C#N)c(C)c1)C(=O)[O-]	ZINC000234661799	395890007	/nfs/dbraw/zinc/89/00/07/395890007.db2.gz	CJUCVKDTJORIQZ-GFCCVEGCSA-N	-1	0	312.347	0.635	20	30		DCEDRM
COCC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C)C(=O)[O-]	ZINC000230095295	395878021	/nfs/dbraw/zinc/87/80/21/395878021.db2.gz	QCTQIMPCKCAWQR-NSHDSACASA-N	-1	0	312.347	0.635	20	30		DCEDRM
COCCN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccccc1C#N	ZINC000262009041	396089885	/nfs/dbraw/zinc/08/98/85/396089885.db2.gz	WDQXUYBRQSGOOY-NSHDSACASA-N	-1	0	306.318	0.885	20	30		DCEDRM
N#CCc1ccc(CS(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000594682799	396496673	/nfs/dbraw/zinc/49/66/73/396496673.db2.gz	GGZNEQHEZSRXFK-CYBMUJFWSA-N	-1	0	324.358	0.368	20	30		DCEDRM
Cc1nsc(N2CCN(Cc3nc(=O)[n-][nH]3)CC2)c1C#N	ZINC000289469580	396461026	/nfs/dbraw/zinc/46/10/26/396461026.db2.gz	MVXARKNDNUNSML-UHFFFAOYSA-N	-1	0	305.367	0.057	20	30		DCEDRM
CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000290683334	396469830	/nfs/dbraw/zinc/46/98/30/396469830.db2.gz	QFNGEZODGKVTOM-ZDUSSCGKSA-N	-1	0	309.347	0.971	20	30		DCEDRM
CCOC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C)C(=O)[O-]	ZINC000290718803	396470586	/nfs/dbraw/zinc/47/05/86/396470586.db2.gz	UTCLOOAVUWSOPI-NSHDSACASA-N	-1	0	312.347	0.635	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1ccc(C#N)cc1	ZINC000594538012	396485001	/nfs/dbraw/zinc/48/50/01/396485001.db2.gz	JGEIKSWVSGPZJP-VHSXEESVSA-N	-1	0	303.318	0.572	20	30		DCEDRM
CO[C@H](C[C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-])C1CC1	ZINC000594574315	396487774	/nfs/dbraw/zinc/48/77/74/396487774.db2.gz	XMBQBFGQCMSRMZ-NWDGAFQWSA-N	-1	0	318.395	0.868	20	30		DCEDRM
COC(=O)[C@@]1(NS(=O)(=O)N(C)CCC#N)CC[C@@H](C)CC1	ZINC000594837158	396525276	/nfs/dbraw/zinc/52/52/76/396525276.db2.gz	NNBSLIODODVVNE-AULYBMBSSA-N	-1	0	317.411	0.788	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-]	ZINC000581407717	396551667	/nfs/dbraw/zinc/55/16/67/396551667.db2.gz	SNWAYYNDRBOZEC-HBNTYKKESA-N	-1	0	301.368	0.262	20	30		DCEDRM
N#Cc1cccc(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1	ZINC000595261117	396574137	/nfs/dbraw/zinc/57/41/37/396574137.db2.gz	RNDQDAGHPXLVIN-CZUORRHYSA-N	-1	0	315.329	0.801	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1c[nH]c2ncccc12)C(=O)[O-]	ZINC000541927252	396611064	/nfs/dbraw/zinc/61/10/64/396611064.db2.gz	FTEGNPWXUNKXAQ-JTQLQIEISA-N	-1	0	307.331	0.708	20	30		DCEDRM
Cc1oc(NC(=O)CN(C)Cc2n[n-]c(=O)o2)c(C#N)c1C	ZINC000595545933	396629119	/nfs/dbraw/zinc/62/91/19/396629119.db2.gz	BGSHZMBLEQBDCT-UHFFFAOYSA-N	-1	0	305.294	0.927	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000595551987	396629706	/nfs/dbraw/zinc/62/97/06/396629706.db2.gz	MTIFGTFMUMQJFD-NSHDSACASA-N	-1	0	304.306	0.519	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)CC(=O)[N-]OCC2CC2)cc1	ZINC000293900343	396640201	/nfs/dbraw/zinc/64/02/01/396640201.db2.gz	ZRBJKKMRVODBDW-UHFFFAOYSA-N	-1	0	308.359	0.931	20	30		DCEDRM
COC(=O)c1ccc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)c(C#N)n1	ZINC000595981600	396702919	/nfs/dbraw/zinc/70/29/19/396702919.db2.gz	YGKAVVNHAOHMEX-KOLSJAJHSA-N	-1	0	305.290	0.376	20	30		DCEDRM
C[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000563127889	396705755	/nfs/dbraw/zinc/70/57/55/396705755.db2.gz	XCKWFLMIMGAYLN-ZYHUDNBSSA-N	-1	0	304.350	0.445	20	30		DCEDRM
CO[C@@H](C)c1nc(=NC(=O)NC2CCN(CC#N)CC2)s[n-]1	ZINC000589251613	396710325	/nfs/dbraw/zinc/71/03/25/396710325.db2.gz	HIDYWTWYGCWZPP-VIFPVBQESA-N	-1	0	324.410	0.777	20	30		DCEDRM
COCCN(CCC(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000589547723	396718368	/nfs/dbraw/zinc/71/83/68/396718368.db2.gz	HSSAXBSSMGBHJK-UHFFFAOYSA-N	-1	0	313.335	0.065	20	30		DCEDRM
Cn1ccc(S(=O)(=O)[N-]c2nc3n(c2C#N)CCS3)n1	ZINC000564830947	396875323	/nfs/dbraw/zinc/87/53/23/396875323.db2.gz	PWCVGORZGBFBEU-UHFFFAOYSA-N	-1	0	310.364	0.395	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000591350385	396905542	/nfs/dbraw/zinc/90/55/42/396905542.db2.gz	RGUWNZAQGWZUHD-LLVKDONJSA-N	-1	0	303.384	0.653	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1cccc(C#N)c1	ZINC000591459248	396923626	/nfs/dbraw/zinc/92/36/26/396923626.db2.gz	SWVSCCQLMUILSD-ZWNOBZJWSA-N	-1	0	315.329	0.669	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1	ZINC000591568508	396930495	/nfs/dbraw/zinc/93/04/95/396930495.db2.gz	QDLJEBBBZXGFGN-WQGACYEGSA-N	-1	0	321.377	0.708	20	30		DCEDRM
CC(C)(CCNC(=O)C(=O)N1CCC[C@](C)(C#N)C1)C(=O)[O-]	ZINC000591691991	396978404	/nfs/dbraw/zinc/97/84/04/396978404.db2.gz	DKKSDILYTAKGCG-OAHLLOKOSA-N	-1	0	309.366	0.756	20	30		DCEDRM
COCCN(CC#N)C(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000597755434	397090223	/nfs/dbraw/zinc/09/02/23/397090223.db2.gz	UJBQPSLNAZIATG-UHFFFAOYSA-N	-1	0	302.290	0.642	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)CCC(C)(F)F)C(=O)OC	ZINC000601409176	397106283	/nfs/dbraw/zinc/10/62/83/397106283.db2.gz	ZGQZNNAREGMSPU-SECBINFHSA-N	-1	0	315.338	0.695	20	30		DCEDRM
N#Cc1sccc1N1CCN(S(=O)(=O)c2ncc[n-]2)CC1	ZINC000601463815	397138270	/nfs/dbraw/zinc/13/82/70/397138270.db2.gz	NGVVBQWZSWSIKR-UHFFFAOYSA-N	-1	0	323.403	0.854	20	30		DCEDRM
N#CCc1ccc(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000592455018	397183266	/nfs/dbraw/zinc/18/32/66/397183266.db2.gz	XGUYLOOJRBWXDY-ZDUSSCGKSA-N	-1	0	324.358	0.368	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@H]1CCO[C@]2(CCOC2)C1	ZINC000365485590	397286866	/nfs/dbraw/zinc/28/68/66/397286866.db2.gz	VFCYCJJMVDBBMT-SMDDNHRTSA-N	-1	0	323.374	0.570	20	30		DCEDRM
C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602051633	397291296	/nfs/dbraw/zinc/29/12/96/397291296.db2.gz	FQPORSWSWJYEFF-PWSUYJOCSA-N	-1	0	304.350	0.858	20	30		DCEDRM
C[C@@H]1CCC[C@H](N(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602053828	397291607	/nfs/dbraw/zinc/29/16/07/397291607.db2.gz	CQVBCAUSVAXPNZ-PWSUYJOCSA-N	-1	0	304.350	0.858	20	30		DCEDRM
C[C@@H](C1CC1)N(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC000602060739	397292252	/nfs/dbraw/zinc/29/22/52/397292252.db2.gz	ZJIVVFWFZPUFTA-VIFPVBQESA-N	-1	0	302.334	0.610	20	30		DCEDRM
CC(C)C[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602111244	397304914	/nfs/dbraw/zinc/30/49/14/397304914.db2.gz	YNWBOPGOKZVROB-LLVKDONJSA-N	-1	0	304.350	0.715	20	30		DCEDRM
CC1(C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC000602113322	397305963	/nfs/dbraw/zinc/30/59/63/397305963.db2.gz	MHNWOVWFRFRNDG-UHFFFAOYSA-N	-1	0	308.363	0.175	20	30		DCEDRM
N#Cc1cn(CC(=O)N2C3CCCC2CCC3)c(=O)[n-]c1=O	ZINC000602112297	397306208	/nfs/dbraw/zinc/30/62/08/397306208.db2.gz	YLEVKZCPKGBERL-UHFFFAOYSA-N	-1	0	302.334	0.754	20	30		DCEDRM
CCC[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602115874	397306962	/nfs/dbraw/zinc/30/69/62/397306962.db2.gz	AIEWOBZACXNYJA-LLVKDONJSA-N	-1	0	304.350	0.859	20	30		DCEDRM
C[C@@H](N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1(C)CC1	ZINC000602114700	397307468	/nfs/dbraw/zinc/30/74/68/397307468.db2.gz	XLUHOGTZZSISFX-SNVBAGLBSA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CC[C@H](C3CC3)C2)c(=O)[n-]c1=O	ZINC000602133492	397313725	/nfs/dbraw/zinc/31/37/25/397313725.db2.gz	PYJMECLFXKHOJP-NSHDSACASA-N	-1	0	302.334	0.469	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCCC(F)(F)C2)c(=O)[n-]c1=O	ZINC000602169867	397331706	/nfs/dbraw/zinc/33/17/06/397331706.db2.gz	AJGHBJVERMPJAE-UHFFFAOYSA-N	-1	0	312.276	0.468	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-]	ZINC000593222143	397338923	/nfs/dbraw/zinc/33/89/23/397338923.db2.gz	JZIMAMRDXCQICZ-VWYCJHECSA-N	-1	0	303.384	0.650	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2O)c(F)c1	ZINC000599493355	397457850	/nfs/dbraw/zinc/45/78/50/397457850.db2.gz	NSZDOELFGSJKHD-GHMZBOCLSA-N	-1	0	318.301	0.265	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(N2CCOC2=O)c1	ZINC000494693419	397532697	/nfs/dbraw/zinc/53/26/97/397532697.db2.gz	KCTRXBVCNIOUSC-UHFFFAOYSA-N	-1	0	310.331	0.889	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCOC3)c1	ZINC000408476972	160117165	/nfs/dbraw/zinc/11/71/65/160117165.db2.gz	NCGULMSNICIIRO-GXTWGEPZSA-N	-1	0	306.343	0.790	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCO1	ZINC000408483349	160117722	/nfs/dbraw/zinc/11/77/22/160117722.db2.gz	BVSSTNAKPDSODU-MWLCHTKSSA-N	-1	0	309.347	0.573	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1	ZINC000342794834	415299016	/nfs/dbraw/zinc/29/90/16/415299016.db2.gz	WXBRTZIYQHYGFU-UHFFFAOYSA-N	-1	0	305.319	0.041	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000056412000	415331676	/nfs/dbraw/zinc/33/16/76/415331676.db2.gz	FXZKPGNQVZAPOG-QMMMGPOBSA-N	-1	0	301.306	0.645	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[C@H]1C(=O)[O-]	ZINC000276129985	415431978	/nfs/dbraw/zinc/43/19/78/415431978.db2.gz	MPTHPMGTSKEADF-JOYOIKCWSA-N	-1	0	309.347	0.685	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000106101868	415642343	/nfs/dbraw/zinc/64/23/43/415642343.db2.gz	JPRDPAKTEZMNAW-UHFFFAOYSA-N	-1	0	313.331	0.719	20	30		DCEDRM
C#CC[C@]1(C(=O)Nc2nn[nH]n2)CCCN1C(=O)OC(C)(C)C	ZINC000296022603	415905524	/nfs/dbraw/zinc/90/55/24/415905524.db2.gz	ZDFXOWYROVZQDT-CQSZACIVSA-N	-1	0	320.353	0.931	20	30		DCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)CCC(=O)OC	ZINC000299133712	416055121	/nfs/dbraw/zinc/05/51/21/416055121.db2.gz	FSXJXEZAIYLWEP-UHFFFAOYSA-N	-1	0	324.358	0.354	20	30		DCEDRM
COC(=O)c1coc(S(=O)(=O)[N-]c2ccc(C#N)cn2)c1	ZINC000338210461	416058400	/nfs/dbraw/zinc/05/84/00/416058400.db2.gz	ZVGIPIRBLWYMAL-UHFFFAOYSA-N	-1	0	307.287	1.134	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2ccc(F)cc2C(N)=O)c1	ZINC000357022402	416022310	/nfs/dbraw/zinc/02/23/10/416022310.db2.gz	CLSULHBUJFLWPC-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
COC(=O)Cn1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)n1	ZINC000357106877	416034269	/nfs/dbraw/zinc/03/42/69/416034269.db2.gz	QGCKLQWHCYGHSF-UHFFFAOYSA-N	-1	0	321.318	0.124	20	30		DCEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c2cnn(C)c2n1	ZINC000175251714	416100555	/nfs/dbraw/zinc/10/05/55/416100555.db2.gz	LZIKPUVKMWIAAT-UHFFFAOYSA-N	-1	0	306.289	0.995	20	30		DCEDRM
CC(C)N1C[C@H](/N=C(/[O-])c2cnc3n(c2=O)CCS3)CC1=O	ZINC000328704206	416127083	/nfs/dbraw/zinc/12/70/83/416127083.db2.gz	ORXWMDWXFSUPON-SECBINFHSA-N	-1	0	322.390	0.663	20	30		DCEDRM
C[C@@H](CNC(=O)CSc1n[nH]c(=O)[n-]1)N1CCCCC1=O	ZINC000329311273	416163913	/nfs/dbraw/zinc/16/39/13/416163913.db2.gz	GEDZVVVDIKHSCP-QMMMGPOBSA-N	-1	0	313.383	0.960	20	30		DCEDRM
COC(=O)c1csc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1	ZINC000358528221	416250954	/nfs/dbraw/zinc/25/09/54/416250954.db2.gz	OGQAGFUZNMQCNH-UHFFFAOYSA-N	-1	0	312.332	0.930	20	30		DCEDRM
C=CCN(C(=O)[C@@H]1CC[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000261990485	416336002	/nfs/dbraw/zinc/33/60/02/416336002.db2.gz	CSSPDZUMAJTPCG-AXFHLTTASA-N	-1	0	301.364	0.299	20	30		DCEDRM
C=CCC[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-]	ZINC000262890042	416337216	/nfs/dbraw/zinc/33/72/16/416337216.db2.gz	LKIZNFFKJSWOBW-UWVGGRQHSA-N	-1	0	320.411	0.486	20	30		DCEDRM
Cn1c(N[C@@H](CCC(C)(C)C)C(=O)[O-])c(C#N)c(=O)n(C)c1=O	ZINC000416439480	416369216	/nfs/dbraw/zinc/36/92/16/416369216.db2.gz	LZEILACFIQPFEX-JTQLQIEISA-N	-1	0	322.365	0.647	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000422642420	416443742	/nfs/dbraw/zinc/44/37/42/416443742.db2.gz	DTACBLYKBMIXTO-SNVBAGLBSA-N	-1	0	324.308	0.906	20	30		DCEDRM
CCC(CC)(CNC(=O)C(=O)Nc1ccc(C#N)cn1)C(=O)[O-]	ZINC000424442627	416644817	/nfs/dbraw/zinc/64/48/17/416644817.db2.gz	WDBIIYVOUCGLLK-UHFFFAOYSA-N	-1	0	318.333	0.899	20	30		DCEDRM
CC(C)(CCNC(=O)C(=O)Nc1ccc(C#N)cn1)C(=O)[O-]	ZINC000424439808	416645155	/nfs/dbraw/zinc/64/51/55/416645155.db2.gz	VGRLPYSUDFXSAJ-UHFFFAOYSA-N	-1	0	304.306	0.509	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424515081	416659603	/nfs/dbraw/zinc/65/96/03/416659603.db2.gz	HSGDFAFRYXRSOO-UHFFFAOYSA-N	-1	0	302.396	0.639	20	30		DCEDRM
N#Cc1cccnc1[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1	ZINC000443149239	416734620	/nfs/dbraw/zinc/73/46/20/416734620.db2.gz	VOOYPTRTDRHWHJ-LLVKDONJSA-N	-1	0	319.346	0.912	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCOC)CC(=O)[O-]	ZINC000562648142	416871239	/nfs/dbraw/zinc/87/12/39/416871239.db2.gz	OGBLGIJFOVYRTJ-WCQYABFASA-N	-1	0	300.355	0.710	20	30		DCEDRM
C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)CC1(CC#N)CC1	ZINC000519163031	416895343	/nfs/dbraw/zinc/89/53/43/416895343.db2.gz	NZFZXOPTUSLILT-DTWKUNHWSA-N	-1	0	304.393	0.858	20	30		DCEDRM
N#Cc1ccc(NCCN2c3ccccc3[N-]S2(=O)=O)nc1	ZINC000430539771	417043781	/nfs/dbraw/zinc/04/37/81/417043781.db2.gz	FDBJPTLHZQISCS-UHFFFAOYSA-N	-1	0	315.358	1.542	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000643169418	417158018	/nfs/dbraw/zinc/15/80/18/417158018.db2.gz	ZUWSUPMBASZROA-UHFFFAOYSA-N	-1	0	320.345	0.710	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F	ZINC000570455132	417355943	/nfs/dbraw/zinc/35/59/43/417355943.db2.gz	MODBLMIRTDIYJI-YUMQZZPRSA-N	-1	0	313.326	0.411	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000573255574	417469944	/nfs/dbraw/zinc/46/99/44/417469944.db2.gz	ZIPNKNPRKZBUBI-ZJUUUORDSA-N	-1	0	323.440	0.509	20	30		DCEDRM
C=CCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1	ZINC000573689971	417474373	/nfs/dbraw/zinc/47/43/73/417474373.db2.gz	UHQLRLCMPLQRBR-UHFFFAOYSA-N	-1	0	316.404	0.939	20	30		DCEDRM
CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)N(CC)C[C@@H](C)C#N	ZINC000573855202	417476646	/nfs/dbraw/zinc/47/66/46/417476646.db2.gz	XVNWPVMCBARMGG-QJPTWQEYSA-N	-1	0	317.411	0.898	20	30		DCEDRM
CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000576231453	417591614	/nfs/dbraw/zinc/59/16/14/417591614.db2.gz	IAEKRZKWVHUQOG-CMPLNLGQSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)CC(=O)[O-]	ZINC000530435610	417576248	/nfs/dbraw/zinc/57/62/48/417576248.db2.gz	BGGVVJYYGVZLMO-SNVBAGLBSA-N	-1	0	316.310	0.465	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCC(=O)NC1CCCC1)C(=O)[O-]	ZINC000455904098	417618612	/nfs/dbraw/zinc/61/86/12/417618612.db2.gz	MIYMYOZSHSMTSG-LBPRGKRZSA-N	-1	0	312.366	0.597	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000580571368	417714866	/nfs/dbraw/zinc/71/48/66/417714866.db2.gz	HOIOBLTUQSQTQD-UTUOFQBUSA-N	-1	0	317.411	0.755	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000580571367	417715926	/nfs/dbraw/zinc/71/59/26/417715926.db2.gz	HOIOBLTUQSQTQD-IJLUTSLNSA-N	-1	0	317.411	0.755	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-]	ZINC000646046940	417861398	/nfs/dbraw/zinc/86/13/98/417861398.db2.gz	LVAJBMTYYJRRBA-NSHDSACASA-N	-1	0	303.311	0.760	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c(C(F)(F)F)cnn1C)C(=O)[O-]	ZINC000659157721	418066622	/nfs/dbraw/zinc/06/66/22/418066622.db2.gz	WWBZILJKQRHPMN-QMMMGPOBSA-N	-1	0	321.255	0.825	20	30		DCEDRM
C=CCC[C@@H](NC(=O)c1ccc(=O)n(CCCOC)n1)C(=O)[O-]	ZINC000659154240	418066912	/nfs/dbraw/zinc/06/69/12/418066912.db2.gz	NTYHJSBRMRDCQG-GFCCVEGCSA-N	-1	0	323.349	0.429	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-]	ZINC000654805770	418190872	/nfs/dbraw/zinc/19/08/72/418190872.db2.gz	UUBJFOICBGMGLK-JTQLQIEISA-N	-1	0	318.395	0.530	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000362131994	262002800	/nfs/dbraw/zinc/00/28/00/262002800.db2.gz	QWAUQIUQIPSDQE-LBPRGKRZSA-N	-1	0	312.333	0.856	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000417480151	262252811	/nfs/dbraw/zinc/25/28/11/262252811.db2.gz	GARILUQYFUOJGF-QMMMGPOBSA-N	-1	0	300.311	0.932	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccc[nH]2)cn1	ZINC000492870306	268255104	/nfs/dbraw/zinc/25/51/04/268255104.db2.gz	VWFPCLYUFHSOIF-GQCTYLIASA-N	-1	0	302.315	0.800	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)[C@]34C[C@H]3CCC4)C2)c(=O)[n-]c1=O	ZINC000530270963	268307158	/nfs/dbraw/zinc/30/71/58/268307158.db2.gz	BMWLAMNQYSBCOI-MEBBXXQBSA-N	-1	0	300.318	0.394	20	30		DCEDRM
Cn1ccc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc(C#N)nc2)c1	ZINC000493476117	272191370	/nfs/dbraw/zinc/19/13/70/272191370.db2.gz	CKQVBDYEAOEWCM-GORDUTHDSA-N	-1	0	316.342	0.810	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)/C=C\c2cccnc2)c1	ZINC000493635001	272200799	/nfs/dbraw/zinc/20/07/99/272200799.db2.gz	UMXCOZHZBZFGAQ-ARJAWSKDSA-N	-1	0	314.326	0.867	20	30		DCEDRM
C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cccc(C#N)c1	ZINC000548243372	288124375	/nfs/dbraw/zinc/12/43/75/288124375.db2.gz	STRAYJRNBMQMFQ-SNVBAGLBSA-N	-1	0	312.347	0.404	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)cc1	ZINC000548531205	288150729	/nfs/dbraw/zinc/15/07/29/288150729.db2.gz	XUMWCSUMANSRBZ-JQWIXIFHSA-N	-1	0	310.331	0.326	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)NCC(C)(C)C(=O)[O-]	ZINC000548542817	288152514	/nfs/dbraw/zinc/15/25/14/288152514.db2.gz	PNTWLOABBREAEF-UHFFFAOYSA-N	-1	0	312.347	0.956	20	30		DCEDRM
CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)cc2F)n1	ZINC000551951585	288249173	/nfs/dbraw/zinc/24/91/73/288249173.db2.gz	HRGOAFDACVNBRN-UHFFFAOYSA-N	-1	0	310.314	0.682	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]c1nc2n(c1C#N)CCS2	ZINC000555194513	288345763	/nfs/dbraw/zinc/34/57/63/288345763.db2.gz	OQAUAMRHZAEQTI-UHFFFAOYSA-N	-1	0	324.391	0.703	20	30		DCEDRM
C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000563127888	288635085	/nfs/dbraw/zinc/63/50/85/288635085.db2.gz	XCKWFLMIMGAYLN-PWSUYJOCSA-N	-1	0	304.350	0.445	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)CC(=O)[O-]	ZINC000563853469	288708883	/nfs/dbraw/zinc/70/88/83/288708883.db2.gz	XVHPZXGZMHHPJM-SECBINFHSA-N	-1	0	316.310	0.465	20	30		DCEDRM
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1(C#N)CCCC1	ZINC000262149607	289455766	/nfs/dbraw/zinc/45/57/66/289455766.db2.gz	TWIMQZPYTOHCCF-UHFFFAOYSA-N	-1	0	321.377	0.852	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000230108935	301075410	/nfs/dbraw/zinc/07/54/10/301075410.db2.gz	ZXJVGWCDOBXDMF-LLVKDONJSA-N	-1	0	310.331	0.341	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000570919261	332842179	/nfs/dbraw/zinc/84/21/79/332842179.db2.gz	OYDXBKZTBCCWPK-NSHDSACASA-N	-1	0	309.366	0.708	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CC)C(=O)[O-]	ZINC000570321014	332738927	/nfs/dbraw/zinc/73/89/27/332738927.db2.gz	XTGHTTOEYWAYDK-SNVBAGLBSA-N	-1	0	319.317	0.875	20	30		DCEDRM
Cn1nccc1[C@@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000582063376	333194891	/nfs/dbraw/zinc/19/48/91/333194891.db2.gz	ZRDLDJXSEAWUNK-SNVBAGLBSA-N	-1	0	312.351	0.159	20	30		DCEDRM
CC[C@@H](NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000582062669	333195926	/nfs/dbraw/zinc/19/59/26/333195926.db2.gz	UTISCHKVPAMZTK-MRVPVSSYSA-N	-1	0	310.697	0.525	20	30		DCEDRM
Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000330007957	336105154	/nfs/dbraw/zinc/10/51/54/336105154.db2.gz	GGHJMXVZECSTQP-UHFFFAOYSA-N	-1	0	316.325	0.551	20	30		DCEDRM
CN1CCC[C@H](/N=C(/[O-])c2cnc3n(c2=O)CCS3)C1=O	ZINC000330157539	336119078	/nfs/dbraw/zinc/11/90/78/336119078.db2.gz	PQLPQKYMHJRJFU-VIFPVBQESA-N	-1	0	308.363	0.274	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000582363757	336942318	/nfs/dbraw/zinc/94/23/18/336942318.db2.gz	IDAPCNGCUKZRPL-MXWKQRLJSA-N	-1	0	303.384	0.365	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)[O-]	ZINC000583697277	337083288	/nfs/dbraw/zinc/08/32/88/337083288.db2.gz	ZQIRDPDEBCLGJH-GXSJLCMTSA-N	-1	0	319.383	0.125	20	30		DCEDRM
CC(C)(CCNC(=O)C(=O)N1CCC(C)(C#N)CC1)C(=O)[O-]	ZINC000424482697	337838202	/nfs/dbraw/zinc/83/82/02/337838202.db2.gz	NOLQDZLWFXJQNM-UHFFFAOYSA-N	-1	0	309.366	0.756	20	30		DCEDRM
N#CCCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000439280513	338365883	/nfs/dbraw/zinc/36/58/83/338365883.db2.gz	DCUOJKZWHQCWDB-UHFFFAOYSA-N	-1	0	314.333	0.351	20	30		DCEDRM
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC2(C#N)CC2)c1	ZINC000546645913	341176942	/nfs/dbraw/zinc/17/69/42/341176942.db2.gz	NVEXHMYGRWDMSA-UHFFFAOYSA-N	-1	0	309.347	0.428	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCCC(C)(C)[C@H]1C(=O)[O-]	ZINC000567476191	341609122	/nfs/dbraw/zinc/60/91/22/341609122.db2.gz	DBQRBAOTENVMIP-GHMZBOCLSA-N	-1	0	317.411	0.898	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](C)c1cn(C)nc1C)C(=O)[O-]	ZINC000576855606	341866517	/nfs/dbraw/zinc/86/65/17/341866517.db2.gz	IPAQODZLODOOMI-CABZTGNLSA-N	-1	0	310.354	0.745	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000262864593	526786209	/nfs/dbraw/zinc/78/62/09/526786209.db2.gz	AZEDSJJLAIKUOS-CYBMUJFWSA-N	-1	0	304.302	0.709	20	30		DCEDRM
C=CCOc1ccccc1C(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000321870776	526926595	/nfs/dbraw/zinc/92/65/95/526926595.db2.gz	PWZVKKZYGKMUQB-UHFFFAOYSA-N	-1	0	316.317	0.858	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC000276372401	527130747	/nfs/dbraw/zinc/13/07/47/527130747.db2.gz	VIZGVTHKQZLITI-LBPRGKRZSA-N	-1	0	318.329	0.721	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2nccnc2C#N)C1=O	ZINC000416448122	528930370	/nfs/dbraw/zinc/93/03/70/528930370.db2.gz	SVPJJJWNIPSOBS-MWLCHTKSSA-N	-1	0	303.322	0.470	20	30		DCEDRM
C=CCCOCC(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000678981948	548019748	/nfs/dbraw/zinc/01/97/48/548019748.db2.gz	KHNGJXLYXVXWPG-UHFFFAOYSA-N	-1	0	312.366	0.361	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](C)C1CCOCC1)C(=O)[O-]	ZINC000684735451	548643364	/nfs/dbraw/zinc/64/33/64/548643364.db2.gz	MMKUEHCFXBOBQN-JQWIXIFHSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C#CCN(CC#C)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000817668717	596929483	/nfs/dbraw/zinc/92/94/83/596929483.db2.gz	VXUVTVPEZSUYQS-HNNXBMFYSA-N	-1	0	309.325	0.801	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)CSCC(=O)[O-])c1	ZINC000738468055	597088847	/nfs/dbraw/zinc/08/88/47/597088847.db2.gz	RSAWNAJCDQQAEL-UHFFFAOYSA-N	-1	0	306.343	0.540	20	30		DCEDRM
N#CCc1cccc(C(=O)OCc2cn(CC(=O)[O-])nn2)c1	ZINC000819091261	597123962	/nfs/dbraw/zinc/12/39/62/597123962.db2.gz	WJJPPXUNBKEFAF-UHFFFAOYSA-N	-1	0	300.274	0.786	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000817685991	597293525	/nfs/dbraw/zinc/29/35/25/597293525.db2.gz	VHDHFNGZXDKRGZ-SNVBAGLBSA-N	-1	0	311.359	0.990	20	30		DCEDRM
Cc1cc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)ccc1C(=O)[O-]	ZINC000821046170	597464684	/nfs/dbraw/zinc/46/46/84/597464684.db2.gz	WTUZIYCCPYZUEJ-UHFFFAOYSA-N	-1	0	314.301	0.706	20	30		DCEDRM
CC[C@@H]1CN(C(C)=O)CC[C@@H]1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820297094	597604496	/nfs/dbraw/zinc/60/44/96/597604496.db2.gz	LXURPQYWTRHRRB-TYNCELHUSA-N	-1	0	309.366	0.754	20	30		DCEDRM
Cc1cc(NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])n(C)n1	ZINC000821013608	597625567	/nfs/dbraw/zinc/62/55/67/597625567.db2.gz	KJPMYKLAHZOLMT-ZDUSSCGKSA-N	-1	0	308.294	0.215	20	30		DCEDRM
Cc1cc(NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])n(C)n1	ZINC000821013607	597625588	/nfs/dbraw/zinc/62/55/88/597625588.db2.gz	KJPMYKLAHZOLMT-CYBMUJFWSA-N	-1	0	308.294	0.215	20	30		DCEDRM
COc1ccc([C@@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC000820826605	597634060	/nfs/dbraw/zinc/63/40/60/597634060.db2.gz	HLCSWSSONMGVTO-SWLSCSKDSA-N	-1	0	306.318	0.849	20	30		DCEDRM
Cc1nc(CN2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)no1	ZINC000821171466	597646166	/nfs/dbraw/zinc/64/61/66/597646166.db2.gz	VJHGZIXEJSONFY-AWEZNQCLSA-N	-1	0	321.337	0.027	20	30		DCEDRM
CC(C)OCCN1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820033083	597652862	/nfs/dbraw/zinc/65/28/62/597652862.db2.gz	WRSLFRRCADJDHD-HNNXBMFYSA-N	-1	0	311.382	0.560	20	30		DCEDRM
CCc1nnc2n1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000820503972	598226104	/nfs/dbraw/zinc/22/61/04/598226104.db2.gz	MKTMPQVWUBAEIU-YMTOWFKASA-N	-1	0	305.338	0.276	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000819823423	598227384	/nfs/dbraw/zinc/22/73/84/598227384.db2.gz	UQQKRXSWKGZWFC-WRWORJQWSA-N	-1	0	321.255	0.270	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCS(=O)(=O)c1ccccc1	ZINC000819841617	598228089	/nfs/dbraw/zinc/22/80/89/598228089.db2.gz	BTOHUTKXDYMEQC-CQSZACIVSA-N	-1	0	324.358	0.581	20	30		DCEDRM
COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820749077	598230445	/nfs/dbraw/zinc/23/04/45/598230445.db2.gz	FXPGUBIAUFXFED-OTYXRUKQSA-N	-1	0	321.337	0.380	20	30		DCEDRM
CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC000736889398	599791376	/nfs/dbraw/zinc/79/13/76/599791376.db2.gz	XRIMOMFLJOVPAE-NOZJJQNGSA-N	-1	0	319.317	0.726	20	30		DCEDRM
C=CCCC(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1	ZINC000736098268	599817289	/nfs/dbraw/zinc/81/72/89/599817289.db2.gz	ZFCDYYDNTYNHNR-UHFFFAOYSA-N	-1	0	312.347	0.954	20	30		DCEDRM
C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CC(=O)NCC#N	ZINC000736825316	599927561	/nfs/dbraw/zinc/92/75/61/599927561.db2.gz	RMUCIYIBUKTKJB-GFCCVEGCSA-N	-1	0	316.361	0.535	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1	ZINC000738520938	599998152	/nfs/dbraw/zinc/99/81/52/599998152.db2.gz	SEAAEMGMCKFUQC-NSHDSACASA-N	-1	0	317.301	0.383	20	30		DCEDRM
N#Cc1ccc(SCC(=O)OCC(=O)NCCC(=O)[O-])cc1	ZINC000739132342	600003301	/nfs/dbraw/zinc/00/33/01/600003301.db2.gz	KMOZXYNCQWNCQU-UHFFFAOYSA-N	-1	0	322.342	0.784	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)CCSCC(=O)[O-])CC1	ZINC000736346926	600066352	/nfs/dbraw/zinc/06/63/52/600066352.db2.gz	CWTWZXVQPOSJGB-GFCCVEGCSA-N	-1	0	313.423	0.887	20	30		DCEDRM
C#Cc1ccc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)nc1	ZINC000736093529	600117887	/nfs/dbraw/zinc/11/78/87/600117887.db2.gz	VCTMMFJCBAABGJ-UHFFFAOYSA-N	-1	0	316.313	0.543	20	30		DCEDRM
Cc1oc(NC(=O)COC(=O)[C@H]2C[C@H]2C(=O)[O-])c(C#N)c1C	ZINC000738975029	600171045	/nfs/dbraw/zinc/17/10/45/600171045.db2.gz	KBSQNJBRUPSUQR-BDAKNGLRSA-N	-1	0	306.274	0.971	20	30		DCEDRM
N#CCN(C(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccccc1	ZINC000739075386	600171907	/nfs/dbraw/zinc/17/19/07/600171907.db2.gz	FCAVITBKVAXKES-NWDGAFQWSA-N	-1	0	302.286	0.807	20	30		DCEDRM
O=C([O-])c1ccc2[nH]cc(C=NN[C@@H]3CCS(=O)(=O)C3)c2c1	ZINC000740191250	600180614	/nfs/dbraw/zinc/18/06/14/600180614.db2.gz	WGHMTDJGPOOUBB-LLVKDONJSA-N	-1	0	321.358	0.977	20	30		DCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C	ZINC000736380568	600211602	/nfs/dbraw/zinc/21/16/02/600211602.db2.gz	HGDJSIBHZRKAAU-RISCZKNCSA-N	-1	0	313.354	0.876	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCCNC(=O)c1ccccc1	ZINC000739077281	600405898	/nfs/dbraw/zinc/40/58/98/600405898.db2.gz	KYOCYWJVGXUUIA-UHFFFAOYSA-N	-1	0	303.318	0.633	20	30		DCEDRM
Cn1cc(C(=O)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cn1	ZINC000739027687	600616057	/nfs/dbraw/zinc/61/60/57/600616057.db2.gz	VILFUVBCAKHNPB-ZDUSSCGKSA-N	-1	0	313.269	0.844	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)COc1ccccc1C#N	ZINC000737789568	600619347	/nfs/dbraw/zinc/61/93/47/600619347.db2.gz	NEZHJFYXDNSTOH-UHFFFAOYSA-N	-1	0	306.318	0.887	20	30		DCEDRM
N#CCCCS(=O)(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC000739073592	600636316	/nfs/dbraw/zinc/63/63/16/600636316.db2.gz	WDILDZAQKWYJEI-UHFFFAOYSA-N	-1	0	312.347	0.873	20	30		DCEDRM
O=C([O-])[C@@H]1CCCCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000740308025	600660856	/nfs/dbraw/zinc/66/08/56/600660856.db2.gz	SDSVQOHMTXHDFE-DZOVYVGFSA-N	-1	0	321.333	0.369	20	30		DCEDRM
COc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1F	ZINC000738058288	600796810	/nfs/dbraw/zinc/79/68/10/600796810.db2.gz	RGZMWAKLRZUKGS-UHFFFAOYSA-N	-1	0	302.283	0.433	20	30		DCEDRM
N#CCN(CCC(=O)Nc1ccc2c(c1)OCO2)CC(=O)[O-]	ZINC000833066906	601002889	/nfs/dbraw/zinc/00/28/89/601002889.db2.gz	KUYVKOFBETYNRI-UHFFFAOYSA-N	-1	0	305.290	0.654	20	30		DCEDRM
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000828251193	601003724	/nfs/dbraw/zinc/00/37/24/601003724.db2.gz	FNXWKRDXEZESPF-GHMZBOCLSA-N	-1	0	310.354	0.301	20	30		DCEDRM
COC(=O)CN(CC#N)CC(=O)Nc1ccccc1C(=O)[O-]	ZINC000831163873	601004340	/nfs/dbraw/zinc/00/43/40/601004340.db2.gz	DYUZLYQYAMMHGH-UHFFFAOYSA-N	-1	0	305.290	0.322	20	30		DCEDRM
COCc1ccccc1CNC(=O)CN(CC#N)CC(=O)[O-]	ZINC000831821857	601006309	/nfs/dbraw/zinc/00/63/09/601006309.db2.gz	GMQIONCHAXNTRX-UHFFFAOYSA-N	-1	0	305.334	0.359	20	30		DCEDRM
COc1cc(C(=O)N(CC#N)CC(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000737843958	601019825	/nfs/dbraw/zinc/01/98/25/601019825.db2.gz	BTYDDEASFRIGHB-UHFFFAOYSA-N	-1	0	323.261	0.662	20	30		DCEDRM
N#C[C@H]1CN(C(=O)Nc2ccn(CC(=O)[O-])n2)CCN1C1CC1	ZINC000833062744	601064543	/nfs/dbraw/zinc/06/45/43/601064543.db2.gz	PREXXUKSNQCUJC-NSHDSACASA-N	-1	0	318.337	0.172	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000832152418	601279450	/nfs/dbraw/zinc/27/94/50/601279450.db2.gz	FIPLDFSNBOIHPY-UHFFFAOYSA-N	-1	0	301.262	0.495	20	30		DCEDRM
C[C@@](C#N)(NC(=O)Cn1cc(C(=O)[O-])nn1)C1CCCCC1	ZINC000825967714	601286709	/nfs/dbraw/zinc/28/67/09/601286709.db2.gz	ZEPMEXZQGXAZMF-AWEZNQCLSA-N	-1	0	305.338	0.955	20	30		DCEDRM
CN(C)C(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000830563363	601311453	/nfs/dbraw/zinc/31/14/53/601311453.db2.gz	IKYKZPHGIUUVOR-CQSZACIVSA-N	-1	0	316.361	0.983	20	30		DCEDRM
COc1cc(C#N)ccc1OCCN1CCOC[C@@H]1C(=O)[O-]	ZINC000831861290	601558529	/nfs/dbraw/zinc/55/85/29/601558529.db2.gz	TVGBDJOMBKHBHY-GFCCVEGCSA-N	-1	0	306.318	0.731	20	30		DCEDRM
N#Cc1cccc(-c2nnc(CN3CCOC[C@@H]3C(=O)[O-])o2)c1	ZINC000833073869	601558659	/nfs/dbraw/zinc/55/86/59/601558659.db2.gz	JBIJNVXXDCBNSI-GFCCVEGCSA-N	-1	0	314.301	0.894	20	30		DCEDRM
C[C@@H]1CN(c2ncnc3c2cnn3CCC#N)C[C@@H]1C(=O)[O-]	ZINC000828500727	601564650	/nfs/dbraw/zinc/56/46/50/601564650.db2.gz	WZTUQZJWWLCUPN-KOLCDFICSA-N	-1	0	300.322	0.897	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c(F)c1	ZINC000833068747	601684615	/nfs/dbraw/zinc/68/46/15/601684615.db2.gz	LHXWIZCMEGTJDW-UHFFFAOYSA-N	-1	0	307.216	0.834	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000825642268	601874096	/nfs/dbraw/zinc/87/40/96/601874096.db2.gz	MFCXVWUZBRDJBE-UHFFFAOYSA-N	-1	0	320.345	0.961	20	30		DCEDRM
N#CCN1CCC(CNS(=O)(=O)CCCC(=O)[O-])CC1	ZINC000833066586	602205066	/nfs/dbraw/zinc/20/50/66/602205066.db2.gz	BTWZOCTYWNGMMB-UHFFFAOYSA-N	-1	0	303.384	0.006	20	30		DCEDRM
C[C@H](CC(=O)[O-])C(=O)OCC(=O)NCc1ccc(C#N)cc1	ZINC000827332232	602273534	/nfs/dbraw/zinc/27/35/34/602273534.db2.gz	BCANAMBOBNDHPN-SNVBAGLBSA-N	-1	0	304.302	0.828	20	30		DCEDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)OCCn1ncc(C#N)c1N	ZINC000736422892	602664480	/nfs/dbraw/zinc/66/44/80/602664480.db2.gz	BWNUQCKVNPROPE-JTQLQIEISA-N	-1	0	309.326	0.562	20	30		DCEDRM
C#CCCN1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)CC1	ZINC000823445036	602790453	/nfs/dbraw/zinc/79/04/53/602790453.db2.gz	VAIJEQWKNWYIKZ-UHFFFAOYSA-N	-1	0	305.334	0.828	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CCN1C(=O)[O-]	ZINC000826074948	603124518	/nfs/dbraw/zinc/12/45/18/603124518.db2.gz	RZASGDKXKZETGQ-SECBINFHSA-N	-1	0	310.335	0.326	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N[C@@H]1CCN(C(=O)[O-])C1	ZINC000831118449	603190239	/nfs/dbraw/zinc/19/02/39/603190239.db2.gz	ZIRUCHBVMRFOHZ-SECBINFHSA-N	-1	0	310.335	0.370	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)nc1	ZINC000831137225	603466091	/nfs/dbraw/zinc/46/60/91/603466091.db2.gz	TXSFEAJZANIENJ-NWDGAFQWSA-N	-1	0	317.349	0.918	20	30		DCEDRM
Cn1ncc2c1ncn(N=Cc1ccc(NC(=O)[O-])nc1)c2=O	ZINC000831055219	603487856	/nfs/dbraw/zinc/48/78/56/603487856.db2.gz	QTZXLVXREWREIC-UHFFFAOYSA-N	-1	0	313.277	0.497	20	30		DCEDRM
Cc1noc(CCCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000830921165	603588961	/nfs/dbraw/zinc/58/89/61/603588961.db2.gz	QYTUKSWAXAIGRB-SNVBAGLBSA-N	-1	0	307.310	0.415	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCCNC(=O)C1CC1	ZINC000831081893	603592385	/nfs/dbraw/zinc/59/23/85/603592385.db2.gz	COFPEARNRBZGJV-LLVKDONJSA-N	-1	0	308.338	0.007	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCCNC(=O)C1CC1	ZINC000831081894	603592644	/nfs/dbraw/zinc/59/26/44/603592644.db2.gz	COFPEARNRBZGJV-NSHDSACASA-N	-1	0	308.338	0.007	20	30		DCEDRM
N#CCN(CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O)C1CCCC1	ZINC000831097588	603605721	/nfs/dbraw/zinc/60/57/21/603605721.db2.gz	LXBLIVHEJJLZLE-ZDUSSCGKSA-N	-1	0	321.381	0.812	20	30		DCEDRM
CCO[C@H](C)c1noc(CN2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000827371319	603729212	/nfs/dbraw/zinc/72/92/12/603729212.db2.gz	JLOFVMWSGBIAFX-NXEZZACHSA-N	-1	0	309.326	0.855	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)C[C@H]1CCCN(C(=O)[O-])C1	ZINC000831097209	603914096	/nfs/dbraw/zinc/91/40/96/603914096.db2.gz	FLWOWDWGXOPJEP-OAHLLOKOSA-N	-1	0	324.425	0.924	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CNC(=O)[O-])c1ccccc1	ZINC000823457128	603923767	/nfs/dbraw/zinc/92/37/67/603923767.db2.gz	VGWMZINNQIVMES-AAEUAGOBSA-N	-1	0	318.329	0.719	20	30		DCEDRM
N#C[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)c1ccc(F)cc1	ZINC000831070728	603973865	/nfs/dbraw/zinc/97/38/65/603973865.db2.gz	QUPKPGFSHJGIMX-GFCCVEGCSA-N	-1	0	307.281	0.885	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000831086944	604066423	/nfs/dbraw/zinc/06/64/23/604066423.db2.gz	HRNCIUXZAJYULV-ZETCQYMHSA-N	-1	0	310.291	0.984	20	30		DCEDRM
Cc1sc(=O)n(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1C	ZINC000830952681	604072881	/nfs/dbraw/zinc/07/28/81/604072881.db2.gz	LLOHRFQWLPLUNZ-JTQLQIEISA-N	-1	0	324.362	0.241	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1COc2ccccc2O1	ZINC000831076686	604073087	/nfs/dbraw/zinc/07/30/87/604073087.db2.gz	RANDNAJGUPFLNJ-ZWNOBZJWSA-N	-1	0	317.301	0.541	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2nccnc2c1	ZINC000831087834	604082614	/nfs/dbraw/zinc/08/26/14/604082614.db2.gz	ROIXURCENKCYNO-NSHDSACASA-N	-1	0	311.301	0.958	20	30		DCEDRM
Cc1ccn2ncc(C(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)c2n1	ZINC000830607160	604084909	/nfs/dbraw/zinc/08/49/09/604084909.db2.gz	MQIUSUCFDITNLO-SNVBAGLBSA-N	-1	0	314.305	0.366	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CN1CCc2ccccc21	ZINC000831082569	604087126	/nfs/dbraw/zinc/08/71/26/604087126.db2.gz	OAMORZLBMSEQOP-CYBMUJFWSA-N	-1	0	314.345	0.763	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000830411484	604244447	/nfs/dbraw/zinc/24/44/47/604244447.db2.gz	WWRUVYJCJYBYTR-NSHDSACASA-N	-1	0	309.347	0.872	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000831142312	604245193	/nfs/dbraw/zinc/24/51/93/604245193.db2.gz	VXONVTCWECYGEP-NSHDSACASA-N	-1	0	320.330	0.435	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])n1	ZINC000833078444	604337760	/nfs/dbraw/zinc/33/77/60/604337760.db2.gz	KMPBNIGKRRQPHW-MNOVXSKESA-N	-1	0	305.338	0.690	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCO1	ZINC000825350250	604364653	/nfs/dbraw/zinc/36/46/53/604364653.db2.gz	HQHOWZYBIGWXDW-CQDKDKBSSA-N	-1	0	319.361	0.949	20	30		DCEDRM
CN1CCN(C(=O)c2cc(C#N)cs2)[C@H](CNC(=O)[O-])C1	ZINC000828508009	604399685	/nfs/dbraw/zinc/39/96/85/604399685.db2.gz	VXAJHTIYDMDANJ-SNVBAGLBSA-N	-1	0	308.363	0.644	20	30		DCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000827016585	604400250	/nfs/dbraw/zinc/40/02/50/604400250.db2.gz	PZWHLLPGGSLACD-SWLSCSKDSA-N	-1	0	311.382	0.605	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814845063	604640786	/nfs/dbraw/zinc/64/07/86/604640786.db2.gz	SSXKCXCHWMQJNO-VIFPVBQESA-N	-1	0	316.427	0.854	20	30		DCEDRM
N#C[C@H]1CN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CCO1	ZINC000833063132	604763043	/nfs/dbraw/zinc/76/30/43/604763043.db2.gz	SQJRXQVCZLDHJD-ZDUSSCGKSA-N	-1	0	318.333	0.617	20	30		DCEDRM
C=CCCS(=O)(=O)N(C)CCN1CCN(C(=O)[O-])CC1	ZINC000823500939	604763768	/nfs/dbraw/zinc/76/37/68/604763768.db2.gz	NOZSHVDJAUXEQD-UHFFFAOYSA-N	-1	0	305.400	0.120	20	30		DCEDRM
CC(=NNC(=S)NC1CCCCC1)c1cn(CC(=O)[O-])nn1	ZINC000825804330	604782684	/nfs/dbraw/zinc/78/26/84/604782684.db2.gz	DWGGCFXEUOZPAQ-UHFFFAOYSA-N	-1	0	324.410	0.884	20	30		DCEDRM
CC(=NNC(=S)N[C@@H](C)C1CC1)c1cn(CC(=O)[O-])nn1	ZINC000825804369	604786546	/nfs/dbraw/zinc/78/65/46/604786546.db2.gz	GUZPLRHBPFXIHD-ZETCQYMHSA-N	-1	0	310.383	0.349	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC000825687228	604846921	/nfs/dbraw/zinc/84/69/21/604846921.db2.gz	FSXIKODYCYXLHK-UHFFFAOYSA-N	-1	0	323.305	0.498	20	30		DCEDRM
CN(C(=O)C#Cc1ccc2c(c1)OCO2)[C@H]1CCN(C(=O)[O-])C1	ZINC000827730072	604865744	/nfs/dbraw/zinc/86/57/44/604865744.db2.gz	CALSEGRTGKAWNB-LBPRGKRZSA-N	-1	0	316.313	0.978	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)CN(CC(=O)[O-])C(C)C)CC1	ZINC000819954957	605043857	/nfs/dbraw/zinc/04/38/57/605043857.db2.gz	DWHJMABWWWYRMT-CQSZACIVSA-N	-1	0	324.425	0.474	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000833370798	605057515	/nfs/dbraw/zinc/05/75/15/605057515.db2.gz	NFZWJJNOZPLVQL-VIFPVBQESA-N	-1	0	324.308	0.763	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000833369695	605058787	/nfs/dbraw/zinc/05/87/87/605058787.db2.gz	CXHBTJJEHNIDHX-SECBINFHSA-N	-1	0	302.352	0.186	20	30		DCEDRM
CC[C@H](NC(=O)[O-])C(=O)OCC(=O)NCc1ccc(C#N)cc1	ZINC000827538450	605083022	/nfs/dbraw/zinc/08/30/22/605083022.db2.gz	GAHRXJBIVVHPBU-LBPRGKRZSA-N	-1	0	319.317	0.764	20	30		DCEDRM
C#CCCN1CCN(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1	ZINC000833362343	605192336	/nfs/dbraw/zinc/19/23/36/605192336.db2.gz	MZYNOYOANHMENT-ZFWWWQNUSA-N	-1	0	309.410	0.243	20	30		DCEDRM
COC(=O)C1=C(C)O[C@@H](Cn2cc(C(=O)[O-])cc(C#N)c2=O)C1	ZINC000833702859	605236079	/nfs/dbraw/zinc/23/60/79/605236079.db2.gz	AREQZXXYDDUFTF-LLVKDONJSA-N	-1	0	318.285	0.654	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1NCC1(NC(=O)[O-])CCC1	ZINC000833975107	605362064	/nfs/dbraw/zinc/36/20/64/605362064.db2.gz	RDODVHCVAVGZPM-UHFFFAOYSA-N	-1	0	324.362	0.808	20	30		DCEDRM
C[C@@]1(C#N)CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC000833551879	605417398	/nfs/dbraw/zinc/41/73/98/605417398.db2.gz	UEFIQXLHWYYYHI-ZDUSSCGKSA-N	-1	0	315.395	0.653	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833374412	605649829	/nfs/dbraw/zinc/64/98/29/605649829.db2.gz	ZQTSAKBNEQDBEJ-WOPDTQHZSA-N	-1	0	313.350	0.832	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000833376017	605674940	/nfs/dbraw/zinc/67/49/40/605674940.db2.gz	QTFGPDBDXSTCQT-UHFFFAOYSA-N	-1	0	310.281	0.781	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])C[C@@H]1NCCS(=O)(=O)c1ccccc1	ZINC000833966282	605685461	/nfs/dbraw/zinc/68/54/61/605685461.db2.gz	JGYJOSIXTZPEAB-AAEUAGOBSA-N	-1	0	323.374	0.552	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC2CN(C(=O)[O-])C2)c(F)c1	ZINC000833977902	605726474	/nfs/dbraw/zinc/72/64/74/605726474.db2.gz	UPVIBDIRNBDYRP-UHFFFAOYSA-N	-1	0	313.310	0.585	20	30		DCEDRM
N#CC1(COC(=O)[C@H]2CSCN2C(=O)[O-])CCOCC1	ZINC000833964725	605781223	/nfs/dbraw/zinc/78/12/23/605781223.db2.gz	NYDLTICGXBRZNG-SECBINFHSA-N	-1	0	300.336	0.903	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1	ZINC000825219724	605783736	/nfs/dbraw/zinc/78/37/36/605783736.db2.gz	OQIJONCXOSIYMA-UWVGGRQHSA-N	-1	0	306.326	0.044	20	30		DCEDRM
COc1ccc(C#N)cc1COC(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000829269270	605812767	/nfs/dbraw/zinc/81/27/67/605812767.db2.gz	SERARTXYTOEFRY-GFCCVEGCSA-N	-1	0	320.301	0.989	20	30		DCEDRM
N#CCNC(=O)COC(=O)[C@H]1c2ccccc2CCN1C(=O)[O-]	ZINC000831102493	605896675	/nfs/dbraw/zinc/89/66/75/605896675.db2.gz	LJMGZUCJHKIHMW-CYBMUJFWSA-N	-1	0	317.301	0.447	20	30		DCEDRM
C#CCN(CC)C(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC000833364003	605901232	/nfs/dbraw/zinc/90/12/32/605901232.db2.gz	CNBCWQSABKMHRV-UHFFFAOYSA-N	-1	0	304.302	0.814	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC(NC(=O)[O-])CC2)nc1	ZINC000833973634	605996896	/nfs/dbraw/zinc/99/68/96/605996896.db2.gz	BCDRQRCURBGWAH-UHFFFAOYSA-N	-1	0	303.322	0.624	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@H](CC(F)F)NC(=O)[O-])CC1	ZINC000833967746	606057290	/nfs/dbraw/zinc/05/72/90/606057290.db2.gz	ULWLUIAOJQXRJW-JTQLQIEISA-N	-1	0	318.324	0.630	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc(-c2nn[nH]n2)cs1	ZINC000822802091	606462095	/nfs/dbraw/zinc/46/20/95/606462095.db2.gz	VISIOTUXFKHFRI-QMMMGPOBSA-N	-1	0	302.319	0.529	20	30		DCEDRM
N#Cc1ccc(Cn2cnc(-c3nnn[n-]3)n2)c(OC(F)F)c1	ZINC000822825650	606590008	/nfs/dbraw/zinc/59/00/08/606590008.db2.gz	KDAJVHMGFSRFKY-UHFFFAOYSA-N	-1	0	318.247	0.980	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1COC(=O)c1ccccc1	ZINC000822815706	606638135	/nfs/dbraw/zinc/63/81/35/606638135.db2.gz	XZCDFYQAKVIGJT-UHFFFAOYSA-N	-1	0	310.277	0.332	20	30		DCEDRM
C=CCN(Cc1ccccc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC000819745632	607206970	/nfs/dbraw/zinc/20/69/70/607206970.db2.gz	NASMBENKGSAAQE-UHFFFAOYSA-N	-1	0	324.348	0.673	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC000909386103	660498701	/nfs/dbraw/zinc/49/87/01/660498701.db2.gz	CUAMGMMBRCKWHO-GWCFXTLKSA-N	-1	0	309.293	0.812	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC000979325272	660718475	/nfs/dbraw/zinc/71/84/75/660718475.db2.gz	QSBGVJMFCCEGMI-XZUYRWCXSA-N	-1	0	319.365	0.020	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)[C@H]2C)c1[O-]	ZINC001020535782	657879372	/nfs/dbraw/zinc/87/93/72/657879372.db2.gz	RAQLHMHMTJFGFS-JEZHCXPESA-N	-1	0	305.338	0.303	20	30		DCEDRM
CC#CCN1CCO[C@@]2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)C1	ZINC000972341199	658591055	/nfs/dbraw/zinc/59/10/55/658591055.db2.gz	BIQSOQZKBQDBAF-INIZCTEOSA-N	-1	0	318.377	0.364	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000871996650	667864641	/nfs/dbraw/zinc/86/46/41/667864641.db2.gz	SETAMCBFHHXJEN-ZJUUUORDSA-N	-1	0	311.787	0.928	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)C2(Cl)CC2)CCOCC1	ZINC000893235301	659125527	/nfs/dbraw/zinc/12/55/27/659125527.db2.gz	RDMCWHYVJAAQSY-UHFFFAOYSA-N	-1	0	306.771	0.872	20	30		DCEDRM
CNC(=S)N(C)N=Cc1ccc(OCC(=O)[O-])c(OC)c1	ZINC000841648835	659454225	/nfs/dbraw/zinc/45/42/25/659454225.db2.gz	ZEBISEHTEBAXSX-UHFFFAOYSA-N	-1	0	311.363	0.929	20	30		DCEDRM
C#CCCCCC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000909432401	662067065	/nfs/dbraw/zinc/06/70/65/662067065.db2.gz	PCXBBAMQBDWXGU-CYBMUJFWSA-N	-1	0	308.378	0.962	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C3(C4CC4)CCC3)C2)c(=O)[n-]c1=O	ZINC000899550576	663152368	/nfs/dbraw/zinc/15/23/68/663152368.db2.gz	BINQWKSKPGRCLT-UHFFFAOYSA-N	-1	0	314.345	0.784	20	30		DCEDRM
CCOC[C@@H](C)CS(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899926411	663201072	/nfs/dbraw/zinc/20/10/72/663201072.db2.gz	LIBFTABNDCPDQJ-CHWSQXEVSA-N	-1	0	317.407	0.789	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000899938744	663202929	/nfs/dbraw/zinc/20/29/29/663202929.db2.gz	CJQSDTDYUACQDB-ITGUQSILSA-N	-1	0	306.343	0.650	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC000902748931	663431836	/nfs/dbraw/zinc/43/18/36/663431836.db2.gz	PCGRRIQUUHMAON-VTWZXRTESA-N	-1	0	311.334	0.301	20	30		DCEDRM
C=C(C)COCCNC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000905535940	663561860	/nfs/dbraw/zinc/56/18/60/663561860.db2.gz	FGRHJODRJLLGNR-RYUDHWBXSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=C(C)COCCNC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000905535939	663561899	/nfs/dbraw/zinc/56/18/99/663561899.db2.gz	FGRHJODRJLLGNR-NWDGAFQWSA-N	-1	0	300.355	0.901	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N1CC[C@H](C(=O)[O-])C(F)(F)C1	ZINC000905993551	663594398	/nfs/dbraw/zinc/59/43/98/663594398.db2.gz	GDOXCCNROFGWOR-MRVPVSSYSA-N	-1	0	310.322	0.908	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CCCC(C)(C)O1	ZINC000905996623	663594719	/nfs/dbraw/zinc/59/47/19/663594719.db2.gz	INIUHPLYVFHCMR-NSHDSACASA-N	-1	0	303.380	0.684	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cn(CC)c(C)n2)C1	ZINC000906006806	663595210	/nfs/dbraw/zinc/59/52/10/663595210.db2.gz	IQDICJBJAWFHRT-UHFFFAOYSA-N	-1	0	313.379	0.863	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1CCCO1	ZINC000906935373	663652752	/nfs/dbraw/zinc/65/27/52/663652752.db2.gz	RBGFSIQAUJJMCE-STQMWFEESA-N	-1	0	309.343	0.844	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000908636636	663764439	/nfs/dbraw/zinc/76/44/39/663764439.db2.gz	SBMPARPTTMETLS-CHWSQXEVSA-N	-1	0	320.345	0.981	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CCC[C@H]1OC)C(=O)[O-]	ZINC000908919405	663774565	/nfs/dbraw/zinc/77/45/65/663774565.db2.gz	DRGQJSQGNOHNCO-SDDRHHMPSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCCOC[C@@H]1CCCO1)C(=O)[O-]	ZINC000908905898	663774815	/nfs/dbraw/zinc/77/48/15/663774815.db2.gz	NDVAMXKKZXKXFE-NWDGAFQWSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CCO[C@H](CC)C1)C(=O)[O-]	ZINC000908999584	663778194	/nfs/dbraw/zinc/77/81/94/663778194.db2.gz	ZTHWRKZWKAZALE-TUAOUCFPSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C#CCSCCNC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000909051971	663779904	/nfs/dbraw/zinc/77/99/04/663779904.db2.gz	JTGITXXTYYLPPS-QWRGUYRKSA-N	-1	0	300.380	0.532	20	30		DCEDRM
C=CCCOCCNC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000909118011	663781716	/nfs/dbraw/zinc/78/17/16/663781716.db2.gz	UIDZKXOPNXBDQM-VXGBXAGGSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=C[C@H](O)C(=O)NC[C@H](Cc1ccc(OCC)cc1)C(=O)[O-]	ZINC000909171295	663785621	/nfs/dbraw/zinc/78/56/21/663785621.db2.gz	NTPCMXLXSSBJDK-JSGCOSHPSA-N	-1	0	307.346	0.992	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000909239178	663788660	/nfs/dbraw/zinc/78/86/60/663788660.db2.gz	SGHZPFIXVSDMKT-RVMXOQNASA-N	-1	0	312.366	0.851	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@@H](NC(C)=O)c1ccccc1)C(=O)[O-]	ZINC000910051939	663836934	/nfs/dbraw/zinc/83/69/34/663836934.db2.gz	JEOYXWRTFXUQME-UONOGXRCSA-N	-1	0	302.330	0.847	20	30		DCEDRM
C#CC[C@@H](NC(=O)CN1c2ccccc2OCCC1=O)C(=O)[O-]	ZINC000910051171	663836960	/nfs/dbraw/zinc/83/69/60/663836960.db2.gz	GEKPWFBMHAOCSJ-LLVKDONJSA-N	-1	0	316.313	0.395	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-]	ZINC000910050947	663841043	/nfs/dbraw/zinc/84/10/43/663841043.db2.gz	BFCFABZWUWWEET-YPMHNXCESA-N	-1	0	300.314	0.632	20	30		DCEDRM
C=CCN(CC(=O)[O-])c1cc(N2CCCC[C@H]2CO)ncn1	ZINC000910394777	663879345	/nfs/dbraw/zinc/87/93/45/663879345.db2.gz	BTMJEFCZXBAUHQ-LBPRGKRZSA-N	-1	0	306.366	0.905	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn(CCC(C)C)nn1	ZINC000172667746	664623899	/nfs/dbraw/zinc/62/38/99/664623899.db2.gz	OIATYEMRSVBZDG-NSHDSACASA-N	-1	0	307.354	0.409	20	30		DCEDRM
N#Cc1cccc(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC000730659396	664799723	/nfs/dbraw/zinc/79/97/23/664799723.db2.gz	VMPFRHKZYOTXMF-UHFFFAOYSA-N	-1	0	309.285	0.686	20	30		DCEDRM
N#Cc1ccccc1CSCCNC(=O)c1cc(=O)[nH][n-]1	ZINC000732258586	664910284	/nfs/dbraw/zinc/91/02/84/664910284.db2.gz	VMFFUNKSLQSRFM-UHFFFAOYSA-N	-1	0	302.359	0.784	20	30		DCEDRM
CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000916777509	665093563	/nfs/dbraw/zinc/09/35/63/665093563.db2.gz	IEMJZWVEASQWDY-JTQLQIEISA-N	-1	0	323.374	0.419	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)cc1	ZINC000916889178	665098985	/nfs/dbraw/zinc/09/89/85/665098985.db2.gz	KQSBDLUIXJOSHC-CYBMUJFWSA-N	-1	0	303.318	0.730	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(OC)cc(OC)c1	ZINC000916888887	665099069	/nfs/dbraw/zinc/09/90/69/665099069.db2.gz	BSACALGRWLHAII-ZDUSSCGKSA-N	-1	0	306.318	0.789	20	30		DCEDRM
N#Cc1nc(NC(=O)Cc2cnn(-c3ccccc3)n2)[n-]c1C#N	ZINC000917098638	665115265	/nfs/dbraw/zinc/11/52/65/665115265.db2.gz	LUTRWDSAEFAKDS-UHFFFAOYSA-N	-1	0	318.300	0.915	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2cccc3c2OCCO3)c1=O	ZINC000917533888	665136135	/nfs/dbraw/zinc/13/61/35/665136135.db2.gz	CACZZQHIASGHQR-UHFFFAOYSA-N	-1	0	304.331	0.889	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC000943186581	666258006	/nfs/dbraw/zinc/25/80/06/666258006.db2.gz	ALDXUKHJTLDDRQ-MWLCHTKSSA-N	-1	0	319.365	0.694	20	30		DCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccc(Br)cc1	ZINC000700612887	666748260	/nfs/dbraw/zinc/74/82/60/666748260.db2.gz	GTXYCWZENCMCKY-UHFFFAOYSA-N	-1	0	311.135	0.860	20	30		DCEDRM
C#C[C@H](CO)NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC000861883956	666992073	/nfs/dbraw/zinc/99/20/73/666992073.db2.gz	HSAKSSBOGVARRI-SSDOTTSWSA-N	-1	0	304.224	0.182	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(C(=O)NC)cc1OC	ZINC000861898381	666993170	/nfs/dbraw/zinc/99/31/70/666993170.db2.gz	FVOHXADGGXJLEO-VIFPVBQESA-N	-1	0	321.333	0.616	20	30		DCEDRM
O=C([O-])Cn1cc(C=NNC[C@@H]2COc3ccccc3O2)nn1	ZINC000863199554	667117056	/nfs/dbraw/zinc/11/70/56/667117056.db2.gz	DUDQHFMKQMNXDV-LLVKDONJSA-N	-1	0	317.305	0.126	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-]	ZINC000863409285	667140669	/nfs/dbraw/zinc/14/06/69/667140669.db2.gz	YHNCEFZSQTXYQS-JTQLQIEISA-N	-1	0	302.352	0.422	20	30		DCEDRM
CCC(=O)N1CCC[C@H](C(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC000119501564	667152576	/nfs/dbraw/zinc/15/25/76/667152576.db2.gz	GFDKEXVOXNXUIY-RYUDHWBXSA-N	-1	0	316.361	0.960	20	30		DCEDRM
CC1(OCC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCC1	ZINC000863934873	667195146	/nfs/dbraw/zinc/19/51/46/667195146.db2.gz	PEMIDNHVTNFXDV-UHFFFAOYSA-N	-1	0	318.333	0.163	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-]	ZINC000864185707	667222997	/nfs/dbraw/zinc/22/29/97/667222997.db2.gz	ABTNTGHCAFMHQE-LURJTMIESA-N	-1	0	316.663	0.767	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1OC	ZINC000864439505	667254534	/nfs/dbraw/zinc/25/45/34/667254534.db2.gz	WCBWXYYAGYQOIL-UHFFFAOYSA-N	-1	0	301.295	0.543	20	30		DCEDRM
O=C1NC(=O)C(=N[N-]c2nc(-c3ccccc3)cs2)C(=O)N1	ZINC000016977250	667542669	/nfs/dbraw/zinc/54/26/69/667542669.db2.gz	CDWPKMKBSZXFPV-UHFFFAOYSA-N	-1	0	315.314	0.944	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)OCC(=O)CCNC(=O)C(F)(F)F	ZINC000869529375	667665525	/nfs/dbraw/zinc/66/55/25/667665525.db2.gz	WURJSRNFKFPXPB-QMMMGPOBSA-N	-1	0	309.240	0.206	20	30		DCEDRM
N#C[C@@]12CN(C(=O)c3ccc(F)cc3[O-])C[C@@H]1CS(=O)(=O)C2	ZINC000885314585	667665835	/nfs/dbraw/zinc/66/58/35/667665835.db2.gz	AUQMELDKGGWRIY-OTYXRUKQSA-N	-1	0	324.333	0.542	20	30		DCEDRM
N#C[C@@]12CN(C(=O)c3c([O-])cccc3F)C[C@@H]1CS(=O)(=O)C2	ZINC000885315341	667666215	/nfs/dbraw/zinc/66/62/15/667666215.db2.gz	SUWPUPUVBBAFJO-OTYXRUKQSA-N	-1	0	324.333	0.542	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000838845751	667712963	/nfs/dbraw/zinc/71/29/63/667712963.db2.gz	JCUDISJNILUENF-UHFFFAOYSA-N	-1	0	310.331	0.489	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnn1CC1CCC1	ZINC000870138336	667713509	/nfs/dbraw/zinc/71/35/09/667713509.db2.gz	KASIKBWYZKNKNR-GFCCVEGCSA-N	-1	0	304.350	0.768	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)[C@@H](CCC)C(=O)OCC	ZINC000838893093	667718695	/nfs/dbraw/zinc/71/86/95/667718695.db2.gz	UFSHAYMECJQXIE-NSHDSACASA-N	-1	0	319.379	0.204	20	30		DCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCCCO1	ZINC000838972121	667722241	/nfs/dbraw/zinc/72/22/41/667722241.db2.gz	PORJJKVSSODGBN-CYBMUJFWSA-N	-1	0	309.347	0.717	20	30		DCEDRM
CCOC1CC2(C[C@@H]2C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000870269332	667726734	/nfs/dbraw/zinc/72/67/34/667726734.db2.gz	COGWNOHDUQTZMM-QWKFWESOSA-N	-1	0	300.380	0.941	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C(C)(C)C	ZINC000870774093	667758200	/nfs/dbraw/zinc/75/82/00/667758200.db2.gz	DYCKSIPWHNHYCH-UHFFFAOYSA-N	-1	0	315.395	0.725	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C)CC1	ZINC000870832291	667765024	/nfs/dbraw/zinc/76/50/24/667765024.db2.gz	BGXIBCVXQMBQSR-UHFFFAOYSA-N	-1	0	302.396	0.703	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c2ccccc2)CC1	ZINC000870830846	667765122	/nfs/dbraw/zinc/76/51/22/667765122.db2.gz	IYZOSDDQRKGCNF-NSHDSACASA-N	-1	0	322.386	0.970	20	30		DCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2cc(F)c([O-])c(F)c2)c1=O	ZINC000123460159	667787449	/nfs/dbraw/zinc/78/74/49/667787449.db2.gz	FIDSOLLDEZBCIV-NSCUHMNNSA-N	-1	0	308.240	0.954	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])sc1C	ZINC000871973128	667861019	/nfs/dbraw/zinc/86/10/19/667861019.db2.gz	LSXAMAYKXYTADG-VIFPVBQESA-N	-1	0	315.372	0.777	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)CCCF)cc1	ZINC000747135207	667895882	/nfs/dbraw/zinc/89/58/82/667895882.db2.gz	JJWALBGIDJSINU-UHFFFAOYSA-N	-1	0	300.311	0.743	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CC[C@@](COC)(C(=O)[O-])C2)nc1	ZINC000873063636	667969077	/nfs/dbraw/zinc/96/90/77/667969077.db2.gz	BHUHEHKTOCJFPI-MRXNPFEDSA-N	-1	0	317.345	0.372	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccnc(O[C@H]2CCOC2)c1	ZINC000755604169	668062554	/nfs/dbraw/zinc/06/25/54/668062554.db2.gz	OWPZRPUZXRUISI-STQMWFEESA-N	-1	0	315.329	0.850	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(OC(C)C)c1	ZINC000759835731	668241589	/nfs/dbraw/zinc/24/15/89/668241589.db2.gz	UPBQOOALUYYLPJ-GFCCVEGCSA-N	-1	0	305.334	0.954	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cncc(C(=O)OC)c1	ZINC000760198006	668262108	/nfs/dbraw/zinc/26/21/08/668262108.db2.gz	OJWDKGINOHAYPG-LBPRGKRZSA-N	-1	0	319.317	0.343	20	30		DCEDRM
Cn1nccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000760409929	668271128	/nfs/dbraw/zinc/27/11/28/668271128.db2.gz	XLQAJBKYLJZSAK-UHFFFAOYSA-N	-1	0	310.379	0.954	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CN1C(=O)COc2ccccc21	ZINC000762047477	668344998	/nfs/dbraw/zinc/34/49/98/668344998.db2.gz	HZFOPINFQCCHNM-UHFFFAOYSA-N	-1	0	304.302	0.511	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)[N-]OCc1ccccc1OC	ZINC000875602735	668347179	/nfs/dbraw/zinc/34/71/79/668347179.db2.gz	KRLKAMWWWKUGFY-ZDUSSCGKSA-N	-1	0	320.345	0.398	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@]23CCOC3)CCCC1	ZINC000764795173	668462787	/nfs/dbraw/zinc/46/27/87/668462787.db2.gz	LCTSQNANXJNYGG-RISCZKNCSA-N	-1	0	312.391	0.943	20	30		DCEDRM
C=C(Br)CNC(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC000927956835	668534586	/nfs/dbraw/zinc/53/45/86/668534586.db2.gz	RJSWVGXMTLQIPL-ZETCQYMHSA-N	-1	0	307.144	0.238	20	30		DCEDRM
C=CCN1C(=O)/C(=C/c2cn(CC(=O)[O-])nn2)SC1=S	ZINC000768849123	668624819	/nfs/dbraw/zinc/62/48/19/668624819.db2.gz	RWENFNNPTFUFIZ-YWEYNIOJSA-N	-1	0	310.360	0.750	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cncc(OC(C)C)c1	ZINC000770101561	668679351	/nfs/dbraw/zinc/67/93/51/668679351.db2.gz	XRKPIMIYQJYFQO-CYBMUJFWSA-N	-1	0	305.334	0.954	20	30		DCEDRM
CC(C)CN1C[C@H](C(=O)C(C#N)=C([O-])c2nccn2C)CC1=O	ZINC000770868738	668720821	/nfs/dbraw/zinc/72/08/21/668720821.db2.gz	OTFUUAJDWRPCIH-VXGBXAGGSA-N	-1	0	316.361	0.816	20	30		DCEDRM
Cc1c(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cnn1C	ZINC000771076111	668730023	/nfs/dbraw/zinc/73/00/23/668730023.db2.gz	DTKNBSSPNXAYNL-UHFFFAOYSA-N	-1	0	324.406	0.801	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)[C@H](C)CC	ZINC000772713749	668781870	/nfs/dbraw/zinc/78/18/70/668781870.db2.gz	WHNMPTDJISBRTO-ZJUUUORDSA-N	-1	0	320.436	0.566	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CCN2C	ZINC000772713793	668782029	/nfs/dbraw/zinc/78/20/29/668782029.db2.gz	XRSYGZBWUVXZKN-UHFFFAOYSA-N	-1	0	323.374	0.711	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1	ZINC000772711345	668782064	/nfs/dbraw/zinc/78/20/64/668782064.db2.gz	YDAJKTUXTHDZQD-UHFFFAOYSA-N	-1	0	311.363	0.224	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000772718245	668782274	/nfs/dbraw/zinc/78/22/74/668782274.db2.gz	ZSHCNKCWPNLOOH-NSHDSACASA-N	-1	0	308.359	0.672	20	30		DCEDRM
C#C[C@@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)[C@H]1CCCO1	ZINC000775347405	668861308	/nfs/dbraw/zinc/86/13/08/668861308.db2.gz	LXNFHBBQKRUHTH-TZMCWYRMSA-N	-1	0	322.386	0.969	20	30		DCEDRM
C#C[C@@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@H]1CCCO1	ZINC000775805160	668867976	/nfs/dbraw/zinc/86/79/76/668867976.db2.gz	DKCKEJIEEVLENM-DGCLKSJQSA-N	-1	0	319.386	0.779	20	30		DCEDRM
N#CCc1ccc(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1	ZINC000776107246	668870891	/nfs/dbraw/zinc/87/08/91/668870891.db2.gz	KEKVUFGRQXGGLO-UHFFFAOYSA-N	-1	0	323.312	0.881	20	30		DCEDRM
CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776114828	668870942	/nfs/dbraw/zinc/87/09/42/668870942.db2.gz	CPTBOZULFAMBLH-UHFFFAOYSA-N	-1	0	303.384	0.289	20	30		DCEDRM
Cc1nn(C)c(C)c1CCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122878	668871462	/nfs/dbraw/zinc/87/14/62/668871462.db2.gz	UAXKOFCZPUTMIM-UHFFFAOYSA-N	-1	0	312.395	0.719	20	30		DCEDRM
CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776137524	668871652	/nfs/dbraw/zinc/87/16/52/668871652.db2.gz	ADWNNZFSEQXJCQ-SNVBAGLBSA-N	-1	0	306.384	0.424	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC000777907774	668892733	/nfs/dbraw/zinc/89/27/33/668892733.db2.gz	QEXHOHIWPPGYBS-GFCCVEGCSA-N	-1	0	311.363	0.438	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2CN1C(C)=O	ZINC000778323935	668897530	/nfs/dbraw/zinc/89/75/30/668897530.db2.gz	FMPIHSJCJCCKSH-CQSZACIVSA-N	-1	0	322.386	0.592	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000778691874	668902695	/nfs/dbraw/zinc/90/26/95/668902695.db2.gz	GINXJNYQZKUQGW-FRRDWIJNSA-N	-1	0	318.439	0.752	20	30		DCEDRM
CCOc1cnc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cn1	ZINC000778735645	668903319	/nfs/dbraw/zinc/90/33/19/668903319.db2.gz	NYHCVDZCHGEWLJ-UHFFFAOYSA-N	-1	0	324.362	0.629	20	30		DCEDRM
Cc1cc(C(=O)[N-]N2CC(=O)NC2=O)nn1-c1cccc(C#N)c1	ZINC000780322929	668979303	/nfs/dbraw/zinc/97/93/03/668979303.db2.gz	XSDIJMIICVVFJJ-UHFFFAOYSA-N	-1	0	324.300	0.249	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)c1	ZINC000780336031	668979338	/nfs/dbraw/zinc/97/93/38/668979338.db2.gz	ALTKVPKYJGUQRY-MJBXVCDLSA-N	-1	0	320.370	0.929	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cc1	ZINC000780615112	669000441	/nfs/dbraw/zinc/00/04/41/669000441.db2.gz	FFUSTSXSFQXXBC-ZDUSSCGKSA-N	-1	0	324.358	0.562	20	30		DCEDRM
N#Cc1ccc(C2(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)CC2)cc1	ZINC000781474571	669046053	/nfs/dbraw/zinc/04/60/53/669046053.db2.gz	OARZIVLTQOPHTE-CYBMUJFWSA-N	-1	0	320.370	0.825	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC000788345218	669432585	/nfs/dbraw/zinc/43/25/85/669432585.db2.gz	TXBVUPZOFINGBC-LLVKDONJSA-N	-1	0	303.318	0.890	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC000788348283	669433323	/nfs/dbraw/zinc/43/33/23/669433323.db2.gz	GIOUXFAVBMCLJL-NSHDSACASA-N	-1	0	319.317	0.590	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)Cc1cc(OC)ns1)C(=O)OC	ZINC000882250195	669486801	/nfs/dbraw/zinc/48/68/01/669486801.db2.gz	BIFZISGLELRWRM-VIFPVBQESA-N	-1	0	318.376	0.136	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)[C@@H](CCC)C(=O)OCC)C(=O)OC	ZINC000882252553	669487445	/nfs/dbraw/zinc/48/74/45/669487445.db2.gz	RHCWZAJSARIGDQ-MNOVXSKESA-N	-1	0	319.379	0.203	20	30		DCEDRM
C#CC[C@H](CO)[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F	ZINC000882340588	669504423	/nfs/dbraw/zinc/50/44/23/669504423.db2.gz	AZNDWMODOWUGMX-ZCFIWIBFSA-N	-1	0	311.256	0.906	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc2oc(=O)[nH]c2c1	ZINC000805909982	669533839	/nfs/dbraw/zinc/53/38/39/669533839.db2.gz	JYEUAEBJOHHXRC-UHFFFAOYSA-N	-1	0	309.303	0.897	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccccc1NCC(=O)[N-]OCC	ZINC000882527899	669541978	/nfs/dbraw/zinc/54/19/78/669541978.db2.gz	KKHLOTZVSFTJGG-UHFFFAOYSA-N	-1	0	313.379	0.631	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(F)c(NC(C)=O)c1	ZINC000791106563	669593373	/nfs/dbraw/zinc/59/33/73/669593373.db2.gz	HXPRATGUNJNPRN-UHFFFAOYSA-N	-1	0	312.322	0.867	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1csc(-c2cnccn2)n1	ZINC000791111789	669594611	/nfs/dbraw/zinc/59/46/11/669594611.db2.gz	ZMBWOMYIDFRPDS-UHFFFAOYSA-N	-1	0	322.371	0.683	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cncc(OC)n1	ZINC000791769350	669628756	/nfs/dbraw/zinc/62/87/56/669628756.db2.gz	MPMNRFXAYJIESA-JTQLQIEISA-N	-1	0	306.322	0.350	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)c1cnn(C)n1	ZINC000793149977	669703955	/nfs/dbraw/zinc/70/39/55/669703955.db2.gz	VHFMEBLSVBLFLR-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CCOCC1	ZINC000793204667	669707688	/nfs/dbraw/zinc/70/76/88/669707688.db2.gz	UCMNEXSEMLWCBB-SNVBAGLBSA-N	-1	0	300.380	0.799	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc2n[nH]nc21	ZINC000800209300	669838360	/nfs/dbraw/zinc/83/83/60/669838360.db2.gz	YMXFXNMZRMIMHF-QMMMGPOBSA-N	-1	0	317.305	0.515	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cn(C(C)C)nn1	ZINC000796743676	669941346	/nfs/dbraw/zinc/94/13/46/669941346.db2.gz	YTZDYNOERODSSE-LLVKDONJSA-N	-1	0	307.354	0.724	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)NC)cc1	ZINC000797328981	669965625	/nfs/dbraw/zinc/96/56/25/669965625.db2.gz	INVNPHVFDWIZHU-UHFFFAOYSA-N	-1	0	322.386	0.796	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cncc(-n2ccnn2)c1	ZINC000802115256	670150852	/nfs/dbraw/zinc/15/08/52/670150852.db2.gz	VPZLBAAPGDEBRN-GFCCVEGCSA-N	-1	0	321.300	0.601	20	30		DCEDRM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000802164209	670155125	/nfs/dbraw/zinc/15/51/25/670155125.db2.gz	WEGIHCBDOITMID-ZJUUUORDSA-N	-1	0	324.358	0.815	20	30		DCEDRM
Cn1cc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)c(=O)n(C)c1=O	ZINC000806558466	670321288	/nfs/dbraw/zinc/32/12/88/670321288.db2.gz	DFQVEDCRHFYEMQ-SREVYHEPSA-N	-1	0	314.297	0.678	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-]	ZINC000806636555	670324299	/nfs/dbraw/zinc/32/42/99/670324299.db2.gz	QCNGCPXASTZFBF-SECBINFHSA-N	-1	0	307.368	0.524	20	30		DCEDRM
C#CCC(CC#C)C(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000807384500	670359630	/nfs/dbraw/zinc/35/96/30/670359630.db2.gz	ADIPJYRHTYKPMC-UHFFFAOYSA-N	-1	0	320.370	0.902	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cc1	ZINC000949597059	670380410	/nfs/dbraw/zinc/38/04/10/670380410.db2.gz	LKAAPUVLIMXVGX-UHFFFAOYSA-N	-1	0	311.345	0.450	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)C(=O)Cc1ccc(OCC#N)cc1	ZINC000808099721	670389938	/nfs/dbraw/zinc/38/99/38/670389938.db2.gz	WTYQNGJVCRBOAL-UHFFFAOYSA-N	-1	0	302.290	0.879	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1cn(C)nc1C)OCC	ZINC000809030894	670438182	/nfs/dbraw/zinc/43/81/82/670438182.db2.gz	NXWQGBAOFXZAJW-LLVKDONJSA-N	-1	0	315.395	0.905	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000809036128	670438705	/nfs/dbraw/zinc/43/87/05/670438705.db2.gz	HFOMUBFWBDAELJ-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)CCCCC(N)=O	ZINC000810517773	670488304	/nfs/dbraw/zinc/48/83/04/670488304.db2.gz	SNSLXXRPACTXAJ-UHFFFAOYSA-N	-1	0	323.374	0.550	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cc2ccccc2[nH]c1=O	ZINC000810772858	670496549	/nfs/dbraw/zinc/49/65/49/670496549.db2.gz	HUYUTMFJXLWFGQ-UHFFFAOYSA-N	-1	0	318.354	0.952	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CNC(=O)Nc1ccccc1	ZINC000810772410	670496681	/nfs/dbraw/zinc/49/66/81/670496681.db2.gz	ZPDZMFFZMZHWBQ-UHFFFAOYSA-N	-1	0	309.347	0.277	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1OC	ZINC000810775470	670497142	/nfs/dbraw/zinc/49/71/42/670497142.db2.gz	HLTOBIBTHPOUJF-UHFFFAOYSA-N	-1	0	312.303	0.686	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](C)NC(=O)c1ccccc1	ZINC000810777987	670497265	/nfs/dbraw/zinc/49/72/65/670497265.db2.gz	TWTMWDCJFKSNRW-GFCCVEGCSA-N	-1	0	322.386	0.664	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cc2ccccc2[nH]c1=O	ZINC000810780152	670497399	/nfs/dbraw/zinc/49/73/99/670497399.db2.gz	QUEKTUAROWRVHQ-UHFFFAOYSA-N	-1	0	318.354	0.952	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)c2ccccc12	ZINC000810780910	670497732	/nfs/dbraw/zinc/49/77/32/670497732.db2.gz	WSWXEFQBRNELRG-UHFFFAOYSA-N	-1	0	318.354	0.621	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CN2CCSC2=O)CC1	ZINC000810984776	670502169	/nfs/dbraw/zinc/50/21/69/670502169.db2.gz	NFGNJSCKQONEQL-UHFFFAOYSA-N	-1	0	304.393	0.710	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCCNC(=O)C2CC2)CC1	ZINC000810986148	670502232	/nfs/dbraw/zinc/50/22/32/670502232.db2.gz	ZLENUBDOSBEBGN-UHFFFAOYSA-N	-1	0	314.407	0.848	20	30		DCEDRM
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847685242	670590808	/nfs/dbraw/zinc/59/08/08/670590808.db2.gz	FJHRTGYGESOVAS-UWVGGRQHSA-N	-1	0	304.368	0.714	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847848098	670606269	/nfs/dbraw/zinc/60/62/69/670606269.db2.gz	HMDUSZLTAGLJRU-UHFFFAOYSA-N	-1	0	307.335	0.188	20	30		DCEDRM
CO[C@](C)(C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C1CC1	ZINC000813085981	670609718	/nfs/dbraw/zinc/60/97/18/670609718.db2.gz	JFNJGSUEPXFADH-LBPRGKRZSA-N	-1	0	300.380	0.941	20	30		DCEDRM
CCn1c(=O)c2ccc(C(=O)N[C@H](C#N)CO)cc2[n-]c1=S	ZINC000854872397	670648133	/nfs/dbraw/zinc/64/81/33/670648133.db2.gz	JUGHMGPJOBUUDK-SECBINFHSA-N	-1	0	318.358	0.319	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813982745	670667483	/nfs/dbraw/zinc/66/74/83/670667483.db2.gz	QVPMDCCVFMFXIJ-CHWSQXEVSA-N	-1	0	321.358	0.739	20	30		DCEDRM
Cc1ccc(NC(=S)NN=C2C(=O)[N-]C(=O)NC2=O)c(C)c1	ZINC000814214203	670680526	/nfs/dbraw/zinc/68/05/26/670680526.db2.gz	WOSQBNKKMVDNQM-UHFFFAOYSA-N	-1	0	319.346	0.312	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cc2c(cc1OC(F)F)OCO2	ZINC000814231071	670681809	/nfs/dbraw/zinc/68/18/09/670681809.db2.gz	KMKVWFRZEXVMED-UHFFFAOYSA-N	-1	0	314.204	0.902	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cnn(Cc2ccc(F)cc2)c1	ZINC000814233468	670682052	/nfs/dbraw/zinc/68/20/52/670682052.db2.gz	RBSMMTKOWLQVKR-UHFFFAOYSA-N	-1	0	302.269	0.955	20	30		DCEDRM
O=C1[N-]C(=O)C(=NOCc2ccc(C(F)(F)F)cc2)C(=O)N1	ZINC000814224102	670682146	/nfs/dbraw/zinc/68/21/46/670682146.db2.gz	BKILOTGZWVDMQB-UHFFFAOYSA-N	-1	0	315.207	0.944	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C1CC[C@H](CC(=O)[O-])[C@@H]1C	ZINC000814845552	670705710	/nfs/dbraw/zinc/70/57/10/670705710.db2.gz	ZPXDCEPVLGPLNQ-JGVFFNPUSA-N	-1	0	300.384	0.073	20	30		DCEDRM
C#CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1CCCC1	ZINC000848611213	670705686	/nfs/dbraw/zinc/70/56/86/670705686.db2.gz	ZLIGVPNBQMIMTF-ZDUSSCGKSA-N	-1	0	308.378	0.864	20	30		DCEDRM
CC(C)[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)C(=O)[O-]	ZINC000848637297	670708101	/nfs/dbraw/zinc/70/81/01/670708101.db2.gz	FCIJAAXTMLMUQI-JTQLQIEISA-N	-1	0	311.363	0.974	20	30		DCEDRM
O=C([O-])Cn1cc(C(=O)/C=C\c2cc3n(n2)CCCC3)nn1	ZINC000848642927	670708199	/nfs/dbraw/zinc/70/81/99/670708199.db2.gz	MNRITPAVUOFMMY-PLNGDYQASA-N	-1	0	301.306	0.792	20	30		DCEDRM
C#CCO[N-]C(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1	ZINC000855606885	670734616	/nfs/dbraw/zinc/73/46/16/670734616.db2.gz	QNZGKOOUWYVLNB-UHFFFAOYSA-N	-1	0	323.370	0.691	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000815896125	670770312	/nfs/dbraw/zinc/77/03/12/670770312.db2.gz	SZALPCLGMFULMO-UHFFFAOYSA-N	-1	0	302.315	0.775	20	30		DCEDRM
Cn1cc(CC(=O)C(C#N)=C([O-])c2nccn2C)c(Cl)n1	ZINC000815987676	670777627	/nfs/dbraw/zinc/77/76/27/670777627.db2.gz	LUHIBBFEUGMCKN-VIFPVBQESA-N	-1	0	305.725	0.941	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC	ZINC000816023844	670780760	/nfs/dbraw/zinc/78/07/60/670780760.db2.gz	KTPMPPRMMFFXIT-YUMQZZPRSA-N	-1	0	313.322	0.841	20	30		DCEDRM
C#CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2[O-])CC1	ZINC000849372427	670782970	/nfs/dbraw/zinc/78/29/70/670782970.db2.gz	PLYRHTYUYDOKSG-UHFFFAOYSA-N	-1	0	322.386	0.542	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC000816203658	670791712	/nfs/dbraw/zinc/79/17/12/670791712.db2.gz	XHOINGJWPHYROZ-UHFFFAOYSA-N	-1	0	315.351	0.063	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O	ZINC000816672117	670834897	/nfs/dbraw/zinc/83/48/97/670834897.db2.gz	QBAFEHZDJFZDGQ-VIFPVBQESA-N	-1	0	303.343	0.738	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1coc(-c2cccnc2)n1	ZINC000850757550	670938719	/nfs/dbraw/zinc/93/87/19/670938719.db2.gz	MAOHDMWTDVLLOQ-NSHDSACASA-N	-1	0	314.301	0.822	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])[C@@H]1CCCO1	ZINC000850786746	670939989	/nfs/dbraw/zinc/93/99/89/670939989.db2.gz	PHMDKGZRMTYLPJ-ONGXEEELSA-N	-1	0	317.301	0.015	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)c1	ZINC000850800132	670941277	/nfs/dbraw/zinc/94/12/77/670941277.db2.gz	WDXITNZJADYMKT-VIFPVBQESA-N	-1	0	310.331	0.828	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000850863404	670950756	/nfs/dbraw/zinc/95/07/56/670950756.db2.gz	SDZXXTVMLYNVMM-MRVPVSSYSA-N	-1	0	316.301	0.466	20	30		DCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)c(OC)c1	ZINC000850886980	670952421	/nfs/dbraw/zinc/95/24/21/670952421.db2.gz	MTNBGDYTMBWCLL-UHFFFAOYSA-N	-1	0	311.363	0.883	20	30		DCEDRM
COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)CCCC#N)CC1	ZINC000850926847	670955375	/nfs/dbraw/zinc/95/53/75/670955375.db2.gz	UYTLGADFKFKMRI-UHFFFAOYSA-N	-1	0	317.367	0.215	20	30		DCEDRM
CC(=O)N[C@@H](CCC(C)C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000851016160	670961308	/nfs/dbraw/zinc/96/13/08/670961308.db2.gz	NIXAUNLBTCNTEG-NSHDSACASA-N	-1	0	303.384	0.287	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1COC[C@@H]1c1ccccc1	ZINC000851015266	670961399	/nfs/dbraw/zinc/96/13/99/670961399.db2.gz	BWMUTQOUMLJNIC-OLZOCXBDSA-N	-1	0	308.359	0.776	20	30		DCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)[C@H]1CCCO1	ZINC000851040382	670963682	/nfs/dbraw/zinc/96/36/82/670963682.db2.gz	IXJLTRAJOJRSMV-ZWNOBZJWSA-N	-1	0	323.374	0.963	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1OC	ZINC000851505616	670995079	/nfs/dbraw/zinc/99/50/79/670995079.db2.gz	JHQZVEOOXYZVAZ-UHFFFAOYSA-N	-1	0	315.322	0.679	20	30		DCEDRM
N#Cc1cn(C2CN(c3nc(Cl)cs3)C2)c(=O)[n-]c1=O	ZINC000858680883	671030780	/nfs/dbraw/zinc/03/07/80/671030780.db2.gz	AYKRLASVHMTHKN-UHFFFAOYSA-N	-1	0	309.738	0.992	20	30		DCEDRM
C=CCCn1cc(C([O-])=C(C#N)C(=O)NCCCOC)nn1	ZINC000819942153	671148695	/nfs/dbraw/zinc/14/86/95/671148695.db2.gz	XVUMZBOKMRLDBC-NSHDSACASA-N	-1	0	305.338	0.329	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)[C@H](C#N)C(=O)NC2CC2)c1	ZINC000819943316	671148810	/nfs/dbraw/zinc/14/88/10/671148810.db2.gz	CWSDKGBBCJJNPC-WHEQGISXSA-N	-1	0	320.370	0.790	20	30		DCEDRM
COc1ccc(C[C@H](C)C(=O)N[C@@H]2CCN(O)C2=O)cc1OC	ZINC000820149734	671171994	/nfs/dbraw/zinc/17/19/94/671171994.db2.gz	RMTZFSIEEFJHHL-CMPLNLGQSA-N	-1	0	322.361	0.989	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cc2c(cn1)OCCO2	ZINC000820509357	671207034	/nfs/dbraw/zinc/20/70/34/671207034.db2.gz	KDAHMCKXRGCDCD-UHFFFAOYSA-N	-1	0	311.319	0.216	20	30		DCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000853206762	671218819	/nfs/dbraw/zinc/21/88/19/671218819.db2.gz	RHLVKEMEXBTRRW-GFCCVEGCSA-N	-1	0	305.396	0.862	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)CCCCC1	ZINC000860655929	671227763	/nfs/dbraw/zinc/22/77/63/671227763.db2.gz	ARRKLARIPDMFSP-VIFPVBQESA-N	-1	0	315.351	0.015	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@]1(C)COc2ccccc2O1	ZINC000860721728	671233491	/nfs/dbraw/zinc/23/34/91/671233491.db2.gz	KUSDQPOEYJUYHR-AWEZNQCLSA-N	-1	0	309.343	0.686	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1COc2cc(F)ccc2C1	ZINC000860722000	671233705	/nfs/dbraw/zinc/23/37/05/671233705.db2.gz	PYKSDNGKZSZMKM-NSHDSACASA-N	-1	0	311.334	0.846	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C/c2ccc(O)c(F)c2)c(=O)n(C)c1=O	ZINC000821012159	671245568	/nfs/dbraw/zinc/24/55/68/671245568.db2.gz	DYHKMQFBERKWLL-GQCTYLIASA-N	-1	0	320.276	0.530	20	30		DCEDRM
CC(=O)Nc1ccc(F)c(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000821583789	671284294	/nfs/dbraw/zinc/28/42/94/671284294.db2.gz	HUTVRWCLEJEHJW-UHFFFAOYSA-N	-1	0	313.310	0.757	20	30		DCEDRM
CN1C(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000821622390	671286326	/nfs/dbraw/zinc/28/63/26/671286326.db2.gz	BKHDNAFEHAMKAG-GFCCVEGCSA-N	-1	0	321.358	0.125	20	30		DCEDRM
C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)C1	ZINC000824874036	671442699	/nfs/dbraw/zinc/44/26/99/671442699.db2.gz	AZEYBGQZRUTCPA-NXEZZACHSA-N	-1	0	314.353	0.439	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)N1CCCCCC1	ZINC000826383355	671487101	/nfs/dbraw/zinc/48/71/01/671487101.db2.gz	WWBWWEYYSCYSRT-UHFFFAOYSA-N	-1	0	300.326	0.337	20	30		DCEDRM
COc1cc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)ccc1C#N	ZINC000832125543	671701942	/nfs/dbraw/zinc/70/19/42/671701942.db2.gz	DOPZGILGFOVCAX-SECBINFHSA-N	-1	0	300.322	0.956	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000833366124	671746944	/nfs/dbraw/zinc/74/69/44/671746944.db2.gz	HDPRCGUMUDSWBL-UHFFFAOYSA-N	-1	0	301.295	0.452	20	30		DCEDRM
Cn1[n-]c(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1=O	ZINC000834732813	671777871	/nfs/dbraw/zinc/77/78/71/671777871.db2.gz	PLSUWTXLTUMOIU-UHFFFAOYSA-N	-1	0	312.333	0.355	20	30		DCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC	ZINC000835141908	671788502	/nfs/dbraw/zinc/78/85/02/671788502.db2.gz	NCFXRZYNRQSWQS-SNVBAGLBSA-N	-1	0	318.395	0.587	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1OC	ZINC000835302894	671793043	/nfs/dbraw/zinc/79/30/43/671793043.db2.gz	NEEBBBPHOWKPII-NSHDSACASA-N	-1	0	311.359	0.680	20	30		DCEDRM
Cc1cc(C(F)(F)F)nn1CC(=O)[N-]S(=O)(=O)CCC#N	ZINC000835409172	671795586	/nfs/dbraw/zinc/79/55/86/671795586.db2.gz	DGJNGWNMDVPMBW-UHFFFAOYSA-N	-1	0	324.284	0.570	20	30		DCEDRM
CCOC(=O)CON=C(C(=O)[N-]OC1CCC1)c1cc[nH]n1	ZINC000836800268	671832599	/nfs/dbraw/zinc/83/25/99/671832599.db2.gz	UZDGZJKMGPKRAO-UHFFFAOYSA-N	-1	0	310.310	0.294	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COCC(=O)OC(C)(C)C	ZINC000842740000	672033124	/nfs/dbraw/zinc/03/31/24/672033124.db2.gz	KKEWSPTWFSJXQJ-SNVBAGLBSA-N	-1	0	321.333	0.670	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCc3ncncc3C2)CC1	ZINC000842754019	672034197	/nfs/dbraw/zinc/03/41/97/672034197.db2.gz	KCKHWPWDIWLYND-SNVBAGLBSA-N	-1	0	320.374	0.331	20	30		DCEDRM
CC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C(=O)[O-]	ZINC000843048185	672056044	/nfs/dbraw/zinc/05/60/44/672056044.db2.gz	SDJWIBMOONVFMP-VIFPVBQESA-N	-1	0	323.280	0.646	20	30		DCEDRM
CCN(CC1CC1)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844813804	672204635	/nfs/dbraw/zinc/20/46/35/672204635.db2.gz	BAAKTINRCZCSNR-UHFFFAOYSA-N	-1	0	314.407	0.763	20	30		DCEDRM
CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000845435991	672247963	/nfs/dbraw/zinc/24/79/63/672247963.db2.gz	YSCKKMAVWRAKQU-UHFFFAOYSA-N	-1	0	323.374	0.525	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc([O-])cc(F)c1)C(=O)OC	ZINC000867389018	672266266	/nfs/dbraw/zinc/26/62/66/672266266.db2.gz	XJTWAHJQZHKMOB-NSHDSACASA-N	-1	0	301.295	0.375	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(N2CCC2=O)c1	ZINC000846146145	672297410	/nfs/dbraw/zinc/29/74/10/672297410.db2.gz	FWXHVVBZPQLUCC-UHFFFAOYSA-N	-1	0	303.318	0.986	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cn(C)nc1C(F)(F)F	ZINC000846153823	672297743	/nfs/dbraw/zinc/29/77/43/672297743.db2.gz	LHGZKPSSTXBRAF-LURJTMIESA-N	-1	0	306.244	1.000	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccccc1CC(=O)OC	ZINC000846154984	672297915	/nfs/dbraw/zinc/29/79/15/672297915.db2.gz	RJKXUTTWSJNIHB-SNVBAGLBSA-N	-1	0	306.318	0.963	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cn(C)nc1C(F)(F)F	ZINC000846153824	672297956	/nfs/dbraw/zinc/29/79/56/672297956.db2.gz	LHGZKPSSTXBRAF-ZCFIWIBFSA-N	-1	0	306.244	1.000	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc2c1CCNC2=O	ZINC000846156452	672298148	/nfs/dbraw/zinc/29/81/48/672298148.db2.gz	LSTJZJMQBCSNMT-VIFPVBQESA-N	-1	0	303.318	0.533	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1nn(CCCOC)cc1C	ZINC000846157534	672298186	/nfs/dbraw/zinc/29/81/86/672298186.db2.gz	VJRLOPVKTUTIMA-LLVKDONJSA-N	-1	0	310.354	0.789	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC000846490875	672317751	/nfs/dbraw/zinc/31/77/51/672317751.db2.gz	MOPALLDURYPJQF-ZDUSSCGKSA-N	-1	0	300.318	0.424	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1	ZINC000846546071	672326854	/nfs/dbraw/zinc/32/68/54/672326854.db2.gz	LBYMNAUPJZZOCO-JQWIXIFHSA-N	-1	0	320.349	0.799	20	30		DCEDRM
CC[C@H](C(=O)[O-])N(C)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000846715027	672340078	/nfs/dbraw/zinc/34/00/78/672340078.db2.gz	LIFPYXBEXLGIEX-TWLKNAOBSA-N	-1	0	309.322	0.225	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCC(=O)c2ccccn2)CC1	ZINC000793196831	685344025	/nfs/dbraw/zinc/34/40/25/685344025.db2.gz	XEJSUABEPXCSBC-UHFFFAOYSA-N	-1	0	321.358	0.794	20	30		DCEDRM
N#Cc1cc(F)ccc1N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000879590105	685399094	/nfs/dbraw/zinc/39/90/94/685399094.db2.gz	QJRYCPHAINMZPW-UHFFFAOYSA-N	-1	0	302.313	0.843	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000133248919	685120446	/nfs/dbraw/zinc/12/04/46/685120446.db2.gz	DRWLXCFEVOQIBJ-SNVBAGLBSA-N	-1	0	313.273	0.849	20	30		DCEDRM
CCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)C1CN(CC#N)C1	ZINC000957132724	686972930	/nfs/dbraw/zinc/97/29/30/686972930.db2.gz	XWEHXTNWQMMGDM-UHFFFAOYSA-N	-1	0	301.306	0.598	20	30		DCEDRM
C=C(Cl)CN1CC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O	ZINC001038581806	694121550	/nfs/dbraw/zinc/12/15/50/694121550.db2.gz	AQMDAVHRGGFNPG-SECBINFHSA-N	-1	0	312.757	0.043	20	30		DCEDRM
C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000967253241	689969160	/nfs/dbraw/zinc/96/91/60/689969160.db2.gz	GBANETGPLFHJEM-NXEZZACHSA-N	-1	0	307.354	0.299	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)C#CC(C)C)c1[O-]	ZINC001076407866	695020184	/nfs/dbraw/zinc/02/01/84/695020184.db2.gz	AOTGYDZUOWWWMK-JTQLQIEISA-N	-1	0	306.366	0.708	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)C#CC2CC2)c1[O-]	ZINC001076423543	695021434	/nfs/dbraw/zinc/02/14/34/695021434.db2.gz	NRRQGAMLPBXLON-VIFPVBQESA-N	-1	0	304.350	0.462	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC001648897905	1157432676	/nfs/dbraw/zinc/43/26/76/1157432676.db2.gz	PFJJULSQNLMCIH-UHFFFAOYSA-N	-1	0	309.347	0.460	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001687211378	1157508001	/nfs/dbraw/zinc/50/80/01/1157508001.db2.gz	FXDXMYJPLMIGTL-LBPRGKRZSA-N	-1	0	318.377	0.756	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC1(NCC#N)CC1	ZINC001670903284	1158622994	/nfs/dbraw/zinc/62/29/94/1158622994.db2.gz	DISBWWCFMGJECG-UHFFFAOYSA-N	-1	0	306.288	0.205	20	30		DCEDRM
C#CCCN1CCC[C@H]([N-]S(=O)(=O)CC(F)(F)F)C1=O	ZINC001253235319	1159141207	/nfs/dbraw/zinc/14/12/07/1159141207.db2.gz	QNUQVCDBFUOPPQ-VIFPVBQESA-N	-1	0	312.313	0.482	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)CCC(F)(F)F)C(=O)[O-]	ZINC001609452216	1159817686	/nfs/dbraw/zinc/81/76/86/1159817686.db2.gz	ACJYGZLVVAVUHQ-SSDOTTSWSA-N	-1	0	305.274	0.514	20	30		DCEDRM
C#CCOCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1CC	ZINC001566012408	1159941503	/nfs/dbraw/zinc/94/15/03/1159941503.db2.gz	LFYBPONBZUELNY-NWDGAFQWSA-N	-1	0	321.381	0.019	20	30		DCEDRM
CC[C@H](C#N)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001567315145	1160307450	/nfs/dbraw/zinc/30/74/50/1160307450.db2.gz	KEQUJFMPZKOHSD-SNVBAGLBSA-N	-1	0	300.322	0.604	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cnc(C(=O)OC)cn1)C(=O)[O-]	ZINC001573308278	1161528836	/nfs/dbraw/zinc/52/88/36/1161528836.db2.gz	RMNIAOSWOSDYMV-SSDOTTSWSA-N	-1	0	313.697	0.589	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	ZINC001573769075	1163548191	/nfs/dbraw/zinc/54/81/91/1163548191.db2.gz	BKTYRWWDOCEJII-KXNHARMFSA-N	-1	0	315.395	0.650	20	30		DCEDRM
COC(=O)c1ccc(N2CCO[C@](C)(C(=O)[O-])C2)c(C#N)n1	ZINC001573940779	1163593338	/nfs/dbraw/zinc/59/33/38/1163593338.db2.gz	PXRQSYSJFWZPCW-AWEZNQCLSA-N	-1	0	305.290	0.420	20	30		DCEDRM
N#C[C@@]1(C(=O)Nc2cccn(CC(=O)[O-])c2=O)CCCOC1	ZINC001574242686	1163672131	/nfs/dbraw/zinc/67/21/31/1163672131.db2.gz	YKDCBUGURGSNCE-AWEZNQCLSA-N	-1	0	305.290	0.192	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)co1	ZINC001574240823	1163672396	/nfs/dbraw/zinc/67/23/96/1163672396.db2.gz	BTJBFBSCOOXNFE-RYUDHWBXSA-N	-1	0	301.258	0.463	20	30		DCEDRM
N#Cc1ccc(CC(=O)NC[C@@]2(C(=O)[O-])CCCOC2)cn1	ZINC001574245342	1163673777	/nfs/dbraw/zinc/67/37/77/1163673777.db2.gz	MQHBLQJPWMBGBU-HNNXBMFYSA-N	-1	0	303.318	0.493	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N(CC(N)=O)CC(=O)[O-])c1	ZINC001574250362	1163676280	/nfs/dbraw/zinc/67/62/80/1163676280.db2.gz	ZXKMCAOUELIWFK-NWDGAFQWSA-N	-1	0	301.302	0.060	20	30		DCEDRM
C[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)C(=O)NC(C)(C)C	ZINC001575443738	1164017717	/nfs/dbraw/zinc/01/77/17/1164017717.db2.gz	IUWFVBJZBOOVNT-SSDOTTSWSA-N	-1	0	315.341	0.243	20	30		DCEDRM
CC1(C)OC[C@H]2C[C@]21C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001575751971	1164134905	/nfs/dbraw/zinc/13/49/05/1164134905.db2.gz	KQPKCNBUXRPSBH-CAAJLBCPSA-N	-1	0	314.309	0.215	20	30		DCEDRM
CCOC(=O)C[C@@H](C)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001578245558	1164962867	/nfs/dbraw/zinc/96/28/67/1164962867.db2.gz	WSCZIVJPWYVEPA-MRVPVSSYSA-N	-1	0	316.325	0.530	20	30		DCEDRM
CN(C[C@@H]1CCCC[C@H]1O)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579065426	1165198956	/nfs/dbraw/zinc/19/89/56/1165198956.db2.gz	WPZJKCUXEORQFS-GXSJLCMTSA-N	-1	0	314.353	0.516	20	30		DCEDRM
CN(CCC1CCOCC1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579105701	1165210356	/nfs/dbraw/zinc/21/03/56/1165210356.db2.gz	VWYTXWMUCAQDLI-UHFFFAOYSA-N	-1	0	314.353	0.781	20	30		DCEDRM
CN(CCc1ccccn1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579232173	1165245431	/nfs/dbraw/zinc/24/54/31/1165245431.db2.gz	UUCPNJMRGSITRB-UHFFFAOYSA-N	-1	0	307.321	0.602	20	30		DCEDRM
COc1cccc(CCNc2cnc(C#N)c(-c3nnn[n-]3)n2)n1	ZINC001580066627	1165490993	/nfs/dbraw/zinc/49/09/93/1165490993.db2.gz	YOGNLTDTBMOKJK-UHFFFAOYSA-N	-1	0	323.320	0.587	20	30		DCEDRM
Cc1oc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cc1CO	ZINC001581729433	1165862097	/nfs/dbraw/zinc/86/20/97/1165862097.db2.gz	ZSCCEQVHSREPKQ-UHFFFAOYSA-N	-1	0	314.265	0.108	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cccc(F)c2C#N)[n-]c1-c1nn[nH]n1	ZINC001581860585	1165890963	/nfs/dbraw/zinc/89/09/63/1165890963.db2.gz	IHDRWQDPJHXQKP-UHFFFAOYSA-N	-1	0	323.251	0.725	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2Cc3cccnc3C2)[n-]c1-c1nn[nH]n1	ZINC001581860087	1165891097	/nfs/dbraw/zinc/89/10/97/1165891097.db2.gz	KGBVTGHLLQTWJK-MRVPVSSYSA-N	-1	0	321.304	0.210	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NS(=O)(=O)c2cccnc2-c2nnn[n-]2)C1	ZINC001581859944	1165893231	/nfs/dbraw/zinc/89/32/31/1165893231.db2.gz	DMRNNQVZZFEHFE-DTWKUNHWSA-N	-1	0	319.350	0.232	20	30		DCEDRM
N#Cc1ncc(N[C@@H](c2ncccn2)C2CC2)nc1-c1nnn[n-]1	ZINC001581883331	1165901161	/nfs/dbraw/zinc/90/11/61/1165901161.db2.gz	WNTQISHIUDVFDB-LLVKDONJSA-N	-1	0	320.320	0.882	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001584632392	1166345305	/nfs/dbraw/zinc/34/53/05/1166345305.db2.gz	JGQPBOSFOMJYSC-ZUZCIYMTSA-N	-1	0	322.365	0.082	20	30		DCEDRM
C#Cc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001585296186	1166415351	/nfs/dbraw/zinc/41/53/51/1166415351.db2.gz	QQEMANOGRQTXFK-UHFFFAOYSA-N	-1	0	308.297	0.232	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCN1CCCC1=O	ZINC001587582235	1166508863	/nfs/dbraw/zinc/50/88/63/1166508863.db2.gz	RYTBUXXPGRBPQI-UHFFFAOYSA-N	-1	0	302.334	0.710	20	30		DCEDRM
C#CCOCCC(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1	ZINC001588362621	1166547517	/nfs/dbraw/zinc/54/75/17/1166547517.db2.gz	MBCQBTBMVWEBLG-UHFFFAOYSA-N	-1	0	312.742	0.955	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-]	ZINC001588413959	1166550920	/nfs/dbraw/zinc/55/09/20/1166550920.db2.gz	GDGVYBCYZFVVNA-NSHDSACASA-N	-1	0	300.270	0.119	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc2c(c1)nc(CO)n2C)C(=O)[O-]	ZINC001588414255	1166552087	/nfs/dbraw/zinc/55/20/87/1166552087.db2.gz	JZGCXJSNZLGMSS-JTQLQIEISA-N	-1	0	301.302	0.272	20	30		DCEDRM
C=C(C)C[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001588404190	1166552098	/nfs/dbraw/zinc/55/20/98/1166552098.db2.gz	FGVBJVJIDHFZHY-SNVBAGLBSA-N	-1	0	303.322	0.629	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)C[C@@H](C)COC1CCCC1)C(=O)[O-]	ZINC001588423493	1166553129	/nfs/dbraw/zinc/55/31/29/1166553129.db2.gz	IXNWQHHMRHUJKC-WCQYABFASA-N	-1	0	317.407	0.978	20	30		DCEDRM
C=CCn1c(-c2cnc(-c3nn[nH]n3)cn2)nnc1N(C)C1CC1	ZINC001588700713	1166582944	/nfs/dbraw/zinc/58/29/44/1166582944.db2.gz	VXKPQCJKKPWADH-UHFFFAOYSA-N	-1	0	324.352	0.700	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(-c2nn[nH]n2)c1C	ZINC001588752837	1166587715	/nfs/dbraw/zinc/58/77/15/1166587715.db2.gz	VVOGCLXQGHEJBH-UHFFFAOYSA-N	-1	0	319.346	0.258	20	30		DCEDRM
CC(=O)Oc1ccc(Cn2cnc(-c3nnn[n-]3)c2C#N)cc1	ZINC001588887790	1166613210	/nfs/dbraw/zinc/61/32/10/1166613210.db2.gz	ATMYSOLVSBHPPY-UHFFFAOYSA-N	-1	0	309.289	0.908	20	30		DCEDRM
C[C@H](C#N)N(C1CC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001588933915	1166618585	/nfs/dbraw/zinc/61/85/85/1166618585.db2.gz	BMULBIUULRPTGY-MRVPVSSYSA-N	-1	0	319.350	0.327	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC001588931475	1166619952	/nfs/dbraw/zinc/61/99/52/1166619952.db2.gz	VZAPDQSWMKWTHZ-CYBMUJFWSA-N	-1	0	316.313	0.347	20	30		DCEDRM
C[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1cccc(O)c1	ZINC001589025296	1166628920	/nfs/dbraw/zinc/62/89/20/1166628920.db2.gz	PUTHTFIRSSFEBP-SSDOTTSWSA-N	-1	0	324.304	0.909	20	30		DCEDRM
C[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)n1cnc(-c2nnn[n-]2)n1	ZINC001589025714	1166629135	/nfs/dbraw/zinc/62/91/35/1166629135.db2.gz	BOANHFFMCKWNSA-UTLUCORTSA-N	-1	0	316.325	0.645	20	30		DCEDRM
C[C@@H](C(=O)Oc1ccc(C#N)cc1)n1cnc(-c2nnn[n-]2)n1	ZINC001589033493	1166631467	/nfs/dbraw/zinc/63/14/67/1166631467.db2.gz	YBDLQERSXVXZBD-QMMMGPOBSA-N	-1	0	310.277	0.496	20	30		DCEDRM
C[C@H](C(=O)O[C@H](Cc1ccccc1)C(=O)[O-])n1cnc(C#N)n1	ZINC001589539632	1166664455	/nfs/dbraw/zinc/66/44/55/1166664455.db2.gz	FAYWVYSXPBANHL-ZYHUDNBSSA-N	-1	0	314.301	0.950	20	30		DCEDRM
C[C@H]1CCC[C@@H](CNc2cnc(C#N)c(-c3nnn[n-]3)n2)O1	ZINC001590245237	1166825952	/nfs/dbraw/zinc/82/59/52/1166825952.db2.gz	XUJWJQJPURCPJZ-IUCAKERBSA-N	-1	0	300.326	0.898	20	30		DCEDRM
C[C@@H]1CCC[C@H](CNc2cnc(C#N)c(-c3nnn[n-]3)n2)O1	ZINC001590245238	1166827651	/nfs/dbraw/zinc/82/76/51/1166827651.db2.gz	XUJWJQJPURCPJZ-RKDXNWHRSA-N	-1	0	300.326	0.898	20	30		DCEDRM
C[C@@H]1COCC[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001590325922	1166867222	/nfs/dbraw/zinc/86/72/22/1166867222.db2.gz	VNEGJVWSBZVAHS-RNFRBKRXSA-N	-1	0	302.298	0.073	20	30		DCEDRM
CC[C@H](O)CNN=C1CCCc2c1c[nH]c(=O)c2-c1nnn[n-]1	ZINC001590476934	1166920000	/nfs/dbraw/zinc/92/00/00/1166920000.db2.gz	MFCBFKYUWQTXJK-QMMMGPOBSA-N	-1	0	317.353	0.368	20	30		DCEDRM
COC(=O)c1ccc(Cn2cnc(-c3nnn[n-]3)c2C#N)cc1	ZINC001591293554	1167203421	/nfs/dbraw/zinc/20/34/21/1167203421.db2.gz	ULLKPMYTEWYGMO-UHFFFAOYSA-N	-1	0	309.289	0.770	20	30		DCEDRM
CO[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC[C@@H]1C	ZINC001591360020	1167233516	/nfs/dbraw/zinc/23/35/16/1167233516.db2.gz	GRJBUGBJXSHMIK-WCBMZHEXSA-N	-1	0	300.326	0.390	20	30		DCEDRM
CO[C@H]1CCC[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001591362938	1167235889	/nfs/dbraw/zinc/23/58/89/1167235889.db2.gz	UODBHKYWHAJBTO-XPUUQOCRSA-N	-1	0	302.298	0.215	20	30		DCEDRM
COc1cc(C#N)ccc1Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC001591508659	1167317109	/nfs/dbraw/zinc/31/71/09/1167317109.db2.gz	BJFSUCMFYKAKJO-UHFFFAOYSA-N	-1	0	306.289	0.863	20	30		DCEDRM
Cc1cc(-c2nn[nH]n2)cnc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC001591874410	1167404941	/nfs/dbraw/zinc/40/49/41/1167404941.db2.gz	UBQLAAZFLNRXJY-SNVBAGLBSA-N	-1	0	313.321	0.417	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(C=O)s2)[n-]c1-c1nn[nH]n1	ZINC001592682195	1167600698	/nfs/dbraw/zinc/60/06/98/1167600698.db2.gz	RYOQPJHASVUNNM-UHFFFAOYSA-N	-1	0	314.290	0.588	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC001592693464	1167602999	/nfs/dbraw/zinc/60/29/99/1167602999.db2.gz	FOIQIUUXBMXBJE-UHFFFAOYSA-N	-1	0	321.260	0.763	20	30		DCEDRM
N#Cc1ncc(NCC#C[C@@H]2CCCCO2)nc1-c1nnn[n-]1	ZINC001592710769	1167609197	/nfs/dbraw/zinc/60/91/97/1167609197.db2.gz	YUHLZYPDTCMGEG-JTQLQIEISA-N	-1	0	310.321	0.513	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2ccc(C#N)cn2)[C@H](C(=O)[O-])C1	ZINC001598798927	1168038485	/nfs/dbraw/zinc/03/84/85/1168038485.db2.gz	RUFIKZJBOBEGCC-PWSUYJOCSA-N	-1	0	317.301	0.432	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CC[C@](O)(CC#N)C2)ccc1C(=O)[O-]	ZINC001600295747	1168158392	/nfs/dbraw/zinc/15/83/92/1168158392.db2.gz	PTXCDOVGIQXWPI-CQSZACIVSA-N	-1	0	324.358	0.732	20	30		DCEDRM
Cc1cc(S(C)(=O)=O)cc(C(=O)N(CC#N)CC(=O)[O-])c1C	ZINC001600302631	1168161213	/nfs/dbraw/zinc/16/12/13/1168161213.db2.gz	FDFCBCDXIIPBLA-UHFFFAOYSA-N	-1	0	324.358	0.757	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c1C(=O)[O-]	ZINC001600547982	1168198300	/nfs/dbraw/zinc/19/83/00/1168198300.db2.gz	IACZIOIYLKGBHV-CQSZACIVSA-N	-1	0	324.358	0.996	20	30		DCEDRM
Cc1nc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)ccc1C#N	ZINC001600681902	1168246762	/nfs/dbraw/zinc/24/67/62/1168246762.db2.gz	AUWYWLVATONASN-ZDUSSCGKSA-N	-1	0	303.318	0.559	20	30		DCEDRM
Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)CC(=O)[O-])CC2)c1C#N	ZINC001600772172	1168287649	/nfs/dbraw/zinc/28/76/49/1168287649.db2.gz	BHNOOKGPVJBHOM-JTQLQIEISA-N	-1	0	319.365	0.360	20	30		DCEDRM
Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1ccc(C#N)n1C	ZINC001600779926	1168293166	/nfs/dbraw/zinc/29/31/66/1168293166.db2.gz	STPHUEBJRNGQNE-UHFFFAOYSA-N	-1	0	315.333	0.725	20	30		DCEDRM
Cc1onc(CC(=O)NCc2ccnc(C(=O)[O-])c2)c1C#N	ZINC001600864828	1168492609	/nfs/dbraw/zinc/49/26/09/1168492609.db2.gz	YIYNKNAOEZRICY-UHFFFAOYSA-N	-1	0	300.274	0.807	20	30		DCEDRM
Cn1c(CC#N)nnc1SCc1noc(CCCC(=O)[O-])n1	ZINC001600912694	1168504936	/nfs/dbraw/zinc/50/49/36/1168504936.db2.gz	SRXDGYJFRHXIBA-UHFFFAOYSA-N	-1	0	322.350	0.964	20	30		DCEDRM
Cn1c(N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)nnc1C(C)(C)C#N	ZINC001600919525	1168509345	/nfs/dbraw/zinc/50/93/45/1168509345.db2.gz	BCLVRENVWVOHOX-ZUZCIYMTSA-N	-1	0	319.365	0.544	20	30		DCEDRM
Cn1cc(CCCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001600950130	1168527393	/nfs/dbraw/zinc/52/73/93/1168527393.db2.gz	OSMDOJVCCWZSFP-UHFFFAOYSA-N	-1	0	319.365	0.753	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC001601001148	1168556842	/nfs/dbraw/zinc/55/68/42/1168556842.db2.gz	PHGBWYJKSDIKIW-JTQLQIEISA-N	-1	0	305.338	0.084	20	30		DCEDRM
Cn1ncc(C#N)c1N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001601019981	1168567349	/nfs/dbraw/zinc/56/73/49/1168567349.db2.gz	WMFDEKISEZSHQV-JTQLQIEISA-N	-1	0	301.310	0.423	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(Cc2cn(C[C@@H]3CCOC3)nn2)CC1	ZINC001601051544	1168577645	/nfs/dbraw/zinc/57/76/45/1168577645.db2.gz	AIVGXIJXSRZRML-LBPRGKRZSA-N	-1	0	319.365	0.505	20	30		DCEDRM
N#CC1(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)CCOCC1	ZINC001601050442	1168577895	/nfs/dbraw/zinc/57/78/95/1168577895.db2.gz	PCUVZJYMODHFHH-BGMSHATGSA-N	-1	0	322.361	0.835	20	30		DCEDRM
N#CC1(CC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CCOCC1	ZINC001601054955	1168578091	/nfs/dbraw/zinc/57/80/91/1168578091.db2.gz	QCWGSLSHQZDBJM-NSHDSACASA-N	-1	0	306.322	0.232	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)Nc2nc3n(c2C(=O)[O-])CCC3)C1	ZINC001601056851	1168578305	/nfs/dbraw/zinc/57/83/05/1168578305.db2.gz	BVZCGESAOMAFEC-ZDUSSCGKSA-N	-1	0	307.285	0.997	20	30		DCEDRM
N#CC[C@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)C(F)(F)F	ZINC001601061865	1168579005	/nfs/dbraw/zinc/57/90/05/1168579005.db2.gz	IGDCLMSELSODQX-SFYZADRCSA-N	-1	0	309.244	0.716	20	30		DCEDRM
N#CC[C@H](N1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O)C(F)(F)F	ZINC001601062979	1168579822	/nfs/dbraw/zinc/57/98/22/1168579822.db2.gz	WJUACVGVRCDQSO-CSMHCCOUSA-N	-1	0	319.239	0.958	20	30		DCEDRM
N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])n1	ZINC001601068457	1168580402	/nfs/dbraw/zinc/58/04/02/1168580402.db2.gz	AVOMTLBAZRZUCY-VHSXEESVSA-N	-1	0	319.321	0.105	20	30		DCEDRM
N#CCCN1CCN(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CC1	ZINC001601067701	1168580484	/nfs/dbraw/zinc/58/04/84/1168580484.db2.gz	HXQLYMOEHZECFK-RQJABVFESA-N	-1	0	320.393	0.727	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cn(-c2cccnc2)nn1	ZINC001601071655	1168581181	/nfs/dbraw/zinc/58/11/81/1168581181.db2.gz	CFHCURPNRUFESA-UHFFFAOYSA-N	-1	0	300.278	0.103	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1	ZINC001601073565	1168581544	/nfs/dbraw/zinc/58/15/44/1168581544.db2.gz	CCQMPEFSWOZCHC-UKRRQHHQSA-N	-1	0	318.329	0.568	20	30		DCEDRM
N#CCN1CCC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1	ZINC001601073349	1168581872	/nfs/dbraw/zinc/58/18/72/1168581872.db2.gz	QBMIXBOCXWEXSK-WCQYABFASA-N	-1	0	309.366	0.360	20	30		DCEDRM
N#CCc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1	ZINC001601076374	1168582364	/nfs/dbraw/zinc/58/23/64/1168582364.db2.gz	GWPVCAKUYSFYQZ-GFCCVEGCSA-N	-1	0	301.302	0.168	20	30		DCEDRM
N#CCc1ccnc(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)c1	ZINC001601078768	1168582705	/nfs/dbraw/zinc/58/27/05/1168582705.db2.gz	ZSACOLMOKRCOLD-LLVKDONJSA-N	-1	0	304.306	0.855	20	30		DCEDRM
N#C[C@H]1C[C@H]1C(=O)N[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O	ZINC001601079476	1168583008	/nfs/dbraw/zinc/58/30/08/1168583008.db2.gz	DJZRXYRQGUBECR-NQBHXWOUSA-N	-1	0	313.313	0.914	20	30		DCEDRM
N#CCn1c(C(=O)NCC[C@H](O)C(=O)[O-])cc2ccccc21	ZINC001601078818	1168583199	/nfs/dbraw/zinc/58/31/99/1168583199.db2.gz	CQTUYKFNLVEWKL-ZDUSSCGKSA-N	-1	0	301.302	0.730	20	30		DCEDRM
N#Cc1cc(CS(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)cs1	ZINC001601086730	1168583611	/nfs/dbraw/zinc/58/36/11/1168583611.db2.gz	GROVQAJHUGOPIQ-NSHDSACASA-N	-1	0	318.351	0.948	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)[nH]1	ZINC001601092619	1168584227	/nfs/dbraw/zinc/58/42/27/1168584227.db2.gz	OWTPYSSTPRAWOH-SECBINFHSA-N	-1	0	300.278	0.263	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1	ZINC001601095932	1168584620	/nfs/dbraw/zinc/58/46/20/1168584620.db2.gz	IDOLIRIZAMWOAZ-IATRGZMQSA-N	-1	0	300.314	0.961	20	30		DCEDRM
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@](O)(C(=O)[O-])C1	ZINC001601103317	1168585652	/nfs/dbraw/zinc/58/56/52/1168585652.db2.gz	CUZWQILMNHBMMS-CQSZACIVSA-N	-1	0	323.736	0.672	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1	ZINC001601108883	1168586279	/nfs/dbraw/zinc/58/62/79/1168586279.db2.gz	XZSVXDVUEQVKNJ-OCCSQVGLSA-N	-1	0	303.318	0.407	20	30		DCEDRM
N#Cc1ccc(N(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])C2CC2)nc1	ZINC001601106309	1168586515	/nfs/dbraw/zinc/58/65/15/1168586515.db2.gz	QTYWXYCYWDSAJY-QWHCGFSZSA-N	-1	0	314.345	0.759	20	30		DCEDRM
N#Cc1cccc(C(=O)OCCCc2cn(CC(=O)[O-])nn2)n1	ZINC001601117011	1168587342	/nfs/dbraw/zinc/58/73/42/1168587342.db2.gz	ZPRDLIACHZFBAX-UHFFFAOYSA-N	-1	0	315.289	0.419	20	30		DCEDRM
N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CF)C(=O)[O-]	ZINC001601114910	1168587465	/nfs/dbraw/zinc/58/74/65/1168587465.db2.gz	YNHOKJLKLLZDSU-MRVPVSSYSA-N	-1	0	317.254	0.167	20	30		DCEDRM
N#Cc1ccccc1C(F)(F)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001601124804	1168588203	/nfs/dbraw/zinc/58/82/03/1168588203.db2.gz	ZVHYIMDLBMNIOF-MNOVXSKESA-N	-1	0	324.283	0.944	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001601125898	1168589203	/nfs/dbraw/zinc/58/92/03/1168589203.db2.gz	QXQRJWGTCGZBLF-UHFFFAOYSA-N	-1	0	319.317	0.034	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)NC1(CC(=O)[O-])CCOCC1	ZINC001601127530	1168590196	/nfs/dbraw/zinc/59/01/96/1168590196.db2.gz	NHTROYUBQKUGFW-UHFFFAOYSA-N	-1	0	324.358	0.860	20	30		DCEDRM
N#Cc1ccnc(N2CCC([C@H](O)C(=O)[O-])CC2)c1[N+](=O)[O-]	ZINC001601127634	1168590457	/nfs/dbraw/zinc/59/04/57/1168590457.db2.gz	SOQACJCJBOTCPF-NSHDSACASA-N	-1	0	306.278	0.523	20	30		DCEDRM
N#Cc1cncc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC001601131248	1168590804	/nfs/dbraw/zinc/59/08/04/1168590804.db2.gz	VJGSFHNDFHHGRB-UHFFFAOYSA-N	-1	0	324.362	0.084	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1	ZINC001601131444	1168590940	/nfs/dbraw/zinc/59/09/40/1168590940.db2.gz	ZJMQEYZXVNGDCW-NRUUGDAUSA-N	-1	0	307.331	0.485	20	30		DCEDRM
N#Cc1cnc(NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c(F)c1	ZINC001601129956	1168591302	/nfs/dbraw/zinc/59/13/02/1168591302.db2.gz	BPRRAWYDTABAAK-VHSXEESVSA-N	-1	0	318.308	0.874	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCC[C@@H](N2CCOCC2)C1	ZINC001601132702	1168592197	/nfs/dbraw/zinc/59/21/97/1168592197.db2.gz	BIEWQVUFMKDCLD-GFCCVEGCSA-N	-1	0	316.361	0.952	20	30		DCEDRM
N#Cc1cnccc1NC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001601131948	1168592289	/nfs/dbraw/zinc/59/22/89/1168592289.db2.gz	YOEIHSONHYVART-OLZOCXBDSA-N	-1	0	314.345	0.499	20	30		DCEDRM
N#Cc1nccc(N2CCC(O)(C3(C(=O)[O-])CCC3)CC2)n1	ZINC001601134106	1168593218	/nfs/dbraw/zinc/59/32/18/1168593218.db2.gz	IGDLZKIOPAWVPE-UHFFFAOYSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1nccnc1NC/C=C/CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001601134906	1168593400	/nfs/dbraw/zinc/59/34/00/1168593400.db2.gz	BTIYUQNCDWHDJS-HXNLBGINSA-N	-1	0	301.306	0.153	20	30		DCEDRM
O=C([O-])[C@]1(O)CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)C1	ZINC001601238867	1168672697	/nfs/dbraw/zinc/67/26/97/1168672697.db2.gz	PPTSKHVFCWLXRW-BYPUDFOVSA-N	-1	0	307.277	0.456	20	30		DCEDRM
O=C([O-])c1ncoc1COCC(=O)NCC#C[C@H]1CCCCO1	ZINC001601340919	1168714402	/nfs/dbraw/zinc/71/44/02/1168714402.db2.gz	LZBXZZZFZZGUGX-LLVKDONJSA-N	-1	0	322.317	0.578	20	30		DCEDRM
O=C([O-])COc1ccc(NC(=O)N[C@H]2CCCN(O)C2=O)cc1	ZINC001602088336	1168992166	/nfs/dbraw/zinc/99/21/66/1168992166.db2.gz	RFNWSIBHMYXUPF-NSHDSACASA-N	-1	0	323.305	0.652	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccccc1	ZINC001602679051	1169157540	/nfs/dbraw/zinc/15/75/40/1169157540.db2.gz	SYXFAEJXNFTYAD-LLVKDONJSA-N	-1	0	305.315	0.761	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001602683535	1169158107	/nfs/dbraw/zinc/15/81/07/1169158107.db2.gz	RCMZFEKAOBADKN-SECBINFHSA-N	-1	0	310.331	0.539	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC001602683053	1169158263	/nfs/dbraw/zinc/15/82/63/1169158263.db2.gz	IRGLCCKSOYYIIH-VIFPVBQESA-N	-1	0	324.358	0.929	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCc1c(C)nc2ncnn2c1C)C(=O)[O-]	ZINC001602687461	1169158467	/nfs/dbraw/zinc/15/84/67/1169158467.db2.gz	OVGKFMRIYSLSBA-GFCCVEGCSA-N	-1	0	315.333	0.266	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)C1	ZINC001602696298	1169162352	/nfs/dbraw/zinc/16/23/52/1169162352.db2.gz	HMYUUAYULKZSCO-JTQLQIEISA-N	-1	0	312.333	0.761	20	30		DCEDRM
C#CCC1(O)CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1	ZINC001602700078	1169163650	/nfs/dbraw/zinc/16/36/50/1169163650.db2.gz	PWXIIGIXNYOANN-VXGBXAGGSA-N	-1	0	310.350	0.036	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1F	ZINC001602702290	1169166541	/nfs/dbraw/zinc/16/65/41/1169166541.db2.gz	FAPQWCUPZYXGDA-JTQLQIEISA-N	-1	0	318.312	0.902	20	30		DCEDRM
C#CCCCC(=O)N[C@@H](C)CNc1ccc(-c2nn[nH]n2)cn1	ZINC001602704090	1169166672	/nfs/dbraw/zinc/16/66/72/1169166672.db2.gz	ORKNUOJATWRQRA-NSHDSACASA-N	-1	0	313.365	0.982	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1	ZINC001602713370	1169168200	/nfs/dbraw/zinc/16/82/00/1169168200.db2.gz	AAMKKDZGRMPDBR-VIFPVBQESA-N	-1	0	321.358	0.249	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])n(C)c2)C1	ZINC001602721081	1169170313	/nfs/dbraw/zinc/17/03/13/1169170313.db2.gz	UNOHFILWPNOUCD-NSHDSACASA-N	-1	0	304.350	0.942	20	30		DCEDRM
C#CCOCCNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001602728636	1169175214	/nfs/dbraw/zinc/17/52/14/1169175214.db2.gz	YPAUSGFIGCZXGB-JTQLQIEISA-N	-1	0	314.338	0.120	20	30		DCEDRM
C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cc1	ZINC001602739808	1169176198	/nfs/dbraw/zinc/17/61/98/1169176198.db2.gz	NQTWWPPSXVKLGP-ZIAGYGMSSA-N	-1	0	312.325	0.329	20	30		DCEDRM
C#Cc1cccc(CNS(=O)(=O)c2cc(C(=O)[O-])no2)c1	ZINC001602742207	1169176235	/nfs/dbraw/zinc/17/62/35/1169176235.db2.gz	IZSZTWAQFFUCFP-UHFFFAOYSA-N	-1	0	306.299	0.833	20	30		DCEDRM
C#Cc1cncc(C(=O)N2C[C@@H](C(=O)OC)CC[C@H]2C(=O)[O-])c1	ZINC001602743405	1169176788	/nfs/dbraw/zinc/17/67/88/1169176788.db2.gz	OMJBURJEPMMPKU-AAEUAGOBSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001602745015	1169178225	/nfs/dbraw/zinc/17/82/25/1169178225.db2.gz	XMBHKFBZZNTIBI-FHUSYTEZSA-N	-1	0	320.389	0.882	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCC(F)(F)F)C[C@H](O)CO	ZINC001602774553	1169183321	/nfs/dbraw/zinc/18/33/21/1169183321.db2.gz	PTBYOCBVZMUEDF-VIFPVBQESA-N	-1	0	313.272	0.542	20	30		DCEDRM
C=C[C@@H](C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])c1ccccc1	ZINC001602801303	1169185087	/nfs/dbraw/zinc/18/50/87/1169185087.db2.gz	QBNNCLOBWJKFFT-CHWSQXEVSA-N	-1	0	302.330	0.758	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001602812814	1169186871	/nfs/dbraw/zinc/18/68/71/1169186871.db2.gz	NFLCUTHJEZRABZ-PGUXBMHVSA-N	-1	0	320.349	0.561	20	30		DCEDRM
C=C[C@@](C)(O)C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1	ZINC001602809410	1169186894	/nfs/dbraw/zinc/18/68/94/1169186894.db2.gz	FYAVIYULBKDGJK-CQSZACIVSA-N	-1	0	302.290	0.841	20	30		DCEDRM
C=C[C@](C)(O)C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1	ZINC001602809409	1169186926	/nfs/dbraw/zinc/18/69/26/1169186926.db2.gz	FYAVIYULBKDGJK-AWEZNQCLSA-N	-1	0	302.290	0.841	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC001602817441	1169187994	/nfs/dbraw/zinc/18/79/94/1169187994.db2.gz	XCWGPCQIXXQADK-JTQLQIEISA-N	-1	0	306.318	0.949	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C	ZINC001602842179	1169189780	/nfs/dbraw/zinc/18/97/80/1169189780.db2.gz	FLNMGVWVVTXCKN-VIFPVBQESA-N	-1	0	324.308	0.824	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC001602843233	1169192174	/nfs/dbraw/zinc/19/21/74/1169192174.db2.gz	XISLLXRDNGANIB-NSHDSACASA-N	-1	0	306.318	0.685	20	30		DCEDRM
C=CCN1CC[C@H](OC(=O)c2ccc(-c3nn[nH]n3)cn2)C1=O	ZINC001602862539	1169193831	/nfs/dbraw/zinc/19/38/31/1169193831.db2.gz	JNWBJRSDKQDWSB-NSHDSACASA-N	-1	0	314.305	0.205	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O)C(=O)[O-]	ZINC001602864216	1169195583	/nfs/dbraw/zinc/19/55/83/1169195583.db2.gz	ZAQCTUSXFGFDLU-ZMLRMANQSA-N	-1	0	312.366	0.188	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@]1(OC)CCS(=O)(=O)C1)C(=O)[O-]	ZINC001602863942	1169196478	/nfs/dbraw/zinc/19/64/78/1169196478.db2.gz	VODCUIJDVGELJC-GWCFXTLKSA-N	-1	0	319.379	0.116	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1cn(C[C@@H]2CCOC2)nn1)C(=O)[O-]	ZINC001602872207	1169197131	/nfs/dbraw/zinc/19/71/31/1169197131.db2.gz	QYEKJXLBVOFDGE-NWDGAFQWSA-N	-1	0	322.365	0.854	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001602880945	1169197562	/nfs/dbraw/zinc/19/75/62/1169197562.db2.gz	NQLDDFSUVARHNK-UHFFFAOYSA-N	-1	0	307.306	0.427	20	30		DCEDRM
C=CCN(CCOC)CC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC001602891078	1169199683	/nfs/dbraw/zinc/19/96/83/1169199683.db2.gz	VNYIGXKBYHKNAL-UHFFFAOYSA-N	-1	0	313.379	0.843	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001602887857	1169199754	/nfs/dbraw/zinc/19/97/54/1169199754.db2.gz	UVHQYVIEQZQSIS-QWHCGFSZSA-N	-1	0	324.377	0.525	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN1CCc2cc(C(=O)[O-])ccc2C1	ZINC001602902047	1169201828	/nfs/dbraw/zinc/20/18/28/1169201828.db2.gz	LRLSPNVMNHQOED-UHFFFAOYSA-N	-1	0	317.345	0.755	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1cccc(OCC)n1)C(=O)[O-]	ZINC001602908620	1169201853	/nfs/dbraw/zinc/20/18/53/1169201853.db2.gz	AEOCGBSRMCCPOU-GFCCVEGCSA-N	-1	0	308.334	0.795	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c(C)nn2cccnc12)C(=O)[O-]	ZINC001602908672	1169202185	/nfs/dbraw/zinc/20/21/85/1169202185.db2.gz	BQIOHGJHXURODY-SNVBAGLBSA-N	-1	0	304.306	0.423	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc(C(=O)OC)n1)C(=O)[O-]	ZINC001602913568	1169204572	/nfs/dbraw/zinc/20/45/72/1169204572.db2.gz	WBKVHMHRUVVFSV-NSHDSACASA-N	-1	0	308.290	0.254	20	30		DCEDRM
C=CCn1c([C@@H](O)C2CC2)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001602932807	1169210702	/nfs/dbraw/zinc/21/07/02/1169210702.db2.gz	STGGLLFYYKOPMB-NHYWBVRUSA-N	-1	0	322.365	0.587	20	30		DCEDRM
C=CCn1c(-c2c[nH]cn2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602931176	1169210999	/nfs/dbraw/zinc/21/09/99/1169210999.db2.gz	OBHGCOVITHNGBD-JTQLQIEISA-N	-1	0	304.310	0.144	20	30		DCEDRM
C=CCn1c(CC(C)(C)O)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602931930	1169211205	/nfs/dbraw/zinc/21/12/05/1169211205.db2.gz	FVVIXLPWPHVODZ-JTQLQIEISA-N	-1	0	310.354	0.067	20	30		DCEDRM
C=CCn1c(-c2noc(C)n2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001602931334	1169211303	/nfs/dbraw/zinc/21/13/03/1169211303.db2.gz	QUEHHMJJKBWOBV-PSASIEDQSA-N	-1	0	318.337	0.979	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001602944589	1169215885	/nfs/dbraw/zinc/21/58/85/1169215885.db2.gz	CJAFDBISJYNOCA-WYUUTHIRSA-N	-1	0	303.380	0.893	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC001602946393	1169217812	/nfs/dbraw/zinc/21/78/12/1169217812.db2.gz	WFXXDNMYTLHCBN-LBPRGKRZSA-N	-1	0	311.359	0.746	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)[C@@H]1C	ZINC001603130212	1169250009	/nfs/dbraw/zinc/25/00/09/1169250009.db2.gz	TXLYDKVWXXEVQE-BBBLOLIVSA-N	-1	0	303.322	0.418	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCCCN(c1ccnc(C(=O)[O-])n1)C1CC1	ZINC001603129918	1169250715	/nfs/dbraw/zinc/25/07/15/1169250715.db2.gz	PHOGIQJCILNQIC-JTQLQIEISA-N	-1	0	317.349	0.810	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	ZINC001603129896	1169251190	/nfs/dbraw/zinc/25/11/90/1169251190.db2.gz	OHLMSRRQPXKPJG-SVPDRVBRSA-N	-1	0	314.363	0.073	20	30		DCEDRM
CC(C)COC1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001603299705	1169289156	/nfs/dbraw/zinc/28/91/56/1169289156.db2.gz	SMVOLFCKGIWTHH-UHFFFAOYSA-N	-1	0	300.326	0.390	20	30		DCEDRM
CC(C)(C)OC(=O)NCC[C@H](O)CN(CC#N)CC(=O)[O-]	ZINC001603458796	1169307909	/nfs/dbraw/zinc/30/79/09/1169307909.db2.gz	BXMLOCTVVPHEMN-JTQLQIEISA-N	-1	0	301.343	0.172	20	30		DCEDRM
CC1(C)C[C@H](O)CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001603765558	1169383210	/nfs/dbraw/zinc/38/32/10/1169383210.db2.gz	UAXDIRLKYIPYLS-QMMMGPOBSA-N	-1	0	300.326	0.126	20	30		DCEDRM
C[C@@](CC(=O)[O-])(NS(=O)(=O)c1ccc(C#N)nc1)C1CC1	ZINC001604091524	1169489775	/nfs/dbraw/zinc/48/97/75/1169489775.db2.gz	ZZSPJXZGBDQRFB-ZDUSSCGKSA-N	-1	0	309.347	0.875	20	30		DCEDRM
C[C@H](O)[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001604387243	1169580405	/nfs/dbraw/zinc/58/04/05/1169580405.db2.gz	MIZGWDQMCNSRHE-JOYOIKCWSA-N	-1	0	324.358	0.790	20	30		DCEDRM
C[C@@H](Sc1nncn1C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001604458963	1169597155	/nfs/dbraw/zinc/59/71/55/1169597155.db2.gz	LLPNZDJCVBPSTE-SECBINFHSA-N	-1	0	323.378	0.513	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C[C@@H]1O	ZINC001604804893	1169691411	/nfs/dbraw/zinc/69/14/11/1169691411.db2.gz	BURYTIQMPCZIPB-KWQFWETISA-N	-1	0	310.331	0.258	20	30		DCEDRM
CCCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cnc(C#N)cn1	ZINC001605316430	1169893342	/nfs/dbraw/zinc/89/33/42/1169893342.db2.gz	RHONJAMXDHESRA-VXGBXAGGSA-N	-1	0	317.349	0.402	20	30		DCEDRM
CCCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cnc(C#N)cn1	ZINC001605316428	1169894192	/nfs/dbraw/zinc/89/41/92/1169894192.db2.gz	RHONJAMXDHESRA-NWDGAFQWSA-N	-1	0	317.349	0.402	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC001605417815	1169915659	/nfs/dbraw/zinc/91/56/59/1169915659.db2.gz	IPTFFHTTXZDVTL-SWLSCSKDSA-N	-1	0	321.381	0.324	20	30		DCEDRM
CN(C)C(=O)N[C@H]1CCCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001606002148	1170045100	/nfs/dbraw/zinc/04/51/00/1170045100.db2.gz	SJLPEQWDIIUJEW-JTQLQIEISA-N	-1	0	317.349	0.891	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC1(CS(C)(=O)=O)CC1	ZINC001606018520	1170051724	/nfs/dbraw/zinc/05/17/24/1170051724.db2.gz	YBQCPVKPXOOTEI-UHFFFAOYSA-N	-1	0	321.366	0.068	20	30		DCEDRM
Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)CCC(C)(C)C#N)n1	ZINC001606222897	1170121681	/nfs/dbraw/zinc/12/16/81/1170121681.db2.gz	XZBVOZZKMRIOMT-UHFFFAOYSA-N	-1	0	324.370	0.282	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)CC(C)(C)CC(=O)[O-]	ZINC001606272542	1170143535	/nfs/dbraw/zinc/14/35/35/1170143535.db2.gz	AFSQLCZQMZIGOH-UHFFFAOYSA-N	-1	0	302.400	0.463	20	30		DCEDRM
CNC(=O)c1cncc(/C=C\C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001606292867	1170151982	/nfs/dbraw/zinc/15/19/82/1170151982.db2.gz	XYROJYUZOFLPGY-IHWYPQMZSA-N	-1	0	316.317	0.281	20	30		DCEDRM
N#Cc1ncc(N2CC[C@@H](n3cccn3)C2)nc1-c1nnn[n-]1	ZINC001606397216	1170184012	/nfs/dbraw/zinc/18/40/12/1170184012.db2.gz	LEFRYZIWXKZOSE-SECBINFHSA-N	-1	0	308.309	0.176	20	30		DCEDRM
N#Cc1ncc(NCC[C@@H]2CCCOC2)nc1-c1nnn[n-]1	ZINC001606398334	1170185091	/nfs/dbraw/zinc/18/50/91/1170185091.db2.gz	WYRIMZNUKJGRRJ-VIFPVBQESA-N	-1	0	300.326	0.757	20	30		DCEDRM
COC(=O)C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC001606441727	1170203214	/nfs/dbraw/zinc/20/32/14/1170203214.db2.gz	ATQXRVOBAKKHTN-SNVBAGLBSA-N	-1	0	310.693	0.958	20	30		DCEDRM
COC(=O)CN(CCCOc1ccc(C#N)cc1)CC(=O)[O-]	ZINC001606468453	1170215204	/nfs/dbraw/zinc/21/52/04/1170215204.db2.gz	DRHNFHSMUKSEGH-UHFFFAOYSA-N	-1	0	306.318	0.887	20	30		DCEDRM
COCCCN(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001606870348	1170319352	/nfs/dbraw/zinc/31/93/52/1170319352.db2.gz	WCPGUKXDNCOQKA-UHFFFAOYSA-N	-1	0	312.347	0.913	20	30		DCEDRM
COc1cc(C(=O)[O-])sc1S(=O)(=O)N(C)[C@H](C)C#N	ZINC001607142316	1170392504	/nfs/dbraw/zinc/39/25/04/1170392504.db2.gz	CTHIRILADCOKAK-ZCFIWIBFSA-N	-1	0	304.349	0.987	20	30		DCEDRM
COc1ncc(NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1C#N	ZINC001607358612	1170436040	/nfs/dbraw/zinc/43/60/40/1170436040.db2.gz	LXMYVPXIOSKFBC-URLYPYJESA-N	-1	0	302.290	0.756	20	30		DCEDRM
Cc1cc(C#N)nc(N(C)CCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1	ZINC001607565774	1170477682	/nfs/dbraw/zinc/47/76/82/1170477682.db2.gz	GURHFJFTFMIEQN-VXGBXAGGSA-N	-1	0	317.349	0.320	20	30		DCEDRM
Cc1cc(C=NNC2=NCC(=O)N2)cc(C)c1OCC(=O)[O-]	ZINC001607634144	1170487261	/nfs/dbraw/zinc/48/72/61/1170487261.db2.gz	ZJMSZUAGRZYHKR-UHFFFAOYSA-N	-1	0	304.306	0.176	20	30		DCEDRM
Cc1ccc(C(=O)/C=C/C(=O)N2CCN(CC(=O)[O-])CC2)cc1	ZINC001607725341	1170500427	/nfs/dbraw/zinc/50/04/27/1170500427.db2.gz	WCVSWMVGUMEQDQ-VOTSOKGWSA-N	-1	0	316.357	0.963	20	30		DCEDRM
Cn1cc(C=NNc2cccc(F)c2C(=O)[O-])c(=O)n(C)c1=O	ZINC001608107575	1170575218	/nfs/dbraw/zinc/57/52/18/1170575218.db2.gz	SQQSCNIBANGKEL-UHFFFAOYSA-N	-1	0	320.280	0.367	20	30		DCEDRM
Cn1cc(C=NNC(=S)NC[C@@H]2CCCO2)cc1C(=O)[O-]	ZINC001608107796	1170575521	/nfs/dbraw/zinc/57/55/21/1170575521.db2.gz	XINJMNBLEDIYGR-JTQLQIEISA-N	-1	0	310.379	0.700	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2CCCCS2(=O)=O)CC1	ZINC001608171384	1170608156	/nfs/dbraw/zinc/60/81/56/1170608156.db2.gz	LZLUBQAUNWWTCY-SNVBAGLBSA-N	-1	0	314.363	0.171	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1	ZINC001608176126	1170609505	/nfs/dbraw/zinc/60/95/05/1170609505.db2.gz	ULVSXFSVZBHTGM-ZFRURQGFSA-N	-1	0	323.324	0.066	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])C1	ZINC001608176210	1170609632	/nfs/dbraw/zinc/60/96/32/1170609632.db2.gz	XDZATKVLZBOCQF-GFCCVEGCSA-N	-1	0	311.294	0.849	20	30		DCEDRM
N#CC1(NC(=O)Cn2nc(C(=O)[O-])nc2Cl)CCCCC1	ZINC001608177094	1170610096	/nfs/dbraw/zinc/61/00/96/1170610096.db2.gz	LXRMQHOATWXWQM-UHFFFAOYSA-N	-1	0	311.729	0.972	20	30		DCEDRM
N#CC[C@@H](C(=O)NCCC(=O)NCCC(=O)[O-])c1ccccc1	ZINC001608177824	1170610650	/nfs/dbraw/zinc/61/06/50/1170610650.db2.gz	FMRAQGURTQCDNM-CYBMUJFWSA-N	-1	0	317.345	0.781	20	30		DCEDRM
N#CCCCCS(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001608181788	1170611403	/nfs/dbraw/zinc/61/14/03/1170611403.db2.gz	SOYIAQVXZFOZHQ-LLVKDONJSA-N	-1	0	304.368	0.168	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(c2ccccc2)C1=O	ZINC001608184314	1170611650	/nfs/dbraw/zinc/61/16/50/1170611650.db2.gz	WREBPHPWNXYXSX-ZDUSSCGKSA-N	-1	0	315.329	0.866	20	30		DCEDRM
N#CCc1cccc(NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)n1	ZINC001608189602	1170612771	/nfs/dbraw/zinc/61/27/71/1170612771.db2.gz	BCPWBMZPWCEXLV-ZDUSSCGKSA-N	-1	0	318.333	0.837	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)C[C@@H](NC(N)=O)c1cccs1	ZINC001608185519	1170612947	/nfs/dbraw/zinc/61/29/47/1170612947.db2.gz	VOCBGKRCOLLBNO-SECBINFHSA-N	-1	0	324.362	0.674	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cccc(Cn2cncn2)c1	ZINC001608186861	1170613136	/nfs/dbraw/zinc/61/31/36/1170613136.db2.gz	XQUAOQMHVIEBRX-UHFFFAOYSA-N	-1	0	313.317	0.767	20	30		DCEDRM
N#Cc1cccc(CN2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1	ZINC001608217486	1170617485	/nfs/dbraw/zinc/61/74/85/1170617485.db2.gz	GBTNTDJULRQRRZ-GJZGRUSLSA-N	-1	0	313.357	0.827	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)CC(=O)N2	ZINC001608214035	1170617539	/nfs/dbraw/zinc/61/75/39/1170617539.db2.gz	BVCBAWSJCHQALT-NEPJUHHUSA-N	-1	0	315.285	0.476	20	30		DCEDRM
N#Cc1cccnc1N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001608221149	1170618262	/nfs/dbraw/zinc/61/82/62/1170618262.db2.gz	COWICMKWDKPYAN-ZBAXXZLZSA-N	-1	0	314.345	0.981	20	30		DCEDRM
N#Cc1cnc(N2CC(c3cc(C(=O)[O-])n[nH]3)C2)c([N+](=O)[O-])c1	ZINC001608222378	1170618283	/nfs/dbraw/zinc/61/82/83/1170618283.db2.gz	CGNUWJYWWXLFND-UHFFFAOYSA-N	-1	0	314.261	0.887	20	30		DCEDRM
C#C[C@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)c1ccccc1	ZINC001609057762	1170794445	/nfs/dbraw/zinc/79/44/45/1170794445.db2.gz	FEECOFSRUPUCGM-LBPRGKRZSA-N	-1	0	313.317	0.650	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC001609079048	1170802516	/nfs/dbraw/zinc/80/25/16/1170802516.db2.gz	VDWREVYFCMYYOF-BXKDBHETSA-N	-1	0	314.297	0.264	20	30		DCEDRM
CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cnon2)o1	ZINC001609081477	1170802810	/nfs/dbraw/zinc/80/28/10/1170802810.db2.gz	RQWBZLVZBJCYAY-UHFFFAOYSA-N	-1	0	303.286	0.981	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC001609137338	1170822857	/nfs/dbraw/zinc/82/28/57/1170822857.db2.gz	NFDANKQVNDCHDL-UHFFFAOYSA-N	-1	0	320.301	0.432	20	30		DCEDRM
C#CCNC(=O)[C@H](C)N1CCN(c2ccc(C(=O)[O-])s2)CC1	ZINC001609159051	1170834443	/nfs/dbraw/zinc/83/44/43/1170834443.db2.gz	UKHBYWKTNLGWCS-NSHDSACASA-N	-1	0	321.402	0.706	20	30		DCEDRM
C=C(C)CN(CC)C(=O)CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001609226845	1170882317	/nfs/dbraw/zinc/88/23/17/1170882317.db2.gz	XYKBMJRQMMMUQH-LBPRGKRZSA-N	-1	0	321.381	0.648	20	30		DCEDRM
C=C[C@H](COC)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001609266895	1170903894	/nfs/dbraw/zinc/90/38/94/1170903894.db2.gz	FNFAIEANJPQQGR-SNVBAGLBSA-N	-1	0	315.347	0.629	20	30		DCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001609324551	1170936116	/nfs/dbraw/zinc/93/61/16/1170936116.db2.gz	BLJUEZYBLTWUSE-LBPRGKRZSA-N	-1	0	313.375	0.919	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)nn1	ZINC001609345978	1170946361	/nfs/dbraw/zinc/94/63/61/1170946361.db2.gz	UKOMCYHYAIHMIU-LBPRGKRZSA-N	-1	0	308.338	0.152	20	30		DCEDRM
COc1nccnc1CN=Nc1oc(C)nc1-c1nnn[n-]1	ZINC001609366248	1170950314	/nfs/dbraw/zinc/95/03/14/1170950314.db2.gz	HKRCQCIAGQIKES-UHFFFAOYSA-N	-1	0	301.270	0.408	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])C1	ZINC001609407237	1170970722	/nfs/dbraw/zinc/97/07/22/1170970722.db2.gz	UOTDWDKLKDKLSX-VXGBXAGGSA-N	-1	0	310.350	0.256	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)[O-]	ZINC001609432262	1170974059	/nfs/dbraw/zinc/97/40/59/1170974059.db2.gz	KZIVKCCOHHYKLU-STQMWFEESA-N	-1	0	319.313	0.540	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CCOCC(F)(F)F	ZINC001609445332	1170980788	/nfs/dbraw/zinc/98/07/88/1170980788.db2.gz	BJSPGBSWFDGACB-UHFFFAOYSA-N	-1	0	301.232	0.822	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1nc(C)c(C)s1)C(=O)[O-]	ZINC001609452758	1170982913	/nfs/dbraw/zinc/98/29/13/1170982913.db2.gz	WNNIJEHDGYHTSV-SECBINFHSA-N	-1	0	320.392	0.694	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC001609488705	1170995302	/nfs/dbraw/zinc/99/53/02/1170995302.db2.gz	IEOQSCVZDUKDQJ-VIFPVBQESA-N	-1	0	301.320	0.339	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001609672650	1171063035	/nfs/dbraw/zinc/06/30/35/1171063035.db2.gz	GMKYNUGMVCDYEE-SNVBAGLBSA-N	-1	0	304.368	0.432	20	30		DCEDRM
CC(C)C(=O)Nc1cc(C(=O)N(CC#N)CC(=O)[O-])ccn1	ZINC001609682726	1171066558	/nfs/dbraw/zinc/06/65/58/1171066558.db2.gz	HODLKPZQJIFTCD-UHFFFAOYSA-N	-1	0	304.306	0.726	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1csc(C#N)c1)C(=O)[O-]	ZINC001609702431	1171070427	/nfs/dbraw/zinc/07/04/27/1171070427.db2.gz	GWSJYMSTPWZLCC-NSHDSACASA-N	-1	0	323.374	0.965	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCC2(CC#N)CC2)C1	ZINC001609814837	1171093295	/nfs/dbraw/zinc/09/32/95/1171093295.db2.gz	MTDPCXVVVMMTBR-AWEZNQCLSA-N	-1	0	307.350	0.510	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N(CC(=O)[O-])C1CCCC1	ZINC001610000082	1171133363	/nfs/dbraw/zinc/13/33/63/1171133363.db2.gz	HWSDPVZUGXBZQE-UHFFFAOYSA-N	-1	0	303.384	0.796	20	30		DCEDRM
Cc1c(N[C@@H](C(N)=O)c2ccc(C#N)cc2)cnn1CC(=O)[O-]	ZINC001610426432	1171234284	/nfs/dbraw/zinc/23/42/84/1171234284.db2.gz	WBNYFPZMZQNKIA-CQSZACIVSA-N	-1	0	313.317	0.786	20	30		DCEDRM
Cn1c(N[C@@H](CC(C)(C)C)C(=O)[O-])c(C#N)c(=O)n(C)c1=O	ZINC001610598494	1171262655	/nfs/dbraw/zinc/26/26/55/1171262655.db2.gz	WDIZRMKWMNXIQY-VIFPVBQESA-N	-1	0	308.338	0.257	20	30		DCEDRM
N#CCN(CCS(=O)(=O)c1ccc(F)cc1)CC(=O)[O-]	ZINC001610622598	1171271230	/nfs/dbraw/zinc/27/12/30/1171271230.db2.gz	BWDRYVLITURKIQ-UHFFFAOYSA-N	-1	0	300.311	0.510	20	30		DCEDRM
N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001610632181	1171272159	/nfs/dbraw/zinc/27/21/59/1171272159.db2.gz	FUZFRQUUNCNXEV-OLZOCXBDSA-N	-1	0	305.290	0.876	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1	ZINC001610631182	1171272535	/nfs/dbraw/zinc/27/25/35/1171272535.db2.gz	QWSJJSSJDGAPCD-AWEZNQCLSA-N	-1	0	305.265	0.522	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1	ZINC001610629024	1171272927	/nfs/dbraw/zinc/27/29/27/1171272927.db2.gz	DTGPCBNZYREABS-HNNXBMFYSA-N	-1	0	318.329	0.621	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2nnc(-c3ccccc3)[nH]2)c(C#N)c1=O	ZINC001611926767	1171357798	/nfs/dbraw/zinc/35/77/98/1171357798.db2.gz	KJKQQRIREKLOGA-UHFFFAOYSA-N	-1	0	323.316	0.342	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ncn(-c3ccccc3)n2)c(C#N)c1=O	ZINC001612426224	1171361894	/nfs/dbraw/zinc/36/18/94/1171361894.db2.gz	VGFJPWWDFLMDQZ-UHFFFAOYSA-N	-1	0	323.316	0.138	20	30		DCEDRM
CN1C(=O)CN([N-]S(=O)(=O)c2ccc(CCC#N)cc2)C1=O	ZINC001622015726	1171417949	/nfs/dbraw/zinc/41/79/49/1171417949.db2.gz	SKVLHJBAZFSOLE-UHFFFAOYSA-N	-1	0	322.346	0.230	20	30		DCEDRM
C#CCN(CC#CC)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001628846976	1171537946	/nfs/dbraw/zinc/53/79/46/1171537946.db2.gz	HICMPAWVESHXEP-UHFFFAOYSA-N	-1	0	310.313	0.365	20	30		DCEDRM
C#CC[C@@H]1CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1	ZINC001630401800	1171570602	/nfs/dbraw/zinc/57/06/02/1171570602.db2.gz	TVTPWVCULKFWNE-LLVKDONJSA-N	-1	0	312.329	0.752	20	30		DCEDRM
COCCCNC(=O)CN(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001631253853	1171590759	/nfs/dbraw/zinc/59/07/59/1171590759.db2.gz	ABBGAMREFHWGPY-UHFFFAOYSA-N	-1	0	320.349	0.192	20	30		DCEDRM
N#Cc1cc(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)ccn1	ZINC001634630887	1171681335	/nfs/dbraw/zinc/68/13/35/1171681335.db2.gz	GXXPZCYWESHSCC-UHFFFAOYSA-N	-1	0	320.316	0.272	20	30		DCEDRM
N#CCc1cccc(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)n1	ZINC001636656387	1171745207	/nfs/dbraw/zinc/74/52/07/1171745207.db2.gz	GAICRWUQKNVCMA-UHFFFAOYSA-N	-1	0	320.316	0.788	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCc1nnc2ccccn21	ZINC001645673224	1172096781	/nfs/dbraw/zinc/09/67/81/1172096781.db2.gz	MLEVZWPMQXCOEY-UHFFFAOYSA-N	-1	0	322.328	0.983	20	30		DCEDRM
CN(C)S(=O)(=O)c1cc(C([O-])=C(C#N)c2ccncn2)co1	ZINC001646848672	1172562515	/nfs/dbraw/zinc/56/25/15/1172562515.db2.gz	ICKRHBLAYDIYOO-JTQLQIEISA-N	-1	0	320.330	0.810	20	30		DCEDRM
CCC1(CC)[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C[C@@H]1OC	ZINC001647630428	1173007981	/nfs/dbraw/zinc/00/79/81/1173007981.db2.gz	KIUVXSPKIKZOFG-MNOVXSKESA-N	-1	0	306.366	0.951	20	30		DCEDRM
C=CC[S@@](=O)(=NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1	ZINC001648461695	1173075510	/nfs/dbraw/zinc/07/55/10/1173075510.db2.gz	OTXCYVIMNZSHNO-QFIPXVFZSA-N	-1	0	322.346	0.929	20	30		DCEDRM
COc1c(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)c(C)nn1C	ZINC001649880421	1173279124	/nfs/dbraw/zinc/27/91/24/1173279124.db2.gz	JGFKTUMGPGVDGL-SSDOTTSWSA-N	-1	0	300.340	0.092	20	30		DCEDRM
CS[C@H]1CC[C@H](N(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001649949196	1173330442	/nfs/dbraw/zinc/33/04/42/1173330442.db2.gz	MHSHRNCYYCUEFC-QWRGUYRKSA-N	-1	0	322.390	0.563	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCO[C@@H](CC(F)(F)F)C2)c(C#N)c1=O	ZINC001650227467	1173523624	/nfs/dbraw/zinc/52/36/24/1173523624.db2.gz	CHNBLXROCOAYSZ-ZETCQYMHSA-N	-1	0	318.255	0.103	20	30		DCEDRM
CON(C)C1CN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C1	ZINC001652821389	1173777799	/nfs/dbraw/zinc/77/77/99/1173777799.db2.gz	UISCLBYOMMEJEK-UHFFFAOYSA-N	-1	0	308.363	0.698	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCC(=O)OC(C)(C)C)c(C#N)c1=O	ZINC001655603871	1173824050	/nfs/dbraw/zinc/82/40/50/1173824050.db2.gz	JIKWAHGVAPFJHB-UHFFFAOYSA-N	-1	0	308.338	0.479	20	30		DCEDRM
CCn1c(Cn2c(=O)[n-]cc(C#N)c2=O)nc2c1cccc2F	ZINC001656660236	1173875774	/nfs/dbraw/zinc/87/57/74/1173875774.db2.gz	KRHJLZCXMRBMPM-UHFFFAOYSA-N	-1	0	313.292	0.965	20	30		DCEDRM
C=C(C)[C@H](CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)OCC	ZINC001665293813	1174502408	/nfs/dbraw/zinc/50/24/08/1174502408.db2.gz	LESIYFMNASPJOJ-LBPRGKRZSA-N	-1	0	323.397	0.430	20	30		DCEDRM
CO[N-]C(=O)CNS(=O)(=O)c1cccc(Cl)c1C#N	ZINC001671914786	1175044456	/nfs/dbraw/zinc/04/44/56/1175044456.db2.gz	IHKINAHWRPZSDU-UHFFFAOYSA-N	-1	0	303.727	0.168	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCC[C@@H](C)NC(=O)[C@H](C)C#N)c1[O-]	ZINC001679463741	1175732908	/nfs/dbraw/zinc/73/29/08/1175732908.db2.gz	ZQUJLDXAYQVZKM-RKDXNWHRSA-N	-1	0	307.354	0.598	20	30		DCEDRM
C=CC[C@@H](CC)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001686285238	1176059884	/nfs/dbraw/zinc/05/98/84/1176059884.db2.gz	YCFZBNPNFPANHB-LLVKDONJSA-N	-1	0	305.338	0.474	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCCN2C(=O)C#CC(C)C)c1[O-]	ZINC001688437359	1176494137	/nfs/dbraw/zinc/49/41/37/1176494137.db2.gz	PNUAYGOVERAOQM-GFCCVEGCSA-N	-1	0	318.377	0.804	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001690381583	1177231233	/nfs/dbraw/zinc/23/12/33/1177231233.db2.gz	QOKBUYFZGJGTAJ-GFCCVEGCSA-N	-1	0	319.409	0.888	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001700118513	1178484930	/nfs/dbraw/zinc/48/49/30/1178484930.db2.gz	HXXICVKJOXTKAB-SNVBAGLBSA-N	-1	0	309.370	0.040	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](CNC(=O)C#CC2CC2)C2CC2)c1[O-]	ZINC001703837733	1179692709	/nfs/dbraw/zinc/69/27/09/1179692709.db2.gz	OOAZZAYHUXLLNN-GFCCVEGCSA-N	-1	0	316.361	0.462	20	30		DCEDRM
N#CCN[C@H]1CC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1	ZINC001714302489	1181313015	/nfs/dbraw/zinc/31/30/15/1181313015.db2.gz	WWFPFTMKNZTDND-XYPYZODXSA-N	-1	0	322.369	0.010	20	30		DCEDRM
C#CCN(C(=O)[C@H](C)CC)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001724038343	1184371978	/nfs/dbraw/zinc/37/19/78/1184371978.db2.gz	WCOPWMQQLWMXHT-GFCCVEGCSA-N	-1	0	319.409	0.983	20	30		DCEDRM
CC#CCN1CCC[C@@](CO)(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001724634303	1184484456	/nfs/dbraw/zinc/48/44/56/1184484456.db2.gz	CPABTMXUHJOPEI-OAHLLOKOSA-N	-1	0	306.366	0.004	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NCCN(CC)C(=O)c1n[nH]c(C)c1[O-]	ZINC001759002704	1190064498	/nfs/dbraw/zinc/06/44/98/1190064498.db2.gz	LNKAZEYIRRYJOV-LLVKDONJSA-N	-1	0	322.365	0.040	20	30		DCEDRM
CO[C@H]1CCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2C)C1	ZINC001772154858	1190616384	/nfs/dbraw/zinc/61/63/84/1190616384.db2.gz	LGHRPXQSWHHHTK-NSHDSACASA-N	-1	0	300.322	0.679	20	30		DCEDRM
C=CCN1CC(N(C)C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC001043243701	752150212	/nfs/dbraw/zinc/15/02/12/752150212.db2.gz	SXIRIAKCJOKYQZ-UHFFFAOYSA-N	-1	0	306.410	0.704	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CNc2ccc(C#N)nc2)c1[O-]	ZINC001107688464	752221797	/nfs/dbraw/zinc/22/17/97/752221797.db2.gz	JSSZUVXMPZASLC-MRVPVSSYSA-N	-1	0	300.322	0.921	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CNc2cnc(C#N)cn2)c1[O-]	ZINC001107689078	752222455	/nfs/dbraw/zinc/22/24/55/752222455.db2.gz	RCBZGLHWXDYZMJ-SSDOTTSWSA-N	-1	0	301.310	0.316	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(C#N)cn2)c1[O-]	ZINC001112990959	762074897	/nfs/dbraw/zinc/07/48/97/762074897.db2.gz	NCMFWMKNTDKTHA-YUMQZZPRSA-N	-1	0	315.337	0.704	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCNc2cnc(C#N)cn2)c1[O-]	ZINC001106283443	751085710	/nfs/dbraw/zinc/08/57/10/751085710.db2.gz	KUORHQOTDGCAJW-QMMMGPOBSA-N	-1	0	315.337	0.706	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)Nc2ccc(C#N)nn2)c1[O-]	ZINC001097803433	755749343	/nfs/dbraw/zinc/74/93/43/755749343.db2.gz	GLVFQBRBWSDQKM-ZETCQYMHSA-N	-1	0	301.310	0.316	20	30		DCEDRM
C=CCNc1ncc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)s1	ZINC001170382188	762631222	/nfs/dbraw/zinc/63/12/22/762631222.db2.gz	FEGREMFRNYQVEA-QMMMGPOBSA-N	-1	0	321.366	0.468	20	30		DCEDRM
C=CCN1CCOC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001051207715	758513128	/nfs/dbraw/zinc/51/31/28/758513128.db2.gz	VENOPKRCYAXDOR-SNVBAGLBSA-N	-1	0	318.333	0.545	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)c1[O-]	ZINC001058328840	759894964	/nfs/dbraw/zinc/89/49/64/759894964.db2.gz	YOLLBZUNZAYSBS-VIFPVBQESA-N	-1	0	313.321	0.094	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C(F)=C2CCCC2)c(=O)[n-]c1=O	ZINC001148392801	767970411	/nfs/dbraw/zinc/97/04/11/767970411.db2.gz	JHYYSHHSYLUKII-UHFFFAOYSA-N	-1	0	306.297	0.734	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCCNc2cnc(C#N)cn2)c1[O-]	ZINC001109413647	761402449	/nfs/dbraw/zinc/40/24/49/761402449.db2.gz	ZYLKUYRLLYMPRC-UHFFFAOYSA-N	-1	0	315.337	0.660	20	30		DCEDRM
CCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1nccnc1C#N	ZINC001100502892	763616899	/nfs/dbraw/zinc/61/68/99/763616899.db2.gz	FOLCLJCRTAWDAU-UHFFFAOYSA-N	-1	0	315.337	0.342	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCNc2ccc(C#N)nc2)c1[O-]	ZINC001101555217	764153682	/nfs/dbraw/zinc/15/36/82/764153682.db2.gz	JOGAALOAPIQLKB-UHFFFAOYSA-N	-1	0	300.322	0.875	20	30		DCEDRM
COC(=O)c1nc(=N[C@@H](C)CN(C)C(=O)C#CC2CC2)cc[n-]1	ZINC001115714486	765803233	/nfs/dbraw/zinc/80/32/33/765803233.db2.gz	JWWQBGLRNLJCPM-NSHDSACASA-N	-1	0	316.361	0.357	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(Nc3ccncc3C#N)CC2)c1[O-]	ZINC001110108345	766586527	/nfs/dbraw/zinc/58/65/27/766586527.db2.gz	PQYQCPJQCMBFIF-UHFFFAOYSA-N	-1	0	312.333	0.487	20	30		DCEDRM
C=CCOC(=O)[C@@H](N)CCCCNc1ccc(C(=O)[O-])nn1	ZINC001171070831	766612422	/nfs/dbraw/zinc/61/24/22/766612422.db2.gz	KPKSKARSMHRGET-JTQLQIEISA-N	-1	0	308.338	0.814	20	30		DCEDRM
N#Cc1cc(C(=O)NCC2CC([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c[nH]1	ZINC001090990276	766804947	/nfs/dbraw/zinc/80/49/47/766804947.db2.gz	AKVONESPFZPVKI-UHFFFAOYSA-N	-1	0	315.337	0.008	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@H](OC)CC[C@H]1C	ZINC001121561485	767591930	/nfs/dbraw/zinc/59/19/30/767591930.db2.gz	DRHCUSMJKDHPMO-GHMZBOCLSA-N	-1	0	318.381	0.692	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@@H](OC)CC2	ZINC001122428068	767800223	/nfs/dbraw/zinc/80/02/23/767800223.db2.gz	SDPDXXNBCNRSRW-QWRGUYRKSA-N	-1	0	302.334	0.469	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccn(C2CCOCC2)n1	ZINC001122515330	767822190	/nfs/dbraw/zinc/82/21/90/767822190.db2.gz	BCQVMKKEZPHTHX-GFCCVEGCSA-N	-1	0	302.334	0.836	20	30		DCEDRM
CON=Cc1ccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)cc1	ZINC001149276995	768722509	/nfs/dbraw/zinc/72/25/09/768722509.db2.gz	HZNMFIXEEIGMJQ-UHFFFAOYSA-N	-1	0	302.290	0.798	20	30		DCEDRM
COC(=O)C[C@@H](C#N)c1ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc1	ZINC001230993767	769149152	/nfs/dbraw/zinc/14/91/52/769149152.db2.gz	CLMBIJASPNHZEE-JQWIXIFHSA-N	-1	0	321.285	0.598	20	30		DCEDRM
C#C[C@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C(=O)OCC	ZINC001231076022	769165813	/nfs/dbraw/zinc/16/58/13/769165813.db2.gz	KBJQZLXPMQWFPB-YFKPBYRVSA-N	-1	0	301.642	0.688	20	30		DCEDRM
CN1CCN(C2CN(Cc3cc(C#N)ccc3[O-])C2)CC1=O	ZINC001232677669	769330885	/nfs/dbraw/zinc/33/08/85/769330885.db2.gz	GPJMMQHEPKOPNO-UHFFFAOYSA-N	-1	0	300.362	0.222	20	30		DCEDRM
C=CCOCCN1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001233633543	769414986	/nfs/dbraw/zinc/41/49/86/769414986.db2.gz	BHOCQFUVKBEQLA-GFCCVEGCSA-N	-1	0	308.382	0.773	20	30		DCEDRM
CC#CCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC	ZINC001213303725	769503653	/nfs/dbraw/zinc/50/36/53/769503653.db2.gz	WVJITEADNAWOSD-VXGBXAGGSA-N	-1	0	321.381	0.019	20	30		DCEDRM
COC(=O)C1=NC(C(=O)OC)C([O-])=C1O[C@H]1CCN(CC#N)C1	ZINC001234355634	769634344	/nfs/dbraw/zinc/63/43/44/769634344.db2.gz	RXTNVAUQEFWGRG-QMMMGPOBSA-N	-1	0	323.305	0.270	20	30		DCEDRM
CC(C)(C)C(=O)Nc1ccc(C#N)nc1N[C@@H]1CO[N-]C1=O	ZINC001156694180	770896863	/nfs/dbraw/zinc/89/68/63/770896863.db2.gz	BVGZNGKUQCHQIW-SNVBAGLBSA-N	-1	0	303.322	0.780	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@@H]1COC(C)(C)O1	ZINC001206380810	771006869	/nfs/dbraw/zinc/00/68/69/771006869.db2.gz	NYGUNIAFPBXXJU-MNOVXSKESA-N	-1	0	310.368	0.614	20	30		DCEDRM
N#C[C@@H](Cc1ccc(O)cc1)C(=O)NC1C(=O)N=CN=C1[O-]	ZINC001183605487	771673844	/nfs/dbraw/zinc/67/38/44/771673844.db2.gz	NPAADZMAWOWWGG-SECBINFHSA-N	-1	0	300.274	0.914	20	30		DCEDRM
COC(=O)C[C@H]1CN(C(=O)CCC(=O)C2=CC=C[CH]2)CCO1	ZINC001184244112	771763023	/nfs/dbraw/zinc/76/30/23/771763023.db2.gz	PTGBSIGMTHLNBI-ZDUSSCGKSA-N	-1	0	306.338	0.827	20	30		DCEDRM
CCOC(=O)c1sc(S(=O)(=O)[N-][C@H](C)C#N)nc1C	ZINC001184988388	771853419	/nfs/dbraw/zinc/85/34/19/771853419.db2.gz	DFOLGGIMOCPTRX-ZCFIWIBFSA-N	-1	0	303.365	0.819	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(F)cc1F	ZINC001189845418	772552448	/nfs/dbraw/zinc/55/24/48/772552448.db2.gz	IBKDIURQGOSCJF-LLVKDONJSA-N	-1	0	318.301	0.839	20	30		DCEDRM
COc1nc(S(=O)(=O)[N-]c2cnc(C#N)nc2)ccc1F	ZINC001190063037	772580944	/nfs/dbraw/zinc/58/09/44/772580944.db2.gz	JHGATGZDHKGDSQ-UHFFFAOYSA-N	-1	0	309.282	0.692	20	30		DCEDRM
CN1CCC(C#N)([N-]S(=O)(=O)c2ncc(F)cc2F)CC1	ZINC001190213783	772608492	/nfs/dbraw/zinc/60/84/92/772608492.db2.gz	HUFHGJMMIYWRNC-UHFFFAOYSA-N	-1	0	316.333	0.626	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CO)C(F)(F)F)c1	ZINC001190669636	772652426	/nfs/dbraw/zinc/65/24/26/772652426.db2.gz	VTQKLUVNFODPCA-VIFPVBQESA-N	-1	0	312.244	0.899	20	30		DCEDRM
C=CCOC(=O)[C@@H](NS(=O)(=O)c1ncc[n-]1)[C@@H](C)CC	ZINC001190746546	772673142	/nfs/dbraw/zinc/67/31/42/772673142.db2.gz	ZNGNSCCJVRPFBU-UWVGGRQHSA-N	-1	0	301.368	0.832	20	30		DCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1	ZINC001192663154	772949344	/nfs/dbraw/zinc/94/93/44/772949344.db2.gz	AXLBPEPQPLMVII-VIFPVBQESA-N	-1	0	315.347	0.609	20	30		DCEDRM
COC(=O)C[C@H]([N-]S(=O)(=O)[C@@H](C)C#N)C(=O)OC(C)(C)C	ZINC001193172450	773013464	/nfs/dbraw/zinc/01/34/64/773013464.db2.gz	BGLLRGLEVNXXQB-IUCAKERBSA-N	-1	0	320.367	0.091	20	30		DCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2cccnc2OC)c(C#C)n1	ZINC001194679349	773231294	/nfs/dbraw/zinc/23/12/94/773231294.db2.gz	PQCOJRGIEZNTES-UHFFFAOYSA-N	-1	0	314.326	0.644	20	30		DCEDRM
O=C(N[C@@H]1CO[N-]C1=O)c1ccc(C#CBr)cc1	ZINC001194817459	773265786	/nfs/dbraw/zinc/26/57/86/773265786.db2.gz	JEIBMUPXRGENHB-SNVBAGLBSA-N	-1	0	309.119	0.550	20	30		DCEDRM
CCOC(=O)[C@H]1CN(C(=O)c2ccc(C#N)cc2[O-])CCO1	ZINC001195741526	773474069	/nfs/dbraw/zinc/47/40/69/773474069.db2.gz	MTNWCSBJNLLTGU-CYBMUJFWSA-N	-1	0	304.302	0.668	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccsc1C(=O)N1CCOC[C@H]1C#N	ZINC001196730609	773641757	/nfs/dbraw/zinc/64/17/57/773641757.db2.gz	AOAXOMGUHADHQX-MRVPVSSYSA-N	-1	0	315.376	0.484	20	30		DCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)Cc1cccnc1	ZINC001197422892	773745861	/nfs/dbraw/zinc/74/58/61/773745861.db2.gz	XWNKRFJPSZPXCC-UHFFFAOYSA-N	-1	0	314.330	0.938	20	30		DCEDRM
Cc1ccc(S(=O)(=O)NCC(=O)CCC(=O)[O-])cc1C#N	ZINC001201337203	774495831	/nfs/dbraw/zinc/49/58/31/774495831.db2.gz	RPZWEPBQNXWVNE-UHFFFAOYSA-N	-1	0	310.331	0.579	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2oncc2C#N)c1	ZINC001201843737	774565091	/nfs/dbraw/zinc/56/50/91/774565091.db2.gz	LDWXPHQEZWJPSF-UHFFFAOYSA-N	-1	0	308.275	0.529	20	30		DCEDRM
C=C(C)C(=O)OCC(COC(=O)C(=C)C)OCc1nnn[n-]1	ZINC001223029396	775453233	/nfs/dbraw/zinc/45/32/33/775453233.db2.gz	KXYBRPUZRYUMIW-UHFFFAOYSA-N	-1	0	310.310	0.324	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(=O)N(C)C1CC1	ZINC001224304908	775556846	/nfs/dbraw/zinc/55/68/46/775556846.db2.gz	WPJKFFPNQOXIKT-NSHDSACASA-N	-1	0	307.368	0.083	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001225631555	775701330	/nfs/dbraw/zinc/70/13/30/775701330.db2.gz	PGFDDWZHDBKWHF-NSHDSACASA-N	-1	0	323.397	0.430	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Oc2c([O-])c(=O)c2=O)C1	ZINC001226602204	775844481	/nfs/dbraw/zinc/84/44/81/775844481.db2.gz	KARUQZKJKDJOMT-JGVFFNPUSA-N	-1	0	308.290	0.126	20	30		DCEDRM
COc1c(Cl)cnc(OC(=O)[C@H](O)CC(=O)[O-])c1C#N	ZINC001227558813	775984190	/nfs/dbraw/zinc/98/41/90/775984190.db2.gz	FQBDIZJQDUIQRE-SSDOTTSWSA-N	-1	0	300.654	0.356	20	30		DCEDRM
CSc1nc(O[C@H]2CCN(CC#N)C2)c([N+](=O)[O-])c(=O)[n-]1	ZINC001227629530	775992978	/nfs/dbraw/zinc/99/29/78/775992978.db2.gz	VXOYUXFNSMJWFE-ZETCQYMHSA-N	-1	0	311.323	0.789	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114791451	776128782	/nfs/dbraw/zinc/12/87/82/776128782.db2.gz	FDMQBWOYTSBKLS-GOMXZESMSA-N	-1	0	305.382	0.659	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccccc1/C=N/N	ZINC001229293398	776178154	/nfs/dbraw/zinc/17/81/54/776178154.db2.gz	NQJWIBVORBSHRY-AAWHYMEISA-N	-1	0	314.363	0.817	20	30		DCEDRM
N#CC1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCCC1	ZINC001601056300	1168578299	/nfs/dbraw/zinc/57/82/99/1168578299.db2.gz	WONPXFJSQYMQII-UHFFFAOYSA-N	-1	0	312.351	0.330	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)CCO1	ZINC001601062527	1168580073	/nfs/dbraw/zinc/58/00/73/1168580073.db2.gz	HTPSQVYCBIXIAB-SNVBAGLBSA-N	-1	0	302.352	0.186	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1	ZINC001602730562	1169175133	/nfs/dbraw/zinc/17/51/33/1169175133.db2.gz	QVZNYJQUXFVYKU-UHFFFAOYSA-N	-1	0	315.322	0.381	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)OC	ZINC001602909404	1169202674	/nfs/dbraw/zinc/20/26/74/1169202674.db2.gz	VAIKVGDPJQVSKI-VIFPVBQESA-N	-1	0	311.290	0.760	20	30		DCEDRM
C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCC(=O)NCC#N)cc1	ZINC001603209411	1169275875	/nfs/dbraw/zinc/27/58/75/1169275875.db2.gz	ORHJZOIFVOKULV-SECBINFHSA-N	-1	0	304.306	0.636	20	30		DCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccncc2C#N)nc1	ZINC001244335194	945261399	/nfs/dbraw/zinc/26/13/99/945261399.db2.gz	YEOOCHIJDCKQEZ-UHFFFAOYSA-N	-1	0	302.315	0.840	20	30		DCEDRM
CC(C)(NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(F)F	ZINC001362854479	940775684	/nfs/dbraw/zinc/77/56/84/940775684.db2.gz	JPKQECLPQZIINZ-UHFFFAOYSA-N	-1	0	300.265	0.371	20	30		DCEDRM
C#CCN1CC2(CN(C(=O)c3ccccc3[S-])C2)OCC1=O	ZINC001269956677	940806065	/nfs/dbraw/zinc/80/60/65/940806065.db2.gz	JJRISIWKEVJCMU-UHFFFAOYSA-N	-1	0	316.382	0.662	20	30		DCEDRM
CC#CC(=O)N1CCc2onc(C(=O)[N-]c3nnco3)c2C1	ZINC001271090615	941257749	/nfs/dbraw/zinc/25/77/49/941257749.db2.gz	QACJQLGTQGAFTJ-UHFFFAOYSA-N	-1	0	301.262	0.218	20	30		DCEDRM
C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1cc(=O)n(C)[n-]1	ZINC001272353813	942711130	/nfs/dbraw/zinc/71/11/30/942711130.db2.gz	GBQRGHSQTGOKBO-MRXNPFEDSA-N	-1	0	318.377	0.909	20	30		DCEDRM
N#Cc1ccc(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cn1	ZINC001601097810	970931763	/nfs/dbraw/zinc/93/17/63/970931763.db2.gz	DVCSUVGVOLISNA-CQSZACIVSA-N	-1	0	310.313	0.703	20	30		DCEDRM
N#CCOc1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1	ZINC001611291416	970978841	/nfs/dbraw/zinc/97/88/41/970978841.db2.gz	XVYCNSGYCUQYMN-CYBMUJFWSA-N	-1	0	324.358	0.273	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCc2nnc(C)[nH]2)cc1C#N	ZINC001413770687	943678087	/nfs/dbraw/zinc/67/80/87/943678087.db2.gz	IKZWAUPXZGFXBH-UHFFFAOYSA-N	-1	0	304.335	0.737	20	30		DCEDRM
N#Cc1ccc2[n-]c(C(=O)Nc3oncc3C(N)=O)cc(=O)c2c1	ZINC001154552997	944151814	/nfs/dbraw/zinc/15/18/14/944151814.db2.gz	JUDOZHCEGJVQKI-UHFFFAOYSA-N	-1	0	323.268	0.739	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCCCCC(N)=O	ZINC001210101280	944260121	/nfs/dbraw/zinc/26/01/21/944260121.db2.gz	CLOQQLFISULMGH-LLVKDONJSA-N	-1	0	309.384	0.508	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)C2(C(N)=O)CC2)n1	ZINC001318646080	945419470	/nfs/dbraw/zinc/41/94/70/945419470.db2.gz	COCUNPLBFSUOOR-QMMMGPOBSA-N	-1	0	307.331	0.437	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)[N-]O[C@@H]2CCCCO2)nn1CCC#N	ZINC001320618675	945952692	/nfs/dbraw/zinc/95/26/92/945952692.db2.gz	LFYONYHUIJNABY-GFCCVEGCSA-N	-1	0	321.337	0.618	20	30		DCEDRM
O=CCOCCOCCOCCn1cc(C2=CC=C[CH]2)nn1	ZINC001254074834	946309753	/nfs/dbraw/zinc/30/97/53/946309753.db2.gz	GTLLVYQYOYZWOT-UHFFFAOYSA-N	-1	0	306.342	0.684	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-]	ZINC001321658144	946417821	/nfs/dbraw/zinc/41/78/21/946417821.db2.gz	PFBSXYCCDIVYBL-UWVGGRQHSA-N	-1	0	301.364	0.347	20	30		DCEDRM
N#CCCSc1ccccc1NC(=O)C(=O)[N-]OCC(N)=O	ZINC001255532170	946522413	/nfs/dbraw/zinc/52/24/13/946522413.db2.gz	VSZKEWJNSPHVBL-UHFFFAOYSA-N	-1	0	322.346	0.164	20	30		DCEDRM
C#C[C@@H](NC(=O)NCCOCCOCC(=O)[O-])C(C)(C)C	ZINC001602673654	971241525	/nfs/dbraw/zinc/24/15/25/971241525.db2.gz	ZEPASEIYPBTYMP-LLVKDONJSA-N	-1	0	300.355	0.451	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C1	ZINC001602674903	971243521	/nfs/dbraw/zinc/24/35/21/971243521.db2.gz	DVUTWKIOBCSFQX-MCIONIFRSA-N	-1	0	320.389	0.818	20	30		DCEDRM
C#CCN(CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)[O-]	ZINC001602678874	971258332	/nfs/dbraw/zinc/25/83/32/971258332.db2.gz	IIZDBUWSUQFPAI-UHFFFAOYSA-N	-1	0	310.309	0.306	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(-c2ccc(F)cc2)n1	ZINC001602692523	971303154	/nfs/dbraw/zinc/30/31/54/971303154.db2.gz	SCRUOYOGESQLNR-UHFFFAOYSA-N	-1	0	302.265	0.566	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2nc(C#N)c(C#N)nc2Cl)cn1	ZINC001259821406	946989526	/nfs/dbraw/zinc/98/95/26/946989526.db2.gz	XTJGOIJKMSVJCI-UHFFFAOYSA-N	-1	0	323.725	0.408	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]c2ncnc(OC)c2C#N)cn1	ZINC001259833279	946996727	/nfs/dbraw/zinc/99/67/27/946996727.db2.gz	MSGOPQPOILDNDZ-UHFFFAOYSA-N	-1	0	308.323	0.374	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)ncn2C	ZINC001602699389	971316679	/nfs/dbraw/zinc/31/66/79/971316679.db2.gz	QLKUUAWYUDVRTF-UHFFFAOYSA-N	-1	0	307.331	0.282	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2nc(C)cs2)n1C	ZINC001602700584	971318777	/nfs/dbraw/zinc/31/87/77/971318777.db2.gz	AFGSUHXXEGTWHB-UHFFFAOYSA-N	-1	0	305.363	0.695	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)OC	ZINC001260193867	947081400	/nfs/dbraw/zinc/08/14/00/947081400.db2.gz	YJHGRDFZBMIKQD-NSHDSACASA-N	-1	0	311.315	0.228	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1c(F)ccc(F)c1C#N	ZINC001260592832	947122439	/nfs/dbraw/zinc/12/24/39/947122439.db2.gz	SUUUZDHTIUHKIQ-UHFFFAOYSA-N	-1	0	310.303	0.580	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260961294	947160235	/nfs/dbraw/zinc/16/02/35/947160235.db2.gz	OVBPWJZTFCKUFP-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@]1(C(=O)[O-])CCCO1	ZINC001602701061	971326252	/nfs/dbraw/zinc/32/62/52/971326252.db2.gz	UNTGOHQMUWFVLW-HNNXBMFYSA-N	-1	0	311.334	0.424	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1	ZINC001261457276	947299121	/nfs/dbraw/zinc/29/91/21/947299121.db2.gz	DPPCYHRCFKLHDQ-LLVKDONJSA-N	-1	0	312.347	0.745	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(=O)OCC	ZINC001602718409	971374312	/nfs/dbraw/zinc/37/43/12/971374312.db2.gz	LULOPTOZEMDBEQ-LLVKDONJSA-N	-1	0	322.317	0.171	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC001602722988	971391952	/nfs/dbraw/zinc/39/19/52/971391952.db2.gz	FIWGIWCQTDAPLH-BMIGLBTASA-N	-1	0	324.333	0.741	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(C)c2ccccc21)C(=O)[O-]	ZINC001262177891	947592051	/nfs/dbraw/zinc/59/20/51/947592051.db2.gz	KAYGVVGDNALQCH-NEPJUHHUSA-N	-1	0	300.314	0.729	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)[N-]OCCC(F)(F)F)n1	ZINC001326822247	948291096	/nfs/dbraw/zinc/29/10/96/948291096.db2.gz	YKRMUWFZNNGZFA-UHFFFAOYSA-N	-1	0	302.212	0.892	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OC[C@H]1CCCS(=O)(=O)C1	ZINC001602781729	971525830	/nfs/dbraw/zinc/52/58/30/971525830.db2.gz	GGWOQPJVQFVALF-SKDRFNHKSA-N	-1	0	303.336	0.359	20	30		DCEDRM
N#Cc1ncc(OCC(=O)CC[N-]C(=O)C(F)(F)F)cn1	ZINC001364615161	949640334	/nfs/dbraw/zinc/64/03/34/949640334.db2.gz	WAHFWTJTISLQII-UHFFFAOYSA-N	-1	0	302.212	0.365	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)NC2(c3nnn[n-]3)CCC2)c1	ZINC001364663925	949721202	/nfs/dbraw/zinc/72/12/02/949721202.db2.gz	PUIRIXDBIATWNM-UHFFFAOYSA-N	-1	0	311.349	0.947	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2([C@H]3CCCCO3)CC2)c(=O)[n-]c1=O	ZINC001364954436	950253731	/nfs/dbraw/zinc/25/37/31/950253731.db2.gz	UHVXNKXIJDYOIF-LLVKDONJSA-N	-1	0	318.333	0.038	20	30		DCEDRM
CC(C)C[C@H]1COCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001574168472	950512089	/nfs/dbraw/zinc/51/20/89/950512089.db2.gz	VTAFCRJWRZYNPO-JTQLQIEISA-N	-1	0	314.353	0.780	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H]2COc3ccccc3O2)c(C#N)c1=O	ZINC001365206641	950735624	/nfs/dbraw/zinc/73/56/24/950735624.db2.gz	KDTCPOGVCDTJDJ-VIFPVBQESA-N	-1	0	314.301	0.197	20	30		DCEDRM
C#CCCCCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001490554539	950865687	/nfs/dbraw/zinc/86/56/87/950865687.db2.gz	QNGXRFTZFIUSOH-LBPRGKRZSA-N	-1	0	305.382	0.785	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000323800584	951052227	/nfs/dbraw/zinc/05/22/27/951052227.db2.gz	GDERFMKEGNOTRM-UONOGXRCSA-N	-1	0	323.393	0.562	20	30		DCEDRM
CN(C[C@@H](O)c1cccc(C#N)c1)S(=O)(=O)c1ncc[n-]1	ZINC001365719715	951471709	/nfs/dbraw/zinc/47/17/09/951471709.db2.gz	FSTLXWIVSHEJMZ-GFCCVEGCSA-N	-1	0	306.347	0.635	20	30		DCEDRM
NC(=O)[C@@H]1COCCC12CN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001274661560	951775177	/nfs/dbraw/zinc/77/51/77/951775177.db2.gz	MYYYNNNLXAVRPK-ZDUSSCGKSA-N	-1	0	317.365	0.387	20	30		DCEDRM
C#CCCCNC(=O)c1cc(=O)cc(C(=O)NCCCC#C)[n-]1	ZINC001333452918	952067855	/nfs/dbraw/zinc/06/78/55/952067855.db2.gz	KTJLPOBCMIRBLU-UHFFFAOYSA-N	-1	0	313.357	0.661	20	30		DCEDRM
C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ncc[n-]1	ZINC001275464694	952166840	/nfs/dbraw/zinc/16/68/40/952166840.db2.gz	JFGXRZTXMJOHIM-VXGBXAGGSA-N	-1	0	324.406	0.740	20	30		DCEDRM
C=C(C)C[NH+]1CCC(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001334962004	952424479	/nfs/dbraw/zinc/42/44/79/952424479.db2.gz	HNDQPNDCAGNMNN-HNNXBMFYSA-N	-1	0	311.382	0.570	20	30		DCEDRM
CC(C)(NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1nccs1	ZINC001411786278	952450698	/nfs/dbraw/zinc/45/06/98/952450698.db2.gz	PXXBRTAKOUUHJQ-UHFFFAOYSA-N	-1	0	319.346	0.329	20	30		DCEDRM
CO[C@@H]1CCC[C@@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001411953058	952567044	/nfs/dbraw/zinc/56/70/44/952567044.db2.gz	OREYPXLAPGGFRZ-ZYHUDNBSSA-N	-1	0	320.349	0.142	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC001412038988	952613780	/nfs/dbraw/zinc/61/37/80/952613780.db2.gz	AMZRTGQLSSDVJK-SNVBAGLBSA-N	-1	0	315.362	0.705	20	30		DCEDRM
CNC(=O)[C@H]1CCN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C1	ZINC001412193002	952686508	/nfs/dbraw/zinc/68/65/08/952686508.db2.gz	CKEJFIAPYDRSHH-QMMMGPOBSA-N	-1	0	320.374	0.589	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H](CNC(=O)[C@H](C)C#N)C2CC2)c1[O-]	ZINC001412357759	952761264	/nfs/dbraw/zinc/76/12/64/952761264.db2.gz	BXRCJHBGVWEFPS-KCJUWKMLSA-N	-1	0	319.365	0.550	20	30		DCEDRM
CCc1noc(C)c1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412370840	952767901	/nfs/dbraw/zinc/76/79/01/952767901.db2.gz	GFSKHZGFORQYER-UHFFFAOYSA-N	-1	0	317.305	0.109	20	30		DCEDRM
N#Cc1csc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001412373791	952768147	/nfs/dbraw/zinc/76/81/47/952768147.db2.gz	NFBHSYLBCUMBSB-UHFFFAOYSA-N	-1	0	315.314	0.184	20	30		DCEDRM
N#Cc1cc(C(=O)N2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)ccc1[O-]	ZINC001276155327	952950972	/nfs/dbraw/zinc/95/09/72/952950972.db2.gz	FQXUCHBJDNAXQW-UNJBNNCHSA-N	-1	0	315.329	0.103	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@@H](CC)C1	ZINC001338946247	953063603	/nfs/dbraw/zinc/06/36/03/953063603.db2.gz	NDECDNCITWQYRQ-JTQLQIEISA-N	-1	0	304.354	0.303	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@H](CC)C1	ZINC001338946248	953063738	/nfs/dbraw/zinc/06/37/38/953063738.db2.gz	NDECDNCITWQYRQ-SNVBAGLBSA-N	-1	0	304.354	0.303	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CC1=CCSC1	ZINC001340560746	953178192	/nfs/dbraw/zinc/17/81/92/953178192.db2.gz	IDEVQODCGURBKS-UHFFFAOYSA-N	-1	0	318.406	0.798	20	30		DCEDRM
CO[C@@H]1CCn2cc(C([O-])=C(C#N)C(=O)N3CCCC3)nc2C1	ZINC001341953223	953260553	/nfs/dbraw/zinc/26/05/53/953260553.db2.gz	CIGHIVGEOSCVTE-NEPJUHHUSA-N	-1	0	316.361	0.789	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OCc2nc(C)no2)nc1	ZINC001342631716	953298883	/nfs/dbraw/zinc/29/88/83/953298883.db2.gz	AYLHLUBFQRWDHO-JTQLQIEISA-N	-1	0	315.289	0.421	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(CCF)CCOC	ZINC001342912429	953314151	/nfs/dbraw/zinc/31/41/51/953314151.db2.gz	VZWFTYLXIAYDIG-UHFFFAOYSA-N	-1	0	324.360	0.501	20	30		DCEDRM
C#C[C@H](C)N(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@@H]1CCCO1	ZINC001343281674	953334305	/nfs/dbraw/zinc/33/43/05/953334305.db2.gz	CYNNDFBIXDCRKG-QWRGUYRKSA-N	-1	0	316.365	0.139	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H]2C[C@@H]2C1	ZINC001343690250	953366758	/nfs/dbraw/zinc/36/67/58/953366758.db2.gz	IIDDRAWGVJDGEG-GHMZBOCLSA-N	-1	0	300.366	0.924	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]2CN(C)C(=O)C#CC(C)C)c1[O-]	ZINC001282039276	953462765	/nfs/dbraw/zinc/46/27/65/953462765.db2.gz	YNQNCPVUIPRBDT-LBPRGKRZSA-N	-1	0	318.377	0.756	20	30		DCEDRM
CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[C@@H]1CCC[C@H]1C#N	ZINC001593675277	953916292	/nfs/dbraw/zinc/91/62/92/953916292.db2.gz	QLYSEFXZHGCNGF-SDDRHHMPSA-N	-1	0	307.350	0.460	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001347934456	954180830	/nfs/dbraw/zinc/18/08/30/954180830.db2.gz	ACQOEWJCTOURDR-SECBINFHSA-N	-1	0	312.303	0.438	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC[C@H]1C(=O)[O-]	ZINC001589365122	954183501	/nfs/dbraw/zinc/18/35/01/954183501.db2.gz	GYIJVAKLCZBDEO-GRYCIOLGSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C=C(C)[C@H](CC(=O)NCCNC(=O)c1[nH]nc(C)c1[O-])OCC	ZINC001348789055	954467383	/nfs/dbraw/zinc/46/73/83/954467383.db2.gz	RMBQDQIECHMXRP-NSHDSACASA-N	-1	0	324.381	0.641	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)C1	ZINC001348839879	954495698	/nfs/dbraw/zinc/49/56/98/954495698.db2.gz	GZOFVUCMXHUPAJ-JHJVBQTASA-N	-1	0	324.377	0.359	20	30		DCEDRM
C=CCCC(=O)N[C@@H](C)CNC(=O)c1c[n-]n2c1nccc2=O	ZINC001284245432	954960800	/nfs/dbraw/zinc/96/08/00/954960800.db2.gz	LYXNHXQUDOKJKS-JTQLQIEISA-N	-1	0	317.349	0.223	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)N(C)CC(=O)OCC	ZINC001350300319	955051081	/nfs/dbraw/zinc/05/10/81/955051081.db2.gz	ZHKPJXXOEOKTTM-UHFFFAOYSA-N	-1	0	314.310	0.054	20	30		DCEDRM
CC[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001589525480	955111261	/nfs/dbraw/zinc/11/12/61/955111261.db2.gz	BJTJQRFIBFGWRS-NSHDSACASA-N	-1	0	303.318	0.515	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC001593847028	955429460	/nfs/dbraw/zinc/42/94/60/955429460.db2.gz	CPXAGXOQUBSJKG-NSHDSACASA-N	-1	0	308.265	0.834	20	30		DCEDRM
O=C([O-])C1(CC(=O)NCCNC(=O)C2N=CC=CC2=O)CCC1	ZINC001352105130	955514575	/nfs/dbraw/zinc/51/45/75/955514575.db2.gz	GTRALSKNVZRKLQ-SEYXRHQNSA-N	-1	0	321.333	0.274	20	30		DCEDRM
N#Cc1ccc(OC2CN(S(=O)(=O)c3ncc[n-]3)C2)cc1	ZINC001463493006	1013137458	/nfs/dbraw/zinc/13/74/58/1013137458.db2.gz	RGOANAOINCZVME-UHFFFAOYSA-N	-1	0	304.331	0.733	20	30		DCEDRM
C#CCCCCC(=O)N1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001285849441	956008036	/nfs/dbraw/zinc/00/80/36/956008036.db2.gz	WYQHLFPNMSRQAD-GFCCVEGCSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001285851785	956014929	/nfs/dbraw/zinc/01/49/29/956014929.db2.gz	PIYJGDCUDMBPAK-MEBBXXQBSA-N	-1	0	322.365	0.082	20	30		DCEDRM
Cn1nccc1[C@@H]1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC001594593182	956066876	/nfs/dbraw/zinc/06/68/76/956066876.db2.gz	QITKGHDEPYZETO-GMXABZIVSA-N	-1	0	320.349	0.761	20	30		DCEDRM
N#CC1(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCCCC1	ZINC001594602916	956152820	/nfs/dbraw/zinc/15/28/20/956152820.db2.gz	UJYIQGXIFKWHHI-NSHDSACASA-N	-1	0	307.350	0.652	20	30		DCEDRM
N#CCc1ccc(NC(=O)NCCOCCOCC(=O)[O-])cc1	ZINC001594611447	956214583	/nfs/dbraw/zinc/21/45/83/956214583.db2.gz	QQYWLZIKAQOPBD-UHFFFAOYSA-N	-1	0	321.333	0.992	20	30		DCEDRM
C[C@](O)(CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)[O-]	ZINC001589138768	956252581	/nfs/dbraw/zinc/25/25/81/956252581.db2.gz	UCFXIVFWARMRFD-AWEZNQCLSA-N	-1	0	306.293	0.681	20	30		DCEDRM
C[C@@](O)(CNC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-]	ZINC001589143711	956270825	/nfs/dbraw/zinc/27/08/25/956270825.db2.gz	DZIAOZFUDAKBAC-OAHLLOKOSA-N	-1	0	315.285	0.779	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)c2cnc(C(=O)[O-])cn2)cc1	ZINC001594623959	956300554	/nfs/dbraw/zinc/30/05/54/956300554.db2.gz	LSLZOEIPSPFFSJ-UHFFFAOYSA-N	-1	0	312.285	0.855	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(C[C@@H]2C[C@H]3C=C[C@@H]2C3)c1=O	ZINC001594632831	956353623	/nfs/dbraw/zinc/35/36/23/956353623.db2.gz	DMWUWEVCJVBLGM-AXFHLTTASA-N	-1	0	301.302	0.178	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(Cc2ccc(Cl)cn2)c1=O	ZINC001594633093	956356318	/nfs/dbraw/zinc/35/63/18/956356318.db2.gz	NBXXQIJCLKXSIB-UHFFFAOYSA-N	-1	0	320.692	0.063	20	30		DCEDRM
N#Cc1csc(CN[C@H]2CCCCN(CC(=O)[O-])C2=O)n1	ZINC001594634084	956361514	/nfs/dbraw/zinc/36/15/14/956361514.db2.gz	CJRQRJOHEVZYLU-JTQLQIEISA-N	-1	0	308.363	0.570	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)C2(CC(=O)[O-])CCOCC2)c1N	ZINC001594634374	956362371	/nfs/dbraw/zinc/36/23/71/956362371.db2.gz	JBRWIMCWYCYUOH-UHFFFAOYSA-N	-1	0	322.321	0.152	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001287671641	956421955	/nfs/dbraw/zinc/42/19/55/956421955.db2.gz	XFUPSKLBJKDLHC-VIFPVBQESA-N	-1	0	323.353	0.216	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)NC(=O)c1cn[nH]n1	ZINC001354578276	956435384	/nfs/dbraw/zinc/43/53/84/956435384.db2.gz	SZQWOVFRLCTVET-QMTHXVAHSA-N	-1	0	309.370	0.268	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC001589181673	956526788	/nfs/dbraw/zinc/52/67/88/956526788.db2.gz	BICGHXBHBBBJHO-HNNXBMFYSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@@]1(C#N)CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1	ZINC001589181819	956529548	/nfs/dbraw/zinc/52/95/48/956529548.db2.gz	QCQPPUOXSBDQPR-LBPRGKRZSA-N	-1	0	314.363	0.028	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2cc(C#N)[nH]c2C)CCO1	ZINC001593971237	956618858	/nfs/dbraw/zinc/61/88/58/956618858.db2.gz	BHNNEYSEUHVWOZ-AWEZNQCLSA-N	-1	0	307.306	0.137	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001357415831	957278138	/nfs/dbraw/zinc/27/81/38/957278138.db2.gz	HTSNWZVARZQKRY-KOLCDFICSA-N	-1	0	324.381	0.233	20	30		DCEDRM
COC(=O)c1ccc(Sc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001413878478	957499244	/nfs/dbraw/zinc/49/92/44/957499244.db2.gz	KAPUTNFAMJEFQF-UHFFFAOYSA-N	-1	0	317.326	0.883	20	30		DCEDRM
C=C1CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	ZINC001333125313	957774289	/nfs/dbraw/zinc/77/42/89/957774289.db2.gz	SMDQGVKNADSHTF-UHFFFAOYSA-N	-1	0	301.364	0.445	20	30		DCEDRM
Cc1ccc(CNC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)cc1F	ZINC001413928745	957788245	/nfs/dbraw/zinc/78/82/45/957788245.db2.gz	JGJAINLTYVGKBC-UHFFFAOYSA-N	-1	0	316.292	0.172	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-]	ZINC000150130927	957826501	/nfs/dbraw/zinc/82/65/01/957826501.db2.gz	DJKXOTIVLUDUTN-GFCCVEGCSA-N	-1	0	311.359	0.990	20	30		DCEDRM
C#C[C@@H](OC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC1	ZINC001588385261	957968724	/nfs/dbraw/zinc/96/87/24/957968724.db2.gz	BSFZJYHDZNFEPC-SNVBAGLBSA-N	-1	0	300.332	0.221	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H]2CNC(=O)C#CC(C)C)c1[O-]	ZINC001296425712	957982745	/nfs/dbraw/zinc/98/27/45/957982745.db2.gz	RMGNKFVNUMSJIM-GFCCVEGCSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588389106	958004172	/nfs/dbraw/zinc/00/41/72/958004172.db2.gz	NCEKSSBAIMRAHQ-LBPRGKRZSA-N	-1	0	304.302	0.478	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001588389368	958007828	/nfs/dbraw/zinc/00/78/28/958007828.db2.gz	SXNIOKWBOAJCQR-OTTFEQOBSA-N	-1	0	324.377	0.291	20	30		DCEDRM
C#CCN(C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)C1CC1	ZINC001588396730	958051183	/nfs/dbraw/zinc/05/11/83/958051183.db2.gz	YPPKRKXJLYATBJ-UHFFFAOYSA-N	-1	0	300.314	0.876	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NCCCCC(=O)[O-])ncc1C#N	ZINC001594314254	958056225	/nfs/dbraw/zinc/05/62/25/958056225.db2.gz	FNQMLOOIFAKTLR-UHFFFAOYSA-N	-1	0	304.306	0.571	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC001588399387	958073268	/nfs/dbraw/zinc/07/32/68/958073268.db2.gz	JRSCOGTXXDRQKF-LLVKDONJSA-N	-1	0	304.302	0.175	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(C(=O)[C@H](C)CC)C1	ZINC001588400502	958084798	/nfs/dbraw/zinc/08/47/98/958084798.db2.gz	ZPDBZMRTDYXMKH-OLZOCXBDSA-N	-1	0	308.378	0.818	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1nnc2n1CCCCC2	ZINC001588408914	958119864	/nfs/dbraw/zinc/11/98/64/958119864.db2.gz	LYMBNQHLLSDQKO-UHFFFAOYSA-N	-1	0	305.338	0.234	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(OCC#N)cc1	ZINC001588409101	958123134	/nfs/dbraw/zinc/12/31/34/958123134.db2.gz	REBRAUCZHLAOQF-UHFFFAOYSA-N	-1	0	301.302	0.818	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1nnc(-c2ccncc2)[nH]1	ZINC001588409223	958124231	/nfs/dbraw/zinc/12/42/31/958124231.db2.gz	SLWDRTKVEUZKIJ-UHFFFAOYSA-N	-1	0	314.305	0.096	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC001588409322	958125745	/nfs/dbraw/zinc/12/57/45/958125745.db2.gz	FNHJTEWTARFDKL-JTQLQIEISA-N	-1	0	313.354	0.629	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCN(c2ncccc2F)C1	ZINC001588409558	958129275	/nfs/dbraw/zinc/12/92/75/958129275.db2.gz	GQUWUPRMMNZCGQ-NSHDSACASA-N	-1	0	320.324	0.529	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1	ZINC001588409832	958132677	/nfs/dbraw/zinc/13/26/77/958132677.db2.gz	LGHRBRJXFGXSRE-RISCZKNCSA-N	-1	0	312.391	0.771	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)NC(=O)Nc1ccccc1F	ZINC001588419717	958195521	/nfs/dbraw/zinc/19/55/21/958195521.db2.gz	BXLPNFYHOMBZFT-SNVBAGLBSA-N	-1	0	321.308	0.882	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1ccccc1C(=O)OCC	ZINC001588420401	958204531	/nfs/dbraw/zinc/20/45/31/958204531.db2.gz	XXACALQVAGBLCR-UHFFFAOYSA-N	-1	0	318.329	0.822	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2C[C@@H]3C[C@H](O)[C@@H]3C2)n1C	ZINC001588426860	958236069	/nfs/dbraw/zinc/23/60/69/958236069.db2.gz	DZUJECYMNREPFC-KKOKHZNYSA-N	-1	0	304.350	0.214	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2(C#N)CCOCC2)n1CC	ZINC001588427398	958246365	/nfs/dbraw/zinc/24/63/65/958246365.db2.gz	VYWJRORKMPEBCD-UHFFFAOYSA-N	-1	0	317.349	0.394	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001588430593	958257531	/nfs/dbraw/zinc/25/75/31/958257531.db2.gz	CYBVSHYQNJNXRX-JHJVBQTASA-N	-1	0	319.361	0.475	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CCO1	ZINC000093932733	958259261	/nfs/dbraw/zinc/25/92/61/958259261.db2.gz	OAQRALDXSHROBJ-VIFPVBQESA-N	-1	0	314.294	0.437	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1	ZINC001361781080	958323678	/nfs/dbraw/zinc/32/36/78/958323678.db2.gz	FBDBPVBXLFYUPL-BFHYXJOUSA-N	-1	0	324.344	0.775	20	30		DCEDRM
C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588441602	958339124	/nfs/dbraw/zinc/33/91/24/958339124.db2.gz	DQNGSALFTWMPLV-MNOVXSKESA-N	-1	0	319.365	0.716	20	30		DCEDRM
C=CC[C@H](C=C)OC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588452569	958423359	/nfs/dbraw/zinc/42/33/59/958423359.db2.gz	GNSXNLPCIMXNHT-JTQLQIEISA-N	-1	0	302.348	0.940	20	30		DCEDRM
C=CCONC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001588466407	958511258	/nfs/dbraw/zinc/51/12/58/958511258.db2.gz	OLWQSQICKKZTJF-OPASDULOSA-N	-1	0	312.322	0.399	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(=O)NCc1ccco1	ZINC001361944086	958522087	/nfs/dbraw/zinc/52/20/87/958522087.db2.gz	YJNNRMIYVHZJIL-UHFFFAOYSA-N	-1	0	314.301	0.607	20	30		DCEDRM
C=CCn1c([C@@H](C)O)nnc1N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588474648	958556409	/nfs/dbraw/zinc/55/64/09/958556409.db2.gz	LTHVYIUOZXCSKI-YGRLFVJLSA-N	-1	0	310.354	0.445	20	30		DCEDRM
CC(N=Nc1nc2ccccn2n1)c1cn(CC(=O)[O-])nn1	ZINC001588485790	958606192	/nfs/dbraw/zinc/60/61/92/958606192.db2.gz	JMYCLSFWZBYJNF-UHFFFAOYSA-N	-1	0	300.282	0.242	20	30		DCEDRM
CO[C@]1(C)C[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1(C)C	ZINC001362137861	958808340	/nfs/dbraw/zinc/80/83/40/958808340.db2.gz	JAVBDQDXVOPMFX-MEBBXXQBSA-N	-1	0	320.349	0.140	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC2(CCNC(=O)O2)CC1	ZINC001588535926	958931860	/nfs/dbraw/zinc/93/18/60/958931860.db2.gz	SOHLBNSUUPKZPY-CYBMUJFWSA-N	-1	0	309.322	0.482	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCOC2(CCOCC2)CC1	ZINC001588539073	958951094	/nfs/dbraw/zinc/95/10/94/958951094.db2.gz	WOFGRIRJUYRGMY-AWEZNQCLSA-N	-1	0	310.350	0.789	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccccc1S(=O)(=O)CC)C(=O)[O-]	ZINC000149843353	959029318	/nfs/dbraw/zinc/02/93/18/959029318.db2.gz	HPEHEOOAPHZNOE-NSHDSACASA-N	-1	0	309.343	0.687	20	30		DCEDRM
CN(Cc1ccc(O)cc1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362283512	959066383	/nfs/dbraw/zinc/06/63/83/959066383.db2.gz	SFHLEFDBVBBJQC-UHFFFAOYSA-N	-1	0	314.301	0.185	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCOCC1CCOCC1	ZINC001588558413	959086477	/nfs/dbraw/zinc/08/64/77/959086477.db2.gz	TUGOKHMEEIBMMY-OAHLLOKOSA-N	-1	0	312.366	0.940	20	30		DCEDRM
N#CC1(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)CCOCC1	ZINC001362315264	959126041	/nfs/dbraw/zinc/12/60/41/959126041.db2.gz	WFTMFAGEOSVCGO-NSHDSACASA-N	-1	0	304.354	0.616	20	30		DCEDRM
C[C@@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC001362327945	959153492	/nfs/dbraw/zinc/15/34/92/959153492.db2.gz	MHJOAGQPYAONOG-NSHDSACASA-N	-1	0	312.329	0.740	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c(=O)[n-]c1=O	ZINC001362335696	959167762	/nfs/dbraw/zinc/16/77/62/959167762.db2.gz	NZIWUJQRPFNQQP-OLZOCXBDSA-N	-1	0	316.361	0.906	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[S@@](=O)C[C@@H](C)C1	ZINC001362349921	959189839	/nfs/dbraw/zinc/18/98/39/959189839.db2.gz	BXVCPPQENUDFMM-JLTPVHFHSA-N	-1	0	307.375	0.808	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](CO)[C@H](O)C2)cc1C#N	ZINC001362471815	959420408	/nfs/dbraw/zinc/42/04/08/959420408.db2.gz	ZWERPRSCIWANLO-GZMMTYOYSA-N	-1	0	323.374	0.196	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](CS(C)(=O)=O)C1	ZINC001362483358	959442306	/nfs/dbraw/zinc/44/23/06/959442306.db2.gz	BTEPVFKGBCNJAM-JTQLQIEISA-N	-1	0	323.374	0.474	20	30		DCEDRM
CCCc1cnc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001362559628	959596679	/nfs/dbraw/zinc/59/66/79/959596679.db2.gz	UNWKLUFDOSJTFB-UHFFFAOYSA-N	-1	0	319.346	0.868	20	30		DCEDRM
C[C@@]1(C#N)CCN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1	ZINC001573644468	959632764	/nfs/dbraw/zinc/63/27/64/959632764.db2.gz	ZERJXVJJSDJXAU-ABAIWWIYSA-N	-1	0	322.365	0.397	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1cncc(F)c1	ZINC001362719757	959886135	/nfs/dbraw/zinc/88/61/35/959886135.db2.gz	LDJBXUUTEHMGOW-MRVPVSSYSA-N	-1	0	317.280	0.232	20	30		DCEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001603268751	972469769	/nfs/dbraw/zinc/46/97/69/972469769.db2.gz	OIWWPBZMEZUUIK-RNCFNFMXSA-N	-1	0	307.306	0.485	20	30		DCEDRM
CC(C)OC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001362858759	960098811	/nfs/dbraw/zinc/09/88/11/960098811.db2.gz	LTHZZZDWQCSDEB-UHFFFAOYSA-N	-1	0	320.349	0.284	20	30		DCEDRM
CCOC(=O)N1CSC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362868536	960111472	/nfs/dbraw/zinc/11/14/72/960111472.db2.gz	YSZLBHVZGFWZFY-VIFPVBQESA-N	-1	0	320.334	0.623	20	30		DCEDRM
CCN1C[C@@H](CNC(=O)c2[n-]c(=O)c(C#N)cc2C)CC1=O	ZINC001362920411	960178053	/nfs/dbraw/zinc/17/80/53/960178053.db2.gz	DQBQFDOUMQBOEH-SNVBAGLBSA-N	-1	0	302.334	0.566	20	30		DCEDRM
N#Cc1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])nc1	ZINC001309555544	960200684	/nfs/dbraw/zinc/20/06/84/960200684.db2.gz	JCQCHAJTNJQZTI-UHFFFAOYSA-N	-1	0	319.302	0.735	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCS(=O)(=O)[C@@H](C)C1	ZINC001362973208	960247076	/nfs/dbraw/zinc/24/70/76/960247076.db2.gz	PRAJLUNADFYHHN-ONGXEEELSA-N	-1	0	323.374	0.663	20	30		DCEDRM
CC(C)[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001362998495	960277483	/nfs/dbraw/zinc/27/74/83/960277483.db2.gz	GLZAJWDCJRSMPE-CYBMUJFWSA-N	-1	0	304.350	0.761	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H]2Cc3ccccc32)c(=O)[n-]c1=O	ZINC001363006751	960290952	/nfs/dbraw/zinc/29/09/52/960290952.db2.gz	ZCVRRTQVMWUQIV-ZDUSSCGKSA-N	-1	0	310.313	0.277	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c(=O)[n-]c1=O	ZINC001363021086	960309833	/nfs/dbraw/zinc/30/98/33/960309833.db2.gz	XGOVRARJWXIURB-USWWRNFRSA-N	-1	0	302.334	0.515	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c(=O)[n-]c1=O	ZINC001363021083	960309841	/nfs/dbraw/zinc/30/98/41/960309841.db2.gz	XGOVRARJWXIURB-ADEWGFFLSA-N	-1	0	302.334	0.515	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[S@](=O)[C@H](C)[C@H]1C	ZINC001363073880	960374483	/nfs/dbraw/zinc/37/44/83/960374483.db2.gz	GDUNNBIKXZOVCM-QDXVKYEASA-N	-1	0	307.375	0.949	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NCCCN(C)CC#N)cc1=O	ZINC001316833075	960404863	/nfs/dbraw/zinc/40/48/63/960404863.db2.gz	DMCQGACKLZTQSG-UHFFFAOYSA-N	-1	0	307.398	0.337	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCOC[C@H]2c2nnn[n-]2)c1	ZINC001363117428	960422408	/nfs/dbraw/zinc/42/24/08/960422408.db2.gz	WZRMBWAOAMAYFQ-MJBXVCDLSA-N	-1	0	324.344	0.775	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2CCC3(CC3)CC2)c(=O)[n-]c1=O	ZINC001363137706	960457074	/nfs/dbraw/zinc/45/70/74/960457074.db2.gz	SDUZGLRLEFCTDX-UHFFFAOYSA-N	-1	0	302.334	0.660	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](CCO)Cc2ccccc2)c(C#N)c1=O	ZINC001363162366	960512152	/nfs/dbraw/zinc/51/21/52/960512152.db2.gz	ZIHSEVNABQMPLU-GFCCVEGCSA-N	-1	0	314.345	0.351	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CCc2cccc3c2OC(F)(F)O3)c1=O	ZINC001363185405	960556979	/nfs/dbraw/zinc/55/69/79/960556979.db2.gz	PPLLBKBBPVCVHE-UHFFFAOYSA-N	-1	0	321.239	0.972	20	30		DCEDRM
COC(=O)[C@@](C)(NCc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1	ZINC001363219710	960634804	/nfs/dbraw/zinc/63/48/04/960634804.db2.gz	ZGOZTAQZAAAHFK-HNNXBMFYSA-N	-1	0	315.333	0.738	20	30		DCEDRM
COC[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1nnn[n-]1	ZINC001363409477	961097528	/nfs/dbraw/zinc/09/75/28/961097528.db2.gz	FFPOKRQXYWSJRM-GFCCVEGCSA-N	-1	0	312.333	0.872	20	30		DCEDRM
CCCC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001363481153	961243789	/nfs/dbraw/zinc/24/37/89/961243789.db2.gz	FBXQUHIDPQMQSU-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
N#Cc1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1F	ZINC001571112227	961347370	/nfs/dbraw/zinc/34/73/70/961347370.db2.gz	JQSSIAGPRPILLT-GFCCVEGCSA-N	-1	0	312.322	0.381	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1ccccc1	ZINC001331492198	961377470	/nfs/dbraw/zinc/37/74/70/961377470.db2.gz	AHHBKLYDRUZTAE-MGPQQGTHSA-N	-1	0	314.341	0.847	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nc2)CCN1C1CC1	ZINC001571126862	961515606	/nfs/dbraw/zinc/51/56/06/961515606.db2.gz	XRTZXGRNVZJBGS-GFCCVEGCSA-N	-1	0	315.333	0.984	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001571166701	962004092	/nfs/dbraw/zinc/00/40/92/962004092.db2.gz	ZLMUTSHKKZHDEV-RYUDHWBXSA-N	-1	0	324.358	0.323	20	30		DCEDRM
N#Cc1ccc(CCNC(=O)CCCn2c(=O)[n-][nH]c2=O)cc1	ZINC001363927873	962142373	/nfs/dbraw/zinc/14/23/73/962142373.db2.gz	AOWKYBOVXGDPHS-UHFFFAOYSA-N	-1	0	315.333	0.700	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3cccc(F)c3)C2)c(=O)[n-]c1=O	ZINC001363944475	962170859	/nfs/dbraw/zinc/17/08/59/962170859.db2.gz	FZBDAHYBEPHGHW-UHFFFAOYSA-N	-1	0	314.276	0.657	20	30		DCEDRM
COC(=O)c1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001364126639	962521432	/nfs/dbraw/zinc/52/14/32/962521432.db2.gz	BJMBQDLNKOLAMQ-UHFFFAOYSA-N	-1	0	314.301	0.344	20	30		DCEDRM
CN(C[C@](C)(O)c1ccccc1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364206424	962671205	/nfs/dbraw/zinc/67/12/05/962671205.db2.gz	XGQHAFARZRHFFG-INIZCTEOSA-N	-1	0	314.345	0.289	20	30		DCEDRM
C#CCC1(C(=O)N(C)CCNC(=O)CNC(=O)[O-])CCCCC1	ZINC001573303493	962677374	/nfs/dbraw/zinc/67/73/74/962677374.db2.gz	OUECWTAOZLLZDQ-UHFFFAOYSA-N	-1	0	323.393	0.802	20	30		DCEDRM
C#CCCCCC(=O)N1CCC[C@@H]1CN(C)C(=O)CNC(=O)[O-]	ZINC001573303785	962681854	/nfs/dbraw/zinc/68/18/54/962681854.db2.gz	SQHXMEFWBQHLSB-CYBMUJFWSA-N	-1	0	323.393	0.897	20	30		DCEDRM
C=C(Br)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)[O-]	ZINC001573313542	962732786	/nfs/dbraw/zinc/73/27/86/962732786.db2.gz	KQXLYUACXFDGMM-MBTKJCJQSA-N	-1	0	318.171	0.209	20	30		DCEDRM
C#Cc1cccc(CNC(=O)Cn2cccc(C(=O)[O-])c2=O)c1	ZINC001573313624	962735442	/nfs/dbraw/zinc/73/54/42/962735442.db2.gz	MUBGKGCOVPZEBV-UHFFFAOYSA-N	-1	0	310.309	0.844	20	30		DCEDRM
C=C(Br)CN1CC[C@@H]1CNC(=O)CNC(=O)[O-]	ZINC001573314086	962740379	/nfs/dbraw/zinc/74/03/79/962740379.db2.gz	WWDINOLJHSVVTB-MRVPVSSYSA-N	-1	0	306.160	0.353	20	30		DCEDRM
C=C(Br)CN1CC[C@@H](NC(=O)CNC(=O)[O-])C1	ZINC001573313991	962740545	/nfs/dbraw/zinc/74/05/45/962740545.db2.gz	VHDZMGDQXWTMMM-MRVPVSSYSA-N	-1	0	306.160	0.353	20	30		DCEDRM
C=C(Cl)CN1CCC(CO)(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573339335	962889576	/nfs/dbraw/zinc/88/95/76/962889576.db2.gz	QMKOCPNFCMLJTJ-MNOVXSKESA-N	-1	0	316.785	0.403	20	30		DCEDRM
CC(=O)NC1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC1	ZINC001364333982	962910423	/nfs/dbraw/zinc/91/04/23/962910423.db2.gz	RJHQLMLIGGJIPE-UHFFFAOYSA-N	-1	0	314.349	0.407	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)CNC(=O)[O-])C1	ZINC001573345554	962935560	/nfs/dbraw/zinc/93/55/60/962935560.db2.gz	VVNDPIQNKQSHJK-NSHDSACASA-N	-1	0	311.382	0.916	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](C)N(C(=O)CNC(=O)[O-])C1	ZINC001573346893	962943928	/nfs/dbraw/zinc/94/39/28/962943928.db2.gz	HKAIVJJUISPCKY-MNOVXSKESA-N	-1	0	311.382	0.962	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@]1(C)CCN(C(=O)CNC(=O)[O-])C1	ZINC001573346880	962944184	/nfs/dbraw/zinc/94/41/84/962944184.db2.gz	HJDSZFONUIPLSF-OAHLLOKOSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C#CCCCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001588446339	964071006	/nfs/dbraw/zinc/07/10/06/964071006.db2.gz	FSRJDLMDQZJMMA-UHFFFAOYSA-N	-1	0	312.303	0.985	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1	ZINC000316934441	964075642	/nfs/dbraw/zinc/07/56/42/964075642.db2.gz	LZLJUILDKFBUQE-LBPRGKRZSA-N	-1	0	324.358	0.617	20	30		DCEDRM
C#CCCCc1nnc(N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)n1CC	ZINC001588447225	964084815	/nfs/dbraw/zinc/08/48/15/964084815.db2.gz	ULDQCYJSYKGLPS-VXGBXAGGSA-N	-1	0	306.366	0.932	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCCC[C@H](S(C)(=O)=O)C1	ZINC001609691211	970447237	/nfs/dbraw/zinc/44/72/37/970447237.db2.gz	BNQXKDYYQRYWDB-GWCFXTLKSA-N	-1	0	316.379	0.417	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H](C(=O)[O-])C1CC1	ZINC001604174941	972592734	/nfs/dbraw/zinc/59/27/34/972592734.db2.gz	MZFHEEXDPDFKEO-NSHDSACASA-N	-1	0	305.338	0.365	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CNc2ccc(C#N)cn2)C1	ZINC001603360905	972830600	/nfs/dbraw/zinc/83/06/00/972830600.db2.gz	ZTBNBJNDGBGRKV-JQWIXIFHSA-N	-1	0	302.334	0.934	20	30		DCEDRM
C[C@H]1CCN(C(=O)CNc2ccc(C#N)cn2)C[C@@H]1C(=O)[O-]	ZINC001603417472	973128003	/nfs/dbraw/zinc/12/80/03/973128003.db2.gz	RYOCDOFTCZWZDJ-JQWIXIFHSA-N	-1	0	302.334	0.934	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001605320576	973156303	/nfs/dbraw/zinc/15/63/03/973156303.db2.gz	RHQGWPMSCLJFQR-LLVKDONJSA-N	-1	0	310.331	0.341	20	30		DCEDRM
O=C([O-])CN1CCCC[C@@H](NC(=O)C#Cc2ccccc2)C1=O	ZINC001606256786	973596628	/nfs/dbraw/zinc/59/66/28/973596628.db2.gz	ADECNYQGXWTHSQ-CQSZACIVSA-N	-1	0	314.341	0.620	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccc(C#N)c(O)c2)CCO1	ZINC001604558947	973612331	/nfs/dbraw/zinc/61/23/31/973612331.db2.gz	ZUSJUWHTPATUBP-OAHLLOKOSA-N	-1	0	320.301	0.206	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(CCOc2ccccc2C#N)CCO1	ZINC001604559013	973613292	/nfs/dbraw/zinc/61/32/92/973613292.db2.gz	TWPCQFJDZNXURR-MRXNPFEDSA-N	-1	0	320.345	0.739	20	30		DCEDRM
N#C[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C(=O)[O-])C1	ZINC001605582872	973868513	/nfs/dbraw/zinc/86/85/13/973868513.db2.gz	HDDLBOXWMDFBRV-LLVKDONJSA-N	-1	0	315.329	0.763	20	30		DCEDRM
N#CCc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1	ZINC001605601496	973902957	/nfs/dbraw/zinc/90/29/57/973902957.db2.gz	NSXPJFQEUHPXGS-GFCCVEGCSA-N	-1	0	322.342	0.076	20	30		DCEDRM
CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC)[C@H](C)C(=O)[O-]	ZINC001603701227	974098262	/nfs/dbraw/zinc/09/82/62/974098262.db2.gz	ICAIWOQHWKTTFV-SECBINFHSA-N	-1	0	319.317	0.827	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1	ZINC001549305959	1014214829	/nfs/dbraw/zinc/21/48/29/1014214829.db2.gz	MUDLPDAWKQOXKR-BBRMVZONSA-N	-1	0	318.329	0.840	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl	ZINC000717770073	977916272	/nfs/dbraw/zinc/91/62/72/977916272.db2.gz	OCAJDDYERLRQIG-SECBINFHSA-N	-1	0	317.750	0.701	20	30		DCEDRM
C[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1nncn1C	ZINC001593050333	980342535	/nfs/dbraw/zinc/34/25/35/980342535.db2.gz	DNHFSVCUHHCEPP-VIFPVBQESA-N	-1	0	306.326	0.276	20	30		DCEDRM
CCCCCCCS(=O)(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-]	ZINC001595709001	982289197	/nfs/dbraw/zinc/28/91/97/982289197.db2.gz	QBWLRYWERJCPLV-LLVKDONJSA-N	-1	0	320.411	0.514	20	30		DCEDRM
CCCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)C#CC1CC1	ZINC001595880269	982888887	/nfs/dbraw/zinc/88/88/87/982888887.db2.gz	VZDVZYCJHZLNNJ-QWHCGFSZSA-N	-1	0	306.362	0.475	20	30		DCEDRM
Cn1cc(C(=O)[O-])c(NC(=O)[C@H](O)c2ccc(C#N)cc2)n1	ZINC001574211400	983192681	/nfs/dbraw/zinc/19/26/81/983192681.db2.gz	HGAGNIIZKXNCKI-LLVKDONJSA-N	-1	0	300.274	0.662	20	30		DCEDRM
C#C[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1)C(C)(C)C	ZINC001588372013	983327145	/nfs/dbraw/zinc/32/71/45/983327145.db2.gz	BMQGUDLIYWEVKY-MXWKQRLJSA-N	-1	0	310.350	0.550	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588382280	983369891	/nfs/dbraw/zinc/36/98/91/983369891.db2.gz	LMPZMJNRVPHOLN-RGDJUOJXSA-N	-1	0	318.373	0.616	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](C(=O)OCC)c1ccccc1)C(=O)[O-]	ZINC001588393430	983398275	/nfs/dbraw/zinc/39/82/75/983398275.db2.gz	BOMIXAKPWOZKSQ-QWHCGFSZSA-N	-1	0	303.314	0.926	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC001588395834	983406787	/nfs/dbraw/zinc/40/67/87/983406787.db2.gz	UQQMLCGQJPTKCX-QMMMGPOBSA-N	-1	0	310.331	0.539	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)NCCc1ncc(C(=O)[O-])s1	ZINC001588396367	983408527	/nfs/dbraw/zinc/40/85/27/983408527.db2.gz	YDFFELCNKBATNN-VIFPVBQESA-N	-1	0	311.363	0.721	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)[O-]	ZINC001588399665	983416452	/nfs/dbraw/zinc/41/64/52/983416452.db2.gz	WYGAVLALAHPFLB-YFKTTZPYSA-N	-1	0	320.345	0.143	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(c2cccc(OC)c2)=NO1)C(=O)[O-]	ZINC001588405710	983422665	/nfs/dbraw/zinc/42/26/65/983422665.db2.gz	IKHRNSXZYCQYMN-GXTWGEPZSA-N	-1	0	316.313	0.781	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1)C(=O)[O-]	ZINC001588414048	983432942	/nfs/dbraw/zinc/43/29/42/983432942.db2.gz	NCQORZCELLLRCZ-MRVPVSSYSA-N	-1	0	307.306	0.571	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccnc(NC(=O)C2CC2)c1)C(=O)[O-]	ZINC001588416919	983437926	/nfs/dbraw/zinc/43/79/26/983437926.db2.gz	STMZBHIDEAYWRX-LLVKDONJSA-N	-1	0	301.302	0.636	20	30		DCEDRM
C#CC[C@H](NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)C(=O)[O-]	ZINC001588421077	983439184	/nfs/dbraw/zinc/43/91/84/983439184.db2.gz	AIPFRKIJLNXULD-LBPRGKRZSA-N	-1	0	316.292	0.921	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1csc(-c2cnccn2)n1)C(=O)[O-]	ZINC001588421254	983439916	/nfs/dbraw/zinc/43/99/16/983439916.db2.gz	FBMDFMBDRLABJW-MRVPVSSYSA-N	-1	0	302.315	0.806	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-]	ZINC001588424708	983456517	/nfs/dbraw/zinc/45/65/17/983456517.db2.gz	ZLXYEUDFUMROKI-ZETCQYMHSA-N	-1	0	303.727	0.072	20	30		DCEDRM
C#CCC1(O)CCN(c2nnnn2[C@H]2CC=C(C(=O)[O-])C2)CC1	ZINC001588431088	983464573	/nfs/dbraw/zinc/46/45/73/983464573.db2.gz	GIPYCOJWFSXZHX-LBPRGKRZSA-N	-1	0	317.349	0.374	20	30		DCEDRM
C#CCN(Cc1ccc(C(=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1	ZINC001588469693	983502951	/nfs/dbraw/zinc/50/29/51/983502951.db2.gz	NOAJWVYQDUTNLK-CYBMUJFWSA-N	-1	0	308.359	0.402	20	30		DCEDRM
C#CCN1CCCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1	ZINC001588477182	983514482	/nfs/dbraw/zinc/51/44/82/983514482.db2.gz	LEFHYOUCJBROLU-UHFFFAOYSA-N	-1	0	316.357	0.931	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588478497	983517873	/nfs/dbraw/zinc/51/78/73/983517873.db2.gz	CQXRCVODQATDCY-JTQLQIEISA-N	-1	0	304.302	0.214	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001588506121	983550407	/nfs/dbraw/zinc/55/04/07/983550407.db2.gz	GRBBURRLGAQOKA-LLVKDONJSA-N	-1	0	324.402	0.182	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1	ZINC001588529902	983582821	/nfs/dbraw/zinc/58/28/21/983582821.db2.gz	KUVAFDXRKCQJGN-LLVKDONJSA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)C1=CN(C)S(=O)(=O)N=C1C)C(=O)[O-]	ZINC001588537287	983598960	/nfs/dbraw/zinc/59/89/60/983598960.db2.gz	LHPWVYHDEZYAKR-SNVBAGLBSA-N	-1	0	315.351	0.057	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-]	ZINC001588537352	983599389	/nfs/dbraw/zinc/59/93/89/983599389.db2.gz	NHBGXMMULNBYBU-MWLCHTKSSA-N	-1	0	306.322	0.298	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)OC)C1)C(=O)[O-]	ZINC001588555372	983634751	/nfs/dbraw/zinc/63/47/51/983634751.db2.gz	HEHCQGKQAWICKE-OUAUKWLOSA-N	-1	0	319.379	0.667	20	30		DCEDRM
C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001588562853	983643845	/nfs/dbraw/zinc/64/38/45/983643845.db2.gz	JPNQYMHOHJOUEG-NSHDSACASA-N	-1	0	323.349	0.938	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)NCc1cc(C(=O)[O-])c(C)o1	ZINC001588569821	983649799	/nfs/dbraw/zinc/64/97/99/983649799.db2.gz	LXDPDMRDYGRWNH-UHFFFAOYSA-N	-1	0	324.333	0.611	20	30		DCEDRM
C=C(C)CN1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)C1	ZINC001588585163	983663074	/nfs/dbraw/zinc/66/30/74/983663074.db2.gz	LMSQUEIZZPFUEI-LSDHHAIUSA-N	-1	0	322.405	0.975	20	30		DCEDRM
C=C(C)Cn1c([C@H](O)CC)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC001588591120	983671671	/nfs/dbraw/zinc/67/16/71/983671671.db2.gz	FUVLWPLYMTYXTR-IJLUTSLNSA-N	-1	0	324.381	0.976	20	30		DCEDRM
C=C(C)Cn1c(C[C@@H](C)O)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588597885	983680725	/nfs/dbraw/zinc/68/07/25/983680725.db2.gz	MLFJYQSGPVOSJK-GHMZBOCLSA-N	-1	0	310.354	0.067	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N([C@H](C)CS(C)(=O)=O)C1CC1	ZINC001588606761	983698517	/nfs/dbraw/zinc/69/85/17/983698517.db2.gz	IREQIKGWWATBKU-SNVBAGLBSA-N	-1	0	303.380	0.832	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1	ZINC001588615394	983711813	/nfs/dbraw/zinc/71/18/13/983711813.db2.gz	SNYHXLJJWVIZFG-LBPRGKRZSA-N	-1	0	323.393	0.219	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](c1cnn(C)c1)c1ncon1	ZINC001588621461	983719198	/nfs/dbraw/zinc/71/91/98/983719198.db2.gz	DRHMRUNPMCNVII-NSHDSACASA-N	-1	0	305.294	0.430	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCN1C(=O)NC(C)(C)C1=O	ZINC001588624352	983731691	/nfs/dbraw/zinc/73/16/91/983731691.db2.gz	GEAQJVYEMCYPNF-UHFFFAOYSA-N	-1	0	311.338	0.244	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1	ZINC001588668822	983806271	/nfs/dbraw/zinc/80/62/71/983806271.db2.gz	ACFZOEDPROYPKR-NSHDSACASA-N	-1	0	312.366	0.947	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCc2sc(S(N)(=O)=O)cc2C1	ZINC001588669366	983812459	/nfs/dbraw/zinc/81/24/59/983812459.db2.gz	JWEATMKYCICIKN-MRVPVSSYSA-N	-1	0	302.377	0.393	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCN([C@H](C)C(=O)NC2CCCC2)CC1	ZINC001588669703	983814586	/nfs/dbraw/zinc/81/45/86/983814586.db2.gz	NSWLSRZDDHJHTL-OCCSQVGLSA-N	-1	0	309.410	0.691	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1	ZINC001588673084	983828586	/nfs/dbraw/zinc/82/85/86/983828586.db2.gz	ICUMFGZVJNEOQF-JTQLQIEISA-N	-1	0	322.365	0.088	20	30		DCEDRM
C=CC(C)(C)CC(=O)NCC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588673447	983830668	/nfs/dbraw/zinc/83/06/68/983830668.db2.gz	YKVBCPRFONVZFK-RYUDHWBXSA-N	-1	0	308.378	0.884	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588683838	983852157	/nfs/dbraw/zinc/85/21/57/983852157.db2.gz	FTGUKUMZDVEKRV-HOCLYGCPSA-N	-1	0	311.378	0.922	20	30		DCEDRM
C=C[C@H](COC)NS(=O)(=O)c1cc(OC)ccc1C(=O)[O-]	ZINC001588692955	983888187	/nfs/dbraw/zinc/88/81/87/983888187.db2.gz	NSIOXLPSFHVYKQ-SECBINFHSA-N	-1	0	315.347	0.873	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001588693009	983889211	/nfs/dbraw/zinc/88/92/11/983889211.db2.gz	OZMUSWLEBCXLPO-JTQLQIEISA-N	-1	0	322.317	0.406	20	30		DCEDRM
C=C[C@H](OC(=O)CCc1c(C)nc2ncnn2c1C)C(=O)[O-]	ZINC001588712072	983941685	/nfs/dbraw/zinc/94/16/85/983941685.db2.gz	SXEPFXCLQNQXPO-NSHDSACASA-N	-1	0	304.306	0.856	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1	ZINC001588731231	984006945	/nfs/dbraw/zinc/00/69/45/984006945.db2.gz	FSPXTPZDEOKOIC-NSHDSACASA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)CCSc1nnnn1C)C(=O)[O-]	ZINC001588788727	984192470	/nfs/dbraw/zinc/19/24/70/984192470.db2.gz	LKBBWQFYZFRPHW-SECBINFHSA-N	-1	0	313.383	0.618	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)[O-]	ZINC001588797702	984230415	/nfs/dbraw/zinc/23/04/15/984230415.db2.gz	JTJCVIUKDDOQBY-NXEZZACHSA-N	-1	0	307.368	0.524	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)[C@H]1CC(=O)N(CC)C1)C(=O)[O-]	ZINC001588797891	984231596	/nfs/dbraw/zinc/23/15/96/984231596.db2.gz	MYMDKALIWJTEAM-QWRGUYRKSA-N	-1	0	318.395	0.336	20	30		DCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588813349	984269639	/nfs/dbraw/zinc/26/96/39/984269639.db2.gz	PCVYZVMHFHQRLZ-SECBINFHSA-N	-1	0	300.340	0.129	20	30		DCEDRM
C=CCCS(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001588813550	984270156	/nfs/dbraw/zinc/27/01/56/984270156.db2.gz	WDAULRRJINNAFC-NXEZZACHSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=CCCn1cc(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)nn1	ZINC001588820101	984281620	/nfs/dbraw/zinc/28/16/20/984281620.db2.gz	QHLNINYDRBRBTR-LBPRGKRZSA-N	-1	0	317.353	0.591	20	30		DCEDRM
C=CCCn1cc(CN2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])nn1	ZINC001588820133	984282452	/nfs/dbraw/zinc/28/24/52/984282452.db2.gz	RNICNFNUISOAMD-YPMHNXCESA-N	-1	0	322.365	0.692	20	30		DCEDRM
C=CCN1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)C1	ZINC001588839265	984346186	/nfs/dbraw/zinc/34/61/86/984346186.db2.gz	QHODRIKUJWURPD-OLZOCXBDSA-N	-1	0	308.378	0.587	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)C1	ZINC001588849988	984377513	/nfs/dbraw/zinc/37/75/13/984377513.db2.gz	RXKCHTGHPFLBOB-IJLUTSLNSA-N	-1	0	310.350	0.112	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)/C=C/c1ccc(C(N)=O)o1)C(=O)[O-]	ZINC001588854275	984389175	/nfs/dbraw/zinc/38/91/75/984389175.db2.gz	UCFAXTVJTUNNLU-DFVUYQKZSA-N	-1	0	308.290	0.164	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(=O)[O-]	ZINC001588855163	984391006	/nfs/dbraw/zinc/39/10/06/984391006.db2.gz	AIGCSPBOQRNXDA-QWHCGFSZSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC)C(=O)[O-]	ZINC001588856104	984397338	/nfs/dbraw/zinc/39/73/38/984397338.db2.gz	CNMFUGQPIBYRRO-QWRGUYRKSA-N	-1	0	316.354	0.529	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc(O)c(OC)c1)C(=O)[O-]	ZINC001588856486	984400429	/nfs/dbraw/zinc/40/04/29/984400429.db2.gz	KJLOYHZSCNGZCS-LLVKDONJSA-N	-1	0	309.318	0.715	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1csc2nccn12)C(=O)[O-]	ZINC001588856529	984400893	/nfs/dbraw/zinc/40/08/93/984400893.db2.gz	LNFRYVUVDMPWIQ-SNVBAGLBSA-N	-1	0	309.347	0.710	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ncoc1[C@@H]1CCCO1)C(=O)[O-]	ZINC001588860090	984410725	/nfs/dbraw/zinc/41/07/25/984410725.db2.gz	IKUSIUMPSIHAOB-ZJUUUORDSA-N	-1	0	310.306	0.912	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(CC(F)(F)F)c1)C(=O)[O-]	ZINC001588860455	984413241	/nfs/dbraw/zinc/41/32/41/984413241.db2.gz	VIIJRVJSPKKLHW-SECBINFHSA-N	-1	0	321.255	0.831	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001588861835	984416947	/nfs/dbraw/zinc/41/69/47/984416947.db2.gz	NCCJOIJYQXWDMB-CQSZACIVSA-N	-1	0	303.314	0.416	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(NC(C)=O)cn1)C(=O)[O-]	ZINC001588862323	984418611	/nfs/dbraw/zinc/41/86/11/984418611.db2.gz	VUOXVCPPMWMEMM-GFCCVEGCSA-N	-1	0	307.306	0.426	20	30		DCEDRM
C=CCOc1ccc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])cc1	ZINC001588875090	984451282	/nfs/dbraw/zinc/45/12/82/984451282.db2.gz	VIBKHOCCBXUZPB-SNVBAGLBSA-N	-1	0	307.302	0.998	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588878545	984454598	/nfs/dbraw/zinc/45/45/98/984454598.db2.gz	CSWWLLFOJHLCTB-AOOOYVTPSA-N	-1	0	304.368	0.092	20	30		DCEDRM
C=CCn1c([C@H](O)C(C)C)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588895810	984496275	/nfs/dbraw/zinc/49/62/75/984496275.db2.gz	MYKGTHNDVHYUDP-GHMZBOCLSA-N	-1	0	310.354	0.443	20	30		DCEDRM
C=CCn1c([C@H](OC)C2CC2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588896186	984499626	/nfs/dbraw/zinc/49/96/26/984499626.db2.gz	QKXKZOKNDSRUKT-VXGBXAGGSA-N	-1	0	322.365	0.851	20	30		DCEDRM
C=CCn1cc(CNS(=O)(=O)c2ccccc2C(=O)[O-])nn1	ZINC001588909461	984544620	/nfs/dbraw/zinc/54/46/20/984544620.db2.gz	VOCMEBKYCBNMBM-UHFFFAOYSA-N	-1	0	322.346	0.641	20	30		DCEDRM
C=CCn1cnnc1S(=O)(=O)Cc1cccc(C(=O)[O-])n1	ZINC001588909530	984544832	/nfs/dbraw/zinc/54/48/32/984544832.db2.gz	XRTJFCRIBBFTLR-UHFFFAOYSA-N	-1	0	308.319	0.531	20	30		DCEDRM
C=CCn1cc(C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)nn1	ZINC001588909992	984546621	/nfs/dbraw/zinc/54/66/21/984546621.db2.gz	FHEWXVVXZUVENG-UHFFFAOYSA-N	-1	0	305.294	0.815	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588925489	984587729	/nfs/dbraw/zinc/58/77/29/984587729.db2.gz	RPPHYUBNAVKPMI-SECBINFHSA-N	-1	0	301.320	0.339	20	30		DCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001599889038	984671927	/nfs/dbraw/zinc/67/19/27/984671927.db2.gz	IUJPTYXJGZOFSV-SSDOTTSWSA-N	-1	0	313.291	0.608	20	30		DCEDRM
CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@H]1c1cn(C2CCC2)nn1	ZINC001589027888	985049606	/nfs/dbraw/zinc/04/96/06/985049606.db2.gz	YACATVCQFWAGPN-JTQLQIEISA-N	-1	0	321.362	0.450	20	30		DCEDRM
CC(=O)N[C@@H](CS[C@H](C)C(=O)NC1(C#N)CCC1)C(=O)[O-]	ZINC001589157535	985491740	/nfs/dbraw/zinc/49/17/40/985491740.db2.gz	PSXXONIUARQEJO-SCZZXKLOSA-N	-1	0	313.379	0.260	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1C	ZINC001589329175	986162248	/nfs/dbraw/zinc/16/22/48/986162248.db2.gz	KYOBJYKTFNBMPC-HOSYDEDBSA-N	-1	0	317.349	0.523	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O	ZINC001589330142	986170339	/nfs/dbraw/zinc/17/03/39/986170339.db2.gz	ZNJRZEJATUQORS-PELKAZGASA-N	-1	0	301.302	0.914	20	30		DCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC001589330739	986176938	/nfs/dbraw/zinc/17/69/38/986176938.db2.gz	OZCUPPUHWIAXAY-ZCFIWIBFSA-N	-1	0	303.727	0.871	20	30		DCEDRM
CCc1ccc(C#CC(=O)NCCC(=O)NCCC(=O)[O-])cc1	ZINC001597494739	988038585	/nfs/dbraw/zinc/03/85/85/988038585.db2.gz	ICNVLQUETSZPHS-UHFFFAOYSA-N	-1	0	316.357	0.698	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H](O)CC(=O)[O-]	ZINC001589867420	988487478	/nfs/dbraw/zinc/48/74/78/988487478.db2.gz	WOVHQOAXTLJVOW-XPTSAGLGSA-N	-1	0	314.338	0.200	20	30		DCEDRM
CSc1ncc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(=O)[nH]1	ZINC001599828807	988638372	/nfs/dbraw/zinc/63/83/72/988638372.db2.gz	BZBQCQYEHBRKDK-UHFFFAOYSA-N	-1	0	322.346	0.735	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)C[C@H]1C(=O)[O-]	ZINC001599848808	988979037	/nfs/dbraw/zinc/97/90/37/988979037.db2.gz	BOYVWEAMDMMHHJ-GRYCIOLGSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@H]1CC(=O)[O-]	ZINC001599868164	989304784	/nfs/dbraw/zinc/30/47/84/989304784.db2.gz	HSEDWIBPJWHUSG-MWLCHTKSSA-N	-1	0	309.347	0.685	20	30		DCEDRM
CCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001390166653	989883907	/nfs/dbraw/zinc/88/39/07/989883907.db2.gz	ZVMXOEYEUUDTBP-MWLCHTKSSA-N	-1	0	319.365	0.646	20	30		DCEDRM
CC(C)(CCC#N)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001590654538	990347322	/nfs/dbraw/zinc/34/73/22/990347322.db2.gz	OSSDNBGPANNRJH-NSHDSACASA-N	-1	0	309.366	0.756	20	30		DCEDRM
CC(C)(CCC#N)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001590656347	990353961	/nfs/dbraw/zinc/35/39/61/990353961.db2.gz	PTAYRNYZROLABD-UHFFFAOYSA-N	-1	0	314.367	0.576	20	30		DCEDRM
CC(C)C#CC(=O)N1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001590927157	990931925	/nfs/dbraw/zinc/93/19/25/990931925.db2.gz	TXIJCNYIICJACZ-QWHCGFSZSA-N	-1	0	306.362	0.427	20	30		DCEDRM
CC(C)C#CC(=O)NCCCN(C)c1ccnc(C(=O)[O-])n1	ZINC001590928172	990940333	/nfs/dbraw/zinc/94/03/33/990940333.db2.gz	VHVDLPCODFTEQR-UHFFFAOYSA-N	-1	0	304.350	0.777	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)CC1	ZINC001590953489	991020801	/nfs/dbraw/zinc/02/08/01/991020801.db2.gz	QCHPKNUZSPVLER-ZIAGYGMSSA-N	-1	0	322.409	0.228	20	30		DCEDRM
CN([C@]1(C#N)CCOC1)S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC001598364656	991508802	/nfs/dbraw/zinc/50/88/02/991508802.db2.gz	ORUGQWJMFHCUGN-NSHDSACASA-N	-1	0	316.360	0.749	20	30		DCEDRM
CN(CC(=O)N(CC#N)CCC(=O)[O-])c1ccccc1[N+](=O)[O-]	ZINC001598378785	991568719	/nfs/dbraw/zinc/56/87/19/991568719.db2.gz	CENKVJCWTFHGML-UHFFFAOYSA-N	-1	0	320.305	0.858	20	30		DCEDRM
CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001598485206	992196389	/nfs/dbraw/zinc/19/63/89/992196389.db2.gz	PKOMMJZESVFZNT-VXGBXAGGSA-N	-1	0	302.334	0.569	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001598525783	992718324	/nfs/dbraw/zinc/71/83/24/992718324.db2.gz	ZTQKXFFZRKBCOZ-CHWSQXEVSA-N	-1	0	315.329	0.354	20	30		DCEDRM
CN1C(=O)CC[C@H]1C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001598546613	992952064	/nfs/dbraw/zinc/95/20/64/992952064.db2.gz	BVKMUSUXRXSRNE-LBPRGKRZSA-N	-1	0	302.286	0.920	20	30		DCEDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(C#N)cc2F)CC1=O	ZINC001598562416	993101774	/nfs/dbraw/zinc/10/17/74/993101774.db2.gz	KDASLMDOPFWQHI-NSHDSACASA-N	-1	0	305.265	0.065	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001393754751	993227552	/nfs/dbraw/zinc/22/75/52/993227552.db2.gz	FVQCLSFZRGBPOJ-VHSXEESVSA-N	-1	0	306.370	0.387	20	30		DCEDRM
C[C@@](O)(CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001593399263	995154093	/nfs/dbraw/zinc/15/40/93/995154093.db2.gz	PASYCBKYKRLXKD-IUODEOHRSA-N	-1	0	301.302	0.192	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](O)CN(Cc2cccc(C(=O)[O-])c2C#N)C1	ZINC001598759869	995764880	/nfs/dbraw/zinc/76/48/80/995764880.db2.gz	YFTMPTZZLCXQRW-NEPJUHHUSA-N	-1	0	318.329	0.612	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccnc(C#N)c2)C1	ZINC001598780281	995976055	/nfs/dbraw/zinc/97/60/55/995976055.db2.gz	RKPVNUZPEYCWCC-CMPLNLGQSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(Cc2nc(C#N)cs2)C1	ZINC001598781508	995988888	/nfs/dbraw/zinc/98/88/88/995988888.db2.gz	XDJLMQYZYUYCFF-SCZZXKLOSA-N	-1	0	309.347	0.853	20	30		DCEDRM
COC(=O)[C@H]1CN(c2ccc(Cl)c(C#N)n2)C[C@H]1C(=O)[O-]	ZINC001598826277	996386387	/nfs/dbraw/zinc/38/63/87/996386387.db2.gz	HWTSKGXHUUNYQU-SFYZADRCSA-N	-1	0	309.709	0.917	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1C(=O)[O-]	ZINC001598829767	996423134	/nfs/dbraw/zinc/42/31/34/996423134.db2.gz	VLIPOMYMISZQQO-RKDXNWHRSA-N	-1	0	309.709	0.917	20	30		DCEDRM
COC(=O)C[C@@H](OC(=O)c1cc(C#N)cc(N(C)C)c1)C(=O)[O-]	ZINC001598869329	996729906	/nfs/dbraw/zinc/72/99/06/996729906.db2.gz	LZWVQIXUMZBVSK-GFCCVEGCSA-N	-1	0	320.301	0.797	20	30		DCEDRM
CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(=O)o[n-]1	ZINC001466307455	1016067890	/nfs/dbraw/zinc/06/78/90/1016067890.db2.gz	QDFHPAOQHZQPHL-SECBINFHSA-N	-1	0	324.337	0.286	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccccc2OCC#N)C1	ZINC001599075659	996857729	/nfs/dbraw/zinc/85/77/29/996857729.db2.gz	MUCNIQRXZRJQAL-HNNXBMFYSA-N	-1	0	304.302	0.905	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC(C)(C)C#N	ZINC001599194891	997197176	/nfs/dbraw/zinc/19/71/76/997197176.db2.gz	MLBZVXBSDSWUAA-LBPRGKRZSA-N	-1	0	304.368	0.432	20	30		DCEDRM
COCC[C@@H](NS(=O)(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001599216954	997598557	/nfs/dbraw/zinc/59/85/57/997598557.db2.gz	XFTSOHHJOABSBC-LLVKDONJSA-N	-1	0	312.347	0.521	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)c2ccc(C#N)c(C)n2)[C@H](C(=O)[O-])C1	ZINC001599120013	997722327	/nfs/dbraw/zinc/72/23/27/997722327.db2.gz	JRPPJLOOMLIBRH-YPMHNXCESA-N	-1	0	303.318	0.966	20	30		DCEDRM
COCCN1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1=O	ZINC001599243323	998089026	/nfs/dbraw/zinc/08/90/26/998089026.db2.gz	PYJAENIAZKUGFU-CQSZACIVSA-N	-1	0	303.318	0.432	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCCNc1ccc(C#N)cn1	ZINC001594150967	998525404	/nfs/dbraw/zinc/52/54/04/998525404.db2.gz	UWXTUNVVYVSJKO-JQWIXIFHSA-N	-1	0	317.349	0.870	20	30		DCEDRM
COC(=O)c1ccc(N2C[C@H](C(=O)[O-])C[C@H](O)C2)c(C#N)n1	ZINC001598982521	998670618	/nfs/dbraw/zinc/67/06/18/998670618.db2.gz	MHGVGCSOGSGNLQ-BDAKNGLRSA-N	-1	0	305.290	0.012	20	30		DCEDRM
CC(C)Cc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n[nH]1	ZINC001469556049	1016345967	/nfs/dbraw/zinc/34/59/67/1016345967.db2.gz	ISBCBPJZCPXDHX-UHFFFAOYSA-N	-1	0	316.321	0.381	20	30		DCEDRM
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](O)CC(=O)[O-])c1	ZINC001573659337	1163524319	/nfs/dbraw/zinc/52/43/19/1163524319.db2.gz	CMYGZDKBBBOLNN-YPMHNXCESA-N	-1	0	306.318	0.819	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC2(CC3CC3)CC2)c(=O)[n-]c1=O	ZINC001419092612	1000762286	/nfs/dbraw/zinc/76/22/86/1000762286.db2.gz	NUFQXDVJJQVKTR-UHFFFAOYSA-N	-1	0	316.361	0.907	20	30		DCEDRM
CC(C)CN(Cc1nnn[n-]1)C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC001419134172	1000806554	/nfs/dbraw/zinc/80/65/54/1000806554.db2.gz	FICKNKBHDYORKI-CQSZACIVSA-N	-1	0	314.349	0.790	20	30		DCEDRM
CO[C@@]1(C(=O)Nc2cc(C#N)ccc2[O-])CCS(=O)(=O)C1	ZINC001546332542	1016563007	/nfs/dbraw/zinc/56/30/07/1016563007.db2.gz	IGJQOKBWPROATK-ZDUSSCGKSA-N	-1	0	310.331	0.406	20	30		DCEDRM
COC[C@H](NC(=O)c1cc(C)c(C#N)c(C)c1)c1nnn[n-]1	ZINC001471845142	1016665678	/nfs/dbraw/zinc/66/56/78/1016665678.db2.gz	FOSGOJUVVYTKOB-LBPRGKRZSA-N	-1	0	300.322	0.806	20	30		DCEDRM
C=CCn1cc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)nn1	ZINC001471854710	1016673618	/nfs/dbraw/zinc/67/36/18/1016673618.db2.gz	XVTABVNYARHRMI-SNVBAGLBSA-N	-1	0	302.342	0.072	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3ccc(Cl)o3)C2)c(=O)[n-]c1=O	ZINC001472370116	1016789707	/nfs/dbraw/zinc/78/97/07/1016789707.db2.gz	DFMKLGNTTVDTPN-UHFFFAOYSA-N	-1	0	320.692	0.764	20	30		DCEDRM
CC[C@@H](C)[C@@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001414557399	1005359411	/nfs/dbraw/zinc/35/94/11/1005359411.db2.gz	PXXXYLULYNJYCS-NXEZZACHSA-N	-1	0	307.354	0.554	20	30		DCEDRM
Cc1[nH]nc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1C	ZINC001417633081	1005856316	/nfs/dbraw/zinc/85/63/16/1005856316.db2.gz	YPNZVKNWTOJRRK-UHFFFAOYSA-N	-1	0	302.294	0.189	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001506117101	1017036313	/nfs/dbraw/zinc/03/63/13/1017036313.db2.gz	VLLZIGZTCZYQDT-AWEZNQCLSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C[S@](=O)C1(C(=O)[O-])CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC001574098175	1163635216	/nfs/dbraw/zinc/63/52/16/1163635216.db2.gz	YBOIQMZWWOEEAG-NRFANRHFSA-N	-1	0	309.347	0.324	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CC[C@@](O)(CC#N)C2)cc1=O	ZINC001452255913	1006688651	/nfs/dbraw/zinc/68/86/51/1006688651.db2.gz	ZPZLUMYDLIZFGJ-HNNXBMFYSA-N	-1	0	306.366	0.252	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@]2(C(=O)[O-])CCCOC2)o1	ZINC001574249489	1163675155	/nfs/dbraw/zinc/67/51/55/1163675155.db2.gz	JARZFSYAUWQDRA-GFCCVEGCSA-N	-1	0	314.319	0.311	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccoc2C2CC2)c(=O)[n-]c1=O	ZINC001453841169	1008753417	/nfs/dbraw/zinc/75/34/17/1008753417.db2.gz	HXDHHENBRPECES-UHFFFAOYSA-N	-1	0	314.301	0.721	20	30		DCEDRM
C=CCOc1cccnc1C(=O)NCc1nc([O-])cc(=O)[nH]1	ZINC001454188279	1008983634	/nfs/dbraw/zinc/98/36/34/1008983634.db2.gz	GVALGQZXRFHFMS-UHFFFAOYSA-N	-1	0	302.290	0.778	20	30		DCEDRM
N#Cc1ccc(N2CCC(NC(=O)c3c[n-]ncc3=O)CC2)nc1	ZINC001433662004	1009038842	/nfs/dbraw/zinc/03/88/42/1009038842.db2.gz	KZSDKRNTGVCRTE-UHFFFAOYSA-N	-1	0	324.344	0.848	20	30		DCEDRM
C[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)n1cnc2c1ncnc2N	ZINC001454684700	1009262803	/nfs/dbraw/zinc/26/28/03/1009262803.db2.gz	ZRSJGNLINJAKKR-VIFPVBQESA-N	-1	0	323.316	0.951	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](CO)[C@H]1CCOC1	ZINC001433941117	1009376960	/nfs/dbraw/zinc/37/69/60/1009376960.db2.gz	BYQWOKZUHXPFEA-CMPLNLGQSA-N	-1	0	305.334	0.342	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2CCCC2(F)F)c(=O)[n-]c1=O	ZINC001433988812	1009435963	/nfs/dbraw/zinc/43/59/63/1009435963.db2.gz	BDLOLMJWUOHWJJ-VIFPVBQESA-N	-1	0	312.276	0.372	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc(F)cc2)c(=O)[n-]c1=O	ZINC001434206642	1009661651	/nfs/dbraw/zinc/66/16/51/1009661651.db2.gz	ICSATIGEUDOIDW-UHFFFAOYSA-N	-1	0	302.265	0.390	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C2	ZINC001434307935	1009741991	/nfs/dbraw/zinc/74/19/91/1009741991.db2.gz	HIMQHTVGZXSCPR-LLVKDONJSA-N	-1	0	315.358	0.758	20	30		DCEDRM
CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCCOC1	ZINC001434318603	1009756511	/nfs/dbraw/zinc/75/65/11/1009756511.db2.gz	AVRICEBFSCTQPM-CMPLNLGQSA-N	-1	0	320.349	0.142	20	30		DCEDRM
Cc1cnc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c(C)c1	ZINC001455572556	1009828553	/nfs/dbraw/zinc/82/85/53/1009828553.db2.gz	VBRKEYXBOSWHSG-UHFFFAOYSA-N	-1	0	313.317	0.149	20	30		DCEDRM
N#CC1(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)CCOCC1	ZINC001434363302	1009835126	/nfs/dbraw/zinc/83/51/26/1009835126.db2.gz	BKFCYVCIOGMFRP-NSHDSACASA-N	-1	0	304.354	0.301	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2cnn(C[C@@H]3CCCO3)c2)c(C#N)c1=O	ZINC001434440631	1009958633	/nfs/dbraw/zinc/95/86/33/1009958633.db2.gz	HGXNKEMKYMDUKS-JTQLQIEISA-N	-1	0	316.321	0.064	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCN1CCOC1=O	ZINC001443206186	1010223021	/nfs/dbraw/zinc/22/30/21/1010223021.db2.gz	QRAHDPJOJHKSCB-UHFFFAOYSA-N	-1	0	304.306	0.539	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC1CCN(c2nc(C)cc(=O)[nH]2)CC1	ZINC001520737345	1017307975	/nfs/dbraw/zinc/30/79/75/1017307975.db2.gz	ANZBDDDNVUWBCQ-MRXNPFEDSA-N	-1	0	320.393	0.903	20	30		DCEDRM
CCCC[C@H](COC)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001444326405	1010964337	/nfs/dbraw/zinc/96/43/37/1010964337.db2.gz	XCLSIXUEHKHQMY-LLVKDONJSA-N	-1	0	308.338	0.142	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H](O)c2ccccc2F)c(C#N)c1=O	ZINC001458078461	1012068908	/nfs/dbraw/zinc/06/89/08/1012068908.db2.gz	INESCYDFKIASHT-NSHDSACASA-N	-1	0	304.281	0.230	20	30		DCEDRM
CCOC(=O)C1=CC[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001458485343	1012190663	/nfs/dbraw/zinc/19/06/63/1012190663.db2.gz	MIAKXVAKGFFFFQ-VIFPVBQESA-N	-1	0	304.306	0.009	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)C(=O)OC	ZINC001556375516	1012200062	/nfs/dbraw/zinc/20/00/62/1012200062.db2.gz	LNVXBPSYWAUMKJ-ZCFIWIBFSA-N	-1	0	320.754	0.976	20	30		DCEDRM
CC(C)OCCCN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001556705161	1012220119	/nfs/dbraw/zinc/22/01/19/1012220119.db2.gz	LDOWEWYVELGJMR-UHFFFAOYSA-N	-1	0	308.338	0.094	20	30		DCEDRM
COCCN(CC#N)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC001556908302	1012238673	/nfs/dbraw/zinc/23/86/73/1012238673.db2.gz	NDPRDKUCYQUZCG-UHFFFAOYSA-N	-1	0	317.305	0.357	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2cnc(-c3ccccc3)nc2)c1=O	ZINC001559428541	1012421812	/nfs/dbraw/zinc/42/18/12/1012421812.db2.gz	LWHYRFOAIGOCGV-UHFFFAOYSA-N	-1	0	305.297	0.914	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2ccc3c(c2)CCC(=O)N3)c1=O	ZINC001459134612	1012589766	/nfs/dbraw/zinc/58/97/66/1012589766.db2.gz	CRFMRBCYUMUTOU-UHFFFAOYSA-N	-1	0	324.296	0.176	20	30		DCEDRM
CC#CCN1CC(N(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	ZINC001499795712	1018080453	/nfs/dbraw/zinc/08/04/53/1018080453.db2.gz	URJVQFHRIFUJLS-UHFFFAOYSA-N	-1	0	319.327	0.609	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)CCN(C)CC#N)cc1=O	ZINC001496738522	1019596017	/nfs/dbraw/zinc/59/60/17/1019596017.db2.gz	GQGGLJZMZQXTLE-UHFFFAOYSA-N	-1	0	307.398	0.289	20	30		DCEDRM
COC(=O)C1(NC(=O)CC2(C#N)CC2)CCC(C(=O)[O-])CC1	ZINC001606353494	1170167762	/nfs/dbraw/zinc/16/77/62/1170167762.db2.gz	ZIFSNRJVRVBSHE-UHFFFAOYSA-N	-1	0	308.334	0.983	20	30		DCEDRM
CC[C@@H](C(=O)[O-])C(=O)OCC(=O)NCc1ccc(C#N)cc1	ZINC001609891858	1171116284	/nfs/dbraw/zinc/11/62/84/1171116284.db2.gz	LSFQYIIOXAGFSX-LBPRGKRZSA-N	-1	0	304.302	0.828	20	30		DCEDRM
CN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000270795335	529824138	/nfs/dbraw/zinc/82/41/38/529824138.db2.gz	MSHUYVTXLWOHGZ-UHFFFAOYSA-N	-1	0	323.374	0.772	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C#N)sc1C(=O)[O-]	ZINC000273739658	301387505	/nfs/dbraw/zinc/38/75/05/301387505.db2.gz	OPBJQOVVCJADAR-QMMMGPOBSA-N	-1	0	316.360	0.668	20	30		DCEDRM
COC(=O)CN(CC#N)C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000344815931	291071642	/nfs/dbraw/zinc/07/16/42/291071642.db2.gz	QRDXIQJNNASNDN-UHFFFAOYSA-N	-1	0	314.301	0.717	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(CC#N)CC1	ZINC000265796757	238205550	/nfs/dbraw/zinc/20/55/50/238205550.db2.gz	VVRJMELRMDIOSW-UHFFFAOYSA-N	-1	0	322.390	0.339	20	30		DCEDRM
N#CCCN(Cc1ccccn1)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000362108569	239096434	/nfs/dbraw/zinc/09/64/34/239096434.db2.gz	FMOKGLJMUVPYLY-UHFFFAOYSA-N	-1	0	318.362	0.940	20	30		DCEDRM
C[C@H]1CCc2ccccc2N1C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000566738108	291320813	/nfs/dbraw/zinc/32/08/13/291320813.db2.gz	TWDGUXNBVUGHJC-NSHDSACASA-N	-1	0	324.340	0.776	20	30		DCEDRM
O=C([O-])[C@H]1CCCN(C(=O)C(=O)NCC#Cc2ccccc2)C1	ZINC000420525441	240041350	/nfs/dbraw/zinc/04/13/50/240041350.db2.gz	FLHZQVQSDFBNFF-AWEZNQCLSA-N	-1	0	314.341	0.478	20	30		DCEDRM
Cc1cnn(Cc2cc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)no2)c1	ZINC000339592384	253110280	/nfs/dbraw/zinc/11/02/80/253110280.db2.gz	ADYZZBGQUHMTIY-UHFFFAOYSA-N	-1	0	322.288	0.947	20	30		DCEDRM
COc1ncc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1C(N)=O	ZINC000340969849	253330252	/nfs/dbraw/zinc/33/02/52/253330252.db2.gz	VIVBVMLPAFTZNF-UHFFFAOYSA-N	-1	0	322.302	0.455	20	30		DCEDRM
Cn1cnc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C(N)=O	ZINC000344924206	253852449	/nfs/dbraw/zinc/85/24/49/253852449.db2.gz	HKMXXIOULGYCJZ-UHFFFAOYSA-N	-1	0	305.319	0.191	20	30		DCEDRM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N	ZINC000284650191	131100873	/nfs/dbraw/zinc/10/08/73/131100873.db2.gz	DAYOPUHUCHOUBI-ZETCQYMHSA-N	-1	0	311.367	0.377	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C#N)cc1C(=O)[O-]	ZINC000273717192	395937280	/nfs/dbraw/zinc/93/72/80/395937280.db2.gz	LUYGYQZIGCEZQZ-JTQLQIEISA-N	-1	0	310.331	0.606	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000071228613	396110773	/nfs/dbraw/zinc/11/07/73/396110773.db2.gz	NDPJJCMDCPOQLF-UHFFFAOYSA-N	-1	0	316.335	0.837	20	30		DCEDRM
CC[C@@](C)(C#N)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000073225390	396143864	/nfs/dbraw/zinc/14/38/64/396143864.db2.gz	YLYOZQFMLVCTAF-AWEZNQCLSA-N	-1	0	301.306	0.754	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000263542144	396220004	/nfs/dbraw/zinc/22/00/04/396220004.db2.gz	DMBNTSMIPZQRRT-UHFFFAOYSA-N	-1	0	300.311	0.934	20	30		DCEDRM
CC(C)(CC(N)=O)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000186705559	396356288	/nfs/dbraw/zinc/35/62/88/396356288.db2.gz	XVXSPXVPGZRHSH-UHFFFAOYSA-N	-1	0	317.317	0.769	20	30		DCEDRM
CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000290683331	396469816	/nfs/dbraw/zinc/46/98/16/396469816.db2.gz	QFNGEZODGKVTOM-CYBMUJFWSA-N	-1	0	309.347	0.971	20	30		DCEDRM
CCOC[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000291007305	396477374	/nfs/dbraw/zinc/47/73/74/396477374.db2.gz	UKCWNNSHIRVPKQ-SNVBAGLBSA-N	-1	0	316.310	0.465	20	30		DCEDRM
COc1cc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)ccc1C#N	ZINC000589961470	396731745	/nfs/dbraw/zinc/73/17/45/396731745.db2.gz	OQMXHDDPGXFYEO-UHFFFAOYSA-N	-1	0	301.262	0.093	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C	ZINC000313406306	396769035	/nfs/dbraw/zinc/76/90/35/396769035.db2.gz	SNYWUNRRZZTRTD-UHFFFAOYSA-N	-1	0	308.315	0.546	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000629777031	396829552	/nfs/dbraw/zinc/82/95/52/396829552.db2.gz	ZVYACKRPUVJOGT-VXGBXAGGSA-N	-1	0	312.366	0.217	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC[C@@H]1C(=O)[O-]	ZINC000600799379	396943801	/nfs/dbraw/zinc/94/38/01/396943801.db2.gz	VXURNEOVAIAFRC-ZETOZRRWSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(C#N)CC2)CC[C@H]1C(=O)[O-]	ZINC000600800994	396944836	/nfs/dbraw/zinc/94/48/36/396944836.db2.gz	PFUWXWIXJDNRFD-VXGBXAGGSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-]	ZINC000630318622	396984789	/nfs/dbraw/zinc/98/47/89/396984789.db2.gz	KKNVPOKDCZZCOC-LBPRGKRZSA-N	-1	0	316.317	0.327	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1C#N	ZINC000597609131	397031863	/nfs/dbraw/zinc/03/18/63/397031863.db2.gz	GJOFCPUPDONSQJ-SECBINFHSA-N	-1	0	317.305	0.892	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H](CO)[C@H]2CCOC2)s1	ZINC000619548642	397147757	/nfs/dbraw/zinc/14/77/57/397147757.db2.gz	HWJCWJRGPFREIH-VHSXEESVSA-N	-1	0	316.404	0.543	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(CCC#N)CC2)C1	ZINC000592427921	397174139	/nfs/dbraw/zinc/17/41/39/397174139.db2.gz	YTKKOYZEURIGOD-MRXNPFEDSA-N	-1	0	321.377	0.852	20	30		DCEDRM
Cn1nccc1[C@@H](NS(=O)(=O)CC(C)(C)CC#N)C(=O)[O-]	ZINC000592457220	397183362	/nfs/dbraw/zinc/18/33/62/397183362.db2.gz	BMFSZFGHGXFKQX-SNVBAGLBSA-N	-1	0	314.367	0.405	20	30		DCEDRM
C[C@H]1CCC[C@@H](N(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602053824	397291061	/nfs/dbraw/zinc/29/10/61/397291061.db2.gz	CQVBCAUSVAXPNZ-CMPLNLGQSA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2Cc3ccccc3C2)c(=O)[n-]c1=O	ZINC000602094143	397298706	/nfs/dbraw/zinc/29/87/06/397298706.db2.gz	MBTDHRXAZVDOBP-UHFFFAOYSA-N	-1	0	310.313	0.753	20	30		DCEDRM
CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000593269404	397345672	/nfs/dbraw/zinc/34/56/72/397345672.db2.gz	GEVIVZGSJBQESI-GHMZBOCLSA-N	-1	0	305.400	0.896	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](CC1CCC1)C(=O)[O-]	ZINC000593272347	397346228	/nfs/dbraw/zinc/34/62/28/397346228.db2.gz	IDRVTIZEBFIACT-KOLCDFICSA-N	-1	0	303.384	0.556	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)CC1	ZINC000577650515	397350283	/nfs/dbraw/zinc/35/02/83/397350283.db2.gz	WCQOQHHVDICKJQ-WDEREUQCSA-N	-1	0	316.379	0.168	20	30		DCEDRM
CSC[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602160127	397327381	/nfs/dbraw/zinc/32/73/81/397327381.db2.gz	LVNNPOQOZSIUQL-SNVBAGLBSA-N	-1	0	322.390	0.422	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000578197415	397404149	/nfs/dbraw/zinc/40/41/49/397404149.db2.gz	JYDIPGPJCJIOFB-IUCAKERBSA-N	-1	0	307.397	0.172	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@](C)(CC)C(=O)[O-]	ZINC000579361468	397558490	/nfs/dbraw/zinc/55/84/90/397558490.db2.gz	ZTFZTXUEMGHWBX-PWSUYJOCSA-N	-1	0	305.400	0.803	20	30		DCEDRM
N#CC(=C([O-])c1cn(CC(N)=O)nn1)c1ccc2ccccc2n1	ZINC000608552814	397737536	/nfs/dbraw/zinc/73/75/36/397737536.db2.gz	QMSUMNGKDGEXJD-LLVKDONJSA-N	-1	0	320.312	0.802	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)cc1	ZINC000120451917	158199388	/nfs/dbraw/zinc/19/93/88/158199388.db2.gz	PIYWUUBOMFXAJT-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000134704228	158329672	/nfs/dbraw/zinc/32/96/72/158329672.db2.gz	DGLSYJCILPYWTR-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
N#Cc1ccc(O[C@H]2CCN(C(=O)NCCC(=O)[O-])C2)nc1	ZINC000263334003	158872517	/nfs/dbraw/zinc/87/25/17/158872517.db2.gz	CZJAHCVWUICHDY-NSHDSACASA-N	-1	0	304.306	0.591	20	30		DCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCCOC1	ZINC000408488790	160118938	/nfs/dbraw/zinc/11/89/38/160118938.db2.gz	OIVXGLXMOVMIDV-ZDUSSCGKSA-N	-1	0	309.347	0.575	20	30		DCEDRM
CCc1nnc(CNS(=O)(=O)N(CC)C[C@@H](C)C#N)s1	ZINC000352564738	415228165	/nfs/dbraw/zinc/22/81/65/415228165.db2.gz	HVLWPLGATSXKSQ-VIFPVBQESA-N	-1	0	317.440	0.916	20	30		DCEDRM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C#N)ccn2)cn1	ZINC000352880193	415357352	/nfs/dbraw/zinc/35/73/52/415357352.db2.gz	ZYEDKEHMVISETN-UHFFFAOYSA-N	-1	0	321.318	0.124	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000071228112	415411116	/nfs/dbraw/zinc/41/11/16/415411116.db2.gz	QYZUFMGZOOCMIA-LLVKDONJSA-N	-1	0	319.383	0.032	20	30		DCEDRM
CC[C@@](C)(C#N)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O	ZINC000127459849	415889922	/nfs/dbraw/zinc/88/99/22/415889922.db2.gz	WJCOALOLBNIKDH-INIZCTEOSA-N	-1	0	314.345	0.888	20	30		DCEDRM
CCOC(=O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000125291350	415864153	/nfs/dbraw/zinc/86/41/53/415864153.db2.gz	VDMNCWMUXQWSSS-UHFFFAOYSA-N	-1	0	304.274	0.678	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)CNc2ccc(C#N)cc2)n[n-]1	ZINC000338115154	416046311	/nfs/dbraw/zinc/04/63/11/416046311.db2.gz	ODWHBXQSBUDXFN-UHFFFAOYSA-N	-1	0	320.334	0.130	20	30		DCEDRM
COC(=O)c1cnccc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000357403842	416074422	/nfs/dbraw/zinc/07/44/22/416074422.db2.gz	VBQZTRFPRCAABB-UHFFFAOYSA-N	-1	0	307.287	0.556	20	30		DCEDRM
C#CCN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CCCC1	ZINC000163923187	416017777	/nfs/dbraw/zinc/01/77/77/416017777.db2.gz	DSKGSAYHMJXTCX-UHFFFAOYSA-N	-1	0	312.329	0.629	20	30		DCEDRM
CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C#N)cc2)C1=O	ZINC000298642857	416020289	/nfs/dbraw/zinc/02/02/89/416020289.db2.gz	FWTMZPIZVOAHFA-CYBMUJFWSA-N	-1	0	322.346	0.472	20	30		DCEDRM
C[C@H]1COCCN1CC/N=C(/[O-])c1cnc2n(c1=O)CCS2	ZINC000329128728	416150941	/nfs/dbraw/zinc/15/09/41/416150941.db2.gz	ZQDMLEBHKDADFQ-JTQLQIEISA-N	-1	0	324.406	0.374	20	30		DCEDRM
COCCn1[n-]c(C)c(C(=O)Nc2ccc(C#N)cc2)c1=O	ZINC000182237370	416216090	/nfs/dbraw/zinc/21/60/90/416216090.db2.gz	BTKLBUXFMJFDCJ-ZDUSSCGKSA-N	-1	0	300.318	0.977	20	30		DCEDRM
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC(=O)[O-]	ZINC000422650424	416444605	/nfs/dbraw/zinc/44/46/05/416444605.db2.gz	NSQMHRXJNLEKFT-UHFFFAOYSA-N	-1	0	305.290	0.485	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1C#N	ZINC000422654745	416445547	/nfs/dbraw/zinc/44/55/47/416445547.db2.gz	OLEXZGDFEWXKPP-SNVBAGLBSA-N	-1	0	301.302	0.738	20	30		DCEDRM
COc1cccc(C(=O)NCC(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC000438677562	416601685	/nfs/dbraw/zinc/60/16/85/416601685.db2.gz	FNOUKNUKRVLUGB-UHFFFAOYSA-N	-1	0	324.300	0.530	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H](CC)[C@@H]1CCCO1)C(=O)[O-]	ZINC000562457312	416867659	/nfs/dbraw/zinc/86/76/59/416867659.db2.gz	HSYCCJXWDDJVSH-WOPDTQHZSA-N	-1	0	300.355	0.899	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)cc1[O-]	ZINC000615423326	416827848	/nfs/dbraw/zinc/82/78/48/416827848.db2.gz	VUYYFVYILWVLHF-UHFFFAOYSA-N	-1	0	324.296	0.714	20	30		DCEDRM
C=CCn1c(C)cc(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)c1C	ZINC000564966763	416896951	/nfs/dbraw/zinc/89/69/51/416896951.db2.gz	QNIYXGPSESYUIE-UHFFFAOYSA-N	-1	0	312.329	0.896	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000519694679	416925910	/nfs/dbraw/zinc/92/59/10/416925910.db2.gz	XLVYHOXRCCUQOZ-CHWSQXEVSA-N	-1	0	323.374	0.979	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(CCOC)[C@H](C)C(=O)[O-]	ZINC000568001644	417073249	/nfs/dbraw/zinc/07/32/49/417073249.db2.gz	DBDQXMFBWMCDEF-GHMZBOCLSA-N	-1	0	321.399	0.134	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000643440527	417208736	/nfs/dbraw/zinc/20/87/36/417208736.db2.gz	BGPIUKGUUGMUNJ-UHFFFAOYSA-N	-1	0	306.318	0.951	20	30		DCEDRM
COCC(COC)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000451891676	417412896	/nfs/dbraw/zinc/41/28/96/417412896.db2.gz	SVKHEZOPAIDQDD-UHFFFAOYSA-N	-1	0	320.317	0.776	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCc1cccc2c1OCO2)C(=O)[O-]	ZINC000572098267	417456128	/nfs/dbraw/zinc/45/61/28/417456128.db2.gz	LWFHMPCQTYWOHG-LLVKDONJSA-N	-1	0	322.317	0.870	20	30		DCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000662909222	417947918	/nfs/dbraw/zinc/94/79/18/417947918.db2.gz	JGXWXAYENASEQW-BFQNTYOBSA-N	-1	0	322.361	0.113	20	30		DCEDRM
C=CCOCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000659409390	418093791	/nfs/dbraw/zinc/09/37/91/418093791.db2.gz	DEVKJSWSWHKMML-UHFFFAOYSA-N	-1	0	300.355	0.760	20	30		DCEDRM
C=CCn1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)nn1	ZINC000648893009	418171560	/nfs/dbraw/zinc/17/15/60/418171560.db2.gz	BBCPNTYBPVJGBM-VIFPVBQESA-N	-1	0	303.326	0.308	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)CC2)C(=O)[O-]	ZINC000656157737	418331751	/nfs/dbraw/zinc/33/17/51/418331751.db2.gz	SETMRSNDKJKUKQ-ZDUSSCGKSA-N	-1	0	321.354	0.960	20	30		DCEDRM
C=CC[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1	ZINC000656718888	418372685	/nfs/dbraw/zinc/37/26/85/418372685.db2.gz	VYBUCSDISGAQEO-LLVKDONJSA-N	-1	0	313.379	0.945	20	30		DCEDRM
Cc1noc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)n1	ZINC000428073764	268099388	/nfs/dbraw/zinc/09/93/88/268099388.db2.gz	FVYSINREPKSYKJ-UHFFFAOYSA-N	-1	0	323.290	0.636	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000436653129	271603751	/nfs/dbraw/zinc/60/37/51/271603751.db2.gz	AEZKNYDNWAKTIW-UHFFFAOYSA-N	-1	0	302.250	0.194	20	30		DCEDRM
CC[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000548207747	288121180	/nfs/dbraw/zinc/12/11/80/288121180.db2.gz	MQROSUBELGLGIL-LLVKDONJSA-N	-1	0	300.311	0.980	20	30		DCEDRM
N#Cc1c(Cl)cccc1S(=O)(=O)N1CC(C(=O)[O-])C1	ZINC000548216398	288122232	/nfs/dbraw/zinc/12/22/32/288122232.db2.gz	OVKHMTNFSRXSQZ-UHFFFAOYSA-N	-1	0	300.723	0.917	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000548550644	288153050	/nfs/dbraw/zinc/15/30/50/288153050.db2.gz	OLUXNPXNOBLXAK-SECBINFHSA-N	-1	0	302.283	0.075	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000548769790	288174765	/nfs/dbraw/zinc/17/47/65/288174765.db2.gz	IYTHOOWHHVVUAP-SECBINFHSA-N	-1	0	300.292	0.252	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2cc(C#N)ncn2)C1=O	ZINC000561087866	288525663	/nfs/dbraw/zinc/52/56/63/288525663.db2.gz	SXWNYZOKJQVANY-PWSUYJOCSA-N	-1	0	303.322	0.470	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCOC[C@H]2C#N)sc1C(=O)[O-]	ZINC000273739656	301388538	/nfs/dbraw/zinc/38/85/38/301388538.db2.gz	OPBJQOVVCJADAR-MRVPVSSYSA-N	-1	0	316.360	0.668	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1C#N	ZINC000275299444	302011612	/nfs/dbraw/zinc/01/16/12/302011612.db2.gz	NAGNJZXUGQRLDH-LLVKDONJSA-N	-1	0	310.331	0.341	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2CCCCC[C@@H]2C(=O)[O-])c1	ZINC000290763303	303213788	/nfs/dbraw/zinc/21/37/88/303213788.db2.gz	ZPQZZIAYXLBHRQ-GFCCVEGCSA-N	-1	0	309.347	0.971	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000570531926	332769409	/nfs/dbraw/zinc/76/94/09/332769409.db2.gz	SEYBNBYUIGGIPV-SCZZXKLOSA-N	-1	0	316.317	0.818	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCCCC1	ZINC000580044275	332912065	/nfs/dbraw/zinc/91/20/65/332912065.db2.gz	KPZMMRIBWDCTET-NSHDSACASA-N	-1	0	316.379	0.576	20	30		DCEDRM
CCC[C@@H]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)[C@H]1C(=O)[O-]	ZINC000566312160	332335082	/nfs/dbraw/zinc/33/50/82/332335082.db2.gz	OTYLBOCYKSTWKU-QJPTWQEYSA-N	-1	0	317.411	0.898	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)[O-]	ZINC000583359888	332351674	/nfs/dbraw/zinc/35/16/74/332351674.db2.gz	YTWACUPDMBBJRS-NDBYEHHHSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](CC(C)(C)C)C(=O)[O-]	ZINC000578538564	332386958	/nfs/dbraw/zinc/38/69/58/332386958.db2.gz	YWZQIRVGKIBDPU-NXEZZACHSA-N	-1	0	305.400	0.944	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F	ZINC000570215439	332727843	/nfs/dbraw/zinc/72/78/43/332727843.db2.gz	HMLOQHVCLJHWOR-JGVFFNPUSA-N	-1	0	313.326	0.268	20	30		DCEDRM
C=CCCOCCNS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC000563068830	333281008	/nfs/dbraw/zinc/28/10/08/333281008.db2.gz	NQUNPYIPVGSABZ-UHFFFAOYSA-N	-1	0	300.336	0.651	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1COc2ccccc2C1)C(=O)[O-]	ZINC000580390554	336264600	/nfs/dbraw/zinc/26/46/00/336264600.db2.gz	ASHRCQWPRKTAIM-OLZOCXBDSA-N	-1	0	320.345	0.945	20	30		DCEDRM
CSCC[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000583206603	337270967	/nfs/dbraw/zinc/27/09/67/337270967.db2.gz	KZFPCRNQDODDEV-RKDXNWHRSA-N	-1	0	309.413	0.261	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)s1	ZINC000584507799	337352392	/nfs/dbraw/zinc/35/23/92/337352392.db2.gz	XXFWJHWPEZXNFH-OIBJUYFYSA-N	-1	0	316.360	0.388	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)NCC#Cc1cccc(F)c1)C(=O)[O-]	ZINC000420577536	337508061	/nfs/dbraw/zinc/50/80/61/337508061.db2.gz	GERWDNKENFJOGZ-NSHDSACASA-N	-1	0	320.320	0.473	20	30		DCEDRM
C=CCN(CCc1ccccc1)C(=O)C(=O)NCCC(=O)[O-]	ZINC000420595157	337508370	/nfs/dbraw/zinc/50/83/70/337508370.db2.gz	DTPLOUJBHMXFCN-UHFFFAOYSA-N	-1	0	304.346	0.835	20	30		DCEDRM
C=CCCC[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424456841	337834290	/nfs/dbraw/zinc/83/42/90/337834290.db2.gz	XMYIWWQHZIOCRD-MNOVXSKESA-N	-1	0	318.395	0.624	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424489286	337840324	/nfs/dbraw/zinc/84/03/24/337840324.db2.gz	PVCFTFYWAJVEMK-UHFFFAOYSA-N	-1	0	300.355	0.312	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CC1CN(C(=O)OC(C)(C)C)C1	ZINC000495573375	339987513	/nfs/dbraw/zinc/98/75/13/339987513.db2.gz	ZRHGRBXGUUTYMU-UHFFFAOYSA-N	-1	0	318.395	0.875	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@]1(COC)CCN(C(=O)OC(C)(C)C)C1	ZINC000496217443	340000776	/nfs/dbraw/zinc/00/07/76/340000776.db2.gz	PWKOXYZHCRPNCE-HNNXBMFYSA-N	-1	0	312.366	0.941	20	30		DCEDRM
CC(=O)Nc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)ccn1	ZINC000528914481	340738935	/nfs/dbraw/zinc/73/89/35/340738935.db2.gz	KRWXAFLLSWQBEC-GFCCVEGCSA-N	-1	0	300.318	0.985	20	30		DCEDRM
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C#N	ZINC000546960270	341188703	/nfs/dbraw/zinc/18/87/03/341188703.db2.gz	XOWCPDJWGJZWAC-VIFPVBQESA-N	-1	0	312.347	0.760	20	30		DCEDRM
C=C(C)COCCNS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC000567794381	341633778	/nfs/dbraw/zinc/63/37/78/341633778.db2.gz	VYPDYAXVPXKBII-UHFFFAOYSA-N	-1	0	300.336	0.651	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001603576116	1159785508	/nfs/dbraw/zinc/78/55/08/1159785508.db2.gz	ZMBQHRMMZQVXEC-ZJUUUORDSA-N	-1	0	304.368	0.023	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC001609258039	1159814856	/nfs/dbraw/zinc/81/48/56/1159814856.db2.gz	XBGODVUDOYMPAG-ZJUUUORDSA-N	-1	0	305.352	0.231	20	30		DCEDRM
COC(=O)C1([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000131751040	522859172	/nfs/dbraw/zinc/85/91/72/522859172.db2.gz	GKFMHTLHYMFLIJ-UHFFFAOYSA-N	-1	0	316.285	0.820	20	30		DCEDRM
C=C(C)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000355928910	526613274	/nfs/dbraw/zinc/61/32/74/526613274.db2.gz	IMYRNTHMPIOFNE-UHFFFAOYSA-N	-1	0	304.318	0.935	20	30		DCEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1	ZINC000160690177	526633552	/nfs/dbraw/zinc/63/35/52/526633552.db2.gz	QWEQCTJJIXCHRZ-VIFPVBQESA-N	-1	0	318.738	0.326	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263064315	526786434	/nfs/dbraw/zinc/78/64/34/526786434.db2.gz	QUIJLTNHKTULJH-GFCCVEGCSA-N	-1	0	324.289	0.746	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-]	ZINC000262916723	526803605	/nfs/dbraw/zinc/80/36/05/526803605.db2.gz	FVXMSYJGIKZURR-ZDUSSCGKSA-N	-1	0	320.345	0.117	20	30		DCEDRM
C#C[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000185299022	527344459	/nfs/dbraw/zinc/34/44/59/527344459.db2.gz	YYZZFLVZOIUJRO-NSHDSACASA-N	-1	0	322.386	0.928	20	30		DCEDRM
C=CCC[C@@H](NC(=O)CN1C(=O)COc2ccccc21)C(=O)[O-]	ZINC000262870759	527437146	/nfs/dbraw/zinc/43/71/46/527437146.db2.gz	JQAJEYLUSXMLDZ-LLVKDONJSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)[C@@H]1C(=O)[O-]	ZINC000235600467	545950781	/nfs/dbraw/zinc/95/07/81/545950781.db2.gz	FKFOYRQBOVGQGB-CABZTGNLSA-N	-1	0	309.347	0.827	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)CC1	ZINC000575445422	546298843	/nfs/dbraw/zinc/29/88/43/546298843.db2.gz	WJCKHOXRQHEMEK-GWCFXTLKSA-N	-1	0	314.363	0.043	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)C1Cc2ccccc2C1)C(=O)[O-]	ZINC000681578445	548266194	/nfs/dbraw/zinc/26/61/94/548266194.db2.gz	CUJLVANGTHESHN-AWEZNQCLSA-N	-1	0	307.371	0.940	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC000819100654	597428613	/nfs/dbraw/zinc/42/86/13/597428613.db2.gz	XFERTMPDEWGWBB-LBPRGKRZSA-N	-1	0	307.281	0.692	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000818576606	597523668	/nfs/dbraw/zinc/52/36/68/597523668.db2.gz	QIKBTJXDCFCEFQ-SNVBAGLBSA-N	-1	0	317.301	0.438	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(c2ccccn2)C1	ZINC000819834431	597603401	/nfs/dbraw/zinc/60/34/01/597603401.db2.gz	NFEPNYVNZRLYCE-IAQYHMDHSA-N	-1	0	302.334	0.781	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819954824	597625071	/nfs/dbraw/zinc/62/50/71/597625071.db2.gz	AWKDYJBILDLLLJ-KGLIPLIRSA-N	-1	0	309.322	0.589	20	30		DCEDRM
CCc1nc2n(n1)C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000820498576	597647486	/nfs/dbraw/zinc/64/74/86/597647486.db2.gz	QJHSMVJKKRXATF-XPTSAGLGSA-N	-1	0	305.338	0.276	20	30		DCEDRM
CCc1nc2n(n1)C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000820498575	597647741	/nfs/dbraw/zinc/64/77/41/597647741.db2.gz	QJHSMVJKKRXATF-OTYXRUKQSA-N	-1	0	305.338	0.276	20	30		DCEDRM
CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000820377640	597650271	/nfs/dbraw/zinc/65/02/71/597650271.db2.gz	CKVWZPCQJCYIIN-JMSVASOKSA-N	-1	0	324.377	0.769	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](Cn2ccnn2)C1	ZINC000819811272	597658056	/nfs/dbraw/zinc/65/80/56/597658056.db2.gz	MPDQURUOIFVOSF-RISCZKNCSA-N	-1	0	305.338	0.521	20	30		DCEDRM
C[C@H]1CC(=NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)NO1	ZINC000820228706	598057585	/nfs/dbraw/zinc/05/75/85/598057585.db2.gz	SCPDVIIWXIMHJA-CABZTGNLSA-N	-1	0	316.317	0.944	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(S(C)(=O)=O)cc1	ZINC000819843134	598225196	/nfs/dbraw/zinc/22/51/96/598225196.db2.gz	YLLYDRGYXPXZQB-AWEZNQCLSA-N	-1	0	324.358	0.711	20	30		DCEDRM
CN(CC#N)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000737386662	599770616	/nfs/dbraw/zinc/77/06/16/599770616.db2.gz	MIHJSCRVFXBCCO-CQSZACIVSA-N	-1	0	314.345	0.735	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCO1	ZINC000093932586	599981288	/nfs/dbraw/zinc/98/12/88/599981288.db2.gz	IHMUNVCXGYZMQR-LBPRGKRZSA-N	-1	0	310.331	0.439	20	30		DCEDRM
N#CCc1ccc(NC(=O)COC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000739091093	600174308	/nfs/dbraw/zinc/17/43/08/600174308.db2.gz	FNNHXLGOSYCZIC-RYUDHWBXSA-N	-1	0	302.286	0.955	20	30		DCEDRM
C#Cc1ccc(C(=O)OCc2noc(CCC(=O)[O-])n2)nc1	ZINC000736090709	600192055	/nfs/dbraw/zinc/19/20/55/600192055.db2.gz	HQIIELIZCRPGPS-UHFFFAOYSA-N	-1	0	301.258	0.820	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)SCc1noc(CCCC(=O)[O-])n1	ZINC000736080736	600353576	/nfs/dbraw/zinc/35/35/76/600353576.db2.gz	XGSGUAUDVHMGDS-SECBINFHSA-N	-1	0	311.363	0.848	20	30		DCEDRM
O=C([O-])C1(NC(=O)CCNC(=O)C2N=CC=CC2=O)CCCC1	ZINC000739249449	600388675	/nfs/dbraw/zinc/38/86/75/600388675.db2.gz	WPJHSINESXEFIT-OUKQBFOZSA-N	-1	0	321.333	0.417	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCn1cnc2ccccc2c1=O	ZINC000739077117	600403771	/nfs/dbraw/zinc/40/37/71/600403771.db2.gz	IBLBUWUWYCQYFP-UHFFFAOYSA-N	-1	0	314.301	0.223	20	30		DCEDRM
C[C@H](CC(=O)N(CC#N)CC(=O)[O-])NC(=O)c1ccccc1	ZINC000736546443	600404173	/nfs/dbraw/zinc/40/41/73/600404173.db2.gz	WTKJXXRFJLWRTI-LLVKDONJSA-N	-1	0	303.318	0.632	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCc1nc(-c2ccccn2)no1	ZINC000739078155	600406794	/nfs/dbraw/zinc/40/67/94/600406794.db2.gz	YLPYDTCPORBLEI-UHFFFAOYSA-N	-1	0	315.289	0.501	20	30		DCEDRM
N#CCCCCS(=O)(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000739070262	600520951	/nfs/dbraw/zinc/52/09/51/600520951.db2.gz	YHMGJWPMDNIHBX-LBPRGKRZSA-N	-1	0	318.395	0.966	20	30		DCEDRM
CC(C)N(CCC(=O)[O-])C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000736460938	600669921	/nfs/dbraw/zinc/66/99/21/600669921.db2.gz	CWDXSUDXRIENPP-PFONDFGASA-N	-1	0	323.349	0.615	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000737699455	600764456	/nfs/dbraw/zinc/76/44/56/600764456.db2.gz	CDXREZLJONJDGB-UHFFFAOYSA-N	-1	0	312.303	0.072	20	30		DCEDRM
COC(=O)CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)o2)NC(=S)N1	ZINC000831143497	600782930	/nfs/dbraw/zinc/78/29/30/600782930.db2.gz	CLVGTNDQWSTLBF-LLVKDONJSA-N	-1	0	321.314	0.572	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000739077191	600788428	/nfs/dbraw/zinc/78/84/28/600788428.db2.gz	KFZLQHICPDKITE-AWEZNQCLSA-N	-1	0	317.345	0.324	20	30		DCEDRM
CCCN(CC(=O)[O-])C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000758299162	600905505	/nfs/dbraw/zinc/90/55/05/600905505.db2.gz	QIYKTLHWKZGMAX-YPKPFQOOSA-N	-1	0	309.322	0.226	20	30		DCEDRM
COC(=O)c1ccccc1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000831457635	601004199	/nfs/dbraw/zinc/00/41/99/601004199.db2.gz	OMGNXFGBYYQTNP-UHFFFAOYSA-N	-1	0	305.290	0.322	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1nc2c(s1)CCCC2	ZINC000833066491	601005091	/nfs/dbraw/zinc/00/50/91/601005091.db2.gz	ATLPZFHJFLBZIL-UHFFFAOYSA-N	-1	0	308.363	0.871	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)CN1CCSC[C@H]1CC(=O)[O-]	ZINC000314070433	601015811	/nfs/dbraw/zinc/01/58/11/601015811.db2.gz	CEWLYRKXRMBRHS-GFCCVEGCSA-N	-1	0	324.406	0.534	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000825687261	601177178	/nfs/dbraw/zinc/17/71/78/601177178.db2.gz	HPTTUUZFVKRUGR-VHSXEESVSA-N	-1	0	312.322	0.432	20	30		DCEDRM
CS(=O)(=O)c1ccc([C@@H](O)CN(CC#N)CC(=O)[O-])cc1	ZINC000832716090	601226121	/nfs/dbraw/zinc/22/61/21/601226121.db2.gz	FGZVLAYNLZGOLB-LBPRGKRZSA-N	-1	0	312.347	0.034	20	30		DCEDRM
COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000831696689	601236520	/nfs/dbraw/zinc/23/65/20/601236520.db2.gz	HVIOQYJPBLRTSN-IJLUTSLNSA-N	-1	0	310.350	0.739	20	30		DCEDRM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCO[C@H](C#N)C2)c1C	ZINC000316443928	601238410	/nfs/dbraw/zinc/23/84/10/601238410.db2.gz	VKPWLXZQXFDTRS-GFCCVEGCSA-N	-1	0	324.358	0.915	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2ccnc(C(=O)[O-])c2)CCN1C1CC1	ZINC000833062946	601286954	/nfs/dbraw/zinc/28/69/54/601286954.db2.gz	RJRHABILXFBDGP-GFCCVEGCSA-N	-1	0	300.318	0.592	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@H](C(=O)[O-])C1	ZINC000818500515	601314350	/nfs/dbraw/zinc/31/43/50/601314350.db2.gz	NTVSWVWTOFZLHU-STQMWFEESA-N	-1	0	304.302	0.558	20	30		DCEDRM
Cn1nc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1=O	ZINC000833060027	601349633	/nfs/dbraw/zinc/34/96/33/601349633.db2.gz	MEBNOIYMUHAKML-ZDUSSCGKSA-N	-1	0	313.269	0.635	20	30		DCEDRM
Cn1cc(C(=O)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cn1	ZINC000833042194	601351114	/nfs/dbraw/zinc/35/11/14/601351114.db2.gz	YMNOLIIZJNGRGT-CYBMUJFWSA-N	-1	0	313.269	0.844	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)ON=C(N)COc1cccc(C(=O)[O-])c1	ZINC000825619971	601374334	/nfs/dbraw/zinc/37/43/34/601374334.db2.gz	RXGAEWBWPPRNJK-SNVBAGLBSA-N	-1	0	319.317	0.400	20	30		DCEDRM
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@H](CC(=O)[O-])C1	ZINC000825996123	601456451	/nfs/dbraw/zinc/45/64/51/601456451.db2.gz	VWTUZENTQMVSKH-QWHCGFSZSA-N	-1	0	323.393	0.893	20	30		DCEDRM
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000831085022	601573975	/nfs/dbraw/zinc/57/39/75/601573975.db2.gz	VOWSPGBVUOUOEB-ZFWWWQNUSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C#CCN1CCN(C(=O)CNc2cccc(F)c2C(=O)[O-])CC1	ZINC000825619860	601578417	/nfs/dbraw/zinc/57/84/17/601578417.db2.gz	QALRPCFKXXLSFK-UHFFFAOYSA-N	-1	0	319.336	0.713	20	30		DCEDRM
N#CCN1CCC(CNC(=O)c2ccc(C(=O)[O-])cn2)CC1	ZINC000833067006	601677018	/nfs/dbraw/zinc/67/70/18/601677018.db2.gz	NROVHXKOUJHMRB-UHFFFAOYSA-N	-1	0	302.334	0.745	20	30		DCEDRM
C[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1C(=O)[O-]	ZINC000828341294	601763565	/nfs/dbraw/zinc/76/35/65/601763565.db2.gz	PFINGIQGTKGTAS-ZWNOBZJWSA-N	-1	0	315.329	0.467	20	30		DCEDRM
CNC(=O)N1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000831000435	601843873	/nfs/dbraw/zinc/84/38/73/601843873.db2.gz	FYSKETCGCZBKKS-ZDUSSCGKSA-N	-1	0	302.334	0.641	20	30		DCEDRM
C[C@H](C#N)C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1	ZINC000825966624	601990270	/nfs/dbraw/zinc/99/02/70/601990270.db2.gz	IJJHKMGZUBGIQZ-SNVBAGLBSA-N	-1	0	324.358	0.462	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000831541328	602296275	/nfs/dbraw/zinc/29/62/75/602296275.db2.gz	UTQHUIZHJJTJNX-ZDUSSCGKSA-N	-1	0	307.262	0.951	20	30		DCEDRM
N#Cc1cc(Br)ccc1OCC(=O)NCC(=O)[O-]	ZINC000821324460	602314149	/nfs/dbraw/zinc/31/41/49/602314149.db2.gz	FVOGFUUKARSRIQ-UHFFFAOYSA-N	-1	0	313.107	0.900	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]1CNC(=O)[O-]	ZINC000831156724	603148072	/nfs/dbraw/zinc/14/80/72/603148072.db2.gz	ITNYILLJBGNMLI-NSHDSACASA-N	-1	0	309.347	0.979	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)s1	ZINC000831122861	603436872	/nfs/dbraw/zinc/43/68/72/603436872.db2.gz	UMFNJZWVLMABSY-UHFFFAOYSA-N	-1	0	322.346	0.172	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)CN1CCC[C@H]1CNC(=O)[O-]	ZINC000831097731	603572424	/nfs/dbraw/zinc/57/24/24/603572424.db2.gz	RXJUBQKNKNNNSX-LBPRGKRZSA-N	-1	0	307.354	0.374	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2c(c1)OCO2	ZINC000831087514	603593149	/nfs/dbraw/zinc/59/31/49/603593149.db2.gz	MPLOPUCDINLKEV-SNVBAGLBSA-N	-1	0	303.274	0.743	20	30		DCEDRM
CN1CCN(C(=O)Nc2ccc(C#N)cc2)[C@H](CNC(=O)[O-])C1	ZINC000828507353	603596643	/nfs/dbraw/zinc/59/66/43/603596643.db2.gz	PPCHXAOZUSPOKP-CYBMUJFWSA-N	-1	0	317.349	0.974	20	30		DCEDRM
COCc1nc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cs1	ZINC000829045091	603601375	/nfs/dbraw/zinc/60/13/75/603601375.db2.gz	RADCGWAVDLGVSY-MRVPVSSYSA-N	-1	0	310.335	0.617	20	30		DCEDRM
Cc1cc(C)n([C@H](C)C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000830018499	603601400	/nfs/dbraw/zinc/60/14/00/603601400.db2.gz	YLWANDWHHJDIIJ-VXGBXAGGSA-N	-1	0	305.338	0.775	20	30		DCEDRM
COC(=O)[C@H](OC(=O)CCNC(=O)[O-])c1cccc(C#N)c1	ZINC000828611871	603612437	/nfs/dbraw/zinc/61/24/37/603612437.db2.gz	FECNOQPYWYBPKT-GFCCVEGCSA-N	-1	0	306.274	0.973	20	30		DCEDRM
N#CCOc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1	ZINC000831109819	603666431	/nfs/dbraw/zinc/66/64/31/603666431.db2.gz	VWPOXCHBYKUOOJ-PWSUYJOCSA-N	-1	0	305.290	0.641	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000831118448	603672655	/nfs/dbraw/zinc/67/26/55/603672655.db2.gz	ZIFBEUKUEDGIIE-SNVBAGLBSA-N	-1	0	320.280	0.504	20	30		DCEDRM
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNC(=O)[O-]	ZINC000826086725	603736921	/nfs/dbraw/zinc/73/69/21/603736921.db2.gz	BQTHVPXXKSFQLB-SNVBAGLBSA-N	-1	0	318.337	0.043	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[O-]	ZINC000823455794	603799476	/nfs/dbraw/zinc/79/94/76/603799476.db2.gz	FVOOPKNFBJDQCR-AAEUAGOBSA-N	-1	0	318.329	0.546	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1	ZINC000831102142	603915737	/nfs/dbraw/zinc/91/57/37/603915737.db2.gz	AFUPFTYELLTYMD-SMDDNHRTSA-N	-1	0	312.345	0.430	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1	ZINC000831102457	603920466	/nfs/dbraw/zinc/92/04/66/603920466.db2.gz	KGGSDYVSRFZHML-OLZOCXBDSA-N	-1	0	308.382	0.774	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)C[C@H]1CCCN1C(=O)[O-])C1CC1	ZINC000823648675	603935982	/nfs/dbraw/zinc/93/59/82/603935982.db2.gz	VEFWKULSCCYSHW-IAQYHMDHSA-N	-1	0	323.349	0.871	20	30		DCEDRM
C[C@@]1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN(C(=O)[O-])C1	ZINC000825657716	603939179	/nfs/dbraw/zinc/93/91/79/603939179.db2.gz	VVAHHIGOVZFWFB-IUODEOHRSA-N	-1	0	306.366	0.575	20	30		DCEDRM
C#CCN(CC#CC)C(=O)NCCCN1CCN(C(=O)[O-])CC1	ZINC000823451487	604008180	/nfs/dbraw/zinc/00/81/80/604008180.db2.gz	WWMOYYLXVVUTNM-UHFFFAOYSA-N	-1	0	320.393	0.340	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CSc1nncs1	ZINC000831082094	604067723	/nfs/dbraw/zinc/06/77/23/604067723.db2.gz	IFLJTEYTZOSBDV-ZETCQYMHSA-N	-1	0	313.364	0.345	20	30		DCEDRM
COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)C1	ZINC000828631146	604080281	/nfs/dbraw/zinc/08/02/81/604080281.db2.gz	MFNKKGGOFMNAIN-IJLUTSLNSA-N	-1	0	323.349	0.680	20	30		DCEDRM
CC(=NN[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN1C(=O)[O-]	ZINC000823531534	604085563	/nfs/dbraw/zinc/08/55/63/604085563.db2.gz	ANMWAHGNJKRMLQ-MNOVXSKESA-N	-1	0	303.384	0.672	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(C(N)=O)cs1	ZINC000831087585	604089400	/nfs/dbraw/zinc/08/94/00/604089400.db2.gz	NOEKOLHGYRSCJE-MRVPVSSYSA-N	-1	0	308.319	0.175	20	30		DCEDRM
Cc1cc(OCC(=O)[O-])ccc1NC(=O)Cn1cnc(C#N)n1	ZINC000832902327	604288632	/nfs/dbraw/zinc/28/86/32/604288632.db2.gz	PRPNYFHCCARJBC-UHFFFAOYSA-N	-1	0	315.289	0.560	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)n1	ZINC000833078560	604330897	/nfs/dbraw/zinc/33/08/97/604330897.db2.gz	LKZBYWGBDQPQGT-GFCCVEGCSA-N	-1	0	319.708	0.745	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C#N)CCO1	ZINC000825372755	604450756	/nfs/dbraw/zinc/45/07/56/604450756.db2.gz	QZTIJIIKNQMDSN-KCJUWKMLSA-N	-1	0	321.293	0.723	20	30		DCEDRM
C[C@H]1CS(=O)(=O)CCN1Cc1cccc(C(=O)[O-])c1C#N	ZINC000833631028	604610412	/nfs/dbraw/zinc/61/04/12/604610412.db2.gz	FCEOBXCAYXLXHI-JTQLQIEISA-N	-1	0	308.359	0.875	20	30		DCEDRM
N#CCCN(Cc1cccnc1)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000831097181	604779084	/nfs/dbraw/zinc/77/90/84/604779084.db2.gz	FHKMXCRHLLUXQI-CYBMUJFWSA-N	-1	0	318.333	0.703	20	30		DCEDRM
CN(C(=O)COC(=O)c1cncc(C(=O)[O-])c1)C(C)(C)C#N	ZINC000833686355	605016636	/nfs/dbraw/zinc/01/66/36/605016636.db2.gz	UUVPTOYRFMQPDR-UHFFFAOYSA-N	-1	0	305.290	0.697	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)NCC[C@H](C)NC(=O)[O-]	ZINC000829840338	605206693	/nfs/dbraw/zinc/20/66/93/605206693.db2.gz	YDSGUOLIRCHNMB-VIFPVBQESA-N	-1	0	318.333	0.968	20	30		DCEDRM
N#CCCCS(=O)(=O)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1	ZINC000833965267	605420926	/nfs/dbraw/zinc/42/09/26/605420926.db2.gz	GWEUERAHNFMCCW-TUAOUCFPSA-N	-1	0	315.395	0.988	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000833366419	605498917	/nfs/dbraw/zinc/49/89/17/605498917.db2.gz	WIRBAFNVMYSGCX-UHFFFAOYSA-N	-1	0	308.265	0.228	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NCC2(NC(=O)[O-])CCC2)cc1	ZINC000833976841	605601081	/nfs/dbraw/zinc/60/10/81/605601081.db2.gz	YVQVRNOZHXGAJP-UHFFFAOYSA-N	-1	0	316.317	0.803	20	30		DCEDRM
N#CCn1cc(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])cn1	ZINC000831109221	605631047	/nfs/dbraw/zinc/63/10/47/605631047.db2.gz	CYOPAYWCNLBLOB-SNVBAGLBSA-N	-1	0	309.351	0.831	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)Cn1cnc(C#N)n1	ZINC000825193475	605683257	/nfs/dbraw/zinc/68/32/57/605683257.db2.gz	IVDVDNUVXCIJBG-UWVGGRQHSA-N	-1	0	306.326	0.187	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833374997	605693519	/nfs/dbraw/zinc/69/35/19/605693519.db2.gz	DDBYOVSWLGFZSY-QWHCGFSZSA-N	-1	0	324.377	0.525	20	30		DCEDRM
Cc1onc(CC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])c1C#N	ZINC000833936591	605697628	/nfs/dbraw/zinc/69/76/28/605697628.db2.gz	NBXSDBIYTCMKQG-GXSJLCMTSA-N	-1	0	306.322	0.950	20	30		DCEDRM
Cc1onc(CC(=O)N2CCN(C(=O)[O-])CC2(C)C)c1C#N	ZINC000833936640	605697695	/nfs/dbraw/zinc/69/76/95/605697695.db2.gz	NWYSRARGEDFZHR-UHFFFAOYSA-N	-1	0	306.322	0.998	20	30		DCEDRM
C#CCCN1CCN(Cc2nc(C(C)(C)NC(=O)[O-])no2)CC1	ZINC000833787437	605714770	/nfs/dbraw/zinc/71/47/70/605714770.db2.gz	OYZXAOOLKHETAI-UHFFFAOYSA-N	-1	0	321.381	0.713	20	30		DCEDRM
N#Cc1ccc(C(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000833975368	605722494	/nfs/dbraw/zinc/72/24/94/605722494.db2.gz	WVTBTFFYVGYOTI-NWDGAFQWSA-N	-1	0	318.285	0.397	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)NCC2CN(C(=O)[O-])C2)c1	ZINC000833975868	605777940	/nfs/dbraw/zinc/77/79/40/605777940.db2.gz	HFTZPKAHFIDBOL-UHFFFAOYSA-N	-1	0	302.290	0.223	20	30		DCEDRM
COc1ccc(C#N)cc1COC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000829269291	605815510	/nfs/dbraw/zinc/81/55/10/605815510.db2.gz	STBSGRSGVIAVRZ-CYBMUJFWSA-N	-1	0	320.301	0.989	20	30		DCEDRM
Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c(O)c1O	ZINC000833903301	605839671	/nfs/dbraw/zinc/83/96/71/605839671.db2.gz	CXDSDPQDNCSWOU-SECBINFHSA-N	-1	0	305.290	0.734	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000833974318	605846108	/nfs/dbraw/zinc/84/61/08/605846108.db2.gz	JLIJVYVPLLOCMW-JTQLQIEISA-N	-1	0	313.310	0.728	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C[C@@H]1CSCCS1	ZINC000833967090	605880108	/nfs/dbraw/zinc/88/01/08/605880108.db2.gz	PPTYEMDVHGMVCR-VHSXEESVSA-N	-1	0	315.420	0.939	20	30		DCEDRM
CC(C)(C)CN(CCC#N)C(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC000819913720	607213791	/nfs/dbraw/zinc/21/37/91/607213791.db2.gz	CPMQPWAKMAHZNR-UHFFFAOYSA-N	-1	0	317.357	0.247	20	30		DCEDRM
N#CCc1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cc1	ZINC000826382600	608011790	/nfs/dbraw/zinc/01/17/90/608011790.db2.gz	MEVJHMTVKYLFJH-UHFFFAOYSA-N	-1	0	319.288	0.780	20	30		DCEDRM
CC(C)(C)OC(=O)CCCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000824099840	609486584	/nfs/dbraw/zinc/48/65/84/609486584.db2.gz	JRNKNGLBOXTXKV-UHFFFAOYSA-N	-1	0	318.341	0.639	20	30		DCEDRM
C=C[C@](C)(O)C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)[O-]	ZINC000909381877	660453380	/nfs/dbraw/zinc/45/33/80/660453380.db2.gz	ASHRXGJWCKQVSR-WBMJQRKESA-N	-1	0	307.346	0.992	20	30		DCEDRM
C#CCOCCC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1	ZINC000161767371	657574356	/nfs/dbraw/zinc/57/43/56/657574356.db2.gz	IKSPPDVNGDDZGO-UHFFFAOYSA-N	-1	0	305.359	0.983	20	30		DCEDRM
C[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)C1CN(CC#N)C1	ZINC000970507407	657585521	/nfs/dbraw/zinc/58/55/21/657585521.db2.gz	AGVQMOXUVQVNKV-JTQLQIEISA-N	-1	0	311.345	0.909	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H]3CN(CC#N)CC[C@H]32)c1[O-]	ZINC001021567587	658036356	/nfs/dbraw/zinc/03/63/56/658036356.db2.gz	VXQCBEWFCQHKSQ-NWDGAFQWSA-N	-1	0	303.366	0.874	20	30		DCEDRM
C#CC[C@H](COC)NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000859427195	658072614	/nfs/dbraw/zinc/07/26/14/658072614.db2.gz	WHIPSXODIUCROD-MRVPVSSYSA-N	-1	0	304.349	0.973	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC000939398234	665571211	/nfs/dbraw/zinc/57/12/11/665571211.db2.gz	VJZUHVWYRTVOEH-WPRPVWTQSA-N	-1	0	305.338	0.256	20	30		DCEDRM
CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C	ZINC000947601191	658401957	/nfs/dbraw/zinc/40/19/57/658401957.db2.gz	BVQBCTFYJHQVEQ-NEPJUHHUSA-N	-1	0	318.377	0.092	20	30		DCEDRM
C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001024532599	658693392	/nfs/dbraw/zinc/69/33/92/658693392.db2.gz	KJZQINXZQBDRGL-JTQLQIEISA-N	-1	0	307.354	0.443	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)c1[O-]	ZINC000976365627	659301127	/nfs/dbraw/zinc/30/11/27/659301127.db2.gz	SCLGHPPVEJSBTF-PJXYFTJBSA-N	-1	0	314.345	0.024	20	30		DCEDRM
CN(C(=O)c1ccc2oc(=O)nc-2[n-]1)C1CC(NCC#N)C1	ZINC000999683335	665671755	/nfs/dbraw/zinc/67/17/55/665671755.db2.gz	ZZPYNADQUHBSFC-UHFFFAOYSA-N	-1	0	301.306	0.645	20	30		DCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)CCOCCOC)CC1	ZINC000892862876	659489384	/nfs/dbraw/zinc/48/93/84/659489384.db2.gz	GDQSMEVELDWPKA-UHFFFAOYSA-N	-1	0	305.396	0.842	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1	ZINC000892913037	659508338	/nfs/dbraw/zinc/50/83/38/659508338.db2.gz	AFCWZRJCSAWZEA-UHFFFAOYSA-N	-1	0	301.393	0.383	20	30		DCEDRM
CCn1nccc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000122758428	659796789	/nfs/dbraw/zinc/79/67/89/659796789.db2.gz	IADRBPUDSUMGBT-UHFFFAOYSA-N	-1	0	304.331	0.893	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCC(O)(C(=O)[O-])CC2)cc1	ZINC000262524198	662454727	/nfs/dbraw/zinc/45/47/27/662454727.db2.gz	RISJHNKXBUIYJU-UHFFFAOYSA-N	-1	0	304.302	0.375	20	30		DCEDRM
CC#CCCNC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC000898823238	663109251	/nfs/dbraw/zinc/10/92/51/663109251.db2.gz	LWYFBALLCKXCNE-BWBHSNQOSA-N	-1	0	322.361	0.695	20	30		DCEDRM
CN(C)c1ccc(C(=O)[O-])cc1C=[NH+]NCCS(C)(=O)=O	ZINC000901195267	663329360	/nfs/dbraw/zinc/32/93/60/663329360.db2.gz	BPAKHGCAKFGEGL-UHFFFAOYSA-N	-1	0	313.379	0.419	20	30		DCEDRM
C=CCOCCCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC000902430003	663413792	/nfs/dbraw/zinc/41/37/92/663413792.db2.gz	BIGUGKPCQXQMQS-GFCCVEGCSA-N	-1	0	312.366	0.551	20	30		DCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)c2cc([O-])cc(F)c2)CCO1	ZINC000907496962	663699842	/nfs/dbraw/zinc/69/98/42/663699842.db2.gz	DVXRHVRZUDUVHT-GFCCVEGCSA-N	-1	0	300.311	0.834	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)NCCOC[C@@H]1CCCO1)C(=O)[O-]	ZINC000908906344	663774772	/nfs/dbraw/zinc/77/47/72/663774772.db2.gz	QONWPNLAOOAWSA-RYUDHWBXSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=C[C@H](O)C(=O)N(CC(=O)[O-])Cc1cc(OC)cc(OC)c1	ZINC000908908779	663775058	/nfs/dbraw/zinc/77/50/58/663775058.db2.gz	YWSZMUBALALJGT-ZDUSSCGKSA-N	-1	0	309.318	0.664	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)NCCc1ccn(C)n1)C(=O)[O-]	ZINC000909144181	663783099	/nfs/dbraw/zinc/78/30/99/663783099.db2.gz	BIMSBAUSRLWTQC-SNVBAGLBSA-N	-1	0	300.746	0.858	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCC(=O)c2cccn21)C(=O)[O-]	ZINC000909769633	663800256	/nfs/dbraw/zinc/80/02/56/663800256.db2.gz	AVFPVAVNIXRFJO-ZYHUDNBSSA-N	-1	0	306.318	0.778	20	30		DCEDRM
C#CC[C@@H](NC(=O)CN1C(=O)CCc2ccccc21)C(=O)[O-]	ZINC000910054864	663837827	/nfs/dbraw/zinc/83/78/27/663837827.db2.gz	TWZLZAOXJLLJML-GFCCVEGCSA-N	-1	0	300.314	0.559	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CSCN1C(=O)C1CCCC1)C(=O)[O-]	ZINC000910054758	663837832	/nfs/dbraw/zinc/83/78/32/663837832.db2.gz	SIUDTIOHCWDYGD-NWDGAFQWSA-N	-1	0	324.402	0.671	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1COc2ccc(OC)cc2C1)C(=O)[O-]	ZINC000910045997	663840390	/nfs/dbraw/zinc/84/03/90/663840390.db2.gz	JFLKEYVTGPTWGB-DGCLKSJQSA-N	-1	0	303.314	0.839	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C(=O)[O-]	ZINC000910050964	663841060	/nfs/dbraw/zinc/84/10/60/663841060.db2.gz	BUGKPLHQYUHBFY-NEPJUHHUSA-N	-1	0	308.378	0.864	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1ccccc1O[C@H]1CCOC1)C(=O)[O-]	ZINC000910049998	663841118	/nfs/dbraw/zinc/84/11/18/663841118.db2.gz	BOFHXWARTDZBEJ-KBPBESRZSA-N	-1	0	317.341	0.990	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000910098068	663844718	/nfs/dbraw/zinc/84/47/18/663844718.db2.gz	HMUGVXKWLCTBQP-ABAIWWIYSA-N	-1	0	322.365	0.979	20	30		DCEDRM
C=C[C@H](O)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C	ZINC000911316465	664032067	/nfs/dbraw/zinc/03/20/67/664032067.db2.gz	YKBNPNXTWHGWKI-RISCZKNCSA-N	-1	0	304.346	0.969	20	30		DCEDRM
C[Si](C)(C)C#CCCNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000912326988	664162886	/nfs/dbraw/zinc/16/28/86/664162886.db2.gz	OVQWKALVUIRXHD-UHFFFAOYSA-N	-1	0	310.430	0.857	20	30		DCEDRM
C=CCOc1ccc(C(=O)NN2CC(=O)NC2=O)cc1OC	ZINC000029023611	664200217	/nfs/dbraw/zinc/20/02/17/664200217.db2.gz	GCZKQRUEWFMNGD-UHFFFAOYSA-N	-1	0	305.290	0.457	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(Cl)c(N2CCNC2=O)c1	ZINC000173990440	664634528	/nfs/dbraw/zinc/63/45/28/664634528.db2.gz	OUIXNHKSUFUHSK-SECBINFHSA-N	-1	0	320.736	0.938	20	30		DCEDRM
C[C@@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000763027947	664824161	/nfs/dbraw/zinc/82/41/61/664824161.db2.gz	FVPFNRJMNDTUPV-MWLCHTKSSA-N	-1	0	300.380	0.987	20	30		DCEDRM
Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)ccc1-n1cnnn1	ZINC000916870472	665097968	/nfs/dbraw/zinc/09/79/68/665097968.db2.gz	BTXHZEIHCCRPKX-ZDUSSCGKSA-N	-1	0	324.344	0.916	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C=NOC)cc1	ZINC000916890757	665099482	/nfs/dbraw/zinc/09/94/82/665099482.db2.gz	MDELAQDGNFJOOU-CYBMUJFWSA-N	-1	0	303.318	0.752	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000917003049	665108399	/nfs/dbraw/zinc/10/83/99/665108399.db2.gz	YAVXZCXOMYUHLE-LLVKDONJSA-N	-1	0	309.347	0.005	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)nc1n(c2=O)CCC1	ZINC000917005267	665108435	/nfs/dbraw/zinc/10/84/35/665108435.db2.gz	QFQUXSMSKPJKQA-LLVKDONJSA-N	-1	0	310.313	0.411	20	30		DCEDRM
CN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@H]1CCN(CC#N)C1	ZINC001033579600	666761730	/nfs/dbraw/zinc/76/17/30/666761730.db2.gz	AEZWTZHLSCDUQP-VIFPVBQESA-N	-1	0	301.306	0.598	20	30		DCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000733718590	666807749	/nfs/dbraw/zinc/80/77/49/666807749.db2.gz	GJCFDUHJBQIHKQ-JTQLQIEISA-N	-1	0	312.347	0.683	20	30		DCEDRM
N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1	ZINC000733720756	666808146	/nfs/dbraw/zinc/80/81/46/666808146.db2.gz	GQZZLGWXVDDNBJ-GFCCVEGCSA-N	-1	0	310.331	0.172	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1	ZINC000119000051	667053109	/nfs/dbraw/zinc/05/31/09/667053109.db2.gz	NAANMAKURQKTHZ-UHFFFAOYSA-N	-1	0	324.402	0.906	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F	ZINC000119113709	667083706	/nfs/dbraw/zinc/08/37/06/667083706.db2.gz	XOBBHXSLHRLAFH-UHFFFAOYSA-N	-1	0	317.313	0.951	20	30		DCEDRM
C#CCOc1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1	ZINC000736089420	667100954	/nfs/dbraw/zinc/10/09/54/667100954.db2.gz	KUDQHUQQRDPYGO-UHFFFAOYSA-N	-1	0	300.274	0.696	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-]	ZINC000863421258	667142452	/nfs/dbraw/zinc/14/24/52/667142452.db2.gz	QCXDRBTUTNWDSI-QMMMGPOBSA-N	-1	0	319.770	0.703	20	30		DCEDRM
N#CCNC1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC000997176378	667205502	/nfs/dbraw/zinc/20/55/02/667205502.db2.gz	PXURBMPJUDJBSK-UHFFFAOYSA-N	-1	0	301.306	0.646	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)c1ccnc2c1nnn2C)C(=O)[O-]	ZINC000864188364	667223020	/nfs/dbraw/zinc/22/30/20/667223020.db2.gz	HLZZKGRDOISZHL-QMMMGPOBSA-N	-1	0	309.713	0.689	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)NCC[C@H](COC)OC)C(=O)[O-]	ZINC000864529621	667258478	/nfs/dbraw/zinc/25/84/78/667258478.db2.gz	YWKSZSLTGLFGPZ-ZJUUUORDSA-N	-1	0	308.762	0.933	20	30		DCEDRM
Cn1nc2c(c1/C=C/C(=O)c1cnc([O-])n(C)c1=O)CCCC2	ZINC000865221220	667314856	/nfs/dbraw/zinc/31/48/56/667314856.db2.gz	VWFAFCQOBZJFJB-BQYQJAHWSA-N	-1	0	314.345	0.994	20	30		DCEDRM
C=CCN(C(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1)C(C)C	ZINC000868332459	667557388	/nfs/dbraw/zinc/55/73/88/667557388.db2.gz	LLDAGUXJSBXDFE-HNNXBMFYSA-N	-1	0	312.366	0.359	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1	ZINC000868456599	667573839	/nfs/dbraw/zinc/57/38/39/667573839.db2.gz	ZJJYTMWEZMBRPW-RYUDHWBXSA-N	-1	0	307.350	0.639	20	30		DCEDRM
COCCn1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)cn1	ZINC000870158932	667716250	/nfs/dbraw/zinc/71/62/50/667716250.db2.gz	MOMGHLCMKUYZQQ-CYBMUJFWSA-N	-1	0	304.350	0.911	20	30		DCEDRM
CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CCCC#N	ZINC000838894424	667718761	/nfs/dbraw/zinc/71/87/61/667718761.db2.gz	IMQVKDKUABWZFP-SNVBAGLBSA-N	-1	0	304.368	0.858	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)n1ccc(C(F)(F)F)n1	ZINC000870329625	667731502	/nfs/dbraw/zinc/73/15/02/667731502.db2.gz	JJSQAEAMXYNIAH-MRVPVSSYSA-N	-1	0	323.296	0.932	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)C(=O)OC	ZINC000841540187	667732505	/nfs/dbraw/zinc/73/25/05/667732505.db2.gz	JRJOVBVHNWJHMA-GFCCVEGCSA-N	-1	0	317.313	0.949	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)CC)nn1	ZINC000870662296	667750528	/nfs/dbraw/zinc/75/05/28/667750528.db2.gz	LDTXZXHSLKEIAO-UHFFFAOYSA-N	-1	0	300.384	0.960	20	30		DCEDRM
CC(=O)N1CC(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)C1	ZINC000788161877	667775202	/nfs/dbraw/zinc/77/52/02/667775202.db2.gz	KMFWZQUYXPBRGW-NSHDSACASA-N	-1	0	321.358	0.649	20	30		DCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1C#N	ZINC000744239694	667823688	/nfs/dbraw/zinc/82/36/88/667823688.db2.gz	FGZJTWSWVBTTFO-SNVBAGLBSA-N	-1	0	311.363	0.638	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](C2)[C@H]3C(=O)[O-])cc1	ZINC000871771788	667847901	/nfs/dbraw/zinc/84/79/01/667847901.db2.gz	KJYIIHBPGFNNQB-AGIUHOORSA-N	-1	0	306.343	0.899	20	30		DCEDRM
C[C@@]1(C#N)CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CCO1	ZINC000887665740	667899499	/nfs/dbraw/zinc/89/94/99/667899499.db2.gz	VHDJCRLRGOBPQM-CQSZACIVSA-N	-1	0	323.374	0.813	20	30		DCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@](C)(C#N)C1	ZINC000887682593	667901067	/nfs/dbraw/zinc/90/10/67/667901067.db2.gz	JQJZEVKYVBAWHX-JOYOIKCWSA-N	-1	0	321.299	0.831	20	30		DCEDRM
C=CCN1C(=O)C(=O)N(CC(=O)[N-]OCc2ccccc2)C1=O	ZINC000748554871	667932651	/nfs/dbraw/zinc/93/26/51/667932651.db2.gz	HZJXOQOHJVQAHR-UHFFFAOYSA-N	-1	0	317.301	0.211	20	30		DCEDRM
COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000748878081	667941610	/nfs/dbraw/zinc/94/16/10/667941610.db2.gz	WGHWIFBZYYTFSK-UHFFFAOYSA-N	-1	0	311.363	0.420	20	30		DCEDRM
Cn1nnc2cc(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)ccc21	ZINC000753944639	668038595	/nfs/dbraw/zinc/03/85/95/668038595.db2.gz	CASDZRZIKCJMIX-UHFFFAOYSA-N	-1	0	319.346	0.332	20	30		DCEDRM
N#CCn1cc([N-]S(=O)(=O)c2cc(Cl)cnc2N)cn1	ZINC000754749216	668050199	/nfs/dbraw/zinc/05/01/99/668050199.db2.gz	RUODSEMLDZXMRD-UHFFFAOYSA-N	-1	0	312.742	0.838	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@]12CCC[C@]1(OC)OCC2	ZINC000873525969	668089043	/nfs/dbraw/zinc/08/90/43/668089043.db2.gz	CVCHKNJQHIUCRY-STQMWFEESA-N	-1	0	301.364	0.389	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H]2C(=O)OC)CC1	ZINC000873530915	668089064	/nfs/dbraw/zinc/08/90/64/668089064.db2.gz	DZCXWCFPNUBSMU-VHSXEESVSA-N	-1	0	301.364	0.740	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1	ZINC000759462348	668220977	/nfs/dbraw/zinc/22/09/77/668220977.db2.gz	LSABQBHVQPTPNY-UHFFFAOYSA-N	-1	0	323.374	0.463	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(NS(C)(=O)=O)c1	ZINC000762048924	668344964	/nfs/dbraw/zinc/34/49/64/668344964.db2.gz	XRDMTUWNCVTVHY-UHFFFAOYSA-N	-1	0	312.347	0.771	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccnc(O[C@@H]2CCOC2)c1	ZINC000762052171	668345090	/nfs/dbraw/zinc/34/50/90/668345090.db2.gz	ZYWZSUFIKZBXOJ-GFCCVEGCSA-N	-1	0	306.318	0.962	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cc1	ZINC000762129805	668348071	/nfs/dbraw/zinc/34/80/71/668348071.db2.gz	FEIPRRBEUPFVNS-LBPRGKRZSA-N	-1	0	323.370	0.795	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(OC)c(OC)c1OC	ZINC000763032559	668392823	/nfs/dbraw/zinc/39/28/23/668392823.db2.gz	DHTLKZVMLFMCSL-UHFFFAOYSA-N	-1	0	315.347	0.958	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2C(N)=O)cn1	ZINC000764532520	668452966	/nfs/dbraw/zinc/45/29/66/668452966.db2.gz	BHGKITYLLWZXFM-UHFFFAOYSA-N	-1	0	308.344	0.914	20	30		DCEDRM
COC(=O)C1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000766837419	668548077	/nfs/dbraw/zinc/54/80/77/668548077.db2.gz	JVILYSOJYWBQIX-UHFFFAOYSA-N	-1	0	308.315	0.316	20	30		DCEDRM
Cn1c([O-])c(C(=O)Nc2cccc(C#N)c2)c(=O)n(C)c1=O	ZINC000768125832	668599860	/nfs/dbraw/zinc/59/98/60/668599860.db2.gz	HVNQOHOHWLOWSU-UHFFFAOYSA-N	-1	0	300.274	0.163	20	30		DCEDRM
COC(=O)N(C)CCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770862368	668720831	/nfs/dbraw/zinc/72/08/31/668720831.db2.gz	MGUGVOZEFVUJQN-SNVBAGLBSA-N	-1	0	306.322	0.790	20	30		DCEDRM
CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771076237	668730196	/nfs/dbraw/zinc/73/01/96/668730196.db2.gz	GBUIEWHPFSIQDF-SECBINFHSA-N	-1	0	301.368	0.041	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CN1c2ccccc2O[C@H](C)C1=O	ZINC000772709438	668781834	/nfs/dbraw/zinc/78/18/34/668781834.db2.gz	DPCOPCNTWXTKNZ-SNVBAGLBSA-N	-1	0	324.358	0.433	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1nc(-c2ccncc2)no1	ZINC000772714558	668782024	/nfs/dbraw/zinc/78/20/24/668782024.db2.gz	UOLCTAQYJOHMFS-UHFFFAOYSA-N	-1	0	322.346	0.696	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1	ZINC000772717829	668782121	/nfs/dbraw/zinc/78/21/21/668782121.db2.gz	RXHIKDSVVKJMTP-CYBMUJFWSA-N	-1	0	322.386	0.923	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(=O)N(C)C2=O	ZINC000772718608	668782362	/nfs/dbraw/zinc/78/23/62/668782362.db2.gz	SFUIPVIXJNFIPY-UHFFFAOYSA-N	-1	0	308.315	0.158	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)(C)C	ZINC000772723595	668782681	/nfs/dbraw/zinc/78/26/81/668782681.db2.gz	OCTBCYSHVVHRKJ-SNVBAGLBSA-N	-1	0	302.396	0.656	20	30		DCEDRM
CC(C)CN1C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)CC1=O	ZINC000776122434	668871266	/nfs/dbraw/zinc/87/12/66/668871266.db2.gz	QRVLBANOFJCOMO-LLVKDONJSA-N	-1	0	315.395	0.241	20	30		DCEDRM
N#CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000776603918	668879170	/nfs/dbraw/zinc/87/91/70/668879170.db2.gz	QCNVFVZUIQWXSX-RYUDHWBXSA-N	-1	0	312.347	0.396	20	30		DCEDRM
N#CCCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000776603914	668879202	/nfs/dbraw/zinc/87/92/02/668879202.db2.gz	QCNVFVZUIQWXSX-NEPJUHHUSA-N	-1	0	312.347	0.396	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCC(OCC(=O)[O-])CC2)CC1	ZINC000776696332	668880198	/nfs/dbraw/zinc/88/01/98/668880198.db2.gz	RAEKOZALJNIORC-UHFFFAOYSA-N	-1	0	302.352	0.186	20	30		DCEDRM
COc1ccc(C=NN2CCCNC2=O)c(OCC(=O)[O-])c1	ZINC000777896505	668892793	/nfs/dbraw/zinc/89/27/93/668892793.db2.gz	CDNLVYSXCXAPFL-UHFFFAOYSA-N	-1	0	307.306	0.908	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CCCO[C@H]32)CCCC1	ZINC000780479650	668988986	/nfs/dbraw/zinc/98/89/86/668988986.db2.gz	KDUYBMRMYNZNDK-IJLUTSLNSA-N	-1	0	312.391	0.941	20	30		DCEDRM
CCC[C@@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)c1nnn[n-]1	ZINC000780958611	669023038	/nfs/dbraw/zinc/02/30/38/669023038.db2.gz	FNZAFCGELPYEMC-NEPJUHHUSA-N	-1	0	300.322	0.762	20	30		DCEDRM
CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000781591907	669051799	/nfs/dbraw/zinc/05/17/99/669051799.db2.gz	HVAISNBGUXKGKJ-KCJUWKMLSA-N	-1	0	312.322	0.927	20	30		DCEDRM
CCO[C@@H]1C[C@H]1C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783046815	669141287	/nfs/dbraw/zinc/14/12/87/669141287.db2.gz	NIRGEXCOOXNOHB-GHMZBOCLSA-N	-1	0	302.290	0.775	20	30		DCEDRM
CCO[C@H]1C[C@@H]1C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783046819	669141554	/nfs/dbraw/zinc/14/15/54/669141554.db2.gz	NIRGEXCOOXNOHB-QWRGUYRKSA-N	-1	0	302.290	0.775	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc2c(cnn2C)c1OC	ZINC000784900660	669227056	/nfs/dbraw/zinc/22/70/56/669227056.db2.gz	XIUWDFOSLGHRKO-UHFFFAOYSA-N	-1	0	310.335	0.223	20	30		DCEDRM
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000880830394	669272380	/nfs/dbraw/zinc/27/23/80/669272380.db2.gz	LQKYZQHTSSYWEH-ZJNJWXDTSA-N	-1	0	314.345	0.496	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(N(C)C(C)=O)cc1	ZINC000786305049	669303683	/nfs/dbraw/zinc/30/36/83/669303683.db2.gz	YTFIKRPCQDWNIQ-CQSZACIVSA-N	-1	0	317.345	0.754	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccnn1CC(F)F	ZINC000789403089	669491352	/nfs/dbraw/zinc/49/13/52/669491352.db2.gz	PZRWLLHFGUIZDB-VIFPVBQESA-N	-1	0	314.292	0.623	20	30		DCEDRM
C#C[C@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[C@H]1CCCO1	ZINC000790036037	669532178	/nfs/dbraw/zinc/53/21/78/669532178.db2.gz	NYCAKTGJEWGZPB-AXFHLTTASA-N	-1	0	320.311	0.987	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COCc2ccccn2)CCC1	ZINC000805919330	669543096	/nfs/dbraw/zinc/54/30/96/669543096.db2.gz	IXFZFBYYLRIYIB-UHFFFAOYSA-N	-1	0	323.374	0.738	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]1CCCCO1	ZINC000791110294	669594355	/nfs/dbraw/zinc/59/43/55/669594355.db2.gz	BHHKYQKMOLFNQQ-NEPJUHHUSA-N	-1	0	303.380	0.430	20	30		DCEDRM
C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000791140624	669595527	/nfs/dbraw/zinc/59/55/27/669595527.db2.gz	SGTYEDOSWDBMAR-MRXNPFEDSA-N	-1	0	313.313	0.815	20	30		DCEDRM
CC[C@@H](NN=C1c2ccc(N(C)C)cc2N(C)C1=O)C(=O)[O-]	ZINC000793055218	669700126	/nfs/dbraw/zinc/70/01/26/669700126.db2.gz	JVGNUNHEUVMPCR-LLVKDONJSA-N	-1	0	304.350	0.886	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CSc2ccncc2)CC1	ZINC000793193770	669706742	/nfs/dbraw/zinc/70/67/42/669706742.db2.gz	CTEZBJJAVYSPIB-UHFFFAOYSA-N	-1	0	311.388	0.923	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2ccccc2)cc1C(N)=O	ZINC000042345719	669827918	/nfs/dbraw/zinc/82/79/18/669827918.db2.gz	PTPCSPZINIUNFL-UHFFFAOYSA-N	-1	0	307.331	0.818	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)c1cccc2n[nH]nc21	ZINC000800207628	669838834	/nfs/dbraw/zinc/83/88/34/669838834.db2.gz	DDUGURHRDZEVPS-UHFFFAOYSA-N	-1	0	303.278	0.127	20	30		DCEDRM
Cc1nnc(N=NC(CS(=O)(=O)N(C)C)C(C)C)[n-]c1=O	ZINC000794871748	669866301	/nfs/dbraw/zinc/86/63/01/669866301.db2.gz	OASISFXHUDIUAB-UHFFFAOYSA-N	-1	0	316.387	0.201	20	30		DCEDRM
CC(C)(C#N)c1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1	ZINC000796825771	669943846	/nfs/dbraw/zinc/94/38/46/669943846.db2.gz	AKPAVDABNQNZIR-UHFFFAOYSA-N	-1	0	309.347	0.033	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000159938198	669944288	/nfs/dbraw/zinc/94/42/88/669944288.db2.gz	KNLITPNKBDBELA-UHFFFAOYSA-N	-1	0	310.306	0.542	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796872237	669945039	/nfs/dbraw/zinc/94/50/39/669945039.db2.gz	MWTCFOGYZROIQF-VIFPVBQESA-N	-1	0	320.330	0.554	20	30		DCEDRM
COC(=O)c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)[nH]1	ZINC000796981129	669951760	/nfs/dbraw/zinc/95/17/60/669951760.db2.gz	KTDJGIUQOVHALS-MRVPVSSYSA-N	-1	0	300.274	0.740	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2cncnc2)CCCC1	ZINC000797049824	669954662	/nfs/dbraw/zinc/95/46/62/669954662.db2.gz	PAJCBYMELWYPRM-UHFFFAOYSA-N	-1	0	322.390	0.939	20	30		DCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000797282469	669961973	/nfs/dbraw/zinc/96/19/73/669961973.db2.gz	GVKZFNJJJJEPCW-JTQLQIEISA-N	-1	0	324.358	0.498	20	30		DCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000797291753	669963883	/nfs/dbraw/zinc/96/38/83/669963883.db2.gz	PPQZWEAADCMPLB-SECBINFHSA-N	-1	0	310.331	0.108	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)cc1	ZINC000798203362	669992025	/nfs/dbraw/zinc/99/20/25/669992025.db2.gz	ZFAHMZILRPAORN-UHFFFAOYSA-N	-1	0	322.386	0.606	20	30		DCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCC(=O)NC1	ZINC000798855142	670027791	/nfs/dbraw/zinc/02/77/91/670027791.db2.gz	BWZFIGXBMCYDJV-GFCCVEGCSA-N	-1	0	313.379	0.043	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000799078023	670037281	/nfs/dbraw/zinc/03/72/81/670037281.db2.gz	WYONTTWZWIOBMU-ZJUUUORDSA-N	-1	0	308.300	0.580	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1cccc(COC)c1	ZINC000799652754	670067932	/nfs/dbraw/zinc/06/79/32/670067932.db2.gz	RLOXMFROIWJZEC-UHFFFAOYSA-N	-1	0	313.375	0.982	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC	ZINC000802154694	670153300	/nfs/dbraw/zinc/15/33/00/670153300.db2.gz	IVRFNTZXRFFTBA-MXWKQRLJSA-N	-1	0	321.395	0.611	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C)c([N+](=O)[O-])c1	ZINC000193414048	670280239	/nfs/dbraw/zinc/28/02/39/670280239.db2.gz	HNNZXSFCAQDMDC-LLVKDONJSA-N	-1	0	305.290	0.988	20	30		DCEDRM
COc1ccc(CNC(=O)C(C#N)=C([O-])c2cn(C)nn2)cc1	ZINC000808978618	670432888	/nfs/dbraw/zinc/43/28/88/670432888.db2.gz	MSXQMMLXFIYCHK-LBPRGKRZSA-N	-1	0	313.317	0.463	20	30		DCEDRM
Cn1cnc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)n1	ZINC000810674543	670493230	/nfs/dbraw/zinc/49/32/30/670493230.db2.gz	GOARWKNUQLZUPJ-UHFFFAOYSA-N	-1	0	311.367	0.349	20	30		DCEDRM
CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000195497135	670495613	/nfs/dbraw/zinc/49/56/13/670495613.db2.gz	PNFDSBHNSWOGOV-QWHCGFSZSA-N	-1	0	308.359	0.929	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cn1nc(C)c(Cl)c1C	ZINC000810774720	670496977	/nfs/dbraw/zinc/49/69/77/670496977.db2.gz	NJHFYGRLQDHNDB-UHFFFAOYSA-N	-1	0	303.771	0.623	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000810781566	670497822	/nfs/dbraw/zinc/49/78/22/670497822.db2.gz	TVXWMRMXOJILEO-GFCCVEGCSA-N	-1	0	320.370	0.509	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H](NC(C)=O)c1ccccc1	ZINC000810781463	670497826	/nfs/dbraw/zinc/49/78/26/670497826.db2.gz	CEHXMDMFRLZYBW-AWEZNQCLSA-N	-1	0	322.386	0.723	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1=Cc2cccc(OC)c2OC1	ZINC000810783651	670497931	/nfs/dbraw/zinc/49/79/31/670497931.db2.gz	YJOCJEFTYZCFHQ-UHFFFAOYSA-N	-1	0	321.354	0.940	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(-c2ccccc2)nn1	ZINC000810785470	670498007	/nfs/dbraw/zinc/49/80/07/670498007.db2.gz	IHYYVUMYMPZURE-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CSC[C@H]1CCCCO1	ZINC000810786791	670498269	/nfs/dbraw/zinc/49/82/69/670498269.db2.gz	WXCNNYIQERFDRA-LLVKDONJSA-N	-1	0	305.421	0.758	20	30		DCEDRM
COCC1(S(=O)(=O)[N-]C(=O)Cc2ccccc2CC#N)CC1	ZINC000811151727	670510884	/nfs/dbraw/zinc/51/08/84/670510884.db2.gz	ZSDZKJSMMIUGNS-UHFFFAOYSA-N	-1	0	322.386	0.920	20	30		DCEDRM
COCC1(S(=O)(=O)[N-]C(=O)c2cccc(F)c2C#N)CC1	ZINC000811152915	670511140	/nfs/dbraw/zinc/51/11/40/670511140.db2.gz	ROPCPWZNVCXFMR-UHFFFAOYSA-N	-1	0	312.322	0.936	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-]	ZINC000854545793	670585710	/nfs/dbraw/zinc/58/57/10/670585710.db2.gz	QEILTGQLHLDSFK-LLVKDONJSA-N	-1	0	315.329	0.701	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2	ZINC000812785618	670595924	/nfs/dbraw/zinc/59/59/24/670595924.db2.gz	YSUVKRPLDCWYRE-LBPRGKRZSA-N	-1	0	316.313	0.701	20	30		DCEDRM
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1ccccc1	ZINC000112495006	670607735	/nfs/dbraw/zinc/60/77/35/670607735.db2.gz	VSZWPOIZZRIHPI-GFCCVEGCSA-N	-1	0	306.343	0.266	20	30		DCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2cc(C#N)cn2C)cnn1C	ZINC000813954811	670665875	/nfs/dbraw/zinc/66/58/75/670665875.db2.gz	QFGATRQFABITRW-UHFFFAOYSA-N	-1	0	307.335	0.057	20	30		DCEDRM
CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813982033	670667629	/nfs/dbraw/zinc/66/76/29/670667629.db2.gz	ANWYDNXCLULNIL-SNVBAGLBSA-N	-1	0	311.363	0.963	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC000855048685	670673998	/nfs/dbraw/zinc/67/39/98/670673998.db2.gz	XXQGKHNPBPRCHE-JTQLQIEISA-N	-1	0	308.359	0.525	20	30		DCEDRM
C#CCCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000848612283	670705356	/nfs/dbraw/zinc/70/53/56/670705356.db2.gz	YTWTZZNSLBJGAE-SDDRHHMPSA-N	-1	0	308.378	0.768	20	30		DCEDRM
NC(=O)CNC(=S)NN=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814845335	670705940	/nfs/dbraw/zinc/70/59/40/670705940.db2.gz	WFZKIZMSJSKXMA-UHFFFAOYSA-N	-1	0	320.374	0.108	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1	ZINC000855606706	670734590	/nfs/dbraw/zinc/73/45/90/670734590.db2.gz	OETMVKZJXGPSGZ-MRXNPFEDSA-N	-1	0	318.329	0.753	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O	ZINC000855603945	670735137	/nfs/dbraw/zinc/73/51/37/670735137.db2.gz	VXUSICOYVGLOFL-CYBMUJFWSA-N	-1	0	300.314	0.988	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)c(C)o1	ZINC000849219119	670765884	/nfs/dbraw/zinc/76/58/84/670765884.db2.gz	IIIVURUDBCNLHC-UHFFFAOYSA-N	-1	0	315.303	0.083	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H](C)CC(F)(F)F	ZINC000849218774	670765896	/nfs/dbraw/zinc/76/58/96/670765896.db2.gz	ILPOKVJFNOUQMW-QMMMGPOBSA-N	-1	0	301.286	0.925	20	30		DCEDRM
CCn1nncc1C([O-])=C(C#N)C(=O)NCCCOC(C)C	ZINC000815904650	670771619	/nfs/dbraw/zinc/77/16/19/670771619.db2.gz	MFGVSUNQGJJLII-NSHDSACASA-N	-1	0	307.354	0.552	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C#N)cc(N(C)C)c1	ZINC000815906899	670771624	/nfs/dbraw/zinc/77/16/24/670771624.db2.gz	MCXTXNAYBTWIQZ-AWEZNQCLSA-N	-1	0	314.345	0.709	20	30		DCEDRM
COC(=O)c1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c[nH]1	ZINC000816014570	670779623	/nfs/dbraw/zinc/77/96/23/670779623.db2.gz	FUTBSWYWTNWQOU-UHFFFAOYSA-N	-1	0	311.319	0.165	20	30		DCEDRM
CCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)o1	ZINC000816094948	670786161	/nfs/dbraw/zinc/78/61/61/670786161.db2.gz	KGEQATXPMFMQAN-UHFFFAOYSA-N	-1	0	320.330	0.931	20	30		DCEDRM
C#C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1CCOCC1	ZINC000856102380	670786843	/nfs/dbraw/zinc/78/68/43/670786843.db2.gz	CQIYKRQOXVBUFV-SNVBAGLBSA-N	-1	0	320.311	0.988	20	30		DCEDRM
N#Cc1ccc(CSCC(=O)Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000816730790	670849955	/nfs/dbraw/zinc/84/99/55/670849955.db2.gz	PGEOPHMANYZQAE-UHFFFAOYSA-N	-1	0	305.319	0.564	20	30		DCEDRM
C#CC[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC000817111025	670895260	/nfs/dbraw/zinc/89/52/60/670895260.db2.gz	RFZVVYKDZAXNLP-KGLIPLIRSA-N	-1	0	314.341	0.800	20	30		DCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000850828892	670945892	/nfs/dbraw/zinc/94/58/92/670945892.db2.gz	XQINEFGWEDFHAW-UHFFFAOYSA-N	-1	0	303.384	0.398	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c1	ZINC000817889062	670950934	/nfs/dbraw/zinc/95/09/34/670950934.db2.gz	RONFVWLTAVIWOX-NSHDSACASA-N	-1	0	318.329	0.816	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000850936521	670955555	/nfs/dbraw/zinc/95/55/55/670955555.db2.gz	YGLKWUAYQHNUNP-VXGBXAGGSA-N	-1	0	318.395	0.082	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C(F)(F)F)cnn1C	ZINC000851000324	670960226	/nfs/dbraw/zinc/96/02/26/670960226.db2.gz	RYQGTJHNCOHYNH-UHFFFAOYSA-N	-1	0	309.269	0.522	20	30		DCEDRM
Cn1nnc2cc(S(=O)(=O)[N-]C(=O)CC3(C#N)CC3)ccc21	ZINC000851175172	670972783	/nfs/dbraw/zinc/97/27/83/670972783.db2.gz	OTRXAUAIGOEFLL-UHFFFAOYSA-N	-1	0	319.346	0.467	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851358073	670979700	/nfs/dbraw/zinc/97/97/00/670979700.db2.gz	WKPMVIJQFBZDNY-UHFFFAOYSA-N	-1	0	304.274	0.648	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)Cc1cc(OC)ns1	ZINC000851434161	670987951	/nfs/dbraw/zinc/98/79/51/670987951.db2.gz	IFANNBPIULZJBY-UHFFFAOYSA-N	-1	0	320.392	0.690	20	30		DCEDRM
CC[C@@H](C)CONC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000858481713	671008393	/nfs/dbraw/zinc/00/83/93/671008393.db2.gz	NNMJVPACTVHQPQ-SECBINFHSA-N	-1	0	321.337	0.365	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000851683776	671012425	/nfs/dbraw/zinc/01/24/25/671012425.db2.gz	OLJRGRAGHCZEDI-STQMWFEESA-N	-1	0	324.377	0.100	20	30		DCEDRM
C#C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)C	ZINC000859158151	671077959	/nfs/dbraw/zinc/07/79/59/671077959.db2.gz	ACPUJDSKFMXKHU-SECBINFHSA-N	-1	0	300.340	0.655	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819954863	671149458	/nfs/dbraw/zinc/14/94/58/671149458.db2.gz	CDHTVYLLYJIVJB-SWLSCSKDSA-N	-1	0	306.366	0.683	20	30		DCEDRM
CCN(CC(C)=O)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21	ZINC000820424792	671200977	/nfs/dbraw/zinc/20/09/77/671200977.db2.gz	URJHCHPOCVCNRF-UHFFFAOYSA-N	-1	0	323.374	0.163	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CCOCC1	ZINC000820563234	671210683	/nfs/dbraw/zinc/21/06/83/671210683.db2.gz	CDUXKYGKOIAGFQ-LBPRGKRZSA-N	-1	0	317.407	0.984	20	30		DCEDRM
CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000860514216	671215063	/nfs/dbraw/zinc/21/50/63/671215063.db2.gz	AKGIIOSGLLDEAC-ZDUSSCGKSA-N	-1	0	323.374	0.275	20	30		DCEDRM
O=C([O-])c1ccc(C=NN[C@@H]2CCS(=O)(=O)C2)cc1F	ZINC000853251669	671224126	/nfs/dbraw/zinc/22/41/26/671224126.db2.gz	AXBFZGKCYOUZQV-SECBINFHSA-N	-1	0	300.311	0.635	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cn1	ZINC000860649936	671227460	/nfs/dbraw/zinc/22/74/60/671227460.db2.gz	RPBVXITYQCASSX-UHFFFAOYSA-N	-1	0	304.331	0.246	20	30		DCEDRM
Cc1noc(C)c1/C=C\C(=O)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000821012323	671245183	/nfs/dbraw/zinc/24/51/83/671245183.db2.gz	HNLICCDTRXLHMT-WAYWQWQTSA-N	-1	0	305.290	0.291	20	30		DCEDRM
Cc1ccccc1/C=C\C(=O)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000821013252	671246012	/nfs/dbraw/zinc/24/60/12/671246012.db2.gz	XGQSNQWPIPSGBH-HJWRWDBZSA-N	-1	0	300.314	0.994	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cc2ccccc2[nH]c1=O	ZINC000821583750	671284451	/nfs/dbraw/zinc/28/44/51/671284451.db2.gz	GOHNDZMFAOKANM-UHFFFAOYSA-N	-1	0	305.315	0.914	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824058103	671417763	/nfs/dbraw/zinc/41/77/63/671417763.db2.gz	WELDGXKZTIPCEF-FZMZJTMJSA-N	-1	0	307.354	0.229	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F	ZINC000824232951	671424151	/nfs/dbraw/zinc/42/41/51/671424151.db2.gz	NXDNXOUDDCZDLC-BIIVOSGPSA-N	-1	0	301.286	0.832	20	30		DCEDRM
COCC#CCN1CCN(c2ncccc2-c2nn[nH]n2)CC1	ZINC000826147200	671481370	/nfs/dbraw/zinc/48/13/70/671481370.db2.gz	PUDNKSGOISYZGB-UHFFFAOYSA-N	-1	0	313.365	0.034	20	30		DCEDRM
N#Cc1ccccc1OCCn1cccc(-c2nnn[n-]2)c1=O	ZINC000826387063	671487079	/nfs/dbraw/zinc/48/70/79/671487079.db2.gz	DYWXTPNNYLSXJS-UHFFFAOYSA-N	-1	0	308.301	0.979	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1csc(C2CC2)n1	ZINC000826383220	671487267	/nfs/dbraw/zinc/48/72/67/671487267.db2.gz	PVJGZQFPIQZTNJ-UHFFFAOYSA-N	-1	0	313.350	0.899	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC000829582490	671580676	/nfs/dbraw/zinc/58/06/76/671580676.db2.gz	NCMJJIZBYRPXQZ-AWEZNQCLSA-N	-1	0	318.421	0.589	20	30		DCEDRM
C#C[C@H](NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CCCO1	ZINC000832411273	671718562	/nfs/dbraw/zinc/71/85/62/671718562.db2.gz	CLYRIDIPSXTNEM-STQMWFEESA-N	-1	0	313.313	0.941	20	30		DCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc(C#N)[nH]c1C	ZINC000835031939	671786548	/nfs/dbraw/zinc/78/65/48/671786548.db2.gz	ZAYDTWOFVQSYSX-UHFFFAOYSA-N	-1	0	308.319	0.918	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)N2CCOCC2)CCCC1	ZINC000835184755	671790303	/nfs/dbraw/zinc/79/03/03/671790303.db2.gz	KTGCTAKGAOZTPM-UHFFFAOYSA-N	-1	0	302.396	0.816	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1	ZINC000835248377	671791528	/nfs/dbraw/zinc/79/15/28/671791528.db2.gz	HHMCPNVZUYAJPX-QMMMGPOBSA-N	-1	0	302.739	0.578	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000835410910	671795468	/nfs/dbraw/zinc/79/54/68/671795468.db2.gz	BDGSIWPIQKSVBF-LLVKDONJSA-N	-1	0	321.358	0.399	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ncc[n-]2)n1	ZINC000867205003	671842665	/nfs/dbraw/zinc/84/26/65/671842665.db2.gz	YCBXGJXEDJFYQX-UHFFFAOYSA-N	-1	0	323.378	0.077	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn(C2CCC2)nn1	ZINC000842681216	672027906	/nfs/dbraw/zinc/02/79/06/672027906.db2.gz	INLDNVSGFAMXKA-NSHDSACASA-N	-1	0	305.338	0.478	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn2c1C[C@H](C)CC2	ZINC000842684598	672028764	/nfs/dbraw/zinc/02/87/64/672028764.db2.gz	LUHCXOAAZJNDTK-GHMZBOCLSA-N	-1	0	304.350	0.550	20	30		DCEDRM
CC[C@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)C(=O)[O-]	ZINC000843047191	672056068	/nfs/dbraw/zinc/05/60/68/672056068.db2.gz	JHEJDZYKPZJQEP-NSHDSACASA-N	-1	0	305.290	0.507	20	30		DCEDRM
COCC[C@@H](C)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844813877	672204639	/nfs/dbraw/zinc/20/46/39/672204639.db2.gz	CAQHKRYJWZBFQG-LLVKDONJSA-N	-1	0	303.380	0.541	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)CC2CCOCC2)CC1	ZINC000844813825	672204705	/nfs/dbraw/zinc/20/47/05/672204705.db2.gz	BHHSOXVXXPSVQS-UHFFFAOYSA-N	-1	0	315.391	0.543	20	30		DCEDRM
CCn1cnc(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)c1	ZINC000844819027	672204715	/nfs/dbraw/zinc/20/47/15/672204715.db2.gz	UZIOBGHNMIHHHG-UHFFFAOYSA-N	-1	0	311.363	0.392	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1	ZINC000846155289	672297923	/nfs/dbraw/zinc/29/79/23/672297923.db2.gz	FRNVNZWSEHVKJJ-TVQRCGJNSA-N	-1	0	319.317	0.472	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1	ZINC000846155714	672297929	/nfs/dbraw/zinc/29/79/29/672297929.db2.gz	XTTJKQSEAHYVGG-PWSUYJOCSA-N	-1	0	317.345	0.851	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C	ZINC000846156273	672298175	/nfs/dbraw/zinc/29/81/75/672298175.db2.gz	TXNMAKCOQPYLLB-VIFPVBQESA-N	-1	0	318.333	0.438	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1	ZINC000846156350	672298282	/nfs/dbraw/zinc/29/82/82/672298282.db2.gz	LDHKGQFGGOTRDL-SNVBAGLBSA-N	-1	0	303.318	0.984	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CCSC)NS(=O)(=O)CC	ZINC000846546490	672326818	/nfs/dbraw/zinc/32/68/18/672326818.db2.gz	VXRLQLYEPXVNKB-ZJUUUORDSA-N	-1	0	310.441	0.670	20	30		DCEDRM
CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195090	685343684	/nfs/dbraw/zinc/34/36/84/685343684.db2.gz	GIUMVBKZTQVGKG-UHFFFAOYSA-N	-1	0	302.352	0.325	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000813985704	685351464	/nfs/dbraw/zinc/35/14/64/685351464.db2.gz	LSNYSJRCCBTLMH-UHFFFAOYSA-N	-1	0	310.360	0.780	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)C(=O)OC	ZINC000841540338	685365033	/nfs/dbraw/zinc/36/50/33/685365033.db2.gz	OMPFHWICNVJGML-UWVGGRQHSA-N	-1	0	309.334	0.906	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001038267706	694031322	/nfs/dbraw/zinc/03/13/22/694031322.db2.gz	YZOQIPNMCBZEPA-UTUOFQBUSA-N	-1	0	321.381	0.182	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@]2(C)CCN(C(=O)C#CC3CC3)C2)c1[O-]	ZINC000956829364	686873314	/nfs/dbraw/zinc/87/33/14/686873314.db2.gz	YXBRMUQCXYUNLM-MRXNPFEDSA-N	-1	0	316.361	0.558	20	30		DCEDRM
CC#CCN1CC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001038924258	694242035	/nfs/dbraw/zinc/24/20/35/694242035.db2.gz	YTLQKTHZLUJLLG-SNVBAGLBSA-N	-1	0	300.318	0.756	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001111491350	1157721341	/nfs/dbraw/zinc/72/13/41/1157721341.db2.gz	XUTSQRXKINLAAF-QCNOEVLYSA-N	-1	0	321.381	0.323	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001572049628	1163006171	/nfs/dbraw/zinc/00/61/71/1163006171.db2.gz	KDAKYOWCQAHXSE-HAQNSBGRSA-N	-1	0	318.377	0.852	20	30		DCEDRM
C#CCCN1CCC[C@@H]([N-]S(=O)(=O)CC(F)(F)F)C1=O	ZINC001253235318	1159141148	/nfs/dbraw/zinc/14/11/48/1159141148.db2.gz	QNUQVCDBFUOPPQ-SECBINFHSA-N	-1	0	312.313	0.482	20	30		DCEDRM
C[C@@H](CO[N-]C(=O)Cn1cnc(C#N)n1)NC(=O)OC(C)(C)C	ZINC001566455960	1159987509	/nfs/dbraw/zinc/98/75/09/1159987509.db2.gz	WREMGCMJDGBEGX-VIFPVBQESA-N	-1	0	324.341	0.111	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001569905310	1161310317	/nfs/dbraw/zinc/31/03/17/1161310317.db2.gz	AZZZMNCKLVFPOP-OLZOCXBDSA-N	-1	0	317.393	0.879	20	30		DCEDRM
C#CCN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1nccs1	ZINC001573302049	1163411653	/nfs/dbraw/zinc/41/16/53/1163411653.db2.gz	OVOPJJSNQKEDLE-SNVBAGLBSA-N	-1	0	321.358	0.433	20	30		DCEDRM
CC#CCCCC(=O)NC1(CNC(=O)CNC(=O)[O-])CCC1	ZINC001573384317	1163419982	/nfs/dbraw/zinc/41/99/82/1163419982.db2.gz	IUAOZZNEBLCXNB-UHFFFAOYSA-N	-1	0	309.366	0.603	20	30		DCEDRM
CC(C)(C)[N@H+](CC(=O)[O-])Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001573459218	1163439366	/nfs/dbraw/zinc/43/93/66/1163439366.db2.gz	DHDUZXDCKALUMA-UHFFFAOYSA-N	-1	0	303.322	0.992	20	30		DCEDRM
C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)c1cc(C#N)ccn1	ZINC001573654346	1163523045	/nfs/dbraw/zinc/52/30/45/1163523045.db2.gz	HQCDFQJQXNIDRA-SECBINFHSA-N	-1	0	311.301	0.892	20	30		DCEDRM
CC[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@]1(F)C(=O)[O-]	ZINC001573826142	1163561095	/nfs/dbraw/zinc/56/10/95/1163561095.db2.gz	MYDRVPIKHBYZAI-JFGNBEQYSA-N	-1	0	321.374	0.600	20	30		DCEDRM
CCn1cc(C#N)c(NC(=O)N[C@@]2(C)CCNC2=O)c1C(=O)[O-]	ZINC001573844436	1163565432	/nfs/dbraw/zinc/56/54/32/1163565432.db2.gz	ICGRKSZBLZLKGC-AWEZNQCLSA-N	-1	0	319.321	0.478	20	30		DCEDRM
Cc1cc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)nn1CCC#N	ZINC001574141107	1163647250	/nfs/dbraw/zinc/64/72/50/1163647250.db2.gz	HZHBXUYCTNCQDS-LBPRGKRZSA-N	-1	0	319.365	0.840	20	30		DCEDRM
N#CCOc1cccc(CC(=O)NCc2[nH]cnc2C(=O)[O-])c1	ZINC001574241625	1163672657	/nfs/dbraw/zinc/67/26/57/1163672657.db2.gz	OWAQRLDUEHXKTM-UHFFFAOYSA-N	-1	0	314.301	0.869	20	30		DCEDRM
CC[C@@H](CC#N)NCc1cc(=O)n2[n-]cc(-c3nn[nH]n3)c2n1	ZINC001576691007	1164433398	/nfs/dbraw/zinc/43/33/98/1164433398.db2.gz	PLRDGZSYJNCGLP-QMMMGPOBSA-N	-1	0	313.325	0.397	20	30		DCEDRM
CCCC[C@@H](O)CCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001577491646	1164703417	/nfs/dbraw/zinc/70/34/17/1164703417.db2.gz	UBXIEUXRICHCGU-MRVPVSSYSA-N	-1	0	318.341	0.731	20	30		DCEDRM
CN(C)c1cccnc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001579000547	1165185441	/nfs/dbraw/zinc/18/54/41/1165185441.db2.gz	ZDBDVIAVDIPDPS-UHFFFAOYSA-N	-1	0	324.308	0.175	20	30		DCEDRM
COC(=O)[C@H](CC1CC1)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579433316	1165307243	/nfs/dbraw/zinc/30/72/43/1165307243.db2.gz	CUFPQUJJGGJOTG-QMMMGPOBSA-N	-1	0	314.309	0.282	20	30		DCEDRM
CO[C@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)[C@H](C)C1	ZINC001579619389	1165362026	/nfs/dbraw/zinc/36/20/26/1165362026.db2.gz	RBILQYBNVSPZHZ-BDAKNGLRSA-N	-1	0	300.326	0.532	20	30		DCEDRM
CSc1[nH]c(=O)c(C(=O)N(C)[C@@H](C)C#N)cc1-c1nnn[n-]1	ZINC001580230536	1165542875	/nfs/dbraw/zinc/54/28/75/1165542875.db2.gz	BPNOXBVHIGAGFB-LURJTMIESA-N	-1	0	319.350	0.673	20	30		DCEDRM
N#CCN1CCC(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001581858142	1165889966	/nfs/dbraw/zinc/88/99/66/1165889966.db2.gz	SDBUINZBQAQHHS-UHFFFAOYSA-N	-1	0	324.352	0.176	20	30		DCEDRM
N#CCOc1ccc(CC(=O)Nc2c[nH]nc2-c2nnn[n-]2)cc1	ZINC001581858847	1165892267	/nfs/dbraw/zinc/89/22/67/1165892267.db2.gz	XYKNHUFPKONIGW-UHFFFAOYSA-N	-1	0	324.304	0.673	20	30		DCEDRM
N#Cc1ncc(NCCC[C@H]2CCOC2=O)nc1-c1nnn[n-]1	ZINC001581884218	1165904430	/nfs/dbraw/zinc/90/44/30/1165904430.db2.gz	PWQJPCYKVNLZNI-QMMMGPOBSA-N	-1	0	314.309	0.284	20	30		DCEDRM
N#Cc1ncc(N[C@H]2CC[C@H](CO)CC2)nc1-c1nnn[n-]1	ZINC001581884323	1165904962	/nfs/dbraw/zinc/90/49/62/1165904962.db2.gz	VBRBUNBNSPJWLN-KYZUINATSA-N	-1	0	300.326	0.491	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2cc3cc[nH]c3cn2)c(=O)[n-]c1=O	ZINC001583130723	1166209180	/nfs/dbraw/zinc/20/91/80/1166209180.db2.gz	NZFPMVHTHKGMCZ-UHFFFAOYSA-N	-1	0	324.300	0.726	20	30		DCEDRM
CCCCOCCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001586882546	1166499384	/nfs/dbraw/zinc/49/93/84/1166499384.db2.gz	SJUZETVGZAZYFN-UHFFFAOYSA-N	-1	0	308.338	0.144	20	30		DCEDRM
C#CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC001588349134	1166538259	/nfs/dbraw/zinc/53/82/59/1166538259.db2.gz	DEQWFXIZHHRNCS-UHFFFAOYSA-N	-1	0	322.306	0.029	20	30		DCEDRM
C#CCN(CC1CC1)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588432219	1166555832	/nfs/dbraw/zinc/55/58/32/1166555832.db2.gz	FHUKSWZWWDGGOG-CYBMUJFWSA-N	-1	0	321.377	0.507	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001588545697	1166559330	/nfs/dbraw/zinc/55/93/30/1166559330.db2.gz	LDBMXRVYEFJWKQ-SECBINFHSA-N	-1	0	303.322	0.487	20	30		DCEDRM
C=CCCC(C)(C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001588577915	1166564277	/nfs/dbraw/zinc/56/42/77/1166564277.db2.gz	QXWWTMCBJGWRGU-UHFFFAOYSA-N	-1	0	319.373	0.502	20	30		DCEDRM
C=CCCC(=O)N[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1	ZINC001588571447	1166565353	/nfs/dbraw/zinc/56/53/53/1166565353.db2.gz	XFUNFUNBSFCTME-JTQLQIEISA-N	-1	0	314.353	0.318	20	30		DCEDRM
C=CCCCS(=O)(=O)[N-]c1nn(C)c(C)c1-c1nn[nH]n1	ZINC001588603180	1166568740	/nfs/dbraw/zinc/56/87/40/1166568740.db2.gz	GHDUBAPUJWFXFD-UHFFFAOYSA-N	-1	0	311.371	0.617	20	30		DCEDRM
C=CCn1nnnc1Sc1cc(-c2nn[nH]n2)nc(CC)n1	ZINC001588716822	1166581553	/nfs/dbraw/zinc/58/15/53/1166581553.db2.gz	NCIPDZBZKRISIR-UHFFFAOYSA-N	-1	0	316.354	0.543	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C	ZINC001588727782	1166582962	/nfs/dbraw/zinc/58/29/62/1166582962.db2.gz	IXEHINKYUZJSSX-SNVBAGLBSA-N	-1	0	309.351	0.000	20	30		DCEDRM
C[C@H](CC(C)(C)C#N)OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001589795080	1166688176	/nfs/dbraw/zinc/68/81/76/1166688176.db2.gz	JHRUVSINAYJSSO-BDAKNGLRSA-N	-1	0	318.341	0.891	20	30		DCEDRM
C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001589795083	1166688768	/nfs/dbraw/zinc/68/87/68/1166688768.db2.gz	JHRUVSINAYJSSO-IUCAKERBSA-N	-1	0	318.341	0.891	20	30		DCEDRM
CC[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCCO1	ZINC001590525569	1166934681	/nfs/dbraw/zinc/93/46/81/1166934681.db2.gz	WZIBWRLEVNOCOF-VIFPVBQESA-N	-1	0	300.326	0.534	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2ccc(-c3nn[nH]n3)cc2)c1=O	ZINC001590949432	1167056276	/nfs/dbraw/zinc/05/62/76/1167056276.db2.gz	HHHBFPXLQIRNIN-UHFFFAOYSA-N	-1	0	323.316	0.130	20	30		DCEDRM
COC[C@]1(C)CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001591386484	1167255392	/nfs/dbraw/zinc/25/53/92/1167255392.db2.gz	MTMKSGOZYYJOEC-CYBMUJFWSA-N	-1	0	300.326	0.391	20	30		DCEDRM
Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC(C)(C#N)C1	ZINC001591870242	1167402773	/nfs/dbraw/zinc/40/27/73/1167402773.db2.gz	IXDKEHIVTREFJT-UHFFFAOYSA-N	-1	0	318.362	0.709	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1Cn1cnc(-c2nnn[n-]2)cc1=O	ZINC001591906143	1167415888	/nfs/dbraw/zinc/41/58/88/1167415888.db2.gz	YKROCZYHIYBLKP-UHFFFAOYSA-N	-1	0	307.317	0.960	20	30		DCEDRM
Cc1ccc(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)nc1Cl	ZINC001592172172	1167468466	/nfs/dbraw/zinc/46/84/66/1167468466.db2.gz	ZOVGBLIFRDOTOY-UHFFFAOYSA-N	-1	0	315.728	0.922	20	30		DCEDRM
Cc1n[nH]c(C)c1CCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001592325286	1167488144	/nfs/dbraw/zinc/48/81/44/1167488144.db2.gz	INXZPKYHHDNCHT-UHFFFAOYSA-N	-1	0	310.325	0.523	20	30		DCEDRM
N#Cc1ncc(N2CC[C@H](O)CC23CCC3)nc1-c1nnn[n-]1	ZINC001592708570	1167606043	/nfs/dbraw/zinc/60/60/43/1167606043.db2.gz	ZUGAVEVQAIBUCJ-VIFPVBQESA-N	-1	0	312.337	0.412	20	30		DCEDRM
N#Cc1ncc(N2C[C@@H]3CCC[C@]3(CO)C2)nc1-c1nnn[n-]1	ZINC001592708524	1167607795	/nfs/dbraw/zinc/60/77/95/1167607795.db2.gz	XGBBYKBITWEXDN-LKFCYVNXSA-N	-1	0	312.337	0.127	20	30		DCEDRM
N#Cc1ncc(NCCCOc2ncccn2)nc1-c1nnn[n-]1	ZINC001592709820	1167610082	/nfs/dbraw/zinc/61/00/82/1167610082.db2.gz	DKKVWXYAWSVFRC-UHFFFAOYSA-N	-1	0	324.308	0.199	20	30		DCEDRM
COC(=O)c1ccoc1Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001599004446	1168064989	/nfs/dbraw/zinc/06/49/89/1168064989.db2.gz	ISRBLRYCRKYRJH-UHFFFAOYSA-N	-1	0	302.242	0.846	20	30		DCEDRM
Cc1nc2sccn2c(=O)c1CCN(CC#N)CC(=O)[O-]	ZINC001600731565	1168264355	/nfs/dbraw/zinc/26/43/55/1168264355.db2.gz	VYTRKNRKPAXRRB-UHFFFAOYSA-N	-1	0	306.347	0.517	20	30		DCEDRM
Cc1nn(C)c(=O)c(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1C	ZINC001600767468	1168283152	/nfs/dbraw/zinc/28/31/52/1168283152.db2.gz	YINSDXSSHUOYJL-UHFFFAOYSA-N	-1	0	318.333	0.228	20	30		DCEDRM
Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@]1(C#N)CCCOC1	ZINC001600779813	1168293076	/nfs/dbraw/zinc/29/30/76/1168293076.db2.gz	ORNFPMIEUBXGJM-HNNXBMFYSA-N	-1	0	320.349	0.521	20	30		DCEDRM
Cc1oc(C=Nn2cnc3c(cnn3C)c2=O)cc1C(=O)[O-]	ZINC001600838051	1168481248	/nfs/dbraw/zinc/48/12/48/1168481248.db2.gz	LXAOWRWHJLSOOH-UHFFFAOYSA-N	-1	0	301.262	0.612	20	30		DCEDRM
Cc1onc2c1c(C(=O)[O-])nn(CN(C)[C@@H](C)CC#N)c2=O	ZINC001600864416	1168492648	/nfs/dbraw/zinc/49/26/48/1168492648.db2.gz	MWTHELYORRAVFP-ZETCQYMHSA-N	-1	0	305.294	0.583	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001600899574	1168499286	/nfs/dbraw/zinc/49/92/86/1168499286.db2.gz	NDXKQKYRGHMANY-LBPRGKRZSA-N	-1	0	319.317	0.519	20	30		DCEDRM
Cn1ccc(-c2cc(C(=O)N(CC#N)CCC(=O)[O-])[nH]n2)c1	ZINC001600970675	1168537149	/nfs/dbraw/zinc/53/71/49/1168537149.db2.gz	IOCUBPXUAZQBRC-UHFFFAOYSA-N	-1	0	301.306	0.856	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC1	ZINC001601051756	1168577784	/nfs/dbraw/zinc/57/77/84/1168577784.db2.gz	SQYUARPOSCUOTR-JZRPKSSGSA-N	-1	0	319.361	0.810	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC1	ZINC001601051758	1168577884	/nfs/dbraw/zinc/57/78/84/1168577884.db2.gz	SQYUARPOSCUOTR-OBPIAQAESA-N	-1	0	319.361	0.810	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CC[C@H]2CCOC2)CC1	ZINC001601052521	1168577922	/nfs/dbraw/zinc/57/79/22/1168577922.db2.gz	RNABIDDTXIMBPW-LLVKDONJSA-N	-1	0	316.379	0.433	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C(=O)N(C2CC2)C2CC2)CC1	ZINC001601049492	1168577924	/nfs/dbraw/zinc/57/79/24/1168577924.db2.gz	RXBLJKNRXRPZKR-UHFFFAOYSA-N	-1	0	305.334	0.357	20	30		DCEDRM
N#CC1(NC(=O)CN2CCC([C@H](O)C(=O)[O-])CC2)CCCCC1	ZINC001601056778	1168578261	/nfs/dbraw/zinc/57/82/61/1168578261.db2.gz	AHHYGAWYKHYQCZ-AWEZNQCLSA-N	-1	0	323.393	0.487	20	30		DCEDRM
N#CC1(CCCN2CCNC(=O)[C@@H]2CC(=O)[O-])CCOCC1	ZINC001601054717	1168578524	/nfs/dbraw/zinc/57/85/24/1168578524.db2.gz	REPXNUSNEMRYIX-LBPRGKRZSA-N	-1	0	309.366	0.362	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCCCC1	ZINC001601056577	1168578606	/nfs/dbraw/zinc/57/86/06/1168578606.db2.gz	PLNOVOFWYBZVCS-XYPYZODXSA-N	-1	0	307.350	0.556	20	30		DCEDRM
N#CCC1(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)CC1	ZINC001601061940	1168578779	/nfs/dbraw/zinc/57/87/79/1168578779.db2.gz	KAJKBRXYKLCMQX-UHFFFAOYSA-N	-1	0	302.290	0.528	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)CCO1	ZINC001601060915	1168578939	/nfs/dbraw/zinc/57/89/39/1168578939.db2.gz	MKHCOKMDNRMSMY-VIFPVBQESA-N	-1	0	324.724	0.867	20	30		DCEDRM
N#CC[C@H](NC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)C(F)(F)F	ZINC001601062078	1168579038	/nfs/dbraw/zinc/57/90/38/1168579038.db2.gz	MERFVQIPAAYRRJ-CSMHCCOUSA-N	-1	0	309.244	0.308	20	30		DCEDRM
N#CC1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	ZINC001601061169	1168579163	/nfs/dbraw/zinc/57/91/63/1168579163.db2.gz	TYWPWIYFKQRBJJ-ZETOZRRWSA-N	-1	0	305.334	0.118	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])C1	ZINC001601058138	1168579294	/nfs/dbraw/zinc/57/92/94/1168579294.db2.gz	MZSBGIUCUKYEQW-CQSZACIVSA-N	-1	0	323.255	0.927	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C1CN(C(=O)C2CCCCC2)C1	ZINC001601069158	1168580429	/nfs/dbraw/zinc/58/04/29/1168580429.db2.gz	HJZFQGKVFLGXNC-UHFFFAOYSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@H](n1cccn1)C(F)(F)F	ZINC001601069027	1168580618	/nfs/dbraw/zinc/58/06/18/1168580618.db2.gz	AEDGLHPMROZAOQ-QMMMGPOBSA-N	-1	0	304.228	0.813	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1	ZINC001601071305	1168581280	/nfs/dbraw/zinc/58/12/80/1168581280.db2.gz	ZCJCEHYYVZNENP-GFCCVEGCSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@]1(C2CCCC2)CCNC1=O	ZINC001601072815	1168581796	/nfs/dbraw/zinc/58/17/96/1168581796.db2.gz	ZVGBHPHVEZVBMH-HNNXBMFYSA-N	-1	0	307.350	0.510	20	30		DCEDRM
N#CCSCC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001601075641	1168582259	/nfs/dbraw/zinc/58/22/59/1168582259.db2.gz	ICGKROBJWAGIAD-CQSZACIVSA-N	-1	0	312.391	0.852	20	30		DCEDRM
N#CCOc1ccccc1C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001601075333	1168582290	/nfs/dbraw/zinc/58/22/90/1168582290.db2.gz	BXIXBNGMSXVFEE-UHFFFAOYSA-N	-1	0	319.317	0.300	20	30		DCEDRM
N#CCc1cccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1	ZINC001601077411	1168582369	/nfs/dbraw/zinc/58/23/69/1168582369.db2.gz	CSOPJXMNAYYESE-GFCCVEGCSA-N	-1	0	301.302	0.168	20	30		DCEDRM
N#CCOc1cccc(OS(=O)(=O)c2n[nH]cc2C(=O)[O-])c1	ZINC001601075737	1168582579	/nfs/dbraw/zinc/58/25/79/1168582579.db2.gz	OTDFQFMQKHJQBQ-UHFFFAOYSA-N	-1	0	323.286	0.778	20	30		DCEDRM
N#C[C@@]12CN(Cc3ccccc3C(=O)[O-])C[C@@H]1CS(=O)(=O)C2	ZINC001601079889	1168582709	/nfs/dbraw/zinc/58/27/09/1168582709.db2.gz	VJRNESYRXCBGGF-DOMZBBRYSA-N	-1	0	320.370	0.755	20	30		DCEDRM
N#C[C@@]12CN([C@@H](C(=O)[O-])c3ccccc3)C[C@H]1CS(=O)(=O)C2	ZINC001601079541	1168583035	/nfs/dbraw/zinc/58/30/35/1168583035.db2.gz	LPAAQJOXUGTGDA-GUTXKFCHSA-N	-1	0	320.370	0.682	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001601078580	1168583203	/nfs/dbraw/zinc/58/32/03/1168583203.db2.gz	QGLDTJUCNVTEOC-NSHDSACASA-N	-1	0	310.331	0.227	20	30		DCEDRM
N#Cc1c(F)cccc1-n1ccc(NC(=O)COCC(=O)[O-])n1	ZINC001601083036	1168583133	/nfs/dbraw/zinc/58/31/33/1168583133.db2.gz	YHSSNEAODYZOOS-UHFFFAOYSA-N	-1	0	318.264	0.923	20	30		DCEDRM
N#CCn1c(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)nc2ccccc2c1=O	ZINC001601079085	1168583163	/nfs/dbraw/zinc/58/31/63/1168583163.db2.gz	MLEZXAQRIXPTHF-JYAVWHMHSA-N	-1	0	324.340	0.682	20	30		DCEDRM
N#Cc1c2c(cn(CCc3cn(CC(=O)[O-])nn3)c1=O)CCC2	ZINC001601084448	1168583311	/nfs/dbraw/zinc/58/33/11/1168583311.db2.gz	VCLPMPATNZDHQV-UHFFFAOYSA-N	-1	0	313.317	0.127	20	30		DCEDRM
N#Cc1c(NC(=O)c2cc(C(=O)[O-])on2)ncc2c1COCC2	ZINC001601084422	1168583461	/nfs/dbraw/zinc/58/34/61/1168583461.db2.gz	UIILKLZADJATMY-UHFFFAOYSA-N	-1	0	314.257	0.964	20	30		DCEDRM
N#Cc1cc(C#N)c(SC[C@H]2CC(C(=O)[O-])=NO2)nc1N	ZINC001601085064	1168583648	/nfs/dbraw/zinc/58/36/48/1168583648.db2.gz	SUMGQXSFLBRWSU-MRVPVSSYSA-N	-1	0	303.303	0.729	20	30		DCEDRM
N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	ZINC001601088473	1168583679	/nfs/dbraw/zinc/58/36/79/1168583679.db2.gz	VSXKMFDNMXFXJK-VIFPVBQESA-N	-1	0	318.738	0.326	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001601089536	1168584006	/nfs/dbraw/zinc/58/40/06/1168584006.db2.gz	ZLAHKPSTNVRICP-ZYHUDNBSSA-N	-1	0	312.322	0.837	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)cn1	ZINC001601091838	1168583895	/nfs/dbraw/zinc/58/38/95/1168583895.db2.gz	BHMCLCQRHDBCCE-LLVKDONJSA-N	-1	0	312.289	0.330	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)NC2(CC(=O)[O-])CC2)cc1	ZINC001601093965	1168584154	/nfs/dbraw/zinc/58/41/54/1168584154.db2.gz	KEJSXDFYRILEBG-UHFFFAOYSA-N	-1	0	301.302	0.412	20	30		DCEDRM
N#Cc1cc(NC[C@H](O)CC(=O)[O-])ncc1Br	ZINC001601090839	1168584156	/nfs/dbraw/zinc/58/41/56/1168584156.db2.gz	WYJSGTAFYXRXAE-SSDOTTSWSA-N	-1	0	300.112	0.963	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)cc1	ZINC001601097139	1168584792	/nfs/dbraw/zinc/58/47/92/1168584792.db2.gz	YGJMDQBQLIKWMC-GARJFASQSA-N	-1	0	310.256	0.674	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)NCC2(C(=O)[O-])CCOCC2)cc1	ZINC001601096998	1168584803	/nfs/dbraw/zinc/58/48/03/1168584803.db2.gz	SFRGLQLIVISADW-CYBMUJFWSA-N	-1	0	318.329	0.589	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@]2(CC(=O)[O-])CCCOC2)nc1	ZINC001601108906	1168586338	/nfs/dbraw/zinc/58/63/38/1168586338.db2.gz	YKGBKBUYGKPEJH-HNNXBMFYSA-N	-1	0	318.333	0.505	20	30		DCEDRM
N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C(=O)[O-])nc1	ZINC001601106788	1168586449	/nfs/dbraw/zinc/58/64/49/1168586449.db2.gz	CUYWNXQXBSZYDQ-SSKLVLDBSA-N	-1	0	312.329	0.225	20	30		DCEDRM
N#Cc1cccc(NC(=O)CN2CCC[C@H](O)[C@@H]2C(=O)[O-])c1	ZINC001601120888	1168587454	/nfs/dbraw/zinc/58/74/54/1168587454.db2.gz	RCAUUVIARXCMHI-GXTWGEPZSA-N	-1	0	303.318	0.407	20	30		DCEDRM
N#Cc1cccc(ON2C(=O)[C@@H]3CC[C@@H](C(=O)[O-])CN3C2=O)c1	ZINC001601123750	1168588103	/nfs/dbraw/zinc/58/81/03/1168588103.db2.gz	RHSMUCXJTJRJKX-PWSUYJOCSA-N	-1	0	315.285	0.979	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c1	ZINC001601122369	1168588251	/nfs/dbraw/zinc/58/82/51/1168588251.db2.gz	JTXAFMGPWDHFEO-ZDUSSCGKSA-N	-1	0	315.329	0.498	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1	ZINC001601121816	1168588419	/nfs/dbraw/zinc/58/84/19/1168588419.db2.gz	YWARTGZMRHLKBN-NEPJUHHUSA-N	-1	0	310.331	0.157	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001601126224	1168589470	/nfs/dbraw/zinc/58/94/70/1168589470.db2.gz	ZMDHBBCRYPFXPJ-LLVKDONJSA-N	-1	0	320.301	0.269	20	30		DCEDRM
N#Cc1cccnc1NC/C=C\CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001601128442	1168589930	/nfs/dbraw/zinc/58/99/30/1168589930.db2.gz	QNUHCKVEVWEJCK-VHYYUZIWSA-N	-1	0	300.318	0.758	20	30		DCEDRM
N#Cc1cccnc1N1CCN(c2cc(C(=O)[O-])ncn2)CC1	ZINC001601128044	1168590448	/nfs/dbraw/zinc/59/04/48/1168590448.db2.gz	GBHKJKFXIKEIMI-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)n1	ZINC001601135236	1168592315	/nfs/dbraw/zinc/59/23/15/1168592315.db2.gz	LGDAOMDAWSEOJH-UHFFFAOYSA-N	-1	0	318.318	0.821	20	30		DCEDRM
N#Cc1nccc(NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1	ZINC001601133969	1168592377	/nfs/dbraw/zinc/59/23/77/1168592377.db2.gz	AQJFGVARGXIDFK-IUCAKERBSA-N	-1	0	301.306	0.130	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001601133092	1168593422	/nfs/dbraw/zinc/59/34/22/1168593422.db2.gz	LNQKZXVESOIFKO-MNOVXSKESA-N	-1	0	302.334	0.927	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NCc1nnc2n1CCOC2	ZINC001601134548	1168593527	/nfs/dbraw/zinc/59/35/27/1168593527.db2.gz	GZNGLLOMNZACKS-UHFFFAOYSA-N	-1	0	300.278	0.385	20	30		DCEDRM
N#Cc1ncccc1OS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001601135464	1168594449	/nfs/dbraw/zinc/59/44/49/1168594449.db2.gz	YFJZUQXBQVGLJA-UHFFFAOYSA-N	-1	0	308.275	0.002	20	30		DCEDRM
O=C([O-])[C@@H]1CN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CCO1	ZINC001601238609	1168673193	/nfs/dbraw/zinc/67/31/93/1168673193.db2.gz	LUIRAESLZCCYQH-RJNRQISESA-N	-1	0	307.277	0.720	20	30		DCEDRM
O=C([O-])c1cnn(CC(=O)NCc2ccc(C(=O)NO)cc2)c1	ZINC001601379853	1168724579	/nfs/dbraw/zinc/72/45/79/1168724579.db2.gz	MIQINWOHKVMJLW-UHFFFAOYSA-N	-1	0	318.289	0.017	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001602682902	1169158347	/nfs/dbraw/zinc/15/83/47/1169158347.db2.gz	GZOQUIBBKUEDRX-GHMZBOCLSA-N	-1	0	320.349	0.754	20	30		DCEDRM
C#CC[C@@H](COC)NS(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001602682508	1169158555	/nfs/dbraw/zinc/15/85/55/1169158555.db2.gz	AFAYNQBOMYFJDZ-JTQLQIEISA-N	-1	0	300.336	0.040	20	30		DCEDRM
C#C[C@@H]1CCCN(Cn2cc3c(c(-c4nnn[n-]4)c2=O)CCC3)C1	ZINC001602696810	1169162732	/nfs/dbraw/zinc/16/27/32/1169162732.db2.gz	NXSCUXALUUWYGU-GFCCVEGCSA-N	-1	0	324.388	0.820	20	30		DCEDRM
C#CCC1(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCCC1	ZINC001602700542	1169164157	/nfs/dbraw/zinc/16/41/57/1169164157.db2.gz	YMTMALYBRALAMA-UHFFFAOYSA-N	-1	0	314.353	0.301	20	30		DCEDRM
C#C[C@H]1CCCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1	ZINC001602697633	1169164750	/nfs/dbraw/zinc/16/47/50/1169164750.db2.gz	YPKUTKYTNOLDFM-JTQLQIEISA-N	-1	0	318.362	0.296	20	30		DCEDRM
C#CCCCS(=O)(=O)N1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001602710454	1169166311	/nfs/dbraw/zinc/16/63/11/1169166311.db2.gz	FYLUVAMMOAHWDU-MROQNXINSA-N	-1	0	315.391	0.825	20	30		DCEDRM
C#CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCN(C(=O)CC)CC1	ZINC001602711360	1169166447	/nfs/dbraw/zinc/16/64/47/1169166447.db2.gz	FLSISCVPLPXAGL-CHWSQXEVSA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#CCCOC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1	ZINC001602708312	1169166584	/nfs/dbraw/zinc/16/65/84/1169166584.db2.gz	MJKQPECTBXRYJT-UHFFFAOYSA-N	-1	0	303.336	0.158	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(C(=O)[O-])ccc1COC	ZINC001602715643	1169168475	/nfs/dbraw/zinc/16/84/75/1169168475.db2.gz	LUSSQXUOCLBBKB-UHFFFAOYSA-N	-1	0	321.354	0.788	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1	ZINC001602713367	1169168736	/nfs/dbraw/zinc/16/87/36/1169168736.db2.gz	AAMKKDZGRMPDBR-SECBINFHSA-N	-1	0	321.358	0.249	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC001602715439	1169168757	/nfs/dbraw/zinc/16/87/57/1169168757.db2.gz	HQBXREXOHMUEHQ-UHFFFAOYSA-N	-1	0	314.297	0.427	20	30		DCEDRM
C#CCN1CCC(NS(=O)(=O)c2cncc(C(=O)[O-])c2)CC1	ZINC001602721088	1169170639	/nfs/dbraw/zinc/17/06/39/1169170639.db2.gz	VBDFHXWXRUNBBX-UHFFFAOYSA-N	-1	0	323.374	0.156	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1	ZINC001602721114	1169173104	/nfs/dbraw/zinc/17/31/04/1169173104.db2.gz	WGLXQGZMYBOIAV-ZQIUZPCESA-N	-1	0	319.405	0.980	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001602730609	1169174590	/nfs/dbraw/zinc/17/45/90/1169174590.db2.gz	UZTAGLULLJCRIL-STQMWFEESA-N	-1	0	303.314	0.606	20	30		DCEDRM
C#CCOc1ccc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)cc1	ZINC001602732360	1169174754	/nfs/dbraw/zinc/17/47/54/1169174754.db2.gz	YCQIHRVGJWGGCQ-UHFFFAOYSA-N	-1	0	309.289	0.854	20	30		DCEDRM
C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])c(F)c1	ZINC001602740181	1169176145	/nfs/dbraw/zinc/17/61/45/1169176145.db2.gz	ZBPIDJAGKBIXIG-ZETCQYMHSA-N	-1	0	310.256	0.864	20	30		DCEDRM
C#Cc1ccc(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1	ZINC001602738888	1169176158	/nfs/dbraw/zinc/17/61/58/1169176158.db2.gz	QPOYTDOMXYCTHO-UHFFFAOYSA-N	-1	0	305.315	0.568	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)cn1	ZINC001602739573	1169176336	/nfs/dbraw/zinc/17/63/36/1169176336.db2.gz	JOVWCWDCBBDLBC-NWDGAFQWSA-N	-1	0	302.286	0.009	20	30		DCEDRM
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c(F)c1	ZINC001602739504	1169176344	/nfs/dbraw/zinc/17/63/44/1169176344.db2.gz	GVRGQWGDVLZKFS-SSDOTTSWSA-N	-1	0	310.256	0.722	20	30		DCEDRM
C#Cc1ccc(C(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)cc1	ZINC001602739339	1169176738	/nfs/dbraw/zinc/17/67/38/1169176738.db2.gz	CQKUVYKQHWDXNZ-NSHDSACASA-N	-1	0	324.340	0.808	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1Cn1nnnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001602746372	1169178303	/nfs/dbraw/zinc/17/83/03/1169178303.db2.gz	BPMHVWUOTJNGJJ-XUJVJEKNSA-N	-1	0	321.381	0.955	20	30		DCEDRM
C=C(C)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC001602762525	1169181323	/nfs/dbraw/zinc/18/13/23/1169181323.db2.gz	VSAGEMYZBGEQIP-LBPRGKRZSA-N	-1	0	304.302	0.558	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)NCc1cc(C(=O)[O-])c(C)o1	ZINC001602815652	1169186350	/nfs/dbraw/zinc/18/63/50/1169186350.db2.gz	BXARPTLCBBDHQT-SECBINFHSA-N	-1	0	310.306	0.220	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1	ZINC001602855357	1169192028	/nfs/dbraw/zinc/19/20/28/1169192028.db2.gz	NUYTZEDGIYMAKR-YPMHNXCESA-N	-1	0	324.377	0.095	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001602842796	1169192458	/nfs/dbraw/zinc/19/24/58/1169192458.db2.gz	PLMYPRWQSXWKKK-SNVBAGLBSA-N	-1	0	310.331	0.472	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001602842358	1169192923	/nfs/dbraw/zinc/19/29/23/1169192923.db2.gz	HQDAKBDPTBRWJC-JTQLQIEISA-N	-1	0	322.317	0.385	20	30		DCEDRM
C=CCN1CC[C@H](OC(=O)c2ccc(-c3nn[nH]n3)nc2)C1=O	ZINC001602862534	1169193636	/nfs/dbraw/zinc/19/36/36/1169193636.db2.gz	JILMLAMMKGLKOI-NSHDSACASA-N	-1	0	314.305	0.205	20	30		DCEDRM
C=CCNC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1[O-]	ZINC001602863754	1169193696	/nfs/dbraw/zinc/19/36/96/1169193696.db2.gz	ODQUXQZBNOXMQO-SECBINFHSA-N	-1	0	302.338	0.525	20	30		DCEDRM
C=CCN1CC(=O)N(CCc2ccc(-c3nn[nH]n3)cc2)C1=O	ZINC001602863513	1169194354	/nfs/dbraw/zinc/19/43/54/1169194354.db2.gz	XUVQKKLMXVENJI-UHFFFAOYSA-N	-1	0	312.333	0.859	20	30		DCEDRM
C=CCCC[C@H](NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC001602865143	1169195596	/nfs/dbraw/zinc/19/55/96/1169195596.db2.gz	FFZCACZNMOGNLC-JTQLQIEISA-N	-1	0	309.370	0.896	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(-c2nn[nH]n2)oc1C	ZINC001602863924	1169196257	/nfs/dbraw/zinc/19/62/57/1169196257.db2.gz	RVQMSBWUUSQKIQ-VIFPVBQESA-N	-1	0	300.278	0.393	20	30		DCEDRM
C=CCCCCNC(=O)C(=O)NCc1ncc(C(=O)[O-])s1	ZINC001602869538	1169197081	/nfs/dbraw/zinc/19/70/81/1169197081.db2.gz	FQNJYGHCCOBKTI-UHFFFAOYSA-N	-1	0	311.363	0.930	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)Cc2noc(CCCC(=O)[O-])n2)C1=O	ZINC001602897857	1169199233	/nfs/dbraw/zinc/19/92/33/1169199233.db2.gz	FSICGBKIPLDZNP-LLVKDONJSA-N	-1	0	322.365	0.696	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)C(=O)OC	ZINC001602912729	1169202883	/nfs/dbraw/zinc/20/28/83/1169202883.db2.gz	BPYIFGQGRWDMLA-XOIDGJRKSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)C(=O)[O-]	ZINC001602909032	1169203179	/nfs/dbraw/zinc/20/31/79/1169203179.db2.gz	KWPTUUDYOYXLMD-ZDUSSCGKSA-N	-1	0	318.329	0.496	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1sccc1-n1ccnn1)C(=O)[O-]	ZINC001602914742	1169203898	/nfs/dbraw/zinc/20/38/98/1169203898.db2.gz	BURAGHQBYQCUMP-VIFPVBQESA-N	-1	0	322.346	0.714	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnn2c1cccc2OC)C(=O)[O-]	ZINC001602913301	1169204128	/nfs/dbraw/zinc/20/41/28/1169204128.db2.gz	NHZYLPIKAOWWLA-LLVKDONJSA-N	-1	0	319.317	0.729	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccn(CC(C)C)c1=O)C(=O)[O-]	ZINC001602913509	1169204406	/nfs/dbraw/zinc/20/44/06/1169204406.db2.gz	SWXVKZPVODJZTE-CYBMUJFWSA-N	-1	0	322.361	0.890	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(-n2cncn2)cc1)C(=O)[O-]	ZINC001602913498	1169204656	/nfs/dbraw/zinc/20/46/56/1169204656.db2.gz	SOHREVNSYZRZAZ-ZDUSSCGKSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc([S@](C)=O)cc1)C(=O)[O-]	ZINC001602913505	1169204978	/nfs/dbraw/zinc/20/49/78/1169204978.db2.gz	SVAVYCXJKNIZCY-GTJPDFRWSA-N	-1	0	311.359	0.810	20	30		DCEDRM
C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602931852	1169210302	/nfs/dbraw/zinc/21/03/02/1169210302.db2.gz	DDBVEGSLZGQEHR-GHMZBOCLSA-N	-1	0	319.365	0.321	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001602944587	1169216023	/nfs/dbraw/zinc/21/60/23/1169216023.db2.gz	CJAFDBISJYNOCA-WHOHXGKFSA-N	-1	0	303.380	0.893	20	30		DCEDRM
C[C@H](C(=O)OCC#CC(C)(C)C)n1cnc(-c2nnn[n-]2)n1	ZINC001603031179	1169234666	/nfs/dbraw/zinc/23/46/66/1169234666.db2.gz	BHIBAPCXVKVUFQ-SECBINFHSA-N	-1	0	303.326	0.612	20	30		DCEDRM
C[C@H](C(=O)N[C@H](C(=O)[O-])c1cccc(O)c1)n1cnc(C#N)n1	ZINC001603153655	1169256410	/nfs/dbraw/zinc/25/64/10/1169256410.db2.gz	ODNNPMPQQJMJPL-PELKAZGASA-N	-1	0	315.289	0.358	20	30		DCEDRM
C[C@H](C(=O)[O-])N(CC(F)F)S(=O)(=O)c1cncc(C#N)c1	ZINC001603198730	1169274118	/nfs/dbraw/zinc/27/41/18/1169274118.db2.gz	OABAKAPPAXXNKW-SSDOTTSWSA-N	-1	0	319.289	0.682	20	30		DCEDRM
CC(C)(C#N)CNC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001603230760	1169276534	/nfs/dbraw/zinc/27/65/34/1169276534.db2.gz	YZBAAYXYHYWQJB-SNVBAGLBSA-N	-1	0	320.353	0.873	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001603295943	1169289118	/nfs/dbraw/zinc/28/91/18/1169289118.db2.gz	XORDWKNCFQVFKH-VXGBXAGGSA-N	-1	0	320.389	0.912	20	30		DCEDRM
C[C@@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)[C@@H]1CCCO1	ZINC001603448871	1169306297	/nfs/dbraw/zinc/30/62/97/1169306297.db2.gz	KXIDDSUQQOFNPS-CBAPKCEASA-N	-1	0	316.325	0.605	20	30		DCEDRM
CC(C)C#CC(=O)N(C)[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001603699731	1169364348	/nfs/dbraw/zinc/36/43/48/1169364348.db2.gz	AZUIITGJVSRZFA-GFCCVEGCSA-N	-1	0	316.361	0.871	20	30		DCEDRM
C[C@H](C1CC1)N(C)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001604052114	1169481235	/nfs/dbraw/zinc/48/12/35/1169481235.db2.gz	YFNQMGUAESBKRO-SNVBAGLBSA-N	-1	0	315.395	0.652	20	30		DCEDRM
C[C@@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)C#CC1CC1	ZINC001604191051	1169519585	/nfs/dbraw/zinc/51/95/85/1169519585.db2.gz	QMKLDTVPAZARNQ-JTQLQIEISA-N	-1	0	302.334	0.847	20	30		DCEDRM
CC1(C#N)CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1	ZINC001604483339	1169600326	/nfs/dbraw/zinc/60/03/26/1169600326.db2.gz	PXGJZHBZXZVUPW-NSHDSACASA-N	-1	0	307.350	0.462	20	30		DCEDRM
CC1(C)C[C@]1(C#N)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001604519020	1169609037	/nfs/dbraw/zinc/60/90/37/1169609037.db2.gz	NNOKBJWQDYZGFN-SNVBAGLBSA-N	-1	0	301.349	0.812	20	30		DCEDRM
CC1(C)OC[C@@H](CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)O1	ZINC001604561126	1169617652	/nfs/dbraw/zinc/61/76/52/1169617652.db2.gz	ZIKSATXCJXVBEH-SNVBAGLBSA-N	-1	0	311.338	0.538	20	30		DCEDRM
C[C@H]1[C@H](CO)CCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001604644597	1169641485	/nfs/dbraw/zinc/64/14/85/1169641485.db2.gz	NQQBIZWVZKXMOG-ONGXEEELSA-N	-1	0	324.358	0.648	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2csc(C(=O)[O-])n2)C[C@@H](C)N1CC#N	ZINC001604782781	1169679244	/nfs/dbraw/zinc/67/92/44/1169679244.db2.gz	GCAILLIZQMVUMF-RKDXNWHRSA-N	-1	0	308.363	0.900	20	30		DCEDRM
COC(=O)C[C@H](C)Sc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001604931081	1169750666	/nfs/dbraw/zinc/75/06/66/1169750666.db2.gz	LAIYZYFTSLQGQS-LURJTMIESA-N	-1	0	305.323	0.572	20	30		DCEDRM
CCC(CC)(C(=O)[O-])C(=O)Cn1c(=O)c(C#N)c(C)n(C)c1=O	ZINC001604987639	1169771279	/nfs/dbraw/zinc/77/12/79/1169771279.db2.gz	YFJVYOYSCPNRQQ-UHFFFAOYSA-N	-1	0	321.333	0.187	20	30		DCEDRM
CCC[C@@H](CCCS(C)(=O)=O)C(=O)N(CC#N)CC(=O)[O-]	ZINC001605211844	1169874253	/nfs/dbraw/zinc/87/42/53/1169874253.db2.gz	OSLOEWNMJPWSJA-NSHDSACASA-N	-1	0	318.395	0.664	20	30		DCEDRM
COc1ccc(C)cc1Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC001605263564	1169883812	/nfs/dbraw/zinc/88/38/12/1169883812.db2.gz	BPOHMWOGYOWFQE-UHFFFAOYSA-N	-1	0	310.321	0.882	20	30		DCEDRM
CCCN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@H](C)C(=O)[O-]	ZINC001605298136	1169889080	/nfs/dbraw/zinc/88/90/80/1169889080.db2.gz	MDCWMCWVXMZBCU-LLVKDONJSA-N	-1	0	317.345	1.000	20	30		DCEDRM
Cc1cc(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)ccc1N(C)C	ZINC001605670902	1169983192	/nfs/dbraw/zinc/98/31/92/1169983192.db2.gz	FFSVEANJPIPSLL-UHFFFAOYSA-N	-1	0	323.364	0.940	20	30		DCEDRM
CCS(=O)(=O)N1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001605725299	1169992748	/nfs/dbraw/zinc/99/27/48/1169992748.db2.gz	FYABJXTWFLJFNF-UHFFFAOYSA-N	-1	0	324.362	0.123	20	30		DCEDRM
Cc1cccnc1C=CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001605947526	1170031479	/nfs/dbraw/zinc/03/14/79/1170031479.db2.gz	QHJKLECTECJTHI-PLNGDYQASA-N	-1	0	321.304	0.817	20	30		DCEDRM
CN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001605961607	1170038141	/nfs/dbraw/zinc/03/81/41/1170038141.db2.gz	KLALCTBKFKUAIB-LEGRTBSFSA-N	-1	0	321.333	0.225	20	30		DCEDRM
Cc1nccc(CCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)n1	ZINC001606092955	1170074891	/nfs/dbraw/zinc/07/48/91/1170074891.db2.gz	AYEGJHWJWOIQBK-UHFFFAOYSA-N	-1	0	324.308	0.131	20	30		DCEDRM
N#C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1	ZINC001606346026	1170165540	/nfs/dbraw/zinc/16/55/40/1170165540.db2.gz	ULTPSCPTAAAQRH-QMMMGPOBSA-N	-1	0	308.323	0.384	20	30		DCEDRM
COC(=O)C1(O)CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001606356736	1170169881	/nfs/dbraw/zinc/16/98/81/1170169881.db2.gz	JIZBNPMKGWJORK-UHFFFAOYSA-N	-1	0	305.290	0.156	20	30		DCEDRM
N#Cc1ncc(N2CC[C@@H]([C@@H]3CCCO3)C2)nc1-c1nnn[n-]1	ZINC001606397610	1170183909	/nfs/dbraw/zinc/18/39/09/1170183909.db2.gz	VLTTXGFHLSDEOG-KOLCDFICSA-N	-1	0	312.337	0.534	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCCn3nccc32)nc1-c1nnn[n-]1	ZINC001606398100	1170184117	/nfs/dbraw/zinc/18/41/17/1170184117.db2.gz	LZZLXJIHINFSJR-MRVPVSSYSA-N	-1	0	308.309	0.672	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2cc(C#N)ccn2)[C@@H](C(=O)[O-])C1	ZINC001606406397	1170188394	/nfs/dbraw/zinc/18/83/94/1170188394.db2.gz	FKNAPHIOKJPOIR-CMPLNLGQSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)NCC2(CC#N)CC2)C[C@H]1C(=O)[O-]	ZINC001606418501	1170192964	/nfs/dbraw/zinc/19/29/64/1170192964.db2.gz	MTEKADSKWUXGCR-ZJUUUORDSA-N	-1	0	309.322	0.195	20	30		DCEDRM
COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)C[C@H]1C(=O)[O-]	ZINC001606431287	1170198474	/nfs/dbraw/zinc/19/84/74/1170198474.db2.gz	JJBUVXZYDKYWTC-MNOVXSKESA-N	-1	0	319.273	0.776	20	30		DCEDRM
COC(=O)c1cccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])c1C#N	ZINC001606617112	1170244199	/nfs/dbraw/zinc/24/41/99/1170244199.db2.gz	ZHORJGIHJKSJNL-MFKMUULPSA-N	-1	0	304.302	0.365	20	30		DCEDRM
COCC#CC(=O)N[C@](C)(Cn1cnc2ccccc21)C(=O)[O-]	ZINC001606770363	1170283516	/nfs/dbraw/zinc/28/35/16/1170283516.db2.gz	MMWYFHMTIHMORA-MRXNPFEDSA-N	-1	0	315.329	0.646	20	30		DCEDRM
COc1ccccc1CN(C)C(=O)CN(CC#N)CCC(=O)[O-]	ZINC001607343834	1170430858	/nfs/dbraw/zinc/43/08/58/1170430858.db2.gz	JNEOKTGQDFROAD-UHFFFAOYSA-N	-1	0	319.361	0.954	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C=Cc3cccnc3)C2)c(=O)[n-]c1=O	ZINC001607490026	1170465878	/nfs/dbraw/zinc/46/58/78/1170465878.db2.gz	SXBCRKMXJMPUTA-ARJAWSKDSA-N	-1	0	323.312	0.312	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)cc1	ZINC001607497402	1170467360	/nfs/dbraw/zinc/46/73/60/1170467360.db2.gz	GUJZMUSTLTWMCF-UHFFFAOYSA-N	-1	0	320.308	0.499	20	30		DCEDRM
Cc1c(C(=O)N(CC(=O)[O-])C2CCOCC2)cnn1CCC#N	ZINC001607503740	1170469603	/nfs/dbraw/zinc/46/96/03/1170469603.db2.gz	RCABFFBTIIGVQE-UHFFFAOYSA-N	-1	0	320.349	0.811	20	30		DCEDRM
Cc1ccc(C(=O)/C=C/C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC001607725362	1170500164	/nfs/dbraw/zinc/50/01/64/1170500164.db2.gz	XDJZBXKYYOXONW-AMRKSYTLSA-N	-1	0	303.314	0.780	20	30		DCEDRM
Cc1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C#N	ZINC001607782052	1170506613	/nfs/dbraw/zinc/50/66/13/1170506613.db2.gz	BCZLZLPLYVNHMT-ZDUSSCGKSA-N	-1	0	303.318	0.862	20	30		DCEDRM
Cc1ccc(S(C)(=O)=O)cc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001607822987	1170510401	/nfs/dbraw/zinc/51/04/01/1170510401.db2.gz	NSNVFOVROBCILV-UHFFFAOYSA-N	-1	0	324.358	0.839	20	30		DCEDRM
Cn1cc(NC(=O)C(=O)NCC2(CC#N)CC2)cc1C(=O)[O-]	ZINC001608115859	1170578255	/nfs/dbraw/zinc/57/82/55/1170578255.db2.gz	BBTWISIRMOOTPE-UHFFFAOYSA-N	-1	0	304.306	0.472	20	30		DCEDRM
N#CCC1(CS(=O)(=O)NC2(C(=O)[O-])CCSCC2)CC1	ZINC001608178113	1170610805	/nfs/dbraw/zinc/61/08/05/1170610805.db2.gz	KDRDYFXZQYJBCG-UHFFFAOYSA-N	-1	0	318.420	0.950	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)C(=O)Nc1c(F)cccc1F	ZINC001608184606	1170611332	/nfs/dbraw/zinc/61/13/32/1170611332.db2.gz	YPGHLGFYXGSZLQ-UHFFFAOYSA-N	-1	0	311.244	0.730	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1	ZINC001608188480	1170612342	/nfs/dbraw/zinc/61/23/42/1170612342.db2.gz	GAIJGTGHOIPFLF-YPMHNXCESA-N	-1	0	304.302	0.178	20	30		DCEDRM
N#CCN1CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1	ZINC001608187776	1170612589	/nfs/dbraw/zinc/61/25/89/1170612589.db2.gz	DXQIMGGLDOGBFD-UHFFFAOYSA-N	-1	0	302.334	0.987	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)NCCCNc2ncc(C(=O)[O-])cn2)c1	ZINC001608195533	1170613776	/nfs/dbraw/zinc/61/37/76/1170613776.db2.gz	RSNPCWGVSJJHHB-UHFFFAOYSA-N	-1	0	314.305	0.607	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@@H](C(=O)[O-])c2ccccn2)cc1	ZINC001608202175	1170614626	/nfs/dbraw/zinc/61/46/26/1170614626.db2.gz	MFKZYRNJTQNYPB-ZIAGYGMSSA-N	-1	0	311.297	0.929	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])nc1	ZINC001608210843	1170616200	/nfs/dbraw/zinc/61/62/00/1170616200.db2.gz	TXXZSHKYVUSQRH-ZETCQYMHSA-N	-1	0	305.262	0.340	20	30		DCEDRM
N#Cc1ccc(OC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c(F)c1	ZINC001608209619	1170616032	/nfs/dbraw/zinc/61/60/32/1170616032.db2.gz	VHRQWRWOPLYPAY-JTQLQIEISA-N	-1	0	320.276	0.926	20	30		DCEDRM
N#Cc1cccc(NC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1	ZINC001608217300	1170617359	/nfs/dbraw/zinc/61/73/59/1170617359.db2.gz	XFZPFCZDHNBEFP-LBPRGKRZSA-N	-1	0	316.317	0.755	20	30		DCEDRM
N#Cc1cccc(OCC(=O)NC2(C(=O)[O-])CC(CO)C2)c1	ZINC001608218206	1170617388	/nfs/dbraw/zinc/61/73/88/1170617388.db2.gz	JPQVQAJCHVSZKM-UHFFFAOYSA-N	-1	0	304.302	0.279	20	30		DCEDRM
N#Cc1ccc2ncc(CN3CCC[C@H](O)[C@H]3C(=O)[O-])n2c1	ZINC001608215283	1170617538	/nfs/dbraw/zinc/61/75/38/1170617538.db2.gz	ZYLSGJJFJKKPCT-JSGCOSHPSA-N	-1	0	300.318	0.616	20	30		DCEDRM
N#Cc1cnc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c(Cl)c1	ZINC001608222700	1170618027	/nfs/dbraw/zinc/61/80/27/1170618027.db2.gz	INQQNVKCWCOTPT-UHFFFAOYSA-N	-1	0	306.669	0.604	20	30		DCEDRM
N#Cc1cccc([N+](=O)[O-])c1CN1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC001608220469	1170618408	/nfs/dbraw/zinc/61/84/08/1170618408.db2.gz	CTJQBKPQQLGVMI-LBPRGKRZSA-N	-1	0	318.289	0.242	20	30		DCEDRM
N#Cc1ccccc1C(F)(F)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001608220691	1170618814	/nfs/dbraw/zinc/61/88/14/1170618814.db2.gz	HNENBRPUPQJWRB-UHFFFAOYSA-N	-1	0	323.299	0.879	20	30		DCEDRM
N#Cc1nc(F)ccc1OS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001608224530	1170619228	/nfs/dbraw/zinc/61/92/28/1170619228.db2.gz	UHOUPUGVHPIKAZ-UHFFFAOYSA-N	-1	0	312.238	0.281	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001608225185	1170619711	/nfs/dbraw/zinc/61/97/11/1170619711.db2.gz	QEVWHSIBWSMZQF-GMSGAONNSA-N	-1	0	316.360	0.218	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])n1	ZINC001608225703	1170619722	/nfs/dbraw/zinc/61/97/22/1170619722.db2.gz	YWRIHMHJULVSIG-NSHDSACASA-N	-1	0	305.338	0.690	20	30		DCEDRM
O=C(/C=C\c1ccc(F)cc1)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	ZINC001608287239	1170643031	/nfs/dbraw/zinc/64/30/31/1170643031.db2.gz	IZEIEYWQASTOTL-DNOIWLCKSA-N	-1	0	307.277	0.502	20	30		DCEDRM
C=CCCC[C@@H](C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001609053170	1170793775	/nfs/dbraw/zinc/79/37/75/1170793775.db2.gz	BEAFYGZVGCQSRS-SNVBAGLBSA-N	-1	0	319.373	0.502	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC001609054455	1170795066	/nfs/dbraw/zinc/79/50/66/1170795066.db2.gz	KRRMMZAAPAHQLU-ZWNOBZJWSA-N	-1	0	316.313	0.345	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1c[nH]nc1-c1cnn(CC)c1)C(=O)[O-]	ZINC001609078805	1170801657	/nfs/dbraw/zinc/80/16/57/1170801657.db2.gz	JGKMXEFFFROHOM-LLVKDONJSA-N	-1	0	301.306	0.499	20	30		DCEDRM
C#CCN(CC)C(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC001609152717	1170829187	/nfs/dbraw/zinc/82/91/87/1170829187.db2.gz	BBRBRYFALVCJEE-UHFFFAOYSA-N	-1	0	318.329	0.960	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC001609162107	1170834264	/nfs/dbraw/zinc/83/42/64/1170834264.db2.gz	FKJHKXWOLBLMBF-UHFFFAOYSA-N	-1	0	322.317	0.011	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1	ZINC001609264185	1170903068	/nfs/dbraw/zinc/90/30/68/1170903068.db2.gz	GFKVMCTTXFFWJD-QLFBSQMISA-N	-1	0	323.437	0.938	20	30		DCEDRM
C=C[C@@H](C)NC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001609266962	1170903770	/nfs/dbraw/zinc/90/37/70/1170903770.db2.gz	HBKSHMYFIJPAQP-SSDOTTSWSA-N	-1	0	306.274	0.743	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)C(=O)[O-]	ZINC001609443146	1170979548	/nfs/dbraw/zinc/97/95/48/1170979548.db2.gz	SSHWNQDDJSDYNT-LBPRGKRZSA-N	-1	0	316.317	0.857	20	30		DCEDRM
C[C@H](C#N)CN(CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O)C1CC1	ZINC001609631317	1171055580	/nfs/dbraw/zinc/05/55/80/1171055580.db2.gz	XPNKWOJKCRLWPN-BMIGLBTASA-N	-1	0	322.365	0.743	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC001609725711	1171074947	/nfs/dbraw/zinc/07/49/47/1171074947.db2.gz	NLRDNQQKJJLKIY-ZJUUUORDSA-N	-1	0	321.424	0.357	20	30		DCEDRM
C[C@H](O)C(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC001609787510	1171085080	/nfs/dbraw/zinc/08/50/80/1171085080.db2.gz	DHNTZEYXYJWSAV-SMDDNHRTSA-N	-1	0	317.345	0.209	20	30		DCEDRM
C[C@H](OC(=O)c1ccc(C(=O)[O-])nc1)C(=O)N(C)CCC#N	ZINC001609798016	1171089303	/nfs/dbraw/zinc/08/93/03/1171089303.db2.gz	KLHMSDIZFFSEJC-VIFPVBQESA-N	-1	0	305.290	0.697	20	30		DCEDRM
COC[C@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)[O-]	ZINC001610251350	1171207579	/nfs/dbraw/zinc/20/75/79/1171207579.db2.gz	VRHUMGGGFGHOTJ-LBPRGKRZSA-N	-1	0	312.347	0.272	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1	ZINC001610433574	1171235168	/nfs/dbraw/zinc/23/51/68/1171235168.db2.gz	ZRJXOJDDWFMFGK-ZWNOBZJWSA-N	-1	0	315.329	0.984	20	30		DCEDRM
Cc1cc(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)nn1CCC#N	ZINC001610472861	1171240840	/nfs/dbraw/zinc/24/08/40/1171240840.db2.gz	SYSSDKWYINKQSL-WDEREUQCSA-N	-1	0	321.337	0.405	20	30		DCEDRM
Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1ccc(C#N)o1	ZINC001610569979	1171257425	/nfs/dbraw/zinc/25/74/25/1171257425.db2.gz	HPKUCQJNDJHAFJ-UHFFFAOYSA-N	-1	0	302.290	0.979	20	30		DCEDRM
N#C[C@@]1(F)CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1	ZINC001610620318	1171270342	/nfs/dbraw/zinc/27/03/42/1171270342.db2.gz	KWNITJAWCHYRPH-VIFPVBQESA-N	-1	0	305.312	0.468	20	30		DCEDRM
N#Cc1ncn(CC(=O)NCC2(CC(=O)[O-])CCCCC2)n1	ZINC001610636258	1171275127	/nfs/dbraw/zinc/27/51/27/1171275127.db2.gz	JTNQXUOTNJCURU-UHFFFAOYSA-N	-1	0	305.338	0.691	20	30		DCEDRM
NS(=O)(=O)c1ccccc1NN=Cc1cc(C(=O)[O-])no1	ZINC001610647029	1171280750	/nfs/dbraw/zinc/28/07/50/1171280750.db2.gz	HNEVXXCHQNMCRH-UHFFFAOYSA-N	-1	0	310.291	0.466	20	30		DCEDRM
NS(=O)(=O)c1ccc(NN=Cc2cc(C(=O)[O-])no2)cc1	ZINC001610646235	1171281053	/nfs/dbraw/zinc/28/10/53/1171281053.db2.gz	ALSPVIYXDRSYQI-UHFFFAOYSA-N	-1	0	310.291	0.466	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)c1	ZINC001635511017	1171705988	/nfs/dbraw/zinc/70/59/88/1171705988.db2.gz	RLIVMLPUDQLPJL-LBPRGKRZSA-N	-1	0	313.317	0.910	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCc1nncn1C	ZINC001637377387	1171765093	/nfs/dbraw/zinc/76/50/93/1171765093.db2.gz	FGMSCIJVHKPKKF-UHFFFAOYSA-N	-1	0	300.322	0.458	20	30		DCEDRM
C#Cc1cncc(C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)c1	ZINC001637646207	1171772911	/nfs/dbraw/zinc/77/29/11/1171772911.db2.gz	AAYWVZZBLAAMMC-UHFFFAOYSA-N	-1	0	317.326	0.668	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cc(F)cnc2Cl)c(C#N)c1=O	ZINC001639979589	1171859530	/nfs/dbraw/zinc/85/95/30/1171859530.db2.gz	LJJQGKWZQPDNJQ-UHFFFAOYSA-N	-1	0	309.688	0.745	20	30		DCEDRM
C=CCO[N-]C(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O	ZINC001640825422	1171895282	/nfs/dbraw/zinc/89/52/82/1171895282.db2.gz	SZICCCYANGWGBU-SCZZXKLOSA-N	-1	0	320.392	0.010	20	30		DCEDRM
N#Cc1nc(NC(=O)CSc2cccc[n+]2[O-])[n-]c1C#N	ZINC001643939783	1171992275	/nfs/dbraw/zinc/99/22/75/1171992275.db2.gz	ZKUIZOIXMCXCJS-UHFFFAOYSA-N	-1	0	300.303	0.517	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)c2ncn(C)n2)n1	ZINC001645792461	1172144292	/nfs/dbraw/zinc/14/42/92/1172144292.db2.gz	ZZPUJUCRWGVCSR-MRVPVSSYSA-N	-1	0	305.319	0.613	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@@H](C3CCOCC3)C2)c(C#N)c1=O	ZINC001646636207	1172451291	/nfs/dbraw/zinc/45/12/91/1172451291.db2.gz	JERZGLVWLADZHM-GFCCVEGCSA-N	-1	0	318.377	0.588	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)CCc2nnc[nH]2)n1	ZINC001647109273	1172678848	/nfs/dbraw/zinc/67/88/48/1172678848.db2.gz	SULAILYSMJUPSI-SECBINFHSA-N	-1	0	319.346	0.922	20	30		DCEDRM
CS(=O)(=O)Cc1noc([N-]C(=O)c2sccc2C#N)n1	ZINC001647127599	1172691374	/nfs/dbraw/zinc/69/13/74/1172691374.db2.gz	GZFGDDGLKMUSCX-UHFFFAOYSA-N	-1	0	312.332	0.800	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@](C)(C(F)(F)F)C2)c(C#N)c1=O	ZINC001647630492	1173007254	/nfs/dbraw/zinc/00/72/54/1173007254.db2.gz	FVQMTKOCPSXMDN-NSHDSACASA-N	-1	0	302.256	0.724	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@H](O)[C@H]2CCCO2)cc1C#N	ZINC001649927536	1173313901	/nfs/dbraw/zinc/31/39/01/1173313901.db2.gz	MJNCWGNCFZFHQY-WDEREUQCSA-N	-1	0	323.374	0.650	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](C2CCC2)[C@H]2CCCO2)c(C#N)c1=O	ZINC001650230478	1173525385	/nfs/dbraw/zinc/52/53/85/1173525385.db2.gz	BTZHNYWSLPGTSV-NEPJUHHUSA-N	-1	0	304.350	0.705	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2cccc(-n3ccnc3)c2)c(C#N)c1=O	ZINC001650772253	1173732186	/nfs/dbraw/zinc/73/21/86/1173732186.db2.gz	PXHQXFSGDIHRML-UHFFFAOYSA-N	-1	0	309.285	0.923	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)NCC(=O)[N-]OC)cc1	ZINC001658516677	1173923838	/nfs/dbraw/zinc/92/38/38/1173923838.db2.gz	WTYUVDHXBASCNE-UHFFFAOYSA-N	-1	0	306.322	0.402	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)CCOC(C)(C)C)C(=O)OC	ZINC001663037882	1174260164	/nfs/dbraw/zinc/26/01/64/1174260164.db2.gz	QJENFWGMEUUEHV-NSHDSACASA-N	-1	0	323.411	0.465	20	30		DCEDRM
C#CCCCCC(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001677554940	1175580122	/nfs/dbraw/zinc/58/01/22/1175580122.db2.gz	XRGAYXJSMLRCMS-UHFFFAOYSA-N	-1	0	317.393	0.952	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001678167264	1175631003	/nfs/dbraw/zinc/63/10/03/1175631003.db2.gz	MBUNPXNOCCIKPC-GXSJLCMTSA-N	-1	0	322.365	0.039	20	30		DCEDRM
C=CCCOCC(=O)NCC1(NC(=O)c2cn[nH]n2)CCCC1	ZINC001688794772	1176621080	/nfs/dbraw/zinc/62/10/80/1176621080.db2.gz	WHQPLOQEGBSDKA-UHFFFAOYSA-N	-1	0	321.381	0.556	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001692287932	1177474598	/nfs/dbraw/zinc/47/45/98/1177474598.db2.gz	CPNJPHAKWGPVLU-SNVBAGLBSA-N	-1	0	309.370	0.040	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001701183706	1178949439	/nfs/dbraw/zinc/94/94/39/1178949439.db2.gz	ODOUIPOXGKNMHA-VFZGTOFNSA-N	-1	0	324.381	0.328	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001705199169	1180293905	/nfs/dbraw/zinc/29/39/05/1180293905.db2.gz	DNDCRYAUYNZEHS-WDEREUQCSA-N	-1	0	322.365	0.346	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001713707758	1181024097	/nfs/dbraw/zinc/02/40/97/1181024097.db2.gz	BGXWTTWCPPQXDX-RWSFTLGLSA-N	-1	0	321.381	0.013	20	30		DCEDRM
C[C@H](NC(=O)C#CC1CC1)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001714152171	1181265297	/nfs/dbraw/zinc/26/52/97/1181265297.db2.gz	UJGZVEIRLUXZLP-AAEUAGOBSA-N	-1	0	317.393	0.640	20	30		DCEDRM
N#CCNC[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CC1	ZINC001716627149	1182470394	/nfs/dbraw/zinc/47/03/94/1182470394.db2.gz	MXDVBMGYWQDMEX-JTQLQIEISA-N	-1	0	301.306	0.550	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001718757346	1183346356	/nfs/dbraw/zinc/34/63/56/1183346356.db2.gz	YCSJOIJZVUZTDP-JTQLQIEISA-N	-1	0	324.381	0.185	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)C#CC2CC2)c1[O-]	ZINC001722014394	1184139350	/nfs/dbraw/zinc/13/93/50/1184139350.db2.gz	ZORYNTBIUQHKRZ-NSHDSACASA-N	-1	0	302.334	0.168	20	30		DCEDRM
C=CCOCC(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001735179131	1186816465	/nfs/dbraw/zinc/81/64/65/1186816465.db2.gz	FNXZCWLGPZXHFX-VIFPVBQESA-N	-1	0	310.354	0.203	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCCCCNC(=O)[C@@H](C)C#N)c1[O-]	ZINC001736990706	1187206374	/nfs/dbraw/zinc/20/63/74/1187206374.db2.gz	FSGDRPHMGKVQGR-JTQLQIEISA-N	-1	0	321.381	0.990	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001738877302	1187681763	/nfs/dbraw/zinc/68/17/63/1187681763.db2.gz	WPCMICBUAGZEQR-SNVBAGLBSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N1CC(CCO)(NC(=O)c2cn[nH]n2)C1	ZINC001756084631	1189292156	/nfs/dbraw/zinc/29/21/56/1189292156.db2.gz	CNUVCUDDUCBFKW-AWEZNQCLSA-N	-1	0	321.381	0.100	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)CCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001758359762	1189851031	/nfs/dbraw/zinc/85/10/31/1189851031.db2.gz	WQMPVLJEDRJVQA-HNNXBMFYSA-N	-1	0	324.381	0.329	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](CNC(=O)C#CC(C)C)C2CC2)c1[O-]	ZINC001758609844	1189937567	/nfs/dbraw/zinc/93/75/67/1189937567.db2.gz	OBZFRVLKAXYDMJ-GFCCVEGCSA-N	-1	0	318.377	0.708	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N(C)CCNC(C)=O)cc1C#N	ZINC001771752749	1190489593	/nfs/dbraw/zinc/48/95/93/1190489593.db2.gz	LTOBYXVMTVVWPF-UHFFFAOYSA-N	-1	0	308.363	0.589	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1C#N)[C@@H]1CCOC1	ZINC001771780243	1190496399	/nfs/dbraw/zinc/49/63/99/1190496399.db2.gz	UMLVSHHNBMSWQB-YPMHNXCESA-N	-1	0	324.358	0.415	20	30		DCEDRM
CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc(C#N)c(OC)c1	ZINC001771780461	1190497034	/nfs/dbraw/zinc/49/70/34/1190497034.db2.gz	XSQKKLZFGCRIPT-UHFFFAOYSA-N	-1	0	311.363	0.883	20	30		DCEDRM
CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC001771821020	1190513875	/nfs/dbraw/zinc/51/38/75/1190513875.db2.gz	RWFJOXMSMPRFSG-LLVKDONJSA-N	-1	0	317.411	0.533	20	30		DCEDRM
C[C@@H]1CO[C@H](C(F)(F)F)CN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001772117953	1190611302	/nfs/dbraw/zinc/61/13/02/1190611302.db2.gz	UEAUKYDKCUKJRL-SVRRBLITSA-N	-1	0	318.255	0.101	20	30		DCEDRM
C[C@@]1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC=CCC1	ZINC001167526709	747355070	/nfs/dbraw/zinc/35/50/70/747355070.db2.gz	BRDQHKRCSAYGIS-OAHLLOKOSA-N	-1	0	302.334	0.683	20	30		DCEDRM
CCN(CCNC(=O)c1cnc[nH]c1=O)c1ccncc1C#N	ZINC001100657422	747536800	/nfs/dbraw/zinc/53/68/00/747536800.db2.gz	QSMJLMZKYUPGJQ-UHFFFAOYSA-N	-1	0	312.333	0.705	20	30		DCEDRM
COC(=O)CC(CC(=O)OC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008804	748773594	/nfs/dbraw/zinc/77/35/94/748773594.db2.gz	MNUIVUCZLIKXQB-UHFFFAOYSA-N	-1	0	312.253	0.672	20	30		DCEDRM
COc1ccnc(C(=N)Nc2cccc(S(=O)(=O)[O-])c2)n1	ZINC001168427829	750814550	/nfs/dbraw/zinc/81/45/50/750814550.db2.gz	IDTXOAZTWWUDKJ-UHFFFAOYSA-N	-1	0	308.319	0.769	20	30		DCEDRM
C=CCCC(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001107801988	752347137	/nfs/dbraw/zinc/34/71/37/752347137.db2.gz	GGLTULXVMFLGBS-AWEZNQCLSA-N	-1	0	309.370	0.184	20	30		DCEDRM
C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001071788184	762137577	/nfs/dbraw/zinc/13/75/77/762137577.db2.gz	VOFMRXPKJGVUJF-GXSJLCMTSA-N	-1	0	306.366	0.967	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)N(C)c2nccnc2C#N)c1[O-]	ZINC001113551480	762380519	/nfs/dbraw/zinc/38/05/19/762380519.db2.gz	IYNSFAOGTQBSSO-QMMMGPOBSA-N	-1	0	315.337	0.340	20	30		DCEDRM
C=CCCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])CCO1	ZINC001065048829	755660118	/nfs/dbraw/zinc/66/01/18/755660118.db2.gz	SGPAOCMGUQWIEG-LLVKDONJSA-N	-1	0	322.365	0.347	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001053374065	756022520	/nfs/dbraw/zinc/02/25/20/756022520.db2.gz	VJZLVGNFJXSCMI-UHFFFAOYSA-N	-1	0	321.381	0.136	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCCC[C@H]2CNC(=O)[C@H](C)C#N)c1[O-]	ZINC001082006189	756897650	/nfs/dbraw/zinc/89/76/50/756897650.db2.gz	FODOYAPSROVZKB-KOLCDFICSA-N	-1	0	319.365	0.694	20	30		DCEDRM
C=CC[C@H](NC(=O)NC[C@@]1(OC(C)C)CCOC1)C(=O)[O-]	ZINC001119559681	757999207	/nfs/dbraw/zinc/99/92/07/757999207.db2.gz	MYDMYLPHUUBLFX-FZMZJTMJSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1	ZINC001084906897	758116045	/nfs/dbraw/zinc/11/60/45/758116045.db2.gz	LSRJRKVZJQXWOU-AXFHLTTASA-N	-1	0	304.354	0.093	20	30		DCEDRM
Cc1nnc2ccc(C([O-])=C(C#N)C(=O)c3nccn3C)cn12	ZINC001122714348	767862105	/nfs/dbraw/zinc/86/21/05/767862105.db2.gz	KCCIOXICVGGARX-NSHDSACASA-N	-1	0	308.301	0.977	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)c2ccc(C#N)nc2)c1[O-]	ZINC001108901786	761129944	/nfs/dbraw/zinc/12/99/44/761129944.db2.gz	RTYSWWZGDZCSQV-VIFPVBQESA-N	-1	0	314.349	0.945	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@H](C)Nc2ccnc(C#N)n2)c1[O-]	ZINC001098985241	762772082	/nfs/dbraw/zinc/77/20/82/762772082.db2.gz	SRHOGJMPESQBQZ-QMMMGPOBSA-N	-1	0	315.337	0.128	20	30		DCEDRM
C[C@H]1CC[C@H](NC(=O)C#CC2CC2)CN1Cc1n[nH]c(=O)[n-]1	ZINC001132045552	764221402	/nfs/dbraw/zinc/22/14/02/764221402.db2.gz	GRTFEKYWZXYMKB-JQWIXIFHSA-N	-1	0	303.366	0.393	20	30		DCEDRM
Cc1cc([O-])cc2c1C(=O)C(=NNc1nccn(C)c1=O)O2	ZINC001116194067	765848531	/nfs/dbraw/zinc/84/85/31/765848531.db2.gz	IMBJQNVVVBWJSZ-UHFFFAOYSA-N	-1	0	300.274	0.795	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)cc1	ZINC001117218778	766004891	/nfs/dbraw/zinc/00/48/91/766004891.db2.gz	NQIAJPGPUFKRDE-ZDUSSCGKSA-N	-1	0	303.318	0.259	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)C(=O)[N-]OCCOC	ZINC001117294669	766014051	/nfs/dbraw/zinc/01/40/51/766014051.db2.gz	XEIUMVDTFBHSED-UHFFFAOYSA-N	-1	0	306.318	0.009	20	30		DCEDRM
C[C@@H](C[C@H](C)NC(=O)c1ccc2oc(=O)nc-2[n-]1)NCC#N	ZINC001135934233	766175522	/nfs/dbraw/zinc/17/55/22/766175522.db2.gz	FHRRNQOXLBXFTB-IUCAKERBSA-N	-1	0	303.322	0.938	20	30		DCEDRM
C=CC[C@H](NC(=O)NCC1(COC)CCOCC1)C(=O)[O-]	ZINC001119577673	766737020	/nfs/dbraw/zinc/73/70/20/766737020.db2.gz	LQTNILJYYIQMAC-NSHDSACASA-N	-1	0	300.355	0.758	20	30		DCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2c3c(nn2C)CCOC3)C(=O)O1	ZINC001120077693	766895668	/nfs/dbraw/zinc/89/56/68/766895668.db2.gz	AFBBRABNOHAEBU-BWPKMQGJSA-N	-1	0	316.313	0.721	20	30		DCEDRM
CCc1ccc([C@@H](C#N)NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1	ZINC001141621281	768586072	/nfs/dbraw/zinc/58/60/72/768586072.db2.gz	ZTJKVBCBXIHRNB-LLVKDONJSA-N	-1	0	301.306	0.633	20	30		DCEDRM
COC(=O)C[C@H](C#N)c1ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc1	ZINC001230993774	769149270	/nfs/dbraw/zinc/14/92/70/769149270.db2.gz	CLMBIJASPNHZEE-PWSUYJOCSA-N	-1	0	321.285	0.598	20	30		DCEDRM
CCOCCOC1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001152672591	769621303	/nfs/dbraw/zinc/62/13/03/769621303.db2.gz	XYNMPSDRFUOHIS-UHFFFAOYSA-N	-1	0	305.334	0.845	20	30		DCEDRM
COC(=O)C1=NC(C(=O)OC)C([O-])=C1O[C@@H]1CCN(CC#N)C1	ZINC001234355633	769633381	/nfs/dbraw/zinc/63/33/81/769633381.db2.gz	RXTNVAUQEFWGRG-MRVPVSSYSA-N	-1	0	323.305	0.270	20	30		DCEDRM
CCOC(=O)[C@H](C#N)NC(=O)CSc1n[n-]c(=S)s1	ZINC001177346096	770415327	/nfs/dbraw/zinc/41/53/27/770415327.db2.gz	OZXVHZMHEOUOGG-YFKPBYRVSA-N	-1	0	318.405	0.490	20	30		DCEDRM
N#CC1(NC(=O)Cn2nn[n-]c2=S)Cc2ccccc2C1	ZINC001177745850	770542715	/nfs/dbraw/zinc/54/27/15/770542715.db2.gz	HLSRRQKHUAWVEC-UHFFFAOYSA-N	-1	0	300.347	0.139	20	30		DCEDRM
C=CCCOCC(=O)NC[C@@H](C)N(CC)Cc1n[nH]c(=O)[n-]1	ZINC001157209819	771556825	/nfs/dbraw/zinc/55/68/25/771556825.db2.gz	LRKKVTOJNUHMAE-LLVKDONJSA-N	-1	0	311.386	0.430	20	30		DCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2cnc(Cl)nc2)c(C#C)n1	ZINC001185004242	771850628	/nfs/dbraw/zinc/85/06/28/771850628.db2.gz	LVRJTXFQJCSPKO-UHFFFAOYSA-N	-1	0	319.733	0.683	20	30		DCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)Cc1cc(F)cc(F)c1	ZINC001185170759	771873629	/nfs/dbraw/zinc/87/36/29/771873629.db2.gz	UGNWBJBNJLVSIG-NSHDSACASA-N	-1	0	318.301	0.839	20	30		DCEDRM
COc1ccc(S(=O)(=O)N2CC(C)(C#N)C2)cc1C(=O)[O-]	ZINC001185272018	771898663	/nfs/dbraw/zinc/89/86/63/771898663.db2.gz	SVEJPVQIPJLERW-UHFFFAOYSA-N	-1	0	310.331	0.928	20	30		DCEDRM
C=CCC(F)(F)C(=O)Nc1n[n-]c(OCCO)c1C(=O)OC	ZINC001161533702	772240512	/nfs/dbraw/zinc/24/05/12/772240512.db2.gz	OJUSCEGLTQWAJS-UHFFFAOYSA-N	-1	0	319.264	0.717	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)Nc2cccnc2Cl)c1=O	ZINC001189567354	772499424	/nfs/dbraw/zinc/49/94/24/772499424.db2.gz	QJGJREICGVUOBI-UHFFFAOYSA-N	-1	0	305.681	0.095	20	30		DCEDRM
COc1nc(S(=O)(=O)[N-]c2ncn(C)c2C#N)ccc1F	ZINC001190066920	772575706	/nfs/dbraw/zinc/57/57/06/772575706.db2.gz	VEVPHUYFIZBXGV-UHFFFAOYSA-N	-1	0	311.298	0.635	20	30		DCEDRM
COc1cc([O-])c(C(=O)n2nc(N)c(C#N)c2N)c(OC)c1	ZINC001190110785	772591743	/nfs/dbraw/zinc/59/17/43/772591743.db2.gz	XQBSYGMWJSJYDU-UHFFFAOYSA-N	-1	0	303.278	0.330	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)[N-]c2nccnc2C(N)=O)c1	ZINC001190617564	772646330	/nfs/dbraw/zinc/64/63/30/772646330.db2.gz	NGXZAGRAQLUOGF-UHFFFAOYSA-N	-1	0	321.293	0.387	20	30		DCEDRM
C#C[C@@H](CO)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	ZINC001190716046	772661140	/nfs/dbraw/zinc/66/11/40/772661140.db2.gz	PETIKCGBBUYOHF-BYPYZUCNSA-N	-1	0	315.219	0.655	20	30		DCEDRM
N#Cc1nc(Cl)c([N-]S(=O)(=O)c2ncc[nH]2)nc1C#N	ZINC001190690228	772665429	/nfs/dbraw/zinc/66/54/29/772665429.db2.gz	KTVIHGCAXXCEHJ-UHFFFAOYSA-N	-1	0	309.698	0.397	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190728106	772670034	/nfs/dbraw/zinc/67/00/34/772670034.db2.gz	CAMYYYYZUPZZBU-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(C(=O)OCC)C(=O)OCC)CC1	ZINC001190824364	772682223	/nfs/dbraw/zinc/68/22/23/772682223.db2.gz	NXCRQBNPVFWYKV-UHFFFAOYSA-N	-1	0	319.379	0.509	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1	ZINC001191868687	772836597	/nfs/dbraw/zinc/83/65/97/772836597.db2.gz	XXYDOBDGGHJRFR-STQMWFEESA-N	-1	0	321.425	0.743	20	30		DCEDRM
CC1(C#N)CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1	ZINC001192682970	772947372	/nfs/dbraw/zinc/94/73/72/772947372.db2.gz	ICFKVNUNNFNSND-UHFFFAOYSA-N	-1	0	310.331	0.684	20	30		DCEDRM
N#CCS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1	ZINC001192996654	772986543	/nfs/dbraw/zinc/98/65/43/772986543.db2.gz	XFYUPRXYCRKSOF-AWEZNQCLSA-N	-1	0	321.402	0.663	20	30		DCEDRM
CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)CC#N)=CC1=O	ZINC001193004978	772987678	/nfs/dbraw/zinc/98/76/78/772987678.db2.gz	HZUSTDRTBDTARC-UHFFFAOYSA-N	-1	0	315.351	0.481	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2nc(C#N)c(C#N)nc2N)c([O-])c1	ZINC001195733386	773463110	/nfs/dbraw/zinc/46/31/10/773463110.db2.gz	NAZBTMVUFMMEAW-UHFFFAOYSA-N	-1	0	305.257	0.632	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1nc(Cl)ccc1C#N	ZINC001195938971	773498135	/nfs/dbraw/zinc/49/81/35/773498135.db2.gz	JIJGVYVZYVADNV-UHFFFAOYSA-N	-1	0	303.727	0.911	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1ncc(C#N)cc1Cl	ZINC001195934063	773505736	/nfs/dbraw/zinc/50/57/36/773505736.db2.gz	LPGKBLDWYPWZQL-UHFFFAOYSA-N	-1	0	303.727	0.911	20	30		DCEDRM
CCOc1ccc(C(=O)[O-])cc1N=C(NO)c1nonc1N	ZINC001214267408	773949762	/nfs/dbraw/zinc/94/97/62/773949762.db2.gz	MIJFVWSNMIQGDZ-UHFFFAOYSA-N	-1	0	307.266	0.806	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]c2nccnc2C(N)=O)cc1C#N	ZINC001201295322	774483964	/nfs/dbraw/zinc/48/39/64/774483964.db2.gz	PUMLGHQNPZWHPE-UHFFFAOYSA-N	-1	0	317.330	0.556	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCCOCCOC	ZINC001224895161	775616780	/nfs/dbraw/zinc/61/67/80/775616780.db2.gz	DDPZZXCWYCBYJB-GFCCVEGCSA-N	-1	0	312.384	0.515	20	30		DCEDRM
C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1nncc(=O)[n-]1	ZINC001226168254	775775630	/nfs/dbraw/zinc/77/56/30/775775630.db2.gz	RQYYZSZLDCAIEL-VIFPVBQESA-N	-1	0	309.278	0.173	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(=O)[nH]c(C)n1	ZINC001226509704	775829277	/nfs/dbraw/zinc/82/92/77/775829277.db2.gz	BXVKMMGLXWUTGG-SECBINFHSA-N	-1	0	304.324	0.328	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](Oc2c([O-])c(=O)c2=O)C[C@H]1C#N	ZINC001226605649	775844549	/nfs/dbraw/zinc/84/45/49/775844549.db2.gz	JHWHSWRGELDZMY-JGVFFNPUSA-N	-1	0	308.290	0.269	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C)nc(=S)[nH]1	ZINC001226798802	775878043	/nfs/dbraw/zinc/87/80/43/775878043.db2.gz	LJXKWZVHRUGAEG-VIFPVBQESA-N	-1	0	320.392	0.912	20	30		DCEDRM
N#CCN1CC[C@H](Oc2[n-]c(=O)nnc2Br)C1	ZINC001227063763	775920673	/nfs/dbraw/zinc/92/06/73/775920673.db2.gz	IQUUFRIKEDAOFQ-LURJTMIESA-N	-1	0	300.116	0.316	20	30		DCEDRM
C[C@H]1OCc2c1[n-]c(=O)nc2O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)N2C	ZINC001227717564	776001397	/nfs/dbraw/zinc/00/13/97/776001397.db2.gz	YTOSOOOWIGMGFG-RAJZJYDJSA-N	-1	0	305.334	0.765	20	30		DCEDRM
C=C[C@@H]1O[C@@H](Oc2[nH]c(=O)[n-]c(=O)c2F)[C@H]2OC(C)(C)O[C@@H]12	ZINC001229123617	776161640	/nfs/dbraw/zinc/16/16/40/776161640.db2.gz	FXROGIJBDFHHMA-RYVZHVEOSA-N	-1	0	314.269	0.837	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)CCc1scnc1C)C(=O)[O-]	ZINC001588423428	1166019075	/nfs/dbraw/zinc/01/90/75/1166019075.db2.gz	GRRHGSBVVWIUHG-VIFPVBQESA-N	-1	0	302.377	0.390	20	30		DCEDRM
C=C[C@@H](NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CCOCC1	ZINC001465117339	804172319	/nfs/dbraw/zinc/17/23/19/804172319.db2.gz	YXQXWAHSQQNKLU-UTUOFQBUSA-N	-1	0	303.380	0.750	20	30		DCEDRM
C[C@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)C(F)(F)F	ZINC001589793830	1166687718	/nfs/dbraw/zinc/68/77/18/1166687718.db2.gz	BWXCKUGTTCZQHB-SCSAIBSYSA-N	-1	0	314.231	0.988	20	30		DCEDRM
Cc1nsc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1C#N	ZINC001600819617	1168474758	/nfs/dbraw/zinc/47/47/58/1168474758.db2.gz	GAAUTAIOWOADKI-YUMQZZPRSA-N	-1	0	310.335	0.623	20	30		DCEDRM
N#Cc1cnc(N2CCC[C@H]2C(=O)NCC(=O)[O-])c(Cl)c1	ZINC001601130738	1168591757	/nfs/dbraw/zinc/59/17/57/1168591757.db2.gz	UQWUSOVWLUHMJE-JTQLQIEISA-N	-1	0	308.725	0.776	20	30		DCEDRM
C=CCCc1ccc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])cc1	ZINC001602881212	1169198256	/nfs/dbraw/zinc/19/82/56/1169198256.db2.gz	WDSOXJLXNZXMTI-AWEZNQCLSA-N	-1	0	313.375	0.919	20	30		DCEDRM
C=C(C)CCC(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC001268310331	940049430	/nfs/dbraw/zinc/04/94/30/940049430.db2.gz	GYAUDVSIFUQCOL-UHFFFAOYSA-N	-1	0	315.377	0.679	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)C#CC2CC2)c1[O-]	ZINC001486842356	945330518	/nfs/dbraw/zinc/33/05/18/945330518.db2.gz	PAHZGOZCMTYTJE-SECBINFHSA-N	-1	0	304.350	0.414	20	30		DCEDRM
C=CCCCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001270675239	940963725	/nfs/dbraw/zinc/96/37/25/940963725.db2.gz	YYPFXDXTHBKHKW-LLVKDONJSA-N	-1	0	309.370	0.184	20	30		DCEDRM
N#C[C@@]1(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CCCOC1	ZINC001412849490	942106827	/nfs/dbraw/zinc/10/68/27/942106827.db2.gz	DPYWCSKYPTYAKK-JTQLQIEISA-N	-1	0	303.244	0.760	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2C[C@H]2c2ccco2)c(=O)[n-]c1=O	ZINC001413310119	942619586	/nfs/dbraw/zinc/61/95/86/942619586.db2.gz	SXJRISGNGVMHBY-GHMZBOCLSA-N	-1	0	314.301	0.333	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cccc(O)c2F)c(=O)[n-]c1=O	ZINC001413310049	942619759	/nfs/dbraw/zinc/61/97/59/942619759.db2.gz	RVDCRFDVDMNVCS-UHFFFAOYSA-N	-1	0	318.264	0.095	20	30		DCEDRM
N#C[C@H]1CN(C(=O)COCC(=O)[O-])CCN1Cc1ccccc1	ZINC001601061196	970926345	/nfs/dbraw/zinc/92/63/45/970926345.db2.gz	UKUYOSZHVMWSQR-AWEZNQCLSA-N	-1	0	317.345	0.324	20	30		DCEDRM
C[C@@H](CC(=O)N(CC#N)CCC(=O)[O-])NC(=O)C1CCCC1	ZINC001604065571	1169484270	/nfs/dbraw/zinc/48/42/70/1169484270.db2.gz	XPYUVZJEYVINHF-NSHDSACASA-N	-1	0	309.366	0.898	20	30		DCEDRM
CC#CCCCC(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001484599871	943468099	/nfs/dbraw/zinc/46/80/99/943468099.db2.gz	LRCNVFSLOMVGNG-GFCCVEGCSA-N	-1	0	321.381	0.021	20	30		DCEDRM
N#Cc1ccc(C(=O)N2C[C@H]3C[C@@H](CC(N)=O)O[C@H]3C2)c([O-])c1	ZINC001276865061	944333646	/nfs/dbraw/zinc/33/36/46/944333646.db2.gz	PMVHFRHJFHKDPF-SUNKGSAMSA-N	-1	0	315.329	0.369	20	30		DCEDRM
C#CCN(CCNC(=O)c1ccc2oc(=O)nc-2[n-]1)CCOC	ZINC001486433295	944885191	/nfs/dbraw/zinc/88/51/91/944885191.db2.gz	WTKPKDKDWHXNQS-UHFFFAOYSA-N	-1	0	318.333	0.240	20	30		DCEDRM
COC(=O)c1sc([N-]S(=O)(=O)N(C)C)c(C#N)c1C	ZINC001251051410	945731747	/nfs/dbraw/zinc/73/17/47/945731747.db2.gz	KBPQOPOILZFDNL-UHFFFAOYSA-N	-1	0	303.365	0.933	20	30		DCEDRM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NCCCC#N	ZINC001320353742	945833976	/nfs/dbraw/zinc/83/39/76/945833976.db2.gz	UHHWWALJIBFQNP-UHFFFAOYSA-N	-1	0	312.333	0.910	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCN2CC=CC2)c(F)c1	ZINC001252869254	946019040	/nfs/dbraw/zinc/01/90/40/946019040.db2.gz	QLPYFEPQVSYCIE-UHFFFAOYSA-N	-1	0	313.329	0.987	20	30		DCEDRM
C=CC[C@H](NC(=O)c1nn(C)c(=O)c2ccccc21)C(=O)[O-]	ZINC001321338118	946282348	/nfs/dbraw/zinc/28/23/48/946282348.db2.gz	FVZRAFMYGOLZQR-NSHDSACASA-N	-1	0	301.302	0.693	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC001602672336	971237240	/nfs/dbraw/zinc/23/72/40/971237240.db2.gz	KUFAYJYKSQTNFG-JHJVBQTASA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#C[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ccccc1	ZINC001602673494	971240315	/nfs/dbraw/zinc/24/03/15/971240315.db2.gz	VDBXGKUPEUUPEL-KGLIPLIRSA-N	-1	0	314.341	0.800	20	30		DCEDRM
C#CC1CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CC1	ZINC001602675437	971248967	/nfs/dbraw/zinc/24/89/67/971248967.db2.gz	VUXHUGRHNBXXLG-UHFFFAOYSA-N	-1	0	320.389	0.962	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-]	ZINC001256551949	946641874	/nfs/dbraw/zinc/64/18/74/946641874.db2.gz	YKPQWRKWVFFZJF-WCQYABFASA-N	-1	0	317.345	0.576	20	30		DCEDRM
C=CC[C@H](NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C(=O)[O-]	ZINC001256549808	946642145	/nfs/dbraw/zinc/64/21/45/946642145.db2.gz	CMEXNYGKNNEUEZ-JTQLQIEISA-N	-1	0	310.310	0.944	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnc2c(c1)CCCC2	ZINC001602679429	971259991	/nfs/dbraw/zinc/25/99/91/971259991.db2.gz	PYCARGMMPOZZQO-UHFFFAOYSA-N	-1	0	315.329	0.445	20	30		DCEDRM
C#CCN(CC(=O)N(OC)[C@@H](C)C(=O)[O-])C(=O)OC(C)(C)C	ZINC001602679639	971261172	/nfs/dbraw/zinc/26/11/72/971261172.db2.gz	VBLHYYWTKXUZEW-JTQLQIEISA-N	-1	0	314.338	0.720	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O)C(=O)[O-]	ZINC001322601329	946741400	/nfs/dbraw/zinc/74/14/00/946741400.db2.gz	PYDWZHCHTDZOGR-GHMZBOCLSA-N	-1	0	318.395	0.192	20	30		DCEDRM
C=CC[C@H](NC(=O)CCNC(=O)Cc1ccccc1)C(=O)[O-]	ZINC001322600815	946741561	/nfs/dbraw/zinc/74/15/61/946741561.db2.gz	IRYBUKQCZGTRGG-ZDUSSCGKSA-N	-1	0	304.346	0.881	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1	ZINC001602683966	971277426	/nfs/dbraw/zinc/27/74/26/971277426.db2.gz	MZRJIDMFQPAAEQ-UPJWGTAASA-N	-1	0	311.382	0.214	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(C[S@@](C)=O)cc1	ZINC001602686052	971285219	/nfs/dbraw/zinc/28/52/19/971285219.db2.gz	PGVAECCQZQVGNP-JOCHJYFZSA-N	-1	0	322.386	0.795	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(OC)nc1OC	ZINC001602686166	971286345	/nfs/dbraw/zinc/28/63/45/971286345.db2.gz	SSYUCICTEVJNON-UHFFFAOYSA-N	-1	0	307.306	0.328	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(OC)cc1	ZINC001259902952	947011508	/nfs/dbraw/zinc/01/15/08/947011508.db2.gz	DRSZBCWRNRVVBZ-GFCCVEGCSA-N	-1	0	312.347	0.570	20	30		DCEDRM
C=CCS(=O)(=O)Nc1ccc(S(=O)(=O)CCCO)cc1	ZINC001259931693	947024520	/nfs/dbraw/zinc/02/45/20/947024520.db2.gz	XEYSJJHLSAMPKB-UHFFFAOYSA-N	-1	0	319.404	0.770	20	30		DCEDRM
C#Cc1nc(Br)cnc1[N-]S(=O)(=O)CCOC	ZINC001259965762	947038932	/nfs/dbraw/zinc/03/89/32/947038932.db2.gz	MORATXKACNPSOE-UHFFFAOYSA-N	-1	0	320.168	0.609	20	30		DCEDRM
CC#CCN1CC[C@@H]1CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001323357293	947052717	/nfs/dbraw/zinc/05/27/17/947052717.db2.gz	MUMDVUWELMFVAT-SNVBAGLBSA-N	-1	0	319.327	0.657	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001410870597	947057939	/nfs/dbraw/zinc/05/79/39/947057939.db2.gz	DWWDFEJBIGVHLI-BFVZDQMLSA-N	-1	0	304.354	0.283	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CCC1=O	ZINC001260225123	947085784	/nfs/dbraw/zinc/08/57/84/947085784.db2.gz	FAHRCAVXWHXPNX-SNVBAGLBSA-N	-1	0	308.315	0.488	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)OC	ZINC001260230626	947087857	/nfs/dbraw/zinc/08/78/57/947087857.db2.gz	HAPVONNECRSUEP-LLVKDONJSA-N	-1	0	313.331	0.781	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccn2)C1	ZINC001602702140	971330408	/nfs/dbraw/zinc/33/04/08/971330408.db2.gz	JWZYFRHHODEBHJ-GFCCVEGCSA-N	-1	0	302.334	0.999	20	30		DCEDRM
CC(C)(C)c1noc([N-]S(=O)(=O)CS(C)(=O)=O)c1C#N	ZINC001260584497	947115029	/nfs/dbraw/zinc/11/50/29/947115029.db2.gz	JMYRBDQUDVZIFN-UHFFFAOYSA-N	-1	0	321.380	0.588	20	30		DCEDRM
COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)CS(C)(=O)=O	ZINC001260592753	947122632	/nfs/dbraw/zinc/12/26/32/947122632.db2.gz	QGIBKZLSZMUYFW-UHFFFAOYSA-N	-1	0	322.339	0.450	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)[C@@]1(C(=O)[O-])CCCO1	ZINC001602704870	971338533	/nfs/dbraw/zinc/33/85/33/971338533.db2.gz	YTQGBRRTNDNUJO-MRXNPFEDSA-N	-1	0	303.314	0.949	20	30		DCEDRM
COc1nc(Cl)c(C=Nn2c(=O)c(C)n[n-]c2=S)n1C	ZINC001324201513	947349609	/nfs/dbraw/zinc/34/96/09/947349609.db2.gz	HVKGAVUKEWYCMW-UHFFFAOYSA-N	-1	0	314.758	0.513	20	30		DCEDRM
N#CCOc1cccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c1	ZINC001324446458	947428331	/nfs/dbraw/zinc/42/83/31/947428331.db2.gz	LURXNNJJSDNVCP-LLVKDONJSA-N	-1	0	319.317	0.612	20	30		DCEDRM
C=CCN1CC[C@H](OC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)C1=O	ZINC001602723130	971394160	/nfs/dbraw/zinc/39/41/60/971394160.db2.gz	NTDBJJMAKVNOKM-WOPDTQHZSA-N	-1	0	311.334	0.586	20	30		DCEDRM
C=CCNC(=O)C[N@H+]1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001602723243	971395301	/nfs/dbraw/zinc/39/53/01/971395301.db2.gz	XFASJIOGBGYCDZ-VXGBXAGGSA-N	-1	0	306.366	0.212	20	30		DCEDRM
C=CCSCCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001602728832	971397485	/nfs/dbraw/zinc/39/74/85/971397485.db2.gz	JLUVZUPLRAAEMQ-UHFFFAOYSA-N	-1	0	321.420	0.301	20	30		DCEDRM
C=CC[C@H](NC(=O)C1CCN(S(=O)(=O)CC)CC1)C(=O)[O-]	ZINC000150338378	947861660	/nfs/dbraw/zinc/86/16/60/947861660.db2.gz	LMUQIPXAHWCDAH-NSHDSACASA-N	-1	0	318.395	0.194	20	30		DCEDRM
C=CCC1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CCOCC1	ZINC001326597577	948211460	/nfs/dbraw/zinc/21/14/60/948211460.db2.gz	VCTFVMMEQAHIMM-LLVKDONJSA-N	-1	0	307.354	0.473	20	30		DCEDRM
CC(C)[C@H](O)C(C)(C)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001574079598	948776293	/nfs/dbraw/zinc/77/62/93/948776293.db2.gz	LKINPNHORSSVOB-LBPRGKRZSA-N	-1	0	316.369	0.983	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2nnc(N)o2)C1	ZINC001602778667	971512478	/nfs/dbraw/zinc/51/24/78/971512478.db2.gz	JRSJWRGCPGTLTH-SDBXPKJASA-N	-1	0	307.310	0.362	20	30		DCEDRM
N#Cc1ncc(N2CCOC[C@@H]2CC(F)F)nc1-c1nnn[n-]1	ZINC001570932752	948864659	/nfs/dbraw/zinc/86/46/59/948864659.db2.gz	XNRZOHKLQLKPNV-ZETCQYMHSA-N	-1	0	322.279	0.389	20	30		DCEDRM
CC(C)(CNC(=O)[C@](C)(C#N)CC(=O)[O-])C1(O)CCOCC1	ZINC001602780834	971520606	/nfs/dbraw/zinc/52/06/06/971520606.db2.gz	OKZUEURULIRCBK-AWEZNQCLSA-N	-1	0	312.366	0.675	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1	ZINC001328725265	949055165	/nfs/dbraw/zinc/05/51/65/949055165.db2.gz	ARFYVIZEFSKQQB-LLVKDONJSA-N	-1	0	308.338	0.482	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000092130979	949141943	/nfs/dbraw/zinc/14/19/43/949141943.db2.gz	ZAKXKJFYMYLOPY-GFCCVEGCSA-N	-1	0	310.331	0.227	20	30		DCEDRM
COC(=O)CN(Cc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1	ZINC001364401611	949197347	/nfs/dbraw/zinc/19/73/47/949197347.db2.gz	WTJQAPFJDCWOQY-UHFFFAOYSA-N	-1	0	301.306	0.444	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@@H](c3cc[nH]n3)C2)c(C#N)c1=O	ZINC001364539637	949518620	/nfs/dbraw/zinc/51/86/20/949518620.db2.gz	XIQCAUXTTKTRRE-SECBINFHSA-N	-1	0	300.322	0.052	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@H](c3cc[nH]n3)C2)c(C#N)c1=O	ZINC001364539651	949520801	/nfs/dbraw/zinc/52/08/01/949520801.db2.gz	XIQCAUXTTKTRRE-VIFPVBQESA-N	-1	0	300.322	0.052	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCc2cncc(F)c2)c(=O)[n-]c1=O	ZINC001364771518	949912339	/nfs/dbraw/zinc/91/23/39/949912339.db2.gz	WBCQMLCBKOORAZ-UHFFFAOYSA-N	-1	0	317.280	0.061	20	30		DCEDRM
CC[C@H]1C(=O)NCCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001364919013	950188564	/nfs/dbraw/zinc/18/85/64/950188564.db2.gz	MNXJCOQQZGUBOH-NSHDSACASA-N	-1	0	302.334	0.708	20	30		DCEDRM
CCCOc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cn1	ZINC001365210706	950744498	/nfs/dbraw/zinc/74/44/98/950744498.db2.gz	ZLOCCUYHLCBPBP-UHFFFAOYSA-N	-1	0	315.333	0.741	20	30		DCEDRM
CCOC(=O)c1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])on1	ZINC001591091769	951056495	/nfs/dbraw/zinc/05/64/95/951056495.db2.gz	CPVPEFRPRDNXAL-ZDUSSCGKSA-N	-1	0	309.278	0.472	20	30		DCEDRM
N#CCCc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC001365395478	951065586	/nfs/dbraw/zinc/06/55/86/951065586.db2.gz	OTUIEKGIDANYKV-UHFFFAOYSA-N	-1	0	322.346	0.340	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NC[C@]23C[C@H]2CCC3)c(=O)[n-]c1=O	ZINC001365440911	951132068	/nfs/dbraw/zinc/13/20/68/951132068.db2.gz	BUYFVJMMQACKHB-ABAIWWIYSA-N	-1	0	317.349	0.310	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)C[C@H](C)NCC#N)cc1=O	ZINC001331507185	951147552	/nfs/dbraw/zinc/14/75/52/951147552.db2.gz	OPUZNEYNDRKSFD-LBPRGKRZSA-N	-1	0	307.398	0.335	20	30		DCEDRM
Cn1nnc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)n1	ZINC001365458334	951152403	/nfs/dbraw/zinc/15/24/03/951152403.db2.gz	YDCSIJXBOLLHFL-UHFFFAOYSA-N	-1	0	300.250	0.161	20	30		DCEDRM
Cn1nc(C(=O)[N-]S(=O)(=O)CCCC#N)c2ccccc21	ZINC001331524803	951157202	/nfs/dbraw/zinc/15/72/02/951157202.db2.gz	ZEWJNDIQBXWEML-UHFFFAOYSA-N	-1	0	306.347	0.937	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2c3c(nn2C)CCSC3)c1=O	ZINC001333183100	951949807	/nfs/dbraw/zinc/94/98/07/951949807.db2.gz	BAZGWHVMECPXSY-UHFFFAOYSA-N	-1	0	322.419	0.640	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1	ZINC001334242251	952268907	/nfs/dbraw/zinc/26/89/07/952268907.db2.gz	UQKFJSXXJUFQSW-UHFFFAOYSA-N	-1	0	301.393	0.635	20	30		DCEDRM
N#Cc1cc(C(=O)N2CC3(CN(Cc4cn[nH]c4)C3)C2)ccc1[O-]	ZINC001275708047	952396545	/nfs/dbraw/zinc/39/65/45/952396545.db2.gz	GRJXQGCYSUPKKJ-UHFFFAOYSA-N	-1	0	323.356	0.945	20	30		DCEDRM
C[C@H]1CCC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001412033692	952612059	/nfs/dbraw/zinc/61/20/59/952612059.db2.gz	WZRHOQYOTSFDOG-CMPLNLGQSA-N	-1	0	304.350	0.906	20	30		DCEDRM
CCc1nc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)co1	ZINC001412136498	952659225	/nfs/dbraw/zinc/65/92/25/952659225.db2.gz	SFWXDOTXAYTQKL-UHFFFAOYSA-N	-1	0	317.305	0.077	20	30		DCEDRM
CO[C@@H]1COC[C@@H]1NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001412169721	952675284	/nfs/dbraw/zinc/67/52/84/952675284.db2.gz	LPJLXPGUYYRTHO-VHSXEESVSA-N	-1	0	309.347	0.524	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCSCC(F)(F)F)c(C#N)c1=O	ZINC001336577317	952728647	/nfs/dbraw/zinc/72/86/47/952728647.db2.gz	GRHIPMVOPKYCQH-UHFFFAOYSA-N	-1	0	308.285	0.653	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2coc(C(F)F)c2)c(=O)[n-]c1=O	ZINC001412371030	952763749	/nfs/dbraw/zinc/76/37/49/952763749.db2.gz	HVIGUXXHPYOQAM-UHFFFAOYSA-N	-1	0	324.243	0.781	20	30		DCEDRM
C[C@H](c1ccco1)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412383966	952772311	/nfs/dbraw/zinc/77/23/11/952772311.db2.gz	WMYBBCAYEJLMDR-SECBINFHSA-N	-1	0	302.290	0.633	20	30		DCEDRM
C/C(=C(\F)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C1CC1	ZINC001337608902	952885695	/nfs/dbraw/zinc/88/56/95/952885695.db2.gz	GITWXGLAJKNVCT-XYOKQWHBSA-N	-1	0	318.308	0.857	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCOC[C@H]2O)cc1C#N	ZINC001412560621	952898916	/nfs/dbraw/zinc/89/89/16/952898916.db2.gz	RKAYVOJROURRIW-NXEZZACHSA-N	-1	0	309.347	0.260	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](C)N(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001338093641	952962486	/nfs/dbraw/zinc/96/24/86/952962486.db2.gz	WQTJITCPASCQAG-JQWIXIFHSA-N	-1	0	318.377	0.802	20	30		DCEDRM
C=CCO[C@@H]1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC)C1	ZINC001340241778	953156705	/nfs/dbraw/zinc/15/67/05/953156705.db2.gz	GFEQAUKFDGWJQE-SNVBAGLBSA-N	-1	0	304.354	0.303	20	30		DCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N(C)[C@H]1CC[C@@H]1OC	ZINC001340358834	953164233	/nfs/dbraw/zinc/16/42/33/953164233.db2.gz	MOALNEFDLBNAKR-QWRGUYRKSA-N	-1	0	318.385	0.376	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1csc(S(C)(=O)=O)c1	ZINC001343456808	953346714	/nfs/dbraw/zinc/34/67/14/953346714.db2.gz	WHGONCQMALADQG-SECBINFHSA-N	-1	0	312.372	0.776	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001281932318	953420096	/nfs/dbraw/zinc/42/00/96/953420096.db2.gz	KLKNYOXWGMNUKG-XHDPSFHLSA-N	-1	0	323.397	0.260	20	30		DCEDRM
C=CC[C@H](NC(=O)c1cccc(N2CCNC2=O)c1)C(=O)[O-]	ZINC001344551789	953496306	/nfs/dbraw/zinc/49/63/06/953496306.db2.gz	GBZGUSRYTWGWPI-LBPRGKRZSA-N	-1	0	303.318	0.975	20	30		DCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001593692557	954052174	/nfs/dbraw/zinc/05/21/74/954052174.db2.gz	ZIKKAYAYETZWST-OAHLLOKOSA-N	-1	0	305.334	0.724	20	30		DCEDRM
C=CCN(CCOC)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(C)C	ZINC001347460797	954099427	/nfs/dbraw/zinc/09/94/27/954099427.db2.gz	CRLWZAVGSSVVGK-UHFFFAOYSA-N	-1	0	320.397	0.797	20	30		DCEDRM
CN([C@@H]1CCC[C@@H]1C#N)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001593716844	954229902	/nfs/dbraw/zinc/22/99/02/954229902.db2.gz	NCWDAVBQKHOZKU-VXGBXAGGSA-N	-1	0	315.395	0.652	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001284049016	954813543	/nfs/dbraw/zinc/81/35/43/954813543.db2.gz	AZEKTYRDVBDVIM-BLLLJJGKSA-N	-1	0	317.393	0.783	20	30		DCEDRM
COC(=O)[C@@H](CC(F)(F)F)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001593808338	954919452	/nfs/dbraw/zinc/91/94/52/954919452.db2.gz	VKXRZCDJLZBJBJ-LHLIQPBNSA-N	-1	0	310.228	0.601	20	30		DCEDRM
Cc1nsc(N2CCN(C(=O)COCC(=O)[O-])CC2)c1C#N	ZINC001594503785	955348503	/nfs/dbraw/zinc/34/85/03/955348503.db2.gz	QGGXIYXHQOMZGS-UHFFFAOYSA-N	-1	0	324.362	0.073	20	30		DCEDRM
N#Cc1cn(C2CN(C(=S)NCC3CCC3)C2)c(=O)[n-]c1=O	ZINC001351651953	955368292	/nfs/dbraw/zinc/36/82/92/955368292.db2.gz	SJPAYSIEDZTJFR-UHFFFAOYSA-N	-1	0	319.390	0.352	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC001589022054	955478906	/nfs/dbraw/zinc/47/89/06/955478906.db2.gz	IIUFLNRXFBXXLO-QMMMGPOBSA-N	-1	0	307.281	0.815	20	30		DCEDRM
COC(=O)[C@]12CCC[C@H]1N(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC001593864987	955571488	/nfs/dbraw/zinc/57/14/88/955571488.db2.gz	FDDDHNKCJKUVHN-ONERCXAPSA-N	-1	0	308.334	0.935	20	30		DCEDRM
Cn1cc([C@@H]2C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2)cn1	ZINC001594537847	955592328	/nfs/dbraw/zinc/59/23/28/955592328.db2.gz	MDCKHIBWKAZSII-SLEUVZQESA-N	-1	0	320.349	0.761	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC001593906418	955921052	/nfs/dbraw/zinc/92/10/52/955921052.db2.gz	WQOUHOTXOURSOT-KGLIPLIRSA-N	-1	0	317.345	0.323	20	30		DCEDRM
N#CCCN(CC1CC1)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001594610423	956203103	/nfs/dbraw/zinc/20/31/03/956203103.db2.gz	RTFLUJYACIQBEI-UHFFFAOYSA-N	-1	0	316.317	0.871	20	30		DCEDRM
N#CCc1cccc2c1CCN(C(=O)NCCOCC(=O)[O-])C2	ZINC001594611088	956210466	/nfs/dbraw/zinc/21/04/66/956210466.db2.gz	NKECIFHUEWEUQW-UHFFFAOYSA-N	-1	0	317.345	0.922	20	30		DCEDRM
N#CC[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001594611417	956213899	/nfs/dbraw/zinc/21/38/99/956213899.db2.gz	NQMDDINNYXFDRI-ONGXEEELSA-N	-1	0	316.317	0.917	20	30		DCEDRM
N#Cc1ccc(-c2nnc(CN[C@@]3(C(=O)[O-])CCOC3)o2)cc1	ZINC001594617627	956251557	/nfs/dbraw/zinc/25/15/57/956251557.db2.gz	RCLXUQUMMJKQHE-HNNXBMFYSA-N	-1	0	314.301	0.942	20	30		DCEDRM
C[C@](O)(CNC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-]	ZINC001589143707	956270913	/nfs/dbraw/zinc/27/09/13/956270913.db2.gz	DZIAOZFUDAKBAC-HNNXBMFYSA-N	-1	0	315.285	0.779	20	30		DCEDRM
N#Cc1ccc(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)nc1	ZINC001594623195	956297604	/nfs/dbraw/zinc/29/76/04/956297604.db2.gz	ZRLKYLRFTPRKBL-UHFFFAOYSA-N	-1	0	323.330	0.171	20	30		DCEDRM
N#Cc1cccc(CNC(=O)COC(=O)[C@H](C(=O)[O-])C2CC2)c1	ZINC001594625063	956306641	/nfs/dbraw/zinc/30/66/41/956306641.db2.gz	CECXUNOMWXXXAO-AWEZNQCLSA-N	-1	0	316.313	0.828	20	30		DCEDRM
N#Cc1ccnc(Cn2cc(CN3CCC[C@@H]3C(=O)[O-])nn2)c1	ZINC001594632096	956348815	/nfs/dbraw/zinc/34/88/15/956348815.db2.gz	UAPFXKPWHYJSHW-CQSZACIVSA-N	-1	0	312.333	0.642	20	30		DCEDRM
COCC#CC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001593950578	956376954	/nfs/dbraw/zinc/37/69/54/956376954.db2.gz	CEPFUDGDCNBRTI-VXGBXAGGSA-N	-1	0	305.334	0.087	20	30		DCEDRM
C[C@@H](OC(=O)COCC(=O)[O-])C(=O)Nc1ccccc1C#N	ZINC001589159269	956393869	/nfs/dbraw/zinc/39/38/69/956393869.db2.gz	JKVUASOTRDKTHJ-SECBINFHSA-N	-1	0	306.274	0.530	20	30		DCEDRM
C[C@H](OC(=O)COCC(=O)[O-])C(=O)Nc1cccc(C#N)c1	ZINC001589160036	956401773	/nfs/dbraw/zinc/40/17/73/956401773.db2.gz	ZHMQPBTYSGCTLN-VIFPVBQESA-N	-1	0	306.274	0.530	20	30		DCEDRM
CC[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC(C)(C)C	ZINC001472745748	956442713	/nfs/dbraw/zinc/44/27/13/956442713.db2.gz	ZODJKFGWNYSAHJ-SECBINFHSA-N	-1	0	308.338	0.477	20	30		DCEDRM
C#CCO[N-]C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1	ZINC001300674056	956451116	/nfs/dbraw/zinc/45/11/16/956451116.db2.gz	GRIVZSSOBRQYGY-SECBINFHSA-N	-1	0	314.388	0.269	20	30		DCEDRM
C[C@H](CC(=O)[O-])NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC001603124512	972207989	/nfs/dbraw/zinc/20/79/89/972207989.db2.gz	AWXRETAHIWUZLP-SNVBAGLBSA-N	-1	0	324.358	0.452	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001326239833	957318690	/nfs/dbraw/zinc/31/86/90/957318690.db2.gz	JYRIEJMBKVROAY-GRYCIOLGSA-N	-1	0	310.350	0.159	20	30		DCEDRM
COc1ccc(S(=O)(=O)NC[C@@H](C)C#N)c(CC(=O)[O-])c1	ZINC000054156637	957522569	/nfs/dbraw/zinc/52/25/69/957522569.db2.gz	RORJYPIFKODOPL-VIFPVBQESA-N	-1	0	312.347	0.760	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-]	ZINC001295509552	957736754	/nfs/dbraw/zinc/73/67/54/957736754.db2.gz	QQMGLYKWTAILDB-UHFFFAOYSA-N	-1	0	320.330	0.502	20	30		DCEDRM
C=C[C@@H](O)C(=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1	ZINC001296143289	957910352	/nfs/dbraw/zinc/91/03/52/957910352.db2.gz	VLZPDDPJEUNTRO-NXEZZACHSA-N	-1	0	311.704	0.745	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)N1CCc2cc(F)ccc21	ZINC001588394467	958034140	/nfs/dbraw/zinc/03/41/40/958034140.db2.gz	FAMUNVCHMWKQOT-UHFFFAOYSA-N	-1	0	304.277	0.261	20	30		DCEDRM
C#CCCOC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001588394939	958036715	/nfs/dbraw/zinc/03/67/15/958036715.db2.gz	AEVJGKCBDGTLGW-LOIXOFCESA-N	-1	0	309.318	0.732	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc(F)c1Cl	ZINC001588395283	958039275	/nfs/dbraw/zinc/03/92/75/958039275.db2.gz	LGAMYWJTOVBILM-UHFFFAOYSA-N	-1	0	312.684	0.964	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC001588395278	958039792	/nfs/dbraw/zinc/03/97/92/958039792.db2.gz	KYXYBWHGIYFWKX-UHFFFAOYSA-N	-1	0	303.249	0.182	20	30		DCEDRM
C#CCN(CC(=O)N1CC[C@H](C(=O)[O-])C1)C(=O)OC(C)(C)C	ZINC001588396483	958049752	/nfs/dbraw/zinc/04/97/52/958049752.db2.gz	ZQPKZYVLGWIXBQ-NSHDSACASA-N	-1	0	310.350	0.790	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC001588397806	958063127	/nfs/dbraw/zinc/06/31/27/958063127.db2.gz	VMYCZCYPYKLYSY-SDDRHHMPSA-N	-1	0	320.345	0.097	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCN1Cc1ccc(OC)cc1	ZINC001588400216	958079168	/nfs/dbraw/zinc/07/91/68/958079168.db2.gz	STLIPJUXSGFPBN-OAHLLOKOSA-N	-1	0	316.357	0.816	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCCN1Cc1ccncc1	ZINC001588400189	958079371	/nfs/dbraw/zinc/07/93/71/958079371.db2.gz	SNELTTOUIFLAKC-OAHLLOKOSA-N	-1	0	315.373	0.983	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCSc1ncnc2[nH]cnc21	ZINC001588402265	958090126	/nfs/dbraw/zinc/09/01/26/958090126.db2.gz	PDXNJGCHAKYGRL-UHFFFAOYSA-N	-1	0	319.346	0.382	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cn1cc(C(F)(F)F)ccc1=O	ZINC001588406587	958094975	/nfs/dbraw/zinc/09/49/75/958094975.db2.gz	AYSYDVPNHGAVJK-UHFFFAOYSA-N	-1	0	316.235	0.414	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc2cnn(C)c2c1	ZINC001588408940	958121481	/nfs/dbraw/zinc/12/14/81/958121481.db2.gz	NLZCQIMKRBXEQZ-UHFFFAOYSA-N	-1	0	300.318	0.803	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1c(OC)ncnc1N(C)C	ZINC001588411029	958145088	/nfs/dbraw/zinc/14/50/88/958145088.db2.gz	FZHRGULALZPMGE-UHFFFAOYSA-N	-1	0	307.310	0.103	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc(N2CCC2=O)c1	ZINC001588412690	958153304	/nfs/dbraw/zinc/15/33/04/958153304.db2.gz	HUDGOHKILHSUDA-UHFFFAOYSA-N	-1	0	301.302	0.975	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21	ZINC001588419899	958197060	/nfs/dbraw/zinc/19/70/60/958197060.db2.gz	GZQMSONLDFXYGS-UHFFFAOYSA-N	-1	0	317.301	0.504	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ncnn2C)n1CC1CC1	ZINC001588426492	958229028	/nfs/dbraw/zinc/22/90/28/958229028.db2.gz	NLBFCLKNSZZIJG-UHFFFAOYSA-N	-1	0	315.337	0.008	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2nc[nH]c2C)n1CC1CC1	ZINC001588426701	958232084	/nfs/dbraw/zinc/23/20/84/958232084.db2.gz	ZCGFGBGVPRNYTM-UHFFFAOYSA-N	-1	0	314.349	0.911	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2C[C@@H]3C[C@@H](O)[C@@H]3C2)n1C	ZINC001588426862	958235237	/nfs/dbraw/zinc/23/52/37/958235237.db2.gz	DZUJECYMNREPFC-WRWGMCAJSA-N	-1	0	304.350	0.214	20	30		DCEDRM
C#CCOCCC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001588430347	958254487	/nfs/dbraw/zinc/25/44/87/958254487.db2.gz	AQBZVOWOKFIIIX-CHWSQXEVSA-N	-1	0	319.361	0.477	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001588430675	958260429	/nfs/dbraw/zinc/26/04/29/958260429.db2.gz	FYSOEXGNCWZFTG-BYHRKAOISA-N	-1	0	323.345	0.137	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	ZINC001588431007	958263729	/nfs/dbraw/zinc/26/37/29/958263729.db2.gz	RQFFBQRBRHAHRR-ZDUSSCGKSA-N	-1	0	323.393	0.265	20	30		DCEDRM
C#CCN(CCC(=O)NC(=O)Nc1ccccc1)CC(=O)[O-]	ZINC001588432456	958282476	/nfs/dbraw/zinc/28/24/76/958282476.db2.gz	VXAVKDUHOHVZJS-UHFFFAOYSA-N	-1	0	303.318	0.745	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001594342854	958310668	/nfs/dbraw/zinc/31/06/68/958310668.db2.gz	YRDXQDMVWQLXIF-UHFFFAOYSA-N	-1	0	301.302	0.236	20	30		DCEDRM
Cc1ccc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)cc1C#N	ZINC001594349953	958340281	/nfs/dbraw/zinc/34/02/81/958340281.db2.gz	OQXUXGILUPEDMW-LBPRGKRZSA-N	-1	0	302.286	0.709	20	30		DCEDRM
C=C1CCN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1	ZINC001588445745	958374941	/nfs/dbraw/zinc/37/49/41/958374941.db2.gz	QMVMCERMZGJSJI-GFCCVEGCSA-N	-1	0	309.366	0.814	20	30		DCEDRM
CSc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)nc1	ZINC001361831463	958379823	/nfs/dbraw/zinc/37/98/23/958379823.db2.gz	BAWQARGDTRIRAG-UHFFFAOYSA-N	-1	0	317.330	0.576	20	30		DCEDRM
CC1CCC(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001361856028	958410762	/nfs/dbraw/zinc/41/07/62/958410762.db2.gz	QOZQBYQMAOMUMZ-UHFFFAOYSA-N	-1	0	304.350	0.763	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])cc1	ZINC001588465438	958503005	/nfs/dbraw/zinc/50/30/05/958503005.db2.gz	JVJDHDJIGIAPQZ-OAHLLOKOSA-N	-1	0	321.333	0.560	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588465531	958504845	/nfs/dbraw/zinc/50/48/45/958504845.db2.gz	RDEXTYZCPJTSRN-QMMMGPOBSA-N	-1	0	321.289	0.337	20	30		DCEDRM
C=CCOCC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001588466469	958513752	/nfs/dbraw/zinc/51/37/52/958513752.db2.gz	SHPIGJMJSAIOEW-NXEZZACHSA-N	-1	0	324.299	0.785	20	30		DCEDRM
C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588471605	958535126	/nfs/dbraw/zinc/53/51/26/958535126.db2.gz	BYTUFCLJYFBUFQ-LBPRGKRZSA-N	-1	0	322.365	0.853	20	30		DCEDRM
C=CCn1c(N2CC[C@](C)(C(=O)[O-])C2)nnc1[C@]1(O)CCOC1	ZINC001588473405	958551887	/nfs/dbraw/zinc/55/18/87/958551887.db2.gz	YZRPPYQWBMGLML-GJZGRUSLSA-N	-1	0	322.365	0.373	20	30		DCEDRM
COCCC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001362072664	958689987	/nfs/dbraw/zinc/68/99/87/958689987.db2.gz	NFIUVKFHQBJYFW-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC2(C(N)=O)CCCC2)cc1C#N	ZINC001362103572	958744452	/nfs/dbraw/zinc/74/44/52/958744452.db2.gz	PZPYHAJFNCHYQV-UHFFFAOYSA-N	-1	0	320.374	0.909	20	30		DCEDRM
CC1(C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C(C)(C)CO1	ZINC001362106378	958746943	/nfs/dbraw/zinc/74/69/43/958746943.db2.gz	AMIAEBYKTKKHTF-UHFFFAOYSA-N	-1	0	320.349	0.237	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1	ZINC001588534553	958923608	/nfs/dbraw/zinc/92/36/08/958923608.db2.gz	KCSZIMKJLSXFCM-RMLUDKJBSA-N	-1	0	320.305	0.208	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001588543501	958980213	/nfs/dbraw/zinc/98/02/13/958980213.db2.gz	MYAUNIYNZIUKKF-QWRGUYRKSA-N	-1	0	322.365	0.253	20	30		DCEDRM
C[C@H](C#N)CNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001588543499	958980238	/nfs/dbraw/zinc/98/02/38/958980238.db2.gz	MYAUNIYNZIUKKF-MNOVXSKESA-N	-1	0	322.365	0.253	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H](CO)[C@@H]2CCOC2)cc1C#N	ZINC001362278806	959057336	/nfs/dbraw/zinc/05/73/36/959057336.db2.gz	JDSVKHNEXQUWRB-LDYMZIIASA-N	-1	0	323.374	0.508	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC001588566106	959148910	/nfs/dbraw/zinc/14/89/10/959148910.db2.gz	TWACVUKSUGFFBF-TZMCWYRMSA-N	-1	0	301.346	0.944	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2Cc3ccccc3C2)c(=O)[n-]c1=O	ZINC001362334570	959162611	/nfs/dbraw/zinc/16/26/11/959162611.db2.gz	ZTOFKERAHXLKDV-UHFFFAOYSA-N	-1	0	310.313	0.104	20	30		DCEDRM
C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)[O-]	ZINC001594206663	959274562	/nfs/dbraw/zinc/27/45/62/959274562.db2.gz	NYCBDEYAINGCDL-SSDOTTSWSA-N	-1	0	314.294	0.326	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1	ZINC001362437153	959356454	/nfs/dbraw/zinc/35/64/54/959356454.db2.gz	GPOAGIGINLFWCB-BDJLRTHQSA-N	-1	0	317.345	0.987	20	30		DCEDRM
CNC(=O)[C@@H]1CCCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362473398	959421592	/nfs/dbraw/zinc/42/15/92/959421592.db2.gz	LYFQWYMMIKLGHS-NSHDSACASA-N	-1	0	302.334	0.708	20	30		DCEDRM
C[Si](C)(C)C#CCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001594246869	959582997	/nfs/dbraw/zinc/58/29/97/959582997.db2.gz	CZAFQOGIBFWNIC-GFCCVEGCSA-N	-1	0	324.453	0.697	20	30		DCEDRM
CC[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC001362682520	959820027	/nfs/dbraw/zinc/82/00/27/959820027.db2.gz	GHWZHLRKFAUHPS-QWRGUYRKSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CC[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C	ZINC001362682515	959820504	/nfs/dbraw/zinc/82/05/04/959820504.db2.gz	GHWZHLRKFAUHPS-MNOVXSKESA-N	-1	0	304.350	0.858	20	30		DCEDRM
CCOC[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001362776712	959972902	/nfs/dbraw/zinc/97/29/02/959972902.db2.gz	FVDYUSNWIQOYKQ-LBPRGKRZSA-N	-1	0	322.365	0.388	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)Cc1cnn(C)c1	ZINC001362789206	959989790	/nfs/dbraw/zinc/98/97/90/959989790.db2.gz	NZMVNTHLBIMGKW-GFCCVEGCSA-N	-1	0	315.333	0.034	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC001301650734	960007176	/nfs/dbraw/zinc/00/71/76/960007176.db2.gz	UOIXIVZAKQDPET-ZDUSSCGKSA-N	-1	0	307.317	0.929	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1C[C@H]2CCCCN2C1=O	ZINC001362816939	960034265	/nfs/dbraw/zinc/03/42/65/960034265.db2.gz	LFHHGDBSPANEEW-NEPJUHHUSA-N	-1	0	314.345	0.851	20	30		DCEDRM
C[C@H](CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCCO1	ZINC001363002935	960285233	/nfs/dbraw/zinc/28/52/33/960285233.db2.gz	HFETWJUXQGHGLS-PWSUYJOCSA-N	-1	0	320.349	0.142	20	30		DCEDRM
CC(C)c1nocc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363004598	960287623	/nfs/dbraw/zinc/28/76/23/960287623.db2.gz	SMGSUWSVFCFSGH-UHFFFAOYSA-N	-1	0	317.305	0.362	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC2(C#N)CCCC2)c(=O)[n-]c1=O	ZINC001363011809	960298517	/nfs/dbraw/zinc/29/85/17/960298517.db2.gz	JXXDTZQSCGHKKS-UHFFFAOYSA-N	-1	0	315.333	0.411	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)[C@@H](C)O1	ZINC001363074661	960374767	/nfs/dbraw/zinc/37/47/67/960374767.db2.gz	HQRVAMBXGUCUSS-LNLATYFQSA-N	-1	0	318.333	0.017	20	30		DCEDRM
COCc1ccnc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001363190937	960567353	/nfs/dbraw/zinc/56/73/53/960567353.db2.gz	SCSYGRMYDLOOAB-UHFFFAOYSA-N	-1	0	315.289	0.001	20	30		DCEDRM
CO[C@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001363237918	960675778	/nfs/dbraw/zinc/67/57/78/960675778.db2.gz	DISHZSJEAZICLA-LBPRGKRZSA-N	-1	0	320.349	0.238	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1coc(C#N)c1	ZINC001571093083	961135443	/nfs/dbraw/zinc/13/54/43/961135443.db2.gz	ZGUUXAZWJVJEAO-LDYMZIIASA-N	-1	0	306.274	0.630	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)NCc2nc([O-])cc(=O)[nH]2)c1	ZINC001363486910	961261995	/nfs/dbraw/zinc/26/19/95/961261995.db2.gz	QJQPLBOUKYVXAN-UHFFFAOYSA-N	-1	0	313.317	0.755	20	30		DCEDRM
C#CC[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1ccccc1	ZINC001331492197	961376893	/nfs/dbraw/zinc/37/68/93/961376893.db2.gz	AHHBKLYDRUZTAE-IHRRRGAJSA-N	-1	0	314.341	0.847	20	30		DCEDRM
N#Cc1cccc(NC(=O)CCn2nnc(CCC(=O)[O-])n2)c1	ZINC001571120600	961444591	/nfs/dbraw/zinc/44/45/91/961444591.db2.gz	XYNLXVPNYOUYDB-UHFFFAOYSA-N	-1	0	314.305	0.591	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCCC[C@H]1CNc1ccnc(C(=O)[O-])n1	ZINC001571132884	961575319	/nfs/dbraw/zinc/57/53/19/961575319.db2.gz	BQULATUDRLPQDS-MNOVXSKESA-N	-1	0	317.349	0.549	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(O)(c2ccnn2C)C1	ZINC001363740032	961793223	/nfs/dbraw/zinc/79/32/23/961793223.db2.gz	UHTTYMWODGNKJN-UHFFFAOYSA-N	-1	0	313.317	0.044	20	30		DCEDRM
CN(C)c1noc(CCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001571150252	961793983	/nfs/dbraw/zinc/79/39/83/961793983.db2.gz	BXIAKXVWGDMWEJ-UHFFFAOYSA-N	-1	0	321.337	0.285	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1	ZINC001571150701	961799355	/nfs/dbraw/zinc/79/93/55/961799355.db2.gz	LDOYNBQHLGQHKS-OCCSQVGLSA-N	-1	0	321.358	0.971	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001573999058	961874062	/nfs/dbraw/zinc/87/40/62/961874062.db2.gz	NKHWVPZELRVHGP-LLVKDONJSA-N	-1	0	324.381	0.643	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001574056288	962187479	/nfs/dbraw/zinc/18/74/79/962187479.db2.gz	YTKAWAKRHSDCPA-UHFFFAOYSA-N	-1	0	320.301	0.679	20	30		DCEDRM
C[C@@H]1CCC[C@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)O1	ZINC001364045372	962363488	/nfs/dbraw/zinc/36/34/88/962363488.db2.gz	OWGBCYUGESHUMC-ZYHUDNBSSA-N	-1	0	320.349	0.284	20	30		DCEDRM
C[C@H]1CCC[C@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364221803	962700159	/nfs/dbraw/zinc/70/01/59/962700159.db2.gz	WHTKLEKAZQOBEX-GXSJLCMTSA-N	-1	0	305.338	0.308	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])cn1	ZINC001573311974	962717408	/nfs/dbraw/zinc/71/74/08/962717408.db2.gz	LDGKKINSOQLFMV-GFCCVEGCSA-N	-1	0	301.327	0.945	20	30		DCEDRM
C=C(Br)CN1CCC(NC(=O)CNC(=O)[O-])CC1	ZINC001573313105	962727164	/nfs/dbraw/zinc/72/71/64/962727164.db2.gz	BMYYGPAWOCIGBY-UHFFFAOYSA-N	-1	0	320.187	0.743	20	30		DCEDRM
C=C(CO)C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001573339374	962889428	/nfs/dbraw/zinc/88/94/28/962889428.db2.gz	RMSAHSWKILKEPX-VIFPVBQESA-N	-1	0	310.331	0.216	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC001573339368	962889604	/nfs/dbraw/zinc/88/96/04/962889604.db2.gz	RJYKMGFYAVIPSX-NWDGAFQWSA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@H](CO)Nc2ncc(C(=O)[O-])cn2)C1	ZINC001573343223	962902625	/nfs/dbraw/zinc/90/26/25/962902625.db2.gz	BNUYWGWWNOEOBN-LLVKDONJSA-N	-1	0	320.349	0.420	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN(CC(N)=O)C1CCCC1)cc2=O	ZINC001364345666	962930256	/nfs/dbraw/zinc/93/02/56/962930256.db2.gz	MTDSUVHBSFWNPA-UHFFFAOYSA-N	-1	0	314.349	0.536	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCCN(CC)c1ncc(C(=O)[O-])cn1	ZINC001573348651	962961012	/nfs/dbraw/zinc/96/10/12/962961012.db2.gz	YXGHMAIMOANQSG-OAHLLOKOSA-N	-1	0	322.365	0.444	20	30		DCEDRM
C=CCCC(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C2	ZINC001573353380	963000524	/nfs/dbraw/zinc/00/05/24/963000524.db2.gz	UEYGDVFNCIFCEE-RYUDHWBXSA-N	-1	0	306.362	0.734	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CC1)C(=O)[O-]	ZINC001573365830	963056424	/nfs/dbraw/zinc/05/64/24/963056424.db2.gz	INWYXUNOQWADCO-SNVBAGLBSA-N	-1	0	319.379	0.669	20	30		DCEDRM
C#Cc1ccc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1	ZINC001588439111	964028724	/nfs/dbraw/zinc/02/87/24/964028724.db2.gz	NXMQDJKPVOPWOA-UHFFFAOYSA-N	-1	0	322.386	0.799	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1[C@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@H]21	ZINC001588440473	964037987	/nfs/dbraw/zinc/03/79/87/964037987.db2.gz	WFPNUQFJPCCHRE-IMRBUKKESA-N	-1	0	314.345	0.529	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ncn(CC(=O)[O-])n2)c1	ZINC001574249662	969850762	/nfs/dbraw/zinc/85/07/62/969850762.db2.gz	KAUFUXCIMJCDLG-NWDGAFQWSA-N	-1	0	311.301	0.977	20	30		DCEDRM
C#CC[C@@]1(C(=O)NCC(=O)[O-])CCCN1C(=O)OC(C)(C)C	ZINC001609623897	970423510	/nfs/dbraw/zinc/42/35/10/970423510.db2.gz	LOPAZOYGYCTJGA-HNNXBMFYSA-N	-1	0	310.350	0.980	20	30		DCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000321172349	970749231	/nfs/dbraw/zinc/74/92/31/970749231.db2.gz	YAVSJOAKJBUGSQ-LBPRGKRZSA-N	-1	0	313.375	0.919	20	30		DCEDRM
CC(C)(C(=O)OCC(=O)NCC(=O)[O-])c1cc(F)cc(C#N)c1	ZINC001603293828	972564974	/nfs/dbraw/zinc/56/49/74/972564974.db2.gz	PHVADJBDGHPEOP-UHFFFAOYSA-N	-1	0	322.292	0.719	20	30		DCEDRM
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001604267660	972810728	/nfs/dbraw/zinc/81/07/28/972810728.db2.gz	LSSBNUHHQRGEHH-MLGOLLRUSA-N	-1	0	318.329	0.891	20	30		DCEDRM
COC(=O)c1cccc(NN=C(C)c2cn(CC(=O)[O-])nn2)c1	ZINC001604402216	973140792	/nfs/dbraw/zinc/14/07/92/973140792.db2.gz	YYKYOSJRAFIKGZ-UHFFFAOYSA-N	-1	0	317.305	0.985	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)C1	ZINC001604523994	973474180	/nfs/dbraw/zinc/47/41/80/973474180.db2.gz	YLXGVYGCANZMLP-CJNGLKHVSA-N	-1	0	318.329	0.541	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(c2cc(C#N)nc(C3CC3)n2)CCO1	ZINC001604564077	973620669	/nfs/dbraw/zinc/62/06/69/973620669.db2.gz	GIYUARTYEZCCNG-OAHLLOKOSA-N	-1	0	318.333	0.532	20	30		DCEDRM
N#C[C@@]1(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)CCCOC1	ZINC001605576453	973848090	/nfs/dbraw/zinc/84/80/90/973848090.db2.gz	NUJQUKIRJZSTCO-MJVOBMLWSA-N	-1	0	322.361	0.835	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cn1	ZINC001605602304	973913142	/nfs/dbraw/zinc/91/31/42/973913142.db2.gz	ZCBBNLISUKFJBC-NHYWBVRUSA-N	-1	0	301.302	0.055	20	30		DCEDRM
C[C@@H](/C=C/C(=O)[O-])NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC001592200335	977195387	/nfs/dbraw/zinc/19/53/87/977195387.db2.gz	GTHUTMFPVXDBDR-BPQDVTRRSA-N	-1	0	301.302	0.434	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001592221327	977397412	/nfs/dbraw/zinc/39/74/12/977397412.db2.gz	BSTKAWMLPMCDGW-GARJFASQSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000717769206	977916788	/nfs/dbraw/zinc/91/67/88/977916788.db2.gz	DECAVXNVRWTFAF-QMMMGPOBSA-N	-1	0	301.295	0.186	20	30		DCEDRM
C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1	ZINC001592417794	978019343	/nfs/dbraw/zinc/01/93/43/978019343.db2.gz	CELKRPMHGSWDGI-LLVKDONJSA-N	-1	0	315.395	0.101	20	30		DCEDRM
C[C@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)CSCC#N	ZINC001592589056	978515422	/nfs/dbraw/zinc/51/54/22/978515422.db2.gz	UTMJBIZVMQAGKI-SECBINFHSA-N	-1	0	323.378	0.372	20	30		DCEDRM
CC(Cn1nc(C)cc1C)=NO[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001592929568	979958275	/nfs/dbraw/zinc/95/82/75/979958275.db2.gz	JLHDUWLLEOXVEK-CYBMUJFWSA-N	-1	0	322.365	0.968	20	30		DCEDRM
C[C@@H](NC(=O)C#CC1CC1)[C@@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001592967605	980092768	/nfs/dbraw/zinc/09/27/68/980092768.db2.gz	DQNOWOXHRWPBRS-NXEZZACHSA-N	-1	0	302.334	0.893	20	30		DCEDRM
CC[C@@](C)(O)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001594858250	982125192	/nfs/dbraw/zinc/12/51/92/982125192.db2.gz	CZYJEKGDONGVAX-CYBMUJFWSA-N	-1	0	312.347	0.696	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F	ZINC001588370625	983321219	/nfs/dbraw/zinc/32/12/19/983321219.db2.gz	JEYJVTOTSKJQNI-SECBINFHSA-N	-1	0	301.295	0.105	20	30		DCEDRM
C#C[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])c1ccccc1	ZINC001588372038	983327412	/nfs/dbraw/zinc/32/74/12/983327412.db2.gz	CAUAIVYDXPGITB-ZDUSSCGKSA-N	-1	0	317.345	0.641	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)C1CCC(C(=O)[O-])CC1)[C@H]1CCCO1	ZINC001588376447	983351995	/nfs/dbraw/zinc/35/19/95/983351995.db2.gz	DPWAFOVSOCLGLS-FIYWTHMPSA-N	-1	0	315.391	0.730	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)C1CCC(C(=O)[O-])CC1)[C@@H]1CCCO1	ZINC001588376452	983352105	/nfs/dbraw/zinc/35/21/05/983352105.db2.gz	DPWAFOVSOCLGLS-TYUFSLCMSA-N	-1	0	315.391	0.730	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)CCCCCC(=O)[O-])[C@H]1CCCO1	ZINC001588378109	983360765	/nfs/dbraw/zinc/36/07/65/983360765.db2.gz	UVHMMYIQUVZDHE-NWDGAFQWSA-N	-1	0	303.380	0.732	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)CCCCCC(=O)[O-])[C@@H]1CCCO1	ZINC001588378110	983360849	/nfs/dbraw/zinc/36/08/49/983360849.db2.gz	UVHMMYIQUVZDHE-RYUDHWBXSA-N	-1	0	303.380	0.732	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccc(F)cc1	ZINC001588378073	983361039	/nfs/dbraw/zinc/36/10/39/983361039.db2.gz	UGVXRFCHKWVVLY-NSHDSACASA-N	-1	0	323.305	0.900	20	30		DCEDRM
C#CC1(O)CN(C(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)C1	ZINC001588379638	983365411	/nfs/dbraw/zinc/36/54/11/983365411.db2.gz	NZHCXGIFIMUDLI-UHFFFAOYSA-N	-1	0	311.297	0.391	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1	ZINC001588381849	983367723	/nfs/dbraw/zinc/36/77/23/983367723.db2.gz	BSXAPUWFSDDOQT-RGDJUOJXSA-N	-1	0	318.373	0.474	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1	ZINC001588381847	983367728	/nfs/dbraw/zinc/36/77/28/983367728.db2.gz	BSXAPUWFSDDOQT-KSTCHIGDSA-N	-1	0	318.373	0.474	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC001588384021	983386384	/nfs/dbraw/zinc/38/63/84/983386384.db2.gz	SMENVYGYQYUROY-ZDUSSCGKSA-N	-1	0	318.329	0.807	20	30		DCEDRM
C#C[C@@H]1COCCN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1	ZINC001588384247	983388231	/nfs/dbraw/zinc/38/82/31/983388231.db2.gz	ZYPKABKDRGRPEA-ZIAGYGMSSA-N	-1	0	305.330	0.459	20	30		DCEDRM
C#CCC(CC#C)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001588390537	983394809	/nfs/dbraw/zinc/39/48/09/983394809.db2.gz	XGIAJMJEAGIFQB-KRWDZBQOSA-N	-1	0	318.373	0.037	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2	ZINC001588394010	983401248	/nfs/dbraw/zinc/40/12/48/983401248.db2.gz	LEBSKOMWSJLLNL-RKDXNWHRSA-N	-1	0	323.374	0.838	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)CCCO1)C(=O)[O-]	ZINC001588398054	983410438	/nfs/dbraw/zinc/41/04/38/983410438.db2.gz	BTFAQRDFZUQFME-BMIGLBTASA-N	-1	0	311.334	0.470	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC001588398171	983411301	/nfs/dbraw/zinc/41/13/01/983411301.db2.gz	FIFOZVNJSVEHTO-ZWNOBZJWSA-N	-1	0	323.370	0.786	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC001588405223	983420276	/nfs/dbraw/zinc/42/02/76/983420276.db2.gz	KXNRATPQXIDYLF-CYBMUJFWSA-N	-1	0	323.370	0.752	20	30		DCEDRM
C#CC[C@H](NC(=O)CN1Cc2ccccc2OC1=O)C(=O)[O-]	ZINC001588405475	983421696	/nfs/dbraw/zinc/42/16/96/983421696.db2.gz	PUEPPFWMQIYAMJ-NSHDSACASA-N	-1	0	302.286	0.594	20	30		DCEDRM
C#CC[C@H](NC(=O)CNC(=O)Nc1cccc(C)c1)C(=O)[O-]	ZINC001588405647	983422117	/nfs/dbraw/zinc/42/21/17/983422117.db2.gz	RVTZWYKHCNDYII-LBPRGKRZSA-N	-1	0	303.318	0.709	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(c2cccc(OC)c2)=NO1)C(=O)[O-]	ZINC001588405718	983422534	/nfs/dbraw/zinc/42/25/34/983422534.db2.gz	IKHRNSXZYCQYMN-TZMCWYRMSA-N	-1	0	316.313	0.781	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN(CC(F)(F)F)C1=O)C(=O)[O-]	ZINC001588406171	983424649	/nfs/dbraw/zinc/42/46/49/983424649.db2.gz	NCJULEIXAGYTNT-BDAKNGLRSA-N	-1	0	320.267	0.380	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)CC[C@@H]1CC1(Cl)Cl)C(=O)[O-]	ZINC001588423298	983451805	/nfs/dbraw/zinc/45/18/05/983451805.db2.gz	CLEYYULTLKGIRP-HTQZYQBOSA-N	-1	0	314.190	0.966	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc2ccncc21)C(=O)[O-]	ZINC001588428249	983460898	/nfs/dbraw/zinc/46/08/98/983460898.db2.gz	GYQNIOCWIWVWAO-GFCCVEGCSA-N	-1	0	304.327	0.990	20	30		DCEDRM
C#CCC1(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])CCCCC1	ZINC001588428314	983460981	/nfs/dbraw/zinc/46/09/81/983460981.db2.gz	KAAAJVIKNZOGRA-GFCCVEGCSA-N	-1	0	304.350	0.821	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC001588435062	983474207	/nfs/dbraw/zinc/47/42/07/983474207.db2.gz	BDPOBTDOHBOQCQ-VIFPVBQESA-N	-1	0	315.322	0.577	20	30		DCEDRM
C#CCCOc1ccc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1	ZINC001588456147	983481516	/nfs/dbraw/zinc/48/15/16/983481516.db2.gz	ZZYAZUFIVFEAJZ-ZIAGYGMSSA-N	-1	0	317.341	0.996	20	30		DCEDRM
C#CCCn1nnnc1N1CC[C@H](c2ncc(C(=O)[O-])s2)C1	ZINC001588458213	983482939	/nfs/dbraw/zinc/48/29/39/983482939.db2.gz	KVWZUBBEHVVZON-VIFPVBQESA-N	-1	0	318.362	0.845	20	30		DCEDRM
C#CCN(C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)C(C)C	ZINC001588458732	983483692	/nfs/dbraw/zinc/48/36/92/983483692.db2.gz	SYKVWURLSOHXQF-LPWJVIDDSA-N	-1	0	306.362	0.472	20	30		DCEDRM
C#CCN(C)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC001588461648	983490859	/nfs/dbraw/zinc/49/08/59/983490859.db2.gz	WNSHUFGVFULELV-UHFFFAOYSA-N	-1	0	303.318	0.988	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C	ZINC001588464888	983494934	/nfs/dbraw/zinc/49/49/34/983494934.db2.gz	SHLQLOYLLJFNMS-UHFFFAOYSA-N	-1	0	316.288	0.866	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588464871	983495049	/nfs/dbraw/zinc/49/50/49/983495049.db2.gz	QZNAUJMWOFGDSH-UHFFFAOYSA-N	-1	0	304.327	0.870	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])ccc1COC	ZINC001588466143	983498571	/nfs/dbraw/zinc/49/85/71/983498571.db2.gz	XGYAACLQPYDFQR-UHFFFAOYSA-N	-1	0	322.342	0.679	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC001588491007	983535044	/nfs/dbraw/zinc/53/50/44/983535044.db2.gz	BMKKPTAGYULIFK-UHFFFAOYSA-N	-1	0	318.329	0.109	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001588491542	983536341	/nfs/dbraw/zinc/53/63/41/983536341.db2.gz	OZMGNEPMKUXYFT-UHFFFAOYSA-N	-1	0	315.322	0.794	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)NC1(CC(=O)[O-])CC1	ZINC001588505166	983549852	/nfs/dbraw/zinc/54/98/52/983549852.db2.gz	XFNFWGGFHQGDGI-UHFFFAOYSA-N	-1	0	316.313	0.761	20	30		DCEDRM
C#CCn1ccc(CN(CC)CCc2cn(CC(=O)[O-])nn2)n1	ZINC001588509777	983553608	/nfs/dbraw/zinc/55/36/08/983553608.db2.gz	NBNFAZIWHPQEQR-UHFFFAOYSA-N	-1	0	316.365	0.257	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])cn1	ZINC001588510648	983556541	/nfs/dbraw/zinc/55/65/41/983556541.db2.gz	GSYXMWAPGCGQFO-GFCCVEGCSA-N	-1	0	304.302	0.399	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)OC)cn1	ZINC001588510818	983557197	/nfs/dbraw/zinc/55/71/97/983557197.db2.gz	KLJRAXYEUUSKAY-DGCLKSJQSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1cc(F)c(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)c(F)c1	ZINC001588510988	983558123	/nfs/dbraw/zinc/55/81/23/983558123.db2.gz	QNFCDWXSRNFSMX-UHFFFAOYSA-N	-1	0	322.267	0.866	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)cc1	ZINC001588518115	983568086	/nfs/dbraw/zinc/56/80/86/983568086.db2.gz	QXLMVGGHDBHYGM-GWCFXTLKSA-N	-1	0	309.343	0.531	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1c2n(c(=O)n1C)CCCC2)C(=O)[O-]	ZINC001588543741	983612367	/nfs/dbraw/zinc/61/23/67/983612367.db2.gz	NDDMKPORRSCTAH-SNVBAGLBSA-N	-1	0	307.350	0.672	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001588548470	983624439	/nfs/dbraw/zinc/62/44/39/983624439.db2.gz	UTTOHAQMCHXRED-UPJWGTAASA-N	-1	0	312.366	0.311	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC001588570316	983651164	/nfs/dbraw/zinc/65/11/64/983651164.db2.gz	XYJYHUOHZOAOQI-WBMJQRKESA-N	-1	0	324.377	0.551	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(C(C)(C)C(=O)OC)CC1	ZINC001588615051	983709760	/nfs/dbraw/zinc/70/97/60/983709760.db2.gz	INYZPJCHCFKVNH-UHFFFAOYSA-N	-1	0	312.366	0.503	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21	ZINC001588618872	983713496	/nfs/dbraw/zinc/71/34/96/983713496.db2.gz	CVMIUACDQVVOJI-VXGBXAGGSA-N	-1	0	315.391	0.976	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O	ZINC001588624378	983731751	/nfs/dbraw/zinc/73/17/51/983731751.db2.gz	GZNSGKQYPWSHQL-ZUZCIYMTSA-N	-1	0	323.349	0.244	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccncc1C#N	ZINC001596333842	983774154	/nfs/dbraw/zinc/77/41/54/983774154.db2.gz	WOWZCODVUPIOJZ-NEPJUHHUSA-N	-1	0	302.334	0.616	20	30		DCEDRM
C=C[C@@H](C)ONC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001588687381	983870702	/nfs/dbraw/zinc/87/07/02/983870702.db2.gz	NTLSEWGIBNBSQM-BXUZGUMPSA-N	-1	0	313.354	0.063	20	30		DCEDRM
C=C[C@H](C)ONC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001588687674	983872205	/nfs/dbraw/zinc/87/22/05/983872205.db2.gz	RBLWWYXBZBNABJ-VIFPVBQESA-N	-1	0	309.326	0.829	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OCC	ZINC001588750348	984071100	/nfs/dbraw/zinc/07/11/00/984071100.db2.gz	WHBMIOHIRUBABF-VIFPVBQESA-N	-1	0	307.368	0.524	20	30		DCEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001588770994	984136739	/nfs/dbraw/zinc/13/67/39/984136739.db2.gz	KZOSOEGSNVPZNK-GARJFASQSA-N	-1	0	300.330	0.776	20	30		DCEDRM
C=CCCC(=O)NC[C@]1(O)CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001588773582	984147738	/nfs/dbraw/zinc/14/77/38/984147738.db2.gz	ADLWIKSHTVIXGB-OAHLLOKOSA-N	-1	0	320.349	0.198	20	30		DCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588782299	984171014	/nfs/dbraw/zinc/17/10/14/984171014.db2.gz	BVBZMOBCICEADK-NEPJUHHUSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1c(C)c[nH]c1CC(N)=O)C(=O)[O-]	ZINC001588794160	984224624	/nfs/dbraw/zinc/22/46/24/984224624.db2.gz	MVXOACTVENBHHV-JTQLQIEISA-N	-1	0	307.350	0.890	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)c1ccnn1CC)C(=O)[O-]	ZINC001588798748	984238266	/nfs/dbraw/zinc/23/82/66/984238266.db2.gz	QFRAFNQOGNAMRY-JTQLQIEISA-N	-1	0	301.368	0.991	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@H](C(=O)[O-])c2cccnc2)nn1	ZINC001588817231	984275478	/nfs/dbraw/zinc/27/54/78/984275478.db2.gz	FZUZDSOSZLUICE-LBPRGKRZSA-N	-1	0	301.306	0.805	20	30		DCEDRM
C=CCCn1cc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)OC)nn1	ZINC001588820127	984282385	/nfs/dbraw/zinc/28/23/85/984282385.db2.gz	RILQXNQEJFHJNP-WCQYABFASA-N	-1	0	322.365	0.692	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)C(=O)[O-]	ZINC001588850772	984379773	/nfs/dbraw/zinc/37/97/73/984379773.db2.gz	DGOOSXWJCWMONA-HZMBPMFUSA-N	-1	0	323.393	0.988	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c[nH]nc1-c1ccccn1)C(=O)[O-]	ZINC001588859250	984404409	/nfs/dbraw/zinc/40/44/09/984404409.db2.gz	FNWLJMHAHCTNDH-LBPRGKRZSA-N	-1	0	316.317	0.857	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)C(=O)OC	ZINC001588859613	984406937	/nfs/dbraw/zinc/40/69/37/984406937.db2.gz	RGEQKNWKRQZJJV-LLVKDONJSA-N	-1	0	308.290	0.254	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cn(C2CCOCC2)nn1)C(=O)[O-]	ZINC001588860016	984410235	/nfs/dbraw/zinc/41/02/35/984410235.db2.gz	GBBIYNIYYWWGNL-LBPRGKRZSA-N	-1	0	324.337	0.015	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(NC(C)=O)cn1)C(=O)[O-]	ZINC001588862324	984418517	/nfs/dbraw/zinc/41/85/17/984418517.db2.gz	VUOXVCPPMWMEMM-LBPRGKRZSA-N	-1	0	307.306	0.426	20	30		DCEDRM
C=CCOCc1nnc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1CC	ZINC001588868503	984433125	/nfs/dbraw/zinc/43/31/25/984433125.db2.gz	IHYGPVWRTHTXSD-MNOVXSKESA-N	-1	0	310.354	0.679	20	30		DCEDRM
C=CCOCCNC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588868801	984435174	/nfs/dbraw/zinc/43/51/74/984435174.db2.gz	BQCQVVIEMUJAQA-AVERBVTBSA-N	-1	0	312.366	0.901	20	30		DCEDRM
C=CCOCCNC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588868804	984435294	/nfs/dbraw/zinc/43/52/94/984435294.db2.gz	BQCQVVIEMUJAQA-MQYJIDSJSA-N	-1	0	312.366	0.901	20	30		DCEDRM
C=CCn1c(-c2ncc[nH]2)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588891324	984487527	/nfs/dbraw/zinc/48/75/27/984487527.db2.gz	IWZPYDJWXPUBTE-AWEZNQCLSA-N	-1	0	318.337	0.534	20	30		DCEDRM
C=CCn1c([C@@H](OC)C2CC2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588896184	984499638	/nfs/dbraw/zinc/49/96/38/984499638.db2.gz	QKXKZOKNDSRUKT-RYUDHWBXSA-N	-1	0	322.365	0.851	20	30		DCEDRM
C=CCn1c([C@@H]2C[C@H]2C#N)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588896735	984504332	/nfs/dbraw/zinc/50/43/32/984504332.db2.gz	LAWHVLUDQRPMII-KXNHARMFSA-N	-1	0	317.349	0.769	20	30		DCEDRM
C=CCn1c(N2CC[C@](OC)(C(=O)[O-])C2)nnc1C(C)(C)C#N	ZINC001588904199	984527649	/nfs/dbraw/zinc/52/76/49/984527649.db2.gz	KTLPRVUMRNWPDV-OAHLLOKOSA-N	-1	0	319.365	0.945	20	30		DCEDRM
C=CCn1cc(CNC(=O)Nc2nc(CC(=O)[O-])cs2)nn1	ZINC001588909021	984541941	/nfs/dbraw/zinc/54/19/41/984541941.db2.gz	FPOLARRPIVGYPQ-UHFFFAOYSA-N	-1	0	322.350	0.869	20	30		DCEDRM
C=CCn1cc(C(=O)NCc2cc(C(=O)[O-])c(C)n2C)nn1	ZINC001588910346	984548317	/nfs/dbraw/zinc/54/83/17/984548317.db2.gz	RXSRHXFCWQIDPO-UHFFFAOYSA-N	-1	0	303.322	0.739	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@H](CC2CCOCC2)C(=O)[O-])nn1	ZINC001588910332	984548488	/nfs/dbraw/zinc/54/84/88/984548488.db2.gz	RFVFKYAODKRKPS-LLVKDONJSA-N	-1	0	308.338	0.464	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001588916349	984559930	/nfs/dbraw/zinc/55/99/30/984559930.db2.gz	HKCWSNSDZXXRFZ-WCQGTBRESA-N	-1	0	320.349	0.683	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC001588916410	984560726	/nfs/dbraw/zinc/56/07/26/984560726.db2.gz	LADVQJLIRIKFFN-WOPDTQHZSA-N	-1	0	312.366	0.309	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588917878	984568229	/nfs/dbraw/zinc/56/82/29/984568229.db2.gz	GOMAWFKVEYPVLN-RHYQMDGZSA-N	-1	0	303.380	0.750	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC001588925464	984586988	/nfs/dbraw/zinc/58/69/88/984586988.db2.gz	QYWSNKDVOBLHRH-SNVBAGLBSA-N	-1	0	315.347	0.647	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC001588925893	984589991	/nfs/dbraw/zinc/58/99/91/984589991.db2.gz	ZNFAZYCWGXWTSY-GFCCVEGCSA-N	-1	0	311.359	0.579	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC001588926031	984590774	/nfs/dbraw/zinc/59/07/74/984590774.db2.gz	GMYGWLLFPMCYOX-IUCAKERBSA-N	-1	0	311.363	0.976	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588926351	984593175	/nfs/dbraw/zinc/59/31/75/984593175.db2.gz	SQENNBKDYVQNGA-LBPRGKRZSA-N	-1	0	304.302	0.214	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588927048	984596641	/nfs/dbraw/zinc/59/66/41/984596641.db2.gz	KEBRVQKNKBIQED-CRWXNKLISA-N	-1	0	320.389	0.912	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])n2)C[C@H](C)N1CC#N	ZINC001594494502	985626896	/nfs/dbraw/zinc/62/68/96/985626896.db2.gz	QTXIHKKPMODQRO-PHIMTYICSA-N	-1	0	302.334	0.838	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)NCC1(C(=O)[O-])CC1	ZINC001599974812	986072040	/nfs/dbraw/zinc/07/20/40/986072040.db2.gz	JRCUFOSEOUGUSQ-UHFFFAOYSA-N	-1	0	301.302	0.786	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1C	ZINC001589328633	986158614	/nfs/dbraw/zinc/15/86/14/986158614.db2.gz	FGMHXOWRCVAAAM-IQJOONFLSA-N	-1	0	303.322	0.275	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001589329134	986161230	/nfs/dbraw/zinc/16/12/30/986161230.db2.gz	JTMRHPASSVGMAQ-JTQLQIEISA-N	-1	0	319.317	0.707	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001589329554	986164537	/nfs/dbraw/zinc/16/45/37/986164537.db2.gz	PKMGZVNXZYHNAC-SNVBAGLBSA-N	-1	0	319.317	0.707	20	30		DCEDRM
C[C@H](C#N)C(=O)NCC1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001589329797	986167035	/nfs/dbraw/zinc/16/70/35/986167035.db2.gz	SNZAOIGAWHLTLY-SNVBAGLBSA-N	-1	0	317.349	0.667	20	30		DCEDRM
Cc1c(C(=O)[O-])cc(C=NNCCCN2CCOCC2)n1C	ZINC001599984438	986208972	/nfs/dbraw/zinc/20/89/72/986208972.db2.gz	KHUZZUWKBJHFMN-UHFFFAOYSA-N	-1	0	308.382	0.678	20	30		DCEDRM
C[C@H](C(=O)N(CCC(F)(F)F)CC(=O)[O-])n1cnc(C#N)n1	ZINC001589342700	986271792	/nfs/dbraw/zinc/27/17/92/986271792.db2.gz	QTVBNBYZANMPCG-SSDOTTSWSA-N	-1	0	319.243	0.576	20	30		DCEDRM
CCc1ccc(C#CC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1	ZINC001597494438	988035698	/nfs/dbraw/zinc/03/56/98/988035698.db2.gz	AYFCLVMJOURMKK-CABCVRRESA-N	-1	0	301.342	0.895	20	30		DCEDRM
CCc1nn(Cc2oncc2C(=O)[O-])c(=O)c(C#N)c1CC	ZINC001597724669	989021462	/nfs/dbraw/zinc/02/14/62/989021462.db2.gz	SDKPKHDFTNVIEH-UHFFFAOYSA-N	-1	0	302.290	0.974	20	30		DCEDRM
CCc1oc(C(=O)[O-])cc1Cn1c(=O)c(C#N)cn(C)c1=O	ZINC001597773149	989245451	/nfs/dbraw/zinc/24/54/51/989245451.db2.gz	RUMFFHXHNFRMOY-UHFFFAOYSA-N	-1	0	303.274	0.321	20	30		DCEDRM
CN(C(=O)Cc1ccc(C#N)nc1)[C@H](COC1CCC1)C(=O)[O-]	ZINC001598034483	990259859	/nfs/dbraw/zinc/25/98/59/990259859.db2.gz	NADKDHVBKSSQFJ-CQSZACIVSA-N	-1	0	317.345	0.976	20	30		DCEDRM
CC(C)(CS(=O)(=O)NCC1CCN(CC#N)CC1)C(=O)[O-]	ZINC001590804035	990638254	/nfs/dbraw/zinc/63/82/54/990638254.db2.gz	SUWUJTSIPUGUEA-UHFFFAOYSA-N	-1	0	317.411	0.252	20	30		DCEDRM
C[S@](=N)(=O)N1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001599742415	991878303	/nfs/dbraw/zinc/87/83/03/991878303.db2.gz	IJEPQJSCIDWNEZ-OAQYLSRUSA-N	-1	0	309.351	0.365	20	30		DCEDRM
CC(C)C[C@H](NC(=O)COC(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001591173213	991963666	/nfs/dbraw/zinc/96/36/66/991963666.db2.gz	DURNACZIVXXFEL-JTQLQIEISA-N	-1	0	308.290	0.924	20	30		DCEDRM
CN(CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1c[nH]c(C#N)c1	ZINC001598486577	992214731	/nfs/dbraw/zinc/21/47/31/992214731.db2.gz	RHEGUZLSKPPQGH-NWDGAFQWSA-N	-1	0	318.333	0.137	20	30		DCEDRM
CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)C#N	ZINC001598646265	994377316	/nfs/dbraw/zinc/37/73/16/994377316.db2.gz	RBFDJJUZFDFBFY-UHFFFAOYSA-N	-1	0	319.317	0.998	20	30		DCEDRM
COc1cccc(CS(=O)(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001599676103	994899893	/nfs/dbraw/zinc/89/98/93/994899893.db2.gz	GMWTZQNMXBKPKT-UHFFFAOYSA-N	-1	0	312.347	0.825	20	30		DCEDRM
C[C@@](O)(CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C(=O)[O-]	ZINC001593399578	995155445	/nfs/dbraw/zinc/15/54/45/995155445.db2.gz	VBFJQBQVFPMTER-XJKSGUPXSA-N	-1	0	317.345	0.479	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CC[C@@](O)(CC#N)C1	ZINC001598711550	995355259	/nfs/dbraw/zinc/35/52/59/995355259.db2.gz	HPHWLAAMZZXMSH-BBRMVZONSA-N	-1	0	318.329	0.949	20	30		DCEDRM
C[C@@H](OC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)NCC(=O)[O-]	ZINC001593486272	995450915	/nfs/dbraw/zinc/45/09/15/995450915.db2.gz	YBZYFGFVUWMPEF-NXEZZACHSA-N	-1	0	320.301	0.458	20	30		DCEDRM
N#C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(Cl)cc1	ZINC001464841640	1015953988	/nfs/dbraw/zinc/95/39/88/1015953988.db2.gz	ZJUJLTFOUYBHSK-QMMMGPOBSA-N	-1	0	305.681	0.931	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1c[nH]c(C#N)c1	ZINC001598747130	995605836	/nfs/dbraw/zinc/60/58/36/995605836.db2.gz	WGRWADBPBAZIFE-LDYMZIIASA-N	-1	0	305.290	0.365	20	30		DCEDRM
C[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)C(=O)NCC(=O)[O-]	ZINC001593573223	995671485	/nfs/dbraw/zinc/67/14/85/995671485.db2.gz	PZZUAGZCCWGUHM-SSDOTTSWSA-N	-1	0	310.693	0.958	20	30		DCEDRM
C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001593606754	995786084	/nfs/dbraw/zinc/78/60/84/995786084.db2.gz	WJTPKMQQCLTEII-RYUDHWBXSA-N	-1	0	310.350	0.787	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C#N)n2C)C1	ZINC001598769019	995865696	/nfs/dbraw/zinc/86/56/96/995865696.db2.gz	COYJXASCFOLIJA-CABZTGNLSA-N	-1	0	319.317	0.375	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)NCC2(C#N)CCC2)C[C@@H]1C(=O)[O-]	ZINC001598805751	996184774	/nfs/dbraw/zinc/18/47/74/996184774.db2.gz	AGALZVUIUXJUOW-UWVGGRQHSA-N	-1	0	309.322	0.195	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])C1	ZINC001593739620	996353764	/nfs/dbraw/zinc/35/37/64/996353764.db2.gz	JBZSZHMRBDJCJB-XHDPSFHLSA-N	-1	0	307.350	0.604	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@H]2CCCS2)c(=O)[n-]c1=O	ZINC001466072320	1016049085	/nfs/dbraw/zinc/04/90/85/1016049085.db2.gz	JAZZXVXCAZHDIZ-SNVBAGLBSA-N	-1	0	308.363	0.222	20	30		DCEDRM
COC(=O)CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598853364	996622318	/nfs/dbraw/zinc/62/23/18/996622318.db2.gz	DDHYOFPDAQCRTL-UHFFFAOYSA-N	-1	0	312.303	0.098	20	30		DCEDRM
COC(=O)CC[C@@H](NC(=O)c1cc(C#N)ccc1F)C(=O)[O-]	ZINC001598857052	996647126	/nfs/dbraw/zinc/64/71/26/996647126.db2.gz	QCDCTFAAGIREOJ-LLVKDONJSA-N	-1	0	308.265	0.834	20	30		DCEDRM
COCC1(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCOCC1	ZINC001599187118	997046665	/nfs/dbraw/zinc/04/66/65/997046665.db2.gz	NQVKFJKAIKWSJD-UHFFFAOYSA-N	-1	0	310.350	0.647	20	30		DCEDRM
COCc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)C#N	ZINC001599290513	997056286	/nfs/dbraw/zinc/05/62/86/997056286.db2.gz	BWMAJVVOMWKQAX-SECBINFHSA-N	-1	0	312.347	0.969	20	30		DCEDRM
COc1cc(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])ccc1C#N	ZINC001599415215	997495488	/nfs/dbraw/zinc/49/54/88/997495488.db2.gz	KVLCJVHIMFDEQU-SECBINFHSA-N	-1	0	312.347	0.707	20	30		DCEDRM
COc1ccc([C@@H](NCC(=O)NCCC#N)C(=O)[O-])cc1O	ZINC001599526134	997562325	/nfs/dbraw/zinc/56/23/25/997562325.db2.gz	FKAIFEXGHSGXKB-CYBMUJFWSA-N	-1	0	307.306	0.146	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CN1CCC[C@H](CC#N)C1	ZINC001598925889	997645217	/nfs/dbraw/zinc/64/52/17/997645217.db2.gz	GHHDQNRKVJZMKS-SNVBAGLBSA-N	-1	0	306.322	0.951	20	30		DCEDRM
COCCC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CCN(CC#N)CC1	ZINC001599220301	997655406	/nfs/dbraw/zinc/65/54/06/997655406.db2.gz	XSXDKTJYKCGFBA-NWDGAFQWSA-N	-1	0	309.366	0.218	20	30		DCEDRM
COCCN(CC#N)C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001599231907	997874932	/nfs/dbraw/zinc/87/49/32/997874932.db2.gz	YXVBCKZMJIYUOL-OLZOCXBDSA-N	-1	0	309.366	0.170	20	30		DCEDRM
CO[C@H]1CN(C(=O)c2cc(O)cc(C#N)c2)[C@](C)(C(=O)[O-])C1	ZINC001599130684	997937398	/nfs/dbraw/zinc/93/73/98/997937398.db2.gz	POVIETUJXMCBAH-DOMZBBRYSA-N	-1	0	304.302	0.968	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC001599349635	998070716	/nfs/dbraw/zinc/07/07/16/998070716.db2.gz	ZACRQAHVUYPHSI-HNNXBMFYSA-N	-1	0	304.302	0.930	20	30		DCEDRM
COCC(=O)N(C)CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001599141181	998132951	/nfs/dbraw/zinc/13/29/51/998132951.db2.gz	KBWVOWDWICSVKR-CQSZACIVSA-N	-1	0	320.301	0.332	20	30		DCEDRM
CC[C@]1(C)NC(=O)N(NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1=O	ZINC001467662990	1016189615	/nfs/dbraw/zinc/18/96/15/1016189615.db2.gz	JLOSDLPWYATZTG-AWEZNQCLSA-N	-1	0	317.305	0.333	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(C#CCO)c1	ZINC001599150204	998283791	/nfs/dbraw/zinc/28/37/91/998283791.db2.gz	XOUZFAOVNNWNOY-MRXNPFEDSA-N	-1	0	305.330	0.640	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)NC(C)(C)C(=O)[O-]	ZINC001599476682	998543704	/nfs/dbraw/zinc/54/37/04/998543704.db2.gz	JEYNBMCVKSFYQU-UHFFFAOYSA-N	-1	0	305.290	0.485	20	30		DCEDRM
COC(=O)c1cccc([C@@H](C(=O)[O-])N2CCO[C@@H](C#N)C2)c1	ZINC001598998613	998803461	/nfs/dbraw/zinc/80/34/61/998803461.db2.gz	QTTIJFJSPAJKOT-STQMWFEESA-N	-1	0	304.302	0.823	20	30		DCEDRM
CCOC(=O)C[C@@H](CO)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001468557734	1016263133	/nfs/dbraw/zinc/26/31/33/1016263133.db2.gz	JAYIODFDRGQBDH-JTQLQIEISA-N	-1	0	307.306	0.011	20	30		DCEDRM
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C(=O)O1	ZINC001594265085	999025500	/nfs/dbraw/zinc/02/55/00/999025500.db2.gz	ZDTVVWSKWXYCPH-XVKPBYJWSA-N	-1	0	324.314	0.239	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCCN2c2ncccn2)[n-]c1C#N	ZINC001469565413	1016346399	/nfs/dbraw/zinc/34/63/99/1016346399.db2.gz	CWKBNCCYPYIWNU-NSHDSACASA-N	-1	0	308.305	0.551	20	30		DCEDRM
Cc1ccc(CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001470361484	1016425050	/nfs/dbraw/zinc/42/50/50/1016425050.db2.gz	REXNSTTVEJYKEH-UHFFFAOYSA-N	-1	0	302.290	0.081	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc3cc[nH]c3c2)c(=O)[n-]c1=O	ZINC001470361585	1016426098	/nfs/dbraw/zinc/42/60/98/1016426098.db2.gz	UVRLSCISLCBYNM-UHFFFAOYSA-N	-1	0	323.312	0.732	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)c2cn(C(F)(F)CO)nn2)c1	ZINC001471089892	1016526192	/nfs/dbraw/zinc/52/61/92/1016526192.db2.gz	ZXBHDILCTOWZIF-UHFFFAOYSA-N	-1	0	309.232	0.415	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@](C)(CO)[C@](C)(CO)C1	ZINC001471097794	1016527275	/nfs/dbraw/zinc/52/72/75/1016527275.db2.gz	BUDGKZUSDOJKLX-IYBDPMFKSA-N	-1	0	319.361	0.420	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)NC(C)(C)Cc1ccc(C#N)cc1	ZINC001471481453	1016588628	/nfs/dbraw/zinc/58/86/28/1016588628.db2.gz	MATGTZIOUSYQAS-UHFFFAOYSA-N	-1	0	304.350	0.856	20	30		DCEDRM
C=C(Cl)CN(CCC)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001420594090	1002664476	/nfs/dbraw/zinc/66/44/76/1002664476.db2.gz	KQIFLKFHYHBCKE-UHFFFAOYSA-N	-1	0	315.761	0.477	20	30		DCEDRM
COC[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1nnn[n-]1	ZINC001471845398	1016667342	/nfs/dbraw/zinc/66/73/42/1016667342.db2.gz	MAIDSPWGUWRNFL-JTQLQIEISA-N	-1	0	306.713	0.842	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](CO)[C@@H](CCO)C1	ZINC001420680001	1002793894	/nfs/dbraw/zinc/79/38/94/1002793894.db2.gz	PPAHBNGXWNQQAE-CMPLNLGQSA-N	-1	0	305.334	0.030	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2ncc(Br)s2)c1=O	ZINC001421411717	1003621646	/nfs/dbraw/zinc/62/16/46/1003621646.db2.gz	WNPQOQRSFBJINL-UHFFFAOYSA-N	-1	0	313.136	0.676	20	30		DCEDRM
CC[S@](=O)[C@@H]1CCC[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001472715178	1016849253	/nfs/dbraw/zinc/84/92/53/1016849253.db2.gz	PJXZDWZHZKIKBZ-QKESZYPNSA-N	-1	0	324.406	0.437	20	30		DCEDRM
CC[C@H]1CCC[C@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001427176174	1004241460	/nfs/dbraw/zinc/24/14/60/1004241460.db2.gz	RDJIGKUHABPUNO-CMPLNLGQSA-N	-1	0	319.365	0.698	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001514573104	1016977511	/nfs/dbraw/zinc/97/75/11/1016977511.db2.gz	BKTJIONDYUEWFN-NSHDSACASA-N	-1	0	322.365	0.299	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCc2nnc[nH]2)cc1C#N	ZINC001417643081	1005858949	/nfs/dbraw/zinc/85/89/49/1005858949.db2.gz	SWDJJRHLEGKTIV-UHFFFAOYSA-N	-1	0	304.335	0.471	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)c(=O)[n-]c1=O	ZINC001417657731	1005861754	/nfs/dbraw/zinc/86/17/54/1005861754.db2.gz	WOYJXPZLBOKBRB-ZJUUUORDSA-N	-1	0	324.287	0.324	20	30		DCEDRM
CCn1[n-]nnc1=NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	ZINC001436239089	1006102665	/nfs/dbraw/zinc/10/26/65/1006102665.db2.gz	LCFGQWFKFAPZIY-UHFFFAOYSA-N	-1	0	322.332	0.733	20	30		DCEDRM
CC[C@@H](C)C[C@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001418163976	1006120011	/nfs/dbraw/zinc/12/00/11/1006120011.db2.gz	PSVAQPCURUJPLD-ZYHUDNBSSA-N	-1	0	322.365	0.124	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001506117102	1017035462	/nfs/dbraw/zinc/03/54/62/1017035462.db2.gz	VLLZIGZTCZYQDT-CQSZACIVSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)o2)CC1	ZINC001574097982	1163635465	/nfs/dbraw/zinc/63/54/65/1163635465.db2.gz	VYGGFNWNCYKKJB-OAQYLSRUSA-N	-1	0	310.331	0.589	20	30		DCEDRM
C=CC[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)OCC	ZINC001475185206	1017073982	/nfs/dbraw/zinc/07/39/82/1017073982.db2.gz	OZGXYOYSDGWPKS-JTQLQIEISA-N	-1	0	324.424	0.590	20	30		DCEDRM
CC[C@H]1C[C@@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001453842620	1008755167	/nfs/dbraw/zinc/75/51/67/1008755167.db2.gz	MIPAXXNENFNBOE-JQWIXIFHSA-N	-1	0	320.349	0.142	20	30		DCEDRM
CCN(C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)[C@H](C)C#N	ZINC001454027811	1008862498	/nfs/dbraw/zinc/86/24/98/1008862498.db2.gz	GQXMMKKDPQNLRL-SECBINFHSA-N	-1	0	301.306	0.640	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@@H]2Cc3ccccc32)c(=O)[n-]c1=O	ZINC001433612586	1009000858	/nfs/dbraw/zinc/00/08/58/1009000858.db2.gz	IIJXRNNBJGBWRT-LBPRGKRZSA-N	-1	0	324.340	0.667	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(c2cccnn2)CC1	ZINC001433635839	1009026956	/nfs/dbraw/zinc/02/69/56/1009026956.db2.gz	QVRJWSFGYXGXPM-UHFFFAOYSA-N	-1	0	324.344	0.720	20	30		DCEDRM
C[C@@H]1C[C@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H](C)O1	ZINC001434095277	1009553801	/nfs/dbraw/zinc/55/38/01/1009553801.db2.gz	HKJQURTZPHOHJA-GMTAPVOTSA-N	-1	0	320.349	0.140	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2sccc2F)c(=O)[n-]c1=O	ZINC001434205302	1009660342	/nfs/dbraw/zinc/66/03/42/1009660342.db2.gz	ANJDZYRDLLGGJT-UHFFFAOYSA-N	-1	0	308.294	0.451	20	30		DCEDRM
C[C@]1(C#N)CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CCO1	ZINC001434401688	1009907191	/nfs/dbraw/zinc/90/71/91/1009907191.db2.gz	ZQMMBOKFBQDEAQ-HNNXBMFYSA-N	-1	0	314.301	0.785	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN[C@H](CCO)C(F)(F)F)cc2=O	ZINC001434488501	1010021700	/nfs/dbraw/zinc/02/17/00/1010021700.db2.gz	KOCXGDXMXVLVLL-SECBINFHSA-N	-1	0	315.255	0.709	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H](C#N)C2CCCCC2)c(=O)[n-]c1=O	ZINC001444943147	1011227882	/nfs/dbraw/zinc/22/78/82/1011227882.db2.gz	GXJDQQZVZQTLRR-GFCCVEGCSA-N	-1	0	315.333	0.409	20	30		DCEDRM
CS(=O)(=O)c1cc(C([O-])=C(C#N)C(=O)NC2CC2)ccc1F	ZINC001515146464	1017103271	/nfs/dbraw/zinc/10/32/71/1017103271.db2.gz	RVAFDFPHYRRCBV-SNVBAGLBSA-N	-1	0	324.333	0.830	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H](O)c2ccccc2F)c(C#N)c1=O	ZINC001458078457	1012070046	/nfs/dbraw/zinc/07/00/46/1012070046.db2.gz	INESCYDFKIASHT-LLVKDONJSA-N	-1	0	304.281	0.230	20	30		DCEDRM
COC(=O)CCC1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001458232085	1012111806	/nfs/dbraw/zinc/11/18/06/1012111806.db2.gz	NAVLYRGRCUMOSS-UHFFFAOYSA-N	-1	0	320.349	0.115	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc3[nH]c(=O)[nH]c3c2)c(C#N)c1=O	ZINC001458279658	1012127889	/nfs/dbraw/zinc/12/78/89/1012127889.db2.gz	PQQJINZBSUOBDJ-UHFFFAOYSA-N	-1	0	312.289	0.139	20	30		DCEDRM
CCCCSCCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001557599954	1012283855	/nfs/dbraw/zinc/28/38/55/1012283855.db2.gz	GZKVDFLMNLOEMD-UHFFFAOYSA-N	-1	0	324.406	0.860	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCOCC2CCOCC2)c(C#N)c1=O	ZINC001559114153	1012406765	/nfs/dbraw/zinc/40/67/65/1012406765.db2.gz	KBXXDXFDJPUQEA-UHFFFAOYSA-N	-1	0	322.365	0.190	20	30		DCEDRM
O=C(NCCNC(=O)C1N=CC=CC1=O)c1cccc(F)c1[O-]	ZINC001542978555	1012497342	/nfs/dbraw/zinc/49/73/42/1012497342.db2.gz	SBIMIQGAFCSTIE-QINSGFPZSA-N	-1	0	319.292	0.788	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](NC(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC001432908526	1012989382	/nfs/dbraw/zinc/98/93/82/1012989382.db2.gz	LBMKPGTWPTYAAV-FBIMIBRVSA-N	-1	0	319.365	0.741	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NOC2CCCCC2)c(=O)[n-]c1=O	ZINC001478478211	1017350876	/nfs/dbraw/zinc/35/08/76/1017350876.db2.gz	GCENHWNOMBSBSA-UHFFFAOYSA-N	-1	0	321.337	0.384	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001506810520	1017575077	/nfs/dbraw/zinc/57/50/77/1017575077.db2.gz	IGTHFZHMJWLTPI-CNDDSTCGSA-N	-1	0	319.409	0.907	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@](C)(NC(=O)[C@@H](C)C#N)C2CC2)c1[O-]	ZINC001499694837	1018042117	/nfs/dbraw/zinc/04/21/17/1018042117.db2.gz	NFBYAIUUJXLWCG-AYVTZFPOSA-N	-1	0	319.365	0.598	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001501489140	1019232727	/nfs/dbraw/zinc/23/27/27/1019232727.db2.gz	IOSHUDMFWNEEPN-JTQLQIEISA-N	-1	0	324.381	0.233	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H]1CCN(CC#N)C1	ZINC001493267183	1019268373	/nfs/dbraw/zinc/26/83/73/1019268373.db2.gz	NOWYBFMXFURUAF-VIFPVBQESA-N	-1	0	320.315	0.405	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001499027617	1019662505	/nfs/dbraw/zinc/66/25/05/1019662505.db2.gz	DANJABNPQKASRP-IAQYHMDHSA-N	-1	0	323.397	0.430	20	30		DCEDRM
N#Cc1ccsc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC001608222642	1170617959	/nfs/dbraw/zinc/61/79/59/1170617959.db2.gz	GFNXTYRIQKWYSV-IUCAKERBSA-N	-1	0	307.331	0.928	20	30		DCEDRM
N#CC[C@@]1(O)CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1	ZINC001610621171	1171271763	/nfs/dbraw/zinc/27/17/63/1171271763.db2.gz	YYYUVEMAOKQJJP-LLVKDONJSA-N	-1	0	316.360	0.485	20	30		DCEDRM
CN(CCC#N)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000339252577	529867713	/nfs/dbraw/zinc/86/77/13/529867713.db2.gz	AOQHTKSEFPQZQV-UHFFFAOYSA-N	-1	0	317.317	0.615	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000263082186	238184845	/nfs/dbraw/zinc/18/48/45/238184845.db2.gz	BLGQVDNJXJEXPS-HBNTYKKESA-N	-1	0	303.384	0.365	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000263569517	238186530	/nfs/dbraw/zinc/18/65/30/238186530.db2.gz	ZKXCHVWTHXVKIQ-SNVBAGLBSA-N	-1	0	311.363	0.811	20	30		DCEDRM
Cc1nc(CCNS(=O)(=O)CCCC#N)sc1C(=O)[O-]	ZINC000274995915	238304375	/nfs/dbraw/zinc/30/43/75/238304375.db2.gz	ADMYDNFOZIMCKS-UHFFFAOYSA-N	-1	0	317.392	0.915	20	30		DCEDRM
C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(C#N)cc1	ZINC000420532894	240042277	/nfs/dbraw/zinc/04/22/77/240042277.db2.gz	QSDRWEVYWWJTOL-GXFFZTMASA-N	-1	0	315.329	0.669	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1	ZINC000422665560	240175745	/nfs/dbraw/zinc/17/57/45/240175745.db2.gz	YJWDPWXQYNVBIJ-LBPRGKRZSA-N	-1	0	301.302	0.881	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])nn1	ZINC000425229836	240321546	/nfs/dbraw/zinc/32/15/46/240321546.db2.gz	BOQGHQDZVUMLKY-ZETCQYMHSA-N	-1	0	306.244	0.990	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CC(=O)N2C	ZINC000275354015	212286991	/nfs/dbraw/zinc/28/69/91/212286991.db2.gz	UAKRPRMAEDOYCT-UHFFFAOYSA-N	-1	0	324.358	0.467	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N[C@@H](Cc2ccco2)C(=O)[O-])c1	ZINC000567553453	291360613	/nfs/dbraw/zinc/36/06/13/291360613.db2.gz	UVBQFIKANDIZHB-LBPRGKRZSA-N	-1	0	321.314	0.520	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)N(Cc2ccccc2)C2CC2)c1=O	ZINC000567860348	291385074	/nfs/dbraw/zinc/38/50/74/291385074.db2.gz	ILYQTLJVVOQZKH-UHFFFAOYSA-N	-1	0	324.340	0.599	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCNC(=O)C(C)C)cc1C#N	ZINC000031897634	395708371	/nfs/dbraw/zinc/70/83/71/395708371.db2.gz	IAPZKJZRJVZHFN-UHFFFAOYSA-N	-1	0	322.390	0.883	20	30		DCEDRM
N#Cc1cccc(OC2CCN(C(=O)c3nc(=O)[nH][n-]3)CC2)c1	ZINC000104918421	395779121	/nfs/dbraw/zinc/77/91/21/395779121.db2.gz	DTLPKUVXWZRECO-UHFFFAOYSA-N	-1	0	313.317	0.653	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1C#N	ZINC000273367513	395916243	/nfs/dbraw/zinc/91/62/43/395916243.db2.gz	GEMQFUXGDWQDIQ-SECBINFHSA-N	-1	0	322.350	0.549	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000263196325	396206151	/nfs/dbraw/zinc/20/61/51/396206151.db2.gz	LWLNDUHXPOQOGF-ZJUUUORDSA-N	-1	0	309.347	0.685	20	30		DCEDRM
C=CCNC(=O)C[N-]S(=O)(=O)c1c(F)cc(F)cc1F	ZINC000180255480	396232076	/nfs/dbraw/zinc/23/20/76/396232076.db2.gz	FHROXQHUHDQFHG-UHFFFAOYSA-N	-1	0	308.281	0.684	20	30		DCEDRM
C[C@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@H](C(=O)[O-])C1	ZINC000290653689	396468883	/nfs/dbraw/zinc/46/88/83/396468883.db2.gz	NFBAFEWZOLZYGF-CABZTGNLSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(=O)[O-]	ZINC000594528084	396484008	/nfs/dbraw/zinc/48/40/08/396484008.db2.gz	JSWNDABFQFUSRE-NSHDSACASA-N	-1	0	317.349	0.506	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1c[nH]c2ncccc12)C(=O)[O-]	ZINC000541927253	396611021	/nfs/dbraw/zinc/61/10/21/396611021.db2.gz	FTEGNPWXUNKXAQ-SNVBAGLBSA-N	-1	0	307.331	0.708	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O	ZINC000586660531	396662526	/nfs/dbraw/zinc/66/25/26/396662526.db2.gz	BBIWUILSFVLLBE-UHFFFAOYSA-N	-1	0	305.319	0.375	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)cn2)o1	ZINC000588945017	396700150	/nfs/dbraw/zinc/70/01/50/396700150.db2.gz	KCWXGDQDBVXBQS-UHFFFAOYSA-N	-1	0	316.302	0.928	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000595992808	396704605	/nfs/dbraw/zinc/70/46/05/396704605.db2.gz	VHLZELURMLIJQJ-LLVKDONJSA-N	-1	0	309.366	0.708	20	30		DCEDRM
Cc1nc(NC(=O)c2n[nH]c(=O)[n-]c2=O)sc1SCC#N	ZINC000589835267	396725119	/nfs/dbraw/zinc/72/51/19/396725119.db2.gz	IIQZGXDBIZVIMF-UHFFFAOYSA-N	-1	0	324.347	0.916	20	30		DCEDRM
C[C@H](C#N)N(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)C1CC1	ZINC000600095375	396735486	/nfs/dbraw/zinc/73/54/86/396735486.db2.gz	PICKWMNXKFUNDI-SECBINFHSA-N	-1	0	308.363	0.970	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])o1	ZINC000590601626	396810633	/nfs/dbraw/zinc/81/06/33/396810633.db2.gz	MIALBOWGNLMVPV-LLVKDONJSA-N	-1	0	321.314	0.520	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000591269341	396892228	/nfs/dbraw/zinc/89/22/28/396892228.db2.gz	IUCZTCVZWALJRZ-GFCCVEGCSA-N	-1	0	307.281	0.692	20	30		DCEDRM
CO[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)[C@](C)(C(=O)[O-])C1	ZINC000600658593	396908313	/nfs/dbraw/zinc/90/83/13/396908313.db2.gz	LCJFWDCZAJGAJQ-RISCZKNCSA-N	-1	0	324.358	0.811	20	30		DCEDRM
C=CCN(C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000634869843	396927360	/nfs/dbraw/zinc/92/73/60/396927360.db2.gz	UZKNEEAPLIEWMZ-TUAOUCFPSA-N	-1	0	315.391	0.689	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)C1	ZINC000591691994	396978911	/nfs/dbraw/zinc/97/89/11/396978911.db2.gz	FTJFENJRGDCLAB-GXFFZTMASA-N	-1	0	315.329	0.809	20	30		DCEDRM
CC(C)[C@@H](C#N)NS(=O)(=O)c1ccccc1S(N)(=O)=O	ZINC000349450202	397073961	/nfs/dbraw/zinc/07/39/61/397073961.db2.gz	LSJHJLJFESLORX-SECBINFHSA-N	-1	0	317.392	0.160	20	30		DCEDRM
C=C(C)COCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000612435707	397055480	/nfs/dbraw/zinc/05/54/80/397055480.db2.gz	HAWCJXHMDQNBBI-UHFFFAOYSA-N	-1	0	314.363	0.362	20	30		DCEDRM
COCC[C@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000619470331	397135234	/nfs/dbraw/zinc/13/52/34/397135234.db2.gz	JBOVNUFMMPNNBK-LBPRGKRZSA-N	-1	0	312.347	0.521	20	30		DCEDRM
CN(CC1CCCCC1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602052637	397291537	/nfs/dbraw/zinc/29/15/37/397291537.db2.gz	MCUAJWUCIIFUPF-UHFFFAOYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
CC(C)[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602102188	397300767	/nfs/dbraw/zinc/30/07/67/397300767.db2.gz	LPRXYVRXRXSVEB-LBPRGKRZSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CCC[C@H]1SCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602105757	397302253	/nfs/dbraw/zinc/30/22/53/397302253.db2.gz	WXJCSKKZSOHVLX-GFCCVEGCSA-N	-1	0	322.390	0.912	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CC[C@H]3CCC[C@@H]32)c(=O)[n-]c1=O	ZINC000602139915	397317627	/nfs/dbraw/zinc/31/76/27/397317627.db2.gz	NWNCADGROQMIOP-PWSUYJOCSA-N	-1	0	302.334	0.612	20	30		DCEDRM
C=CCSCC[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599226356	397368957	/nfs/dbraw/zinc/36/89/57/397368957.db2.gz	VMBRPAGYKFOJBI-UHFFFAOYSA-N	-1	0	306.365	0.659	20	30		DCEDRM
C[C@H]1CCCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602144490	397319962	/nfs/dbraw/zinc/31/99/62/397319962.db2.gz	QYPQOHNIHKRECS-NSHDSACASA-N	-1	0	304.350	0.859	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnn2c1C[C@@H](C)CC2)C(=O)[O-]	ZINC000578896231	397501228	/nfs/dbraw/zinc/50/12/28/397501228.db2.gz	WVBPOOQWZYWPTG-JQWIXIFHSA-N	-1	0	307.350	0.851	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)[N-]OCC(N)=O	ZINC000496114463	397573651	/nfs/dbraw/zinc/57/36/51/397573651.db2.gz	KBQLLSSSMJNVBC-VIFPVBQESA-N	-1	0	314.342	0.107	20	30		DCEDRM
N#CCCCCS(=O)(=O)N1CCc2onc(C(=O)[O-])c2C1	ZINC000579038555	397518153	/nfs/dbraw/zinc/51/81/53/397518153.db2.gz	IMGSXFUXEDYASJ-UHFFFAOYSA-N	-1	0	313.335	0.755	20	30		DCEDRM
COC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000494502698	397531619	/nfs/dbraw/zinc/53/16/19/397531619.db2.gz	GKQZMYUTBQPVSL-SNVBAGLBSA-N	-1	0	317.367	0.215	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1C(N)=O	ZINC000076839249	158066091	/nfs/dbraw/zinc/06/60/91/158066091.db2.gz	CTIGVJVXWHGLOA-UHFFFAOYSA-N	-1	0	322.321	0.936	20	30		DCEDRM
C[C@](O)(CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000126081048	158261701	/nfs/dbraw/zinc/26/17/01/158261701.db2.gz	JFJDIFZSGGSNHA-NSHDSACASA-N	-1	0	318.738	0.326	20	30		DCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000262378031	158806026	/nfs/dbraw/zinc/80/60/26/158806026.db2.gz	YJFHKYAQLUAYCJ-MEBBXXQBSA-N	-1	0	304.302	0.685	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000408253535	160070152	/nfs/dbraw/zinc/07/01/52/160070152.db2.gz	HWPLWBDQWVKGFR-JTQLQIEISA-N	-1	0	312.347	0.946	20	30		DCEDRM
C[C@H](CC(N)=O)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000342582168	415216186	/nfs/dbraw/zinc/21/61/86/415216186.db2.gz	GFFWJUSDXRDTCI-ZCFIWIBFSA-N	-1	0	303.290	0.379	20	30		DCEDRM
C[C@H](C(=O)N=c1nc(C(C)(C)C)[n-]s1)n1cnc(C#N)n1	ZINC000336942811	415870582	/nfs/dbraw/zinc/87/05/82/415870582.db2.gz	ZQSWYLJVVMSYHN-SSDOTTSWSA-N	-1	0	305.367	0.920	20	30		DCEDRM
N#Cc1cnc(N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c([N+](=O)[O-])c1	ZINC000296716935	415935704	/nfs/dbraw/zinc/93/57/04/415935704.db2.gz	GYGIGJQILIJWMC-SECBINFHSA-N	-1	0	316.277	0.922	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2ccc3nncn3c2)c1	ZINC000357373312	416069861	/nfs/dbraw/zinc/06/98/61/416069861.db2.gz	RAAMOQZJUFFBEX-UHFFFAOYSA-N	-1	0	300.303	0.797	20	30		DCEDRM
Cc1cc(C/N=C(/[O-])c2cnc3n(c2=O)CCS3)n(C)n1	ZINC000328864982	416136029	/nfs/dbraw/zinc/13/60/29/416136029.db2.gz	BPKDNXNVBREYLI-UHFFFAOYSA-N	-1	0	305.363	0.896	20	30		DCEDRM
CC(C)N1CC[C@@H](NC(=O)c2cccn3c([O-])nnc23)C1=O	ZINC000329361440	416166144	/nfs/dbraw/zinc/16/61/44/416166144.db2.gz	YOYYPKLNGKRALU-SNVBAGLBSA-N	-1	0	303.322	0.749	20	30		DCEDRM
N#Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)cnc1C(F)(F)F	ZINC000341801799	416236229	/nfs/dbraw/zinc/23/62/29/416236229.db2.gz	XQGXZLIYCKSQLD-UHFFFAOYSA-N	-1	0	312.211	0.726	20	30		DCEDRM
Cn1cc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])nn1	ZINC000359476160	416347725	/nfs/dbraw/zinc/34/77/25/416347725.db2.gz	VKPXDBDSWXOIAW-UHFFFAOYSA-N	-1	0	308.279	0.396	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC(C)(C)c1nnn[n-]1	ZINC000359785067	416358878	/nfs/dbraw/zinc/35/88/78/416358878.db2.gz	JRSAOEBYBHCFSS-SECBINFHSA-N	-1	0	300.322	0.890	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2ccnc(C#N)c2)C1=O	ZINC000416445873	416369753	/nfs/dbraw/zinc/36/97/53/416369753.db2.gz	NDEKKOHIBIYYOJ-QWHCGFSZSA-N	-1	0	302.334	0.497	20	30		DCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)NC(C)(C)c1nnn[n-]1	ZINC000359802538	416359650	/nfs/dbraw/zinc/35/96/50/416359650.db2.gz	UFJRALUTDHBZPH-VIFPVBQESA-N	-1	0	300.322	0.890	20	30		DCEDRM
C#CCN1CCN(C(=O)CSc2nc(C(=O)OC)c[nH]2)CC1	ZINC000491750951	416623690	/nfs/dbraw/zinc/62/36/90/416623690.db2.gz	TWUKWTYRHVUTRH-UHFFFAOYSA-N	-1	0	322.390	0.066	20	30		DCEDRM
CCC(CC)(CNS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000424364974	416638464	/nfs/dbraw/zinc/63/84/64/416638464.db2.gz	FRARHAWVTSTRTQ-SNVBAGLBSA-N	-1	0	305.400	0.946	20	30		DCEDRM
Cc1c([C@H](NS(=O)(=O)CC2(C#N)CC2)C(=O)[O-])cnn1C	ZINC000518859128	416880128	/nfs/dbraw/zinc/88/01/28/416880128.db2.gz	OTEVVRGQERNXDX-JTQLQIEISA-N	-1	0	312.351	0.077	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@@H]1C(=O)[O-]	ZINC000564987413	416903158	/nfs/dbraw/zinc/90/31/58/416903158.db2.gz	VTMIORXNKZKJES-KXNHARMFSA-N	-1	0	307.350	0.364	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CCC(C(=O)[O-])CC1	ZINC000565057612	416917775	/nfs/dbraw/zinc/91/77/75/416917775.db2.gz	HSNLQMZLUXKKCJ-UNXYVOJBSA-N	-1	0	317.411	0.946	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@H](Cn1nc(C)cc1C)C(=O)[O-]	ZINC000566313530	417046403	/nfs/dbraw/zinc/04/64/03/417046403.db2.gz	XOHCNOKTMKFTQC-LLVKDONJSA-N	-1	0	301.368	0.449	20	30		DCEDRM
CC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1OC)C(=O)[O-]	ZINC000569836094	417300392	/nfs/dbraw/zinc/30/03/92/417300392.db2.gz	YIYLPSUMKILLEO-SECBINFHSA-N	-1	0	305.290	0.485	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)N(CCC)CCC)C(=O)[O-]	ZINC000570799190	417392880	/nfs/dbraw/zinc/39/28/80/417392880.db2.gz	SMSNKIJIUJWCCZ-NSHDSACASA-N	-1	0	308.400	0.599	20	30		DCEDRM
C=C(C)COCCNC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000572442687	417459290	/nfs/dbraw/zinc/45/92/90/417459290.db2.gz	YLORMYCPAPRZQK-RYUDHWBXSA-N	-1	0	300.355	0.758	20	30		DCEDRM
CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000530140862	417541820	/nfs/dbraw/zinc/54/18/20/417541820.db2.gz	MEWJIHAPWGUNKD-UHFFFAOYSA-N	-1	0	315.395	0.101	20	30		DCEDRM
C=CCCC1(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CC1	ZINC000530271382	417561429	/nfs/dbraw/zinc/56/14/29/417561429.db2.gz	HJTAALGZXFRWSU-UHFFFAOYSA-N	-1	0	314.345	0.950	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000646160577	417792226	/nfs/dbraw/zinc/79/22/26/417792226.db2.gz	XQOSDIWSFBDVKZ-NEPJUHHUSA-N	-1	0	312.366	0.901	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C1(n2cnnn2)CCCCC1)C(=O)[O-]	ZINC000652071012	417843210	/nfs/dbraw/zinc/84/32/10/417843210.db2.gz	DONOBPHICOPLRB-NSHDSACASA-N	-1	0	323.353	0.105	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CCOC1(C)C)C(=O)[O-]	ZINC000663269412	418005356	/nfs/dbraw/zinc/00/53/56/418005356.db2.gz	NJRKQWHTRIETPN-MNOVXSKESA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000663634179	418041927	/nfs/dbraw/zinc/04/19/27/418041927.db2.gz	DCHBUXCHSBKAGQ-GFCCVEGCSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCC1(OC)CCOCC1)C(=O)[O-]	ZINC000654802567	418190685	/nfs/dbraw/zinc/19/06/85/418190685.db2.gz	WMFABNVPEMSHKX-NSHDSACASA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000654820144	418191821	/nfs/dbraw/zinc/19/18/21/418191821.db2.gz	ZTMFRSUXWXWFFR-XQHKEYJVSA-N	-1	0	312.366	0.851	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000650412601	418307792	/nfs/dbraw/zinc/30/77/92/418307792.db2.gz	PCAFLHLIVMHYNM-QMMMGPOBSA-N	-1	0	316.360	0.720	20	30		DCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000438246603	268130760	/nfs/dbraw/zinc/13/07/60/268130760.db2.gz	HQNFPRGLDDJNFC-UHFFFAOYSA-N	-1	0	306.303	0.821	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCNC(=O)[C@@H]2C)cc1C#N	ZINC000355651617	271018428	/nfs/dbraw/zinc/01/84/28/271018428.db2.gz	KIJZCBMRZRCRGZ-ZETCQYMHSA-N	-1	0	306.347	0.341	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)/C=C\c2ccc[nH]2)c1	ZINC000493523855	272194003	/nfs/dbraw/zinc/19/40/03/272194003.db2.gz	OSJAFOAFTAMFLL-ARJAWSKDSA-N	-1	0	302.315	0.800	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)[O-])cc1	ZINC000342877841	277872664	/nfs/dbraw/zinc/87/26/64/277872664.db2.gz	YIAYSJFNLROUCG-UHFFFAOYSA-N	-1	0	312.347	0.308	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1cccc(C#N)c1)[C@H](C)C(=O)[O-]	ZINC000262518120	278108427	/nfs/dbraw/zinc/10/84/27/278108427.db2.gz	NFYFYYYRAZDRTB-SNVBAGLBSA-N	-1	0	303.318	0.610	20	30		DCEDRM
Cn1c(NCc2ccc(C(=O)[O-])cc2)c(C#N)c(=O)n(C)c1=O	ZINC000347223257	302897127	/nfs/dbraw/zinc/89/71/27/302897127.db2.gz	DNKGVXSNPWAAON-UHFFFAOYSA-N	-1	0	314.301	0.266	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])s1	ZINC000230326724	303198144	/nfs/dbraw/zinc/19/81/44/303198144.db2.gz	IVSYFTPXSZNUKU-MRVPVSSYSA-N	-1	0	318.401	0.810	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)C[C@H]1CCCCO1)C(=O)[O-]	ZINC000518528080	332074338	/nfs/dbraw/zinc/07/43/38/332074338.db2.gz	PLXQLUNIOGVVQR-MNOVXSKESA-N	-1	0	307.368	0.131	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](CC(C)(C)C)C(=O)[O-]	ZINC000578538567	332386888	/nfs/dbraw/zinc/38/68/88/332386888.db2.gz	YWZQIRVGKIBDPU-ZJUUUORDSA-N	-1	0	305.400	0.944	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-]	ZINC000562353500	332584080	/nfs/dbraw/zinc/58/40/80/332584080.db2.gz	RZYVCPYNSDSZAR-LLVKDONJSA-N	-1	0	301.368	0.530	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F	ZINC000570215434	332727856	/nfs/dbraw/zinc/72/78/56/332727856.db2.gz	HMLOQHVCLJHWOR-HTQZYQBOSA-N	-1	0	313.326	0.268	20	30		DCEDRM
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000330052146	336109385	/nfs/dbraw/zinc/10/93/85/336109385.db2.gz	OPVWFMXACQRQCY-MRVPVSSYSA-N	-1	0	317.371	0.171	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@]1(C)C(=O)[O-]	ZINC000583266744	337296447	/nfs/dbraw/zinc/29/64/47/337296447.db2.gz	VEADTOTVQTWXDR-CMPLNLGQSA-N	-1	0	303.384	0.794	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000422704755	337683586	/nfs/dbraw/zinc/68/35/86/337683586.db2.gz	QISXCSFZAKNGOV-NWDGAFQWSA-N	-1	0	312.366	0.265	20	30		DCEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1	ZINC000088475114	337861937	/nfs/dbraw/zinc/86/19/37/337861937.db2.gz	PHADPSFWNMLUFZ-SECBINFHSA-N	-1	0	303.365	0.378	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000491633083	339869752	/nfs/dbraw/zinc/86/97/52/339869752.db2.gz	SFFXXLBUNAFWBR-STQMWFEESA-N	-1	0	304.346	0.041	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000491792851	339882119	/nfs/dbraw/zinc/88/21/19/339882119.db2.gz	HRWQZNSCLLPWGF-CYBMUJFWSA-N	-1	0	306.362	0.335	20	30		DCEDRM
CCn1nccc1/C=C/C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000492347076	339898295	/nfs/dbraw/zinc/89/82/95/339898295.db2.gz	WSDNHJGQONDBIY-AATRIKPKSA-N	-1	0	310.379	0.912	20	30		DCEDRM
COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C(C)C	ZINC000494607064	339955009	/nfs/dbraw/zinc/95/50/09/339955009.db2.gz	ISJHILLBJKEBIM-VIFPVBQESA-N	-1	0	319.383	0.363	20	30		DCEDRM
CCOC(=O)NCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000494710231	339958316	/nfs/dbraw/zinc/95/83/16/339958316.db2.gz	JJULWUURPYTTOR-UHFFFAOYSA-N	-1	0	305.356	0.118	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C=Nn2c(=O)[n-][nH]c2=O)C1	ZINC000497013788	340018251	/nfs/dbraw/zinc/01/82/51/340018251.db2.gz	FPSZPLKELOLHDD-SDBXPKJASA-N	-1	0	309.326	0.780	20	30		DCEDRM
CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)CCC#N)CC1	ZINC000548559703	341266032	/nfs/dbraw/zinc/26/60/32/341266032.db2.gz	MDUKPCAZXOILPO-UHFFFAOYSA-N	-1	0	303.384	0.653	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC(C)(C)C[C@@H](C)C(=O)[O-]	ZINC000565055811	341516027	/nfs/dbraw/zinc/51/60/27/341516027.db2.gz	KUZVDCGQHVFUIC-VHSXEESVSA-N	-1	0	305.400	0.802	20	30		DCEDRM
C=CCCOCCNS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC000565654756	341534176	/nfs/dbraw/zinc/53/41/76/341534176.db2.gz	KZMXZTSNMLNDKT-UHFFFAOYSA-N	-1	0	300.336	0.651	20	30		DCEDRM
CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000567053127	341576893	/nfs/dbraw/zinc/57/68/93/341576893.db2.gz	SCOOITXPVRMEON-UHFFFAOYSA-N	-1	0	313.291	0.827	20	30		DCEDRM
C#CCN(C(=O)C(=O)NCc1ncc(C(=O)[O-])s1)C(C)C	ZINC001602711439	1159784652	/nfs/dbraw/zinc/78/46/52/1159784652.db2.gz	GHBHEPZHRQMJCT-UHFFFAOYSA-N	-1	0	309.347	0.328	20	30		DCEDRM
COC(=O)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124165042	523885195	/nfs/dbraw/zinc/88/51/95/523885195.db2.gz	OXSQPBLURRSKMD-LURJTMIESA-N	-1	0	304.274	0.676	20	30		DCEDRM
CC#CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000155906627	526381603	/nfs/dbraw/zinc/38/16/03/526381603.db2.gz	NGHJYPNMXYKEQQ-UHFFFAOYSA-N	-1	0	322.386	0.930	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CSCCN1CCOCC1)cc2=O	ZINC000160060703	526778419	/nfs/dbraw/zinc/77/84/19/526778419.db2.gz	UIIPZMQWODILHQ-UHFFFAOYSA-N	-1	0	319.390	0.872	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1n[nH]c2ccccc12)C(=O)[O-]	ZINC000262956926	526804424	/nfs/dbraw/zinc/80/44/24/526804424.db2.gz	IXPAVXSYRWGLIF-ZDUSSCGKSA-N	-1	0	303.318	0.877	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CSCN1C(=O)CC)C(=O)[O-]	ZINC000263040637	526805326	/nfs/dbraw/zinc/80/53/26/526805326.db2.gz	PEJHLSSMCNXTLV-UWVGGRQHSA-N	-1	0	316.379	0.070	20	30		DCEDRM
C#C[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000185299041	527225661	/nfs/dbraw/zinc/22/56/61/527225661.db2.gz	YYZZFLVZOIUJRO-LLVKDONJSA-N	-1	0	322.386	0.928	20	30		DCEDRM
C=CCC[C@@H](NC(=O)CNC(=O)COc1ccccc1)C(=O)[O-]	ZINC000263036508	527437490	/nfs/dbraw/zinc/43/74/90/527437490.db2.gz	ZHHDZNLVFDBQOO-CYBMUJFWSA-N	-1	0	320.345	0.717	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000263474974	528640514	/nfs/dbraw/zinc/64/05/14/528640514.db2.gz	IYCKKLQEVRGVKX-JQWIXIFHSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C=CCCOCC(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000673129894	547449596	/nfs/dbraw/zinc/44/95/96/547449596.db2.gz	YZWOYOOSWPTBDH-UHFFFAOYSA-N	-1	0	314.363	0.832	20	30		DCEDRM
O=C([O-])CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000740483072	597047910	/nfs/dbraw/zinc/04/79/10/597047910.db2.gz	OZRQLOXABBHYHW-UHFFFAOYSA-N	-1	0	323.308	0.621	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1	ZINC000817675476	597217737	/nfs/dbraw/zinc/21/77/37/597217737.db2.gz	ZGQCJJAGLXWUIX-CYBMUJFWSA-N	-1	0	318.329	0.863	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(Cn2ccnn2)CC1	ZINC000819811584	597603474	/nfs/dbraw/zinc/60/34/74/597603474.db2.gz	RLJMKQWXXPTSRW-AWEZNQCLSA-N	-1	0	305.338	0.521	20	30		DCEDRM
CN(CC(C)(C)S(C)(=O)=O)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820574282	597606411	/nfs/dbraw/zinc/60/64/11/597606411.db2.gz	MNUXQXJTPKGEEE-GFCCVEGCSA-N	-1	0	304.368	0.273	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NC(=O)c1ccccc1	ZINC000819866333	597616654	/nfs/dbraw/zinc/61/66/54/597616654.db2.gz	VWXKLKOMIXHHDH-OAHLLOKOSA-N	-1	0	318.285	0.491	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC(=O)Nc1ccccn1	ZINC000819833732	597634064	/nfs/dbraw/zinc/63/40/64/597634064.db2.gz	IREUHLZXLVQLKA-AWEZNQCLSA-N	-1	0	304.306	0.531	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](N2CCNC2=O)C1	ZINC000819810903	597636931	/nfs/dbraw/zinc/63/69/31/597636931.db2.gz	HJSPIFSDAUMFNK-QMTHXVAHSA-N	-1	0	308.338	0.007	20	30		DCEDRM
CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820321331	597640403	/nfs/dbraw/zinc/64/04/03/597640403.db2.gz	XDRCPOTUPRAZPV-IAQYHMDHSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CN(Cc1nnc2ccccn21)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820607781	597641674	/nfs/dbraw/zinc/64/16/74/597641674.db2.gz	VPBSHIGEAQDVMR-AWEZNQCLSA-N	-1	0	301.306	0.692	20	30		DCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)N1CCCC[C@@H]1C	ZINC000820114551	597643073	/nfs/dbraw/zinc/64/30/73/597643073.db2.gz	PGAFQAFETNGICY-PGUXBMHVSA-N	-1	0	309.366	0.897	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCN1C[C@@H](C)O	ZINC000820296915	597663650	/nfs/dbraw/zinc/66/36/50/597663650.db2.gz	FSWZNAKYCRENMT-JMSVASOKSA-N	-1	0	311.382	0.295	20	30		DCEDRM
C#Cc1ccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cn1	ZINC000819706248	597686615	/nfs/dbraw/zinc/68/66/15/597686615.db2.gz	RPADPEZZXHERMA-SNVBAGLBSA-N	-1	0	303.318	0.114	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O	ZINC000819834819	597725928	/nfs/dbraw/zinc/72/59/28/597725928.db2.gz	PIGTXOXYJCXADB-NHYWBVRUSA-N	-1	0	319.292	0.662	20	30		DCEDRM
CC(=O)NC1CCC(N(C)C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819737226	597819086	/nfs/dbraw/zinc/81/90/86/597819086.db2.gz	JHXZMDVGZGPIKY-QOZQQMKHSA-N	-1	0	309.366	0.897	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCN(c2ncccn2)C1	ZINC000819823748	598224437	/nfs/dbraw/zinc/22/44/37/598224437.db2.gz	WRGDXDWFFYGAHG-NHYWBVRUSA-N	-1	0	317.349	0.566	20	30		DCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NCc1ccccc1	ZINC000820114806	598225039	/nfs/dbraw/zinc/22/50/39/598225039.db2.gz	QBNURWZWWNPWLU-MEDUHNTESA-N	-1	0	317.345	0.812	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(N2CCOCC2)cn1	ZINC000819856425	598226496	/nfs/dbraw/zinc/22/64/96/598226496.db2.gz	IRNBVSVNYRSUTI-OAHLLOKOSA-N	-1	0	318.333	0.861	20	30		DCEDRM
N#Cc1ccccc1N1CCN(Cn2cc(C(=O)[O-])nn2)CC1	ZINC000739146128	599705645	/nfs/dbraw/zinc/70/56/45/599705645.db2.gz	AHDZSUFWSNJEKH-UHFFFAOYSA-N	-1	0	312.333	0.628	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2ccsc2C(=O)[O-])CCO1	ZINC000093932438	599981348	/nfs/dbraw/zinc/98/13/48/599981348.db2.gz	MUZZYACFKIKXGU-ZETCQYMHSA-N	-1	0	302.333	0.359	20	30		DCEDRM
N#Cc1cccc(NC(=O)CCN2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000738433427	599979281	/nfs/dbraw/zinc/97/92/81/599979281.db2.gz	CBBYUXKRBYLGRX-CYBMUJFWSA-N	-1	0	303.318	0.672	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000736078480	600093545	/nfs/dbraw/zinc/09/35/45/600093545.db2.gz	AEYDFQQLSOTWGD-LLVKDONJSA-N	-1	0	303.314	0.999	20	30		DCEDRM
COc1ccc(C(N)=NOCc2noc(CCC(=O)[O-])n2)cc1	ZINC000737957798	600283287	/nfs/dbraw/zinc/28/32/87/600283287.db2.gz	VGVIYESEXWRSFZ-UHFFFAOYSA-N	-1	0	320.305	0.933	20	30		DCEDRM
N#CCOc1cccc(NC(=O)C(=O)NCCCC(=O)[O-])c1	ZINC000739088942	600338669	/nfs/dbraw/zinc/33/86/69/600338669.db2.gz	XJPCQWUBAQGNDR-UHFFFAOYSA-N	-1	0	305.290	0.508	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C1CCN(CC(F)(F)F)CC1	ZINC000739078245	600402344	/nfs/dbraw/zinc/40/23/44/600402344.db2.gz	ZQUBLYNYSINLQP-UHFFFAOYSA-N	-1	0	307.272	0.697	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCc1ccc2c(c1)OCCO2	ZINC000739077544	600406765	/nfs/dbraw/zinc/40/67/65/600406765.db2.gz	PWTLHSQDKFMOGJ-UHFFFAOYSA-N	-1	0	304.302	0.827	20	30		DCEDRM
Cc1ccc(-c2nnn(CC(=O)N(CC#N)CC(=O)[O-])n2)cc1	ZINC000738495764	600408257	/nfs/dbraw/zinc/40/82/57/600408257.db2.gz	XMFSQZVLIXKPAE-UHFFFAOYSA-N	-1	0	314.305	0.085	20	30		DCEDRM
Cc1cc(C(=O)N(CC#N)CC(=O)[O-])ccc1-n1cnnn1	ZINC000738319479	600408664	/nfs/dbraw/zinc/40/86/64/600408664.db2.gz	MDWYMPKTTJPYSJ-UHFFFAOYSA-N	-1	0	300.278	0.021	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC(c2cccc(F)c2)=NO1	ZINC000739077366	600409147	/nfs/dbraw/zinc/40/91/47/600409147.db2.gz	NAWGSJITZIJCAW-GFCCVEGCSA-N	-1	0	305.265	0.755	20	30		DCEDRM
C=C(Br)CN(CCN1CCOCC1)CC(=O)[O-]	ZINC000736095443	600459635	/nfs/dbraw/zinc/45/96/35/600459635.db2.gz	XBZUTEXDUUOZFW-UHFFFAOYSA-N	-1	0	307.188	0.614	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)N2CCC[C@H](C(=O)[O-])C2)nc1	ZINC000739121866	600488837	/nfs/dbraw/zinc/48/88/37/600488837.db2.gz	XWTUKPUSDKBKSX-LBPRGKRZSA-N	-1	0	317.349	0.871	20	30		DCEDRM
N#Cc1ccc(OCC(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1	ZINC000739129007	600535747	/nfs/dbraw/zinc/53/57/47/600535747.db2.gz	OHODAIGOHJOMHZ-UHFFFAOYSA-N	-1	0	301.262	0.321	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000739147357	600536463	/nfs/dbraw/zinc/53/64/63/600536463.db2.gz	SEQIVNITWQQBED-UHFFFAOYSA-N	-1	0	301.262	0.321	20	30		DCEDRM
CC(=O)NC[C@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC000736149715	600572042	/nfs/dbraw/zinc/57/20/42/600572042.db2.gz	ZTVCTKFHEAGOPS-LSDHHAIUSA-N	-1	0	317.345	0.521	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)CNC(=O)C2CC2)C(=O)[O-])cc1	ZINC000739110596	600611351	/nfs/dbraw/zinc/61/13/51/600611351.db2.gz	RLGJRUMMVVOWJG-CYBMUJFWSA-N	-1	0	302.286	0.753	20	30		DCEDRM
Cc1[nH]c(=O)ccc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000826327508	607460422	/nfs/dbraw/zinc/46/04/22/607460422.db2.gz	KEAYJZQTSAQRCS-UHFFFAOYSA-N	-1	0	311.265	0.123	20	30		DCEDRM
COCCN(CCC(=O)[O-])CC(=O)Nc1ccc(C#N)cc1	ZINC000737794401	600640583	/nfs/dbraw/zinc/64/05/83/600640583.db2.gz	NFOJGMURYOLZOZ-UHFFFAOYSA-N	-1	0	305.334	0.920	20	30		DCEDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC000738480061	600764306	/nfs/dbraw/zinc/76/43/06/600764306.db2.gz	WNSLNZRZNXFITG-UHFFFAOYSA-N	-1	0	313.291	0.502	20	30		DCEDRM
N#Cc1ccc([C@@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)C2CC2)o1	ZINC000833072450	600783354	/nfs/dbraw/zinc/78/33/54/600783354.db2.gz	MQGUDCFWCKMVOV-JTQLQIEISA-N	-1	0	317.326	0.988	20	30		DCEDRM
Cc1cc(S(=O)(=O)N(CC#N)CC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000738474623	600796560	/nfs/dbraw/zinc/79/65/60/600796560.db2.gz	PEUZXOJRJORFJO-UHFFFAOYSA-N	-1	0	313.291	0.502	20	30		DCEDRM
CC(C)[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000817961523	600880373	/nfs/dbraw/zinc/88/03/73/600880373.db2.gz	GQAVPSFLURFIFX-IBPBOOLHSA-N	-1	0	309.322	0.128	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CCn2cc([N+](=O)[O-])cn2)c1=O	ZINC000833069058	600987833	/nfs/dbraw/zinc/98/78/33/600987833.db2.gz	TUGBMLHLLTYLQI-UHFFFAOYSA-N	-1	0	303.234	0.223	20	30		DCEDRM
Cc1ccc(CN(C(=O)CN(CC#N)CC(=O)[O-])C2CC2)o1	ZINC000832929504	601003286	/nfs/dbraw/zinc/00/32/86/601003286.db2.gz	AIDNJFGTXSYNAY-UHFFFAOYSA-N	-1	0	305.334	0.989	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1cccc2nsnc21	ZINC000833066488	601003441	/nfs/dbraw/zinc/00/34/41/601003441.db2.gz	ASBHVMJJGYDLQQ-UHFFFAOYSA-N	-1	0	305.319	0.540	20	30		DCEDRM
COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000831696690	601236610	/nfs/dbraw/zinc/23/66/10/601236610.db2.gz	HVIOQYJPBLRTSN-QJPTWQEYSA-N	-1	0	310.350	0.739	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)CCO1	ZINC000316014604	601238415	/nfs/dbraw/zinc/23/84/15/601238415.db2.gz	BEFMRACEIJDQSL-UXONFWTHSA-N	-1	0	322.342	0.697	20	30		DCEDRM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCO[C@@H](C#N)C2)c1C	ZINC000316443929	601238438	/nfs/dbraw/zinc/23/84/38/601238438.db2.gz	VKPWLXZQXFDTRS-LBPRGKRZSA-N	-1	0	324.358	0.915	20	30		DCEDRM
N#CCN(CCC(=O)NC(=O)Nc1ccccc1)CC(=O)[O-]	ZINC000833067732	601242298	/nfs/dbraw/zinc/24/22/98/601242298.db2.gz	ZMWRNQRMQYPXTA-UHFFFAOYSA-N	-1	0	304.306	0.635	20	30		DCEDRM
O=C([O-])CN(CCN1CCOCC1)C(=O)C#Cc1ccccc1	ZINC000833248446	601284801	/nfs/dbraw/zinc/28/48/01/601284801.db2.gz	SZTUFVSNIHVBMF-UHFFFAOYSA-N	-1	0	316.357	0.284	20	30		DCEDRM
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000825996124	601456444	/nfs/dbraw/zinc/45/64/44/601456444.db2.gz	VWTUZENTQMVSKH-STQMWFEESA-N	-1	0	323.393	0.893	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCO[C@H](CC(=O)[O-])C1	ZINC000825994728	601461324	/nfs/dbraw/zinc/46/13/24/601461324.db2.gz	JITVNHGBAUXXCN-LALPHHSUSA-N	-1	0	311.382	0.605	20	30		DCEDRM
C[C@@H]1CCN(c2cc(C(=O)N(CC#N)CC(=O)[O-])ccn2)C1	ZINC000828302837	601565331	/nfs/dbraw/zinc/56/53/31/601565331.db2.gz	JPSJFZJVDLVWQY-LLVKDONJSA-N	-1	0	302.334	0.978	20	30		DCEDRM
C#CCN1CCN(C(=O)CNc2ccc(C(=O)[O-])cc2)CC1	ZINC000825619313	601577957	/nfs/dbraw/zinc/57/79/57/601577957.db2.gz	KKGXEZKGHWPTTF-UHFFFAOYSA-N	-1	0	301.346	0.574	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000833068362	601723184	/nfs/dbraw/zinc/72/31/84/601723184.db2.gz	WXRICNABYOEJDC-HNNXBMFYSA-N	-1	0	304.302	0.491	20	30		DCEDRM
C=C(Br)CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000161507541	601770567	/nfs/dbraw/zinc/77/05/67/601770567.db2.gz	HLFIHBWSBGGMJC-QMMMGPOBSA-N	-1	0	307.144	0.780	20	30		DCEDRM
CN1CCc2ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc21	ZINC000830968857	601835273	/nfs/dbraw/zinc/83/52/73/601835273.db2.gz	UPAYRPWIPHLGEH-UHFFFAOYSA-N	-1	0	309.347	0.278	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)N1CCSC[C@H]1CC(=O)[O-]	ZINC000825687311	601926312	/nfs/dbraw/zinc/92/63/12/601926312.db2.gz	IGEFLTZGMLEQNR-NXEZZACHSA-N	-1	0	315.395	0.279	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)[C@@H]2CCNC(=O)C2)C(=O)[O-])cc1	ZINC000833072652	602260759	/nfs/dbraw/zinc/26/07/59/602260759.db2.gz	OQSWPZDQLTXNOO-YPMHNXCESA-N	-1	0	302.286	0.753	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000828273302	603128194	/nfs/dbraw/zinc/12/81/94/603128194.db2.gz	LJXROQIUCKCKKG-UWVGGRQHSA-N	-1	0	304.372	0.103	20	30		DCEDRM
CN(C[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000828229324	603153283	/nfs/dbraw/zinc/15/32/83/603153283.db2.gz	BXMMGZSRVWXYEU-NSHDSACASA-N	-1	0	324.362	0.716	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)C[C@H]1CCN(C(=O)[O-])C1	ZINC000831097592	603710778	/nfs/dbraw/zinc/71/07/78/603710778.db2.gz	MALSXEMELJWXAS-CQSZACIVSA-N	-1	0	310.398	0.534	20	30		DCEDRM
Cc1nn(C)c(C)c1NC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830854768	603725321	/nfs/dbraw/zinc/72/53/21/603725321.db2.gz	AQVSIBRXKWCZST-NSHDSACASA-N	-1	0	320.353	0.163	20	30		DCEDRM
N#CCCNC(=O)COC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000831097065	603805400	/nfs/dbraw/zinc/80/54/00/603805400.db2.gz	CWDIHAJXEZPROW-YOGCLGLASA-N	-1	0	323.349	0.871	20	30		DCEDRM
O=C([O-])N1CCc2cccc(C=NN[C@@H]3CCS(=O)(=O)C3)c21	ZINC000832079485	603818826	/nfs/dbraw/zinc/81/88/26/603818826.db2.gz	IYRWCXJKLNPMOI-GFCCVEGCSA-N	-1	0	323.374	0.838	20	30		DCEDRM
C#CCSCCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000823466527	603825281	/nfs/dbraw/zinc/82/52/81/603825281.db2.gz	CUFFLACTYVVQCX-UHFFFAOYSA-N	-1	0	313.423	0.543	20	30		DCEDRM
C#CCSCCNC(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823466447	603825504	/nfs/dbraw/zinc/82/55/04/603825504.db2.gz	AOSOJGKWGPCVHQ-VHSXEESVSA-N	-1	0	300.380	0.972	20	30		DCEDRM
C[C@H](OC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-])C(=O)N(C)CCC#N	ZINC000825560752	603842880	/nfs/dbraw/zinc/84/28/80/603842880.db2.gz	KBVYZLOOLJOTGS-DCAQKATOSA-N	-1	0	311.338	0.726	20	30		DCEDRM
C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824544164	603917456	/nfs/dbraw/zinc/91/74/56/603917456.db2.gz	NSMOGQHXRSJQIW-GXSJLCMTSA-N	-1	0	316.383	0.149	20	30		DCEDRM
N#CCN1CCC(CNC(=O)CC2(NC(=O)[O-])CCC2)CC1	ZINC000831102182	603920562	/nfs/dbraw/zinc/92/05/62/603920562.db2.gz	BLFPFNDCVYCRSX-UHFFFAOYSA-N	-1	0	308.382	0.919	20	30		DCEDRM
C#CCNC(=O)COC(=O)[C@H](CNC(=O)[O-])c1ccccc1	ZINC000823457096	603926097	/nfs/dbraw/zinc/92/60/97/603926097.db2.gz	USVKMVYNHHGPJZ-GFCCVEGCSA-N	-1	0	304.302	0.330	20	30		DCEDRM
C[C@@H](OC(=O)c1ccc(CNC(=O)[O-])o1)C(=O)N(C)CCC#N	ZINC000825601750	604011255	/nfs/dbraw/zinc/01/12/55/604011255.db2.gz	BWFBDQCXCWDCQI-SECBINFHSA-N	-1	0	323.305	0.965	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)COc1cccc(C=O)c1	ZINC000831082270	604069668	/nfs/dbraw/zinc/06/96/68/604069668.db2.gz	JWSRPLVNDAGHNX-LBPRGKRZSA-N	-1	0	317.301	0.592	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1Cc2cc(F)ccc2O1	ZINC000831076086	604071391	/nfs/dbraw/zinc/07/13/91/604071391.db2.gz	GKJSZCIEXQTBLH-DGCLKSJQSA-N	-1	0	319.292	0.844	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccc(O)cc1	ZINC000831082946	604078705	/nfs/dbraw/zinc/07/87/05/604078705.db2.gz	SWSSKSRAJAHGSE-SNVBAGLBSA-N	-1	0	305.290	0.485	20	30		DCEDRM
COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)C1	ZINC000828631149	604080301	/nfs/dbraw/zinc/08/03/01/604080301.db2.gz	MFNKKGGOFMNAIN-UTUOFQBUSA-N	-1	0	323.349	0.680	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cnn2cccnc12	ZINC000831091802	604082762	/nfs/dbraw/zinc/08/27/62/604082762.db2.gz	LGVSFRHTSAXNHH-SECBINFHSA-N	-1	0	300.278	0.057	20	30		DCEDRM
CN(C)c1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cn1	ZINC000828056946	604084899	/nfs/dbraw/zinc/08/48/99/604084899.db2.gz	WZANMBFRIFQZRI-NSHDSACASA-N	-1	0	303.322	0.476	20	30		DCEDRM
CC(C)CN1C[C@H](C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)CC1=O	ZINC000824256651	604086531	/nfs/dbraw/zinc/08/65/31/604086531.db2.gz	GLLHSLBAKABXGH-VXGBXAGGSA-N	-1	0	322.365	0.205	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CC1	ZINC000824842252	604136420	/nfs/dbraw/zinc/13/64/20/604136420.db2.gz	XGVKPHOCMGSGMY-QWHCGFSZSA-N	-1	0	310.398	0.925	20	30		DCEDRM
CC(C)[C@H](CCN(C)S(=O)(=O)N(C)CCC#N)NC(=O)[O-]	ZINC000824105600	604238121	/nfs/dbraw/zinc/23/81/21/604238121.db2.gz	YWEJBVSUSMYZFL-NSHDSACASA-N	-1	0	320.415	0.691	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2nc(CCC(=O)[O-])cs2)n1	ZINC000833078327	604346273	/nfs/dbraw/zinc/34/62/73/604346273.db2.gz	GQXORNAAIIRHKU-UHFFFAOYSA-N	-1	0	306.307	0.262	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)C2(NC(=O)[O-])CC2)c1	ZINC000823473417	604430156	/nfs/dbraw/zinc/43/01/56/604430156.db2.gz	FBSJIPAURRRGNU-UHFFFAOYSA-N	-1	0	315.329	0.865	20	30		DCEDRM
C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCS1(=O)=O	ZINC000833629334	604610881	/nfs/dbraw/zinc/61/08/81/604610881.db2.gz	IKIHBRWRLIZPJM-JTQLQIEISA-N	-1	0	308.359	0.875	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCO1	ZINC000825346509	604617719	/nfs/dbraw/zinc/61/77/19/604617719.db2.gz	YFBWXSSOLCYACS-JVLSTEMRSA-N	-1	0	324.381	0.152	20	30		DCEDRM
CC(=NNC(=S)NCC(N)=O)[C@H](C)CCCCC(=O)[O-]	ZINC000814845533	604640998	/nfs/dbraw/zinc/64/09/98/604640998.db2.gz	ZKUUEKLSNVJKES-MRVPVSSYSA-N	-1	0	302.400	0.593	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)C#Cc2ccccc2)CCO1	ZINC000825292867	604671001	/nfs/dbraw/zinc/67/10/01/604671001.db2.gz	CRQCYPWHTUXDBL-OCCSQVGLSA-N	-1	0	302.330	0.922	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc(C#N)cn2)CCO1	ZINC000825337564	604705042	/nfs/dbraw/zinc/70/50/42/604705042.db2.gz	YPJFRHYQVDMGIL-SKDRFNHKSA-N	-1	0	304.306	0.450	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)NC1CN(C(=O)[O-])C1	ZINC000739853335	604751292	/nfs/dbraw/zinc/75/12/92/604751292.db2.gz	SJTDUPHKCKKZHJ-UHFFFAOYSA-N	-1	0	305.290	0.424	20	30		DCEDRM
Cc1nc(C)c(C#N)c(SCCc2cn(CC(=O)[O-])nn2)n1	ZINC000832994548	604785837	/nfs/dbraw/zinc/78/58/37/604785837.db2.gz	MXBIYNCLZZVJKJ-UHFFFAOYSA-N	-1	0	318.362	0.976	20	30		DCEDRM
N#CCCn1ncc2c1ncnc2N1CCC[C@H]1CNC(=O)[O-]	ZINC000831097611	604831815	/nfs/dbraw/zinc/83/18/15/604831815.db2.gz	MYXRQGFJUTVZJW-JTQLQIEISA-N	-1	0	315.337	0.976	20	30		DCEDRM
C=CCOc1ccc(/C=C/C(=O)NC[C@H](O)C(=O)[O-])cc1OC	ZINC000833377878	605095058	/nfs/dbraw/zinc/09/50/58/605095058.db2.gz	PZMJQTVMVRHBJL-PZBABLGHSA-N	-1	0	321.329	0.835	20	30		DCEDRM
CCc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1S(C)(=O)=O	ZINC000833670345	605129438	/nfs/dbraw/zinc/12/94/38/605129438.db2.gz	UPRQOXUNGRDQFW-UHFFFAOYSA-N	-1	0	324.358	0.703	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000833376932	605210767	/nfs/dbraw/zinc/21/07/67/605210767.db2.gz	XBMVKQSIUFWCET-UHFFFAOYSA-N	-1	0	316.310	0.104	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000393785638	605211854	/nfs/dbraw/zinc/21/18/54/605211854.db2.gz	LOSWPFCRLDGLBV-UHFFFAOYSA-N	-1	0	312.347	0.106	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000829839743	605214352	/nfs/dbraw/zinc/21/43/52/605214352.db2.gz	QZXXQXOXNJFFMF-NSHDSACASA-N	-1	0	316.317	0.674	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)c2cc(C(=O)[O-])no2)c1	ZINC000833368028	605262616	/nfs/dbraw/zinc/26/26/16/605262616.db2.gz	DHYNTYMNUQLHFC-UHFFFAOYSA-N	-1	0	313.269	0.723	20	30		DCEDRM
C#CCSCCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823466586	605353352	/nfs/dbraw/zinc/35/33/52/605353352.db2.gz	FLGMAZMNHIWIPF-LLVKDONJSA-N	-1	0	300.380	0.628	20	30		DCEDRM
COCCN(CCC#N)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000828979622	605360961	/nfs/dbraw/zinc/36/09/61/605360961.db2.gz	JYVAZMXWPNYDDM-GFCCVEGCSA-N	-1	0	313.354	0.534	20	30		DCEDRM
O=C([O-])NCC(=O)NCC(=O)OCC#Cc1ccccc1Cl	ZINC000834199506	605383393	/nfs/dbraw/zinc/38/33/93/605383393.db2.gz	YVHQJDNGCWJEMO-UHFFFAOYSA-N	-1	0	324.720	0.619	20	30		DCEDRM
CC(C[C@H]1CCCN1C(=O)[O-])N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000824766914	605465990	/nfs/dbraw/zinc/46/59/90/605465990.db2.gz	FKWMZPPXOYAOGO-MRVPVSSYSA-N	-1	0	319.325	0.752	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC000833366272	605498884	/nfs/dbraw/zinc/49/88/84/605498884.db2.gz	OXDCRIOMZXDGNF-UHFFFAOYSA-N	-1	0	310.331	0.459	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)[O-]	ZINC000833366285	605499094	/nfs/dbraw/zinc/49/90/94/605499094.db2.gz	PRSRZQUITBJSLY-UHFFFAOYSA-N	-1	0	324.720	0.743	20	30		DCEDRM
N#C[C@H]1CN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CCN1C1CC1	ZINC000739069862	605663553	/nfs/dbraw/zinc/66/35/53/605663553.db2.gz	UQJBFGDKQPWJRY-AAEUAGOBSA-N	-1	0	321.381	0.511	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@@H](O)COc1ccccc1	ZINC000833968263	605683690	/nfs/dbraw/zinc/68/36/90/605683690.db2.gz	VBRUKBFTECZHCR-BZPMIXESSA-N	-1	0	305.334	0.518	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cnc(C#N)n1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000825127459	605686485	/nfs/dbraw/zinc/68/64/85/605686485.db2.gz	LHSGFPCOUSKAQF-NXEZZACHSA-N	-1	0	306.326	0.044	20	30		DCEDRM
Cc1onc(CC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)c1C#N	ZINC000833934773	605695273	/nfs/dbraw/zinc/69/52/73/605695273.db2.gz	BKKCKEOQFOTABJ-RKDXNWHRSA-N	-1	0	306.322	0.996	20	30		DCEDRM
Cc1onc(CC(=O)N[C@](C)(CNC(=O)[O-])C2CC2)c1C#N	ZINC000833935824	605695297	/nfs/dbraw/zinc/69/52/97/605695297.db2.gz	JVZZZJBMNOPYHD-CQSZACIVSA-N	-1	0	306.322	0.950	20	30		DCEDRM
Cc1onc(CC(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)c1C#N	ZINC000833936212	605697632	/nfs/dbraw/zinc/69/76/32/605697632.db2.gz	LZQGRYZXBCOSGQ-PELKAZGASA-N	-1	0	322.321	0.281	20	30		DCEDRM
Cc1onc(CC(=O)N2C[C@H](CNC(=O)[O-])C[C@H]2C)c1C#N	ZINC000833937649	605697886	/nfs/dbraw/zinc/69/78/86/605697886.db2.gz	YOJVKPFZTDLKQU-SCZZXKLOSA-N	-1	0	306.322	0.902	20	30		DCEDRM
Cc1onc(CC(=O)N2CCN(C(=O)[O-])[C@@H](C)[C@H]2C)c1C#N	ZINC000833936876	605699898	/nfs/dbraw/zinc/69/98/98/605699898.db2.gz	RIILYFYGJHJBOF-BDAKNGLRSA-N	-1	0	306.322	0.996	20	30		DCEDRM
Cc1onc(CC(=O)N2CC[C@H]([C@@H](C)NC(=O)[O-])C2)c1C#N	ZINC000833937252	605700145	/nfs/dbraw/zinc/70/01/45/605700145.db2.gz	VDZMMDRUQMNHSY-SCZZXKLOSA-N	-1	0	306.322	0.902	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(CCC(=O)N(C)CCC#N)CCO1	ZINC000833817627	605750934	/nfs/dbraw/zinc/75/09/34/605750934.db2.gz	IEBFSAFCXKPHCM-RYUDHWBXSA-N	-1	0	312.370	0.105	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H](NC(=O)[O-])C1CC1	ZINC000833974954	605921400	/nfs/dbraw/zinc/92/14/00/605921400.db2.gz	PAAMFVBQRYMUSA-LBPRGKRZSA-N	-1	0	324.362	0.664	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2cnc(NC(=O)[O-])cn2)CCN1C1CC1	ZINC000833965683	606003165	/nfs/dbraw/zinc/00/31/65/606003165.db2.gz	DCAKQHORKLVSQZ-SNVBAGLBSA-N	-1	0	316.321	0.379	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CCOC2CN(C(=O)[O-])C2)cc1	ZINC000833971503	606080986	/nfs/dbraw/zinc/08/09/86/606080986.db2.gz	ILFBMBMZLIRHIU-UHFFFAOYSA-N	-1	0	303.318	0.943	20	30		DCEDRM
CCn1cc(-c2nnn[n-]2)c(=O)n(CCCC(C)(C)C#N)c1=O	ZINC000821565444	606170769	/nfs/dbraw/zinc/17/07/69/606170769.db2.gz	SXLTYCSUZJFLMY-UHFFFAOYSA-N	-1	0	317.353	0.540	20	30		DCEDRM
CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cnnn2C)o1	ZINC000820202285	606203004	/nfs/dbraw/zinc/20/30/04/606203004.db2.gz	GFOBZMZTNHVZNR-UHFFFAOYSA-N	-1	0	302.302	0.553	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1cnc(Cl)s1	ZINC000822814168	607161724	/nfs/dbraw/zinc/16/17/24/607161724.db2.gz	BWJSIITXBZYHEV-UHFFFAOYSA-N	-1	0	307.730	0.675	20	30		DCEDRM
C#CCNC(=S)NNc1oc(CC(C)C)nc1-c1nnn[n-]1	ZINC000823849959	607967073	/nfs/dbraw/zinc/96/70/73/607967073.db2.gz	FATVNKCRPZEOFQ-UHFFFAOYSA-N	-1	0	320.382	0.477	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H]1C	ZINC001020599758	658191082	/nfs/dbraw/zinc/19/10/82/658191082.db2.gz	QJJURJNLFSMBDE-NOHGZBONSA-N	-1	0	319.365	0.115	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCCC2	ZINC000892462508	658585537	/nfs/dbraw/zinc/58/55/37/658585537.db2.gz	QUWMKOJQEWCVTI-GFCCVEGCSA-N	-1	0	318.377	0.774	20	30		DCEDRM
N#CCNC(=O)C[N-]C(=O)C(F)(F)c1c(F)cccc1F	ZINC000804821191	658677712	/nfs/dbraw/zinc/67/77/12/658677712.db2.gz	GXMWUCVWEXPSPN-UHFFFAOYSA-N	-1	0	303.215	0.813	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(CN2CCOCC2)o1	ZINC000892489122	658717323	/nfs/dbraw/zinc/71/73/23/658717323.db2.gz	DYKPPVUFHMRYIA-CYBMUJFWSA-N	-1	0	317.345	0.736	20	30		DCEDRM
CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000776123101	659404491	/nfs/dbraw/zinc/40/44/91/659404491.db2.gz	LLAGJHLSRKUWKN-LLVKDONJSA-N	-1	0	315.395	0.385	20	30		DCEDRM
N#CCN1CCC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001028261374	661362045	/nfs/dbraw/zinc/36/20/45/661362045.db2.gz	WREJMFLFPRIZFE-VIFPVBQESA-N	-1	0	301.306	0.646	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000070393958	665820914	/nfs/dbraw/zinc/82/09/14/665820914.db2.gz	HUVIBXSKMNLRBK-VIFPVBQESA-N	-1	0	316.335	0.846	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCCN(C(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC000940768260	665844456	/nfs/dbraw/zinc/84/44/56/665844456.db2.gz	SNYQKBDBZOVXAR-VIFPVBQESA-N	-1	0	305.338	0.258	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC000988296973	662748700	/nfs/dbraw/zinc/74/87/00/662748700.db2.gz	RLHACYLUVVXEJL-MWLCHTKSSA-N	-1	0	319.365	0.504	20	30		DCEDRM
C#CC1(O)CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1	ZINC000899111726	663124144	/nfs/dbraw/zinc/12/41/44/663124144.db2.gz	GDRWBKCZKHOZPV-UHFFFAOYSA-N	-1	0	322.386	0.658	20	30		DCEDRM
Cc1c(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)cnn1C	ZINC000899925978	663201097	/nfs/dbraw/zinc/20/10/97/663201097.db2.gz	ILVIFXOEAUQUJM-NSHDSACASA-N	-1	0	311.363	0.217	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000990857961	663270677	/nfs/dbraw/zinc/27/06/77/663270677.db2.gz	CWKQNWGPYKGWPK-HNNXBMFYSA-N	-1	0	306.366	0.967	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@]2(N)C[C@@H](OCC)C2(C)C)CC1	ZINC000901058624	663312599	/nfs/dbraw/zinc/31/25/99/663312599.db2.gz	GFCPFCQBGGNBCV-QMTHXVAHSA-N	-1	0	316.423	0.684	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)[C@@H](C(=O)[O-])C3CC3)CC2)cn1	ZINC000902628099	663423527	/nfs/dbraw/zinc/42/35/27/663423527.db2.gz	OJMNVESZGJWBJB-AWEZNQCLSA-N	-1	0	314.345	0.713	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)[C@@H]1CCCO1	ZINC000906934219	663652681	/nfs/dbraw/zinc/65/26/81/663652681.db2.gz	HIKSZWJTQHWSLI-UWVGGRQHSA-N	-1	0	315.372	0.905	20	30		DCEDRM
C#Cc1cncc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)c1	ZINC000907480358	663701251	/nfs/dbraw/zinc/70/12/51/663701251.db2.gz	SVPBPBPJHKBZRK-NSHDSACASA-N	-1	0	300.347	0.506	20	30		DCEDRM
C=CCN(C(=O)[C@H](C(=O)[O-])C(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000908751022	663768183	/nfs/dbraw/zinc/76/81/83/663768183.db2.gz	MGFHVMCKDHYIMK-GHMZBOCLSA-N	-1	0	303.380	0.545	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)NCCOC[C@@H]1CCOC1)C(=O)[O-]	ZINC000908949359	663775907	/nfs/dbraw/zinc/77/59/07/663775907.db2.gz	XMQIFLVCOPVZNC-NEPJUHHUSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1C[C@H](OC)C12CCC2)C(=O)[O-]	ZINC000909234495	663788414	/nfs/dbraw/zinc/78/84/14/663788414.db2.gz	SMQDNXHAACWVHA-SRVKXCTJSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCSC[C@@H]1C(=O)[O-]	ZINC000909238594	663788710	/nfs/dbraw/zinc/78/87/10/663788710.db2.gz	QJBWYYAOUYIBDS-AXFHLTTASA-N	-1	0	300.380	0.789	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000909237815	663788717	/nfs/dbraw/zinc/78/87/17/663788717.db2.gz	LJSQZVJBEFXTDI-AVGNSLFASA-N	-1	0	312.366	0.757	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NCCc1ccc(OCC(=O)[O-])cc1	ZINC000909301789	663793525	/nfs/dbraw/zinc/79/35/25/663793525.db2.gz	FQBSIHBJCUYVCH-LBPRGKRZSA-N	-1	0	305.330	0.847	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc2ncn(C)c21)C(=O)[O-]	ZINC000909772531	663800976	/nfs/dbraw/zinc/80/09/76/663800976.db2.gz	ROMQJKDRSHUDSP-GFCCVEGCSA-N	-1	0	303.318	0.959	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)[O-]	ZINC000910050976	663836869	/nfs/dbraw/zinc/83/68/69/663836869.db2.gz	CFAGYOJXKPSZKX-LLVKDONJSA-N	-1	0	316.313	0.395	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)C(=O)[O-]	ZINC000910052795	663837315	/nfs/dbraw/zinc/83/73/15/663837315.db2.gz	JAQIJENOQTWJMV-RYUDHWBXSA-N	-1	0	318.329	0.867	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCc1c(C)nc2ccnn2c1C)C(=O)[O-]	ZINC000910052067	663837455	/nfs/dbraw/zinc/83/74/55/663837455.db2.gz	NCVQKWMQPWBZQR-CYBMUJFWSA-N	-1	0	314.345	0.871	20	30		DCEDRM
C#CC[C@H](NC(=O)C1CCN(C(=O)N(CC)CC)CC1)C(=O)[O-]	ZINC000910053897	663837912	/nfs/dbraw/zinc/83/79/12/663837912.db2.gz	ZLWGTYMYIOUYGK-ZDUSSCGKSA-N	-1	0	323.393	0.753	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@@H]1CCC2(CCOCC2)CO1)C(=O)[O-]	ZINC000910049091	663840179	/nfs/dbraw/zinc/84/01/79/663840179.db2.gz	SELJKNXECRCWOV-QWHCGFSZSA-N	-1	0	309.362	0.945	20	30		DCEDRM
C#CC[C@@H](NC(=O)CN(CCc1ccccc1)C(C)=O)C(=O)[O-]	ZINC000910047002	663840310	/nfs/dbraw/zinc/84/03/10/663840310.db2.gz	WQMUARPPDZLPBM-OAHLLOKOSA-N	-1	0	316.357	0.670	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cnn(C2CCOCC2)c1C)C(=O)[O-]	ZINC000910046989	663840362	/nfs/dbraw/zinc/84/03/62/663840362.db2.gz	WJBVFFXMZGHPLZ-CYBMUJFWSA-N	-1	0	305.334	0.749	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)c2cc(C(=O)[O-])nn2C)n1	ZINC000911716872	664102239	/nfs/dbraw/zinc/10/22/39/664102239.db2.gz	AHWMUTFDIXWCEF-UHFFFAOYSA-N	-1	0	315.333	0.610	20	30		DCEDRM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000912520612	664183025	/nfs/dbraw/zinc/18/30/25/664183025.db2.gz	DBRJHPATBNJFRP-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(-n2cccn2)c1	ZINC000172150311	664616484	/nfs/dbraw/zinc/61/64/84/664616484.db2.gz	MBYSMSNMTRTEHK-AWEZNQCLSA-N	-1	0	312.329	0.957	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@H](NCC#N)[C@H]3C2)c1[O-]	ZINC000992702790	664759670	/nfs/dbraw/zinc/75/96/70/664759670.db2.gz	ZVFAKZTWDCVCLZ-SRVKXCTJSA-N	-1	0	303.366	0.778	20	30		DCEDRM
O=c1nc(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)nc2[nH][nH]cc1-2	ZINC000731155309	664841148	/nfs/dbraw/zinc/84/11/48/664841148.db2.gz	XMXVXJLLVYKDCB-UHFFFAOYSA-N	-1	0	315.249	0.492	20	30		DCEDRM
CS(=O)(=O)NN=Cc1ccc(OC(F)(F)C(=O)[O-])cc1	ZINC000764702505	664877916	/nfs/dbraw/zinc/87/79/16/664877916.db2.gz	YDHHCGKKTJDZLK-UHFFFAOYSA-N	-1	0	308.262	0.626	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)cc1	ZINC000916774548	665093107	/nfs/dbraw/zinc/09/31/07/665093107.db2.gz	ZVRRAXIMYFXLNI-UHFFFAOYSA-N	-1	0	320.286	0.913	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(Cc2ccccc2)nn1	ZINC000916916745	665100670	/nfs/dbraw/zinc/10/06/70/665100670.db2.gz	BBGVZASRTWVSEE-CYBMUJFWSA-N	-1	0	309.329	0.951	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(-c2ccc(Cl)cc2)nn1	ZINC000917002849	665108410	/nfs/dbraw/zinc/10/84/10/665108410.db2.gz	UYLFSBIQOYTDGR-SNVBAGLBSA-N	-1	0	303.709	0.989	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(-c2ccc(F)cc2C)nn1	ZINC000179488773	665359120	/nfs/dbraw/zinc/35/91/20/665359120.db2.gz	NAAQAOSWHNDQHE-SNVBAGLBSA-N	-1	0	301.281	0.783	20	30		DCEDRM
CC[C@H](C#N)Oc1cc(CN=c2nn[n-]n2C)ccc1OC	ZINC000733303995	666474317	/nfs/dbraw/zinc/47/43/17/666474317.db2.gz	VLPSPYJNGXIHKO-LLVKDONJSA-N	-1	0	302.338	0.934	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000861144127	666902295	/nfs/dbraw/zinc/90/22/95/666902295.db2.gz	OFVQTEAGYZAVDM-GHMZBOCLSA-N	-1	0	305.396	0.981	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ncon2)cc1	ZINC000788071963	667019837	/nfs/dbraw/zinc/01/98/37/667019837.db2.gz	RLCFWXGJGSRVEE-UHFFFAOYSA-N	-1	0	305.315	0.820	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000119224725	667108495	/nfs/dbraw/zinc/10/84/95/667108495.db2.gz	GIYBTHKNTXKHCD-UHFFFAOYSA-N	-1	0	305.269	0.571	20	30		DCEDRM
N#Cc1ccc(C2(NC(=O)c3cc(=O)[nH][n-]3)CCOCC2)cc1	ZINC000863053060	667111089	/nfs/dbraw/zinc/11/10/89/667111089.db2.gz	OANGXGCXZXQMLX-UHFFFAOYSA-N	-1	0	312.329	0.556	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000863429250	667142795	/nfs/dbraw/zinc/14/27/95/667142795.db2.gz	AYTSOEUDTRNGNG-CYBMUJFWSA-N	-1	0	310.331	0.422	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)c1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC000864186187	667223005	/nfs/dbraw/zinc/22/30/05/667223005.db2.gz	KJNQKHUVVXWOCO-SSDOTTSWSA-N	-1	0	301.734	0.754	20	30		DCEDRM
Cc1csc2nc(CC(=O)N[C@H]3CCCN(O)C3=O)cn12	ZINC000868562041	667581375	/nfs/dbraw/zinc/58/13/75/667581375.db2.gz	BVHHNOBHZAQRIL-JTQLQIEISA-N	-1	0	308.363	0.743	20	30		DCEDRM
CCO[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)C1CCOCC1	ZINC000868562526	667581390	/nfs/dbraw/zinc/58/13/90/667581390.db2.gz	GUBZZMPGUCAKMK-VXGBXAGGSA-N	-1	0	300.355	0.315	20	30		DCEDRM
CCn1nc(C(=O)N(CC#N)CC(=O)[O-])c(=O)c2ccccc21	ZINC000737310165	667592022	/nfs/dbraw/zinc/59/20/22/667592022.db2.gz	OUUFREIOTHHYIS-UHFFFAOYSA-N	-1	0	314.301	0.467	20	30		DCEDRM
C#CCN1CCC[C@H](NS(=O)(=O)c2cc([O-])cc(F)c2)C1	ZINC000885507959	667679303	/nfs/dbraw/zinc/67/93/03/667679303.db2.gz	AGMPMSSXAGNLGW-LBPRGKRZSA-N	-1	0	312.366	0.907	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ncc2n1CCCC2	ZINC000870134647	667712631	/nfs/dbraw/zinc/71/26/31/667712631.db2.gz	RKPCZSGDESIUQZ-GFCCVEGCSA-N	-1	0	304.350	0.695	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C)c(N2CCOCC2)c1	ZINC000870155037	667715747	/nfs/dbraw/zinc/71/57/47/667715747.db2.gz	RRLXGXXXSGSIMX-CYBMUJFWSA-N	-1	0	301.346	0.900	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]2CCCO2)CC1	ZINC000870832679	667764976	/nfs/dbraw/zinc/76/49/76/667764976.db2.gz	DEQIZZTUTVJZDY-GHMZBOCLSA-N	-1	0	303.380	0.735	20	30		DCEDRM
C#CCC1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCCCC1	ZINC000886653706	667786917	/nfs/dbraw/zinc/78/69/17/667786917.db2.gz	YVGMVQBLXQNDSH-UHFFFAOYSA-N	-1	0	313.361	0.914	20	30		DCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC000744242217	667824200	/nfs/dbraw/zinc/82/42/00/667824200.db2.gz	VZDDDOIMQPTSBU-JTQLQIEISA-N	-1	0	311.363	0.638	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C2CCOCC2)c1	ZINC000750416800	667978055	/nfs/dbraw/zinc/97/80/55/667978055.db2.gz	QHXIMPCTDOWWFZ-UHFFFAOYSA-N	-1	0	308.359	0.931	20	30		DCEDRM
CC(=NN[C@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758085665	668156031	/nfs/dbraw/zinc/15/60/31/668156031.db2.gz	ZTTNSQRXCJMZRH-VIFPVBQESA-N	-1	0	313.335	0.801	20	30		DCEDRM
COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000758505431	668180566	/nfs/dbraw/zinc/18/05/66/668180566.db2.gz	RHUCIVCZNYBAFR-SECBINFHSA-N	-1	0	310.331	0.562	20	30		DCEDRM
O=C(C/N=C1/NS(=O)(=O)c2ccccc21)[N-]OCC(F)F	ZINC000760148068	668259636	/nfs/dbraw/zinc/25/96/36/668259636.db2.gz	NOZVLWOAXAQYDE-UHFFFAOYSA-N	-1	0	319.289	0.038	20	30		DCEDRM
COC(=O)c1cncc(C([O-])=C(C#N)C(=O)N2CCCC2)c1	ZINC000760198411	668263069	/nfs/dbraw/zinc/26/30/69/668263069.db2.gz	UTLZZCSGXDNVQI-LBPRGKRZSA-N	-1	0	301.302	0.813	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCc3n[nH]cc3C2)CCC1	ZINC000764074003	668433566	/nfs/dbraw/zinc/43/35/66/668433566.db2.gz	GFHOBTIAOMWUSZ-SNVBAGLBSA-N	-1	0	322.390	0.654	20	30		DCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000764151621	668435554	/nfs/dbraw/zinc/43/55/54/668435554.db2.gz	OMZMSKUPFPXLBC-JTQLQIEISA-N	-1	0	312.347	0.418	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1	ZINC000765109554	668476212	/nfs/dbraw/zinc/47/62/12/668476212.db2.gz	LJNBVRCELPGBHX-GFCCVEGCSA-N	-1	0	312.333	0.856	20	30		DCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000765650156	668503889	/nfs/dbraw/zinc/50/38/89/668503889.db2.gz	IWZUXUSJXGJMRZ-UHFFFAOYSA-N	-1	0	318.358	0.534	20	30		DCEDRM
CC[C@H](CNC(=O)C(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000927935481	668534107	/nfs/dbraw/zinc/53/41/07/668534107.db2.gz	DWHDHOGEWFLVDI-CYBMUJFWSA-N	-1	0	302.330	0.381	20	30		DCEDRM
CON=C(C)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1	ZINC000767490518	668575055	/nfs/dbraw/zinc/57/50/55/668575055.db2.gz	LIIGYXYPXBLAHV-UHFFFAOYSA-N	-1	0	300.336	0.810	20	30		DCEDRM
O=C([O-])Cn1cc(CN=Nc2nc(-c3ccccc3)no2)nn1	ZINC000768484825	668612087	/nfs/dbraw/zinc/61/20/87/668612087.db2.gz	XNJWNINSQVFOGM-UHFFFAOYSA-N	-1	0	313.277	0.859	20	30		DCEDRM
CCOC(=O)c1nn(C)cc1C=NNc1nnc(C)c(=O)[n-]1	ZINC000769775136	668661521	/nfs/dbraw/zinc/66/15/21/668661521.db2.gz	CBDWDUZFLJLBDD-UHFFFAOYSA-N	-1	0	305.298	0.242	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cncc(OC(C)C)c1	ZINC000770101562	668679477	/nfs/dbraw/zinc/67/94/77/668679477.db2.gz	XRKPIMIYQJYFQO-ZDUSSCGKSA-N	-1	0	305.334	0.954	20	30		DCEDRM
Cc1[n-]n2c(nc3ccccc3c2=O)c1C=NN1C(=O)CNC1=O	ZINC000770615761	668702609	/nfs/dbraw/zinc/70/26/09/668702609.db2.gz	FRESCAHMRNKAJW-UHFFFAOYSA-N	-1	0	324.300	0.370	20	30		DCEDRM
Cc1sc(=O)n(CC(=O)C(C#N)=C([O-])c2nccn2C)c1C	ZINC000770866003	668720617	/nfs/dbraw/zinc/72/06/17/668720617.db2.gz	MUFGBRMOECCNHI-SNVBAGLBSA-N	-1	0	318.358	0.852	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(Cn2cncn2)cc1	ZINC000772715266	668781863	/nfs/dbraw/zinc/78/18/63/668781863.db2.gz	HDKYYLBEXQWTIQ-UHFFFAOYSA-N	-1	0	306.347	0.572	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)cs1	ZINC000772713760	668781873	/nfs/dbraw/zinc/78/18/73/668781873.db2.gz	WXRGZMPCHSLVRH-UHFFFAOYSA-N	-1	0	309.390	0.397	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1	ZINC000772715809	668782141	/nfs/dbraw/zinc/78/21/41/668782141.db2.gz	TVAMLIRCMVMNQP-UHFFFAOYSA-N	-1	0	309.409	0.366	20	30		DCEDRM
C[C@@]1(CCCC(=O)Nc2cc(C#N)ccc2[O-])NC(=O)NC1=O	ZINC000772717539	668782281	/nfs/dbraw/zinc/78/22/81/668782281.db2.gz	MQKNAALZTJTCQD-HNNXBMFYSA-N	-1	0	316.317	0.971	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](CCCC)NC(=O)NCC	ZINC000772717762	668782366	/nfs/dbraw/zinc/78/23/66/668782366.db2.gz	HKGWLYDTDDPYJE-JTQLQIEISA-N	-1	0	305.400	0.496	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)C(C)(C)C	ZINC000772721143	668782489	/nfs/dbraw/zinc/78/24/89/668782489.db2.gz	GIOXVYHQJSTPNA-SECBINFHSA-N	-1	0	320.436	0.566	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)c(F)c1	ZINC000774044146	668820709	/nfs/dbraw/zinc/82/07/09/668820709.db2.gz	QYJHUBGTMVWEMX-NSHDSACASA-N	-1	0	321.308	0.869	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C1=O	ZINC000774100256	668822622	/nfs/dbraw/zinc/82/26/22/668822622.db2.gz	PPRDQQJOTHHLJN-NSHDSACASA-N	-1	0	321.358	0.150	20	30		DCEDRM
O=C([O-])Cn1cc(/C=C2/CC(=O)Nc3ccccc3C2=O)nn1	ZINC000774141298	668823804	/nfs/dbraw/zinc/82/38/04/668823804.db2.gz	LFMPQYNRKYGCFM-UITAMQMPSA-N	-1	0	312.285	0.971	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000775247011	668859579	/nfs/dbraw/zinc/85/95/79/668859579.db2.gz	ZBLFFXAUOYLKGA-JTQLQIEISA-N	-1	0	312.347	0.495	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1ccc(OCC#N)cc1	ZINC000776116865	668870937	/nfs/dbraw/zinc/87/09/37/668870937.db2.gz	BIMYYKPZLSWBDE-UHFFFAOYSA-N	-1	0	321.358	0.881	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000776116478	668870960	/nfs/dbraw/zinc/87/09/60/668870960.db2.gz	SJQVOZVNMSCXMB-UHFFFAOYSA-N	-1	0	312.307	0.540	20	30		DCEDRM
CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000776116721	668871043	/nfs/dbraw/zinc/87/10/43/668871043.db2.gz	XYPVQXAWZFXIFX-UHFFFAOYSA-N	-1	0	309.347	0.410	20	30		DCEDRM
CC(C)(C)N1C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)CC1=O	ZINC000776122172	668871199	/nfs/dbraw/zinc/87/11/99/668871199.db2.gz	LZYMLPQZXUTXAL-SNVBAGLBSA-N	-1	0	315.395	0.383	20	30		DCEDRM
COCc1nc(C)c(C(=O)[N-]S(=O)(=O)CCCC#N)s1	ZINC000776121629	668871285	/nfs/dbraw/zinc/87/12/85/668871285.db2.gz	GYDCTBICAZMTBH-UHFFFAOYSA-N	-1	0	317.392	0.961	20	30		DCEDRM
Cc1cc(OCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)no1	ZINC000776139962	668871724	/nfs/dbraw/zinc/87/17/24/668871724.db2.gz	YDGCYWQSZQNHAC-UHFFFAOYSA-N	-1	0	301.324	0.358	20	30		DCEDRM
CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1	ZINC000776145567	668871776	/nfs/dbraw/zinc/87/17/76/668871776.db2.gz	DBVVZMQGSMNUFY-ZDUSSCGKSA-N	-1	0	315.395	0.241	20	30		DCEDRM
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cn1	ZINC000776146504	668871902	/nfs/dbraw/zinc/87/19/02/668871902.db2.gz	OZHPIFHUZAUVIM-UHFFFAOYSA-N	-1	0	324.362	0.051	20	30		DCEDRM
C#C[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)[C@H]1CCCO1	ZINC000776268133	668874491	/nfs/dbraw/zinc/87/44/91/668874491.db2.gz	AQBITEFDMCDMTR-QWHCGFSZSA-N	-1	0	313.313	0.941	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000776596008	668878829	/nfs/dbraw/zinc/87/88/29/668878829.db2.gz	BZKQQZBYGMOXTE-SECBINFHSA-N	-1	0	311.319	0.921	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1Cl	ZINC000778769376	668903769	/nfs/dbraw/zinc/90/37/69/668903769.db2.gz	MJNLCOFHQLRXCT-LLVKDONJSA-N	-1	0	318.724	0.938	20	30		DCEDRM
COCCCOCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779319818	668909686	/nfs/dbraw/zinc/90/96/86/668909686.db2.gz	NPHMGGNOHKQJGN-UHFFFAOYSA-N	-1	0	318.395	0.569	20	30		DCEDRM
CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779320333	668909759	/nfs/dbraw/zinc/90/97/59/668909759.db2.gz	VXCNYRNKGOCCNS-MNOVXSKESA-N	-1	0	300.380	0.941	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000780574110	668996262	/nfs/dbraw/zinc/99/62/62/668996262.db2.gz	AOZBPJNDPBXGTL-ZDUSSCGKSA-N	-1	0	318.329	0.694	20	30		DCEDRM
CC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000781601202	669051648	/nfs/dbraw/zinc/05/16/48/669051648.db2.gz	BNCGYZBDJIKOBQ-JTQLQIEISA-N	-1	0	300.311	0.927	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000781599004	669051883	/nfs/dbraw/zinc/05/18/83/669051883.db2.gz	GVEVSYGKRHDHBC-UHFFFAOYSA-N	-1	0	313.335	0.759	20	30		DCEDRM
CCC1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)COC1	ZINC000781593907	669052143	/nfs/dbraw/zinc/05/21/43/669052143.db2.gz	RLHHRRVVMGHYCN-UHFFFAOYSA-N	-1	0	312.322	0.929	20	30		DCEDRM
CCO[C@H]1C[C@H]1C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783046817	669141582	/nfs/dbraw/zinc/14/15/82/669141582.db2.gz	NIRGEXCOOXNOHB-MNOVXSKESA-N	-1	0	302.290	0.775	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000783123889	669144173	/nfs/dbraw/zinc/14/41/73/669144173.db2.gz	JYXNBGFSTCWHER-YPMHNXCESA-N	-1	0	305.396	0.840	20	30		DCEDRM
COc1cc(C=NN2CC(=O)NC2=O)ccc1OCCC(=O)[O-]	ZINC000783816626	669176986	/nfs/dbraw/zinc/17/69/86/669176986.db2.gz	RHYFPMIQOMMHEL-UHFFFAOYSA-N	-1	0	321.289	0.434	20	30		DCEDRM
NC(=O)CNC(=S)NN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000783841914	669178328	/nfs/dbraw/zinc/17/83/28/669178328.db2.gz	HLUGCPSZVIMCNU-UHFFFAOYSA-N	-1	0	314.754	0.322	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@@H]1C[C@@]13CCOC3)cc2=O	ZINC000784734758	669219289	/nfs/dbraw/zinc/21/92/89/669219289.db2.gz	OBYVDCDEAVYHIB-XHDPSFHLSA-N	-1	0	314.301	0.776	20	30		DCEDRM
COc1cccnc1CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000810657398	669420591	/nfs/dbraw/zinc/42/05/91/669420591.db2.gz	XRDUUTTUEPNUFV-UHFFFAOYSA-N	-1	0	311.363	0.628	20	30		DCEDRM
CS(=O)(=O)CCNN=C1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000789018347	669467483	/nfs/dbraw/zinc/46/74/83/669467483.db2.gz	TUZHZZXJGVHSQB-GFCCVEGCSA-N	-1	0	310.375	0.987	20	30		DCEDRM
CCOC(=O)C(C)(C)CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000805910179	669533933	/nfs/dbraw/zinc/53/39/33/669533933.db2.gz	NUZCXUXUCNERIB-UHFFFAOYSA-N	-1	0	304.368	0.716	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C1CCN(CC(F)F)CC1	ZINC000805910152	669534067	/nfs/dbraw/zinc/53/40/67/669534067.db2.gz	MKPBWUNXIRAGSN-UHFFFAOYSA-N	-1	0	323.365	0.713	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)COCc1ccccn1	ZINC000805910527	669536257	/nfs/dbraw/zinc/53/62/57/669536257.db2.gz	SDRTVSNQBDZRRT-UHFFFAOYSA-N	-1	0	311.363	0.594	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COCc2cccnc2)CCC1	ZINC000805920709	669547659	/nfs/dbraw/zinc/54/76/59/669547659.db2.gz	WRWIDCJUBFQOQX-UHFFFAOYSA-N	-1	0	323.374	0.738	20	30		DCEDRM
C[C@](O)(Cn1ccccc1=O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000791140616	669594986	/nfs/dbraw/zinc/59/49/86/669594986.db2.gz	SGTYEDOSWDBMAR-INIZCTEOSA-N	-1	0	313.313	0.815	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc(OC)c(Cl)c1	ZINC000793123774	669702131	/nfs/dbraw/zinc/70/21/31/669702131.db2.gz	JJULXCNXIDSSJD-SECBINFHSA-N	-1	0	311.725	0.829	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2COc3ccccc3C2)CC1	ZINC000793194657	669706842	/nfs/dbraw/zinc/70/68/42/669706842.db2.gz	TYWRUXXRVZIIJN-GFCCVEGCSA-N	-1	0	320.370	0.987	20	30		DCEDRM
CCc1nc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cs1	ZINC000793198425	669707511	/nfs/dbraw/zinc/70/75/11/669707511.db2.gz	YPUXALJUJGXLDM-UHFFFAOYSA-N	-1	0	313.404	0.998	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000793203437	669707697	/nfs/dbraw/zinc/70/76/97/669707697.db2.gz	LFWLTVRUNKKGHA-UHFFFAOYSA-N	-1	0	323.330	0.887	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCCOC2)CCC1	ZINC000796850466	669944251	/nfs/dbraw/zinc/94/42/51/669944251.db2.gz	KYWNCQKACKFHPI-NSHDSACASA-N	-1	0	300.380	0.943	20	30		DCEDRM
CCc1occc1C([O-])=C(C#N)C(=O)N1CCS(=O)(=O)CC1	ZINC000797554832	669971321	/nfs/dbraw/zinc/97/13/21/669971321.db2.gz	YWLOZXVDOAQNAG-NSHDSACASA-N	-1	0	324.358	0.421	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC000191247942	669996565	/nfs/dbraw/zinc/99/65/65/669996565.db2.gz	FTHMJXYCQGPJAT-UHFFFAOYSA-N	-1	0	310.310	0.897	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000803003207	670232517	/nfs/dbraw/zinc/23/25/17/670232517.db2.gz	VTVSZEKYWPEYHW-NEPJUHHUSA-N	-1	0	305.396	0.840	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000803001685	670232710	/nfs/dbraw/zinc/23/27/10/670232710.db2.gz	MLPPYHKYFVFJKG-SNVBAGLBSA-N	-1	0	311.363	0.383	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(S(=O)(=O)C(C)C)cc1	ZINC000193644473	670322021	/nfs/dbraw/zinc/32/20/21/670322021.db2.gz	JODDUDZNDIBKLK-LBPRGKRZSA-N	-1	0	308.359	0.937	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)o1	ZINC000806637605	670324090	/nfs/dbraw/zinc/32/40/90/670324090.db2.gz	NITYUWPBHCSEBD-UHFFFAOYSA-N	-1	0	314.319	0.406	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)Cn2cc(Cl)cn2)c1	ZINC000808977722	670433080	/nfs/dbraw/zinc/43/30/80/670433080.db2.gz	VERMFIAKAXYDBF-UHFFFAOYSA-N	-1	0	324.749	0.913	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000809033477	670438756	/nfs/dbraw/zinc/43/87/56/670438756.db2.gz	RYCYDUDUYDAYLS-ZDUSSCGKSA-N	-1	0	315.395	0.762	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cc1F	ZINC000810403775	670484280	/nfs/dbraw/zinc/48/42/80/670484280.db2.gz	ZFAZCHUITHAGDT-VIFPVBQESA-N	-1	0	307.281	0.720	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)CCCCC(N)=O	ZINC000810586154	670490684	/nfs/dbraw/zinc/49/06/84/670490684.db2.gz	XXCBLRMDGUSIBE-UHFFFAOYSA-N	-1	0	323.374	0.717	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC	ZINC000810681523	670493091	/nfs/dbraw/zinc/49/30/91/670493091.db2.gz	JYRYWJOHTBCCAY-UWVGGRQHSA-N	-1	0	303.380	0.680	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1C(F)(F)F	ZINC000810770908	670496614	/nfs/dbraw/zinc/49/66/14/670496614.db2.gz	DKNODPLJIJJMKO-UHFFFAOYSA-N	-1	0	309.269	0.522	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1nc(-c2ccco2)no1	ZINC000810773636	670496929	/nfs/dbraw/zinc/49/69/29/670496929.db2.gz	JKDQEIZIIBAPJR-UHFFFAOYSA-N	-1	0	323.330	0.732	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc2c(cc1OC)OCO2	ZINC000810776164	670497220	/nfs/dbraw/zinc/49/72/20/670497220.db2.gz	ITTLXRHLZLGCAJ-UHFFFAOYSA-N	-1	0	311.315	0.507	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nc[nH]n2)cc1	ZINC000810781360	670497700	/nfs/dbraw/zinc/49/77/00/670497700.db2.gz	PNVVGGTXWRIMSO-UHFFFAOYSA-N	-1	0	304.331	0.555	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCc1nc(C2CC2)no1	ZINC000810785133	670497943	/nfs/dbraw/zinc/49/79/43/670497943.db2.gz	YJNROFCQEQYKSI-UHFFFAOYSA-N	-1	0	311.363	0.739	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(N2CCCCC2)n1	ZINC000810784419	670498065	/nfs/dbraw/zinc/49/80/65/670498065.db2.gz	DXPHTNJRQUQYCD-UHFFFAOYSA-N	-1	0	322.390	0.550	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(O[C@@H]2CCOC2)cc1	ZINC000810783362	670498100	/nfs/dbraw/zinc/49/81/00/670498100.db2.gz	MDQTYYDVIASXBT-CQSZACIVSA-N	-1	0	323.370	0.937	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000810830310	670498886	/nfs/dbraw/zinc/49/88/86/670498886.db2.gz	NAVLXFGAOBGBQW-GFCCVEGCSA-N	-1	0	317.367	0.599	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2c(C)nn(C)c2OC)CC1	ZINC000810982084	670501704	/nfs/dbraw/zinc/50/17/04/670501704.db2.gz	XZNBXOCKIGRLRT-UHFFFAOYSA-N	-1	0	313.379	0.905	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cnc3n[nH]nc3c2)CC1	ZINC000810980398	670501832	/nfs/dbraw/zinc/50/18/32/670501832.db2.gz	WEHSUDLNKXWQEG-UHFFFAOYSA-N	-1	0	307.335	0.521	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC	ZINC000811144309	670510224	/nfs/dbraw/zinc/51/02/24/670510224.db2.gz	IWPMWVHLYNLLIG-UHFFFAOYSA-N	-1	0	307.368	0.224	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@@H]2C(=O)Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000854610414	670597108	/nfs/dbraw/zinc/59/71/08/670597108.db2.gz	HKIZFHQTECVRTE-LLVKDONJSA-N	-1	0	314.305	0.300	20	30		DCEDRM
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1ccsc1	ZINC000112495384	670607801	/nfs/dbraw/zinc/60/78/01/670607801.db2.gz	ACGGXOCSWFBSHL-JTQLQIEISA-N	-1	0	312.372	0.328	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCc2cccnc2)c1	ZINC000813982153	670667668	/nfs/dbraw/zinc/66/76/68/670667668.db2.gz	SQYCOLDUKJTTHC-UHFFFAOYSA-N	-1	0	316.342	0.786	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000813988062	670669900	/nfs/dbraw/zinc/66/99/00/670669900.db2.gz	CCQWMCUKXIHPSS-UHFFFAOYSA-N	-1	0	310.360	0.780	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)[N-]OC1CCOCC1	ZINC000814181462	670679270	/nfs/dbraw/zinc/67/92/70/670679270.db2.gz	ZXKDRRVUQUSJMX-DGCLKSJQSA-N	-1	0	312.366	0.311	20	30		DCEDRM
Cc1ccc(F)c(NC(=S)NN=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000814219998	670681149	/nfs/dbraw/zinc/68/11/49/670681149.db2.gz	UTAWPHUMSXUHIR-UHFFFAOYSA-N	-1	0	323.309	0.143	20	30		DCEDRM
COc1cccc(-c2n[nH]cc2C=Nn2c(=O)[n-][nH]c2=O)c1	ZINC000814939849	670709291	/nfs/dbraw/zinc/70/92/91/670709291.db2.gz	GJIYRTNYKMSQKD-UHFFFAOYSA-N	-1	0	300.278	0.970	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C	ZINC000855606246	670734799	/nfs/dbraw/zinc/73/47/99/670734799.db2.gz	DZYLDHMVECJUMP-HNNXBMFYSA-N	-1	0	304.346	0.887	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCc1ccc2c(c1)CCO2	ZINC000849218609	670765772	/nfs/dbraw/zinc/76/57/72/670765772.db2.gz	CUFINSJFRMPSPY-UHFFFAOYSA-N	-1	0	323.370	0.514	20	30		DCEDRM
C=CCCO[N-]C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21	ZINC000856029415	670776974	/nfs/dbraw/zinc/77/69/74/670776974.db2.gz	MJKBIOYFUJXKIV-UHFFFAOYSA-N	-1	0	323.374	0.691	20	30		DCEDRM
CCn1nncc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000816033215	670781418	/nfs/dbraw/zinc/78/14/18/670781418.db2.gz	FSRMWGBAVOQPEI-UHFFFAOYSA-N	-1	0	323.309	0.427	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2ccccc2[O-])CCN1C1CC1	ZINC000849375197	670782747	/nfs/dbraw/zinc/78/27/47/670782747.db2.gz	QIWSCSDYZNHVCX-LBPRGKRZSA-N	-1	0	307.375	0.753	20	30		DCEDRM
CO[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000816095368	670786166	/nfs/dbraw/zinc/78/61/66/670786166.db2.gz	ZMRLKXBVYIXZJO-VXGBXAGGSA-N	-1	0	323.374	0.963	20	30		DCEDRM
CCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cn1	ZINC000114617166	670857766	/nfs/dbraw/zinc/85/77/66/670857766.db2.gz	UEXDMSVFXQPJRW-UHFFFAOYSA-N	-1	0	304.331	0.893	20	30		DCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1n[n-]c2ccccc2c1=O	ZINC000816755615	670860622	/nfs/dbraw/zinc/86/06/22/670860622.db2.gz	DZUGWJUTDYYQKD-SNVBAGLBSA-N	-1	0	302.290	0.445	20	30		DCEDRM
N#Cc1cnn(C([O-])=C(C[C@H]2COCCO2)C(F)(F)F)c1N	ZINC000857039715	670876721	/nfs/dbraw/zinc/87/67/21/670876721.db2.gz	GSSYXBNSFWBGII-DTWKUNHWSA-N	-1	0	318.255	0.961	20	30		DCEDRM
C#CCCCCNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000817110495	670894898	/nfs/dbraw/zinc/89/48/98/670894898.db2.gz	GIBFVGRSCUKPEI-UHFFFAOYSA-N	-1	0	302.330	0.921	20	30		DCEDRM
C#CCN(CC(=O)N(C)Cc1n[n-]c(=O)o1)C(=O)OC(C)(C)C	ZINC000857295008	670908203	/nfs/dbraw/zinc/90/82/03/670908203.db2.gz	NQXGHFMZPJFZST-UHFFFAOYSA-N	-1	0	324.337	0.604	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc2c1CCN(C)C2=O	ZINC000850478552	670916872	/nfs/dbraw/zinc/91/68/72/670916872.db2.gz	VLLFELJFQSFPHJ-SNVBAGLBSA-N	-1	0	317.345	0.876	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncnc2ccsc21	ZINC000850757873	670938635	/nfs/dbraw/zinc/93/86/35/670938635.db2.gz	SQHTVPHWNGLSND-MRVPVSSYSA-N	-1	0	304.331	0.776	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000817880061	670950140	/nfs/dbraw/zinc/95/01/40/670950140.db2.gz	LBZKAMWHYZXAJK-UHFFFAOYSA-N	-1	0	318.329	0.408	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1	ZINC000850934293	670955915	/nfs/dbraw/zinc/95/59/15/670955915.db2.gz	FGVVKRYPJFPGNU-SNVBAGLBSA-N	-1	0	323.374	0.743	20	30		DCEDRM
CO[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)C1	ZINC000850960308	670958078	/nfs/dbraw/zinc/95/80/78/670958078.db2.gz	DGJDMZBKDASOOB-MNOVXSKESA-N	-1	0	300.380	0.941	20	30		DCEDRM
CC1(C)OC[C@H]2C[C@]21C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000850960515	670958166	/nfs/dbraw/zinc/95/81/66/670958166.db2.gz	ITCMABGBICKNIA-QMTHXVAHSA-N	-1	0	312.391	0.941	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(C(=O)OC(C)(C)C)CCC1	ZINC000850999237	670960232	/nfs/dbraw/zinc/96/02/32/670960232.db2.gz	BABVBAWLJAIUFW-UHFFFAOYSA-N	-1	0	315.391	0.968	20	30		DCEDRM
COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)c1	ZINC000850999271	670960394	/nfs/dbraw/zinc/96/03/94/670960394.db2.gz	AULABUHXGISWJS-JTQLQIEISA-N	-1	0	324.358	0.969	20	30		DCEDRM
COCC1(S(=O)(=O)[N-]C(=O)c2ccc(C#N)c(OC)c2)CC1	ZINC000851034644	670963043	/nfs/dbraw/zinc/96/30/43/670963043.db2.gz	RKVGBLXKEGYZLX-UHFFFAOYSA-N	-1	0	324.358	0.805	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C	ZINC000851175620	670972741	/nfs/dbraw/zinc/97/27/41/670972741.db2.gz	JCOXXZHZGGFFLG-MRVPVSSYSA-N	-1	0	307.335	0.323	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1OC	ZINC000851507146	670994714	/nfs/dbraw/zinc/99/47/14/670994714.db2.gz	XDSSGYFWHLVPNJ-SECBINFHSA-N	-1	0	315.322	0.678	20	30		DCEDRM
COC(=O)c1oc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)cc1C	ZINC000851512577	670995764	/nfs/dbraw/zinc/99/57/64/670995764.db2.gz	UGDRVZMUKJBYLD-ZETCQYMHSA-N	-1	0	314.319	0.729	20	30		DCEDRM
C[C@@H]1CC[C@H](NC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1	ZINC000858379161	670998292	/nfs/dbraw/zinc/99/82/92/670998292.db2.gz	WPZDKKFVZDFRNS-KOLCDFICSA-N	-1	0	317.349	0.575	20	30		DCEDRM
C#C[C@H](NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C(C)C	ZINC000858422457	671003131	/nfs/dbraw/zinc/00/31/31/671003131.db2.gz	KPWXTUCFENPAPQ-LBPRGKRZSA-N	-1	0	315.333	0.045	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(S(C)(=O)=O)nc1	ZINC000819855546	671142213	/nfs/dbraw/zinc/14/22/13/671142213.db2.gz	DAAACATWJKVXOS-GFCCVEGCSA-N	-1	0	311.319	0.428	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)N2CCCCC2)nn1	ZINC000819959185	671150281	/nfs/dbraw/zinc/15/02/81/671150281.db2.gz	AYRGKXAPTJGRFP-UHFFFAOYSA-N	-1	0	313.383	0.315	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2c(cn1)OCCO2	ZINC000820318635	671191666	/nfs/dbraw/zinc/19/16/66/671191666.db2.gz	CLDUUUGAXJQZRK-VIFPVBQESA-N	-1	0	312.285	0.792	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)c1	ZINC000860444751	671209304	/nfs/dbraw/zinc/20/93/04/671209304.db2.gz	GLHCLEBIEYQLQZ-NFFDBFGFSA-N	-1	0	314.297	0.923	20	30		DCEDRM
COC1CC(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)C1	ZINC000860448106	671209926	/nfs/dbraw/zinc/20/99/26/671209926.db2.gz	ITDXNZXTIKENJC-UHFFFAOYSA-N	-1	0	308.359	0.929	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nn(C)c2ccccc21	ZINC000860470073	671211978	/nfs/dbraw/zinc/21/19/78/671211978.db2.gz	WPUBESXGAWKKKH-NSHDSACASA-N	-1	0	300.318	0.658	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)C[C@H](COC)OC)OCC	ZINC000853205987	671218817	/nfs/dbraw/zinc/21/88/17/671218817.db2.gz	JLASLPOQBAFEKD-RYUDHWBXSA-N	-1	0	323.411	0.465	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cnn3c2OCCC3)c1C#N	ZINC000820802239	671229337	/nfs/dbraw/zinc/22/93/37/671229337.db2.gz	JHODYEQNOHBBJJ-UHFFFAOYSA-N	-1	0	308.323	0.370	20	30		DCEDRM
COC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)CC1	ZINC000861015571	671259910	/nfs/dbraw/zinc/25/99/10/671259910.db2.gz	NWGUDLYKLGYOEZ-UHFFFAOYSA-N	-1	0	312.322	0.822	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2)c1	ZINC000821584068	671284802	/nfs/dbraw/zinc/28/48/02/671284802.db2.gz	QITOWKBDTBNRBE-UHFFFAOYSA-N	-1	0	304.331	0.846	20	30		DCEDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000821584308	671284815	/nfs/dbraw/zinc/28/48/15/671284815.db2.gz	XZSUJQQUVPLDAL-UHFFFAOYSA-N	-1	0	316.360	0.063	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C	ZINC000821892225	671297714	/nfs/dbraw/zinc/29/77/14/671297714.db2.gz	ZERHTXUXDIYZDC-SNVBAGLBSA-N	-1	0	313.354	0.298	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)COc1nsnc1N1CCOCC1	ZINC000824232209	671424300	/nfs/dbraw/zinc/42/43/00/671424300.db2.gz	GNULPFDLHQVLDK-SECBINFHSA-N	-1	0	314.367	0.376	20	30		DCEDRM
CC(C)N(C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N)C(C)C	ZINC000824284880	671426227	/nfs/dbraw/zinc/42/62/27/671426227.db2.gz	QPHFFBXYCAVRJJ-UHFFFAOYSA-N	-1	0	302.342	0.580	20	30		DCEDRM
COc1cccc(C(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)c1	ZINC000826214008	671482070	/nfs/dbraw/zinc/48/20/70/671482070.db2.gz	WNAXHZMNUOQGJC-UHFFFAOYSA-N	-1	0	309.289	0.826	20	30		DCEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c(C)n1C	ZINC000826261129	671482780	/nfs/dbraw/zinc/48/27/80/671482780.db2.gz	SBMUWIJSDRBWGZ-UHFFFAOYSA-N	-1	0	311.309	0.669	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])c1	ZINC000831146782	671655977	/nfs/dbraw/zinc/65/59/77/671655977.db2.gz	YSVIDDAYDPUYAB-LBPRGKRZSA-N	-1	0	316.317	0.755	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1	ZINC000835036847	671786938	/nfs/dbraw/zinc/78/69/38/671786938.db2.gz	RHUDOVSLKRBOBL-NSHDSACASA-N	-1	0	309.343	0.732	20	30		DCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000835169614	671789932	/nfs/dbraw/zinc/78/99/32/671789932.db2.gz	XZRFPGNQUMOVDA-UHFFFAOYSA-N	-1	0	322.386	0.990	20	30		DCEDRM
CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C(C)(C)C	ZINC000835277168	671792190	/nfs/dbraw/zinc/79/21/90/671792190.db2.gz	XOANLYLKAWLBMD-SNVBAGLBSA-N	-1	0	317.411	0.533	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(OC)c1	ZINC000835296144	671792681	/nfs/dbraw/zinc/79/26/81/671792681.db2.gz	QALZIDWMFKPQPM-LLVKDONJSA-N	-1	0	311.359	0.680	20	30		DCEDRM
C[C@H]1CCN(c2cc(C(=O)[N-]S(=O)(=O)CCC#N)ccn2)C1	ZINC000835409103	671795504	/nfs/dbraw/zinc/79/55/04/671795504.db2.gz	RLVFVRABJFMARE-NSHDSACASA-N	-1	0	322.390	0.901	20	30		DCEDRM
CC(C)n1cc(S(=O)(=O)[N-]C(=O)c2cc(C#N)cn2C)cn1	ZINC000835825529	671807007	/nfs/dbraw/zinc/80/70/07/671807007.db2.gz	UDPHEKKYXUIWPW-UHFFFAOYSA-N	-1	0	321.362	0.793	20	30		DCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cccc(CCC(=O)OC)c1	ZINC000835970803	671811233	/nfs/dbraw/zinc/81/12/33/671811233.db2.gz	YVFHNRYMGCEUDM-UHFFFAOYSA-N	-1	0	306.318	0.965	20	30		DCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccc(CCC(=O)OC)cc1	ZINC000835972356	671811627	/nfs/dbraw/zinc/81/16/27/671811627.db2.gz	VZPPFOFIBLWLIK-UHFFFAOYSA-N	-1	0	306.318	0.965	20	30		DCEDRM
C=CCO[N-]C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O	ZINC000837043037	671843291	/nfs/dbraw/zinc/84/32/91/671843291.db2.gz	JSUBTADZISUQIN-OAHLLOKOSA-N	-1	0	321.308	0.827	20	30		DCEDRM
COc1ccc(C=NN2CCC[C@@H]2CO)c(OCC(=O)[O-])c1	ZINC000841660399	671946962	/nfs/dbraw/zinc/94/69/62/671946962.db2.gz	LNEKONXOCHWRJT-GFCCVEGCSA-N	-1	0	308.334	0.949	20	30		DCEDRM
C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)C[C@@H]1C(=O)[O-]	ZINC000843037928	672055241	/nfs/dbraw/zinc/05/52/41/672055241.db2.gz	ZFLPNKZSOUHDJL-CABZTGNLSA-N	-1	0	323.374	0.753	20	30		DCEDRM
Cc1c(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)cnn1C	ZINC000844818825	672204474	/nfs/dbraw/zinc/20/44/74/672204474.db2.gz	XPAHTYNDFGYCQX-UHFFFAOYSA-N	-1	0	311.363	0.217	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844816525	672204713	/nfs/dbraw/zinc/20/47/13/672204713.db2.gz	MJRBCEUZHHUBFC-UHFFFAOYSA-N	-1	0	311.363	0.217	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1	ZINC000844884666	672207727	/nfs/dbraw/zinc/20/77/27/672207727.db2.gz	KJCBSAOTDVLEDJ-UHFFFAOYSA-N	-1	0	322.386	0.253	20	30		DCEDRM
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC(=O)[N-]OCC	ZINC000845532721	672256086	/nfs/dbraw/zinc/25/60/86/672256086.db2.gz	NVUMBFPUCNIZJF-AWEZNQCLSA-N	-1	0	303.362	0.988	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1cccc(Cl)c1C#N	ZINC000846003821	672288367	/nfs/dbraw/zinc/28/83/67/672288367.db2.gz	PRPMWLJVCWWVHK-UHFFFAOYSA-N	-1	0	317.754	0.558	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccnc1N1CCOCC1	ZINC000846154792	672297780	/nfs/dbraw/zinc/29/77/80/672297780.db2.gz	NBGMKJRXPAPLQL-NSHDSACASA-N	-1	0	320.349	0.479	20	30		DCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)nc1	ZINC000813985343	685351682	/nfs/dbraw/zinc/35/16/82/685351682.db2.gz	XBZHWBSFNQEBOH-UHFFFAOYSA-N	-1	0	302.315	0.775	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCO[C@@H](C#N)C2)ccc1C(=O)[O-]	ZINC000385780220	685247486	/nfs/dbraw/zinc/24/74/86/685247486.db2.gz	MIRGJDODIQGDFM-JTQLQIEISA-N	-1	0	310.331	0.606	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC000964842304	689313338	/nfs/dbraw/zinc/31/33/38/689313338.db2.gz	FUISWURVSROZFQ-ONGXEEELSA-N	-1	0	319.365	0.694	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001008582099	690894028	/nfs/dbraw/zinc/89/40/28/690894028.db2.gz	LLKPTICDDOWADM-UTUOFQBUSA-N	-1	0	321.381	0.182	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2=CCN(C(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC001017387891	692902872	/nfs/dbraw/zinc/90/28/72/692902872.db2.gz	MAIHOJIYNCGRNA-VIFPVBQESA-N	-1	0	317.349	0.472	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC(C)(NC(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC001072949186	694687801	/nfs/dbraw/zinc/68/78/01/694687801.db2.gz	BKPSBZAXGNPQCQ-SECBINFHSA-N	-1	0	319.365	0.694	20	30		DCEDRM
C[C@@H](NC(=O)C#CC1CC1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001571644039	1162873554	/nfs/dbraw/zinc/87/35/54/1162873554.db2.gz	ZYNFXVWGGDTQAF-LLVKDONJSA-N	-1	0	317.393	0.640	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC1(C(N)=O)CCCCC1	ZINC001464598356	1159766420	/nfs/dbraw/zinc/76/64/20/1159766420.db2.gz	APQIZSNBRFFUDN-UHFFFAOYSA-N	-1	0	302.334	0.885	20	30		DCEDRM
C=CCOCC(=O)N1CCCCC[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1	ZINC001566067557	1159959074	/nfs/dbraw/zinc/95/90/74/1159959074.db2.gz	MWYDYZDHNKKPBC-LBPRGKRZSA-N	-1	0	323.397	0.574	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCCc2cccs2)c(=O)[n-]c1=O	ZINC001566420107	1159974567	/nfs/dbraw/zinc/97/45/67/1159974567.db2.gz	JNNVYOIDKXBXLI-UHFFFAOYSA-N	-1	0	318.358	0.631	20	30		DCEDRM
C=CC(C)(C)C(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC001567802950	1160485846	/nfs/dbraw/zinc/48/58/46/1160485846.db2.gz	WCZUEFCWVMMJKJ-UHFFFAOYSA-N	-1	0	315.377	0.535	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)NCCc1nc(C(=O)[O-])cs1	ZINC001573407881	1163429851	/nfs/dbraw/zinc/42/98/51/1163429851.db2.gz	QXCAPIRPMJUUAL-UHFFFAOYSA-N	-1	0	317.392	0.853	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	ZINC001573536099	1163461789	/nfs/dbraw/zinc/46/17/89/1163461789.db2.gz	UUDQSUMLBRORSW-MMWGEVLESA-N	-1	0	301.368	0.403	20	30		DCEDRM
C[C@H](NC(=O)C1(C#N)CCSCC1)c1nc(C(=O)[O-])n[nH]1	ZINC001573560312	1163501476	/nfs/dbraw/zinc/50/14/76/1163501476.db2.gz	SOYREERHWXDNHL-ZETCQYMHSA-N	-1	0	309.351	0.717	20	30		DCEDRM
C[C@@H](NC(=O)Cc1ccc(C#N)nc1)c1nc(C(=O)[O-])n[nH]1	ZINC001573563320	1163503045	/nfs/dbraw/zinc/50/30/45/1163503045.db2.gz	SRVMBRJIEPGHKI-SSDOTTSWSA-N	-1	0	300.278	0.189	20	30		DCEDRM
C[C@H](NC(=O)COc1ccc(C#N)cc1)c1nc(C(=O)[O-])n[nH]1	ZINC001573562544	1163504063	/nfs/dbraw/zinc/50/40/63/1163504063.db2.gz	NFACLKXBUKTQLV-QMMMGPOBSA-N	-1	0	315.289	0.631	20	30		DCEDRM
CC[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)C[C@]1(F)C(=O)[O-]	ZINC001573825835	1163561058	/nfs/dbraw/zinc/56/10/58/1163561058.db2.gz	JKQXSQKZXPXIPM-JOYOIKCWSA-N	-1	0	304.343	0.755	20	30		DCEDRM
N#Cc1c(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)nc2n1CCOC2	ZINC001574241297	1163671804	/nfs/dbraw/zinc/67/18/04/1163671804.db2.gz	KHUXBDPRKLUYMF-VIFPVBQESA-N	-1	0	319.321	0.613	20	30		DCEDRM
N#CCCn1ncc(C(=O)[O-])c1NC(=O)COC(F)(F)F	ZINC001574242633	1163671942	/nfs/dbraw/zinc/67/19/42/1163671942.db2.gz	XLYAPEFLJADNFA-UHFFFAOYSA-N	-1	0	306.200	0.970	20	30		DCEDRM
N#CCSc1cccc(C(=O)N(CC(N)=O)CC(=O)[O-])c1	ZINC001574240840	1163672476	/nfs/dbraw/zinc/67/24/76/1163672476.db2.gz	CSXFFIWCCKWHOQ-UHFFFAOYSA-N	-1	0	307.331	0.314	20	30		DCEDRM
CO[C@@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)[C@H](C)C1	ZINC001579619392	1165360873	/nfs/dbraw/zinc/36/08/73/1165360873.db2.gz	RBILQYBNVSPZHZ-RKDXNWHRSA-N	-1	0	300.326	0.532	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NCC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001580346184	1165576825	/nfs/dbraw/zinc/57/68/25/1165576825.db2.gz	DKFZWGGMCMSJDR-MWLCHTKSSA-N	-1	0	322.365	0.087	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC[C@@](F)(C#N)C1	ZINC001580596849	1165649506	/nfs/dbraw/zinc/64/95/06/1165649506.db2.gz	ABOCBVVWOKCCKN-CYBMUJFWSA-N	-1	0	317.284	0.354	20	30		DCEDRM
C#CCOCCC(=O)NCCN(CC)C(=O)c1n[nH]c(C)c1[O-]	ZINC001581085196	1165784702	/nfs/dbraw/zinc/78/47/02/1165784702.db2.gz	IHGHYLXNHBXPAB-UHFFFAOYSA-N	-1	0	322.365	0.042	20	30		DCEDRM
Cc1cccnc1NC(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC001581266375	1165808668	/nfs/dbraw/zinc/80/86/68/1165808668.db2.gz	PEKUUAPDJDMVKN-UHFFFAOYSA-N	-1	0	309.293	0.277	20	30		DCEDRM
N#Cc1cccc(NC(=O)Cn2ccc(-c3nnn[n-]3)cc2=O)c1	ZINC001581875773	1165896930	/nfs/dbraw/zinc/89/69/30/1165896930.db2.gz	OUIYAPIYIBKGIW-UHFFFAOYSA-N	-1	0	321.300	0.539	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@@H]2c2ncccn2)nc1-c1nnn[n-]1	ZINC001581882160	1165901827	/nfs/dbraw/zinc/90/18/27/1165901827.db2.gz	NGOIVNWTIILXIK-SNVBAGLBSA-N	-1	0	320.320	0.660	20	30		DCEDRM
N#Cc1ncc(NCc2nc3c([nH]2)CCCC3)nc1-c1nnn[n-]1	ZINC001581884111	1165904475	/nfs/dbraw/zinc/90/44/75/1165904475.db2.gz	KZIKKJJBNJBLDE-UHFFFAOYSA-N	-1	0	322.336	0.742	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588332928	1166529611	/nfs/dbraw/zinc/52/96/11/1166529611.db2.gz	WJCOHRWBJGAEQT-NXEZZACHSA-N	-1	0	300.326	0.034	20	30		DCEDRM
C#CCC1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CCC1	ZINC001588335230	1166532449	/nfs/dbraw/zinc/53/24/49/1166532449.db2.gz	DFIONVHXGMZCAU-UHFFFAOYSA-N	-1	0	307.335	0.684	20	30		DCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001588406474	1166550953	/nfs/dbraw/zinc/55/09/53/1166550953.db2.gz	URBSRMQNNQEFSY-MRVPVSSYSA-N	-1	0	313.339	0.065	20	30		DCEDRM
C=C(C)CN(CC)C(=O)Cn1ccc(-c2nnn[n-]2)cc1=O	ZINC001588426236	1166554016	/nfs/dbraw/zinc/55/40/16/1166554016.db2.gz	RCEPWVRNRQMEQL-UHFFFAOYSA-N	-1	0	302.338	0.453	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccc(-c2nn[nH]n2)cc1OC	ZINC001588518481	1166560790	/nfs/dbraw/zinc/56/07/90/1166560790.db2.gz	DKRVPQRRFMZZMZ-SECBINFHSA-N	-1	0	319.321	0.876	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001588545698	1166561122	/nfs/dbraw/zinc/56/11/22/1166561122.db2.gz	LDBMXRVYEFJWKQ-VIFPVBQESA-N	-1	0	303.322	0.487	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(-c2nn[nH]n2)c1C	ZINC001588657788	1166573936	/nfs/dbraw/zinc/57/39/36/1166573936.db2.gz	WQFHVFJPXOVPEU-LBPRGKRZSA-N	-1	0	310.317	0.800	20	30		DCEDRM
C=CCn1cc(C(=O)NOc2cccc(-c3nn[nH]n3)c2)nn1	ZINC001588713829	1166582518	/nfs/dbraw/zinc/58/25/18/1166582518.db2.gz	VOZAUPAQOYOYBC-UHFFFAOYSA-N	-1	0	312.293	0.368	20	30		DCEDRM
CC1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCOCC1	ZINC001590070599	1166763112	/nfs/dbraw/zinc/76/31/12/1166763112.db2.gz	DLDNNISPNNCMLQ-UHFFFAOYSA-N	-1	0	302.298	0.217	20	30		DCEDRM
CCC[C@H](CCO)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590556525	1166941787	/nfs/dbraw/zinc/94/17/87/1166941787.db2.gz	QZRHAMWYNDQONQ-SECBINFHSA-N	-1	0	302.342	0.739	20	30		DCEDRM
CCCC[C@@](C)(CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590573844	1166946239	/nfs/dbraw/zinc/94/62/39/1166946239.db2.gz	LUWRPKNRYDRFPV-ZDUSSCGKSA-N	-1	0	302.342	0.881	20	30		DCEDRM
CCc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)n(C)n1	ZINC001590881130	1167044791	/nfs/dbraw/zinc/04/47/91/1167044791.db2.gz	NBWVWXQOVNGFQL-UHFFFAOYSA-N	-1	0	312.297	0.010	20	30		DCEDRM
CN(C)c1cccc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)n1	ZINC001591034616	1167087356	/nfs/dbraw/zinc/08/73/56/1167087356.db2.gz	BXRVKXNXQLWKHB-UHFFFAOYSA-N	-1	0	322.336	0.601	20	30		DCEDRM
CO[C@@H]1C[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1(C)C	ZINC001591349849	1167227640	/nfs/dbraw/zinc/22/76/40/1167227640.db2.gz	KVZYXHRUPJLWOQ-RKDXNWHRSA-N	-1	0	300.326	0.754	20	30		DCEDRM
COC[C@@H]1CCCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001591393072	1167260229	/nfs/dbraw/zinc/26/02/29/1167260229.db2.gz	UDAISQLMNIPVRI-VIFPVBQESA-N	-1	0	300.326	0.534	20	30		DCEDRM
COCCSCCCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC001591447491	1167289207	/nfs/dbraw/zinc/28/92/07/1167289207.db2.gz	PAZGXGFPOKYYKE-UHFFFAOYSA-N	-1	0	308.371	0.287	20	30		DCEDRM
COc1coc(Cn2c(C)nc(-c3nnn[n-]3)c2C#N)cc1=O	ZINC001591659845	1167344376	/nfs/dbraw/zinc/34/43/76/1167344376.db2.gz	LDTDAHHDNZSXIE-UHFFFAOYSA-N	-1	0	313.277	0.253	20	30		DCEDRM
C[C@H](O)C1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001591769949	1167372613	/nfs/dbraw/zinc/37/26/13/1167372613.db2.gz	FMMXPUZKMUZTSG-QMMMGPOBSA-N	-1	0	300.326	0.126	20	30		DCEDRM
Cc1ccccc1CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001592254168	1167477726	/nfs/dbraw/zinc/47/77/26/1167477726.db2.gz	WWSSWDLPYMDWMG-UHFFFAOYSA-N	-1	0	308.305	0.951	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)N1CCCCCC1	ZINC001592335198	1167491210	/nfs/dbraw/zinc/49/12/10/1167491210.db2.gz	ORFAWJLWIAUULI-UHFFFAOYSA-N	-1	0	314.353	0.646	20	30		DCEDRM
O=C([O-])c1ccc(N=NCc2nc(-c3nn[nH]n3)cs2)nc1	ZINC001593282959	1167757599	/nfs/dbraw/zinc/75/75/99/1167757599.db2.gz	IQFUNRSBNOYFOO-UHFFFAOYSA-N	-1	0	316.306	0.862	20	30		DCEDRM
CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)Cn1cnc(C#N)n1	ZINC001596913233	1167997808	/nfs/dbraw/zinc/99/78/08/1167997808.db2.gz	NPNOTRGPNKGKSK-LLVKDONJSA-N	-1	0	323.353	0.126	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2ccc(C#N)n2C)[C@H](C(=O)[O-])C1	ZINC001598797358	1168040707	/nfs/dbraw/zinc/04/07/07/1168040707.db2.gz	NHGMIQBTARYECX-CABZTGNLSA-N	-1	0	319.317	0.375	20	30		DCEDRM
Cc1cc(C#N)nc(NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1	ZINC001600075511	1168111824	/nfs/dbraw/zinc/11/18/24/1168111824.db2.gz	CIOKBCMLAMLIAG-WDEREUQCSA-N	-1	0	315.333	0.438	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC001600074287	1168112226	/nfs/dbraw/zinc/11/22/26/1168112226.db2.gz	WHNMDVUFAVPERS-GFCCVEGCSA-N	-1	0	301.302	0.282	20	30		DCEDRM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC[C@](O)(CC#N)C1	ZINC001600123936	1168123476	/nfs/dbraw/zinc/12/34/76/1168123476.db2.gz	XQSVQUVCHCXIHV-CQSZACIVSA-N	-1	0	324.358	0.732	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])ncc1C#N	ZINC001600243774	1168145400	/nfs/dbraw/zinc/14/54/00/1168145400.db2.gz	NFKGHPWXPPXTPG-LLVKDONJSA-N	-1	0	316.317	0.666	20	30		DCEDRM
Cc1cc(OS(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1C#N	ZINC001600292293	1168157031	/nfs/dbraw/zinc/15/70/31/1168157031.db2.gz	WERBPPAIFABVFP-UHFFFAOYSA-N	-1	0	321.314	0.916	20	30		DCEDRM
Cc1nc(N(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])ccc1C#N	ZINC001600709079	1168259481	/nfs/dbraw/zinc/25/94/81/1168259481.db2.gz	WOVPRVYODQVMIJ-VXGBXAGGSA-N	-1	0	302.334	0.535	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])ccc1C#N	ZINC001600710832	1168260084	/nfs/dbraw/zinc/26/00/84/1168260084.db2.gz	SHDWYWXSJNIZRA-LLVKDONJSA-N	-1	0	316.317	0.666	20	30		DCEDRM
Cn1c([C@H]2C[C@@H]2C#N)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001600910782	1168504051	/nfs/dbraw/zinc/50/40/51/1168504051.db2.gz	OKSSJFKKYWQZOT-NOOOWODRSA-N	-1	0	301.350	0.989	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N[C@]2(CC(=O)[O-])CCCOC2)n1	ZINC001600927451	1168510639	/nfs/dbraw/zinc/51/06/39/1168510639.db2.gz	LCZHKDJPIMKFSW-ZDUSSCGKSA-N	-1	0	307.310	0.437	20	30		DCEDRM
Cn1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1C(=O)[O-]	ZINC001600959796	1168533375	/nfs/dbraw/zinc/53/33/75/1168533375.db2.gz	FZEDFPFBUWSCML-DTWKUNHWSA-N	-1	0	304.306	0.470	20	30		DCEDRM
Cn1cnc(CNS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])c1	ZINC001600989302	1168547311	/nfs/dbraw/zinc/54/73/11/1168547311.db2.gz	FPVNYSQSKQAZLG-UHFFFAOYSA-N	-1	0	320.330	0.468	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C(=O)N2OC3CCC2CC3)CC1	ZINC001601049181	1168577528	/nfs/dbraw/zinc/57/75/28/1168577528.db2.gz	NYXZYDBHTVZQSK-UHFFFAOYSA-N	-1	0	321.333	0.288	20	30		DCEDRM
N#CC1(CCCN2[C@H](C(=O)[O-])CCS2(=O)=O)CCOCC1	ZINC001601053971	1168578403	/nfs/dbraw/zinc/57/84/03/1168578403.db2.gz	CZDIHYOMLKNLNW-NSHDSACASA-N	-1	0	316.379	0.576	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(Cc2coc(S(N)(=O)=O)c2)CC1	ZINC001601052619	1168578498	/nfs/dbraw/zinc/57/84/98/1168578498.db2.gz	ULZFFECFUOKOCB-UHFFFAOYSA-N	-1	0	313.335	0.117	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCSC[C@H]2CC(=O)[O-])CCC1	ZINC001601058414	1168578981	/nfs/dbraw/zinc/57/89/81/1168578981.db2.gz	SIHQXNAZBLANER-SNVBAGLBSA-N	-1	0	318.420	0.902	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)CC1	ZINC001601061209	1168579285	/nfs/dbraw/zinc/57/92/85/1168579285.db2.gz	RPJSGIWUGYQRLM-OWOJBTEDSA-N	-1	0	317.301	0.575	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12	ZINC001601069460	1168580615	/nfs/dbraw/zinc/58/06/15/1168580615.db2.gz	DFSAXLKZPGSYCK-TUAOUCFPSA-N	-1	0	307.350	0.508	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CNC(=O)OCc1ccccc1	ZINC001601069765	1168581334	/nfs/dbraw/zinc/58/13/34/1168581334.db2.gz	GKGHRELBRNSWJH-UHFFFAOYSA-N	-1	0	319.317	0.740	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC001601072796	1168581520	/nfs/dbraw/zinc/58/15/20/1168581520.db2.gz	YILIMMVUEUCMMB-UHFFFAOYSA-N	-1	0	313.722	0.811	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)Cc1noc2ccccc21	ZINC001601072969	1168581553	/nfs/dbraw/zinc/58/15/53/1168581553.db2.gz	VFHBIQGYIIPQGW-UHFFFAOYSA-N	-1	0	323.330	0.958	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)CCc1ccc(F)cc1	ZINC001601073069	1168581647	/nfs/dbraw/zinc/58/16/47/1168581647.db2.gz	ZNYGFKRRZRFJHN-UHFFFAOYSA-N	-1	0	314.338	0.998	20	30		DCEDRM
N#CCN(CCC(=O)[O-])CC(=O)N1CCc2ccccc2C1	ZINC001601072569	1168581781	/nfs/dbraw/zinc/58/17/81/1168581781.db2.gz	XVKKMKCVBGXJDX-UHFFFAOYSA-N	-1	0	301.346	0.872	20	30		DCEDRM
N#CCSCCCN1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC001601075033	1168582176	/nfs/dbraw/zinc/58/21/76/1168582176.db2.gz	BTALCQMNSBLXFL-SNVBAGLBSA-N	-1	0	306.409	0.207	20	30		DCEDRM
N#CCNC(=O)CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC001601074545	1168582345	/nfs/dbraw/zinc/58/23/45/1168582345.db2.gz	DYOHPFXIJKMWGJ-UHFFFAOYSA-N	-1	0	310.697	0.799	20	30		DCEDRM
N#CCc1ccccc1CC(=O)NC[C@@]1(C(=O)[O-])CCOC1	ZINC001601077924	1168582771	/nfs/dbraw/zinc/58/27/71/1168582771.db2.gz	FLZJTMNHXYZBMK-INIZCTEOSA-N	-1	0	302.330	0.903	20	30		DCEDRM
N#Cc1c(NC(=O)Cn2ccc(C(=O)[O-])n2)n[nH]c1C1CC1	ZINC001601080591	1168583096	/nfs/dbraw/zinc/58/30/96/1168583096.db2.gz	BOYIBXVWIPRSDF-UHFFFAOYSA-N	-1	0	300.278	0.692	20	30		DCEDRM
N#Cc1cc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)co1	ZINC001601085216	1168583492	/nfs/dbraw/zinc/58/34/92/1168583492.db2.gz	WEILTYGYOPFQDD-VIFPVBQESA-N	-1	0	301.262	0.528	20	30		DCEDRM
N#Cc1cc(C#N)c(SC[C@@H]2CC(C(=O)[O-])=NO2)nc1N	ZINC001601085065	1168583502	/nfs/dbraw/zinc/58/35/02/1168583502.db2.gz	SUMGQXSFLBRWSU-QMMMGPOBSA-N	-1	0	303.303	0.729	20	30		DCEDRM
N#Cc1cc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])nc(C2CC2)n1	ZINC001601090299	1168583901	/nfs/dbraw/zinc/58/39/01/1168583901.db2.gz	SXBZOOKASZAJEN-LLVKDONJSA-N	-1	0	315.333	0.395	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)nc1	ZINC001601091902	1168584248	/nfs/dbraw/zinc/58/42/48/1168584248.db2.gz	DMCKZWMHGPVHSW-UHFFFAOYSA-N	-1	0	314.301	0.789	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)s1	ZINC001601100032	1168584412	/nfs/dbraw/zinc/58/44/12/1168584412.db2.gz	HFCXTAUUVCPWCS-RKDXNWHRSA-N	-1	0	309.347	0.597	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cn1	ZINC001601098305	1168584423	/nfs/dbraw/zinc/58/44/23/1168584423.db2.gz	LSNFKFVIXHQZAX-OAHLLOKOSA-N	-1	0	314.301	0.328	20	30		DCEDRM
N#Cc1ccc(N2CCC(NC(=O)C3(C(=O)[O-])CC3)CC2)nc1	ZINC001601105331	1168585562	/nfs/dbraw/zinc/58/55/62/1168585562.db2.gz	WYKJRSYCHVCHRC-UHFFFAOYSA-N	-1	0	314.345	0.903	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@H](Cn2ccnc2)C(=O)[O-])cc1	ZINC001601108122	1168586016	/nfs/dbraw/zinc/58/60/16/1168586016.db2.gz	BVTCATYJMDKELF-CYBMUJFWSA-N	-1	0	313.317	0.436	20	30		DCEDRM
N#Cc1ccnc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1	ZINC001601127245	1168589940	/nfs/dbraw/zinc/58/99/40/1168589940.db2.gz	HGRWVANHLGIBSW-UHFFFAOYSA-N	-1	0	301.262	0.029	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NC[C@@]1(OCCO)CCOC1	ZINC001601133328	1168592537	/nfs/dbraw/zinc/59/25/37/1168592537.db2.gz	PRLZWYZZRZRPNS-AWEZNQCLSA-N	-1	0	307.306	0.231	20	30		DCEDRM
N#Cc1nc(N2C[C@H](O)C[C@H]2C(=O)[O-])ccc1C(F)(F)F	ZINC001601134394	1168592874	/nfs/dbraw/zinc/59/28/74/1168592874.db2.gz	POLWPPLFJUVWAZ-MUWHJKNJSA-N	-1	0	301.224	0.996	20	30		DCEDRM
N#Cc1nccc(N2CCCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1	ZINC001601134656	1168592989	/nfs/dbraw/zinc/59/29/89/1168592989.db2.gz	WFTGFUFZXPBZGM-WDEREUQCSA-N	-1	0	315.333	0.108	20	30		DCEDRM
O=C(C#CC1CC1)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001601223705	1168666488	/nfs/dbraw/zinc/66/64/88/1168666488.db2.gz	JZYFRFJWHNESMY-RYUDHWBXSA-N	-1	0	304.346	0.276	20	30		DCEDRM
O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1cccc(C#CCO)c1	ZINC001601408522	1168734417	/nfs/dbraw/zinc/73/44/17/1168734417.db2.gz	IBOJWEBHOZKILD-HUUCEWRRSA-N	-1	0	317.341	0.783	20	30		DCEDRM
O=C([O-])c1ccc(Cl)cc1S(=O)(=O)O[C@H]1CNOC1	ZINC001602362717	1169064883	/nfs/dbraw/zinc/06/48/83/1169064883.db2.gz	FJPMPRRGEMKUMB-ZETCQYMHSA-N	-1	0	307.711	0.647	20	30		DCEDRM
O=C([O-])c1cn([C@@H]2CCN(C(=O)C#Cc3ccccc3)C2)nn1	ZINC001602494440	1169093210	/nfs/dbraw/zinc/09/32/10/1169093210.db2.gz	VEUVODKFGRLLGA-CYBMUJFWSA-N	-1	0	310.313	0.801	20	30		DCEDRM
O=C([O-])[C@@]1(C(=O)N[C@@H]2CCN(O)C2=O)C[C@H]1c1ccccc1	ZINC001602630694	1169135894	/nfs/dbraw/zinc/13/58/94/1169135894.db2.gz	ALVKONJPKJTRML-RWSFTLGLSA-N	-1	0	304.302	0.351	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)[C@@H]1CCCO1	ZINC001602673790	1169155368	/nfs/dbraw/zinc/15/53/68/1169155368.db2.gz	JQOAURPGDMHLPB-RYUDHWBXSA-N	-1	0	305.334	0.567	20	30		DCEDRM
C#C[C@@H](NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)[C@@H]1CCCO1	ZINC001602673761	1169155938	/nfs/dbraw/zinc/15/59/38/1169155938.db2.gz	JORZVWCPVXHIJO-RSUWNVLCSA-N	-1	0	322.361	0.300	20	30		DCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC001602669976	1169155983	/nfs/dbraw/zinc/15/59/83/1169155983.db2.gz	JTPUQYZQSNXGJZ-MRVPVSSYSA-N	-1	0	318.285	0.248	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)[C@@H]1CCCO1	ZINC001602679593	1169156774	/nfs/dbraw/zinc/15/67/74/1169156774.db2.gz	YZZFPICELIPWFE-BDAKNGLRSA-N	-1	0	315.372	0.905	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001602681540	1169156949	/nfs/dbraw/zinc/15/69/49/1169156949.db2.gz	NLXGALXHIDWSDA-CYBMUJFWSA-N	-1	0	316.313	0.492	20	30		DCEDRM
C#C[C@H](NC(=O)Nc1nc2n(c1C(=O)[O-])CCC2)[C@@H]1CCCO1	ZINC001602674875	1169157328	/nfs/dbraw/zinc/15/73/28/1169157328.db2.gz	XBJUGPRJGYKVBY-UWVGGRQHSA-N	-1	0	318.333	0.830	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001602683849	1169158080	/nfs/dbraw/zinc/15/80/80/1169158080.db2.gz	VZYQDHSJAWBPFA-GFCCVEGCSA-N	-1	0	307.350	0.815	20	30		DCEDRM
C#CC[C@H](NC(=O)CCNC(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC001602687948	1169159773	/nfs/dbraw/zinc/15/97/73/1169159773.db2.gz	ZCZQODNYXYIZDW-LBPRGKRZSA-N	-1	0	306.293	0.538	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cccc(N2CCOC2=O)c1)C(=O)[O-]	ZINC001602693570	1169162055	/nfs/dbraw/zinc/16/20/55/1169162055.db2.gz	YDEUFDDKJHALTA-LBPRGKRZSA-N	-1	0	302.286	0.850	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(OC)cc(OC)c1)C(=O)[O-]	ZINC001602698672	1169163718	/nfs/dbraw/zinc/16/37/18/1169163718.db2.gz	QFFJUFUBMBYXGS-GFCCVEGCSA-N	-1	0	313.331	0.459	20	30		DCEDRM
C#CC1CCN(Cn2cc3c(c(-c4nnn[n-]4)c2=O)CCC3)CC1	ZINC001602697140	1169163779	/nfs/dbraw/zinc/16/37/79/1169163779.db2.gz	SGUJPVMGMZFYJL-UHFFFAOYSA-N	-1	0	324.388	0.820	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)[O-]	ZINC001602698512	1169164122	/nfs/dbraw/zinc/16/41/22/1169164122.db2.gz	JMUDVROGMPMXJH-CYBMUJFWSA-N	-1	0	306.343	0.649	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1OC)C(=O)[O-]	ZINC001602698350	1169164463	/nfs/dbraw/zinc/16/44/63/1169164463.db2.gz	CTVYMRULOUZMBD-SECBINFHSA-N	-1	0	319.285	0.728	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001602708377	1169166146	/nfs/dbraw/zinc/16/61/46/1169166146.db2.gz	OXJBCZMBUPBFHJ-UHFFFAOYSA-N	-1	0	312.347	0.440	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F	ZINC001602715453	1169168383	/nfs/dbraw/zinc/16/83/83/1169168383.db2.gz	IEEDVJIGLVROPY-UHFFFAOYSA-N	-1	0	320.251	0.697	20	30		DCEDRM
C#CCN1CCC[C@@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)C1	ZINC001602719972	1169170551	/nfs/dbraw/zinc/17/05/51/1169170551.db2.gz	FRSVDXZPWNAQPO-CYBMUJFWSA-N	-1	0	322.386	0.761	20	30		DCEDRM
C#CCN(CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C1CC1	ZINC001602719767	1169170654	/nfs/dbraw/zinc/17/06/54/1169170654.db2.gz	HHKKGDFEQANLEG-UHFFFAOYSA-N	-1	0	310.361	0.581	20	30		DCEDRM
C#CCOCCNC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001602728232	1169174609	/nfs/dbraw/zinc/17/46/09/1169174609.db2.gz	OQTHDZIMYVEPHH-MRXNPFEDSA-N	-1	0	324.377	0.428	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1cn(-c2cccnc2)nn1)C(=O)[O-]	ZINC001602754363	1169180017	/nfs/dbraw/zinc/18/00/17/1169180017.db2.gz	HDOZJNZPBDGONW-LLVKDONJSA-N	-1	0	301.306	0.812	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001602764847	1169180609	/nfs/dbraw/zinc/18/06/09/1169180609.db2.gz	UFMHPBLWLJPEEK-UWVGGRQHSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(CC(=O)NCCO)cc1	ZINC001602786165	1169182602	/nfs/dbraw/zinc/18/26/02/1169182602.db2.gz	XTTXKNYMZUCAMW-UHFFFAOYSA-N	-1	0	320.345	0.697	20	30		DCEDRM
C=C[C@](C)(O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C	ZINC001602810276	1169185726	/nfs/dbraw/zinc/18/57/26/1169185726.db2.gz	WVSSCNCZACBLED-XPTSAGLGSA-N	-1	0	301.339	0.615	20	30		DCEDRM
C=CCC(C)(C)Cn1nnnc1N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001602836340	1169190584	/nfs/dbraw/zinc/19/05/84/1169190584.db2.gz	NKJFWPRYGXYICY-LBPRGKRZSA-N	-1	0	323.397	0.937	20	30		DCEDRM
C=CC[C@@H](OC(=O)c1ccn(CCn2cccn2)n1)C(=O)[O-]	ZINC001602849780	1169192553	/nfs/dbraw/zinc/19/25/53/1169192553.db2.gz	QKHZEJSAMSEKPC-GFCCVEGCSA-N	-1	0	304.306	0.966	20	30		DCEDRM
C=CCN([C@H](C)COC)S(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001602887342	1169198136	/nfs/dbraw/zinc/19/81/36/1169198136.db2.gz	QUQDVTGJALCDQT-SNVBAGLBSA-N	-1	0	316.379	0.935	20	30		DCEDRM
C=CCN1C(=O)C(=O)N(CCc2ccccc2C(=O)[O-])C1=O	ZINC001602897673	1169199504	/nfs/dbraw/zinc/19/95/04/1169199504.db2.gz	BZKCFOIABDISCY-UHFFFAOYSA-N	-1	0	302.286	0.904	20	30		DCEDRM
C=CCO[C@H]1CCN(Cn2nc(C(=O)OC)cc2C(=O)[O-])C1	ZINC001602906718	1169201369	/nfs/dbraw/zinc/20/13/69/1169201369.db2.gz	LERGSTCEUPHHDL-JTQLQIEISA-N	-1	0	309.322	0.602	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c(C)nc(C(C)C)[nH]c1=O)C(=O)[O-]	ZINC001602908827	1169201575	/nfs/dbraw/zinc/20/15/75/1169201575.db2.gz	GLWSDFICXREMQA-JTQLQIEISA-N	-1	0	323.349	1.000	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(C(=O)[O-])oc1C	ZINC001602902086	1169202203	/nfs/dbraw/zinc/20/22/03/1169202203.db2.gz	NYUYNBDQVDQDNX-MRVPVSSYSA-N	-1	0	324.289	0.843	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCc1c(C)nc[nH]c1=O)C(=O)[O-]	ZINC001602910126	1169202611	/nfs/dbraw/zinc/20/26/11/1169202611.db2.gz	OKKXQFKXZIVRCG-NSHDSACASA-N	-1	0	309.322	0.195	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)C(=O)[O-]	ZINC001602910213	1169202941	/nfs/dbraw/zinc/20/29/41/1169202941.db2.gz	QROCVJGHDOZDIB-JLLWLGSASA-N	-1	0	307.350	0.848	20	30		DCEDRM
C=CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602930912	1169211451	/nfs/dbraw/zinc/21/14/51/1169211451.db2.gz	HYOSCPCOBUWSAQ-LLVKDONJSA-N	-1	0	318.337	0.154	20	30		DCEDRM
CC#CCCCC(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001602947173	1169217781	/nfs/dbraw/zinc/21/77/81/1169217781.db2.gz	POAZMPCAYUWHDE-NSHDSACASA-N	-1	0	304.350	0.707	20	30		DCEDRM
CC(=O)Nc1cccnc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001603083750	1169245120	/nfs/dbraw/zinc/24/51/20/1169245120.db2.gz	JMSQRSJQKZVDQT-UHFFFAOYSA-N	-1	0	316.317	0.871	20	30		DCEDRM
C[C@@H](C(=O)N1CCc2cc(C(=O)[O-])ccc21)n1cnc(C#N)n1	ZINC001603148353	1169255312	/nfs/dbraw/zinc/25/53/12/1169255312.db2.gz	NYPMYGMLYMRSLY-VIFPVBQESA-N	-1	0	311.301	0.998	20	30		DCEDRM
C[C@H](C(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1)n1cnc(C#N)n1	ZINC001603153656	1169256918	/nfs/dbraw/zinc/25/69/18/1169256918.db2.gz	ODNNPMPQQJMJPL-PRHODGIISA-N	-1	0	315.289	0.358	20	30		DCEDRM
CC(C)(C(=O)[O-])n1cc(NC(=O)C2(C#N)CCOCC2)cn1	ZINC001603282229	1169287673	/nfs/dbraw/zinc/28/76/73/1169287673.db2.gz	KXQNFSGTENOKJX-UHFFFAOYSA-N	-1	0	306.322	0.962	20	30		DCEDRM
CC(C)(C)CC(=O)NCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001603321506	1169293521	/nfs/dbraw/zinc/29/35/21/1169293521.db2.gz	WWIVNFQTLLQGEG-UHFFFAOYSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CC(C)(C)CCNC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001603333014	1169295238	/nfs/dbraw/zinc/29/52/38/1169295238.db2.gz	BVNCPTTXWWFJJW-UHFFFAOYSA-N	-1	0	305.334	0.971	20	30		DCEDRM
CC(C)C#CC(=O)N1CC[C@@H](N(C)c2ccnc(C(=O)[O-])n2)C1	ZINC001603699761	1169365639	/nfs/dbraw/zinc/36/56/39/1169365639.db2.gz	CBPBKBPUGMEISH-GFCCVEGCSA-N	-1	0	316.361	0.871	20	30		DCEDRM
CC(C)OC(=O)CCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001603907610	1169429641	/nfs/dbraw/zinc/42/96/41/1169429641.db2.gz	JXJXWFYRKUVJGI-UHFFFAOYSA-N	-1	0	311.338	0.728	20	30		DCEDRM
CC[C@H](C#N)N(CC)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001603977607	1169461906	/nfs/dbraw/zinc/46/19/06/1169461906.db2.gz	DBLSONZBCIYIRD-RKDXNWHRSA-N	-1	0	303.330	0.170	20	30		DCEDRM
C[C@@H](OC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)C(=O)[O-]	ZINC001604416756	1169587765	/nfs/dbraw/zinc/58/77/65/1169587765.db2.gz	VKRMFGZKFAVLOW-SECBINFHSA-N	-1	0	313.269	0.943	20	30		DCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CCO1	ZINC001604484850	1169601519	/nfs/dbraw/zinc/60/15/19/1169601519.db2.gz	UDBSZCRLAYHADO-LLVKDONJSA-N	-1	0	316.360	0.749	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC001604626415	1169635697	/nfs/dbraw/zinc/63/56/97/1169635697.db2.gz	MCVHVVLNGOVDPE-QPUJVOFHSA-N	-1	0	319.292	0.957	20	30		DCEDRM
C[C@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C[C@H](C)N1CC#N	ZINC001604774994	1169678240	/nfs/dbraw/zinc/67/82/40/1169678240.db2.gz	DJBOPJRTMXJOLO-WUHRBBMRSA-N	-1	0	324.381	0.104	20	30		DCEDRM
CC[C@@H](CNC(=O)C(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC001605023217	1169782173	/nfs/dbraw/zinc/78/21/73/1169782173.db2.gz	IIWSOUIDBBROQR-JTQLQIEISA-N	-1	0	319.317	0.754	20	30		DCEDRM
CC[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)C(=O)[O-]	ZINC001605098231	1169821773	/nfs/dbraw/zinc/82/17/73/1169821773.db2.gz	CIQWDSYGGBVPDW-NSHDSACASA-N	-1	0	300.311	0.980	20	30		DCEDRM
COc1ccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)cc1F	ZINC001605288846	1169886970	/nfs/dbraw/zinc/88/69/70/1169886970.db2.gz	JODAGZZOFCAGQV-UHFFFAOYSA-N	-1	0	314.284	0.713	20	30		DCEDRM
COc1ccc(CNc2ccnc(-c3nnn[n-]3)n2)cc1C#N	ZINC001605285824	1169887181	/nfs/dbraw/zinc/88/71/81/1169887181.db2.gz	QVBPSKXNFJOYTB-UHFFFAOYSA-N	-1	0	308.305	0.571	20	30		DCEDRM
CN(C(=O)c1ccc(C#N)n1C)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001605982188	1170041529	/nfs/dbraw/zinc/04/15/29/1170041529.db2.gz	WEIDOQXDQAMOKM-ZDUSSCGKSA-N	-1	0	305.334	0.991	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CCCN1CCOC1=O	ZINC001606017944	1170051565	/nfs/dbraw/zinc/05/15/65/1170051565.db2.gz	OVLRNFSJQPAMOV-UHFFFAOYSA-N	-1	0	302.298	0.086	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(O)c(O)c2O)o1	ZINC001606020089	1170052700	/nfs/dbraw/zinc/05/27/00/1170052700.db2.gz	RUSHEFBFCLJLAK-UHFFFAOYSA-N	-1	0	317.265	0.726	20	30		DCEDRM
Cn1c2cc(Cn3cnc(-c4nnn[n-]4)c3C#N)ccc2oc1=O	ZINC001606208329	1170114232	/nfs/dbraw/zinc/11/42/32/1170114232.db2.gz	UBMBFEGPLBQDFZ-UHFFFAOYSA-N	-1	0	322.288	0.428	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC001606344602	1170163761	/nfs/dbraw/zinc/16/37/61/1170163761.db2.gz	OIJUXWPAGPKVJL-AWEZNQCLSA-N	-1	0	300.297	0.873	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cccn3nccc23)[n-]c1-c1nn[nH]n1	ZINC001606355615	1170168439	/nfs/dbraw/zinc/16/84/39/1170168439.db2.gz	IJAMEAUOXPYCKJ-UHFFFAOYSA-N	-1	0	320.276	0.361	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)C[C@@H]1C(=O)[O-]	ZINC001606418193	1170192793	/nfs/dbraw/zinc/19/27/93/1170192793.db2.gz	LSVKFMGJUMGJBQ-QWHCGFSZSA-N	-1	0	316.313	0.433	20	30		DCEDRM
COC1(OC)CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H]1O	ZINC001606723467	1170272911	/nfs/dbraw/zinc/27/29/11/1170272911.db2.gz	QEDXBFBEQUAIFW-ZIAGYGMSSA-N	-1	0	320.345	0.740	20	30		DCEDRM
COc1cc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)ccc1C#N	ZINC001607068196	1170378576	/nfs/dbraw/zinc/37/85/76/1170378576.db2.gz	KTFARNZSSXNCCG-NWDGAFQWSA-N	-1	0	304.302	0.474	20	30		DCEDRM
COc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)C#N	ZINC001607168791	1170411975	/nfs/dbraw/zinc/41/19/75/1170411975.db2.gz	HKUYIPSBFSCYLS-SSDOTTSWSA-N	-1	0	316.310	0.970	20	30		DCEDRM
COc1cc(NC(=O)C(=O)NCCCC(=O)[O-])c(F)cc1C#N	ZINC001607174161	1170412809	/nfs/dbraw/zinc/41/28/09/1170412809.db2.gz	YWOLTXNOTNOMTF-UHFFFAOYSA-N	-1	0	323.280	0.625	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001607485798	1170465771	/nfs/dbraw/zinc/46/57/71/1170465771.db2.gz	XTXZNDBBQPPCIO-UHFFFAOYSA-N	-1	0	300.278	0.182	20	30		DCEDRM
Cc1c(C(=O)N(CC#N)CC(=O)[O-])nnn1CC1CCCC1	ZINC001607503702	1170469647	/nfs/dbraw/zinc/46/96/47/1170469647.db2.gz	NZOBDHNAVSCNHR-UHFFFAOYSA-N	-1	0	305.338	0.827	20	30		DCEDRM
Cc1cc(C(=O)N(CC#N)CCC(=O)[O-])ccc1-n1cnnn1	ZINC001607569960	1170477518	/nfs/dbraw/zinc/47/75/18/1170477518.db2.gz	JLLWXEQQFWGQEM-UHFFFAOYSA-N	-1	0	314.305	0.411	20	30		DCEDRM
Cc1cc(C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])ncc1C#N	ZINC001607574786	1170479265	/nfs/dbraw/zinc/47/92/65/1170479265.db2.gz	DRZXUQWOYQEGBT-HNNXBMFYSA-N	-1	0	313.317	0.732	20	30		DCEDRM
Cc1cc(N2CC[C@H](N(CC#N)CCC(=O)[O-])C2=O)n(C)n1	ZINC001607685409	1170495966	/nfs/dbraw/zinc/49/59/66/1170495966.db2.gz	XJMFLOGPBOSZIY-NSHDSACASA-N	-1	0	305.338	0.134	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001607724410	1170500050	/nfs/dbraw/zinc/50/00/50/1170500050.db2.gz	MYAVKAQGZUIYPK-ZYHUDNBSSA-N	-1	0	315.329	0.984	20	30		DCEDRM
Cc1nc2ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc2o1	ZINC001607973654	1170536630	/nfs/dbraw/zinc/53/66/30/1170536630.db2.gz	UFCSQLBNAGFYJL-UHFFFAOYSA-N	-1	0	309.303	0.735	20	30		DCEDRM
N#CC1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CCC1	ZINC001608172414	1170609253	/nfs/dbraw/zinc/60/92/53/1170609253.db2.gz	UXOLVQRZJJCMIK-HNNXBMFYSA-N	-1	0	307.350	0.068	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@]2(CC(=O)[O-])CCCOC2)CC1	ZINC001608175462	1170609329	/nfs/dbraw/zinc/60/93/29/1170609329.db2.gz	GXOSXQBCZSAMIX-LBPRGKRZSA-N	-1	0	302.352	0.233	20	30		DCEDRM
N#CCOc1cccc(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)c1	ZINC001608187408	1170612567	/nfs/dbraw/zinc/61/25/67/1170612567.db2.gz	XOWRFHOKXCXBTE-BJHJDKERSA-N	-1	0	324.358	0.872	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccccc1Cn1cncn1	ZINC001608186048	1170612662	/nfs/dbraw/zinc/61/26/62/1170612662.db2.gz	BWMJYKMEKGAIQC-UHFFFAOYSA-N	-1	0	313.317	0.767	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC001608185610	1170612968	/nfs/dbraw/zinc/61/29/68/1170612968.db2.gz	ZGHCPTXYEPOAAC-UHFFFAOYSA-N	-1	0	321.245	0.764	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1	ZINC001608190115	1170613125	/nfs/dbraw/zinc/61/31/25/1170613125.db2.gz	IJXAVFISTNNIBP-UUIJZJDISA-N	-1	0	307.350	0.811	20	30		DCEDRM
N#Cc1c[nH]c2cc(C(=O)N[C@H](Cn3cncn3)C(=O)[O-])ccc12	ZINC001608195681	1170613567	/nfs/dbraw/zinc/61/35/67/1170613567.db2.gz	VQISYSSXFRHQMK-CYBMUJFWSA-N	-1	0	324.300	0.514	20	30		DCEDRM
N#Cc1cc(NCCn2cc(C(=O)[O-])nn2)c2ccccc2n1	ZINC001608197642	1170614024	/nfs/dbraw/zinc/61/40/24/1170614024.db2.gz	LBDDRLQBQYIWQN-UHFFFAOYSA-N	-1	0	308.301	0.930	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)co1	ZINC001608193985	1170614189	/nfs/dbraw/zinc/61/41/89/1170614189.db2.gz	NQXHFJONNHOFGJ-JTQLQIEISA-N	-1	0	315.289	0.918	20	30		DCEDRM
N#Cc1ccc(O[C@@H]2CCN(Cn3cc(C(=O)[O-])nn3)C2)nc1	ZINC001608209600	1170615938	/nfs/dbraw/zinc/61/59/38/1170615938.db2.gz	UMJLLZYCORLIBZ-LLVKDONJSA-N	-1	0	314.305	0.354	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N[C@@H](CC(=O)[O-])C2CC2)n1	ZINC001608217065	1170617268	/nfs/dbraw/zinc/61/72/68/1170617268.db2.gz	KKOATLULYXKPPI-JTQLQIEISA-N	-1	0	302.290	0.261	20	30		DCEDRM
N#Cc1cccnc1N1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001608221913	1170618700	/nfs/dbraw/zinc/61/87/00/1170618700.db2.gz	ZINWNSNZSHESRY-STQMWFEESA-N	-1	0	314.345	0.713	20	30		DCEDRM
N#Cc1ccccc1OC[C@H](O)CN1CCO[C@H](C(=O)[O-])C1	ZINC001608219097	1170618742	/nfs/dbraw/zinc/61/87/42/1170618742.db2.gz	JMANNEYXRUZQRI-OCCSQVGLSA-N	-1	0	306.318	0.083	20	30		DCEDRM
O=C([O-])c1cc(C(=O)NCc2ccc(C(=O)NO)cc2)c[nH]1	ZINC001608484723	1170687720	/nfs/dbraw/zinc/68/77/20/1170687720.db2.gz	PJZXXOJQTCPQHF-UHFFFAOYSA-N	-1	0	303.274	0.762	20	30		DCEDRM
O=C([O-])Cc1csc(NC(=O)N[C@@H]2CCCN(O)C2=O)n1	ZINC001608792733	1170754740	/nfs/dbraw/zinc/75/47/40/1170754740.db2.gz	UJSZGRIBHQGGCV-SSDOTTSWSA-N	-1	0	314.323	0.272	20	30		DCEDRM
O=C([O-])c1cc(C=NNC(=S)NCc2cccnc2)on1	ZINC001608841310	1170764648	/nfs/dbraw/zinc/76/46/48/1170764648.db2.gz	KVPYOUWIEGXCPD-UHFFFAOYSA-N	-1	0	305.319	0.766	20	30		DCEDRM
C#C[C@H](C)NC(=O)COc1ccc(-c2nn[nH]n2)cc1OC	ZINC001609018776	1170785462	/nfs/dbraw/zinc/78/54/62/1170785462.db2.gz	GBXLTBRDHMQEKH-VIFPVBQESA-N	-1	0	301.306	0.392	20	30		DCEDRM
C#CCN(C1CC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001609020758	1170785968	/nfs/dbraw/zinc/78/59/68/1170785968.db2.gz	GYEIHDZRUROANW-UHFFFAOYSA-N	-1	0	304.335	0.048	20	30		DCEDRM
C#C[C@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001609054338	1170793599	/nfs/dbraw/zinc/79/35/99/1170793599.db2.gz	HMHNGPKAWCNJPQ-MRVPVSSYSA-N	-1	0	312.303	0.983	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC001609058249	1170794337	/nfs/dbraw/zinc/79/43/37/1170794337.db2.gz	UJWNQXJYQRKCHH-QMMMGPOBSA-N	-1	0	308.315	0.245	20	30		DCEDRM
C#C[C@H]([C@@H]1CCCO1)N1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O	ZINC001609054764	1170795039	/nfs/dbraw/zinc/79/50/39/1170795039.db2.gz	QQGRWDYYJAIWPO-USZNOCQGSA-N	-1	0	306.318	0.295	20	30		DCEDRM
CC(=O)Nc1cccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)c1	ZINC001609064511	1170797805	/nfs/dbraw/zinc/79/78/05/1170797805.db2.gz	AGQVMUVTPBLFHC-UHFFFAOYSA-N	-1	0	323.320	0.524	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cnc2c(cnn2C)c1OC)C(=O)[O-]	ZINC001609089370	1170803248	/nfs/dbraw/zinc/80/32/48/1170803248.db2.gz	LSBPPLMVYUWWNC-JTQLQIEISA-N	-1	0	302.290	0.183	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C	ZINC001609153038	1170828579	/nfs/dbraw/zinc/82/85/79/1170828579.db2.gz	WDPAUSLOEOBCHQ-UHFFFAOYSA-N	-1	0	310.306	0.980	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC001609264598	1170904265	/nfs/dbraw/zinc/90/42/65/1170904265.db2.gz	VHZODYFINBBNFW-ZDUSSCGKSA-N	-1	0	319.317	0.992	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001609345892	1170946851	/nfs/dbraw/zinc/94/68/51/1170946851.db2.gz	MEMOLZLMJBNATL-UHFFFAOYSA-N	-1	0	319.317	0.084	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C[C@H]1CCOC[C@@H]1OC)C(=O)[O-]	ZINC001609432278	1170973540	/nfs/dbraw/zinc/97/35/40/1170973540.db2.gz	LJFANDMHGPKMQK-WOPDTQHZSA-N	-1	0	301.339	0.200	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C(=O)Nc1ccc(OC)cc1)C(=O)[O-]	ZINC001609432520	1170976738	/nfs/dbraw/zinc/97/67/38/1170976738.db2.gz	XVTQYGKEKRHUHT-GFCCVEGCSA-N	-1	0	322.317	0.406	20	30		DCEDRM
C=CCOc1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1OC	ZINC001609460413	1170986147	/nfs/dbraw/zinc/98/61/47/1170986147.db2.gz	VASZDMWNIUIHEM-UHFFFAOYSA-N	-1	0	322.317	0.191	20	30		DCEDRM
Cn1c(Cn2cnc(-c3nnn[n-]3)c2C#N)nc2ccccc21	ZINC001609476553	1170992673	/nfs/dbraw/zinc/99/26/73/1170992673.db2.gz	KAVWOYZHVVQKRN-UHFFFAOYSA-N	-1	0	305.305	0.870	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1cccc2c1OCCO2	ZINC001609496872	1170999953	/nfs/dbraw/zinc/99/99/53/1170999953.db2.gz	LIIAKSHEUXIEPY-UHFFFAOYSA-N	-1	0	309.289	0.754	20	30		DCEDRM
C[C@H](O)C(=O)N1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1	ZINC001609790105	1171085963	/nfs/dbraw/zinc/08/59/63/1171085963.db2.gz	XDINLMHDTQVYBO-NSHDSACASA-N	-1	0	317.345	0.281	20	30		DCEDRM
COCCC1N=NC(=S)N1N=Cc1cc(C(=O)[O-])c(C)n1C	ZINC001610266710	1171213703	/nfs/dbraw/zinc/21/37/03/1171213703.db2.gz	IZWVRQZFFYVZSC-UHFFFAOYSA-N	-1	0	323.378	0.983	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC001610432661	1171235410	/nfs/dbraw/zinc/23/54/10/1171235410.db2.gz	LSEZPHATYOLZIW-CQSZACIVSA-N	-1	0	324.358	0.779	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1C#N	ZINC001610524278	1171246856	/nfs/dbraw/zinc/24/68/56/1171246856.db2.gz	DEPGMHZBEXCRQI-WDEREUQCSA-N	-1	0	324.358	0.323	20	30		DCEDRM
N#CC1(CC(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)CC1	ZINC001610619313	1171270830	/nfs/dbraw/zinc/27/08/30/1171270830.db2.gz	ITTRAYOXMPWPCV-UHFFFAOYSA-N	-1	0	314.363	0.219	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@]2(CC(=O)[O-])CCOC2)cc1	ZINC001610628846	1171272420	/nfs/dbraw/zinc/27/24/20/1171272420.db2.gz	HEDSGAREZCMCBH-HNNXBMFYSA-N	-1	0	303.318	0.720	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCSC[C@@H](C(=O)[O-])C2)cc1	ZINC001610627213	1171272864	/nfs/dbraw/zinc/27/28/64/1171272864.db2.gz	BUHGRXAKYBAVAW-STQMWFEESA-N	-1	0	320.370	0.868	20	30		DCEDRM
N#C[C@H](CO)NC(=O)c1cc(Br)cc(F)c1[O-]	ZINC001627548445	1171507931	/nfs/dbraw/zinc/50/79/31/1171507931.db2.gz	IRIXEFZRXVOKIS-ZCFIWIBFSA-N	-1	0	303.087	0.908	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCc2ccccc2O)c(=O)[n-]c1=O	ZINC001631539655	1171596484	/nfs/dbraw/zinc/59/64/84/1171596484.db2.gz	ALPCPEGRGMYDHJ-UHFFFAOYSA-N	-1	0	314.301	0.233	20	30		DCEDRM
CC(=C([O-])n1ncc(C#N)c1N)S(=O)(=O)c1ccc(F)cc1	ZINC001634236325	1171668023	/nfs/dbraw/zinc/66/80/23/1171668023.db2.gz	PTYQSYNOWUJOJS-MRVPVSSYSA-N	-1	0	322.321	0.979	20	30		DCEDRM
N#C[C@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCc2ccccc2C1	ZINC001634339747	1171670878	/nfs/dbraw/zinc/67/08/78/1171670878.db2.gz	NCPIPPAMZODVJZ-HNNXBMFYSA-N	-1	0	313.317	0.257	20	30		DCEDRM
COC(=O)C[C@@H](C)N(OC)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001640843572	1171894563	/nfs/dbraw/zinc/89/45/63/1171894563.db2.gz	SCYSJNQTYNFAHX-SECBINFHSA-N	-1	0	307.306	0.923	20	30		DCEDRM
COc1ccc(C)cc1CCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001646630746	1172448473	/nfs/dbraw/zinc/44/84/73/1172448473.db2.gz	IGUKWVZRRMALDU-UHFFFAOYSA-N	-1	0	314.345	0.917	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H]2COc3ccccc3C2)c(C#N)c1=O	ZINC001646631761	1172448962	/nfs/dbraw/zinc/44/89/62/1172448962.db2.gz	YZOPENIYTQIYNL-JTQLQIEISA-N	-1	0	312.329	0.608	20	30		DCEDRM
CCC1(CC)[C@@H](OC)C[C@@H]1N(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001646634399	1172449725	/nfs/dbraw/zinc/44/97/25/1172449725.db2.gz	OUJZAJPCORRZSZ-RYUDHWBXSA-N	-1	0	320.393	0.975	20	30		DCEDRM
N#Cc1cccc(C2(C(=O)[N-]S(=O)(=O)c3cc[nH]n3)CC2)c1	ZINC001647172841	1172718535	/nfs/dbraw/zinc/71/85/35/1172718535.db2.gz	HVXJSNFKRNZMJN-UHFFFAOYSA-N	-1	0	316.342	0.818	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](C2CC2)[C@@H]2CCCCO2)c(C#N)c1=O	ZINC001647628032	1173005856	/nfs/dbraw/zinc/00/58/56/1173005856.db2.gz	ASHHGEAODJAKFE-RYUDHWBXSA-N	-1	0	304.350	0.705	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CC1	ZINC001649817197	1173242259	/nfs/dbraw/zinc/24/22/59/1173242259.db2.gz	FTWZVSGLRVMOLM-UHFFFAOYSA-N	-1	0	310.335	0.164	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCn2cnc3ccccc32)c(C#N)c1=O	ZINC001655035988	1173815504	/nfs/dbraw/zinc/81/55/04/1173815504.db2.gz	KSYUWSJEXLELMZ-UHFFFAOYSA-N	-1	0	310.317	0.407	20	30		DCEDRM
COc1cc(Cn2c(=O)[n-]cc(C#N)c2=O)c([N+](=O)[O-])cc1F	ZINC001656660357	1173875564	/nfs/dbraw/zinc/87/55/64/1173875564.db2.gz	QASMKOLAGKSNLP-UHFFFAOYSA-N	-1	0	320.236	0.512	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001661181597	1174104382	/nfs/dbraw/zinc/10/43/82/1174104382.db2.gz	IXJYKCPBAMGCPK-SECBINFHSA-N	-1	0	316.335	0.763	20	30		DCEDRM
CCS(=O)(=O)CCCNS(=O)(=O)c1ccc(C#N)o1	ZINC001669731548	1174945493	/nfs/dbraw/zinc/94/54/93/1174945493.db2.gz	ZKEHBGKZAWYJTI-UHFFFAOYSA-N	-1	0	306.365	0.254	20	30		DCEDRM
C=C/C=C\CCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001685038770	1176009601	/nfs/dbraw/zinc/00/96/01/1176009601.db2.gz	KQQYFCVURSXCGQ-ARJAWSKDSA-N	-1	0	303.322	0.252	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001688603077	1176536160	/nfs/dbraw/zinc/53/61/60/1176536160.db2.gz	RGVDSDQLGJZUSJ-VIFPVBQESA-N	-1	0	306.366	0.967	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)C#CC(C)(C)C)c1[O-]	ZINC001689526550	1176931578	/nfs/dbraw/zinc/93/15/78/1176931578.db2.gz	BYMIDEMQFCNVCB-NSHDSACASA-N	-1	0	318.377	0.804	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001690445846	1177243612	/nfs/dbraw/zinc/24/36/12/1177243612.db2.gz	FGEWMKKYQHEBGQ-RYUDHWBXSA-N	-1	0	321.381	0.019	20	30		DCEDRM
C=CCOCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001690494711	1177255062	/nfs/dbraw/zinc/25/50/62/1177255062.db2.gz	IPCXIONVKQPWTD-NWDGAFQWSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=CCOCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001690494713	1177256777	/nfs/dbraw/zinc/25/67/77/1177256777.db2.gz	IPCXIONVKQPWTD-VXGBXAGGSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001705199168	1180293743	/nfs/dbraw/zinc/29/37/43/1180293743.db2.gz	DNDCRYAUYNZEHS-QWRGUYRKSA-N	-1	0	322.365	0.346	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2(CNC(=O)C#CC(C)(C)C)CC2)c1[O-]	ZINC001705260945	1180325365	/nfs/dbraw/zinc/32/53/65/1180325365.db2.gz	FDIDNBAPDYUEAH-UHFFFAOYSA-N	-1	0	318.377	0.852	20	30		DCEDRM
C=CCCCC(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001717139398	1182691804	/nfs/dbraw/zinc/69/18/04/1182691804.db2.gz	YBMRBEMNLLHHJJ-LLVKDONJSA-N	-1	0	309.370	0.184	20	30		DCEDRM
C=C[C@H](C)[C@@H](C)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001721336140	1183896463	/nfs/dbraw/zinc/89/64/63/1183896463.db2.gz	IVJIVROXSCYCHI-DTWKUNHWSA-N	-1	0	306.366	0.823	20	30		DCEDRM
C=CCOCC(=O)N(CC)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001732179390	1185723750	/nfs/dbraw/zinc/72/37/50/1185723750.db2.gz	GTZUKYWFWUGBNA-NSHDSACASA-N	-1	0	309.370	0.136	20	30		DCEDRM
N#CCNC[C@@H]1CCC[C@H]1NC(=O)c1c[n-]n2c1nccc2=O	ZINC001732622079	1185877445	/nfs/dbraw/zinc/87/74/45/1185877445.db2.gz	HCDHMGPOHLDMFB-CMPLNLGQSA-N	-1	0	314.349	0.034	20	30		DCEDRM
CC#CCCCC(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001734120072	1186552469	/nfs/dbraw/zinc/55/24/69/1186552469.db2.gz	CIZCHQXNGPLMBB-LLVKDONJSA-N	-1	0	305.382	0.640	20	30		DCEDRM
C=C(C)CCC(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001738766011	1187649614	/nfs/dbraw/zinc/64/96/14/1187649614.db2.gz	UQDKYCZORRVSFT-UHFFFAOYSA-N	-1	0	321.337	0.018	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001738876945	1187680443	/nfs/dbraw/zinc/68/04/43/1187680443.db2.gz	TUJOTGTZSMJFOG-JTQLQIEISA-N	-1	0	324.381	0.233	20	30		DCEDRM
CCN(C(=O)CSCC#N)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001753452224	1188600783	/nfs/dbraw/zinc/60/07/83/1188600783.db2.gz	UZMAXVRTCKXGLI-JTQLQIEISA-N	-1	0	324.410	0.190	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1	ZINC001755165014	1189042754	/nfs/dbraw/zinc/04/27/54/1189042754.db2.gz	CWMBXHMUYUMTCQ-NEPJUHHUSA-N	-1	0	323.397	0.572	20	30		DCEDRM
Cc1nc[nH]c(=O)c1CCC(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC001771827522	1190516374	/nfs/dbraw/zinc/51/63/74/1190516374.db2.gz	ONROHAYYYBEESI-CYBMUJFWSA-N	-1	0	315.377	0.622	20	30		DCEDRM
C[C@H]1CO[C@H](C(F)(F)F)CN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001772117955	1190611482	/nfs/dbraw/zinc/61/14/82/1190611482.db2.gz	UEAUKYDKCUKJRL-XPUUQOCRSA-N	-1	0	318.255	0.101	20	30		DCEDRM
C=CCCCC(=O)N(CCO)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001058621325	747786379	/nfs/dbraw/zinc/78/63/79/747786379.db2.gz	CFYLAMPMPDCYLU-UHFFFAOYSA-N	-1	0	324.381	0.331	20	30		DCEDRM
N#Cc1cc(Cl)nc(NC(=N)SCCS(=O)(=O)[O-])n1	ZINC001168086801	749362942	/nfs/dbraw/zinc/36/29/42/749362942.db2.gz	BOGISEUPBNYEAO-UHFFFAOYSA-N	-1	0	321.771	0.969	20	30		DCEDRM
C=C(C)CCCO[C@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001224278799	749961365	/nfs/dbraw/zinc/96/13/65/749961365.db2.gz	DJEWOMVCLOVCFP-CYBMUJFWSA-N	-1	0	307.412	0.948	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C	ZINC001071910109	762218980	/nfs/dbraw/zinc/21/89/80/762218980.db2.gz	TVYQLIXYGRMYEA-PWSUYJOCSA-N	-1	0	318.377	0.804	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)c1[O-]	ZINC001072035838	762311991	/nfs/dbraw/zinc/31/19/91/762311991.db2.gz	QLZBGKRVLWLREI-ZYHUDNBSSA-N	-1	0	318.377	0.660	20	30		DCEDRM
C=CCCC(=O)N1CCO[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001064954995	755602306	/nfs/dbraw/zinc/60/23/06/755602306.db2.gz	AJEXBEUFSOZEPZ-NSHDSACASA-N	-1	0	322.365	0.347	20	30		DCEDRM
C=CCOCC(=O)N(CC)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001079490518	755877542	/nfs/dbraw/zinc/87/75/42/755877542.db2.gz	SRAKNQHGZVIIRK-UHFFFAOYSA-N	-1	0	322.365	0.299	20	30		DCEDRM
C=C(C)CN1CC2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])CCO2	ZINC001053224941	755963377	/nfs/dbraw/zinc/96/33/77/755963377.db2.gz	CSSZBCHJVLUHDJ-UHFFFAOYSA-N	-1	0	306.366	0.527	20	30		DCEDRM
CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cc(C#N)c[nH]1	ZINC001085534987	759014448	/nfs/dbraw/zinc/01/44/48/759014448.db2.gz	XLJLFKIVAGKRBU-SNVBAGLBSA-N	-1	0	315.337	0.057	20	30		DCEDRM
CC#CCCCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001148110718	767917138	/nfs/dbraw/zinc/91/71/38/767917138.db2.gz	FBFFZMNYVIQBPS-UHFFFAOYSA-N	-1	0	317.393	0.738	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc3n[nH]cc3c2)c(=O)[n-]c1=O	ZINC001148393304	767970251	/nfs/dbraw/zinc/97/02/51/767970251.db2.gz	WJSPSYUKEHTOBS-UHFFFAOYSA-N	-1	0	324.300	0.127	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1Nc1nc(F)nc2nc[nH]c21	ZINC001169962790	760941678	/nfs/dbraw/zinc/94/16/78/760941678.db2.gz	YXJXDJKDXDCWSS-UHFFFAOYSA-N	-1	0	302.229	0.918	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114255434	762903998	/nfs/dbraw/zinc/90/39/98/762903998.db2.gz	IROPMMBCETULOV-IWIIMEHWSA-N	-1	0	303.366	0.106	20	30		DCEDRM
C[C@H]1CC[C@H](NC(=O)CSCC#N)CN1Cc1n[nH]c(=O)[n-]1	ZINC001131831122	764068182	/nfs/dbraw/zinc/06/81/82/764068182.db2.gz	YKIBUTJMLRIOEL-UWVGGRQHSA-N	-1	0	324.410	0.236	20	30		DCEDRM
CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1cncc(C#N)n1	ZINC001103045773	764919518	/nfs/dbraw/zinc/91/95/18/764919518.db2.gz	FTWYRPNSPQWIMK-SECBINFHSA-N	-1	0	315.337	0.706	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)CNc2cnc(C#N)cn2)c1[O-]	ZINC001103949821	765208353	/nfs/dbraw/zinc/20/83/53/765208353.db2.gz	YNRAKSDGSKJFOI-MRVPVSSYSA-N	-1	0	315.337	0.563	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1cncnc1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170744185	765460260	/nfs/dbraw/zinc/46/02/60/765460260.db2.gz	ODYAAIVJEMQYOQ-NOZJJQNGSA-N	-1	0	308.363	0.442	20	30		DCEDRM
C=CCC(C)(C)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001119581881	766739319	/nfs/dbraw/zinc/73/93/19/766739319.db2.gz	OLQOQQOBQZUGSZ-MRXNPFEDSA-N	-1	0	310.394	0.977	20	30		DCEDRM
CC(C)=CC(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001143932410	766743621	/nfs/dbraw/zinc/74/36/21/766743621.db2.gz	WOYMCYLORDVGHN-SNVBAGLBSA-N	-1	0	312.328	0.495	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1	ZINC001120419629	767003737	/nfs/dbraw/zinc/00/37/37/767003737.db2.gz	VYLDBKSGVOHWSF-OAHLLOKOSA-N	-1	0	312.366	0.409	20	30		DCEDRM
CC(C)(C)/C=C/C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001120754163	767183665	/nfs/dbraw/zinc/18/36/65/767183665.db2.gz	OVFJCMFLOPSCHR-SNAWJCMRSA-N	-1	0	302.334	0.806	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H](OC)CC[C@@H]1C	ZINC001121561487	767592061	/nfs/dbraw/zinc/59/20/61/767592061.db2.gz	DRHCUSMJKDHPMO-QWRGUYRKSA-N	-1	0	318.381	0.692	20	30		DCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N1CC[C@@]2(CCOC2)C1	ZINC001121626413	767609278	/nfs/dbraw/zinc/60/92/78/767609278.db2.gz	PRAWISOACBWEAA-CQSZACIVSA-N	-1	0	316.369	0.185	20	30		DCEDRM
COc1cccc(CN2CCO[C@@H](C#N)C2)c1OCC(=O)[O-]	ZINC001139269608	768464441	/nfs/dbraw/zinc/46/44/41/768464441.db2.gz	MPUFDGHIBSYJNJ-LBPRGKRZSA-N	-1	0	306.318	0.883	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C#N)n(C)n1	ZINC001231356660	769232793	/nfs/dbraw/zinc/23/27/93/769232793.db2.gz	RXSFSVDGIIYWOM-SNVBAGLBSA-N	-1	0	301.324	0.130	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2cccc(F)c2O)c(=O)[n-]c1=O	ZINC001171636747	769348442	/nfs/dbraw/zinc/34/84/42/769348442.db2.gz	JYHAAGQOKPRXCF-UHFFFAOYSA-N	-1	0	318.264	0.694	20	30		DCEDRM
C=C[C@@H]1O[C@H](Oc2[nH]c(=O)nc3cn[n-]c32)[C@H]2OC(C)(C)O[C@@H]12	ZINC001233945864	769505626	/nfs/dbraw/zinc/50/56/26/769505626.db2.gz	WOSYXGMIRLVETM-UWGFBGMZSA-N	-1	0	320.305	0.456	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cnccc1C(N)=O	ZINC001234006584	769520835	/nfs/dbraw/zinc/52/08/35/769520835.db2.gz	TWNQAPCRKMGQIS-SECBINFHSA-N	-1	0	316.335	0.018	20	30		DCEDRM
CCN(CC#N)[C@H](C)CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001154197885	770107502	/nfs/dbraw/zinc/10/75/02/770107502.db2.gz	GMLJJNMBKXGCJT-CYBMUJFWSA-N	-1	0	321.425	0.725	20	30		DCEDRM
N#Cc1ccc2[n-]c(C(=O)n3cc(N)c(=O)nc3N)cc(=O)c2c1	ZINC001154560494	770220117	/nfs/dbraw/zinc/22/01/17/770220117.db2.gz	LKMQQZSEFBWYPG-UHFFFAOYSA-N	-1	0	322.284	0.052	20	30		DCEDRM
Cc1nc(Cl)nc(NCC[N-]C(=O)C(F)(F)F)c1C#N	ZINC001156203361	770747182	/nfs/dbraw/zinc/74/71/82/770747182.db2.gz	QNZKTWZGVMWWGS-UHFFFAOYSA-N	-1	0	307.663	0.822	20	30		DCEDRM
N#Cc1ccccc1N1CCC(C(=O)NCc2nnn[n-]2)CC1	ZINC001180505844	771130097	/nfs/dbraw/zinc/13/00/97/771130097.db2.gz	GUQFZBOARKDTIG-UHFFFAOYSA-N	-1	0	311.349	0.604	20	30		DCEDRM
C#CCNC(=O)COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC001182549425	771504563	/nfs/dbraw/zinc/50/45/63/771504563.db2.gz	FQTIALRQWIGZNM-LBPRGKRZSA-N	-1	0	318.354	0.709	20	30		DCEDRM
C[C@H]1[C@H](Nc2ccc(Cl)c(C#N)n2)C(=O)N1S(=O)(=O)[O-]	ZINC001157067658	771526226	/nfs/dbraw/zinc/52/62/26/771526226.db2.gz	LTDWAZLPVPLWNW-CDUCUWFYSA-N	-1	0	316.726	0.421	20	30		DCEDRM
N#C[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]1SC(=O)[N-]C1=O	ZINC001183615911	771677632	/nfs/dbraw/zinc/67/76/32/771677632.db2.gz	ITAAEWPIJARXIW-UFBFGSQYSA-N	-1	0	305.315	0.500	20	30		DCEDRM
COc1ccc(C(=NC([O-])=CC(=O)C(F)(F)F)NO)nc1	ZINC001184464816	771791774	/nfs/dbraw/zinc/79/17/74/771791774.db2.gz	BYXCAHUSUDJJEB-UHFFFAOYSA-N	-1	0	305.212	0.864	20	30		DCEDRM
N#C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)C(N)=O	ZINC001184528960	771794722	/nfs/dbraw/zinc/79/47/22/771794722.db2.gz	LLCMQILPRRYVOB-SECBINFHSA-N	-1	0	322.173	0.790	20	30		DCEDRM
COc1ccc(S(=O)(=O)NC2CC(C#N)C2)cc1C(=O)[O-]	ZINC001185334586	771907003	/nfs/dbraw/zinc/90/70/03/771907003.db2.gz	ZFMMAVJOQLPBCL-UHFFFAOYSA-N	-1	0	310.331	0.974	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2cccc(-n3ccnn3)c2)c(C#N)c1=O	ZINC001186078927	771991857	/nfs/dbraw/zinc/99/18/57/771991857.db2.gz	GVSFYXRZEBWJAG-UHFFFAOYSA-N	-1	0	310.273	0.318	20	30		DCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2	ZINC001186897853	772102817	/nfs/dbraw/zinc/10/28/17/772102817.db2.gz	BQFMVLVRGHALTK-UHFFFAOYSA-N	-1	0	317.330	0.587	20	30		DCEDRM
COC(=O)c1cc([N-]S(=O)(=O)c2c[nH]cn2)ccc1C#N	ZINC001187769040	772216113	/nfs/dbraw/zinc/21/61/13/772216113.db2.gz	IOEHUGUGGGKZQQ-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
COCc1oncc1C(=O)[N-]c1c(C#N)cnn1C(=O)OC	ZINC001188331817	772288697	/nfs/dbraw/zinc/28/86/97/772288697.db2.gz	OHXYSPLSXXHWIR-UHFFFAOYSA-N	-1	0	305.250	0.756	20	30		DCEDRM
C=CCOCCCC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001189574230	772499904	/nfs/dbraw/zinc/49/99/04/772499904.db2.gz	KEEFLHGEAFWVID-GFCCVEGCSA-N	-1	0	323.397	0.526	20	30		DCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(F)cc1F	ZINC001189845419	772552791	/nfs/dbraw/zinc/55/27/91/772552791.db2.gz	IBKDIURQGOSCJF-NSHDSACASA-N	-1	0	318.301	0.839	20	30		DCEDRM
N#Cc1c(Cl)nc(Cl)nc1N[C@H]1SC(=O)[N-]C1=O	ZINC001163659590	772554369	/nfs/dbraw/zinc/55/43/69/772554369.db2.gz	JYHHFLSFNSZOEU-LURJTMIESA-N	-1	0	304.118	0.798	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ncnn3cccc23)c1	ZINC001190616034	772645520	/nfs/dbraw/zinc/64/55/20/772645520.db2.gz	HEYPNIJNGGNFJP-UHFFFAOYSA-N	-1	0	317.305	0.963	20	30		DCEDRM
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]CC#CCO)c1	ZINC001191935042	772845408	/nfs/dbraw/zinc/84/54/08/772845408.db2.gz	HYXVBLOLGVYWCV-UHFFFAOYSA-N	-1	0	322.701	0.661	20	30		DCEDRM
COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1[O-])C2	ZINC001110445437	772885649	/nfs/dbraw/zinc/88/56/49/772885649.db2.gz	SKGLHNVGEDUULZ-UPJWGTAASA-N	-1	0	318.377	0.409	20	30		DCEDRM
CCOC(=O)c1nc(Cl)ncc1[N-]S(=O)(=O)CC#N	ZINC001192944018	772976549	/nfs/dbraw/zinc/97/65/49/772976549.db2.gz	XWMSEOKSDMKOAD-UHFFFAOYSA-N	-1	0	304.715	0.572	20	30		DCEDRM
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cnn(C)c1C#N	ZINC001193024826	772997768	/nfs/dbraw/zinc/99/77/68/772997768.db2.gz	WFRLMNYZHJSCJC-UHFFFAOYSA-N	-1	0	300.340	0.375	20	30		DCEDRM
COC(=O)c1nc(Cl)cnc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193104009	773005749	/nfs/dbraw/zinc/00/57/49/773005749.db2.gz	CQQULMRGIMHHOL-RXMQYKEDSA-N	-1	0	304.715	0.570	20	30		DCEDRM
CCOC(=O)[C@H]1COCCN1C(=O)c1ccc([O-])c(C#N)c1	ZINC001193503897	773075154	/nfs/dbraw/zinc/07/51/54/773075154.db2.gz	ISLJCRSZVNIJJK-GFCCVEGCSA-N	-1	0	304.302	0.668	20	30		DCEDRM
COc1ccc(C#N)c(S(=O)(=O)[N-]c2c(C#N)ncn2C)c1	ZINC001193654274	773098242	/nfs/dbraw/zinc/09/82/42/773098242.db2.gz	WACBHVQZRMMNCT-UHFFFAOYSA-N	-1	0	317.330	0.973	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCN(c3ncncn3)CC2)c([O-])c1	ZINC001195751745	773476827	/nfs/dbraw/zinc/47/68/27/773476827.db2.gz	XIMKCFGDPHKYBL-UHFFFAOYSA-N	-1	0	310.317	0.411	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1nc2ncccc2cc1C#N	ZINC001195934718	773506636	/nfs/dbraw/zinc/50/66/36/773506636.db2.gz	WAXCNIJUKWOAOC-UHFFFAOYSA-N	-1	0	320.330	0.806	20	30		DCEDRM
COC(=O)[C@H](CCO)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001218221719	774217991	/nfs/dbraw/zinc/21/79/91/774217991.db2.gz	MLAZKWYSKXGZOF-NSHDSACASA-N	-1	0	303.274	0.510	20	30		DCEDRM
C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001219068400	774356642	/nfs/dbraw/zinc/35/66/42/774356642.db2.gz	RYHHGZWFSJPPPY-DANUVHOZSA-N	-1	0	321.308	0.473	20	30		DCEDRM
C#CCCCC(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001111729417	775372428	/nfs/dbraw/zinc/37/24/28/775372428.db2.gz	NRAIDWNBGHUWLR-LRDDRELGSA-N	-1	0	317.393	0.785	20	30		DCEDRM
CC(C)C#CC(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001223113671	775462721	/nfs/dbraw/zinc/46/27/21/775462721.db2.gz	AHIWOEXOZPAZCW-UHFFFAOYSA-N	-1	0	305.382	0.498	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cncc(C)n1	ZINC001224031644	775533046	/nfs/dbraw/zinc/53/30/46/775533046.db2.gz	DSJCHSSSJFJHKP-LBPRGKRZSA-N	-1	0	302.352	0.761	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cncc(C#N)c1	ZINC001224138656	775540797	/nfs/dbraw/zinc/54/07/97/775540797.db2.gz	KLIDJAINPGBZCS-CYBMUJFWSA-N	-1	0	312.347	0.929	20	30		DCEDRM
N#Cc1ccnc(N2CCC(OCCS(=O)(=O)[O-])CC2)c1	ZINC001224571293	775585283	/nfs/dbraw/zinc/58/52/83/775585283.db2.gz	IIULKDNCYVLSFJ-UHFFFAOYSA-N	-1	0	311.363	0.826	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(=O)[nH]c(=S)[nH]1	ZINC001225763643	775716480	/nfs/dbraw/zinc/71/64/80/775716480.db2.gz	BKIYFYHVPONKQJ-SSDOTTSWSA-N	-1	0	322.364	0.309	20	30		DCEDRM
CC[C@@H](C#CC(=O)OC)Oc1[n-]c(=O)nnc1Br	ZINC001227067428	775922989	/nfs/dbraw/zinc/92/29/89/775922989.db2.gz	YEZRBZZMESEQME-LURJTMIESA-N	-1	0	316.111	0.674	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cncc([N+](=O)[O-])c1	ZINC001227987631	776034474	/nfs/dbraw/zinc/03/44/74/776034474.db2.gz	JKBLEZGPZRXZTF-LLVKDONJSA-N	-1	0	318.307	0.828	20	30		DCEDRM
Cn1cnc2nc(=O)[n-]c(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)N4C)c21	ZINC001228675038	776113069	/nfs/dbraw/zinc/11/30/69/776113069.db2.gz	QWUYWEAVQGTZGZ-ZTEPNEHBSA-N	-1	0	303.322	0.060	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncncc1CC	ZINC001230033115	776245927	/nfs/dbraw/zinc/24/59/27/776245927.db2.gz	QVDXOQLADHTNSC-LLVKDONJSA-N	-1	0	302.352	0.877	20	30		DCEDRM
C=CC[C@@H](C(=O)[O-])N1CCc2sc(S(N)(=O)=O)cc2C1	ZINC001602835988	1169190433	/nfs/dbraw/zinc/19/04/33/1169190433.db2.gz	DHUMFGHRLBCHNY-VIFPVBQESA-N	-1	0	316.404	0.783	20	30		DCEDRM
C=CCN1CC[C@H](N2CC[C@@H](C(=O)[O-])C[C@H]2C(=O)OC)C1=O	ZINC001602898519	1169200406	/nfs/dbraw/zinc/20/04/06/1169200406.db2.gz	VIROGGGYYWEMKN-WOPDTQHZSA-N	-1	0	310.350	0.112	20	30		DCEDRM
N#C/N=C1\SCCN1Cc1ccc(N[C@@H]2CO[N-]C2=O)nc1	ZINC001167510978	939330486	/nfs/dbraw/zinc/33/04/86/939330486.db2.gz	LFLJUZGJQFZWHZ-JITTUONFSA-N	-1	0	318.362	0.309	20	30		DCEDRM
C#CCCCCC(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001481089725	939555526	/nfs/dbraw/zinc/55/55/26/939555526.db2.gz	UGXGSFKJCUVCSH-GFCCVEGCSA-N	-1	0	305.382	0.642	20	30		DCEDRM
CCN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001481766112	940127825	/nfs/dbraw/zinc/12/78/25/940127825.db2.gz	CKMLTLUVJHGGAY-GFCCVEGCSA-N	-1	0	319.409	0.983	20	30		DCEDRM
C#CCN1CCC2(CCN(C(=O)c3ccncc3[O-])CC2)C1=O	ZINC001271403001	941367723	/nfs/dbraw/zinc/36/77/23/941367723.db2.gz	UDGLMPQPAYAKSM-UHFFFAOYSA-N	-1	0	313.357	0.875	20	30		DCEDRM
N#C[C@]1(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CCCOC1	ZINC001412849596	942106791	/nfs/dbraw/zinc/10/67/91/942106791.db2.gz	DPYWCSKYPTYAKK-SNVBAGLBSA-N	-1	0	303.244	0.760	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@](C)(O)C2CCCCC2)c(C#N)c1=O	ZINC001412883786	942123102	/nfs/dbraw/zinc/12/31/02/942123102.db2.gz	RMIMOMBKUCPZNR-HNNXBMFYSA-N	-1	0	306.366	0.688	20	30		DCEDRM
C[C@@H]1CC[C@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001412917808	942137033	/nfs/dbraw/zinc/13/70/33/942137033.db2.gz	QRNWKGXTEKEKKR-MNOVXSKESA-N	-1	0	304.350	0.763	20	30		DCEDRM
CSCC[C@H](NC(=O)c1ccc(C#N)c(C)n1)c1nnn[n-]1	ZINC001413296841	942611673	/nfs/dbraw/zinc/61/16/73/942611673.db2.gz	ITEWDEPYXIEKHY-JTQLQIEISA-N	-1	0	317.378	0.999	20	30		DCEDRM
N#Cc1cn(CCNC(=O)COCC2CCCC2)c(=O)[n-]c1=O	ZINC001413308307	942619356	/nfs/dbraw/zinc/61/93/56/942619356.db2.gz	KJSPFRWAGRBQMC-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1	ZINC001601063476	970926024	/nfs/dbraw/zinc/92/60/24/970926024.db2.gz	WCIPZKHVUPEWCC-OAHLLOKOSA-N	-1	0	304.302	0.641	20	30		DCEDRM
COCC#CC[N@@H+]1CCC[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC001491099538	943755375	/nfs/dbraw/zinc/75/53/75/943755375.db2.gz	CNOCMRJANYJCDF-CQSZACIVSA-N	-1	0	317.389	0.879	20	30		DCEDRM
CC1(CCNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001413808233	944111485	/nfs/dbraw/zinc/11/14/85/944111485.db2.gz	LNNOQYAASLZJMZ-UHFFFAOYSA-N	-1	0	305.338	0.310	20	30		DCEDRM
C=CCOC[C@H](O)CNc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001252481894	945946189	/nfs/dbraw/zinc/94/61/89/945946189.db2.gz	GJUGUSVGHGIFDS-CYBMUJFWSA-N	-1	0	308.334	0.476	20	30		DCEDRM
C=CC[C@@H](NC(=O)NCCCOC[C@H]1CCCO1)C(=O)[O-]	ZINC001321112148	946172775	/nfs/dbraw/zinc/17/27/75/946172775.db2.gz	WAGUBIYERFCFTB-VXGBXAGGSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CC[C@@H](NC(=O)Cn1cnc2c(C)cccc2c1=O)C(=O)[O-]	ZINC001321166585	946197345	/nfs/dbraw/zinc/19/73/45/946197345.db2.gz	GLLVCDTWJCDFHO-GFCCVEGCSA-N	-1	0	315.329	0.850	20	30		DCEDRM
C=CC[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)C(=O)[O-]	ZINC001321167341	946197809	/nfs/dbraw/zinc/19/78/09/946197809.db2.gz	UQRFZVGPTFLGCV-LBPRGKRZSA-N	-1	0	311.359	0.990	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)C(=O)[O-]	ZINC001321658745	946417101	/nfs/dbraw/zinc/41/71/01/946417101.db2.gz	VSZBLGFGKDRJDL-GHMZBOCLSA-N	-1	0	318.395	0.194	20	30		DCEDRM
C#CC1(NC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CCCC1	ZINC001602672779	971238376	/nfs/dbraw/zinc/23/83/76/971238376.db2.gz	QHFZBXFQFFOXDA-UHFFFAOYSA-N	-1	0	301.302	0.781	20	30		DCEDRM
C=CC[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)C(=O)[O-]	ZINC001322600642	946740256	/nfs/dbraw/zinc/74/02/56/946740256.db2.gz	NJCHYUBODKBPDE-CYBMUJFWSA-N	-1	0	315.329	0.932	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CSc1nnnn1C1CCCC1	ZINC001602683356	971271678	/nfs/dbraw/zinc/27/16/78/971271678.db2.gz	BOKAVONXRCSBNS-UHFFFAOYSA-N	-1	0	323.378	0.427	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC1CCC(C(=O)OCC)CC1	ZINC001602683724	971275613	/nfs/dbraw/zinc/27/56/13/971275613.db2.gz	IUYBCVNDWFZAQE-UHFFFAOYSA-N	-1	0	310.350	0.838	20	30		DCEDRM
CCOC(=O)c1nonc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC001258036124	946791934	/nfs/dbraw/zinc/79/19/34/946791934.db2.gz	OTVUDJHGBJZSHF-UHFFFAOYSA-N	-1	0	322.302	0.919	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1ccc(NC(C)=O)cc1	ZINC001602685839	971283123	/nfs/dbraw/zinc/28/31/23/971283123.db2.gz	HERUGGXTZLWJOH-UHFFFAOYSA-N	-1	0	317.345	0.917	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCC(=O)N1CCC[C@@H](C)C1	ZINC001602686282	971287316	/nfs/dbraw/zinc/28/73/16/971287316.db2.gz	ZCORLEBNNYMERQ-GFCCVEGCSA-N	-1	0	309.366	0.364	20	30		DCEDRM
COC(=O)c1sccc1S(=O)(=O)[N-]c1nnccc1C#N	ZINC001259005967	946890612	/nfs/dbraw/zinc/89/06/12/946890612.db2.gz	NLMCAUPVFUEJIX-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(Cn2cc(C)cn2)on1	ZINC001602691261	971294292	/nfs/dbraw/zinc/29/42/92/971294292.db2.gz	DJUGHCNBMQQCLB-UHFFFAOYSA-N	-1	0	302.290	0.388	20	30		DCEDRM
C#CCN1CC2(CN(Cc3cc(F)c(F)cc3O)C2)OCC1=O	ZINC001273375148	946912031	/nfs/dbraw/zinc/91/20/31/946912031.db2.gz	VVOSLEAAXVUSCG-UHFFFAOYSA-N	-1	0	322.311	0.717	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)[N-]c2nccnc2C(N)=O)ccc1F	ZINC001259412617	946956184	/nfs/dbraw/zinc/95/61/84/946956184.db2.gz	NEBYTEHLTLWJSE-UHFFFAOYSA-N	-1	0	321.293	0.387	20	30		DCEDRM
C=C(Cl)CN(C)C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573294670	946994161	/nfs/dbraw/zinc/99/41/61/946994161.db2.gz	FXAJZSKWGNTBQH-VIFPVBQESA-N	-1	0	323.788	0.997	20	30		DCEDRM
C=CCS(=O)(=O)[N-]c1c(F)c(OC)c(OC)cc1C(N)=O	ZINC001259929656	947026176	/nfs/dbraw/zinc/02/61/76/947026176.db2.gz	OICHFMHGPASELF-UHFFFAOYSA-N	-1	0	318.326	0.870	20	30		DCEDRM
COc1ncnc([N-]S(=O)(=O)c2c(C)nn(C)c2C)c1C#N	ZINC001260105982	947067862	/nfs/dbraw/zinc/06/78/62/947067862.db2.gz	GIDLSTJSILOELM-UHFFFAOYSA-N	-1	0	322.350	0.508	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2c(C)n[nH]c2C)n1CC	ZINC001602701037	971324969	/nfs/dbraw/zinc/32/49/69/971324969.db2.gz	SOZVXYGQZHGJOJ-UHFFFAOYSA-N	-1	0	316.365	0.753	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CCC1=O	ZINC001260187517	947080869	/nfs/dbraw/zinc/08/08/69/947080869.db2.gz	UHZJESPQMFPYOU-SNVBAGLBSA-N	-1	0	308.315	0.488	20	30		DCEDRM
CCOC(=O)C(C#N)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001260192271	947081782	/nfs/dbraw/zinc/08/17/82/947081782.db2.gz	HOCIXFPQKYBRND-SNVBAGLBSA-N	-1	0	312.303	0.118	20	30		DCEDRM
N#C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CCCC1	ZINC001462455407	1013070992	/nfs/dbraw/zinc/07/09/92/1013070992.db2.gz	OZNFJQSTABUZKB-LLVKDONJSA-N	-1	0	300.322	0.270	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC001602707480	971344365	/nfs/dbraw/zinc/34/43/65/971344365.db2.gz	WYSCVBAGFVXBNF-SDDRHHMPSA-N	-1	0	318.395	0.351	20	30		DCEDRM
C=CCN(CCc1ccco1)C(=O)c1cn(CC(=O)[O-])nn1	ZINC001602722725	971388990	/nfs/dbraw/zinc/38/89/90/971388990.db2.gz	JYQYAIGLZLRFHY-UHFFFAOYSA-N	-1	0	304.306	0.827	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCC2	ZINC001263302755	947828176	/nfs/dbraw/zinc/82/81/76/947828176.db2.gz	CALAWUWMCQIRPO-NSHDSACASA-N	-1	0	304.350	0.384	20	30		DCEDRM
COC(=O)CCCCS(=O)(=O)[N-]c1cn(C)nc1C#N	ZINC001196922916	948055585	/nfs/dbraw/zinc/05/55/85/948055585.db2.gz	URTPZFREODDWQZ-UHFFFAOYSA-N	-1	0	300.340	0.377	20	30		DCEDRM
N#CCCn1ccc(NC(=O)C(=O)[N-]O[C@@H]2CCCCO2)n1	ZINC001326117039	948058037	/nfs/dbraw/zinc/05/80/37/948058037.db2.gz	MFJFTLYHABVIPP-LLVKDONJSA-N	-1	0	307.310	0.310	20	30		DCEDRM
C=CC[C@H](NC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC001327574960	948558400	/nfs/dbraw/zinc/55/84/00/948558400.db2.gz	NDOYPHFNYAKEPS-NDBYEHHHSA-N	-1	0	313.398	0.813	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)CC(=O)[O-]	ZINC001327840569	948640910	/nfs/dbraw/zinc/64/09/10/948640910.db2.gz	RFPNUNKCECKUOJ-SNVBAGLBSA-N	-1	0	304.302	0.617	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)N1CCc2ccc(C#N)cc21)C(=O)[O-]	ZINC001327842613	948640947	/nfs/dbraw/zinc/64/09/47/948640947.db2.gz	ZFMCTLDMIYXJTH-JTQLQIEISA-N	-1	0	315.329	0.626	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](C(=O)N2CCCC2)C1	ZINC001602779146	971514475	/nfs/dbraw/zinc/51/44/75/971514475.db2.gz	SCIOTVWQGCLGID-XHDPSFHLSA-N	-1	0	307.350	0.462	20	30		DCEDRM
CC(C)[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCCO1	ZINC001574099534	949179012	/nfs/dbraw/zinc/17/90/12/949179012.db2.gz	MCYUBAWQJZFJPD-LLVKDONJSA-N	-1	0	314.353	0.780	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1cc(S(C)(=O)=O)c(C)o1)C(=O)[O-]	ZINC001329216223	949442891	/nfs/dbraw/zinc/44/28/91/949442891.db2.gz	VDWHVCFEMWYMLF-MRVPVSSYSA-N	-1	0	301.320	0.751	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@H](c3ccncn3)C2)c(C#N)c1=O	ZINC001364538891	949522440	/nfs/dbraw/zinc/52/24/40/949522440.db2.gz	RCHAGLJIOJINSW-JTQLQIEISA-N	-1	0	312.333	0.119	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC(=O)OC2CCCCC2)c(C#N)c1=O	ZINC001364543887	949530330	/nfs/dbraw/zinc/53/03/30/949530330.db2.gz	REVCOQFSDIRSJH-UHFFFAOYSA-N	-1	0	306.322	0.233	20	30		DCEDRM
O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)N1CCC2(CC1)CC(=O)C=CO2	ZINC001595279993	949966276	/nfs/dbraw/zinc/96/62/76/949966276.db2.gz	HJWHTOSQQHOPAO-PHIMTYICSA-N	-1	0	308.334	0.897	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]N2CCCNC2=O)c1Cl	ZINC001364847966	950063604	/nfs/dbraw/zinc/06/36/04/950063604.db2.gz	BDFLOFWVRWGIFZ-UHFFFAOYSA-N	-1	0	314.754	0.820	20	30		DCEDRM
N#Cc1cn(CCNC(=O)OCCC(F)(F)F)c(=O)[n-]c1=O	ZINC001364912405	950176591	/nfs/dbraw/zinc/17/65/91/950176591.db2.gz	AYZMJJZHZNJOSL-UHFFFAOYSA-N	-1	0	320.227	0.499	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2([C@@H]3CCCCO3)CC2)c(=O)[n-]c1=O	ZINC001364954438	950255071	/nfs/dbraw/zinc/25/50/71/950255071.db2.gz	UHVXNKXIJDYOIF-NSHDSACASA-N	-1	0	318.333	0.038	20	30		DCEDRM
Cc1nn(CCS(=O)(=O)[N-]c2cccc(CC#N)n2)c(=O)o1	ZINC001364957747	950259002	/nfs/dbraw/zinc/25/90/02/950259002.db2.gz	WSBCAUAOTCHUOB-UHFFFAOYSA-N	-1	0	323.334	0.048	20	30		DCEDRM
CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1F	ZINC001364972498	950281484	/nfs/dbraw/zinc/28/14/84/950281484.db2.gz	QOYNYUVVPMEESA-SECBINFHSA-N	-1	0	313.354	0.890	20	30		DCEDRM
CCC(F)(F)CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365219858	950759958	/nfs/dbraw/zinc/75/99/58/950759958.db2.gz	UBYINGWPKGSTKM-UHFFFAOYSA-N	-1	0	315.280	0.165	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCN(CC(F)F)CC1)cc2=O	ZINC001365268304	950851188	/nfs/dbraw/zinc/85/11/88/950851188.db2.gz	LEJPLQSALUJKEY-UHFFFAOYSA-N	-1	0	322.319	0.689	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1C[C@H](O)CC(F)(F)C1)cc2=O	ZINC001365289570	950891550	/nfs/dbraw/zinc/89/15/50/950891550.db2.gz	DZDGBRFGTCZQSZ-SNVBAGLBSA-N	-1	0	309.276	0.508	20	30		DCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)N(C)CC(=O)OCC	ZINC001331540180	951165323	/nfs/dbraw/zinc/16/53/23/951165323.db2.gz	OGDPEZGLMQIPCO-UHFFFAOYSA-N	-1	0	318.395	0.611	20	30		DCEDRM
C#CCCCCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001332149523	951501322	/nfs/dbraw/zinc/50/13/22/951501322.db2.gz	SJIIGUNFBAYTBU-MRXNPFEDSA-N	-1	0	308.378	0.568	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001332628892	951730451	/nfs/dbraw/zinc/73/04/51/951730451.db2.gz	CJHSCUBTAXYCHJ-CVEARBPZSA-N	-1	0	310.394	0.977	20	30		DCEDRM
O=C([O-])COc1cccc(C(=O)N[C@H]2CCCN(O)C2=O)c1	ZINC001595120907	951975642	/nfs/dbraw/zinc/97/56/42/951975642.db2.gz	SOLCAMGZIUFHMJ-NSHDSACASA-N	-1	0	308.290	0.260	20	30		DCEDRM
C=CC[C@@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001333318058	952002833	/nfs/dbraw/zinc/00/28/33/952002833.db2.gz	PGCFHQJZHBMBIN-ZYHUDNBSSA-N	-1	0	307.354	0.327	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cnc(Cl)n1C	ZINC001333649749	952123021	/nfs/dbraw/zinc/12/30/21/952123021.db2.gz	GYZVOEPPOHLVHJ-MRVPVSSYSA-N	-1	0	321.786	0.860	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC(C2CC2)C2CC2)c(=O)[n-]c1=O	ZINC001411615781	952327401	/nfs/dbraw/zinc/32/74/01/952327401.db2.gz	ABOWMKJVMHQCNS-UHFFFAOYSA-N	-1	0	302.334	0.515	20	30		DCEDRM
CC(C)C1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001411859209	952488175	/nfs/dbraw/zinc/48/81/75/952488175.db2.gz	JRNOORGUBAZTMW-UHFFFAOYSA-N	-1	0	304.350	0.763	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCSC[C@H]1CCO	ZINC001411901709	952526060	/nfs/dbraw/zinc/52/60/60/952526060.db2.gz	MTNHBYVQDAVKQR-LLVKDONJSA-N	-1	0	307.375	0.907	20	30		DCEDRM
CCO[C@@H]1COC[C@H]1NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001412090432	952640974	/nfs/dbraw/zinc/64/09/74/952640974.db2.gz	ARKPVHQKGFFDCH-GHMZBOCLSA-N	-1	0	323.374	0.914	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCc2c[nH]c(=O)[nH]2)cc1C#N	ZINC001412195416	952688723	/nfs/dbraw/zinc/68/87/23/952688723.db2.gz	OAKGPXLYSOAZLX-UHFFFAOYSA-N	-1	0	305.319	0.739	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2C[C@H]2C2CCC2)c(=O)[n-]c1=O	ZINC001412261998	952724224	/nfs/dbraw/zinc/72/42/24/952724224.db2.gz	HWXSRUNZXQXDRW-JQWIXIFHSA-N	-1	0	302.334	0.373	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCc2cccs2)c(=O)[n-]c1=O	ZINC001412346377	952756233	/nfs/dbraw/zinc/75/62/33/952756233.db2.gz	GUTAMDJDTUZEHP-UHFFFAOYSA-N	-1	0	304.331	0.589	20	30		DCEDRM
CCc1ccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001412430725	952795611	/nfs/dbraw/zinc/79/56/11/952795611.db2.gz	PTBWPVVMRGZFIV-UHFFFAOYSA-N	-1	0	318.358	0.761	20	30		DCEDRM
Cc1nc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)sc1C	ZINC001412538090	952877238	/nfs/dbraw/zinc/87/72/38/952877238.db2.gz	WOXHDOMORMAWPC-UHFFFAOYSA-N	-1	0	305.319	0.533	20	30		DCEDRM
COC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccccc2C#N)CC1	ZINC001338037602	952951857	/nfs/dbraw/zinc/95/18/57/952951857.db2.gz	IGKBZTKQZIHBOG-UHFFFAOYSA-N	-1	0	308.315	0.316	20	30		DCEDRM
N#CCCc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001412636153	952956219	/nfs/dbraw/zinc/95/62/19/952956219.db2.gz	FDRPOMJWUBMEJE-UHFFFAOYSA-N	-1	0	323.312	0.915	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CCc3n[nH]c(C(N)=O)c3C2)c1[O-]	ZINC001276215478	953012229	/nfs/dbraw/zinc/01/22/29/953012229.db2.gz	LKLFLEIBAXQVMA-UHFFFAOYSA-N	-1	0	311.301	0.284	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@@H](CCF)C1	ZINC001339053821	953070709	/nfs/dbraw/zinc/07/07/09/953070709.db2.gz	ALIPDRTZNZFBFX-JTQLQIEISA-N	-1	0	322.344	0.253	20	30		DCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N1CCSC[C@H]1C	ZINC001340359607	953164224	/nfs/dbraw/zinc/16/42/24/953164224.db2.gz	VHHQWXBNRAXSOP-SNVBAGLBSA-N	-1	0	320.426	0.704	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](C2CC2)C1	ZINC001340431627	953169177	/nfs/dbraw/zinc/16/91/77/953169177.db2.gz	VCGQTEAQUAKDLH-LLVKDONJSA-N	-1	0	300.366	0.924	20	30		DCEDRM
O=C([O-])C1(C(=O)NCc2ccc(C(=O)NO)cc2)CCOCC1	ZINC001594781146	953629975	/nfs/dbraw/zinc/62/99/75/953629975.db2.gz	HQZLLLORYPJLGC-UHFFFAOYSA-N	-1	0	322.317	0.303	20	30		DCEDRM
C#CCN(CC#C)c1nnc(CCc2nn[nH]n2)n1CC1CC1	ZINC001346066175	953796113	/nfs/dbraw/zinc/79/61/13/953796113.db2.gz	HFEMMUFJXXRAMF-UHFFFAOYSA-N	-1	0	310.365	0.059	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(Br)n(C)n1	ZINC001346240679	953833321	/nfs/dbraw/zinc/83/33/21/953833321.db2.gz	VMFUXTMEHMZVKV-SSDOTTSWSA-N	-1	0	311.139	0.807	20	30		DCEDRM
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cn2)[C@H]1C(=O)[O-]	ZINC001589333709	953967854	/nfs/dbraw/zinc/96/78/54/953967854.db2.gz	XXJALBRFZVICIB-BXKDBHETSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CN(C)[C@@H](CCNC(=O)[C@](C)(C#N)CC(=O)[O-])C(F)(F)F	ZINC001593690842	954028642	/nfs/dbraw/zinc/02/86/42/954028642.db2.gz	HZABKFDTPKUZRT-KWQFWETISA-N	-1	0	309.288	0.990	20	30		DCEDRM
C[C@@H]1CN(C(=O)C2(CC(=O)[O-])CCOCC2)C[C@@H](C)N1CC#N	ZINC001589376791	954264573	/nfs/dbraw/zinc/26/45/73/954264573.db2.gz	XIDJWOOAESJHSK-CHWSQXEVSA-N	-1	0	323.393	0.703	20	30		DCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001593759309	954469100	/nfs/dbraw/zinc/46/91/00/954469100.db2.gz	CLVDGUMWKPUFBW-ZDUSSCGKSA-N	-1	0	315.329	0.450	20	30		DCEDRM
CC(C)(C)[C@@H](CNCC#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001284630851	955207303	/nfs/dbraw/zinc/20/73/03/955207303.db2.gz	KEJCVZDUYOKGKO-LLVKDONJSA-N	-1	0	316.365	0.280	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(NC(C)=O)ccc1C)C(=O)[O-]	ZINC000387568844	972127790	/nfs/dbraw/zinc/12/77/90/972127790.db2.gz	NAZJBGSPWPETFD-GFCCVEGCSA-N	-1	0	324.358	0.708	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001285757593	955958928	/nfs/dbraw/zinc/95/89/28/955958928.db2.gz	HFDNNLUJHLZZLK-QMMMGPOBSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C=C(C)CO[N-]C(=O)COc1ccc(S(N)(=O)=O)cc1	ZINC001300220416	955960286	/nfs/dbraw/zinc/96/02/86/955960286.db2.gz	UVHWYIKVNHBKKQ-UHFFFAOYSA-N	-1	0	300.336	0.337	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2cnccc2C#N)CC1	ZINC001593921830	956085484	/nfs/dbraw/zinc/08/54/84/956085484.db2.gz	BDRNBVDYZGQGOG-HNNXBMFYSA-N	-1	0	318.333	0.092	20	30		DCEDRM
N#CC1(NC(=O)COC(=O)[C@@H](C(=O)[O-])C2CCCC2)CCC1	ZINC001594601594	956136748	/nfs/dbraw/zinc/13/67/48/956136748.db2.gz	FPLINJSNEBKFPM-GFCCVEGCSA-N	-1	0	308.334	0.983	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1	ZINC001594606004	956176214	/nfs/dbraw/zinc/17/62/14/956176214.db2.gz	OGPCAAFTTORZDJ-OAHLLOKOSA-N	-1	0	305.334	0.382	20	30		DCEDRM
N#CC[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(F)(F)F	ZINC001594606404	956182596	/nfs/dbraw/zinc/18/25/96/956182596.db2.gz	SRHOYXSZUAWYMC-MRVPVSSYSA-N	-1	0	317.223	0.507	20	30		DCEDRM
N#CCc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC001594611452	956215197	/nfs/dbraw/zinc/21/51/97/956215197.db2.gz	TZDZONFJBXQWBS-GFCCVEGCSA-N	-1	0	317.301	0.003	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c[nH]1	ZINC001594615740	956235606	/nfs/dbraw/zinc/23/56/06/956235606.db2.gz	DCZBZQXFPGMSDB-LLVKDONJSA-N	-1	0	304.306	0.082	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)Nc2cnn(CC(=O)[O-])c2)cc1	ZINC001594617572	956250487	/nfs/dbraw/zinc/25/04/87/956250487.db2.gz	FORHMODRIBHTMI-CYBMUJFWSA-N	-1	0	300.274	0.511	20	30		DCEDRM
N#Cc1ccc(COC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)s1	ZINC001594619624	956271034	/nfs/dbraw/zinc/27/10/34/956271034.db2.gz	LIZVLXDFTUMFLT-LLVKDONJSA-N	-1	0	322.342	0.986	20	30		DCEDRM
N#Cc1ccc(OCCN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1	ZINC001594624116	956302764	/nfs/dbraw/zinc/30/27/64/956302764.db2.gz	QKHXLYDJEOVRMR-CYBMUJFWSA-N	-1	0	324.358	0.121	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)n1	ZINC001594628463	956330684	/nfs/dbraw/zinc/33/06/84/956330684.db2.gz	VSKRDXCWRPPROA-LLVKDONJSA-N	-1	0	316.317	0.509	20	30		DCEDRM
C#CCC1(C(=O)N[C@@H](C)CNC(=O)c2[nH]nc(C)c2[O-])CCC1	ZINC001354345468	956355938	/nfs/dbraw/zinc/35/59/38/956355938.db2.gz	XNGOEWRNFNLSNL-JTQLQIEISA-N	-1	0	318.377	0.852	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)NC[C@H](C)NC(=O)c1cn[nH]n1	ZINC001354578275	956435852	/nfs/dbraw/zinc/43/58/52/956435852.db2.gz	SZQWOVFRLCTVET-IINYFYTJSA-N	-1	0	309.370	0.268	20	30		DCEDRM
CC1(C#N)CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC1	ZINC001589181677	956527369	/nfs/dbraw/zinc/52/73/69/956527369.db2.gz	NWFAPLYMYUZLPA-UHFFFAOYSA-N	-1	0	303.318	0.699	20	30		DCEDRM
CC1(C#N)CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC1	ZINC001589181945	956532116	/nfs/dbraw/zinc/53/21/16/956532116.db2.gz	UYNHHSPKOQVRMJ-UHFFFAOYSA-N	-1	0	319.321	0.058	20	30		DCEDRM
CC1(C(=O)[O-])CCN(C(=O)NCCn2cnc(C#N)n2)CC1	ZINC001589192612	956599406	/nfs/dbraw/zinc/59/94/06/956599406.db2.gz	DORQSCCIGZQIBK-UHFFFAOYSA-N	-1	0	306.326	0.046	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)C#CC(C)C)c1[O-]	ZINC001355121123	956604709	/nfs/dbraw/zinc/60/47/09/956604709.db2.gz	FBFUZJRVPWAIMB-SNVBAGLBSA-N	-1	0	306.366	0.708	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)Nc2ccnc(C#N)c2)CCO1	ZINC001593977389	956677947	/nfs/dbraw/zinc/67/79/47/956677947.db2.gz	KDLBWHWPAQJRMM-CQSZACIVSA-N	-1	0	320.305	0.287	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCCc2ccccc2)c(=O)[n-]c1=O	ZINC001463610106	1013148840	/nfs/dbraw/zinc/14/88/40/1013148840.db2.gz	XRTUEMUEAMZRGJ-UHFFFAOYSA-N	-1	0	312.329	0.570	20	30		DCEDRM
C=CCNC(=O)c1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1CCO	ZINC001290149869	956836163	/nfs/dbraw/zinc/83/61/63/956836163.db2.gz	HZYJJOWJMVRZIM-UHFFFAOYSA-N	-1	0	317.349	0.023	20	30		DCEDRM
COCCN(CC(=O)[O-])C(=O)c1cc(C#N)cc(N(C)C)c1	ZINC001593998139	956910344	/nfs/dbraw/zinc/91/03/44/956910344.db2.gz	SNHSMJBYKVJIPL-UHFFFAOYSA-N	-1	0	305.334	0.797	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC(C#N)CC2)C1	ZINC001589265735	957077668	/nfs/dbraw/zinc/07/76/68/957077668.db2.gz	JPYDPXQNEPYRHT-ZYHUDNBSSA-N	-1	0	307.350	0.318	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cnc2c(cnn2C)c1	ZINC001357599649	957326638	/nfs/dbraw/zinc/32/66/38/957326638.db2.gz	YFOVZMLHDHTKQK-LLVKDONJSA-N	-1	0	308.301	0.907	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000043511542	957434782	/nfs/dbraw/zinc/43/47/82/957434782.db2.gz	OYYDGRRNHSUILP-GFCCVEGCSA-N	-1	0	312.372	0.797	20	30		DCEDRM
CN(C)C(=O)[C@H]1CCC[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001413879807	957500534	/nfs/dbraw/zinc/50/05/34/957500534.db2.gz	MVHOTMLMNBMISU-UWVGGRQHSA-N	-1	0	319.365	0.004	20	30		DCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)N1CCCC[C@@H]1C	ZINC001413882009	957507153	/nfs/dbraw/zinc/50/71/53/957507153.db2.gz	UEVIPIHJQFRGKQ-VHSXEESVSA-N	-1	0	319.365	0.147	20	30		DCEDRM
CC(=O)N[C@@H](CSCC(=O)N[C@@](C)(C#N)C(C)C)C(=O)[O-]	ZINC000069555787	957653664	/nfs/dbraw/zinc/65/36/64/957653664.db2.gz	VWWNOGNNLLAJND-GWCFXTLKSA-N	-1	0	315.395	0.363	20	30		DCEDRM
COCC[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccco1	ZINC001413886366	957692441	/nfs/dbraw/zinc/69/24/41/957692441.db2.gz	LYEWHAZQIZXOOJ-SNVBAGLBSA-N	-1	0	304.306	0.728	20	30		DCEDRM
C=CC[C@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000150148388	957825860	/nfs/dbraw/zinc/82/58/60/957825860.db2.gz	KWGLRNVEHFBPEX-IUCAKERBSA-N	-1	0	307.393	0.052	20	30		DCEDRM
C#C[C@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1CCOCC1	ZINC001588385851	957973675	/nfs/dbraw/zinc/97/36/75/957973675.db2.gz	KDKHNHDSJXCGRW-XEZPLFJOSA-N	-1	0	322.361	0.157	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)cc1C#N	ZINC001361465973	957992884	/nfs/dbraw/zinc/99/28/84/957992884.db2.gz	CHGKVEJIGCXINF-WPRPVWTQSA-N	-1	0	319.342	0.626	20	30		DCEDRM
CN(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1nnn[n-]1	ZINC001361554769	958080557	/nfs/dbraw/zinc/08/05/57/958080557.db2.gz	OXQMAYQKKQUEAY-JTQLQIEISA-N	-1	0	315.312	0.700	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@H](c2ccnn2C)C1	ZINC001588410020	958133688	/nfs/dbraw/zinc/13/36/88/958133688.db2.gz	NPPZIQHYZZQOSW-YPMHNXCESA-N	-1	0	320.349	0.370	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(Br)nn1C	ZINC001588411110	958146514	/nfs/dbraw/zinc/14/65/14/958146514.db2.gz	LLCAFEQHUQTONO-UHFFFAOYSA-N	-1	0	315.127	0.734	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)c1	ZINC001361637210	958163092	/nfs/dbraw/zinc/16/30/92/958163092.db2.gz	MVDYVNATKWRRPF-UHFFFAOYSA-N	-1	0	301.306	0.658	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ccc3c(c2)OCO3)n1C	ZINC001588426452	958229398	/nfs/dbraw/zinc/22/93/98/958229398.db2.gz	KHYNSNMYXDJRNR-UHFFFAOYSA-N	-1	0	314.301	0.735	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1C#N	ZINC001588426653	958230215	/nfs/dbraw/zinc/23/02/15/958230215.db2.gz	VHYBEXFRQJQMKA-UHFFFAOYSA-N	-1	0	312.734	0.920	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2CC(O)C2)n1CC(=C)C	ZINC001588426716	958231815	/nfs/dbraw/zinc/23/18/15/958231815.db2.gz	AALDLMCWYCKDQS-UHFFFAOYSA-N	-1	0	304.350	0.617	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)c2ccc(F)cc2)n1C	ZINC001588426909	958235600	/nfs/dbraw/zinc/23/56/00/958235600.db2.gz	GLKOKYFFKSIUGX-ZDUSSCGKSA-N	-1	0	318.308	0.560	20	30		DCEDRM
C#CCN1CCCN(C(=O)C2(C(=O)[O-])CCSCC2)CC1	ZINC001588430101	958253185	/nfs/dbraw/zinc/25/31/85/958253185.db2.gz	HSHIHTIAXBPKHE-UHFFFAOYSA-N	-1	0	310.419	0.752	20	30		DCEDRM
C#CCNS(=O)(=O)c1cccc(-c2nc(CC(=O)[O-])no2)c1	ZINC001588430663	958259588	/nfs/dbraw/zinc/25/95/88/958259588.db2.gz	FKJUCVODPCLBNU-UHFFFAOYSA-N	-1	0	321.314	0.275	20	30		DCEDRM
C[C@@H]1CCCC[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361740122	958275503	/nfs/dbraw/zinc/27/55/03/958275503.db2.gz	DFANNSMBCXNJTR-PWSUYJOCSA-N	-1	0	304.350	0.906	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CC(=O)NC(C)(C)C	ZINC001361750494	958286143	/nfs/dbraw/zinc/28/61/43/958286143.db2.gz	CMLDUDYWQLJIMW-UHFFFAOYSA-N	-1	0	304.350	0.954	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001588433903	958302092	/nfs/dbraw/zinc/30/20/92/958302092.db2.gz	WRRJNRHEOTZSPQ-ZDUSSCGKSA-N	-1	0	302.286	0.544	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H](C)C(=O)[O-])c1	ZINC001588439213	958313406	/nfs/dbraw/zinc/31/34/06/958313406.db2.gz	JPQBDKXZIISVPV-SNVBAGLBSA-N	-1	0	303.318	0.626	20	30		DCEDRM
C=C[C@H](O)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001588451779	958413437	/nfs/dbraw/zinc/41/34/37/958413437.db2.gz	ARBZPFHUNPUFOZ-RWMBFGLXSA-N	-1	0	318.329	0.076	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)n1CCOC	ZINC001588452976	958429795	/nfs/dbraw/zinc/42/97/95/958429795.db2.gz	SRHHEABVJFZOCI-SRVKXCTJSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)C2(CC(=O)[O-])CCOCC2)C1=O	ZINC001588464373	958491224	/nfs/dbraw/zinc/49/12/24/958491224.db2.gz	NVEWOEWJENGXIJ-LBPRGKRZSA-N	-1	0	324.377	0.503	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC001588465347	958501008	/nfs/dbraw/zinc/50/10/08/958501008.db2.gz	DKBCWZGLUFENPX-LLVKDONJSA-N	-1	0	312.322	0.432	20	30		DCEDRM
C=CCN1CC[C@H](OC(=O)C2(C(=O)[O-])CCSCC2)C1=O	ZINC001588465497	958504688	/nfs/dbraw/zinc/50/46/88/958504688.db2.gz	NUWBHNGAZFOHKV-JTQLQIEISA-N	-1	0	313.375	0.915	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)C(=O)OC	ZINC001573337497	958524189	/nfs/dbraw/zinc/52/41/89/958524189.db2.gz	PIYGPOXKHWFTTN-ZYOFXKKJSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC001588472078	958540144	/nfs/dbraw/zinc/54/01/44/958540144.db2.gz	JGNIZZRQZLFQHK-SDDRHHMPSA-N	-1	0	308.382	0.934	20	30		DCEDRM
COC(=O)N1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001362064706	958681244	/nfs/dbraw/zinc/68/12/44/958681244.db2.gz	MGTRSDFBILCOBZ-UHFFFAOYSA-N	-1	0	304.306	0.492	20	30		DCEDRM
CC(=O)N1CCC(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001362123778	958775301	/nfs/dbraw/zinc/77/53/01/958775301.db2.gz	KWHCHKHWQKNROY-UHFFFAOYSA-N	-1	0	316.361	0.956	20	30		DCEDRM
CC(=O)NCc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC001588514575	958779220	/nfs/dbraw/zinc/77/92/20/958779220.db2.gz	JNAJYDISDJQEGO-MRXNPFEDSA-N	-1	0	317.345	0.943	20	30		DCEDRM
CO[C@@]1(C)C[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1(C)C	ZINC001362137858	958809097	/nfs/dbraw/zinc/80/90/97/958809097.db2.gz	JAVBDQDXVOPMFX-BONVTDFDSA-N	-1	0	320.349	0.140	20	30		DCEDRM
CCOC[C@H](C(=O)OC)N(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362151570	958832518	/nfs/dbraw/zinc/83/25/18/958832518.db2.gz	SFMAWAXGVNXPDW-LLVKDONJSA-N	-1	0	321.333	0.617	20	30		DCEDRM
Cc1ccc2c(c1)CC[C@H]2NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362153282	958835647	/nfs/dbraw/zinc/83/56/47/958835647.db2.gz	WZHRPUIXYHKTSS-CQSZACIVSA-N	-1	0	324.340	0.933	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1	ZINC001588538478	958941083	/nfs/dbraw/zinc/94/10/83/958941083.db2.gz	ISXILDCQKGODLV-BMIGLBTASA-N	-1	0	317.349	0.769	20	30		DCEDRM
CN(CC1CCOCC1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362275333	959052556	/nfs/dbraw/zinc/05/25/56/959052556.db2.gz	CZEQUCSTAYVDKM-UHFFFAOYSA-N	-1	0	320.349	0.096	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@H](c3ccco3)C2)c(=O)[n-]c1=O	ZINC001362291652	959084369	/nfs/dbraw/zinc/08/43/69/959084369.db2.gz	HRRDUPGEMNTVBQ-JTQLQIEISA-N	-1	0	314.301	0.430	20	30		DCEDRM
Cc1cn(-c2ccc(C#N)cn2)nc1NCC(=O)NCC(=O)[O-]	ZINC001594425372	959114916	/nfs/dbraw/zinc/11/49/16/959114916.db2.gz	BXCOXENIVWJRGB-UHFFFAOYSA-N	-1	0	314.305	0.060	20	30		DCEDRM
CC1(C)C[C@@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001362497749	959469484	/nfs/dbraw/zinc/46/94/84/959469484.db2.gz	RYATZSXLLHMYBX-NSHDSACASA-N	-1	0	320.349	0.284	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1	ZINC001362500135	959473406	/nfs/dbraw/zinc/47/34/06/959473406.db2.gz	KLMBEMAZNRNPAV-AWEZNQCLSA-N	-1	0	317.280	0.344	20	30		DCEDRM
COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362505701	959486650	/nfs/dbraw/zinc/48/66/50/959486650.db2.gz	KCRBPKDTQAMOAE-JQWIXIFHSA-N	-1	0	319.317	0.106	20	30		DCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC001603256054	972439639	/nfs/dbraw/zinc/43/96/39/972439639.db2.gz	CUOQWRHSNTUPQH-OAHLLOKOSA-N	-1	0	306.318	0.667	20	30		DCEDRM
CSCC[C@H](NC(=O)c1cc(C#N)[nH]c1C)c1nnn[n-]1	ZINC001363001397	960283446	/nfs/dbraw/zinc/28/34/46/960283446.db2.gz	RLRZPORFNFKZOY-JTQLQIEISA-N	-1	0	305.367	0.932	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)[C@H](C)O1	ZINC001363074666	960374576	/nfs/dbraw/zinc/37/45/76/960374576.db2.gz	HQRVAMBXGUCUSS-PTRXPTGYSA-N	-1	0	318.333	0.017	20	30		DCEDRM
CNc1ccccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363128882	960441765	/nfs/dbraw/zinc/44/17/65/960441765.db2.gz	NXLOSLNNGDMLFG-UHFFFAOYSA-N	-1	0	313.317	0.292	20	30		DCEDRM
CC(NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)(C1CC1)C1CC1	ZINC001363288649	960801036	/nfs/dbraw/zinc/80/10/36/960801036.db2.gz	RRYLMSKTPGFXJG-UHFFFAOYSA-N	-1	0	302.334	0.515	20	30		DCEDRM
N#Cc1nccc(NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])n1	ZINC001571073987	960927691	/nfs/dbraw/zinc/92/76/91/960927691.db2.gz	CBTVEDIWJPAQML-NSHDSACASA-N	-1	0	302.265	0.853	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC001571074280	960933826	/nfs/dbraw/zinc/93/38/26/960933826.db2.gz	IXKFFTIHIARKIS-NZFPMDFQSA-N	-1	0	301.368	0.164	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc(Cl)s2)c(=O)[n-]c1=O	ZINC001363481172	961243653	/nfs/dbraw/zinc/24/36/53/961243653.db2.gz	FFTKSKMTUPLXCZ-UHFFFAOYSA-N	-1	0	324.749	0.965	20	30		DCEDRM
CC(C)(CCNC(=O)C(=O)Nc1cccc(C#N)n1)C(=O)[O-]	ZINC001588767464	961248217	/nfs/dbraw/zinc/24/82/17/961248217.db2.gz	GWPYLBKOJUPPEC-UHFFFAOYSA-N	-1	0	304.306	0.509	20	30		DCEDRM
CC(C)(NC(=O)c1cn(CC(=O)[O-])nn1)c1cccc(C#N)c1	ZINC001588790454	961360591	/nfs/dbraw/zinc/36/05/91/961360591.db2.gz	IBLSFSLVNTWUPS-UHFFFAOYSA-N	-1	0	313.317	0.899	20	30		DCEDRM
C[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001571138553	961642815	/nfs/dbraw/zinc/64/28/15/961642815.db2.gz	ABKFUCLMVQRTDV-RISCZKNCSA-N	-1	0	318.329	0.832	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2nc3c(s2)CCC3)c(C#N)c1=O	ZINC001363740690	961791190	/nfs/dbraw/zinc/79/11/90/961791190.db2.gz	SNDCDKIPUPIYMN-UHFFFAOYSA-N	-1	0	303.347	0.503	20	30		DCEDRM
CO[C@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001571165298	961990883	/nfs/dbraw/zinc/99/08/83/961990883.db2.gz	LBVQDIFDKVOPPS-XYPYZODXSA-N	-1	0	324.358	0.960	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001574046448	962112374	/nfs/dbraw/zinc/11/23/74/962112374.db2.gz	KJNZYBVBIKKHQS-MNOVXSKESA-N	-1	0	323.349	0.728	20	30		DCEDRM
COc1ccccc1C[C@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364169968	962604803	/nfs/dbraw/zinc/60/48/03/962604803.db2.gz	GTYPHUPJIXXMAU-JTQLQIEISA-N	-1	0	314.345	0.997	20	30		DCEDRM
C=C(Br)CN(C)CCN(C)C(=O)CNC(=O)[O-]	ZINC001573313617	962734669	/nfs/dbraw/zinc/73/46/69/962734669.db2.gz	MGUMUIJTHAUMTO-UHFFFAOYSA-N	-1	0	308.176	0.553	20	30		DCEDRM
C=C(Br)CN1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573314063	962740594	/nfs/dbraw/zinc/74/05/94/962740594.db2.gz	VWRSEMFJLUEBIN-NXEZZACHSA-N	-1	0	317.183	0.664	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	ZINC001573324381	962783879	/nfs/dbraw/zinc/78/38/79/962783879.db2.gz	REVWOBNONBVDNT-SECBINFHSA-N	-1	0	310.397	0.502	20	30		DCEDRM
C[C@H](CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1	ZINC001588992750	962804488	/nfs/dbraw/zinc/80/44/88/962804488.db2.gz	APGZHGDVTSWQGH-ZYHUDNBSSA-N	-1	0	315.329	0.891	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573338718	962879100	/nfs/dbraw/zinc/87/91/00/962879100.db2.gz	HDYDBKAFTQIVAS-KYZUINATSA-N	-1	0	317.773	0.796	20	30		DCEDRM
C=C1CCC(C(=O)N[C@H]2CN(C(=O)CNC(=O)[O-])C[C@@H]2C)CC1	ZINC001573344050	962911085	/nfs/dbraw/zinc/91/10/85/962911085.db2.gz	MWOHNJITCQNPKG-AAEUAGOBSA-N	-1	0	323.393	0.964	20	30		DCEDRM
CC(=O)N1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@H](C)C1	ZINC001364355577	962949814	/nfs/dbraw/zinc/94/98/14/962949814.db2.gz	WVVGQGIZDAFTDZ-SNVBAGLBSA-N	-1	0	314.349	0.359	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001573360283	963035798	/nfs/dbraw/zinc/03/57/98/963035798.db2.gz	LISHGENWJMDKJY-QWRGUYRKSA-N	-1	0	301.339	0.690	20	30		DCEDRM
CC(=O)N1CCCC[C@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001573411925	963161686	/nfs/dbraw/zinc/16/16/86/963161686.db2.gz	ZLCBWVSRGWOWGJ-LBPRGKRZSA-N	-1	0	307.350	0.604	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588447018	964081759	/nfs/dbraw/zinc/08/17/59/964081759.db2.gz	CKGBSLQVMOSCPV-CHWSQXEVSA-N	-1	0	317.407	0.931	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@H]2CC23CCC3)c(=O)[n-]c1=O	ZINC001372427920	967985897	/nfs/dbraw/zinc/98/58/97/967985897.db2.gz	JNIYXISWPNBOBD-JTQLQIEISA-N	-1	0	303.322	0.062	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC001605438839	1169921131	/nfs/dbraw/zinc/92/11/31/1169921131.db2.gz	REIFGENQZBPKIU-NSHDSACASA-N	-1	0	303.384	0.796	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)s1	ZINC001448353181	1013882370	/nfs/dbraw/zinc/88/23/70/1013882370.db2.gz	SCUZXNFRDHXYFM-UHFFFAOYSA-N	-1	0	304.335	0.257	20	30		DCEDRM
C#CCN(CC(=O)[O-])Cc1cc(C(=O)OC(C)(C)C)nn1C	ZINC001573321397	969807605	/nfs/dbraw/zinc/80/76/05/969807605.db2.gz	WXJNGTKHRSSJGV-UHFFFAOYSA-N	-1	0	307.350	0.895	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)C(=O)OC	ZINC001448495237	1013931842	/nfs/dbraw/zinc/93/18/42/1013931842.db2.gz	MJZXPLDKFITEBJ-NSHDSACASA-N	-1	0	319.317	0.441	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1c(C)csc1C(=O)[O-]	ZINC000321099721	970743561	/nfs/dbraw/zinc/74/35/61/970743561.db2.gz	MBTNQYXTUJDJNT-MRVPVSSYSA-N	-1	0	305.377	0.970	20	30		DCEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC001603320419	972635426	/nfs/dbraw/zinc/63/54/26/972635426.db2.gz	FSRJUWXTWCOSHY-HNNXBMFYSA-N	-1	0	302.334	0.982	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001605102245	972758929	/nfs/dbraw/zinc/75/89/29/972758929.db2.gz	QMIVIFPBRQUFLG-SNVBAGLBSA-N	-1	0	303.274	0.104	20	30		DCEDRM
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C[C@H]1C(=O)[O-]	ZINC001603431973	973182415	/nfs/dbraw/zinc/18/24/15/973182415.db2.gz	AGZKAYPOCABTEE-GXSJLCMTSA-N	-1	0	309.347	0.685	20	30		DCEDRM
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1C(=O)[O-]	ZINC001603431976	973182474	/nfs/dbraw/zinc/18/24/74/973182474.db2.gz	AGZKAYPOCABTEE-ONGXEEELSA-N	-1	0	309.347	0.685	20	30		DCEDRM
Cc1cccc(C)c1Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001605335796	973221837	/nfs/dbraw/zinc/22/18/37/973221837.db2.gz	OVBCULDXUWZETH-UHFFFAOYSA-N	-1	0	313.313	0.631	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCC(=O)N(CC#N)c1ccccc1	ZINC001604461267	973303626	/nfs/dbraw/zinc/30/36/26/973303626.db2.gz	GUGHAUMLANAKRQ-OAHLLOKOSA-N	-1	0	320.301	0.576	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(C#N)n2)C1	ZINC001604533397	973491649	/nfs/dbraw/zinc/49/16/49/973491649.db2.gz	HHUBXUWYAFHOSD-AWEZNQCLSA-N	-1	0	304.306	0.908	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)s1	ZINC000401979430	973588575	/nfs/dbraw/zinc/58/85/75/973588575.db2.gz	ZRWRQJVZHFIFIF-JGVFFNPUSA-N	-1	0	316.360	0.076	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)s1	ZINC000401979433	973589018	/nfs/dbraw/zinc/58/90/18/973589018.db2.gz	ZRWRQJVZHFIFIF-YUMQZZPRSA-N	-1	0	316.360	0.076	20	30		DCEDRM
Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)C#CC3CC3)C2)cn1	ZINC001605484071	973607515	/nfs/dbraw/zinc/60/75/15/973607515.db2.gz	SLGZYUMBKDQDPP-QWHCGFSZSA-N	-1	0	301.346	0.850	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2ccc(C#N)c(O)c2)CCO1	ZINC001604558945	973612189	/nfs/dbraw/zinc/61/21/89/973612189.db2.gz	ZUSJUWHTPATUBP-HNNXBMFYSA-N	-1	0	320.301	0.206	20	30		DCEDRM
N#Cc1cc(CS(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cs1	ZINC001605592077	973893618	/nfs/dbraw/zinc/89/36/18/973893618.db2.gz	SFXFITYJUJWRPI-VIFPVBQESA-N	-1	0	300.361	0.856	20	30		DCEDRM
N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001605622955	973946406	/nfs/dbraw/zinc/94/64/06/973946406.db2.gz	KWTZXPHPSMUQLN-CHWSQXEVSA-N	-1	0	314.345	0.713	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC001592222544	977408181	/nfs/dbraw/zinc/40/81/81/977408181.db2.gz	YDWZOZQMNIEDEU-WDEREUQCSA-N	-1	0	303.384	0.794	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001588369173	983311669	/nfs/dbraw/zinc/31/16/69/983311669.db2.gz	DNUZSACHTYPXDY-SECBINFHSA-N	-1	0	304.302	0.860	20	30		DCEDRM
C#CC1(O)CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)CC1	ZINC001588379591	983364813	/nfs/dbraw/zinc/36/48/13/983364813.db2.gz	NACSWRWRZQVYJD-UHFFFAOYSA-N	-1	0	303.318	0.178	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1	ZINC001588382195	983369186	/nfs/dbraw/zinc/36/91/86/983369186.db2.gz	JLHRZTGAPADLCP-ZDUSSCGKSA-N	-1	0	320.389	0.962	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588382241	983369676	/nfs/dbraw/zinc/36/96/76/983369676.db2.gz	KUFAYJYKSQTNFG-RWMBFGLXSA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC	ZINC001588393818	983400313	/nfs/dbraw/zinc/40/03/13/983400313.db2.gz	KMJWASDZSBSHAL-JTQLQIEISA-N	-1	0	313.331	0.056	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@]1(C)Oc2ccccc2NC1=O)C(=O)[O-]	ZINC001588399461	983415804	/nfs/dbraw/zinc/41/58/04/983415804.db2.gz	UTCJYNNKZXFVNV-MEBBXXQBSA-N	-1	0	302.286	0.369	20	30		DCEDRM
C#CCC1(C(=O)N(C)CCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001588428295	983461016	/nfs/dbraw/zinc/46/10/16/983461016.db2.gz	JHZJBINKMXIFIX-QWHCGFSZSA-N	-1	0	320.389	0.865	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1	ZINC001588432009	983466815	/nfs/dbraw/zinc/46/68/15/983466815.db2.gz	UTGCWOZGZOYSIK-YPMHNXCESA-N	-1	0	304.346	0.538	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)CC(=O)[O-])C1	ZINC001588432103	983467562	/nfs/dbraw/zinc/46/75/62/983467562.db2.gz	YFJZFZRWXHUQAB-GFCCVEGCSA-N	-1	0	308.378	0.865	20	30		DCEDRM
C#CCN(C(=O)c1cccc(C(=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1	ZINC001588461272	983489389	/nfs/dbraw/zinc/48/93/89/983489389.db2.gz	KCJJNXKNWGAATO-SNVBAGLBSA-N	-1	0	322.342	0.042	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(OC)cc1C(=O)[O-]	ZINC001588466194	983498574	/nfs/dbraw/zinc/49/85/74/983498574.db2.gz	ZFVSPDXDVCXUHS-UHFFFAOYSA-N	-1	0	308.315	0.541	20	30		DCEDRM
C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccn2)C1	ZINC001588477578	983516896	/nfs/dbraw/zinc/51/68/96/983516896.db2.gz	VBVPFGVOJFQLOJ-GFCCVEGCSA-N	-1	0	323.374	0.156	20	30		DCEDRM
C#CCNCC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-]	ZINC001588485350	983524989	/nfs/dbraw/zinc/52/49/89/983524989.db2.gz	MDFZDGRDZZJOSS-UHFFFAOYSA-N	-1	0	317.345	0.383	20	30		DCEDRM
C#CCOCCC(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1	ZINC001588489456	983527738	/nfs/dbraw/zinc/52/77/38/983527738.db2.gz	AHUGGDRNDZQDKO-UHFFFAOYSA-N	-1	0	318.333	0.275	20	30		DCEDRM
C#Cc1cncc(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])c1	ZINC001588528739	983577748	/nfs/dbraw/zinc/57/77/48/983577748.db2.gz	GKXRJECUGAAPQG-LBPRGKRZSA-N	-1	0	301.327	0.945	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001588529228	983580260	/nfs/dbraw/zinc/58/02/60/983580260.db2.gz	TZPSWIVUHZJEQD-QWRGUYRKSA-N	-1	0	302.330	0.304	20	30		DCEDRM
C#Cc1cncc(C(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])c1	ZINC001588529255	983580619	/nfs/dbraw/zinc/58/06/19/983580619.db2.gz	UQGPLOZZVCYRTK-YPMHNXCESA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588537803	983602223	/nfs/dbraw/zinc/60/22/23/983602223.db2.gz	YPCZGSDGDOYKCM-SNVBAGLBSA-N	-1	0	300.336	0.385	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)OC	ZINC001588555937	983638313	/nfs/dbraw/zinc/63/83/13/983638313.db2.gz	XJZWNAVADUSMFO-SNVBAGLBSA-N	-1	0	316.335	0.499	20	30		DCEDRM
C=C(C)Cn1c(CCO)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588597894	983680572	/nfs/dbraw/zinc/68/05/72/983680572.db2.gz	MYZGDHKESXOCQW-AWEZNQCLSA-N	-1	0	310.354	0.069	20	30		DCEDRM
C=C(C)Cn1c(C[C@H](C)O)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588598093	983681561	/nfs/dbraw/zinc/68/15/61/983681561.db2.gz	QVWQQHVGXMUYKH-HZMBPMFUSA-N	-1	0	312.345	0.781	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588599556	983690720	/nfs/dbraw/zinc/69/07/20/983690720.db2.gz	WRULIGYWGNIDCX-WBIUFABUSA-N	-1	0	308.334	0.800	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O	ZINC001588624377	983731788	/nfs/dbraw/zinc/73/17/88/983731788.db2.gz	GZNSGKQYPWSHQL-MEBBXXQBSA-N	-1	0	323.349	0.244	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1	ZINC001588673085	983828473	/nfs/dbraw/zinc/82/84/73/983828473.db2.gz	ICUMFGZVJNEOQF-SNVBAGLBSA-N	-1	0	322.365	0.088	20	30		DCEDRM
C=CC(C)(C)CCn1nnnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001588676902	983832042	/nfs/dbraw/zinc/83/20/42/983832042.db2.gz	JMWAWDRYHIUWCY-LLVKDONJSA-N	-1	0	309.370	0.955	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@](OC)(C(=O)[O-])C2)n1CC1CC1	ZINC001588706259	983930202	/nfs/dbraw/zinc/93/02/02/983930202.db2.gz	XFQSPZGWVTWATE-IAQYHMDHSA-N	-1	0	322.365	0.587	20	30		DCEDRM
C=C[C@H](OC(=O)c1ccccc1OCC(=O)N(C)C)C(=O)[O-]	ZINC001588712732	983946003	/nfs/dbraw/zinc/94/60/03/983946003.db2.gz	NBGPFXMENNRQAD-NSHDSACASA-N	-1	0	307.302	0.950	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001588777530	984156457	/nfs/dbraw/zinc/15/64/57/984156457.db2.gz	CLRAZTIGLAJXED-SECBINFHSA-N	-1	0	308.338	0.976	20	30		DCEDRM
C=CCCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC001588801701	984247074	/nfs/dbraw/zinc/24/70/74/984247074.db2.gz	VGWOKVUIXPABEM-ZDUSSCGKSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001588810386	984266846	/nfs/dbraw/zinc/26/68/46/984266846.db2.gz	MFKDEQDXLYPJRM-LBPRGKRZSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCCn1cc(COC(=O)Cn2cc(C(=O)[O-])cn2)nn1	ZINC001588819732	984278624	/nfs/dbraw/zinc/27/86/24/984278624.db2.gz	AXYIUIHVNGZFHH-UHFFFAOYSA-N	-1	0	305.294	0.492	20	30		DCEDRM
C=CCCn1cc(CN2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)nn1	ZINC001588820076	984281500	/nfs/dbraw/zinc/28/15/00/984281500.db2.gz	PLKFLINTASALEL-NEPJUHHUSA-N	-1	0	308.338	0.160	20	30		DCEDRM
C=CCN(CC(=O)OCC)C(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001588824027	984295590	/nfs/dbraw/zinc/29/55/90/984295590.db2.gz	LICRUVREDGNCOR-UHFFFAOYSA-N	-1	0	323.349	0.939	20	30		DCEDRM
C=CCN1CCC(NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001588838025	984334598	/nfs/dbraw/zinc/33/45/98/984334598.db2.gz	AKLFWLZVZLCNIJ-YPMHNXCESA-N	-1	0	316.423	0.810	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1	ZINC001588849645	984373276	/nfs/dbraw/zinc/37/32/76/984373276.db2.gz	CQDLPXCPFSPJLD-RYUDHWBXSA-N	-1	0	308.334	0.080	20	30		DCEDRM
C=CCOCC(=O)NCC1=CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588851102	984383262	/nfs/dbraw/zinc/38/32/62/984383262.db2.gz	UGKOYYAYCCFXHB-STQMWFEESA-N	-1	0	322.361	0.185	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCCN(C)C(=O)OC)C(=O)[O-]	ZINC001588853981	984388134	/nfs/dbraw/zinc/38/81/34/984388134.db2.gz	NBNBQPUNPANOQZ-SNVBAGLBSA-N	-1	0	302.327	0.237	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCC(=O)c1ccccn1)C(=O)[O-]	ZINC001588854217	984389295	/nfs/dbraw/zinc/38/92/95/984389295.db2.gz	RFWFIDLZPYMPSU-LBPRGKRZSA-N	-1	0	306.318	0.817	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12)C(=O)[O-]	ZINC001588855938	984396098	/nfs/dbraw/zinc/39/60/98/984396098.db2.gz	RSJTULJOCUEAOW-NDBYEHHHSA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c(C)oc2nc[nH]c(=O)c21)C(=O)[O-]	ZINC001588856918	984402342	/nfs/dbraw/zinc/40/23/42/984402342.db2.gz	SCFQDGOBCZBZQG-MRVPVSSYSA-N	-1	0	321.289	0.622	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(-c2cn[nH]c2)cn1)C(=O)[O-]	ZINC001588859848	984408644	/nfs/dbraw/zinc/40/86/44/984408644.db2.gz	YUNWZTBJWPXKJS-ZDUSSCGKSA-N	-1	0	316.317	0.857	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc([S@@](C)=O)c1)C(=O)[O-]	ZINC001588861060	984414150	/nfs/dbraw/zinc/41/41/50/984414150.db2.gz	AESGCJQYGXYFRF-XUSGNXJCSA-N	-1	0	311.359	0.810	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C(N)=S)cc1)C(=O)[O-]	ZINC001588861843	984416906	/nfs/dbraw/zinc/41/69/06/984416906.db2.gz	NDRWUNRTTBYIDS-LLVKDONJSA-N	-1	0	308.359	0.706	20	30		DCEDRM
C=CCOCc1nnc(N2CCO[C@H](CC(=O)[O-])C2)n1CC=C	ZINC001588868629	984434238	/nfs/dbraw/zinc/43/42/38/984434238.db2.gz	NJQVICTXXCQGTQ-GFCCVEGCSA-N	-1	0	322.365	0.847	20	30		DCEDRM
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])c1	ZINC001588872704	984441394	/nfs/dbraw/zinc/44/13/94/984441394.db2.gz	CTCAFBOCRBFKFK-NSHDSACASA-N	-1	0	322.317	0.142	20	30		DCEDRM
C=CCn1c(-c2cnccn2)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588889708	984481210	/nfs/dbraw/zinc/48/12/10/984481210.db2.gz	BAQUAYVYVFPYFJ-CQSZACIVSA-N	-1	0	318.312	0.924	20	30		DCEDRM
C=CCn1c(-c2cc[nH]n2)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588889729	984481280	/nfs/dbraw/zinc/48/12/80/984481280.db2.gz	BNTPEVSOFVCQRQ-AWEZNQCLSA-N	-1	0	318.337	0.534	20	30		DCEDRM
C=CCn1c([C@H](C)CO)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588895654	984494983	/nfs/dbraw/zinc/49/49/83/984494983.db2.gz	KLWIWQXPYHINDU-VWYCJHECSA-N	-1	0	310.354	0.238	20	30		DCEDRM
C=CCn1c([C@H]2CC=NO2)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588897667	984512215	/nfs/dbraw/zinc/51/22/15/984512215.db2.gz	SVIZCKAJDVIVOA-WDEREUQCSA-N	-1	0	321.337	0.591	20	30		DCEDRM
C=CCn1c(CCC)nnc1N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588897918	984514500	/nfs/dbraw/zinc/51/45/00/984514500.db2.gz	PGIGQSCATCXMFA-GHMZBOCLSA-N	-1	0	322.365	0.727	20	30		DCEDRM
C=CCn1c(C[C@H](O)C2CC2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588898345	984518047	/nfs/dbraw/zinc/51/80/47/984518047.db2.gz	WFPHWHHSHIZLKK-NEPJUHHUSA-N	-1	0	306.366	0.688	20	30		DCEDRM
C=CCn1c(N2CC[C@](OC)(C(=O)[O-])C2)nnc1C(C)(C)O	ZINC001588903957	984525538	/nfs/dbraw/zinc/52/55/38/984525538.db2.gz	BLGVHNPKGJZDMQ-CQSZACIVSA-N	-1	0	310.354	0.371	20	30		DCEDRM
C=CCn1c(N2CC[C@@](F)(C(=O)[O-])C2)nnc1C1(O)CCC1	ZINC001588904596	984531378	/nfs/dbraw/zinc/53/13/78/984531378.db2.gz	XAAAGLKSYHYSNE-ZDUSSCGKSA-N	-1	0	310.329	0.839	20	30		DCEDRM
C=CCn1c(N2CCO[C@@H](CC(=O)[O-])C2)nnc1[C@](C)(O)CC	ZINC001588905128	984535882	/nfs/dbraw/zinc/53/58/82/984535882.db2.gz	QLFNZEGRKYVWLI-XHDPSFHLSA-N	-1	0	324.381	0.762	20	30		DCEDRM
C=CCn1cnn(CN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c1=S	ZINC001588909371	984543482	/nfs/dbraw/zinc/54/34/82/984543482.db2.gz	RFYJRRREXWUMDB-ZDUSSCGKSA-N	-1	0	323.378	0.863	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)OCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	ZINC001588916653	984562362	/nfs/dbraw/zinc/56/23/62/984562362.db2.gz	XRUBFZLOESMSFD-NOHGZBONSA-N	-1	0	313.350	0.736	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588918027	984569193	/nfs/dbraw/zinc/56/91/93/984569193.db2.gz	QWXMXSOPTTUOCP-WBIUFABUSA-N	-1	0	323.349	0.593	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001588925088	984585087	/nfs/dbraw/zinc/58/50/87/984585087.db2.gz	KVWNVNOCLOCNIN-JTQLQIEISA-N	-1	0	315.322	0.577	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC001588925655	984588236	/nfs/dbraw/zinc/58/82/36/984588236.db2.gz	UOMXWWDHTFBPKY-LLVKDONJSA-N	-1	0	311.359	0.746	20	30		DCEDRM
C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)c1cc(C#N)c[nH]1	ZINC001599890657	984690040	/nfs/dbraw/zinc/69/00/40/984690040.db2.gz	AKXDKTXGFISGMR-MRVPVSSYSA-N	-1	0	314.305	0.605	20	30		DCEDRM
CCO[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)[C@@H]1CCOC1	ZINC001596760355	985138687	/nfs/dbraw/zinc/13/86/87/985138687.db2.gz	BFEVRDQDHYQLHU-NEPJUHHUSA-N	-1	0	310.350	0.645	20	30		DCEDRM
Cc1[nH]c(C(=O)CON=C(N)c2ccncn2)c(C)c1C(=O)[O-]	ZINC001599948084	985562394	/nfs/dbraw/zinc/56/23/94/985562394.db2.gz	UEDPNFDAKCRQRE-UHFFFAOYSA-N	-1	0	317.305	0.640	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC001599974536	986067189	/nfs/dbraw/zinc/06/71/89/986067189.db2.gz	FPVWJOPGQDSIJS-JQWIXIFHSA-N	-1	0	319.292	0.829	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)c1c[nH]c(C(=O)[O-])c1)C1CC1	ZINC001589324183	986154539	/nfs/dbraw/zinc/15/45/39/986154539.db2.gz	XBCDCBSFDKXIDY-AWEZNQCLSA-N	-1	0	305.290	0.678	20	30		DCEDRM
C[C@@H](C(=O)N(CC#N)CCC(=O)[O-])N1CSCCSC1	ZINC001589341951	986260284	/nfs/dbraw/zinc/26/02/84/986260284.db2.gz	RJORJUJLSIVZDD-JTQLQIEISA-N	-1	0	317.436	0.899	20	30		DCEDRM
C[C@H](C(=O)N(C)c1nc(CC(=O)[O-])cs1)n1cnc(C#N)n1	ZINC001589342135	986264216	/nfs/dbraw/zinc/26/42/16/986264216.db2.gz	VXHZSKQNEHNYGO-SSDOTTSWSA-N	-1	0	320.334	0.457	20	30		DCEDRM
C[C@@H](C(=O)N[C@H](C(=O)[O-])C1CCCCC1)n1cnc(C#N)n1	ZINC001589374088	986426247	/nfs/dbraw/zinc/42/62/47/986426247.db2.gz	JAOATZKBDWAZLO-CABZTGNLSA-N	-1	0	305.338	0.860	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001532185747	1015299515	/nfs/dbraw/zinc/29/95/15/1015299515.db2.gz	PBSUAOBXWWFBON-SNVBAGLBSA-N	-1	0	306.366	0.709	20	30		DCEDRM
C[C@@H]1CCCC[C@]1(C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001450897256	1015433529	/nfs/dbraw/zinc/43/35/29/1015433529.db2.gz	FYBZWHDPFMVDOJ-BMIGLBTASA-N	-1	0	304.350	0.906	20	30		DCEDRM
CCc1nn(CN2CCC(C#N)(C(=O)[O-])CC2)c(=O)n1CC	ZINC001597723811	989013445	/nfs/dbraw/zinc/01/34/45/989013445.db2.gz	UHQQYMWDTGNMEQ-UHFFFAOYSA-N	-1	0	307.354	0.275	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001590615184	990287728	/nfs/dbraw/zinc/28/77/28/990287728.db2.gz	MWVAQCZMSQPFJB-NSHDSACASA-N	-1	0	321.377	0.756	20	30		DCEDRM
CC(C)(CCN1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(=O)[O-]	ZINC001590671347	990383068	/nfs/dbraw/zinc/38/30/68/990383068.db2.gz	VMAXVHPSTBNSCM-MFKMUULPSA-N	-1	0	300.380	0.357	20	30		DCEDRM
CC(C)(NS(=O)(=O)c1ccc(C#N)s1)[C@H](O)C(=O)[O-]	ZINC001590879303	990792336	/nfs/dbraw/zinc/79/23/36/990792336.db2.gz	WKAPSRXHZWILGL-MRVPVSSYSA-N	-1	0	304.349	0.122	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)CC1	ZINC001590953486	991020656	/nfs/dbraw/zinc/02/06/56/991020656.db2.gz	QCHPKNUZSPVLER-KGLIPLIRSA-N	-1	0	322.409	0.228	20	30		DCEDRM
CN(C)c1ccc(CNC(=O)CN(CC#N)CCC(=O)[O-])cc1	ZINC001598317794	991307611	/nfs/dbraw/zinc/30/76/11/991307611.db2.gz	LUDYXLWISBXDHA-UHFFFAOYSA-N	-1	0	318.377	0.669	20	30		DCEDRM
CN(CCC#N)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001598469241	991998896	/nfs/dbraw/zinc/99/88/96/991998896.db2.gz	YYPAEPJGEAIPPB-UHFFFAOYSA-N	-1	0	305.290	0.461	20	30		DCEDRM
CS(=O)(=O)c1cc(NC(=O)N2CC(C#N)C2)cc(C(=O)[O-])c1	ZINC001599765285	992175381	/nfs/dbraw/zinc/17/53/81/992175381.db2.gz	NWMFLOJZPWMLPW-UHFFFAOYSA-N	-1	0	323.330	0.776	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001598485935	992206624	/nfs/dbraw/zinc/20/66/24/992206624.db2.gz	YRAQMUJRGFWOMO-UHFFFAOYSA-N	-1	0	317.349	0.509	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001393754756	993225978	/nfs/dbraw/zinc/22/59/78/993225978.db2.gz	FVQCLSFZRGBPOJ-ZJUUUORDSA-N	-1	0	306.370	0.387	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C#N)n1C	ZINC001598768592	995861186	/nfs/dbraw/zinc/86/11/86/995861186.db2.gz	MGXDFOMOSLBJSC-CABZTGNLSA-N	-1	0	319.317	0.375	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(C#N)n1	ZINC001598772087	995892566	/nfs/dbraw/zinc/89/25/66/995892566.db2.gz	UEMOAWMOJLLPLP-CABZTGNLSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(C#N)ccn1	ZINC001598773103	995902455	/nfs/dbraw/zinc/90/24/55/995902455.db2.gz	YBHFIKDOSBMCQO-CMPLNLGQSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(Cc2ccncc2C#N)C1	ZINC001598774020	995911246	/nfs/dbraw/zinc/91/12/46/995911246.db2.gz	DUHBMGONLYXHIQ-WCQYABFASA-N	-1	0	303.318	0.791	20	30		DCEDRM
C[C@@]1(CCC(=O)[O-])NC(=O)N(CN2CCC(C)(C#N)CC2)C1=O	ZINC001593742961	996363809	/nfs/dbraw/zinc/36/38/09/996363809.db2.gz	JURCIKRBXGBSST-HNNXBMFYSA-N	-1	0	322.365	0.745	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC001598825909	996381816	/nfs/dbraw/zinc/38/18/16/996381816.db2.gz	GFUGKYWNSRDUIN-NXEZZACHSA-N	-1	0	319.273	0.776	20	30		DCEDRM
COC(=O)C[C@@H](NC(=O)/C=C\C(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC001598836691	996491193	/nfs/dbraw/zinc/49/11/93/996491193.db2.gz	GMSCODYIRNVUHV-QDZRJHCZSA-N	-1	0	319.313	0.866	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1cc(F)c(C#N)c(F)c1	ZINC001598860981	996674483	/nfs/dbraw/zinc/67/44/83/996674483.db2.gz	QHTOYXCKDOFPNJ-UHFFFAOYSA-N	-1	0	312.228	0.536	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(c2nnc([C@@H](C)CCC#N)n2C)C1	ZINC001599078564	996937896	/nfs/dbraw/zinc/93/78/96/996937896.db2.gz	SOVUCXFXKSKFBD-HZMBPMFUSA-N	-1	0	307.354	0.902	20	30		DCEDRM
COC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H](C)O1	ZINC001598898555	997128550	/nfs/dbraw/zinc/12/85/50/997128550.db2.gz	SFFHETHBFBEHBJ-SWHYSGLUSA-N	-1	0	318.329	0.946	20	30		DCEDRM
CO[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](C(=O)[O-])C1	ZINC001599127309	997876011	/nfs/dbraw/zinc/87/60/11/997876011.db2.gz	SHUVFMKJPDALKP-RYUDHWBXSA-N	-1	0	324.358	0.811	20	30		DCEDRM
COCCN1CCCN(c2ccc(C(=O)[O-])nc2C#N)CC1=O	ZINC001599240395	998029247	/nfs/dbraw/zinc/02/92/47/998029247.db2.gz	LDSWNVDLQDGQIX-UHFFFAOYSA-N	-1	0	318.333	0.337	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001599349629	998070674	/nfs/dbraw/zinc/07/06/74/998070674.db2.gz	YSZJNOXZXGMHDW-ZWNOBZJWSA-N	-1	0	304.302	0.786	20	30		DCEDRM
COc1ccc(CCS(=O)(=O)N(CC#N)CC(=O)[O-])cc1	ZINC001599556021	998092777	/nfs/dbraw/zinc/09/27/77/998092777.db2.gz	MOJWDFZZCJQCCH-UHFFFAOYSA-N	-1	0	312.347	0.478	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCc2ncccc2F)c(=O)[n-]c1=O	ZINC001467754425	1016196855	/nfs/dbraw/zinc/19/68/55/1016196855.db2.gz	HVPZLSCIDIMQQN-UHFFFAOYSA-N	-1	0	317.280	0.061	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1ccsc1C#N	ZINC001599150818	998294731	/nfs/dbraw/zinc/29/47/31/998294731.db2.gz	GKSMISLJAJRSSC-NSHDSACASA-N	-1	0	318.376	0.778	20	30		DCEDRM
COC(=O)c1ccc(/C=C/C(=O)N(CC#N)CCC(=O)[O-])o1	ZINC001598974627	998581647	/nfs/dbraw/zinc/58/16/47/998581647.db2.gz	UAXVJUKWMWQDRW-HWKANZROSA-N	-1	0	306.274	0.906	20	30		DCEDRM
CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599029107	999037675	/nfs/dbraw/zinc/03/76/75/999037675.db2.gz	BXDXYZGMPWFEBO-AWEZNQCLSA-N	-1	0	314.338	0.560	20	30		DCEDRM
CO[C@H](C)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001599040304	999112898	/nfs/dbraw/zinc/11/28/98/999112898.db2.gz	ULDWHBBBCSJGGH-RKDXNWHRSA-N	-1	0	312.347	0.958	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)c(Cl)n2)C1	ZINC001599073032	999346987	/nfs/dbraw/zinc/34/69/87/999346987.db2.gz	DBTQTQQVEWOTML-CYBMUJFWSA-N	-1	0	309.709	0.922	20	30		DCEDRM
C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)[C@H]1C	ZINC001594376214	999418907	/nfs/dbraw/zinc/41/89/07/999418907.db2.gz	FAGFTOLEGKSEHW-NEPJUHHUSA-N	-1	0	321.377	0.850	20	30		DCEDRM
CC1(C)SC[C@@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001469918915	1016372257	/nfs/dbraw/zinc/37/22/57/1016372257.db2.gz	KSFJAOKIWXONJR-VIFPVBQESA-N	-1	0	323.378	0.014	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](O)c1cncs1	ZINC001419580326	1001154601	/nfs/dbraw/zinc/15/46/01/1001154601.db2.gz	LNHAYBAGZJDSRN-VIFPVBQESA-N	-1	0	304.331	0.887	20	30		DCEDRM
Cc1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc(C)c1C#N	ZINC001420877270	1003073406	/nfs/dbraw/zinc/07/34/06/1003073406.db2.gz	WKECWSWQYFBVSV-UHFFFAOYSA-N	-1	0	319.346	0.949	20	30		DCEDRM
CC(C)c1noc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001421056495	1003274766	/nfs/dbraw/zinc/27/47/66/1003274766.db2.gz	SZVQSNATBPVOID-UHFFFAOYSA-N	-1	0	304.310	0.106	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@](C)(O)c2cccs2)c(C#N)c1=O	ZINC001472701233	1016846594	/nfs/dbraw/zinc/84/65/94/1016846594.db2.gz	JHKLKMJRYHSXAK-CYBMUJFWSA-N	-1	0	306.347	0.326	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCc3ccccc3[C@H]2CO)c(C#N)c1=O	ZINC001472784549	1016853731	/nfs/dbraw/zinc/85/37/31/1016853731.db2.gz	ILDFBMFMXNHVCE-CYBMUJFWSA-N	-1	0	312.329	0.041	20	30		DCEDRM
C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001473428841	1016932365	/nfs/dbraw/zinc/93/23/65/1016932365.db2.gz	GNBMRYONOUTUGW-BNMUBRSASA-N	-1	0	319.390	0.648	20	30		DCEDRM
N#CCCc1ccc(S(=O)(=O)NCc2nc(=O)o[n-]2)cc1	ZINC001414275227	1005272215	/nfs/dbraw/zinc/27/22/15/1005272215.db2.gz	NRLFDNHNSNBGPW-UHFFFAOYSA-N	-1	0	308.319	0.298	20	30		DCEDRM
Cc1nc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)sc1C	ZINC001417653627	1005861157	/nfs/dbraw/zinc/86/11/57/1005861157.db2.gz	UWTPJOJYHGCCGE-UHFFFAOYSA-N	-1	0	319.346	0.210	20	30		DCEDRM
C[C@@H](CCC1CC1)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417723678	1005876704	/nfs/dbraw/zinc/87/67/04/1005876704.db2.gz	VJFFLEPPGQPKFS-JTQLQIEISA-N	-1	0	304.350	0.906	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cncc(N3CCCC3=O)c2)[n-]c1C#N	ZINC001452533103	1006898319	/nfs/dbraw/zinc/89/83/19/1006898319.db2.gz	PHCLMTWCTPKUSL-UHFFFAOYSA-N	-1	0	321.300	0.927	20	30		DCEDRM
COCC1(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001453339005	1007417522	/nfs/dbraw/zinc/41/75/22/1007417522.db2.gz	UAVOJCNFIKRYFQ-UHFFFAOYSA-N	-1	0	320.349	0.286	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)Nc2ncc(CC(=O)[O-])s2)C1	ZINC001574240990	1163671843	/nfs/dbraw/zinc/67/18/43/1163671843.db2.gz	CYRMZWKUJMTXAJ-LBPRGKRZSA-N	-1	0	310.335	0.653	20	30		DCEDRM
CCOc1ccc(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)cc1	ZINC001421412043	1008543491	/nfs/dbraw/zinc/54/34/91/1008543491.db2.gz	YSUGLAGEESUVML-UHFFFAOYSA-N	-1	0	314.301	0.446	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2[nH]nc3ccccc32)c(=O)[n-]c1=O	ZINC001453842367	1008754597	/nfs/dbraw/zinc/75/45/97/1008754597.db2.gz	LQDSHPWQRSCBPA-UHFFFAOYSA-N	-1	0	324.300	0.127	20	30		DCEDRM
Cc1nc(C)c(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001433762326	1009156840	/nfs/dbraw/zinc/15/68/40/1009156840.db2.gz	WCFJRXQJRAOGQP-UHFFFAOYSA-N	-1	0	305.319	0.533	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1CCCCS1(=O)=O	ZINC001433848064	1009253771	/nfs/dbraw/zinc/25/37/71/1009253771.db2.gz	AVKCONYAQGJNPG-LLVKDONJSA-N	-1	0	323.374	0.664	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC001454945247	1009405840	/nfs/dbraw/zinc/40/58/40/1009405840.db2.gz	YCWKTQATYWPKNG-UHFFFAOYSA-N	-1	0	307.262	0.829	20	30		DCEDRM
N#Cc1cnc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)c(Cl)c1	ZINC001455132520	1009511416	/nfs/dbraw/zinc/51/14/16/1009511416.db2.gz	NAMCMQMCHGAARF-MRVPVSSYSA-N	-1	0	303.713	0.749	20	30		DCEDRM
COCC1(N(C)C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001455506205	1009778718	/nfs/dbraw/zinc/77/87/18/1009778718.db2.gz	QQTSAYZFANXXRY-UHFFFAOYSA-N	-1	0	320.349	0.238	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H]1C1OCCO1	ZINC001434402416	1009906700	/nfs/dbraw/zinc/90/67/00/1009906700.db2.gz	IHMOHQPPDAURGG-NSHDSACASA-N	-1	0	303.318	0.945	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](CN(C)C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001456089902	1010089711	/nfs/dbraw/zinc/08/97/11/1010089711.db2.gz	ABNVPXHNFOKJQL-MWLCHTKSSA-N	-1	0	319.365	0.504	20	30		DCEDRM
Cc1[n-]sc(=NC(=O)N2CCS(=O)(=O)CCO2)c1C#N	ZINC001434725732	1010204841	/nfs/dbraw/zinc/20/48/41/1010204841.db2.gz	ZXDFXRZLEGWNPQ-UHFFFAOYSA-N	-1	0	316.364	0.517	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC2Cc3ccccc3C2)c(=O)[n-]c1=O	ZINC001444068604	1010837129	/nfs/dbraw/zinc/83/71/29/1010837129.db2.gz	LRRASKYTTIOMJJ-UHFFFAOYSA-N	-1	0	324.340	0.352	20	30		DCEDRM
CO[C@@H]1CCC[C@@H]1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001457196212	1011608760	/nfs/dbraw/zinc/60/87/60/1011608760.db2.gz	DARVXUNLQVAMLK-NWDGAFQWSA-N	-1	0	318.333	0.019	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCOc3cc(O)ccc3C2)c(C#N)c1=O	ZINC001458372529	1012157950	/nfs/dbraw/zinc/15/79/50/1012157950.db2.gz	OJWFZAWMYOPMKI-UHFFFAOYSA-N	-1	0	314.301	0.050	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H]2C[C@H](C(=O)OC(C)(C)C)C2)c(C#N)c1=O	ZINC001458570870	1012219892	/nfs/dbraw/zinc/21/98/92/1012219892.db2.gz	JXFIQSRBFQMYSL-KYZUINATSA-N	-1	0	320.349	0.477	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2c(F)cc(O)cc2F)c(C#N)c1=O	ZINC001458649832	1012260764	/nfs/dbraw/zinc/26/07/64/1012260764.db2.gz	QYLLFLZGEDNWRL-UHFFFAOYSA-N	-1	0	322.271	0.584	20	30		DCEDRM
Cc1cc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)ccc1[N+](=O)[O-]	ZINC001559054922	1012404725	/nfs/dbraw/zinc/40/47/25/1012404725.db2.gz	OZVFSGJONSZXNR-UHFFFAOYSA-N	-1	0	302.246	0.954	20	30		DCEDRM
C[C@H](C[C@@H]1CCOC1)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001445987246	1012489605	/nfs/dbraw/zinc/48/96/05/1012489605.db2.gz	DCHWTMAECJCRLY-MNOVXSKESA-N	-1	0	320.349	0.142	20	30		DCEDRM
C#CCSCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC001543504198	1012518069	/nfs/dbraw/zinc/51/80/69/1012518069.db2.gz	HBEOTLSMTOBIPO-UHFFFAOYSA-N	-1	0	306.394	0.215	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@](C)(NC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001432588091	1012650052	/nfs/dbraw/zinc/65/00/52/1012650052.db2.gz	VLDAHKOTMFMRNZ-CLAHSXSESA-N	-1	0	305.338	0.304	20	30		DCEDRM
CCCC1(CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001478183768	1017325857	/nfs/dbraw/zinc/32/58/57/1017325857.db2.gz	CSXOTVWUWCTQGF-UHFFFAOYSA-N	-1	0	319.365	0.700	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCC[C@H](C)NC(=O)C#CC2CC2)c1[O-]	ZINC001510008237	1017504859	/nfs/dbraw/zinc/50/48/59/1017504859.db2.gz	JTDYJOAMOFYKAI-JTQLQIEISA-N	-1	0	318.377	0.852	20	30		DCEDRM
CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)Cc2cnoc2)n1	ZINC001479607542	1017600210	/nfs/dbraw/zinc/60/02/10/1017600210.db2.gz	TZPNYOBUXXJUFF-UHFFFAOYSA-N	-1	0	315.333	0.142	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001609672649	1171063101	/nfs/dbraw/zinc/06/31/01/1171063101.db2.gz	GMKYNUGMVCDYEE-JTQLQIEISA-N	-1	0	304.368	0.432	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000286579189	219064237	/nfs/dbraw/zinc/06/42/37/219064237.db2.gz	WDVVZEPVFKJRTA-QMMMGPOBSA-N	-1	0	315.293	0.657	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000263550952	238187518	/nfs/dbraw/zinc/18/75/18/238187518.db2.gz	KVZOPMNHHQVWPJ-ZYHUDNBSSA-N	-1	0	311.363	0.881	20	30		DCEDRM
Cn1c2cc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)ccc2[nH]c1=O	ZINC000161815507	291242923	/nfs/dbraw/zinc/24/29/23/291242923.db2.gz	CVRCXTHYBSICJU-UHFFFAOYSA-N	-1	0	307.273	0.585	20	30		DCEDRM
COCCN(C)S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N	ZINC000566308282	291292836	/nfs/dbraw/zinc/29/28/36/291292836.db2.gz	KKVZPYKBFZNPRD-UHFFFAOYSA-N	-1	0	301.372	0.571	20	30		DCEDRM
Cc1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)ccc1C#N	ZINC000566657172	291316960	/nfs/dbraw/zinc/31/69/60/291316960.db2.gz	ZROKAZNTEQGJCZ-YPMHNXCESA-N	-1	0	324.358	0.635	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)cs1	ZINC000275263017	212233363	/nfs/dbraw/zinc/23/33/63/212233363.db2.gz	JACUCPWUZRERJG-UHFFFAOYSA-N	-1	0	319.360	0.796	20	30		DCEDRM
C#CCN(C1CCCC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000491617824	533117888	/nfs/dbraw/zinc/11/78/88/533117888.db2.gz	AAOQQNONRHZSQN-UHFFFAOYSA-N	-1	0	311.363	0.534	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)CC1(C#N)CC1	ZINC000275138416	533347637	/nfs/dbraw/zinc/34/76/37/533347637.db2.gz	OYYBTQKCAJLDGY-NSHDSACASA-N	-1	0	323.374	0.990	20	30		DCEDRM
CCOC(=O)N1CCC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000026266602	395694317	/nfs/dbraw/zinc/69/43/17/395694317.db2.gz	TVIGZEURFISPRI-SECBINFHSA-N	-1	0	316.321	0.960	20	30		DCEDRM
COCCCn1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)n1	ZINC000116160690	395842064	/nfs/dbraw/zinc/84/20/64/395842064.db2.gz	NDQLPSGWWIUNHQ-UHFFFAOYSA-N	-1	0	321.362	0.987	20	30		DCEDRM
C=CCNc1ncc(C(=O)NCCCc2nc(=O)[n-][nH]2)s1	ZINC000129468352	395920675	/nfs/dbraw/zinc/92/06/75/395920675.db2.gz	WPWWCRXHFBINQV-UHFFFAOYSA-N	-1	0	308.367	0.515	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)c1	ZINC000131796986	395926067	/nfs/dbraw/zinc/92/60/67/395926067.db2.gz	YBCQXWIAADDQKX-UHFFFAOYSA-N	-1	0	310.331	0.470	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cn1	ZINC000275765661	395986216	/nfs/dbraw/zinc/98/62/16/395986216.db2.gz	SIFPCQNSDCQFBM-ZWKOPEQDSA-N	-1	0	321.358	0.827	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1	ZINC000262107258	396099565	/nfs/dbraw/zinc/09/95/65/396099565.db2.gz	JJBZTFKLMJIBKX-LBPRGKRZSA-N	-1	0	304.302	0.639	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)cc1	ZINC000262735490	396177339	/nfs/dbraw/zinc/17/73/39/396177339.db2.gz	ILWJCJYAKCWZFA-WFASDCNBSA-N	-1	0	318.329	0.933	20	30		DCEDRM
COCC[C@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594691449	396497425	/nfs/dbraw/zinc/49/74/25/396497425.db2.gz	TXSLUQRPLZBYNT-ZDUSSCGKSA-N	-1	0	305.334	0.890	20	30		DCEDRM
CCOC[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000291802419	396513159	/nfs/dbraw/zinc/51/31/59/396513159.db2.gz	BLZWFOZNSBABEW-LLVKDONJSA-N	-1	0	316.310	0.465	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000290663019	396469233	/nfs/dbraw/zinc/46/92/33/396469233.db2.gz	OBWAVCBNFORBMI-ZDUSSCGKSA-N	-1	0	309.347	0.829	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])ccc1F	ZINC000594574174	396488088	/nfs/dbraw/zinc/48/80/88/396488088.db2.gz	YRKQPZLNKIPKPF-JTQLQIEISA-N	-1	0	304.274	0.788	20	30		DCEDRM
N#CCCn1ncc2c1ncnc2N[C@@H]1C[C@@H](C(=O)[O-])C[C@H]1O	ZINC000595979299	396702035	/nfs/dbraw/zinc/70/20/35/396702035.db2.gz	SAYMSNPWXDDPPI-FBIMIBRVSA-N	-1	0	316.321	0.376	20	30		DCEDRM
N#Cc1cc2c(nc1N[C@@H]1C[C@H](C(=O)[O-])C[C@H]1O)CCOC2	ZINC000595977269	396702285	/nfs/dbraw/zinc/70/22/85/396702285.db2.gz	FRWRKILJVVGTQB-ZEGGKSINSA-N	-1	0	303.318	0.662	20	30		DCEDRM
COC(=O)c1ccc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)c(C#N)n1	ZINC000595981601	396702549	/nfs/dbraw/zinc/70/25/49/396702549.db2.gz	YGKAVVNHAOHMEX-NYRNMGCKSA-N	-1	0	305.290	0.376	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1F	ZINC000589963681	396732261	/nfs/dbraw/zinc/73/22/61/396732261.db2.gz	TUKJFLVKNHFVGB-UHFFFAOYSA-N	-1	0	310.310	0.687	20	30		DCEDRM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000321161809	396815798	/nfs/dbraw/zinc/81/57/98/396815798.db2.gz	WTYWPAXKYDNEKJ-MRVPVSSYSA-N	-1	0	320.392	0.535	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NCc1cccc(C(=O)[O-])c1	ZINC000591350132	396905424	/nfs/dbraw/zinc/90/54/24/396905424.db2.gz	VVIPBAXUHZTAFG-UHFFFAOYSA-N	-1	0	311.363	0.955	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC[C@@H]1C(=O)[O-]	ZINC000600797620	396943621	/nfs/dbraw/zinc/94/36/21/396943621.db2.gz	NMHIWIQDZHSILZ-BFVZDQMLSA-N	-1	0	311.313	0.020	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CC[C@H]1C(=O)[O-]	ZINC000600800150	396944062	/nfs/dbraw/zinc/94/40/62/396944062.db2.gz	ILCPDVQFVRQTOL-HSMVNMDESA-N	-1	0	321.377	0.708	20	30		DCEDRM
Cn1nccc1S(=O)(=O)[N-]c1nc2n(c1C#N)CCS2	ZINC000591648902	396965150	/nfs/dbraw/zinc/96/51/50/396965150.db2.gz	GJDARPQIVPAYMD-UHFFFAOYSA-N	-1	0	310.364	0.395	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CNC(=O)c1ccc(OC)cc1)C(=O)[O-]	ZINC000630319692	396984936	/nfs/dbraw/zinc/98/49/36/396984936.db2.gz	FYUFENKLIBSVGZ-CYBMUJFWSA-N	-1	0	320.345	0.961	20	30		DCEDRM
C[C@H]([C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-])C1CC1	ZINC000572569628	397072334	/nfs/dbraw/zinc/07/23/34/397072334.db2.gz	PZCPRDRZKNPVJK-QPUJVOFHSA-N	-1	0	309.347	0.731	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])c1cccc(C#N)c1	ZINC000592440473	397179815	/nfs/dbraw/zinc/17/98/15/397179815.db2.gz	PRKFZSHVIYIIPT-SNVBAGLBSA-N	-1	0	303.318	0.716	20	30		DCEDRM
CC(C)[C@H](C)N(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC000602080902	397295736	/nfs/dbraw/zinc/29/57/36/397295736.db2.gz	UHNBTUHWOJURIU-JTQLQIEISA-N	-1	0	304.350	0.856	20	30		DCEDRM
CC[C@H]1C[C@H](C)CN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602103303	397301120	/nfs/dbraw/zinc/30/11/20/397301120.db2.gz	AXFVKJDCCJGHDO-JQWIXIFHSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CC[C@@H]1[C@H](C)CCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602145339	397321598	/nfs/dbraw/zinc/32/15/98/397321598.db2.gz	UAPLXMPBTCPYMI-ZYHUDNBSSA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC3(CCC3)CC2)c(=O)[n-]c1=O	ZINC000602151414	397323642	/nfs/dbraw/zinc/32/36/42/397323642.db2.gz	FVZRBMJREXKXQE-UHFFFAOYSA-N	-1	0	302.334	0.613	20	30		DCEDRM
CC1(C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H]2CCC[C@@H]21	ZINC000602155766	397326398	/nfs/dbraw/zinc/32/63/98/397326398.db2.gz	RITXQFPXFNOAQS-NWDGAFQWSA-N	-1	0	316.361	0.858	20	30		DCEDRM
C=CCc1ccc(OCC(=O)NCc2nnn[n-]2)c(OC)c1	ZINC000599376609	397421884	/nfs/dbraw/zinc/42/18/84/397421884.db2.gz	BSPIDTOSYDSMGH-UHFFFAOYSA-N	-1	0	303.322	0.632	20	30		DCEDRM
CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1	ZINC000578446116	397437647	/nfs/dbraw/zinc/43/76/47/397437647.db2.gz	GFMLSLCPDODIBP-LLVKDONJSA-N	-1	0	317.411	0.899	20	30		DCEDRM
CCOC(=O)c1cnc(NC(=O)[C@H](C)n2cnc(C#N)n2)[n-]1	ZINC000593900882	397470799	/nfs/dbraw/zinc/47/07/99/397470799.db2.gz	IEGCLBOHHSMHHS-ZETCQYMHSA-N	-1	0	303.282	0.249	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCOC2=O)cc1	ZINC000495860416	397561666	/nfs/dbraw/zinc/56/16/66/397561666.db2.gz	ZPVQCZAOJLSMFC-UHFFFAOYSA-N	-1	0	322.342	0.726	20	30		DCEDRM
N#Cc1nc(NC(=O)CNC(=O)c2ccc(O)cc2)[n-]c1C#N	ZINC000608985156	397760139	/nfs/dbraw/zinc/76/01/39/397760139.db2.gz	RBCONJAGHSQQRG-UHFFFAOYSA-N	-1	0	310.273	0.227	20	30		DCEDRM
CCCNC(=O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124052489	158237115	/nfs/dbraw/zinc/23/71/15/158237115.db2.gz	YOHMWQFXAWAYJF-UHFFFAOYSA-N	-1	0	317.317	0.641	20	30		DCEDRM
C[C@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000168600812	158372548	/nfs/dbraw/zinc/37/25/48/158372548.db2.gz	UICPHHHNLLXSPS-WKEGUHRASA-N	-1	0	318.738	0.324	20	30		DCEDRM
COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c([N+](=O)[O-])c1	ZINC000317424382	159004848	/nfs/dbraw/zinc/00/48/48/159004848.db2.gz	KVEVMPYYDIZGDW-UHFFFAOYSA-N	-1	0	323.290	0.999	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC(O)(CC#N)C1	ZINC000332032535	415214329	/nfs/dbraw/zinc/21/43/29/415214329.db2.gz	WGDCHFWPEPHSET-UHFFFAOYSA-N	-1	0	309.347	0.159	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)OC)o1	ZINC000275245975	415373057	/nfs/dbraw/zinc/37/30/57/415373057.db2.gz	HHPYICWIEGSDSA-UHFFFAOYSA-N	-1	0	303.292	0.328	20	30		DCEDRM
C[C@@H]1CCC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)nc1	ZINC000275207968	415373370	/nfs/dbraw/zinc/37/33/70/415373370.db2.gz	ZODZIESSWFKYFN-BXKDBHETSA-N	-1	0	309.347	0.970	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC000343551944	415635122	/nfs/dbraw/zinc/63/51/22/415635122.db2.gz	IBLIUAMHQGATKO-SNVBAGLBSA-N	-1	0	315.333	0.898	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CC(C(=O)OCC)=NN1c1ccccc1	ZINC000291307705	415829566	/nfs/dbraw/zinc/82/95/66/415829566.db2.gz	RJBLAPIEXHLGTM-AWEZNQCLSA-N	-1	0	315.329	0.865	20	30		DCEDRM
C=CCN1C(=O)c2ccc(C(=O)N(C)CC(=O)[O-])cc2C1=O	ZINC000345210919	416061336	/nfs/dbraw/zinc/06/13/36/416061336.db2.gz	MLNSTZQLMBPFSY-UHFFFAOYSA-N	-1	0	302.286	0.625	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)cn1	ZINC000357516967	416091469	/nfs/dbraw/zinc/09/14/69/416091469.db2.gz	JTCSIJDCRDWVIJ-UHFFFAOYSA-N	-1	0	314.326	0.997	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)Nc2ccn(CCC#N)n2)[C@H](C)CO1	ZINC000340962697	416200210	/nfs/dbraw/zinc/20/02/10/416200210.db2.gz	QHIWKOURVUNSHP-GHMZBOCLSA-N	-1	0	313.383	0.563	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cs1	ZINC000358533486	416252231	/nfs/dbraw/zinc/25/22/31/416252231.db2.gz	XZXRIVATGMLFJQ-UHFFFAOYSA-N	-1	0	312.332	0.930	20	30		DCEDRM
CSc1nc(=NC(=O)NC[C@@H]2CCS(=O)(=O)C2)s[n-]1	ZINC000331039685	416253653	/nfs/dbraw/zinc/25/36/53/416253653.db2.gz	CXNMLOJDPNXNNN-LURJTMIESA-N	-1	0	322.437	0.443	20	30		DCEDRM
CS(=O)(=O)[N-]c1nnc(NC(=O)c2c[nH]c(C#N)c2)s1	ZINC000352226912	416308280	/nfs/dbraw/zinc/30/82/80/416308280.db2.gz	XTBJWALFRWBTSN-UHFFFAOYSA-N	-1	0	312.336	0.362	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C	ZINC000263214206	416337479	/nfs/dbraw/zinc/33/74/79/416337479.db2.gz	ZOHZYKWOYWALJT-GHMZBOCLSA-N	-1	0	303.384	0.652	20	30		DCEDRM
Cn1nncc1S(=O)(=O)[N-]c1ncccc1OCCCC#N	ZINC000225606628	416327802	/nfs/dbraw/zinc/32/78/02/416327802.db2.gz	SGIUBPJVMRANEE-UHFFFAOYSA-N	-1	0	322.350	0.693	20	30		DCEDRM
CC[C@@](COC)([N-]S(=O)(=O)CC(C)(C)CC#N)C(=O)OC	ZINC000416515885	416373417	/nfs/dbraw/zinc/37/34/17/416373417.db2.gz	BWNWFFMAHBDNGN-ZDUSSCGKSA-N	-1	0	320.411	0.814	20	30		DCEDRM
COCc1n[n-]c(S(=O)(=O)Cc2ccc(OC)c(C#N)c2)n1	ZINC000533007064	416467595	/nfs/dbraw/zinc/46/75/95/416467595.db2.gz	ALQGNVCNLJXFCU-UHFFFAOYSA-N	-1	0	322.346	0.805	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000491494051	416600994	/nfs/dbraw/zinc/60/09/94/416600994.db2.gz	AQZSNUTZYYWWNV-UWVGGRQHSA-N	-1	0	306.284	0.550	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)C[C@@H](O)COc1ccccc1C#N	ZINC000599440393	416613236	/nfs/dbraw/zinc/61/32/36/416613236.db2.gz	RKYAQAYAYGHMEW-LLVKDONJSA-N	-1	0	304.306	0.519	20	30		DCEDRM
N#Cc1ccnc(N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1Cl	ZINC000424373907	416638849	/nfs/dbraw/zinc/63/88/49/416638849.db2.gz	KELQYIBIAZOZCH-ZETCQYMHSA-N	-1	0	320.696	0.377	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CC(O)(CC#N)C2)c1	ZINC000424795050	416669246	/nfs/dbraw/zinc/66/92/46/416669246.db2.gz	OZWGEYNXOZPBKE-OAQYLSRUSA-N	-1	0	308.359	0.290	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000563610357	416884163	/nfs/dbraw/zinc/88/41/63/416884163.db2.gz	VUAUBULTMTZEMT-MNOVXSKESA-N	-1	0	303.384	0.652	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccnc3ncnn32)cc1F	ZINC000427766997	416844448	/nfs/dbraw/zinc/84/44/48/416844448.db2.gz	OWZKXMBBZDYYBS-UHFFFAOYSA-N	-1	0	318.293	0.936	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCC1(CC(=O)[O-])CCC1	ZINC000519604161	416924438	/nfs/dbraw/zinc/92/44/38/416924438.db2.gz	LRUMWVFRJPYHFG-SNVBAGLBSA-N	-1	0	303.384	0.557	20	30		DCEDRM
C=CC(C)(C)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000451807454	417401823	/nfs/dbraw/zinc/40/18/23/417401823.db2.gz	BIAHCCWHNMAJPY-UHFFFAOYSA-N	-1	0	324.362	0.927	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2c(C)onc2N)nn1CCC#N	ZINC000570636553	417373697	/nfs/dbraw/zinc/37/36/97/417373697.db2.gz	UMMZDCDLFNKRKV-UHFFFAOYSA-N	-1	0	310.339	0.785	20	30		DCEDRM
C[C@H]1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@H]1C(=O)[O-]	ZINC000574813044	417488222	/nfs/dbraw/zinc/48/82/22/417488222.db2.gz	NPTKSKPWEVKBPY-WDEREUQCSA-N	-1	0	305.338	1.371	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCCCn1nc(C)cc1C)C(=O)[O-]	ZINC000573516648	417472198	/nfs/dbraw/zinc/47/21/98/417472198.db2.gz	HOIDAMWIDOTJKW-CYBMUJFWSA-N	-1	0	324.381	0.845	20	30		DCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000573808158	417475920	/nfs/dbraw/zinc/47/59/20/417475920.db2.gz	LSBDRMDXPWGKPI-ZETCQYMHSA-N	-1	0	313.291	0.731	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)Cc1ccccc1F)C(=O)[O-]	ZINC000575178163	417518648	/nfs/dbraw/zinc/51/86/48/417518648.db2.gz	LZTBFAAMLYSEOW-LBPRGKRZSA-N	-1	0	317.338	0.901	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])nc1	ZINC000576059595	417575617	/nfs/dbraw/zinc/57/56/17/417575617.db2.gz	HOUNVSPNPOMLSE-UHFFFAOYSA-N	-1	0	318.314	0.559	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C)nc2c1cnn2C)C(=O)[O-]	ZINC000455910441	417618670	/nfs/dbraw/zinc/61/86/70/417618670.db2.gz	PULSNCBKFZKIOX-GFCCVEGCSA-N	-1	0	318.333	0.662	20	30		DCEDRM
C=CCOCCCNC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000635519122	417686924	/nfs/dbraw/zinc/68/69/24/417686924.db2.gz	KROXCLYVXCWBSQ-AWEZNQCLSA-N	-1	0	300.355	0.712	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000456781497	417664139	/nfs/dbraw/zinc/66/41/39/417664139.db2.gz	SPXUNESBBZEHQZ-SECBINFHSA-N	-1	0	318.333	0.801	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000646162909	417792414	/nfs/dbraw/zinc/79/24/14/417792414.db2.gz	LNQDGGWYVIIUDR-RYUDHWBXSA-N	-1	0	312.366	0.758	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000647505268	418016930	/nfs/dbraw/zinc/01/69/30/418016930.db2.gz	OBOOABNVAHXOSL-RYUDHWBXSA-N	-1	0	312.366	0.217	20	30		DCEDRM
CC#CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000656020374	418317930	/nfs/dbraw/zinc/31/79/30/418317930.db2.gz	RQRVLMCUNLAEID-SDDRHHMPSA-N	-1	0	308.378	0.768	20	30		DCEDRM
Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000354797677	261272532	/nfs/dbraw/zinc/27/25/32/261272532.db2.gz	SQSWUCAXTHRTOO-UHFFFAOYSA-N	-1	0	314.265	0.595	20	30		DCEDRM
N#Cc1nc(NC(=O)CN2Cc3ccccc3C2=O)[n-]c1C#N	ZINC000358286859	261655700	/nfs/dbraw/zinc/65/57/00/261655700.db2.gz	LGQBIWGIBJPLFE-UHFFFAOYSA-N	-1	0	306.285	0.748	20	30		DCEDRM
CCS[C@@H](C)c1noc(Cn2c(=O)[n-]cc(C#N)c2=O)n1	ZINC000517566146	267180335	/nfs/dbraw/zinc/18/03/35/267180335.db2.gz	OJULHSXDBXETCX-ZETCQYMHSA-N	-1	0	307.335	0.654	20	30		DCEDRM
N#Cc1ccc(C[C@H](C#N)C(=O)NC2(c3nnn[n-]3)CC2)cc1	ZINC000352038934	268090035	/nfs/dbraw/zinc/09/00/35/268090035.db2.gz	NQINUPCQWPEEEE-GFCCVEGCSA-N	-1	0	307.317	0.559	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-]	ZINC000275137622	277928111	/nfs/dbraw/zinc/92/81/11/277928111.db2.gz	JLYHVQGPIIQIII-SECBINFHSA-N	-1	0	321.305	0.293	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C2(C#N)CCCC2)C1=O	ZINC000353132189	280187330	/nfs/dbraw/zinc/18/73/30/280187330.db2.gz	XFLOCPACXDAKAC-VXGBXAGGSA-N	-1	0	321.377	0.897	20	30		DCEDRM
C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)o1	ZINC000554430155	288320293	/nfs/dbraw/zinc/32/02/93/288320293.db2.gz	GJIDNXFBCRGDOF-XPUUQOCRSA-N	-1	0	302.333	0.688	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](C)CCC(=O)[O-]	ZINC000584116719	331834420	/nfs/dbraw/zinc/83/44/20/331834420.db2.gz	IICIIXUHFSLGEI-MNOVXSKESA-N	-1	0	305.400	0.803	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(C(=O)[O-])o1	ZINC000569367829	332065116	/nfs/dbraw/zinc/06/51/16/332065116.db2.gz	PUKYGAZRAKNYHB-QMMMGPOBSA-N	-1	0	301.324	0.546	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000574330408	332346141	/nfs/dbraw/zinc/34/61/41/332346141.db2.gz	UZOSAPXTSUWCDC-WCBMZHEXSA-N	-1	0	317.392	0.942	20	30		DCEDRM
C=C(C)COCCNC(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000562431950	332592823	/nfs/dbraw/zinc/59/28/23/332592823.db2.gz	XGUIJVKWUQLOIY-GFCCVEGCSA-N	-1	0	300.355	0.758	20	30		DCEDRM
N#CCCC1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC000570331921	332740151	/nfs/dbraw/zinc/74/01/51/332740151.db2.gz	DFFZNPGPHRCGQT-UHFFFAOYSA-N	-1	0	321.377	0.852	20	30		DCEDRM
O=C(NCC#Cc1ccccc1)C(F)(F)C(=O)N1CCOCC1	ZINC000296087936	335141474	/nfs/dbraw/zinc/14/14/74/335141474.db2.gz	FQGBTCTXEHAAOY-UHFFFAOYSA-N	-1	0	322.311	0.648	20	30		DCEDRM
CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000563621498	333639142	/nfs/dbraw/zinc/63/91/42/333639142.db2.gz	AAHQBWPCDVGSDT-PWSUYJOCSA-N	-1	0	303.384	0.794	20	30		DCEDRM
CCOC(=O)c1cn[n-]c1S(=O)(=O)OCC(F)(F)F	ZINC000298114146	334246600	/nfs/dbraw/zinc/24/66/00/334246600.db2.gz	ODSFXVLSFULSAS-UHFFFAOYSA-N	-1	0	302.230	0.854	20	30		DCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000048519065	334287209	/nfs/dbraw/zinc/28/72/09/334287209.db2.gz	KUZMTEOHFIMMHT-UHFFFAOYSA-N	-1	0	302.308	0.696	20	30		DCEDRM
O=C(CNC(=O)c1ccsc1)N1CCN2C(=O)NC(=O)[C@H]2C1	ZINC000329945361	336098130	/nfs/dbraw/zinc/09/81/30/336098130.db2.gz	JACZTGCHFHMWDQ-SECBINFHSA-N	-1	0	322.346	0.656	20	30		DCEDRM
CN1CCC[C@@H](/N=C(/[O-])c2cnc3n(c2=O)CCS3)C1=O	ZINC000330157538	336119075	/nfs/dbraw/zinc/11/90/75/336119075.db2.gz	PQLPQKYMHJRJFU-SECBINFHSA-N	-1	0	308.363	0.274	20	30		DCEDRM
Cc1ncc(S(=O)(=O)NCCSCC(=O)[O-])cc1C#N	ZINC000389450192	336392924	/nfs/dbraw/zinc/39/29/24/336392924.db2.gz	RWSBBDIMDRCAPK-UHFFFAOYSA-N	-1	0	315.376	0.358	20	30		DCEDRM
CC1(C)CN(S(=O)(=O)CC2(CC#N)CC2)[C@@H](C(=O)[O-])CO1	ZINC000583325679	337316332	/nfs/dbraw/zinc/31/63/32/337316332.db2.gz	VONRYBAMYURMSW-SNVBAGLBSA-N	-1	0	316.379	0.574	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CC1CCC1)C(=O)[O-]	ZINC000584533036	337357362	/nfs/dbraw/zinc/35/73/62/337357362.db2.gz	ONXJGUOEPAGITG-JQWIXIFHSA-N	-1	0	317.411	0.946	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422707650	337683578	/nfs/dbraw/zinc/68/35/78/337683578.db2.gz	WVAIPBDDGHAIIM-MNOVXSKESA-N	-1	0	309.366	0.612	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCC[C@H]1CCCCO1)C(=O)[O-]	ZINC000514837007	337972643	/nfs/dbraw/zinc/97/26/43/337972643.db2.gz	XCIMTEWMMIAAEH-NEPJUHHUSA-N	-1	0	300.355	0.901	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)OC)c1	ZINC000491140369	339850656	/nfs/dbraw/zinc/85/06/56/339850656.db2.gz	KNSOBFRGRJECMQ-LBPRGKRZSA-N	-1	0	319.317	0.950	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000491792852	339882131	/nfs/dbraw/zinc/88/21/31/339882131.db2.gz	HRWQZNSCLLPWGF-ZDUSSCGKSA-N	-1	0	306.362	0.335	20	30		DCEDRM
CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000496523822	340007121	/nfs/dbraw/zinc/00/71/21/340007121.db2.gz	BPFSZVQJWMGJMC-UHFFFAOYSA-N	-1	0	317.367	0.262	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000496775334	340012695	/nfs/dbraw/zinc/01/26/95/340012695.db2.gz	LWXSGFSAGMKVQB-JTQLQIEISA-N	-1	0	304.368	0.226	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC000530140299	340780667	/nfs/dbraw/zinc/78/06/67/340780667.db2.gz	ACUCPPOPIVZSCG-UHFFFAOYSA-N	-1	0	304.412	0.763	20	30		DCEDRM
Cc1cc(S(=O)(=O)NC[C@@H](C)C#N)ccc1OCC(=O)[O-]	ZINC000546255269	341159786	/nfs/dbraw/zinc/15/97/86/341159786.db2.gz	XWUIQUFLSVQZAI-VIFPVBQESA-N	-1	0	312.347	0.896	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)[O-]	ZINC000555844739	341490673	/nfs/dbraw/zinc/49/06/73/341490673.db2.gz	HSRARJFSTVXJRD-WUHRBBMRSA-N	-1	0	324.377	0.899	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000568002638	341645071	/nfs/dbraw/zinc/64/50/71/341645071.db2.gz	IDGJSCCJEWEIPJ-WCBMZHEXSA-N	-1	0	317.392	0.800	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(CCC(=O)[O-])C(C)C	ZINC000572965423	341711563	/nfs/dbraw/zinc/71/15/63/341711563.db2.gz	OMZRADHVFCPBKV-LLVKDONJSA-N	-1	0	305.400	0.898	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCC1(COC)CCC1)C(=O)[O-]	ZINC000574161951	341750491	/nfs/dbraw/zinc/75/04/91/341750491.db2.gz	NFGXNSFZPJSGEW-NSHDSACASA-N	-1	0	300.355	0.758	20	30		DCEDRM
N#Cc1csc(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n1	ZINC001601132000	1159780530	/nfs/dbraw/zinc/78/05/30/1159780530.db2.gz	AVAKKXXJBCMKBR-WRXNHJIOSA-N	-1	0	301.349	0.297	20	30		DCEDRM
C[C@@H](CN1CCCC1=O)/N=C(/[O-])c1cnc2n(c1=O)CCS2	ZINC000329060175	533808719	/nfs/dbraw/zinc/80/87/19/533808719.db2.gz	YZLCSYWOPSVEPN-VIFPVBQESA-N	-1	0	322.390	0.665	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)NC[C@@H](OC)C(=O)[O-]	ZINC000263062581	522037432	/nfs/dbraw/zinc/03/74/32/522037432.db2.gz	HYIIPABPCHJJGE-GFCCVEGCSA-N	-1	0	308.290	0.161	20	30		DCEDRM
N#CCN1CCN(C(=O)CSc2n[n-]c(=S)s2)CC1	ZINC000267086396	534669994	/nfs/dbraw/zinc/66/99/94/534669994.db2.gz	JTEIDUNBTJCWBO-UHFFFAOYSA-N	-1	0	315.449	0.587	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CN1CCCCCCC1=O)C(=O)[O-]	ZINC000262889643	526786459	/nfs/dbraw/zinc/78/64/59/526786459.db2.gz	CUMBEJPMSDERAG-GFCCVEGCSA-N	-1	0	312.366	0.551	20	30		DCEDRM
C=CCOC[C@H](NC(=O)COc1cccc(OC)c1)C(=O)[O-]	ZINC000263066070	526803453	/nfs/dbraw/zinc/80/34/53/526803453.db2.gz	RACYGEXIPZMHIM-ZDUSSCGKSA-N	-1	0	309.318	0.846	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000263161017	526974285	/nfs/dbraw/zinc/97/42/85/526974285.db2.gz	GCRZAEQEVKSDPV-WDEREUQCSA-N	-1	0	318.395	0.339	20	30		DCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)C(=O)[O-])cc1	ZINC000263155681	527052241	/nfs/dbraw/zinc/05/22/41/527052241.db2.gz	NCKHIDCHJOTROA-GFCCVEGCSA-N	-1	0	324.358	0.191	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000263037305	527090775	/nfs/dbraw/zinc/09/07/75/527090775.db2.gz	LGXRVGPLARCQEM-AWEZNQCLSA-N	-1	0	310.281	0.795	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000159578425	527164537	/nfs/dbraw/zinc/16/45/37/527164537.db2.gz	VLLJWNPACGNSDX-SNVBAGLBSA-N	-1	0	311.315	0.213	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000414328462	527517874	/nfs/dbraw/zinc/51/78/74/527517874.db2.gz	HDWZCOOJZXSJPA-KOLCDFICSA-N	-1	0	300.336	0.345	20	30		DCEDRM
CCCC[C@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)[O-]	ZINC000263450026	528994725	/nfs/dbraw/zinc/99/47/25/528994725.db2.gz	AFOLVINRVSFORU-MNOVXSKESA-N	-1	0	305.400	0.946	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-]	ZINC000159618977	545860382	/nfs/dbraw/zinc/86/03/82/545860382.db2.gz	QDGVIZBXPJCRFN-ZDUSSCGKSA-N	-1	0	310.375	0.908	20	30		DCEDRM
C=CCN(CCOC)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000234703426	545949596	/nfs/dbraw/zinc/94/95/96/545949596.db2.gz	BTLDXCXSEKQDLT-UHFFFAOYSA-N	-1	0	302.352	0.546	20	30		DCEDRM
Cc1nnc(CN2CCN(C(=O)N=c3cn[n-]s3)CC2)[nH]1	ZINC000330271483	546056923	/nfs/dbraw/zinc/05/69/23/546056923.db2.gz	VZTXNTLPNAMPGO-UHFFFAOYSA-N	-1	0	308.371	0.328	20	30		DCEDRM
C=CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1OC	ZINC000385932641	546217320	/nfs/dbraw/zinc/21/73/20/546217320.db2.gz	OEMRWWSBYPQKFM-UHFFFAOYSA-N	-1	0	315.347	0.874	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cnc2onc(C)c2c1)C(=O)[O-]	ZINC000681579436	548266501	/nfs/dbraw/zinc/26/65/01/548266501.db2.gz	OCWOUNFAMFUESQ-LLVKDONJSA-N	-1	0	323.330	0.676	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)cc1C	ZINC000823932401	608275235	/nfs/dbraw/zinc/27/52/35/608275235.db2.gz	XAFFSNPCFCADBI-UHFFFAOYSA-N	-1	0	307.335	0.421	20	30		DCEDRM
N#CCN(CC#N)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000740305558	596966271	/nfs/dbraw/zinc/96/62/71/596966271.db2.gz	OPOZGBRIBLMPCL-CYBMUJFWSA-N	-1	0	311.301	0.582	20	30		DCEDRM
CC[C@@H](NC(=O)C(=O)Nc1cc(C)nn1CCC#N)C(=O)[O-]	ZINC000820405437	597344281	/nfs/dbraw/zinc/34/42/81/597344281.db2.gz	MILHLISLFAKRGC-SECBINFHSA-N	-1	0	307.310	0.023	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)CCN2CC[C@H](C(=O)[O-])C2)c1	ZINC000163338725	597387658	/nfs/dbraw/zinc/38/76/58/597387658.db2.gz	MCQNGGSLLJKWOR-LBPRGKRZSA-N	-1	0	308.359	0.738	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(CC(F)(F)F)CC1	ZINC000819822437	597629409	/nfs/dbraw/zinc/62/94/09/597629409.db2.gz	NVFPTCSSTADTJI-LLVKDONJSA-N	-1	0	307.272	0.697	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(C(=O)N2CCCC2)CC1	ZINC000819812169	597631474	/nfs/dbraw/zinc/63/14/74/597631474.db2.gz	ZAMWGWVVOPFCJY-OAHLLOKOSA-N	-1	0	322.365	0.351	20	30		DCEDRM
COc1ccc([C@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC000820826588	597633457	/nfs/dbraw/zinc/63/34/57/597633457.db2.gz	HLCSWSSONMGVTO-DOMZBBRYSA-N	-1	0	306.318	0.849	20	30		DCEDRM
CC(C)C(=O)N1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819955231	597643399	/nfs/dbraw/zinc/64/33/99/597643399.db2.gz	PHWMOXBECBVRJE-HNNXBMFYSA-N	-1	0	309.366	0.708	20	30		DCEDRM
Cc1cnn(C[C@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2)c1	ZINC000821147054	597647501	/nfs/dbraw/zinc/64/75/01/597647501.db2.gz	UODPJVSWAQQAMU-IUODEOHRSA-N	-1	0	320.349	0.424	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCCN1c1cccnn1	ZINC000819834853	597648373	/nfs/dbraw/zinc/64/83/73/597648373.db2.gz	POSZXKZPQJFPMK-ABAIWWIYSA-N	-1	0	317.349	0.566	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](CO)Cc1ccccc1	ZINC000819833276	597655116	/nfs/dbraw/zinc/65/51/16/597655116.db2.gz	FRMMDZIWDJIUSS-CJNGLKHVSA-N	-1	0	304.346	0.958	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H]1[C@H](O)C(F)(F)F	ZINC000819811169	597658031	/nfs/dbraw/zinc/65/80/31/597658031.db2.gz	LAVPZIPNGNLWDA-OVYXKVPISA-N	-1	0	308.256	0.905	20	30		DCEDRM
N#Cc1cccc([C@H]2CN(CC(=O)NCC(=O)[O-])CCO2)c1	ZINC000821340661	597804532	/nfs/dbraw/zinc/80/45/32/597804532.db2.gz	UXHPGHBFXYDRKJ-CYBMUJFWSA-N	-1	0	303.318	0.132	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(-c2nn[nH]n2)c1	ZINC000822694198	607323757	/nfs/dbraw/zinc/32/37/57/607323757.db2.gz	YNZOYVFLADQKDM-LLVKDONJSA-N	-1	0	321.300	0.806	20	30		DCEDRM
CC(C)[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])N1CCOCC1	ZINC000819962175	598223196	/nfs/dbraw/zinc/22/31/96/598223196.db2.gz	KKZFSOLAXCYRAV-SWLSCSKDSA-N	-1	0	311.382	0.464	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cc(=O)n2ccsc2n1	ZINC000819875239	598224408	/nfs/dbraw/zinc/22/44/08/598224408.db2.gz	VXCIZPJOHUMUNB-ZDUSSCGKSA-N	-1	0	321.314	0.804	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000819820892	598225426	/nfs/dbraw/zinc/22/54/26/598225426.db2.gz	AQURDVWBTWTCMJ-ZBEGNZNMSA-N	-1	0	315.329	0.913	20	30		DCEDRM
CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000819955522	598226124	/nfs/dbraw/zinc/22/61/24/598226124.db2.gz	ZYJUGJMJZXODDP-XHDPSFHLSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CN(C)C(=O)C1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCCC1	ZINC000820524462	598227571	/nfs/dbraw/zinc/22/75/71/598227571.db2.gz	ZXUIGPLPXDPRNG-CQSZACIVSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CN1C(=O)COc2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc21	ZINC000820614303	598229276	/nfs/dbraw/zinc/22/92/76/598229276.db2.gz	FSOVCZWOAULHML-HNNXBMFYSA-N	-1	0	317.301	0.985	20	30		DCEDRM
CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820498438	598230117	/nfs/dbraw/zinc/23/01/17/598230117.db2.gz	CIOSVSLPYHPLKH-YMTOWFKASA-N	-1	0	305.338	0.796	20	30		DCEDRM
O=C([O-])C1=C(C(=O)C2CC2)[C@@H](c2csnn2)NC(=S)N1	ZINC000738529626	599986111	/nfs/dbraw/zinc/98/61/11/599986111.db2.gz	ZTCAWNXXSOUZGE-SSDOTTSWSA-N	-1	0	310.360	0.375	20	30		DCEDRM
COc1ccc(CNC(=O)N2CCO[C@H](C#N)C2)cc1C(=O)[O-]	ZINC000738002737	599996227	/nfs/dbraw/zinc/99/62/27/599996227.db2.gz	XYTMZHORKMDFGN-LLVKDONJSA-N	-1	0	319.317	0.827	20	30		DCEDRM
N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC000739141874	600106904	/nfs/dbraw/zinc/10/69/04/600106904.db2.gz	BIPOJIBZGJCGHW-VXGBXAGGSA-N	-1	0	300.318	0.323	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)Cc1ccc(OCC#N)cc1	ZINC000737605539	600198171	/nfs/dbraw/zinc/19/81/71/600198171.db2.gz	NVUQLBWFKACFIU-UHFFFAOYSA-N	-1	0	320.301	0.218	20	30		DCEDRM
CCc1[nH]c(C(=O)N(CC#N)CC(=O)OC)c(C)c1C(=O)[O-]	ZINC000737237469	600400865	/nfs/dbraw/zinc/40/08/65/600400865.db2.gz	NBUMBDOFVSWVJQ-UHFFFAOYSA-N	-1	0	307.306	0.723	20	30		DCEDRM
C#CCNC(=O)CN1CCN([C@H](C(=O)[O-])c2ccccc2)CC1	ZINC000736075685	600404315	/nfs/dbraw/zinc/40/43/15/600404315.db2.gz	BEJGKKOJAKTRBL-INIZCTEOSA-N	-1	0	315.373	0.179	20	30		DCEDRM
N#CCCN(Cc1ccccn1)S(=O)(=O)CCCC(=O)[O-]	ZINC000738427459	600498489	/nfs/dbraw/zinc/49/84/89/600498489.db2.gz	CDEGWLVFRSRERX-UHFFFAOYSA-N	-1	0	311.363	0.992	20	30		DCEDRM
C#CCSCCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000231951961	600561296	/nfs/dbraw/zinc/56/12/96/600561296.db2.gz	OQTDOFUJUIPQGH-UHFFFAOYSA-N	-1	0	314.388	0.811	20	30		DCEDRM
CC(C)(C)[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000736291441	600602506	/nfs/dbraw/zinc/60/25/06/600602506.db2.gz	XMOXWRQULCHFOZ-CYBMUJFWSA-N	-1	0	317.345	0.904	20	30		DCEDRM
Cc1noc2ncc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc12	ZINC000738955349	600763841	/nfs/dbraw/zinc/76/38/41/600763841.db2.gz	KXVYVEYCJWDSIP-UHFFFAOYSA-N	-1	0	310.291	0.130	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1OC(F)F	ZINC000739085044	600764390	/nfs/dbraw/zinc/76/43/90/600764390.db2.gz	BKRWOTNAQNGMGH-UHFFFAOYSA-N	-1	0	320.273	0.887	20	30		DCEDRM
CCCNC(=O)c1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000737028857	600787943	/nfs/dbraw/zinc/78/79/43/600787943.db2.gz	RIWYOQYMXPIYDX-UHFFFAOYSA-N	-1	0	303.318	0.877	20	30		DCEDRM
N#CC1(NC(=O)CN(CC(=O)[O-])C2CCOCC2)CCCCC1	ZINC000833065277	600853475	/nfs/dbraw/zinc/85/34/75/600853475.db2.gz	WVEPPPPVPJEQNX-UHFFFAOYSA-N	-1	0	323.393	0.895	20	30		DCEDRM
CC(C)[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000817961524	600880515	/nfs/dbraw/zinc/88/05/15/600880515.db2.gz	GQAVPSFLURFIFX-UMAGAQSHSA-N	-1	0	309.322	0.128	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)N1CCc2cc([N+](=O)[O-])ccc21	ZINC000833065506	601003423	/nfs/dbraw/zinc/00/34/23/601003423.db2.gz	AZYYWISGSVPBTL-UHFFFAOYSA-N	-1	0	318.289	0.394	20	30		DCEDRM
N#CCN(CC(=O)[O-])Cc1cc(=O)n2cc(Cl)ccc2n1	ZINC000833066682	601004916	/nfs/dbraw/zinc/00/49/16/601004916.db2.gz	GCYMTGUGEHBZTC-UHFFFAOYSA-N	-1	0	306.709	0.758	20	30		DCEDRM
N#CCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1	ZINC000739085955	601018577	/nfs/dbraw/zinc/01/85/77/601018577.db2.gz	MFNMVVMDHUPTTN-UHFFFAOYSA-N	-1	0	315.376	0.276	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C1CCN(c2cnccn2)CC1	ZINC000739076574	601021408	/nfs/dbraw/zinc/02/14/08/601021408.db2.gz	AGNZQXPWYDDQNI-UHFFFAOYSA-N	-1	0	303.322	0.130	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCSC[C@H]1CC(=O)[O-]	ZINC000826677620	601025978	/nfs/dbraw/zinc/02/59/78/601025978.db2.gz	WBEUYAMQGVFBBI-RISCZKNCSA-N	-1	0	313.423	0.933	20	30		DCEDRM
C#CCCNC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000825608547	601152133	/nfs/dbraw/zinc/15/21/33/601152133.db2.gz	BRUFYOWXVDKOPK-SNVBAGLBSA-N	-1	0	321.358	0.874	20	30		DCEDRM
CS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000832687463	601310308	/nfs/dbraw/zinc/31/03/08/601310308.db2.gz	DKGKPINHHLJJBQ-ZDUSSCGKSA-N	-1	0	323.374	0.261	20	30		DCEDRM
CN1C[C@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CC1=O	ZINC000830913858	601348364	/nfs/dbraw/zinc/34/83/64/601348364.db2.gz	XDJSGPDRMIMTKQ-YPMHNXCESA-N	-1	0	302.286	0.705	20	30		DCEDRM
C[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)S(C)(=O)=O	ZINC000826061169	601349053	/nfs/dbraw/zinc/34/90/53/601349053.db2.gz	CFEGPOXWLXRSFG-KCJUWKMLSA-N	-1	0	311.315	0.660	20	30		DCEDRM
C#CCN1CCN(C(=O)CNc2cc(C(=O)[O-])ccc2C)CC1	ZINC000825619298	601403500	/nfs/dbraw/zinc/40/35/00/601403500.db2.gz	KBYVCETXYKMZAE-UHFFFAOYSA-N	-1	0	315.373	0.883	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)COC(=O)c1cc(C#N)c[nH]1)C(=O)[O-]	ZINC000828714471	601431049	/nfs/dbraw/zinc/43/10/49/601431049.db2.gz	ARWLUMUQTAQQJX-UFBFGSQYSA-N	-1	0	307.306	0.659	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1	ZINC000833073541	601481807	/nfs/dbraw/zinc/48/18/07/601481807.db2.gz	QQWRHYRKUDNZCR-AWEZNQCLSA-N	-1	0	305.265	0.522	20	30		DCEDRM
COCCn1c(C)cc(C(=O)CN(CC#N)CC(=O)[O-])c1C	ZINC000831799969	601595108	/nfs/dbraw/zinc/59/51/08/601595108.db2.gz	CHAWGVLSRISZKN-UHFFFAOYSA-N	-1	0	307.350	0.844	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000831836327	601739766	/nfs/dbraw/zinc/73/97/66/601739766.db2.gz	FVKXZBLBXKSQJT-CYBMUJFWSA-N	-1	0	306.318	0.983	20	30		DCEDRM
C#CCOc1ccccc1CNS(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC000825631723	601791153	/nfs/dbraw/zinc/79/11/53/601791153.db2.gz	KSDSEUPVTPSBAM-LLVKDONJSA-N	-1	0	311.359	0.839	20	30		DCEDRM
C[C@H](CC(=O)[O-])C(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000827263651	602116423	/nfs/dbraw/zinc/11/64/23/602116423.db2.gz	SDMAMBKZMOKFEO-LLVKDONJSA-N	-1	0	302.334	0.713	20	30		DCEDRM
COc1coc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)cc1=O	ZINC000832643008	602123384	/nfs/dbraw/zinc/12/33/84/602123384.db2.gz	NLMJJGKBDRSBDT-UHFFFAOYSA-N	-1	0	302.242	0.428	20	30		DCEDRM
CN(CC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C(=O)[O-]	ZINC000737393101	602327293	/nfs/dbraw/zinc/32/72/93/602327293.db2.gz	KOLMKYCTWMETCF-UHFFFAOYSA-N	-1	0	317.349	0.648	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000831725116	602364368	/nfs/dbraw/zinc/36/43/68/602364368.db2.gz	OLPBOJLCZOFZGA-UHFFFAOYSA-N	-1	0	319.313	0.717	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[C@H](CNC(=O)[O-])c2ccccc2)CCO1	ZINC000831076180	602872709	/nfs/dbraw/zinc/87/27/09/602872709.db2.gz	HKFKKDGDXVGIAV-QWHCGFSZSA-N	-1	0	303.318	0.789	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000828273303	603128109	/nfs/dbraw/zinc/12/81/09/603128109.db2.gz	LJXROQIUCKCKKG-VHSXEESVSA-N	-1	0	304.372	0.103	20	30		DCEDRM
C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)CCN1C(=O)[O-]	ZINC000826081607	603192288	/nfs/dbraw/zinc/19/22/88/603192288.db2.gz	AFYQEGYACVYUJO-VIFPVBQESA-N	-1	0	324.362	0.394	20	30		DCEDRM
Cc1nc(NC(=O)CCNC(=O)[O-])n(-c2ccc(C#N)cc2)n1	ZINC000738864518	603193822	/nfs/dbraw/zinc/19/38/22/603193822.db2.gz	LEIQXQKIAKFQAR-UHFFFAOYSA-N	-1	0	314.305	0.466	20	30		DCEDRM
N#Cc1ccc(OCCOC(=O)COC2CN(C(=O)[O-])C2)cc1	ZINC000831141732	603447897	/nfs/dbraw/zinc/44/78/97/603447897.db2.gz	MDTKQGSKYNPWGZ-UHFFFAOYSA-N	-1	0	320.301	0.859	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)NCCCN1CCN(C(=O)[O-])CC1	ZINC000830989825	603529815	/nfs/dbraw/zinc/52/98/15/603529815.db2.gz	UIKACNJDSIAMFZ-UHFFFAOYSA-N	-1	0	319.365	0.312	20	30		DCEDRM
CC(C)N(CCC#N)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000824336037	603599911	/nfs/dbraw/zinc/59/99/11/603599911.db2.gz	KRLDQDLDFDFYEG-LBPRGKRZSA-N	-1	0	309.370	0.668	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000831092557	603602526	/nfs/dbraw/zinc/60/25/26/603602526.db2.gz	WUSFTHCNYRDXQP-NSHDSACASA-N	-1	0	304.262	0.923	20	30		DCEDRM
COC(=O)[C@@H](OC(=O)[C@H](C)NC(=O)[O-])c1cccc(C#N)c1	ZINC000828613883	603612045	/nfs/dbraw/zinc/61/20/45/603612045.db2.gz	XXLDZPBHGWITCV-KWQFWETISA-N	-1	0	306.274	0.972	20	30		DCEDRM
N#Cc1ccsc1N1CC[C@H](OC(=O)CCNC(=O)[O-])C1=O	ZINC000831156496	603613144	/nfs/dbraw/zinc/61/31/44/603613144.db2.gz	ADHDVBIGBOWZIE-VIFPVBQESA-N	-1	0	323.330	0.926	20	30		DCEDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)Nc1cnn(CC#N)c1	ZINC000826116020	603708737	/nfs/dbraw/zinc/70/87/37/603708737.db2.gz	NWYIJXLFICLJFS-PSASIEDQSA-N	-1	0	307.310	0.849	20	30		DCEDRM
COc1ccc(NC(=O)CN2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000829453670	603725340	/nfs/dbraw/zinc/72/53/40/603725340.db2.gz	IEYAAGJIVCLCQB-LBPRGKRZSA-N	-1	0	318.333	0.821	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C[C@H](O)COc1ccccc1	ZINC000831091775	603726354	/nfs/dbraw/zinc/72/63/54/603726354.db2.gz	KOSGBQYYOVBSJP-OLZOCXBDSA-N	-1	0	305.334	0.614	20	30		DCEDRM
N#Cc1cccc(NC(=O)CN2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000831152748	603726885	/nfs/dbraw/zinc/72/68/85/603726885.db2.gz	LJEZQVCAKYJOHE-ZDUSSCGKSA-N	-1	0	313.317	0.685	20	30		DCEDRM
C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825889249	603728331	/nfs/dbraw/zinc/72/83/31/603728331.db2.gz	VVIUIYAIIRZODW-XQQFMLRXSA-N	-1	0	308.382	0.964	20	30		DCEDRM
CCO[C@H](C)c1noc(CN2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000827371324	603728989	/nfs/dbraw/zinc/72/89/89/603728989.db2.gz	JLOFVMWSGBIAFX-ZJUUUORDSA-N	-1	0	309.326	0.855	20	30		DCEDRM
CCO[C@@H](C)c1noc(CN2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000827371321	603729299	/nfs/dbraw/zinc/72/92/99/603729299.db2.gz	JLOFVMWSGBIAFX-UWVGGRQHSA-N	-1	0	309.326	0.855	20	30		DCEDRM
CN(CCNC(=O)NCCOc1ccc(C#N)cc1)C(=O)[O-]	ZINC000828324425	603755853	/nfs/dbraw/zinc/75/58/53/603755853.db2.gz	PKJUYGJGZCUCQK-UHFFFAOYSA-N	-1	0	306.322	0.846	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000831142091	603784153	/nfs/dbraw/zinc/78/41/53/603784153.db2.gz	RMDNCAMZYYPVHM-GFCCVEGCSA-N	-1	0	318.333	0.989	20	30		DCEDRM
N#Cc1cccc(-c2nnc(COC(=O)CNC(=O)[O-])o2)c1	ZINC000831146529	603785714	/nfs/dbraw/zinc/78/57/14/603785714.db2.gz	SPFSTNJVPAPTLI-UHFFFAOYSA-N	-1	0	302.246	0.919	20	30		DCEDRM
CN(C(=O)COC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(C)(C)C#N	ZINC000827773864	603788893	/nfs/dbraw/zinc/78/88/93/603788893.db2.gz	CCMWZNDMGSXNEU-ZDUSSCGKSA-N	-1	0	315.301	0.382	20	30		DCEDRM
C[C@H](OC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000825545206	603792308	/nfs/dbraw/zinc/79/23/08/603792308.db2.gz	QSPYWUWOJIAXJA-ZANVPECISA-N	-1	0	315.301	0.382	20	30		DCEDRM
C[C@H](OC(=O)C1(NC(=O)[O-])CCCC1)C(=O)N(C)CCC#N	ZINC000825543217	603806416	/nfs/dbraw/zinc/80/64/16/603806416.db2.gz	ASROCCPBAIKSFB-JTQLQIEISA-N	-1	0	311.338	0.871	20	30		DCEDRM
O=C([O-])N1CCc2cccc(C=NN[C@H]3CCS(=O)(=O)C3)c21	ZINC000832079486	603818773	/nfs/dbraw/zinc/81/87/73/603818773.db2.gz	IYRWCXJKLNPMOI-LBPRGKRZSA-N	-1	0	323.374	0.838	20	30		DCEDRM
C[C@]1(C(=O)NCCNc2ccc(C#N)cn2)CCN(C(=O)[O-])C1	ZINC000825662924	603874932	/nfs/dbraw/zinc/87/49/32/603874932.db2.gz	IGQBGNOOUJXQTO-HNNXBMFYSA-N	-1	0	317.349	0.871	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1	ZINC000831102141	603915760	/nfs/dbraw/zinc/91/57/60/603915760.db2.gz	AFUPFTYELLTYMD-RISCZKNCSA-N	-1	0	312.345	0.430	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1	ZINC000831102458	603920449	/nfs/dbraw/zinc/92/04/49/603920449.db2.gz	KGGSDYVSRFZHML-QWHCGFSZSA-N	-1	0	308.382	0.774	20	30		DCEDRM
C#CCNC(=O)COC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823456720	604024348	/nfs/dbraw/zinc/02/43/48/604024348.db2.gz	PYNDRDRALIJMCZ-RISCZKNCSA-N	-1	0	318.329	0.924	20	30		DCEDRM
CC(C)(C(=O)N[C@@H]1CCC[C@H]1C#N)N1CCN(C(=O)[O-])CC1	ZINC000823737378	604028906	/nfs/dbraw/zinc/02/89/06/604028906.db2.gz	GNGZTWMQCRRFHU-NWDGAFQWSA-N	-1	0	308.382	0.869	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000827111522	604040734	/nfs/dbraw/zinc/04/07/34/604040734.db2.gz	QJMFCVFSEBRKJX-WDEREUQCSA-N	-1	0	311.338	0.728	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1	ZINC000825274042	604041493	/nfs/dbraw/zinc/04/14/93/604041493.db2.gz	SAIOCHKNWDIQLQ-MNOVXSKESA-N	-1	0	318.399	0.445	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CSc1cccc[n+]1[O-]	ZINC000831081919	604066765	/nfs/dbraw/zinc/06/67/65/604066765.db2.gz	DJIVWSUXJWQPHY-JTQLQIEISA-N	-1	0	322.346	0.126	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000831083311	604069689	/nfs/dbraw/zinc/06/96/89/604069689.db2.gz	YUHHCDPXGXZBCZ-GFCCVEGCSA-N	-1	0	318.289	0.852	20	30		DCEDRM
Cc1nn(C)c(C)c1OCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830857549	604070986	/nfs/dbraw/zinc/07/09/86/604070986.db2.gz	UPPNHDCOVRTUTR-LLVKDONJSA-N	-1	0	321.337	0.130	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CC[C@@H](N(C)C(=O)[O-])C2)nc1	ZINC000823456927	604222577	/nfs/dbraw/zinc/22/25/77/604222577.db2.gz	SCXFWYBAMNKCJG-GFCCVEGCSA-N	-1	0	302.334	0.633	20	30		DCEDRM
C#CCCCNC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1	ZINC000823444955	604231725	/nfs/dbraw/zinc/23/17/25/604231725.db2.gz	RPAGGKRQCPXGDB-GFCCVEGCSA-N	-1	0	324.381	0.205	20	30		DCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC000824887930	604240834	/nfs/dbraw/zinc/24/08/34/604240834.db2.gz	FMDSYXBBJDGLAD-YMTOWFKASA-N	-1	0	311.338	0.584	20	30		DCEDRM
C[C@H]1CCCN(S(=O)(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)C1	ZINC000825930977	604243722	/nfs/dbraw/zinc/24/37/22/604243722.db2.gz	DVYCDRAKSRIBSL-QWRGUYRKSA-N	-1	0	316.383	0.151	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)n1	ZINC000833078086	604310618	/nfs/dbraw/zinc/31/06/18/604310618.db2.gz	BPWSPDDIHHNSTF-GFCCVEGCSA-N	-1	0	313.317	0.872	20	30		DCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000827016584	604400293	/nfs/dbraw/zinc/40/02/93/604400293.db2.gz	PZWHLLPGGSLACD-IUODEOHRSA-N	-1	0	311.382	0.605	20	30		DCEDRM
CCCCc1nnc(NC(=O)CN(CC#N)CC(=O)[O-])s1	ZINC000829439579	604476655	/nfs/dbraw/zinc/47/66/55/604476655.db2.gz	AJHYYEXATNAECP-UHFFFAOYSA-N	-1	0	311.367	0.729	20	30		DCEDRM
C#CCNC(=O)CNc1cc(F)ccc1C(=O)N[C@@H](C)C(=O)[O-]	ZINC000833365576	604536858	/nfs/dbraw/zinc/53/68/58/604536858.db2.gz	NCLMPJPCTHFQMQ-VIFPVBQESA-N	-1	0	321.308	0.190	20	30		DCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC(=O)NCC(=O)[O-]	ZINC000826641946	604616201	/nfs/dbraw/zinc/61/62/01/604616201.db2.gz	KCPPEQOLUKCALO-UHFFFAOYSA-N	-1	0	320.301	0.460	20	30		DCEDRM
C#CCOCCC(=O)NC1(C(=O)[O-])CCC(C(=O)OC)CC1	ZINC000833364905	604740123	/nfs/dbraw/zinc/74/01/23/604740123.db2.gz	ZJKOHVNMYDXKOH-UHFFFAOYSA-N	-1	0	311.334	0.329	20	30		DCEDRM
Cc1cc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)n(CCC#N)n1	ZINC000830103563	604742188	/nfs/dbraw/zinc/74/21/88/604742188.db2.gz	JGNSWFRLSWMDLR-LLVKDONJSA-N	-1	0	321.337	0.813	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cncc(C(=O)[O-])c1	ZINC000833466345	605016931	/nfs/dbraw/zinc/01/69/31/605016931.db2.gz	XHVCTVQYFKKAJU-OAHLLOKOSA-N	-1	0	319.317	0.991	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cncc(C(=O)[O-])c1	ZINC000833466344	605017071	/nfs/dbraw/zinc/01/70/71/605017071.db2.gz	XHVCTVQYFKKAJU-HNNXBMFYSA-N	-1	0	319.317	0.991	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000833370856	605060763	/nfs/dbraw/zinc/06/07/63/605060763.db2.gz	ODDOGOIRIFRUKI-SECBINFHSA-N	-1	0	317.338	0.987	20	30		DCEDRM
C=CCNc1ncc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])s1	ZINC000833376211	605074020	/nfs/dbraw/zinc/07/40/20/605074020.db2.gz	XRMXOWMDATZANV-VIFPVBQESA-N	-1	0	321.362	0.890	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000393810039	605210032	/nfs/dbraw/zinc/21/00/32/605210032.db2.gz	CQDWBNKYMSRQHL-UHFFFAOYSA-N	-1	0	304.349	0.027	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)[C@@H](CC(F)F)NC(=O)[O-])C1	ZINC000833966351	605317021	/nfs/dbraw/zinc/31/70/21/605317021.db2.gz	DOJMQKXZLIZWOI-VHSXEESVSA-N	-1	0	318.324	0.630	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000833366141	605420620	/nfs/dbraw/zinc/42/06/20/605420620.db2.gz	IBYFNBGIHINNFS-UHFFFAOYSA-N	-1	0	317.750	0.966	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@H](OC(=O)CNC(=O)[O-])C2=O)cc1	ZINC000833974537	605542371	/nfs/dbraw/zinc/54/23/71/605542371.db2.gz	UBCBKABRGRXYKL-LBPRGKRZSA-N	-1	0	317.301	0.864	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CSCC#N	ZINC000833708263	605650545	/nfs/dbraw/zinc/65/05/45/605650545.db2.gz	PQLTWLNWNGOEGA-DTWKUNHWSA-N	-1	0	300.336	0.108	20	30		DCEDRM
N#Cc1ncn(CC(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)n1	ZINC000831162170	605710140	/nfs/dbraw/zinc/71/01/40/605710140.db2.gz	XDCJTAKUPZAEDT-SNVBAGLBSA-N	-1	0	306.326	0.046	20	30		DCEDRM
N#Cc1ccc(C(=O)COC(=O)[C@@H]2COCCN2C(=O)[O-])cc1	ZINC000833973895	605722648	/nfs/dbraw/zinc/72/26/48/605722648.db2.gz	RVDSHXAZLZNKAL-LBPRGKRZSA-N	-1	0	318.285	0.663	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NCC1CN(C(=O)[O-])C1	ZINC000833901252	605726352	/nfs/dbraw/zinc/72/63/52/605726352.db2.gz	ICCKUIAAIBCQSQ-UHFFFAOYSA-N	-1	0	309.347	0.755	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)COC(=O)c1cc(C(=O)[O-])no1	ZINC000833759938	605824964	/nfs/dbraw/zinc/82/49/64/605824964.db2.gz	AHGLLRAMTMWBOI-UHFFFAOYSA-N	-1	0	320.261	0.186	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C[C@@H](O)c1cccc(F)c1	ZINC000833966790	605830877	/nfs/dbraw/zinc/83/08/77/605830877.db2.gz	NSUPGLZSURPYQC-CHWSQXEVSA-N	-1	0	321.308	0.964	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@H](CNC(=O)[O-])C2CC2)cc1	ZINC000833972602	605838214	/nfs/dbraw/zinc/83/82/14/605838214.db2.gz	FMEWRVDRZOIQDD-CHWSQXEVSA-N	-1	0	303.318	0.754	20	30		DCEDRM
N#C[C@@]1(NC(=O)C[C@H]2CSCCN2C(=O)[O-])CCSC1	ZINC000831070941	605882182	/nfs/dbraw/zinc/88/21/82/605882182.db2.gz	VJNQCJAFBVRPIF-CABZTGNLSA-N	-1	0	315.420	0.987	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000831114039	605946771	/nfs/dbraw/zinc/94/67/71/605946771.db2.gz	IIEYERGNLAEXTI-QMMMGPOBSA-N	-1	0	313.310	0.728	20	30		DCEDRM
N#CCN1CCC(NC(=O)N2CCCC[C@@H]2CNC(=O)[O-])CC1	ZINC000833968130	605968670	/nfs/dbraw/zinc/96/86/70/605968670.db2.gz	XMJHOWOQWSZDAE-CYBMUJFWSA-N	-1	0	323.397	0.806	20	30		DCEDRM
CC(C[C@H]1CCCCCN1C(=O)[O-])N=NC1=NC(=O)C(=O)N1	ZINC000833804588	606006811	/nfs/dbraw/zinc/00/68/11/606006811.db2.gz	WFCUOWPHAMFHFS-SECBINFHSA-N	-1	0	309.326	0.277	20	30		DCEDRM
Cc1ccc(CCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)o1	ZINC000822234907	606114345	/nfs/dbraw/zinc/11/43/45/606114345.db2.gz	LDFYRTAEQQNPED-UHFFFAOYSA-N	-1	0	312.293	0.934	20	30		DCEDRM
Cc1ncsc1CCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000822481707	607237397	/nfs/dbraw/zinc/23/73/97/607237397.db2.gz	CFPJCFXTAOESOS-UHFFFAOYSA-N	-1	0	301.339	0.525	20	30		DCEDRM
N#Cc1nc(NC(=O)C2SCCS2)[n-]c1-c1nn[nH]n1	ZINC000826382617	608116311	/nfs/dbraw/zinc/11/63/11/608116311.db2.gz	NHDIZSAPEQJNRN-UHFFFAOYSA-N	-1	0	308.352	0.206	20	30		DCEDRM
COCCC[C@@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000826155587	609404978	/nfs/dbraw/zinc/40/49/78/609404978.db2.gz	VEMAIUYDZXZWHB-SSDOTTSWSA-N	-1	0	304.314	0.463	20	30		DCEDRM
C=CCCOCCNC(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000909118189	663781689	/nfs/dbraw/zinc/78/16/89/663781689.db2.gz	ZWOGMLOIHNPNCE-SMDDNHRTSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC000910269294	663862650	/nfs/dbraw/zinc/86/26/50/663862650.db2.gz	AAPFEMHMORFFQL-NXEZZACHSA-N	-1	0	301.730	0.820	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001032605675	665411187	/nfs/dbraw/zinc/41/11/87/665411187.db2.gz	FVROZETWRRNOJC-PGUXBMHVSA-N	-1	0	305.382	0.898	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC000949436530	658132041	/nfs/dbraw/zinc/13/20/41/658132041.db2.gz	YDGPBBMFYVCMHN-JTQLQIEISA-N	-1	0	306.366	0.967	20	30		DCEDRM
CCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)COC1	ZINC000779315569	658301113	/nfs/dbraw/zinc/30/11/13/658301113.db2.gz	ZUCUIUUODVQHMJ-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
Cn1cc(/C=C/C(=O)c2ccc(O)cc2[O-])c(=O)n(C)c1=O	ZINC000176954753	658431700	/nfs/dbraw/zinc/43/17/00/658431700.db2.gz	FVBDUUXHTLBUDW-ZZXKWVIFSA-N	-1	0	302.286	0.391	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)N(C)CCO2	ZINC000892491054	658720453	/nfs/dbraw/zinc/72/04/53/658720453.db2.gz	CEFLOFYQAFFKOK-GFCCVEGCSA-N	-1	0	317.345	0.600	20	30		DCEDRM
CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000066003173	658756607	/nfs/dbraw/zinc/75/66/07/658756607.db2.gz	SEOIGBDALADDQG-JTQLQIEISA-N	-1	0	317.367	0.584	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)CC[C@H]1CCCO1	ZINC000893714573	661368394	/nfs/dbraw/zinc/36/83/94/661368394.db2.gz	YLUBDVDSRCMOSR-VXGBXAGGSA-N	-1	0	305.396	0.983	20	30		DCEDRM
O=C(C#CC1CC1)N1CC[C@H](CNC(=O)c2cnc[nH]c2=O)C1	ZINC000982740514	661639226	/nfs/dbraw/zinc/63/92/26/661639226.db2.gz	XAUMTYQPQGLKOG-GFCCVEGCSA-N	-1	0	314.345	0.174	20	30		DCEDRM
O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001029302981	662096638	/nfs/dbraw/zinc/09/66/38/662096638.db2.gz	YDNUXYUFYAEWAA-TXEJJXNPSA-N	-1	0	301.350	0.099	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(OC)c(OCCO)c1	ZINC000909515115	662169715	/nfs/dbraw/zinc/16/97/15/662169715.db2.gz	PTYUFYASOAOZHZ-UHFFFAOYSA-N	-1	0	309.318	0.779	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC000895570693	662195350	/nfs/dbraw/zinc/19/53/50/662195350.db2.gz	NOCDFBCHLCMDLN-UHFFFAOYSA-N	-1	0	311.338	0.101	20	30		DCEDRM
C[C@@H]1[C@@H](NCC#N)CCN1C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000987350683	662671064	/nfs/dbraw/zinc/67/10/64/662671064.db2.gz	FKKNSOTUYQHKSM-BDAKNGLRSA-N	-1	0	301.306	0.645	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1	ZINC000729894286	662912229	/nfs/dbraw/zinc/91/22/29/662912229.db2.gz	QCIRAADFXRJATD-UHFFFAOYSA-N	-1	0	304.755	0.884	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000927210985	663154531	/nfs/dbraw/zinc/15/45/31/663154531.db2.gz	INKUNJBTIPUOCU-UHFFFAOYSA-N	-1	0	302.334	0.910	20	30		DCEDRM
CC(C)CN(C)S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899925497	663201093	/nfs/dbraw/zinc/20/10/93/663201093.db2.gz	FERZYPQOLYCERT-LBPRGKRZSA-N	-1	0	302.396	0.619	20	30		DCEDRM
COCCCCS(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899927468	663201470	/nfs/dbraw/zinc/20/14/70/663201470.db2.gz	VYTNPMPMXDNRPK-LBPRGKRZSA-N	-1	0	303.380	0.543	20	30		DCEDRM
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000899934003	663202411	/nfs/dbraw/zinc/20/24/11/663202411.db2.gz	CKJLLKXVRBNZMC-GDNZZTSVSA-N	-1	0	324.333	0.957	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)C3(C(=O)[O-])CCC3)CC2)cn1	ZINC000902627754	663423390	/nfs/dbraw/zinc/42/33/90/663423390.db2.gz	KKINFIFBAGYGTG-UHFFFAOYSA-N	-1	0	314.345	0.857	20	30		DCEDRM
CCS(=O)(CC)=NS(=O)(=O)[N-][C@@](C)(C#N)CSC	ZINC000903125239	663447369	/nfs/dbraw/zinc/44/73/69/663447369.db2.gz	ZVIWWRRLZQKJOL-VIFPVBQESA-N	-1	0	313.470	0.974	20	30		DCEDRM
C#CCOCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1	ZINC000907111154	663667014	/nfs/dbraw/zinc/66/70/14/663667014.db2.gz	IOAFWUCTWUNJOA-UHFFFAOYSA-N	-1	0	321.738	0.648	20	30		DCEDRM
C#CCSCCNC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000909051878	663779841	/nfs/dbraw/zinc/77/98/41/663779841.db2.gz	GWRSRZOBGXLJEB-QWRGUYRKSA-N	-1	0	300.380	0.626	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-]	ZINC000910051767	663836804	/nfs/dbraw/zinc/83/68/04/663836804.db2.gz	GTRNZIJNQCBCLH-AAEUAGOBSA-N	-1	0	315.329	0.023	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@H]1CCC2(CCOCC2)CO1)C(=O)[O-]	ZINC000910049089	663840643	/nfs/dbraw/zinc/84/06/43/663840643.db2.gz	SELJKNXECRCWOV-CHWSQXEVSA-N	-1	0	309.362	0.945	20	30		DCEDRM
C=C[C@@H](O)C(=O)N1CCCN(c2ccc(C(=O)[O-])cn2)CC1	ZINC000911308827	664025077	/nfs/dbraw/zinc/02/50/77/664025077.db2.gz	SYHDZKOGJAGSPG-GFCCVEGCSA-N	-1	0	305.334	0.365	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000911902787	664122890	/nfs/dbraw/zinc/12/28/90/664122890.db2.gz	GKEUTPZAASZBMM-YPMHNXCESA-N	-1	0	308.334	0.896	20	30		DCEDRM
C=CCCOCCCCC(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000913495902	664330125	/nfs/dbraw/zinc/33/01/25/664330125.db2.gz	PLLKDZWTTXZMQX-GFCCVEGCSA-N	-1	0	309.370	0.863	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000166039346	664433155	/nfs/dbraw/zinc/43/31/55/664433155.db2.gz	SRXGIUQRMKLAQF-UHFFFAOYSA-N	-1	0	306.343	0.544	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000592922671	664497669	/nfs/dbraw/zinc/49/76/69/664497669.db2.gz	CJZJFXMKJITNNB-SNVBAGLBSA-N	-1	0	305.359	0.885	20	30		DCEDRM
N#Cc1cccc(OC2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)c1	ZINC000732287497	664912074	/nfs/dbraw/zinc/91/20/74/664912074.db2.gz	VWOOTBWSNORHIK-UHFFFAOYSA-N	-1	0	312.329	0.804	20	30		DCEDRM
C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C	ZINC000993548149	664979758	/nfs/dbraw/zinc/97/97/58/664979758.db2.gz	LZVWHCOSDVEUFH-ZJUUUORDSA-N	-1	0	307.354	0.442	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2ccc(N(C)CCO)cc2)c1=O	ZINC000916304095	665066361	/nfs/dbraw/zinc/06/63/61/665066361.db2.gz	YNMSPCVVRUHUHV-UHFFFAOYSA-N	-1	0	319.390	0.546	20	30		DCEDRM
CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000916775845	665093373	/nfs/dbraw/zinc/09/33/73/665093373.db2.gz	INNVRWHCBADEMS-JTQLQIEISA-N	-1	0	323.374	0.419	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2CCCS2(=O)=O)cc1	ZINC000917002306	665108087	/nfs/dbraw/zinc/10/80/87/665108087.db2.gz	GRUOOLBAICBNMA-LBPRGKRZSA-N	-1	0	321.358	0.295	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1csc(COC)n1	ZINC000920839041	665283209	/nfs/dbraw/zinc/28/32/09/665283209.db2.gz	YBLVYZNZGITEBC-SECBINFHSA-N	-1	0	311.363	0.765	20	30		DCEDRM
CC[C@H](C#N)Oc1cccc(CNC(=O)c2n[nH]c(=O)[n-]2)c1	ZINC000073134839	666588027	/nfs/dbraw/zinc/58/80/27/666588027.db2.gz	QSAORXYNZKRWQB-SNVBAGLBSA-N	-1	0	301.306	0.709	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)[C@@H]2CCN(CC#N)C2)cc1=O	ZINC001033238702	666643889	/nfs/dbraw/zinc/64/38/89/666643889.db2.gz	YLTLMIGMSVFLFE-CQSZACIVSA-N	-1	0	319.409	0.431	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	ZINC000186105060	666681002	/nfs/dbraw/zinc/68/10/02/666681002.db2.gz	WBZMAGCMPQBHOQ-UHFFFAOYSA-N	-1	0	323.374	0.648	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000733675468	666796154	/nfs/dbraw/zinc/79/61/54/666796154.db2.gz	AFTXRPYLAVWFIA-UHFFFAOYSA-N	-1	0	323.374	0.789	20	30		DCEDRM
CCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@@H]1CCN(CC#N)C1	ZINC001034018211	666894759	/nfs/dbraw/zinc/89/47/59/666894759.db2.gz	DDUUBEAITLCNHT-SNVBAGLBSA-N	-1	0	315.333	0.988	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)N(C)CC(F)(F)F	ZINC000788071966	667019775	/nfs/dbraw/zinc/01/97/75/667019775.db2.gz	RQQVTKPUVLFHEO-QMMMGPOBSA-N	-1	0	300.302	0.338	20	30		DCEDRM
CC(C)(O)CNN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000863139660	667113740	/nfs/dbraw/zinc/11/37/40/667113740.db2.gz	KSFDLKDAZLTXDI-UHFFFAOYSA-N	-1	0	311.294	0.753	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-]	ZINC000863419428	667141738	/nfs/dbraw/zinc/14/17/38/667141738.db2.gz	AIUQKDLGEPZDNJ-QMMMGPOBSA-N	-1	0	319.770	0.846	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-]	ZINC000863421371	667142446	/nfs/dbraw/zinc/14/24/46/667142446.db2.gz	WKJNVJLFFDVOMD-QMMMGPOBSA-N	-1	0	307.759	0.603	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)[O-]	ZINC000864186037	667222950	/nfs/dbraw/zinc/22/29/50/667222950.db2.gz	HPQJRBMWFGCTJQ-MRVPVSSYSA-N	-1	0	309.713	0.758	20	30		DCEDRM
C#CCCN1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1	ZINC000737492478	667611308	/nfs/dbraw/zinc/61/13/08/667611308.db2.gz	LNSQZSRPFNGCDA-UHFFFAOYSA-N	-1	0	304.306	0.833	20	30		DCEDRM
N#C[C@]12CN(C(=O)c3ccc(F)cc3[O-])C[C@@H]1CS(=O)(=O)C2	ZINC000886206702	667741385	/nfs/dbraw/zinc/74/13/85/667741385.db2.gz	AUQMELDKGGWRIY-YMTOWFKASA-N	-1	0	324.333	0.542	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccc3nnn(C)c3c2)CC1	ZINC000870835422	667765563	/nfs/dbraw/zinc/76/55/63/667765563.db2.gz	CGJCCHSDEUBOFY-UHFFFAOYSA-N	-1	0	306.347	0.747	20	30		DCEDRM
C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cccc(C#N)c1	ZINC000743777083	667816273	/nfs/dbraw/zinc/81/62/73/667816273.db2.gz	OOGFTANRMMGVPY-SNVBAGLBSA-N	-1	0	322.328	0.820	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1)C(=O)[O-]	ZINC000871649799	667841549	/nfs/dbraw/zinc/84/15/49/667841549.db2.gz	QGODVMBDNTZZTE-MROQNXINSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=CCn1cc(CNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])nn1	ZINC000887296551	667866412	/nfs/dbraw/zinc/86/64/12/667866412.db2.gz	FPXISXRCMNZGST-DNIRFERGSA-N	-1	0	302.334	0.603	20	30		DCEDRM
N#CCn1cc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cn1	ZINC000747406220	667902253	/nfs/dbraw/zinc/90/22/53/667902253.db2.gz	AOLKUHCBQDVYII-UHFFFAOYSA-N	-1	0	305.319	0.306	20	30		DCEDRM
Cn1ncc2c1ncn(N=Cc1ccc([N+](=O)[O-])c([O-])c1)c2=O	ZINC000748133880	667920063	/nfs/dbraw/zinc/92/00/63/667920063.db2.gz	SQDJTIHRULJEBL-UHFFFAOYSA-N	-1	0	314.261	0.626	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)c2)cn1	ZINC000749215667	667948768	/nfs/dbraw/zinc/94/87/68/667948768.db2.gz	DJBHCQTVIBUTEC-UHFFFAOYSA-N	-1	0	304.331	0.893	20	30		DCEDRM
O=c1nc(NN=Cc2cc(F)c([O-])c(F)c2)nc2[nH][nH]cc1-2	ZINC000749858996	667965993	/nfs/dbraw/zinc/96/59/93/667965993.db2.gz	LZGOXRQOACOKOA-UHFFFAOYSA-N	-1	0	306.232	0.862	20	30		DCEDRM
Cc1oc(-c2cnn(C)c2)nc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000752161131	668013697	/nfs/dbraw/zinc/01/36/97/668013697.db2.gz	PWNDVJNZVJBYCN-LLVKDONJSA-N	-1	0	313.317	0.985	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc2c1N(C)C(=O)CO2	ZINC000890358429	668118466	/nfs/dbraw/zinc/11/84/66/668118466.db2.gz	RWDYOHMJJIZPGY-UHFFFAOYSA-N	-1	0	319.317	0.604	20	30		DCEDRM
COc1ccc(O)c(C(=O)/C=C/c2cn(CC(=O)[O-])nn2)c1	ZINC000759084720	668205564	/nfs/dbraw/zinc/20/55/64/668205564.db2.gz	QHFGEYQJQJZWDK-DUXPYHPUSA-N	-1	0	303.274	0.973	20	30		DCEDRM
CN(CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C(=O)C1CC1	ZINC000759172590	668209422	/nfs/dbraw/zinc/20/94/22/668209422.db2.gz	YWRJKSIXZHCGFH-UHFFFAOYSA-N	-1	0	321.358	0.232	20	30		DCEDRM
C#C[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@H]1CCCO1	ZINC000759204409	668210067	/nfs/dbraw/zinc/21/00/67/668210067.db2.gz	XJJVOUKBWFFDJX-DTWKUNHWSA-N	-1	0	306.284	0.741	20	30		DCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000759503226	668222191	/nfs/dbraw/zinc/22/21/91/668222191.db2.gz	DEHQLVAMRVMOAR-UHFFFAOYSA-N	-1	0	318.380	0.658	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1	ZINC000759520892	668222593	/nfs/dbraw/zinc/22/25/93/668222593.db2.gz	PYSJRHFCPACVSJ-UHFFFAOYSA-N	-1	0	322.386	0.997	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1ncc2ccccc2c1=O	ZINC000762050262	668345007	/nfs/dbraw/zinc/34/50/07/668345007.db2.gz	KOFUKUCGONVDPA-UHFFFAOYSA-N	-1	0	301.302	0.496	20	30		DCEDRM
C=CCN(C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C(C)C	ZINC000926309874	668392624	/nfs/dbraw/zinc/39/26/24/668392624.db2.gz	UHHSFPCFDLCOKS-QWHCGFSZSA-N	-1	0	308.378	0.979	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(F)c(OC)cc1F	ZINC000926488229	668409474	/nfs/dbraw/zinc/40/94/74/668409474.db2.gz	XCSNEHBUOCPNPV-UHFFFAOYSA-N	-1	0	319.285	0.682	20	30		DCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000926537651	668411301	/nfs/dbraw/zinc/41/13/01/668411301.db2.gz	NZBFFPDFSOTJRK-SECBINFHSA-N	-1	0	315.322	0.931	20	30		DCEDRM
COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000764315486	668443628	/nfs/dbraw/zinc/44/36/28/668443628.db2.gz	ILOGNOGIQBILDN-UHFFFAOYSA-N	-1	0	311.363	0.828	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2nc(C)cc(C)n2)n1	ZINC000764566967	668453557	/nfs/dbraw/zinc/45/35/57/668453557.db2.gz	IYZNQPLWAHHXDL-LLVKDONJSA-N	-1	0	312.333	0.656	20	30		DCEDRM
CCCn1nccc1/C=C/C(=O)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000876498141	668456578	/nfs/dbraw/zinc/45/65/78/668456578.db2.gz	PYUVYIPCEIRODQ-AATRIKPKSA-N	-1	0	318.333	0.292	20	30		DCEDRM
COCC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2OC)CC1	ZINC000766986735	668555848	/nfs/dbraw/zinc/55/58/48/668555848.db2.gz	YAXIAGXWUOHVSO-UHFFFAOYSA-N	-1	0	324.358	0.798	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)NCCO[C@@H]1CCOC1)C(=O)[O-]	ZINC000929016727	668645047	/nfs/dbraw/zinc/64/50/47/668645047.db2.gz	HQMOSJNAFFPUQI-NXEZZACHSA-N	-1	0	306.746	0.687	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc([S@](C)=O)c1	ZINC000770837924	668718773	/nfs/dbraw/zinc/71/87/73/668718773.db2.gz	DLFTVTJRLUJZJL-QKVFXAPYSA-N	-1	0	308.359	0.509	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCOCC2CC2)CCC1	ZINC000771076327	668730068	/nfs/dbraw/zinc/73/00/68/668730068.db2.gz	QTEMOMLWXZHETG-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)NCCc1n[n-]c(=S)o1	ZINC000773096393	668792977	/nfs/dbraw/zinc/79/29/77/668792977.db2.gz	HVVCYVQHCSUJCQ-UHFFFAOYSA-N	-1	0	304.331	0.968	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)[N-]OCCOCC)cc1	ZINC000773633703	668809910	/nfs/dbraw/zinc/80/99/10/668809910.db2.gz	OVPYNKGYHDGZTI-UHFFFAOYSA-N	-1	0	306.318	0.721	20	30		DCEDRM
C[C@@H](CN(C)C(=O)c1ccccc1OCC#N)c1nnn[n-]1	ZINC000773998550	668819439	/nfs/dbraw/zinc/81/94/39/668819439.db2.gz	MWSATGWKCOUZGZ-JTQLQIEISA-N	-1	0	300.322	0.978	20	30		DCEDRM
Cn1nccc1CCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000774501870	668835653	/nfs/dbraw/zinc/83/56/53/668835653.db2.gz	FYPWCSSYFJNMBL-UHFFFAOYSA-N	-1	0	310.379	0.493	20	30		DCEDRM
Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)CCCC#N)cn12	ZINC000776115982	668871030	/nfs/dbraw/zinc/87/10/30/668871030.db2.gz	CTEZHBKYSNQGJF-UHFFFAOYSA-N	-1	0	307.335	0.401	20	30		DCEDRM
Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cn12	ZINC000776138985	668871607	/nfs/dbraw/zinc/87/16/07/668871607.db2.gz	SJCPDKOZCPXFQA-UHFFFAOYSA-N	-1	0	321.362	0.647	20	30		DCEDRM
CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776137523	668871649	/nfs/dbraw/zinc/87/16/49/668871649.db2.gz	ADWNNZFSEQXJCQ-JTQLQIEISA-N	-1	0	306.384	0.424	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCn1ccccc1=O	ZINC000776142800	668871716	/nfs/dbraw/zinc/87/17/16/668871716.db2.gz	AOROYAZHSXDKFQ-UHFFFAOYSA-N	-1	0	311.363	0.234	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccccc2)CC1	ZINC000776600202	668878947	/nfs/dbraw/zinc/87/89/47/668878947.db2.gz	IVOVZQSCRKHGSV-RYUDHWBXSA-N	-1	0	324.358	0.396	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-]	ZINC000776596101	668878955	/nfs/dbraw/zinc/87/89/55/668878955.db2.gz	CQRXMNDAVUBPDO-SECBINFHSA-N	-1	0	316.335	0.499	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2CN1C(C)=O	ZINC000778323933	668897523	/nfs/dbraw/zinc/89/75/23/668897523.db2.gz	FMPIHSJCJCCKSH-AWEZNQCLSA-N	-1	0	322.386	0.592	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cccnc1	ZINC000780462227	668987867	/nfs/dbraw/zinc/98/78/67/668987867.db2.gz	AANAPUJQLUPWDW-UHFFFAOYSA-N	-1	0	306.347	0.728	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1	ZINC000780992632	669025369	/nfs/dbraw/zinc/02/53/69/669025369.db2.gz	AGPSALXESWNEIO-OLZOCXBDSA-N	-1	0	312.333	0.511	20	30		DCEDRM
COC(=O)CCN(CC#N)CC(=O)[N-]OCc1ccccc1	ZINC000879474505	669039479	/nfs/dbraw/zinc/03/94/79/669039479.db2.gz	QJLNPYJLBDDMSE-UHFFFAOYSA-N	-1	0	305.334	0.623	20	30		DCEDRM
N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000781496603	669046717	/nfs/dbraw/zinc/04/67/17/669046717.db2.gz	GETMVTSNGYTCAD-NSHDSACASA-N	-1	0	324.358	0.828	20	30		DCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000783597542	669162105	/nfs/dbraw/zinc/16/21/05/669162105.db2.gz	NQUXSBVAIGUSED-UHFFFAOYSA-N	-1	0	304.291	0.629	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(CC(F)(F)F)c1	ZINC000786929016	669341133	/nfs/dbraw/zinc/34/11/33/669341133.db2.gz	HTNZICGUKWEFOY-VIFPVBQESA-N	-1	0	318.255	0.530	20	30		DCEDRM
C=CCNC(=O)c1cccc(S(=O)(=O)NC/C=C/C(=O)[O-])c1	ZINC000788447230	669440434	/nfs/dbraw/zinc/44/04/34/669440434.db2.gz	QRTNHLDGRRPDNE-QPJJXVBHSA-N	-1	0	324.358	0.522	20	30		DCEDRM
C#CCn1cc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)cn1	ZINC000882347384	669506498	/nfs/dbraw/zinc/50/64/98/669506498.db2.gz	HJZRDCUALHDHCF-UHFFFAOYSA-N	-1	0	316.408	0.113	20	30		DCEDRM
Cc1cc(C)n(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n1	ZINC000793206022	669707197	/nfs/dbraw/zinc/70/71/97/669707197.db2.gz	UMLZOAZVVLHJDC-UHFFFAOYSA-N	-1	0	310.379	0.640	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)Cc1ccccn1	ZINC000793311239	669714086	/nfs/dbraw/zinc/71/40/86/669714086.db2.gz	DSGQELRPZOJWNS-UHFFFAOYSA-N	-1	0	304.331	0.552	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1)C1CC1	ZINC000796680069	669938712	/nfs/dbraw/zinc/93/87/12/669938712.db2.gz	YJHJATTWEYYLCP-ZDUSSCGKSA-N	-1	0	308.359	0.929	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000798202715	669992029	/nfs/dbraw/zinc/99/20/29/669992029.db2.gz	KTYANGCFUXMOME-LLVKDONJSA-N	-1	0	324.358	0.097	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnn(CCF)c2)CC1	ZINC000808998558	670434734	/nfs/dbraw/zinc/43/47/34/670434734.db2.gz	LQPCVJBGYMXVHX-UHFFFAOYSA-N	-1	0	300.315	0.216	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COc1cccc(C(C)=O)c1	ZINC000810772712	670496708	/nfs/dbraw/zinc/49/67/08/670496708.db2.gz	BHELQYBDISFIFN-UHFFFAOYSA-N	-1	0	309.343	0.737	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1	ZINC000810774546	670496897	/nfs/dbraw/zinc/49/68/97/670496897.db2.gz	JXGDMMOWWSWUKA-GHMZBOCLSA-N	-1	0	301.364	0.435	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H](C)NC(=O)c1ccccc1	ZINC000810777988	670497147	/nfs/dbraw/zinc/49/71/47/670497147.db2.gz	TWTMWDCJFKSNRW-LBPRGKRZSA-N	-1	0	322.386	0.664	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000810776668	670497226	/nfs/dbraw/zinc/49/72/26/670497226.db2.gz	CPTRSIIVOYWNEV-UHFFFAOYSA-N	-1	0	306.343	0.654	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1OCCOC	ZINC000810779875	670497533	/nfs/dbraw/zinc/49/75/33/670497533.db2.gz	FCXMPDWWNGESPJ-UHFFFAOYSA-N	-1	0	311.359	0.795	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC(=O)N2C	ZINC000810785250	670497970	/nfs/dbraw/zinc/49/79/70/670497970.db2.gz	DAAHJNWOUXHLFG-UHFFFAOYSA-N	-1	0	320.370	0.679	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nn1	ZINC000810783199	670497992	/nfs/dbraw/zinc/49/79/92/670497992.db2.gz	IHSUOSVZMFVZHY-UHFFFAOYSA-N	-1	0	308.363	0.160	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCCO3)CC1	ZINC000810980506	670501625	/nfs/dbraw/zinc/50/16/25/670501625.db2.gz	ATOIMWCMQINBQI-UHFFFAOYSA-N	-1	0	311.363	0.834	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)COc2cc(C)on2)CC1	ZINC000810986687	670502326	/nfs/dbraw/zinc/50/23/26/670502326.db2.gz	JQWLKGVLLOCHAB-UHFFFAOYSA-N	-1	0	300.336	0.917	20	30		DCEDRM
COC(=O)CCCO[N-]C(=O)COc1ccc(C#N)cc1OC	ZINC000811558536	670535325	/nfs/dbraw/zinc/53/53/25/670535325.db2.gz	ONZFKWRHRJJKDY-UHFFFAOYSA-N	-1	0	322.317	0.947	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000854233812	670536920	/nfs/dbraw/zinc/53/69/20/670536920.db2.gz	MLWREIHZFOLXLX-LLVKDONJSA-N	-1	0	318.395	0.387	20	30		DCEDRM
C[C@](O)(C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1)C1CCC1	ZINC000812674074	670591594	/nfs/dbraw/zinc/59/15/94/670591594.db2.gz	SDGDIGKRFHMYDR-OAHLLOKOSA-N	-1	0	316.317	0.901	20	30		DCEDRM
CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2CCCN(O)C2=O)CCC1	ZINC000854648482	670604214	/nfs/dbraw/zinc/60/42/14/670604214.db2.gz	FKOOKDUXZSIAGY-SNVBAGLBSA-N	-1	0	312.366	0.995	20	30		DCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000854649440	670605200	/nfs/dbraw/zinc/60/52/00/670605200.db2.gz	YYJYKMLYSSYAMT-JTQLQIEISA-N	-1	0	318.289	0.140	20	30		DCEDRM
CC(C)(C)n1cnc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1	ZINC000813081817	670609694	/nfs/dbraw/zinc/60/96/94/670609694.db2.gz	RIQYAFQKVKHUGM-UHFFFAOYSA-N	-1	0	313.383	0.642	20	30		DCEDRM
CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)[nH]n1	ZINC000813979968	670667456	/nfs/dbraw/zinc/66/74/56/670667456.db2.gz	LJYFQQFEGSHTCC-UHFFFAOYSA-N	-1	0	319.346	0.918	20	30		DCEDRM
CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980529	670667719	/nfs/dbraw/zinc/66/77/19/670667719.db2.gz	CNBLKNVUGYYBJG-UHFFFAOYSA-N	-1	0	308.146	0.952	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)[N-]OCCOCC	ZINC000814180765	670679231	/nfs/dbraw/zinc/67/92/31/670679231.db2.gz	PDHJQPUCLGQIDV-VXGBXAGGSA-N	-1	0	300.355	0.168	20	30		DCEDRM
O=C1NC(=O)C(=N[N-]c2cccc(C(F)(F)F)n2)C(=O)N1	ZINC000814223633	670681977	/nfs/dbraw/zinc/68/19/77/670681977.db2.gz	YVFDXXAILQXLSH-UHFFFAOYSA-N	-1	0	301.184	0.234	20	30		DCEDRM
O=C([O-])CN(C(=O)CCNC(=O)C1N=CC=CC1=O)C1CCC1	ZINC000848455263	670685499	/nfs/dbraw/zinc/68/54/99/670685499.db2.gz	MRZDQJPOPPNHGO-CCEZHUSRSA-N	-1	0	321.333	0.369	20	30		DCEDRM
C[C@H]1C(N=Nc2nc3[nH][nH]cc-3c(=O)n2)CC[C@@H]1CC(=O)[O-]	ZINC000814842550	670704556	/nfs/dbraw/zinc/70/45/56/670704556.db2.gz	BFPOPBJNHSYRHJ-RNFRBKRXSA-N	-1	0	304.310	0.721	20	30		DCEDRM
C[C@H]1CC(N=Nc2nc3[nH][nH]cc-3c(=O)n2)CC[C@@H]1C(=O)[O-]	ZINC000814843246	670705157	/nfs/dbraw/zinc/70/51/57/670705157.db2.gz	PZTCDKIZPXSVMN-XPUUQOCRSA-N	-1	0	304.310	0.721	20	30		DCEDRM
CC(C)(C)c1csc(NC(=O)C(=O)[N-]OCC(N)=O)c1C#N	ZINC000815614693	670751849	/nfs/dbraw/zinc/75/18/49/670751849.db2.gz	YWOFEAGOIQNYBS-UHFFFAOYSA-N	-1	0	324.362	0.389	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccccc1COC	ZINC000849219506	670765817	/nfs/dbraw/zinc/76/58/17/670765817.db2.gz	ZEBAPRKTHUPMLP-UHFFFAOYSA-N	-1	0	311.359	0.683	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000815896883	670770454	/nfs/dbraw/zinc/77/04/54/670770454.db2.gz	XLOSCHXQPMKPNE-UHFFFAOYSA-N	-1	0	321.305	0.140	20	30		DCEDRM
CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC000815898374	670770710	/nfs/dbraw/zinc/77/07/10/670770710.db2.gz	BPJUQALTAPRZEX-UHFFFAOYSA-N	-1	0	319.346	0.597	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1nn(CC)nc1C	ZINC000815904539	670771076	/nfs/dbraw/zinc/77/10/76/670771076.db2.gz	IRUFZZQBOKDBDC-LLVKDONJSA-N	-1	0	307.354	0.472	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1	ZINC000815948788	670774491	/nfs/dbraw/zinc/77/44/91/670774491.db2.gz	UUNBHJVWJGZOPC-CYBMUJFWSA-N	-1	0	323.374	0.473	20	30		DCEDRM
C#CC[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C1	ZINC000849331951	670777704	/nfs/dbraw/zinc/77/77/04/670777704.db2.gz	GFWNGMDWJAKSRF-VXGBXAGGSA-N	-1	0	300.380	0.516	20	30		DCEDRM
N#Cc1cccc(OCC(=O)[N-]OCCN2CCCC2=O)c1	ZINC000856038985	670779406	/nfs/dbraw/zinc/77/94/06/670779406.db2.gz	ORYIHNQIECBTAG-UHFFFAOYSA-N	-1	0	303.318	0.607	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000816010946	670779425	/nfs/dbraw/zinc/77/94/25/670779425.db2.gz	ANHNICISRPHDQK-NSHDSACASA-N	-1	0	309.347	0.500	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)c1ncccc1F	ZINC000816043307	670782324	/nfs/dbraw/zinc/78/23/24/670782324.db2.gz	OQBBCMHXOUJBKC-UHFFFAOYSA-N	-1	0	320.305	0.915	20	30		DCEDRM
C#C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])[C@H]1CCCO1	ZINC000849387114	670786180	/nfs/dbraw/zinc/78/61/80/670786180.db2.gz	JTTSAZUNYLCDGY-MWLCHTKSSA-N	-1	0	311.319	0.449	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCCC1)C(=O)OC	ZINC000849398030	670789413	/nfs/dbraw/zinc/78/94/13/670789413.db2.gz	JBLCXDSVNQOPDD-QWHCGFSZSA-N	-1	0	317.407	0.676	20	30		DCEDRM
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816733583	670851773	/nfs/dbraw/zinc/85/17/73/670851773.db2.gz	CVXDGLMCEKJZKL-LLVKDONJSA-N	-1	0	317.305	0.735	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C=CC(=O)OC)o1	ZINC000850758018	670938986	/nfs/dbraw/zinc/93/89/86/670938986.db2.gz	WPCGAZPXGPAAMA-VLWUPBBWSA-N	-1	0	320.301	0.551	20	30		DCEDRM
C=C(Cl)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000850784780	670940057	/nfs/dbraw/zinc/94/00/57/670940057.db2.gz	FANDQTPRLOHXMZ-UHFFFAOYSA-N	-1	0	314.729	0.510	20	30		DCEDRM
C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000850787674	670940225	/nfs/dbraw/zinc/94/02/25/670940225.db2.gz	WIDHIOYBNNWSBW-JTQLQIEISA-N	-1	0	320.349	0.559	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)ccc1C#N	ZINC000850843632	670948077	/nfs/dbraw/zinc/94/80/77/670948077.db2.gz	MSRZDRRQKYISRU-LLVKDONJSA-N	-1	0	310.331	0.415	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)N(C)CCC(=O)[O-])c1	ZINC000817883224	670950080	/nfs/dbraw/zinc/95/00/80/670950080.db2.gz	GOKBBBZENBSBJL-UHFFFAOYSA-N	-1	0	304.302	0.570	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CN1CCN(C2CC2)C1=O	ZINC000850898466	670953646	/nfs/dbraw/zinc/95/36/46/670953646.db2.gz	HKRVUPQRGCKRIB-LLVKDONJSA-N	-1	0	315.333	0.212	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000851034744	670962965	/nfs/dbraw/zinc/96/29/65/670962965.db2.gz	SXVXBUBCWSXTBI-NSHDSACASA-N	-1	0	318.395	0.082	20	30		DCEDRM
C[C@@H]1CC[C@@H](NC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1	ZINC000858379163	670998562	/nfs/dbraw/zinc/99/85/62/670998562.db2.gz	WPZDKKFVZDFRNS-MWLCHTKSSA-N	-1	0	317.349	0.575	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000818315766	671002155	/nfs/dbraw/zinc/00/21/55/671002155.db2.gz	AIRUWZCTYGZVDW-MNOVXSKESA-N	-1	0	308.338	0.731	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000818315767	671002238	/nfs/dbraw/zinc/00/22/38/671002238.db2.gz	AIRUWZCTYGZVDW-QWRGUYRKSA-N	-1	0	308.338	0.731	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])[C@H]1CCCO1	ZINC000818657536	671042027	/nfs/dbraw/zinc/04/20/27/671042027.db2.gz	HHTPMOHGPOZBSV-FRRDWIJNSA-N	-1	0	324.377	0.147	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)c1ccccc1[N-]S(=O)(=O)CC	ZINC000820055095	671159578	/nfs/dbraw/zinc/15/95/78/671159578.db2.gz	UXXRNAZPORHYGS-NSHDSACASA-N	-1	0	310.375	0.562	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)[C@H](C)COC)CCOCC1	ZINC000820068048	671161978	/nfs/dbraw/zinc/16/19/78/671161978.db2.gz	NFITWHWXUYUNMU-LLVKDONJSA-N	-1	0	305.396	0.840	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccnc2ccnn21	ZINC000860462056	671210931	/nfs/dbraw/zinc/21/09/31/671210931.db2.gz	PUEJNRUQNSLOGI-LLVKDONJSA-N	-1	0	315.333	0.595	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C)c(C(=O)OC)o1	ZINC000860462311	671210971	/nfs/dbraw/zinc/21/09/71/671210971.db2.gz	SKYBKGXBTRJFDS-JTQLQIEISA-N	-1	0	322.317	0.850	20	30		DCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC000860550577	671218498	/nfs/dbraw/zinc/21/84/98/671218498.db2.gz	WUCPDNDZPYCVKW-UHFFFAOYSA-N	-1	0	304.368	0.716	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2c(C(F)(F)F)cnn2C)c1=O	ZINC000853266619	671224730	/nfs/dbraw/zinc/22/47/30/671224730.db2.gz	LBLAXJJSQKCBNX-UHFFFAOYSA-N	-1	0	318.284	0.870	20	30		DCEDRM
COCC(CC1CCOCC1)N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000853305075	671225947	/nfs/dbraw/zinc/22/59/47/671225947.db2.gz	NIUJXHFCMMQFMN-UHFFFAOYSA-N	-1	0	320.353	0.663	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccnc3ccnn32)CCC1	ZINC000860672220	671229108	/nfs/dbraw/zinc/22/91/08/671229108.db2.gz	QTMPWGBJDZHHFR-UHFFFAOYSA-N	-1	0	319.346	0.483	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@]1(C)COc2ccccc2O1	ZINC000860721729	671233654	/nfs/dbraw/zinc/23/36/54/671233654.db2.gz	KUSDQPOEYJUYHR-CQSZACIVSA-N	-1	0	309.343	0.686	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)c2cccn2C)nn1	ZINC000821375998	671275509	/nfs/dbraw/zinc/27/55/09/671275509.db2.gz	LBLPZJVJDWIYHG-UHFFFAOYSA-N	-1	0	309.351	0.311	20	30		DCEDRM
N#Cc1ccccc1NC1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1	ZINC000824600607	671434544	/nfs/dbraw/zinc/43/45/44/671434544.db2.gz	BRSCECKDERSRCN-UHFFFAOYSA-N	-1	0	311.345	0.837	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)c1ccc2c(c1)OCO2	ZINC000826383365	671487186	/nfs/dbraw/zinc/48/71/86/671487186.db2.gz	XMTGQQFMKYULAS-UHFFFAOYSA-N	-1	0	323.272	0.546	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000835028589	671786425	/nfs/dbraw/zinc/78/64/25/671786425.db2.gz	MYEAMFKAXMWGTL-VIFPVBQESA-N	-1	0	312.303	0.438	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000835031054	671786525	/nfs/dbraw/zinc/78/65/25/671786525.db2.gz	JJVWJGAEBJIKBK-LLVKDONJSA-N	-1	0	309.343	0.732	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2	ZINC000835271633	671792455	/nfs/dbraw/zinc/79/24/55/671792455.db2.gz	XLYRVTFPZWSGAD-NSHDSACASA-N	-1	0	323.370	0.855	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COCC2CCCC2)CC1	ZINC000835293847	671792930	/nfs/dbraw/zinc/79/29/30/671792930.db2.gz	HCMHFTMLXBMQDT-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1nc(Cl)cs1	ZINC000835765292	671805575	/nfs/dbraw/zinc/80/55/75/671805575.db2.gz	TXCXFVNYJJDSBP-ZCFIWIBFSA-N	-1	0	308.768	0.640	20	30		DCEDRM
C=CCO[N-]C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O	ZINC000837043035	671843347	/nfs/dbraw/zinc/84/33/47/671843347.db2.gz	JSUBTADZISUQIN-HNNXBMFYSA-N	-1	0	321.308	0.827	20	30		DCEDRM
C=CCO[N-]C(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O	ZINC000837050264	671843853	/nfs/dbraw/zinc/84/38/53/671843853.db2.gz	YMUCSSGLXRENRU-LBPRGKRZSA-N	-1	0	320.267	0.852	20	30		DCEDRM
C=CCO[N-]C(=O)Cc1c(C(=O)NOCC=C)c(C)cn1C	ZINC000837048014	671844057	/nfs/dbraw/zinc/84/40/57/671844057.db2.gz	IWHRTACORSYMPF-UHFFFAOYSA-N	-1	0	307.350	0.957	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C(=O)OC	ZINC000837949177	671888975	/nfs/dbraw/zinc/88/89/75/671888975.db2.gz	UPUZGGITTCUYSR-BDAKNGLRSA-N	-1	0	322.283	0.371	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000840894388	671905010	/nfs/dbraw/zinc/90/50/10/671905010.db2.gz	SNVNUNYKBLQZBQ-KOLCDFICSA-N	-1	0	300.336	0.725	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C(=O)OC(C)(C)C	ZINC000842330825	672005881	/nfs/dbraw/zinc/00/58/81/672005881.db2.gz	WCCNMRTVHFPASZ-VIFPVBQESA-N	-1	0	304.368	0.714	20	30		DCEDRM
CO[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000842365580	672009128	/nfs/dbraw/zinc/00/91/28/672009128.db2.gz	UBANVSFECNSWJQ-LBPRGKRZSA-N	-1	0	311.363	0.819	20	30		DCEDRM
CC[C@@H](NN=Cc1ccc(S(N)(=O)=O)cc1F)C(=O)[O-]	ZINC000842532536	672017072	/nfs/dbraw/zinc/01/70/72/672017072.db2.gz	ARSKRFIQYTUHEB-SNVBAGLBSA-N	-1	0	303.315	0.260	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)c2c(C)noc2C)nn1	ZINC000842676004	672027301	/nfs/dbraw/zinc/02/73/01/672027301.db2.gz	PRZUGWCAWGRWOT-UHFFFAOYSA-N	-1	0	311.323	0.188	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn(C2CCC2)nn1	ZINC000842681215	672027938	/nfs/dbraw/zinc/02/79/38/672027938.db2.gz	INLDNVSGFAMXKA-LLVKDONJSA-N	-1	0	305.338	0.478	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn2c1C[C@H](C)CC2	ZINC000842684599	672028517	/nfs/dbraw/zinc/02/85/17/672028517.db2.gz	LUHCXOAAZJNDTK-MNOVXSKESA-N	-1	0	304.350	0.550	20	30		DCEDRM
CC[C@H](C)C[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000844790185	672202605	/nfs/dbraw/zinc/20/26/05/672202605.db2.gz	WTKIBKVTEVBJBG-HBNTYKKESA-N	-1	0	305.400	0.944	20	30		DCEDRM
Nc1cccc(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)c1	ZINC000844819275	672204604	/nfs/dbraw/zinc/20/46/04/672204604.db2.gz	VHFBCIFJTFFWBH-UHFFFAOYSA-N	-1	0	308.359	0.758	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nscc1Br	ZINC000845545914	672259515	/nfs/dbraw/zinc/25/95/15/672259515.db2.gz	SVDUTSPBJXIFTR-UHFFFAOYSA-N	-1	0	323.193	0.989	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c(C)nn(CCOC)c1C	ZINC000846153173	672297843	/nfs/dbraw/zinc/29/78/43/672297843.db2.gz	HKCULNVKNXTMSQ-SECBINFHSA-N	-1	0	310.354	0.707	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCCC(N)=O)cc1	ZINC000846154853	672297891	/nfs/dbraw/zinc/29/78/91/672297891.db2.gz	QICPGLMNXKHEEC-JTQLQIEISA-N	-1	0	321.333	0.502	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O	ZINC000846155969	672298267	/nfs/dbraw/zinc/29/82/67/672298267.db2.gz	JKNQKTDGUJYAOG-MRVPVSSYSA-N	-1	0	321.308	0.672	20	30		DCEDRM
N#CC1(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCCC1	ZINC000846343795	672308489	/nfs/dbraw/zinc/30/84/89/672308489.db2.gz	JUYMDRSVFUOVQW-UHFFFAOYSA-N	-1	0	300.322	0.271	20	30		DCEDRM
CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820029410	685353031	/nfs/dbraw/zinc/35/30/31/685353031.db2.gz	AKEHZZNVLPPSTJ-OQPBUACISA-N	-1	0	313.310	0.157	20	30		DCEDRM
CC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000049460679	685059049	/nfs/dbraw/zinc/05/90/49/685059049.db2.gz	ZXIBAKMFRGETEX-SECBINFHSA-N	-1	0	303.340	0.194	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cc1	ZINC001015482712	692313166	/nfs/dbraw/zinc/31/31/66/692313166.db2.gz	POBOGAQNHLNCIW-ZDUSSCGKSA-N	-1	0	311.345	0.496	20	30		DCEDRM
C=C(Cl)CN1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001015809905	692452557	/nfs/dbraw/zinc/45/25/57/692452557.db2.gz	WSCJVBCOTMNXOH-SNVBAGLBSA-N	-1	0	321.768	0.579	20	30		DCEDRM
C=CCCN1CCO[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21	ZINC001074219066	694843280	/nfs/dbraw/zinc/84/32/80/694843280.db2.gz	JZGXSYHSXBZAOZ-STQMWFEESA-N	-1	0	320.393	0.915	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC001771691512	1157692697	/nfs/dbraw/zinc/69/26/97/1157692697.db2.gz	FBMQEEWTIWEBBT-UHFFFAOYSA-N	-1	0	309.347	0.174	20	30		DCEDRM
C#CCCCC(=O)N[C@@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001746134740	1158288646	/nfs/dbraw/zinc/28/86/46/1158288646.db2.gz	RXNJEAZNXIWDTC-NSHDSACASA-N	-1	0	306.366	0.852	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cnc(Cl)n1C)C(=O)[O-]	ZINC000776589668	1158920376	/nfs/dbraw/zinc/92/03/76/1158920376.db2.gz	WABCASUUFDIFCA-SSDOTTSWSA-N	-1	0	305.743	0.218	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c(=O)[n-]c1=O	ZINC001465142170	1159767438	/nfs/dbraw/zinc/76/74/38/1159767438.db2.gz	QOHFPAQFULQLOD-NTZNESFSSA-N	-1	0	316.361	0.906	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1	ZINC001567450276	1160371369	/nfs/dbraw/zinc/37/13/69/1160371369.db2.gz	BIISGQNFFWIIBO-NEPJUHHUSA-N	-1	0	321.381	0.182	20	30		DCEDRM
CN(C(=O)C#CC(C)(C)C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001567911617	1160532100	/nfs/dbraw/zinc/53/21/00/1160532100.db2.gz	PUQHTYUBFDYPPZ-NSHDSACASA-N	-1	0	305.382	0.593	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)c1cnc(C(=O)OC)cn1)C(=O)[O-]	ZINC001573308279	1161531750	/nfs/dbraw/zinc/53/17/50/1161531750.db2.gz	RMNIAOSWOSDYMV-ZETCQYMHSA-N	-1	0	313.697	0.589	20	30		DCEDRM
CC#CCCCC(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])C[C@@H]1C	ZINC001573384135	1163420130	/nfs/dbraw/zinc/42/01/30/1163420130.db2.gz	DDHIZRMLECDJOB-STQMWFEESA-N	-1	0	323.393	0.943	20	30		DCEDRM
C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)nc2)CC1	ZINC001574097470	1163635685	/nfs/dbraw/zinc/63/56/85/1163635685.db2.gz	NITMOKMEIXLNGJ-JOCHJYFZSA-N	-1	0	321.358	0.391	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)N[C@H](C)c1nc(C(=O)[O-])n[nH]1	ZINC001574128473	1163644877	/nfs/dbraw/zinc/64/48/77/1163644877.db2.gz	VVWQZZITFPTUGX-SSDOTTSWSA-N	-1	0	300.278	0.569	20	30		DCEDRM
N#CCc1cccc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)c1	ZINC001574241139	1163672294	/nfs/dbraw/zinc/67/22/94/1163672294.db2.gz	IDUKCQMTDGFCAI-STQMWFEESA-N	-1	0	303.318	0.453	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])s1	ZINC001574245696	1163673801	/nfs/dbraw/zinc/67/38/01/1163673801.db2.gz	YDUOJRVDWOTFRQ-JTQLQIEISA-N	-1	0	315.376	0.503	20	30		DCEDRM
N#Cc1ccc(CNC(=O)Nc2ncn(CC(=O)[O-])n2)s1	ZINC001574245527	1163673871	/nfs/dbraw/zinc/67/38/71/1163673871.db2.gz	QYMXDJCIQDMITA-UHFFFAOYSA-N	-1	0	306.307	0.618	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])CC2CC2)nc1	ZINC001574249401	1163674340	/nfs/dbraw/zinc/67/43/40/1163674340.db2.gz	HUKBIYOOUICHDW-UHFFFAOYSA-N	-1	0	309.347	0.829	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)cc1	ZINC001574249984	1163674715	/nfs/dbraw/zinc/67/47/15/1163674715.db2.gz	PWITYJUYWTWUOI-DGCLKSJQSA-N	-1	0	318.333	0.057	20	30		DCEDRM
C[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)C(=O)NC(C)(C)C	ZINC001575443739	1164016934	/nfs/dbraw/zinc/01/69/34/1164016934.db2.gz	IUWFVBJZBOOVNT-ZETCQYMHSA-N	-1	0	315.341	0.243	20	30		DCEDRM
CC1(C)CN(CC#N)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC001575712155	1164116354	/nfs/dbraw/zinc/11/63/54/1164116354.db2.gz	FDBQMGQDXQWTFF-LLVKDONJSA-N	-1	0	314.353	0.159	20	30		DCEDRM
C[C@@H]1Cc2n[nH]cc2CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001576386949	1164321766	/nfs/dbraw/zinc/32/17/66/1164321766.db2.gz	WPHAZAMWWDMXOM-MRVPVSSYSA-N	-1	0	322.336	0.450	20	30		DCEDRM
CCC[C@@]1(CO)CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001577387413	1164682890	/nfs/dbraw/zinc/68/28/90/1164682890.db2.gz	GMLAFSCPYOSDCA-CQSZACIVSA-N	-1	0	314.353	0.517	20	30		DCEDRM
CCn1cc([C@@H](C)Nc2cnc(C#N)c(-c3nnn[n-]3)n2)cn1	ZINC001578753900	1165096102	/nfs/dbraw/zinc/09/61/02/1165096102.db2.gz	VZWBPTNNBCQRJX-MRVPVSSYSA-N	-1	0	310.325	0.918	20	30		DCEDRM
N#CCC1(O)CN(C(=O)c2ccc3c(c2)[nH]cc3-c2nn[nH]n2)C1	ZINC001581858111	1165889565	/nfs/dbraw/zinc/88/95/65/1165889565.db2.gz	QTCRGDIXIVBOLG-UHFFFAOYSA-N	-1	0	323.316	0.449	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cccc3c2OCC3)[n-]c1-c1nn[nH]n1	ZINC001581860761	1165895320	/nfs/dbraw/zinc/89/53/20/1165895320.db2.gz	RQMIEWKJQQDXET-UHFFFAOYSA-N	-1	0	322.288	0.649	20	30		DCEDRM
N#Cc1ncn(CCNc2nc(-c3nnn[n-]3)c(Cl)s2)n1	ZINC001581885781	1165903722	/nfs/dbraw/zinc/90/37/22/1165903722.db2.gz	MPBPMFWAMNWBEE-UHFFFAOYSA-N	-1	0	322.745	0.552	20	30		DCEDRM
N#Cc1ncc(NC[C@@H]2CCC[C@H](O)C2)nc1-c1nnn[n-]1	ZINC001581884192	1165904773	/nfs/dbraw/zinc/90/47/73/1165904773.db2.gz	ONPNEMFVMXMMEF-BDAKNGLRSA-N	-1	0	300.326	0.491	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001582832189	1166105344	/nfs/dbraw/zinc/10/53/44/1166105344.db2.gz	JJAHMVZTSCDGRE-PSLIRLAXSA-N	-1	0	324.381	0.233	20	30		DCEDRM
CC#CCCCC(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001584926652	1166385844	/nfs/dbraw/zinc/38/58/44/1166385844.db2.gz	CHKXDPHFLYSBRF-UHFFFAOYSA-N	-1	0	318.377	0.996	20	30		DCEDRM
C#Cc1cccc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)c1	ZINC001588375012	1166549713	/nfs/dbraw/zinc/54/97/13/1166549713.db2.gz	AMIAAMOJAKUSNB-VIFPVBQESA-N	-1	0	308.305	0.639	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC001588428744	1166552678	/nfs/dbraw/zinc/55/26/78/1166552678.db2.gz	ZRMUNNZBPROZNU-JTQLQIEISA-N	-1	0	312.734	0.966	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-]	ZINC001588428743	1166553081	/nfs/dbraw/zinc/55/30/81/1166553081.db2.gz	ZQWLOFAYCFLFJU-QMMMGPOBSA-N	-1	0	322.264	0.855	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1ccc(C(=O)N(C)C)cc1	ZINC001588419759	1166553998	/nfs/dbraw/zinc/55/39/98/1166553998.db2.gz	DEDYTBVTFSHQNB-UHFFFAOYSA-N	-1	0	317.345	0.347	20	30		DCEDRM
C=C[C@H](CO)N[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O	ZINC001588727616	1166582980	/nfs/dbraw/zinc/58/29/80/1166582980.db2.gz	FCLKWGVTAMFNHV-SCZZXKLOSA-N	-1	0	320.378	0.170	20	30		DCEDRM
CC#CCCCCOC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588745686	1166585055	/nfs/dbraw/zinc/58/50/55/1166585055.db2.gz	BCDKBLAMFLFSSX-SNVBAGLBSA-N	-1	0	303.326	0.756	20	30		DCEDRM
C[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1cccc(O)c1	ZINC001589025297	1166628648	/nfs/dbraw/zinc/62/86/48/1166628648.db2.gz	PUTHTFIRSSFEBP-ZETCQYMHSA-N	-1	0	324.304	0.909	20	30		DCEDRM
C[C@H](C(=O)Oc1ccc(C#N)cc1)n1cnc(-c2nnn[n-]2)n1	ZINC001589033492	1166630829	/nfs/dbraw/zinc/63/08/29/1166630829.db2.gz	YBDLQERSXVXZBD-MRVPVSSYSA-N	-1	0	310.277	0.496	20	30		DCEDRM
CC[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)[C@H](O)C(C)C	ZINC001590473826	1166920114	/nfs/dbraw/zinc/92/01/14/1166920114.db2.gz	SPCXPCJVLKWUDP-PRHODGIISA-N	-1	0	302.342	0.736	20	30		DCEDRM
CC[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCCO1	ZINC001590525566	1166932769	/nfs/dbraw/zinc/93/27/69/1166932769.db2.gz	WZIBWRLEVNOCOF-SECBINFHSA-N	-1	0	300.326	0.534	20	30		DCEDRM
CCC[C@H](C)[C@@H](CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590548212	1166942945	/nfs/dbraw/zinc/94/29/45/1166942945.db2.gz	PGXGZQSSULBRMN-WCBMZHEXSA-N	-1	0	302.342	0.737	20	30		DCEDRM
CCCn1c(C)nnc1Cn1c(C)nc(-c2nnn[n-]2)c1C#N	ZINC001590662273	1166961555	/nfs/dbraw/zinc/96/15/55/1166961555.db2.gz	MKTPPXIXJABOGD-UHFFFAOYSA-N	-1	0	312.341	0.602	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)Cn1cccc(-c2nnn[n-]2)c1=O	ZINC001590682157	1166970518	/nfs/dbraw/zinc/97/05/18/1166970518.db2.gz	DLTHUSSBGWFWQM-SNVBAGLBSA-N	-1	0	315.337	0.037	20	30		DCEDRM
CN(CC1CCOCC1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001591064657	1167098465	/nfs/dbraw/zinc/09/84/65/1167098465.db2.gz	UGQIGTGCTCYSFW-UHFFFAOYSA-N	-1	0	300.326	0.391	20	30		DCEDRM
COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CC2(CC#N)CC2)c1	ZINC001591286389	1167200775	/nfs/dbraw/zinc/20/07/75/1167200775.db2.gz	FLQQXOVQMBEHGN-UHFFFAOYSA-N	-1	0	314.305	0.509	20	30		DCEDRM
COC[C@@]1(C)CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001591386485	1167254045	/nfs/dbraw/zinc/25/40/45/1167254045.db2.gz	MTMKSGOZYYJOEC-ZDUSSCGKSA-N	-1	0	300.326	0.391	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1nnnn1C(C)(C)C	ZINC001592335790	1167492578	/nfs/dbraw/zinc/49/25/78/1167492578.db2.gz	IPLMHGDVJANVTR-UHFFFAOYSA-N	-1	0	313.329	0.033	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@H](c3cc[nH]n3)C2)nc1-c1nnn[n-]1	ZINC001592708441	1167606963	/nfs/dbraw/zinc/60/69/63/1167606963.db2.gz	RHWRYORWOYPJNF-VIFPVBQESA-N	-1	0	322.336	0.635	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001600075937	1168112534	/nfs/dbraw/zinc/11/25/34/1168112534.db2.gz	FPKCTIFKRDAQMB-YPMHNXCESA-N	-1	0	324.358	0.465	20	30		DCEDRM
Cc1cc(NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c(C#N)cn1	ZINC001600280201	1168153895	/nfs/dbraw/zinc/15/38/95/1168153895.db2.gz	ZIRFAJCRWQAKRB-NEPJUHHUSA-N	-1	0	314.345	0.465	20	30		DCEDRM
Cc1nccnc1CCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001600756102	1168278896	/nfs/dbraw/zinc/27/88/96/1168278896.db2.gz	PBXOTTYPIHBFGB-UHFFFAOYSA-N	-1	0	317.349	0.728	20	30		DCEDRM
Cn1ccc([C@H](NC(=O)CNc2ccc(C#N)cc2)C(=O)[O-])n1	ZINC001600992502	1168549913	/nfs/dbraw/zinc/54/99/13/1168549913.db2.gz	ZDNMRMKJQJDEBJ-AWEZNQCLSA-N	-1	0	313.317	0.646	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)CC1	ZINC001601051289	1168577517	/nfs/dbraw/zinc/57/75/17/1168577517.db2.gz	JRFSOPJYJQIABM-NWDGAFQWSA-N	-1	0	307.350	0.954	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1	ZINC001601052278	1168577749	/nfs/dbraw/zinc/57/77/49/1168577749.db2.gz	PANWCQRANKPFAZ-UHFFFAOYSA-N	-1	0	319.277	0.634	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1	ZINC001601049701	1168577807	/nfs/dbraw/zinc/57/78/07/1168577807.db2.gz	UQMVZRKASYYJQR-MNOVXSKESA-N	-1	0	323.349	0.016	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCc3[nH]cnc3C2)CC1	ZINC001601051871	1168577909	/nfs/dbraw/zinc/57/79/09/1168577909.db2.gz	WIWQFGQUVMKHEG-JTQLQIEISA-N	-1	0	317.349	0.667	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)c2ccc3n[nH]nc3n2)CC1	ZINC001601055698	1168578179	/nfs/dbraw/zinc/57/81/79/1168578179.db2.gz	WQIPGVQORSZUFO-UHFFFAOYSA-N	-1	0	300.278	0.183	20	30		DCEDRM
N#CC1(N(C(=O)Cn2cccc(C(=O)[O-])c2=O)C2CC2)CCC1	ZINC001601057438	1168578555	/nfs/dbraw/zinc/57/85/55/1168578555.db2.gz	YWVKQNCXYSJTBY-UHFFFAOYSA-N	-1	0	315.329	0.984	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CCN1Cc1ccccc1	ZINC001601061422	1168578916	/nfs/dbraw/zinc/57/89/16/1168578916.db2.gz	ZLNJRMBUIWFXDS-SOUVJXGZSA-N	-1	0	313.357	0.944	20	30		DCEDRM
N#CC[C@H](NC(=O)N[C@]1(CC(=O)[O-])CCOC1)C(F)(F)F	ZINC001601062113	1168579248	/nfs/dbraw/zinc/57/92/48/1168579248.db2.gz	MROAKSHDHIQXEF-XVKPBYJWSA-N	-1	0	309.244	0.764	20	30		DCEDRM
N#CC[C@]1(O)CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1	ZINC001601062786	1168579854	/nfs/dbraw/zinc/57/98/54/1168579854.db2.gz	MPJAVXXQPGYGBA-HNNXBMFYSA-N	-1	0	303.318	0.674	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)c2occc2C(=O)[O-])C1	ZINC001601063440	1168579856	/nfs/dbraw/zinc/57/98/56/1168579856.db2.gz	VNLZINUSMOELFE-NSHDSACASA-N	-1	0	300.292	0.017	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)CCO1	ZINC001601062524	1168579960	/nfs/dbraw/zinc/57/99/60/1168579960.db2.gz	HTPSQVYCBIXIAB-JTQLQIEISA-N	-1	0	302.352	0.186	20	30		DCEDRM
N#CCCN1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1	ZINC001601067752	1168580365	/nfs/dbraw/zinc/58/03/65/1168580365.db2.gz	KULKEUHGXLJBPO-QWHCGFSZSA-N	-1	0	309.366	0.314	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)CSc1nc(C(=O)[O-])c[nH]1	ZINC001601066941	1168580607	/nfs/dbraw/zinc/58/06/07/1168580607.db2.gz	NXIDVVKIHPWQLU-UHFFFAOYSA-N	-1	0	307.335	0.856	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@H]1COc2ccc(O)cc2O1	ZINC001601071173	1168580854	/nfs/dbraw/zinc/58/08/54/1168580854.db2.gz	USNBOSWHXFOVPM-GFCCVEGCSA-N	-1	0	306.274	0.359	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC001601070851	1168580878	/nfs/dbraw/zinc/58/08/78/1168580878.db2.gz	XHWQETKLYVJHRX-UHFFFAOYSA-N	-1	0	321.245	0.764	20	30		DCEDRM
N#CCN1CCC(N2C(=O)[C@H]3CC[C@H](C(=O)[O-])CN3C2=O)CC1	ZINC001601073479	1168581979	/nfs/dbraw/zinc/58/19/79/1168581979.db2.gz	XJFRZLWVHCFJMJ-CMPLNLGQSA-N	-1	0	320.349	0.102	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC001601075492	1168582593	/nfs/dbraw/zinc/58/25/93/1168582593.db2.gz	IPIPHCMPYPJJNA-LLVKDONJSA-N	-1	0	304.302	0.905	20	30		DCEDRM
N#Cc1c2ccccc2[nH]c1C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001601081223	1168582733	/nfs/dbraw/zinc/58/27/33/1168582733.db2.gz	IPZOVKIJNZYZBJ-UHFFFAOYSA-N	-1	0	312.329	0.882	20	30		DCEDRM
N#CCn1cc(NC(=O)C(=O)Nc2sccc2C(=O)[O-])cn1	ZINC001601079255	1168582762	/nfs/dbraw/zinc/58/27/62/1168582762.db2.gz	SEMKFJQMJCIPKN-UHFFFAOYSA-N	-1	0	319.302	0.744	20	30		DCEDRM
N#Cc1c(COC(=O)[C@@H]2CCC(=O)NC2)cccc1C(=O)[O-]	ZINC001601083886	1168583474	/nfs/dbraw/zinc/58/34/74/1168583474.db2.gz	WUTJAPZJDHKLDX-SECBINFHSA-N	-1	0	302.286	0.826	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(C[C@@H]2CC3(CCC3)C(=O)O2)c1=O	ZINC001601086894	1168583594	/nfs/dbraw/zinc/58/35/94/1168583594.db2.gz	AQTXSHOKHRJUOO-NSHDSACASA-N	-1	0	302.286	0.904	20	30		DCEDRM
N#Cc1c(COC(=O)C2(S(N)(=O)=O)CC2)cccc1C(=O)[O-]	ZINC001601083740	1168583699	/nfs/dbraw/zinc/58/36/99/1168583699.db2.gz	POLJROJRMQAYIF-UHFFFAOYSA-N	-1	0	324.314	0.121	20	30		DCEDRM
N#Cc1ccc(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)nc1	ZINC001601094511	1168584542	/nfs/dbraw/zinc/58/45/42/1168584542.db2.gz	MLSWZEHKEWUKJN-LBPRGKRZSA-N	-1	0	317.301	0.576	20	30		DCEDRM
N#Cc1ccc(CC(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cn1	ZINC001601097592	1168584588	/nfs/dbraw/zinc/58/45/88/1168584588.db2.gz	BAVXKNDFEUIMPT-CQSZACIVSA-N	-1	0	317.345	0.978	20	30		DCEDRM
N#Cc1ccc(CNC(=O)COC(=O)C2(C(=O)[O-])CC2)cc1	ZINC001601099570	1168584645	/nfs/dbraw/zinc/58/46/45/1168584645.db2.gz	CDNZEMFNERXGPF-UHFFFAOYSA-N	-1	0	302.286	0.582	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cc1	ZINC001601096805	1168584701	/nfs/dbraw/zinc/58/47/01/1168584701.db2.gz	MUNNFNUJSSGDRQ-QWRGUYRKSA-N	-1	0	310.256	0.912	20	30		DCEDRM
N#Cc1ccc(CSCC(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1	ZINC001601103228	1168585698	/nfs/dbraw/zinc/58/56/98/1168585698.db2.gz	JQSWBLXPUWYHCR-OAHLLOKOSA-N	-1	0	320.370	0.839	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(F)c1	ZINC001601103701	1168585769	/nfs/dbraw/zinc/58/57/69/1168585769.db2.gz	XJEKZNXIYKJHCU-XYPYZODXSA-N	-1	0	312.322	0.980	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NCc2ccc(C(=O)[O-])o2)nc1	ZINC001601108492	1168585989	/nfs/dbraw/zinc/58/59/89/1168585989.db2.gz	PDKAGMANNZYWJW-UHFFFAOYSA-N	-1	0	300.274	0.973	20	30		DCEDRM
N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cn1	ZINC001601107813	1168586287	/nfs/dbraw/zinc/58/62/87/1168586287.db2.gz	LOCOFRBNPIQAJL-DKZVVXNFSA-N	-1	0	300.318	0.758	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])cc1	ZINC001601108123	1168586328	/nfs/dbraw/zinc/58/63/28/1168586328.db2.gz	BVTCATYJMDKELF-ZDUSSCGKSA-N	-1	0	313.317	0.436	20	30		DCEDRM
N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nc1	ZINC001601108050	1168586501	/nfs/dbraw/zinc/58/65/01/1168586501.db2.gz	YUWUIBPNJUZFTA-FDYHWXHSSA-N	-1	0	314.345	0.981	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCCOC2)c1	ZINC001601121113	1168587973	/nfs/dbraw/zinc/58/79/73/1168587973.db2.gz	DDEGCRPXZGKYHS-AWEZNQCLSA-N	-1	0	324.358	0.860	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCCOC2)c1	ZINC001601121114	1168588132	/nfs/dbraw/zinc/58/81/32/1168588132.db2.gz	DDEGCRPXZGKYHS-CQSZACIVSA-N	-1	0	324.358	0.860	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CN2CCC[C@@H](O)[C@H]2C(=O)[O-])c1	ZINC001601123016	1168588641	/nfs/dbraw/zinc/58/86/41/1168588641.db2.gz	VTIHEQWEBVPOKE-HIFRSBDPSA-N	-1	0	317.345	0.084	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CN1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001601129799	1168591231	/nfs/dbraw/zinc/59/12/31/1168591231.db2.gz	TYQJELRBIPKFPD-ONGXEEELSA-N	-1	0	309.347	0.468	20	30		DCEDRM
N#Cc1nc(N(CCN2CCOCC2)CC(=O)[O-])ccc1Cl	ZINC001601134658	1168593448	/nfs/dbraw/zinc/59/34/48/1168593448.db2.gz	WLPRWMSPHPXWFS-UHFFFAOYSA-N	-1	0	324.768	0.830	20	30		DCEDRM
O=C([O-])c1ncoc1CCC(=O)NCC#C[C@H]1CCCCO1	ZINC001601298542	1168694558	/nfs/dbraw/zinc/69/45/58/1168694558.db2.gz	UOVIGIYWVTZMNU-LLVKDONJSA-N	-1	0	306.318	0.994	20	30		DCEDRM
O=C([O-])Cn1cc(CCOC(=O)CC#Cc2ccccc2)nn1	ZINC001602160392	1169008744	/nfs/dbraw/zinc/00/87/44/1169008744.db2.gz	CRBXDLGMCRCYEW-UHFFFAOYSA-N	-1	0	313.313	0.890	20	30		DCEDRM
O=C([O-])c1cc(C=Nn2ccc(=O)[nH]c2=O)n2c1CCCC2	ZINC001602257676	1169045970	/nfs/dbraw/zinc/04/59/70/1169045970.db2.gz	YAOCUBKIRIHBEX-UHFFFAOYSA-N	-1	0	302.290	0.667	20	30		DCEDRM
O=C([O-])c1ccc(S(=O)(=O)O[C@H]2CNOC2)c(Cl)c1	ZINC001602402708	1169073052	/nfs/dbraw/zinc/07/30/52/1169073052.db2.gz	QFYZCRJIPRVNIV-ZETCQYMHSA-N	-1	0	307.711	0.647	20	30		DCEDRM
C#CCCCCNC(=O)C(=O)NCc1cc(C(=O)[O-])c(C)o1	ZINC001602705462	1169166608	/nfs/dbraw/zinc/16/66/08/1169166608.db2.gz	YQUUAFZKXOIZAN-UHFFFAOYSA-N	-1	0	306.318	0.822	20	30		DCEDRM
C#CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1CCCC1	ZINC001602711629	1169166833	/nfs/dbraw/zinc/16/68/33/1169166833.db2.gz	LTFDEVOQTNRKHZ-QWRGUYRKSA-N	-1	0	309.366	0.552	20	30		DCEDRM
C#CCN(CC(=O)N1CC2CC1(C(=O)[O-])C2)C(=O)OC(C)(C)C	ZINC001602715482	1169168459	/nfs/dbraw/zinc/16/84/59/1169168459.db2.gz	IUAXWORTEXYHBX-UHFFFAOYSA-N	-1	0	322.361	0.932	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC001602715716	1169168649	/nfs/dbraw/zinc/16/86/49/1169168649.db2.gz	OTEAXAUTOBGXEX-UHFFFAOYSA-N	-1	0	313.722	0.581	20	30		DCEDRM
C#CCN1CCC[C@@H](NS(=O)(=O)c2ccccc2C(=O)[O-])C1	ZINC001602720357	1169170726	/nfs/dbraw/zinc/17/07/26/1169170726.db2.gz	OTTAZLMUGVDBGZ-GFCCVEGCSA-N	-1	0	322.386	0.761	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1CC(=O)Nc2cc(C(=O)[O-])ccc21	ZINC001602726903	1169174836	/nfs/dbraw/zinc/17/48/36/1169174836.db2.gz	WGVUWYKZJWSYIB-SECBINFHSA-N	-1	0	302.286	0.708	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC001602749157	1169177583	/nfs/dbraw/zinc/17/75/83/1169177583.db2.gz	POCTUEQNNJTTIM-NXEZZACHSA-N	-1	0	304.368	0.234	20	30		DCEDRM
C#Cc1cncc(C(=O)N2C[C@H](C(=O)OC)CC[C@H]2C(=O)[O-])c1	ZINC001602743410	1169178009	/nfs/dbraw/zinc/17/80/09/1169178009.db2.gz	OMJBURJEPMMPKU-YPMHNXCESA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC001602746619	1169178404	/nfs/dbraw/zinc/17/84/04/1169178404.db2.gz	DQVBNCQDCUKEAL-WDEREUQCSA-N	-1	0	303.380	0.689	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1O	ZINC001602758019	1169179096	/nfs/dbraw/zinc/17/90/96/1169179096.db2.gz	ZZAZDYUSAPNFIN-GHMZBOCLSA-N	-1	0	320.349	0.197	20	30		DCEDRM
C=C(C)Cn1c([C@H](C)CO)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001602766143	1169180663	/nfs/dbraw/zinc/18/06/63/1169180663.db2.gz	WITZZBMLELRFJJ-NEPJUHHUSA-N	-1	0	324.381	0.630	20	30		DCEDRM
C=C(C)Cn1c([C@@H](C)CO)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001602765734	1169181707	/nfs/dbraw/zinc/18/17/07/1169181707.db2.gz	HXYNRTDTLBRUSM-XHDPSFHLSA-N	-1	0	324.381	0.630	20	30		DCEDRM
C=C(C)Cn1c(C[C@@H](C)O)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001602771057	1169182572	/nfs/dbraw/zinc/18/25/72/1169182572.db2.gz	IVODDSRGYDUQAR-NEPJUHHUSA-N	-1	0	324.381	0.457	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C(=O)OCC)[C@H]1CCCOC1	ZINC001602777666	1169183028	/nfs/dbraw/zinc/18/30/28/1169183028.db2.gz	APVZMZXTFKICAG-AAEUAGOBSA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC(C)(C)c1noc(CN(C)C)n1	ZINC001602778275	1169183315	/nfs/dbraw/zinc/18/33/15/1169183315.db2.gz	MYSKPVUSHUCOCI-UHFFFAOYSA-N	-1	0	310.354	0.904	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)C1	ZINC001602791469	1169184820	/nfs/dbraw/zinc/18/48/20/1169184820.db2.gz	QQYFTFSJSIDYLS-RYUDHWBXSA-N	-1	0	306.362	0.733	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCCCN(C)c1ncc(C(=O)[O-])cn1	ZINC001602810207	1169186659	/nfs/dbraw/zinc/18/66/59/1169186659.db2.gz	VCRGJCBPNBSXGR-HNNXBMFYSA-N	-1	0	322.365	0.444	20	30		DCEDRM
C=C[C@H](COC)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC001602816795	1169188943	/nfs/dbraw/zinc/18/89/43/1169188943.db2.gz	QDUJPAUMSHAHFK-SECBINFHSA-N	-1	0	315.347	0.873	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001602842173	1169189779	/nfs/dbraw/zinc/18/97/79/1169189779.db2.gz	FITXEIJDVAGFSE-VIFPVBQESA-N	-1	0	302.352	0.186	20	30		DCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	ZINC001602855569	1169192066	/nfs/dbraw/zinc/19/20/66/1169192066.db2.gz	UQTDMEQBYDZODG-BUWBCJGYSA-N	-1	0	306.362	0.781	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F)C(=O)[O-]	ZINC001602845943	1169192395	/nfs/dbraw/zinc/19/23/95/1169192395.db2.gz	ZIROINNXQUAWCT-PRJMDXOYSA-N	-1	0	309.240	0.874	20	30		DCEDRM
C=CCN(CC=C)C(=O)Cn1ccc(-c2nnn[n-]2)cc1=O	ZINC001602850720	1169192470	/nfs/dbraw/zinc/19/24/70/1169192470.db2.gz	SVCCURLHXPHLNQ-UHFFFAOYSA-N	-1	0	300.322	0.229	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1cn(C[C@H]2CCOC2)nn1)C(=O)[O-]	ZINC001602872205	1169195575	/nfs/dbraw/zinc/19/55/75/1169195575.db2.gz	QYEKJXLBVOFDGE-NEPJUHHUSA-N	-1	0	322.365	0.854	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-]	ZINC001602863917	1169196929	/nfs/dbraw/zinc/19/69/29/1169196929.db2.gz	VIQTULIDNRIZEO-GHMZBOCLSA-N	-1	0	303.380	0.737	20	30		DCEDRM
C=CCN(C(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)C(C)C	ZINC001602884672	1169198157	/nfs/dbraw/zinc/19/81/57/1169198157.db2.gz	NIIYBUFDHWFVIJ-OAHLLOKOSA-N	-1	0	323.349	0.241	20	30		DCEDRM
C=CCN(C(=O)c1cc(C(=O)[O-])on1)[C@H]1CCS(=O)(=O)C1	ZINC001602887183	1169198193	/nfs/dbraw/zinc/19/81/93/1169198193.db2.gz	LCFDTHCOHDZSMN-QMMMGPOBSA-N	-1	0	314.319	0.188	20	30		DCEDRM
C=CCCCNC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC001602874916	1169198678	/nfs/dbraw/zinc/19/86/78/1169198678.db2.gz	JOBIBLSSPKWQSI-LBPRGKRZSA-N	-1	0	311.382	0.076	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2cc(C(=O)[O-])c(C)[nH]2)CC1	ZINC001602901729	1169201294	/nfs/dbraw/zinc/20/12/94/1169201294.db2.gz	UHJPMJQEGYPQGQ-UHFFFAOYSA-N	-1	0	320.393	0.441	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001602909602	1169203445	/nfs/dbraw/zinc/20/34/45/1169203445.db2.gz	AFNUKPFUSWENCN-CHWSQXEVSA-N	-1	0	304.302	0.364	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-]	ZINC001602913544	1169204726	/nfs/dbraw/zinc/20/47/26/1169204726.db2.gz	VEXHMDQMLKLXKT-LBPRGKRZSA-N	-1	0	317.305	0.048	20	30		DCEDRM
C=CCOC[C@@H]1NC(=O)N(c2ccc(CC(=O)[O-])cc2)C1=O	ZINC001602915026	1169204837	/nfs/dbraw/zinc/20/48/37/1169204837.db2.gz	AWXFAGURWLZHEL-LBPRGKRZSA-N	-1	0	304.302	0.941	20	30		DCEDRM
C=CCn1c([C@@H](O)CC)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001602932099	1169210494	/nfs/dbraw/zinc/21/04/94/1169210494.db2.gz	JRECUZQAKYYWLK-MNOVXSKESA-N	-1	0	310.354	0.587	20	30		DCEDRM
C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001602932118	1169211114	/nfs/dbraw/zinc/21/11/14/1169211114.db2.gz	JYJMKYJIXHULQR-RYUDHWBXSA-N	-1	0	322.365	0.853	20	30		DCEDRM
C=CCn1c(C[S@@](C)=O)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001602935582	1169213042	/nfs/dbraw/zinc/21/30/42/1169213042.db2.gz	PVDYINGAVWWDID-FDXSBTRWSA-N	-1	0	312.395	0.500	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O	ZINC001602942275	1169214315	/nfs/dbraw/zinc/21/43/15/1169214315.db2.gz	YMHSAHGLFHKZFK-RHYQMDGZSA-N	-1	0	308.334	0.705	20	30		DCEDRM
C[C@H](C#N)C(=O)NCC1(Nc2ncccc2-c2nn[nH]n2)CC1	ZINC001602983188	1169223644	/nfs/dbraw/zinc/22/36/44/1169223644.db2.gz	GAXLZMLINQIHJR-SECBINFHSA-N	-1	0	312.337	0.482	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@H](Nc1ncc(C(=O)[O-])cn1)C1CC1	ZINC001603129945	1169249898	/nfs/dbraw/zinc/24/98/98/1169249898.db2.gz	PORURHZFHVEXIM-KWQFWETISA-N	-1	0	303.322	0.641	20	30		DCEDRM
C[C@H](C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001603156166	1169258944	/nfs/dbraw/zinc/25/89/44/1169258944.db2.gz	OCVHLBMMULXOIV-RULNRJAQSA-N	-1	0	305.338	0.860	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001603295564	1169289126	/nfs/dbraw/zinc/28/91/26/1169289126.db2.gz	CITNLQQBTFYJNQ-WDEREUQCSA-N	-1	0	306.362	0.522	20	30		DCEDRM
CC(C)Cc1noc(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)n1	ZINC001603310997	1169290109	/nfs/dbraw/zinc/29/01/09/1169290109.db2.gz	MFLCLXMCNCUUHB-UHFFFAOYSA-N	-1	0	314.313	0.147	20	30		DCEDRM
CC(C)(CNN=Cc1cccn1CC(=O)[O-])S(C)(=O)=O	ZINC001603644482	1169342998	/nfs/dbraw/zinc/34/29/98/1169342998.db2.gz	AGIYWJCETUJIKX-UHFFFAOYSA-N	-1	0	301.368	0.319	20	30		DCEDRM
CC(C)C#CC(=O)NCCCN(C)c1ncc(C(=O)[O-])cn1	ZINC001603699724	1169365628	/nfs/dbraw/zinc/36/56/28/1169365628.db2.gz	ATWGMCRLCXQBKA-UHFFFAOYSA-N	-1	0	304.350	0.777	20	30		DCEDRM
C[C@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)CSCC#N	ZINC001604159488	1169508842	/nfs/dbraw/zinc/50/88/42/1169508842.db2.gz	URZWYZLWLIWYHL-SECBINFHSA-N	-1	0	323.378	0.372	20	30		DCEDRM
C[C@](CO)(NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001604193014	1169520157	/nfs/dbraw/zinc/52/01/57/1169520157.db2.gz	BFXQGCHGTSNAGH-CQSZACIVSA-N	-1	0	308.359	0.743	20	30		DCEDRM
C[C@](NC(=O)CCNC(=O)C1N=CC=CC1=O)(C(=O)[O-])C1CC1	ZINC001604269956	1169541860	/nfs/dbraw/zinc/54/18/60/1169541860.db2.gz	UDBOURPBQFXQGC-RDRICISKSA-N	-1	0	321.333	0.272	20	30		DCEDRM
C[C@H](OC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)C(=O)[O-]	ZINC001604416757	1169588756	/nfs/dbraw/zinc/58/87/56/1169588756.db2.gz	VKRMFGZKFAVLOW-VIFPVBQESA-N	-1	0	313.269	0.943	20	30		DCEDRM
CCOC[C@H]1CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001604421649	1169589858	/nfs/dbraw/zinc/58/98/58/1169589858.db2.gz	ZNDVAMDDKXGCOR-JTQLQIEISA-N	-1	0	314.353	0.781	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCC[C@](C)(C#N)C1	ZINC001604625488	1169635865	/nfs/dbraw/zinc/63/58/65/1169635865.db2.gz	YKTDTGSOLUXNET-JRPNMDOOSA-N	-1	0	307.350	0.460	20	30		DCEDRM
CC[C@H](C(=O)[O-])C(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC001604872069	1169722328	/nfs/dbraw/zinc/72/23/28/1169722328.db2.gz	UWXAVASAGAJSBM-LBPRGKRZSA-N	-1	0	302.334	0.713	20	30		DCEDRM
CC[C@@H](C(=O)[O-])C(=O)N1CCN(c2cnccc2C#N)CC1	ZINC001604870901	1169722470	/nfs/dbraw/zinc/72/24/70/1169722470.db2.gz	AHWXBWSAGPURJH-GFCCVEGCSA-N	-1	0	302.334	0.713	20	30		DCEDRM
CCNC(=O)N1CC[C@@H](Nc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001605495044	1169938611	/nfs/dbraw/zinc/93/86/11/1169938611.db2.gz	MNIBERLOFUUPCT-SECBINFHSA-N	-1	0	303.322	0.867	20	30		DCEDRM
CN(C)C(=O)Cn1cc(Nc2ccc(C(=O)[O-])nc2C#N)cn1	ZINC001606000530	1170043986	/nfs/dbraw/zinc/04/39/86/1170043986.db2.gz	VZAOWFYLMAFFMR-UHFFFAOYSA-N	-1	0	314.305	0.680	20	30		DCEDRM
CN(CCCNc1ccc(C#N)nc1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001606122818	1170084393	/nfs/dbraw/zinc/08/43/93/1170084393.db2.gz	YCFXOVTUPHCDKO-CHWSQXEVSA-N	-1	0	302.334	0.934	20	30		DCEDRM
Cc1oc(-c2nn[nH]n2)cc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC001606165507	1170098205	/nfs/dbraw/zinc/09/82/05/1170098205.db2.gz	WGPWNTHOJDBQPC-VIFPVBQESA-N	-1	0	302.294	0.615	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2cc(C#N)cs2)C[C@H]1C(=O)[O-]	ZINC001606420562	1170193951	/nfs/dbraw/zinc/19/39/51/1170193951.db2.gz	IPZXDJQYIWJCCO-RKDXNWHRSA-N	-1	0	308.315	0.566	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)C[C@H]1C(=O)[O-]	ZINC001606431285	1170198713	/nfs/dbraw/zinc/19/87/13/1170198713.db2.gz	JJBUVXZYDKYWTC-GHMZBOCLSA-N	-1	0	319.273	0.776	20	30		DCEDRM
CS(=O)(=O)N[C@H]1CCCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001607374489	1170441364	/nfs/dbraw/zinc/44/13/64/1170441364.db2.gz	DLYGFJUINIMKGE-VIFPVBQESA-N	-1	0	324.362	0.169	20	30		DCEDRM
Cc1cc(F)c(C#N)cc1NC(=O)NCC(=O)NCC(=O)[O-]	ZINC001607658396	1170489976	/nfs/dbraw/zinc/48/99/76/1170489976.db2.gz	BLRVOHKWNNRGSK-UHFFFAOYSA-N	-1	0	308.269	0.328	20	30		DCEDRM
Cc1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C#N	ZINC001607782051	1170506325	/nfs/dbraw/zinc/50/63/25/1170506325.db2.gz	BCZLZLPLYVNHMT-CYBMUJFWSA-N	-1	0	303.318	0.862	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)C1	ZINC001608179689	1170610468	/nfs/dbraw/zinc/61/04/68/1170610468.db2.gz	MTRBCTDCVNQRJI-UHFFFAOYSA-N	-1	0	306.343	0.947	20	30		DCEDRM
N#C[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1	ZINC001608178386	1170610548	/nfs/dbraw/zinc/61/05/48/1170610548.db2.gz	JYYKGRZLHYEWCE-LBELIVKGSA-N	-1	0	319.361	0.364	20	30		DCEDRM
N#CCC1(CNC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1	ZINC001608178430	1170610641	/nfs/dbraw/zinc/61/06/41/1170610641.db2.gz	OEDAYMBFVSZCGW-JTQLQIEISA-N	-1	0	318.337	0.627	20	30		DCEDRM
N#CC1(NC(=O)COC(=O)c2cncc(C(=O)[O-])c2)CCC1	ZINC001608176774	1170610924	/nfs/dbraw/zinc/61/09/24/1170610924.db2.gz	DBIBLPOWCSEVHH-UHFFFAOYSA-N	-1	0	303.274	0.499	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1	ZINC001608186338	1170612363	/nfs/dbraw/zinc/61/23/63/1170612363.db2.gz	LBWARUBZPGKXSG-NEPJUHHUSA-N	-1	0	316.379	0.574	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cc1	ZINC001608189865	1170612488	/nfs/dbraw/zinc/61/24/88/1170612488.db2.gz	QDJILDXPVGAQNZ-LLVKDONJSA-N	-1	0	300.311	0.844	20	30		DCEDRM
N#Cc1c(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)ncc2c1COCC2	ZINC001608193581	1170613527	/nfs/dbraw/zinc/61/35/27/1170613527.db2.gz	BHRXUBHELKIRPN-NEPJUHHUSA-N	-1	0	317.301	0.597	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CC(=O)OCC(F)(F)F)c1=O	ZINC001608196298	1170614100	/nfs/dbraw/zinc/61/41/00/1170614100.db2.gz	STWWFYJSOKTPSY-UHFFFAOYSA-N	-1	0	304.180	0.524	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)cn1	ZINC001608211601	1170615934	/nfs/dbraw/zinc/61/59/34/1170615934.db2.gz	BLWKEDSOZRDVBZ-IUCAKERBSA-N	-1	0	317.273	0.197	20	30		DCEDRM
N#Cc1cccc(-c2c[nH]c(CNC(=O)COCC(=O)[O-])n2)c1	ZINC001608214043	1170617263	/nfs/dbraw/zinc/61/72/63/1170617263.db2.gz	BVLPETSGZVXMLR-UHFFFAOYSA-N	-1	0	314.301	0.666	20	30		DCEDRM
N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])c1	ZINC001608217678	1170617409	/nfs/dbraw/zinc/61/74/09/1170617409.db2.gz	ODISMFIBRHWAMU-ZDUSSCGKSA-N	-1	0	315.329	0.640	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)C2(C(N)=O)CCC2)C(=O)[O-])c1	ZINC001608216561	1170617560	/nfs/dbraw/zinc/61/75/60/1170617560.db2.gz	NAEBVASPKFRTAW-NSHDSACASA-N	-1	0	302.286	0.883	20	30		DCEDRM
O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCC#Cc2ccccc2)C1	ZINC001608603470	1170714356	/nfs/dbraw/zinc/71/43/56/1170714356.db2.gz	XVRJUMVZIKHEGY-KGLIPLIRSA-N	-1	0	302.330	0.515	20	30		DCEDRM
O=C([O-])c1ccc(C(=O)N=C2NS(=O)(=O)c3ccccc32)[nH]1	ZINC001608874091	1170767524	/nfs/dbraw/zinc/76/75/24/1170767524.db2.gz	QTOWZJLUWVHXSN-UHFFFAOYSA-N	-1	0	319.298	0.592	20	30		DCEDRM
C#C[C@H](C)N(C)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC001609018908	1170785104	/nfs/dbraw/zinc/78/51/04/1170785104.db2.gz	IYMUHUVTMZVYJC-NSHDSACASA-N	-1	0	319.390	0.594	20	30		DCEDRM
C#CCCCCNC(=O)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC001609106921	1170811218	/nfs/dbraw/zinc/81/12/18/1170811218.db2.gz	YORUOLZKZPCBBF-VIFPVBQESA-N	-1	0	323.374	0.938	20	30		DCEDRM
C#CCCS(=O)(=O)NC1(C(=O)OC)CCC(C(=O)[O-])CC1	ZINC001609137340	1170824541	/nfs/dbraw/zinc/82/45/41/1170824541.db2.gz	NJOFYTRQYRQHJB-UHFFFAOYSA-N	-1	0	317.363	0.116	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1	ZINC001609137412	1170824833	/nfs/dbraw/zinc/82/48/33/1170824833.db2.gz	RXJVUVWYEKAIET-UHFFFAOYSA-N	-1	0	318.329	0.960	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001609225977	1170879341	/nfs/dbraw/zinc/87/93/41/1170879341.db2.gz	DJAFRNFORDKLQC-SCRDCRAPSA-N	-1	0	312.366	0.853	20	30		DCEDRM
CCOc1ccccc1Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC001609246600	1170899121	/nfs/dbraw/zinc/89/91/21/1170899121.db2.gz	PRHWVQOPQLHIFU-UHFFFAOYSA-N	-1	0	310.321	0.964	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC001609264327	1170903857	/nfs/dbraw/zinc/90/38/57/1170903857.db2.gz	LKQPAYNAWMBKSM-WDEREUQCSA-N	-1	0	300.355	0.851	20	30		DCEDRM
C=CCCS(=O)(=O)N1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001609346006	1170946512	/nfs/dbraw/zinc/94/65/12/1170946512.db2.gz	WEVJCYDGVZIOCT-WYUUTHIRSA-N	-1	0	303.380	0.987	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)COc1ccccc1	ZINC001609445438	1170981486	/nfs/dbraw/zinc/98/14/86/1170981486.db2.gz	GWNJQPCKQRQBTI-UHFFFAOYSA-N	-1	0	323.316	0.891	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC001609452383	1170983362	/nfs/dbraw/zinc/98/33/62/1170983362.db2.gz	JRPCIZAIZLGHNS-JTQLQIEISA-N	-1	0	309.709	0.992	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1C(=O)[O-]	ZINC001609489309	1170995508	/nfs/dbraw/zinc/99/55/08/1170995508.db2.gz	YPUWZBXGKRCYJN-NSHDSACASA-N	-1	0	311.359	0.746	20	30		DCEDRM
CC(N=Nc1ccc(S(N)(=O)=O)cn1)c1cc(C(=O)[O-])co1	ZINC001609556686	1171020606	/nfs/dbraw/zinc/02/06/06/1171020606.db2.gz	DVATWIRTGJRPNH-UHFFFAOYSA-N	-1	0	324.318	0.856	20	30		DCEDRM
C[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)C1	ZINC001609853188	1171103972	/nfs/dbraw/zinc/10/39/72/1171103972.db2.gz	WASZZYSNYNBVJG-JTQLQIEISA-N	-1	0	303.318	0.677	20	30		DCEDRM
CCc1ccc(C#CC(=O)N[C@@H](CC(=O)OC)C(=O)[O-])cc1	ZINC001610060557	1171148732	/nfs/dbraw/zinc/14/87/32/1171148732.db2.gz	VQEVJACHLBVLHU-ZDUSSCGKSA-N	-1	0	303.314	0.733	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)Oc1ccccc1C#N	ZINC001610153351	1171180124	/nfs/dbraw/zinc/18/01/24/1171180124.db2.gz	QDGIHPYDJCYVNA-ONGXEEELSA-N	-1	0	320.301	0.458	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C#N	ZINC001610210228	1171197517	/nfs/dbraw/zinc/19/75/17/1171197517.db2.gz	PHQNFLOLIGKACQ-ZETCQYMHSA-N	-1	0	312.303	0.362	20	30		DCEDRM
CO[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C(=O)[O-])C1	ZINC001610237927	1171203648	/nfs/dbraw/zinc/20/36/48/1171203648.db2.gz	QRTFMOJJSHGMPW-JMSVASOKSA-N	-1	0	311.382	0.605	20	30		DCEDRM
CO[C@H]1CCN(C(=O)c2ncc(C#N)cc2C)[C@H](C(=O)[O-])C1	ZINC001610238427	1171203664	/nfs/dbraw/zinc/20/36/64/1171203664.db2.gz	WNWKVDJLKXFRGA-RYUDHWBXSA-N	-1	0	303.318	0.966	20	30		DCEDRM
N#CC1(CS(=O)(=O)N(CC(=O)[O-])C2CCOCC2)CCC1	ZINC001610620202	1171270304	/nfs/dbraw/zinc/27/03/04/1171270304.db2.gz	YVIUNBKTWZROQI-UHFFFAOYSA-N	-1	0	316.379	0.576	20	30		DCEDRM
N#C[C@H]1CN(CN2Cc3ccc(C(=O)[O-])cc3C2=O)CCO1	ZINC001610620563	1171270345	/nfs/dbraw/zinc/27/03/45/1171270345.db2.gz	IYGJREGFGJKMAO-LBPRGKRZSA-N	-1	0	301.302	0.522	20	30		DCEDRM
N#CC[C@@]1(O)CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1	ZINC001610620146	1171270686	/nfs/dbraw/zinc/27/06/86/1171270686.db2.gz	BKMOKGVXCQVMMD-CYBMUJFWSA-N	-1	0	310.331	0.424	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001610623163	1171271309	/nfs/dbraw/zinc/27/13/09/1171271309.db2.gz	JQFXONNUHSKMQR-AWEZNQCLSA-N	-1	0	318.329	0.887	20	30		DCEDRM
N#Cc1cccnc1N1CCN(Cn2cc(C(=O)[O-])nn2)CC1	ZINC001610633598	1171274070	/nfs/dbraw/zinc/27/40/70/1171274070.db2.gz	SCVNSIQDBMUROJ-UHFFFAOYSA-N	-1	0	313.321	0.023	20	30		DCEDRM
C=C(C)C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)OCC	ZINC001622506098	1171426091	/nfs/dbraw/zinc/42/60/91/1171426091.db2.gz	BEYAHFIOQVVLTE-SECBINFHSA-N	-1	0	312.413	0.446	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCC[C@H]2CCOC2)c(=O)[n-]c1=O	ZINC001624226747	1171451547	/nfs/dbraw/zinc/45/15/47/1171451547.db2.gz	KIMNOCMYRJMTBH-NSHDSACASA-N	-1	0	320.349	0.144	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC2=CCCCC2)c(=O)[n-]c1=O	ZINC001625322272	1171469377	/nfs/dbraw/zinc/46/93/77/1171469377.db2.gz	XZDYOYPEWULUIE-UHFFFAOYSA-N	-1	0	302.334	0.827	20	30		DCEDRM
C=CCO[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1	ZINC001627703911	1171510575	/nfs/dbraw/zinc/51/05/75/1171510575.db2.gz	WGVFDVAHFOMVHR-LBPRGKRZSA-N	-1	0	306.297	0.480	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1	ZINC001627848997	1171513683	/nfs/dbraw/zinc/51/36/83/1171513683.db2.gz	XPPWXBVCKYPDMK-UHFFFAOYSA-N	-1	0	300.274	0.225	20	30		DCEDRM
CC(C)(C)OCCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001628697776	1171534728	/nfs/dbraw/zinc/53/47/28/1171534728.db2.gz	WTGNSAGRVFUUJL-UHFFFAOYSA-N	-1	0	308.338	0.142	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C(=O)OC	ZINC001632088769	1171610538	/nfs/dbraw/zinc/61/05/38/1171610538.db2.gz	FNUUNOQHMANYGH-SSDOTTSWSA-N	-1	0	300.340	0.226	20	30		DCEDRM
C=CCn1cc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)nn1	ZINC001634120590	1171661085	/nfs/dbraw/zinc/66/10/85/1171661085.db2.gz	HECDTMNSJHYEGF-UHFFFAOYSA-N	-1	0	312.293	0.398	20	30		DCEDRM
Cc1nc(Cl)ccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001634449203	1171674591	/nfs/dbraw/zinc/67/45/91/1171674591.db2.gz	PDBAEIDYYAPNOZ-UHFFFAOYSA-N	-1	0	319.708	0.816	20	30		DCEDRM
C#CC1(O)CN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1	ZINC001636818751	1171750057	/nfs/dbraw/zinc/75/00/57/1171750057.db2.gz	KITUWJQBANKHMV-UHFFFAOYSA-N	-1	0	301.277	0.537	20	30		DCEDRM
COc1ccc(C=O)cc1Oc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001641975807	1171934674	/nfs/dbraw/zinc/93/46/74/1171934674.db2.gz	RQVXIYRITKGTGY-UHFFFAOYSA-N	-1	0	301.258	0.559	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)OC	ZINC001642698138	1171954470	/nfs/dbraw/zinc/95/44/70/1171954470.db2.gz	KKTZRSLZNHZNEU-SECBINFHSA-N	-1	0	312.326	0.094	20	30		DCEDRM
C#CCONC(=O)c1cnc(I)c([O-])c1	ZINC001645285136	1172034894	/nfs/dbraw/zinc/03/48/94/1172034894.db2.gz	FZTVPQXTWJGKPR-UHFFFAOYSA-N	-1	0	318.070	0.686	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@@]2(O)CCOC2)cc1C#N	ZINC001645759070	1172128606	/nfs/dbraw/zinc/12/86/06/1172128606.db2.gz	WMHYEXHMENGQAW-ZDUSSCGKSA-N	-1	0	309.347	0.262	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@H](Oc3ccccc3)C2)c(C#N)c1=O	ZINC001646634594	1172450248	/nfs/dbraw/zinc/45/02/48/1172450248.db2.gz	FBDTXWZNPDWGKE-LBPRGKRZSA-N	-1	0	312.329	0.603	20	30		DCEDRM
Cc1noc(CCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1	ZINC001647130021	1172692304	/nfs/dbraw/zinc/69/23/04/1172692304.db2.gz	NYTZLPNCXMSSDG-UHFFFAOYSA-N	-1	0	300.340	0.306	20	30		DCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1	ZINC001647150735	1172704288	/nfs/dbraw/zinc/70/42/88/1172704288.db2.gz	HIQPMQODRFWNNR-SNVBAGLBSA-N	-1	0	322.350	0.250	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nn(C)cc1C(N)=O	ZINC001649731278	1173188063	/nfs/dbraw/zinc/18/80/63/1173188063.db2.gz	CVOJMFTWVCKWSE-UHFFFAOYSA-N	-1	0	319.346	0.500	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2nc(-c3ccc(F)cc3)no2)c1=O	ZINC001656660510	1173874999	/nfs/dbraw/zinc/87/49/99/1173874999.db2.gz	XPKMGWTUSNMQFZ-UHFFFAOYSA-N	-1	0	313.248	0.646	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001661861982	1174165799	/nfs/dbraw/zinc/16/57/99/1174165799.db2.gz	YHLYOTXSPJLSHZ-XHDPSFHLSA-N	-1	0	323.397	0.308	20	30		DCEDRM
C=CCOCC(=O)NCC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001671830713	1175039881	/nfs/dbraw/zinc/03/98/81/1175039881.db2.gz	UCFKIPQZIRKENB-UHFFFAOYSA-N	-1	0	323.397	0.431	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCCNC(=O)C#CC2CC2)c1[O-]	ZINC001679264173	1175715371	/nfs/dbraw/zinc/71/53/71/1175715371.db2.gz	LRWFQKFBGYEMOM-SNVBAGLBSA-N	-1	0	318.377	0.852	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCO1	ZINC001681592713	1175906572	/nfs/dbraw/zinc/90/65/72/1175906572.db2.gz	IHAVRTYTHMLTSL-SRVKXCTJSA-N	-1	0	319.365	0.580	20	30		DCEDRM
C=CC[C@H](CC)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001686285239	1176059327	/nfs/dbraw/zinc/05/93/27/1176059327.db2.gz	YCFZBNPNFPANHB-NSHDSACASA-N	-1	0	305.338	0.474	20	30		DCEDRM
C#CCC1(C(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])CCC1	ZINC001688320096	1176448288	/nfs/dbraw/zinc/44/82/88/1176448288.db2.gz	VEPSNVBQLFWQHG-UHFFFAOYSA-N	-1	0	318.377	0.806	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001704249609	1179948006	/nfs/dbraw/zinc/94/80/06/1179948006.db2.gz	NHFCIINBYGADBY-AWEZNQCLSA-N	-1	0	323.353	0.073	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)CSCC#N)c1[O-]	ZINC001722007123	1184135544	/nfs/dbraw/zinc/13/55/44/1184135544.db2.gz	PHZVVFAUXFCSEZ-SECBINFHSA-N	-1	0	323.378	0.011	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001725626802	1184918456	/nfs/dbraw/zinc/91/84/56/1184918456.db2.gz	QJEXZLNPAJPCFL-VXGBXAGGSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1	ZINC001734998010	1186776190	/nfs/dbraw/zinc/77/61/90/1186776190.db2.gz	YEFNXOCFFQMCNK-IJLUTSLNSA-N	-1	0	321.381	0.411	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001737433079	1187331049	/nfs/dbraw/zinc/33/10/49/1187331049.db2.gz	CDIRDFVMYUWQSW-MNOVXSKESA-N	-1	0	322.365	0.346	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@@H](CC)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001738122477	1187480018	/nfs/dbraw/zinc/48/00/18/1187480018.db2.gz	HHIAULRIIYEBJX-WDEREUQCSA-N	-1	0	322.365	0.087	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001753123910	1188507710	/nfs/dbraw/zinc/50/77/10/1188507710.db2.gz	RBWNSAAEKOQLNA-RYUDHWBXSA-N	-1	0	323.397	0.430	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H]2CCOc3ccccc32)c(C#N)c1=O	ZINC001772115442	1190610944	/nfs/dbraw/zinc/61/09/44/1190610944.db2.gz	YIHAQVBYPYAWLF-SNVBAGLBSA-N	-1	0	312.329	0.923	20	30		DCEDRM
COCCN(c1[n-]c(=O)n(C)c(=O)c1C#N)[C@H]1CC[C@@H](C)C1	ZINC001772117583	1190611316	/nfs/dbraw/zinc/61/13/16/1190611316.db2.gz	PIKXNLFIKHUKFV-MNOVXSKESA-N	-1	0	306.366	0.587	20	30		DCEDRM
CC(C)[C@@H]1C[C@@H](CNc2[n-]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001772116866	1190611324	/nfs/dbraw/zinc/61/13/24/1190611324.db2.gz	HHNGZRXPJVUPAI-JQWIXIFHSA-N	-1	0	306.366	0.808	20	30		DCEDRM
C=C(Br)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CNC(=O)[O-])C1	ZINC001573313190	962727787	/nfs/dbraw/zinc/72/77/87/962727787.db2.gz	FNHHLEHALYDCJM-BDAKNGLRSA-N	-1	0	320.187	0.742	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H](C)CNc2ccc(C#N)nn2)c1[O-]	ZINC001104529899	747688581	/nfs/dbraw/zinc/68/85/81/747688581.db2.gz	JKKGONJBUJDFLE-MRVPVSSYSA-N	-1	0	315.337	0.658	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)NC1CCC(C(=O)[O-])CC1	ZINC000236427422	747702251	/nfs/dbraw/zinc/70/22/51/747702251.db2.gz	ZLRJDVYWFHKSAJ-UHFFFAOYSA-N	-1	0	309.347	0.875	20	30		DCEDRM
C#C[C@H](Oc1nc[n-]c(=O)c1Br)C(=O)OCC	ZINC001226723473	748949109	/nfs/dbraw/zinc/94/91/09/748949109.db2.gz	XSHFGFSXJTUPJA-LURJTMIESA-N	-1	0	301.096	0.888	20	30		DCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N(CCOC)CCC(=O)[O-]	ZINC000904940754	750430848	/nfs/dbraw/zinc/43/08/48/750430848.db2.gz	MIKUMKFUFRBKTL-LBPRGKRZSA-N	-1	0	312.366	0.503	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCCN1C(=O)C#CC1CC1	ZINC001089174462	750855074	/nfs/dbraw/zinc/85/50/74/750855074.db2.gz	BCCVVMIGNIFXJQ-ZDUSSCGKSA-N	-1	0	317.393	0.737	20	30		DCEDRM
CC#CCN1CCO[C@@](C)(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001107871571	752460087	/nfs/dbraw/zinc/46/00/87/752460087.db2.gz	IDYSYFJGCCJZKU-HNNXBMFYSA-N	-1	0	306.366	0.268	20	30		DCEDRM
C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001071807667	762151196	/nfs/dbraw/zinc/15/11/96/762151196.db2.gz	AWOYLPMXJVBXLE-GXSJLCMTSA-N	-1	0	322.365	0.203	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)c2ccncc2C#N)c1[O-]	ZINC001113551289	762380460	/nfs/dbraw/zinc/38/04/60/762380460.db2.gz	FUEGFDWVKZKQKP-SECBINFHSA-N	-1	0	314.349	0.945	20	30		DCEDRM
C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3oc(=O)nc-3[n-]1)C2	ZINC001098212602	762634287	/nfs/dbraw/zinc/63/42/87/762634287.db2.gz	AITQGNBMFNTTRN-JLLWLGSASA-N	-1	0	312.329	0.897	20	30		DCEDRM
N#CCN[C@H]1C[C@H](CNC(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001086493988	760257262	/nfs/dbraw/zinc/25/72/62/760257262.db2.gz	ITAFWAZCODPUDN-XYPYZODXSA-N	-1	0	311.345	0.957	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001169299894	760637635	/nfs/dbraw/zinc/63/76/35/760637635.db2.gz	IOHCVPHLLDFPQX-LLVKDONJSA-N	-1	0	316.317	0.034	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001132001958	764182244	/nfs/dbraw/zinc/18/22/44/764182244.db2.gz	FYYKXHULXCHCJL-RYUDHWBXSA-N	-1	0	305.382	0.783	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1	ZINC001118242035	766264204	/nfs/dbraw/zinc/26/42/04/766264204.db2.gz	UYOPXRFUOABDDI-GFCCVEGCSA-N	-1	0	324.377	0.503	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@H](OC)C1	ZINC001121662561	767616038	/nfs/dbraw/zinc/61/60/38/767616038.db2.gz	CYPHBOUPILDQAC-JTQLQIEISA-N	-1	0	304.354	0.303	20	30		DCEDRM
[NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)c1ccco1	ZINC001147107107	767655862	/nfs/dbraw/zinc/65/58/62/767655862.db2.gz	PFDYTWWNBKUAPE-SECBINFHSA-N	-1	0	324.295	0.436	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C(F)F)n(C)n1	ZINC001122442935	767803948	/nfs/dbraw/zinc/80/39/48/767803948.db2.gz	XPRXXDMEXCVXBA-QMMMGPOBSA-N	-1	0	314.292	0.833	20	30		DCEDRM
Cc1cc(C#N)nc(NCCCNC(=O)c2ncccc2O)n1	ZINC001094375624	769035995	/nfs/dbraw/zinc/03/59/95/769035995.db2.gz	IDUOZEWXGAGJHA-UHFFFAOYSA-N	-1	0	312.333	0.989	20	30		DCEDRM
COC(=O)[C@@H]1CN(Cc2cc(C#N)ccc2[O-])CCN1C(C)=O	ZINC001232680439	769332329	/nfs/dbraw/zinc/33/23/29/769332329.db2.gz	DJNGPIHUASGETQ-AWEZNQCLSA-N	-1	0	317.345	0.470	20	30		DCEDRM
C[C@@H](CCCCNCC#N)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001171618632	769332852	/nfs/dbraw/zinc/33/28/52/769332852.db2.gz	LJURQCVRINSUKX-NSHDSACASA-N	-1	0	324.385	0.258	20	30		DCEDRM
C[C@@H](CCCCNCC#N)NC(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001171650963	769338696	/nfs/dbraw/zinc/33/86/96/769338696.db2.gz	DNUFBYUHBDSOAS-JTQLQIEISA-N	-1	0	322.369	0.004	20	30		DCEDRM
N#Cc1nc(OC(=O)[C@@H](O)CC(=O)[O-])ccc1Br	ZINC001234638888	769713421	/nfs/dbraw/zinc/71/34/21/769713421.db2.gz	OCEHFTJWJLZYPW-ZETCQYMHSA-N	-1	0	315.079	0.457	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc2n[nH]cc2n1	ZINC001234658664	769717791	/nfs/dbraw/zinc/71/77/91/769717791.db2.gz	HEZAIXVBWIMCRO-VIFPVBQESA-N	-1	0	313.335	0.796	20	30		DCEDRM
N#Cc1cccc2[nH]nc(NC(=O)Cn3nn[n-]c3=S)c21	ZINC001177736670	770539730	/nfs/dbraw/zinc/53/97/30/770539730.db2.gz	YVKQKMNLTWIUOW-UHFFFAOYSA-N	-1	0	300.307	0.348	20	30		DCEDRM
N#Cc1c(N)nn(C([O-])=C2CN(Cc3ccccc3)CC2=O)c1N	ZINC001181566364	771315547	/nfs/dbraw/zinc/31/55/47/771315547.db2.gz	ZLAWTKUDOWKNHI-GFCCVEGCSA-N	-1	0	324.344	0.260	20	30		DCEDRM
Cc1cnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c(/C=N/O)c1	ZINC001157070240	771526925	/nfs/dbraw/zinc/52/69/25/771526925.db2.gz	CZPAWHYKFLKHMD-NAFZJREASA-N	-1	0	314.323	0.012	20	30		DCEDRM
O=C(CCC(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1)C1=CC=C[CH]1	ZINC001184243599	771762692	/nfs/dbraw/zinc/76/26/92/771762692.db2.gz	KZVUSBZQIWEIRR-UHFFFAOYSA-N	-1	0	314.321	0.822	20	30		DCEDRM
N#Cc1cnn(-c2ncccn2)c1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187731842	772210963	/nfs/dbraw/zinc/21/09/63/772210963.db2.gz	RRGZZDNBYNQPKU-UHFFFAOYSA-N	-1	0	316.306	0.058	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(=O)OC	ZINC001161365967	772211461	/nfs/dbraw/zinc/21/14/61/772211461.db2.gz	ZGQHCTFVLRTREA-SNVBAGLBSA-N	-1	0	319.342	0.675	20	30		DCEDRM
COC(=O)CCS(=O)(=O)[N-]c1nc(C)c(C#N)cc1C#N	ZINC001188352885	772297819	/nfs/dbraw/zinc/29/78/19/772297819.db2.gz	MQAIOFRFDWPMKK-UHFFFAOYSA-N	-1	0	308.319	0.438	20	30		DCEDRM
N#Cc1cnn2c1ncc(C#N)c2[N-]S(=O)(=O)CC1CC1	ZINC001188937781	772385415	/nfs/dbraw/zinc/38/54/15/772385415.db2.gz	VNCLGCRAUFOWLM-UHFFFAOYSA-N	-1	0	302.319	0.624	20	30		DCEDRM
Cc1cncc(N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])n1	ZINC001163066183	772452689	/nfs/dbraw/zinc/45/26/89/772452689.db2.gz	QUXGPFSDXBOWDZ-SNVBAGLBSA-N	-1	0	322.327	0.305	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)Cc1cccc(F)c1F	ZINC001189482493	772489865	/nfs/dbraw/zinc/48/98/65/772489865.db2.gz	SSOHETDRIHZMJU-SNVBAGLBSA-N	-1	0	318.301	0.839	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1	ZINC001190075767	772585155	/nfs/dbraw/zinc/58/51/55/772585155.db2.gz	FINMNVGSRWJCLF-LLVKDONJSA-N	-1	0	305.382	0.593	20	30		DCEDRM
N#Cc1cnn(-c2ccccn2)c1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190689444	772664835	/nfs/dbraw/zinc/66/48/35/772664835.db2.gz	HKSUOODUYQTSAY-UHFFFAOYSA-N	-1	0	315.318	0.663	20	30		DCEDRM
N#Cc1cnn(-c2ncccn2)c1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190689696	772665049	/nfs/dbraw/zinc/66/50/49/772665049.db2.gz	ORNIZHKPNSZBJJ-UHFFFAOYSA-N	-1	0	316.306	0.058	20	30		DCEDRM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)CC#N	ZINC001192972011	772989689	/nfs/dbraw/zinc/98/96/89/772989689.db2.gz	DZKOAKICRGEWEU-UHFFFAOYSA-N	-1	0	314.319	0.756	20	30		DCEDRM
COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193150368	773018215	/nfs/dbraw/zinc/01/82/15/773018215.db2.gz	XDVIAIBAYZMVAS-LURJTMIESA-N	-1	0	302.283	0.972	20	30		DCEDRM
Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193513207	773077319	/nfs/dbraw/zinc/07/73/19/773077319.db2.gz	ZHCQURDVJMFULG-UHFFFAOYSA-N	-1	0	315.245	0.713	20	30		DCEDRM
COC(=O)c1cc(C(=O)Nc2cc(C#N)c(C#N)cc2N)n[n-]1	ZINC001194288978	773177830	/nfs/dbraw/zinc/17/78/30/773177830.db2.gz	SYEGTWTUXXAVSE-UHFFFAOYSA-N	-1	0	310.273	0.774	20	30		DCEDRM
N#CC1(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1	ZINC001195249890	773355502	/nfs/dbraw/zinc/35/55/02/773355502.db2.gz	SPIRNARAIWKLCK-UHFFFAOYSA-N	-1	0	302.258	0.997	20	30		DCEDRM
C=CC(C)(C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC001195830846	773489237	/nfs/dbraw/zinc/48/92/37/773489237.db2.gz	OJGNOHDTAJMYDV-UHFFFAOYSA-N	-1	0	310.335	0.679	20	30		DCEDRM
C=CCNC(=O)C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC001211281262	773790046	/nfs/dbraw/zinc/79/00/46/773790046.db2.gz	GVEGBVZAHRMWHD-GOSISDBHSA-N	-1	0	311.429	0.019	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001211425547	773803495	/nfs/dbraw/zinc/80/34/95/773803495.db2.gz	NTXFFRUEPCAMAM-OUAUKWLOSA-N	-1	0	309.370	0.038	20	30		DCEDRM
COc1ccc(OC)c(/C(=N/[O-])OC[C@@H]2OCCN(C)C2=O)c1	ZINC001223891799	775524237	/nfs/dbraw/zinc/52/42/37/775524237.db2.gz	ULUKQUCRGMODSS-YXNALHSASA-N	-1	0	324.333	0.713	20	30		DCEDRM
CC(=O)OC[C@H](COc1[n-]c(=O)cc(C)c1C#N)OC(C)=O	ZINC001226220776	775784361	/nfs/dbraw/zinc/78/43/61/775784361.db2.gz	ATPQDLKVVKNRFT-LLVKDONJSA-N	-1	0	308.290	0.841	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2c([O-])c(=O)c2=O)C1	ZINC001226602201	775844160	/nfs/dbraw/zinc/84/41/60/775844160.db2.gz	KARUQZKJKDJOMT-HTQZYQBOSA-N	-1	0	308.290	0.126	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2c([O-])c(=O)c2=O)C1	ZINC001226602206	775844446	/nfs/dbraw/zinc/84/44/46/775844446.db2.gz	KARUQZKJKDJOMT-YUMQZZPRSA-N	-1	0	308.290	0.126	20	30		DCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1[n-]c(=O)nc2nccnc21	ZINC001226992099	775907652	/nfs/dbraw/zinc/90/76/52/775907652.db2.gz	QSPROIUTTCZAGJ-MRVPVSSYSA-N	-1	0	303.278	0.740	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc2n[nH]nc2c1	ZINC001228667291	776111111	/nfs/dbraw/zinc/11/11/11/776111111.db2.gz	LWSMLDGKUBZWLA-SNVBAGLBSA-N	-1	0	313.335	0.796	20	30		DCEDRM
CN1[C@@H]2C[C@@H](Oc3cc(O)cc([O-])c3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12	ZINC001228972519	776143387	/nfs/dbraw/zinc/14/33/87/776143387.db2.gz	XHQIEXZHLMPMMT-KLXOBDOZSA-N	-1	0	308.290	0.997	20	30		DCEDRM
N#Cc1ccc2ncnc(OC(=O)[C@H](O)CCC(=O)[O-])c2c1	ZINC001229103651	776157824	/nfs/dbraw/zinc/15/78/24/776157824.db2.gz	CGXGHGITUXEEGF-LLVKDONJSA-N	-1	0	301.258	0.633	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1ccsc1C(=O)[O-])[C@@H]1CCCO1	ZINC001602678082	1169156818	/nfs/dbraw/zinc/15/68/18/1169156818.db2.gz	HXGXTYOHMQEKDR-BDAKNGLRSA-N	-1	0	315.372	0.905	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)C(=O)OC	ZINC001602748740	1169178079	/nfs/dbraw/zinc/17/80/79/1169178079.db2.gz	JHCPLXQGPLJQOG-GFCCVEGCSA-N	-1	0	306.318	0.946	20	30		DCEDRM
C=CC[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC001602845737	1169192899	/nfs/dbraw/zinc/19/28/99/1169192899.db2.gz	VQCRPRZLUFEHLV-LLVKDONJSA-N	-1	0	313.331	0.537	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(C)(C)S(C)(=O)=O	ZINC001362162501	940421272	/nfs/dbraw/zinc/42/12/72/940421272.db2.gz	SWHZQWGDBPVYHU-UHFFFAOYSA-N	-1	0	311.363	0.520	20	30		DCEDRM
CCO[C@@H]1C[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)[C@]12CCCO2	ZINC001412878509	942118159	/nfs/dbraw/zinc/11/81/59/942118159.db2.gz	FPZSUBRKQHFXSD-UEKVPHQBSA-N	-1	0	320.349	0.084	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc([S@@](C)=O)cc2)c(C#N)c1=O	ZINC001412873370	942119186	/nfs/dbraw/zinc/11/91/86/942119186.db2.gz	XFBQXUNLNMTWKF-JOCHJYFZSA-N	-1	0	318.358	0.295	20	30		DCEDRM
CCCN(CC(=O)OC(C)(C)C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001412879739	942126311	/nfs/dbraw/zinc/12/63/11/942126311.db2.gz	HNTGCROQFSJYRK-UHFFFAOYSA-N	-1	0	322.365	0.503	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1CCCS1(=O)=O	ZINC001412972639	942166797	/nfs/dbraw/zinc/16/67/97/942166797.db2.gz	QIDOCSZPTJRNEM-SNVBAGLBSA-N	-1	0	309.347	0.274	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1N=NC(=O)N1C1CC1	ZINC001413212593	942564676	/nfs/dbraw/zinc/56/46/76/942564676.db2.gz	PCMLAGLTBBFNJB-UHFFFAOYSA-N	-1	0	314.305	0.529	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c(=O)[n-]c1=O	ZINC001413306513	942617719	/nfs/dbraw/zinc/61/77/19/942617719.db2.gz	DIHXVEVLGUGKQV-JBLDHEPKSA-N	-1	0	302.334	0.373	20	30		DCEDRM
N#CCCCN1CC[C@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1=O	ZINC001272285422	942663454	/nfs/dbraw/zinc/66/34/54/942663454.db2.gz	HDWPZSFCQUTSQB-OAHLLOKOSA-N	-1	0	317.349	0.484	20	30		DCEDRM
N#CCC1(CNC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1	ZINC001601061322	970925769	/nfs/dbraw/zinc/92/57/69/970925769.db2.gz	CSQRKQQVBZPERX-UHFFFAOYSA-N	-1	0	307.350	0.556	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c(F)c1	ZINC001413385077	942943397	/nfs/dbraw/zinc/94/33/97/942943397.db2.gz	DXHSRKDEEHTOFD-NSHDSACASA-N	-1	0	302.269	0.424	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-]CC(F)(F)C(=O)OC	ZINC001365745102	942948340	/nfs/dbraw/zinc/94/83/40/942948340.db2.gz	BLQYSFCVIHXUMH-QMMMGPOBSA-N	-1	0	313.326	0.111	20	30		DCEDRM
C[C@@H](NCC#N)[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001484351888	943332075	/nfs/dbraw/zinc/33/20/75/943332075.db2.gz	GPDGHGFPABUWKV-NXEZZACHSA-N	-1	0	315.333	0.892	20	30		DCEDRM
N#CCNC[C@@H]1CCCCN1C(=O)c1c[n-]n2c1nccc2=O	ZINC001491265268	943879800	/nfs/dbraw/zinc/87/98/00/943879800.db2.gz	UQNNLGTWZNUKTD-NSHDSACASA-N	-1	0	314.349	0.130	20	30		DCEDRM
CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CSCC#N	ZINC001276554548	944210041	/nfs/dbraw/zinc/21/00/41/944210041.db2.gz	CBXJRBWOBKYSLQ-SECBINFHSA-N	-1	0	324.410	0.094	20	30		DCEDRM
C#CCN1CC2(CN(Cc3ccccc3C(=O)[O-])C2)OCC1=O	ZINC001273171492	945612844	/nfs/dbraw/zinc/61/28/44/945612844.db2.gz	GKUCZUZKUHBTDX-UHFFFAOYSA-N	-1	0	314.341	0.431	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)NN=c1[n-]ncc(N)c1Cl	ZINC001319751662	945658811	/nfs/dbraw/zinc/65/88/11/945658811.db2.gz	VBACBAWAXMJFPW-UHFFFAOYSA-N	-1	0	324.753	0.889	20	30		DCEDRM
C=CC[C@@H](NC(=O)CNC(=O)c1ccccc1OCC)C(=O)[O-]	ZINC001321658798	946417326	/nfs/dbraw/zinc/41/73/26/946417326.db2.gz	WYNAKYRPKXJMHX-GFCCVEGCSA-N	-1	0	320.345	0.961	20	30		DCEDRM
C#CCN1CC2(CN(Cc3cccc(F)c3O)C2)OCC1=O	ZINC001273304029	946457172	/nfs/dbraw/zinc/45/71/72/946457172.db2.gz	QPJQADYGWXOLEX-UHFFFAOYSA-N	-1	0	304.321	0.578	20	30		DCEDRM
C=CC[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(C)c1)C(=O)[O-]	ZINC001256551632	946640907	/nfs/dbraw/zinc/64/09/07/946640907.db2.gz	VFCLOLNYYKLIKT-JTQLQIEISA-N	-1	0	312.347	0.402	20	30		DCEDRM
C=CC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)[O-]	ZINC001256559503	946641201	/nfs/dbraw/zinc/64/12/01/946641201.db2.gz	BYUYKDGOJJYDON-VIFPVBQESA-N	-1	0	315.351	0.024	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)C(=O)[O-]	ZINC001256550710	946641269	/nfs/dbraw/zinc/64/12/69/946641269.db2.gz	KLFJPAWIQUIOCR-LLVKDONJSA-N	-1	0	312.347	0.354	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CNC(=O)NCc1ccc(C)cc1	ZINC001602682979	971270987	/nfs/dbraw/zinc/27/09/87/971270987.db2.gz	XNGAGQSJCJNZPK-UHFFFAOYSA-N	-1	0	317.345	0.341	20	30		DCEDRM
COC(=O)c1cncc([N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC001258039508	946792488	/nfs/dbraw/zinc/79/24/88/946792488.db2.gz	TVDWGCBXSOSWQC-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1c(Br)cnn1C	ZINC001602684373	971280960	/nfs/dbraw/zinc/28/09/60/971280960.db2.gz	YRNHYPKPBYBDLS-UHFFFAOYSA-N	-1	0	314.139	0.272	20	30		DCEDRM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cnn(C)c1C#N	ZINC001258361703	946827169	/nfs/dbraw/zinc/82/71/69/946827169.db2.gz	QQZVOIJSTYQGIZ-UHFFFAOYSA-N	-1	0	314.758	0.788	20	30		DCEDRM
C#CCOCCOCC[N-]S(=O)(=O)c1c(F)cccc1F	ZINC001259071233	946911183	/nfs/dbraw/zinc/91/11/83/946911183.db2.gz	KRFWBOCMBKVWKK-UHFFFAOYSA-N	-1	0	319.329	0.910	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2nccnc2C(N)=O)c1	ZINC001259118157	946915987	/nfs/dbraw/zinc/91/59/87/946915987.db2.gz	FJSXCZHKKORNLQ-UHFFFAOYSA-N	-1	0	303.303	0.248	20	30		DCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC001259844429	947000768	/nfs/dbraw/zinc/00/07/68/947000768.db2.gz	RFWKLIVOIXDQRG-UHFFFAOYSA-N	-1	0	304.287	0.878	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ccc(=O)[nH]c2)n1CC=C	ZINC001602699527	971317804	/nfs/dbraw/zinc/31/78/04/971317804.db2.gz	WLJBASFPENQRBR-UHFFFAOYSA-N	-1	0	313.317	0.756	20	30		DCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC001260047452	947052570	/nfs/dbraw/zinc/05/25/70/947052570.db2.gz	FYRPLMQJXPKTCW-LBPRGKRZSA-N	-1	0	307.331	0.433	20	30		DCEDRM
COC(=O)C([N-]S(=O)(=O)Cc1ccc(C#N)cc1)=C(C)O	ZINC001260047454	947055093	/nfs/dbraw/zinc/05/50/93/947055093.db2.gz	GFIHRYGCRILTHG-GFCCVEGCSA-N	-1	0	310.331	0.108	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001410870625	947059218	/nfs/dbraw/zinc/05/92/18/947059218.db2.gz	DWWDFEJBIGVHLI-ISTVAULSSA-N	-1	0	304.354	0.283	20	30		DCEDRM
CN1c2ccc(S(=O)(=O)[N-]c3oncc3C#N)cc2CC1=O	ZINC001260153983	947072177	/nfs/dbraw/zinc/07/21/77/947072177.db2.gz	LALHQVCTOGRNIL-UHFFFAOYSA-N	-1	0	318.314	0.866	20	30		DCEDRM
CC[C@H](CC#N)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260180565	947080001	/nfs/dbraw/zinc/08/00/01/947080001.db2.gz	RZIBSDWCBQIGJP-SSDOTTSWSA-N	-1	0	314.758	0.748	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C)c2C#N)cc1	ZINC001260234276	947088405	/nfs/dbraw/zinc/08/84/05/947088405.db2.gz	PFTBEESGVFXBQA-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)C2(C(=O)[O-])CC2)n1	ZINC001602704294	971333103	/nfs/dbraw/zinc/33/31/03/971333103.db2.gz	BSHKDBYPYHQMBU-UHFFFAOYSA-N	-1	0	305.334	0.356	20	30		DCEDRM
N#Cc1cnn(-c2ncccn2)c1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260954768	947155806	/nfs/dbraw/zinc/15/58/06/947155806.db2.gz	WYEVYGBXEMRWHC-UHFFFAOYSA-N	-1	0	316.306	0.058	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC001602707217	971342541	/nfs/dbraw/zinc/34/25/41/971342541.db2.gz	MHKNFOOJIAIYMT-WOPDTQHZSA-N	-1	0	312.366	0.263	20	30		DCEDRM
C=C(C)Cn1c(CO)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001602711972	971352060	/nfs/dbraw/zinc/35/20/60/971352060.db2.gz	DGQCIHUGGJMVEX-NWDGAFQWSA-N	-1	0	306.366	0.894	20	30		DCEDRM
C=CCCC(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1	ZINC001573327818	947397888	/nfs/dbraw/zinc/39/78/88/947397888.db2.gz	LEUXXVBMDQWIME-UHFFFAOYSA-N	-1	0	314.353	0.106	20	30		DCEDRM
N#CCCCCS(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1	ZINC001324493428	947439233	/nfs/dbraw/zinc/43/92/33/947439233.db2.gz	RSRWZECYACFHKO-GHMZBOCLSA-N	-1	0	304.368	0.168	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001324551425	947454185	/nfs/dbraw/zinc/45/41/85/947454185.db2.gz	RAQFBLJYRFPXOS-NEPJUHHUSA-N	-1	0	306.343	0.954	20	30		DCEDRM
C=CC[C@@H]1CCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001602719214	971382667	/nfs/dbraw/zinc/38/26/67/971382667.db2.gz	XDPTUDFSOQLHBJ-SNVBAGLBSA-N	-1	0	320.349	0.818	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C(=O)[O-])C(C)C	ZINC001602722952	971391237	/nfs/dbraw/zinc/39/12/37/971391237.db2.gz	CJXKEZODOUYTIT-BDAKNGLRSA-N	-1	0	300.311	0.287	20	30		DCEDRM
C=CCn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602730152	971407238	/nfs/dbraw/zinc/40/72/38/971407238.db2.gz	VOIJBANCVWWDRG-WOPDTQHZSA-N	-1	0	321.381	0.113	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-]	ZINC001325144767	947679994	/nfs/dbraw/zinc/67/99/94/947679994.db2.gz	UXGLOWHPYMOIBL-GXSJLCMTSA-N	-1	0	319.379	0.114	20	30		DCEDRM
CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCCOC	ZINC001262621873	947740020	/nfs/dbraw/zinc/74/00/20/947740020.db2.gz	BFNIPCRDXSPFDW-LLVKDONJSA-N	-1	0	300.355	0.987	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001273475650	947916464	/nfs/dbraw/zinc/91/64/64/947916464.db2.gz	SFPVILZTGRLBIQ-GFCCVEGCSA-N	-1	0	323.397	0.574	20	30		DCEDRM
COc1ccc(C#N)c(S(=O)(=O)[N-]c2c(C#N)cnn2C)c1	ZINC001193640574	948010820	/nfs/dbraw/zinc/01/08/20/948010820.db2.gz	KTMAOTUUBUIUQE-UHFFFAOYSA-N	-1	0	317.330	0.973	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001326648687	948233782	/nfs/dbraw/zinc/23/37/82/948233782.db2.gz	XBAXCWNXIJRYOQ-LLVKDONJSA-N	-1	0	323.397	0.430	20	30		DCEDRM
COCCO[N-]C(=O)C(=O)N[C@@H]1CCc2cc(C#N)ccc21	ZINC001327024761	948369785	/nfs/dbraw/zinc/36/97/85/948369785.db2.gz	UJEUNBTVKVQVJO-CYBMUJFWSA-N	-1	0	303.318	0.356	20	30		DCEDRM
C=CCN(Cc1ccccc1)C(=O)C(=O)NCC(=O)[N-]OCC	ZINC001327037693	948374446	/nfs/dbraw/zinc/37/44/46/948374446.db2.gz	HUMUNIZRRXURNG-UHFFFAOYSA-N	-1	0	319.361	0.385	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)[N-]OCc1ccccc1)[C@@H]1CCCO1	ZINC001327257789	948438850	/nfs/dbraw/zinc/43/88/50/948438850.db2.gz	GLRDETCNMMVDLC-KBPBESRZSA-N	-1	0	302.330	0.531	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)[N-]OC/C=C\Cl)nn1CCC#N	ZINC001327555432	948549008	/nfs/dbraw/zinc/54/90/08/948549008.db2.gz	IGVDERQUTVMZSZ-RQOWECAXSA-N	-1	0	311.729	0.844	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)Nc2cccc(-c3nn[nH]n3)n2)C1	ZINC001570920394	948597842	/nfs/dbraw/zinc/59/78/42/948597842.db2.gz	MFYQSSPPBQYPJL-ZDUSSCGKSA-N	-1	0	314.309	0.144	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](Nc2ncccn2)C1	ZINC001602778390	971511398	/nfs/dbraw/zinc/51/13/98/971511398.db2.gz	HBPRAPYXKJRGNZ-YGRLFVJLSA-N	-1	0	303.322	0.494	20	30		DCEDRM
C[C@@H](NCC#N)[C@H](C)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001329202468	949431900	/nfs/dbraw/zinc/43/19/00/949431900.db2.gz	KOIVSXGPEFJOHU-SFYZADRCSA-N	-1	0	308.304	0.450	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H](C)[S@@]1=O	ZINC001589624879	949462858	/nfs/dbraw/zinc/46/28/58/949462858.db2.gz	OFEHUQVZUUNDOZ-KZCRLVHMSA-N	-1	0	300.380	0.749	20	30		DCEDRM
CC1(C)CCC[C@H](CS(=O)(=O)N(CC#N)CC(=O)[O-])O1	ZINC001604527437	1169611179	/nfs/dbraw/zinc/61/11/79/1169611179.db2.gz	NOKNMJXWWVMVSD-SNVBAGLBSA-N	-1	0	304.368	0.574	20	30		DCEDRM
N#CCCCCCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001329286257	949481487	/nfs/dbraw/zinc/48/14/87/949481487.db2.gz	AEXDYTBIGPALSH-UHFFFAOYSA-N	-1	0	315.333	0.678	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C	ZINC001332627865	951731238	/nfs/dbraw/zinc/73/12/38/951731238.db2.gz	LJPGZJMFIKWWLR-WDEREUQCSA-N	-1	0	322.365	0.875	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2ccccc2F)c(=O)[n-]c1=O	ZINC001411611752	952322546	/nfs/dbraw/zinc/32/25/46/952322546.db2.gz	RHNCHLFFXKHKRJ-UHFFFAOYSA-N	-1	0	302.265	0.276	20	30		DCEDRM
C[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CCOCC1	ZINC001411899813	952523716	/nfs/dbraw/zinc/52/37/16/952523716.db2.gz	JMBHLOBUARPUNU-JTQLQIEISA-N	-1	0	320.349	0.142	20	30		DCEDRM
C[C@@H]1CC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1C	ZINC001412005036	952595090	/nfs/dbraw/zinc/59/50/90/952595090.db2.gz	NUVLWAYERFCVCK-FOGDFJRCSA-N	-1	0	304.350	0.761	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H](CNC(=O)[C@@H](C)C#N)C2CC2)c1[O-]	ZINC001412357765	952761262	/nfs/dbraw/zinc/76/12/62/952761262.db2.gz	BXRCJHBGVWEFPS-KWQFWETISA-N	-1	0	319.365	0.550	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CCCC[C@@H](COC)C1	ZINC001339211397	953080846	/nfs/dbraw/zinc/08/08/46/953080846.db2.gz	QGPABDICXLUSOO-LLVKDONJSA-N	-1	0	318.385	0.897	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-]	ZINC001339861924	953124885	/nfs/dbraw/zinc/12/48/85/953124885.db2.gz	LNBFMEUSDULIBR-RKDXNWHRSA-N	-1	0	306.384	0.096	20	30		DCEDRM
C=CC[C@@H](NC(=O)Cn1c2ccccc2n(CC)c1=O)C(=O)[O-]	ZINC001339865384	953125917	/nfs/dbraw/zinc/12/59/17/953125917.db2.gz	WCRJJCKVFFFVPH-LLVKDONJSA-N	-1	0	317.345	0.968	20	30		DCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCC(CO)CC1	ZINC001340367916	953164157	/nfs/dbraw/zinc/16/41/57/953164157.db2.gz	XYHVSVPEEYHHJK-UHFFFAOYSA-N	-1	0	318.381	0.779	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H]2COC[C@@]2(C)C1	ZINC001340432010	953168810	/nfs/dbraw/zinc/16/88/10/953168810.db2.gz	WZVJHEMCOMDMBH-MEBBXXQBSA-N	-1	0	316.365	0.161	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@H](C)OC(C)(C)C1	ZINC001340432350	953169146	/nfs/dbraw/zinc/16/91/46/953169146.db2.gz	XYYMQABXEBZLIO-JTQLQIEISA-N	-1	0	318.381	0.692	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)[N-]OCc1ccccc1OC	ZINC001342540500	953294227	/nfs/dbraw/zinc/29/42/27/953294227.db2.gz	MNUBVBUBXLQBPT-UHFFFAOYSA-N	-1	0	322.386	0.726	20	30		DCEDRM
C[C@H](Sc1nncn1C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC001342557400	953295153	/nfs/dbraw/zinc/29/51/53/953295153.db2.gz	GIOSGBASWKVYOS-DTWKUNHWSA-N	-1	0	318.362	0.621	20	30		DCEDRM
C=C(C)CN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@@H]1CCCO1	ZINC001343203950	953328101	/nfs/dbraw/zinc/32/81/01/953328101.db2.gz	HFUYHUSUCJMKOM-NSHDSACASA-N	-1	0	318.381	0.693	20	30		DCEDRM
C=CCCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O	ZINC001345760695	953719237	/nfs/dbraw/zinc/71/92/37/953719237.db2.gz	ILNSELCEQRRKLY-QWRGUYRKSA-N	-1	0	322.365	0.082	20	30		DCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(C#N)cn1	ZINC001589310409	953785988	/nfs/dbraw/zinc/78/59/88/953785988.db2.gz	MYWSUJCVLDNTHL-GXSJLCMTSA-N	-1	0	309.347	0.827	20	30		DCEDRM
Cc1oc(S(C)(=O)=O)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001346121964	953804493	/nfs/dbraw/zinc/80/44/93/953804493.db2.gz	QNPLDCBWOFJJOY-SNVBAGLBSA-N	-1	0	310.331	0.593	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CCO1	ZINC000385290846	971993439	/nfs/dbraw/zinc/99/34/39/971993439.db2.gz	YAYAQHXCUVWANF-MRVPVSSYSA-N	-1	0	314.294	0.437	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)c1[O-]	ZINC001284164492	954895048	/nfs/dbraw/zinc/89/50/48/954895048.db2.gz	ZGSNUIKIBBBDJY-PJXYFTJBSA-N	-1	0	316.361	0.270	20	30		DCEDRM
C=CCCOCC(=O)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001284962736	955360177	/nfs/dbraw/zinc/36/01/77/955360177.db2.gz	NCTSPCVYVQMGOH-UHFFFAOYSA-N	-1	0	322.365	0.205	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](OCC)C1	ZINC001351851699	955431471	/nfs/dbraw/zinc/43/14/71/955431471.db2.gz	KUACJYBREGKCAW-JTQLQIEISA-N	-1	0	304.354	0.303	20	30		DCEDRM
C=CCCCC(=O)N[C@H](CC)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001285077649	955449802	/nfs/dbraw/zinc/44/98/02/955449802.db2.gz	INAARRKZRWADOG-SECBINFHSA-N	-1	0	323.353	0.264	20	30		DCEDRM
COC(=O)N1CCC(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC001593856921	955510193	/nfs/dbraw/zinc/51/01/93/955510193.db2.gz	RVVWZARXIWMKLM-AWEZNQCLSA-N	-1	0	311.338	0.586	20	30		DCEDRM
COC(=O)N1CCC(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC001593856922	955510202	/nfs/dbraw/zinc/51/02/02/955510202.db2.gz	RVVWZARXIWMKLM-CQSZACIVSA-N	-1	0	311.338	0.586	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCC(=O)[O-]	ZINC001593867754	955602974	/nfs/dbraw/zinc/60/29/74/955602974.db2.gz	LUESJPLERNBDHZ-UHFFFAOYSA-N	-1	0	312.303	0.098	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1	ZINC001593914782	956010722	/nfs/dbraw/zinc/01/07/22/956010722.db2.gz	KLKLUWDISRLAQZ-ZDUSSCGKSA-N	-1	0	314.301	0.841	20	30		DCEDRM
C#CCCCCC(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001286009127	956120005	/nfs/dbraw/zinc/12/00/05/956120005.db2.gz	CKSAQQAYLYRZJI-UHFFFAOYSA-N	-1	0	318.377	0.900	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F	ZINC001353700798	956152331	/nfs/dbraw/zinc/15/23/31/956152331.db2.gz	JOHWNRPNMLKOSQ-GXTWGEPZSA-N	-1	0	322.336	0.564	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1	ZINC001594605452	956166367	/nfs/dbraw/zinc/16/63/67/956166367.db2.gz	DSJGJBAWFUPNQC-RQOWECAXSA-N	-1	0	317.301	0.575	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCC(=O)Nc1ccc(CC#N)cc1	ZINC001593930695	956174809	/nfs/dbraw/zinc/17/48/09/956174809.db2.gz	MMBNYCHAIFMIEA-HNNXBMFYSA-N	-1	0	320.301	0.724	20	30		DCEDRM
N#C[C@]12CN(Cc3ccc(C(=O)[O-])cc3)C[C@H]1CS(=O)(=O)C2	ZINC001594611920	956223303	/nfs/dbraw/zinc/22/33/03/956223303.db2.gz	MUWPDGSLSXRIPJ-DZGCQCFKSA-N	-1	0	320.370	0.755	20	30		DCEDRM
N#Cc1cc(CS(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cs1	ZINC001594616633	956242524	/nfs/dbraw/zinc/24/25/24/956242524.db2.gz	PBJSOJIEPPMVDY-SNVBAGLBSA-N	-1	0	316.360	0.235	20	30		DCEDRM
N#Cc1cccc(C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)n1	ZINC001594626034	956315009	/nfs/dbraw/zinc/31/50/09/956315009.db2.gz	RODHCUAFGFXRKZ-UHFFFAOYSA-N	-1	0	313.273	0.630	20	30		DCEDRM
C=Cc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001472603567	956360776	/nfs/dbraw/zinc/36/07/76/956360776.db2.gz	NBLVTYZYFNMJAG-UHFFFAOYSA-N	-1	0	310.313	0.894	20	30		DCEDRM
Cc1cc([C@H]2CCCN2c2[n-]c(=O)n(C)c(=O)c2C#N)no1	ZINC001413869101	956458802	/nfs/dbraw/zinc/45/88/02/956458802.db2.gz	LJBJWDJWZQQMTM-LLVKDONJSA-N	-1	0	301.306	0.583	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001287839375	956495168	/nfs/dbraw/zinc/49/51/68/956495168.db2.gz	UNAVERXTUGLXMI-BONVTDFDSA-N	-1	0	324.381	0.233	20	30		DCEDRM
CC(C)(C(=O)[O-])n1ccc(NC(=O)N2CCO[C@@](C)(C#N)C2)n1	ZINC001589182267	956535064	/nfs/dbraw/zinc/53/50/64/956535064.db2.gz	XANLZORKWUELHV-AWEZNQCLSA-N	-1	0	321.337	0.849	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001589183473	956546339	/nfs/dbraw/zinc/54/63/39/956546339.db2.gz	CVJKFDFHVUFMQY-LLNWESEBSA-N	-1	0	321.333	0.369	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001589183472	956546554	/nfs/dbraw/zinc/54/65/54/956546554.db2.gz	CVJKFDFHVUFMQY-LHNRBYRGSA-N	-1	0	321.333	0.369	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(c2nnc([C@H]3C[C@H]3C#N)n2C)C1	ZINC001593969778	956595115	/nfs/dbraw/zinc/59/51/15/956595115.db2.gz	DMSMDKUBMWMRPG-BHDSKKPTSA-N	-1	0	305.338	0.370	20	30		DCEDRM
C=C(C)CN(CC)c1nnc(-c2cc(=O)[nH][n-]2)n1CCOC	ZINC001355267942	956626127	/nfs/dbraw/zinc/62/61/27/956626127.db2.gz	JBLTZWOSDJPPPE-UHFFFAOYSA-N	-1	0	306.370	0.551	20	30		DCEDRM
C=CCn1cccc1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001292645036	957085075	/nfs/dbraw/zinc/08/50/75/957085075.db2.gz	SYFCFCRPSQEEPW-UHFFFAOYSA-N	-1	0	317.349	0.571	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001262204171	957275896	/nfs/dbraw/zinc/27/58/96/957275896.db2.gz	LXOLWTWGJMHZBH-UONOGXRCSA-N	-1	0	316.357	0.041	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001294726144	957573038	/nfs/dbraw/zinc/57/30/38/957573038.db2.gz	CCUQPPQBOMZXGC-BMIGLBTASA-N	-1	0	322.365	0.082	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-]	ZINC000150075053	957825847	/nfs/dbraw/zinc/82/58/47/957825847.db2.gz	YQRGBMUFYLQERR-LLVKDONJSA-N	-1	0	312.347	0.817	20	30		DCEDRM
CN(CCCC(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC001339506381	957861310	/nfs/dbraw/zinc/86/13/10/957861310.db2.gz	UQLIAUFQNABYBP-UHFFFAOYSA-N	-1	0	305.338	0.871	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N(OC)[C@H](C)C(=O)[O-]	ZINC001594049595	957968090	/nfs/dbraw/zinc/96/80/90/957968090.db2.gz	YIGMFTOJIGHXTE-SECBINFHSA-N	-1	0	308.290	0.809	20	30		DCEDRM
C#CCCCc1nnc(N2CC[C@@](COC)(C(=O)[O-])C2)n1C	ZINC001588390670	958012516	/nfs/dbraw/zinc/01/25/16/958012516.db2.gz	AWWKXZKLVDIADA-OAHLLOKOSA-N	-1	0	306.366	0.699	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)/C(=C\c1cccs1)NC(C)=O	ZINC001588394603	958035460	/nfs/dbraw/zinc/03/54/60/958035460.db2.gz	GDXGBMXAFVTPOL-XYOKQWHBSA-N	-1	0	306.343	0.772	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)Sc1nnnn1C1CC1	ZINC001588397740	958062765	/nfs/dbraw/zinc/06/27/65/958062765.db2.gz	SHNNCXBYLOKQPF-QMMMGPOBSA-N	-1	0	309.351	0.035	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc(OCC)c1	ZINC001588397965	958066958	/nfs/dbraw/zinc/06/69/58/958066958.db2.gz	ZUSBECPAXIPRIH-UHFFFAOYSA-N	-1	0	304.302	0.570	20	30		DCEDRM
Cc1cc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)ncc1C#N	ZINC001594316294	958067054	/nfs/dbraw/zinc/06/70/54/958067054.db2.gz	PMGUSSUOQVOPAJ-NSHDSACASA-N	-1	0	316.317	0.523	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCN1C[C@H]2CCCCN2C1=O	ZINC001588408447	958110120	/nfs/dbraw/zinc/11/01/20/958110120.db2.gz	NMYBPYNSTYSBML-GFCCVEGCSA-N	-1	0	322.365	0.006	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccnn1C[C@@H]1CCOC1	ZINC001588412851	958153021	/nfs/dbraw/zinc/15/30/21/958153021.db2.gz	KUWKRSTWMZJMDL-NSHDSACASA-N	-1	0	306.322	0.471	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc2cnn(CC)c2nc1C	ZINC001588416488	958164430	/nfs/dbraw/zinc/16/44/30/958164430.db2.gz	PVTVZFQZDSWFNN-UHFFFAOYSA-N	-1	0	300.318	0.920	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(S(C)(=O)=O)ccc1F	ZINC001588416841	958165636	/nfs/dbraw/zinc/16/56/36/958165636.db2.gz	VLWNFTFOAUCTCN-UHFFFAOYSA-N	-1	0	313.306	0.389	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C)n(C2CCOCC2)n1	ZINC001588417331	958171494	/nfs/dbraw/zinc/17/14/94/958171494.db2.gz	IOZMFVRAMJNFAC-UHFFFAOYSA-N	-1	0	305.334	0.703	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCC(=O)N[C@H]2C)n1CC	ZINC001588427013	958237939	/nfs/dbraw/zinc/23/79/39/958237939.db2.gz	JYSCMIIYPJVGSA-QWRGUYRKSA-N	-1	0	319.365	0.204	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CC)n1C[C@@H]1CCCCO1	ZINC001588427151	958240081	/nfs/dbraw/zinc/24/00/81/958240081.db2.gz	OKESNLDREOQDRO-LBPRGKRZSA-N	-1	0	306.366	0.934	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@]2(O)CCOC2)n1CC(C)C	ZINC001588427367	958244308	/nfs/dbraw/zinc/24/43/08/958244308.db2.gz	VIYDVLSCGHZXOZ-HNNXBMFYSA-N	-1	0	322.365	0.066	20	30		DCEDRM
Cc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c(F)c1	ZINC001361728245	958259395	/nfs/dbraw/zinc/25/93/95/958259395.db2.gz	QNWJDTPQRDMEGT-UHFFFAOYSA-N	-1	0	302.265	0.907	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001588430676	958260721	/nfs/dbraw/zinc/26/07/21/958260721.db2.gz	FYSOEXGNCWZFTG-IRDPIATMSA-N	-1	0	323.345	0.137	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2ccccc2Cl)c(=O)[n-]c1=O	ZINC001361743065	958275837	/nfs/dbraw/zinc/27/58/37/958275837.db2.gz	NVFUCYKMGKXZOT-UHFFFAOYSA-N	-1	0	318.720	0.790	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC[C@H]2C(=O)[O-])n1	ZINC001588433881	958301551	/nfs/dbraw/zinc/30/15/51/958301551.db2.gz	XKLFBWHWYCYVRD-ZIAGYGMSSA-N	-1	0	319.361	0.602	20	30		DCEDRM
C#Cc1ccc(C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)nc1	ZINC001588439443	958318138	/nfs/dbraw/zinc/31/81/38/958318138.db2.gz	VJLRCOAIBUQGQD-UHFFFAOYSA-N	-1	0	312.285	0.740	20	30		DCEDRM
C#Cc1cccc(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)c1	ZINC001588440100	958328149	/nfs/dbraw/zinc/32/81/49/958328149.db2.gz	YOWZORIDPMMQGC-UHFFFAOYSA-N	-1	0	321.354	0.886	20	30		DCEDRM
C[C@H]1CCC[C@@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001361813308	958360824	/nfs/dbraw/zinc/36/08/24/958360824.db2.gz	NIMGYEIJHYXOKB-CMPLNLGQSA-N	-1	0	304.350	0.906	20	30		DCEDRM
COc1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1C#N	ZINC001594093924	958383914	/nfs/dbraw/zinc/38/39/14/958383914.db2.gz	ATGOBSHHNMVDMK-LBPRGKRZSA-N	-1	0	324.358	0.250	20	30		DCEDRM
COc1ccc(CNC(=O)c2cnc(C(=O)[O-])cn2)cc1C#N	ZINC001594094842	958395662	/nfs/dbraw/zinc/39/56/62/958395662.db2.gz	VSOZILYPMXBZBS-UHFFFAOYSA-N	-1	0	312.285	0.985	20	30		DCEDRM
N#CCc1ccc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001361868120	958425854	/nfs/dbraw/zinc/42/58/54/958425854.db2.gz	KQTXVQQEPBIMLJ-UHFFFAOYSA-N	-1	0	323.312	0.915	20	30		DCEDRM
CCN(C[C@@H]1CCOC1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361924282	958495220	/nfs/dbraw/zinc/49/52/20/958495220.db2.gz	NMXUBOKFOTYMAB-NSHDSACASA-N	-1	0	320.349	0.096	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1	ZINC001588465230	958497799	/nfs/dbraw/zinc/49/77/99/958497799.db2.gz	RLHOCNQPJQJSRL-WXRRBKDZSA-N	-1	0	324.377	0.550	20	30		DCEDRM
C=CCOC(=O)N1CCC(OC(=O)[C@](C)(OC)C(=O)[O-])CC1	ZINC001588465303	958499767	/nfs/dbraw/zinc/49/97/67/958499767.db2.gz	ZRKNNHABUXYHSC-CQSZACIVSA-N	-1	0	315.322	0.806	20	30		DCEDRM
C=CCN1CC[C@H](n2cc(CN3CCC[C@@H]3C(=O)[O-])nn2)C1=O	ZINC001588465463	958502671	/nfs/dbraw/zinc/50/26/71/958502671.db2.gz	KZXASFLYTKHVHP-QWHCGFSZSA-N	-1	0	319.365	0.287	20	30		DCEDRM
C=CCOCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001588466471	958513410	/nfs/dbraw/zinc/51/34/10/958513410.db2.gz	SHPIGJMJSAIOEW-VHSXEESVSA-N	-1	0	324.299	0.785	20	30		DCEDRM
Cc1noc(C)c1N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361946091	958524492	/nfs/dbraw/zinc/52/44/92/958524492.db2.gz	UDAQPOGCVNQCRH-UHFFFAOYSA-N	-1	0	317.305	0.479	20	30		DCEDRM
C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001588473437	958552194	/nfs/dbraw/zinc/55/21/94/958552194.db2.gz	ZKPUGHGQSLKIKV-QWRGUYRKSA-N	-1	0	319.365	0.716	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc2n(c1C(=O)[O-])CCOC2	ZINC001588478767	958572815	/nfs/dbraw/zinc/57/28/15/958572815.db2.gz	VSKZIXXTZLJWKE-BDAKNGLRSA-N	-1	0	307.306	0.641	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC001573362373	958597950	/nfs/dbraw/zinc/59/79/50/958597950.db2.gz	AKRCQQWYYCQBAT-GGLDHJKQSA-N	-1	0	314.363	0.215	20	30		DCEDRM
CN(Cc1ccc(F)cc1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362014926	958609798	/nfs/dbraw/zinc/60/97/98/958609798.db2.gz	OVVMJQYMTBYGMY-UHFFFAOYSA-N	-1	0	316.292	0.618	20	30		DCEDRM
C[C@@H]1c2cccn2CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362049189	958652233	/nfs/dbraw/zinc/65/22/33/958652233.db2.gz	VHRMDYFLFMXZSI-SNVBAGLBSA-N	-1	0	313.317	0.225	20	30		DCEDRM
COc1cccc(NC(=O)[C@H](C#N)C(=O)COCC(=O)[O-])c1	ZINC001594131037	958667492	/nfs/dbraw/zinc/66/74/92/958667492.db2.gz	GIOLLEZZYGOWSQ-LLVKDONJSA-N	-1	0	306.274	0.444	20	30		DCEDRM
CSc1ccncc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362067908	958684806	/nfs/dbraw/zinc/68/48/06/958684806.db2.gz	UGHVAAAVCNEMTF-UHFFFAOYSA-N	-1	0	317.330	0.576	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccccc1S(C)(=O)=O	ZINC001588542321	958970329	/nfs/dbraw/zinc/97/03/29/958970329.db2.gz	WPFDROSKUNJGSJ-CQSZACIVSA-N	-1	0	324.358	0.711	20	30		DCEDRM
C[C@H]1C[C@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001362240408	958985085	/nfs/dbraw/zinc/98/50/85/958985085.db2.gz	BWMTZDLQSUSYJZ-WDEREUQCSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C[C@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)n1cnc(C#N)n1	ZINC001588549058	959008610	/nfs/dbraw/zinc/00/86/10/959008610.db2.gz	RBRASXARPRNLAO-MNOVXSKESA-N	-1	0	305.338	0.814	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[S@](=O)CC(F)(F)F	ZINC001588557718	959071494	/nfs/dbraw/zinc/07/14/94/959071494.db2.gz	KMWFWYPZKZPHMJ-LXGOIASLSA-N	-1	0	314.285	0.418	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC001588585792	959309499	/nfs/dbraw/zinc/30/94/99/959309499.db2.gz	PGVAFFXGHBJAKP-SKDRFNHKSA-N	-1	0	302.286	0.927	20	30		DCEDRM
C[C@@H](C(=O)OCC1(C(=O)[O-])CCOCC1)n1cnc(C#N)n1	ZINC001588607110	959482665	/nfs/dbraw/zinc/48/26/65/959482665.db2.gz	PPDDPYLQKGNKAH-VIFPVBQESA-N	-1	0	308.294	0.135	20	30		DCEDRM
COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362505700	959487416	/nfs/dbraw/zinc/48/74/16/959487416.db2.gz	KCRBPKDTQAMOAE-CMPLNLGQSA-N	-1	0	319.317	0.106	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@H](c2ncon2)C1	ZINC001362567887	959613535	/nfs/dbraw/zinc/61/35/35/959613535.db2.gz	GOTFWQQPDOBWEQ-JTQLQIEISA-N	-1	0	315.289	0.564	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CCS(C)(=O)=O)C1CC1	ZINC001362598627	959671038	/nfs/dbraw/zinc/67/10/38/959671038.db2.gz	DILSPBGVTNENOV-UHFFFAOYSA-N	-1	0	323.374	0.617	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)[C@@H]1C	ZINC001362604994	959682898	/nfs/dbraw/zinc/68/28/98/959682898.db2.gz	NOCSTWWIWVJJJO-KOLCDFICSA-N	-1	0	303.318	0.991	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC=C(Cl)Cl)c(=O)[n-]c1=O	ZINC001362611055	959695846	/nfs/dbraw/zinc/69/58/46/959695846.db2.gz	GEGJMLVZIPEZQF-UHFFFAOYSA-N	-1	0	317.132	0.646	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC2CC3(CCC3)C2)c(=O)[n-]c1=O	ZINC001362630965	959732957	/nfs/dbraw/zinc/73/29/57/959732957.db2.gz	NBXLFUMSAXZOPH-UHFFFAOYSA-N	-1	0	302.334	0.660	20	30		DCEDRM
C[C@@H](OC(=O)[C@]1(C(=O)[O-])CC1(C)C)C(=O)NC1(C#N)CCC1	ZINC001603268431	972466941	/nfs/dbraw/zinc/46/69/41/972466941.db2.gz	JGZDCRZOAMSLQQ-RFAUZJTJSA-N	-1	0	308.334	0.981	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)cn1	ZINC000228697441	960038211	/nfs/dbraw/zinc/03/82/11/960038211.db2.gz	LXRMUKIANXJHQM-NSHDSACASA-N	-1	0	313.360	0.192	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC=C(Cl)Cl)c(=O)[n-]c1=O	ZINC001362865361	960107121	/nfs/dbraw/zinc/10/71/21/960107121.db2.gz	DZZZOYVACPOWSD-UHFFFAOYSA-N	-1	0	303.105	0.256	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC(CO)(CO)CC1	ZINC001362864441	960107127	/nfs/dbraw/zinc/10/71/27/960107127.db2.gz	OIBYZTSVIPGWBZ-UHFFFAOYSA-N	-1	0	305.334	0.174	20	30		DCEDRM
C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC001309800856	960207285	/nfs/dbraw/zinc/20/72/85/960207285.db2.gz	AVWWWWVSYYGGEF-QMMMGPOBSA-N	-1	0	320.392	0.535	20	30		DCEDRM
C[C@@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001363000415	960280732	/nfs/dbraw/zinc/28/07/32/960280732.db2.gz	JYTXNGMWMMZVRG-SNVBAGLBSA-N	-1	0	304.350	0.763	20	30		DCEDRM
CC[C@@H]1CCC[C@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363128033	960439534	/nfs/dbraw/zinc/43/95/34/960439534.db2.gz	KILPQJWUHIWOSH-ZYHUDNBSSA-N	-1	0	304.350	0.763	20	30		DCEDRM
Cn1nc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1C1CC1	ZINC001363138030	960459864	/nfs/dbraw/zinc/45/98/64/960459864.db2.gz	BSLALOUTCXGOSA-UHFFFAOYSA-N	-1	0	314.305	0.070	20	30		DCEDRM
C[C@H](c1ccccc1)[C@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363147568	960481017	/nfs/dbraw/zinc/48/10/17/960481017.db2.gz	FJLRJBCBBGUAJK-MFKMUULPSA-N	-1	0	314.345	0.522	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCC(=O)Nc2ccccc2)c(C#N)c1=O	ZINC001363154420	960495418	/nfs/dbraw/zinc/49/54/18/960495418.db2.gz	WOFJKFDNLHZRQD-UHFFFAOYSA-N	-1	0	313.317	0.386	20	30		DCEDRM
N#Cc1cnc(C(=O)Nc2ncn(CC(=O)[O-])n2)c(Cl)c1	ZINC001574249386	960502645	/nfs/dbraw/zinc/50/26/45/960502645.db2.gz	WANBUPITXFXTLM-UHFFFAOYSA-N	-1	0	306.669	0.535	20	30		DCEDRM
CN(C[C@@H](O)c1cccc(C#N)c1)[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001604125054	972531541	/nfs/dbraw/zinc/53/15/41/972531541.db2.gz	YOPNFJLCFUOWRC-UONOGXRCSA-N	-1	0	317.345	0.209	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H]2CCNC(=O)[C@@H]21	ZINC001363335628	960924442	/nfs/dbraw/zinc/92/44/42/960924442.db2.gz	AQDVSACLYNRQTE-ZWNOBZJWSA-N	-1	0	314.345	0.708	20	30		DCEDRM
C[C@@H]1CN(C(=O)Cc2ccccc2CC#N)C[C@@H](C(=O)[O-])O1	ZINC001571076987	960964588	/nfs/dbraw/zinc/96/45/88/960964588.db2.gz	QNGRLVLXZDMQQK-RISCZKNCSA-N	-1	0	302.330	0.996	20	30		DCEDRM
N#CC[C@@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)C(F)(F)F	ZINC001571084564	961033993	/nfs/dbraw/zinc/03/39/93/961033993.db2.gz	LCANXRLMWGHTHG-ZCFIWIBFSA-N	-1	0	305.216	0.934	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2CC[C@H](C#N)C2)c(=O)[n-]c1=O	ZINC001363423566	961123909	/nfs/dbraw/zinc/12/39/09/961123909.db2.gz	WRTGRKJYWFIGHH-GXSJLCMTSA-N	-1	0	301.306	0.019	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1coc(C#N)c1	ZINC001571093082	961135135	/nfs/dbraw/zinc/13/51/35/961135135.db2.gz	ZGUUXAZWJVJEAO-KWQFWETISA-N	-1	0	306.274	0.630	20	30		DCEDRM
Cc1cccc([C@H](NC(=O)[C@@H](C)n2cnc(C#N)n2)C(=O)[O-])c1	ZINC001574387069	961136313	/nfs/dbraw/zinc/13/63/13/961136313.db2.gz	CWAABTPYZLZUNQ-MFKMUULPSA-N	-1	0	313.317	0.961	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@H]2CCC3(CCC3)O2)c(=O)[n-]c1=O	ZINC001363533743	961381245	/nfs/dbraw/zinc/38/12/45/961381245.db2.gz	UKKXVSVEGJJDOB-LLVKDONJSA-N	-1	0	318.333	0.038	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)CCc1nnn[n-]1)C(=O)OCC	ZINC001363597934	961523986	/nfs/dbraw/zinc/52/39/86/961523986.db2.gz	RKNYIGNSOQGDER-QMMMGPOBSA-N	-1	0	301.734	0.323	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C#N)cn2)C[C@H]1C(=O)[O-]	ZINC001571138183	961634038	/nfs/dbraw/zinc/63/40/38/961634038.db2.gz	RMJMDJCPIJIRCW-NXEZZACHSA-N	-1	0	318.289	0.291	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001571139842	961652600	/nfs/dbraw/zinc/65/26/00/961652600.db2.gz	OFNKBQLESWYPAT-UWVGGRQHSA-N	-1	0	318.333	0.966	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cn1	ZINC001574490120	961710968	/nfs/dbraw/zinc/71/09/68/961710968.db2.gz	WTSFPWSQHWJKFT-QWHCGFSZSA-N	-1	0	321.358	0.685	20	30		DCEDRM
C[C@@]1(C#N)CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1	ZINC001363743106	961797031	/nfs/dbraw/zinc/79/70/31/961797031.db2.gz	LSPONUOWUUBYIQ-CQSZACIVSA-N	-1	0	315.289	0.191	20	30		DCEDRM
CC1(C)CCC[C@H](CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)O1	ZINC001363865403	962046546	/nfs/dbraw/zinc/04/65/46/962046546.db2.gz	MGVFSNYQKZMTMS-LLVKDONJSA-N	-1	0	320.349	0.284	20	30		DCEDRM
C[C@H]1CCC[C@@H]1CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364106843	962481702	/nfs/dbraw/zinc/48/17/02/962481702.db2.gz	HWXFOENQUSYKQV-WDEREUQCSA-N	-1	0	304.350	0.763	20	30		DCEDRM
COc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1O	ZINC001364152998	962569770	/nfs/dbraw/zinc/56/97/70/962569770.db2.gz	SNSPEOLYDMSCQN-UHFFFAOYSA-N	-1	0	302.290	0.272	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@@H](O)[C@H](C3CCCC3)C2)c(C#N)c1=O	ZINC001364191047	962645052	/nfs/dbraw/zinc/64/50/52/962645052.db2.gz	NIDXLNPERYQLHC-QWHCGFSZSA-N	-1	0	318.377	0.323	20	30		DCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H](O)c1ccccc1	ZINC001364195611	962653190	/nfs/dbraw/zinc/65/31/90/962653190.db2.gz	RJAYAVNSGZUMFG-JOYOIKCWSA-N	-1	0	300.318	0.479	20	30		DCEDRM
COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)cn1	ZINC001574159116	962699942	/nfs/dbraw/zinc/69/99/42/962699942.db2.gz	LGQVCXKUMHONLA-UHFFFAOYSA-N	-1	0	313.335	0.065	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)NC(=O)CNC(=O)[O-])cc1	ZINC001573311891	962715231	/nfs/dbraw/zinc/71/52/31/962715231.db2.gz	IRGCRJYKNRLUDL-WDEREUQCSA-N	-1	0	317.345	0.559	20	30		DCEDRM
C=C(C)CCC(=O)NC1(CCO)CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573324215	962782090	/nfs/dbraw/zinc/78/20/90/962782090.db2.gz	OYDKZLSFRCTDAL-RYUDHWBXSA-N	-1	0	324.377	0.143	20	30		DCEDRM
COC(=O)c1cccc(Cn2c(=O)[n-]cc(C#N)c2=O)c1Cl	ZINC001364280148	962806417	/nfs/dbraw/zinc/80/64/17/962806417.db2.gz	MYIKGNKXLPFQKS-UHFFFAOYSA-N	-1	0	319.704	0.897	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O	ZINC001573332705	962840139	/nfs/dbraw/zinc/84/01/39/962840139.db2.gz	NORMPXDSCMRWFX-GHMZBOCLSA-N	-1	0	318.395	0.242	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N(C)CCN(C)C(=O)CNC(=O)[O-]	ZINC001573339386	962888996	/nfs/dbraw/zinc/88/89/96/962888996.db2.gz	RYRRMFLFEDMJKR-UHFFFAOYSA-N	-1	0	319.789	0.950	20	30		DCEDRM
C=CCCC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)CNC(=O)[O-]	ZINC001573352879	962994898	/nfs/dbraw/zinc/99/48/98/962994898.db2.gz	LYRSPCGELYYTLV-NEPJUHHUSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=CCCC(=O)N1CC2(C1)CCCN(C(=O)CNC(=O)[O-])C2	ZINC001573353462	963002483	/nfs/dbraw/zinc/00/24/83/963002483.db2.gz	WBHIVMDLTUHGPT-UHFFFAOYSA-N	-1	0	309.366	0.671	20	30		DCEDRM
C=CCCC1(C(=O)N[C@@H](C)CN(C)C(=O)CNC(=O)[O-])CC1	ZINC001573357758	963019707	/nfs/dbraw/zinc/01/97/07/963019707.db2.gz	SDLCCRAJPNGTID-NSHDSACASA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=CCCC[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)[O-]	ZINC001573358022	963024600	/nfs/dbraw/zinc/02/46/00/963024600.db2.gz	WAWAGMUSIZQHTI-JTQLQIEISA-N	-1	0	320.411	0.630	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)[O-]	ZINC001573367457	963066063	/nfs/dbraw/zinc/06/60/63/963066063.db2.gz	WIMMNVHPNSMGTI-MRVPVSSYSA-N	-1	0	316.335	0.466	20	30		DCEDRM
C=CCN1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)C1	ZINC001573368294	963077828	/nfs/dbraw/zinc/07/78/28/963077828.db2.gz	LTOUTFYKVYDRPY-UONOGXRCSA-N	-1	0	308.378	0.585	20	30		DCEDRM
C=CCOCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(=O)NC	ZINC001573368698	963084973	/nfs/dbraw/zinc/08/49/73/963084973.db2.gz	KJAZGDUMCYWFQA-UHFFFAOYSA-N	-1	0	322.317	0.651	20	30		DCEDRM
CC(C)(C(=O)[O-])n1cc(NC(=O)[C@]2(C#N)CCCOC2)cn1	ZINC001573407366	963149154	/nfs/dbraw/zinc/14/91/54/963149154.db2.gz	JPGHFNFANHGJLC-AWEZNQCLSA-N	-1	0	306.322	0.962	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H](S(C)(=O)=O)C1	ZINC001447365618	1013399895	/nfs/dbraw/zinc/39/98/95/1013399895.db2.gz	VHGWFRLDXCJLMD-LLVKDONJSA-N	-1	0	323.374	0.617	20	30		DCEDRM
N#CCCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000314904682	963826917	/nfs/dbraw/zinc/82/69/17/963826917.db2.gz	IEHFARKVBFSNGX-UHFFFAOYSA-N	-1	0	308.319	0.598	20	30		DCEDRM
C#CCCCc1nnc(N2CC[C@](OC)(C(=O)[O-])C2)n1CC	ZINC001588446319	964070973	/nfs/dbraw/zinc/07/09/73/964070973.db2.gz	DVTTYWVHEOAJTJ-OAHLLOKOSA-N	-1	0	306.366	0.934	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CC(CNC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001369621594	965221334	/nfs/dbraw/zinc/22/13/34/965221334.db2.gz	QLBLJGHECOJRFV-CUUXFQNZSA-N	-1	0	305.338	0.208	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc2c1CCNC2=O	ZINC001609692942	970451564	/nfs/dbraw/zinc/45/15/64/970451564.db2.gz	GTKPGYXHLBGMOI-HNNXBMFYSA-N	-1	0	301.302	0.916	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC001609696231	970456021	/nfs/dbraw/zinc/45/60/21/970456021.db2.gz	DGCXWFVNXLZYQM-VXGBXAGGSA-N	-1	0	309.366	0.708	20	30		DCEDRM
Cc1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)ncc1C#N	ZINC001600078032	970756612	/nfs/dbraw/zinc/75/66/12/970756612.db2.gz	TVLVYJSHQPSQLU-UHFFFAOYSA-N	-1	0	303.318	0.968	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)ncc1C#N	ZINC001605193020	972915507	/nfs/dbraw/zinc/91/55/07/972915507.db2.gz	XVIZUVQCWGTKSG-UHFFFAOYSA-N	-1	0	316.317	0.571	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)NC1(c2cccc(C#N)c2)CCOCC1	ZINC001604424535	973208492	/nfs/dbraw/zinc/20/84/92/973208492.db2.gz	QWOLRPBPSUGYIU-ZDUSSCGKSA-N	-1	0	318.329	0.780	20	30		DCEDRM
Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)C#CC3CC3)C2)cn1	ZINC001605484073	973607952	/nfs/dbraw/zinc/60/79/52/973607952.db2.gz	SLGZYUMBKDQDPP-STQMWFEESA-N	-1	0	301.346	0.850	20	30		DCEDRM
N#CC1(CNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CCOCC1	ZINC001605575625	973838872	/nfs/dbraw/zinc/83/88/72/973838872.db2.gz	BFRFYMFKRYJGHU-NEPJUHHUSA-N	-1	0	310.350	0.693	20	30		DCEDRM
N#C[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C1CCCC1	ZINC001605576718	973851116	/nfs/dbraw/zinc/85/11/16/973851116.db2.gz	SHZJOHGYWVVNCX-LBPRGKRZSA-N	-1	0	303.318	0.745	20	30		DCEDRM
COc1ccccc1Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001604893017	974150689	/nfs/dbraw/zinc/15/06/89/974150689.db2.gz	RZRYFOMPSUZEDX-UHFFFAOYSA-N	-1	0	315.285	0.023	20	30		DCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cnc2c(C#N)cnn2c1	ZINC001591712413	975606417	/nfs/dbraw/zinc/60/64/17/975606417.db2.gz	SDNYLCHFEUHRCV-CYBMUJFWSA-N	-1	0	317.349	0.911	20	30		DCEDRM
C[C@H](CC#N)NC(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001592221918	977402797	/nfs/dbraw/zinc/40/27/97/977402797.db2.gz	ONYSGYKTZKXQCJ-SSDOTTSWSA-N	-1	0	324.362	0.862	20	30		DCEDRM
N#CCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC000738425285	978536275	/nfs/dbraw/zinc/53/62/75/978536275.db2.gz	DQRKFFJRUQKJBO-UHFFFAOYSA-N	-1	0	309.347	0.215	20	30		DCEDRM
C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001592648101	978630642	/nfs/dbraw/zinc/63/06/42/978630642.db2.gz	YUDGEANUDNEHSJ-JQWIXIFHSA-N	-1	0	315.329	0.748	20	30		DCEDRM
C#CCN(C)c1nnc(-c2c[n-]n(CC)c2=O)n1CCOC	ZINC001523000297	1014510012	/nfs/dbraw/zinc/51/00/12/1014510012.db2.gz	STJHJZMEUUCGMB-UHFFFAOYSA-N	-1	0	304.354	0.583	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnn2c1CCC2	ZINC001523998449	1014822440	/nfs/dbraw/zinc/82/24/40/1014822440.db2.gz	DTJWPPRADKQBPN-LLVKDONJSA-N	-1	0	304.350	0.695	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC001588369653	983316177	/nfs/dbraw/zinc/31/61/77/983316177.db2.gz	RWQCKDGFMVMTJZ-GXFFZTMASA-N	-1	0	316.313	0.393	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-])[C@H]1CCCO1	ZINC001588370795	983322324	/nfs/dbraw/zinc/32/23/24/983322324.db2.gz	NKBUZTXXVKOIST-GXSJLCMTSA-N	-1	0	319.317	0.257	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC001588371219	983325805	/nfs/dbraw/zinc/32/58/05/983325805.db2.gz	ZAONNCBNOQVGDO-VIFPVBQESA-N	-1	0	308.290	0.518	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cccnc1C(=O)[O-])[C@H]1CCCO1	ZINC001588375879	983348166	/nfs/dbraw/zinc/34/81/66/983348166.db2.gz	LMEFQEWXVRNAJQ-VHSXEESVSA-N	-1	0	310.331	0.239	20	30		DCEDRM
C#CC1(O)CN(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)C1	ZINC001588379427	983364019	/nfs/dbraw/zinc/36/40/19/983364019.db2.gz	HITIFGRLMMJWQT-UHFFFAOYSA-N	-1	0	320.301	0.614	20	30		DCEDRM
C#CC1(O)CN(C(=O)c2ccc(OCC(=O)[O-])c(OCC)c2)C1	ZINC001588379827	983366128	/nfs/dbraw/zinc/36/61/28/983366128.db2.gz	SYXSLJMZFWBFMG-UHFFFAOYSA-N	-1	0	319.313	0.369	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC001588383772	983383981	/nfs/dbraw/zinc/38/39/81/983383981.db2.gz	KCPSQXVXXPBPBK-HUUCEWRRSA-N	-1	0	316.357	0.974	20	30		DCEDRM
C#C[C@@H]1COCCN1CN1Cc2ccc(C(=O)[O-])cc2C1=O	ZINC001588383933	983385563	/nfs/dbraw/zinc/38/55/63/983385563.db2.gz	PSZBGKOMOAMXEF-CYBMUJFWSA-N	-1	0	300.314	0.632	20	30		DCEDRM
C#C[C@@H]1COCCN1CC(=O)N(C)c1ccccc1C(=O)[O-]	ZINC001588384018	983386476	/nfs/dbraw/zinc/38/64/76/983386476.db2.gz	SJWIMQJDAKTBHR-GFCCVEGCSA-N	-1	0	302.330	0.682	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1O)C(=O)[O-]	ZINC001588405227	983420474	/nfs/dbraw/zinc/42/04/74/983420474.db2.gz	KXTHDTIIHNDZJQ-GFCCVEGCSA-N	-1	0	318.329	0.413	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1Cc2cc(F)ccc2NC1=O)C(=O)[O-]	ZINC001588405632	983422254	/nfs/dbraw/zinc/42/22/54/983422254.db2.gz	HWGAMMUSVTZJNP-JQWIXIFHSA-N	-1	0	304.277	0.529	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1cccc(N2CCCC2=O)c1)C(=O)[O-]	ZINC001588407859	983429518	/nfs/dbraw/zinc/42/95/18/983429518.db2.gz	PYMLBLADBHPRQG-CQSZACIVSA-N	-1	0	314.341	0.949	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1)C(=O)[O-]	ZINC001588414052	983432887	/nfs/dbraw/zinc/43/28/87/983432887.db2.gz	NCQORZCELLLRCZ-QMMMGPOBSA-N	-1	0	307.306	0.571	20	30		DCEDRM
C#CCCOc1ccc(C(=O)N[C@H](CC(=O)OC)C(=O)[O-])cc1	ZINC001588455166	983478709	/nfs/dbraw/zinc/47/87/09/983478709.db2.gz	FTZYMYRMHDVNQT-CYBMUJFWSA-N	-1	0	319.313	0.835	20	30		DCEDRM
C#CCCS(=O)(=O)N[C@@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C	ZINC001588457841	983482373	/nfs/dbraw/zinc/48/23/73/983482373.db2.gz	HUDIAVGNECVXSN-ZWNOBZJWSA-N	-1	0	303.380	0.588	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1	ZINC001588465947	983497451	/nfs/dbraw/zinc/49/74/51/983497451.db2.gz	ONBUBXUIXWNBDP-UHFFFAOYSA-N	-1	0	322.342	0.679	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C(=O)[O-])nn1C	ZINC001588466025	983497788	/nfs/dbraw/zinc/49/77/88/983497788.db2.gz	ROWYVRWZZXYPKK-UHFFFAOYSA-N	-1	0	321.333	0.535	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)cc1	ZINC001588498103	983543275	/nfs/dbraw/zinc/54/32/75/983543275.db2.gz	WKFGCUKZRAOCPH-UHFFFAOYSA-N	-1	0	316.313	0.761	20	30		DCEDRM
C#CCOCCn1nnnc1N1Cc2ccc(C(=O)[O-])cc2C1	ZINC001588499306	983545421	/nfs/dbraw/zinc/54/54/21/983545421.db2.gz	WMWJXMVEZCVDFN-UHFFFAOYSA-N	-1	0	313.317	0.541	20	30		DCEDRM
C#Cc1cncc(C(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(=O)OC)c1	ZINC001588528602	983577155	/nfs/dbraw/zinc/57/71/55/983577155.db2.gz	CMMUHLXARLSTBT-AAEUAGOBSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588533975	983584979	/nfs/dbraw/zinc/58/49/79/983584979.db2.gz	CNSSIVCMAOXZLX-HUBLWGQQSA-N	-1	0	312.366	0.853	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001588536992	983597187	/nfs/dbraw/zinc/59/71/87/983597187.db2.gz	WJAICEBLEKPBAK-MNOVXSKESA-N	-1	0	303.380	0.894	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CCCn1ccc(C(=O)OC)n1)C(=O)[O-]	ZINC001588540761	983604885	/nfs/dbraw/zinc/60/48/85/983604885.db2.gz	MMBPKHWYHQWLCQ-LBPRGKRZSA-N	-1	0	323.349	0.986	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1)C(=O)[O-]	ZINC001588555203	983633456	/nfs/dbraw/zinc/63/34/56/983633456.db2.gz	BFDKOARONYNPDN-KXUCPTDWSA-N	-1	0	305.352	0.277	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cccnc1OC)C(=O)[O-]	ZINC001588555325	983634260	/nfs/dbraw/zinc/63/42/60/983634260.db2.gz	FNSGAPFAHDJKHY-VIFPVBQESA-N	-1	0	300.336	0.788	20	30		DCEDRM
C=C(C)CCn1nnnc1N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588561637	983642366	/nfs/dbraw/zinc/64/23/66/983642366.db2.gz	RLVRIWKJVIFWGX-CYBMUJFWSA-N	-1	0	306.326	0.449	20	30		DCEDRM
C=C(C)COCCNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1	ZINC001588569761	983649745	/nfs/dbraw/zinc/64/97/45/983649745.db2.gz	JNVOSNADGUCRED-UHFFFAOYSA-N	-1	0	308.338	0.809	20	30		DCEDRM
C=C(C)Cn1c([C@H](O)CC)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588591085	983671721	/nfs/dbraw/zinc/67/17/21/983671721.db2.gz	DXINNGPWATYCCN-GHMZBOCLSA-N	-1	0	310.354	0.587	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](n1cncn1)C(F)(F)F	ZINC001588623116	983726568	/nfs/dbraw/zinc/72/65/68/983726568.db2.gz	JTMRLIOLCWWEEV-MRVPVSSYSA-N	-1	0	306.244	0.919	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCOC[C@H]1OCCOC	ZINC001588623626	983729026	/nfs/dbraw/zinc/72/90/26/983729026.db2.gz	UGSTUVZMWMFNGC-NWDGAFQWSA-N	-1	0	301.339	0.344	20	30		DCEDRM
C=C(CNC(=O)NCCC(=O)NCCC(=O)[O-])c1ccccc1	ZINC001588636285	983753953	/nfs/dbraw/zinc/75/39/53/983753953.db2.gz	ADLIKUNRWMXQRA-UHFFFAOYSA-N	-1	0	319.361	0.980	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)OCC	ZINC001588641408	983762037	/nfs/dbraw/zinc/76/20/37/983762037.db2.gz	AWMUYVLZVYRASY-LPEHRKFASA-N	-1	0	319.741	0.809	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@H](O)CNc2ncc(C(=O)[O-])cn2)C1	ZINC001588643818	983767292	/nfs/dbraw/zinc/76/72/92/983767292.db2.gz	UJPSMPNAWQATHV-NSHDSACASA-N	-1	0	320.349	0.420	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN(CC(=O)N2CCCCCC2)CC1	ZINC001588670091	983818234	/nfs/dbraw/zinc/81/82/34/983818234.db2.gz	VRWDNSOOSULBIF-CQSZACIVSA-N	-1	0	309.410	0.646	20	30		DCEDRM
C=C[C@H](C(=O)OC)n1cc(CN2CCCC[C@H]2C(=O)[O-])nn1	ZINC001588671664	983821037	/nfs/dbraw/zinc/82/10/37/983821037.db2.gz	FHRFGLOCDJEESY-NEPJUHHUSA-N	-1	0	308.338	0.617	20	30		DCEDRM
C=CC(C)(C)Cn1nnnc1N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588680622	983836115	/nfs/dbraw/zinc/83/61/15/983836115.db2.gz	BLJBMNNDOJGMMD-XHDPSFHLSA-N	-1	0	321.381	0.813	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCCN(CC)c1ccnc(C(=O)[O-])n1	ZINC001588684465	983859398	/nfs/dbraw/zinc/85/93/98/983859398.db2.gz	RGBPVTMPRDODMG-HNNXBMFYSA-N	-1	0	322.365	0.444	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001588684858	983865129	/nfs/dbraw/zinc/86/51/29/983865129.db2.gz	ZNLXVWJATIAUGG-YMTOWFKASA-N	-1	0	308.338	0.419	20	30		DCEDRM
C=C[C@H](COC)NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC	ZINC001588692554	983883883	/nfs/dbraw/zinc/88/38/83/983883883.db2.gz	DMMHMXIVFFBKJH-SNVBAGLBSA-N	-1	0	315.347	0.873	20	30		DCEDRM
CCN(c1ncc(C(=O)[O-])cn1)[C@H](C)CNC(=O)C#CC1CC1	ZINC001596388457	983918385	/nfs/dbraw/zinc/91/83/85/983918385.db2.gz	SWSMUANDBMKDTR-LLVKDONJSA-N	-1	0	316.361	0.919	20	30		DCEDRM
CCN1C[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1=O	ZINC001596398604	983951877	/nfs/dbraw/zinc/95/18/77/983951877.db2.gz	ZTQGGTHCXLECBW-SNVBAGLBSA-N	-1	0	308.338	0.007	20	30		DCEDRM
C=CC[C@@H](C(=O)OC)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588731172	984005773	/nfs/dbraw/zinc/00/57/73/984005773.db2.gz	DMBBYEZMDHXBPM-PWSUYJOCSA-N	-1	0	308.338	0.731	20	30		DCEDRM
C=CC[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1ccncc1	ZINC001588742728	984034211	/nfs/dbraw/zinc/03/42/11/984034211.db2.gz	KGAXIMDSYUYIBU-AVGNSLFASA-N	-1	0	317.345	0.794	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C(=O)OCC	ZINC001588749645	984067446	/nfs/dbraw/zinc/06/74/46/984067446.db2.gz	NYVQDNBDQAZNDJ-SECBINFHSA-N	-1	0	305.352	0.421	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)CC1	ZINC001588768735	984131010	/nfs/dbraw/zinc/13/10/10/984131010.db2.gz	CJHCPXRZJVYOFN-RYUDHWBXSA-N	-1	0	324.377	0.238	20	30		DCEDRM
CCN1CCO[C@@H](C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001596442488	984137710	/nfs/dbraw/zinc/13/77/10/984137710.db2.gz	MGFJBCFLQUHRJA-KGLIPLIRSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588778223	984159899	/nfs/dbraw/zinc/15/98/99/984159899.db2.gz	YHLTVLYWCMFMGH-CYBMUJFWSA-N	-1	0	320.345	0.696	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)C1(S(C)(=O)=O)CCC1)C(=O)[O-]	ZINC001588790175	984204746	/nfs/dbraw/zinc/20/47/46/984204746.db2.gz	RWTHMNRGJSVKHB-SNVBAGLBSA-N	-1	0	303.380	0.879	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)Cn1ccc(C(=O)OC)n1)C(=O)[O-]	ZINC001588794443	984226994	/nfs/dbraw/zinc/22/69/94/984226994.db2.gz	UNFDQCFSRAOCQV-SNVBAGLBSA-N	-1	0	309.322	0.595	20	30		DCEDRM
C=CCCCNC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001588803772	984252232	/nfs/dbraw/zinc/25/22/32/984252232.db2.gz	JTIBDXHTLDMOHD-HNNXBMFYSA-N	-1	0	311.382	0.524	20	30		DCEDRM
C=CCCn1cc(CN2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])nn1	ZINC001588820132	984282256	/nfs/dbraw/zinc/28/22/56/984282256.db2.gz	RNICNFNUISOAMD-WCQYABFASA-N	-1	0	322.365	0.692	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	ZINC001588822273	984288333	/nfs/dbraw/zinc/28/83/33/984288333.db2.gz	DAFDMSNUJTVHHB-BDAKNGLRSA-N	-1	0	322.283	0.742	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC001588822383	984289521	/nfs/dbraw/zinc/28/95/21/984289521.db2.gz	JOKIKJNXBARLAW-GFCCVEGCSA-N	-1	0	304.302	0.510	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)CC(=O)c2cc(C(=O)[O-])[nH]c2C)C1=O	ZINC001588839089	984344635	/nfs/dbraw/zinc/34/46/35/984344635.db2.gz	OHKRIOUAQIRTJK-CYBMUJFWSA-N	-1	0	319.361	0.923	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)C(=O)[O-]	ZINC001588850773	984379996	/nfs/dbraw/zinc/37/99/96/984379996.db2.gz	DGOOSXWJCWMONA-IINYFYTJSA-N	-1	0	323.393	0.988	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)Sc1nncn1C)C(=O)[O-]	ZINC001588850867	984380718	/nfs/dbraw/zinc/38/07/18/984380718.db2.gz	IIDJGWZLOTUVTO-DTWKUNHWSA-N	-1	0	314.367	0.068	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCN1CC(F)(F)F)C(=O)[O-]	ZINC001588856457	984400449	/nfs/dbraw/zinc/40/04/49/984400449.db2.gz	ZPYWAVFXTGKABP-UWVGGRQHSA-N	-1	0	324.299	0.785	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C#N)c(OC)c1)C(=O)[O-]	ZINC001588859135	984403527	/nfs/dbraw/zinc/40/35/27/984403527.db2.gz	AJAGNDGBRGISMT-GFCCVEGCSA-N	-1	0	304.302	0.952	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001588860337	984412286	/nfs/dbraw/zinc/41/22/86/984412286.db2.gz	QQGIZYWDSZEFNH-MRVPVSSYSA-N	-1	0	312.282	0.197	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc([S@](C)=O)c1)C(=O)[O-]	ZINC001588861058	984414024	/nfs/dbraw/zinc/41/40/24/984414024.db2.gz	AESGCJQYGXYFRF-QKVFXAPYSA-N	-1	0	311.359	0.810	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(C(=O)NC)c1)C(=O)[O-]	ZINC001588862303	984418591	/nfs/dbraw/zinc/41/85/91/984418591.db2.gz	VMSDCRGYJJCRCZ-GFCCVEGCSA-N	-1	0	306.318	0.432	20	30		DCEDRM
C=CCOCCCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588867124	984430370	/nfs/dbraw/zinc/43/03/70/984430370.db2.gz	ZHQRXTRCVSTKSR-VXGBXAGGSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=CCn1c(CC)nnc1N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588897514	984511103	/nfs/dbraw/zinc/51/11/03/984511103.db2.gz	LDZXMNCIZJRXBO-UWVGGRQHSA-N	-1	0	308.338	0.337	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)OCC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC	ZINC001588916652	984562447	/nfs/dbraw/zinc/56/24/47/984562447.db2.gz	XRUBFZLOESMSFD-HNCHTBHHSA-N	-1	0	313.350	0.736	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588917033	984564573	/nfs/dbraw/zinc/56/45/73/984564573.db2.gz	MAJKTPMCMSRKQY-LOWVWBTDSA-N	-1	0	320.349	0.731	20	30		DCEDRM
C=C[C@H](CO)NC(=O)NCCc1ccc(C(=O)[O-])cc1OC	ZINC001588920117	984575834	/nfs/dbraw/zinc/57/58/34/984575834.db2.gz	SVNNILFFPOQZCQ-GFCCVEGCSA-N	-1	0	308.334	0.782	20	30		DCEDRM
CC#CCCCC(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1	ZINC001588925237	984585869	/nfs/dbraw/zinc/58/58/69/984585869.db2.gz	NPEWETBXSLIFAE-GFCCVEGCSA-N	-1	0	320.349	0.257	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCc2nnn(C)c2C1	ZINC001524740780	1015048083	/nfs/dbraw/zinc/04/80/83/1015048083.db2.gz	QDDCHMUYRVKHNZ-ZJUUUORDSA-N	-1	0	312.333	0.245	20	30		DCEDRM
C[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)CC[C@H]1C(=O)[O-]	ZINC001599916712	985068198	/nfs/dbraw/zinc/06/81/98/985068198.db2.gz	SYVZCEQHEPNCQC-CMPLNLGQSA-N	-1	0	302.334	0.934	20	30		DCEDRM
Cc1[nH]c(C(=O)Cn2cnc(C#N)cc2=O)c(C)c1C(=O)[O-]	ZINC001599949539	985584346	/nfs/dbraw/zinc/58/43/46/985584346.db2.gz	IFIYPDDQHPCSMY-UHFFFAOYSA-N	-1	0	300.274	0.641	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1C[C@H](CNc2ncc(C(=O)[O-])cn2)C1	ZINC001589329868	986167815	/nfs/dbraw/zinc/16/78/15/986167815.db2.gz	VCWGTMNWOUHWEJ-FXPVBKGRSA-N	-1	0	303.322	0.641	20	30		DCEDRM
C[C@H](C(=O)N(C)CCC#N)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001589340109	986246779	/nfs/dbraw/zinc/24/67/79/986246779.db2.gz	VQEGZNCHFUHARP-YGRLFVJLSA-N	-1	0	308.338	0.052	20	30		DCEDRM
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001589340106	986246997	/nfs/dbraw/zinc/24/69/97/986246997.db2.gz	VQEGZNCHFUHARP-HZMBPMFUSA-N	-1	0	308.338	0.052	20	30		DCEDRM
C[C@@H](C(=O)N(CC(=O)[O-])C1CCCCC1)n1cnc(C#N)n1	ZINC001589341697	986255700	/nfs/dbraw/zinc/25/57/00/986255700.db2.gz	MAXWYAQHPQNFFS-JTQLQIEISA-N	-1	0	305.338	0.957	20	30		DCEDRM
C[C@@H](C(=O)Oc1ccc(CC(=O)[O-])cc1)n1cnc(C#N)n1	ZINC001589554300	987300185	/nfs/dbraw/zinc/30/01/85/987300185.db2.gz	YWUKIVLUEMRRSZ-VIFPVBQESA-N	-1	0	300.274	0.943	20	30		DCEDRM
CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)O[C@H]2CNOC2)cc1	ZINC001589642779	987566655	/nfs/dbraw/zinc/56/66/55/987566655.db2.gz	CLOVUEOWJNBHGK-JTQLQIEISA-N	-1	0	315.347	0.658	20	30		DCEDRM
CCc1ccc(C#CC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001597494439	988035837	/nfs/dbraw/zinc/03/58/37/988035837.db2.gz	AYFCLVMJOURMKK-GJZGRUSLSA-N	-1	0	301.342	0.895	20	30		DCEDRM
CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1	ZINC001597646511	988666499	/nfs/dbraw/zinc/66/64/99/988666499.db2.gz	AHOZPEFCCFISEY-ZJUUUORDSA-N	-1	0	303.322	0.159	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N(CC(=O)[O-])C1CCOCC1	ZINC001590615573	990290782	/nfs/dbraw/zinc/29/07/82/990290782.db2.gz	YFVKTJHBBVJTIN-UHFFFAOYSA-N	-1	0	318.395	0.822	20	30		DCEDRM
CC(C)C#CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001590926841	990927287	/nfs/dbraw/zinc/92/72/87/990927287.db2.gz	HSWDTLZMSNYFEX-VXGBXAGGSA-N	-1	0	316.361	0.515	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001590927891	990937796	/nfs/dbraw/zinc/93/77/96/990937796.db2.gz	MNIDGJFRMSQFBR-LBPRGKRZSA-N	-1	0	316.361	0.919	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001590928062	990938423	/nfs/dbraw/zinc/93/84/23/990938423.db2.gz	PVOQMJXYGIYFGV-LPWJVIDDSA-N	-1	0	306.362	0.378	20	30		DCEDRM
CN(C)Cc1cnc(/C=C/C(=O)c2cn(CC(=O)[O-])nn2)s1	ZINC001598253956	991053713	/nfs/dbraw/zinc/05/37/13/991053713.db2.gz	QHAGBFDTQNDFJB-ONEGZZNKSA-N	-1	0	321.362	0.777	20	30		DCEDRM
CC(C)C[C@H](NC(=O)COC(=O)c1c[nH]c(C#N)c1)C(=O)[O-]	ZINC001591170004	991955057	/nfs/dbraw/zinc/95/50/57/991955057.db2.gz	MNCHSIBASNUDLS-NSHDSACASA-N	-1	0	307.306	0.659	20	30		DCEDRM
CC(C)C[C@@]1(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCNC1=O	ZINC001591191193	992000960	/nfs/dbraw/zinc/00/09/60/992000960.db2.gz	SILBAAXWQMCFFA-INIZCTEOSA-N	-1	0	321.377	0.756	20	30		DCEDRM
CN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001598499295	992409795	/nfs/dbraw/zinc/40/97/95/992409795.db2.gz	QAQJENIZETYYLE-TXEJJXNPSA-N	-1	0	323.374	0.522	20	30		DCEDRM
CC(C)N(CCCNC(=O)C#CC1CC1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001591591432	992808137	/nfs/dbraw/zinc/80/81/37/992808137.db2.gz	VPKYQHBCXXDRQA-UONOGXRCSA-N	-1	0	320.389	0.864	20	30		DCEDRM
CC(C)N1C[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1=O	ZINC001591609949	992853326	/nfs/dbraw/zinc/85/33/26/992853326.db2.gz	DYFBUDNNSNSXON-LLVKDONJSA-N	-1	0	322.365	0.396	20	30		DCEDRM
CN1C[C@@H](C(=O)[O-])N(Cc2ccc(Cl)cc2C#N)CC1=O	ZINC001598564359	993125625	/nfs/dbraw/zinc/12/56/25/993125625.db2.gz	SMVDLZVSJFDLNN-LBPRGKRZSA-N	-1	0	307.737	0.939	20	30		DCEDRM
C[C@H](NC(=O)c1cccs1)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001593178883	994059292	/nfs/dbraw/zinc/05/92/92/994059292.db2.gz	HTKPMYDBVWUFRQ-VIFPVBQESA-N	-1	0	309.347	0.693	20	30		DCEDRM
CNC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC001598637350	994263406	/nfs/dbraw/zinc/26/34/06/994263406.db2.gz	KFGHAFKSBNTGQV-QWHCGFSZSA-N	-1	0	303.318	0.131	20	30		DCEDRM
C[C@H](NC[C@H](O)CN(C)CCC#N)c1ncc(C(=O)[O-])s1	ZINC001593248076	994469044	/nfs/dbraw/zinc/46/90/44/994469044.db2.gz	SMZDUUNVAQUAFV-UWVGGRQHSA-N	-1	0	312.395	0.698	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC001598693330	995097946	/nfs/dbraw/zinc/09/79/46/995097946.db2.gz	MBRXJENLYKKKSQ-XQQFMLRXSA-N	-1	0	316.313	0.794	20	30		DCEDRM
C[C@H](OC(=O)CNc1ccc(C#N)cc1)C(=O)NCC(=O)[O-]	ZINC001593534056	995583239	/nfs/dbraw/zinc/58/32/39/995583239.db2.gz	NPDKHEHTPKLUME-VIFPVBQESA-N	-1	0	305.290	0.103	20	30		DCEDRM
CSCC[C@H](NC(=O)Nc1nn(C)cc1C#N)c1nnn[n-]1	ZINC001465771909	1016023501	/nfs/dbraw/zinc/02/35/01/1016023501.db2.gz	ZTKCOIWIRGYDDY-QMMMGPOBSA-N	-1	0	321.370	0.421	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC001598819573	996310107	/nfs/dbraw/zinc/31/01/07/996310107.db2.gz	CMWXFWCNSCSSNZ-VXGBXAGGSA-N	-1	0	302.286	0.504	20	30		DCEDRM
C[C@H](c1nc(N)nc(Cl)n1)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001593733979	996321685	/nfs/dbraw/zinc/32/16/85/996321685.db2.gz	OGUOPNNQESMKNJ-SSDOTTSWSA-N	-1	0	310.745	0.859	20	30		DCEDRM
CC(C)C[C@@H](C(=O)[O-])N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	ZINC001573491282	1163449701	/nfs/dbraw/zinc/44/97/01/1163449701.db2.gz	KCGYOBCHZQEHLZ-GVXVVHGQSA-N	-1	0	300.380	0.356	20	30		DCEDRM
CCC(=O)[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001466146369	1016056567	/nfs/dbraw/zinc/05/65/67/1016056567.db2.gz	IXRJSFZYRSMMSQ-NSHDSACASA-N	-1	0	318.333	0.181	20	30		DCEDRM
COC[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC001599174765	996821959	/nfs/dbraw/zinc/82/19/59/996821959.db2.gz	BTECCXLZPFPXSE-MRVPVSSYSA-N	-1	0	317.223	0.801	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cc(O)cc(C#N)c1	ZINC001598892780	997021392	/nfs/dbraw/zinc/02/13/92/997021392.db2.gz	NQXJWIHUCMAYDK-LLVKDONJSA-N	-1	0	306.274	0.400	20	30		DCEDRM
COc1cc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])ccc1C#N	ZINC001599415219	997495561	/nfs/dbraw/zinc/49/55/61/997495561.db2.gz	KVLCJVHIMFDEQU-VIFPVBQESA-N	-1	0	312.347	0.707	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Nc2ccns2)c(=O)[n-]c1=O	ZINC001467147136	1016137271	/nfs/dbraw/zinc/13/72/71/1016137271.db2.gz	FIIRUEAJHGGKFL-UHFFFAOYSA-N	-1	0	306.307	0.099	20	30		DCEDRM
CO[C@@]1(C)CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001467742756	1016193927	/nfs/dbraw/zinc/19/39/27/1016193927.db2.gz	NIWCATBUUXCUEY-HNNXBMFYSA-N	-1	0	320.349	0.238	20	30		DCEDRM
COCCC1N=NC(=S)N1N=Cc1cccn1CC(=O)[O-]	ZINC001599264903	998450784	/nfs/dbraw/zinc/45/07/84/998450784.db2.gz	KDDJUBCHWQAJEI-UHFFFAOYSA-N	-1	0	309.351	0.524	20	30		DCEDRM
COC[C@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C(=O)[O-]	ZINC001599166832	998554786	/nfs/dbraw/zinc/55/47/86/998554786.db2.gz	HHDBGGQZPHGPFZ-UONOGXRCSA-N	-1	0	317.345	0.743	20	30		DCEDRM
CO[C@@H](CS(=O)(=O)N(CC#N)CCC(=O)[O-])C1CCCC1	ZINC001599055999	999230070	/nfs/dbraw/zinc/23/00/70/999230070.db2.gz	ASQVIYHLZLLPNF-LBPRGKRZSA-N	-1	0	318.395	0.822	20	30		DCEDRM
C[C@H]1C[C@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CS1	ZINC001469011705	1016299055	/nfs/dbraw/zinc/29/90/55/1016299055.db2.gz	ZGJYEFZDTHHQRI-WPRPVWTQSA-N	-1	0	308.363	0.221	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(C)(C)[C@@]1(O)CCOC1	ZINC001469351211	1016332566	/nfs/dbraw/zinc/33/25/66/1016332566.db2.gz	MXPGJZDFVZHMAG-MRXNPFEDSA-N	-1	0	319.361	0.875	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F	ZINC001469733860	1016361814	/nfs/dbraw/zinc/36/18/14/1016361814.db2.gz	VVWRAMPBTUVLKV-SKDRFNHKSA-N	-1	0	323.324	0.422	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C2(c3ccccc3)CC2)c(=O)[n-]c1=O	ZINC001418527862	1000315732	/nfs/dbraw/zinc/31/57/32/1000315732.db2.gz	ACINNBOHHXGTOD-UHFFFAOYSA-N	-1	0	324.340	0.669	20	30		DCEDRM
C=C[C@H](CO)NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O	ZINC001470411194	1016432161	/nfs/dbraw/zinc/43/21/61/1016432161.db2.gz	XPXVTIUXDZYWRY-SNVBAGLBSA-N	-1	0	319.292	0.151	20	30		DCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1cccc2cc[nH]c21	ZINC001470984434	1016510673	/nfs/dbraw/zinc/51/06/73/1016510673.db2.gz	DJMOSGPJZFWPRQ-UHFFFAOYSA-N	-1	0	323.312	0.965	20	30		DCEDRM
CC1(C)C[C@]1(C)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001471618635	1016605947	/nfs/dbraw/zinc/60/59/47/1016605947.db2.gz	AVOSEOXDSRAEJS-OAHLLOKOSA-N	-1	0	304.350	0.763	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC2CCC=CCC2)c(=O)[n-]c1=O	ZINC001471921985	1016690800	/nfs/dbraw/zinc/69/08/00/1016690800.db2.gz	OFJMMWHNRJCQGZ-UHFFFAOYSA-N	-1	0	302.334	0.826	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC[C@@](C)(O)c2ccccc2)c(C#N)c1=O	ZINC001421121449	1003341744	/nfs/dbraw/zinc/34/17/44/1003341744.db2.gz	IZACUSCOLLLSQY-MRXNPFEDSA-N	-1	0	314.345	0.655	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H]2CCN(c3ccccn3)C2)c(C#N)c1=O	ZINC001472733810	1016852929	/nfs/dbraw/zinc/85/29/29/1016852929.db2.gz	DUQQWTZSHUFGKI-JTQLQIEISA-N	-1	0	312.333	0.031	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](CO)c2ccc(F)cc2)c(C#N)c1=O	ZINC001472790909	1016856434	/nfs/dbraw/zinc/85/64/34/1016856434.db2.gz	MZUZMCVPSAYKCA-NSHDSACASA-N	-1	0	304.281	0.230	20	30		DCEDRM
CCS(=O)(=O)CCN(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001473352972	1016923262	/nfs/dbraw/zinc/92/32/62/1016923262.db2.gz	QFZAIZOJCCOJPI-UHFFFAOYSA-N	-1	0	323.378	0.173	20	30		DCEDRM
COC[C@]1(C)CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1	ZINC001473688522	1016956822	/nfs/dbraw/zinc/95/68/22/1016956822.db2.gz	AYMJEZCRFZIDSQ-HNNXBMFYSA-N	-1	0	317.349	0.544	20	30		DCEDRM
CC1(C)CCC[C@H]1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417877738	1005912528	/nfs/dbraw/zinc/91/25/28/1005912528.db2.gz	MTWOXNISHDZNSO-NSHDSACASA-N	-1	0	304.350	0.763	20	30		DCEDRM
CCOc1ccccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001433600619	1008986468	/nfs/dbraw/zinc/98/64/68/1008986468.db2.gz	GQLRVIWQIQTQKT-UHFFFAOYSA-N	-1	0	314.301	0.858	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC(CC(N)=O)CC1	ZINC001433613751	1009003376	/nfs/dbraw/zinc/00/33/76/1009003376.db2.gz	BRWITLAWOBGUGT-UHFFFAOYSA-N	-1	0	302.334	0.695	20	30		DCEDRM
Cc1nc2n(n1)C[C@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)CC2	ZINC001433656699	1009034903	/nfs/dbraw/zinc/03/49/03/1009034903.db2.gz	PFXDWCDDHWIKMU-LLVKDONJSA-N	-1	0	312.333	0.612	20	30		DCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1cccs1	ZINC001433910946	1009339174	/nfs/dbraw/zinc/33/91/74/1009339174.db2.gz	KTSQKJORUMBUDF-QMMMGPOBSA-N	-1	0	304.331	0.759	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2C[C@H]2c2ccco2)c(=O)[n-]c1=O	ZINC001434085684	1009542777	/nfs/dbraw/zinc/54/27/77/1009542777.db2.gz	PBVXVYCBPJMCFU-GHMZBOCLSA-N	-1	0	314.301	0.476	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN1C[C@H](C)OC[C@@H]1C	ZINC001434171196	1009631917	/nfs/dbraw/zinc/63/19/17/1009631917.db2.gz	SVJBJYZDIQIMHP-RYUDHWBXSA-N	-1	0	318.377	0.806	20	30		DCEDRM
CCSC1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001434225275	1009675405	/nfs/dbraw/zinc/67/54/05/1009675405.db2.gz	UTBZSBWCPSJZID-UHFFFAOYSA-N	-1	0	322.390	0.613	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)OCC	ZINC001434280680	1009720739	/nfs/dbraw/zinc/72/07/39/1009720739.db2.gz	BIZOQLVHGXVGSN-LURJTMIESA-N	-1	0	316.701	0.087	20	30		DCEDRM
CCC(C)(C)[C@@H](O)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001434417259	1009929241	/nfs/dbraw/zinc/92/92/41/1009929241.db2.gz	FUWLSTAYGUICEY-NSHDSACASA-N	-1	0	320.349	0.001	20	30		DCEDRM
C=CC1(CC(=O)Nc2nn[nH]n2)CN(C(=O)OC(C)(C)C)C1	ZINC001444622905	1011099000	/nfs/dbraw/zinc/09/90/00/1011099000.db2.gz	MNWOQZNXXHIQJV-UHFFFAOYSA-N	-1	0	308.342	0.951	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H]2CN(C)C(=O)[C@@H](C)C#N)c1[O-]	ZINC001423721827	1011452364	/nfs/dbraw/zinc/45/23/64/1011452364.db2.gz	HUCMIZFMNJFTAO-GXSJLCMTSA-N	-1	0	319.365	0.646	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C	ZINC001557458066	1012278743	/nfs/dbraw/zinc/27/87/43/1012278743.db2.gz	SHOJHPKQJGJMOL-NSHDSACASA-N	-1	0	306.322	0.883	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCNC(=O)c1ccco1	ZINC001540725809	1012462568	/nfs/dbraw/zinc/46/25/68/1012462568.db2.gz	LMESYMJCOGGBHW-UHFFFAOYSA-N	-1	0	314.301	0.720	20	30		DCEDRM
C[C@@H](C[C@@H]1CCOC1)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001445987250	1012488587	/nfs/dbraw/zinc/48/85/87/1012488587.db2.gz	DCHWTMAECJCRLY-QWRGUYRKSA-N	-1	0	320.349	0.142	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O	ZINC001545128536	1012554313	/nfs/dbraw/zinc/55/43/13/1012554313.db2.gz	OQZYHISENRJGLP-JTQLQIEISA-N	-1	0	316.317	0.233	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@](C)(CNC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001459502316	1012754965	/nfs/dbraw/zinc/75/49/65/1012754965.db2.gz	JOWRTANCALGMOF-RFAUZJTJSA-N	-1	0	319.365	0.552	20	30		DCEDRM
CCn1nc(C([O-])=C(C#N)C(=O)NCCOC)cc1C1CC1	ZINC001515342337	1017119155	/nfs/dbraw/zinc/11/91/55/1017119155.db2.gz	CTURYLQRGDXVIT-LLVKDONJSA-N	-1	0	304.350	0.865	20	30		DCEDRM
C=CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@H]1CCCO1	ZINC001518016474	1017185770	/nfs/dbraw/zinc/18/57/70/1017185770.db2.gz	QQEJWOLGZDMEEB-SNVBAGLBSA-N	-1	0	304.354	0.303	20	30		DCEDRM
C#CC[C@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC=C)C1	ZINC001520453442	1017277592	/nfs/dbraw/zinc/27/75/92/1017277592.db2.gz	OMYIMAKKPLMZEH-LBPRGKRZSA-N	-1	0	312.377	0.928	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)C1	ZINC001495870824	1018791963	/nfs/dbraw/zinc/79/19/63/1018791963.db2.gz	LCVVBTIZMLCTOW-LLVKDONJSA-N	-1	0	321.381	0.184	20	30		DCEDRM
C#CCCCC(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001501781937	1019472214	/nfs/dbraw/zinc/47/22/14/1019472214.db2.gz	MDJZSDVQLSNHEX-SREVYHEPSA-N	-1	0	304.350	0.629	20	30		DCEDRM
C#CCCCC(=O)NC[C@H](NC(=O)c1[nH]nc(C)c1[O-])C1CC1	ZINC001493541699	1019503902	/nfs/dbraw/zinc/50/39/02/1019503902.db2.gz	VOOHPTZTXYOOIS-LBPRGKRZSA-N	-1	0	318.377	0.852	20	30		DCEDRM
C=CCCCC(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001501943707	1019575828	/nfs/dbraw/zinc/57/58/28/1019575828.db2.gz	XAOCROYPAGXHCC-WAYWQWQTSA-N	-1	0	321.337	0.041	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001502124111	1019744217	/nfs/dbraw/zinc/74/42/17/1019744217.db2.gz	KTXWCNMQCWLNCW-NEPJUHHUSA-N	-1	0	321.381	0.019	20	30		DCEDRM
CN(CCCNC(=O)CSCC#N)c1ncc(C(=O)[O-])cn1	ZINC001606121946	1170083609	/nfs/dbraw/zinc/08/36/09/1170083609.db2.gz	AEZFNBHPBZMIDH-UHFFFAOYSA-N	-1	0	323.378	0.374	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)CC)cc1)C(=O)[O-]	ZINC001609079100	1170802476	/nfs/dbraw/zinc/80/24/76/1170802476.db2.gz	XQUXNQHOWYCRKC-GFCCVEGCSA-N	-1	0	309.343	0.687	20	30		DCEDRM
CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000337257427	290623122	/nfs/dbraw/zinc/62/31/22/290623122.db2.gz	TUJUNBGBYCOAJM-UHFFFAOYSA-N	-1	0	319.346	0.750	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000566284080	291290977	/nfs/dbraw/zinc/29/09/77/291290977.db2.gz	SCRONKYBJDLOOS-VIFPVBQESA-N	-1	0	300.322	0.740	20	30		DCEDRM
C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(C#N)cc1	ZINC000420532890	240042695	/nfs/dbraw/zinc/04/26/95/240042695.db2.gz	QSDRWEVYWWJTOL-GWCFXTLKSA-N	-1	0	315.329	0.669	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)/C=C/C2CCOCC2)c1	ZINC000493828891	241164517	/nfs/dbraw/zinc/16/45/17/241164517.db2.gz	VVBUBTRMQBQGNW-OWOJBTEDSA-N	-1	0	321.358	0.741	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1c(C)nn(CC)c1C)C(=O)[O-]	ZINC000275075618	212107809	/nfs/dbraw/zinc/10/78/09/212107809.db2.gz	XPIZLSQRSAMHBB-NSHDSACASA-N	-1	0	313.379	0.665	20	30		DCEDRM
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC(C(=O)[O-])C1	ZINC000275066605	212102250	/nfs/dbraw/zinc/10/22/50/212102250.db2.gz	ACALIMQDRHVYKX-UHFFFAOYSA-N	-1	0	300.723	0.917	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000275021496	212077823	/nfs/dbraw/zinc/07/78/23/212077823.db2.gz	OUOVXAUVHKULEI-LLVKDONJSA-N	-1	0	312.303	0.740	20	30		DCEDRM
COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1	ZINC000274968698	212049154	/nfs/dbraw/zinc/04/91/54/212049154.db2.gz	CCLMRXLARXBLGY-JTQLQIEISA-N	-1	0	312.347	0.668	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-]	ZINC000274924154	212035750	/nfs/dbraw/zinc/03/57/50/212035750.db2.gz	BHOQZXLYSOYSEQ-SECBINFHSA-N	-1	0	302.739	0.880	20	30		DCEDRM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1n[nH]c(C)c1C#N	ZINC000273451129	210785095	/nfs/dbraw/zinc/78/50/95/210785095.db2.gz	LFUHWZJZJYSXBV-UHFFFAOYSA-N	-1	0	324.322	0.290	20	30		DCEDRM
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)[N-]S(C)(=O)=O)C2=O	ZINC000048479512	395815641	/nfs/dbraw/zinc/81/56/41/395815641.db2.gz	RMXIDGLXSAIXMF-QPUJVOFHSA-N	-1	0	317.367	0.403	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCc2nnc[nH]2)c(F)c1	ZINC000151887850	395995618	/nfs/dbraw/zinc/99/56/18/395995618.db2.gz	IMNUQUALRDLBSO-UHFFFAOYSA-N	-1	0	313.289	0.476	20	30		DCEDRM
CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000288145889	396444729	/nfs/dbraw/zinc/44/47/29/396444729.db2.gz	BRRFXJZCIIATEM-UHFFFAOYSA-N	-1	0	323.334	0.237	20	30		DCEDRM
CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000287709987	396418115	/nfs/dbraw/zinc/41/81/15/396418115.db2.gz	XZTFGJGILJJTDB-RYUDHWBXSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C=CCCSCCNS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000594720034	396501109	/nfs/dbraw/zinc/50/11/09/396501109.db2.gz	NBPNLJRGLUIZQU-UHFFFAOYSA-N	-1	0	305.381	0.696	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000290942654	396475883	/nfs/dbraw/zinc/47/58/83/396475883.db2.gz	LQRKQRXDLCZUTN-MRVPVSSYSA-N	-1	0	316.277	0.922	20	30		DCEDRM
CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@](C)(C#N)C1)C(=O)[O-]	ZINC000594542642	396485747	/nfs/dbraw/zinc/48/57/47/396485747.db2.gz	FMPJZCWNHDMIKC-XHDPSFHLSA-N	-1	0	309.366	0.612	20	30		DCEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cnn(C(C)(C)C(=O)OC)c1	ZINC000596023340	396709378	/nfs/dbraw/zinc/70/93/78/396709378.db2.gz	WZBOXCVFEYVVCC-JTQLQIEISA-N	-1	0	314.367	0.835	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cc1F	ZINC000589965480	396732115	/nfs/dbraw/zinc/73/21/15/396732115.db2.gz	CWJOEIPRZAVQKF-UHFFFAOYSA-N	-1	0	309.282	0.320	20	30		DCEDRM
COC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccnc1C#N	ZINC000590761154	396835776	/nfs/dbraw/zinc/83/57/76/396835776.db2.gz	MEAYRWXIAVOKIN-ZJUUUORDSA-N	-1	0	309.347	0.573	20	30		DCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)c(C)c1	ZINC000618072115	396897635	/nfs/dbraw/zinc/89/76/35/396897635.db2.gz	MJWCAXNFGNWHNK-GFCCVEGCSA-N	-1	0	312.347	0.587	20	30		DCEDRM
CO[C@H]1CN(S(=O)(=O)c2ccccc2C#N)[C@](C)(C(=O)[O-])C1	ZINC000600661759	396908669	/nfs/dbraw/zinc/90/86/69/396908669.db2.gz	ZYVNSCHWXLVLAI-RISCZKNCSA-N	-1	0	324.358	0.811	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)C(=O)[O-]	ZINC000591459144	396924036	/nfs/dbraw/zinc/92/40/36/396924036.db2.gz	NOCVVGUREGPRMK-MNOVXSKESA-N	-1	0	317.345	0.915	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCn1cc(Cl)cn1)C(=O)[O-]	ZINC000630186539	396957027	/nfs/dbraw/zinc/95/70/27/396957027.db2.gz	USUQJDQKNFZCFH-SNVBAGLBSA-N	-1	0	301.730	0.699	20	30		DCEDRM
Cn1cc(C(C)(C)NS(=O)(=O)c2cccnc2C#N)cn1	ZINC000572072345	397018781	/nfs/dbraw/zinc/01/87/81/397018781.db2.gz	BBLADXYGNKDGIX-UHFFFAOYSA-N	-1	0	305.363	0.900	20	30		DCEDRM
C[C@@H]1CCC[C@@](C#N)(NS(=O)(=O)CCCS(N)(=O)=O)C1	ZINC000349446407	397073147	/nfs/dbraw/zinc/07/31/47/397073147.db2.gz	HSQJBEDSCWODPC-GHMZBOCLSA-N	-1	0	323.440	0.057	20	30		DCEDRM
C=CCCOCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000626273657	397125433	/nfs/dbraw/zinc/12/54/33/397125433.db2.gz	BWCGSNFCGAIMMY-UHFFFAOYSA-N	-1	0	313.379	0.776	20	30		DCEDRM
COc1ccc2ncc(C#N)c(NC[C@](C)(O)C(=O)[O-])c2c1	ZINC000592421963	397172591	/nfs/dbraw/zinc/17/25/91/397172591.db2.gz	YCPNJQYRUAMZFI-HNNXBMFYSA-N	-1	0	301.302	0.784	20	30		DCEDRM
N#Cc1ccc(CCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1	ZINC000377603091	397112211	/nfs/dbraw/zinc/11/22/11/397112211.db2.gz	BQRFWFBWNOYDCB-ZDUSSCGKSA-N	-1	0	312.333	0.604	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000592455482	397182640	/nfs/dbraw/zinc/18/26/40/397182640.db2.gz	FQFAYMXDDKIHLR-UHFFFAOYSA-N	-1	0	318.395	0.727	20	30		DCEDRM
C[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602051636	397291625	/nfs/dbraw/zinc/29/16/25/397291625.db2.gz	FQPORSWSWJYEFF-ZYHUDNBSSA-N	-1	0	304.350	0.858	20	30		DCEDRM
C[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC000602095033	397298383	/nfs/dbraw/zinc/29/83/83/397298383.db2.gz	WQARZGBMLIWIDE-SECBINFHSA-N	-1	0	308.363	0.175	20	30		DCEDRM
Cc1ccc(CN(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC000602097996	397299437	/nfs/dbraw/zinc/29/94/37/397299437.db2.gz	UZCTWULIWIALNZ-UHFFFAOYSA-N	-1	0	318.358	0.849	20	30		DCEDRM
CCC1(CC)CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602116324	397307023	/nfs/dbraw/zinc/30/70/23/397307023.db2.gz	DSXSMKHOQUBFER-UHFFFAOYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CC1CCC1)C(=O)[O-]	ZINC000593272348	397346661	/nfs/dbraw/zinc/34/66/61/397346661.db2.gz	IDRVTIZEBFIACT-MWLCHTKSSA-N	-1	0	303.384	0.556	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)CC1	ZINC000577650513	397349903	/nfs/dbraw/zinc/34/99/03/397349903.db2.gz	WCQOQHHVDICKJQ-MNOVXSKESA-N	-1	0	316.379	0.168	20	30		DCEDRM
C[C@@H]1CCCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602144488	397320175	/nfs/dbraw/zinc/32/01/75/397320175.db2.gz	QYPQOHNIHKRECS-LLVKDONJSA-N	-1	0	304.350	0.859	20	30		DCEDRM
N#CCCCNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC000593698517	397428878	/nfs/dbraw/zinc/42/88/78/397428878.db2.gz	PNJRUZLXYOMEMU-NSHDSACASA-N	-1	0	322.365	0.397	20	30		DCEDRM
CCn1ccnc1/C=C/C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000492819952	397524202	/nfs/dbraw/zinc/52/42/02/397524202.db2.gz	ACWSHUCYXNRMDP-ONEGZZNKSA-N	-1	0	308.363	0.666	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1	ZINC000609485172	397776789	/nfs/dbraw/zinc/77/67/89/397776789.db2.gz	KTUVTHPYRKHHBC-CQSZACIVSA-N	-1	0	314.393	0.688	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000610494430	397826101	/nfs/dbraw/zinc/82/61/01/397826101.db2.gz	GTFBYVSTGXKNJY-LBPRGKRZSA-N	-1	0	312.333	0.667	20	30		DCEDRM
CC1CC(C#N)(C(=O)N2CCC(C(=O)[O-])([S@@](C)=O)CC2)C1	ZINC001647433848	1172890826	/nfs/dbraw/zinc/89/08/26/1172890826.db2.gz	AHOJEGLWWHESMY-BNJPQSJMSA-N	-1	0	312.391	0.751	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c1	ZINC000315094518	159001248	/nfs/dbraw/zinc/00/12/48/159001248.db2.gz	FYSANJPRGOUVJZ-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@]23CCOC3)c1	ZINC000408476973	160117262	/nfs/dbraw/zinc/11/72/62/160117262.db2.gz	NCGULMSNICIIRO-JSGCOSHPSA-N	-1	0	306.343	0.790	20	30		DCEDRM
C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)n1cnc(C#N)n1	ZINC000342384202	415159245	/nfs/dbraw/zinc/15/92/45/415159245.db2.gz	IXHWLRAIKDTKDX-MRVPVSSYSA-N	-1	0	309.293	0.530	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000037838201	415193135	/nfs/dbraw/zinc/19/31/35/415193135.db2.gz	SSUCOAARSBBGDM-MNOVXSKESA-N	-1	0	303.384	0.509	20	30		DCEDRM
CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000342593577	415219662	/nfs/dbraw/zinc/21/96/62/415219662.db2.gz	ZOGRLSVVTBQBKM-UHFFFAOYSA-N	-1	0	309.307	0.343	20	30		DCEDRM
C=C(C)CN(CC)C(=O)CS(=O)(=O)c1nc(COC)n[n-]1	ZINC000353906388	415689132	/nfs/dbraw/zinc/68/91/32/415689132.db2.gz	SZYFOQNLSBCTNJ-UHFFFAOYSA-N	-1	0	316.383	0.149	20	30		DCEDRM
N#CCC1(O)CN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1	ZINC000354873997	415826542	/nfs/dbraw/zinc/82/65/42/415826542.db2.gz	GBZILVLDWBCOAK-UHFFFAOYSA-N	-1	0	316.292	0.818	20	30		DCEDRM
C#CCO[N-]C(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C	ZINC000291020824	415827952	/nfs/dbraw/zinc/82/79/52/415827952.db2.gz	CNJOHJZJYZUWSD-UHFFFAOYSA-N	-1	0	324.402	0.880	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000295277241	415888594	/nfs/dbraw/zinc/88/85/94/415888594.db2.gz	IGKWJNPNQUOERM-RYUDHWBXSA-N	-1	0	321.381	0.550	20	30		DCEDRM
COCCn1[n-]c(C)c(C(=O)Nc2cccc(C#N)c2)c1=O	ZINC000182238282	416216280	/nfs/dbraw/zinc/21/62/80/416216280.db2.gz	YDRVPFMAYWQPMP-CYBMUJFWSA-N	-1	0	300.318	0.977	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)[N-]CC(F)(F)CO)c1	ZINC000341626054	416217680	/nfs/dbraw/zinc/21/76/80/416217680.db2.gz	AMADOOZCHQTWOQ-UHFFFAOYSA-N	-1	0	308.281	0.744	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1	ZINC000358510455	416245622	/nfs/dbraw/zinc/24/56/22/416245622.db2.gz	GAPUMICMPSKQAF-VIFPVBQESA-N	-1	0	308.323	0.240	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2nccc(C#N)n2)C1=O	ZINC000416442643	416369868	/nfs/dbraw/zinc/36/98/68/416369868.db2.gz	FURJRILVVQAJKJ-GHMZBOCLSA-N	-1	0	303.322	0.470	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2nccc(C#N)n2)C1=O	ZINC000416442645	416369965	/nfs/dbraw/zinc/36/99/65/416369965.db2.gz	FURJRILVVQAJKJ-QWRGUYRKSA-N	-1	0	303.322	0.470	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)o1	ZINC000361132127	416422842	/nfs/dbraw/zinc/42/28/42/416422842.db2.gz	NSCOHZPNOBSGCI-UHFFFAOYSA-N	-1	0	316.302	0.928	20	30		DCEDRM
CC(C)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000422659387	416445703	/nfs/dbraw/zinc/44/57/03/416445703.db2.gz	ZUROGHDDGFUJPS-NSHDSACASA-N	-1	0	307.281	0.861	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000422665237	416445987	/nfs/dbraw/zinc/44/59/87/416445987.db2.gz	VVFHRTVEOLFEOH-LBPRGKRZSA-N	-1	0	301.302	0.881	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000422662131	416446844	/nfs/dbraw/zinc/44/68/44/416446844.db2.gz	MXQYVVCGDWMOOD-GFCCVEGCSA-N	-1	0	301.302	0.881	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1F	ZINC000422678504	416447522	/nfs/dbraw/zinc/44/75/22/416447522.db2.gz	OCFUHCWBCVMHGY-SNVBAGLBSA-N	-1	0	319.292	0.959	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000491220215	416591332	/nfs/dbraw/zinc/59/13/32/416591332.db2.gz	LKEMFJWZGLIUCK-UHFFFAOYSA-N	-1	0	314.269	0.810	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cc1C(N)=O	ZINC000437395147	416583947	/nfs/dbraw/zinc/58/39/47/416583947.db2.gz	JVMPFYBNXCHCLK-UHFFFAOYSA-N	-1	0	316.342	1.161	20	30		DCEDRM
Cn1cccc1S(=O)(=O)[N-]c1nc2n(c1C#N)CCS2	ZINC000424211141	416626905	/nfs/dbraw/zinc/62/69/05/416626905.db2.gz	IGXJMVFJLLIIEM-UHFFFAOYSA-N	-1	0	309.376	1.000	20	30		DCEDRM
C=CCCCS(=O)(=O)[N-]c1ncn(CC(=O)OCC)n1	ZINC000424223662	416629979	/nfs/dbraw/zinc/62/99/79/416629979.db2.gz	PYYHZPCNYKVMPU-UHFFFAOYSA-N	-1	0	302.356	0.549	20	30		DCEDRM
C=CCCCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424456737	416647723	/nfs/dbraw/zinc/64/77/23/416647723.db2.gz	XDBPEDVAOSLDGP-JTQLQIEISA-N	-1	0	304.368	0.236	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCOC)CC(=O)[O-]	ZINC000562648140	416870734	/nfs/dbraw/zinc/87/07/34/416870734.db2.gz	OGBLGIJFOVYRTJ-AAEUAGOBSA-N	-1	0	300.355	0.710	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(C)n(C)n1	ZINC000427626086	416833522	/nfs/dbraw/zinc/83/35/22/416833522.db2.gz	LIOAZALOUCBRQQ-UHFFFAOYSA-N	-1	0	307.335	0.805	20	30		DCEDRM
CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000565054794	416916953	/nfs/dbraw/zinc/91/69/53/416916953.db2.gz	DCRCGQKTFJTXHQ-OUAUKWLOSA-N	-1	0	303.384	0.650	20	30		DCEDRM
C[C@H]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)C[C@@H]1C(=O)[O-]	ZINC000566974259	417055844	/nfs/dbraw/zinc/05/58/44/417055844.db2.gz	WYIWSDPANDAYPC-JQWIXIFHSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1	ZINC000408269029	417152624	/nfs/dbraw/zinc/15/26/24/417152624.db2.gz	HIHXJYPKJGRSIK-NSHDSACASA-N	-1	0	314.407	0.800	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)CCCC(F)(F)F)C(=O)[O-]	ZINC000568625890	417158581	/nfs/dbraw/zinc/15/85/81/417158581.db2.gz	FLYIYEQLLDJCMQ-MRVPVSSYSA-N	-1	0	319.301	0.904	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(CC(=O)[O-])CC1	ZINC000572885610	417462266	/nfs/dbraw/zinc/46/22/66/417462266.db2.gz	HGULJQPBGKSNNU-NSHDSACASA-N	-1	0	317.411	0.899	20	30		DCEDRM
N#CC1(CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)(F)F)CC1	ZINC000573076909	417466569	/nfs/dbraw/zinc/46/65/69/417466569.db2.gz	FHUAFLTZGFIKMG-SSDOTTSWSA-N	-1	0	314.285	0.863	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000575923532	417562746	/nfs/dbraw/zinc/56/27/46/417562746.db2.gz	VIIFBJZTHRIQPS-GHMZBOCLSA-N	-1	0	303.384	0.509	20	30		DCEDRM
COC(=O)c1cc(OC)c(S(=O)(=O)NC[C@@H](C)C#N)s1	ZINC000531141928	417605939	/nfs/dbraw/zinc/60/59/39/417605939.db2.gz	XLCQUBOIVQWOPV-ZETCQYMHSA-N	-1	0	318.376	0.981	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000646166202	417793967	/nfs/dbraw/zinc/79/39/67/417793967.db2.gz	BRECGRKWXIPNDO-LLVKDONJSA-N	-1	0	300.355	0.494	20	30		DCEDRM
C=CCN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@@H](C)COC	ZINC000636161562	417887521	/nfs/dbraw/zinc/88/75/21/417887521.db2.gz	WYNFUURGCHKYMW-NSHDSACASA-N	-1	0	316.365	0.738	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000646953099	417959618	/nfs/dbraw/zinc/95/96/18/417959618.db2.gz	UMKKDMSBVGWFSS-VIFPVBQESA-N	-1	0	324.406	0.087	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(F)cc1OC)C(=O)[O-]	ZINC000663286660	418006339	/nfs/dbraw/zinc/00/63/39/418006339.db2.gz	SHBPMGCOOHKXQI-JTQLQIEISA-N	-1	0	315.322	0.979	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000659065751	418053309	/nfs/dbraw/zinc/05/33/09/418053309.db2.gz	UVQKFRGFJSHASV-ONGXEEELSA-N	-1	0	319.317	0.426	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000659663526	418139733	/nfs/dbraw/zinc/13/97/33/418139733.db2.gz	GQIUEZXOVXLPEK-UHFFFAOYSA-N	-1	0	312.366	0.409	20	30		DCEDRM
C=CCn1cc(CNC(=O)NC[C@H](C(=O)[O-])C2CCC2)nn1	ZINC000665313533	418195075	/nfs/dbraw/zinc/19/50/75/418195075.db2.gz	MZMSQYAZRUOBPF-LBPRGKRZSA-N	-1	0	307.354	0.764	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000655989253	418312242	/nfs/dbraw/zinc/31/22/42/418312242.db2.gz	YMJOCTTXEVXQSU-NSHDSACASA-N	-1	0	320.345	0.705	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCc1nc(C(N)=O)cs1)C(=O)[O-]	ZINC000656598001	418365841	/nfs/dbraw/zinc/36/58/41/418365841.db2.gz	QZWOKHMRTXXLKL-SSDOTTSWSA-N	-1	0	312.351	0.461	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000188098075	261125937	/nfs/dbraw/zinc/12/59/37/261125937.db2.gz	NSHNABLKZNZRJO-UHFFFAOYSA-N	-1	0	302.266	0.544	20	30		DCEDRM
CNC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000194197827	261144767	/nfs/dbraw/zinc/14/47/67/261144767.db2.gz	BTSUUIMDYIAALM-UHFFFAOYSA-N	-1	0	319.346	0.302	20	30		DCEDRM
Cn1ccc(/C=C\C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)c1	ZINC000493747137	272207267	/nfs/dbraw/zinc/20/72/67/272207267.db2.gz	BOOSHZDLKIGSAN-IHWYPQMZSA-N	-1	0	316.342	0.810	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C#N	ZINC000551310634	288227191	/nfs/dbraw/zinc/22/71/91/288227191.db2.gz	DKTLVFDGQJBSKG-LLVKDONJSA-N	-1	0	310.331	0.341	20	30		DCEDRM
Cc1cc(C(=O)N(C)C2(C#N)CCC2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000174252698	301079854	/nfs/dbraw/zinc/07/98/54/301079854.db2.gz	JBOMRSPFRITSSE-UHFFFAOYSA-N	-1	0	313.317	0.850	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1	ZINC000263502285	303214180	/nfs/dbraw/zinc/21/41/80/303214180.db2.gz	UDDJSXWIDVGWCI-SMDDNHRTSA-N	-1	0	321.358	0.829	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccnc(-n3cccn3)c2)[n-]c1C#N	ZINC000154961244	303217108	/nfs/dbraw/zinc/21/71/08/303217108.db2.gz	BKKPCOYPNBMHEH-UHFFFAOYSA-N	-1	0	304.273	0.986	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000092463925	332192083	/nfs/dbraw/zinc/19/20/83/332192083.db2.gz	QEDAXIHMHUXQJQ-UHFFFAOYSA-N	-1	0	300.292	0.856	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@H](C)Cn1cccn1)C(=O)[O-]	ZINC000566774934	332559710	/nfs/dbraw/zinc/55/97/10/332559710.db2.gz	HSTNVVBJYMBHTE-VXGBXAGGSA-N	-1	0	310.354	0.474	20	30		DCEDRM
C=CC1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC000569840473	332684670	/nfs/dbraw/zinc/68/46/70/332684670.db2.gz	FINZABUQXYAYJX-UHFFFAOYSA-N	-1	0	302.396	0.926	20	30		DCEDRM
CSc1nc(=NC(=O)N2CCCS(=O)(=O)CC2)s[n-]1	ZINC000330009439	336105418	/nfs/dbraw/zinc/10/54/18/336105418.db2.gz	HHVVTUSOFAVATP-UHFFFAOYSA-N	-1	0	322.437	0.926	20	30		DCEDRM
C[C@@H](CN1CCOCC1)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000330145822	336117876	/nfs/dbraw/zinc/11/78/76/336117876.db2.gz	HNBYCRMLBRXIIA-QMMMGPOBSA-N	-1	0	301.372	0.280	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000582731265	337126695	/nfs/dbraw/zinc/12/66/95/337126695.db2.gz	YHXCQKXQGOSPTF-SNVBAGLBSA-N	-1	0	321.399	0.182	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000420591816	337508238	/nfs/dbraw/zinc/50/82/38/337508238.db2.gz	XTQCZUFEPUPOMH-XQQFMLRXSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000572124873	337591724	/nfs/dbraw/zinc/59/17/24/337591724.db2.gz	GXBWRJPXSRVOGW-OLZOCXBDSA-N	-1	0	311.359	0.936	20	30		DCEDRM
C#CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C1CC1	ZINC000491514581	339865011	/nfs/dbraw/zinc/86/50/11/339865011.db2.gz	JAHFXTLCZWIGAN-UHFFFAOYSA-N	-1	0	322.386	0.880	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(C(=O)NC)cc1	ZINC000493316611	339922935	/nfs/dbraw/zinc/92/29/35/339922935.db2.gz	HUNLINLMNQHTNW-YFHOEESVSA-N	-1	0	320.370	0.529	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C	ZINC000496405084	340004769	/nfs/dbraw/zinc/00/47/69/340004769.db2.gz	XPLVGDCRHPBIAR-ZJUUUORDSA-N	-1	0	316.379	0.369	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000547915907	341239039	/nfs/dbraw/zinc/23/90/39/341239039.db2.gz	OIJSTKUJIGKHLE-UHFFFAOYSA-N	-1	0	311.363	0.607	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)(C)C	ZINC000547905890	341239139	/nfs/dbraw/zinc/23/91/39/341239139.db2.gz	GMELCPYJICCAIQ-SNVBAGLBSA-N	-1	0	305.400	0.946	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000548555432	341265975	/nfs/dbraw/zinc/26/59/75/341265975.db2.gz	QOLQNWQYQGXPEJ-JTQLQIEISA-N	-1	0	304.368	0.479	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N(CCC(=O)[O-])C1CCCC1	ZINC000548558727	341266086	/nfs/dbraw/zinc/26/60/86/341266086.db2.gz	FAKGAJZKFJCSCK-UHFFFAOYSA-N	-1	0	303.384	0.796	20	30		DCEDRM
N#CCc1ccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC000568089347	341650762	/nfs/dbraw/zinc/65/07/62/341650762.db2.gz	SFVPRESWEJVGDU-CYBMUJFWSA-N	-1	0	315.329	0.302	20	30		DCEDRM
C[C@H](C#N)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000573812518	341740084	/nfs/dbraw/zinc/74/00/84/341740084.db2.gz	HQPGAJJHDZODQN-SSDOTTSWSA-N	-1	0	313.291	0.731	20	30		DCEDRM
CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000576223677	341834491	/nfs/dbraw/zinc/83/44/91/341834491.db2.gz	HBHIIVKWIROOOD-GHMZBOCLSA-N	-1	0	318.301	0.529	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)o1	ZINC000577406177	341908396	/nfs/dbraw/zinc/90/83/96/341908396.db2.gz	RSVWCPNIQBOWPY-GFCCVEGCSA-N	-1	0	322.298	0.961	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)CCCC1	ZINC001601058417	1159779420	/nfs/dbraw/zinc/77/94/20/1159779420.db2.gz	SJOLPUCPAOIMJH-GFCCVEGCSA-N	-1	0	304.343	0.899	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])CC1	ZINC001601058142	1159779691	/nfs/dbraw/zinc/77/96/91/1159779691.db2.gz	NFZGHTSZTLNLDN-VHSXEESVSA-N	-1	0	302.352	0.232	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CSCN1C(=O)CC)C(=O)[O-]	ZINC000263040639	526788920	/nfs/dbraw/zinc/78/89/20/526788920.db2.gz	PEJHLSSMCNXTLV-ZJUUUORDSA-N	-1	0	316.379	0.070	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000188785824	527385447	/nfs/dbraw/zinc/38/54/47/527385447.db2.gz	CSWFBIDYFIMVBQ-JTQLQIEISA-N	-1	0	303.322	0.875	20	30		DCEDRM
C=CCC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)[O-]	ZINC000262793511	527438293	/nfs/dbraw/zinc/43/82/93/527438293.db2.gz	BZVLYXJTMHPNPZ-SNVBAGLBSA-N	-1	0	309.278	0.292	20	30		DCEDRM
C=CCN(C(=O)CCCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000263285527	527533107	/nfs/dbraw/zinc/53/31/07/527533107.db2.gz	KORPZPYZVJOXHZ-LLVKDONJSA-N	-1	0	303.380	0.833	20	30		DCEDRM
CCCC[C@@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)[O-]	ZINC000263537430	528856652	/nfs/dbraw/zinc/85/66/52/528856652.db2.gz	AFOLVINRVSFORU-WDEREUQCSA-N	-1	0	305.400	0.946	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CCN(CC#N)CC2)c1	ZINC000424676216	536920997	/nfs/dbraw/zinc/92/09/97/536920997.db2.gz	GZLCPKFZWJUDBX-JOCHJYFZSA-N	-1	0	321.402	0.471	20	30		DCEDRM
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCC(=O)[O-])c1	ZINC000740319163	597043527	/nfs/dbraw/zinc/04/35/27/597043527.db2.gz	LVXTWHWFNHGZIJ-UHFFFAOYSA-N	-1	0	313.216	0.299	20	30		DCEDRM
C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)[O-])c1	ZINC000737532332	597495342	/nfs/dbraw/zinc/49/53/42/597495342.db2.gz	FYKAVPRUQKQGIT-SECBINFHSA-N	-1	0	313.331	0.781	20	30		DCEDRM
C[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000737706358	597498857	/nfs/dbraw/zinc/49/88/57/597498857.db2.gz	NSBIAARDOFQFNI-VIFPVBQESA-N	-1	0	311.315	0.489	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000818576605	597523715	/nfs/dbraw/zinc/52/37/15/597523715.db2.gz	QIKBTJXDCFCEFQ-JTQLQIEISA-N	-1	0	317.301	0.438	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(Cn2ccnn2)CC1	ZINC000819811585	597603434	/nfs/dbraw/zinc/60/34/34/597603434.db2.gz	RLJMKQWXXPTSRW-CQSZACIVSA-N	-1	0	305.338	0.521	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC(=O)N(Cc2ccccc2)C1	ZINC000819811971	597604874	/nfs/dbraw/zinc/60/48/74/597604874.db2.gz	YCYLGLMPOADWQR-INIZCTEOSA-N	-1	0	315.329	0.819	20	30		DCEDRM
Cc1nn(C)c(C)c1NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821209509	597614833	/nfs/dbraw/zinc/61/48/33/597614833.db2.gz	YAHNTKZPBYDCNQ-AWEZNQCLSA-N	-1	0	322.321	0.523	20	30		DCEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NCC(F)(F)F	ZINC000820160884	597617226	/nfs/dbraw/zinc/61/72/26/597617226.db2.gz	KBWDYFIFOYBZOM-LDWIPMOCSA-N	-1	0	310.228	0.601	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820161866	597617323	/nfs/dbraw/zinc/61/73/23/597617323.db2.gz	UAXSMUFOCMUUFG-COLVAYQJSA-N	-1	0	323.349	0.977	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(CC(F)(F)F)CC1	ZINC000819822438	597629495	/nfs/dbraw/zinc/62/94/95/597629495.db2.gz	NVFPTCSSTADTJI-NSHDSACASA-N	-1	0	307.272	0.697	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCS(=O)(=O)C(C)(C)C1	ZINC000819823722	597655222	/nfs/dbraw/zinc/65/52/22/597655222.db2.gz	WHQCBOZPHUGQHE-GFCCVEGCSA-N	-1	0	302.352	0.027	20	30		DCEDRM
O=C([O-])CNC(=O)CON=CC(=O)Nc1ccc(F)cc1F	ZINC000821532981	597761271	/nfs/dbraw/zinc/76/12/71/597761271.db2.gz	VZBABMUQICMHQM-UHFFFAOYSA-N	-1	0	315.232	0.107	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCCCS1(=O)=O	ZINC000819833259	597765094	/nfs/dbraw/zinc/76/50/94/597765094.db2.gz	FQSVCTZWDXVQDO-JOYOIKCWSA-N	-1	0	302.352	0.074	20	30		DCEDRM
CC[C@@H](NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)C(=O)[O-]	ZINC000820405761	598094819	/nfs/dbraw/zinc/09/48/19/598094819.db2.gz	VNYFUFLSJXCTOB-SECBINFHSA-N	-1	0	307.310	0.023	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)[O-])cc1	ZINC000819720212	598159779	/nfs/dbraw/zinc/15/97/79/598159779.db2.gz	NGMUFHRNFLFSHG-SECBINFHSA-N	-1	0	320.301	0.942	20	30		DCEDRM
CCCC(=O)NC1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820297249	598224087	/nfs/dbraw/zinc/22/40/87/598224087.db2.gz	QGEDVNSNXUQPFL-HNNXBMFYSA-N	-1	0	309.366	0.898	20	30		DCEDRM
Cn1cc(N2CCC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C2)cn1	ZINC000821298912	598228834	/nfs/dbraw/zinc/22/88/34/598228834.db2.gz	YSWIROCISFOVOE-XHDPSFHLSA-N	-1	0	319.365	0.510	20	30		DCEDRM
C=CCn1c(C)nn(CN(CC(=O)[O-])CC(=O)OC)c1=S	ZINC000736118623	599755557	/nfs/dbraw/zinc/75/55/57/599755557.db2.gz	XJOGYCUCCGJFMQ-UHFFFAOYSA-N	-1	0	314.367	0.426	20	30		DCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC000736371233	599845141	/nfs/dbraw/zinc/84/51/41/599845141.db2.gz	RRUDNJRPZRKWNL-LLVKDONJSA-N	-1	0	305.338	0.774	20	30		DCEDRM
N#CCCn1ncc2c1ncnc2NCCSCC(=O)[O-]	ZINC000739075823	599893964	/nfs/dbraw/zinc/89/39/64/599893964.db2.gz	NYFUYMHDWRTKCD-UHFFFAOYSA-N	-1	0	306.351	0.970	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCO[C@H](C#N)C2)c1C(=O)[O-]	ZINC000738744105	599981706	/nfs/dbraw/zinc/98/17/06/599981706.db2.gz	JBCBGAZTQVWPQA-SNVBAGLBSA-N	-1	0	310.331	0.606	20	30		DCEDRM
N#Cc1ccc(N2CCC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nc1	ZINC000739122229	600092194	/nfs/dbraw/zinc/09/21/94/600092194.db2.gz	BTZPGTCFMDDMKF-STQMWFEESA-N	-1	0	314.345	0.759	20	30		DCEDRM
CN(C(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-])C1(C#N)CCCCC1	ZINC000737322907	600138869	/nfs/dbraw/zinc/13/88/69/600138869.db2.gz	RKJAUSNIQUISDU-NEPJUHHUSA-N	-1	0	309.366	0.191	20	30		DCEDRM
N#Cc1cccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1	ZINC000739133037	600171349	/nfs/dbraw/zinc/17/13/49/600171349.db2.gz	YZGDZPZXALTPJW-UHFFFAOYSA-N	-1	0	317.345	0.417	20	30		DCEDRM
N#CCN1CCC(NC(=O)NCCSCC(=O)[O-])CC1	ZINC000739085303	600173223	/nfs/dbraw/zinc/17/32/23/600173223.db2.gz	DXJWKOUBGQAYJT-UHFFFAOYSA-N	-1	0	300.384	0.091	20	30		DCEDRM
N#CCN1CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1	ZINC000739085823	600230109	/nfs/dbraw/zinc/23/01/09/600230109.db2.gz	KYYUOIUQSQBTTJ-UHFFFAOYSA-N	-1	0	323.374	0.356	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)Cc1ccc(OCC#N)cc1	ZINC000737569149	600246377	/nfs/dbraw/zinc/24/63/77/600246377.db2.gz	YFXVXTZLASVYMP-LBPRGKRZSA-N	-1	0	320.301	0.264	20	30		DCEDRM
CCN(CCC(=O)[O-])C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000737095065	600389041	/nfs/dbraw/zinc/38/90/41/600389041.db2.gz	PDVGJDGJEZZOKY-BUHFOSPRSA-N	-1	0	309.322	0.226	20	30		DCEDRM
Cc1ccc(N2C[C@@H](C(=O)N(CC#N)CC(=O)[O-])CC2=O)cc1	ZINC000738608422	600403296	/nfs/dbraw/zinc/40/32/96/600403296.db2.gz	OAYLVUQPKXFGRJ-LBPRGKRZSA-N	-1	0	315.329	0.785	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000739076895	600405213	/nfs/dbraw/zinc/40/52/13/600405213.db2.gz	DWLTUJNPBMJLOD-UHFFFAOYSA-N	-1	0	315.285	0.109	20	30		DCEDRM
COc1ccc(C(C)=O)cc1CC(=O)N(CC#N)CC(=O)[O-]	ZINC000737947390	600407647	/nfs/dbraw/zinc/40/76/47/600407647.db2.gz	LEVJREWXMFDQHI-UHFFFAOYSA-N	-1	0	304.302	0.877	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000739142995	600492573	/nfs/dbraw/zinc/49/25/73/600492573.db2.gz	UUGJPHJFJRXHMT-GFCCVEGCSA-N	-1	0	317.349	0.871	20	30		DCEDRM
N#CCCCCS(=O)(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000739070166	600521089	/nfs/dbraw/zinc/52/10/89/600521089.db2.gz	YHMGJWPMDNIHBX-GFCCVEGCSA-N	-1	0	318.395	0.966	20	30		DCEDRM
COC(=O)[C@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC000737587298	600569153	/nfs/dbraw/zinc/56/91/53/600569153.db2.gz	OAXYUSCKGWKYOH-OLZOCXBDSA-N	-1	0	304.302	0.558	20	30		DCEDRM
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCO[C@@H](C(=O)[O-])C1	ZINC000737580345	600568857	/nfs/dbraw/zinc/56/88/57/600568857.db2.gz	NSIDCJUSHXOIFZ-OLZOCXBDSA-N	-1	0	304.302	0.558	20	30		DCEDRM
C[C@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCS1(=O)=O	ZINC000736811543	600571934	/nfs/dbraw/zinc/57/19/34/600571934.db2.gz	ZCXIOXNSWQUPOB-GWCFXTLKSA-N	-1	0	308.359	0.803	20	30		DCEDRM
CS(=O)(=O)CCNN=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC000738153060	600615307	/nfs/dbraw/zinc/61/53/07/600615307.db2.gz	JMQRGRKENWCZDY-UHFFFAOYSA-N	-1	0	309.347	0.834	20	30		DCEDRM
COc1cc(F)c(S(=O)(=O)N(CC#N)CC(=O)[O-])c(F)c1	ZINC000737890382	600797889	/nfs/dbraw/zinc/79/78/89/600797889.db2.gz	XXYAWTSZQWOGLK-UHFFFAOYSA-N	-1	0	320.273	0.572	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000825618886	600916795	/nfs/dbraw/zinc/91/67/95/600916795.db2.gz	GUXLUSHSZXRMJT-KBPBESRZSA-N	-1	0	320.389	0.865	20	30		DCEDRM
COc1ccc(CNC(=O)CN(CC#N)CC(=O)[O-])cc1OC	ZINC000832323448	601004920	/nfs/dbraw/zinc/00/49/20/601004920.db2.gz	KHZQGXXHPHFCCV-UHFFFAOYSA-N	-1	0	321.333	0.230	20	30		DCEDRM
N#CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)[O-]	ZINC000833066680	601006378	/nfs/dbraw/zinc/00/63/78/601006378.db2.gz	GAIJRZCSRIIEIF-UHFFFAOYSA-N	-1	0	304.306	0.024	20	30		DCEDRM
Cc1c([N+](=O)[O-])cc(C(=O)N(CC#N)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000738304852	601019915	/nfs/dbraw/zinc/01/99/15/601019915.db2.gz	ISEIPDPGLKMSNN-UHFFFAOYSA-N	-1	0	322.233	0.862	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000825687260	601177154	/nfs/dbraw/zinc/17/71/54/601177154.db2.gz	HPTTUUZFVKRUGR-UWVGGRQHSA-N	-1	0	312.322	0.432	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CCO1	ZINC000093932714	601238425	/nfs/dbraw/zinc/23/84/25/601238425.db2.gz	OGVGBCJKRFNKKE-MRVPVSSYSA-N	-1	0	314.294	0.437	20	30		DCEDRM
C#CCN(CC)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000316786401	601242288	/nfs/dbraw/zinc/24/22/88/601242288.db2.gz	ZLPPOZIQCVBEGH-UHFFFAOYSA-N	-1	0	303.318	0.988	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cccc(C#N)c1	ZINC000831589938	601266430	/nfs/dbraw/zinc/26/64/30/601266430.db2.gz	CPTWIOBTGOICJE-CYBMUJFWSA-N	-1	0	312.347	0.716	20	30		DCEDRM
CN(C)C(=O)N1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000830563360	601311223	/nfs/dbraw/zinc/31/12/23/601311223.db2.gz	IKYKZPHGIUUVOR-AWEZNQCLSA-N	-1	0	316.361	0.983	20	30		DCEDRM
Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)nnn1C	ZINC000832854073	601354898	/nfs/dbraw/zinc/35/48/98/601354898.db2.gz	SQDGIGOVTXZBCA-LBPRGKRZSA-N	-1	0	300.274	0.978	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000088376875	601392686	/nfs/dbraw/zinc/39/26/86/601392686.db2.gz	ZHDXRXINRXQFCT-SNVBAGLBSA-N	-1	0	314.294	0.171	20	30		DCEDRM
C#CCN1CCN(C(=O)CSc2ncccc2C(=O)[O-])CC1	ZINC000825620109	601405646	/nfs/dbraw/zinc/40/56/46/601405646.db2.gz	WHDOZNCCDTXIDX-UHFFFAOYSA-N	-1	0	319.386	0.649	20	30		DCEDRM
C[C@@H]1C(=O)Nc2cc(C(=O)N(CC#N)CC(=O)[O-])ccc2N1C	ZINC000828144126	601408077	/nfs/dbraw/zinc/40/80/77/601408077.db2.gz	UOAMEPCLCNEQEI-SECBINFHSA-N	-1	0	316.317	0.514	20	30		DCEDRM
C[C@H]1CCN(c2cc(C(=O)N(CC#N)CC(=O)[O-])ccn2)C1	ZINC000828302839	601565348	/nfs/dbraw/zinc/56/53/48/601565348.db2.gz	JPSJFZJVDLVWQY-NSHDSACASA-N	-1	0	302.334	0.978	20	30		DCEDRM
C[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@@H]1C(=O)[O-]	ZINC000828341285	601763549	/nfs/dbraw/zinc/76/35/49/601763549.db2.gz	PFINGIQGTKGTAS-GWCFXTLKSA-N	-1	0	315.329	0.467	20	30		DCEDRM
C[C@H](CS(=O)(=O)Oc1ccc(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000827571738	601783024	/nfs/dbraw/zinc/78/30/24/601783024.db2.gz	QKEBKWYRWCXAPW-SSDOTTSWSA-N	-1	0	314.275	0.896	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCO1	ZINC000833062212	601857099	/nfs/dbraw/zinc/85/70/99/601857099.db2.gz	JWBMDFKQWIUAFK-VIFPVBQESA-N	-1	0	321.264	0.213	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000828273301	603128203	/nfs/dbraw/zinc/12/82/03/603128203.db2.gz	LJXROQIUCKCKKG-NXEZZACHSA-N	-1	0	304.372	0.103	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000739123032	603319126	/nfs/dbraw/zinc/31/91/26/603319126.db2.gz	LMAYSBGDZJJEMK-GFCCVEGCSA-N	-1	0	316.317	0.755	20	30		DCEDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNS(=O)(=O)CCCC#N	ZINC000826126019	603508019	/nfs/dbraw/zinc/50/80/19/603508019.db2.gz	MGDIMAIFQCUSLR-NXEZZACHSA-N	-1	0	319.383	0.713	20	30		DCEDRM
Cc1noc(CCCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000830921162	603589218	/nfs/dbraw/zinc/58/92/18/603589218.db2.gz	QYTUKSWAXAIGRB-JTQLQIEISA-N	-1	0	307.310	0.415	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccccc1F	ZINC000831081932	603592280	/nfs/dbraw/zinc/59/22/80/603592280.db2.gz	DQDUHRQTFMPCAP-SNVBAGLBSA-N	-1	0	307.281	0.919	20	30		DCEDRM
N#CC1CCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CC1	ZINC000831076781	603600999	/nfs/dbraw/zinc/60/09/99/603600999.db2.gz	SUGCRFJCSMGWRN-GFCCVEGCSA-N	-1	0	307.354	0.279	20	30		DCEDRM
COCc1nc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cs1	ZINC000829045097	603601544	/nfs/dbraw/zinc/60/15/44/603601544.db2.gz	RADCGWAVDLGVSY-QMMMGPOBSA-N	-1	0	310.335	0.617	20	30		DCEDRM
COC(=O)[C@@H](OC(=O)CN(C)C(=O)[O-])c1cccc(C#N)c1	ZINC000828611613	603612395	/nfs/dbraw/zinc/61/23/95/603612395.db2.gz	CGMRINHKWKUZDL-LBPRGKRZSA-N	-1	0	306.274	0.925	20	30		DCEDRM
N#Cc1ccsc1N1CC[C@@H](OC(=O)CCNC(=O)[O-])C1=O	ZINC000831156495	603613194	/nfs/dbraw/zinc/61/31/94/603613194.db2.gz	ADHDVBIGBOWZIE-SECBINFHSA-N	-1	0	323.330	0.926	20	30		DCEDRM
CN(C(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N)c1ccccc1	ZINC000827765985	603727538	/nfs/dbraw/zinc/72/75/38/603727538.db2.gz	XCCUFNOXZJGLGL-ZDUSSCGKSA-N	-1	0	302.334	0.837	20	30		DCEDRM
CN(C(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N)c1ccccc1	ZINC000827765984	603727799	/nfs/dbraw/zinc/72/77/99/603727799.db2.gz	XCCUFNOXZJGLGL-CYBMUJFWSA-N	-1	0	302.334	0.837	20	30		DCEDRM
C#CCCCNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1	ZINC000823444549	603737569	/nfs/dbraw/zinc/73/75/69/603737569.db2.gz	MDZIPUSYNXCEMJ-UHFFFAOYSA-N	-1	0	303.318	0.922	20	30		DCEDRM
CC(C)(CNC(=O)CCNC(=O)C1N=CC=CC1=O)NC(=O)[O-]	ZINC000823911930	603869867	/nfs/dbraw/zinc/86/98/67/603869867.db2.gz	ALPAGAPXANEEFT-QXMHVHEDSA-N	-1	0	324.337	0.065	20	30		DCEDRM
N#Cc1ccc(OCCOC(=O)[C@@H]2COCCN2C(=O)[O-])cc1	ZINC000831141098	603899390	/nfs/dbraw/zinc/89/93/90/603899390.db2.gz	CGIRSMWNDZEDGE-ZDUSSCGKSA-N	-1	0	320.301	0.859	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)C[C@@H]1CCCN1C(=O)[O-])C1CC1	ZINC000823648677	603936019	/nfs/dbraw/zinc/93/60/19/603936019.db2.gz	VEFWKULSCCYSHW-XHDPSFHLSA-N	-1	0	323.349	0.871	20	30		DCEDRM
CN(C(=O)COC(=O)C[C@H]1CCCN1C(=O)[O-])C(C)(C)C#N	ZINC000827773916	603940491	/nfs/dbraw/zinc/94/04/91/603940491.db2.gz	DUAPOUMMHQVPMB-SNVBAGLBSA-N	-1	0	311.338	0.823	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823506866	603970086	/nfs/dbraw/zinc/97/00/86/603970086.db2.gz	OOTYEDMIBWGRBH-UTUOFQBUSA-N	-1	0	324.381	0.603	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)COC1CN(C(=O)[O-])C1	ZINC000829268221	603991781	/nfs/dbraw/zinc/99/17/81/603991781.db2.gz	FNCSGWDIZXCFJD-UHFFFAOYSA-N	-1	0	305.290	0.884	20	30		DCEDRM
CN(C(=O)Cn1nnnc1CNC(=O)[O-])C1(C#N)CCCCC1	ZINC000827781141	604030668	/nfs/dbraw/zinc/03/06/68/604030668.db2.gz	FQYTVRNJUCRZQG-UHFFFAOYSA-N	-1	0	321.341	0.126	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1csc2cncn21	ZINC000831092440	604081074	/nfs/dbraw/zinc/08/10/74/604081074.db2.gz	VSXMJAFTHJGULE-QMMMGPOBSA-N	-1	0	305.319	0.724	20	30		DCEDRM
Cc1noc2ncc(C(=O)N3CCN(C(=O)[O-])C[C@@H]3C#N)cc12	ZINC000830930267	604083087	/nfs/dbraw/zinc/08/30/87/604083087.db2.gz	PWVGSSUVACBTRO-JTQLQIEISA-N	-1	0	315.289	0.859	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)CC1CN(C(=O)[O-])C1)C1CC1	ZINC000823647486	604091006	/nfs/dbraw/zinc/09/10/06/604091006.db2.gz	LKJUWUACBPLNCI-CQSZACIVSA-N	-1	0	309.322	0.338	20	30		DCEDRM
Cn1ncc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1C(F)F	ZINC000831055430	604155104	/nfs/dbraw/zinc/15/51/04/604155104.db2.gz	VLCMOCPKQDUTTD-SSDOTTSWSA-N	-1	0	313.264	0.686	20	30		DCEDRM
COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000828950430	604219254	/nfs/dbraw/zinc/21/92/54/604219254.db2.gz	IPXSRZFFUUQBAB-GARJFASQSA-N	-1	0	311.338	0.284	20	30		DCEDRM
N#C[C@@H](C(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C(=O)NC1CC1	ZINC000831064304	604222794	/nfs/dbraw/zinc/22/27/94/604222794.db2.gz	FJAHQSSDOJSBTL-MNOVXSKESA-N	-1	0	309.322	0.133	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1	ZINC000833078297	604318966	/nfs/dbraw/zinc/31/89/66/604318966.db2.gz	GELLAWMDMBJBHG-UHFFFAOYSA-N	-1	0	316.233	0.395	20	30		DCEDRM
Cc1nnc(N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)c(C#N)c1C	ZINC000830887963	604452463	/nfs/dbraw/zinc/45/24/63/604452463.db2.gz	YBBQAPLCHTYFPT-PWSUYJOCSA-N	-1	0	305.338	0.826	20	30		DCEDRM
COC[C@]1(C)NC(=O)N(Cc2cccc(C(=O)[O-])c2C#N)C1=O	ZINC000833722936	604549295	/nfs/dbraw/zinc/54/92/95/604549295.db2.gz	SHZIHEYMZIQQGT-HNNXBMFYSA-N	-1	0	317.301	0.713	20	30		DCEDRM
CCN(C1CN(C(=O)[O-])C1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000826992132	604576234	/nfs/dbraw/zinc/57/62/34/604576234.db2.gz	AUIPCQLHEOIENP-UHFFFAOYSA-N	-1	0	309.347	0.931	20	30		DCEDRM
CNC(=O)C1(C(=O)OCc2cccc(C(=O)[O-])c2C#N)CC1	ZINC000833699170	604583909	/nfs/dbraw/zinc/58/39/09/604583909.db2.gz	HIZSRKKBBXSNTL-UHFFFAOYSA-N	-1	0	302.286	0.826	20	30		DCEDRM
C=CCCS(=O)(=O)NC1(C(=O)OC)CCC(C(=O)[O-])CC1	ZINC000833374933	604702605	/nfs/dbraw/zinc/70/26/05/604702605.db2.gz	OCBDPXYAIDDJEX-UHFFFAOYSA-N	-1	0	319.379	0.669	20	30		DCEDRM
CC#CCNC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1	ZINC000833381046	605023047	/nfs/dbraw/zinc/02/30/47/605023047.db2.gz	ZDOWBGDYQLSJQU-UHFFFAOYSA-N	-1	0	313.313	0.546	20	30		DCEDRM
C#CCN(Cc1ccccc1CC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000833365192	605073205	/nfs/dbraw/zinc/07/32/05/605073205.db2.gz	ZJKRLMZWOSXHNQ-HNNXBMFYSA-N	-1	0	321.398	0.936	20	30		DCEDRM
N#Cc1ccccc1OCCOC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000831156545	605204672	/nfs/dbraw/zinc/20/46/72/605204672.db2.gz	BPTNDKUYQWFYKV-CYBMUJFWSA-N	-1	0	320.301	0.859	20	30		DCEDRM
C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823474455	605215190	/nfs/dbraw/zinc/21/51/90/605215190.db2.gz	PHJZEHCHIWEHMZ-NSHDSACASA-N	-1	0	314.338	0.333	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC000393802660	605215373	/nfs/dbraw/zinc/21/53/73/605215373.db2.gz	SLVCWXJHGHVKMK-UHFFFAOYSA-N	-1	0	317.345	0.755	20	30		DCEDRM
N#C[C@@H](C(=O)C[C@H]1CSCCN1C(=O)[O-])C(=O)NC1CC1	ZINC000831065051	605347328	/nfs/dbraw/zinc/34/73/28/605347328.db2.gz	OFEOYQFVDLKZJT-UWVGGRQHSA-N	-1	0	311.363	0.459	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccccc1O	ZINC000831082731	605442186	/nfs/dbraw/zinc/44/21/86/605442186.db2.gz	PMDWCLLLQIRUSO-JTQLQIEISA-N	-1	0	305.290	0.485	20	30		DCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833375144	605610095	/nfs/dbraw/zinc/61/00/95/605610095.db2.gz	YGIQPAWKIIMFPF-NXEZZACHSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])cn1	ZINC000833368750	605646114	/nfs/dbraw/zinc/64/61/14/605646114.db2.gz	SVLGYBNEZUCTSS-GXFFZTMASA-N	-1	0	316.313	0.541	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)c1C#N	ZINC000833936688	605695293	/nfs/dbraw/zinc/69/52/93/605695293.db2.gz	OYPNWSFLTDOGJK-JTQLQIEISA-N	-1	0	306.322	0.998	20	30		DCEDRM
C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000826021798	605718962	/nfs/dbraw/zinc/71/89/62/605718962.db2.gz	WWCCXVLXCVCXIP-LLVKDONJSA-N	-1	0	316.313	0.978	20	30		DCEDRM
N#CC1(COC(=O)CN2CCN(C(=O)[O-])CC2=O)CCCC1	ZINC000833964420	605781339	/nfs/dbraw/zinc/78/13/39/605781339.db2.gz	GRTSHLSEASCRHX-UHFFFAOYSA-N	-1	0	309.322	0.436	20	30		DCEDRM
N#CCCNC(=O)COC(=O)Cc1cccc(NC(=O)[O-])c1	ZINC000833965232	605797236	/nfs/dbraw/zinc/79/72/36/605797236.db2.gz	FVZMPDREBVOTTF-UHFFFAOYSA-N	-1	0	305.290	0.892	20	30		DCEDRM
C=CCNC(=O)[C@H](C)OC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823506754	605816910	/nfs/dbraw/zinc/81/69/10/605816910.db2.gz	LJJJUODHADAYLH-VHSXEESVSA-N	-1	0	316.379	0.706	20	30		DCEDRM
N#CCCn1ccc(NC(=O)NC[C@H](NC(=O)[O-])C2CC2)n1	ZINC000833965223	605894605	/nfs/dbraw/zinc/89/46/05/605894605.db2.gz	FOSLQOGHELFGQK-JTQLQIEISA-N	-1	0	306.326	0.964	20	30		DCEDRM
CCN(CC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C(=O)[O-]	ZINC000833856799	605975256	/nfs/dbraw/zinc/97/52/56/605975256.db2.gz	UWMFUMMDZPBFET-UHFFFAOYSA-N	-1	0	308.342	0.254	20	30		DCEDRM
Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NCCC#N	ZINC000822004596	606363066	/nfs/dbraw/zinc/36/30/66/606363066.db2.gz	JIJGJQLPXAGNNK-UHFFFAOYSA-N	-1	0	315.337	0.547	20	30		DCEDRM
Cc1cc(C)n(N=Cc2ccc(O)cn2)c(=O)c1-c1nnn[n-]1	ZINC000826265551	607885423	/nfs/dbraw/zinc/88/54/23/607885423.db2.gz	DLQQNXXKBODNKX-UHFFFAOYSA-N	-1	0	311.305	0.628	20	30		DCEDRM
COc1ccc(Cn2cccc(-c3nnn[n-]3)c2=O)cc1C#N	ZINC000826208643	607973004	/nfs/dbraw/zinc/97/30/04/607973004.db2.gz	TZBOKJPALYOODI-UHFFFAOYSA-N	-1	0	308.301	0.957	20	30		DCEDRM
C=CCCC(=O)Cn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O	ZINC000823888738	608096065	/nfs/dbraw/zinc/09/60/65/608096065.db2.gz	VAKHWZSVAGKVAB-UHFFFAOYSA-N	-1	0	317.305	0.350	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCC1=O	ZINC000824864314	608116998	/nfs/dbraw/zinc/11/69/98/608116998.db2.gz	AGOKIYFDZAYJCN-RQJHMYQMSA-N	-1	0	314.309	0.405	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)[O-]	ZINC000317009347	660987480	/nfs/dbraw/zinc/98/74/80/660987480.db2.gz	PCWHVSGTPJTLLI-JTQLQIEISA-N	-1	0	307.302	0.919	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCCS2(=O)=O)CC1	ZINC000870835944	667765394	/nfs/dbraw/zinc/76/53/94/667765394.db2.gz	OFUDCYZNPDWPCW-SECBINFHSA-N	-1	0	307.393	0.118	20	30		DCEDRM
C#CC1(O)CN(C(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])C1	ZINC000890522962	657570211	/nfs/dbraw/zinc/57/02/11/657570211.db2.gz	JGZGYHBWYHYCHM-UHFFFAOYSA-N	-1	0	313.313	0.407	20	30		DCEDRM
Cn1cc(/C=C/C(=O)c2cc(F)ccc2[O-])c(=O)n(C)c1=O	ZINC000176955644	658433887	/nfs/dbraw/zinc/43/38/87/658433887.db2.gz	QSYOEYRVSOIGCZ-HWKANZROSA-N	-1	0	304.277	0.825	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccn2nccc12	ZINC000892461439	658581503	/nfs/dbraw/zinc/58/15/03/658581503.db2.gz	DOSXKSVMADZRLG-LBPRGKRZSA-N	-1	0	300.318	0.809	20	30		DCEDRM
CCN(C(=O)c1c[nH]c(C#N)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC000949918926	659011928	/nfs/dbraw/zinc/01/19/28/659011928.db2.gz	KBMWLWXZYXBNBB-UHFFFAOYSA-N	-1	0	315.337	0.057	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)c1[O-]	ZINC000982738899	661639232	/nfs/dbraw/zinc/63/92/32/661639232.db2.gz	BQASXJHVVDSCRZ-GFCCVEGCSA-N	-1	0	316.361	0.415	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCCCN2C(=O)[C@H](C)C#N)c1[O-]	ZINC000937469326	662070633	/nfs/dbraw/zinc/07/06/33/662070633.db2.gz	UHCFUKZJVGUYKL-KOLCDFICSA-N	-1	0	319.365	0.694	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC000984587009	662238566	/nfs/dbraw/zinc/23/85/66/662238566.db2.gz	OZXIIZRWNHOVRH-KOLCDFICSA-N	-1	0	319.365	0.646	20	30		DCEDRM
C[C@H]1CC(=NC(=O)c2c[nH]nc2I)NO1	ZINC000897252637	662411020	/nfs/dbraw/zinc/41/10/20/662411020.db2.gz	HGKRFSAVQPBMKD-BYPYZUCNSA-N	-1	0	320.090	0.866	20	30		DCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1	ZINC000899929936	663201697	/nfs/dbraw/zinc/20/16/97/663201697.db2.gz	MATMBBLXGIXSTI-CYBMUJFWSA-N	-1	0	314.407	0.907	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NC[C@]12C[C@H]1COC21CCC1)C(=O)[O-]	ZINC000900308762	663233972	/nfs/dbraw/zinc/23/39/72/663233972.db2.gz	OHELVUNRKRBJMF-YWPYICTPSA-N	-1	0	324.377	0.901	20	30		DCEDRM
O=C([O-])c1ccc(C=NNC(=S)NC[C@@H]2CCCO2)cn1	ZINC000901140088	663325060	/nfs/dbraw/zinc/32/50/60/663325060.db2.gz	WOMBGFSCNWQADQ-JTQLQIEISA-N	-1	0	308.363	0.757	20	30		DCEDRM
COCCC1N=NC(=S)N1N=Cc1cc(C(=O)[O-])cn1C	ZINC000901194547	663329568	/nfs/dbraw/zinc/32/95/68/663329568.db2.gz	MEUPPUQORVDPLS-UHFFFAOYSA-N	-1	0	309.351	0.675	20	30		DCEDRM
CN(C)c1ccc(C(=O)[O-])cc1C=NN1CC(=O)N(C)C1=O	ZINC000901209026	663330595	/nfs/dbraw/zinc/33/05/95/663330595.db2.gz	ZOBSTBNORQAXDU-UHFFFAOYSA-N	-1	0	304.306	0.679	20	30		DCEDRM
COCCOCCS(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F	ZINC000901774203	663366951	/nfs/dbraw/zinc/36/69/51/663366951.db2.gz	ZYDRFNUDCHEODU-QMMMGPOBSA-N	-1	0	304.290	0.413	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H]1CC2(CCC2)CO1)C(=O)[O-]	ZINC000905577253	663566564	/nfs/dbraw/zinc/56/65/64/663566564.db2.gz	MDARRUDGZIXQQY-VXGBXAGGSA-N	-1	0	312.366	0.901	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2c(C)nn(C)c2C)C1	ZINC000906012185	663596947	/nfs/dbraw/zinc/59/69/47/663596947.db2.gz	RVOVXBQODJMTBM-UHFFFAOYSA-N	-1	0	313.379	0.688	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@](CC)(COC)C(=O)[O-]	ZINC000909238040	663788659	/nfs/dbraw/zinc/78/86/59/663788659.db2.gz	MYQFYZOCGNILRE-MJVIPROJSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1cn2cccc(C)c2n1)C(=O)[O-]	ZINC000909772100	663800966	/nfs/dbraw/zinc/80/09/66/663800966.db2.gz	VFEKVJBVAOBILJ-ZDUSSCGKSA-N	-1	0	317.345	0.957	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1nnn(CC2CCCC2)c1C)C(=O)[O-]	ZINC000910051497	663836837	/nfs/dbraw/zinc/83/68/37/663836837.db2.gz	WLGFEJLSRSUIAG-GFCCVEGCSA-N	-1	0	304.350	0.983	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@@H](NC(C)=O)c1ccccc1)C(=O)[O-]	ZINC000910051940	663837047	/nfs/dbraw/zinc/83/70/47/663837047.db2.gz	JEOYXWRTFXUQME-ZIAGYGMSSA-N	-1	0	302.330	0.847	20	30		DCEDRM
C#CC[C@H](NC(=O)C1CCN(c2cnccn2)CC1)C(=O)[O-]	ZINC000910054732	663837888	/nfs/dbraw/zinc/83/78/88/663837888.db2.gz	WSCNJMYPHPRHBU-LBPRGKRZSA-N	-1	0	302.334	0.286	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C(=O)[O-]	ZINC000910050967	663841130	/nfs/dbraw/zinc/84/11/30/663841130.db2.gz	BUGKPLHQYUHBFY-VXGBXAGGSA-N	-1	0	308.378	0.864	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F	ZINC000910352140	663876838	/nfs/dbraw/zinc/87/68/38/663876838.db2.gz	IQEPQMKKWVVQLC-YUMQZZPRSA-N	-1	0	313.297	0.890	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])OCC	ZINC000910760013	663934590	/nfs/dbraw/zinc/93/45/90/663934590.db2.gz	NXZIQDXGLHRGHL-VXGBXAGGSA-N	-1	0	312.366	0.550	20	30		DCEDRM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000912525743	664183995	/nfs/dbraw/zinc/18/39/95/664183995.db2.gz	DUVCWDRZPCTNBM-UHFFFAOYSA-N	-1	0	324.322	0.107	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-]	ZINC000863420358	667141671	/nfs/dbraw/zinc/14/16/71/667141671.db2.gz	MDAVPTWXEWWMPB-VIFPVBQESA-N	-1	0	320.754	0.964	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(OCC(N)=O)c1	ZINC000916952468	665105969	/nfs/dbraw/zinc/10/59/69/665105969.db2.gz	VYIURXKVZULWDD-LBPRGKRZSA-N	-1	0	303.318	0.398	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2CCCS2(=O)=O)cc1	ZINC000917002305	665108061	/nfs/dbraw/zinc/10/80/61/665108061.db2.gz	GRUOOLBAICBNMA-GFCCVEGCSA-N	-1	0	321.358	0.295	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)nc2cc(C)nn21	ZINC000917425524	665132411	/nfs/dbraw/zinc/13/24/11/665132411.db2.gz	ZKPMIULTEVAJPR-NSHDSACASA-N	-1	0	315.333	0.431	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)n(C)n1	ZINC000917517422	665135362	/nfs/dbraw/zinc/13/53/62/665135362.db2.gz	QSGJOPFGSRNMEL-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)C#N)c1[O-]	ZINC001002043404	666125834	/nfs/dbraw/zinc/12/58/34/666125834.db2.gz	NNZDMJQYFPOXLO-WKJUBOCMSA-N	-1	0	317.349	0.445	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1	ZINC001002550222	666188320	/nfs/dbraw/zinc/18/83/20/666188320.db2.gz	COJXOFBWFCEZPP-UHFFFAOYSA-N	-1	0	315.337	0.104	20	30		DCEDRM
O=C([O-])COc1cccc(C=NN[C@@H]2CCS(=O)(=O)C2)c1	ZINC000733201587	666346938	/nfs/dbraw/zinc/34/69/38/666346938.db2.gz	VUKYITHBZORMLM-LLVKDONJSA-N	-1	0	312.347	0.261	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc2nncn2c1	ZINC000733678329	666797161	/nfs/dbraw/zinc/79/71/61/666797161.db2.gz	YAECLGLHLHXMQB-NSHDSACASA-N	-1	0	301.306	0.204	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000861141853	666902284	/nfs/dbraw/zinc/90/22/84/666902284.db2.gz	IKSDUTVCNZQNGC-LLVKDONJSA-N	-1	0	305.396	0.983	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1cccs1	ZINC000788067514	666940511	/nfs/dbraw/zinc/94/05/11/666940511.db2.gz	FRTSEBSWXGXVAH-SECBINFHSA-N	-1	0	314.388	0.336	20	30		DCEDRM
C#CC[C@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1	ZINC000862576100	667049022	/nfs/dbraw/zinc/04/90/22/667049022.db2.gz	DPLWQIBUIZKHJI-NSHDSACASA-N	-1	0	307.375	0.939	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)c1c(F)cc([O-])cc1F	ZINC000735951576	667063693	/nfs/dbraw/zinc/06/36/93/667063693.db2.gz	JTHFAUBSRNQRPX-UHFFFAOYSA-N	-1	0	314.244	0.839	20	30		DCEDRM
C[C@H]1CC/C(=C\C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1	ZINC000863934425	667195259	/nfs/dbraw/zinc/19/52/59/667195259.db2.gz	JISDZHPANVCSEA-XXNJBDPSSA-N	-1	0	314.345	0.950	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)C(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000864182839	667222394	/nfs/dbraw/zinc/22/23/94/667222394.db2.gz	QCSVUKQFUNYTDC-VIFPVBQESA-N	-1	0	313.741	0.932	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1	ZINC000923163197	667467202	/nfs/dbraw/zinc/46/72/02/667467202.db2.gz	OBMMEGUZKQYDRT-RFGFWPKPSA-N	-1	0	309.362	0.896	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000838800240	667707581	/nfs/dbraw/zinc/70/75/81/667707581.db2.gz	UYJRJNGQFFLQTQ-UHFFFAOYSA-N	-1	0	322.342	0.209	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)CC(=O)OCC	ZINC000838846196	667711418	/nfs/dbraw/zinc/71/14/18/667711418.db2.gz	FXLLXYQXQTZEOT-GFCCVEGCSA-N	-1	0	307.368	0.224	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)[C@H](C)O1	ZINC000870297670	667728685	/nfs/dbraw/zinc/72/86/85/667728685.db2.gz	RWCXAOYUDAMRPG-VWYCJHECSA-N	-1	0	300.380	0.940	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1CN(C)C	ZINC000870642143	667749685	/nfs/dbraw/zinc/74/96/85/667749685.db2.gz	OMWHVFLVBGSDIO-LBPRGKRZSA-N	-1	0	324.402	0.591	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccc(N3CCCC3)nn2)CC1	ZINC000870832763	667764877	/nfs/dbraw/zinc/76/48/77/667764877.db2.gz	QAVYZPRQQHSAGB-UHFFFAOYSA-N	-1	0	322.390	0.855	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC(F)F)CC1	ZINC000870836816	667765453	/nfs/dbraw/zinc/76/54/53/667765453.db2.gz	NPDUNNRUCSNGJO-VIFPVBQESA-N	-1	0	324.349	0.117	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](OCC)[C@H]2CCOC2)CC1	ZINC000870839752	667765483	/nfs/dbraw/zinc/76/54/83/667765483.db2.gz	VEPLAAGYAMAHIW-QWRGUYRKSA-N	-1	0	303.380	0.593	20	30		DCEDRM
CC#CCN(C)S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC	ZINC000871968464	667860264	/nfs/dbraw/zinc/86/02/64/667860264.db2.gz	AUGAQJBJXORRNB-UHFFFAOYSA-N	-1	0	311.359	0.966	20	30		DCEDRM
N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)Cc2ccon2)c1	ZINC000747179614	667896223	/nfs/dbraw/zinc/89/62/23/667896223.db2.gz	QSFBMIMPRGLYQE-UHFFFAOYSA-N	-1	0	321.314	0.571	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc2c(cnn2C)c1	ZINC000747479224	667904825	/nfs/dbraw/zinc/90/48/25/667904825.db2.gz	ITQOIYZJHJIAJD-NSHDSACASA-N	-1	0	301.306	0.053	20	30		DCEDRM
N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000747752537	667911712	/nfs/dbraw/zinc/91/17/12/667911712.db2.gz	YGOAPEIKXUTKSE-WAYWQWQTSA-N	-1	0	321.358	0.265	20	30		DCEDRM
CN(CC(=O)Nc1cc(C#N)ccc1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000748410185	667926887	/nfs/dbraw/zinc/92/68/87/667926887.db2.gz	HMJYXNZJQWBTKF-NSHDSACASA-N	-1	0	323.374	0.321	20	30		DCEDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000748844940	667940612	/nfs/dbraw/zinc/94/06/12/667940612.db2.gz	CRVBILDPBORZTE-UHFFFAOYSA-N	-1	0	324.358	0.880	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)nn1C	ZINC000750416398	667978022	/nfs/dbraw/zinc/97/80/22/667978022.db2.gz	JKURAFNGEBDBHA-UHFFFAOYSA-N	-1	0	318.358	0.860	20	30		DCEDRM
O=C([O-])COc1ccccc1C=NN[C@@H]1CCS(=O)(=O)C1	ZINC000751324309	667999770	/nfs/dbraw/zinc/99/97/70/667999770.db2.gz	DWEYZVCHMRCFPH-LLVKDONJSA-N	-1	0	312.347	0.261	20	30		DCEDRM
C#CCOCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000753231055	668027814	/nfs/dbraw/zinc/02/78/14/668027814.db2.gz	LRHWSGLSSOMPBL-UHFFFAOYSA-N	-1	0	317.370	0.602	20	30		DCEDRM
CCNC(=O)CCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000753945012	668038638	/nfs/dbraw/zinc/03/86/38/668038638.db2.gz	ITDDAZQNBRPMIZ-UHFFFAOYSA-N	-1	0	301.368	0.043	20	30		DCEDRM
C#CC(=O)Nc1nnc([N-]S(=O)(=O)c2ccccc2)s1	ZINC000753962643	668038829	/nfs/dbraw/zinc/03/88/29/668038829.db2.gz	OXBZSGLPNBOPKW-UHFFFAOYSA-N	-1	0	308.344	0.911	20	30		DCEDRM
Cc1noc(CCC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC000754669349	668049320	/nfs/dbraw/zinc/04/93/20/668049320.db2.gz	ZHLPCILNNPLPCV-UHFFFAOYSA-N	-1	0	320.330	0.687	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C(F)(F)c1nccs1	ZINC000755840449	668067336	/nfs/dbraw/zinc/06/73/36/668067336.db2.gz	YBYDYDMVJPBVAK-UHFFFAOYSA-N	-1	0	309.319	0.985	20	30		DCEDRM
NC(=O)c1ccc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])nn1	ZINC000756838166	668103000	/nfs/dbraw/zinc/10/30/00/668103000.db2.gz	JUNJXYHATSERKV-UHFFFAOYSA-N	-1	0	302.250	0.635	20	30		DCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cccc(CCOC(C)=O)c1	ZINC000839566071	668117985	/nfs/dbraw/zinc/11/79/85/668117985.db2.gz	BPRNKYKQAPTFJO-UHFFFAOYSA-N	-1	0	306.318	0.965	20	30		DCEDRM
N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)c2cnccn2)c1	ZINC000758580033	668185167	/nfs/dbraw/zinc/18/51/67/668185167.db2.gz	ZKVCEINMIMRTBD-UHFFFAOYSA-N	-1	0	318.314	0.232	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2COCCO2)CCCCC1	ZINC000760405084	668270737	/nfs/dbraw/zinc/27/07/37/668270737.db2.gz	XCPBOUVSECAUMF-LLVKDONJSA-N	-1	0	316.379	0.322	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cc1	ZINC000762133762	668348539	/nfs/dbraw/zinc/34/85/39/668348539.db2.gz	PWZJNKICHBBITQ-GFCCVEGCSA-N	-1	0	324.358	0.420	20	30		DCEDRM
Cc1[n-]n2c(nc3ccccc3c2=O)c1C=NNS(C)(=O)=O	ZINC000764701714	668458102	/nfs/dbraw/zinc/45/81/02/668458102.db2.gz	QHKSLXZNURQUHO-UHFFFAOYSA-N	-1	0	319.346	0.367	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@]23CCOC3)cc1	ZINC000764754210	668460973	/nfs/dbraw/zinc/46/09/73/668460973.db2.gz	TTZUCOIPEQQJOO-TZMCWYRMSA-N	-1	0	306.343	0.790	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCOC3)cc1	ZINC000764754126	668461132	/nfs/dbraw/zinc/46/11/32/668461132.db2.gz	QFRZUAXHMBTJKQ-DZGCQCFKSA-N	-1	0	320.370	0.931	20	30		DCEDRM
COC(=O)C1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)CC1	ZINC000766890313	668549505	/nfs/dbraw/zinc/54/95/05/668549505.db2.gz	VJOAUHZAZKOBDO-UHFFFAOYSA-N	-1	0	314.363	0.470	20	30		DCEDRM
C#CC[C@H](NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])c1ccccc1	ZINC000929034010	668646175	/nfs/dbraw/zinc/64/61/75/668646175.db2.gz	PKMHTFGVXIWLSH-HZSPNIEDSA-N	-1	0	302.330	0.980	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771079014	668729954	/nfs/dbraw/zinc/72/99/54/668729954.db2.gz	RGIVZEWPULQBMF-UHFFFAOYSA-N	-1	0	306.347	0.650	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCN(C)C2=O)n1	ZINC000772525374	668776513	/nfs/dbraw/zinc/77/65/13/668776513.db2.gz	YOQFUKPBDRHMED-NXEZZACHSA-N	-1	0	321.358	0.649	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)COCCNC(=O)OC(C)(C)C	ZINC000772723820	668782655	/nfs/dbraw/zinc/78/26/55/668782655.db2.gz	UHJJGEIXQJFWAY-UHFFFAOYSA-N	-1	0	322.383	0.160	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H]1Oc2ccccc2NC1=O	ZINC000772713004	668782012	/nfs/dbraw/zinc/78/20/12/668782012.db2.gz	LUGLUPOWYZFCNY-LLVKDONJSA-N	-1	0	310.331	0.408	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)C(C)(C)C	ZINC000772721144	668782678	/nfs/dbraw/zinc/78/26/78/668782678.db2.gz	GIOXVYHQJSTPNA-VIFPVBQESA-N	-1	0	320.436	0.566	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)cc1F	ZINC000774248723	668828074	/nfs/dbraw/zinc/82/80/74/668828074.db2.gz	HGQLUFXZWBIGHL-UHFFFAOYSA-N	-1	0	301.295	0.858	20	30		DCEDRM
Cn1nc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc1C1CC1	ZINC000776140870	668871538	/nfs/dbraw/zinc/87/15/38/668871538.db2.gz	OIZDZDHAIOASRF-UHFFFAOYSA-N	-1	0	310.379	0.907	20	30		DCEDRM
Cn1nnc2cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)ccc21	ZINC000776137522	668871662	/nfs/dbraw/zinc/87/16/62/668871662.db2.gz	ADURONBECKLSAP-UHFFFAOYSA-N	-1	0	321.362	0.578	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)nc1	ZINC000776314665	668875206	/nfs/dbraw/zinc/87/52/06/668875206.db2.gz	NPVLQJCJUHEPLP-JTQLQIEISA-N	-1	0	301.335	0.397	20	30		DCEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNC1CCS(=O)(=O)CC1	ZINC000776792555	668881473	/nfs/dbraw/zinc/88/14/73/668881473.db2.gz	LPILMWNEBUGXQV-UHFFFAOYSA-N	-1	0	313.335	0.801	20	30		DCEDRM
Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cn1	ZINC000779320201	668909760	/nfs/dbraw/zinc/90/97/60/668909760.db2.gz	SOBJFTQWVUPICQ-PLNGDYQASA-N	-1	0	322.390	0.963	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1)OCC	ZINC000781500283	669046887	/nfs/dbraw/zinc/04/68/87/669046887.db2.gz	KOLRLLOJIMZYIE-RYUDHWBXSA-N	-1	0	305.396	0.983	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@]12CCOC2	ZINC000781593502	669051487	/nfs/dbraw/zinc/05/14/87/669051487.db2.gz	CHMGQCINXOYHNV-YGRLFVJLSA-N	-1	0	324.333	0.929	20	30		DCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cnc2n[nH]nc2c1	ZINC000783069278	669142361	/nfs/dbraw/zinc/14/23/61/669142361.db2.gz	VHPTZJGNPBHWEJ-SNVBAGLBSA-N	-1	0	300.322	0.982	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000783123887	669144057	/nfs/dbraw/zinc/14/40/57/669144057.db2.gz	JYXNBGFSTCWHER-DGCLKSJQSA-N	-1	0	305.396	0.840	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@H]1CCCCO1)cc2=O	ZINC000784286993	669197036	/nfs/dbraw/zinc/19/70/36/669197036.db2.gz	PMWYURQNBBAZGB-LLVKDONJSA-N	-1	0	302.290	0.919	20	30		DCEDRM
C#CCOCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000784457673	669205913	/nfs/dbraw/zinc/20/59/13/669205913.db2.gz	PKTLFUFFJXWZAP-UHFFFAOYSA-N	-1	0	302.283	0.662	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(C(=O)NC2CC2)c1	ZINC000784539307	669208906	/nfs/dbraw/zinc/20/89/06/669208906.db2.gz	QQIFBRUORAXDAX-UHFFFAOYSA-N	-1	0	308.359	0.824	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)Cc1ccccc1C#N)C(=O)[O-]	ZINC000787934756	669413206	/nfs/dbraw/zinc/41/32/06/669413206.db2.gz	PUMSOEHNTAJXJF-LBPRGKRZSA-N	-1	0	310.331	0.410	20	30		DCEDRM
O=C([O-])COc1ccc(C=NN[C@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000788455548	669441133	/nfs/dbraw/zinc/44/11/33/669441133.db2.gz	GPMJZNBSYSWFEJ-JTQLQIEISA-N	-1	0	309.278	0.771	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)cc1	ZINC000791110285	669594529	/nfs/dbraw/zinc/59/45/29/669594529.db2.gz	ATYFHDWWQKTYIQ-UHFFFAOYSA-N	-1	0	303.343	0.955	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2ncccc2F)cn1	ZINC000791942930	669641289	/nfs/dbraw/zinc/64/12/89/669641289.db2.gz	ZNFRMAQULNVOJM-UHFFFAOYSA-N	-1	0	306.278	0.606	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc(OC)c(Cl)c1	ZINC000810779020	669674407	/nfs/dbraw/zinc/67/44/07/669674407.db2.gz	VKPQMAXVAKSUGT-UHFFFAOYSA-N	-1	0	302.739	0.827	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(F)c(S(C)(=O)=O)c1	ZINC000793122330	669702038	/nfs/dbraw/zinc/70/20/38/669702038.db2.gz	AUGUZPMGKKXIOP-JTQLQIEISA-N	-1	0	324.333	0.854	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccn2)cn1	ZINC000793313673	669714368	/nfs/dbraw/zinc/71/43/68/669714368.db2.gz	IXJBOWQZWAECSI-UHFFFAOYSA-N	-1	0	302.315	0.608	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)c1cc(=O)cc(C(=O)N[C@H](C#C)CC)[n-]1	ZINC000935630706	669752408	/nfs/dbraw/zinc/75/24/08/669752408.db2.gz	LZFLAOXVXFYGCK-TXEJJXNPSA-N	-1	0	313.357	0.658	20	30		DCEDRM
CC(C)n1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)nn1	ZINC000796711342	669940249	/nfs/dbraw/zinc/94/02/49/669940249.db2.gz	HGQNPBFPZPJAQF-UHFFFAOYSA-N	-1	0	319.346	0.849	20	30		DCEDRM
N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796871662	669945137	/nfs/dbraw/zinc/94/51/37/669945137.db2.gz	ABOXVCZIHISLGX-UHFFFAOYSA-N	-1	0	306.303	0.431	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796875010	669945786	/nfs/dbraw/zinc/94/57/86/669945786.db2.gz	RPDDCXNWARMDHR-UHFFFAOYSA-N	-1	0	308.319	0.488	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)OCC	ZINC000797300776	669964545	/nfs/dbraw/zinc/96/45/45/669964545.db2.gz	NNHPZZKLYDKTPK-NXEZZACHSA-N	-1	0	307.368	0.365	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CCCc2c[nH]nc21)C(=O)[O-]	ZINC000797724432	669974015	/nfs/dbraw/zinc/97/40/15/669974015.db2.gz	LXGNFRBHCUHYJC-QWRGUYRKSA-N	-1	0	308.338	0.742	20	30		DCEDRM
C[C@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)n1cnc(C#N)n1	ZINC000798742163	670020835	/nfs/dbraw/zinc/02/08/35/670020835.db2.gz	HRXPWJHZNQNAQJ-SSDOTTSWSA-N	-1	0	319.243	0.323	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000799080410	670037708	/nfs/dbraw/zinc/03/77/08/670037708.db2.gz	IMCUQZKJPAJKFC-AWEZNQCLSA-N	-1	0	313.357	0.978	20	30		DCEDRM
Cc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1C#N	ZINC000799834059	670074575	/nfs/dbraw/zinc/07/45/75/670074575.db2.gz	HHUVULXAHRKERP-UHFFFAOYSA-N	-1	0	305.319	0.641	20	30		DCEDRM
Cc1cc(COCC(=O)[N-]S(=O)(=O)CCCC#N)on1	ZINC000802126142	670151459	/nfs/dbraw/zinc/15/14/59/670151459.db2.gz	FLXIDONKCQOPAL-UHFFFAOYSA-N	-1	0	301.324	0.249	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)[N-]OCCCOC)cc1	ZINC000807436957	670362286	/nfs/dbraw/zinc/36/22/86/670362286.db2.gz	YMDJGECWVCQYDJ-UHFFFAOYSA-N	-1	0	306.318	0.721	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1	ZINC000808996588	670434929	/nfs/dbraw/zinc/43/49/29/670434929.db2.gz	HOWQREPXBOVNHX-UHFFFAOYSA-N	-1	0	304.759	0.532	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000809030506	670438039	/nfs/dbraw/zinc/43/80/39/670438039.db2.gz	USJBXWSIPMMPDA-UHFFFAOYSA-N	-1	0	301.368	0.516	20	30		DCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CCCC#N)CCOCC1	ZINC000810656609	670492893	/nfs/dbraw/zinc/49/28/93/670492893.db2.gz	JSHUREKSQOKBII-UHFFFAOYSA-N	-1	0	304.368	0.179	20	30		DCEDRM
CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000195497143	670495575	/nfs/dbraw/zinc/49/55/75/670495575.db2.gz	PNFDSBHNSWOGOV-OLZOCXBDSA-N	-1	0	308.359	0.929	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1CCN(CC(F)F)CC1	ZINC000810779954	670497385	/nfs/dbraw/zinc/49/73/85/670497385.db2.gz	IDGQNGFMRDLYAP-UHFFFAOYSA-N	-1	0	308.350	0.433	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCOCC(F)(F)C(F)F	ZINC000810782052	670497749	/nfs/dbraw/zinc/49/77/49/670497749.db2.gz	HAJXRXLAEPHUGO-UHFFFAOYSA-N	-1	0	319.276	0.763	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H](NC(N)=O)c1ccccc1	ZINC000810783185	670497945	/nfs/dbraw/zinc/49/79/45/670497945.db2.gz	IAEYNVSJQSNQDZ-LBPRGKRZSA-N	-1	0	323.374	0.255	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cncc(OCCOC)c1	ZINC000810784512	670497954	/nfs/dbraw/zinc/49/79/54/670497954.db2.gz	IIIBVHWDXGETFQ-UHFFFAOYSA-N	-1	0	312.347	0.190	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)cc1	ZINC000810786423	670497998	/nfs/dbraw/zinc/49/79/98/670497998.db2.gz	IJJJCKXYNQPDID-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000810826920	670498646	/nfs/dbraw/zinc/49/86/46/670498646.db2.gz	ISTKNDFBTIZTIH-UHFFFAOYSA-N	-1	0	320.330	0.864	20	30		DCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000810828980	670498648	/nfs/dbraw/zinc/49/86/48/670498648.db2.gz	UWUIMFBEMOCZMB-UHFFFAOYSA-N	-1	0	306.303	0.556	20	30		DCEDRM
COCC1(S(=O)(=O)[N-]C(=O)c2ccccc2OCC#N)CC1	ZINC000811154346	670511010	/nfs/dbraw/zinc/51/10/10/670511010.db2.gz	ZCFZVRXHOMWUSD-UHFFFAOYSA-N	-1	0	324.358	0.828	20	30		DCEDRM
C#CCO[N-]C(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1	ZINC000812782995	670595810	/nfs/dbraw/zinc/59/58/10/670595810.db2.gz	UDHUEUYXINQCCB-UHFFFAOYSA-N	-1	0	310.375	0.605	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O	ZINC000812782351	670596061	/nfs/dbraw/zinc/59/60/61/670596061.db2.gz	RGJSVHHQROOLHI-LBPRGKRZSA-N	-1	0	316.313	0.492	20	30		DCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000854649441	670604993	/nfs/dbraw/zinc/60/49/93/670604993.db2.gz	YYJYKMLYSSYAMT-SNVBAGLBSA-N	-1	0	318.289	0.140	20	30		DCEDRM
C#C[C@H](CO)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S	ZINC000854766010	670625378	/nfs/dbraw/zinc/62/53/78/670625378.db2.gz	TXAFQNJSLXLYNQ-SNVBAGLBSA-N	-1	0	317.370	0.186	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000813950865	670664843	/nfs/dbraw/zinc/66/48/43/670664843.db2.gz	JWSAASUBTQTFCC-JTQLQIEISA-N	-1	0	301.368	0.515	20	30		DCEDRM
CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813982085	670667688	/nfs/dbraw/zinc/66/76/88/670667688.db2.gz	BQLGWHNEMNSCFR-UHFFFAOYSA-N	-1	0	319.346	0.368	20	30		DCEDRM
Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)cn1	ZINC000813983512	670668180	/nfs/dbraw/zinc/66/81/80/670668180.db2.gz	BCISKPQHUZXICU-IHWYPQMZSA-N	-1	0	317.330	0.205	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC000855008155	670669147	/nfs/dbraw/zinc/66/91/47/670669147.db2.gz	YUFUWCAXKYTYLW-NSHDSACASA-N	-1	0	322.386	0.915	20	30		DCEDRM
COc1cc(C=Nn2c(=O)[n-][nH]c2=O)c([N+](=O)[O-])cc1OC	ZINC000814233329	670682205	/nfs/dbraw/zinc/68/22/05/670682205.db2.gz	LLQHOTFRMIRJQX-UHFFFAOYSA-N	-1	0	309.238	0.497	20	30		DCEDRM
O=C([O-])CN(C(=O)CCNC(=O)C1N=CC=CC1=O)C1CCC1	ZINC000848455264	670685803	/nfs/dbraw/zinc/68/58/03/670685803.db2.gz	MRZDQJPOPPNHGO-PFONDFGASA-N	-1	0	321.333	0.369	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)C(=O)[O-]	ZINC000848599493	670701642	/nfs/dbraw/zinc/70/16/42/670701642.db2.gz	KRGLCNIWWPNQDQ-ZJUUUORDSA-N	-1	0	319.317	0.753	20	30		DCEDRM
C=CC[C@@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000855438239	670711655	/nfs/dbraw/zinc/71/16/55/670711655.db2.gz	CSVAMFWXVIIBEG-LLVKDONJSA-N	-1	0	301.350	0.886	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)c(F)c1C	ZINC000849219116	670765843	/nfs/dbraw/zinc/76/58/43/670765843.db2.gz	IALHXJUVPFIIMK-UHFFFAOYSA-N	-1	0	315.322	0.851	20	30		DCEDRM
N#Cc1ccc(NCC(=O)[N-]OCCN2CCCC2=O)cc1	ZINC000856039072	670779443	/nfs/dbraw/zinc/77/94/43/670779443.db2.gz	OCNBKKVGCLUQKZ-UHFFFAOYSA-N	-1	0	302.334	0.640	20	30		DCEDRM
CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000816015039	670779728	/nfs/dbraw/zinc/77/97/28/670779728.db2.gz	WNSLNAYCOANIPI-MNOVXSKESA-N	-1	0	300.380	0.941	20	30		DCEDRM
N#Cc1sccc1N1CCN(C(=O)COCC(=O)[O-])CC1	ZINC000849364089	670781419	/nfs/dbraw/zinc/78/14/19/670781419.db2.gz	DHDGIDLJJNVIDG-UHFFFAOYSA-N	-1	0	309.347	0.370	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)C[C@H](OC)C1CCCC1)C(=O)OC	ZINC000849398031	670789267	/nfs/dbraw/zinc/78/92/67/670789267.db2.gz	JBLCXDSVNQOPDD-STQMWFEESA-N	-1	0	317.407	0.676	20	30		DCEDRM
CCCCCCCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000817109112	670895067	/nfs/dbraw/zinc/89/50/67/670895067.db2.gz	AQLRFYRIBGBHQO-GFCCVEGCSA-N	-1	0	314.382	0.775	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c1	ZINC000817116166	670897727	/nfs/dbraw/zinc/89/77/27/670897727.db2.gz	WZZKIBGSIJKCIG-NSHDSACASA-N	-1	0	302.330	0.463	20	30		DCEDRM
COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)[C@H](C)CC#N	ZINC000850734817	670937487	/nfs/dbraw/zinc/93/74/87/670937487.db2.gz	GEEGAGOGAZBDIX-SSDOTTSWSA-N	-1	0	316.360	0.889	20	30		DCEDRM
COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000850844867	670948841	/nfs/dbraw/zinc/94/88/41/670948841.db2.gz	RRWRDYYQUPSIFP-NSHDSACASA-N	-1	0	312.347	0.333	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1	ZINC000850848251	670949553	/nfs/dbraw/zinc/94/95/53/670949553.db2.gz	ULEMBWUWMAPISC-SNVBAGLBSA-N	-1	0	323.374	0.743	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000817890509	670950675	/nfs/dbraw/zinc/95/06/75/670950675.db2.gz	ZAWXNEJKLJKXHM-NSHDSACASA-N	-1	0	318.329	0.816	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](CCC(C)C)NC(C)=O	ZINC000850999603	670960214	/nfs/dbraw/zinc/96/02/14/670960214.db2.gz	GUYASXUUECSKKA-LBPRGKRZSA-N	-1	0	302.396	0.397	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CCC1	ZINC000851040408	670963638	/nfs/dbraw/zinc/96/36/38/670963638.db2.gz	JHZSWROBVLRGJF-LBPRGKRZSA-N	-1	0	309.347	0.573	20	30		DCEDRM
CC1(C(=O)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)COC1	ZINC000851191916	670972758	/nfs/dbraw/zinc/97/27/58/670972758.db2.gz	SODLXFZXCJXQRJ-UHFFFAOYSA-N	-1	0	312.322	0.680	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)NCCCCC(=O)[O-])CCCCC1	ZINC000851683596	671012410	/nfs/dbraw/zinc/01/24/10/671012410.db2.gz	KJPLSGNBWGUGNZ-UHFFFAOYSA-N	-1	0	309.366	0.948	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(OC)c(Br)c1	ZINC000819945014	671149272	/nfs/dbraw/zinc/14/92/72/671149272.db2.gz	CVWKGAWTXGSGMD-SSDOTTSWSA-N	-1	0	312.123	0.921	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C	ZINC000860549155	671217960	/nfs/dbraw/zinc/21/79/60/671217960.db2.gz	LOWWOBJYXGPSFP-ZDUSSCGKSA-N	-1	0	323.374	0.442	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cn3c(n2)COCC3)CCC1	ZINC000860671591	671228922	/nfs/dbraw/zinc/22/89/22/671228922.db2.gz	GFBLBQBHQBVRKY-UHFFFAOYSA-N	-1	0	324.362	0.167	20	30		DCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2cnnn2-c2ccccc2)nn1	ZINC000821008630	671245282	/nfs/dbraw/zinc/24/52/82/671245282.db2.gz	RJSDGWICFCALLP-VOTSOKGWSA-N	-1	0	324.300	0.840	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C/c2cccc(O)c2)c(=O)n(C)c1=O	ZINC000821012606	671245913	/nfs/dbraw/zinc/24/59/13/671245913.db2.gz	LGAHDLNPBDTFKA-VOTSOKGWSA-N	-1	0	302.286	0.391	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000861015134	671259561	/nfs/dbraw/zinc/25/95/61/671259561.db2.gz	DFXDYWCBNQKBSF-JTQLQIEISA-N	-1	0	324.333	0.682	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cc2c(s1)CCOC2	ZINC000821583775	671284357	/nfs/dbraw/zinc/28/43/57/671284357.db2.gz	HJJBYEUYCDXVQN-UHFFFAOYSA-N	-1	0	300.361	0.794	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CN1CCCCCCC1=O	ZINC000821583661	671284262	/nfs/dbraw/zinc/28/42/62/671284262.db2.gz	CTSXEMKOCGBZDA-UHFFFAOYSA-N	-1	0	301.368	0.139	20	30		DCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CCC#N)NC(=O)C1CCCC1	ZINC000821584325	671284814	/nfs/dbraw/zinc/28/48/14/671284814.db2.gz	YRDSHSQANYUCJL-SNVBAGLBSA-N	-1	0	315.395	0.431	20	30		DCEDRM
CC(=O)Nc1nc(Cn2cnc(C#N)c2-c2nn[nH]n2)cs1	ZINC000824004619	671415507	/nfs/dbraw/zinc/41/55/07/671415507.db2.gz	AGKGIRXBKUBLLZ-UHFFFAOYSA-N	-1	0	315.322	0.398	20	30		DCEDRM
C[C@H]1CCCC[C@H]1NC(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000824937446	671444696	/nfs/dbraw/zinc/44/46/96/671444696.db2.gz	PSUSMNJHFKLPJH-VHSXEESVSA-N	-1	0	314.353	0.630	20	30		DCEDRM
O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1COCCN1CC(F)(F)F	ZINC000329288420	1158092955	/nfs/dbraw/zinc/09/29/55/1158092955.db2.gz	PSACKTGGNSXOMQ-ZCFIWIBFSA-N	-1	0	309.248	0.230	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1nc(-c2ccoc2)no1	ZINC000826383139	671486749	/nfs/dbraw/zinc/48/67/49/671486749.db2.gz	MLROKLHFHKECTJ-UHFFFAOYSA-N	-1	0	309.249	0.626	20	30		DCEDRM
N#Cc1c(F)cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1F	ZINC000826834567	671502932	/nfs/dbraw/zinc/50/29/32/671502932.db2.gz	UHOUONLUVLITKT-LLVKDONJSA-N	-1	0	320.259	0.563	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1	ZINC000826834608	671502935	/nfs/dbraw/zinc/50/29/35/671502935.db2.gz	UWQHSWQQQYHPTQ-NSHDSACASA-N	-1	0	302.269	0.424	20	30		DCEDRM
C[C@@H]1CC(=NC(=O)c2cc(C(=O)N=C3C[C@@H](C)ON3)[n-]n2)NO1	ZINC000831399675	671667631	/nfs/dbraw/zinc/66/76/31/671667631.db2.gz	QGAYJHAZBMBAIB-RNFRBKRXSA-N	-1	0	320.309	0.114	20	30		DCEDRM
C#CCCN1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC1	ZINC000833362479	671747058	/nfs/dbraw/zinc/74/70/58/671747058.db2.gz	ULRWXYQGNJZJLN-UHFFFAOYSA-N	-1	0	315.373	0.964	20	30		DCEDRM
C#CCCN1CCN(Cc2noc(CCCC(=O)[O-])n2)CC1	ZINC000833362590	671747156	/nfs/dbraw/zinc/74/71/56/671747156.db2.gz	ZQAZPMKHUGJVCN-UHFFFAOYSA-N	-1	0	306.366	0.618	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2	ZINC000835271632	671792367	/nfs/dbraw/zinc/79/23/67/671792367.db2.gz	XLYRVTFPZWSGAD-LLVKDONJSA-N	-1	0	323.370	0.855	20	30		DCEDRM
C[C@@H](Oc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835411150	671795833	/nfs/dbraw/zinc/79/58/33/671795833.db2.gz	DPNXJLNRKAPJEM-SECBINFHSA-N	-1	0	300.311	0.953	20	30		DCEDRM
COC(=O)[C@@H](F)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000841544408	671942034	/nfs/dbraw/zinc/94/20/34/671942034.db2.gz	DVJWHQYELLSQQY-VIFPVBQESA-N	-1	0	322.264	0.626	20	30		DCEDRM
Cc1nccc(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n1	ZINC000842753743	672034234	/nfs/dbraw/zinc/03/42/34/672034234.db2.gz	IOFYFSCVIFIRTF-UHFFFAOYSA-N	-1	0	308.363	0.467	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000843055690	672057144	/nfs/dbraw/zinc/05/71/44/672057144.db2.gz	NJDZDZCZHJENOH-UHFFFAOYSA-N	-1	0	304.346	0.185	20	30		DCEDRM
CC[C@H](C)C[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000844785978	672202726	/nfs/dbraw/zinc/20/27/26/672202726.db2.gz	FDBSTZJDTNTTMC-GARJFASQSA-N	-1	0	305.400	0.802	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCC(OCC(=O)[O-])CC2)CC1	ZINC000844794157	672203153	/nfs/dbraw/zinc/20/31/53/672203153.db2.gz	YLWFKDZSTSQZBW-UHFFFAOYSA-N	-1	0	316.379	0.576	20	30		DCEDRM
COC1(C(=O)[O-])CCN(S(=O)(=O)CC2(CC#N)CC2)CC1	ZINC000844798651	672203754	/nfs/dbraw/zinc/20/37/54/672203754.db2.gz	KZAGYFCVMDTVQK-UHFFFAOYSA-N	-1	0	316.379	0.576	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)Cn2nc3n(c2=O)CCCC3)c1	ZINC000845887302	672280742	/nfs/dbraw/zinc/28/07/42/672280742.db2.gz	KJDIHRVXEHOVQY-UHFFFAOYSA-N	-1	0	313.317	0.597	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(N2CCNC2=O)c1	ZINC000846150727	672297384	/nfs/dbraw/zinc/29/73/84/672297384.db2.gz	NRPJCWNKKCNSRQ-UHFFFAOYSA-N	-1	0	318.333	0.779	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(C(=O)NCC)cc1	ZINC000846151311	672297502	/nfs/dbraw/zinc/29/75/02/672297502.db2.gz	ZOZRYSCICXDYED-UHFFFAOYSA-N	-1	0	305.334	0.999	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccnc1N1CCOCC1	ZINC000846154790	672297820	/nfs/dbraw/zinc/29/78/20/672297820.db2.gz	NBGMKJRXPAPLQL-LLVKDONJSA-N	-1	0	320.349	0.479	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc2c1CN(C)C2=O	ZINC000846157187	672298158	/nfs/dbraw/zinc/29/81/58/672298158.db2.gz	RVDPDEQKTGBAJG-VIFPVBQESA-N	-1	0	303.318	0.833	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1	ZINC000846546073	672326856	/nfs/dbraw/zinc/32/68/56/672326856.db2.gz	LBYMNAUPJZZOCO-ZYHUDNBSSA-N	-1	0	320.349	0.799	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)NCC2(C(=O)[O-])CCC2)nc1	ZINC000738430632	685324533	/nfs/dbraw/zinc/32/45/33/685324533.db2.gz	IVGUAPQNDAWXAW-UHFFFAOYSA-N	-1	0	317.349	0.919	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCc2cnn(C)c2C1	ZINC000798843663	685346899	/nfs/dbraw/zinc/34/68/99/685346899.db2.gz	KEUDTXIIFZVUMI-PWSUYJOCSA-N	-1	0	311.345	0.850	20	30		DCEDRM
Cn1cc2c(n1)CCC[C@@H]2C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000798846676	685348037	/nfs/dbraw/zinc/34/80/37/685348037.db2.gz	ALHMCNLWDVMUND-JTQLQIEISA-N	-1	0	310.379	0.590	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)[C@H]1CCOC1	ZINC000850930893	685370684	/nfs/dbraw/zinc/37/06/84/685370684.db2.gz	ZJLNXXLGBIPJEL-VHSXEESVSA-N	-1	0	304.368	0.034	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)c1[O-]	ZINC001012582705	691819901	/nfs/dbraw/zinc/81/99/01/691819901.db2.gz	SRYUAVJSTFYFIE-BXKDBHETSA-N	-1	0	316.361	0.556	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)C#CC(C)(C)C	ZINC001570530450	1162536591	/nfs/dbraw/zinc/53/65/91/1162536591.db2.gz	LDMMOIBLZBBTQT-LBPRGKRZSA-N	-1	0	319.409	0.983	20	30		DCEDRM
COC[C@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)C(=O)OC	ZINC001414225124	1158236152	/nfs/dbraw/zinc/23/61/52/1158236152.db2.gz	BMPVZSJUHRUCPF-JTQLQIEISA-N	-1	0	318.376	0.227	20	30		DCEDRM
C#CCOCCC(=O)NCC1CN(C(=O)c2ncccc2O)C1	ZINC001745980753	1158237870	/nfs/dbraw/zinc/23/78/70/1158237870.db2.gz	NVLYBOAJKTVVNU-UHFFFAOYSA-N	-1	0	317.345	0.015	20	30		DCEDRM
Cc1cc(NCCNC(=O)c2[n-]c(=O)c(C#N)cc2C)n(C)n1	ZINC001626079918	1158693260	/nfs/dbraw/zinc/69/32/60/1158693260.db2.gz	PFNFNCGQEKYPNO-UHFFFAOYSA-N	-1	0	314.349	0.851	20	30		DCEDRM
C[C@H]1CCC[C@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001448311159	1159731167	/nfs/dbraw/zinc/73/11/67/1159731167.db2.gz	XUCQBUULPBTKQT-QWRGUYRKSA-N	-1	0	304.350	0.763	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N(CC(=O)[O-])C1CCOCC1	ZINC001604060829	1159787242	/nfs/dbraw/zinc/78/72/42/1159787242.db2.gz	OURGLOJXIINALA-SNVBAGLBSA-N	-1	0	319.383	0.031	20	30		DCEDRM
C=CC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001572285525	1163089450	/nfs/dbraw/zinc/08/94/50/1163089450.db2.gz	POZUDWAFBCMINL-MRVPVSSYSA-N	-1	0	323.353	0.072	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C(=O)[O-]	ZINC001573307038	1163412917	/nfs/dbraw/zinc/41/29/17/1163412917.db2.gz	GKRXUKQJMWWADR-SFYZADRCSA-N	-1	0	312.775	0.026	20	30		DCEDRM
C[C@@H](NC(=O)C1(C#N)CCSCC1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001573553086	1163494780	/nfs/dbraw/zinc/49/47/80/1163494780.db2.gz	KKNJTCIDIZHZLL-BDAKNGLRSA-N	-1	0	313.379	0.117	20	30		DCEDRM
C[C@@]1(C#N)CN(C(=O)Nc2cccn(CC(=O)[O-])c2=O)CCO1	ZINC001573589891	1163511049	/nfs/dbraw/zinc/51/10/49/1163511049.db2.gz	KKVXQSORJPXHTK-CQSZACIVSA-N	-1	0	320.305	0.079	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccncc1	ZINC001574112079	1163638361	/nfs/dbraw/zinc/63/83/61/1163638361.db2.gz	HSDAHQGNILREAS-OLZOCXBDSA-N	-1	0	314.301	0.506	20	30		DCEDRM
Cc1ncc(CC(=O)Nc2c(C(=O)[O-])cnn2CCC#N)o1	ZINC001574192468	1163657993	/nfs/dbraw/zinc/65/79/93/1163657993.db2.gz	RIXNSLMBMOAVSC-UHFFFAOYSA-N	-1	0	303.278	0.973	20	30		DCEDRM
N#C[C@@]1(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])CCCOC1	ZINC001574240973	1163672107	/nfs/dbraw/zinc/67/21/07/1163672107.db2.gz	CVJMGXOZPZOZJD-DOMZBBRYSA-N	-1	0	303.318	0.514	20	30		DCEDRM
N#Cc1cccc(C2(C(=O)NCc3nc(C(=O)[O-])n[nH]3)CC2)c1	ZINC001574249026	1163674782	/nfs/dbraw/zinc/67/47/82/1163674782.db2.gz	DSCMVBUDPAUKAP-UHFFFAOYSA-N	-1	0	311.301	0.723	20	30		DCEDRM
CC1(C)CC[C@@H](O)[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001575692374	1164106950	/nfs/dbraw/zinc/10/69/50/1164106950.db2.gz	DEHIPLNTXVQXHF-PSASIEDQSA-N	-1	0	314.353	0.880	20	30		DCEDRM
CCOC(=O)C[C@@H](C)Sc1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001578245574	1164963099	/nfs/dbraw/zinc/96/30/99/1164963099.db2.gz	XJKRAQXCOTYBOO-SSDOTTSWSA-N	-1	0	319.350	0.962	20	30		DCEDRM
Cc1noc([C@H]2CCCN2c2cnc(C#N)c(-c3nnn[n-]3)n2)n1	ZINC001581633906	1165855340	/nfs/dbraw/zinc/85/53/40/1165855340.db2.gz	NTVCPSZYNKAIKH-SECBINFHSA-N	-1	0	324.308	0.561	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1C[C@H]1CCC[C@]2(CCOC2)O1	ZINC001581860668	1165890919	/nfs/dbraw/zinc/89/09/19/1165890919.db2.gz	MNPHYWIFPIXOIB-QMTHXVAHSA-N	-1	0	315.337	0.663	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)CC[C@H]1CCCCO1	ZINC001581860644	1165891299	/nfs/dbraw/zinc/89/12/99/1165891299.db2.gz	LQWJTEZPJIGFGG-LLVKDONJSA-N	-1	0	315.337	0.853	20	30		DCEDRM
N#Cc1ncc(N2CC[C@H]3CSC[C@@H]3C2)nc1-c1nnn[n-]1	ZINC001581881898	1165902688	/nfs/dbraw/zinc/90/26/88/1165902688.db2.gz	DPYKOJBDUQHXJI-IUCAKERBSA-N	-1	0	314.378	0.718	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2Cc3ccccc3[C@H]2O)nc1-c1nnn[n-]1	ZINC001581884145	1165904103	/nfs/dbraw/zinc/90/41/03/1165904103.db2.gz	MPOJOTPNGKXKTC-QMTHXVAHSA-N	-1	0	320.316	0.599	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001582832190	1166105323	/nfs/dbraw/zinc/10/53/23/1166105323.db2.gz	JJAHMVZTSCDGRE-RFAUZJTJSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C#C[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C	ZINC001588326580	1166523430	/nfs/dbraw/zinc/52/34/30/1166523430.db2.gz	PVBSCSRCDRSNHC-MRVPVSSYSA-N	-1	0	314.349	0.655	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001588330713	1166526246	/nfs/dbraw/zinc/52/62/46/1166526246.db2.gz	CYTZIMJXKNPBLH-LLVKDONJSA-N	-1	0	315.333	0.731	20	30		DCEDRM
C#C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)[C@@H]1CCCO1	ZINC001588330231	1166527495	/nfs/dbraw/zinc/52/74/95/1166527495.db2.gz	XQAAPAXJKQVLIM-AAEUAGOBSA-N	-1	0	313.317	0.483	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-]	ZINC001588428742	1166553842	/nfs/dbraw/zinc/55/38/42/1166553842.db2.gz	ZQWLOFAYCFLFJU-MRVPVSSYSA-N	-1	0	322.264	0.855	20	30		DCEDRM
C#CCNC(=O)[C@H](C)N1CCOc2cc(C(=O)[O-])ccc2C1	ZINC001588479648	1166558293	/nfs/dbraw/zinc/55/82/93/1166558293.db2.gz	XTXDXRJYADTKKN-NSHDSACASA-N	-1	0	302.330	0.717	20	30		DCEDRM
C=CCN(C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)(C)C	ZINC001588626301	1166570556	/nfs/dbraw/zinc/57/05/56/1166570556.db2.gz	XEFYHLTVMXALHU-SECBINFHSA-N	-1	0	304.358	0.832	20	30		DCEDRM
C=CCn1cnnc1SCc1ncc(-c2nn[nH]n2)cn1	ZINC001588717303	1166581200	/nfs/dbraw/zinc/58/12/00/1166581200.db2.gz	YXPDIPUIXOKDNR-UHFFFAOYSA-N	-1	0	301.339	0.727	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)Nc1ccc(F)cc1-c1nn[nH]n1	ZINC001588737677	1166581855	/nfs/dbraw/zinc/58/18/55/1166581855.db2.gz	HLHDMCARSLZYAC-SNVBAGLBSA-N	-1	0	318.312	0.902	20	30		DCEDRM
CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCC#N	ZINC001589482345	1166660515	/nfs/dbraw/zinc/66/05/15/1166660515.db2.gz	CCVUOEOKOOJSJY-GFCCVEGCSA-N	-1	0	300.322	0.910	20	30		DCEDRM
C[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)[C@H]1CCCOC1	ZINC001589986990	1166739143	/nfs/dbraw/zinc/73/91/43/1166739143.db2.gz	AUKVSWZGQGQZAB-IUCAKERBSA-N	-1	0	300.326	0.755	20	30		DCEDRM
C[C@]1(O)CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001590150697	1166790878	/nfs/dbraw/zinc/79/08/78/1166790878.db2.gz	MCPXCKSRLSIWTD-ZDUSSCGKSA-N	-1	0	300.326	0.270	20	30		DCEDRM
CCN(Cc1ccccn1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590722239	1166982605	/nfs/dbraw/zinc/98/26/05/1166982605.db2.gz	UTWBGWOZHXEHKY-UHFFFAOYSA-N	-1	0	307.321	0.950	20	30		DCEDRM
CCN(Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2)[C@@H](C)C#N	ZINC001590722924	1166983210	/nfs/dbraw/zinc/98/32/10/1166983210.db2.gz	URRZAVBCWIRYKR-JTQLQIEISA-N	-1	0	313.365	0.709	20	30		DCEDRM
CCOC1(C)CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001590783498	1167019437	/nfs/dbraw/zinc/01/94/37/1167019437.db2.gz	AVEMVRQQMHTXTQ-UHFFFAOYSA-N	-1	0	314.353	0.924	20	30		DCEDRM
CCc1nnc(Sc2cnc(C#N)c(-c3nnn[n-]3)n2)o1	ZINC001590934032	1167053355	/nfs/dbraw/zinc/05/33/55/1167053355.db2.gz	RNGJHDODVASIEO-UHFFFAOYSA-N	-1	0	301.295	0.625	20	30		DCEDRM
CCc1onc(C)c1CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590938455	1167055573	/nfs/dbraw/zinc/05/55/73/1167055573.db2.gz	ZLQBHWHMQBNPTR-UHFFFAOYSA-N	-1	0	311.309	0.999	20	30		DCEDRM
CN([C@H]1CCC[C@@H]1C#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001591037558	1167090551	/nfs/dbraw/zinc/09/05/51/1167090551.db2.gz	XVUKRYIKZRWJRT-BDAKNGLRSA-N	-1	0	322.350	0.772	20	30		DCEDRM
COC(=O)c1cccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)c1	ZINC001591302151	1167206820	/nfs/dbraw/zinc/20/68/20/1167206820.db2.gz	BSLOWMMFOWARFR-UHFFFAOYSA-N	-1	0	324.304	0.352	20	30		DCEDRM
CO[C@@](C)(C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)C1CC1	ZINC001591314142	1167210780	/nfs/dbraw/zinc/21/07/80/1167210780.db2.gz	HTOTWRGHVDEWDM-GFCCVEGCSA-N	-1	0	302.298	0.215	20	30		DCEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c(C)nn1	ZINC001591933952	1167420282	/nfs/dbraw/zinc/42/02/82/1167420282.db2.gz	DVPLKCZABVXJGP-UHFFFAOYSA-N	-1	0	310.281	0.121	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1cn(C)nc1C(F)F	ZINC001592335985	1167493568	/nfs/dbraw/zinc/49/35/68/1167493568.db2.gz	PJYRSTYIAVJIHX-UHFFFAOYSA-N	-1	0	319.279	0.963	20	30		DCEDRM
Cc1oc(-c2nn[nH]n2)cc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001592494728	1167536794	/nfs/dbraw/zinc/53/67/94/1167536794.db2.gz	CABMJLRHXZSCEX-SNVBAGLBSA-N	-1	0	314.305	0.713	20	30		DCEDRM
N#CC1(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)o2)CCC1	ZINC001592670665	1167594451	/nfs/dbraw/zinc/59/44/51/1167594451.db2.gz	KCRKDZFYBMYVDM-UHFFFAOYSA-N	-1	0	316.277	0.179	20	30		DCEDRM
N#Cc1nc(NC(=O)c2n[nH]c3ccccc32)[n-]c1-c1nn[nH]n1	ZINC001592682335	1167600336	/nfs/dbraw/zinc/60/03/36/1167600336.db2.gz	WUOPBIMXQTVXBO-UHFFFAOYSA-N	-1	0	320.276	0.590	20	30		DCEDRM
CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])[C@@H](C)O	ZINC001595311566	1167970214	/nfs/dbraw/zinc/97/02/14/1167970214.db2.gz	QLOCIMUXLPQRFC-LDYMZIIASA-N	-1	0	312.347	0.694	20	30		DCEDRM
C=C(CO)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O	ZINC001597371079	1168006503	/nfs/dbraw/zinc/00/65/03/1168006503.db2.gz	QTAGICSBJXGPQX-UHFFFAOYSA-N	-1	0	312.347	0.320	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001600327645	1168164741	/nfs/dbraw/zinc/16/47/41/1168164741.db2.gz	NIAVZUXZCGQCOW-CYBMUJFWSA-N	-1	0	315.329	0.672	20	30		DCEDRM
Cc1ccc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c(C#N)c1	ZINC001600480977	1168190997	/nfs/dbraw/zinc/19/09/97/1168190997.db2.gz	AZOOJPRGZVGERA-ZWNOBZJWSA-N	-1	0	324.358	0.635	20	30		DCEDRM
Cc1ccn2c(c1)ncc(C(=O)N(CC#N)CCC(=O)[O-])c2=O	ZINC001600597662	1168208486	/nfs/dbraw/zinc/20/84/86/1168208486.db2.gz	FRIHRWLIARVDJG-UHFFFAOYSA-N	-1	0	314.301	0.443	20	30		DCEDRM
Cc1nc(N(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])ccc1C#N	ZINC001600709072	1168260054	/nfs/dbraw/zinc/26/00/54/1168260054.db2.gz	WOVPRVYODQVMIJ-NEPJUHHUSA-N	-1	0	302.334	0.535	20	30		DCEDRM
Cc1nsc(N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)c1C#N	ZINC001600820129	1168476554	/nfs/dbraw/zinc/47/65/54/1168476554.db2.gz	YAJBPFPAIXSNNO-UHFFFAOYSA-N	-1	0	320.374	0.837	20	30		DCEDRM
Cn1nc2c(c1CN1CCC(C#N)(C(=O)[O-])CC1)COCC2	ZINC001601018091	1168565744	/nfs/dbraw/zinc/56/57/44/1168565744.db2.gz	YVDPAJBOCLIRAJ-UHFFFAOYSA-N	-1	0	304.350	0.683	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)COCc2ccccn2)CC1	ZINC001601051502	1168577565	/nfs/dbraw/zinc/57/75/65/1168577565.db2.gz	QIPUDBVCTUSGEE-UHFFFAOYSA-N	-1	0	303.318	0.815	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1	ZINC001601053028	1168578072	/nfs/dbraw/zinc/57/80/72/1168578072.db2.gz	KTZKWORPNYHVBP-UHFFFAOYSA-N	-1	0	316.317	0.890	20	30		DCEDRM
N#CC1(CNC(=O)Nc2ccc(C(=O)[O-])nn2)CCOCC1	ZINC001601056641	1168578560	/nfs/dbraw/zinc/57/85/60/1168578560.db2.gz	SFQZMSSHGHMWBD-UHFFFAOYSA-N	-1	0	305.294	0.617	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)c2cccnc2C(N)=O)CC1	ZINC001601053149	1168578637	/nfs/dbraw/zinc/57/86/37/1168578637.db2.gz	QNANKEBJCHPJET-UHFFFAOYSA-N	-1	0	302.290	0.011	20	30		DCEDRM
N#CC1CN(C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)C1	ZINC001601061361	1168578820	/nfs/dbraw/zinc/57/88/20/1168578820.db2.gz	WYYWREXNRLLJBH-UHFFFAOYSA-N	-1	0	316.317	0.878	20	30		DCEDRM
N#CCC(=O)N1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001601060805	1168578900	/nfs/dbraw/zinc/57/89/00/1168578900.db2.gz	MZNUTIOJBRJMKO-UHFFFAOYSA-N	-1	0	319.277	0.250	20	30		DCEDRM
N#CCCCS(=O)(=O)Cc1noc(CCCC(=O)[O-])n1	ZINC001601065587	1168579564	/nfs/dbraw/zinc/57/95/64/1168579564.db2.gz	OPXAPDOXMQCJFJ-UHFFFAOYSA-N	-1	0	301.324	0.695	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1	ZINC001601064490	1168579689	/nfs/dbraw/zinc/57/96/89/1168579689.db2.gz	YWFPEALUMIHJTC-YPMHNXCESA-N	-1	0	321.377	0.756	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1	ZINC001601064086	1168579787	/nfs/dbraw/zinc/57/97/87/1168579787.db2.gz	KFMOFXGFCZCWMB-PWSUYJOCSA-N	-1	0	305.334	0.428	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@H](n1ccnc1)C(F)(F)F	ZINC001601069356	1168580434	/nfs/dbraw/zinc/58/04/34/1168580434.db2.gz	JOIKXWKKSVMGPC-QMMMGPOBSA-N	-1	0	304.228	0.813	20	30		DCEDRM
N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])n1	ZINC001601068915	1168580759	/nfs/dbraw/zinc/58/07/59/1168580759.db2.gz	XHBMYVHNCNSZSI-SNVBAGLBSA-N	-1	0	319.321	0.201	20	30		DCEDRM
N#CCN(CCC(=O)[O-])CC(=O)NC(=O)NCc1ccccc1	ZINC001601072002	1168581159	/nfs/dbraw/zinc/58/11/59/1168581159.db2.gz	MIKYRFPSRUZTNZ-UHFFFAOYSA-N	-1	0	318.333	0.313	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2CCOC[C@H]2CC(=O)[O-])cc1	ZINC001601073836	1168581666	/nfs/dbraw/zinc/58/16/66/1168581666.db2.gz	PCUMZQRHRCCOIK-CYBMUJFWSA-N	-1	0	318.329	0.834	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1cc(Cl)cnc1N	ZINC001601073429	1168581687	/nfs/dbraw/zinc/58/16/87/1168581687.db2.gz	UVJNSKDGJBIETN-UHFFFAOYSA-N	-1	0	318.742	0.306	20	30		DCEDRM
N#CCN(CCC(=O)[O-])[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC001601072689	1168581848	/nfs/dbraw/zinc/58/18/48/1168581848.db2.gz	ZXKHZWAYAXACAX-CQSZACIVSA-N	-1	0	312.329	0.964	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)Cn2cc(C(=O)[O-])cn2)cc1	ZINC001601073735	1168581955	/nfs/dbraw/zinc/58/19/55/1168581955.db2.gz	KWSULGUPSZXZQR-UHFFFAOYSA-N	-1	0	314.301	0.800	20	30		DCEDRM
N#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001601074492	1168582627	/nfs/dbraw/zinc/58/26/27/1168582627.db2.gz	AVARPNOBGGXCCJ-ZIAGYGMSSA-N	-1	0	301.346	0.849	20	30		DCEDRM
N#CCc1cccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1	ZINC001601078014	1168582721	/nfs/dbraw/zinc/58/27/21/1168582721.db2.gz	NCPZTNHANFCWSY-KOLCDFICSA-N	-1	0	304.306	0.447	20	30		DCEDRM
N#Cc1cc(Br)ccc1C(=O)N[C@@H](CO)C(=O)[O-]	ZINC001601085105	1168583371	/nfs/dbraw/zinc/58/33/71/1168583371.db2.gz	NAOSOWRADXCZRV-VIFPVBQESA-N	-1	0	313.107	0.496	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])nc1	ZINC001601108097	1168586083	/nfs/dbraw/zinc/58/60/83/1168586083.db2.gz	AZCVKGIOKZDSDY-ABAIWWIYSA-N	-1	0	300.318	0.831	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@H](C(=O)[O-])c2cccnc2)nc1	ZINC001601108374	1168586127	/nfs/dbraw/zinc/58/61/27/1168586127.db2.gz	NAHIIUGLQAXBDA-AWEZNQCLSA-N	-1	0	311.301	0.702	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCN2CCC2)c(C(=O)[O-])c1	ZINC001601111494	1168586728	/nfs/dbraw/zinc/58/67/28/1168586728.db2.gz	GDXODUZCPMOYEH-UHFFFAOYSA-N	-1	0	309.347	0.240	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC=C[C@@H]2CO)c(C(=O)[O-])c1	ZINC001601111331	1168586853	/nfs/dbraw/zinc/58/68/53/1168586853.db2.gz	XGOCIQXRBAWIBR-SNVBAGLBSA-N	-1	0	308.315	0.178	20	30		DCEDRM
N#Cc1ccncc1C(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001601128096	1168589965	/nfs/dbraw/zinc/58/99/65/1168589965.db2.gz	AFWKAEFJQJVSIJ-LLVKDONJSA-N	-1	0	305.290	0.289	20	30		DCEDRM
N#Cc1cnn(CCn2cc(CN3CCC[C@H]3C(=O)[O-])nn2)c1	ZINC001601131368	1168591505	/nfs/dbraw/zinc/59/15/05/1168591505.db2.gz	YDWSTMQISZBIFL-ZDUSSCGKSA-N	-1	0	315.337	0.095	20	30		DCEDRM
N#Cc1cncnc1NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC001601131541	1168591672	/nfs/dbraw/zinc/59/16/72/1168591672.db2.gz	DUZMSSVFEOVTOD-GFCCVEGCSA-N	-1	0	302.265	0.853	20	30		DCEDRM
N#Cc1nccnc1NC/C=C\CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001601134907	1168592816	/nfs/dbraw/zinc/59/28/16/1168592816.db2.gz	BTIYUQNCDWHDJS-SZXTZRQCSA-N	-1	0	301.306	0.153	20	30		DCEDRM
N#Cc1nnc2ccccc2c1NCCn1cc(C(=O)[O-])nn1	ZINC001601136664	1168594825	/nfs/dbraw/zinc/59/48/25/1168594825.db2.gz	YRZKXHPZECTQOA-UHFFFAOYSA-N	-1	0	309.289	0.903	20	30		DCEDRM
O=C([O-])[C@H]1COCCN1C(=O)C(=O)/C=C/c1ccc(F)cc1	ZINC001601238977	1168672246	/nfs/dbraw/zinc/67/22/46/1168672246.db2.gz	PYXNWPRFOILURA-MJRJWQSSSA-N	-1	0	307.277	0.720	20	30		DCEDRM
O=C([O-])c1ccc2cc(CCNC(=O)NCC#CCO)oc2c1	ZINC001601446870	1168749890	/nfs/dbraw/zinc/74/98/90/1168749890.db2.gz	RRKDZMDZPFMNJX-UHFFFAOYSA-N	-1	0	316.313	0.968	20	30		DCEDRM
O=C([O-])Cn1cccc1C=NNC(=S)NC[C@@H]1CCCO1	ZINC001602166379	1169011670	/nfs/dbraw/zinc/01/16/70/1169011670.db2.gz	QOLOCXAVKMZLKX-NSHDSACASA-N	-1	0	310.379	0.550	20	30		DCEDRM
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1cccc(C#CCO)c1	ZINC001602170947	1169012896	/nfs/dbraw/zinc/01/28/96/1169012896.db2.gz	GFYQKPTVWCCKHE-LBPRGKRZSA-N	-1	0	309.268	0.965	20	30		DCEDRM
O=C([O-])c1cc(C=NNS(=O)(=O)Cc2ccccc2)on1	ZINC001602254653	1169043441	/nfs/dbraw/zinc/04/34/41/1169043441.db2.gz	IEFVSXHRTRKLRL-UHFFFAOYSA-N	-1	0	309.303	0.826	20	30		DCEDRM
O=C([O-])c1cc(CN=Nc2nccc(N3CCOCC3)n2)on1	ZINC001602257713	1169044859	/nfs/dbraw/zinc/04/48/59/1169044859.db2.gz	ZFWOHPJTWUGPFV-UHFFFAOYSA-N	-1	0	318.293	0.445	20	30		DCEDRM
C#C[C@H](NCC(=O)Nc1cccc(C(=O)[O-])n1)[C@@H]1CCCO1	ZINC001602678245	1169157277	/nfs/dbraw/zinc/15/72/77/1169157277.db2.gz	KVXIDSODFXXWAF-JQWIXIFHSA-N	-1	0	303.318	0.489	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)[O-]	ZINC001602693298	1169161726	/nfs/dbraw/zinc/16/17/26/1169161726.db2.gz	ONONMHFCRMUUTJ-CQSZACIVSA-N	-1	0	308.297	0.950	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)[O-]	ZINC001602698513	1169164505	/nfs/dbraw/zinc/16/45/05/1169164505.db2.gz	JMUDVROGMPMXJH-ZDUSSCGKSA-N	-1	0	306.343	0.649	20	30		DCEDRM
C#CCN(C(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-])C1CC1	ZINC001602711905	1169168049	/nfs/dbraw/zinc/16/80/49/1169168049.db2.gz	ZWWKENXYKQXTAA-UHFFFAOYSA-N	-1	0	316.313	0.956	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC/C=C\CNc1ncc(C(=O)[O-])cn1	ZINC001602727013	1169174743	/nfs/dbraw/zinc/17/47/43/1169174743.db2.gz	ZDCDOZQQKBQEEP-WYGGZMRJSA-N	-1	0	318.333	0.297	20	30		DCEDRM
C#CCn1cc(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1	ZINC001602738082	1169176743	/nfs/dbraw/zinc/17/67/43/1169176743.db2.gz	IMDUTMBRFQDFTO-UHFFFAOYSA-N	-1	0	308.319	0.021	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001602746497	1169178341	/nfs/dbraw/zinc/17/83/41/1169178341.db2.gz	CMGQLCMOLKQAHG-NDBYEHHHSA-N	-1	0	324.377	0.405	20	30		DCEDRM
C=C(C)Cn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1C(C)(C)C#N	ZINC001602771216	1169182600	/nfs/dbraw/zinc/18/26/00/1169182600.db2.gz	OPDXZDOEHIYQKY-NSHDSACASA-N	-1	0	319.365	0.945	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)CCCNc1ncc(C(=O)[O-])cn1	ZINC001602809759	1169185707	/nfs/dbraw/zinc/18/57/07/1169185707.db2.gz	LGKNKFPRWMBPBB-OAHLLOKOSA-N	-1	0	322.365	0.762	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@]1(C)CCCS1(=O)=O)C(=O)[O-]	ZINC001602862449	1169193811	/nfs/dbraw/zinc/19/38/11/1169193811.db2.gz	FIAILEPCIRMEPV-GXFFZTMASA-N	-1	0	303.380	0.879	20	30		DCEDRM
C=CCCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCOCC1	ZINC001602855882	1169194145	/nfs/dbraw/zinc/19/41/45/1169194145.db2.gz	HAEXKYLKVYQLHB-VXGBXAGGSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCOCCCNS(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001602869145	1169195732	/nfs/dbraw/zinc/19/57/32/1169195732.db2.gz	BDKRKKNQXJANBL-UHFFFAOYSA-N	-1	0	324.366	0.133	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)C(=O)[O-]	ZINC001602872828	1169196420	/nfs/dbraw/zinc/19/64/20/1169196420.db2.gz	WPOCSHDJYHNMQN-LLVKDONJSA-N	-1	0	316.321	0.801	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)CCc1nc(N(C)C)no1)C(=O)[O-]	ZINC001602865515	1169197092	/nfs/dbraw/zinc/19/70/92/1169197092.db2.gz	LOPOVLOATLXPMZ-SNVBAGLBSA-N	-1	0	310.354	0.994	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C)c(-c2nn[nH]n2)c1	ZINC001602870449	1169197121	/nfs/dbraw/zinc/19/71/21/1169197121.db2.gz	MTUMYOKQJCJNHE-UHFFFAOYSA-N	-1	0	307.335	0.421	20	30		DCEDRM
C=CCN1CC[C@H](N2CC[C@H](C(=O)[O-])C[C@@H]2C(=O)OC)C1=O	ZINC001602898515	1169199452	/nfs/dbraw/zinc/19/94/52/1169199452.db2.gz	VIROGGGYYWEMKN-SDDRHHMPSA-N	-1	0	310.350	0.112	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1cn2cc(F)ccc2n1)C(=O)[O-]	ZINC001602908810	1169201899	/nfs/dbraw/zinc/20/18/99/1169201899.db2.gz	GEAREHFCNVBJEJ-LBPRGKRZSA-N	-1	0	321.308	0.788	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c(CC)ncnc1CC)C(=O)[O-]	ZINC001602909112	1169202704	/nfs/dbraw/zinc/20/27/04/1169202704.db2.gz	NXXATLXGRGLMCE-LBPRGKRZSA-N	-1	0	307.350	0.987	20	30		DCEDRM
C=CCOC[C@@H](NCc1ccc(S(N)(=O)=O)s1)C(=O)[O-]	ZINC001602914761	1169205019	/nfs/dbraw/zinc/20/50/19/1169205019.db2.gz	CIMTZCLHQMGZDB-SECBINFHSA-N	-1	0	320.392	0.141	20	30		DCEDRM
C=CCOCc1nnc(N2CC[C@@](C)(C(=O)[O-])C2)n1CCOC	ZINC001602920704	1169206866	/nfs/dbraw/zinc/20/68/66/1169206866.db2.gz	SFLLJMBDMKMILU-OAHLLOKOSA-N	-1	0	324.381	0.928	20	30		DCEDRM
C=CCn1c([C@@H](O)CC)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001602932100	1169210256	/nfs/dbraw/zinc/21/02/56/1169210256.db2.gz	JRECUZQAKYYWLK-QWRGUYRKSA-N	-1	0	310.354	0.587	20	30		DCEDRM
C=CCn1cc(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)nn1	ZINC001602938159	1169212813	/nfs/dbraw/zinc/21/28/13/1169212813.db2.gz	WKFJSIYSEPYLTQ-CMPLNLGQSA-N	-1	0	308.338	0.350	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC001602946391	1169218877	/nfs/dbraw/zinc/21/88/77/1169218877.db2.gz	WFXXDNMYTLHCBN-GFCCVEGCSA-N	-1	0	311.359	0.746	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)c2ccnc(C(=O)[O-])n2)C1	ZINC001603129524	1169250152	/nfs/dbraw/zinc/25/01/52/1169250152.db2.gz	JQIBFJOOULZTMQ-VHSXEESVSA-N	-1	0	303.322	0.372	20	30		DCEDRM
C[C@H](C#N)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC001603131913	1169250698	/nfs/dbraw/zinc/25/06/98/1169250698.db2.gz	OMAYIHJRCKHJAX-SSDOTTSWSA-N	-1	0	313.291	0.826	20	30		DCEDRM
CC(C)(C(=O)[O-])n1ccc(NC(=O)N2CCN(CC#N)CC2)n1	ZINC001603289257	1169286741	/nfs/dbraw/zinc/28/67/41/1169286741.db2.gz	RQJYGPFVZXPYQO-UHFFFAOYSA-N	-1	0	320.353	0.376	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001603295632	1169289569	/nfs/dbraw/zinc/28/95/69/1169289569.db2.gz	HKALGYJPHMYQJP-LBPRGKRZSA-N	-1	0	316.361	0.919	20	30		DCEDRM
CC(C)(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001603302866	1169291414	/nfs/dbraw/zinc/29/14/14/1169291414.db2.gz	NLGURGPUXWJDEN-ZUZCIYMTSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CC1(C)CC[C@H](CNc2cnc(C#N)c(-c3nnn[n-]3)n2)O1	ZINC001603773288	1169386024	/nfs/dbraw/zinc/38/60/24/1169386024.db2.gz	XWXBJOHGKZEKOY-MRVPVSSYSA-N	-1	0	300.326	0.898	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1cc(C#N)cs1)C(=O)[O-]	ZINC001603841115	1169409480	/nfs/dbraw/zinc/40/94/80/1169409480.db2.gz	YTERNKPXJDLJTH-JTQLQIEISA-N	-1	0	323.374	0.965	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(C(=O)[O-])cn1	ZINC001604059179	1169482555	/nfs/dbraw/zinc/48/25/55/1169482555.db2.gz	BDRAYUPFJWFDBA-SECBINFHSA-N	-1	0	312.351	0.348	20	30		DCEDRM
CC[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@@H](CC)O1	ZINC001604112128	1169495968	/nfs/dbraw/zinc/49/59/68/1169495968.db2.gz	QPAMMMYWSSNYCV-NXEZZACHSA-N	-1	0	314.353	0.922	20	30		DCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)C(=O)[O-]	ZINC001604391902	1169581441	/nfs/dbraw/zinc/58/14/41/1169581441.db2.gz	FNUNNKDJRHUEAR-RMLUDKJBSA-N	-1	0	313.306	0.833	20	30		DCEDRM
CC1(C)CCCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)[C@@H]1C#N	ZINC001604536340	1169610715	/nfs/dbraw/zinc/61/07/15/1169610715.db2.gz	WQTSAEATYQSUOZ-VXGBXAGGSA-N	-1	0	321.377	0.850	20	30		DCEDRM
C[C@H]1COCCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001604820598	1169696200	/nfs/dbraw/zinc/69/62/00/1169696200.db2.gz	TYLNLNFQMRSPJN-SNVBAGLBSA-N	-1	0	324.358	0.913	20	30		DCEDRM
C[C@H]1OC(=O)N[C@H]1C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001604830512	1169700528	/nfs/dbraw/zinc/70/05/28/1169700528.db2.gz	BKWVMZKBXHZTMU-RDDDGLTNSA-N	-1	0	304.258	0.797	20	30		DCEDRM
COC(=O)c1coc(CN=Nc2oc(C)nc2-c2nnn[n-]2)c1	ZINC001604990356	1169771662	/nfs/dbraw/zinc/77/16/62/1169771662.db2.gz	RABSKVXEBRLOFW-UHFFFAOYSA-N	-1	0	317.265	0.989	20	30		DCEDRM
COC[C@@](C)(C#N)NC(=O)c1cc(-c2nn[nH]n2)ccc1C	ZINC001605041597	1169791832	/nfs/dbraw/zinc/79/18/32/1169791832.db2.gz	DTHKNAMBFVHOQW-CQSZACIVSA-N	-1	0	300.322	0.834	20	30		DCEDRM
COc1ncccc1CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001605350608	1169901348	/nfs/dbraw/zinc/90/13/48/1169901348.db2.gz	HUZITGJJAXJKEP-UHFFFAOYSA-N	-1	0	309.293	0.544	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(C#N)nn1	ZINC001605448502	1169924309	/nfs/dbraw/zinc/92/43/09/1169924309.db2.gz	DEJUWYMMPYFWRK-QWRGUYRKSA-N	-1	0	303.322	0.011	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N(C)CC(C)(C)C#N	ZINC001605505199	1169941401	/nfs/dbraw/zinc/94/14/01/1169941401.db2.gz	XGEHSEQZFVUGNK-UHFFFAOYSA-N	-1	0	315.337	0.898	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N(C)C[C@@H](C)C#N	ZINC001605505065	1169941861	/nfs/dbraw/zinc/94/18/61/1169941861.db2.gz	VUCLWJFHYMFBFY-ZETCQYMHSA-N	-1	0	301.310	0.507	20	30		DCEDRM
Cc1cc(C(=O)Nc2ccncc2-c2nn[nH]n2)ncc1C#N	ZINC001605628185	1169977107	/nfs/dbraw/zinc/97/71/07/1169977107.db2.gz	VXPUJZGXZGPVAJ-UHFFFAOYSA-N	-1	0	306.289	0.511	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1nnc(-c2ccco2)o1	ZINC001606018652	1170050876	/nfs/dbraw/zinc/05/08/76/1170050876.db2.gz	ZZXOWAUXOATYQQ-UHFFFAOYSA-N	-1	0	323.276	0.935	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)c1	ZINC001606043497	1170063956	/nfs/dbraw/zinc/06/39/56/1170063956.db2.gz	KRZQHSOLPYROBS-UHFFFAOYSA-N	-1	0	317.345	0.676	20	30		DCEDRM
CN1C(=O)CC[C@@H]1C(=O)OCC#Cc1cccc(C(=O)[O-])c1	ZINC001606184873	1170106455	/nfs/dbraw/zinc/10/64/55/1170106455.db2.gz	JPELWVVQQVHFNA-CYBMUJFWSA-N	-1	0	301.298	0.900	20	30		DCEDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)CC2(C#N)CCCCC2)CC1=O	ZINC001606198763	1170109496	/nfs/dbraw/zinc/10/94/96/1170109496.db2.gz	ZUBZJYYPPYXJBK-NSHDSACASA-N	-1	0	307.350	0.604	20	30		DCEDRM
N#CCC1(CS(=O)(=O)Oc2cccnc2-c2nnn[n-]2)CC1	ZINC001606346671	1170165313	/nfs/dbraw/zinc/16/53/13/1170165313.db2.gz	XDRNUTSGWPRFDZ-UHFFFAOYSA-N	-1	0	320.334	0.664	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CCOc1ccc(C#N)cc1	ZINC001606379442	1170175666	/nfs/dbraw/zinc/17/56/66/1170175666.db2.gz	XPKNSEPRMRXXMU-UHFFFAOYSA-N	-1	0	321.304	0.468	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2cc(C#N)cs2)C[C@H]1C(=O)[O-]	ZINC001606420559	1170193777	/nfs/dbraw/zinc/19/37/77/1170193777.db2.gz	IPZXDJQYIWJCCO-BDAKNGLRSA-N	-1	0	308.315	0.566	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)Cc1ccc(C#N)nc1	ZINC001606505226	1170221884	/nfs/dbraw/zinc/22/18/84/1170221884.db2.gz	MFXKNYFJAWNHIM-LLVKDONJSA-N	-1	0	305.290	0.018	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)[C@H](C(=O)[O-])C1	ZINC001606751770	1170278238	/nfs/dbraw/zinc/27/82/38/1170278238.db2.gz	ZSHSGQJNHGDHFH-OLZOCXBDSA-N	-1	0	304.302	0.968	20	30		DCEDRM
COC[C@@H](C)NC(=S)NN=Cc1cccn1[C@H](C)C(=O)[O-]	ZINC001606798884	1170292679	/nfs/dbraw/zinc/29/26/79/1170292679.db2.gz	WMPPSSVJNQKNOX-NXEZZACHSA-N	-1	0	312.395	0.967	20	30		DCEDRM
COC[C@@H](CCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)OC	ZINC001606799497	1170294649	/nfs/dbraw/zinc/29/46/49/1170294649.db2.gz	HQBARZXALXLBSK-LLVKDONJSA-N	-1	0	313.354	0.438	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1	ZINC001606995978	1170347839	/nfs/dbraw/zinc/34/78/39/1170347839.db2.gz	IUGMVOLJPYOWFV-OLZOCXBDSA-N	-1	0	306.318	0.575	20	30		DCEDRM
COc1cc(CS(=O)(=O)N(CC#N)CCC(=O)[O-])sn1	ZINC001607165758	1170411941	/nfs/dbraw/zinc/41/19/41/1170411941.db2.gz	RDRPQVPZMCTEPB-UHFFFAOYSA-N	-1	0	319.364	0.282	20	30		DCEDRM
COc1cc(OC)nc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001607186221	1170413309	/nfs/dbraw/zinc/41/33/09/1170413309.db2.gz	QXTFDPTYVWRAAR-UHFFFAOYSA-N	-1	0	320.305	0.324	20	30		DCEDRM
Cc1c(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)cnn1CCC#N	ZINC001607506126	1170469613	/nfs/dbraw/zinc/46/96/13/1170469613.db2.gz	MTYAOAZYHTZQIR-CABZTGNLSA-N	-1	0	306.322	0.419	20	30		DCEDRM
Cc1cc(CNC(=O)[C@@H](C)n2cnc(C#N)n2)oc1C(=O)[O-]	ZINC001607643448	1170488229	/nfs/dbraw/zinc/48/82/29/1170488229.db2.gz	OLBSDMBLDJKVHS-MRVPVSSYSA-N	-1	0	303.278	0.627	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@](O)(CC#N)C1	ZINC001607746638	1170502996	/nfs/dbraw/zinc/50/29/96/1170502996.db2.gz	NWXDRDCDBWIPOS-AWEZNQCLSA-N	-1	0	324.358	0.732	20	30		DCEDRM
Cc1cccc(S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-])c1C#N	ZINC001607862048	1170514801	/nfs/dbraw/zinc/51/48/01/1170514801.db2.gz	LXZMMSKHRFPKEQ-LLVKDONJSA-N	-1	0	312.347	0.369	20	30		DCEDRM
Cn1nc(C(=O)N(CC#N)CC(=O)[O-])cc1Br	ZINC001608140008	1170591063	/nfs/dbraw/zinc/59/10/63/1170591063.db2.gz	LNDBLKLBCJVMJD-UHFFFAOYSA-N	-1	0	301.100	0.233	20	30		DCEDRM
Cn1ncc(C(=O)[O-])c1NC(=O)NCC#C[C@H]1CCCCO1	ZINC001608154995	1170599342	/nfs/dbraw/zinc/59/93/42/1170599342.db2.gz	ACECBWPMIKXLME-SNVBAGLBSA-N	-1	0	306.322	0.812	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCN(CC(=O)[O-])CC2)CCCC1	ZINC001608176149	1170609185	/nfs/dbraw/zinc/60/91/85/1170609185.db2.gz	VJFLJQNBFJNMHS-UHFFFAOYSA-N	-1	0	315.395	0.102	20	30		DCEDRM
N#CC1(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	ZINC001608175702	1170609404	/nfs/dbraw/zinc/60/94/04/1170609404.db2.gz	MGUHNSHPWHWCLK-UHFFFAOYSA-N	-1	0	314.285	0.959	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CCN1C1CC1	ZINC001608180155	1170610572	/nfs/dbraw/zinc/61/05/72/1170610572.db2.gz	VJEYATAGBLPESH-HZSPNIEDSA-N	-1	0	321.377	0.598	20	30		DCEDRM
N#C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1	ZINC001608178383	1170610727	/nfs/dbraw/zinc/61/07/27/1170610727.db2.gz	JYYKGRZLHYEWCE-CLPYTZEMSA-N	-1	0	319.361	0.364	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)Cc1cn2cc(F)ccc2n1	ZINC001608185429	1170611318	/nfs/dbraw/zinc/61/13/18/1170611318.db2.gz	QPMUMEKKPLMLKV-UHFFFAOYSA-N	-1	0	304.281	0.843	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CCc1nc2cccnc2[nH]1	ZINC001608185113	1170611419	/nfs/dbraw/zinc/61/14/19/1170611419.db2.gz	CIQSLGIQACRUMR-UHFFFAOYSA-N	-1	0	301.306	0.717	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001608187059	1170612733	/nfs/dbraw/zinc/61/27/33/1170612733.db2.gz	KZRFXYAZJRLQEG-NSHDSACASA-N	-1	0	320.301	0.535	20	30		DCEDRM
N#Cc1cc(NCC(=O)NCC(=O)[O-])ncc1Br	ZINC001608197679	1170614184	/nfs/dbraw/zinc/61/41/84/1170614184.db2.gz	NEPLHOYFJYPQRV-UHFFFAOYSA-N	-1	0	313.111	0.328	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)nc1	ZINC001608205961	1170614650	/nfs/dbraw/zinc/61/46/50/1170614650.db2.gz	OWXXAIFWROFPJD-JTQLQIEISA-N	-1	0	300.274	0.181	20	30		DCEDRM
N#Cc1ccc(CN2C(=O)N[C@H](CCC(=O)[O-])C2=O)c(F)c1	ZINC001608204541	1170614762	/nfs/dbraw/zinc/61/47/62/1170614762.db2.gz	KBIPYUUULVFCSX-LLVKDONJSA-N	-1	0	305.265	0.983	20	30		DCEDRM
N#Cc1ccc(CCC(=O)N[C@H](Cn2cncn2)C(=O)[O-])cc1	ZINC001608205127	1170614771	/nfs/dbraw/zinc/61/47/71/1170614771.db2.gz	WLALDWPSTYCYMP-CYBMUJFWSA-N	-1	0	313.317	0.352	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])cc1	ZINC001608201626	1170614803	/nfs/dbraw/zinc/61/48/03/1170614803.db2.gz	FNVLUEOANCJVBY-MJBXVCDLSA-N	-1	0	318.329	0.730	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])c(F)c1	ZINC001608206014	1170615074	/nfs/dbraw/zinc/61/50/74/1170615074.db2.gz	PSBFREMCJFJYRZ-PWSUYJOCSA-N	-1	0	312.322	0.980	20	30		DCEDRM
N#Cc1ccc(O[C@H]2CCN(Cn3cc(C(=O)[O-])nn3)C2)nc1	ZINC001608209603	1170615636	/nfs/dbraw/zinc/61/56/36/1170615636.db2.gz	UMJLLZYCORLIBZ-NSHDSACASA-N	-1	0	314.305	0.354	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC(CF)CF)c(C(=O)[O-])c1	ZINC001608211016	1170616283	/nfs/dbraw/zinc/61/62/83/1170616283.db2.gz	XRPLCSNLKKYPPD-UHFFFAOYSA-N	-1	0	304.274	0.842	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)c1	ZINC001608218430	1170617234	/nfs/dbraw/zinc/61/72/34/1170617234.db2.gz	OADQFEXVRVIPQC-UHFFFAOYSA-N	-1	0	310.331	0.062	20	30		DCEDRM
N#Cc1cccc(OCC(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)c1	ZINC001608217936	1170617619	/nfs/dbraw/zinc/61/76/19/1170617619.db2.gz	AIYYTOPDZKDRBZ-GXTWGEPZSA-N	-1	0	318.329	0.791	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCC([C@H]2COC(=O)N2)CC1	ZINC001608223829	1170619787	/nfs/dbraw/zinc/61/97/87/1170619787.db2.gz	KUAWVTJLHGDKGH-GFCCVEGCSA-N	-1	0	316.317	0.976	20	30		DCEDRM
O=C([O-])CC1CC(=NNC(=S)NCCN2CCOCC2)C1	ZINC001608690773	1170737589	/nfs/dbraw/zinc/73/75/89/1170737589.db2.gz	ZDAJDWQTSMXNMP-UHFFFAOYSA-N	-1	0	314.411	0.023	20	30		DCEDRM
O=C([O-])Cc1cccc(NC(=O)N[C@@H]2CCCN(O)C2=O)n1	ZINC001608785969	1170754290	/nfs/dbraw/zinc/75/42/90/1170754290.db2.gz	PRQDGLHTMISLDK-SECBINFHSA-N	-1	0	308.294	0.210	20	30		DCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1cnc(C)c(-c2nn[nH]n2)c1	ZINC001609019098	1170785138	/nfs/dbraw/zinc/78/51/38/1170785138.db2.gz	NAQCNBDLYGZTDL-VIFPVBQESA-N	-1	0	306.351	0.260	20	30		DCEDRM
C#C[C@@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)c1ccccc1	ZINC001609057761	1170794208	/nfs/dbraw/zinc/79/42/08/1170794208.db2.gz	FEECOFSRUPUCGM-GFCCVEGCSA-N	-1	0	313.317	0.650	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001609057883	1170794344	/nfs/dbraw/zinc/79/43/44/1170794344.db2.gz	IQILHMHVSLCSSJ-IJLUTSLNSA-N	-1	0	301.364	0.294	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC001609257446	1170900355	/nfs/dbraw/zinc/90/03/55/1170900355.db2.gz	DZVWGUWLGYIAFB-ZJUUUORDSA-N	-1	0	305.352	0.231	20	30		DCEDRM
CC#CC(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-]	ZINC001609488792	1170995390	/nfs/dbraw/zinc/99/53/90/1170995390.db2.gz	MCVTWKBKGUVFGK-NSHDSACASA-N	-1	0	310.350	0.932	20	30		DCEDRM
C[C@@H](C(=O)N(C)c1ncc(C(=O)[O-])s1)n1cnc(C#N)n1	ZINC001609632500	1171056443	/nfs/dbraw/zinc/05/64/43/1171056443.db2.gz	SRPCVVJBQSIRQL-LURJTMIESA-N	-1	0	306.307	0.528	20	30		DCEDRM
C[C@H](C(=O)NCc1ccccc1CC(=O)[O-])n1cnc(C#N)n1	ZINC001609636053	1171056585	/nfs/dbraw/zinc/05/65/85/1171056585.db2.gz	MMFLFRCEIAIIJS-SNVBAGLBSA-N	-1	0	313.317	0.654	20	30		DCEDRM
CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001609911322	1171120609	/nfs/dbraw/zinc/12/06/09/1171120609.db2.gz	PWXBRKHBEULBMF-JTQLQIEISA-N	-1	0	319.317	0.897	20	30		DCEDRM
CCN1CCO[C@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC001610007691	1171136527	/nfs/dbraw/zinc/13/65/27/1171136527.db2.gz	DXVYAFIDPUOHSL-UONOGXRCSA-N	-1	0	318.329	0.948	20	30		DCEDRM
Cc1c(N[C@H](C(N)=O)c2ccc(C#N)cc2)cnn1CC(=O)[O-]	ZINC001610426431	1171234013	/nfs/dbraw/zinc/23/40/13/1171234013.db2.gz	WBNYFPZMZQNKIA-AWEZNQCLSA-N	-1	0	313.317	0.786	20	30		DCEDRM
Cn1c(C(=O)[O-])ccc1C(=O)NCCNc1ccc(C#N)cn1	ZINC001610596413	1171263063	/nfs/dbraw/zinc/26/30/63/1171263063.db2.gz	RMEFAALTSQTPFA-UHFFFAOYSA-N	-1	0	313.317	0.832	20	30		DCEDRM
N#CCOc1cccc(CC(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1	ZINC001610622754	1171271094	/nfs/dbraw/zinc/27/10/94/1171271094.db2.gz	AECXMUMMQRZCOM-UHFFFAOYSA-N	-1	0	315.289	0.515	20	30		DCEDRM
N#Cc1ccc(OCCN2CCC[C@H]2C(=O)NCC(=O)[O-])cc1	ZINC001610629063	1171272370	/nfs/dbraw/zinc/27/23/70/1171272370.db2.gz	FTIRPPSOQWDMMO-AWEZNQCLSA-N	-1	0	317.345	0.602	20	30		DCEDRM
N#Cc1ccc(OCCN2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1	ZINC001610629069	1171272380	/nfs/dbraw/zinc/27/23/80/1171272380.db2.gz	FTIRPPSOQWDMMO-CQSZACIVSA-N	-1	0	317.345	0.602	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)cc1	ZINC001610628085	1171272892	/nfs/dbraw/zinc/27/28/92/1171272892.db2.gz	YRUSJMAJPHMQFW-UKRRQHHQSA-N	-1	0	304.302	0.342	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CN2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC001610627969	1171272896	/nfs/dbraw/zinc/27/28/96/1171272896.db2.gz	KYXCQUDGNVWCES-AWEZNQCLSA-N	-1	0	317.345	0.350	20	30		DCEDRM
C#CCCCS(=O)(=O)NCc1nc2c(c(=O)[nH]1)COCC2	ZINC001622483423	1171425655	/nfs/dbraw/zinc/42/56/55/1171425655.db2.gz	MBWGECAGVFCXTD-UHFFFAOYSA-N	-1	0	311.363	0.088	20	30		DCEDRM
CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnn[n-]1	ZINC001626985501	1171494735	/nfs/dbraw/zinc/49/47/35/1171494735.db2.gz	VQFOSUQDZIVGGU-SECBINFHSA-N	-1	0	308.342	0.123	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1	ZINC001633101011	1171632905	/nfs/dbraw/zinc/63/29/05/1171632905.db2.gz	LAEADLFUDFXBEA-SECBINFHSA-N	-1	0	314.363	0.959	20	30		DCEDRM
COC(=O)CCSCCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001635100066	1171692104	/nfs/dbraw/zinc/69/21/04/1171692104.db2.gz	LAQVCHOOEYYUMF-UHFFFAOYSA-N	-1	0	323.374	0.993	20	30		DCEDRM
C#CCN(CC1CC1)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001636498297	1171740103	/nfs/dbraw/zinc/74/01/03/1171740103.db2.gz	ITCXCBHOGPJGGF-UHFFFAOYSA-N	-1	0	312.329	0.752	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)OC	ZINC001637697461	1171774714	/nfs/dbraw/zinc/77/47/14/1171774714.db2.gz	SYDCMNCXMMFKEZ-GFCCVEGCSA-N	-1	0	313.313	0.873	20	30		DCEDRM
N#Cc1nc(NC(=O)/C=C\COC2CCOCC2)[n-]c1C#N	ZINC001639319631	1171831425	/nfs/dbraw/zinc/83/14/25/1171831425.db2.gz	SHJDUHUMGNJOCY-UPHRSURJSA-N	-1	0	301.306	0.843	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001640588002	1171884536	/nfs/dbraw/zinc/88/45/36/1171884536.db2.gz	DFKUAUMZKISEGG-NSHDSACASA-N	-1	0	302.338	0.132	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)C(=O)OC	ZINC001643611008	1171981026	/nfs/dbraw/zinc/98/10/26/1171981026.db2.gz	VXSWVTTZSOWUCH-SNVBAGLBSA-N	-1	0	304.306	0.260	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2nccc3cc[nH]c32)c(=O)[n-]c1=O	ZINC001645628838	1172079452	/nfs/dbraw/zinc/07/94/52/1172079452.db2.gz	JKJQLIBGFCDYPC-UHFFFAOYSA-N	-1	0	324.300	0.726	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCSC3(CCOCC3)C2)c(C#N)c1=O	ZINC001646634303	1172449335	/nfs/dbraw/zinc/44/93/35/1172449335.db2.gz	UXFNQTKEHXWFBB-UHFFFAOYSA-N	-1	0	322.390	0.048	20	30		DCEDRM
Cc1[n-]n(-c2nccc(N3CCOCC3)n2)c(=O)c1CCC#N	ZINC001647341833	1172825790	/nfs/dbraw/zinc/82/57/90/1172825790.db2.gz	SNHBQQYIRFALRV-LBPRGKRZSA-N	-1	0	314.349	0.956	20	30		DCEDRM
CN(CCc1ccccc1F)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001647626940	1173005403	/nfs/dbraw/zinc/00/54/03/1173005403.db2.gz	FEFUFCDBGOLSHI-UHFFFAOYSA-N	-1	0	302.309	0.763	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@]2(CO)CCOC2)cc1C#N	ZINC001649751631	1173200775	/nfs/dbraw/zinc/20/07/75/1173200775.db2.gz	ZFPGAYJFQRSJIY-ZDUSSCGKSA-N	-1	0	309.347	0.262	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@@](F)(CO)C2)cc1C#N	ZINC001649791336	1173227377	/nfs/dbraw/zinc/22/73/77/1173227377.db2.gz	CCMMZQWADSXSIA-ZDUSSCGKSA-N	-1	0	311.338	0.927	20	30		DCEDRM
CC[C@@](C)(C#N)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001650032938	1173395784	/nfs/dbraw/zinc/39/57/84/1173395784.db2.gz	IRKPQOGGYGCWDL-LSDHHAIUSA-N	-1	0	309.366	0.314	20	30		DCEDRM
CC[C@H]1C(=O)NCCN1C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001650234533	1173528315	/nfs/dbraw/zinc/52/83/15/1173528315.db2.gz	BPNZOPPYIZEUIH-JTQLQIEISA-N	-1	0	320.374	0.731	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCc2ccc(O)cc2)c(C#N)c1=O	ZINC001651514426	1173750707	/nfs/dbraw/zinc/75/07/07/1173750707.db2.gz	XBPOQCQFYNYLQR-UHFFFAOYSA-N	-1	0	300.318	0.696	20	30		DCEDRM
C#CCCS(=O)(=O)N[C@@H](c1cnn(C)c1)c1noc(C)n1	ZINC001655462171	1173821076	/nfs/dbraw/zinc/82/10/76/1173821076.db2.gz	VNRUUOUJLIVYAU-NSHDSACASA-N	-1	0	309.351	0.144	20	30		DCEDRM
CC#CC[C@@H](CO)[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC001655897812	1173829939	/nfs/dbraw/zinc/82/99/39/1173829939.db2.gz	YSLVZZCCKDHRBP-VIFPVBQESA-N	-1	0	301.320	0.119	20	30		DCEDRM
C=CCn1cc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])nn1	ZINC001662631647	1174226768	/nfs/dbraw/zinc/22/67/68/1174226768.db2.gz	LSUCUTCNBFSDTI-UHFFFAOYSA-N	-1	0	324.322	0.246	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001666712592	1174628021	/nfs/dbraw/zinc/62/80/21/1174628021.db2.gz	ANFFHZRXUSNNAT-NSHDSACASA-N	-1	0	323.397	0.430	20	30		DCEDRM
N#CCNC[C@H]1CC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001676965120	1175507389	/nfs/dbraw/zinc/50/73/89/1175507389.db2.gz	KQUWWTWLNKMFDV-VHSXEESVSA-N	-1	0	315.333	0.940	20	30		DCEDRM
C#CCOCCC(=O)N(C)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001678128572	1175625783	/nfs/dbraw/zinc/62/57/83/1175625783.db2.gz	FHLJJZLJYHWYPZ-SNVBAGLBSA-N	-1	0	322.365	0.040	20	30		DCEDRM
CC(C)[C@@H](CCNC(=O)C#CC1CC1)NC(=O)c1cn[nH]n1	ZINC001679708746	1175747717	/nfs/dbraw/zinc/74/77/17/1175747717.db2.gz	VXFJWDVKTRPHPC-GFCCVEGCSA-N	-1	0	303.366	0.479	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001684298532	1175996700	/nfs/dbraw/zinc/99/67/00/1175996700.db2.gz	AZKXAZZDZYLYKG-NEPJUHHUSA-N	-1	0	321.381	0.828	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1	ZINC001685649653	1176039271	/nfs/dbraw/zinc/03/92/71/1176039271.db2.gz	ODYNMNGRKXLEJK-NEPJUHHUSA-N	-1	0	321.381	0.387	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001688319603	1176448312	/nfs/dbraw/zinc/44/83/12/1176448312.db2.gz	DGRKCPWHTYHDDF-UHFFFAOYSA-N	-1	0	306.366	0.968	20	30		DCEDRM
C#CCC1(C(=O)NC[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])CCC1	ZINC001705099405	1180259626	/nfs/dbraw/zinc/25/96/26/1180259626.db2.gz	JUCICNXOPKCLJU-SNVBAGLBSA-N	-1	0	318.377	0.852	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001713936018	1181158939	/nfs/dbraw/zinc/15/89/39/1181158939.db2.gz	MEZBCMZHHFZROS-SRVKXCTJSA-N	-1	0	305.382	0.898	20	30		DCEDRM
C=C(C)CCC(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001717939481	1183078918	/nfs/dbraw/zinc/07/89/18/1183078918.db2.gz	HRQBZRFPFZFXJI-NSHDSACASA-N	-1	0	311.386	0.118	20	30		DCEDRM
C=C(C)CCC(=O)N(C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001720525651	1183640931	/nfs/dbraw/zinc/64/09/31/1183640931.db2.gz	PZXRNBQEABXLRW-UHFFFAOYSA-N	-1	0	323.353	0.217	20	30		DCEDRM
C=CCCCC(=O)NC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O	ZINC001720935068	1183773261	/nfs/dbraw/zinc/77/32/61/1183773261.db2.gz	XHGRWMRTFARHIZ-JTQLQIEISA-N	-1	0	322.365	0.077	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001723404999	1184296721	/nfs/dbraw/zinc/29/67/21/1184296721.db2.gz	ASBZXANCPDZJCC-MNOVXSKESA-N	-1	0	309.370	0.182	20	30		DCEDRM
N#CCNCC1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001733956400	1186508195	/nfs/dbraw/zinc/50/81/95/1186508195.db2.gz	FYIDDXZSZNXVPP-UHFFFAOYSA-N	-1	0	301.306	0.550	20	30		DCEDRM
C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnc[nH]c1=O	ZINC001738078867	1187469682	/nfs/dbraw/zinc/46/96/82/1187469682.db2.gz	KNEOXICSOOVJAK-RYUDHWBXSA-N	-1	0	314.345	0.411	20	30		DCEDRM
C=CC(C)(C)C(=O)N(C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001743603417	1188147467	/nfs/dbraw/zinc/14/74/67/1188147467.db2.gz	NTTKJNWLJPDUCR-UHFFFAOYSA-N	-1	0	323.353	0.073	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001758675519	1189956922	/nfs/dbraw/zinc/95/69/22/1189956922.db2.gz	VLRDLCQSMXRBDF-MGCOHNPYSA-N	-1	0	308.338	0.003	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001758804737	1190002066	/nfs/dbraw/zinc/00/20/66/1190002066.db2.gz	BXLIWZDNKYTNGU-LBPRGKRZSA-N	-1	0	318.377	0.806	20	30		DCEDRM
C=CC(C)(C)C(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001759976885	1190354643	/nfs/dbraw/zinc/35/46/43/1190354643.db2.gz	WVESORGSJUPSQZ-UHFFFAOYSA-N	-1	0	306.366	0.919	20	30		DCEDRM
CC1(C)CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)N(CC#N)C1	ZINC001089665748	751512383	/nfs/dbraw/zinc/51/23/83/751512383.db2.gz	DIHPSACTPBMXDW-VIFPVBQESA-N	-1	0	320.353	0.027	20	30		DCEDRM
C[C@H]1[C@H](Nc2ncc3c(c2C#N)CCC3)C(=O)N1S(=O)(=O)[O-]	ZINC001167858724	748442007	/nfs/dbraw/zinc/44/20/07/748442007.db2.gz	RDZNLDCYNLLXMN-CPCISQLKSA-N	-1	0	322.346	0.256	20	30		DCEDRM
Cc1cc(CC#N)ccc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C	ZINC001167861248	748444671	/nfs/dbraw/zinc/44/46/71/748444671.db2.gz	NNMRDJZTHONNKF-CABZTGNLSA-N	-1	0	309.347	0.875	20	30		DCEDRM
COc1nc(NC(=N)SCCS(=O)(=O)[O-])ccc1C#N	ZINC001168088605	749370345	/nfs/dbraw/zinc/37/03/45/749370345.db2.gz	IJYNIHSFMXOQNP-UHFFFAOYSA-N	-1	0	316.364	0.930	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)c1[O-]	ZINC001059604146	749373621	/nfs/dbraw/zinc/37/36/21/749373621.db2.gz	UXVPXMLQODHVKC-AOOOYVTPSA-N	-1	0	313.321	0.458	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)OCC	ZINC001112906426	762007542	/nfs/dbraw/zinc/00/75/42/762007542.db2.gz	CEZWMQHQOGMWMJ-GFCCVEGCSA-N	-1	0	323.397	0.526	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccnc(CC)n1	ZINC001234698146	751098317	/nfs/dbraw/zinc/09/83/17/751098317.db2.gz	PVLBGGRVHBAYOE-SNVBAGLBSA-N	-1	0	302.352	0.877	20	30		DCEDRM
C=C(Cl)CN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1	ZINC001090198907	754348833	/nfs/dbraw/zinc/34/88/33/754348833.db2.gz	CRXZYZTYCGQPKW-ZJUUUORDSA-N	-1	0	314.773	0.341	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2nccnc2C#N)c1[O-]	ZINC001097805866	755750482	/nfs/dbraw/zinc/75/04/82/755750482.db2.gz	WYPJPXJJOPVCIJ-SSDOTTSWSA-N	-1	0	301.310	0.316	20	30		DCEDRM
C=CCN1CC2(C1)CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])O2	ZINC001053590494	756107868	/nfs/dbraw/zinc/10/78/68/756107868.db2.gz	IZKQJCWOUCQARZ-NSHDSACASA-N	-1	0	306.366	0.573	20	30		DCEDRM
CC#CCN1CC2(C1)C[C@H](NC(=O)c1[nH]nc(C)c1[O-])CO2	ZINC001053774587	756196411	/nfs/dbraw/zinc/19/64/11/756196411.db2.gz	GJCKAUYFLMPDGZ-NSHDSACASA-N	-1	0	304.350	0.020	20	30		DCEDRM
C=C(C)CCN1CC2(C1)C[C@@H](NC(=O)c1[nH]nc(C)c1[O-])CO2	ZINC001053775491	756197167	/nfs/dbraw/zinc/19/71/67/756197167.db2.gz	YNLVASQPMOXKGW-GFCCVEGCSA-N	-1	0	320.393	0.963	20	30		DCEDRM
C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1n[n-]c2ccccc2c1=O	ZINC001080542731	756237933	/nfs/dbraw/zinc/23/79/33/756237933.db2.gz	PGDXMPLNXVLDKJ-ZWNOBZJWSA-N	-1	0	311.345	0.909	20	30		DCEDRM
Cc1ncc(CO)c(C(=O)N=C(N)c2ccc(F)cn2)c1[O-]	ZINC001147844525	767859514	/nfs/dbraw/zinc/85/95/14/767859514.db2.gz	SBKCSFNPUBTLMP-UHFFFAOYSA-N	-1	0	304.281	0.668	20	30		DCEDRM
CCOC(=O)[C@H](C#N)NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889399	767862893	/nfs/dbraw/zinc/86/28/93/767862893.db2.gz	JCGZKAOAGWSAPB-LBPRGKRZSA-N	-1	0	314.301	0.351	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CN(C)c2cnc(C#N)cn2)c1[O-]	ZINC001108900252	761128597	/nfs/dbraw/zinc/12/85/97/761128597.db2.gz	BSTCIDKKYUOFRA-MRVPVSSYSA-N	-1	0	315.337	0.340	20	30		DCEDRM
C=CCOCCCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114111539	762816899	/nfs/dbraw/zinc/81/68/99/762816899.db2.gz	LHYFFVGQHGUKIZ-YABSGUDNSA-N	-1	0	321.381	0.040	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C)c2ncc(C#N)cc2F)c1[O-]	ZINC001100014475	763218312	/nfs/dbraw/zinc/21/83/12/763218312.db2.gz	MGPHCOLUGOYJHY-UHFFFAOYSA-N	-1	0	318.312	0.696	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCNc2nccnc2C#N)c1[O-]	ZINC001101555624	764154434	/nfs/dbraw/zinc/15/44/34/764154434.db2.gz	ZKJPRARJRAFINN-UHFFFAOYSA-N	-1	0	301.310	0.270	20	30		DCEDRM
CCc1c(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)cnn1C	ZINC000813983963	765297758	/nfs/dbraw/zinc/29/77/58/765297758.db2.gz	KGUNNOJQCZELKW-UHFFFAOYSA-N	-1	0	319.346	0.368	20	30		DCEDRM
C[C@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983930	765297777	/nfs/dbraw/zinc/29/77/77/765297777.db2.gz	JZMUKMRLODJAPI-KOLCDFICSA-N	-1	0	321.358	0.763	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCSC2)c1	ZINC000813983892	765297983	/nfs/dbraw/zinc/29/79/83/765297983.db2.gz	GJVPRBLTFGJMBY-SNVBAGLBSA-N	-1	0	311.388	0.901	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	ZINC001134415311	765517000	/nfs/dbraw/zinc/51/70/00/765517000.db2.gz	YNHNOGFBNMOWDK-AWEZNQCLSA-N	-1	0	305.334	0.755	20	30		DCEDRM
C[C@@H](CO)NN=Cc1c(Br)cc(C(=O)[O-])n1C	ZINC001116213168	765850787	/nfs/dbraw/zinc/85/07/87/765850787.db2.gz	VLZYXSALBLPQJV-LURJTMIESA-N	-1	0	304.144	0.790	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1	ZINC001118242037	766264144	/nfs/dbraw/zinc/26/41/44/766264144.db2.gz	UYOPXRFUOABDDI-LBPRGKRZSA-N	-1	0	324.377	0.503	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC001118998149	766497714	/nfs/dbraw/zinc/49/77/14/766497714.db2.gz	XRDYGYAAKSUYBU-UHFFFAOYSA-N	-1	0	324.358	0.833	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCOCC(F)(F)C(F)F)c(C#N)c1=O	ZINC001120840280	767254723	/nfs/dbraw/zinc/25/47/23/767254723.db2.gz	HJPKBHGOHOWVBA-UHFFFAOYSA-N	-1	0	324.234	0.274	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCC2	ZINC001122439549	767803366	/nfs/dbraw/zinc/80/33/66/767803366.db2.gz	FHRCIHOVEZNVGC-LBPRGKRZSA-N	-1	0	318.377	0.774	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](COC)C1	ZINC001122513406	767821235	/nfs/dbraw/zinc/82/12/35/767821235.db2.gz	WSUSUFYWTQKFNC-NSHDSACASA-N	-1	0	318.381	0.551	20	30		DCEDRM
C#Cc1cccc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001142211276	768628555	/nfs/dbraw/zinc/62/85/55/768628555.db2.gz	PCDRBYXMTKEQGH-UHFFFAOYSA-N	-1	0	322.324	0.508	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1n[nH]cc2nncc1-2	ZINC001230899809	768904943	/nfs/dbraw/zinc/90/49/43/768904943.db2.gz	AIQKJMYOTMIUHO-MRVPVSSYSA-N	-1	0	314.323	0.191	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCNc2cnc(C#N)cn2)c1[O-]	ZINC001094389703	769024985	/nfs/dbraw/zinc/02/49/85/769024985.db2.gz	NQDJRSVJRQGUCQ-UHFFFAOYSA-N	-1	0	301.310	0.317	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001231094228	769169984	/nfs/dbraw/zinc/16/99/84/769169984.db2.gz	FQBSVGHCNVTZIE-RYUDHWBXSA-N	-1	0	323.397	0.524	20	30		DCEDRM
N#Cc1cc(C(F)(F)F)cnc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001233506594	769378884	/nfs/dbraw/zinc/37/88/84/769378884.db2.gz	IKNUCWOXSBSDMY-ZETCQYMHSA-N	-1	0	304.180	0.713	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC[C@H](NCS(=O)(=O)[O-])C[C@H]1C#N	ZINC001172975850	769523451	/nfs/dbraw/zinc/52/34/51/769523451.db2.gz	KFBHPHXYLNRCRN-UWVGGRQHSA-N	-1	0	319.383	0.713	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(CC)Cc1n[nH]c(=O)[n-]1	ZINC001153018469	769695462	/nfs/dbraw/zinc/69/54/62/769695462.db2.gz	DYUPVMUODMEIJU-YGRLFVJLSA-N	-1	0	311.386	0.164	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1	ZINC001154093151	770068568	/nfs/dbraw/zinc/06/85/68/770068568.db2.gz	WGHBMCNUIYDULP-XYPYZODXSA-N	-1	0	322.386	0.961	20	30		DCEDRM
N#C[C@H]1CNCCN1C(=O)CSc1n[n-]c(=S)s1	ZINC001177339427	770414560	/nfs/dbraw/zinc/41/45/60/770414560.db2.gz	FMKKVCZHJWFSAL-LURJTMIESA-N	-1	0	301.422	0.243	20	30		DCEDRM
CO/N=C(\C(=O)NCCCC[P@@](=O)([O-])O)c1ccco1	ZINC001177353671	770427266	/nfs/dbraw/zinc/42/72/66/770427266.db2.gz	SOVAYBLONGWRCZ-RAXLEYEMSA-N	-1	0	304.239	0.704	20	30		DCEDRM
N#Cc1ccccc1N1CCC(C(=O)N[C@@H]2CO[N-]C2=O)CC1	ZINC001180506371	771130080	/nfs/dbraw/zinc/13/00/80/771130080.db2.gz	SOPJQUCSGAQDJX-CYBMUJFWSA-N	-1	0	314.345	0.321	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)[N-]C(=O)C(F)(F)OCC(F)(F)F	ZINC001183198016	771618812	/nfs/dbraw/zinc/61/88/12/771618812.db2.gz	UEHGZKIBWCMOII-RXMQYKEDSA-N	-1	0	304.171	0.730	20	30		DCEDRM
COc1ccnc(C(N)=NC(=O)c2nc(SC)ncc2[O-])n1	ZINC001185188408	771876132	/nfs/dbraw/zinc/87/61/32/771876132.db2.gz	ZXDPEUNXHIQNMQ-UHFFFAOYSA-N	-1	0	320.334	0.248	20	30		DCEDRM
N#Cc1cc(F)c(Cl)nc1Nc1c([S-])[nH]c(=O)[nH]c1=O	ZINC001160848245	772122508	/nfs/dbraw/zinc/12/25/08/772122508.db2.gz	VRKMSXBDHCGAQW-YFKPBYRVSA-N	-1	0	313.701	0.693	20	30		DCEDRM
COC(=O)CCS(=O)(=O)[N-]c1ccc(Cl)nc1C#N	ZINC001188349331	772297229	/nfs/dbraw/zinc/29/72/29/772297229.db2.gz	AAMDMSFPIPYOBH-UHFFFAOYSA-N	-1	0	303.727	0.911	20	30		DCEDRM
COC(=O)CCS(=O)(=O)[N-]c1nc2ncccc2cc1C#N	ZINC001188349949	772297775	/nfs/dbraw/zinc/29/77/75/772297775.db2.gz	IKZHCYWLYUEQQI-UHFFFAOYSA-N	-1	0	320.330	0.806	20	30		DCEDRM
N#Cc1cnn(-c2ncccn2)c1[N-]S(=O)(=O)CC1CC1	ZINC001188937951	772385625	/nfs/dbraw/zinc/38/56/25/772385625.db2.gz	WWSDIKRFVKQRAH-UHFFFAOYSA-N	-1	0	304.335	0.686	20	30		DCEDRM
N#CC1(NC(=O)c2ccccc2S(=O)(=O)[O-])CCOCC1	ZINC001189704129	772519295	/nfs/dbraw/zinc/51/92/95/772519295.db2.gz	SQYXMVJVQHAGIV-UHFFFAOYSA-N	-1	0	310.331	0.736	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)Cc1cc(F)ccc1F)C(=O)OC	ZINC001189710575	772520861	/nfs/dbraw/zinc/52/08/61/772520861.db2.gz	WLVNUKHNAFIPNS-LBPRGKRZSA-N	-1	0	317.313	0.949	20	30		DCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)Cc1cc(F)ccc1F	ZINC001189710481	772521141	/nfs/dbraw/zinc/52/11/41/772521141.db2.gz	SGEZLMZYBZRLCA-NSHDSACASA-N	-1	0	318.301	0.839	20	30		DCEDRM
N#Cc1ccc(C(=O)NC(=N)SCCS(=O)(=O)[O-])nc1	ZINC001190597589	772649622	/nfs/dbraw/zinc/64/96/22/772649622.db2.gz	XVUDXOIFTAWBFD-UHFFFAOYSA-N	-1	0	314.348	0.239	20	30		DCEDRM
CN(CC#N)C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-]	ZINC001191024373	772709821	/nfs/dbraw/zinc/70/98/21/772709821.db2.gz	DKDVYLBXHVVJEZ-UHFFFAOYSA-N	-1	0	303.727	0.289	20	30		DCEDRM
C=CCOC(=O)N1CCC(CNC(=O)c2cc(=O)[nH][n-]2)CC1	ZINC001193475004	773068874	/nfs/dbraw/zinc/06/88/74/773068874.db2.gz	QOZAYOUGAROFLY-UHFFFAOYSA-N	-1	0	308.338	0.880	20	30		DCEDRM
CN=c1c(N)cc(Cl)nn1C(=O)c1cccc(C#N)c1[O-]	ZINC001193642684	773094167	/nfs/dbraw/zinc/09/41/67/773094167.db2.gz	NEBAQKYQZUNBRV-UHFFFAOYSA-N	-1	0	303.709	0.915	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccccc1N	ZINC001193948753	773136625	/nfs/dbraw/zinc/13/66/25/773136625.db2.gz	GQHGMMGEZVHGHN-UHFFFAOYSA-N	-1	0	321.318	0.752	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1ccc(Cl)nc1C#N	ZINC001195933542	773505544	/nfs/dbraw/zinc/50/55/44/773505544.db2.gz	AEJFDGDTQDHNLD-UHFFFAOYSA-N	-1	0	303.727	0.911	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C)nc1	ZINC001198333523	773901201	/nfs/dbraw/zinc/90/12/01/773901201.db2.gz	PGPKEQGEVQTVBZ-UHFFFAOYSA-N	-1	0	321.318	0.874	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=S)NCCN2CCOCC2)c1	ZINC001200128316	774282481	/nfs/dbraw/zinc/28/24/81/774282481.db2.gz	WTYRPIURTUGCLM-UHFFFAOYSA-N	-1	0	306.391	0.882	20	30		DCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1cncc(C(=O)OC)c1	ZINC001201842634	774564961	/nfs/dbraw/zinc/56/49/61/774564961.db2.gz	ZUSRQBBFXWATHK-UHFFFAOYSA-N	-1	0	318.314	0.440	20	30		DCEDRM
C#CCCCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001221492956	775124455	/nfs/dbraw/zinc/12/44/55/775124455.db2.gz	PIIIGUYZTWOEII-CHWSQXEVSA-N	-1	0	317.393	0.737	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1nccnc1C	ZINC001223358107	775483311	/nfs/dbraw/zinc/48/33/11/775483311.db2.gz	AQNGHASLTAGYCA-NSHDSACASA-N	-1	0	302.352	0.761	20	30		DCEDRM
CC1(C)O[C@H]2C(=O)O[C@H](COc3[n-]c(=O)c(F)cc3C#N)[C@H]2O1	ZINC001226009176	775754291	/nfs/dbraw/zinc/75/42/91/775754291.db2.gz	UIKOFQUKLJIJPE-OPRDCNLKSA-N	-1	0	324.264	0.622	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1[nH]c(=O)ncc1C	ZINC001226327582	775801345	/nfs/dbraw/zinc/80/13/45/775801345.db2.gz	ZGBIEYJOSHRVRV-SECBINFHSA-N	-1	0	304.324	0.328	20	30		DCEDRM
C#C[C@H](Oc1n[n-]c(=O)cc1Br)C(=O)OCC	ZINC001226849498	775884241	/nfs/dbraw/zinc/88/42/41/775884241.db2.gz	NKUZQGJYOMHCSF-ZETCQYMHSA-N	-1	0	301.096	0.888	20	30		DCEDRM
C#C[C@H](Oc1[nH]c(=O)nc2c(=O)[n-]c(=O)[nH]c21)c1ccncc1	ZINC001226887086	775891728	/nfs/dbraw/zinc/89/17/28/775891728.db2.gz	YNOXPOULVHKFHA-QMMMGPOBSA-N	-1	0	311.257	0.685	20	30		DCEDRM
O=C([O-])CC[C@@H](O)C(=O)Oc1cccc2c1C(=O)C=CC2=O	ZINC001228471456	776086032	/nfs/dbraw/zinc/08/60/32/776086032.db2.gz	ZBYXCPBQJCZTTP-LLVKDONJSA-N	-1	0	304.254	0.753	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc2c[nH]nc2cn1	ZINC001229236847	776172034	/nfs/dbraw/zinc/17/20/34/776172034.db2.gz	YGQQDZIZKSRTBK-JTQLQIEISA-N	-1	0	313.335	0.796	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O	ZINC001601069532	1168580723	/nfs/dbraw/zinc/58/07/23/1168580723.db2.gz	MUBSPKPNTUPPJR-QMMMGPOBSA-N	-1	0	321.255	0.224	20	30		DCEDRM
C=CCOC[C@H](NC(=O)COc1ccccc1C#N)C(=O)[O-]	ZINC001602908870	1169203513	/nfs/dbraw/zinc/20/35/13/1169203513.db2.gz	HTDOMNVTBPRORM-LBPRGKRZSA-N	-1	0	304.302	0.709	20	30		DCEDRM
COCC#CCN(C)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001266346793	939085897	/nfs/dbraw/zinc/08/58/97/939085897.db2.gz	CBKXVUXZOANDNG-UHFFFAOYSA-N	-1	0	318.333	0.240	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1n[nH]c(=O)[n-]1	ZINC001268709043	940338265	/nfs/dbraw/zinc/33/82/65/940338265.db2.gz	OZZPNGMIKHSKQU-NHCYSSNCSA-N	-1	0	309.370	0.086	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)[N-][C@H](CCO)C(F)(F)F	ZINC001414344841	941736621	/nfs/dbraw/zinc/73/66/21/941736621.db2.gz	IRUPGPRTZKFJSI-SECBINFHSA-N	-1	0	309.269	0.545	20	30		DCEDRM
COc1ccc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)nc1	ZINC001413269284	942595204	/nfs/dbraw/zinc/59/52/04/942595204.db2.gz	YTJMVLDFDBHRBI-UHFFFAOYSA-N	-1	0	315.289	0.253	20	30		DCEDRM
COC[C@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1nnn[n-]1	ZINC001413553369	943071871	/nfs/dbraw/zinc/07/18/71/943071871.db2.gz	LFQCMHRSCOMTHQ-GWCFXTLKSA-N	-1	0	314.349	0.754	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)c1[O-]	ZINC001056611120	943340162	/nfs/dbraw/zinc/34/01/62/943340162.db2.gz	FGNRXZAAANYYJH-SNVBAGLBSA-N	-1	0	313.321	0.412	20	30		DCEDRM
CC1(C)CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)C#CC1CC1	ZINC001484935115	943627701	/nfs/dbraw/zinc/62/77/01/943627701.db2.gz	PFNQEUYYGREFOM-GFCCVEGCSA-N	-1	0	317.393	0.640	20	30		DCEDRM
CCOC(C)(C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001413814283	944118194	/nfs/dbraw/zinc/11/81/94/944118194.db2.gz	WGOSBOFDAUVQNO-UHFFFAOYSA-N	-1	0	306.322	0.019	20	30		DCEDRM
C#CCN(CC#N)C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC001116916482	944129493	/nfs/dbraw/zinc/12/94/93/944129493.db2.gz	YDNCLBIYMMTRCS-UHFFFAOYSA-N	-1	0	322.328	0.476	20	30		DCEDRM
N#CCN[C@@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CC1	ZINC001317029711	944748858	/nfs/dbraw/zinc/74/88/58/944748858.db2.gz	KMWUQOSLTPBACX-JTQLQIEISA-N	-1	0	301.306	0.550	20	30		DCEDRM
C=C(C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001277859717	945014943	/nfs/dbraw/zinc/01/49/43/945014943.db2.gz	XGIVNLAQCPVCCL-LBPRGKRZSA-N	-1	0	307.398	0.545	20	30		DCEDRM
N#C[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-])C(N)=O	ZINC001251438836	945754541	/nfs/dbraw/zinc/75/45/41/945754541.db2.gz	FRHOXWOPRXTFSB-LURJTMIESA-N	-1	0	324.145	0.355	20	30		DCEDRM
C#CCOCCOCc1cn(-c2ccc(C(=O)[O-])c(O)c2)nn1	ZINC001254096109	946314943	/nfs/dbraw/zinc/31/49/43/946314943.db2.gz	DADAJAJVZHEUSF-UHFFFAOYSA-N	-1	0	317.301	0.838	20	30		DCEDRM
C=CC[C@@H](NC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)[O-]	ZINC001256550659	946642206	/nfs/dbraw/zinc/64/22/06/946642206.db2.gz	JPBOEIFBFNWIPV-ZYHUDNBSSA-N	-1	0	304.302	0.922	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnc(C)nc1C1CC1	ZINC001602679897	971262573	/nfs/dbraw/zinc/26/25/73/971262573.db2.gz	YVEOFDREGZBQSG-UHFFFAOYSA-N	-1	0	316.317	0.147	20	30		DCEDRM
CSCCO[N-]C(=O)C(=O)NCc1ccc(OCC#N)cc1	ZINC001322527118	946708693	/nfs/dbraw/zinc/70/86/93/946708693.db2.gz	ONJQIJRMMLMFRU-UHFFFAOYSA-N	-1	0	323.374	0.616	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CN(Cc2ccccc2)CCO1	ZINC001602682218	971266883	/nfs/dbraw/zinc/26/68/83/971266883.db2.gz	JFAUWCZDFROKGT-OAHLLOKOSA-N	-1	0	316.357	0.434	20	30		DCEDRM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1c(C#N)ncn1C	ZINC001258361324	946826483	/nfs/dbraw/zinc/82/64/83/946826483.db2.gz	NLRIOTBOAZEKFC-UHFFFAOYSA-N	-1	0	314.758	0.788	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(C[S@](C)=O)cc1	ZINC001602686053	971285059	/nfs/dbraw/zinc/28/50/59/971285059.db2.gz	PGVAECCQZQVGNP-QFIPXVFZSA-N	-1	0	322.386	0.795	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1cn(C)c2ncccc12	ZINC001602686020	971285281	/nfs/dbraw/zinc/28/52/81/971285281.db2.gz	NUGOXTRMGWELBR-UHFFFAOYSA-N	-1	0	314.345	0.845	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(NC(C)=O)c(C#N)c1	ZINC001259025412	946900416	/nfs/dbraw/zinc/90/04/16/946900416.db2.gz	UIXWBPMAGALPMC-UHFFFAOYSA-N	-1	0	311.319	0.431	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)[N-]c2cnc(C(N)=O)nc2)ccc1F	ZINC001259412870	946955598	/nfs/dbraw/zinc/95/55/98/946955598.db2.gz	UVBAWTAHGUKDKB-UHFFFAOYSA-N	-1	0	321.293	0.387	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nn(C2CCOCC2)cc1C	ZINC001602692529	971304161	/nfs/dbraw/zinc/30/41/61/971304161.db2.gz	SGNLBRCJDXFHOQ-UHFFFAOYSA-N	-1	0	305.334	0.703	20	30		DCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)c1cnn(C)c1	ZINC001259821278	946989462	/nfs/dbraw/zinc/98/94/62/946989462.db2.gz	RAKZCYUDUCJIOZ-UHFFFAOYSA-N	-1	0	319.350	0.547	20	30		DCEDRM
Cn1ccc(S(=O)(=O)[N-]c2c(C#N)cnc3ccnn32)n1	ZINC001259938278	947026799	/nfs/dbraw/zinc/02/67/99/947026799.db2.gz	IEMNQWHLOJDGTC-UHFFFAOYSA-N	-1	0	303.307	0.135	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]c2cccnc2C(N)=O)cc1	ZINC001260038806	947051299	/nfs/dbraw/zinc/05/12/99/947051299.db2.gz	YYOLYTSSDAWECE-UHFFFAOYSA-N	-1	0	316.342	0.994	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])ccn2)C1	ZINC001602702143	971329946	/nfs/dbraw/zinc/32/99/46/971329946.db2.gz	JWZYFRHHODEBHJ-LBPRGKRZSA-N	-1	0	302.334	0.999	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1nc(Cl)ccc1C#N	ZINC001260584465	947116260	/nfs/dbraw/zinc/11/62/60/947116260.db2.gz	HTDWCRRNXRYWHX-UHFFFAOYSA-N	-1	0	309.756	0.350	20	30		DCEDRM
C=C[C@H](C)NC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001602717523	971368612	/nfs/dbraw/zinc/36/86/12/971368612.db2.gz	PVICBBNNZUWWKT-WDEREUQCSA-N	-1	0	309.366	0.668	20	30		DCEDRM
CC1(C)NC(=O)N(CC(=O)Nc2cc(C#N)ccc2[O-])C1=O	ZINC001324494957	947440339	/nfs/dbraw/zinc/44/03/39/947440339.db2.gz	ZQIDQUQBCQIISF-UHFFFAOYSA-N	-1	0	302.290	0.533	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC001602722989	971392309	/nfs/dbraw/zinc/39/23/09/971392309.db2.gz	FIWGIWCQTDAPLH-BONVTDFDSA-N	-1	0	324.333	0.741	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1	ZINC001602723096	971393009	/nfs/dbraw/zinc/39/30/09/971393009.db2.gz	LOEUTMQNMDCJKL-NSHDSACASA-N	-1	0	306.318	0.350	20	30		DCEDRM
C=CC[C@H](NC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(=O)[O-]	ZINC001325146812	947680758	/nfs/dbraw/zinc/68/07/58/947680758.db2.gz	SENXHUPZWVOSOW-JTQLQIEISA-N	-1	0	304.306	0.019	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](COC)C1	ZINC001262969582	947791722	/nfs/dbraw/zinc/79/17/22/947791722.db2.gz	MEDZZPIGTDVXMK-JTQLQIEISA-N	-1	0	304.354	0.161	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccnc2c1nnn2C	ZINC001263382069	947836610	/nfs/dbraw/zinc/83/66/10/947836610.db2.gz	MKFFCVVZJGULCG-VIFPVBQESA-N	-1	0	309.289	0.302	20	30		DCEDRM
CN(C)S(=O)(=O)[N-]c1sc2c(c1C#N)CCN(C)C2	ZINC001251051785	948053400	/nfs/dbraw/zinc/05/34/00/948053400.db2.gz	PQXVFZFWRMNYDR-UHFFFAOYSA-N	-1	0	300.409	0.826	20	30		DCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC001326757409	948269138	/nfs/dbraw/zinc/26/91/38/948269138.db2.gz	QCIMBXAHFXFHAD-UHFFFAOYSA-N	-1	0	312.351	0.554	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001327116858	948399796	/nfs/dbraw/zinc/39/97/96/948399796.db2.gz	YIBFMQATYXZRDK-ABAIWWIYSA-N	-1	0	323.397	0.308	20	30		DCEDRM
C[C@H](CC#N)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001327443574	948514415	/nfs/dbraw/zinc/51/44/15/948514415.db2.gz	AEQCCKYUODWZOO-MRVPVSSYSA-N	-1	0	307.310	0.060	20	30		DCEDRM
C=CCCCC(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1	ZINC001327593540	948563000	/nfs/dbraw/zinc/56/30/00/948563000.db2.gz	XDLJIJBIDLFJRY-OAHLLOKOSA-N	-1	0	323.397	0.310	20	30		DCEDRM
CC1(C)CC[C@@H](CO)N(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001570918295	948570658	/nfs/dbraw/zinc/57/06/58/948570658.db2.gz	BPULTEXTNUDEOD-VIFPVBQESA-N	-1	0	314.353	0.516	20	30		DCEDRM
Cc1ncc(CN(C)c2cnc(C#N)c(-c3nnn[n-]3)n2)s1	ZINC001570920449	948600331	/nfs/dbraw/zinc/60/03/31/948600331.db2.gz	OCYXWAUSXUEWSD-UHFFFAOYSA-N	-1	0	313.350	0.930	20	30		DCEDRM
Cc1nnc2n1CCN(c1cnc(C#N)c(-c3nnn[n-]3)n1)[C@H]2C	ZINC001570932369	948859603	/nfs/dbraw/zinc/85/96/03/948859603.db2.gz	RZNCQPSMHSLNGE-ZETCQYMHSA-N	-1	0	323.324	0.010	20	30		DCEDRM
C=CC(C)(C)C(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1	ZINC001264366594	948938631	/nfs/dbraw/zinc/93/86/31/948938631.db2.gz	HNCBYKZANIBFSY-NSHDSACASA-N	-1	0	307.398	0.353	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(C(=O)NC)cc1C	ZINC001328729012	949055719	/nfs/dbraw/zinc/05/57/19/949055719.db2.gz	XAHMXHBOLHPYHQ-JTQLQIEISA-N	-1	0	305.334	0.915	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCO[C@@]3(CCOC3)C1)cc2=O	ZINC001364393263	949180631	/nfs/dbraw/zinc/18/06/31/949180631.db2.gz	KTSQVNWCADIYFW-HNNXBMFYSA-N	-1	0	315.333	0.298	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000160700940	949380003	/nfs/dbraw/zinc/38/00/03/949380003.db2.gz	OCDSGMXSZOHURY-UHFFFAOYSA-N	-1	0	312.734	0.920	20	30		DCEDRM
C[C@H](NCC#N)[C@H](C)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001329202469	949432252	/nfs/dbraw/zinc/43/22/52/949432252.db2.gz	KOIVSXGPEFJOHU-YUMQZZPRSA-N	-1	0	308.304	0.450	20	30		DCEDRM
CCc1ccc([C@@H](COC)Nc2[n-]c(=O)n(C)c(=O)c2C#N)o1	ZINC001364533061	949505801	/nfs/dbraw/zinc/50/58/01/949505801.db2.gz	NPRRTBDZTYDCOJ-LLVKDONJSA-N	-1	0	318.333	0.900	20	30		DCEDRM
CCOC(=O)C1(CNc2[n-]c(=O)n(C)c(=O)c2C#N)CCC1	ZINC001364534791	949511545	/nfs/dbraw/zinc/51/15/45/949511545.db2.gz	QYFUNOIAHOWSKP-UHFFFAOYSA-N	-1	0	306.322	0.091	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC2(CCNC2=O)CC1	ZINC001364712126	949794030	/nfs/dbraw/zinc/79/40/30/949794030.db2.gz	GMLNUGUFORZDPX-UHFFFAOYSA-N	-1	0	314.345	0.710	20	30		DCEDRM
COCC[C@H]1COCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364712712	949795045	/nfs/dbraw/zinc/79/50/45/949795045.db2.gz	GPMSJXLHFZAHMQ-ZDUSSCGKSA-N	-1	0	317.349	0.544	20	30		DCEDRM
O=C([O-])[C@@H]1CC(=O)N(CN2CCC3(CC2)CC(=O)C=CO3)C1	ZINC001595279996	949965398	/nfs/dbraw/zinc/96/53/98/949965398.db2.gz	HMZBIIKAPUVIGE-LLVKDONJSA-N	-1	0	308.334	0.215	20	30		DCEDRM
Cn1[n-]c(C(=O)N2CCc3c(C#N)c(N)sc3C2)cc1=O	ZINC001365120407	950552247	/nfs/dbraw/zinc/55/22/47/950552247.db2.gz	LDRUADQJRZDOQI-UHFFFAOYSA-N	-1	0	303.347	0.840	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)cc1	ZINC001330779139	950652528	/nfs/dbraw/zinc/65/25/28/950652528.db2.gz	RTZJURMRPBMGGH-UHFFFAOYSA-N	-1	0	314.330	0.991	20	30		DCEDRM
Cc1cc(NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)sn1	ZINC001365202099	950725815	/nfs/dbraw/zinc/72/58/15/950725815.db2.gz	QVFYKVQZJNQILM-UHFFFAOYSA-N	-1	0	320.334	0.407	20	30		DCEDRM
N#Cc1cn(C2CN(c3c(C#N)cccc3C#N)C2)c(=O)[n-]c1=O	ZINC001365235834	950785475	/nfs/dbraw/zinc/78/54/75/950785475.db2.gz	DFUPPRVGXXRYOR-UHFFFAOYSA-N	-1	0	318.296	0.625	20	30		DCEDRM
O=C([O-])CC1(C(=O)NCC#C[C@@H]2CCCCO2)CCOCC1	ZINC001594973757	950892417	/nfs/dbraw/zinc/89/24/17/950892417.db2.gz	FYTVJULXSSSPAS-ZDUSSCGKSA-N	-1	0	309.362	0.947	20	30		DCEDRM
O=C(C#CC1CC1)N[C@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001490590541	950913774	/nfs/dbraw/zinc/91/37/74/950913774.db2.gz	OOWNQTMIYXAHKI-LBPRGKRZSA-N	-1	0	315.377	0.394	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NC2CCCCCC2)c(=O)[n-]c1=O	ZINC001365304126	950918822	/nfs/dbraw/zinc/91/88/22/950918822.db2.gz	LSHLEGWDBIXWDP-UHFFFAOYSA-N	-1	0	319.365	0.843	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@]1(C)OCCc2ccccc21	ZINC001331482590	951139326	/nfs/dbraw/zinc/13/93/26/951139326.db2.gz	XNOZAIATJVNAAU-OAHLLOKOSA-N	-1	0	307.371	0.944	20	30		DCEDRM
Cc1nc2c(c(=O)[nH]1)CN(S(=O)(=O)N(C)C[C@@H](C)C#N)C2	ZINC001365458553	951151677	/nfs/dbraw/zinc/15/16/77/951151677.db2.gz	BSFZWHIKTDYUCU-QMMMGPOBSA-N	-1	0	311.367	0.143	20	30		DCEDRM
Cc1oc(C(N)=O)cc1S(=O)(=O)[N-]c1cccc(CC#N)n1	ZINC001365464126	951157063	/nfs/dbraw/zinc/15/70/63/951157063.db2.gz	PIHZCRMVKPXWTO-UHFFFAOYSA-N	-1	0	320.330	0.949	20	30		DCEDRM
N#CCc1cccc([N-]S(=O)(=O)c2cnn3c2OCCC3)n1	ZINC001365463491	951157152	/nfs/dbraw/zinc/15/71/52/951157152.db2.gz	DATQYVIQLGPDJM-UHFFFAOYSA-N	-1	0	319.346	0.927	20	30		DCEDRM
C=CC[C@H](NC(=O)CN1CCN(c2ccccn2)CC1)C(=O)[O-]	ZINC001332135607	951494012	/nfs/dbraw/zinc/49/40/12/951494012.db2.gz	KACURPIHXLOPED-ZDUSSCGKSA-N	-1	0	318.377	0.349	20	30		DCEDRM
CN(C)C(=O)[C@H]1CC12CN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001274661045	951775140	/nfs/dbraw/zinc/77/51/40/951775140.db2.gz	FALBIZZPFPUCOA-CYBMUJFWSA-N	-1	0	301.366	0.973	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)CCCc2nnn[n-]2)CC1	ZINC001411732187	952415433	/nfs/dbraw/zinc/41/54/33/952415433.db2.gz	DCVAPGLOWGNYER-GFCCVEGCSA-N	-1	0	305.386	0.215	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21	ZINC001411903512	952526770	/nfs/dbraw/zinc/52/67/70/952526770.db2.gz	SFTPGGRTZDVHDR-RYUDHWBXSA-N	-1	0	314.345	0.851	20	30		DCEDRM
CCc1ccccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412372496	952765432	/nfs/dbraw/zinc/76/54/32/952765432.db2.gz	IVSDJDGSHKNTAI-UHFFFAOYSA-N	-1	0	312.329	0.813	20	30		DCEDRM
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412372793	952765719	/nfs/dbraw/zinc/76/57/19/952765719.db2.gz	MMTKETPAXHMSOR-GHMZBOCLSA-N	-1	0	320.349	0.140	20	30		DCEDRM
CO[C@@H]1COCC[C@H]1N(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412512385	952858819	/nfs/dbraw/zinc/85/88/19/952858819.db2.gz	FPNIXRSJUQYDOF-VXGBXAGGSA-N	-1	0	305.334	0.843	20	30		DCEDRM
N#Cc1cc(C(=O)N2CC3(C2)CC[C@H](C(N)=O)O3)ccc1[O-]	ZINC001276156588	952952996	/nfs/dbraw/zinc/95/29/96/952952996.db2.gz	VEZOIPHXPDOUDJ-GFCCVEGCSA-N	-1	0	301.302	0.123	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	ZINC001339523365	953099851	/nfs/dbraw/zinc/09/98/51/953099851.db2.gz	HVFYDSSLSYLORX-GFCCVEGCSA-N	-1	0	314.382	0.117	20	30		DCEDRM
C=CCCc1ccccc1NC(=O)C(=O)NCC(=O)[N-]OC	ZINC001340250928	953157564	/nfs/dbraw/zinc/15/75/64/953157564.db2.gz	BYXMDXKKOHWTBA-UHFFFAOYSA-N	-1	0	305.334	0.538	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](C)[C@@H](F)C1	ZINC001342241710	953278221	/nfs/dbraw/zinc/27/82/21/953278221.db2.gz	RWAMMPIVVTYYPM-ZJUUUORDSA-N	-1	0	306.345	0.872	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCCO[C@H](C)C1	ZINC001342241713	953278408	/nfs/dbraw/zinc/27/84/08/953278408.db2.gz	RYDXNWUZWZWIDD-SNVBAGLBSA-N	-1	0	304.354	0.303	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCCO[C@@H](C)C1	ZINC001342241712	953278790	/nfs/dbraw/zinc/27/87/90/953278790.db2.gz	RYDXNWUZWZWIDD-JTQLQIEISA-N	-1	0	304.354	0.303	20	30		DCEDRM
COC(=O)CC[C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC001343004837	953318016	/nfs/dbraw/zinc/31/80/16/953318016.db2.gz	MBSFNFOQTJDEGR-VIFPVBQESA-N	-1	0	306.340	0.006	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1	ZINC001589281101	953515319	/nfs/dbraw/zinc/51/53/19/953515319.db2.gz	QTWDTXIHOQKKQA-ZJUUUORDSA-N	-1	0	315.333	0.849	20	30		DCEDRM
O=C([O-])c1cc(C(=O)NCc2ccc(C(=O)NO)cc2)[nH]n1	ZINC001594781057	953629190	/nfs/dbraw/zinc/62/91/90/953629190.db2.gz	DYVRGNXANSQXIU-UHFFFAOYSA-N	-1	0	304.262	0.157	20	30		DCEDRM
C#C[C@H](C)N(C)c1nnc(-c2cc(=O)[nH]c(C)n2)n1CCOC	ZINC001345786159	953733989	/nfs/dbraw/zinc/73/39/89/953733989.db2.gz	PSWCIKAGMJNQPJ-JTQLQIEISA-N	-1	0	316.365	0.853	20	30		DCEDRM
Cc1oc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1S(C)(=O)=O	ZINC001346122163	953804709	/nfs/dbraw/zinc/80/47/09/953804709.db2.gz	VJZJHENWHOAGHO-JTQLQIEISA-N	-1	0	324.358	0.936	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(CCC(N)=O)cc1	ZINC001346206549	953823363	/nfs/dbraw/zinc/82/33/63/953823363.db2.gz	GYIWIKSOTFLEKA-JTQLQIEISA-N	-1	0	305.334	0.665	20	30		DCEDRM
O=C(CC#Cc1ccccc1)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC001283344989	954274179	/nfs/dbraw/zinc/27/41/79/954274179.db2.gz	AQQVOYOHJLUJCG-CQSZACIVSA-N	-1	0	323.356	0.577	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]n2cnc3ccccc3c2=O)nn1	ZINC001348497830	954329824	/nfs/dbraw/zinc/32/98/24/954329824.db2.gz	OPVVKPPUCPLDTD-UHFFFAOYSA-N	-1	0	310.317	0.948	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2cn[nH]n2)C1	ZINC001284141263	954873041	/nfs/dbraw/zinc/87/30/41/954873041.db2.gz	MMCOVIGKGOOFLF-CHWSQXEVSA-N	-1	0	317.393	0.965	20	30		DCEDRM
C=CCC1(O)CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1	ZINC001350583371	955139611	/nfs/dbraw/zinc/13/96/11/955139611.db2.gz	LUXBLHGGAIBZFM-VIFPVBQESA-N	-1	0	308.300	0.839	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001593835555	955177831	/nfs/dbraw/zinc/17/78/31/955177831.db2.gz	BBUPBXZJQOTDBF-MNOVXSKESA-N	-1	0	312.322	0.172	20	30		DCEDRM
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCC(=O)[N-]OC	ZINC001351644205	955368030	/nfs/dbraw/zinc/36/80/30/955368030.db2.gz	CDHBPNVAGISNAB-UHFFFAOYSA-N	-1	0	319.361	0.385	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])c1nc2ncccc2cc1C#N	ZINC001593843400	955385612	/nfs/dbraw/zinc/38/56/12/955385612.db2.gz	YLXKLDNIBWDVGL-UHFFFAOYSA-N	-1	0	314.301	0.956	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001593846852	955428142	/nfs/dbraw/zinc/42/81/42/955428142.db2.gz	ZLCRVFMFKSHPPD-WCQYABFASA-N	-1	0	320.301	0.114	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)N[C@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC001594588744	956025713	/nfs/dbraw/zinc/02/57/13/956025713.db2.gz	JRSNRJLIIIUXSO-HTQZYQBOSA-N	-1	0	319.243	0.690	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)NCc2cccc(C(=O)[O-])c2)C1	ZINC001594606562	956184815	/nfs/dbraw/zinc/18/48/15/956184815.db2.gz	VSNNMVAQIOHOMJ-HNNXBMFYSA-N	-1	0	303.318	0.945	20	30		DCEDRM
N#CCN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ccccn1	ZINC001594609879	956196022	/nfs/dbraw/zinc/19/60/22/956196022.db2.gz	COMJRVNKCJOOIA-LLVKDONJSA-N	-1	0	316.317	0.261	20	30		DCEDRM
N#CCCN1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1	ZINC001594610449	956204064	/nfs/dbraw/zinc/20/40/64/956204064.db2.gz	TUZQQPAXTHUPRY-UHFFFAOYSA-N	-1	0	317.345	0.821	20	30		DCEDRM
N#CCc1ccc(Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)cc1	ZINC001594611724	956219087	/nfs/dbraw/zinc/21/90/87/956219087.db2.gz	ZVMBWAGUCMHDOY-UHFFFAOYSA-N	-1	0	324.296	0.081	20	30		DCEDRM
N#Cc1c(N)sc2c1CCN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)C2	ZINC001594614320	956230842	/nfs/dbraw/zinc/23/08/42/956230842.db2.gz	RACZKBBIVVBKFS-SECBINFHSA-N	-1	0	320.330	0.316	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N(CC(=O)[O-])C2CCOCC2)cc1	ZINC001594617996	956257963	/nfs/dbraw/zinc/25/79/63/956257963.db2.gz	WUMVDRTUSHYDOM-HNNXBMFYSA-N	-1	0	318.329	0.684	20	30		DCEDRM
N#Cc1cccc([C@@H](NCC(=O)NCC(=O)[O-])C(F)(F)F)c1	ZINC001594626147	956315631	/nfs/dbraw/zinc/31/56/31/956315631.db2.gz	UMHJIZXRXPVVJN-GFCCVEGCSA-N	-1	0	315.251	0.952	20	30		DCEDRM
N#Cc1cccc(CNC(=O)C(=O)NCCCCC(=O)[O-])c1	ZINC001594626082	956316127	/nfs/dbraw/zinc/31/61/27/956316127.db2.gz	SVMDMKISKNBEKV-UHFFFAOYSA-N	-1	0	303.318	0.546	20	30		DCEDRM
N#Cc1cccc(NC(=O)CCN2CCOC[C@@H]2C(=O)[O-])c1	ZINC001594628364	956329298	/nfs/dbraw/zinc/32/92/98/956329298.db2.gz	MXCNEPJNDGPTBG-CYBMUJFWSA-N	-1	0	303.318	0.672	20	30		DCEDRM
N#Cc1cccnc1-n1cc(CN2CCC(C(=O)[O-])CC2)nn1	ZINC001594631829	956346788	/nfs/dbraw/zinc/34/67/88/956346788.db2.gz	LMODPUKMJUEWFQ-UHFFFAOYSA-N	-1	0	312.333	0.831	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(Cc2ccnc(Cl)c2)c1=O	ZINC001594633056	956356155	/nfs/dbraw/zinc/35/61/55/956356155.db2.gz	KTXDDCMECFHDEF-UHFFFAOYSA-N	-1	0	320.692	0.063	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001354343991	956357308	/nfs/dbraw/zinc/35/73/08/956357308.db2.gz	HPEUFFJMDQQRET-VIFPVBQESA-N	-1	0	310.354	0.251	20	30		DCEDRM
C[C@H](OC(=O)COCC(=O)[O-])C(=O)Nc1ccccc1C#N	ZINC001589159270	956393815	/nfs/dbraw/zinc/39/38/15/956393815.db2.gz	JKVUASOTRDKTHJ-VIFPVBQESA-N	-1	0	306.274	0.530	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)CNc2ccc(C#N)cc2)C1	ZINC001593961393	956485652	/nfs/dbraw/zinc/48/56/52/956485652.db2.gz	AIJIJDCDZGXXRZ-INIZCTEOSA-N	-1	0	317.345	0.920	20	30		DCEDRM
CC(C)(C(=O)[O-])n1ccc(NC(=O)N2CCO[C@](C)(C#N)C2)n1	ZINC001589182268	956535075	/nfs/dbraw/zinc/53/50/75/956535075.db2.gz	XANLZORKWUELHV-CQSZACIVSA-N	-1	0	321.337	0.849	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC([C@H](C)NC(=O)c2cn[nH]n2)CC1	ZINC001288277912	956614245	/nfs/dbraw/zinc/61/42/45/956614245.db2.gz	OONBCGSBHXUVED-LBPRGKRZSA-N	-1	0	317.393	0.821	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC001603121114	972206606	/nfs/dbraw/zinc/20/66/06/972206606.db2.gz	SNCQTNOKIKPBOM-QMMMGPOBSA-N	-1	0	323.280	0.646	20	30		DCEDRM
C[C@H](CC(=O)[O-])NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC001603126160	972214787	/nfs/dbraw/zinc/21/47/87/972214787.db2.gz	LXVRGSJVBUETGB-LLVKDONJSA-N	-1	0	317.349	0.648	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)NCc1ccc(C#N)cc1F)C(=O)[O-]	ZINC001603144824	972240843	/nfs/dbraw/zinc/24/08/43/972240843.db2.gz	IILWEHMDIWCAQJ-VIFPVBQESA-N	-1	0	321.308	0.493	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)NCc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001326844978	957333118	/nfs/dbraw/zinc/33/31/18/957333118.db2.gz	HZKPDUSRIYFUHP-JTQLQIEISA-N	-1	0	319.317	0.042	20	30		DCEDRM
C#CCN(CC#CC)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(C)C	ZINC001357919583	957403402	/nfs/dbraw/zinc/40/34/02/957403402.db2.gz	QAEWUXZRSLPGAK-UHFFFAOYSA-N	-1	0	312.377	0.621	20	30		DCEDRM
C=CCN(CC=C)C(=O)CSC[C@H](NC(C)=O)C(=O)[O-]	ZINC000069556503	957653978	/nfs/dbraw/zinc/65/39/78/957653978.db2.gz	MOCPZUSEERZMAT-NSHDSACASA-N	-1	0	300.380	0.510	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCO[C@H](CCF)C1)cc2=O	ZINC001414035137	957719656	/nfs/dbraw/zinc/71/96/56/957719656.db2.gz	MZOUPLCHQPJQRU-GFCCVEGCSA-N	-1	0	305.313	0.867	20	30		DCEDRM
C#CC1(O)CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1	ZINC001588386121	957976099	/nfs/dbraw/zinc/97/60/99/957976099.db2.gz	OFFYZSLTXKTPGV-OLZOCXBDSA-N	-1	0	300.314	0.689	20	30		DCEDRM
C#C[C@@H](C)NC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001588386519	957979486	/nfs/dbraw/zinc/97/94/86/957979486.db2.gz	BLODGZJMJWOWIU-MNOVXSKESA-N	-1	0	307.350	0.115	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001588388546	957995037	/nfs/dbraw/zinc/99/50/37/957995037.db2.gz	CGGMHSHHURWBEY-ZOWXZIJZSA-N	-1	0	310.350	0.157	20	30		DCEDRM
C#CCCCc1nnc(N2CC[C@](COC)(C(=O)[O-])C2)n1C	ZINC001588390669	958011798	/nfs/dbraw/zinc/01/17/98/958011798.db2.gz	AWWKXZKLVDIADA-HNNXBMFYSA-N	-1	0	306.366	0.699	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(F)cc(OC)c1	ZINC001588395608	958042169	/nfs/dbraw/zinc/04/21/69/958042169.db2.gz	OVXCLXGQNKSBIE-UHFFFAOYSA-N	-1	0	308.265	0.319	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC001588397807	958064185	/nfs/dbraw/zinc/06/41/85/958064185.db2.gz	VMYCZCYPYKLYSY-SRVKXCTJSA-N	-1	0	320.345	0.097	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C1([C@@H]2CCCCO2)CCOCC1	ZINC001588397929	958067339	/nfs/dbraw/zinc/06/73/39/958067339.db2.gz	YTOCNLDFAMVQAW-ZDUSSCGKSA-N	-1	0	309.362	0.899	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C1CCN(C(=O)N(CC)CC)CC1	ZINC001588398819	958069620	/nfs/dbraw/zinc/06/96/20/958069620.db2.gz	CNMOELKZGNVGAO-UHFFFAOYSA-N	-1	0	323.393	0.707	20	30		DCEDRM
CN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1nnn[n-]1	ZINC001361554801	958081933	/nfs/dbraw/zinc/08/19/33/958081933.db2.gz	OXQMAYQKKQUEAY-SNVBAGLBSA-N	-1	0	315.312	0.700	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H](NC(N)=O)c1ccccc1C	ZINC001588402212	958090027	/nfs/dbraw/zinc/09/00/27/958090027.db2.gz	OWEMSQSJWNZYKQ-CYBMUJFWSA-N	-1	0	317.345	0.641	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1ccc(S(C)(=O)=O)cc1	ZINC001588402457	958092000	/nfs/dbraw/zinc/09/20/00/958092000.db2.gz	VGMGWHNMXHXQON-UHFFFAOYSA-N	-1	0	323.370	0.569	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CC1CCN(CC(F)F)CC1	ZINC001588402538	958093714	/nfs/dbraw/zinc/09/37/14/958093714.db2.gz	WZNIEZLUVCTNSJ-UHFFFAOYSA-N	-1	0	302.321	0.900	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCN1C[C@@H]2CCCCN2C1=O	ZINC001588408448	958110113	/nfs/dbraw/zinc/11/01/13/958110113.db2.gz	NMYBPYNSTYSBML-LBPRGKRZSA-N	-1	0	322.365	0.006	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCN(c2ccccc2)C1=O	ZINC001588409799	958132640	/nfs/dbraw/zinc/13/26/40/958132640.db2.gz	KIZRHBWCRZWHEB-ZDUSSCGKSA-N	-1	0	315.329	0.521	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC(=O)N(C)C1CCCCC1	ZINC001588410295	958137047	/nfs/dbraw/zinc/13/70/47/958137047.db2.gz	SCPKDAVSKCTMHV-UHFFFAOYSA-N	-1	0	309.366	0.507	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H](OCC)[C@H]1n1cccn1	ZINC001588410703	958142909	/nfs/dbraw/zinc/14/29/09/958142909.db2.gz	YVYHQEKGJFQZLF-DYEKYZERSA-N	-1	0	320.349	0.331	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)CCc1ccccc1	ZINC001588417394	958173120	/nfs/dbraw/zinc/17/31/20/958173120.db2.gz	LWEFCOFGURZKOG-CYBMUJFWSA-N	-1	0	316.357	0.670	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC001588419874	958196851	/nfs/dbraw/zinc/19/68/51/958196851.db2.gz	FWALIKZTNIHOJJ-JTQLQIEISA-N	-1	0	305.290	0.942	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CO)n1CCc1ccccc1	ZINC001588427008	958238257	/nfs/dbraw/zinc/23/82/57/958238257.db2.gz	JYEQOZXMPZIYMB-UHFFFAOYSA-N	-1	0	314.345	0.537	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(C)(C)O)n1C[C@H]1CCCO1	ZINC001588427264	958242677	/nfs/dbraw/zinc/24/26/77/958242677.db2.gz	RRKUTNSJGQKESH-LLVKDONJSA-N	-1	0	322.365	0.209	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	ZINC001588431003	958263792	/nfs/dbraw/zinc/26/37/92/958263792.db2.gz	RQFFBQRBRHAHRR-CYBMUJFWSA-N	-1	0	323.393	0.265	20	30		DCEDRM
CC(=O)N1CCCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001463823404	1013169989	/nfs/dbraw/zinc/16/99/89/1013169989.db2.gz	FXCKVDNJAXZPOH-UHFFFAOYSA-N	-1	0	302.334	0.662	20	30		DCEDRM
C=C(C)Cn1c(CCO)nnc1N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC001588441397	958336797	/nfs/dbraw/zinc/33/67/97/958336797.db2.gz	BXOUOWZPARAZJB-RYUDHWBXSA-N	-1	0	308.382	0.936	20	30		DCEDRM
C=C(C)C[C@@H](CO)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001588443007	958349591	/nfs/dbraw/zinc/34/95/91/958349591.db2.gz	XEHNQWJIYXYEMU-NSHDSACASA-N	-1	0	300.355	0.494	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2cnn(C(F)F)c2)c(=O)[n-]c1=O	ZINC001361876092	958434768	/nfs/dbraw/zinc/43/47/68/958434768.db2.gz	LMRZOERRNHYKIQ-UHFFFAOYSA-N	-1	0	324.247	0.441	20	30		DCEDRM
C=CCCC(C)(C)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588456949	958441138	/nfs/dbraw/zinc/44/11/38/958441138.db2.gz	CKBJPOXQTGTYCP-UHFFFAOYSA-N	-1	0	308.338	0.767	20	30		DCEDRM
C=CCC1(COC(=O)c2cn(CC(=O)[O-])nn2)CCOCC1	ZINC001588457546	958450767	/nfs/dbraw/zinc/45/07/67/958450767.db2.gz	DPQZGWXYUBJFJA-UHFFFAOYSA-N	-1	0	309.322	0.892	20	30		DCEDRM
C=CCCCN(C)C(=O)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001588458807	958465035	/nfs/dbraw/zinc/46/50/35/958465035.db2.gz	SSXGOBIVPCUXMZ-UHFFFAOYSA-N	-1	0	312.366	0.409	20	30		DCEDRM
COc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c(C)c1	ZINC001361903070	958468443	/nfs/dbraw/zinc/46/84/43/958468443.db2.gz	IYNDOXRLTWBVLA-UHFFFAOYSA-N	-1	0	314.301	0.776	20	30		DCEDRM
CCN(C[C@H]1CCOC1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361924278	958495511	/nfs/dbraw/zinc/49/55/11/958495511.db2.gz	NMXUBOKFOTYMAB-LLVKDONJSA-N	-1	0	320.349	0.096	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC001588465444	958504032	/nfs/dbraw/zinc/50/40/32/958504032.db2.gz	JYIPVKFTVNQYAU-STQMWFEESA-N	-1	0	317.345	0.901	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN[C@](C)(C(=O)[O-])c1ccccc1	ZINC001588465511	958505211	/nfs/dbraw/zinc/50/52/11/958505211.db2.gz	PCQVCLRSEWHOSH-HNNXBMFYSA-N	-1	0	305.334	0.588	20	30		DCEDRM
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588470394	958526689	/nfs/dbraw/zinc/52/66/89/958526689.db2.gz	LWUKBJMIBFVGDC-JTQLQIEISA-N	-1	0	317.353	0.479	20	30		DCEDRM
C=CCn1c(C)nn(CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1=S	ZINC001588472567	958545536	/nfs/dbraw/zinc/54/55/36/958545536.db2.gz	PCDWGKCCIBJJLN-BXUZGUMPSA-N	-1	0	324.406	0.899	20	30		DCEDRM
C=CCn1nnn(CN2CC[C@](COC)(C(=O)[O-])C2)c1=S	ZINC001588474752	958558552	/nfs/dbraw/zinc/55/85/52/958558552.db2.gz	OVHHFIDYLAKHEL-LBPRGKRZSA-N	-1	0	313.383	0.376	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c(=O)[n-]c1=O	ZINC001361978481	958565405	/nfs/dbraw/zinc/56/54/05/958565405.db2.gz	HZLCCOXTBYYVDB-TZMCWYRMSA-N	-1	0	324.340	0.568	20	30		DCEDRM
CCCn1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001362003767	958592116	/nfs/dbraw/zinc/59/21/16/958592116.db2.gz	PPLUALWNTJKTFB-UHFFFAOYSA-N	-1	0	302.294	0.066	20	30		DCEDRM
CS[C@H]1CC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362006416	958596395	/nfs/dbraw/zinc/59/63/95/958596395.db2.gz	BXIUTUWFHIBXPQ-UWVGGRQHSA-N	-1	0	308.363	0.221	20	30		DCEDRM
COC1CCC(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362070444	958687245	/nfs/dbraw/zinc/68/72/45/958687245.db2.gz	VXPXSLNPSOAAPK-UHFFFAOYSA-N	-1	0	320.349	0.142	20	30		DCEDRM
CCNC(=O)N1CC[C@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362083614	958706818	/nfs/dbraw/zinc/70/68/18/958706818.db2.gz	QKRFZKBKJYKNFB-NSHDSACASA-N	-1	0	317.349	0.501	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)CN1CCCC1=O	ZINC001362097029	958729320	/nfs/dbraw/zinc/72/93/20/958729320.db2.gz	DDCYLRKHUDBEGD-SNVBAGLBSA-N	-1	0	302.334	0.708	20	30		DCEDRM
COc1ncccc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362125755	958780555	/nfs/dbraw/zinc/78/05/55/958780555.db2.gz	LCKBTDHRQUKZOW-UHFFFAOYSA-N	-1	0	315.289	0.253	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)[C@@H]1CN(C)CCO1	ZINC001362133471	958793482	/nfs/dbraw/zinc/79/34/82/958793482.db2.gz	ZEQHBPFIDDIELR-PWSUYJOCSA-N	-1	0	304.350	0.416	20	30		DCEDRM
CN(C[C@H]1CCCOC1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362162022	958851701	/nfs/dbraw/zinc/85/17/01/958851701.db2.gz	UPTQEBDJWCQALR-LLVKDONJSA-N	-1	0	320.349	0.096	20	30		DCEDRM
CCS[C@@H]1CCC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362219363	958949401	/nfs/dbraw/zinc/94/94/01/958949401.db2.gz	POQKTMKGMVCMNU-GHMZBOCLSA-N	-1	0	322.390	0.611	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H](CO)[C@H]2CCOC2)cc1C#N	ZINC001362278784	959060080	/nfs/dbraw/zinc/06/00/80/959060080.db2.gz	JDSVKHNEXQUWRB-GZMMTYOYSA-N	-1	0	323.374	0.508	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCC1(O)CCOCC1	ZINC001362429052	959335360	/nfs/dbraw/zinc/33/53/60/959335360.db2.gz	HMBOEQDYIUGIOW-UHFFFAOYSA-N	-1	0	305.334	0.629	20	30		DCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC001594217820	959342765	/nfs/dbraw/zinc/34/27/65/959342765.db2.gz	BDSOAMALGGGQOJ-ZWNOBZJWSA-N	-1	0	315.329	0.752	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](O)c1cnn(C)c1	ZINC001362435747	959353124	/nfs/dbraw/zinc/35/31/24/959353124.db2.gz	STQFBKHBRZVEBK-LLVKDONJSA-N	-1	0	301.306	0.164	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](O)COCC1CC1	ZINC001362444948	959369800	/nfs/dbraw/zinc/36/98/00/959369800.db2.gz	HUZHUZIRKDIVDS-LBPRGKRZSA-N	-1	0	305.334	0.485	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCc3c2cccc3F)c(=O)[n-]c1=O	ZINC001362457389	959396290	/nfs/dbraw/zinc/39/62/90/959396290.db2.gz	BWKKEWYZVGJZEX-UHFFFAOYSA-N	-1	0	314.276	0.549	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2(C3CCC3)CCC2)c(=O)[n-]c1=O	ZINC001362531324	959533277	/nfs/dbraw/zinc/53/32/77/959533277.db2.gz	CBNJMLBGJUQMHY-UHFFFAOYSA-N	-1	0	302.334	0.660	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCCNC(=O)C#CC2CC2)c1[O-]	ZINC001492347507	959915689	/nfs/dbraw/zinc/91/56/89/959915689.db2.gz	LGKPOJVRZGNIJN-UHFFFAOYSA-N	-1	0	304.350	0.415	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N(C)Cc2nncn2C)cc1C#N	ZINC001362788156	959987399	/nfs/dbraw/zinc/98/73/99/959987399.db2.gz	SCHZLPBPFAHUPP-UHFFFAOYSA-N	-1	0	318.362	0.781	20	30		DCEDRM
CN(OCC(F)(F)F)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001301717059	960009559	/nfs/dbraw/zinc/00/95/59/960009559.db2.gz	QJWVWJOLKZMXLC-UHFFFAOYSA-N	-1	0	320.227	0.163	20	30		DCEDRM
COc1cnc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001362817260	960035951	/nfs/dbraw/zinc/03/59/51/960035951.db2.gz	OOMPYBRBDDOYJN-UHFFFAOYSA-N	-1	0	321.318	0.314	20	30		DCEDRM
N#CC[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(F)(F)F	ZINC001362934107	960195213	/nfs/dbraw/zinc/19/52/13/960195213.db2.gz	BLMQPHHFZVEKPW-LURJTMIESA-N	-1	0	307.232	0.430	20	30		DCEDRM
CC(C)[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001362998498	960278267	/nfs/dbraw/zinc/27/82/67/960278267.db2.gz	GLZAJWDCJRSMPE-ZDUSSCGKSA-N	-1	0	304.350	0.761	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2CC3(CC3(F)F)C2)c(=O)[n-]c1=O	ZINC001363032284	960322485	/nfs/dbraw/zinc/32/24/85/960322485.db2.gz	BEDFAPOHOYKLDT-UHFFFAOYSA-N	-1	0	310.260	0.125	20	30		DCEDRM
C[C@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccncc1	ZINC001363130585	960446245	/nfs/dbraw/zinc/44/62/45/960446245.db2.gz	YVPDBLUIYHIRQN-JTQLQIEISA-N	-1	0	313.317	0.135	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H](O)CCc2ccccc2)c(C#N)c1=O	ZINC001363143096	960468530	/nfs/dbraw/zinc/46/85/30/960468530.db2.gz	KRZHXENICCUZOV-LBPRGKRZSA-N	-1	0	314.345	0.351	20	30		DCEDRM
COCC[C@@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)C(=O)OC	ZINC001363184668	960557936	/nfs/dbraw/zinc/55/79/36/960557936.db2.gz	PKNKIJADWPDEFJ-SNVBAGLBSA-N	-1	0	307.306	0.275	20	30		DCEDRM
CN(CC(=O)[O-])Cc1cn(CCCC2(C#N)CCOCC2)nn1	ZINC001604113937	972515654	/nfs/dbraw/zinc/51/56/54/972515654.db2.gz	OZCKDWCEVXPSNQ-UHFFFAOYSA-N	-1	0	321.381	0.895	20	30		DCEDRM
CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC(=O)[O-])CC1	ZINC001588679890	960609675	/nfs/dbraw/zinc/60/96/75/960609675.db2.gz	VSJBXYZYPKAKJN-UHFFFAOYSA-N	-1	0	310.350	0.838	20	30		DCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N	ZINC001574282351	960654040	/nfs/dbraw/zinc/65/40/40/960654040.db2.gz	XAPYKGBEVORLCU-CLAHSXSESA-N	-1	0	319.321	0.167	20	30		DCEDRM
CN(C)C(=O)[C@@H]1CCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001363264683	960739658	/nfs/dbraw/zinc/73/96/58/960739658.db2.gz	CSDWNOUQZAVJCE-LBPRGKRZSA-N	-1	0	314.349	0.359	20	30		DCEDRM
CN(C[C@H](O)c1cccc(C#N)c1)[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001604125052	972531468	/nfs/dbraw/zinc/53/14/68/972531468.db2.gz	YOPNFJLCFUOWRC-KBPBESRZSA-N	-1	0	317.345	0.209	20	30		DCEDRM
Cc1nnc(N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c(C#N)c1C	ZINC001571074365	960935255	/nfs/dbraw/zinc/93/52/55/960935255.db2.gz	HZKYXENLBGRLFN-CQSZACIVSA-N	-1	0	301.306	0.775	20	30		DCEDRM
C[C@]1(C#N)CN(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CCO1	ZINC001571097347	961188346	/nfs/dbraw/zinc/18/83/46/961188346.db2.gz	WZFMKVIWKXGUTE-TVEHIPJCSA-N	-1	0	307.350	0.810	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc(=O)n(CCO)c1	ZINC001363512264	961320588	/nfs/dbraw/zinc/32/05/88/961320588.db2.gz	GOOFOCHVLGVKRD-UHFFFAOYSA-N	-1	0	314.301	0.374	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])s1	ZINC001571113176	961370243	/nfs/dbraw/zinc/37/02/43/961370243.db2.gz	WXBVIKLXOZSDPA-UHFFFAOYSA-N	-1	0	312.332	0.520	20	30		DCEDRM
CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(Cc2ccc(C#N)cc2)C1	ZINC001571116940	961403578	/nfs/dbraw/zinc/40/35/78/961403578.db2.gz	PCVXRANMGHXLMY-CABCVRRESA-N	-1	0	313.357	0.922	20	30		DCEDRM
Cc1onc(CC(=O)N[C@H](Cc2cncs2)C(=O)[O-])c1C#N	ZINC001571146092	961747024	/nfs/dbraw/zinc/74/70/24/961747024.db2.gz	RIYNTQUIGUVCBR-LLVKDONJSA-N	-1	0	320.330	0.666	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2cncc(Br)c2)c(C#N)c1=O	ZINC001363744721	961798719	/nfs/dbraw/zinc/79/87/19/961798719.db2.gz	UWNADHUTLCYOBW-UHFFFAOYSA-N	-1	0	323.106	0.895	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@H](O)[C@H](F)C2)cc1C#N	ZINC001363918084	962127443	/nfs/dbraw/zinc/12/74/43/962127443.db2.gz	UQCYTYHWZLBFIM-ZJUUUORDSA-N	-1	0	311.338	0.926	20	30		DCEDRM
CC(C)N(CCC#N)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588918737	962359018	/nfs/dbraw/zinc/35/90/18/962359018.db2.gz	DXRQXRAYPGBPGK-UHFFFAOYSA-N	-1	0	307.310	0.057	20	30		DCEDRM
C#CCCCCC(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001573302081	962644609	/nfs/dbraw/zinc/64/46/09/962644609.db2.gz	PQXXNAQNUJJKEZ-LLVKDONJSA-N	-1	0	304.350	0.707	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)c1ccccc1	ZINC001573302827	962663210	/nfs/dbraw/zinc/66/32/10/962663210.db2.gz	QTOBBCRBGFRNRY-JTQLQIEISA-N	-1	0	305.315	0.761	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001573302935	962667040	/nfs/dbraw/zinc/66/70/40/962667040.db2.gz	HPMSHYCLFWJMJJ-NSHDSACASA-N	-1	0	304.350	0.564	20	30		DCEDRM
C=C(Br)CN1CC[C@H](N(C)C(=O)CNC(=O)[O-])C1	ZINC001573313104	962726038	/nfs/dbraw/zinc/72/60/38/962726038.db2.gz	BKTPFDSQZWLDPW-VIFPVBQESA-N	-1	0	320.187	0.695	20	30		DCEDRM
C=C(Br)CN1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573313406	962729772	/nfs/dbraw/zinc/72/97/72/962729772.db2.gz	HCEHWPUBNMEGBR-ZJUUUORDSA-N	-1	0	317.183	0.758	20	30		DCEDRM
N#CCCN(C(=O)Cn1c(=O)[n-]cc(C#N)c1=O)c1ccccc1	ZINC001364292356	962837966	/nfs/dbraw/zinc/83/79/66/962837966.db2.gz	ZSIIBHMMVZETLA-UHFFFAOYSA-N	-1	0	323.312	0.355	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(c2nc(N)ns2)CC1	ZINC001573332798	962843101	/nfs/dbraw/zinc/84/31/01/962843101.db2.gz	SAVKSIAENINIBK-UHFFFAOYSA-N	-1	0	311.367	0.190	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC001573339370	962888980	/nfs/dbraw/zinc/88/89/80/962888980.db2.gz	RJYKMGFYAVIPSX-VXGBXAGGSA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=C(Cl)CN1CC2(C1)CC[C@@H](CNC(=O)CNC(=O)[O-])O2	ZINC001573339692	962895126	/nfs/dbraw/zinc/89/51/26/962895126.db2.gz	WBYLLBKOXQFKKG-JTQLQIEISA-N	-1	0	317.773	0.356	20	30		DCEDRM
C=C(Cl)CN1CC2(C1)CC[C@H](CNC(=O)CNC(=O)[O-])O2	ZINC001573339693	962895148	/nfs/dbraw/zinc/89/51/48/962895148.db2.gz	WBYLLBKOXQFKKG-SNVBAGLBSA-N	-1	0	317.773	0.356	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)C1	ZINC001573343541	962905623	/nfs/dbraw/zinc/90/56/23/962905623.db2.gz	HFHZWYQPZCNQEG-KXNHARMFSA-N	-1	0	306.362	0.827	20	30		DCEDRM
C=C[C@H](C(=O)NC[C@@H](C)NC(=O)CNC(=O)[O-])c1ccccc1	ZINC001573344995	962922957	/nfs/dbraw/zinc/92/29/57/962922957.db2.gz	CSQXCPIZWJGJNZ-YPMHNXCESA-N	-1	0	319.361	0.845	20	30		DCEDRM
C=CCCn1cc(C(=O)N(C)[C@@H](COC2CCC2)C(=O)[O-])nn1	ZINC001573360059	963031134	/nfs/dbraw/zinc/03/11/34/963031134.db2.gz	FLHMLDXUYSDJRR-ZDUSSCGKSA-N	-1	0	322.365	0.949	20	30		DCEDRM
C=CCN1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)C1	ZINC001573368292	963077637	/nfs/dbraw/zinc/07/76/37/963077637.db2.gz	LTOUTFYKVYDRPY-KGLIPLIRSA-N	-1	0	308.378	0.585	20	30		DCEDRM
C=CCOCC(=O)N1C[C@H](Nc2ncc(C(=O)[O-])cn2)[C@@H](C)C1	ZINC001573368645	963084208	/nfs/dbraw/zinc/08/42/08/963084208.db2.gz	ISCGTLMZAJPMAX-JQWIXIFHSA-N	-1	0	320.349	0.636	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccncc1NC(C)=O)C(=O)[O-]	ZINC001573368946	963089253	/nfs/dbraw/zinc/08/92/53/963089253.db2.gz	LWNBQFBPXDYOMD-LBPRGKRZSA-N	-1	0	307.306	0.426	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000312437842	963561954	/nfs/dbraw/zinc/56/19/54/963561954.db2.gz	BDDPUJGRNWOCEC-LURJTMIESA-N	-1	0	305.262	0.340	20	30		DCEDRM
C[C@@](CO)(NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000313502922	963649391	/nfs/dbraw/zinc/64/93/91/963649391.db2.gz	IPGKZKFOTACXDW-NSHDSACASA-N	-1	0	318.738	0.326	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001588439701	964030995	/nfs/dbraw/zinc/03/09/95/964030995.db2.gz	FAWJJDGZQOANEE-LBPRGKRZSA-N	-1	0	302.334	0.673	20	30		DCEDRM
C#CCCCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588439864	964032019	/nfs/dbraw/zinc/03/20/19/964032019.db2.gz	HRZKBVQNOQDWBY-XUXIUFHCSA-N	-1	0	320.389	0.912	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc2nsnc21	ZINC000092479782	967595486	/nfs/dbraw/zinc/59/54/86/967595486.db2.gz	NLXXUMXBHBOOTH-UHFFFAOYSA-N	-1	0	311.344	0.400	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001609487393	970421864	/nfs/dbraw/zinc/42/18/64/970421864.db2.gz	NOXAAAZSUGRZCF-OLZOCXBDSA-N	-1	0	318.329	0.712	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001603290301	972545198	/nfs/dbraw/zinc/54/51/98/972545198.db2.gz	KNYPFWKQUSGALY-NHYWBVRUSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(C)(C#N)CC2)C1	ZINC001603290572	972547787	/nfs/dbraw/zinc/54/77/87/972547787.db2.gz	PDYXQLDVSLHSBO-HNNXBMFYSA-N	-1	0	307.350	0.462	20	30		DCEDRM
CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)COCC(=O)[O-])C1	ZINC001604196720	972640933	/nfs/dbraw/zinc/64/09/33/972640933.db2.gz	UIIOKDXYPDRYON-CQSZACIVSA-N	-1	0	317.345	0.697	20	30		DCEDRM
C[C@@H]1CCN(C(=O)NC2CCN(CC#N)CC2)C[C@@H]1C(=O)[O-]	ZINC001603417111	973125945	/nfs/dbraw/zinc/12/59/45/973125945.db2.gz	MGPVUZQBFADRLX-YPMHNXCESA-N	-1	0	308.382	0.727	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)C#Cc2ccccc2)CCO1	ZINC001604541716	973525037	/nfs/dbraw/zinc/52/50/37/973525037.db2.gz	SXPFEVUUNMWNPK-MRXNPFEDSA-N	-1	0	303.314	0.367	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)C#Cc2cccs2)CCO1	ZINC001604541728	973525421	/nfs/dbraw/zinc/52/54/21/973525421.db2.gz	TXYRTEHPPUOAOS-CQSZACIVSA-N	-1	0	309.343	0.428	20	30		DCEDRM
Cn1cc(C#N)cc1-c1nnc(N2CCC(C(=O)[O-])CC2)n1C	ZINC001605476473	973589197	/nfs/dbraw/zinc/58/91/97/973589197.db2.gz	AYTGQPWLEFWYSC-UHFFFAOYSA-N	-1	0	314.349	0.993	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccc(C#N)c(C)n2)CCO1	ZINC001604558003	973603355	/nfs/dbraw/zinc/60/33/55/973603355.db2.gz	SKGQCLSRNRZEEU-OAHLLOKOSA-N	-1	0	319.317	0.204	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)N[C@H](CC#N)C(F)(F)F	ZINC001604597049	973690756	/nfs/dbraw/zinc/69/07/56/973690756.db2.gz	YBCKSLMYQXNCCD-MRVPVSSYSA-N	-1	0	311.260	0.964	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@H]2C(=O)OCC(=O)C(=O)[O-])cc1	ZINC001605611308	973917349	/nfs/dbraw/zinc/91/73/49/973917349.db2.gz	QYKSHVZURGVBNV-LBPRGKRZSA-N	-1	0	302.286	0.724	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCCC[C@@H]1C(=O)[O-])cc2=O	ZINC001605626761	973958202	/nfs/dbraw/zinc/95/82/02/973958202.db2.gz	OKZHVOTYKUBRTK-LLVKDONJSA-N	-1	0	301.306	0.746	20	30		DCEDRM
C#CC1(O)CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC000712838633	977608933	/nfs/dbraw/zinc/60/89/33/977608933.db2.gz	YDHGNJGHXXYYQB-MNOVXSKESA-N	-1	0	301.364	0.030	20	30		DCEDRM
C[C@@H](CN(C)C(=O)CSCC#N)Nc1ncc(C(=O)[O-])cn1	ZINC001592574748	978474017	/nfs/dbraw/zinc/47/40/17/978474017.db2.gz	PUTKFSYQVIZIGB-VIFPVBQESA-N	-1	0	323.378	0.690	20	30		DCEDRM
C[C@@H](CN(C1CC1)S(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC001592592466	978516826	/nfs/dbraw/zinc/51/68/26/978516826.db2.gz	CFYQNOHSPNZIEQ-VIFPVBQESA-N	-1	0	309.347	0.827	20	30		DCEDRM
C#C[C@H](C)N(C)c1nnc(-c2c[n-]n(CC)c2=O)n1CCOC	ZINC001522998419	1014510642	/nfs/dbraw/zinc/51/06/42/1014510642.db2.gz	KVRUTVLHZGLUAX-NSHDSACASA-N	-1	0	318.381	0.971	20	30		DCEDRM
C[C@H](CS(=O)(=O)N1CCC2(CC1)CC(=O)C=CO2)C(=O)[O-]	ZINC001592799678	979453222	/nfs/dbraw/zinc/45/32/22/979453222.db2.gz	YTWNANZDRIUCCL-SNVBAGLBSA-N	-1	0	317.363	0.375	20	30		DCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC001592833626	979571406	/nfs/dbraw/zinc/57/14/06/979571406.db2.gz	HYCDXENLLOHTRN-GDLCADMTSA-N	-1	0	302.330	0.783	20	30		DCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC001592833627	979571778	/nfs/dbraw/zinc/57/17/78/979571778.db2.gz	HYCDXENLLOHTRN-HONMWMINSA-N	-1	0	302.330	0.783	20	30		DCEDRM
CC[C@H](C)[C@@H](NC(=O)COC(=O)c1cc(C#N)[nH]c1C)C(=O)[O-]	ZINC001594902042	982360576	/nfs/dbraw/zinc/36/05/76/982360576.db2.gz	BJRMPEQNCTWNDT-ISVAXAHUSA-N	-1	0	321.333	0.967	20	30		DCEDRM
CC[C@@H](C)[C@H](NC(=O)COC(=O)c1ccnc(C#N)c1)C(=O)[O-]	ZINC001594905555	982384960	/nfs/dbraw/zinc/38/49/60/982384960.db2.gz	SAFJPGQHSRWJOZ-RNCFNFMXSA-N	-1	0	319.317	0.726	20	30		DCEDRM
CCCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cncc(C#N)n1	ZINC001595882680	982897273	/nfs/dbraw/zinc/89/72/73/982897273.db2.gz	LBFZGTNRUNHEEU-NWDGAFQWSA-N	-1	0	317.349	0.402	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001524213875	1014895133	/nfs/dbraw/zinc/89/51/33/1014895133.db2.gz	PBZFLPLVBVXQFH-SNVBAGLBSA-N	-1	0	306.366	0.967	20	30		DCEDRM
CN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)CC#N)ccc1F	ZINC001573864764	983129402	/nfs/dbraw/zinc/12/94/02/983129402.db2.gz	MIIXWSRSZPNSES-UHFFFAOYSA-N	-1	0	314.294	0.280	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588368410	983305448	/nfs/dbraw/zinc/30/54/48/983305448.db2.gz	MEULNPSLLWETEL-VIFPVBQESA-N	-1	0	306.322	0.121	20	30		DCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001588368956	983309549	/nfs/dbraw/zinc/30/95/49/983309549.db2.gz	WLDRDHFDAWWVGX-SSDOTTSWSA-N	-1	0	309.347	0.582	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588369109	983311199	/nfs/dbraw/zinc/31/11/99/983311199.db2.gz	AXNIMWRJMZRGMT-SECBINFHSA-N	-1	0	306.322	0.169	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC001588369654	983316080	/nfs/dbraw/zinc/31/60/80/983316080.db2.gz	RWQCKDGFMVMTJZ-MFKMUULPSA-N	-1	0	316.313	0.393	20	30		DCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001588369625	983316083	/nfs/dbraw/zinc/31/60/83/983316083.db2.gz	RHGNFBHRTJBBIB-QMMMGPOBSA-N	-1	0	312.303	0.983	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F	ZINC001588370626	983320983	/nfs/dbraw/zinc/32/09/83/983320983.db2.gz	JEYJVTOTSKJQNI-VIFPVBQESA-N	-1	0	301.295	0.105	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC001588376550	983352595	/nfs/dbraw/zinc/35/25/95/983352595.db2.gz	VMSJZNVRMGPWTM-OLZOCXBDSA-N	-1	0	324.358	0.547	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001588382559	983372432	/nfs/dbraw/zinc/37/24/32/983372432.db2.gz	QFGCCBROMFDJTF-GFCCVEGCSA-N	-1	0	317.345	0.075	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H](C(=O)OCC)c1ccccc1)C(=O)[O-]	ZINC001588393427	983398348	/nfs/dbraw/zinc/39/83/48/983398348.db2.gz	BOMIXAKPWOZKSQ-CHWSQXEVSA-N	-1	0	303.314	0.926	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001588395796	983406425	/nfs/dbraw/zinc/40/64/25/983406425.db2.gz	UFQTUUJANLQMFH-SECBINFHSA-N	-1	0	301.295	0.186	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](CCSC)NC(=O)CC)C(=O)[O-]	ZINC001588398041	983410467	/nfs/dbraw/zinc/41/04/67/983410467.db2.gz	BJZGWFFEDCDSEI-UWVGGRQHSA-N	-1	0	300.380	0.227	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H](CCC)CCCS(C)(=O)=O)C(=O)[O-]	ZINC001588398319	983411887	/nfs/dbraw/zinc/41/18/87/983411887.db2.gz	HPMJCYVXCQMYCN-VXGBXAGGSA-N	-1	0	317.407	0.820	20	30		DCEDRM
C#CC[C@@H](NC(=O)CN(CC#C)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588404995	983419897	/nfs/dbraw/zinc/41/98/97/983419897.db2.gz	JKBFRKXIVYQQQE-LLVKDONJSA-N	-1	0	308.334	0.449	20	30		DCEDRM
C#CC[C@@H](NC(=O)CN1Cc2ccccc2OC1=O)C(=O)[O-]	ZINC001588405474	983421690	/nfs/dbraw/zinc/42/16/90/983421690.db2.gz	PUEPPFWMQIYAMJ-LLVKDONJSA-N	-1	0	302.286	0.594	20	30		DCEDRM
C#CC[C@H](NC(=O)c1[nH]nc(C)c1Br)C(=O)[O-]	ZINC001588413632	983431888	/nfs/dbraw/zinc/43/18/88/983431888.db2.gz	DQGRTCSQFALAAP-LURJTMIESA-N	-1	0	300.112	0.687	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cn(-c2cc(C)cc(F)c2)nn1)C(=O)[O-]	ZINC001588415903	983436042	/nfs/dbraw/zinc/43/60/42/983436042.db2.gz	HYZMHRSLWUMYSB-LBPRGKRZSA-N	-1	0	316.292	0.921	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cn(Cc2cccc(F)c2)nn1)C(=O)[O-]	ZINC001588416778	983437555	/nfs/dbraw/zinc/43/75/55/983437555.db2.gz	QYHHXYSWLDWEIO-LBPRGKRZSA-N	-1	0	316.292	0.672	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)CCc1ccc(OC)cc1)C(=O)[O-]	ZINC001588424584	983456063	/nfs/dbraw/zinc/45/60/63/983456063.db2.gz	XLEXIONZNRCJEY-CYBMUJFWSA-N	-1	0	311.359	0.634	20	30		DCEDRM
C#CCC1(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CCC1	ZINC001588428171	983460179	/nfs/dbraw/zinc/46/01/79/983460179.db2.gz	DZSJVFLNHNQLGI-CYDGBPFRSA-N	-1	0	318.373	0.664	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588464872	983495003	/nfs/dbraw/zinc/49/50/03/983495003.db2.gz	RBFSYMSWTKYMIZ-RQJABVFESA-N	-1	0	316.357	0.087	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)Cn1ccc(C(=O)[O-])n1	ZINC001588465820	983496606	/nfs/dbraw/zinc/49/66/06/983496606.db2.gz	IZOQAWOCWUINCY-UHFFFAOYSA-N	-1	0	321.333	0.385	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588478714	983517818	/nfs/dbraw/zinc/51/78/18/983517818.db2.gz	JFAMBQVTPWBUAD-JTQLQIEISA-N	-1	0	322.292	0.353	20	30		DCEDRM
C#CCN1CCC[C@H](NS(=O)(=O)c2cccnc2C(=O)[O-])C1	ZINC001588477766	983517875	/nfs/dbraw/zinc/51/78/75/983517875.db2.gz	ZZIOGMRJMBNKSS-NSHDSACASA-N	-1	0	323.374	0.156	20	30		DCEDRM
C#CCNC(=O)CCn1c(C)nc2cc(C(=O)[O-])ccc2c1=O	ZINC001588483576	983521397	/nfs/dbraw/zinc/52/13/97/983521397.db2.gz	BJSLFUQZIZOSCH-UHFFFAOYSA-N	-1	0	313.313	0.543	20	30		DCEDRM
C#CCSCC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588505169	983549698	/nfs/dbraw/zinc/54/96/98/983549698.db2.gz	XHPUIUXRIHUSMG-JTQLQIEISA-N	-1	0	308.363	0.506	20	30		DCEDRM
C#CCSCCn1nnnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588509880	983553949	/nfs/dbraw/zinc/55/39/49/983553949.db2.gz	RJAPONSIKWHLHH-GWCFXTLKSA-N	-1	0	309.395	0.587	20	30		DCEDRM
C#Cc1cncc(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])c1	ZINC001588528738	983577852	/nfs/dbraw/zinc/57/78/52/983577852.db2.gz	GKXRJECUGAAPQG-GFCCVEGCSA-N	-1	0	301.327	0.945	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001588536501	983594337	/nfs/dbraw/zinc/59/43/37/983594337.db2.gz	XXEGHMBSNXMBCR-BJDJZHNGSA-N	-1	0	310.350	0.063	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)C(=O)[O-]	ZINC001588536931	983596609	/nfs/dbraw/zinc/59/66/09/983596609.db2.gz	FZGUOPOCMLQQCY-SNVBAGLBSA-N	-1	0	301.364	0.347	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001588536994	983597153	/nfs/dbraw/zinc/59/71/53/983597153.db2.gz	WJAICEBLEKPBAK-QWRGUYRKSA-N	-1	0	303.380	0.894	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1c(Br)nnn1C)C(=O)[O-]	ZINC001588543714	983612376	/nfs/dbraw/zinc/61/23/76/983612376.db2.gz	MOPQSSRGZXNDSO-LURJTMIESA-N	-1	0	317.143	0.727	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001596230287	983625021	/nfs/dbraw/zinc/62/50/21/983625021.db2.gz	ZYCGKEILYSNFJL-VIFPVBQESA-N	-1	0	321.337	0.223	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC001596231678	983627205	/nfs/dbraw/zinc/62/72/05/983627205.db2.gz	RYZVNCDJGJZPOK-GMTAPVOTSA-N	-1	0	303.384	0.556	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cn(C)nc1CC)C(=O)[O-]	ZINC001588555676	983636586	/nfs/dbraw/zinc/63/65/86/983636586.db2.gz	OXCKWGXMHBOWBV-JTQLQIEISA-N	-1	0	301.368	0.680	20	30		DCEDRM
C=C(C)CN1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)C1	ZINC001588585160	983663125	/nfs/dbraw/zinc/66/31/25/983663125.db2.gz	LMSQUEIZZPFUEI-CABCVRRESA-N	-1	0	322.405	0.975	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N(C)C1(C(=O)[O-])CCCC1	ZINC001596299337	983723353	/nfs/dbraw/zinc/72/33/53/983723353.db2.gz	CHKIZABBSLZHGD-UHFFFAOYSA-N	-1	0	303.384	0.796	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N(CCC(=O)[O-])CC(C)C	ZINC001596299476	983724309	/nfs/dbraw/zinc/72/43/09/983724309.db2.gz	JKKYESGTCSPCJD-UHFFFAOYSA-N	-1	0	305.400	0.899	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CCC[C@]1(COC)C(=O)[O-]	ZINC001596299876	983727558	/nfs/dbraw/zinc/72/75/58/983727558.db2.gz	HBYSVXXKEIBGJR-LBPRGKRZSA-N	-1	0	319.383	0.032	20	30		DCEDRM
CCN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cnc(C#N)cn1	ZINC001596326095	983759333	/nfs/dbraw/zinc/75/93/33/983759333.db2.gz	CKPFMAVZJKMZTO-NEPJUHHUSA-N	-1	0	317.349	0.402	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccnc(C#N)n1	ZINC001596332480	983770618	/nfs/dbraw/zinc/77/06/18/983770618.db2.gz	JFRRLSTWBSWYCH-NXEZZACHSA-N	-1	0	303.322	0.011	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1	ZINC001588671720	983821656	/nfs/dbraw/zinc/82/16/56/983821656.db2.gz	HEGKYJFGLWTNKW-JTQLQIEISA-N	-1	0	308.338	0.276	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1	ZINC001588673332	983829838	/nfs/dbraw/zinc/82/98/38/983829838.db2.gz	RGXBDULMEBBBAG-SNVBAGLBSA-N	-1	0	322.365	0.088	20	30		DCEDRM
C=CC(C)(C)CCNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588677100	983832797	/nfs/dbraw/zinc/83/27/97/983832797.db2.gz	QNOQYXXJLUTLPC-LLVKDONJSA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=CC(C)(C)Cn1nnnc1N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588681500	983840203	/nfs/dbraw/zinc/84/02/03/983840203.db2.gz	XVVWTAJSUKNJKB-AWEZNQCLSA-N	-1	0	320.353	0.695	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC001588684611	983861459	/nfs/dbraw/zinc/86/14/59/983861459.db2.gz	VEJSBGLDNHRLOH-HNNXBMFYSA-N	-1	0	320.349	0.151	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCC[C@@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001588684891	983865455	/nfs/dbraw/zinc/86/54/55/983865455.db2.gz	ZYAYWUNMAMLWIX-BMIGLBTASA-N	-1	0	322.365	0.809	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC001588692960	983889135	/nfs/dbraw/zinc/88/91/35/983889135.db2.gz	NTFYFEXRJQRRDN-LBPRGKRZSA-N	-1	0	320.345	0.960	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CCC[C@@](C)(C(=O)[O-])C2)n1CCOC	ZINC001588706249	983930313	/nfs/dbraw/zinc/93/03/13/983930313.db2.gz	XEGJPJAYAPZXCZ-IAQYHMDHSA-N	-1	0	324.381	0.835	20	30		DCEDRM
C=C[C@@H](OC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O)C(=O)[O-]	ZINC001588712013	983940870	/nfs/dbraw/zinc/94/08/70/983940870.db2.gz	FLSVPSLZUGKFCY-SSDOTTSWSA-N	-1	0	324.314	0.095	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)C(=O)OCC	ZINC001588749053	984063618	/nfs/dbraw/zinc/06/36/18/984063618.db2.gz	DKWMJUKYFAIIHF-VIFPVBQESA-N	-1	0	305.352	0.278	20	30		DCEDRM
C=CC[C@@H]1NC(=O)N([C@H]2CCCn3nc(C(=O)[O-])cc32)C1=O	ZINC001588773623	984148400	/nfs/dbraw/zinc/14/84/00/984148400.db2.gz	BRLIKSNISHYQRJ-WPRPVWTQSA-N	-1	0	304.306	0.913	20	30		DCEDRM
C=CCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCOCC1	ZINC001588773767	984149233	/nfs/dbraw/zinc/14/92/33/984149233.db2.gz	JCKNPVKAVBABEV-VXGBXAGGSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588782613	984173439	/nfs/dbraw/zinc/17/34/39/984173439.db2.gz	KRHDKBBVVHMXSR-ABAIWWIYSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=CCCC[C@H](NC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)[O-]	ZINC001588790238	984205019	/nfs/dbraw/zinc/20/50/19/984205019.db2.gz	UBXOLUSOHZAAEF-QWRGUYRKSA-N	-1	0	301.364	0.861	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)c1ccnn1CC)C(=O)[O-]	ZINC001588798749	984238346	/nfs/dbraw/zinc/23/83/46/984238346.db2.gz	QFRAFNQOGNAMRY-SNVBAGLBSA-N	-1	0	301.368	0.991	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588803805	984252472	/nfs/dbraw/zinc/25/24/72/984252472.db2.gz	LQIAKRFCTVQZKR-ZJUUUORDSA-N	-1	0	305.352	0.088	20	30		DCEDRM
C=CCCCn1nnnc1N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588805663	984255445	/nfs/dbraw/zinc/25/54/45/984255445.db2.gz	KEKUSNUKYUDVDD-ZDUSSCGKSA-N	-1	0	306.326	0.449	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])nn1	ZINC001588817617	984276633	/nfs/dbraw/zinc/27/66/33/984276633.db2.gz	PZXGQYAQCMPBKX-SECBINFHSA-N	-1	0	300.265	0.789	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1	ZINC001588822271	984288391	/nfs/dbraw/zinc/28/83/91/984288391.db2.gz	CYTMXLCVDGODGT-KRWDZBQOSA-N	-1	0	316.357	0.886	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588828543	984306737	/nfs/dbraw/zinc/30/67/37/984306737.db2.gz	AKPKXJJREKOLPE-UHFFFAOYSA-N	-1	0	306.318	0.984	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)Sc1nncn1C)C(=O)[O-]	ZINC001588850869	984380553	/nfs/dbraw/zinc/38/05/53/984380553.db2.gz	IIDJGWZLOTUVTO-RKDXNWHRSA-N	-1	0	314.367	0.068	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CN1C(=O)Cc2ccccc21)C(=O)[O-]	ZINC001588853668	984384884	/nfs/dbraw/zinc/38/48/84/984384884.db2.gz	FDFJOMWKSUEMLY-GFCCVEGCSA-N	-1	0	318.329	0.348	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)/C=C\CN(C)CC(F)(F)F)C(=O)[O-]	ZINC001588854198	984388694	/nfs/dbraw/zinc/38/86/94/984388694.db2.gz	QQQQGMMJWXXWLH-UMCURTJPSA-N	-1	0	324.299	0.809	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c(C)nc2ccnn2c1C)C(=O)[O-]	ZINC001588856481	984400525	/nfs/dbraw/zinc/40/05/25/984400525.db2.gz	JXACNSFAHSOCMS-NSHDSACASA-N	-1	0	318.333	0.732	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)COc1ccccc1C=O)C(=O)[O-]	ZINC001588856572	984401341	/nfs/dbraw/zinc/40/13/41/984401341.db2.gz	NCWMSWSJHNWTQL-GFCCVEGCSA-N	-1	0	307.302	0.650	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc(OC)c(O)c1)C(=O)[O-]	ZINC001588857013	984402370	/nfs/dbraw/zinc/40/23/70/984402370.db2.gz	VIVVNIMZZLQCAN-NSHDSACASA-N	-1	0	309.318	0.715	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc(OC)c(O)c1)C(=O)[O-]	ZINC001588857012	984402495	/nfs/dbraw/zinc/40/24/95/984402495.db2.gz	VIVVNIMZZLQCAN-LLVKDONJSA-N	-1	0	309.318	0.715	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1csc(NC(C)=O)n1)C(=O)[O-]	ZINC001588859985	984409676	/nfs/dbraw/zinc/40/96/76/984409676.db2.gz	DPZWNSZHIJECDD-MRVPVSSYSA-N	-1	0	313.335	0.487	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(C(=O)N(C)C)c1)C(=O)[O-]	ZINC001588861389	984415528	/nfs/dbraw/zinc/41/55/28/984415528.db2.gz	HPFDVVJURQFDFO-CYBMUJFWSA-N	-1	0	320.345	0.774	20	30		DCEDRM
C=CCOc1ccc(CC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC001588873963	984446328	/nfs/dbraw/zinc/44/63/28/984446328.db2.gz	PAAMJJOPAYGCPN-TZMCWYRMSA-N	-1	0	305.330	0.840	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001524664494	1015035686	/nfs/dbraw/zinc/03/56/86/1015035686.db2.gz	YMGPVQMNRGYHOT-NSHDSACASA-N	-1	0	304.350	0.414	20	30		DCEDRM
C=CCn1c(-c2cnns2)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588890017	984482833	/nfs/dbraw/zinc/48/28/33/984482833.db2.gz	KXTBHHPAZGQECY-LBPRGKRZSA-N	-1	0	324.341	0.986	20	30		DCEDRM
C=CCn1c(-c2ncon2)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588891486	984488160	/nfs/dbraw/zinc/48/81/60/984488160.db2.gz	MJXAFSIKRZOPAQ-CYBMUJFWSA-N	-1	0	304.310	0.815	20	30		DCEDRM
C=CCn1c(N2C[C@@H](C)[C@H](C(=O)[O-])C2)nnc1[C@]1(O)CCOC1	ZINC001588905003	984534262	/nfs/dbraw/zinc/53/42/62/984534262.db2.gz	LTGKZBWLPUGEGB-HFAKWTLXSA-N	-1	0	322.365	0.229	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC001588918111	984569903	/nfs/dbraw/zinc/56/99/03/984569903.db2.gz	YEGZBMQSRWMDSA-QWRGUYRKSA-N	-1	0	303.380	0.752	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC001588926288	984592698	/nfs/dbraw/zinc/59/26/98/984592698.db2.gz	PSZLUPWCIJDSSU-LBPRGKRZSA-N	-1	0	320.345	0.967	20	30		DCEDRM
CC#CCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001588930890	984599995	/nfs/dbraw/zinc/59/99/95/984599995.db2.gz	FDIVJLDIZRQRHD-UHFFFAOYSA-N	-1	0	312.303	0.937	20	30		DCEDRM
CC#CCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1	ZINC001588932578	984609410	/nfs/dbraw/zinc/60/94/10/984609410.db2.gz	YXRJHSYHDNTSJF-UHFFFAOYSA-N	-1	0	324.720	0.881	20	30		DCEDRM
CC(=NN[C@H](CO)c1ccccc1)c1cn(CC(=O)[O-])nn1	ZINC001589017136	985001871	/nfs/dbraw/zinc/00/18/71/985001871.db2.gz	ZQIINHPKICLKHV-CYBMUJFWSA-N	-1	0	303.322	0.410	20	30		DCEDRM
C[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001599918365	985092672	/nfs/dbraw/zinc/09/26/72/985092672.db2.gz	DDOQIQGXSQAIKE-FZMZJTMJSA-N	-1	0	318.329	0.832	20	30		DCEDRM
C[C@H]1CN(C(=O)c2ccccc2OCC#N)C[C@@H](C(=O)[O-])O1	ZINC001599925178	985190130	/nfs/dbraw/zinc/19/01/30/985190130.db2.gz	GRPFFKSFWIJKBZ-GWCFXTLKSA-N	-1	0	304.302	0.903	20	30		DCEDRM
CC(=O)N[C@H](CC(C)C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001589165801	985507891	/nfs/dbraw/zinc/50/78/91/985507891.db2.gz	WQTZRXNJUIDVJZ-GFCCVEGCSA-N	-1	0	309.366	0.754	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001589329148	986161291	/nfs/dbraw/zinc/16/12/91/986161291.db2.gz	JXSHSINXBNNWBC-UWVGGRQHSA-N	-1	0	313.354	0.972	20	30		DCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC001589330738	986177101	/nfs/dbraw/zinc/17/71/01/986177101.db2.gz	OZCUPPUHWIAXAY-LURJTMIESA-N	-1	0	303.727	0.871	20	30		DCEDRM
CC(C)(C#N)c1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1	ZINC001589558444	987310237	/nfs/dbraw/zinc/31/02/37/987310237.db2.gz	PTLRZWMLLINLQL-UHFFFAOYSA-N	-1	0	303.318	0.418	20	30		DCEDRM
CSC[C@@](C)(C#N)NC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001599790183	987993793	/nfs/dbraw/zinc/99/37/93/987993793.db2.gz	UEJLXSGOSGBVAO-CYBMUJFWSA-N	-1	0	309.347	0.308	20	30		DCEDRM
CCc1nc(C#N)cc(N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)n1	ZINC001597645579	988665280	/nfs/dbraw/zinc/66/52/80/988665280.db2.gz	VDVZYVNUTZPACD-VHSXEESVSA-N	-1	0	304.306	0.221	20	30		DCEDRM
CCc1nc(C#N)cc(N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)n1	ZINC001597645580	988665467	/nfs/dbraw/zinc/66/54/67/988665467.db2.gz	VDVZYVNUTZPACD-ZJUUUORDSA-N	-1	0	304.306	0.221	20	30		DCEDRM
C[C@@H]1CN(C(=O)COc2cccc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001599855090	989074463	/nfs/dbraw/zinc/07/44/63/989074463.db2.gz	SQJPVZJBQCISBD-MFKMUULPSA-N	-1	0	304.302	0.638	20	30		DCEDRM
CN(C(=O)C(=O)Nc1cc(F)cc(C#N)c1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001597990665	990084020	/nfs/dbraw/zinc/08/40/20/990084020.db2.gz	QWODIAJPRYYNPC-WVSHTKLVSA-N	-1	0	319.292	0.957	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1	ZINC001598287222	991186018	/nfs/dbraw/zinc/18/60/18/991186018.db2.gz	DAJLLORUZMMAJE-HNNXBMFYSA-N	-1	0	303.318	0.286	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1	ZINC001598287324	991187203	/nfs/dbraw/zinc/18/72/03/991187203.db2.gz	FZQFODVVLAWFIK-JSGCOSHPSA-N	-1	0	317.345	0.532	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	ZINC001598468425	991986054	/nfs/dbraw/zinc/98/60/54/991986054.db2.gz	AIHOEYAZUCQFPP-UHFFFAOYSA-N	-1	0	317.289	0.416	20	30		DCEDRM
CN(CCC#N)C[C@@H](O)Cn1nc(C(=O)[O-])c2c1CCCC2	ZINC001598469045	991995277	/nfs/dbraw/zinc/99/52/77/991995277.db2.gz	QMRURJHYOZSNJK-LLVKDONJSA-N	-1	0	306.366	0.666	20	30		DCEDRM
CN(CCCN(C)c1ccc(C#N)cn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001598478414	992110674	/nfs/dbraw/zinc/11/06/74/992110674.db2.gz	NBQMTMGYVKFTJO-STQMWFEESA-N	-1	0	316.361	0.959	20	30		DCEDRM
CN(CCCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001598481602	992160569	/nfs/dbraw/zinc/16/05/69/992160569.db2.gz	VLEAZUGTTBOGEG-NWDGAFQWSA-N	-1	0	318.333	0.185	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC001591458717	992571944	/nfs/dbraw/zinc/57/19/44/992571944.db2.gz	YZHKSNYOAMYUAP-NSHDSACASA-N	-1	0	320.349	0.242	20	30		DCEDRM
CN1C(=O)CC[C@@H]1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001598550387	992997277	/nfs/dbraw/zinc/99/72/77/992997277.db2.gz	CEMDAJHQHHOJRB-YPMHNXCESA-N	-1	0	302.286	0.848	20	30		DCEDRM
CN1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001598587338	993403792	/nfs/dbraw/zinc/40/37/92/993403792.db2.gz	FXFKDQLITFXJIU-SNVBAGLBSA-N	-1	0	309.347	0.239	20	30		DCEDRM
COc1cccc(C(=O)NCC(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001599642992	994385536	/nfs/dbraw/zinc/38/55/36/994385536.db2.gz	JEMOWKYXGCHAHJ-UHFFFAOYSA-N	-1	0	319.317	0.252	20	30		DCEDRM
C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001593498756	995485747	/nfs/dbraw/zinc/48/57/47/995485747.db2.gz	DFVYORIWEAXFKB-MWLCHTKSSA-N	-1	0	302.286	0.927	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)o1	ZINC001598750608	995648686	/nfs/dbraw/zinc/64/86/86/995648686.db2.gz	KKBRSBSBHQLHRN-WPRPVWTQSA-N	-1	0	306.274	0.630	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)n1C	ZINC001598751140	995655105	/nfs/dbraw/zinc/65/51/05/995655105.db2.gz	LVSWMYQLRICTIT-JOYOIKCWSA-N	-1	0	319.317	0.375	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccnc(C#N)c1	ZINC001598762141	995788426	/nfs/dbraw/zinc/78/84/26/995788426.db2.gz	ULUJQMITCNFNLV-YPMHNXCESA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(C#N)n1C	ZINC001598768594	995860957	/nfs/dbraw/zinc/86/09/57/995860957.db2.gz	MGXDFOMOSLBJSC-SKDRFNHKSA-N	-1	0	319.317	0.375	20	30		DCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001593641381	995951671	/nfs/dbraw/zinc/95/16/71/995951671.db2.gz	IJOMEJWGLTWPHE-VHRBIJSZSA-N	-1	0	318.329	0.762	20	30		DCEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001465363388	1015997665	/nfs/dbraw/zinc/99/76/65/1015997665.db2.gz	JQRPPXQNASKXJF-ZUZCIYMTSA-N	-1	0	315.333	0.409	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2cc(C#N)ccc2F)C[C@@H]1C(=O)[O-]	ZINC001598819351	996307462	/nfs/dbraw/zinc/30/74/62/996307462.db2.gz	UFPNOSNHRPXREF-QWRGUYRKSA-N	-1	0	320.276	0.643	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2ccc(Cl)c(C#N)n2)C[C@H]1C(=O)[O-]	ZINC001598826273	996386271	/nfs/dbraw/zinc/38/62/71/996386271.db2.gz	HWTSKGXHUUNYQU-HTQZYQBOSA-N	-1	0	309.709	0.917	20	30		DCEDRM
COC(=O)CC[C@@H](NC(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001598856476	996642252	/nfs/dbraw/zinc/64/22/52/996642252.db2.gz	PFSRHTUGMAFVIM-GFCCVEGCSA-N	-1	0	304.302	0.623	20	30		DCEDRM
COC(=O)C[C@@H](OC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC001598868971	996727123	/nfs/dbraw/zinc/72/71/23/996727123.db2.gz	ZBIRNQHVHBFAMC-BXKDBHETSA-N	-1	0	321.285	0.885	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN(C)CCC#N	ZINC001599380022	996819632	/nfs/dbraw/zinc/81/96/32/996819632.db2.gz	CNEOTNBORMXRLU-GFCCVEGCSA-N	-1	0	308.334	0.979	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(C#N)CCC2)C1	ZINC001599077736	996915217	/nfs/dbraw/zinc/91/52/17/996915217.db2.gz	AICYELBAELHUNL-LBPRGKRZSA-N	-1	0	302.352	0.186	20	30		DCEDRM
COCC1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001599208284	997451530	/nfs/dbraw/zinc/45/15/30/997451530.db2.gz	RIXVVCRIDXIJQV-UHFFFAOYSA-N	-1	0	310.331	0.523	20	30		DCEDRM
COCC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001599138663	998088510	/nfs/dbraw/zinc/08/85/10/998088510.db2.gz	NSHXIAUCXHOPON-RFQIPJPRSA-N	-1	0	306.362	0.032	20	30		DCEDRM
COC[C@@](C)(NCC(=O)N(C)C1(C#N)CCCCC1)C(=O)[O-]	ZINC001599154772	998353834	/nfs/dbraw/zinc/35/38/34/998353834.db2.gz	VRMWASDJEYXVIW-CQSZACIVSA-N	-1	0	311.382	0.751	20	30		DCEDRM
N#C[C@H](CO)NC(=O)c1cc(Br)c(F)cc1[O-]	ZINC001468043619	1016217242	/nfs/dbraw/zinc/21/72/42/1016217242.db2.gz	OXJPKJQHHOSTRU-RXMQYKEDSA-N	-1	0	303.087	0.908	20	30		DCEDRM
COCCn1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001599271130	998547064	/nfs/dbraw/zinc/54/70/64/998547064.db2.gz	HHGOWLIJLQECAT-UHFFFAOYSA-N	-1	0	321.337	0.752	20	30		DCEDRM
COC[C@H](NC(=O)COc1ccc(C#N)cc1OC)C(=O)[O-]	ZINC001599168423	998577077	/nfs/dbraw/zinc/57/70/77/998577077.db2.gz	ALBMCPNVPUWPCQ-JTQLQIEISA-N	-1	0	308.290	0.161	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(OC(=O)NC(C)C)C1	ZINC001468612066	1016267475	/nfs/dbraw/zinc/26/74/75/1016267475.db2.gz	BRJFYXMTTVWZRJ-UHFFFAOYSA-N	-1	0	318.333	0.926	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@H]2C[C@@H]2c2ccccc2)c(=O)[n-]c1=O	ZINC001469407563	1016333398	/nfs/dbraw/zinc/33/33/98/1016333398.db2.gz	KEETTYWHPKMEQA-TZMCWYRMSA-N	-1	0	324.340	0.740	20	30		DCEDRM
C[C@@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C[C@@H](C)N1CC#N	ZINC001594470930	999703037	/nfs/dbraw/zinc/70/30/37/999703037.db2.gz	PWLPTJHIABCRRC-GHMZBOCLSA-N	-1	0	305.338	0.026	20	30		DCEDRM
CC[C@@H]1COC(C)(C)CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001469863188	1016368819	/nfs/dbraw/zinc/36/88/19/1016368819.db2.gz	QWEJBLFCPNIPNK-LLVKDONJSA-N	-1	0	320.349	0.237	20	30		DCEDRM
CC(C)c1occc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001418535838	1000324355	/nfs/dbraw/zinc/32/43/55/1000324355.db2.gz	CWEACGJVMNICTF-UHFFFAOYSA-N	-1	0	316.317	0.967	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c(=O)[n-]c1=O	ZINC001470360298	1016425661	/nfs/dbraw/zinc/42/56/61/1016425661.db2.gz	GBIGEHLDXLAFQE-GDNZZTSVSA-N	-1	0	302.334	0.373	20	30		DCEDRM
CN(C)C(=O)c1cccc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001421045537	1003265507	/nfs/dbraw/zinc/26/55/07/1003265507.db2.gz	LDDSYHXLNBBWJB-UHFFFAOYSA-N	-1	0	314.301	0.439	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H]2Cc3ccc(C#N)cc3C2)c(C#N)c1=O	ZINC001421287522	1003503980	/nfs/dbraw/zinc/50/39/80/1003503980.db2.gz	JKEJLTDKMCYNPD-LBPRGKRZSA-N	-1	0	307.313	0.396	20	30		DCEDRM
COCCN(CC#N)CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC001473528119	1016939602	/nfs/dbraw/zinc/93/96/02/1016939602.db2.gz	YZOAFYJKJAIJDA-UHFFFAOYSA-N	-1	0	308.363	0.480	20	30		DCEDRM
C#CCCCC(=O)N(C)C[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001514596972	1016986646	/nfs/dbraw/zinc/98/66/46/1016986646.db2.gz	XQNNFNYDCRJOHN-LBPRGKRZSA-N	-1	0	318.377	0.900	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)CN1CCOCC1	ZINC001417610773	1005851075	/nfs/dbraw/zinc/85/10/75/1005851075.db2.gz	GOQBDFQVHDTPRS-NSHDSACASA-N	-1	0	304.350	0.418	20	30		DCEDRM
CCO[C@@H](CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001417662215	1005862523	/nfs/dbraw/zinc/86/25/23/1005862523.db2.gz	XYKRSYXFIBXHTL-LBPRGKRZSA-N	-1	0	322.365	0.388	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCc2cscn2)c(=O)[n-]c1=O	ZINC001417675084	1005865328	/nfs/dbraw/zinc/86/53/28/1005865328.db2.gz	VSVNIEDEPUSOAZ-UHFFFAOYSA-N	-1	0	319.346	0.026	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](CC(C)C)NC(=O)[C@H](C)C#N)c1[O-]	ZINC001451761233	1006396298	/nfs/dbraw/zinc/39/62/98/1006396298.db2.gz	VOVOSDUHMBSSIX-MWLCHTKSSA-N	-1	0	321.381	0.844	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1	ZINC001418368840	1006434617	/nfs/dbraw/zinc/43/46/17/1006434617.db2.gz	YFBCKZPCICFYED-KOLCDFICSA-N	-1	0	323.374	0.663	20	30		DCEDRM
C=C(Cl)CN(CC)CCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001437626708	1007189855	/nfs/dbraw/zinc/18/98/55/1007189855.db2.gz	UXZOCRKZYFQKAU-UHFFFAOYSA-N	-1	0	323.784	0.827	20	30		DCEDRM
CCc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001453846538	1008758229	/nfs/dbraw/zinc/75/82/29/1008758229.db2.gz	VEXASKOEKCIOQS-UHFFFAOYSA-N	-1	0	318.358	0.874	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)NCc1nc([O-])cc(=O)[nH]1	ZINC001454191640	1008988348	/nfs/dbraw/zinc/98/83/48/1008988348.db2.gz	PGCYTBAXBWKLDA-UHFFFAOYSA-N	-1	0	300.274	0.698	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](C)S(=O)(=O)CC1	ZINC001433901733	1009327755	/nfs/dbraw/zinc/32/77/55/1009327755.db2.gz	ADGPFRJHSOBDEF-SNVBAGLBSA-N	-1	0	323.374	0.617	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@@H](C(=O)C2CC2)C1	ZINC001433956492	1009398407	/nfs/dbraw/zinc/39/84/07/1009398407.db2.gz	CURLCIKQTSLYBT-GFCCVEGCSA-N	-1	0	315.329	0.787	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)cc1O	ZINC001434279105	1009717973	/nfs/dbraw/zinc/71/79/73/1009717973.db2.gz	RWDGTHFRZSFHPG-HIFRSBDPSA-N	-1	0	313.313	0.483	20	30		DCEDRM
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434280865	1009720649	/nfs/dbraw/zinc/72/06/49/1009720649.db2.gz	CODPFHUAPHHJBD-BSTOTGJRSA-N	-1	0	320.349	0.139	20	30		DCEDRM
N#C[C@@]12CN(C(=O)c3ccc(F)cc3[O-])C[C@H]1CS(=O)(=O)C2	ZINC001434438815	1009955259	/nfs/dbraw/zinc/95/52/59/1009955259.db2.gz	AUQMELDKGGWRIY-XPTSAGLGSA-N	-1	0	324.333	0.542	20	30		DCEDRM
CC[C@H](C)C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC	ZINC001434449353	1009967600	/nfs/dbraw/zinc/96/76/00/1009967600.db2.gz	UKXNSOVOVBBLFG-WCBMZHEXSA-N	-1	0	308.338	0.335	20	30		DCEDRM
C[C@H]1CCCC[C@@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434762723	1010249451	/nfs/dbraw/zinc/24/94/51/1010249451.db2.gz	TYKIQPCWENUYSA-JQWIXIFHSA-N	-1	0	319.365	0.698	20	30		DCEDRM
COc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c(OC)c1	ZINC001458114287	1012082324	/nfs/dbraw/zinc/08/23/24/1012082324.db2.gz	CNHXEFDUQNYXMC-UHFFFAOYSA-N	-1	0	316.317	0.575	20	30		DCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)co1	ZINC001561868140	1012477583	/nfs/dbraw/zinc/47/75/83/1012477583.db2.gz	KNRNZEUQBVSCRM-JTQLQIEISA-N	-1	0	303.336	0.672	20	30		DCEDRM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]N1CCCC1=O	ZINC001561816831	1012480127	/nfs/dbraw/zinc/48/01/27/1012480127.db2.gz	PRIPGJIOKDZJEU-UHFFFAOYSA-N	-1	0	310.291	0.282	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)Nc2ccccc2Cl)c1=O	ZINC001459137118	1012591193	/nfs/dbraw/zinc/59/11/93/1012591193.db2.gz	LERRMKPWHWBEIG-UHFFFAOYSA-N	-1	0	304.693	0.700	20	30		DCEDRM
COC(=O)c1cccc(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001459137747	1012592423	/nfs/dbraw/zinc/59/24/23/1012592423.db2.gz	NUZUBFCLTNQKKR-UHFFFAOYSA-N	-1	0	313.269	0.078	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2cc(F)cc3c2OCOC3)c1=O	ZINC001459137763	1012592513	/nfs/dbraw/zinc/59/25/13/1012592513.db2.gz	NYXCREDFVDZHKL-UHFFFAOYSA-N	-1	0	303.249	0.462	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)cc1	ZINC001520461278	1017277947	/nfs/dbraw/zinc/27/79/47/1017277947.db2.gz	WOQPJUINUWOHIQ-LBPRGKRZSA-N	-1	0	300.322	0.810	20	30		DCEDRM
CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001493913548	1019812659	/nfs/dbraw/zinc/81/26/59/1019812659.db2.gz	ROEDICDRVHTJKF-TXEJJXNPSA-N	-1	0	303.366	0.345	20	30		DCEDRM
CSCCNC(=S)NN=Cc1ccc(C(=O)[O-])n1C	ZINC001607397945	1170446300	/nfs/dbraw/zinc/44/63/00/1170446300.db2.gz	CRJSQEZJJSQZKN-UHFFFAOYSA-N	-1	0	300.409	0.884	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(C(=O)[O-])s1	ZINC001609631192	1171056118	/nfs/dbraw/zinc/05/61/18/1171056118.db2.gz	SEWPHZNTSVBHIW-MRVPVSSYSA-N	-1	0	317.392	0.872	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000263174798	238186030	/nfs/dbraw/zinc/18/60/30/238186030.db2.gz	JRSPLKXHARZKSS-VWYCJHECSA-N	-1	0	303.384	0.508	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2cnn(C)c2C)nn1CCC#N	ZINC000292009981	238476315	/nfs/dbraw/zinc/47/63/15/238476315.db2.gz	YNKLPSBPAPFBAA-UHFFFAOYSA-N	-1	0	308.367	0.948	20	30		DCEDRM
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCCC(=O)[O-]	ZINC000420586293	240046605	/nfs/dbraw/zinc/04/66/05/240046605.db2.gz	CKUMVJZIQQUNNT-UHFFFAOYSA-N	-1	0	320.345	0.801	20	30		DCEDRM
C[C@@](CO)(CNS(=O)(=O)c1ccccc1C#N)CC(=O)[O-]	ZINC000275411727	212318213	/nfs/dbraw/zinc/31/82/13/212318213.db2.gz	AJTVXYPAHIXDKZ-ZDUSSCGKSA-N	-1	0	312.347	0.310	20	30		DCEDRM
CC(C)C[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000424393397	240259931	/nfs/dbraw/zinc/25/99/31/240259931.db2.gz	RNYMDFSLEVPURV-GHMZBOCLSA-N	-1	0	305.400	0.802	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)/C=C\C2CCOCC2)c1	ZINC000493828896	241164234	/nfs/dbraw/zinc/16/42/34/241164234.db2.gz	VVBUBTRMQBQGNW-UPHRSURJSA-N	-1	0	321.358	0.741	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)[O-]	ZINC000274988893	212059986	/nfs/dbraw/zinc/05/99/86/212059986.db2.gz	KLVLKYGTWHQPCQ-LLVKDONJSA-N	-1	0	315.322	0.979	20	30		DCEDRM
CCOC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cn1C	ZINC000273921153	211175312	/nfs/dbraw/zinc/17/53/12/211175312.db2.gz	JRSPNLAQHZHMDV-UHFFFAOYSA-N	-1	0	323.334	0.597	20	30		DCEDRM
CNC(=O)c1cccc(OCC(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC000340507341	253269061	/nfs/dbraw/zinc/26/90/61/253269061.db2.gz	YJNCEWNFWKRDOI-UHFFFAOYSA-N	-1	0	324.300	0.530	20	30		DCEDRM
COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000048503907	395816523	/nfs/dbraw/zinc/81/65/23/395816523.db2.gz	RVOKBCDZSHHJGI-UHFFFAOYSA-N	-1	0	311.319	0.902	20	30		DCEDRM
C=CCSCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000194479840	395798052	/nfs/dbraw/zinc/79/80/52/395798052.db2.gz	INNXSWQLTFBVIL-UHFFFAOYSA-N	-1	0	306.347	0.260	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000230108130	395878505	/nfs/dbraw/zinc/87/85/05/395878505.db2.gz	NMLIPJCATDTLFJ-MNOVXSKESA-N	-1	0	310.331	0.075	20	30		DCEDRM
C#C[C@@H](C)NC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O	ZINC000274740962	395972350	/nfs/dbraw/zinc/97/23/50/395972350.db2.gz	JWWMEFNKARJPRC-SECBINFHSA-N	-1	0	323.374	0.768	20	30		DCEDRM
CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000159703782	396070200	/nfs/dbraw/zinc/07/02/00/396070200.db2.gz	XTDBEGDRBVUUCS-CYBMUJFWSA-N	-1	0	309.347	0.829	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2ncc(C(N)=O)s2)c1	ZINC000171151805	396109091	/nfs/dbraw/zinc/10/90/91/396109091.db2.gz	HEARHOJUMGREFJ-UHFFFAOYSA-N	-1	0	308.344	0.914	20	30		DCEDRM
CSCCN(CC(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000594681525	396496669	/nfs/dbraw/zinc/49/66/69/396496669.db2.gz	QGGYCTSKPFUNKN-VIFPVBQESA-N	-1	0	309.413	0.072	20	30		DCEDRM
COC[C@](C)(NC(=O)NCCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594690124	396497281	/nfs/dbraw/zinc/49/72/81/396497281.db2.gz	FIFMVJBOJDEONF-HNNXBMFYSA-N	-1	0	305.334	0.890	20	30		DCEDRM
CCc1nnc(C[N-]S(=O)(=O)c2cccnc2C#N)s1	ZINC000289426603	396459692	/nfs/dbraw/zinc/45/96/92/396459692.db2.gz	CSNUSJAXCDEKKU-UHFFFAOYSA-N	-1	0	309.376	0.846	20	30		DCEDRM
COC(=O)CCCNS(=O)(=O)c1ccc(C#N)cc1F	ZINC000582401620	396608454	/nfs/dbraw/zinc/60/84/54/396608454.db2.gz	PNOUVOKLUYEOIS-UHFFFAOYSA-N	-1	0	300.311	0.929	20	30		DCEDRM
C=CCSCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000596972709	396867952	/nfs/dbraw/zinc/86/79/52/396867952.db2.gz	GONLIWGSVCTVHH-UHFFFAOYSA-N	-1	0	316.404	0.689	20	30		DCEDRM
CO[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)[C@](C)(C(=O)[O-])C1	ZINC000600658591	396908370	/nfs/dbraw/zinc/90/83/70/396908370.db2.gz	LCJFWDCZAJGAJQ-FZMZJTMJSA-N	-1	0	324.358	0.811	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])c1	ZINC000600659273	396908886	/nfs/dbraw/zinc/90/88/86/396908886.db2.gz	OLDMLKKGXOWKIG-SECBINFHSA-N	-1	0	317.273	0.436	20	30		DCEDRM
CC[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@@H](O)C(C)C	ZINC000600843088	396956511	/nfs/dbraw/zinc/95/65/11/396956511.db2.gz	WUVNVANUIMQKNU-YPMHNXCESA-N	-1	0	322.365	0.122	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC000597495604	396991394	/nfs/dbraw/zinc/99/13/94/396991394.db2.gz	BWEHLPPMQDFMLR-CQSZACIVSA-N	-1	0	323.374	0.805	20	30		DCEDRM
N#Cc1ccccc1N1CCN(S(=O)(=O)c2ncc[n-]2)CC1	ZINC000601332458	397062367	/nfs/dbraw/zinc/06/23/67/397062367.db2.gz	LBXAPAOLUFUKAO-UHFFFAOYSA-N	-1	0	317.374	0.792	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CC)C(=O)[O-]	ZINC000592425143	397172888	/nfs/dbraw/zinc/17/28/88/397172888.db2.gz	XTGHTTOEYWAYDK-JTQLQIEISA-N	-1	0	319.317	0.875	20	30		DCEDRM
CC(C)N(CC1CC1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602061034	397292321	/nfs/dbraw/zinc/29/23/21/397292321.db2.gz	UKGSQIILMVLXPY-UHFFFAOYSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CC1(C)CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602101067	397300611	/nfs/dbraw/zinc/30/06/11/397300611.db2.gz	URLJFVNHCBORTE-UHFFFAOYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCC3(CC3)CC2)c(=O)[n-]c1=O	ZINC000602099613	397300959	/nfs/dbraw/zinc/30/09/59/397300959.db2.gz	XPSHCSORRJDPMU-UHFFFAOYSA-N	-1	0	302.334	0.613	20	30		DCEDRM
CC(C)[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC000602107359	397303351	/nfs/dbraw/zinc/30/33/51/397303351.db2.gz	PIORXLYUJOPLAN-NSHDSACASA-N	-1	0	322.390	0.421	20	30		DCEDRM
CC(C)N(CC(F)F)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602122047	397309659	/nfs/dbraw/zinc/30/96/59/397309659.db2.gz	MNLHMGFSGGQQFW-UHFFFAOYSA-N	-1	0	300.265	0.323	20	30		DCEDRM
C[C@@H]1C[C@H](C)CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602130836	397312176	/nfs/dbraw/zinc/31/21/76/397312176.db2.gz	XZQZQCGPLOVMJE-GHMZBOCLSA-N	-1	0	304.350	0.715	20	30		DCEDRM
C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]2CCCC[C@H]12	ZINC000602131740	397313776	/nfs/dbraw/zinc/31/37/76/397313776.db2.gz	UZXZRLNJBNGEJH-RTXFEEFZSA-N	-1	0	316.361	0.858	20	30		DCEDRM
C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1C	ZINC000602133472	397314173	/nfs/dbraw/zinc/31/41/73/397314173.db2.gz	PFOJMBVBSWKDTL-GHMZBOCLSA-N	-1	0	304.350	0.715	20	30		DCEDRM
C=CC[C@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602178908	397335216	/nfs/dbraw/zinc/33/52/16/397335216.db2.gz	LCEKRYCGPCTJLN-NSHDSACASA-N	-1	0	302.334	0.635	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-]	ZINC000593270252	397346222	/nfs/dbraw/zinc/34/62/22/397346222.db2.gz	AKSLSLCPCTZKOQ-RHYQMDGZSA-N	-1	0	315.395	0.508	20	30		DCEDRM
N#Cc1cc(N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)ncn1	ZINC000593326059	397351274	/nfs/dbraw/zinc/35/12/74/397351274.db2.gz	HKCZTGWKXRCJCZ-JTQLQIEISA-N	-1	0	315.333	0.250	20	30		DCEDRM
C[C@H]1CSCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602148464	397322573	/nfs/dbraw/zinc/32/25/73/397322573.db2.gz	VWYQBGISTBEZLW-SECBINFHSA-N	-1	0	308.363	0.032	20	30		DCEDRM
C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H](C)C1	ZINC000602166322	397330111	/nfs/dbraw/zinc/33/01/11/397330111.db2.gz	LCENOYDBVZDPQS-GHMZBOCLSA-N	-1	0	304.350	0.858	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC[C@@H]1C(=O)[O-]	ZINC000599616017	397487142	/nfs/dbraw/zinc/48/71/42/397487142.db2.gz	CZOFTPCLXPTDKH-KOLCDFICSA-N	-1	0	316.317	0.461	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)cn1	ZINC000600034035	397565802	/nfs/dbraw/zinc/56/58/02/397565802.db2.gz	BPIAKALCDLMLGL-GXSJLCMTSA-N	-1	0	308.363	0.875	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCn3cccc3[C@H]2C(=O)[O-])CC1	ZINC000579959419	397600770	/nfs/dbraw/zinc/60/07/70/397600770.db2.gz	QYHFJUNOBAQLDA-LBPRGKRZSA-N	-1	0	323.374	0.953	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H](CC(=O)[O-])c1cccs1	ZINC000603555877	397616367	/nfs/dbraw/zinc/61/63/67/397616367.db2.gz	AOVMGVUUEDQCBE-SECBINFHSA-N	-1	0	317.392	0.944	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000070430348	158047861	/nfs/dbraw/zinc/04/78/61/158047861.db2.gz	WEJFXPALOGNAJC-QWRGUYRKSA-N	-1	0	310.331	0.075	20	30		DCEDRM
N#Cc1nc(NC(=O)C2CCN(c3cnccn3)CC2)[n-]c1C#N	ZINC000073758875	158056676	/nfs/dbraw/zinc/05/66/76/158056676.db2.gz	LKVGBXYMNGWPGY-UHFFFAOYSA-N	-1	0	322.332	0.798	20	30		DCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC000262500248	158819978	/nfs/dbraw/zinc/81/99/78/158819978.db2.gz	NKSIHSWPLJIDTR-NSHDSACASA-N	-1	0	318.329	0.764	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC000330129421	159144106	/nfs/dbraw/zinc/14/41/06/159144106.db2.gz	JZYSBIVHFUGPJU-NSHDSACASA-N	-1	0	314.301	0.540	20	30		DCEDRM
N#Cc1ccc(Cl)c(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1	ZINC000367525234	159342286	/nfs/dbraw/zinc/34/22/86/159342286.db2.gz	RXYXYLSWOLYZEO-LLVKDONJSA-N	-1	0	318.724	0.938	20	30		DCEDRM
C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)O1	ZINC000408484240	160118394	/nfs/dbraw/zinc/11/83/94/160118394.db2.gz	DTZHGPBZJVHQAC-KBVBSXBZSA-N	-1	0	309.347	0.572	20	30		DCEDRM
C[C@@](C#N)(NC(=O)CN1CCCC[C@H]1c1n[nH]c(=O)[n-]1)C1CC1	ZINC000332886820	415503546	/nfs/dbraw/zinc/50/35/46/415503546.db2.gz	QWELDQHRTHQVLP-NHYWBVRUSA-N	-1	0	318.381	0.846	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000092463996	415540702	/nfs/dbraw/zinc/54/07/02/415540702.db2.gz	AQNMVAAJSOXABK-UHFFFAOYSA-N	-1	0	300.292	0.856	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)c1	ZINC000354123660	415761107	/nfs/dbraw/zinc/76/11/07/415761107.db2.gz	AOWDTPZUDAOJFX-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)N1CCCCC1=O	ZINC000338769282	416135731	/nfs/dbraw/zinc/13/57/31/416135731.db2.gz	GEKPSDNNXXTGMO-SECBINFHSA-N	-1	0	300.322	0.883	20	30		DCEDRM
O=C(CSc1n[nH]c(=O)[n-]1)N1CCC[C@H]1C(=O)NC1CC1	ZINC000329578337	416178412	/nfs/dbraw/zinc/17/84/12/416178412.db2.gz	WGHDLMZKLLJQPQ-QMMMGPOBSA-N	-1	0	311.367	0.712	20	30		DCEDRM
N#Cc1ccc(C(=O)CNS(=O)(=O)C[C@@H]2CCOC2)cc1	ZINC000341073279	416202390	/nfs/dbraw/zinc/20/23/90/416202390.db2.gz	BMPSLKFWGLFSBJ-GFCCVEGCSA-N	-1	0	308.359	0.697	20	30		DCEDRM
C=CCC[C@H](NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)[O-]	ZINC000262972359	416337220	/nfs/dbraw/zinc/33/72/20/416337220.db2.gz	SSSUJMKWGNLWPF-RBZYPMLTSA-N	-1	0	312.391	0.976	20	30		DCEDRM
Cc1nc(N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)ccc1C#N	ZINC000416441576	416370179	/nfs/dbraw/zinc/37/01/79/416370179.db2.gz	FEBRMKGMUMKSNQ-TZMCWYRMSA-N	-1	0	316.361	1.384	20	30		DCEDRM
CC(C)Oc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1C#N	ZINC000422649093	416444584	/nfs/dbraw/zinc/44/45/84/416444584.db2.gz	GYNVCJMZLSIXJU-UHFFFAOYSA-N	-1	0	305.290	0.485	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000422719661	416447879	/nfs/dbraw/zinc/44/78/79/416447879.db2.gz	MBROOXLHGCGDAG-MNOVXSKESA-N	-1	0	314.407	0.591	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC000491696965	416616268	/nfs/dbraw/zinc/61/62/68/416616268.db2.gz	PAUZTGIVFGQREQ-SNVBAGLBSA-N	-1	0	311.345	0.970	20	30		DCEDRM
CC(=O)c1ccc(C#N)cc1N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424461793	416649087	/nfs/dbraw/zinc/64/90/87/416649087.db2.gz	AMKFTPSGXLWQIF-CYBMUJFWSA-N	-1	0	322.342	0.449	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CC(O)(CC#N)C2)c1	ZINC000424795048	416668163	/nfs/dbraw/zinc/66/81/63/416668163.db2.gz	OZWGEYNXOZPBKE-NRFANRHFSA-N	-1	0	308.359	0.290	20	30		DCEDRM
CCOC[C@@H](O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000443244874	416742003	/nfs/dbraw/zinc/74/20/03/416742003.db2.gz	LYYQQRKPHDESFJ-VIFPVBQESA-N	-1	0	320.317	0.512	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CC[C@](COC)(C(=O)[O-])C2)nn1	ZINC000425240448	416689197	/nfs/dbraw/zinc/68/91/97/416689197.db2.gz	AFWMZHIFNDEXNM-AWEZNQCLSA-N	-1	0	308.338	0.418	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CNC(=O)C2)c(F)c1	ZINC000444210019	416817916	/nfs/dbraw/zinc/81/79/16/416817916.db2.gz	FLDGZKLNKNYBLX-SSDOTTSWSA-N	-1	0	301.274	0.003	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccccn3n2)cc1F	ZINC000427773847	416846664	/nfs/dbraw/zinc/84/66/64/416846664.db2.gz	NEQAHFRZXBPGDK-UHFFFAOYSA-N	-1	0	317.305	1.541	20	30		DCEDRM
C=CCC[C@@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)[O-]	ZINC000567238518	417058926	/nfs/dbraw/zinc/05/89/26/417058926.db2.gz	OGEYMURKHIXRKS-ZJUUUORDSA-N	-1	0	324.299	0.785	20	30		DCEDRM
C=CCC[C@H](NC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)[O-]	ZINC000567238517	417060785	/nfs/dbraw/zinc/06/07/85/417060785.db2.gz	OGEYMURKHIXRKS-VHSXEESVSA-N	-1	0	324.299	0.785	20	30		DCEDRM
N#CC1(CS(=O)(=O)NC[C@H](Oc2ccccc2)C(=O)[O-])CC1	ZINC000567591330	417064523	/nfs/dbraw/zinc/06/45/23/417064523.db2.gz	BWGAENDCRUYYKZ-LBPRGKRZSA-N	-1	0	324.358	0.742	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)[O-]	ZINC000574116038	417478504	/nfs/dbraw/zinc/47/85/04/417478504.db2.gz	RPRZSOPRHRSWBN-NNYUYHANSA-N	-1	0	312.366	0.755	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000646046931	417862641	/nfs/dbraw/zinc/86/26/41/417862641.db2.gz	JPZJFVYUFDPULZ-SECBINFHSA-N	-1	0	304.324	0.226	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000647589394	418028744	/nfs/dbraw/zinc/02/87/44/418028744.db2.gz	JHZLZLNNEJPPMT-RYUDHWBXSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=C(C)CCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000659061682	418052178	/nfs/dbraw/zinc/05/21/78/418052178.db2.gz	XKZSBFVQHBTVEA-UHFFFAOYSA-N	-1	0	308.338	0.724	20	30		DCEDRM
C=CCCOCC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC000659221824	418070680	/nfs/dbraw/zinc/07/06/80/418070680.db2.gz	MJALUWGFIWKMPE-UHFFFAOYSA-N	-1	0	308.338	0.733	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659655183	418137446	/nfs/dbraw/zinc/13/74/46/418137446.db2.gz	FJPWNNWVCDEKFI-NWDGAFQWSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC000659657846	418138693	/nfs/dbraw/zinc/13/86/93/418138693.db2.gz	COMXQPVRZOSIRU-UHFFFAOYSA-N	-1	0	312.366	0.455	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1	ZINC000650424672	418309851	/nfs/dbraw/zinc/30/98/51/418309851.db2.gz	JFRPRWCACKQVCQ-QWRGUYRKSA-N	-1	0	313.379	0.426	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CCC[C@H](C)O1)C(=O)[O-]	ZINC000656598064	418366003	/nfs/dbraw/zinc/36/60/03/418366003.db2.gz	YEUAZIIGPSBZDZ-SRVKXCTJSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=CCC1(NS(=O)(=O)N(C)CCC(=O)[O-])CCOCC1	ZINC000656721657	418373309	/nfs/dbraw/zinc/37/33/09/418373309.db2.gz	QTYKFDXJPWOSTJ-UHFFFAOYSA-N	-1	0	306.384	0.353	20	30		DCEDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cncc(C#N)c1	ZINC000396997898	262163489	/nfs/dbraw/zinc/16/34/89/262163489.db2.gz	CWIGQQYNTBNQDD-ONGXEEELSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000420536571	262375344	/nfs/dbraw/zinc/37/53/44/262375344.db2.gz	WTYYKEYGAPVBEI-INIZCTEOSA-N	-1	0	315.329	0.498	20	30		DCEDRM
N#Cc1ccncc1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000487444692	269990046	/nfs/dbraw/zinc/99/00/46/269990046.db2.gz	ZDBJVSBLIMVVFN-UHFFFAOYSA-N	-1	0	307.273	0.887	20	30		DCEDRM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]1C(=O)[O-]	ZINC000521742275	268167470	/nfs/dbraw/zinc/16/74/70/268167470.db2.gz	QSHSVTNSKJFYRN-VIFPVBQESA-N	-1	0	311.275	0.314	20	30		DCEDRM
N#Cc1cccc(/C=C\C(=O)[N-]S(=O)(=O)c2cnccn2)c1	ZINC000492125123	268269771	/nfs/dbraw/zinc/26/97/71/268269771.db2.gz	PKYMWHXXWPDXDB-PLNGDYQASA-N	-1	0	314.326	0.867	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC000548200198	288119994	/nfs/dbraw/zinc/11/99/94/288119994.db2.gz	GLWAXAFUXURXGK-YPMHNXCESA-N	-1	0	324.358	0.635	20	30		DCEDRM
C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)o1	ZINC000554430154	288320295	/nfs/dbraw/zinc/32/02/95/288320295.db2.gz	GJIDNXFBCRGDOF-SVRRBLITSA-N	-1	0	302.333	0.688	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)NCC2(c3ccccc3)CC2)c1=O	ZINC000565362365	288846593	/nfs/dbraw/zinc/84/65/93/288846593.db2.gz	CHHOVLPRHPLNHK-UHFFFAOYSA-N	-1	0	324.340	0.256	20	30		DCEDRM
C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)n1nnnc1C(C)(C)C	ZINC000273475561	298196517	/nfs/dbraw/zinc/19/65/17/298196517.db2.gz	STZASRLRXATGPD-SSDOTTSWSA-N	-1	0	313.325	0.637	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000235732403	301077597	/nfs/dbraw/zinc/07/75/97/301077597.db2.gz	ZOCRRGUDSIFJTA-ZDUSSCGKSA-N	-1	0	310.331	0.389	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]2C(=O)[O-])cn1	ZINC000159695169	303196466	/nfs/dbraw/zinc/19/64/66/303196466.db2.gz	UJGBCNDMCYUVCF-GFCCVEGCSA-N	-1	0	309.347	0.971	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])s1	ZINC000230325550	303197768	/nfs/dbraw/zinc/19/77/68/303197768.db2.gz	NMSWNSBEDCQFEM-QMMMGPOBSA-N	-1	0	302.333	0.094	20	30		DCEDRM
C=CCN(C(=O)CC(C)(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000569384073	332073010	/nfs/dbraw/zinc/07/30/10/332073010.db2.gz	JLEPVUMKHLUFPV-JTQLQIEISA-N	-1	0	303.380	0.689	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C(=O)[O-]	ZINC000560445046	332339898	/nfs/dbraw/zinc/33/98/98/332339898.db2.gz	LIJXQCHKQJMMLC-NEPJUHHUSA-N	-1	0	312.366	0.263	20	30		DCEDRM
C=CCCS(=O)(=O)N1CC[C@H]([C@@H]2CCCO2)[C@@H]1C(=O)[O-]	ZINC000560480040	332344168	/nfs/dbraw/zinc/34/41/68/332344168.db2.gz	LXRNTPUUOWXDFO-GRYCIOLGSA-N	-1	0	303.380	0.846	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000574330409	332346169	/nfs/dbraw/zinc/34/61/69/332346169.db2.gz	UZOSAPXTSUWCDC-WPRPVWTQSA-N	-1	0	317.392	0.942	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C1(C(=O)NC2CC2)CCC1)C(=O)[O-]	ZINC000562620730	332609796	/nfs/dbraw/zinc/60/97/96/332609796.db2.gz	PLTWYYVMINTOPE-NSHDSACASA-N	-1	0	310.350	0.207	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1	ZINC000582941193	337220163	/nfs/dbraw/zinc/22/01/63/337220163.db2.gz	RFEIIFPALCOQOO-WCQYABFASA-N	-1	0	303.380	0.706	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCSC[C@H]2CC(=O)[O-])nn1	ZINC000425248718	337444129	/nfs/dbraw/zinc/44/41/29/337444129.db2.gz	RXQBFJQGOCKJRB-SNVBAGLBSA-N	-1	0	310.379	0.887	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000424487371	337839471	/nfs/dbraw/zinc/83/94/71/337839471.db2.gz	JWGFQJNBVYUUTE-XQHKEYJVSA-N	-1	0	324.377	0.263	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)OC)[C@@H](C)CC	ZINC000496439609	340005518	/nfs/dbraw/zinc/00/55/18/340005518.db2.gz	RDHLJOOTXWTKOJ-UWVGGRQHSA-N	-1	0	304.368	0.226	20	30		DCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000546254971	341159754	/nfs/dbraw/zinc/15/97/54/341159754.db2.gz	OSJOGWSYJLXOIM-QMMMGPOBSA-N	-1	0	316.310	0.727	20	30		DCEDRM
C[C@@H]1CC[C@@](CNS(=O)(=O)N(C)CCC#N)(CC(=O)[O-])C1	ZINC000548212165	341252787	/nfs/dbraw/zinc/25/27/87/341252787.db2.gz	KCDWDWQUBJDLSM-YPMHNXCESA-N	-1	0	317.411	0.947	20	30		DCEDRM
CCCSC[C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000548240411	341252952	/nfs/dbraw/zinc/25/29/52/341252952.db2.gz	BSFYOIOMSZKDCU-VIFPVBQESA-N	-1	0	306.409	0.806	20	30		DCEDRM
C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)N(C)CCC#N	ZINC000548266086	341253533	/nfs/dbraw/zinc/25/35/33/341253533.db2.gz	OCURLZUSOKQNRX-GHMZBOCLSA-N	-1	0	305.400	0.946	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000548525838	341265796	/nfs/dbraw/zinc/26/57/96/341265796.db2.gz	MFZZYUXCILVSFC-UHFFFAOYSA-N	-1	0	311.363	0.607	20	30		DCEDRM
CCOCCN(C[C@H](C)C(=O)[O-])S(=O)(=O)N(C)CCC#N	ZINC000548565614	341266039	/nfs/dbraw/zinc/26/60/39/341266039.db2.gz	QLPMNCKPGMLGKU-NSHDSACASA-N	-1	0	321.399	0.136	20	30		DCEDRM
C[C@@H](OC(C)(C)C)[C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000551588413	341346601	/nfs/dbraw/zinc/34/66/01/341346601.db2.gz	QIUOGMYCGZHLLP-ZJUUUORDSA-N	-1	0	318.395	0.866	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@](CC)(C(=O)[O-])C1	ZINC000565776865	341537923	/nfs/dbraw/zinc/53/79/23/341537923.db2.gz	HPLTUKUERYYJOU-DGCLKSJQSA-N	-1	0	317.411	0.899	20	30		DCEDRM
N#CCCCS(=O)(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC001601066327	1159780398	/nfs/dbraw/zinc/78/03/98/1159780398.db2.gz	ABBMLHNIKIOSDO-MNOVXSKESA-N	-1	0	304.368	0.479	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl	ZINC001602947389	1159785528	/nfs/dbraw/zinc/78/55/28/1159785528.db2.gz	WPNGNECMSZVJCG-UHFFFAOYSA-N	-1	0	309.709	0.853	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NS(=O)(=O)CC1(CC#N)CC1	ZINC001606785919	1159797488	/nfs/dbraw/zinc/79/74/88/1159797488.db2.gz	BRJSUCWIZNUAKD-NSHDSACASA-N	-1	0	304.368	0.479	20	30		DCEDRM
COC(=O)CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124167310	523100285	/nfs/dbraw/zinc/10/02/85/523100285.db2.gz	SEYRKKMKTAZZBA-UHFFFAOYSA-N	-1	0	304.274	0.678	20	30		DCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)CC(=O)[O-])cc1	ZINC000262414152	527046826	/nfs/dbraw/zinc/04/68/26/527046826.db2.gz	LXGVHWUAFXQGIK-UHFFFAOYSA-N	-1	0	324.358	0.145	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000263037306	527090860	/nfs/dbraw/zinc/09/08/60/527090860.db2.gz	LGXRVGPLARCQEM-CQSZACIVSA-N	-1	0	310.281	0.795	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c1	ZINC000276395632	527119764	/nfs/dbraw/zinc/11/97/64/527119764.db2.gz	YQCNKUFUWGWSMN-GFCCVEGCSA-N	-1	0	318.329	0.721	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(C)C	ZINC000281544618	527293273	/nfs/dbraw/zinc/29/32/73/527293273.db2.gz	NOGDDOVZMLTQRT-SNVBAGLBSA-N	-1	0	322.346	0.372	20	30		DCEDRM
CC(C)O[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000295446919	528049018	/nfs/dbraw/zinc/04/90/18/528049018.db2.gz	AQRXXYZIDGDKSZ-SNVBAGLBSA-N	-1	0	311.363	0.681	20	30		DCEDRM
CCCC[C@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)[O-]	ZINC000263450027	528995041	/nfs/dbraw/zinc/99/50/41/528995041.db2.gz	AFOLVINRVSFORU-QWRGUYRKSA-N	-1	0	305.400	0.946	20	30		DCEDRM
COc1ccnc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC000737155624	599183455	/nfs/dbraw/zinc/18/34/55/599183455.db2.gz	KKBKXZLOMXSDLQ-UHFFFAOYSA-N	-1	0	311.265	0.117	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)CSCC(=O)[O-])CC2)nc1	ZINC000740318124	597090140	/nfs/dbraw/zinc/09/01/40/597090140.db2.gz	VWRNUKDEHUXQOH-UHFFFAOYSA-N	-1	0	320.374	0.420	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)N[C@H](CC)C(=O)[O-])cc1	ZINC000817675275	597219921	/nfs/dbraw/zinc/21/99/21/597219921.db2.gz	IVPFMIYHKIOOQE-GFCCVEGCSA-N	-1	0	304.302	0.617	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000821324915	597456580	/nfs/dbraw/zinc/45/65/80/597456580.db2.gz	YPVPGKJBIWDIIG-CYBMUJFWSA-N	-1	0	304.302	0.443	20	30		DCEDRM
CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]2C1	ZINC000820702758	597605096	/nfs/dbraw/zinc/60/50/96/597605096.db2.gz	DHZPGZFRZLMWAT-YXMPFFBPSA-N	-1	0	310.350	0.786	20	30		DCEDRM
CC(C)CNC(=O)NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819980581	597625645	/nfs/dbraw/zinc/62/56/45/597625645.db2.gz	ZXSILPUMVQPRSL-ZDUSSCGKSA-N	-1	0	313.310	0.016	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2nccs2)CC1	ZINC000819821508	597629524	/nfs/dbraw/zinc/62/95/24/597629524.db2.gz	HWDLCTVXIVTTDY-CYBMUJFWSA-N	-1	0	308.363	0.796	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)COc1ccccc1	ZINC000819833996	597632676	/nfs/dbraw/zinc/63/26/76/597632676.db2.gz	LJNDGGCXGZFFKH-XHDPSFHLSA-N	-1	0	306.318	0.547	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1n[nH]cc1Br	ZINC000819841870	597644342	/nfs/dbraw/zinc/64/43/42/597644342.db2.gz	GDPYQBXDOMSUNQ-JTQLQIEISA-N	-1	0	315.127	0.793	20	30		DCEDRM
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000820377643	597650266	/nfs/dbraw/zinc/65/02/66/597650266.db2.gz	CKVWZPCQJCYIIN-ZOWXZIJZSA-N	-1	0	324.377	0.769	20	30		DCEDRM
Cn1cc([C@@]2(C)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO2)cn1	ZINC000821287121	597657893	/nfs/dbraw/zinc/65/78/93/597657893.db2.gz	FCRZEVQRPGMFDK-LSDHHAIUSA-N	-1	0	320.349	0.499	20	30		DCEDRM
Cc1c(C=NNCCC(=O)[O-])c(=O)n(-c2ccccc2)n1C	ZINC000820945253	597741327	/nfs/dbraw/zinc/74/13/27/597741327.db2.gz	SFFNIMXOCFGSMR-UHFFFAOYSA-N	-1	0	302.334	0.883	20	30		DCEDRM
CC(=O)Nc1ccc(C(C)=NOCC(=O)NCC(=O)[O-])cc1	ZINC000819788744	597759854	/nfs/dbraw/zinc/75/98/54/597759854.db2.gz	KOODZTGRKDZOJP-UHFFFAOYSA-N	-1	0	307.306	0.586	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCOCC2(CCOCC2)C1	ZINC000819821684	597819663	/nfs/dbraw/zinc/81/96/63/597819663.db2.gz	JFLMVAKVUAYEQT-AWEZNQCLSA-N	-1	0	310.350	0.647	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])cc1	ZINC000819720213	598159864	/nfs/dbraw/zinc/15/98/64/598159864.db2.gz	NGMUFHRNFLFSHG-VIFPVBQESA-N	-1	0	320.301	0.942	20	30		DCEDRM
Cc1cc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)nn1CCC#N	ZINC000821023778	598198578	/nfs/dbraw/zinc/19/85/78/598198578.db2.gz	LAXXNUXFSXAHFM-JTQLQIEISA-N	-1	0	307.310	0.423	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC(=O)NC1CCCCC1	ZINC000819835748	598224967	/nfs/dbraw/zinc/22/49/67/598224967.db2.gz	XMXHQMSSXDLRFT-HNNXBMFYSA-N	-1	0	309.366	0.946	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(=O)NCCc1ccccc1	ZINC000819833858	598225424	/nfs/dbraw/zinc/22/54/24/598225424.db2.gz	JOFWLOPLHJXCGU-INIZCTEOSA-N	-1	0	317.345	0.466	20	30		DCEDRM
Cn1cc(N2CCC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C2)cn1	ZINC000821298903	598228827	/nfs/dbraw/zinc/22/88/27/598228827.db2.gz	YSWIROCISFOVOE-ABAIWWIYSA-N	-1	0	319.365	0.510	20	30		DCEDRM
N#Cc1ccccc1N1CCN(Cn2cnc(C(=O)[O-])n2)CC1	ZINC000739146204	599705397	/nfs/dbraw/zinc/70/53/97/599705397.db2.gz	AUEZBWIOOQINLI-UHFFFAOYSA-N	-1	0	312.333	0.628	20	30		DCEDRM
CC(C)C[C@H](NC(=O)COC(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC000736417348	599791441	/nfs/dbraw/zinc/79/14/41/599791441.db2.gz	XLNWTESCYNCXJR-LBPRGKRZSA-N	-1	0	319.317	0.726	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CCO1	ZINC000739066902	599998181	/nfs/dbraw/zinc/99/81/81/599998181.db2.gz	UUSODHOVRKUTFU-SECBINFHSA-N	-1	0	321.264	0.213	20	30		DCEDRM
Cc1c(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cccc1C(=O)[O-]	ZINC000738301466	599998264	/nfs/dbraw/zinc/99/82/64/599998264.db2.gz	JKYCHWAHKFFIML-JTQLQIEISA-N	-1	0	317.301	0.383	20	30		DCEDRM
C[C@@H](OC(=O)CSc1ccc(C#N)cc1)C(=O)NCC(=O)[O-]	ZINC000736694541	600002821	/nfs/dbraw/zinc/00/28/21/600002821.db2.gz	XDMLGTQKJGSAEW-SECBINFHSA-N	-1	0	322.342	0.783	20	30		DCEDRM
CN(C(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-])C1(C#N)CCCCC1	ZINC000737321494	600177309	/nfs/dbraw/zinc/17/73/09/600177309.db2.gz	GEDQHBANRVOJES-MNOVXSKESA-N	-1	0	308.334	0.935	20	30		DCEDRM
N#Cc1cccc(OCC(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1	ZINC000739139105	600181332	/nfs/dbraw/zinc/18/13/32/600181332.db2.gz	DPEVVVGJCZIQQV-UHFFFAOYSA-N	-1	0	301.262	0.321	20	30		DCEDRM
COC(=O)CN(CC#N)C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000737602989	600405019	/nfs/dbraw/zinc/40/50/19/600405019.db2.gz	DCFCIXUNSBLSMM-UHFFFAOYSA-N	-1	0	306.274	0.289	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CN1c2ccccc2OCCC1=O	ZINC000739077129	600406927	/nfs/dbraw/zinc/40/69/27/600406927.db2.gz	INRIIILQHLZJCR-UHFFFAOYSA-N	-1	0	317.301	0.239	20	30		DCEDRM
CC(=O)NC[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC000736149714	600571799	/nfs/dbraw/zinc/57/17/99/600571799.db2.gz	ZTVCTKFHEAGOPS-HUUCEWRRSA-N	-1	0	317.345	0.521	20	30		DCEDRM
CN1C[C@H](C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1=O	ZINC000737509242	600610802	/nfs/dbraw/zinc/61/08/02/600610802.db2.gz	OLCVSGUFOCFWJG-YPMHNXCESA-N	-1	0	302.286	0.705	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000739077192	600788612	/nfs/dbraw/zinc/78/86/12/600788612.db2.gz	KFZLQHICPDKITE-CQSZACIVSA-N	-1	0	317.345	0.324	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cnc(Cl)c(Cl)c1	ZINC000739085362	600796935	/nfs/dbraw/zinc/79/69/35/600796935.db2.gz	FOCHAECIUCFPLE-UHFFFAOYSA-N	-1	0	324.145	0.987	20	30		DCEDRM
N#C[C@H]1CN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CCO1	ZINC000833063541	600797911	/nfs/dbraw/zinc/79/79/11/600797911.db2.gz	YSGPWBZSKDXTJB-GXSJLCMTSA-N	-1	0	321.358	0.776	20	30		DCEDRM
C[C@@](C#N)(NC(=O)CN(CC(=O)[O-])C1CCOCC1)C1CC1	ZINC000825966392	600853613	/nfs/dbraw/zinc/85/36/13/600853613.db2.gz	BNHDKXWYBFDSAL-HNNXBMFYSA-N	-1	0	309.366	0.360	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000833066134	601004909	/nfs/dbraw/zinc/00/49/09/601004909.db2.gz	OXCCSUHWYVHYBV-UHFFFAOYSA-N	-1	0	305.378	0.982	20	30		DCEDRM
C[C@](C#N)(NC(=O)CN1CCSC[C@H]1CC(=O)[O-])C1CC1	ZINC000825967211	601015852	/nfs/dbraw/zinc/01/58/52/601015852.db2.gz	ROJFUEBROFOBIS-BXUZGUMPSA-N	-1	0	311.407	0.687	20	30		DCEDRM
Cn1cc(Br)cc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000739025721	601019778	/nfs/dbraw/zinc/01/97/78/601019778.db2.gz	JXYUQSUTGWIOEV-UHFFFAOYSA-N	-1	0	300.112	0.838	20	30		DCEDRM
COC(=O)c1c(C)[nH]c(C(=O)CN(CC#N)CC(=O)[O-])c1C	ZINC000831218302	601226497	/nfs/dbraw/zinc/22/64/97/601226497.db2.gz	BNMLENOBNFYUFT-UHFFFAOYSA-N	-1	0	307.306	0.511	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)CCO1	ZINC000316014603	601238388	/nfs/dbraw/zinc/23/83/88/601238388.db2.gz	BEFMRACEIJDQSL-RYBZSIHZSA-N	-1	0	322.342	0.697	20	30		DCEDRM
C=CC[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccncc1	ZINC000825665111	601286757	/nfs/dbraw/zinc/28/67/57/601286757.db2.gz	URBYANMHUSZOBQ-NSHDSACASA-N	-1	0	301.306	0.805	20	30		DCEDRM
CCOC(=O)[C@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC000829837514	601320153	/nfs/dbraw/zinc/32/01/53/601320153.db2.gz	HPJGYNSPCKOJAW-KGLIPLIRSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C[C@H](CN(C)CCS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000163336518	601375975	/nfs/dbraw/zinc/37/59/75/601375975.db2.gz	BTBYIGZTRGQJTK-LLVKDONJSA-N	-1	0	310.375	0.984	20	30		DCEDRM
N#CCCn1ncc2c1ncnc2N1CC[C@@](F)(C(=O)[O-])C1	ZINC000833065531	601380196	/nfs/dbraw/zinc/38/01/96/601380196.db2.gz	BYUSTIIZQLMUNF-ZDUSSCGKSA-N	-1	0	304.285	0.743	20	30		DCEDRM
N#Cc1ccc(NC(=O)CS(=O)(=O)CCCC(=O)[O-])cc1	ZINC000833073381	601638806	/nfs/dbraw/zinc/63/88/06/601638806.db2.gz	MWLPOJSGLNCSEA-UHFFFAOYSA-N	-1	0	310.331	0.776	20	30		DCEDRM
C[C@@H](CS(=O)(=O)NCCOc1ccc(C#N)cc1)C(=O)[O-]	ZINC000827563265	601795121	/nfs/dbraw/zinc/79/51/21/601795121.db2.gz	KZHHKSUYZPAIJP-JTQLQIEISA-N	-1	0	312.347	0.577	20	30		DCEDRM
C=CCN(C(=O)C[C@@H](C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000823501606	603380971	/nfs/dbraw/zinc/38/09/71/603380971.db2.gz	ZUTGLMHGLLGFIT-ZJUUUORDSA-N	-1	0	304.368	0.234	20	30		DCEDRM
CN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000828086370	603476827	/nfs/dbraw/zinc/47/68/27/603476827.db2.gz	SXSGVTXWUWSZLN-SNVBAGLBSA-N	-1	0	310.335	0.326	20	30		DCEDRM
O=C(C#Cc1ccccc1)NCCN1CCN(C(=O)[O-])CC1	ZINC000831265602	603479309	/nfs/dbraw/zinc/47/93/09/603479309.db2.gz	RABWNCLXAMDHHF-UHFFFAOYSA-N	-1	0	301.346	0.450	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccc(F)cc1	ZINC000831082193	603590547	/nfs/dbraw/zinc/59/05/47/603590547.db2.gz	IQKGCECTPYVOEG-NSHDSACASA-N	-1	0	307.281	0.919	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1COc2ccccc2C1	ZINC000831076219	603594848	/nfs/dbraw/zinc/59/48/48/603594848.db2.gz	IDVYGIRFXXXOMX-QWHCGFSZSA-N	-1	0	315.329	0.952	20	30		DCEDRM
C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000824952159	603671404	/nfs/dbraw/zinc/67/14/04/603671404.db2.gz	KVKDKEMUKUQARH-QMMMGPOBSA-N	-1	0	322.296	0.750	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)Nc1cccc(F)c1	ZINC000831092377	603726472	/nfs/dbraw/zinc/72/64/72/603726472.db2.gz	VDXUPKVOSWRXSO-LBPRGKRZSA-N	-1	0	306.297	0.952	20	30		DCEDRM
C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825897092	603728238	/nfs/dbraw/zinc/72/82/38/603728238.db2.gz	VDKDMDHUUNLSMU-FRRDWIJNSA-N	-1	0	308.382	0.869	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C(C)(C)CNC(=O)[O-]	ZINC000824058347	603749378	/nfs/dbraw/zinc/74/93/78/603749378.db2.gz	YYAOVDZFHZFTGH-CQSZACIVSA-N	-1	0	313.354	0.878	20	30		DCEDRM
N#CCN1CCC(NC(=O)N2CCC[C@H]2CNC(=O)[O-])CC1	ZINC000831102401	603775654	/nfs/dbraw/zinc/77/56/54/603775654.db2.gz	JDSGGWUJOFEKBM-LBPRGKRZSA-N	-1	0	309.370	0.416	20	30		DCEDRM
C[C@](C#N)(NC(=O)CN1CCN(C(=O)[O-])CC1(C)C)C1CC1	ZINC000823647029	603912198	/nfs/dbraw/zinc/91/21/98/603912198.db2.gz	HWWJLKMDRFSSFW-OAHLLOKOSA-N	-1	0	308.382	0.869	20	30		DCEDRM
C[C@@]1(C(=O)NCC2CCN(CC#N)CC2)CCN(C(=O)[O-])C1	ZINC000825663265	604065120	/nfs/dbraw/zinc/06/51/20/604065120.db2.gz	NDWBVRQSFXUOIE-OAHLLOKOSA-N	-1	0	308.382	0.728	20	30		DCEDRM
Cc1ncc(Cl)c(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000830813325	604076255	/nfs/dbraw/zinc/07/62/55/604076255.db2.gz	OLLBGIPRDHIEQD-QMMMGPOBSA-N	-1	0	309.713	0.766	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CSCCS1	ZINC000831077173	604081748	/nfs/dbraw/zinc/08/17/48/604081748.db2.gz	XDJVABXSLUQPRW-BDAKNGLRSA-N	-1	0	301.393	0.549	20	30		DCEDRM
COC(=O)c1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)ccn1	ZINC000828741292	604083175	/nfs/dbraw/zinc/08/31/75/604083175.db2.gz	ZWGLVCHMGAOBDG-JTQLQIEISA-N	-1	0	318.289	0.196	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cn2cccnc2n1	ZINC000831091505	604089436	/nfs/dbraw/zinc/08/94/36/604089436.db2.gz	GMHYXNHTXIZHFF-VIFPVBQESA-N	-1	0	300.278	0.057	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)C1CC1	ZINC000825684888	604107128	/nfs/dbraw/zinc/10/71/28/604107128.db2.gz	MERYHXIJNMLONS-LSDHHAIUSA-N	-1	0	323.349	0.728	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])c1C#N	ZINC000830511481	604141210	/nfs/dbraw/zinc/14/12/10/604141210.db2.gz	IWVXFYXGLLPYIH-UHFFFAOYSA-N	-1	0	304.306	0.531	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)n1	ZINC000830985735	604154670	/nfs/dbraw/zinc/15/46/70/604154670.db2.gz	VLDJUBPLRFQWOG-SECBINFHSA-N	-1	0	306.326	0.803	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)C[C@H]1CCCCO1	ZINC000831091793	604244512	/nfs/dbraw/zinc/24/45/12/604244512.db2.gz	KWCXESHHKWNEOF-WDEREUQCSA-N	-1	0	317.367	0.073	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)n1	ZINC000833079836	604272712	/nfs/dbraw/zinc/27/27/12/604272712.db2.gz	ZSAHUPHQMJGVJK-QMMMGPOBSA-N	-1	0	305.319	0.543	20	30		DCEDRM
CC[C@](NC(=O)Cn1cnc(C#N)n1)(C(=O)[O-])c1ccccc1	ZINC000828943253	604311312	/nfs/dbraw/zinc/31/13/12/604311312.db2.gz	JRZPZWOZCVPWIN-OAHLLOKOSA-N	-1	0	313.317	0.656	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])nc1	ZINC000823466944	604400483	/nfs/dbraw/zinc/40/04/83/604400483.db2.gz	MSYXICBWJJVVKV-LBPRGKRZSA-N	-1	0	302.334	0.087	20	30		DCEDRM
C#CCCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1	ZINC000833364744	604518552	/nfs/dbraw/zinc/51/85/52/604518552.db2.gz	CAWWGKIIPQJDBO-OAHLLOKOSA-N	-1	0	316.357	0.864	20	30		DCEDRM
C[C@@H](OC(=O)c1cc(C#N)cn1C)c1cn(CC(=O)[O-])nn1	ZINC000827845307	604684203	/nfs/dbraw/zinc/68/42/03/604684203.db2.gz	WVYFNSRFJANPJP-MRVPVSSYSA-N	-1	0	303.278	0.491	20	30		DCEDRM
CC(=NNC(=S)Nc1cccnc1)c1cn(CC(=O)[O-])nn1	ZINC000825804500	604782795	/nfs/dbraw/zinc/78/27/95/604782795.db2.gz	KRKUHIXIRZFUJM-UHFFFAOYSA-N	-1	0	319.350	0.468	20	30		DCEDRM
CC(=NNC(=S)NCC(F)(F)F)c1cn(CC(=O)[O-])nn1	ZINC000825804850	604784998	/nfs/dbraw/zinc/78/49/98/604784998.db2.gz	YRDYQAZGLAXSEM-UHFFFAOYSA-N	-1	0	324.288	0.113	20	30		DCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1CCN(C(=O)[O-])C1	ZINC000831265961	604817469	/nfs/dbraw/zinc/81/74/69/604817469.db2.gz	WLZCZJJZFHEMOB-NSHDSACASA-N	-1	0	302.286	0.635	20	30		DCEDRM
O=C([O-])C[C@H]1C(=O)NCCN1CC#Cc1cccc(Cl)c1	ZINC000833206868	604834104	/nfs/dbraw/zinc/83/41/04/604834104.db2.gz	BNYYTGJSLXWXJY-ZDUSSCGKSA-N	-1	0	306.749	0.967	20	30		DCEDRM
C[C@H](NC(=O)[O-])C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000825185168	604961798	/nfs/dbraw/zinc/96/17/98/604961798.db2.gz	ANSKPFOICMTXFD-IONNQARKSA-N	-1	0	323.330	0.924	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000833370151	605060878	/nfs/dbraw/zinc/06/08/78/605060878.db2.gz	ITFMRRNIKNTALX-MRVPVSSYSA-N	-1	0	305.377	0.909	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000833371939	605093219	/nfs/dbraw/zinc/09/32/19/605093219.db2.gz	ZQMRJECZMXXEOO-SECBINFHSA-N	-1	0	324.308	0.763	20	30		DCEDRM
C#CCN(C(=O)CC(C)(C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000061827097	605107210	/nfs/dbraw/zinc/10/72/10/605107210.db2.gz	LDYGWACICUWCPI-NSHDSACASA-N	-1	0	315.391	0.526	20	30		DCEDRM
C=CCN1C(=O)C(=O)N(CCOc2ccccc2C(=O)[O-])C1=O	ZINC000833377088	605147363	/nfs/dbraw/zinc/14/73/63/605147363.db2.gz	LVSQQVPVUIVZMY-UHFFFAOYSA-N	-1	0	318.285	0.740	20	30		DCEDRM
C[C@H](CC(=O)OCC(=O)NCC#N)C1CCN(C(=O)[O-])CC1	ZINC000824727380	605234436	/nfs/dbraw/zinc/23/44/36/605234436.db2.gz	HEOXPVWGSFHSJW-SNVBAGLBSA-N	-1	0	311.338	0.586	20	30		DCEDRM
C#CCN(C[C@@H]1CC(C(=O)[O-])=C(C)O1)[C@H]1CCS(=O)(=O)C1	ZINC000833364127	605360124	/nfs/dbraw/zinc/36/01/24/605360124.db2.gz	FAFGLQYEMLPVGL-RYUDHWBXSA-N	-1	0	313.375	0.256	20	30		DCEDRM
O=C([O-])NCC(=O)NCC(=O)OCC#Cc1ccc(F)cc1	ZINC000834199483	605383451	/nfs/dbraw/zinc/38/34/51/605383451.db2.gz	YBYFGPQTQNMGOH-UHFFFAOYSA-N	-1	0	308.265	0.104	20	30		DCEDRM
N#CCCCS(=O)(=O)N1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1	ZINC000833965265	605421211	/nfs/dbraw/zinc/42/12/11/605421211.db2.gz	GWEUERAHNFMCCW-SDDRHHMPSA-N	-1	0	315.395	0.988	20	30		DCEDRM
N#CCCCS(=O)(=O)N1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1	ZINC000833965264	605421253	/nfs/dbraw/zinc/42/12/53/605421253.db2.gz	GWEUERAHNFMCCW-QJPTWQEYSA-N	-1	0	315.395	0.988	20	30		DCEDRM
N#CCCN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1	ZINC000833965905	605517120	/nfs/dbraw/zinc/51/71/20/605517120.db2.gz	UTLHCSNWBQVMGU-STQMWFEESA-N	-1	0	308.382	0.871	20	30		DCEDRM
C=CCN(C[C@@H]1CCCN1C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000833788156	605540265	/nfs/dbraw/zinc/54/02/65/605540265.db2.gz	OSGZKKRKPVDWSF-RYUDHWBXSA-N	-1	0	302.396	0.804	20	30		DCEDRM
C[C@H]1C[C@H](NC(=O)[O-])CCN1S(=O)(=O)N(C)CCC#N	ZINC000825843515	605542464	/nfs/dbraw/zinc/54/24/64/605542464.db2.gz	APLGFEFFDSQXFX-VHSXEESVSA-N	-1	0	304.372	0.197	20	30		DCEDRM
C[C@H]1C[C@@H](NC(=O)[O-])CCN1S(=O)(=O)N(C)CCC#N	ZINC000825843514	605542533	/nfs/dbraw/zinc/54/25/33/605542533.db2.gz	APLGFEFFDSQXFX-UWVGGRQHSA-N	-1	0	304.372	0.197	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@H](O)COc1ccccc1	ZINC000833968268	605683324	/nfs/dbraw/zinc/68/33/24/605683324.db2.gz	VBRUKBFTECZHCR-DYEKYZERSA-N	-1	0	305.334	0.518	20	30		DCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000833503836	605764242	/nfs/dbraw/zinc/76/42/42/605764242.db2.gz	KHMAQEZRVHSWEF-KGLIPLIRSA-N	-1	0	320.345	0.928	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1	ZINC000825219722	605783565	/nfs/dbraw/zinc/78/35/65/605783565.db2.gz	OQIJONCXOSIYMA-NXEZZACHSA-N	-1	0	306.326	0.044	20	30		DCEDRM
C=CCNC(=O)COC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823507453	605826490	/nfs/dbraw/zinc/82/64/90/605826490.db2.gz	YDVKEBCVACKXJY-SECBINFHSA-N	-1	0	302.352	0.317	20	30		DCEDRM
N#CCCn1ccc(NC(=O)NC[C@@H](NC(=O)[O-])C2CC2)n1	ZINC000833965224	605894703	/nfs/dbraw/zinc/89/47/03/605894703.db2.gz	FOSLQOGHELFGQK-SNVBAGLBSA-N	-1	0	306.326	0.964	20	30		DCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000833788069	605969897	/nfs/dbraw/zinc/96/98/97/605969897.db2.gz	MKYPFSJBFZHVGH-ZDUSSCGKSA-N	-1	0	302.302	0.656	20	30		DCEDRM
N#C[C@H](C(=O)CN(C(=O)[O-])C1CC1)C(=O)Nc1ccccn1	ZINC000833960801	605982714	/nfs/dbraw/zinc/98/27/14/605982714.db2.gz	LJGXYHVVZXYHHC-SNVBAGLBSA-N	-1	0	302.290	0.871	20	30		DCEDRM
O=C([O-])N1CCCC(=NNC2CCS(=O)(=O)CC2)CC1	ZINC000834097282	605992510	/nfs/dbraw/zinc/99/25/10/605992510.db2.gz	WWTVCANFUCMUAK-UHFFFAOYSA-N	-1	0	303.384	0.673	20	30		DCEDRM
O=C([O-])N[C@H]1CCCCCC1=NN[C@H]1CCS(=O)(=O)C1	ZINC000834186914	606076896	/nfs/dbraw/zinc/07/68/96/606076896.db2.gz	WGIXPHBUTRLHCG-UWVGGRQHSA-N	-1	0	303.384	0.719	20	30		DCEDRM
O=C([O-])NC[C@H]1CCCC1N=NC1CCS(=O)(=O)CC1	ZINC000834212607	606079632	/nfs/dbraw/zinc/07/96/32/606079632.db2.gz	UUILKYUAHDBAQC-SECBINFHSA-N	-1	0	303.384	0.577	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2cc(-c3nn[nH]n3)cs2)c1=O	ZINC000822515079	606204542	/nfs/dbraw/zinc/20/45/42/606204542.db2.gz	JGSIBZWTXPUIES-UHFFFAOYSA-N	-1	0	320.363	0.359	20	30		DCEDRM
COc1cc(C#N)ccc1Cn1cccc(-c2nnn[n-]2)c1=O	ZINC000826176757	608324195	/nfs/dbraw/zinc/32/41/95/608324195.db2.gz	BYRIBWXISHPUSE-UHFFFAOYSA-N	-1	0	308.301	0.957	20	30		DCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1	ZINC000899929508	663201822	/nfs/dbraw/zinc/20/18/22/663201822.db2.gz	GLEWSKNWPBDQOZ-LBPRGKRZSA-N	-1	0	300.380	0.517	20	30		DCEDRM
N#Cc1cc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)c[nH]1	ZINC001027836526	660816617	/nfs/dbraw/zinc/81/66/17/660816617.db2.gz	SMOUIYLVYGQKCH-LLVKDONJSA-N	-1	0	315.337	0.104	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC000981672061	661193634	/nfs/dbraw/zinc/19/36/34/661193634.db2.gz	MOWRJDRUYAOLEJ-JTQLQIEISA-N	-1	0	304.354	0.094	20	30		DCEDRM
Cn1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)c(=O)n(C)c1=O	ZINC000255434999	658063079	/nfs/dbraw/zinc/06/30/79/658063079.db2.gz	GHAQQSLXXVVEES-PLNGDYQASA-N	-1	0	304.277	0.825	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc2c1NC(=O)CO2	ZINC000892457877	658571848	/nfs/dbraw/zinc/57/18/48/658571848.db2.gz	QJWVOQMQFCJDQP-LLVKDONJSA-N	-1	0	313.313	0.962	20	30		DCEDRM
N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[n-]c2ccccc2c1=O	ZINC001032659352	665595319	/nfs/dbraw/zinc/59/53/19/665595319.db2.gz	ZYIKBNKEXFIMIH-QWRGUYRKSA-N	-1	0	309.329	0.758	20	30		DCEDRM
CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000181243324	659119358	/nfs/dbraw/zinc/11/93/58/659119358.db2.gz	VPQSJNQTBWTESG-UHFFFAOYSA-N	-1	0	318.358	0.973	20	30		DCEDRM
C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776117689	659403701	/nfs/dbraw/zinc/40/37/01/659403701.db2.gz	VOXQSKZFJIEYOR-WDEREUQCSA-N	-1	0	304.368	0.320	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccccc1N1CCCC1=O	ZINC000892881949	659497305	/nfs/dbraw/zinc/49/73/05/659497305.db2.gz	BNWGVYAUOPXYLU-UHFFFAOYSA-N	-1	0	322.386	0.988	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)N(C)CC(F)(F)F	ZINC000194993574	659525872	/nfs/dbraw/zinc/52/58/72/659525872.db2.gz	JQXZLJZINUWDHY-MRVPVSSYSA-N	-1	0	315.317	0.619	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)[C@H](CCC)C(=O)OCC	ZINC000892995202	659637528	/nfs/dbraw/zinc/63/75/28/659637528.db2.gz	VKCQURQKXVEHFP-SNVBAGLBSA-N	-1	0	321.420	0.531	20	30		DCEDRM
COC(=O)c1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)n1C	ZINC000814724654	661663879	/nfs/dbraw/zinc/66/38/79/661663879.db2.gz	VLCWOARHCNBIRS-UHFFFAOYSA-N	-1	0	307.335	0.243	20	30		DCEDRM
CCCC(=O)N1CSC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000727485768	662175653	/nfs/dbraw/zinc/17/56/53/662175653.db2.gz	RTUCFLFFFASJTC-JTQLQIEISA-N	-1	0	318.362	0.793	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CC[C@H](NCC#N)[C@@H]2C)cc1=O	ZINC000986503105	662594766	/nfs/dbraw/zinc/59/47/66/662594766.db2.gz	QFFDXFHSKCJCSP-JSGCOSHPSA-N	-1	0	319.409	0.477	20	30		DCEDRM
CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000729094268	662631756	/nfs/dbraw/zinc/63/17/56/662631756.db2.gz	AVLQGYCWVUKQQY-SNVBAGLBSA-N	-1	0	323.374	0.419	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)NCCOC1CCOCC1)C(=O)[O-]	ZINC000929017419	662772782	/nfs/dbraw/zinc/77/27/82/662772782.db2.gz	SLEZBWQTMDXJTN-GFCCVEGCSA-N	-1	0	300.355	0.901	20	30		DCEDRM
CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)n(C)n1	ZINC000080253076	662990468	/nfs/dbraw/zinc/99/04/68/662990468.db2.gz	MRRRUBUVIVBCEM-UHFFFAOYSA-N	-1	0	311.367	0.971	20	30		DCEDRM
C=CCCNC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC000898848278	663110211	/nfs/dbraw/zinc/11/02/11/663110211.db2.gz	KZBIFDFRWVDZEQ-VTWZXRTESA-N	-1	0	310.350	0.858	20	30		DCEDRM
COc1ccc(S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)cn1	ZINC000899927587	663201319	/nfs/dbraw/zinc/20/13/19/663201319.db2.gz	YKBOAHMITVSIPP-LLVKDONJSA-N	-1	0	324.358	0.579	20	30		DCEDRM
CC(C)n1cncc1/C=C\C(=O)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000901511175	663349004	/nfs/dbraw/zinc/34/90/04/663349004.db2.gz	RBXYJVGUWGKFFI-WAYWQWQTSA-N	-1	0	318.333	0.463	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000902047872	663380660	/nfs/dbraw/zinc/38/06/60/663380660.db2.gz	KWGRGTKNOCUTRA-NSHDSACASA-N	-1	0	309.347	0.368	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])C(F)(F)C1	ZINC000905993552	663594509	/nfs/dbraw/zinc/59/45/09/663594509.db2.gz	GDOXCCNROFGWOR-QMMMGPOBSA-N	-1	0	310.322	0.908	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCc2nc(C)ncc2C1	ZINC000908771827	663769084	/nfs/dbraw/zinc/76/90/84/663769084.db2.gz	UBTZNBMMGSEUEK-GFCCVEGCSA-N	-1	0	304.350	0.925	20	30		DCEDRM
C=CCC[C@H](NC(=O)NC[C@H](C)CN1CCOCC1)C(=O)[O-]	ZINC000908913044	663774146	/nfs/dbraw/zinc/77/41/46/663774146.db2.gz	DMDYWVRHUWPDBK-STQMWFEESA-N	-1	0	313.398	0.673	20	30		DCEDRM
C#CCSCCNC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000909053242	663779806	/nfs/dbraw/zinc/77/98/06/663779806.db2.gz	WAFVXRHDVMXAER-MNOVXSKESA-N	-1	0	300.380	0.674	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@H](c2ccnn2C)C1	ZINC000909221504	663787912	/nfs/dbraw/zinc/78/79/12/663787912.db2.gz	LWKPTSKMPIGGCB-AAEUAGOBSA-N	-1	0	322.365	0.922	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2	ZINC000909794089	663806228	/nfs/dbraw/zinc/80/62/28/663806228.db2.gz	OYURUSWLSHKFDE-HZMBPMFUSA-N	-1	0	303.314	0.902	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000909861764	663815802	/nfs/dbraw/zinc/81/58/02/663815802.db2.gz	JKEXIWIDDTVQEU-GHMZBOCLSA-N	-1	0	306.322	0.178	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-]	ZINC000910051200	663836877	/nfs/dbraw/zinc/83/68/77/663836877.db2.gz	GLOXWFYNOSCGKL-ZYHUDNBSSA-N	-1	0	304.302	0.221	20	30		DCEDRM
C#CC[C@H](NC(=O)CCNC(=O)Cc1ccccc1)C(=O)[O-]	ZINC000910052885	663837328	/nfs/dbraw/zinc/83/73/28/663837328.db2.gz	JMDGGBUHDPEYJH-ZDUSSCGKSA-N	-1	0	302.330	0.328	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O)C(=O)[O-]	ZINC000910053762	663837844	/nfs/dbraw/zinc/83/78/44/663837844.db2.gz	CXKAUJASZZVMDZ-STQMWFEESA-N	-1	0	318.304	0.771	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CSCN1C(=O)CCCC)C(=O)[O-]	ZINC000910054901	663837887	/nfs/dbraw/zinc/83/78/87/663837887.db2.gz	ULOGMFFXSAUGQF-QWRGUYRKSA-N	-1	0	312.391	0.671	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CSC(c2ccccc2O)=N1)C(=O)[O-]	ZINC000910050085	663840788	/nfs/dbraw/zinc/84/07/88/663840788.db2.gz	FDDBRKCVTHDWMH-QWRGUYRKSA-N	-1	0	318.354	0.847	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)[O-]	ZINC000910267791	663862043	/nfs/dbraw/zinc/86/20/43/663862043.db2.gz	VIEVOHXLAIHOGA-GYIHNLGQSA-N	-1	0	315.753	0.940	20	30		DCEDRM
C#CCONC(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1	ZINC000912450107	664177026	/nfs/dbraw/zinc/17/70/26/664177026.db2.gz	HBXGMNRYLPVXGC-OAHLLOKOSA-N	-1	0	312.366	0.820	20	30		DCEDRM
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1c[nH]nc1C#N	ZINC000912562335	664185891	/nfs/dbraw/zinc/18/58/91/664185891.db2.gz	HDIPIJZESPARHA-UHFFFAOYSA-N	-1	0	324.322	0.290	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000842356718	664610559	/nfs/dbraw/zinc/61/05/59/664610559.db2.gz	AAFSGKCVTHTVIR-LBPRGKRZSA-N	-1	0	307.368	0.224	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000174128366	664636549	/nfs/dbraw/zinc/63/65/49/664636549.db2.gz	OADCSRGVCUKJSZ-UHFFFAOYSA-N	-1	0	321.786	0.861	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@@H](NCC#N)[C@H]3C2)c1[O-]	ZINC000992702786	664759639	/nfs/dbraw/zinc/75/96/39/664759639.db2.gz	ZVFAKZTWDCVCLZ-SDDRHHMPSA-N	-1	0	303.366	0.778	20	30		DCEDRM
CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000753944643	664761618	/nfs/dbraw/zinc/76/16/18/664761618.db2.gz	CLQZBPNKWHSLFL-UHFFFAOYSA-N	-1	0	321.358	0.410	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CC(=O)N(C)C2)n1	ZINC000914920696	664839542	/nfs/dbraw/zinc/83/95/42/664839542.db2.gz	CQHMMWSJGIKXJH-NXEZZACHSA-N	-1	0	321.358	0.649	20	30		DCEDRM
CCS(=O)(=O)[N-]C(=O)CCc1c(C)nn(CCC#N)c1C	ZINC000732606488	664948411	/nfs/dbraw/zinc/94/84/11/664948411.db2.gz	IFVFEPRFPBPXCI-UHFFFAOYSA-N	-1	0	312.395	0.812	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(NC(N)=O)cc1	ZINC000916892753	665099363	/nfs/dbraw/zinc/09/93/63/665099363.db2.gz	PDYMPAUNGLPFCU-NSHDSACASA-N	-1	0	304.306	0.262	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)C(=O)N(C)C2=O	ZINC000916917454	665100836	/nfs/dbraw/zinc/10/08/36/665100836.db2.gz	KRJIAZKFCMPXQH-LBPRGKRZSA-N	-1	0	311.297	0.537	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(-c2ccc(F)cc2C)nn1	ZINC000179488783	665359231	/nfs/dbraw/zinc/35/92/31/665359231.db2.gz	NAAQAOSWHNDQHE-JTQLQIEISA-N	-1	0	301.281	0.783	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1CCN(CC(F)(F)F)CC1	ZINC000132733574	666596289	/nfs/dbraw/zinc/59/62/89/666596289.db2.gz	BHOOIYCRQWEXLG-UHFFFAOYSA-N	-1	0	314.329	0.893	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C(=O)OCC)cnc1C	ZINC000788071962	667019819	/nfs/dbraw/zinc/01/98/19/667019819.db2.gz	RHOQIPCLIBKWRT-UHFFFAOYSA-N	-1	0	324.358	0.650	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cncc(Cl)c1	ZINC000119425712	667134933	/nfs/dbraw/zinc/13/49/33/667134933.db2.gz	IUEYQHJAGGIHLO-UHFFFAOYSA-N	-1	0	302.739	0.580	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000863409388	667140597	/nfs/dbraw/zinc/14/05/97/667140597.db2.gz	ZTDOEVLMMMCBMD-NSHDSACASA-N	-1	0	316.379	0.812	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000863802070	667184253	/nfs/dbraw/zinc/18/42/53/667184253.db2.gz	KDDXBEPZBXWLDD-UWVGGRQHSA-N	-1	0	308.300	0.844	20	30		DCEDRM
C=CCOc1cccnc1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC000864214572	667225658	/nfs/dbraw/zinc/22/56/58/667225658.db2.gz	KFBZGKHOLKCCJB-ZWNOBZJWSA-N	-1	0	306.318	0.866	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCc1ccc(OC)nc1)C(=O)[O-]	ZINC000923079515	667460974	/nfs/dbraw/zinc/46/09/74/667460974.db2.gz	QYSGRSMTBDBMTK-GFCCVEGCSA-N	-1	0	308.334	0.795	20	30		DCEDRM
COC(=O)Cc1sccc1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000868562205	667581243	/nfs/dbraw/zinc/58/12/43/667581243.db2.gz	DPANLHHADABIDX-VIFPVBQESA-N	-1	0	312.347	0.574	20	30		DCEDRM
C=CC(=O)Nc1cccc(C(=O)N[C@@H]2CCCN(O)C2=O)c1	ZINC000868562206	667581369	/nfs/dbraw/zinc/58/13/69/667581369.db2.gz	DPIRJJRBTIDPCJ-GFCCVEGCSA-N	-1	0	303.318	0.921	20	30		DCEDRM
C#CCO[N-]C(=O)[C@]1(CNC(=O)OC(C)(C)C)CCCOC1	ZINC000869254351	667642242	/nfs/dbraw/zinc/64/22/42/667642242.db2.gz	OBLQNYYJRVTMBW-HNNXBMFYSA-N	-1	0	312.366	0.989	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000838803019	667708418	/nfs/dbraw/zinc/70/84/18/667708418.db2.gz	WEBDIVKVJINJDL-UHFFFAOYSA-N	-1	0	322.342	0.474	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)N1C	ZINC000838805084	667709098	/nfs/dbraw/zinc/70/90/98/667709098.db2.gz	DQXWTDBQTVWEQH-LLVKDONJSA-N	-1	0	321.358	0.292	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@H](C)CC2	ZINC000870134632	667712457	/nfs/dbraw/zinc/71/24/57/667712457.db2.gz	QVIQEVLCBQXLBS-VXGBXAGGSA-N	-1	0	318.377	0.941	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1	ZINC000838918273	667717473	/nfs/dbraw/zinc/71/74/73/667717473.db2.gz	VUWJSKGYLHWODI-SECBINFHSA-N	-1	0	324.362	0.744	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn(C)c2-n2cccc2)CC1	ZINC000870831673	667764986	/nfs/dbraw/zinc/76/49/86/667764986.db2.gz	AHTXFKGUWYPYMZ-UHFFFAOYSA-N	-1	0	320.374	0.989	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnc2c(cnn2C)c1	ZINC000747479295	667904632	/nfs/dbraw/zinc/90/46/32/667904632.db2.gz	LMMYWFQAOSCYBF-LBPRGKRZSA-N	-1	0	315.333	0.443	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cccc2)nc1	ZINC000753394777	668029875	/nfs/dbraw/zinc/02/98/75/668029875.db2.gz	LTHITNZJGYJDRE-CYBMUJFWSA-N	-1	0	312.329	0.957	20	30		DCEDRM
Cc1nn(C)c(C)c1CCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000753945546	668038479	/nfs/dbraw/zinc/03/84/79/668038479.db2.gz	QZDJBHUUAZWZEY-UHFFFAOYSA-N	-1	0	324.406	0.719	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cn3ccccc3n2)CC1	ZINC000753945832	668038641	/nfs/dbraw/zinc/03/86/41/668038641.db2.gz	VIGGDBMDNZBNAN-UHFFFAOYSA-N	-1	0	304.331	0.698	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)n1nnnc1C(C)(C)C	ZINC000755759584	668065602	/nfs/dbraw/zinc/06/56/02/668065602.db2.gz	OEMHNPWXHYQOCC-QMMMGPOBSA-N	-1	0	301.372	0.164	20	30		DCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)CCOC1	ZINC000755845459	668067598	/nfs/dbraw/zinc/06/75/98/668067598.db2.gz	SKDUDUAIKYUHMF-GFCCVEGCSA-N	-1	0	300.380	0.943	20	30		DCEDRM
C#CCOCCC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000756310448	668085721	/nfs/dbraw/zinc/08/57/21/668085721.db2.gz	WAWBQUIMKNKPSX-UHFFFAOYSA-N	-1	0	322.342	0.592	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccon1)OCC	ZINC000756565459	668093057	/nfs/dbraw/zinc/09/30/57/668093057.db2.gz	IGXPUQZQVWFYDO-LLVKDONJSA-N	-1	0	302.352	0.992	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1cncc(Cl)c1	ZINC000756600408	668094548	/nfs/dbraw/zinc/09/45/48/668094548.db2.gz	DUMLXPWBSSUEMK-UHFFFAOYSA-N	-1	0	305.768	0.797	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cncc(N2CCOCC2)c1	ZINC000757407324	668130659	/nfs/dbraw/zinc/13/06/59/668130659.db2.gz	CSJGHPOCXJMACK-CQSZACIVSA-N	-1	0	314.345	0.543	20	30		DCEDRM
CC(=NN[C@@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758085664	668155811	/nfs/dbraw/zinc/15/58/11/668155811.db2.gz	ZTTNSQRXCJMZRH-SECBINFHSA-N	-1	0	313.335	0.801	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)n1	ZINC000874427417	668185450	/nfs/dbraw/zinc/18/54/50/668185450.db2.gz	SGFOEWHBPALFPE-AULYBMBSSA-N	-1	0	304.350	0.911	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000760391422	668270048	/nfs/dbraw/zinc/27/00/48/668270048.db2.gz	WWHJEUYVVCLZCW-UHFFFAOYSA-N	-1	0	312.391	0.946	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(N2CCNC2=O)cc1	ZINC000762066388	668345534	/nfs/dbraw/zinc/34/55/34/668345534.db2.gz	CDVHKHFRFAJOJT-UHFFFAOYSA-N	-1	0	303.318	0.929	20	30		DCEDRM
COC(=O)Cn1cc(C(C)N=Nc2ccc(C(=O)[O-])cn2)nn1	ZINC000763372115	668407321	/nfs/dbraw/zinc/40/73/21/668407321.db2.gz	SXQCSQQDPIUUGI-UHFFFAOYSA-N	-1	0	318.293	0.380	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2cnc(Cl)n2C)n1	ZINC000765096578	668475673	/nfs/dbraw/zinc/47/56/73/668475673.db2.gz	ZYUPDHPNSAGHIF-UHFFFAOYSA-N	-1	0	300.731	0.479	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000766650209	668541404	/nfs/dbraw/zinc/54/14/04/668541404.db2.gz	WITOCJOBJLYZJK-UHFFFAOYSA-N	-1	0	324.300	0.590	20	30		DCEDRM
O=C([O-])Cn1cc(/C=C2/S/C(=N/C3CCCC3)NC2=O)nn1	ZINC000768850040	668625086	/nfs/dbraw/zinc/62/50/86/668625086.db2.gz	XVLATIPRCFQHHD-BJMVGYQFSA-N	-1	0	321.362	0.865	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)N[C@H](COC)[C@@H]1CCCO1)C(=O)[O-]	ZINC000929048359	668647751	/nfs/dbraw/zinc/64/77/51/668647751.db2.gz	DMXIPYVLPMZIBJ-TUAOUCFPSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](C)[C@H]1CCCOC1)C(=O)[O-]	ZINC000929052653	668648276	/nfs/dbraw/zinc/64/82/76/668648276.db2.gz	PRJVIULKTIOCPN-SRVKXCTJSA-N	-1	0	300.355	0.757	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CSCCS2)CCC1	ZINC000771079197	668729844	/nfs/dbraw/zinc/72/98/44/668729844.db2.gz	RSQQXZOUSUJXCJ-SECBINFHSA-N	-1	0	320.461	0.975	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1cnn(C)c1	ZINC000771077219	668730221	/nfs/dbraw/zinc/73/02/21/668730221.db2.gz	CIVLBPBEMCZLET-SNVBAGLBSA-N	-1	0	310.379	0.663	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CN1c2ccccc2O[C@@H](C)C1=O	ZINC000772709434	668781894	/nfs/dbraw/zinc/78/18/94/668781894.db2.gz	DPCOPCNTWXTKNZ-JTQLQIEISA-N	-1	0	324.358	0.433	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H]1Oc2ccccc2NC1=O	ZINC000772713005	668782086	/nfs/dbraw/zinc/78/20/86/668782086.db2.gz	LUGLUPOWYZFCNY-NSHDSACASA-N	-1	0	310.331	0.408	20	30		DCEDRM
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1n[nH]cc1C#N	ZINC000773377517	668801970	/nfs/dbraw/zinc/80/19/70/668801970.db2.gz	YOMOZSMRHZTOJK-UHFFFAOYSA-N	-1	0	324.322	0.290	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)[N-]OCCOCC)c1	ZINC000773625307	668809515	/nfs/dbraw/zinc/80/95/15/668809515.db2.gz	QPBHGSKFBLGCSP-UHFFFAOYSA-N	-1	0	306.318	0.721	20	30		DCEDRM
COCCCOCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000776067852	668870685	/nfs/dbraw/zinc/87/06/85/668870685.db2.gz	VSEYRVBBAKOTAW-UHFFFAOYSA-N	-1	0	312.347	0.416	20	30		DCEDRM
CC(C)(C)C(=O)NCCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776117139	668871168	/nfs/dbraw/zinc/87/11/68/668871168.db2.gz	KABKRBNULSRXDH-UHFFFAOYSA-N	-1	0	317.411	0.679	20	30		DCEDRM
CC(=NNCCS(C)(=O)=O)c1cc(C(=O)[O-])c(C)nc1C	ZINC000776728507	668880477	/nfs/dbraw/zinc/88/04/77/668880477.db2.gz	FOWPAAZSQVHTTH-UHFFFAOYSA-N	-1	0	313.379	0.755	20	30		DCEDRM
CC(=NNCCS(C)(=O)=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000776770336	668880882	/nfs/dbraw/zinc/88/08/82/668880882.db2.gz	UARJCTCEBXCJDB-UHFFFAOYSA-N	-1	0	302.327	0.882	20	30		DCEDRM
CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	ZINC000777319096	668886270	/nfs/dbraw/zinc/88/62/70/668886270.db2.gz	ZCTMFBOBWRKVKA-ZDUSSCGKSA-N	-1	0	307.375	0.993	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C(CC)CC)N1CCOCC1	ZINC000778693035	668902715	/nfs/dbraw/zinc/90/27/15/668902715.db2.gz	QIDNPIVTQVUBIB-CYBMUJFWSA-N	-1	0	318.439	0.755	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1	ZINC000778691875	668902751	/nfs/dbraw/zinc/90/27/51/668902751.db2.gz	GINXJNYQZKUQGW-UPJWGTAASA-N	-1	0	318.439	0.752	20	30		DCEDRM
Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cn1	ZINC000779320206	668909708	/nfs/dbraw/zinc/90/97/08/668909708.db2.gz	SOBJFTQWVUPICQ-SNAWJCMRSA-N	-1	0	322.390	0.963	20	30		DCEDRM
C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000779543774	668912875	/nfs/dbraw/zinc/91/28/75/668912875.db2.gz	YPGJNUOFSKHOII-AMIZOPFISA-N	-1	0	303.318	0.478	20	30		DCEDRM
CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000781591904	669052008	/nfs/dbraw/zinc/05/20/08/669052008.db2.gz	HVAISNBGUXKGKJ-GZMMTYOYSA-N	-1	0	312.322	0.927	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1	ZINC000782631211	669113930	/nfs/dbraw/zinc/11/39/30/669113930.db2.gz	DLZJQHSZNDFGLQ-UHFFFAOYSA-N	-1	0	302.739	0.580	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC(=O)N(C)C[C@@H]2C)cc1C#N	ZINC000783754988	669171436	/nfs/dbraw/zinc/17/14/36/669171436.db2.gz	MGCDSNRBVWPQJM-QMMMGPOBSA-N	-1	0	320.374	0.683	20	30		DCEDRM
COc1cc(C=NN2CN=NC2=O)ccc1OCCC(=O)[O-]	ZINC000783864662	669179327	/nfs/dbraw/zinc/17/93/27/669179327.db2.gz	STQJHBVAYKRRPS-UHFFFAOYSA-N	-1	0	306.278	0.728	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)CO1	ZINC000784502221	669207488	/nfs/dbraw/zinc/20/74/88/669207488.db2.gz	XYEIJBZIRKBRQK-GXFFZTMASA-N	-1	0	308.359	0.929	20	30		DCEDRM
COCC1(C(=O)OCc2cc(=O)n3[n-]cc(C#N)c3n2)CC1	ZINC000784583678	669212423	/nfs/dbraw/zinc/21/24/23/669212423.db2.gz	AZYFQZMAEFRALD-UHFFFAOYSA-N	-1	0	302.290	0.776	20	30		DCEDRM
C=CCNC(=O)[C@H](C)n1cc(C[N-]C(=O)C(F)(F)F)nn1	ZINC000881108861	669298278	/nfs/dbraw/zinc/29/82/78/669298278.db2.gz	ONDAUVGWYRTAQT-ZETCQYMHSA-N	-1	0	305.260	0.320	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC000788341258	669431761	/nfs/dbraw/zinc/43/17/61/669431761.db2.gz	QSAKDIFQBISOEC-LBPRGKRZSA-N	-1	0	303.318	0.890	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000789486831	669498271	/nfs/dbraw/zinc/49/82/71/669498271.db2.gz	OOVQMAULOICTLK-UHFFFAOYSA-N	-1	0	314.319	0.911	20	30		DCEDRM
COc1cccc(OCC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000793200431	669707163	/nfs/dbraw/zinc/70/71/63/669707163.db2.gz	BHERUBZWFFDUEH-UHFFFAOYSA-N	-1	0	324.358	0.824	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCO3)CC1	ZINC000793204771	669707275	/nfs/dbraw/zinc/70/72/75/669707275.db2.gz	LCNUWFHVCFZGED-UHFFFAOYSA-N	-1	0	306.343	0.985	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCOC2CCOCC2)CC1	ZINC000793205449	669707314	/nfs/dbraw/zinc/70/73/14/669707314.db2.gz	NYTPHUJZCOGITL-UHFFFAOYSA-N	-1	0	316.379	0.322	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cc3n(n2)CCCO3)CC1	ZINC000793198480	669707540	/nfs/dbraw/zinc/70/75/40/669707540.db2.gz	YWQIAOHUJSGSBA-UHFFFAOYSA-N	-1	0	310.335	0.029	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C(F)(F)c2nccs2)CC1	ZINC000793212707	669708389	/nfs/dbraw/zinc/70/83/89/669708389.db2.gz	SUFHGUPYGIZVBW-UHFFFAOYSA-N	-1	0	321.330	0.985	20	30		DCEDRM
COC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCOCC1	ZINC000793224854	669708444	/nfs/dbraw/zinc/70/84/44/669708444.db2.gz	USFWUQUBRGSTPC-UHFFFAOYSA-N	-1	0	316.379	0.322	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccccc1Cn1cncn1	ZINC000132749262	669744385	/nfs/dbraw/zinc/74/43/85/669744385.db2.gz	UCRNDJXTPPLLRQ-UHFFFAOYSA-N	-1	0	306.347	0.572	20	30		DCEDRM
CN(C)Cc1cnc(/C=C/C(=O)c2cnc([O-])n(C)c2=O)s1	ZINC000794698670	669859894	/nfs/dbraw/zinc/85/98/94/669859894.db2.gz	AWZVACFTDWGKIY-SNAWJCMRSA-N	-1	0	320.374	0.900	20	30		DCEDRM
C[C@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000796811528	669942891	/nfs/dbraw/zinc/94/28/91/669942891.db2.gz	JTDQULPRWDKHNQ-NXEZZACHSA-N	-1	0	300.380	0.987	20	30		DCEDRM
Cc1nnc([S-])n(N=C[C@H](C)NC(=O)OC(C)(C)C)c1=O	ZINC000799105828	670040427	/nfs/dbraw/zinc/04/04/27/670040427.db2.gz	LJPIUYFPFBAEPI-ZETCQYMHSA-N	-1	0	313.383	0.983	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCCC(=O)N2)n1	ZINC000800241556	670082141	/nfs/dbraw/zinc/08/21/41/670082141.db2.gz	CKRYDIZRGNAVTD-VHSXEESVSA-N	-1	0	321.358	0.840	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cncc(-n2ccnn2)c1	ZINC000802126281	670151415	/nfs/dbraw/zinc/15/14/15/670151415.db2.gz	JAOKSTYNDXTCGS-UHFFFAOYSA-N	-1	0	320.334	0.026	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC000951785297	670369743	/nfs/dbraw/zinc/36/97/43/670369743.db2.gz	HSXSPWWPDIVACR-NEPJUHHUSA-N	-1	0	321.381	0.134	20	30		DCEDRM
COc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000808096701	670389378	/nfs/dbraw/zinc/38/93/78/670389378.db2.gz	VDABXKXUEKFODU-UHFFFAOYSA-N	-1	0	309.307	0.564	20	30		DCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCO2	ZINC000810528991	670488812	/nfs/dbraw/zinc/48/88/12/670488812.db2.gz	ZGDZDWAVFRUDNN-NSHDSACASA-N	-1	0	320.349	0.529	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(NC)c([N+](=O)[O-])c1	ZINC000810771109	670496603	/nfs/dbraw/zinc/49/66/03/670496603.db2.gz	FXQBMQWNZWNHLN-UHFFFAOYSA-N	-1	0	311.319	0.719	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)N2CCCC2)c1	ZINC000810779234	670497541	/nfs/dbraw/zinc/49/75/41/670497541.db2.gz	FAVOEAIJBFURFW-UHFFFAOYSA-N	-1	0	323.374	0.334	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C(C)=O)c(C)nc1C	ZINC000810782291	670497650	/nfs/dbraw/zinc/49/76/50/670497650.db2.gz	KZTPYFQIZPSXRA-UHFFFAOYSA-N	-1	0	308.359	0.984	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCn1c(C)cc(=O)cc1C	ZINC000810782332	670497727	/nfs/dbraw/zinc/49/77/27/670497727.db2.gz	MXDCSEPFDWLASN-UHFFFAOYSA-N	-1	0	324.402	0.715	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2=O)cc1	ZINC000810782714	670497734	/nfs/dbraw/zinc/49/77/34/670497734.db2.gz	SYZUEVAJFJCBBW-UHFFFAOYSA-N	-1	0	320.370	0.896	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)CC)C1	ZINC000810782640	670497782	/nfs/dbraw/zinc/49/77/82/670497782.db2.gz	QSSQRTJKSZUEBB-NSHDSACASA-N	-1	0	300.380	0.104	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1C(=O)CC	ZINC000810783661	670497927	/nfs/dbraw/zinc/49/79/27/670497927.db2.gz	YUVKHQCDRWVQCM-NSHDSACASA-N	-1	0	300.380	0.247	20	30		DCEDRM
COc1ccc(C(=O)/C=C/c2cn(CC(=O)[O-])nn2)cc1O	ZINC000811696845	670542122	/nfs/dbraw/zinc/54/21/22/670542122.db2.gz	AKMDOINCKMIQNN-ONEGZZNKSA-N	-1	0	303.274	0.973	20	30		DCEDRM
CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)CCCC#N)s1	ZINC000813096565	670610563	/nfs/dbraw/zinc/61/05/63/670610563.db2.gz	PMZADQCJLAFUNZ-UHFFFAOYSA-N	-1	0	316.364	0.600	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980076	670667646	/nfs/dbraw/zinc/66/76/46/670667646.db2.gz	PLHLXVLZKWBKQT-JTQLQIEISA-N	-1	0	309.347	0.739	20	30		DCEDRM
COC1(CC(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCC1	ZINC000813983417	670668218	/nfs/dbraw/zinc/66/82/18/670668218.db2.gz	UJQHTRBMCHWSHP-UHFFFAOYSA-N	-1	0	309.347	0.717	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000813986022	670669185	/nfs/dbraw/zinc/66/91/85/670669185.db2.gz	YLZZGXBUSSKSKN-JTQLQIEISA-N	-1	0	301.368	0.515	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000848608710	670704775	/nfs/dbraw/zinc/70/47/75/670704775.db2.gz	CAVFQDNJUNUOMJ-SDDRHHMPSA-N	-1	0	324.377	0.004	20	30		DCEDRM
CC(=NNS(C)(=O)=O)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814872929	670706575	/nfs/dbraw/zinc/70/65/75/670706575.db2.gz	DXJNTHWOMDHEMG-VIFPVBQESA-N	-1	0	300.336	0.812	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCCC1	ZINC000849219385	670765971	/nfs/dbraw/zinc/76/59/71/670765971.db2.gz	SFQJQTNMKMGPLE-UHFFFAOYSA-N	-1	0	317.363	0.069	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(C)c(F)cc1F	ZINC000849219142	670766022	/nfs/dbraw/zinc/76/60/22/670766022.db2.gz	JTPMVPREOFMZEM-UHFFFAOYSA-N	-1	0	303.286	0.982	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H](OC)c1ccccc1	ZINC000849219577	670766824	/nfs/dbraw/zinc/76/68/24/670766824.db2.gz	QFHWRNHIQPOJNW-CYBMUJFWSA-N	-1	0	311.359	0.724	20	30		DCEDRM
Cn1ncc(C2CC2)c1/C=C\C(=O)c1cnc([O-])n(C)c1=O	ZINC000849247025	670768687	/nfs/dbraw/zinc/76/86/87/670768687.db2.gz	NRNUWDWDFBZMLF-WAYWQWQTSA-N	-1	0	300.318	0.993	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000816033983	670782055	/nfs/dbraw/zinc/78/20/55/670782055.db2.gz	LMRYJTGJSQXZJX-UHFFFAOYSA-N	-1	0	305.306	0.846	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)Cc1ccccn1	ZINC000816059424	670784052	/nfs/dbraw/zinc/78/40/52/670784052.db2.gz	DQUSIMAXEMCVKM-UHFFFAOYSA-N	-1	0	316.342	0.917	20	30		DCEDRM
N#Cc1cnn(C([O-])=C(C[C@H]2COCCO2)C(F)(F)F)c1N	ZINC000857039717	670877105	/nfs/dbraw/zinc/87/71/05/670877105.db2.gz	GSSYXBNSFWBGII-IUCAKERBSA-N	-1	0	318.255	0.961	20	30		DCEDRM
COC[C@H](C#N)OC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000857065307	670878744	/nfs/dbraw/zinc/87/87/44/670878744.db2.gz	MARJVIUXPVUYCP-VIFPVBQESA-N	-1	0	319.342	0.918	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000817113338	670895993	/nfs/dbraw/zinc/89/59/93/670895993.db2.gz	BLLLEMNGXISSNO-LLVKDONJSA-N	-1	0	312.391	0.182	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC(C)(C)C	ZINC000850837245	670947083	/nfs/dbraw/zinc/94/70/83/670947083.db2.gz	YSANPDBZVFRWCX-NSHDSACASA-N	-1	0	304.412	0.949	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000817883908	670950448	/nfs/dbraw/zinc/95/04/48/670950448.db2.gz	ZARFMVYCPGWNGZ-LLVKDONJSA-N	-1	0	316.313	0.570	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000850884224	670952417	/nfs/dbraw/zinc/95/24/17/670952417.db2.gz	RNKLQIMDOAALHI-LBPRGKRZSA-N	-1	0	302.396	0.846	20	30		DCEDRM
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)[C@H](C)CC#N	ZINC000850908410	670953808	/nfs/dbraw/zinc/95/38/08/670953808.db2.gz	NGNWECINZPMFKO-SECBINFHSA-N	-1	0	312.395	0.900	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC000850970296	670958567	/nfs/dbraw/zinc/95/85/67/670958567.db2.gz	WTVITDAGWXVBTK-GDGBQDQQSA-N	-1	0	310.306	0.395	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C(=O)OC(C)(C)C)C1CC1	ZINC000851000166	670960174	/nfs/dbraw/zinc/96/01/74/670960174.db2.gz	QJGNASBEDRBBCS-LLVKDONJSA-N	-1	0	315.391	0.824	20	30		DCEDRM
COc1cccc([C@@H](OC)C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000851016432	670961169	/nfs/dbraw/zinc/96/11/69/670961169.db2.gz	UOFIVAHXPSJJJX-GFCCVEGCSA-N	-1	0	312.347	0.742	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21	ZINC000851016616	670961374	/nfs/dbraw/zinc/96/13/74/670961374.db2.gz	YXVVYYUOQFQGGO-HBNTYKKESA-N	-1	0	313.379	0.041	20	30		DCEDRM
CCn1c2ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc2[nH]c1=O	ZINC000851016450	670961476	/nfs/dbraw/zinc/96/14/76/670961476.db2.gz	UYNNBOYODXFCGF-UHFFFAOYSA-N	-1	0	322.346	0.735	20	30		DCEDRM
CCOC1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCC1	ZINC000851040934	670963704	/nfs/dbraw/zinc/96/37/04/670963704.db2.gz	NPUUBYZYBMORJL-UHFFFAOYSA-N	-1	0	309.347	0.717	20	30		DCEDRM
Cn1nnc2cc(S(=O)(=O)[N-]C(=O)CC(C)(C)C#N)ccc21	ZINC000851175524	670972709	/nfs/dbraw/zinc/97/27/09/670972709.db2.gz	SWBRIPWYYLEAJN-UHFFFAOYSA-N	-1	0	321.362	0.713	20	30		DCEDRM
CO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000851192252	670972772	/nfs/dbraw/zinc/97/27/72/670972772.db2.gz	DYHOIHNDSSHSQU-QMMMGPOBSA-N	-1	0	300.311	0.678	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nncn1-c1ccccc1	ZINC000819846904	671142232	/nfs/dbraw/zinc/14/22/32/671142232.db2.gz	ICACJRBECKPOOX-OAHLLOKOSA-N	-1	0	313.317	0.888	20	30		DCEDRM
COc1ccc(C(=O)C(=O)N[C@@H]2CCN(O)C2=O)cc1Cl	ZINC000820149866	671172326	/nfs/dbraw/zinc/17/23/26/671172326.db2.gz	RYHYEOYGVLTLMC-SECBINFHSA-N	-1	0	312.709	0.638	20	30		DCEDRM
COc1cc(C(=O)NC2(C(=O)[O-])CCOCC2)ccc1C#N	ZINC000852960591	671201104	/nfs/dbraw/zinc/20/11/04/671201104.db2.gz	JTZAJHTTXHHMSS-UHFFFAOYSA-N	-1	0	304.302	0.930	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)cn2ccnc12	ZINC000860469224	671211629	/nfs/dbraw/zinc/21/16/29/671211629.db2.gz	PVCRIURUIUKHIG-GFCCVEGCSA-N	-1	0	300.318	0.728	20	30		DCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC	ZINC000860664845	671228343	/nfs/dbraw/zinc/22/83/43/671228343.db2.gz	FFQLIGGKKKZZNK-UWVGGRQHSA-N	-1	0	318.395	0.960	20	30		DCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000860892676	671248445	/nfs/dbraw/zinc/24/84/45/671248445.db2.gz	WKKCQKIDWCSPDE-SNVBAGLBSA-N	-1	0	306.384	0.424	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cncc(Br)c1	ZINC000821584099	671284822	/nfs/dbraw/zinc/28/48/22/671284822.db2.gz	RJKDQPRPRCZKHP-UHFFFAOYSA-N	-1	0	318.152	0.817	20	30		DCEDRM
N#CCNC(=O)COC(=O)C[C@@H](NC(=O)[O-])c1ccccc1	ZINC000831102267	671653347	/nfs/dbraw/zinc/65/33/47/671653347.db2.gz	DUHNBUQZXCGBHL-LLVKDONJSA-N	-1	0	305.290	0.568	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCOc1ccccc1	ZINC000835186882	671790371	/nfs/dbraw/zinc/79/03/71/671790371.db2.gz	KTRAWBHQYTZNJQ-LBPRGKRZSA-N	-1	0	311.359	0.550	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000835318149	671793731	/nfs/dbraw/zinc/79/37/31/671793731.db2.gz	SGSUEWPDVXKDJA-UHFFFAOYSA-N	-1	0	306.347	0.650	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)COCCOc1ccccc1	ZINC000835409930	671795442	/nfs/dbraw/zinc/79/54/42/671795442.db2.gz	AMCOHCRGXZXPQR-UHFFFAOYSA-N	-1	0	312.347	0.442	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)C[C@H]1COc2ccccc2O1	ZINC000835409213	671795495	/nfs/dbraw/zinc/79/54/95/671795495.db2.gz	FRIMVEAJCDLUQH-JTQLQIEISA-N	-1	0	310.331	0.576	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCOC[C@H]2OC)CC1	ZINC000835449613	671796833	/nfs/dbraw/zinc/79/68/33/671796833.db2.gz	QAIYZQFABNOTMA-NWDGAFQWSA-N	-1	0	317.407	0.983	20	30		DCEDRM
C#C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)[C@H]1CCCO1	ZINC000867124274	671797143	/nfs/dbraw/zinc/79/71/43/671797143.db2.gz	KETGNEPIROMELA-WDEREUQCSA-N	-1	0	306.409	0.263	20	30		DCEDRM
C=CCO[N-]C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O	ZINC000837045180	671843393	/nfs/dbraw/zinc/84/33/93/671843393.db2.gz	ZRQNCIKTEVJLBA-MRXNPFEDSA-N	-1	0	315.329	0.614	20	30		DCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cn(C)c(Cl)n1	ZINC000837291934	671854745	/nfs/dbraw/zinc/85/47/45/671854745.db2.gz	MNRBCIDRXXEXSF-SSDOTTSWSA-N	-1	0	307.759	0.771	20	30		DCEDRM
C=C[C@H](O)C(=O)OCC(=O)C1([N-]C(=O)C(F)(F)F)CCCC1	ZINC000837748104	671875726	/nfs/dbraw/zinc/87/57/26/671875726.db2.gz	YJGYQXDZEFYCDX-QMMMGPOBSA-N	-1	0	323.267	0.637	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)CC(CC)CC)nn1	ZINC000842715345	672030577	/nfs/dbraw/zinc/03/05/77/672030577.db2.gz	TVGPQSRZTOKJLB-UHFFFAOYSA-N	-1	0	300.384	0.960	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCc2ncncc2C1	ZINC000842750504	672033738	/nfs/dbraw/zinc/03/37/38/672033738.db2.gz	RFGHCVXOVAAQRV-SNVBAGLBSA-N	-1	0	308.363	0.331	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000843256506	672075064	/nfs/dbraw/zinc/07/50/64/672075064.db2.gz	GMRWTNISHMKLJT-QWRGUYRKSA-N	-1	0	312.391	0.038	20	30		DCEDRM
CCn1cncc1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844818458	672204594	/nfs/dbraw/zinc/20/45/94/672204594.db2.gz	RIVGFDFNCNEXGE-UHFFFAOYSA-N	-1	0	311.363	0.392	20	30		DCEDRM
C[C@H]1CCCN(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)C1	ZINC000844821167	672205146	/nfs/dbraw/zinc/20/51/46/672205146.db2.gz	LUXNODLUKRFSRW-LBPRGKRZSA-N	-1	0	314.407	0.763	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1	ZINC000844820526	672205164	/nfs/dbraw/zinc/20/51/64/672205164.db2.gz	ZYZINRZSFPGYLT-LBPRGKRZSA-N	-1	0	301.364	0.153	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1	ZINC000846150644	672297435	/nfs/dbraw/zinc/29/74/35/672297435.db2.gz	LFKMCKJAIMULOW-UHFFFAOYSA-N	-1	0	319.361	0.880	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1	ZINC000846147901	672297532	/nfs/dbraw/zinc/29/75/32/672297532.db2.gz	XJYPULIWKSFQCU-CYBMUJFWSA-N	-1	0	319.317	0.474	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2	ZINC000846152258	672297902	/nfs/dbraw/zinc/29/79/02/672297902.db2.gz	RBTIYQKEFJPNKW-IUCAKERBSA-N	-1	0	319.317	0.967	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCCC(N)=O)cc1	ZINC000846154855	672297937	/nfs/dbraw/zinc/29/79/37/672297937.db2.gz	QICPGLMNXKHEEC-SNVBAGLBSA-N	-1	0	321.333	0.502	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1	ZINC000846157304	672298178	/nfs/dbraw/zinc/29/81/78/672298178.db2.gz	UFMGVZVYOYZVNK-NOZJJQNGSA-N	-1	0	319.317	0.472	20	30		DCEDRM
N#Cc1cccc2c1CN(C(=O)C(=O)NCCCCC(=O)[O-])C2	ZINC000846327239	672306637	/nfs/dbraw/zinc/30/66/37/672306637.db2.gz	OOBWUYXMYIHGCW-UHFFFAOYSA-N	-1	0	315.329	0.772	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)CCc1c(C)nn(CCC#N)c1C	ZINC000846497706	672319601	/nfs/dbraw/zinc/31/96/01/672319601.db2.gz	XVZJZICQXMMLQL-UHFFFAOYSA-N	-1	0	321.381	0.530	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21	ZINC000846539937	672326251	/nfs/dbraw/zinc/32/62/51/672326251.db2.gz	JKVVIHNLLWCSBP-UHFFFAOYSA-N	-1	0	323.374	0.691	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1	ZINC000846536990	672326260	/nfs/dbraw/zinc/32/62/60/672326260.db2.gz	DDWMCOSRQRBGKE-CYBMUJFWSA-N	-1	0	302.334	0.731	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)CSc1nnnn1CC(F)(F)F	ZINC000846545048	672326886	/nfs/dbraw/zinc/32/68/86/672326886.db2.gz	LSNLOYHVWJYSGA-LURJTMIESA-N	-1	0	311.289	0.950	20	30		DCEDRM
CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771081195	685336997	/nfs/dbraw/zinc/33/69/97/685336997.db2.gz	UWMLXCWUTLERLC-UHFFFAOYSA-N	-1	0	316.379	0.716	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000850930017	685370611	/nfs/dbraw/zinc/37/06/11/685370611.db2.gz	PQPXPFLZEZAOMS-UHFFFAOYSA-N	-1	0	313.379	0.693	20	30		DCEDRM
CC[C@H](C)C[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000844785976	685368728	/nfs/dbraw/zinc/36/87/28/685368728.db2.gz	FDBSTZJDTNTTMC-AXFHLTTASA-N	-1	0	305.400	0.802	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cc1	ZINC001015482711	692313172	/nfs/dbraw/zinc/31/31/72/692313172.db2.gz	POBOGAQNHLNCIW-CYBMUJFWSA-N	-1	0	311.345	0.496	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001076300493	695012081	/nfs/dbraw/zinc/01/20/81/695012081.db2.gz	LSWRHXDOSDUUEH-BJOHPYRUSA-N	-1	0	324.381	0.375	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001570946248	1162652599	/nfs/dbraw/zinc/65/25/99/1162652599.db2.gz	BBWNOIORIZZWSY-ZDEQEGDKSA-N	-1	0	319.409	0.907	20	30		DCEDRM
C=CCCC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001744778966	1157377092	/nfs/dbraw/zinc/37/70/92/1157377092.db2.gz	HQKUKKVOXCNNTC-NSHDSACASA-N	-1	0	306.366	0.968	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@H]2CCCN2CC#N)cc1=O	ZINC001567371210	1160333066	/nfs/dbraw/zinc/33/30/66/1160333066.db2.gz	HDNQOCSXKDNLSJ-CQSZACIVSA-N	-1	0	319.409	0.479	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NCC#N	ZINC001568470289	1160653428	/nfs/dbraw/zinc/65/34/28/1160653428.db2.gz	LEWRRHAHGHVKCH-SECBINFHSA-N	-1	0	322.331	0.697	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)COCc1nc(CC)no1)C(=O)[O-]	ZINC001573307548	1163411753	/nfs/dbraw/zinc/41/17/53/1163411753.db2.gz	KKKUBVOQUPTXBX-QMMMGPOBSA-N	-1	0	317.729	0.861	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)CCC(=O)[O-])C(=O)OCC	ZINC001573307527	1163412638	/nfs/dbraw/zinc/41/26/38/1163412638.db2.gz	KHJKNFOPFISLSB-QMMMGPOBSA-N	-1	0	313.759	0.455	20	30		DCEDRM
CC(C)C[N@H+](CC(=O)[O-])Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001573511214	1163455231	/nfs/dbraw/zinc/45/52/31/1163455231.db2.gz	PSFFMOURJSEDPL-UHFFFAOYSA-N	-1	0	303.322	0.849	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)Nc1cc(CC#N)ccn1)C(=O)[O-]	ZINC001573551682	1163491930	/nfs/dbraw/zinc/49/19/30/1163491930.db2.gz	BJXIDCPZFMARGR-IUCAKERBSA-N	-1	0	319.321	0.247	20	30		DCEDRM
CCn1cc(C#N)c(NC(=O)N[C@]2(C)CCOC2=O)c1C(=O)[O-]	ZINC001573844414	1163565498	/nfs/dbraw/zinc/56/54/98/1163565498.db2.gz	HKEPONQDECKYIK-CQSZACIVSA-N	-1	0	320.305	0.905	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2nccc(C)c2C(=O)[O-])c1=O	ZINC001573844371	1163565616	/nfs/dbraw/zinc/56/56/16/1163565616.db2.gz	FQSVFNDXNVQOPT-UHFFFAOYSA-N	-1	0	314.301	0.352	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)NC[C@@H](C)CC(=O)[O-])CC1	ZINC001573916033	1163585175	/nfs/dbraw/zinc/58/51/75/1163585175.db2.gz	MMVPSOAIKOKZFB-JTQLQIEISA-N	-1	0	311.338	0.586	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO	ZINC001574149014	1163649061	/nfs/dbraw/zinc/64/90/61/1163649061.db2.gz	GZZRKOIKQJROPO-WCQYABFASA-N	-1	0	303.318	0.567	20	30		DCEDRM
N#Cc1ccccc1N1CCN(C(=O)[C@H](O)CC(=O)[O-])CC1	ZINC001574248043	1163673509	/nfs/dbraw/zinc/67/35/09/1163673509.db2.gz	AHZJTTVQNBCEQW-CYBMUJFWSA-N	-1	0	303.318	0.042	20	30		DCEDRM
N#Cc1cnn(-c2ccccc2NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1N	ZINC001574249238	1163674459	/nfs/dbraw/zinc/67/44/59/1163674459.db2.gz	UESVPSNXYOHDLK-NXEZZACHSA-N	-1	0	311.301	0.985	20	30		DCEDRM
N#Cc1cccc(OC2CCN(C(=O)[C@@H](O)CC(=O)[O-])CC2)c1	ZINC001574250197	1163674951	/nfs/dbraw/zinc/67/49/51/1163674951.db2.gz	VBJDFFRVNHBAJE-AWEZNQCLSA-N	-1	0	318.329	0.764	20	30		DCEDRM
N#Cc1ccnc(CN2CCC(C(=O)NCC(=O)[O-])CC2)c1	ZINC001574249068	1163674994	/nfs/dbraw/zinc/67/49/94/1163674994.db2.gz	QZBLXFKUPNPMGB-UHFFFAOYSA-N	-1	0	302.334	0.366	20	30		DCEDRM
CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC001574288631	1163684408	/nfs/dbraw/zinc/68/44/08/1163684408.db2.gz	MFPWAAWFCFHFIQ-SECBINFHSA-N	-1	0	315.341	0.273	20	30		DCEDRM
CC[C@H](C[C@@H](C)CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001576704718	1164438500	/nfs/dbraw/zinc/43/85/00/1164438500.db2.gz	HDTVQSUZUYIJTB-RKDXNWHRSA-N	-1	0	302.342	0.737	20	30		DCEDRM
CC[C@@H](C[C@H](C)CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001576704717	1164438925	/nfs/dbraw/zinc/43/89/25/1164438925.db2.gz	HDTVQSUZUYIJTB-IUCAKERBSA-N	-1	0	302.342	0.737	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001577874584	1164821516	/nfs/dbraw/zinc/82/15/16/1164821516.db2.gz	YPGIRKSWTKPALG-QMMMGPOBSA-N	-1	0	315.337	0.898	20	30		DCEDRM
CCNc1cccnc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001578241319	1164961841	/nfs/dbraw/zinc/96/18/41/1164961841.db2.gz	QZJVVSNBGGFWOS-UHFFFAOYSA-N	-1	0	324.308	0.541	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC[C@](F)(C#N)C1	ZINC001580596861	1165649322	/nfs/dbraw/zinc/64/93/22/1165649322.db2.gz	ABOCBVVWOKCCKN-ZDUSSCGKSA-N	-1	0	317.284	0.354	20	30		DCEDRM
Cc1ncsc1CCCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC001581586430	1165847856	/nfs/dbraw/zinc/84/78/56/1165847856.db2.gz	OOEGGTRPUJROHG-UHFFFAOYSA-N	-1	0	315.366	0.915	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cncnc2C2CC2)[n-]c1-c1nn[nH]n1	ZINC001581860460	1165892333	/nfs/dbraw/zinc/89/23/33/1165892333.db2.gz	AXPHRWLBCWPCHI-UHFFFAOYSA-N	-1	0	322.292	0.381	20	30		DCEDRM
N#Cc1ncc(N[C@H]2c3ccccc3C[C@@H]2O)nc1-c1nnn[n-]1	ZINC001581883163	1165901100	/nfs/dbraw/zinc/90/11/00/1165901100.db2.gz	QFXSIMIBZYJNCE-AAEUAGOBSA-N	-1	0	320.316	0.599	20	30		DCEDRM
N#Cc1ncc(N2CCc3ccc(O)cc3C2)nc1-c1nnn[n-]1	ZINC001581882811	1165902335	/nfs/dbraw/zinc/90/23/35/1165902335.db2.gz	IDZKYHNXYFMJBE-UHFFFAOYSA-N	-1	0	320.316	0.797	20	30		DCEDRM
Cc1cccn2c(NC(=O)Cn3cc(C#N)c(=O)[n-]c3=O)cnc12	ZINC001584510871	1166328642	/nfs/dbraw/zinc/32/86/42/1166328642.db2.gz	JMOHWDPITFTMSJ-UHFFFAOYSA-N	-1	0	324.300	0.415	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(CN2CCOCC2)cn1)C(=O)[O-]	ZINC001588415005	1166550915	/nfs/dbraw/zinc/55/09/15/1166550915.db2.gz	ZXXYJIMNOYITJN-AWEZNQCLSA-N	-1	0	317.345	0.120	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(=O)n(-c2ccccc2)n1)C(=O)[O-]	ZINC001588414369	1166551818	/nfs/dbraw/zinc/55/18/18/1166551818.db2.gz	LVAUGESITJHIOP-ZDUSSCGKSA-N	-1	0	311.297	0.439	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1	ZINC001588479660	1166557856	/nfs/dbraw/zinc/55/78/56/1166557856.db2.gz	YIIHLHZYQGSYBO-CYBMUJFWSA-N	-1	0	319.361	0.331	20	30		DCEDRM
C=CCSCCNC(=O)NCc1ccc(-c2nn[nH]n2)cn1	ZINC001588688591	1166582283	/nfs/dbraw/zinc/58/22/83/1166582283.db2.gz	LAMDYILDYXMNHF-UHFFFAOYSA-N	-1	0	319.394	0.980	20	30		DCEDRM
C[C@@H](C(=O)N[C@H](C#N)C1CCCC1)n1cnc(-c2nnn[n-]2)n1	ZINC001588966248	1166624350	/nfs/dbraw/zinc/62/43/50/1166624350.db2.gz	XGNBZCXHDWWZFN-WCBMZHEXSA-N	-1	0	315.341	0.218	20	30		DCEDRM
CC(C)c1nnc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)[nH]1	ZINC001589778982	1166686208	/nfs/dbraw/zinc/68/62/08/1166686208.db2.gz	UJHZERQQMODKHL-UHFFFAOYSA-N	-1	0	311.313	0.382	20	30		DCEDRM
C[C@H](NCC#N)[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001589959447	1166730247	/nfs/dbraw/zinc/73/02/47/1166730247.db2.gz	ZCPSOSPUBAYSHF-VHSXEESVSA-N	-1	0	314.353	0.159	20	30		DCEDRM
C[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H](C)S1	ZINC001590316382	1166861165	/nfs/dbraw/zinc/86/11/65/1166861165.db2.gz	LHKLSFVTYMVPEQ-OCAPTIKFSA-N	-1	0	302.367	0.859	20	30		DCEDRM
CN(C)c1cccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)n1	ZINC001591035171	1167090272	/nfs/dbraw/zinc/09/02/72/1167090272.db2.gz	XKPQDLUSNVIVEW-UHFFFAOYSA-N	-1	0	310.325	0.026	20	30		DCEDRM
COc1c(-c2nnn[n-]2)ccc(=O)n1Cc1ccccc1C#N	ZINC001591475297	1167306351	/nfs/dbraw/zinc/30/63/51/1167306351.db2.gz	VSIHWIPEOISNKI-UHFFFAOYSA-N	-1	0	308.301	0.957	20	30		DCEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)ns1	ZINC001591934246	1167419715	/nfs/dbraw/zinc/41/97/15/1167419715.db2.gz	MDVQDIGHLSCLKK-UHFFFAOYSA-N	-1	0	301.295	0.479	20	30		DCEDRM
N#CCCOCCn1c2c(cc(-c3nnn[n-]3)c1=O)CCC2	ZINC001592678410	1167599301	/nfs/dbraw/zinc/59/93/01/1167599301.db2.gz	VUHBDCBXXHSLMT-UHFFFAOYSA-N	-1	0	300.322	0.447	20	30		DCEDRM
N#Cc1ccc(Cn2cnc(-c3nnn[n-]3)cc2=O)c(Cl)c1	ZINC001592693542	1167602891	/nfs/dbraw/zinc/60/28/91/1167602891.db2.gz	KVIRQTLHXWQKMP-UHFFFAOYSA-N	-1	0	313.708	0.997	20	30		DCEDRM
N#Cc1ncc(N2CC[C@@H]([C@H]3CCOC3)C2)nc1-c1nnn[n-]1	ZINC001592708384	1167607737	/nfs/dbraw/zinc/60/77/37/1167607737.db2.gz	NLXPXDBFDGDPIQ-ZJUUUORDSA-N	-1	0	312.337	0.391	20	30		DCEDRM
N#Cc1ncc(NC[C@@H]2CC3(CCC3)CO2)nc1-c1nnn[n-]1	ZINC001592710466	1167609982	/nfs/dbraw/zinc/60/99/82/1167609982.db2.gz	PBXQWYKVFWLYQZ-VIFPVBQESA-N	-1	0	312.337	0.899	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](C(=O)[O-])C1	ZINC001598794163	1168036759	/nfs/dbraw/zinc/03/67/59/1168036759.db2.gz	AYIGBNCFNBSUSX-KOLCDFICSA-N	-1	0	305.290	0.365	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)c1	ZINC001600073949	1168110842	/nfs/dbraw/zinc/11/08/42/1168110842.db2.gz	DVYZISIAKVFPTM-UHFFFAOYSA-N	-1	0	313.313	0.881	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)ncc1C#N	ZINC001600244183	1168145583	/nfs/dbraw/zinc/14/55/83/1168145583.db2.gz	PJPLDWOHWJBHIK-SECBINFHSA-N	-1	0	302.290	0.133	20	30		DCEDRM
Cc1cc(NC(=O)Cn2cc(C(=O)[O-])nn2)nn1CCC#N	ZINC001600257341	1168151427	/nfs/dbraw/zinc/15/14/27/1168151427.db2.gz	MEANAPSTPWORID-UHFFFAOYSA-N	-1	0	303.282	0.034	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001600510781	1168193708	/nfs/dbraw/zinc/19/37/08/1168193708.db2.gz	LWHZXQANGMZFMP-UHFFFAOYSA-N	-1	0	307.331	0.856	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N(CC#N)CCC(=O)[O-])c1C#N	ZINC001600547523	1168197922	/nfs/dbraw/zinc/19/79/22/1168197922.db2.gz	CDLNFAUETZNORG-UHFFFAOYSA-N	-1	0	307.331	0.856	20	30		DCEDRM
Cc1ccccc1C1=NO[C@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC001600575756	1168202077	/nfs/dbraw/zinc/20/20/77/1168202077.db2.gz	NLIJTWALZNBJNZ-ZDUSSCGKSA-N	-1	0	301.302	0.925	20	30		DCEDRM
Cc1ccnc(NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)c1C#N	ZINC001600600625	1168208510	/nfs/dbraw/zinc/20/85/10/1168208510.db2.gz	NXUWDDMEIDLNDE-GXFFZTMASA-N	-1	0	309.347	0.562	20	30		DCEDRM
Cc1nc(SCCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n[nH]1	ZINC001600799706	1168299831	/nfs/dbraw/zinc/29/98/31/1168299831.db2.gz	SLVVMZNXNWQOIG-UHFFFAOYSA-N	-1	0	323.378	0.812	20	30		DCEDRM
Cn1c(C#N)ccc1-c1nnc(N2CC[C@@](F)(C(=O)[O-])C2)n1C	ZINC001600898336	1168500032	/nfs/dbraw/zinc/50/00/32/1168500032.db2.gz	MIYMUGSOKNZIAW-AWEZNQCLSA-N	-1	0	318.312	0.695	20	30		DCEDRM
Cn1ncc(C#N)c1N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001601019982	1168567550	/nfs/dbraw/zinc/56/75/50/1168567550.db2.gz	WMFDEKISEZSHQV-SNVBAGLBSA-N	-1	0	301.310	0.423	20	30		DCEDRM
N#C[C@@H](c1ccccc1)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC001601049972	1168577531	/nfs/dbraw/zinc/57/75/31/1168577531.db2.gz	SQYHHIXGILXPDR-STQMWFEESA-N	-1	0	308.359	0.825	20	30		DCEDRM
N#CC1(C(=O)NCCC(=O)NCCC(=O)[O-])CCSCC1	ZINC001601050476	1168577612	/nfs/dbraw/zinc/57/76/12/1168577612.db2.gz	QDTXMCZIRSXCFO-UHFFFAOYSA-N	-1	0	313.379	0.121	20	30		DCEDRM
N#C[C@H](c1ccccc1)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC001601049971	1168577625	/nfs/dbraw/zinc/57/76/25/1168577625.db2.gz	SQYHHIXGILXPDR-QWHCGFSZSA-N	-1	0	308.359	0.825	20	30		DCEDRM
N#CC1(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CCCCC1	ZINC001601056589	1168578470	/nfs/dbraw/zinc/57/84/70/1168578470.db2.gz	QBSKESLHGLIXQE-RYUDHWBXSA-N	-1	0	309.366	0.937	20	30		DCEDRM
N#CC[C@@]1(O)CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)C1	ZINC001601063224	1168579595	/nfs/dbraw/zinc/57/95/95/1168579595.db2.gz	SVAFXTLEXZEUMT-LLVKDONJSA-N	-1	0	316.360	0.485	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1	ZINC001601062632	1168579608	/nfs/dbraw/zinc/57/96/08/1168579608.db2.gz	LDGPISLXHRISBS-NSHDSACASA-N	-1	0	300.292	0.017	20	30		DCEDRM
N#CCC1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)CC1	ZINC001601064038	1168580032	/nfs/dbraw/zinc/58/00/32/1168580032.db2.gz	ISMGKCHHVAYUCT-UHFFFAOYSA-N	-1	0	316.317	0.871	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)/C=C\c1ccc2c(c1)NC(=O)CO2	ZINC001601069574	1168580568	/nfs/dbraw/zinc/58/05/68/1168580568.db2.gz	NJLDQOBKTZVAGP-RQOWECAXSA-N	-1	0	315.285	0.467	20	30		DCEDRM
N#CCCN1CCN(S(=O)(=O)CCCCCC(=O)[O-])CC1	ZINC001601068015	1168580578	/nfs/dbraw/zinc/58/05/78/1168580578.db2.gz	ASQOWPOSDGDPPU-UHFFFAOYSA-N	-1	0	317.411	0.492	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccnc(N2CCCCC2)n1	ZINC001601071634	1168580977	/nfs/dbraw/zinc/58/09/77/1168580977.db2.gz	AWKRMKJXRRLVQI-UHFFFAOYSA-N	-1	0	317.349	0.907	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1	ZINC001601070119	1168581106	/nfs/dbraw/zinc/58/11/06/1168581106.db2.gz	UUSRNWUJPGIZDA-SNVBAGLBSA-N	-1	0	319.292	0.615	20	30		DCEDRM
N#CCN(CCC(=O)[O-])Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC001601072657	1168581613	/nfs/dbraw/zinc/58/16/13/1168581613.db2.gz	KUQFKOGUPQDEID-UHFFFAOYSA-N	-1	0	306.278	0.494	20	30		DCEDRM
N#CCNCc1nc2c(s1)CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C2	ZINC001601073618	1168581649	/nfs/dbraw/zinc/58/16/49/1168581649.db2.gz	FFCUJILXHQDEDO-RKDXNWHRSA-N	-1	0	320.374	0.362	20	30		DCEDRM
N#CCN1CCC(N2C(=O)[C@H]3C[C@@H](C(=O)[O-])CCN3C2=O)CC1	ZINC001601073331	1168581733	/nfs/dbraw/zinc/58/17/33/1168581733.db2.gz	PTHIXQKWMXXBGJ-CMPLNLGQSA-N	-1	0	320.349	0.102	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)CC[C@H]1CC1(Cl)Cl	ZINC001601072774	1168581824	/nfs/dbraw/zinc/58/18/24/1168581824.db2.gz	WUBLKTZMAGXXEE-ZETCQYMHSA-N	-1	0	315.178	0.810	20	30		DCEDRM
N#CCNC(=O)CN1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1	ZINC001601074895	1168582295	/nfs/dbraw/zinc/58/22/95/1168582295.db2.gz	VMTPSVBDRUKNKV-SECBINFHSA-N	-1	0	308.363	0.660	20	30		DCEDRM
N#CCNCCN(CCc1ccccc1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001601074835	1168582588	/nfs/dbraw/zinc/58/25/88/1168582588.db2.gz	SKDLAOYRZJDFAI-CABCVRRESA-N	-1	0	315.373	0.892	20	30		DCEDRM
N#Cc1c(CN2CCOC[C@@H]2CC(N)=O)cccc1C(=O)[O-]	ZINC001601081846	1168583071	/nfs/dbraw/zinc/58/30/71/1168583071.db2.gz	NGWPZUAWQGNFGD-NSHDSACASA-N	-1	0	303.318	0.333	20	30		DCEDRM
N#CCc1ccccc1CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001601078707	1168583078	/nfs/dbraw/zinc/58/30/78/1168583078.db2.gz	WNIDRHMWCKCMHW-UKRRQHHQSA-N	-1	0	302.330	0.901	20	30		DCEDRM
N#C[C@H]1C[C@H]1C(=O)N[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O	ZINC001601079477	1168583113	/nfs/dbraw/zinc/58/31/13/1168583113.db2.gz	DJZRXYRQGUBECR-WZRBSPASSA-N	-1	0	313.313	0.914	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001601078697	1168583152	/nfs/dbraw/zinc/58/31/52/1168583152.db2.gz	WIMPIFWERUUSOJ-INIZCTEOSA-N	-1	0	316.357	0.979	20	30		DCEDRM
N#C[C@]12CN(C(=O)CCCCC(=O)[O-])C[C@H]1CS(=O)(=O)C2	ZINC001601080090	1168583155	/nfs/dbraw/zinc/58/31/55/1168583155.db2.gz	VXRDLELEXUOSJT-GXFFZTMASA-N	-1	0	314.363	0.028	20	30		DCEDRM
N#Cc1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cs1	ZINC001601084912	1168583410	/nfs/dbraw/zinc/58/34/10/1168583410.db2.gz	OZYVTHNRWKZMKP-UHFFFAOYSA-N	-1	0	303.303	0.607	20	30		DCEDRM
N#Cc1cc(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)c[nH]1	ZINC001601087629	1168583516	/nfs/dbraw/zinc/58/35/16/1168583516.db2.gz	MUXTUVNAOXKJKN-NSHDSACASA-N	-1	0	305.290	0.509	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])c(N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1F	ZINC001601091025	1168583890	/nfs/dbraw/zinc/58/38/90/1168583890.db2.gz	HQICOTSVKGAORE-BDAKNGLRSA-N	-1	0	309.253	0.877	20	30		DCEDRM
N#Cc1cc(NC(=O)CC(=O)[O-])ccc1N1CCC(O)CC1	ZINC001601090232	1168583923	/nfs/dbraw/zinc/58/39/23/1168583923.db2.gz	PURXRDRNLXRMTG-UHFFFAOYSA-N	-1	0	303.318	0.933	20	30		DCEDRM
N#Cc1ccc(CC(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)cn1	ZINC001601098184	1168584846	/nfs/dbraw/zinc/58/48/46/1168584846.db2.gz	JVIZOQJTCAGWEG-WCQYABFASA-N	-1	0	303.318	0.349	20	30		DCEDRM
N#Cc1ccc(CN(CCN2CCOCC2)CC(=O)[O-])s1	ZINC001601097407	1168584937	/nfs/dbraw/zinc/58/49/37/1168584937.db2.gz	DUNDFDQKTASTDE-UHFFFAOYSA-N	-1	0	309.391	0.839	20	30		DCEDRM
N#Cc1ccc(CN2CCC[C@H](O)[C@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC001601100924	1168585352	/nfs/dbraw/zinc/58/53/52/1168585352.db2.gz	RDWGGEBZEFSZNX-STQMWFEESA-N	-1	0	305.290	0.876	20	30		DCEDRM
N#Cc1ccc(CSCC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC001601103716	1168585493	/nfs/dbraw/zinc/58/54/93/1168585493.db2.gz	YLSUGHZTUGCDCE-OLZOCXBDSA-N	-1	0	320.370	0.838	20	30		DCEDRM
N#Cc1ccc(Cn2nc(C(=O)[O-])ccc2=O)c([N+](=O)[O-])c1	ZINC001601103310	1168585751	/nfs/dbraw/zinc/58/57/51/1168585751.db2.gz	CQFFOGJPSLUBNS-UHFFFAOYSA-N	-1	0	300.230	0.770	20	30		DCEDRM
N#Cc1ccc(N(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C2CC2)nc1	ZINC001601106307	1168586355	/nfs/dbraw/zinc/58/63/55/1168586355.db2.gz	QTYWXYCYWDSAJY-CHWSQXEVSA-N	-1	0	314.345	0.759	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCSC[C@H]2CC(=O)[O-])nc1	ZINC001601108480	1168586416	/nfs/dbraw/zinc/58/64/16/1168586416.db2.gz	ONBBCTIWUOIFOX-LLVKDONJSA-N	-1	0	320.374	0.784	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H](CC2CC2)C(=O)[O-])nc1	ZINC001601111414	1168586766	/nfs/dbraw/zinc/58/67/66/1168586766.db2.gz	BNJDUUMBBYQBFY-LLVKDONJSA-N	-1	0	309.347	0.732	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)nc1	ZINC001601111668	1168586876	/nfs/dbraw/zinc/58/68/76/1168586876.db2.gz	DJMPFRNDLWDXKK-RISCZKNCSA-N	-1	0	321.358	0.971	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])n1	ZINC001601122215	1168588830	/nfs/dbraw/zinc/58/88/30/1168588830.db2.gz	HMAOZAGOIRYFNX-SNVBAGLBSA-N	-1	0	302.290	0.357	20	30		DCEDRM
N#Cc1ccccc1CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001601126370	1168590041	/nfs/dbraw/zinc/59/00/41/1168590041.db2.gz	WCDKGJFPXCTACR-CABCVRRESA-N	-1	0	313.357	0.923	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CC[C@@](F)(C(=O)[O-])C1)cc2=O	ZINC001601131360	1168591014	/nfs/dbraw/zinc/59/10/14/1168591014.db2.gz	XPGKAOJTSBPMMC-ZDUSSCGKSA-N	-1	0	305.269	0.305	20	30		DCEDRM
N#Cc1cncc(N(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C2CC2)n1	ZINC001601130209	1168591089	/nfs/dbraw/zinc/59/10/89/1168591089.db2.gz	BGYGBBNHFZXRMX-NEPJUHHUSA-N	-1	0	315.333	0.154	20	30		DCEDRM
N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1	ZINC001601130410	1168591721	/nfs/dbraw/zinc/59/17/21/1168591721.db2.gz	OMVAVLQKDWQFQK-FSZOTQKASA-N	-1	0	315.333	0.376	20	30		DCEDRM
N#Cc1cncc(NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1	ZINC001601130460	1168591913	/nfs/dbraw/zinc/59/19/13/1168591913.db2.gz	HPDQQTXQATUXJF-ZJUUUORDSA-N	-1	0	301.306	0.130	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCN2C(=O)OCC[C@@H]2C1	ZINC001601133534	1168592309	/nfs/dbraw/zinc/59/23/09/1168592309.db2.gz	QHRHOGNIAZZFJH-SECBINFHSA-N	-1	0	302.290	0.682	20	30		DCEDRM
N#Cc1ncccc1OS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001601135309	1168592330	/nfs/dbraw/zinc/59/23/30/1168592330.db2.gz	PAATXLQHPXPFBZ-UHFFFAOYSA-N	-1	0	305.271	0.814	20	30		DCEDRM
N#Cc1nccc(N2CCCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1	ZINC001601134653	1168592589	/nfs/dbraw/zinc/59/25/89/1168592589.db2.gz	WFTGFUFZXPBZGM-GHMZBOCLSA-N	-1	0	315.333	0.108	20	30		DCEDRM
N#Cc1nccnc1NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001601135264	1168592845	/nfs/dbraw/zinc/59/28/45/1168592845.db2.gz	MPMOISFUHNOHPA-VHSXEESVSA-N	-1	0	315.333	0.520	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)Nc2ccc(C(=O)[O-])cc2F)n1	ZINC001601136618	1168594333	/nfs/dbraw/zinc/59/43/33/1168594333.db2.gz	WWXPWWKJAKEJKR-UHFFFAOYSA-N	-1	0	318.268	0.809	20	30		DCEDRM
O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1cccc(C#CCO)c1	ZINC001601757949	1168855684	/nfs/dbraw/zinc/85/56/84/1168855684.db2.gz	KIWXNDKYBGMVCN-KGLIPLIRSA-N	-1	0	303.314	0.081	20	30		DCEDRM
O=C([O-])CNC(=O)[C@H]1CCCN1CC#Cc1ccc(F)cc1	ZINC001602067945	1168984966	/nfs/dbraw/zinc/98/49/66/1168984966.db2.gz	YBBBRCJSMZFUGP-CQSZACIVSA-N	-1	0	304.321	0.842	20	30		DCEDRM
O=C([O-])Cc1nc(NC(=O)C(=O)C=Cc2ccc(F)cc2)n[nH]1	ZINC001602155022	1169005178	/nfs/dbraw/zinc/00/51/78/1169005178.db2.gz	YVOCQGUIPWPNNX-UTCJRWHESA-N	-1	0	318.264	0.792	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC001602683689	1169158288	/nfs/dbraw/zinc/15/82/88/1169158288.db2.gz	SSXIGNIZDWNISG-SNVBAGLBSA-N	-1	0	317.750	0.701	20	30		DCEDRM
C#CC[C@@H](NC(=O)C12CC(C1)CN2C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001602685096	1169158355	/nfs/dbraw/zinc/15/83/55/1169158355.db2.gz	MCWQWURPSDZNII-NOEPWBJOSA-N	-1	0	322.361	0.979	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1cccc(S(=O)(=O)CC)c1)C(=O)[O-]	ZINC001602686922	1169158390	/nfs/dbraw/zinc/15/83/90/1169158390.db2.gz	BCZLLUABASOEGW-ZDUSSCGKSA-N	-1	0	323.370	0.615	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)C(=O)[O-]	ZINC001602691981	1169161715	/nfs/dbraw/zinc/16/17/15/1169161715.db2.gz	GCJWNMCUBNVQIU-WHOHXGKFSA-N	-1	0	322.361	0.692	20	30		DCEDRM
C#CCC1(O)CCN(CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)CC1	ZINC001602699317	1169164342	/nfs/dbraw/zinc/16/43/42/1169164342.db2.gz	AVWUGQJPVBDHGA-GXTWGEPZSA-N	-1	0	310.394	0.452	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)Nc1cccc(-c2nn[nH]n2)c1	ZINC001602703265	1169165769	/nfs/dbraw/zinc/16/57/69/1169165769.db2.gz	MKASGFHEANGCEN-LBPRGKRZSA-N	-1	0	300.322	0.763	20	30		DCEDRM
C#CCCN(CCOC)C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001602710717	1169166026	/nfs/dbraw/zinc/16/60/26/1169166026.db2.gz	KOFZQNZVIOLUPY-UHFFFAOYSA-N	-1	0	306.318	0.045	20	30		DCEDRM
C#CCCCCC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001602703070	1169166513	/nfs/dbraw/zinc/16/65/13/1169166513.db2.gz	PHJOXNJPLFRQNY-UHFFFAOYSA-N	-1	0	301.364	0.328	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)CC1	ZINC001602719815	1169170829	/nfs/dbraw/zinc/17/08/29/1169170829.db2.gz	FJYIHVJQIAGHJK-UHFFFAOYSA-N	-1	0	314.407	0.212	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001602725745	1169172643	/nfs/dbraw/zinc/17/26/43/1169172643.db2.gz	GSGFOKGTDNAKOF-CMPLNLGQSA-N	-1	0	318.333	0.226	20	30		DCEDRM
C#CCNC(=O)CN(CC(=O)[O-])Cc1cc(OC)cc(OC)c1	ZINC001602724502	1169173516	/nfs/dbraw/zinc/17/35/16/1169173516.db2.gz	ADSTYAJXSFMCML-UHFFFAOYSA-N	-1	0	320.345	0.340	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1cc(C)sc1C(=O)[O-]	ZINC001602728390	1169174412	/nfs/dbraw/zinc/17/44/12/1169174412.db2.gz	UFNOPAWKSJZFJO-UHFFFAOYSA-N	-1	0	310.331	0.459	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)OC)CC[C@@H]2C(=O)[O-])nc1	ZINC001602740133	1169176071	/nfs/dbraw/zinc/17/60/71/1169176071.db2.gz	XUVPLRXECDKUMS-DGCLKSJQSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CCCN1C(=O)CN(C)C1=O)C(=O)[O-]	ZINC001602749503	1169177659	/nfs/dbraw/zinc/17/76/59/1169177659.db2.gz	GDNRCFDJQWZOTM-SNVBAGLBSA-N	-1	0	311.338	0.196	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cnc(OC)s1)C(=O)[O-]	ZINC001602757916	1169178894	/nfs/dbraw/zinc/17/88/94/1169178894.db2.gz	WSRFOEMHXFFKQC-ZETCQYMHSA-N	-1	0	306.365	0.849	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O	ZINC001602782521	1169182593	/nfs/dbraw/zinc/18/25/93/1169182593.db2.gz	NLRSJTPPRSDAIZ-MNOVXSKESA-N	-1	0	318.395	0.242	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001602813302	1169186414	/nfs/dbraw/zinc/18/64/14/1169186414.db2.gz	VEIIWEBPACMAFU-XHDPSFHLSA-N	-1	0	320.349	0.197	20	30		DCEDRM
C=CC1CCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CC1	ZINC001602807990	1169186969	/nfs/dbraw/zinc/18/69/69/1169186969.db2.gz	UUDOFYPFDQCMQF-SECBINFHSA-N	-1	0	302.342	0.444	20	30		DCEDRM
C=CCN1CC[C@H](N2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])C1=O	ZINC001602897661	1169200320	/nfs/dbraw/zinc/20/03/20/1169200320.db2.gz	BWPDFZCDHCGVIR-SRVKXCTJSA-N	-1	0	310.350	0.112	20	30		DCEDRM
CC(N=Nc1ccc(C(N)=O)nn1)c1ccccc1-c1nn[nH]n1	ZINC001602908412	1169202282	/nfs/dbraw/zinc/20/22/82/1169202282.db2.gz	WJBXHGWNYIOXAK-UHFFFAOYSA-N	-1	0	323.320	0.592	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCc1c(C)nc[nH]c1=O)C(=O)[O-]	ZINC001602910125	1169202855	/nfs/dbraw/zinc/20/28/55/1169202855.db2.gz	OKKXQFKXZIVRCG-LLVKDONJSA-N	-1	0	309.322	0.195	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc21)C(=O)[O-]	ZINC001602910484	1169203135	/nfs/dbraw/zinc/20/31/35/1169203135.db2.gz	ZDMYYTPATYDIMK-QWHCGFSZSA-N	-1	0	318.329	0.633	20	30		DCEDRM
CC(=O)C(C)(C)CCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001602912787	1169203222	/nfs/dbraw/zinc/20/32/22/1169203222.db2.gz	XGSUCWXNNRHAMP-UHFFFAOYSA-N	-1	0	316.325	0.795	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCc1nc(C(C)C)no1)C(=O)[O-]	ZINC001602910306	1169203395	/nfs/dbraw/zinc/20/33/95/1169203395.db2.gz	UOTLOTKIJHNQKN-SNVBAGLBSA-N	-1	0	311.338	0.898	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(C(=O)OC)n1)C(=O)[O-]	ZINC001602913567	1169204250	/nfs/dbraw/zinc/20/42/50/1169204250.db2.gz	WBKVHMHRUVVFSV-LLVKDONJSA-N	-1	0	308.290	0.254	20	30		DCEDRM
C=CCOCCCC(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001602915273	1169204663	/nfs/dbraw/zinc/20/46/63/1169204663.db2.gz	ILIITGPHZGDWLC-QWHCGFSZSA-N	-1	0	324.377	0.359	20	30		DCEDRM
C=CCOC[C@@H](NCc1ncc(C2OCCO2)s1)C(=O)[O-]	ZINC001602914771	1169204907	/nfs/dbraw/zinc/20/49/07/1169204907.db2.gz	COKLCGVHNXEHJX-SECBINFHSA-N	-1	0	314.363	0.934	20	30		DCEDRM
C=CCOCCn1nnnc1N1CCC(CCC(=O)[O-])CC1	ZINC001602920486	1169205348	/nfs/dbraw/zinc/20/53/48/1169205348.db2.gz	FSDQOXPNDMNEAH-UHFFFAOYSA-N	-1	0	309.370	0.957	20	30		DCEDRM
C=CCOCCCC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001602915813	1169206772	/nfs/dbraw/zinc/20/67/72/1169206772.db2.gz	ZJGGTUTZAMVSJC-VXGBXAGGSA-N	-1	0	313.350	0.834	20	30		DCEDRM
C=CCOCc1nnc(N2CC[C@](C)(C(=O)[O-])C2)n1CCOC	ZINC001602920703	1169206777	/nfs/dbraw/zinc/20/67/77/1169206777.db2.gz	SFLLJMBDMKMILU-HNNXBMFYSA-N	-1	0	324.381	0.928	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001602925130	1169208734	/nfs/dbraw/zinc/20/87/34/1169208734.db2.gz	ROARXSYXTMDGHE-NSHDSACASA-N	-1	0	316.317	0.795	20	30		DCEDRM
C=CCn1c(-c2ncn(C)n2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001602931330	1169211151	/nfs/dbraw/zinc/21/11/51/1169211151.db2.gz	QOVSJDDBGSJEEA-NXEZZACHSA-N	-1	0	317.353	0.417	20	30		DCEDRM
C=CCn1cc(CNC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)nn1	ZINC001602938251	1169212047	/nfs/dbraw/zinc/21/20/47/1169212047.db2.gz	ZSBYHQATKQYHEZ-BFVZDQMLSA-N	-1	0	305.338	0.517	20	30		DCEDRM
C=C[C@H](CO)NC(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC001602944755	1169215999	/nfs/dbraw/zinc/21/59/99/1169215999.db2.gz	GZMAORFRWYDPNA-MRVPVSSYSA-N	-1	0	308.290	0.840	20	30		DCEDRM
C[C@@H](C(=O)N1CCSC[C@@H]1CC(=O)[O-])n1cnc(C#N)n1	ZINC001603148042	1169254229	/nfs/dbraw/zinc/25/42/29/1169254229.db2.gz	KITCUATVBLCECS-IUCAKERBSA-N	-1	0	309.351	0.129	20	30		DCEDRM
C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1)n1cnc(C#N)n1	ZINC001603154099	1169260022	/nfs/dbraw/zinc/26/00/22/1169260022.db2.gz	XSGRJPAFLXPGJF-QPUJVOFHSA-N	-1	0	315.289	0.358	20	30		DCEDRM
CC(C)(CS(=O)(=O)Oc1ccc(F)nc1C#N)C(=O)[O-]	ZINC001603661277	1169347184	/nfs/dbraw/zinc/34/71/84/1169347184.db2.gz	FGDAPGKYGLYPCI-UHFFFAOYSA-N	-1	0	302.283	0.912	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1c[nH]nc1-c1nnn[n-]1	ZINC001603709991	1169367601	/nfs/dbraw/zinc/36/76/01/1169367601.db2.gz	KZSCKQJOOFSCIX-QMMMGPOBSA-N	-1	0	324.304	0.867	20	30		DCEDRM
CC1(C)[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)[C@@H]2CCO[C@@H]21	ZINC001603758689	1169381445	/nfs/dbraw/zinc/38/14/45/1169381445.db2.gz	ZCNJFAJTBWLDCT-BPTDKIDVSA-N	-1	0	312.337	0.754	20	30		DCEDRM
CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001603856385	1169415149	/nfs/dbraw/zinc/41/51/49/1169415149.db2.gz	GZUWBADXGGDBAB-TUAOUCFPSA-N	-1	0	319.365	0.851	20	30		DCEDRM
C[C@](CCF)(NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC001604141371	1169503531	/nfs/dbraw/zinc/50/35/31/1169503531.db2.gz	CBECWRJBIGZIAN-LLVKDONJSA-N	-1	0	301.299	0.434	20	30		DCEDRM
C[C@@H](CNC(=O)C#CC1CC1)CNc1ncc(C(=O)[O-])cn1	ZINC001604168153	1169512263	/nfs/dbraw/zinc/51/22/63/1169512263.db2.gz	GCHNBUOWNQOSPU-JTQLQIEISA-N	-1	0	302.334	0.752	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001604274432	1169543520	/nfs/dbraw/zinc/54/35/20/1169543520.db2.gz	NRYNOJVHLWHXDE-IUCAKERBSA-N	-1	0	303.330	0.027	20	30		DCEDRM
C[C@@]1(CCC(=O)[O-])NC(=O)N(CN(CCC#N)CC2CC2)C1=O	ZINC001604571872	1169620864	/nfs/dbraw/zinc/62/08/64/1169620864.db2.gz	OFKGVBCPXBQSMC-HNNXBMFYSA-N	-1	0	322.365	0.745	20	30		DCEDRM
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CO1	ZINC001604677385	1169651911	/nfs/dbraw/zinc/65/19/11/1169651911.db2.gz	RAQHETYEJGUXPB-WPRPVWTQSA-N	-1	0	310.331	0.712	20	30		DCEDRM
C[C@H]1CN(C(=O)c2cncc(C(=O)[O-])c2)C[C@H](C)N1CC#N	ZINC001604782450	1169678803	/nfs/dbraw/zinc/67/88/03/1169678803.db2.gz	CLBRSRZYOSMXCE-QWRGUYRKSA-N	-1	0	302.334	0.838	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])C[C@@H](C)N1CC#N	ZINC001604804187	1169690870	/nfs/dbraw/zinc/69/08/70/1169690870.db2.gz	YXQRUHMHSYRIDQ-GHMZBOCLSA-N	-1	0	303.384	0.099	20	30		DCEDRM
C[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)C[C@H](C)S1(=O)=O	ZINC001604809419	1169692890	/nfs/dbraw/zinc/69/28/90/1169692890.db2.gz	ABLXVBFRESUTDT-DTORHVGOSA-N	-1	0	309.347	0.663	20	30		DCEDRM
CC[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)N1CCCC1=O	ZINC001604865234	1169719712	/nfs/dbraw/zinc/71/97/12/1169719712.db2.gz	WLMHLMCUXCCNEM-LLVKDONJSA-N	-1	0	307.350	0.604	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NC1(C(=O)[O-])CCSCC1	ZINC001605438861	1169921905	/nfs/dbraw/zinc/92/19/05/1169921905.db2.gz	SFABKDLJYMKBOB-UHFFFAOYSA-N	-1	0	321.424	0.407	20	30		DCEDRM
Cc1c([C@H](C)Nc2cnc(C#N)c(-c3nnn[n-]3)n2)cnn1C	ZINC001605483830	1169936020	/nfs/dbraw/zinc/93/60/20/1169936020.db2.gz	KETJWOGAILXRGO-ZETCQYMHSA-N	-1	0	310.325	0.743	20	30		DCEDRM
CCOC(=O)c1cnn(Cc2noc(CCC(=O)[O-])n2)c1C#N	ZINC001605580557	1169964194	/nfs/dbraw/zinc/96/41/94/1169964194.db2.gz	ZDTGZSVSQDXYJC-UHFFFAOYSA-N	-1	0	319.277	0.380	20	30		DCEDRM
CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CCN(C(=O)C#CC2CC2)CC1	ZINC001605957541	1170035900	/nfs/dbraw/zinc/03/59/00/1170035900.db2.gz	SIRHNAMKVHLQMC-UONOGXRCSA-N	-1	0	318.373	0.570	20	30		DCEDRM
Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)N(C)CC1CC1	ZINC001606023992	1170054705	/nfs/dbraw/zinc/05/47/05/1170054705.db2.gz	RPJAMXFBEAWTBK-UHFFFAOYSA-N	-1	0	300.326	0.112	20	30		DCEDRM
CN([C@]1(C#N)CCOC1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001606072144	1170069270	/nfs/dbraw/zinc/06/92/70/1170069270.db2.gz	KKUMRCORKWWLQN-AWEZNQCLSA-N	-1	0	324.358	0.829	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)N(C)Cc1cc(C#N)cs1	ZINC001606104987	1170077818	/nfs/dbraw/zinc/07/78/18/1170077818.db2.gz	XBCOZPZKHALQPG-UHFFFAOYSA-N	-1	0	317.392	0.703	20	30		DCEDRM
COC(=O)C1(NC(=O)c2ccc(C#N)[nH]2)CCC(C(=O)[O-])CC1	ZINC001606352251	1170168159	/nfs/dbraw/zinc/16/81/59/1170168159.db2.gz	BDCNXNWXUSCYQA-UHFFFAOYSA-N	-1	0	319.317	0.803	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(C#N)ccn1	ZINC001606370976	1170172635	/nfs/dbraw/zinc/17/26/35/1170172635.db2.gz	QCYNMUIQHNLRBL-PWSUYJOCSA-N	-1	0	317.301	0.432	20	30		DCEDRM
N#Cc1ncc(N2CC[C@@H]2[C@H]2CCCOC2)nc1-c1nnn[n-]1	ZINC001606396921	1170183112	/nfs/dbraw/zinc/18/31/12/1170183112.db2.gz	BRZWDNMQANWQFL-GXSJLCMTSA-N	-1	0	312.337	0.534	20	30		DCEDRM
N#Cc1ncc(N[C@H]2CCCn3nccc32)nc1-c1nnn[n-]1	ZINC001606398101	1170183377	/nfs/dbraw/zinc/18/33/77/1170183377.db2.gz	LZZLXJIHINFSJR-QMMMGPOBSA-N	-1	0	308.309	0.672	20	30		DCEDRM
COC(=O)COc1cccc(C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001606473067	1170215972	/nfs/dbraw/zinc/21/59/72/1170215972.db2.gz	AKUVNVFTCDSGJI-UHFFFAOYSA-N	-1	0	320.301	0.679	20	30		DCEDRM
COC(=O)Cc1cccc(C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001606479780	1170217262	/nfs/dbraw/zinc/21/72/62/1170217262.db2.gz	JSKZPOAGTYCSBO-UHFFFAOYSA-N	-1	0	304.302	0.843	20	30		DCEDRM
CO[C@H](C)c1noc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)n1	ZINC001606665576	1170255741	/nfs/dbraw/zinc/25/57/41/1170255741.db2.gz	RETGKILWQVDNAT-SSDOTTSWSA-N	-1	0	304.262	0.557	20	30		DCEDRM
COCCc1noc(CN(C)c2ccc(C(=O)[O-])nc2C#N)n1	ZINC001606923351	1170331519	/nfs/dbraw/zinc/33/15/19/1170331519.db2.gz	OMBXFNOIVJWKDO-UHFFFAOYSA-N	-1	0	317.305	0.860	20	30		DCEDRM
COCCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001606928087	1170332182	/nfs/dbraw/zinc/33/21/82/1170332182.db2.gz	RXUIPPZEJYGYIU-RBZYPMLTSA-N	-1	0	323.328	0.555	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1S(=O)(=O)O[C@H]1CNOC1	ZINC001607142917	1170410429	/nfs/dbraw/zinc/41/04/29/1170410429.db2.gz	PDTZJRCTDIYMGJ-QMMMGPOBSA-N	-1	0	303.292	0.002	20	30		DCEDRM
COc1cccc([C@H](C(=O)[O-])N2CCN(C(=O)CC#N)CC2)c1	ZINC001607311288	1170426282	/nfs/dbraw/zinc/42/62/82/1170426282.db2.gz	KQUDCPNMANVISU-OAHLLOKOSA-N	-1	0	317.345	0.879	20	30		DCEDRM
C[C@H]1CN(C(=O)NC2CCN(CC#N)CC2)C[C@]1(C)C(=O)[O-]	ZINC001607470435	1170461502	/nfs/dbraw/zinc/46/15/02/1170461502.db2.gz	JYTSFMIYFUVCCO-NHYWBVRUSA-N	-1	0	308.382	0.727	20	30		DCEDRM
Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)cnn1CC(=O)[O-]	ZINC001607537975	1170475151	/nfs/dbraw/zinc/47/51/51/1170475151.db2.gz	FDPCXDUJRQRDKO-VHSXEESVSA-N	-1	0	319.321	0.023	20	30		DCEDRM
Cc1nnc2n1C[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)CC2	ZINC001608017539	1170550689	/nfs/dbraw/zinc/55/06/89/1170550689.db2.gz	CCSIBFQZAURVNM-NSHDSACASA-N	-1	0	317.349	0.366	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CCCC1	ZINC001608175918	1170609046	/nfs/dbraw/zinc/60/90/46/1170609046.db2.gz	QKGPYBNRSIIAHZ-QWRGUYRKSA-N	-1	0	316.379	0.168	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])CC1	ZINC001608175724	1170609323	/nfs/dbraw/zinc/60/93/23/1170609323.db2.gz	MJWWJPVYLQXZMW-GHMZBOCLSA-N	-1	0	316.379	0.479	20	30		DCEDRM
N#CC1(CNC(=O)NCCC(=O)NCCC(=O)[O-])CCCCC1	ZINC001608174983	1170609579	/nfs/dbraw/zinc/60/95/79/1170609579.db2.gz	KEAAIBIVQNGKRI-UHFFFAOYSA-N	-1	0	324.381	0.741	20	30		DCEDRM
N#CC1(CC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CCOCC1	ZINC001608176145	1170609584	/nfs/dbraw/zinc/60/95/84/1170609584.db2.gz	PXAPQZQZTKWLJV-HNNXBMFYSA-N	-1	0	321.333	0.529	20	30		DCEDRM
N#CC[C@H](N1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O)C(F)(F)F	ZINC001608178996	1170610206	/nfs/dbraw/zinc/61/02/06/1170610206.db2.gz	UIHYDDHJRXUMFA-MVIOUDGNSA-N	-1	0	305.212	0.472	20	30		DCEDRM
N#C[C@@H]1C[C@H]1c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1CC1CC1	ZINC001608179573	1170610246	/nfs/dbraw/zinc/61/02/46/1170610246.db2.gz	XPEDSEIEWHHUPB-QJPTWQEYSA-N	-1	0	317.349	0.605	20	30		DCEDRM
N#C[C@H]1CSCCN1C(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001608179968	1170610512	/nfs/dbraw/zinc/61/05/12/1170610512.db2.gz	RZJOSSOYPBNFHW-JTQLQIEISA-N	-1	0	308.363	0.829	20	30		DCEDRM
N#C[C@@]1(F)CCN(CC(=O)Nc2nc(CC(=O)[O-])cs2)C1	ZINC001608177265	1170610965	/nfs/dbraw/zinc/61/09/65/1170610965.db2.gz	PGJPGJRRSFKDFJ-LBPRGKRZSA-N	-1	0	312.326	0.646	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC001608183678	1170611222	/nfs/dbraw/zinc/61/12/22/1170611222.db2.gz	GGVWMQXYBQYTKC-UHFFFAOYSA-N	-1	0	312.669	0.881	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1	ZINC001608184199	1170611367	/nfs/dbraw/zinc/61/13/67/1170611367.db2.gz	SJORSNCEKJAJME-CYBMUJFWSA-N	-1	0	315.329	0.585	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CN1C(=O)COc2ccccc21	ZINC001608185517	1170611796	/nfs/dbraw/zinc/61/17/96/1170611796.db2.gz	VNVANWVQBHITFF-UHFFFAOYSA-N	-1	0	317.301	0.239	20	30		DCEDRM
N#CCCN(CC1CC1)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001608183186	1170611979	/nfs/dbraw/zinc/61/19/79/1170611979.db2.gz	VPANUDZTMXRYSV-UHFFFAOYSA-N	-1	0	316.317	0.871	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccn(CC(F)(F)F)n1	ZINC001608186988	1170613095	/nfs/dbraw/zinc/61/30/95/1170613095.db2.gz	ZBRZEUDXUROEEO-UHFFFAOYSA-N	-1	0	304.228	0.886	20	30		DCEDRM
N#Cc1c(CN2CCC[C@@H](S(N)(=O)=O)C2)cccc1C(=O)[O-]	ZINC001608192173	1170613736	/nfs/dbraw/zinc/61/37/36/1170613736.db2.gz	WCZGOBMEAAKIIL-LLVKDONJSA-N	-1	0	323.374	0.509	20	30		DCEDRM
N#Cc1ccc(C2(C(=O)N3CCO[C@@H](C(=O)[O-])C3)CC2)cc1	ZINC001608203532	1170614633	/nfs/dbraw/zinc/61/46/33/1170614633.db2.gz	OVCOVQOIKGYXJA-CYBMUJFWSA-N	-1	0	300.314	0.902	20	30		DCEDRM
N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1	ZINC001608209088	1170615788	/nfs/dbraw/zinc/61/57/88/1170615788.db2.gz	WEZBHVQPLKGYNB-JLVKAVFRSA-N	-1	0	301.306	0.153	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(CO)C2)c(C(=O)[O-])c1	ZINC001608209868	1170615848	/nfs/dbraw/zinc/61/58/48/1170615848.db2.gz	UFNHJKAJKWMPMW-IINYFYTJSA-N	-1	0	322.342	0.259	20	30		DCEDRM
N#Cc1ccc(NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CCC2)nn1	ZINC001608208698	1170616438	/nfs/dbraw/zinc/61/64/38/1170616438.db2.gz	LHLOIYPEYUYVHP-MNOVXSKESA-N	-1	0	315.333	0.520	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCO[C@H](CC(=O)[O-])C2)c1	ZINC001608218734	1170617171	/nfs/dbraw/zinc/61/71/71/1170617171.db2.gz	XEKQVIACWCMIRN-CYBMUJFWSA-N	-1	0	304.302	0.639	20	30		DCEDRM
N#Cc1cccc(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)n1	ZINC001608214468	1170617341	/nfs/dbraw/zinc/61/73/41/1170617341.db2.gz	BEOOESDRUIJHHI-GFCCVEGCSA-N	-1	0	317.301	0.576	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)c1	ZINC001608217958	1170617601	/nfs/dbraw/zinc/61/76/01/1170617601.db2.gz	AJEWRFUSVGUXBJ-WCQYABFASA-N	-1	0	324.358	0.574	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001608221857	1170618363	/nfs/dbraw/zinc/61/83/63/1170618363.db2.gz	VYXSTHBOEJJEIS-PHIMTYICSA-N	-1	0	303.322	0.528	20	30		DCEDRM
N#Cc1cccnc1N1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001608221912	1170618432	/nfs/dbraw/zinc/61/84/32/1170618432.db2.gz	ZINWNSNZSHESRY-QWHCGFSZSA-N	-1	0	314.345	0.713	20	30		DCEDRM
N#Cc1csc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])c1	ZINC001608221956	1170618719	/nfs/dbraw/zinc/61/87/19/1170618719.db2.gz	CFHIHCXKMXBFKI-VIFPVBQESA-N	-1	0	310.331	0.956	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1	ZINC001608223346	1170619383	/nfs/dbraw/zinc/61/93/83/1170619383.db2.gz	AMMREKPAHRFVLA-UWVGGRQHSA-N	-1	0	321.358	0.522	20	30		DCEDRM
N#Cc1cnccc1N1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001608223139	1170619778	/nfs/dbraw/zinc/61/97/78/1170619778.db2.gz	VDYMGBMKPWZNTL-STQMWFEESA-N	-1	0	314.345	0.713	20	30		DCEDRM
O=C([O-])C1(NC(=O)C#Cc2ccc3c(c2)OCO3)CC(CO)C1	ZINC001608277432	1170640470	/nfs/dbraw/zinc/64/04/70/1170640470.db2.gz	JWINAVXSTPGKNY-UHFFFAOYSA-N	-1	0	317.297	0.109	20	30		DCEDRM
C#C[C@H](C)N(C)S(=O)(=O)Cc1ccc(F)cc1-c1nn[nH]n1	ZINC001609019297	1170785431	/nfs/dbraw/zinc/78/54/31/1170785431.db2.gz	QPVCILBBHQSLCB-VIFPVBQESA-N	-1	0	323.353	0.789	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001609057882	1170795040	/nfs/dbraw/zinc/79/50/40/1170795040.db2.gz	IQILHMHVSLCSSJ-GRYCIOLGSA-N	-1	0	301.364	0.294	20	30		DCEDRM
C#CC[C@H](NC(=O)c1c[nH]nc1-c1cnn(CC)c1)C(=O)[O-]	ZINC001609078806	1170802091	/nfs/dbraw/zinc/80/20/91/1170802091.db2.gz	JGKMXEFFFROHOM-NSHDSACASA-N	-1	0	301.306	0.499	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cnc(C(=O)OC(C)(C)C)cn1)C(=O)[O-]	ZINC001609089134	1170804893	/nfs/dbraw/zinc/80/48/93/1170804893.db2.gz	FTRRPELRXRFVIG-VIFPVBQESA-N	-1	0	319.317	0.638	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-]	ZINC001609090066	1170807987	/nfs/dbraw/zinc/80/79/87/1170807987.db2.gz	YWICLCDNZNKIMB-ZETCQYMHSA-N	-1	0	318.332	0.720	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001609105210	1170810036	/nfs/dbraw/zinc/81/00/36/1170810036.db2.gz	OQQFKSHNUALGKX-LLVKDONJSA-N	-1	0	320.345	0.657	20	30		DCEDRM
C[C@@H](OCC1CC1)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001609132753	1170823310	/nfs/dbraw/zinc/82/33/10/1170823310.db2.gz	HDCNVNQSFYDNCU-ZCFIWIBFSA-N	-1	0	302.298	0.215	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001609225976	1170876829	/nfs/dbraw/zinc/87/68/29/1170876829.db2.gz	DJAFRNFORDKLQC-OBJOEFQTSA-N	-1	0	312.366	0.853	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC001609267019	1170903966	/nfs/dbraw/zinc/90/39/66/1170903966.db2.gz	IGIPCMDRRNEREF-NSHDSACASA-N	-1	0	306.318	0.949	20	30		DCEDRM
COC(=O)c1ccc(Cn2cnc(-c3nnn[n-]3)c2C#N)nc1	ZINC001609303476	1170924865	/nfs/dbraw/zinc/92/48/65/1170924865.db2.gz	WRUSBVMHLWPEBD-UHFFFAOYSA-N	-1	0	310.277	0.165	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001609341130	1170945642	/nfs/dbraw/zinc/94/56/42/1170945642.db2.gz	ZFTORKYPMNBNKC-GFCCVEGCSA-N	-1	0	324.377	0.409	20	30		DCEDRM
C=CCN(CC(=O)OCC)S(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001609356825	1170948864	/nfs/dbraw/zinc/94/88/64/1170948864.db2.gz	LPUPIBPCEDIGKW-UHFFFAOYSA-N	-1	0	319.379	0.622	20	30		DCEDRM
C=CCN1CCN(C[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1=O	ZINC001609398708	1170965540	/nfs/dbraw/zinc/96/55/40/1170965540.db2.gz	DIXAVNIJQOORID-SWLSCSKDSA-N	-1	0	309.366	0.291	20	30		DCEDRM
C=CCOC[C@H](NCc1cnc(C2OCCO2)s1)C(=O)[O-]	ZINC001609452294	1170983759	/nfs/dbraw/zinc/98/37/59/1170983759.db2.gz	GGBOJVZGJKBDKA-JTQLQIEISA-N	-1	0	314.363	0.934	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001609489281	1170995846	/nfs/dbraw/zinc/99/58/46/1170995846.db2.gz	YGPXKBXCRLDGPN-VIFPVBQESA-N	-1	0	324.358	0.584	20	30		DCEDRM
N#CCCOCCn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2	ZINC001609495514	1170997697	/nfs/dbraw/zinc/99/76/97/1170997697.db2.gz	UHGLWFVVNHBDCZ-UHFFFAOYSA-N	-1	0	300.322	0.447	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)c1ccncc1Cl	ZINC001609496910	1170999083	/nfs/dbraw/zinc/99/90/83/1170999083.db2.gz	NCAUHMKOCMYMGF-UHFFFAOYSA-N	-1	0	314.696	0.866	20	30		DCEDRM
C[C@H](NC(=O)CON=Cc1ccc(C(=O)[O-])cc1)C(=O)N(C)C	ZINC001609764062	1171081382	/nfs/dbraw/zinc/08/13/82/1171081382.db2.gz	OTZOBCFDKOROOL-JTQLQIEISA-N	-1	0	321.333	0.328	20	30		DCEDRM
C[C@@H](OC(=O)C1(c2cccc(C#N)c2)CC1)C(=O)NCC(=O)[O-]	ZINC001609789112	1171086862	/nfs/dbraw/zinc/08/68/62/1171086862.db2.gz	GGMYXQMQCTUIPU-SNVBAGLBSA-N	-1	0	316.313	0.722	20	30		DCEDRM
CC1(C)OCC(CO)(NCc2cccc(C(=O)[O-])c2C#N)CO1	ZINC001609819685	1171094009	/nfs/dbraw/zinc/09/40/09/1171094009.db2.gz	PMDPFUHMHHKKKT-UHFFFAOYSA-N	-1	0	320.345	0.860	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1sccc1C#N	ZINC001609834602	1171100532	/nfs/dbraw/zinc/10/05/32/1171100532.db2.gz	NFYZQNXLAPRCRS-VXNVDRBHSA-N	-1	0	307.331	0.880	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1Cc1ccncc1C#N	ZINC001610166590	1171184261	/nfs/dbraw/zinc/18/42/61/1171184261.db2.gz	SBRLAURXLRCPBU-GWCFXTLKSA-N	-1	0	303.318	0.791	20	30		DCEDRM
CON=CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1OC	ZINC001610277578	1171214725	/nfs/dbraw/zinc/21/47/25/1171214725.db2.gz	MUWMPSTZSFDYHZ-LLVKDONJSA-N	-1	0	310.306	0.968	20	30		DCEDRM
COc1cc(C(=O)[O-])sc1S(=O)(=O)N1CC(C#N)C1	ZINC001610291794	1171216859	/nfs/dbraw/zinc/21/68/59/1171216859.db2.gz	QRAWDKGUDWVIGF-UHFFFAOYSA-N	-1	0	302.333	0.599	20	30		DCEDRM
COc1cc(NC(=O)C(=O)N(C)CCC#N)ccc1C(=O)[O-]	ZINC001610299885	1171217593	/nfs/dbraw/zinc/21/75/93/1171217593.db2.gz	MNEWZZJIOVPKNL-UHFFFAOYSA-N	-1	0	305.290	0.704	20	30		DCEDRM
CSC[C@](C)(C#N)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001610381634	1171228269	/nfs/dbraw/zinc/22/82/69/1171228269.db2.gz	XUYYAWNMUKYMJV-NSHDSACASA-N	-1	0	315.376	0.703	20	30		DCEDRM
Cc1cc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)ccc1C(=O)[O-]	ZINC001610476726	1171241099	/nfs/dbraw/zinc/24/10/99/1171241099.db2.gz	FJPQFZZSYAJUFC-CQSZACIVSA-N	-1	0	324.358	0.996	20	30		DCEDRM
Cc1nn(CCC(=O)[O-])c(C)c1CN1CCN(CC#N)CC1	ZINC001610570605	1171256544	/nfs/dbraw/zinc/25/65/44/1171256544.db2.gz	FQXJKVHZAVJAEO-UHFFFAOYSA-N	-1	0	305.382	0.616	20	30		DCEDRM
N#C[C@@H]1CSCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001610620491	1171270656	/nfs/dbraw/zinc/27/06/56/1171270656.db2.gz	HYNWDBNMDUGKSU-SSDOTTSWSA-N	-1	0	301.349	0.343	20	30		DCEDRM
N#CCN(C(=O)Cn1nc(C(=O)[O-])ccc1=O)c1ccccc1	ZINC001610622204	1171271277	/nfs/dbraw/zinc/27/12/77/1171271277.db2.gz	NUKKWZXFJITUFX-UHFFFAOYSA-N	-1	0	312.285	0.498	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)Nc1ccc(OCc2nnn[n-]2)cc1	ZINC001629336683	1171546821	/nfs/dbraw/zinc/54/68/21/1171546821.db2.gz	JQNIVTJQJSIEDS-JTQLQIEISA-N	-1	0	301.306	0.756	20	30		DCEDRM
N#Cc1c(F)ccc(NC(=O)c2c[n-]n3c2nccc3=O)c1N	ZINC001631088868	1171587064	/nfs/dbraw/zinc/58/70/64/1171587064.db2.gz	JZTDBWNSVNFDHX-UHFFFAOYSA-N	-1	0	312.264	0.868	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)N[C@H]3CC=CCC3)C2)c(=O)[n-]c1=O	ZINC001631983037	1171607899	/nfs/dbraw/zinc/60/78/99/1171607899.db2.gz	WNIPAKDKICTUSM-NSHDSACASA-N	-1	0	315.333	0.496	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccn3ccnc3c2)c(=O)[n-]c1=O	ZINC001634731887	1171685454	/nfs/dbraw/zinc/68/54/54/1171685454.db2.gz	VUYXGRXTBUUAFX-UHFFFAOYSA-N	-1	0	310.273	0.107	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001635975515	1171720015	/nfs/dbraw/zinc/72/00/15/1171720015.db2.gz	CCGOKUKMZYBVDG-NEPJUHHUSA-N	-1	0	318.333	0.060	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccccc2-n2ccnn2)[n-]c1C#N	ZINC001643938934	1171991618	/nfs/dbraw/zinc/99/16/18/1171991618.db2.gz	JLWISFUZJBSLRX-UHFFFAOYSA-N	-1	0	304.273	0.986	20	30		DCEDRM
N#Cc1cccc(C2(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)CC2)c1	ZINC001647112046	1172680739	/nfs/dbraw/zinc/68/07/39/1172680739.db2.gz	SBCBZRMRLIXHMW-ZDUSSCGKSA-N	-1	0	320.370	0.825	20	30		DCEDRM
COc1ccccc1CCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001650230690	1173525909	/nfs/dbraw/zinc/52/59/09/1173525909.db2.gz	MHCQUQQOYZGFLM-UHFFFAOYSA-N	-1	0	300.318	0.608	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCO[C@H]2CCCCO2)o1	ZINC001655485297	1173819939	/nfs/dbraw/zinc/81/99/39/1173819939.db2.gz	ZZTXGJASASLMTM-NSHDSACASA-N	-1	0	300.336	0.973	20	30		DCEDRM
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC(=O)[N-]OC)c1	ZINC001679283098	1175716379	/nfs/dbraw/zinc/71/63/79/1175716379.db2.gz	UUQZRLLWUAFMLM-LBPRGKRZSA-N	-1	0	320.349	0.844	20	30		DCEDRM
C=CCC(C)(C)CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001682857618	1175949477	/nfs/dbraw/zinc/94/94/77/1175949477.db2.gz	YYLVYNSRIWNGHA-UHFFFAOYSA-N	-1	0	319.365	0.722	20	30		DCEDRM
C#CCOCCC(=O)NC1CN(C(=O)c2ccccc2O)C1	ZINC001688610221	1176540886	/nfs/dbraw/zinc/54/08/86/1176540886.db2.gz	CQMBXNYEJXLAET-UHFFFAOYSA-N	-1	0	302.330	0.373	20	30		DCEDRM
C=CCOCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001701120431	1178930840	/nfs/dbraw/zinc/93/08/40/1178930840.db2.gz	VIGQZIBICBNZAT-IUCAKERBSA-N	-1	0	310.354	0.249	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)[C@@H](C)CNCC#N)cc1=O	ZINC001715344413	1181781643	/nfs/dbraw/zinc/78/16/43/1181781643.db2.gz	OVUDAEXYBIRYER-LBPRGKRZSA-N	-1	0	307.398	0.335	20	30		DCEDRM
C=CCC(CC=C)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001716651819	1182479857	/nfs/dbraw/zinc/47/98/57/1182479857.db2.gz	FHFOBWXVYLATPW-GFCCVEGCSA-N	-1	0	305.382	0.969	20	30		DCEDRM
C=CCCCC(=O)NC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O	ZINC001720935069	1183772748	/nfs/dbraw/zinc/77/27/48/1183772748.db2.gz	XHGRWMRTFARHIZ-SNVBAGLBSA-N	-1	0	322.365	0.077	20	30		DCEDRM
C=CC(C)(C)C(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001721407755	1183934811	/nfs/dbraw/zinc/93/48/11/1183934811.db2.gz	RUHTVAYPYHMXCI-UHFFFAOYSA-N	-1	0	306.366	0.824	20	30		DCEDRM
C=CCOCC(=O)NC[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001726216853	1185120710	/nfs/dbraw/zinc/12/07/10/1185120710.db2.gz	LKRXFDQTGHHBPV-XYPYZODXSA-N	-1	0	322.365	0.251	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[nH]n1	ZINC001736011028	1186963081	/nfs/dbraw/zinc/96/30/81/1186963081.db2.gz	NPHXRCZXZXSRFC-VXGBXAGGSA-N	-1	0	303.366	0.621	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001737433080	1187331102	/nfs/dbraw/zinc/33/11/02/1187331102.db2.gz	CDIRDFVMYUWQSW-QWRGUYRKSA-N	-1	0	322.365	0.346	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001739380480	1187788417	/nfs/dbraw/zinc/78/84/17/1187788417.db2.gz	TZLHXMQPRBUHKP-OAHLLOKOSA-N	-1	0	322.365	0.034	20	30		DCEDRM
C#CCCCC(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001739400054	1187791159	/nfs/dbraw/zinc/79/11/59/1187791159.db2.gz	QCUFPSAFNROFSU-UHFFFAOYSA-N	-1	0	304.350	0.510	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2CCC(=O)N(C)C2)cc1C#N	ZINC001771608452	1188344395	/nfs/dbraw/zinc/34/43/95/1188344395.db2.gz	SEDUBQCNVZPZQD-VIFPVBQESA-N	-1	0	320.374	0.731	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)C#CC(C)(C)C)C1	ZINC001752990263	1188472952	/nfs/dbraw/zinc/47/29/52/1188472952.db2.gz	DLROFQPPYSTEON-LBPRGKRZSA-N	-1	0	319.409	0.983	20	30		DCEDRM
CN(CC#N)CCCN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001755044747	1189005303	/nfs/dbraw/zinc/00/53/03/1189005303.db2.gz	YFVNYQIIEAGPGP-UHFFFAOYSA-N	-1	0	303.322	0.846	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001756543414	1189390081	/nfs/dbraw/zinc/39/00/81/1189390081.db2.gz	PMHOVNOVGDPSSX-QWRGUYRKSA-N	-1	0	324.381	0.233	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)COCc1ccncc1	ZINC001771701689	1190472099	/nfs/dbraw/zinc/47/20/99/1190472099.db2.gz	ZQKYVYOLXLNUFL-UHFFFAOYSA-N	-1	0	311.363	0.594	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c(C#N)c1=O	ZINC001772114938	1190610737	/nfs/dbraw/zinc/61/07/37/1190610737.db2.gz	RUMIHOSQTUNREX-JMJZKYOTSA-N	-1	0	304.350	0.561	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC(C(F)(F)F)CC2)c(C#N)c1=O	ZINC001772113717	1190610796	/nfs/dbraw/zinc/61/07/96/1190610796.db2.gz	IPCWACQIFABCCP-UHFFFAOYSA-N	-1	0	302.256	0.724	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2CC[C@H](C(F)(F)F)O2)c(C#N)c1=O	ZINC001772118988	1190611471	/nfs/dbraw/zinc/61/14/71/1190611471.db2.gz	LDECKYVEKPQLGO-POYBYMJQSA-N	-1	0	318.255	0.467	20	30		DCEDRM
C=C(C)[C@H](CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)OCC	ZINC001167523699	747354254	/nfs/dbraw/zinc/35/42/54/747354254.db2.gz	PEJNNWMWQPGTTF-LBPRGKRZSA-N	-1	0	320.349	0.308	20	30		DCEDRM
C[C@H]1[C@H](Nc2cnc3[nH]cc(C#N)c3c2)C(=O)N1S(=O)(=O)[O-]	ZINC001167861330	748444657	/nfs/dbraw/zinc/44/46/57/748444657.db2.gz	PECVMIJDECFBHJ-WKEGUHRASA-N	-1	0	321.318	0.249	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nnc(OC)s1	ZINC001226524240	748902011	/nfs/dbraw/zinc/90/20/11/748902011.db2.gz	OCUQYMHGYNXDSD-ZETCQYMHSA-N	-1	0	310.353	0.385	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)Nc2cncc(C#N)n2)c1[O-]	ZINC001112990574	762073979	/nfs/dbraw/zinc/07/39/79/762073979.db2.gz	HXOBDYSCRMZWPV-SFYZADRCSA-N	-1	0	315.337	0.704	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)Nc2cnc(C#N)cn2)c1[O-]	ZINC001112990957	762074159	/nfs/dbraw/zinc/07/41/59/762074159.db2.gz	NCMFWMKNTDKTHA-JGVFFNPUSA-N	-1	0	315.337	0.704	20	30		DCEDRM
CCN(CCNc1cncc(C#N)n1)C(=O)c1n[nH]c(C)c1[O-]	ZINC001106725543	751247554	/nfs/dbraw/zinc/24/75/54/751247554.db2.gz	GROFZXDWXPABTD-UHFFFAOYSA-N	-1	0	315.337	0.660	20	30		DCEDRM
C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001046224642	753569945	/nfs/dbraw/zinc/56/99/45/753569945.db2.gz	TXJDJMXUYSWQIJ-AWEZNQCLSA-N	-1	0	315.337	0.104	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)nc2)c1[O-]	ZINC001062477527	754759042	/nfs/dbraw/zinc/75/90/42/754759042.db2.gz	KRIFCFGVORCCPV-STQMWFEESA-N	-1	0	324.344	0.794	20	30		DCEDRM
C=C(C)CN1CC2(C1)C[C@H](NC(=O)c1[nH]nc(C)c1[O-])CO2	ZINC001053775385	756197108	/nfs/dbraw/zinc/19/71/08/756197108.db2.gz	WBWZBJFQEZMNJX-NSHDSACASA-N	-1	0	306.366	0.573	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCCNc2nccnc2C#N)c1[O-]	ZINC001109413113	761402632	/nfs/dbraw/zinc/40/26/32/761402632.db2.gz	FRKNDDXUOGYIGH-UHFFFAOYSA-N	-1	0	315.337	0.660	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1cccc[n+]1[O-])C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170747777	765491802	/nfs/dbraw/zinc/49/18/02/765491802.db2.gz	WQUDQFQZOQQLHS-QMTHXVAHSA-N	-1	0	323.374	0.285	20	30		DCEDRM
CSCCO[N-]C(=O)C(=O)NCc1cccc(OCC#N)c1	ZINC001117339252	766026829	/nfs/dbraw/zinc/02/68/29/766026829.db2.gz	JRPZPKOUJFIFAK-UHFFFAOYSA-N	-1	0	323.374	0.616	20	30		DCEDRM
CCOC(=O)c1cc(C=Nn2c(=O)c(C)n[n-]c2=S)on1	ZINC001117717773	766133692	/nfs/dbraw/zinc/13/36/92/766133692.db2.gz	WVPNEJGFZFSFSJ-UHFFFAOYSA-N	-1	0	309.307	0.282	20	30		DCEDRM
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001118480605	766328039	/nfs/dbraw/zinc/32/80/39/766328039.db2.gz	HWSXEXCWZAQFRF-SECBINFHSA-N	-1	0	321.337	0.402	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C(=O)[O-]	ZINC001119582283	766738717	/nfs/dbraw/zinc/73/87/17/766738717.db2.gz	VEYRIZZPEVHHAX-CYBMUJFWSA-N	-1	0	316.361	0.040	20	30		DCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2c3c(nn2C)CCOC3)C(=O)O1	ZINC001120077694	766895421	/nfs/dbraw/zinc/89/54/21/766895421.db2.gz	AFBBRABNOHAEBU-JZIMQPMSSA-N	-1	0	316.313	0.721	20	30		DCEDRM
C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)[N-]Oc1cccc(C#N)c1	ZINC001171255207	767302036	/nfs/dbraw/zinc/30/20/36/767302036.db2.gz	CKGMBMYKEQFSJW-NOZJJQNGSA-N	-1	0	303.318	0.244	20	30		DCEDRM
C#CCN(CC#CC)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(=C)C	ZINC001122512293	767821097	/nfs/dbraw/zinc/82/10/97/767821097.db2.gz	KRTNXZDNCQRGOE-UHFFFAOYSA-N	-1	0	310.361	0.541	20	30		DCEDRM
N#Cc1cc(NC(=O)c2nccnc2C(N)=O)c([O-])cc1F	ZINC001147758937	767833739	/nfs/dbraw/zinc/83/37/39/767833739.db2.gz	WGRQOHXPLMYXLZ-UHFFFAOYSA-N	-1	0	301.237	0.544	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001231094224	769170125	/nfs/dbraw/zinc/17/01/25/769170125.db2.gz	FQBSVGHCNVTZIE-NEPJUHHUSA-N	-1	0	323.397	0.524	20	30		DCEDRM
COCC#CCN1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001233634554	769415768	/nfs/dbraw/zinc/41/57/68/769415768.db2.gz	MSCFITGBLUCSDD-LBPRGKRZSA-N	-1	0	306.366	0.220	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nccc(Cl)n1	ZINC001234538499	769683895	/nfs/dbraw/zinc/68/38/95/769683895.db2.gz	QNITWVSMKGJGOH-QMMMGPOBSA-N	-1	0	308.743	0.968	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccnc(CC)n1	ZINC001234698124	769718782	/nfs/dbraw/zinc/71/87/82/769718782.db2.gz	PVLBGGRVHBAYOE-JTQLQIEISA-N	-1	0	302.352	0.877	20	30		DCEDRM
NC(=NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)c1ncc[nH]1	ZINC001155231335	770443866	/nfs/dbraw/zinc/44/38/66/770443866.db2.gz	JNTJDGSBJIXUIN-UHFFFAOYSA-N	-1	0	314.257	0.473	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1ccc(N)cn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001159645964	771937878	/nfs/dbraw/zinc/93/78/78/771937878.db2.gz	PMUUQRZVLGSZFL-YMTOWFKASA-N	-1	0	322.390	0.629	20	30		DCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1	ZINC001185954304	771975244	/nfs/dbraw/zinc/97/52/44/771975244.db2.gz	OYJKCHFVEHHFOH-UHFFFAOYSA-N	-1	0	302.319	0.969	20	30		DCEDRM
N#CNC(=NC(=O)c1[n-]nnc1C(F)(F)F)c1ccncc1	ZINC001187771195	772217195	/nfs/dbraw/zinc/21/71/95/772217195.db2.gz	YRJMGLLORNERRZ-UHFFFAOYSA-N	-1	0	309.211	0.876	20	30		DCEDRM
N#Cc1ccc(C(=O)NC(=N)SCCS(=O)(=O)[O-])o1	ZINC001192684489	772947212	/nfs/dbraw/zinc/94/72/12/772947212.db2.gz	ZBIODDKKAPLHDN-UHFFFAOYSA-N	-1	0	303.321	0.437	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1CCCCO1	ZINC001192943455	772976445	/nfs/dbraw/zinc/97/64/45/772976445.db2.gz	OVHSMZXWERIJLP-VIFPVBQESA-N	-1	0	322.350	0.791	20	30		DCEDRM
C#Cc1nc(Br)cnc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193105151	773006148	/nfs/dbraw/zinc/00/61/48/773006148.db2.gz	RJHCHCLANXBRGZ-LURJTMIESA-N	-1	0	315.152	0.874	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(S(=O)(=O)N(C)C)c1	ZINC001193147052	773018718	/nfs/dbraw/zinc/01/87/18/773018718.db2.gz	WGUFGYZNIGWKRF-VIFPVBQESA-N	-1	0	317.392	0.591	20	30		DCEDRM
N#Cc1ccc(N2CCCN(C(=O)c3cc(=O)[nH][n-]3)CC2)nc1	ZINC001193466875	773067342	/nfs/dbraw/zinc/06/73/42/773067342.db2.gz	IDTUHIUFIICRGT-UHFFFAOYSA-N	-1	0	312.333	0.734	20	30		DCEDRM
COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2nccn2C)c1	ZINC001193605232	773096528	/nfs/dbraw/zinc/09/65/28/773096528.db2.gz	ZXLSCBZGIWMPFL-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)Cc1noc2ccccc12	ZINC001194119964	773150717	/nfs/dbraw/zinc/15/07/17/773150717.db2.gz	VSGMHXYIZGLIDZ-SNVBAGLBSA-N	-1	0	323.330	0.702	20	30		DCEDRM
COc1ccc(S(=O)(=O)[N-]c2ncc(C#N)nc2C)cn1	ZINC001195695739	773463960	/nfs/dbraw/zinc/46/39/60/773463960.db2.gz	WLMPLHVCGKIKDU-UHFFFAOYSA-N	-1	0	305.319	0.861	20	30		DCEDRM
CCOC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)cc2[O-])CCO1	ZINC001195741527	773474152	/nfs/dbraw/zinc/47/41/52/773474152.db2.gz	MTNWCSBJNLLTGU-ZDUSSCGKSA-N	-1	0	304.302	0.668	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC(=O)N(C)C1CC1	ZINC001224304906	775557487	/nfs/dbraw/zinc/55/74/87/775557487.db2.gz	WPJKFFPNQOXIKT-LLVKDONJSA-N	-1	0	307.368	0.083	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc2nccn2n1	ZINC001226578993	775840285	/nfs/dbraw/zinc/84/02/85/775840285.db2.gz	BJANLYRCNXSREG-JTQLQIEISA-N	-1	0	313.335	0.567	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1[nH]c(=O)nc(C)c1C	ZINC001226980075	775905991	/nfs/dbraw/zinc/90/59/91/775905991.db2.gz	AWVBKGJIWMIWMI-JTQLQIEISA-N	-1	0	318.351	0.637	20	30		DCEDRM
C[C@@H]1OCc2c1[n-]c(=O)nc2O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)N2C	ZINC001227717561	776000300	/nfs/dbraw/zinc/00/03/00/776000300.db2.gz	YTOSOOOWIGMGFG-FCRYXOBHSA-N	-1	0	305.334	0.765	20	30		DCEDRM
C#C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC001588326717	1166523364	/nfs/dbraw/zinc/52/33/64/1166523364.db2.gz	SQWSNMAODHTWRW-ZCFIWIBFSA-N	-1	0	304.335	0.441	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCC1(OCCOC)CCOCC1	ZINC001602782436	1169182673	/nfs/dbraw/zinc/18/26/73/1169182673.db2.gz	MIARYWWUDLUNFH-UHFFFAOYSA-N	-1	0	315.366	0.736	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC001602787810	1169183060	/nfs/dbraw/zinc/18/30/60/1169183060.db2.gz	SLNIKIXVGKBLHQ-CQSZACIVSA-N	-1	0	309.322	0.352	20	30		DCEDRM
CC#CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001602947324	1169219229	/nfs/dbraw/zinc/21/92/29/1169219229.db2.gz	UUPMXKIHANUIDW-UHFFFAOYSA-N	-1	0	304.302	0.862	20	30		DCEDRM
C=C(C)CN1CC[C@]2(CCN(C(=O)c3cc(=O)[nH]cn3)C2)C1=O	ZINC001269131360	940626221	/nfs/dbraw/zinc/62/62/21/940626221.db2.gz	ZIIYWBUQAHXFNX-MRXNPFEDSA-N	-1	0	316.361	0.823	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCc2onc(C(=O)[N-]c3nnco3)c2C1	ZINC001271209990	941322609	/nfs/dbraw/zinc/32/26/09/941322609.db2.gz	AQWLVZYITHGBOQ-ZETCQYMHSA-N	-1	0	316.277	0.354	20	30		DCEDRM
C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1cnc[nH]c1=O	ZINC001271629863	941413522	/nfs/dbraw/zinc/41/35/22/941413522.db2.gz	JGYSMXGPBPCQCY-MRXNPFEDSA-N	-1	0	316.361	0.965	20	30		DCEDRM
CSc1cc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)ccn1	ZINC001412877251	942120240	/nfs/dbraw/zinc/12/02/40/942120240.db2.gz	CXTBWFOTWZZELZ-UHFFFAOYSA-N	-1	0	303.347	0.674	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H](CO)c2ccc(F)cc2)c(C#N)c1=O	ZINC001412887343	942124683	/nfs/dbraw/zinc/12/46/83/942124683.db2.gz	OUESZICWLUUFIK-SNVBAGLBSA-N	-1	0	318.308	0.272	20	30		DCEDRM
Cc1cc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)ccn1	ZINC001412979668	942170609	/nfs/dbraw/zinc/17/06/09/942170609.db2.gz	WZNQLADQWUNUAJ-UHFFFAOYSA-N	-1	0	313.317	0.231	20	30		DCEDRM
CCOC[C@@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1	ZINC001413041506	942225801	/nfs/dbraw/zinc/22/58/01/942225801.db2.gz	MAZRUKBYJMQFKL-ZDUSSCGKSA-N	-1	0	317.349	0.544	20	30		DCEDRM
CC(C)c1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n[nH]1	ZINC001413162187	942538906	/nfs/dbraw/zinc/53/89/06/942538906.db2.gz	VCZSVCIZBQPMCW-UHFFFAOYSA-N	-1	0	302.294	0.306	20	30		DCEDRM
COC(=O)c1coc(C[N-]S(=O)(=O)c2cccnc2C#N)n1	ZINC001413386229	942941419	/nfs/dbraw/zinc/94/14/19/942941419.db2.gz	BEZSTVNRAKNHPP-UHFFFAOYSA-N	-1	0	322.302	0.206	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCN(C(=O)C#CC(C)(C)C)CC2)c1[O-]	ZINC001491006609	943704767	/nfs/dbraw/zinc/70/47/67/943704767.db2.gz	VRPOVDNWLUUYOB-UHFFFAOYSA-N	-1	0	318.377	0.758	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001491205811	943833277	/nfs/dbraw/zinc/83/32/77/943833277.db2.gz	FYTLOJLGLOXOIB-LBPRGKRZSA-N	-1	0	305.382	0.640	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001491288210	943898676	/nfs/dbraw/zinc/89/86/76/943898676.db2.gz	RZKLLOOIUNPRAG-QWHCGFSZSA-N	-1	0	319.409	0.886	20	30		DCEDRM
CSC1(CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001413804475	944108498	/nfs/dbraw/zinc/10/84/98/944108498.db2.gz	KTVSWOGQJWLFFP-UHFFFAOYSA-N	-1	0	323.378	0.015	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCc3c(n[nH]c3C(N)=O)C2)c([O-])c1	ZINC001276864757	944334076	/nfs/dbraw/zinc/33/40/76/944334076.db2.gz	IAROSUIMKIRCMG-UHFFFAOYSA-N	-1	0	311.301	0.284	20	30		DCEDRM
C#CCCCC(=O)N[C@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001486152495	944608121	/nfs/dbraw/zinc/60/81/21/944608121.db2.gz	SYSOLLDGNOGMGY-LRDDRELGSA-N	-1	0	317.393	0.927	20	30		DCEDRM
C#CCOC[C@@H](O)CNc1c(C)cc(C)cc1S(=O)(=O)[O-]	ZINC001251868220	945804691	/nfs/dbraw/zinc/80/46/91/945804691.db2.gz	ZHUJXNAGWANGGC-LBPRGKRZSA-N	-1	0	313.375	0.973	20	30		DCEDRM
C=CC[C@H](NC(=O)NCCCOC1CCOCC1)C(=O)[O-]	ZINC001321279057	946248664	/nfs/dbraw/zinc/24/86/64/946248664.db2.gz	WLNFBQDRENUMRO-LBPRGKRZSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C#CCCCNC(=O)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602675606	971251706	/nfs/dbraw/zinc/25/17/06/971251706.db2.gz	CJMVKTPYLXRISF-BGMSHATGSA-N	-1	0	322.361	0.045	20	30		DCEDRM
CNC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC001258053753	946795418	/nfs/dbraw/zinc/79/54/18/946795418.db2.gz	NERNGAYMEWNQNT-UHFFFAOYSA-N	-1	0	317.330	0.509	20	30		DCEDRM
COC(=O)c1ncc([N-]S(=O)(=O)c2ccccc2C#N)cn1	ZINC001258201446	946810042	/nfs/dbraw/zinc/81/00/42/946810042.db2.gz	BWBHVTMKSWFVTM-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCCNC(=O)c1ccccc1	ZINC001602685577	971280707	/nfs/dbraw/zinc/28/07/07/971280707.db2.gz	AACLFFCHMCGOMX-UHFFFAOYSA-N	-1	0	317.345	0.536	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1nc(CN(C)C)cs1	ZINC001602685978	971284510	/nfs/dbraw/zinc/28/45/10/971284510.db2.gz	MDCGJOZYYWLEPZ-UHFFFAOYSA-N	-1	0	310.379	0.434	20	30		DCEDRM
Cc1c([N-]S(=O)(=O)c2cccc(C#N)c2)c(C(N)=O)nn1C	ZINC001259118465	946915012	/nfs/dbraw/zinc/91/50/12/946915012.db2.gz	PQONALUBKXNWDP-UHFFFAOYSA-N	-1	0	319.346	0.500	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n(CCO)n1	ZINC001259412037	946956213	/nfs/dbraw/zinc/95/62/13/946956213.db2.gz	OUVLXBKPWHPIGZ-UHFFFAOYSA-N	-1	0	324.337	0.995	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)Nc1ccc2c(c1)OCO2	ZINC001602695616	971310122	/nfs/dbraw/zinc/31/01/22/971310122.db2.gz	MMXIDAJBTCOHDJ-SNVBAGLBSA-N	-1	0	304.302	0.762	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1	ZINC001602699024	971315039	/nfs/dbraw/zinc/31/50/39/971315039.db2.gz	BONUIAGZDBYCFU-VXGBXAGGSA-N	-1	0	301.364	0.294	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C1=Cc2ccccc2OC1	ZINC001602699159	971316278	/nfs/dbraw/zinc/31/62/78/971316278.db2.gz	LPNQOSIEXBTBHR-UHFFFAOYSA-N	-1	0	307.327	0.770	20	30		DCEDRM
Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC001260037724	947052555	/nfs/dbraw/zinc/05/25/55/947052555.db2.gz	BCIIYLIFUZKLCC-UHFFFAOYSA-N	-1	0	319.346	0.333	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]c2cnc(C(N)=O)cn2)cc1	ZINC001260038631	947053174	/nfs/dbraw/zinc/05/31/74/947053174.db2.gz	PQVHLZFSZRCIDU-UHFFFAOYSA-N	-1	0	317.330	0.389	20	30		DCEDRM
CCOC(=O)C([N-]S(=O)(=O)Cc1ccc(C#N)cc1)=C(C)O	ZINC001260046511	947053654	/nfs/dbraw/zinc/05/36/54/947053654.db2.gz	SMSIZHIMSYNCOJ-ZDUSSCGKSA-N	-1	0	324.358	0.498	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)cc1	ZINC001260047158	947054942	/nfs/dbraw/zinc/05/49/42/947054942.db2.gz	IRRZJKOSMPQTPI-JTQLQIEISA-N	-1	0	311.344	0.287	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](C)O)n1C[C@@H]1CCCCO1	ZINC001602700781	971321736	/nfs/dbraw/zinc/32/17/36/971321736.db2.gz	IZMHHHQYDUWJQE-RYUDHWBXSA-N	-1	0	322.365	0.425	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2cnn(C)c2)n1CC=C	ZINC001602700853	971322554	/nfs/dbraw/zinc/32/25/54/971322554.db2.gz	LWQFLCPQRLMXOK-UHFFFAOYSA-N	-1	0	314.349	0.313	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)OC	ZINC001260231770	947088253	/nfs/dbraw/zinc/08/82/53/947088253.db2.gz	ZXSLPQOMUVUBEM-NSHDSACASA-N	-1	0	311.315	0.228	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CCC1=O	ZINC001260395991	947097288	/nfs/dbraw/zinc/09/72/88/947097288.db2.gz	IUKIPWUAZBJGRZ-MRVPVSSYSA-N	-1	0	324.314	0.194	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)[C@@H]1CCCO1	ZINC001323586419	947134760	/nfs/dbraw/zinc/13/47/60/947134760.db2.gz	BHABIVIRKSBCBO-IUCAKERBSA-N	-1	0	308.256	0.284	20	30		DCEDRM
CC(=O)Nc1ncc(S(=O)(=O)NC2(C#N)CCC2)s1	ZINC001260699784	947139143	/nfs/dbraw/zinc/13/91/43/947139143.db2.gz	JYMIJUWXUHROCV-UHFFFAOYSA-N	-1	0	300.365	0.826	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)[N-]c2c(C#N)ncn2C)c1	ZINC001260839140	947152325	/nfs/dbraw/zinc/15/23/25/947152325.db2.gz	RJFKFHXDLGDPBS-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC001602707481	971344538	/nfs/dbraw/zinc/34/45/38/971344538.db2.gz	WYSCVBAGFVXBNF-SRVKXCTJSA-N	-1	0	318.395	0.351	20	30		DCEDRM
C=CCN1C(=O)c2ccc(C(=O)N3CC(C(=O)[O-])C3)cc2C1=O	ZINC001602722635	971387112	/nfs/dbraw/zinc/38/71/12/971387112.db2.gz	COUMNRLUXRRZPP-UHFFFAOYSA-N	-1	0	314.297	0.625	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC001602729693	971400412	/nfs/dbraw/zinc/40/04/12/971400412.db2.gz	BEIAAJNNEQPXAT-TUAOUCFPSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602731062	971411571	/nfs/dbraw/zinc/41/15/71/971411571.db2.gz	QHPRQRULELFJBK-ZJUUUORDSA-N	-1	0	305.338	0.326	20	30		DCEDRM
C=CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1C1(O)CCOCC1	ZINC001602730065	971404822	/nfs/dbraw/zinc/40/48/22/971404822.db2.gz	RFSSREPYPZEWPH-NSHDSACASA-N	-1	0	322.365	0.373	20	30		DCEDRM
CO[C@@H]1CCn2cc(C([O-])=C(C#N)C(=O)NC3CC3)nc2C1	ZINC001263296385	947828076	/nfs/dbraw/zinc/82/80/76/947828076.db2.gz	CZOLYWWBMUGEJP-MNOVXSKESA-N	-1	0	302.334	0.445	20	30		DCEDRM
C=CC[C@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)[O-]	ZINC001327012415	948363839	/nfs/dbraw/zinc/36/38/39/948363839.db2.gz	BYYZHMSVYPQQAR-ZETCQYMHSA-N	-1	0	304.349	0.155	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)CCCCC(N)=O	ZINC001327554728	948549023	/nfs/dbraw/zinc/54/90/23/948549023.db2.gz	CJPUSXXAPUEHDS-UHFFFAOYSA-N	-1	0	309.347	0.409	20	30		DCEDRM
CCO[C@H]1COCC[C@H]1Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001570917868	948565415	/nfs/dbraw/zinc/56/54/15/948565415.db2.gz	GTTQTEPYJLOVHN-SCZZXKLOSA-N	-1	0	316.325	0.134	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC([C@H]2COC(=O)N2)CC1	ZINC001602778067	971509605	/nfs/dbraw/zinc/50/96/05/971509605.db2.gz	AKSRFOMGXYOXLY-QMTHXVAHSA-N	-1	0	309.322	0.338	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](NC(=O)NC2CC2)C1	ZINC001602779215	971515237	/nfs/dbraw/zinc/51/52/37/971515237.db2.gz	TYKRJGQOLYBATI-HZMBPMFUSA-N	-1	0	308.338	0.053	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CC2(CO1)CCOCC2	ZINC001602780468	971518877	/nfs/dbraw/zinc/51/88/77/971518877.db2.gz	HGLLRHLWBORNTC-BXUZGUMPSA-N	-1	0	310.350	0.693	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-n2cncn2)cn1	ZINC001602782199	971528520	/nfs/dbraw/zinc/52/85/20/971528520.db2.gz	QJBKCHYAJCOVPK-ZDUSSCGKSA-N	-1	0	300.278	0.605	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)[C@]1(C(=O)[O-])CC1(C)C)C1CC1	ZINC001602782734	971530714	/nfs/dbraw/zinc/53/07/14/971530714.db2.gz	ZDOGYVQDHDYCET-LSDHHAIUSA-N	-1	0	308.334	0.839	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001602786374	971533254	/nfs/dbraw/zinc/53/32/54/971533254.db2.gz	NOZWCQSQHGYVCC-RAIGVLPGSA-N	-1	0	315.329	0.689	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)c2cccnc2C(=O)[O-])CCO1	ZINC001604484228	1169602283	/nfs/dbraw/zinc/60/22/83/1169602283.db2.gz	CHXRKQOEPVPRPF-LBPRGKRZSA-N	-1	0	311.319	0.083	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CNC(=O)c1ccccc1Cl	ZINC000092477698	949147410	/nfs/dbraw/zinc/14/74/10/949147410.db2.gz	IMHLAHDNZIBAJV-UHFFFAOYSA-N	-1	0	308.721	0.616	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@@H](c3ccncn3)C2)c(C#N)c1=O	ZINC001364538892	949520907	/nfs/dbraw/zinc/52/09/07/949520907.db2.gz	RCHAGLJIOJINSW-SNVBAGLBSA-N	-1	0	312.333	0.119	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC001602830794	971654460	/nfs/dbraw/zinc/65/44/60/971654460.db2.gz	YPMBXWXWGLRLCM-UHFFFAOYSA-N	-1	0	318.395	0.822	20	30		DCEDRM
Cn1ncc2c1nc(N=NC1CCC[S@](=O)CC1)[n-]c2=O	ZINC001330649622	950573428	/nfs/dbraw/zinc/57/34/28/950573428.db2.gz	WQISONPBSFXCLQ-NRFANRHFSA-N	-1	0	308.367	0.769	20	30		DCEDRM
C#CCCCCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001490554538	950868079	/nfs/dbraw/zinc/86/80/79/950868079.db2.gz	QNGXRFTZFIUSOH-GFCCVEGCSA-N	-1	0	305.382	0.785	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000317336631	950902570	/nfs/dbraw/zinc/90/25/70/950902570.db2.gz	CSUVAMXLWVNUGT-UHFFFAOYSA-N	-1	0	307.302	0.872	20	30		DCEDRM
CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H](C)C(=O)[O-]	ZINC001591269410	951108811	/nfs/dbraw/zinc/10/88/11/951108811.db2.gz	ZMSJKMLMABYMFZ-QMMMGPOBSA-N	-1	0	308.294	0.633	20	30		DCEDRM
C=CCCS(=O)(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-]	ZINC001332215810	951526320	/nfs/dbraw/zinc/52/63/20/951526320.db2.gz	UULRZECYXMSFRS-VIFPVBQESA-N	-1	0	307.759	0.485	20	30		DCEDRM
C=CCN1C[C@]2(CC1=O)CCCCN2S(=O)(=O)c1ncc[n-]1	ZINC001275460958	952165441	/nfs/dbraw/zinc/16/54/41/952165441.db2.gz	DJVIJGSDZBABHJ-CQSZACIVSA-N	-1	0	324.406	0.741	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-]	ZINC001326461507	952627456	/nfs/dbraw/zinc/62/74/56/952627456.db2.gz	ILPTXRYKJDIQLY-VIFPVBQESA-N	-1	0	307.759	0.485	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F	ZINC001335981265	952628239	/nfs/dbraw/zinc/62/82/39/952628239.db2.gz	JKSQUMOMSBRSLN-GXTWGEPZSA-N	-1	0	320.320	0.011	20	30		DCEDRM
CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001336230683	952664026	/nfs/dbraw/zinc/66/40/26/952664026.db2.gz	YQLWEAFTNDFHMJ-UHFFFAOYSA-N	-1	0	324.358	0.952	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC001463162473	1013113868	/nfs/dbraw/zinc/11/38/68/1013113868.db2.gz	QBONKSAVOZCBFX-UHFFFAOYSA-N	-1	0	300.274	0.621	20	30		DCEDRM
CC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CC1(C)C	ZINC001412257933	952722357	/nfs/dbraw/zinc/72/23/57/952722357.db2.gz	MJYGGBDXEKBDDF-MNOVXSKESA-N	-1	0	304.350	0.761	20	30		DCEDRM
Cc1c(F)cccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412370997	952763852	/nfs/dbraw/zinc/76/38/52/952763852.db2.gz	HCXJAVRFEMHZNO-UHFFFAOYSA-N	-1	0	316.292	0.698	20	30		DCEDRM
CSCC(C)(C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412370755	952767435	/nfs/dbraw/zinc/76/74/35/952767435.db2.gz	FYHKVSPSJCYQLN-UHFFFAOYSA-N	-1	0	310.379	0.326	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)[n-]c1=O	ZINC001412374549	952767566	/nfs/dbraw/zinc/76/75/66/952767566.db2.gz	QDSAJNRKRKOLQN-UHFFFAOYSA-N	-1	0	314.257	0.188	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC001412450777	952806582	/nfs/dbraw/zinc/80/65/82/952806582.db2.gz	CKBRBOCBFPSLCP-ZDUSSCGKSA-N	-1	0	324.340	0.794	20	30		DCEDRM
C[C@@H](c1cccnc1)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412476592	952831835	/nfs/dbraw/zinc/83/18/35/952831835.db2.gz	IADOGZDHUJSDQF-JTQLQIEISA-N	-1	0	313.317	0.435	20	30		DCEDRM
C[C@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)c1cccc(C#N)c1	ZINC001338590784	953033842	/nfs/dbraw/zinc/03/38/42/953033842.db2.gz	CMADCGRRBXMVAT-WCQYABFASA-N	-1	0	317.345	0.820	20	30		DCEDRM
C#CCN(CC#CC)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C	ZINC001339551267	953101821	/nfs/dbraw/zinc/10/18/21/953101821.db2.gz	DAITYLYGJHPWNW-UHFFFAOYSA-N	-1	0	306.329	0.917	20	30		DCEDRM
CC[C@@](NC(=O)c1[n-]c(=O)c(C#N)cc1C)(C(N)=O)C(C)C	ZINC001412803007	953102163	/nfs/dbraw/zinc/10/21/63/953102163.db2.gz	HNDPIIBNWRPQLW-HNNXBMFYSA-N	-1	0	304.350	0.987	20	30		DCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCO[C@H](C)C1	ZINC001339628109	953106826	/nfs/dbraw/zinc/10/68/26/953106826.db2.gz	PUMIWVKIICAJJG-SNVBAGLBSA-N	-1	0	304.354	0.795	20	30		DCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N(C)[C@@H]1CC[C@H]1OC	ZINC001340358832	953164203	/nfs/dbraw/zinc/16/42/03/953164203.db2.gz	MOALNEFDLBNAKR-GHMZBOCLSA-N	-1	0	318.385	0.376	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C[C@@H]1CCOC1	ZINC001342241450	953278691	/nfs/dbraw/zinc/27/86/91/953278691.db2.gz	PFYBLVGMJXEKJE-JTQLQIEISA-N	-1	0	304.354	0.161	20	30		DCEDRM
CS(=O)(=O)c1cc(C([O-])=C(C#N)C(=O)NC2CC2)cs1	ZINC001342584425	953296615	/nfs/dbraw/zinc/29/66/15/953296615.db2.gz	OYUMCGOBLGQAGN-VIFPVBQESA-N	-1	0	312.372	0.753	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)nc1	ZINC001343991246	953404558	/nfs/dbraw/zinc/40/45/58/953404558.db2.gz	QNZBKMYDMUUAIB-LLVKDONJSA-N	-1	0	318.333	0.046	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(Br)n(C)n1	ZINC001346240681	953833380	/nfs/dbraw/zinc/83/33/80/953833380.db2.gz	VMFUXTMEHMZVKV-ZETCQYMHSA-N	-1	0	311.139	0.807	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCCO[C@H](C)C1	ZINC001346517425	953908456	/nfs/dbraw/zinc/90/84/56/953908456.db2.gz	ZPSSWUDUMWQTQX-LLVKDONJSA-N	-1	0	318.381	0.693	20	30		DCEDRM
CN(C)[C@@H](CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])C(F)(F)F	ZINC001593690840	954029695	/nfs/dbraw/zinc/02/96/95/954029695.db2.gz	HZABKFDTPKUZRT-GZMMTYOYSA-N	-1	0	309.288	0.990	20	30		DCEDRM
C#Cc1ccc(C(=O)NCCNC(=O)c2[nH]nc(C)c2[O-])cc1	ZINC001348788593	954467627	/nfs/dbraw/zinc/46/76/27/954467627.db2.gz	LRUUVLUCBLZDAF-UHFFFAOYSA-N	-1	0	312.329	0.565	20	30		DCEDRM
C#CCCCCC(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001284229970	954944700	/nfs/dbraw/zinc/94/47/00/954944700.db2.gz	VVABBNMCKQOYOG-JTQLQIEISA-N	-1	0	306.366	0.852	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC000738432993	955240317	/nfs/dbraw/zinc/24/03/17/955240317.db2.gz	UITKLVRHEBBLDJ-LBPRGKRZSA-N	-1	0	309.347	0.442	20	30		DCEDRM
O=C([O-])[C@@H]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000738717074	955251102	/nfs/dbraw/zinc/25/11/02/955251102.db2.gz	JRZIDMXCPYDHFQ-YAWLZAOSSA-N	-1	0	321.333	0.226	20	30		DCEDRM
Cn1c(-c2ccc(C#N)[nH]2)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001594513575	955408412	/nfs/dbraw/zinc/40/84/12/955408412.db2.gz	WGKUJOZTOLPPCH-CQSZACIVSA-N	-1	0	300.322	0.983	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@@H](CF)C1	ZINC001351852466	955430705	/nfs/dbraw/zinc/43/07/05/955430705.db2.gz	UAJATXNGKRSQCD-JTQLQIEISA-N	-1	0	306.345	0.874	20	30		DCEDRM
Cn1cc(C#N)c(=O)n(CCOc2ccccc2C(=O)[O-])c1=O	ZINC001594525732	955499709	/nfs/dbraw/zinc/49/97/09/955499709.db2.gz	MPLYTBGPIWOOSR-UHFFFAOYSA-N	-1	0	315.285	0.196	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001285337936	955583080	/nfs/dbraw/zinc/58/30/80/955583080.db2.gz	MSAQJHLABWUNDX-VHSXEESVSA-N	-1	0	324.381	0.639	20	30		DCEDRM
Cn1cc([C@@H]2C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2)cn1	ZINC001594537849	955593040	/nfs/dbraw/zinc/59/30/40/955593040.db2.gz	MDCKHIBWKAZSII-TYNCELHUSA-N	-1	0	320.349	0.761	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)CN1C(=O)c2ccccc2S1(=O)=O	ZINC001300211215	955945084	/nfs/dbraw/zinc/94/50/84/955945084.db2.gz	RONVMGALQJJBJX-SECBINFHSA-N	-1	0	310.331	0.453	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C(C)C	ZINC001593929690	956158605	/nfs/dbraw/zinc/15/86/05/956158605.db2.gz	CNCDCRQHBGLAGL-OLZOCXBDSA-N	-1	0	300.311	0.074	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001594605794	956172141	/nfs/dbraw/zinc/17/21/41/956172141.db2.gz	IPPPUKAGSKLKAG-SNVBAGLBSA-N	-1	0	316.317	0.871	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC001594606104	956177067	/nfs/dbraw/zinc/17/70/67/956177067.db2.gz	OULFGAXZMCOVTG-LLVKDONJSA-N	-1	0	307.350	0.510	20	30		DCEDRM
N#CC[C@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C(F)(F)F	ZINC001594606156	956178481	/nfs/dbraw/zinc/17/84/81/956178481.db2.gz	PMMGOQDLLPRFFD-LAEOZQHASA-N	-1	0	321.255	0.574	20	30		DCEDRM
N#CCC1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC1	ZINC001594606594	956185326	/nfs/dbraw/zinc/18/53/26/956185326.db2.gz	WSHMVAUHFOXNLD-UHFFFAOYSA-N	-1	0	303.318	0.699	20	30		DCEDRM
N#CCOc1ccc(NC(=O)c2cn(CC(=O)[O-])nn2)cc1	ZINC001594609485	956192058	/nfs/dbraw/zinc/19/20/58/956192058.db2.gz	AONZPCCHNIOVJW-UHFFFAOYSA-N	-1	0	301.262	0.517	20	30		DCEDRM
N#CCCn1ccc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1	ZINC001594610100	956200111	/nfs/dbraw/zinc/20/01/11/956200111.db2.gz	KEQKVBTYWUAUCU-HZMBPMFUSA-N	-1	0	319.321	0.362	20	30		DCEDRM
N#Cc1ccc(Br)cc1OCC(=O)NCC(=O)[O-]	ZINC001594617336	956247382	/nfs/dbraw/zinc/24/73/82/956247382.db2.gz	HAZIBMUWLBEFNS-UHFFFAOYSA-N	-1	0	313.107	0.900	20	30		DCEDRM
N#Cc1ccc2c(c1)CCCN2C(=O)c1cn(CC(=O)[O-])nn1	ZINC001594627673	956324260	/nfs/dbraw/zinc/32/42/60/956324260.db2.gz	SPIFXRFMEOAPAT-UHFFFAOYSA-N	-1	0	311.301	0.827	20	30		DCEDRM
N#Cc1ncc(N[C@H]2CCCCN(CC(=O)[O-])C2=O)nc1C#N	ZINC001594635949	956371697	/nfs/dbraw/zinc/37/16/97/956371697.db2.gz	ZBJRJKINHMPABS-VIFPVBQESA-N	-1	0	314.305	0.098	20	30		DCEDRM
C#CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1nccs1	ZINC001355155516	956613326	/nfs/dbraw/zinc/61/33/26/956613326.db2.gz	GUMLHZITVALNAU-UHFFFAOYSA-N	-1	0	314.330	0.194	20	30		DCEDRM
C#C[C@H]1CCCN(c2nnc(-c3c[nH][nH]c3=O)n2CCOC)C1	ZINC001355519358	956667970	/nfs/dbraw/zinc/66/79/70/956667970.db2.gz	FWKPNCUXMYHQMS-NSHDSACASA-N	-1	0	316.365	0.870	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(c2snc(Cl)c2C#N)CCO1	ZINC001593985507	956769452	/nfs/dbraw/zinc/76/94/52/956769452.db2.gz	RALCUVOFXOKNJL-NSHDSACASA-N	-1	0	317.754	0.975	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)c2n[nH]c(=O)[n-]c2=O)cc1	ZINC001291849853	956917370	/nfs/dbraw/zinc/91/73/70/956917370.db2.gz	LPSJCFYBKVNCGX-UHFFFAOYSA-N	-1	0	315.289	0.451	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])cc1	ZINC001326459588	957322211	/nfs/dbraw/zinc/32/22/11/957322211.db2.gz	SPFHXEVRDKHHBD-SNVBAGLBSA-N	-1	0	304.302	0.617	20	30		DCEDRM
COCCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001594024829	957701398	/nfs/dbraw/zinc/70/13/98/957701398.db2.gz	XOZUTWGPBYKEIR-GMTAPVOTSA-N	-1	0	305.338	0.462	20	30		DCEDRM
C=CC[C@@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000150148178	957824571	/nfs/dbraw/zinc/82/45/71/957824571.db2.gz	KWGLRNVEHFBPEX-RKDXNWHRSA-N	-1	0	307.393	0.052	20	30		DCEDRM
C[C@@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC(C)(C)C	ZINC001413894433	957829179	/nfs/dbraw/zinc/82/91/79/957829179.db2.gz	OYWWNOREWFPJQH-QMMMGPOBSA-N	-1	0	308.338	0.335	20	30		DCEDRM
Cc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc2n[nH]cc21	ZINC001295863707	957837592	/nfs/dbraw/zinc/83/75/92/957837592.db2.gz	VLNCFVZGHUIAHT-UHFFFAOYSA-N	-1	0	324.300	0.644	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001588388347	957993436	/nfs/dbraw/zinc/99/34/36/957993436.db2.gz	RUUWOESCGWFQOC-LZUBYRBGSA-N	-1	0	322.361	0.694	20	30		DCEDRM
C#CCC1(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCCCC1	ZINC001588391196	958020851	/nfs/dbraw/zinc/02/08/51/958020851.db2.gz	CKYSUZZSWRJBJI-UHFFFAOYSA-N	-1	0	306.362	0.716	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CCN1CCOC[C@H]1C(=O)[O-]	ZINC000088380511	958053996	/nfs/dbraw/zinc/05/39/96/958053996.db2.gz	IBNVDRNKBBOYIV-JTQLQIEISA-N	-1	0	309.347	0.734	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCCN1C(=O)CC(C)C	ZINC001588399832	958076382	/nfs/dbraw/zinc/07/63/82/958076382.db2.gz	PMPVQJXSGMHFEZ-CYBMUJFWSA-N	-1	0	308.378	0.960	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1nc(-c2ccccn2)no1	ZINC001588401965	958085221	/nfs/dbraw/zinc/08/52/21/958085221.db2.gz	HNODZZAOFOXKPR-UHFFFAOYSA-N	-1	0	314.301	0.611	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)Cc1c(C)nn(C)c1C	ZINC001588407656	958101410	/nfs/dbraw/zinc/10/14/10/958101410.db2.gz	SYIZNOSGMBVJIN-SNVBAGLBSA-N	-1	0	306.366	0.697	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC001588408270	958106076	/nfs/dbraw/zinc/10/60/76/958106076.db2.gz	DWPXHKAGFLLBFV-HXUWFJFHSA-N	-1	0	314.285	0.027	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@]1(C)COc2ccccc2O1	ZINC001588408317	958107964	/nfs/dbraw/zinc/10/79/64/958107964.db2.gz	HHLMUIBVVTVUDP-INIZCTEOSA-N	-1	0	318.329	0.946	20	30		DCEDRM
Cc1ccc(F)cc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361589317	958111608	/nfs/dbraw/zinc/11/16/08/958111608.db2.gz	JRXWFARYKVNQSH-UHFFFAOYSA-N	-1	0	302.265	0.907	20	30		DCEDRM
Cc1cc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)ncc1C#N	ZINC001594320171	958120203	/nfs/dbraw/zinc/12/02/03/958120203.db2.gz	URUGEUCGYBNYGT-NHYWBVRUSA-N	-1	0	316.317	0.827	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1nnc2ccccn21	ZINC001588410360	958139286	/nfs/dbraw/zinc/13/92/86/958139286.db2.gz	UBXPMEJKRQNCRE-SNVBAGLBSA-N	-1	0	301.306	0.520	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(N2CCCCC2)ncn1	ZINC001588416935	958167926	/nfs/dbraw/zinc/16/79/26/958167926.db2.gz	XGGVBVYMDRSKFQ-UHFFFAOYSA-N	-1	0	302.334	0.627	20	30		DCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2cnn(CCC#N)c2C)C1=O	ZINC001297273555	958207288	/nfs/dbraw/zinc/20/72/88/958207288.db2.gz	MEVFZDMFCIPENN-AWEZNQCLSA-N	-1	0	318.337	0.471	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1noc2c1CCCC2	ZINC001588425517	958226243	/nfs/dbraw/zinc/22/62/43/958226243.db2.gz	WROXQAADEGETGY-UHFFFAOYSA-N	-1	0	312.347	0.403	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnoc2C)n1CCOC	ZINC001588426674	958230846	/nfs/dbraw/zinc/23/08/46/958230846.db2.gz	WUYBOXGPLHRTDM-UHFFFAOYSA-N	-1	0	319.321	0.412	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2COc3ccccc32)n1C	ZINC001588427064	958237924	/nfs/dbraw/zinc/23/79/24/958237924.db2.gz	LEBWVABVFPNTFC-LBPRGKRZSA-N	-1	0	312.329	0.864	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2ccccc2O)n1C	ZINC001588427443	958245647	/nfs/dbraw/zinc/24/56/47/958245647.db2.gz	XZJJYZZGRNBATK-UHFFFAOYSA-N	-1	0	300.318	0.636	20	30		DCEDRM
C#CCN1C(=O)/C(=C/c2cc(C(=O)[O-])nn2C)SC1=S	ZINC001588432407	958282370	/nfs/dbraw/zinc/28/23/70/958282370.db2.gz	QQARBFRAUGCGRV-TWGQIWQCSA-N	-1	0	307.356	0.953	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1	ZINC001588434179	958303969	/nfs/dbraw/zinc/30/39/69/958303969.db2.gz	ZMOPIOWXMPLOPY-SYQHCUMBSA-N	-1	0	320.389	0.864	20	30		DCEDRM
N#C[C@]1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC12CCCC2	ZINC001361785756	958329259	/nfs/dbraw/zinc/32/92/59/958329259.db2.gz	SGASUPYVMPEOQT-HZMBPMFUSA-N	-1	0	302.338	0.574	20	30		DCEDRM
C=C(C)CN(Cc1ccc(CO)o1)[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001588440344	958331501	/nfs/dbraw/zinc/33/15/01/958331501.db2.gz	VVOGLLDNIOQHAR-CQSZACIVSA-N	-1	0	322.361	0.836	20	30		DCEDRM
COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@@H](C)C(=O)[O-])cc1	ZINC001594094395	958389138	/nfs/dbraw/zinc/38/91/38/958389138.db2.gz	LJVSCFPJSGCKLD-BXKDBHETSA-N	-1	0	304.302	0.741	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)Nc1ccnc(C(=O)[O-])c1	ZINC001588469788	958519595	/nfs/dbraw/zinc/51/95/95/958519595.db2.gz	UHEYGRMEZXAMKE-UHFFFAOYSA-N	-1	0	313.335	0.502	20	30		DCEDRM
C=CCn1c(C(F)F)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588470174	958523265	/nfs/dbraw/zinc/52/32/65/958523265.db2.gz	GGYANLADFTYHJW-AMIZOPFISA-N	-1	0	314.292	0.939	20	30		DCEDRM
C=CCn1cc(CNC(=O)Nc2ccnc(C(=O)[O-])c2)nn1	ZINC001573337860	958525056	/nfs/dbraw/zinc/52/50/56/958525056.db2.gz	WKEYVQRCEDLXRO-UHFFFAOYSA-N	-1	0	302.294	0.879	20	30		DCEDRM
C=CCn1c(N2CCC[C@@H](C(=O)[O-])C2)nnc1[C@@](C)(O)COC	ZINC001588472601	958545078	/nfs/dbraw/zinc/54/50/78/958545078.db2.gz	PVWCCJSXAITNGA-ABAIWWIYSA-N	-1	0	324.381	0.619	20	30		DCEDRM
C=CCn1c(CCO)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588472931	958547867	/nfs/dbraw/zinc/54/78/67/958547867.db2.gz	URGCTDWGCCVPLU-NWDGAFQWSA-N	-1	0	306.366	0.546	20	30		DCEDRM
CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(C(=O)[O-])C1	ZINC001588479052	958576387	/nfs/dbraw/zinc/57/63/87/958576387.db2.gz	VBPSTPIOYCFNQO-NSHDSACASA-N	-1	0	310.350	0.836	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ncn(-c2ccccc2)n1	ZINC001588542023	958968936	/nfs/dbraw/zinc/96/89/36/958968936.db2.gz	QLCUTCDQWFZRRF-OAHLLOKOSA-N	-1	0	313.317	0.888	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CCN1CCCC1=O	ZINC001362283824	959070774	/nfs/dbraw/zinc/07/07/74/959070774.db2.gz	KIEKGDSTWLBINP-UHFFFAOYSA-N	-1	0	302.334	0.662	20	30		DCEDRM
CC[C@H]1CCC[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362287561	959075559	/nfs/dbraw/zinc/07/55/59/959075559.db2.gz	OASDYJLXBGROGA-JQWIXIFHSA-N	-1	0	304.350	0.906	20	30		DCEDRM
CC(C)(C)N1C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1=O	ZINC001588558380	959085718	/nfs/dbraw/zinc/08/57/18/959085718.db2.gz	ROIGGJSDKHFPFX-BMIGLBTASA-N	-1	0	309.366	0.754	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC(=O)NCc1ccccn1	ZINC001588558406	959085752	/nfs/dbraw/zinc/08/57/52/959085752.db2.gz	SWAQZWFDKMOWOA-HNNXBMFYSA-N	-1	0	318.333	0.209	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(C2(O)CCOCC2)CC1	ZINC001588558389	959085815	/nfs/dbraw/zinc/08/58/15/959085815.db2.gz	RVBNEQZABIHDRZ-ZDUSSCGKSA-N	-1	0	310.350	0.429	20	30		DCEDRM
CO[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H](C)C1	ZINC001362376433	959240649	/nfs/dbraw/zinc/24/06/49/959240649.db2.gz	QZQQGTULFIJMRS-JQWIXIFHSA-N	-1	0	320.349	0.237	20	30		DCEDRM
C[C@H](C(=O)[O-])N(C(=O)C(=O)Nc1cccc(C#N)n1)C1CC1	ZINC001588582983	959272608	/nfs/dbraw/zinc/27/26/08/959272608.db2.gz	PFOUEALEXZDXHB-MRVPVSSYSA-N	-1	0	302.290	0.356	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H]2CC23CCCCC3)c(=O)[n-]c1=O	ZINC001362405918	959291171	/nfs/dbraw/zinc/29/11/71/959291171.db2.gz	WTXQPRASVZEKQY-NSHDSACASA-N	-1	0	302.334	0.660	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](O)c1cnn(C)c1	ZINC001362435751	959351504	/nfs/dbraw/zinc/35/15/04/959351504.db2.gz	STQFBKHBRZVEBK-NSHDSACASA-N	-1	0	301.306	0.164	20	30		DCEDRM
C[C@]1(C#N)CCN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1	ZINC001573644471	959632251	/nfs/dbraw/zinc/63/22/51/959632251.db2.gz	ZERJXVJJSDJXAU-XHDPSFHLSA-N	-1	0	322.365	0.397	20	30		DCEDRM
CCN(C[C@@H](C)OC)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362613969	959701423	/nfs/dbraw/zinc/70/14/23/959701423.db2.gz	UICYRGHODQOEFX-SNVBAGLBSA-N	-1	0	308.338	0.094	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@H]2CCC(F)(F)C2)c(=O)[n-]c1=O	ZINC001362770641	959964060	/nfs/dbraw/zinc/96/40/60/959964060.db2.gz	ANMROJLGTSBZLI-QMMMGPOBSA-N	-1	0	312.276	0.372	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@H](O)[C@@H](CO)C2)cc1C#N	ZINC001362894923	960143262	/nfs/dbraw/zinc/14/32/62/960143262.db2.gz	XFKMBNAJYISMKX-KOLCDFICSA-N	-1	0	323.374	0.196	20	30		DCEDRM
COC[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1nnn[n-]1	ZINC001362912830	960169628	/nfs/dbraw/zinc/16/96/28/960169628.db2.gz	ZNVMZHKVCRNMPS-LBPRGKRZSA-N	-1	0	316.321	0.148	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cc(C3CC3)on2)c(=O)[n-]c1=O	ZINC001363002933	960285194	/nfs/dbraw/zinc/28/51/94/960285194.db2.gz	PQMQDYKDNRESJK-UHFFFAOYSA-N	-1	0	315.289	0.116	20	30		DCEDRM
C#Cc1ccc(C(=O)NCc2nc(CNCC#N)cc(=O)[nH]2)nc1	ZINC001316722727	960338035	/nfs/dbraw/zinc/33/80/35/960338035.db2.gz	ZVIROQBTTYDALH-UHFFFAOYSA-N	-1	0	322.328	0.102	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2nnc(C(C)(C)C)s2)c(C#N)c1=O	ZINC001363148949	960483336	/nfs/dbraw/zinc/48/33/36/960483336.db2.gz	PFMSGRZCHNPYCA-UHFFFAOYSA-N	-1	0	320.378	0.706	20	30		DCEDRM
C[C@H](O)[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccc1	ZINC001363157920	960504333	/nfs/dbraw/zinc/50/43/33/960504333.db2.gz	WNMSOXGMRJOKLW-JOYOIKCWSA-N	-1	0	300.318	0.479	20	30		DCEDRM
CCOC(=O)c1cnc(NC(=O)CNc2ccc(C#N)cn2)[n-]1	ZINC001363384397	961037157	/nfs/dbraw/zinc/03/71/57/961037157.db2.gz	NIHNVNQKZSXSNE-UHFFFAOYSA-N	-1	0	314.305	0.904	20	30		DCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC[C@H](O)C(=O)[O-]	ZINC001571091273	961100845	/nfs/dbraw/zinc/10/08/45/961100845.db2.gz	CQMIRTWZVRJJKH-LBPRGKRZSA-N	-1	0	306.318	0.667	20	30		DCEDRM
N#Cc1ccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001363449767	961179635	/nfs/dbraw/zinc/17/96/35/961179635.db2.gz	ITXUPOMULCJPPQ-UHFFFAOYSA-N	-1	0	315.314	0.070	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(c2nc[nH]n2)CC1	ZINC001363467656	961215783	/nfs/dbraw/zinc/21/57/83/961215783.db2.gz	YSDDPDCJBLPUNC-UHFFFAOYSA-N	-1	0	313.321	0.048	20	30		DCEDRM
CC(C)NC(=O)CCCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571101834	961234603	/nfs/dbraw/zinc/23/46/03/961234603.db2.gz	HQLOUYPZYYDLOV-UHFFFAOYSA-N	-1	0	309.366	0.898	20	30		DCEDRM
Cc1cnc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cc1C	ZINC001363480901	961243896	/nfs/dbraw/zinc/24/38/96/961243896.db2.gz	BQSHNJSRPNUSJL-UHFFFAOYSA-N	-1	0	313.317	0.262	20	30		DCEDRM
COc1ccc(C(=O)[O-])c(S(=O)(=O)NCC2(C#N)CC2)c1	ZINC001571106693	961287370	/nfs/dbraw/zinc/28/73/70/961287370.db2.gz	UVGAPYSVVQSSAS-UHFFFAOYSA-N	-1	0	310.331	0.975	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@H](CO)C(=O)[O-])c1Br	ZINC001571114795	961376876	/nfs/dbraw/zinc/37/68/76/961376876.db2.gz	ARSUKMUNIBACPW-MRVPVSSYSA-N	-1	0	313.107	0.496	20	30		DCEDRM
COC(C)(C)CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363536547	961387027	/nfs/dbraw/zinc/38/70/27/961387027.db2.gz	KKBLDSRXNXCJQX-UHFFFAOYSA-N	-1	0	308.338	0.142	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCN(CC(F)(F)F)C1)C(=O)[O-]	ZINC001331896803	961405941	/nfs/dbraw/zinc/40/59/41/961405941.db2.gz	SFLOJORVGAEWCR-UWVGGRQHSA-N	-1	0	324.299	0.643	20	30		DCEDRM
CSCC[C@H](NC(=O)c1ccc(C#N)n1C)c1nnn[n-]1	ZINC001363544743	961406778	/nfs/dbraw/zinc/40/67/78/961406778.db2.gz	VDNMYFXZLOZFRN-VIFPVBQESA-N	-1	0	305.367	0.634	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N(C)CCn2cnnc2)cc1C#N	ZINC001363547500	961414872	/nfs/dbraw/zinc/41/48/72/961414872.db2.gz	WJPSEBCOTONOII-UHFFFAOYSA-N	-1	0	318.362	0.744	20	30		DCEDRM
C=CCOC[C@H](NCc1c2c(nn1C)CCSC2)C(=O)[O-]	ZINC001331963748	961439184	/nfs/dbraw/zinc/43/91/84/961439184.db2.gz	RQWQMUHWRIBVKA-LBPRGKRZSA-N	-1	0	311.407	0.955	20	30		DCEDRM
CC(C)[S@](C)(=O)=NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363583419	961489472	/nfs/dbraw/zinc/48/94/72/961489472.db2.gz	UKGYHDDDFPIOJV-NRFANRHFSA-N	-1	0	312.351	0.243	20	30		DCEDRM
CCC(=O)N[C@@H](CCSC)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363641959	961609019	/nfs/dbraw/zinc/60/90/19/961609019.db2.gz	NQHCYWUNPZIROJ-QMMMGPOBSA-N	-1	0	320.378	0.739	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(Cc2nc3c(c(=O)[nH]2)COCC3)CC1	ZINC001571138584	961642319	/nfs/dbraw/zinc/64/23/19/961642319.db2.gz	BLBYZUNNNGOCPX-UHFFFAOYSA-N	-1	0	318.333	0.445	20	30		DCEDRM
N#CCc1cccc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1	ZINC001574479440	961650469	/nfs/dbraw/zinc/65/04/69/961650469.db2.gz	ICEAEVYEGZEEPE-LLVKDONJSA-N	-1	0	316.317	0.409	20	30		DCEDRM
N#Cc1ccc(CNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)nc1	ZINC001574485181	961676149	/nfs/dbraw/zinc/67/61/49/961676149.db2.gz	COINDJHPAGZVMO-YPMHNXCESA-N	-1	0	303.318	0.839	20	30		DCEDRM
C=CCN(Cc1ccc(C(=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1	ZINC001334770247	961815292	/nfs/dbraw/zinc/81/52/92/961815292.db2.gz	DMTVYXWJKJYBEC-CYBMUJFWSA-N	-1	0	310.375	0.955	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H]2CCC3(CCOCC3)O2)c(C#N)c1=O	ZINC001363765697	961836620	/nfs/dbraw/zinc/83/66/20/961836620.db2.gz	YAOBBXPCNNVDTB-SNVBAGLBSA-N	-1	0	320.349	0.085	20	30		DCEDRM
CCN1CCC[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1=O	ZINC001571155848	961862690	/nfs/dbraw/zinc/86/26/90/961862690.db2.gz	GFZSWDIVGHIVBN-LLVKDONJSA-N	-1	0	322.365	0.397	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)Nc2cnc(C(N)=O)s2)CC1	ZINC001571159009	961901137	/nfs/dbraw/zinc/90/11/37/961901137.db2.gz	WOIFOLHPONJKDI-UHFFFAOYSA-N	-1	0	323.334	0.464	20	30		DCEDRM
CN(CC(F)(F)F)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364016102	962299455	/nfs/dbraw/zinc/29/94/55/962299455.db2.gz	WUWSMSFYAVRWMR-UHFFFAOYSA-N	-1	0	319.243	0.024	20	30		DCEDRM
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001364094967	962457917	/nfs/dbraw/zinc/45/79/17/962457917.db2.gz	NWFYYVNJIPKGOZ-PKZYVASSSA-N	-1	0	302.334	0.229	20	30		DCEDRM
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001364094963	962459083	/nfs/dbraw/zinc/45/90/83/962459083.db2.gz	NWFYYVNJIPKGOZ-LLHIFLOGSA-N	-1	0	302.334	0.229	20	30		DCEDRM
C#CCN(C(=O)[C@H](C)CC)C1CCN(C(=O)CNC(=O)[O-])CC1	ZINC001573302216	962646530	/nfs/dbraw/zinc/64/65/30/962646530.db2.gz	RYQRUAHSKCAEJK-GFCCVEGCSA-N	-1	0	323.393	0.753	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)c1cnn(CCC#N)c1C	ZINC001574156537	962678938	/nfs/dbraw/zinc/67/89/38/962678938.db2.gz	LJVDOEZYDSIHRM-UHFFFAOYSA-N	-1	0	308.338	0.669	20	30		DCEDRM
C#CCCCCC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573303757	962681454	/nfs/dbraw/zinc/68/14/54/962681454.db2.gz	RXFUFGNEKFQBOD-NEPJUHHUSA-N	-1	0	306.362	0.666	20	30		DCEDRM
C=C(Br)C[NH2+][C@H]1C[C@H](C)N(C(=O)CNC(=O)[O-])C1	ZINC001573313192	962728313	/nfs/dbraw/zinc/72/83/13/962728313.db2.gz	FNHHLEHALYDCJM-IUCAKERBSA-N	-1	0	320.187	0.742	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1csnc1OC)C(=O)[O-]	ZINC001573323753	962776123	/nfs/dbraw/zinc/77/61/23/962776123.db2.gz	HBXJWMFBCYIICT-ZETCQYMHSA-N	-1	0	306.365	0.849	20	30		DCEDRM
C=C(Cl)CN1CC(CCO)(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573338751	962879303	/nfs/dbraw/zinc/87/93/03/962879303.db2.gz	HNHOZDIJWJZVBR-ZJUUUORDSA-N	-1	0	302.758	0.013	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)NC/C=C\Cl)C2)c(=O)[n-]c1=O	ZINC001364345838	962934401	/nfs/dbraw/zinc/93/44/01/962934401.db2.gz	JILKBRDZTKZAEZ-UPHRSURJSA-N	-1	0	309.713	0.139	20	30		DCEDRM
C=CCCn1cc(CNS(=O)(=O)CC(C)(C)C(=O)[O-])nn1	ZINC001573360436	963038478	/nfs/dbraw/zinc/03/84/78/963038478.db2.gz	OVAQOTCXQOWGJR-UHFFFAOYSA-N	-1	0	316.383	0.384	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)C(=O)OC	ZINC001573365936	963056364	/nfs/dbraw/zinc/05/63/64/963056364.db2.gz	IZPTUQQXKFSNPY-JTQLQIEISA-N	-1	0	319.379	0.669	20	30		DCEDRM
C[C@@](CO)(NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000313503821	963650310	/nfs/dbraw/zinc/65/03/10/963650310.db2.gz	JLBZRLGYHWSKFO-NSHDSACASA-N	-1	0	318.738	0.326	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001588435783	964027038	/nfs/dbraw/zinc/02/70/38/964027038.db2.gz	ZETCJIWYAHORAN-SNVBAGLBSA-N	-1	0	315.322	0.577	20	30		DCEDRM
C=C(Br)Cn1nnnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588439224	964027999	/nfs/dbraw/zinc/02/79/99/964027999.db2.gz	KLHMURUDROXNAJ-SSDOTTSWSA-N	-1	0	302.132	0.493	20	30		DCEDRM
C#CCCCNC(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl	ZINC001588446464	964074180	/nfs/dbraw/zinc/07/41/80/964074180.db2.gz	MRNZGZONXFYXOZ-UHFFFAOYSA-N	-1	0	309.709	0.901	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@H](C)C#N)c1[O-]	ZINC001371640872	967193450	/nfs/dbraw/zinc/19/34/50/967193450.db2.gz	YNTONUXJYZTGIA-SCZZXKLOSA-N	-1	0	305.338	0.256	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H](C)C#N)c1[O-]	ZINC001371640873	967194399	/nfs/dbraw/zinc/19/43/99/967194399.db2.gz	YNTONUXJYZTGIA-WCBMZHEXSA-N	-1	0	305.338	0.256	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000316362300	967978347	/nfs/dbraw/zinc/97/83/47/967978347.db2.gz	KMJGEXUBLJNYGS-UHFFFAOYSA-N	-1	0	305.290	0.867	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC(CO)(c2ccccc2)C1	ZINC001609691479	970449681	/nfs/dbraw/zinc/44/96/81/970449681.db2.gz	RUEYMVOPCVNGHC-HNNXBMFYSA-N	-1	0	302.330	0.763	20	30		DCEDRM
CC(C)CN1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H](C)C1=O	ZINC001609805896	970537719	/nfs/dbraw/zinc/53/77/19/970537719.db2.gz	XNMHDMAGVBJZAN-NHYWBVRUSA-N	-1	0	309.366	0.706	20	30		DCEDRM
COC(=O)c1csc(COC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001604411170	973169797	/nfs/dbraw/zinc/16/97/97/973169797.db2.gz	RQOPAVRURMIECX-LBPRGKRZSA-N	-1	0	312.303	0.977	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CC(Nc2cccc(C#N)c2)C1	ZINC001604450367	973275046	/nfs/dbraw/zinc/27/50/46/973275046.db2.gz	HBJGUEOGGDQGDM-HNNXBMFYSA-N	-1	0	303.318	0.671	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2ccn3ccnc3c2)c(=O)[n-]c1=O	ZINC001448965576	1014111067	/nfs/dbraw/zinc/11/10/67/1014111067.db2.gz	RXXKOJGXQCLZOZ-UHFFFAOYSA-N	-1	0	324.300	0.497	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001605454584	973538039	/nfs/dbraw/zinc/53/80/39/973538039.db2.gz	FCRCJARSTBDLIS-LBPRGKRZSA-N	-1	0	319.317	0.655	20	30		DCEDRM
Cc1nsc(N2CCN(C(=O)[C@@H](C)C(=O)[O-])CC2)c1C#N	ZINC001605455496	973546366	/nfs/dbraw/zinc/54/63/66/973546366.db2.gz	XSOWRTVCEHVHMD-MRVPVSSYSA-N	-1	0	308.363	0.693	20	30		DCEDRM
Cn1c(C#N)ccc1-c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C	ZINC001605467721	973578872	/nfs/dbraw/zinc/57/88/72/973578872.db2.gz	TXMBIARBKRRJGA-VIFPVBQESA-N	-1	0	300.322	0.603	20	30		DCEDRM
CCC(CC)(NC(=O)CNc1ccc(C#N)cn1)c1nnn[n-]1	ZINC001449016127	1014134894	/nfs/dbraw/zinc/13/48/94/1014134894.db2.gz	PKMAJXLVPVZZOK-UHFFFAOYSA-N	-1	0	314.353	0.710	20	30		DCEDRM
N#CC[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	ZINC001605581644	973860135	/nfs/dbraw/zinc/86/01/35/973860135.db2.gz	FXUKVFHKWSPFEH-QWRGUYRKSA-N	-1	0	301.368	0.406	20	30		DCEDRM
N#C[C@]12CN(Cc3ccc(C(=O)[O-])cc3)C[C@@H]1CS(=O)(=O)C2	ZINC001605590808	973884551	/nfs/dbraw/zinc/88/45/51/973884551.db2.gz	MUWPDGSLSXRIPJ-UKRRQHHQSA-N	-1	0	320.370	0.755	20	30		DCEDRM
C[C@H](/C=C\C(=O)[O-])NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC001592200338	977195307	/nfs/dbraw/zinc/19/53/07/977195307.db2.gz	GTHUTMFPVXDBDR-RQVRIRCRSA-N	-1	0	301.302	0.434	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)c1occc1C(=O)[O-]	ZINC000723213606	978174606	/nfs/dbraw/zinc/17/46/06/978174606.db2.gz	SOXSMPKLOGAPSH-UHFFFAOYSA-N	-1	0	301.320	0.638	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)c1occc1C(=O)[O-]	ZINC000723242985	978178630	/nfs/dbraw/zinc/17/86/30/978178630.db2.gz	FQUGJBDCMFVBDV-UHFFFAOYSA-N	-1	0	302.308	0.529	20	30		DCEDRM
CC[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC001595134034	979563554	/nfs/dbraw/zinc/56/35/54/979563554.db2.gz	PWQFXISIZIICSL-QMMMGPOBSA-N	-1	0	307.281	0.863	20	30		DCEDRM
C[C@@H](Cc1ccc(NC(=O)NCC(=O)NCC#N)cc1)C(=O)[O-]	ZINC001592865596	979707043	/nfs/dbraw/zinc/70/70/43/979707043.db2.gz	DLLQMIFOFZUYPX-JTQLQIEISA-N	-1	0	318.333	0.711	20	30		DCEDRM
C[C@@H](NC(=O)CSCC#N)[C@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001593036044	980311847	/nfs/dbraw/zinc/31/18/47/980311847.db2.gz	FAMFHPRLNXUKPP-DTWKUNHWSA-N	-1	0	323.378	0.159	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NCCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001523412345	1014697582	/nfs/dbraw/zinc/69/75/82/1014697582.db2.gz	NBOCESXBTYVKPR-LLVKDONJSA-N	-1	0	322.365	0.040	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC(F)F)cn1	ZINC001523876228	1014789910	/nfs/dbraw/zinc/78/99/10/1014789910.db2.gz	XSQUQVYEVHQKAI-VIFPVBQESA-N	-1	0	313.260	0.768	20	30		DCEDRM
Cn1cc(S(=O)(=O)N2CCO[C@@](C)(C#N)C2)cc1C(=O)[O-]	ZINC001574220823	983196881	/nfs/dbraw/zinc/19/68/81/983196881.db2.gz	ROGSKBMJUKFEKG-LBPRGKRZSA-N	-1	0	313.335	0.026	20	30		DCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C	ZINC001588368030	983303829	/nfs/dbraw/zinc/30/38/29/983303829.db2.gz	FQFDQLFHMXXXDF-VIFPVBQESA-N	-1	0	303.318	0.527	20	30		DCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC001588368227	983304650	/nfs/dbraw/zinc/30/46/50/983304650.db2.gz	INBPQECLPVVYRQ-VIFPVBQESA-N	-1	0	304.302	0.608	20	30		DCEDRM
C#C[C@H](NC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1)C(C)(C)C	ZINC001588372333	983329781	/nfs/dbraw/zinc/32/97/81/983329781.db2.gz	IHTCBDDLESZSBA-JQWIXIFHSA-N	-1	0	319.365	0.981	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1)C(C)(C)C	ZINC001588372332	983330043	/nfs/dbraw/zinc/33/00/43/983330043.db2.gz	IHTCBDDLESZSBA-CMPLNLGQSA-N	-1	0	319.365	0.981	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2C)C1	ZINC001588375648	983346613	/nfs/dbraw/zinc/34/66/13/983346613.db2.gz	DUABXQOXUVMWJS-UHFFFAOYSA-N	-1	0	304.277	0.815	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1scnc1C(=O)[O-])[C@H]1CCCO1	ZINC001588376534	983351810	/nfs/dbraw/zinc/35/18/10/983351810.db2.gz	UZOHAXXAWQRYMD-JGVFFNPUSA-N	-1	0	316.360	0.300	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001588382386	983370930	/nfs/dbraw/zinc/37/09/30/983370930.db2.gz	OGEKOIDWCSICDI-BLLLJJGKSA-N	-1	0	306.362	0.714	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC001588383615	983382795	/nfs/dbraw/zinc/38/27/95/983382795.db2.gz	FUPVAZAFSZUYBO-UJZCVKTISA-N	-1	0	321.354	0.807	20	30		DCEDRM
C#CC[C@H](COC)NS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001588393407	983397637	/nfs/dbraw/zinc/39/76/37/983397637.db2.gz	BIAQKFNITJZPCI-GFCCVEGCSA-N	-1	0	311.359	0.630	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC001588394241	983402407	/nfs/dbraw/zinc/40/24/07/983402407.db2.gz	NFJRVLNYCOYDHK-SNVBAGLBSA-N	-1	0	322.317	0.908	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001588394693	983403476	/nfs/dbraw/zinc/40/34/76/983403476.db2.gz	NKAVKKDEYHGXGU-MNOVXSKESA-N	-1	0	300.380	0.484	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O)C(=O)[O-]	ZINC001588406173	983424570	/nfs/dbraw/zinc/42/45/70/983424570.db2.gz	NCJULEIXAGYTNT-IUCAKERBSA-N	-1	0	320.267	0.380	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@H]1C(=O)Nc2ccc(F)cc21)C(=O)[O-]	ZINC001588407303	983427956	/nfs/dbraw/zinc/42/79/56/983427956.db2.gz	YJRHFJNKRYQPHU-PWSUYJOCSA-N	-1	0	304.277	0.844	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cnn(CC(OCC)OCC)c1)C(=O)[O-]	ZINC001588422173	983444750	/nfs/dbraw/zinc/44/47/50/983444750.db2.gz	SKUMVLAQNBRDEJ-LBPRGKRZSA-N	-1	0	323.349	0.489	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588434779	983472427	/nfs/dbraw/zinc/47/24/27/983472427.db2.gz	STJLTFGSAWUBAA-QWRGUYRKSA-N	-1	0	320.349	0.490	20	30		DCEDRM
C#CCN(C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)C1CC1	ZINC001588459632	983485480	/nfs/dbraw/zinc/48/54/80/983485480.db2.gz	FPBGSBKFDDDGMD-UHFFFAOYSA-N	-1	0	318.333	0.266	20	30		DCEDRM
C#CCN(C)C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001588461568	983490516	/nfs/dbraw/zinc/49/05/16/983490516.db2.gz	UADFSGSCJOCMQD-JTQLQIEISA-N	-1	0	321.358	0.826	20	30		DCEDRM
C#CCNC(=O)COc1c(C(=O)[O-])cncc1C(F)(F)F	ZINC001588484237	983523749	/nfs/dbraw/zinc/52/37/49/983523749.db2.gz	WKXZGEAIRHFRTI-UHFFFAOYSA-N	-1	0	302.208	0.927	20	30		DCEDRM
C#CCOCCNC(=O)NCc1ccc(C(=O)[O-])c(OC)c1	ZINC001588491174	983535554	/nfs/dbraw/zinc/53/55/54/983535554.db2.gz	GSNPMSVXTCXRDA-UHFFFAOYSA-N	-1	0	306.318	0.842	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])n1	ZINC001588511454	983559533	/nfs/dbraw/zinc/55/95/33/983559533.db2.gz	XKLFBWHWYCYVRD-KGLIPLIRSA-N	-1	0	319.361	0.602	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c1	ZINC001588523594	983572768	/nfs/dbraw/zinc/57/27/68/983572768.db2.gz	PRCIOMZMKKJIPR-NSHDSACASA-N	-1	0	322.267	0.927	20	30		DCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC001588537559	983600791	/nfs/dbraw/zinc/60/07/91/983600791.db2.gz	RYUSHFYJHIAHBR-MOENNCHZSA-N	-1	0	305.396	0.876	20	30		DCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588563499	983645640	/nfs/dbraw/zinc/64/56/40/983645640.db2.gz	XNJLTGBCORATBY-OAHLLOKOSA-N	-1	0	323.349	0.243	20	30		DCEDRM
C=C(C)Cn1c([C@@H](O)CC)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC001588591119	983671678	/nfs/dbraw/zinc/67/16/78/983671678.db2.gz	FUVLWPLYMTYXTR-GRYCIOLGSA-N	-1	0	324.381	0.976	20	30		DCEDRM
C=C(C)Cn1c(C[C@@H](C)O)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588598345	983683408	/nfs/dbraw/zinc/68/34/08/983683408.db2.gz	ZOOXHUQIUSAPGV-WOPDTQHZSA-N	-1	0	324.381	0.456	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1	ZINC001588612601	983703376	/nfs/dbraw/zinc/70/33/76/983703376.db2.gz	SYXIPEXQQUKHTL-NSHDSACASA-N	-1	0	319.379	0.070	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC2(C1)CC(=O)Nc1nccn12	ZINC001588613845	983705286	/nfs/dbraw/zinc/70/52/86/983705286.db2.gz	FTNOJQGZSKKJGA-UHFFFAOYSA-N	-1	0	304.306	0.184	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(N(C)S(C)(=O)=O)CC1	ZINC001588614456	983707558	/nfs/dbraw/zinc/70/75/58/983707558.db2.gz	VWALDACKCMOIQC-UHFFFAOYSA-N	-1	0	318.395	0.290	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(N2CCNC(=O)C2)nc1	ZINC001588629511	983737873	/nfs/dbraw/zinc/73/78/73/983737873.db2.gz	LPIPHEUZFVDRLR-UHFFFAOYSA-N	-1	0	318.333	0.377	20	30		DCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588644348	983769529	/nfs/dbraw/zinc/76/95/29/983769529.db2.gz	QWKWQWMGFBPYKX-BFQNTYOBSA-N	-1	0	322.361	0.398	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNc1ncc(C(=O)[O-])cn1	ZINC001588683727	983850833	/nfs/dbraw/zinc/85/08/33/983850833.db2.gz	CSLUFOHGWKWKCA-ZUZCIYMTSA-N	-1	0	322.365	0.809	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CCC(C(=O)[O-])CC2)n1CCOC	ZINC001588704549	983924037	/nfs/dbraw/zinc/92/40/37/983924037.db2.gz	GBQSUTCMXXVIJW-NSHDSACASA-N	-1	0	310.354	0.445	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001588743697	984039316	/nfs/dbraw/zinc/03/93/16/984039316.db2.gz	BROUYTYAEFXCSM-VIFPVBQESA-N	-1	0	310.281	0.516	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588778224	984159965	/nfs/dbraw/zinc/15/99/65/984159965.db2.gz	YHLTVLYWCMFMGH-ZDUSSCGKSA-N	-1	0	320.345	0.696	20	30		DCEDRM
C=CCCC[C@H](NC(=O)Cc1ccc(C(N)=O)nc1)C(=O)[O-]	ZINC001588788658	984191596	/nfs/dbraw/zinc/19/15/96/984191596.db2.gz	JHSDKYFSUOVHEK-LBPRGKRZSA-N	-1	0	305.334	0.649	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-]	ZINC001588789794	984200825	/nfs/dbraw/zinc/20/08/25/984200825.db2.gz	JVSIXPYYWCVPLL-QWRGUYRKSA-N	-1	0	318.395	0.336	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1cc2n(n1)C[C@H](C)NC2)C(=O)[O-]	ZINC001588793285	984217695	/nfs/dbraw/zinc/21/76/95/984217695.db2.gz	VOYMJEKIVWNQDV-CMPLNLGQSA-N	-1	0	306.366	0.914	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)[O-]	ZINC001588798042	984232702	/nfs/dbraw/zinc/23/27/02/984232702.db2.gz	RUJDECDCIHNEOJ-JTQLQIEISA-N	-1	0	303.322	0.972	20	30		DCEDRM
C=CCCCCn1nnnc1N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588802656	984249897	/nfs/dbraw/zinc/24/98/97/984249897.db2.gz	RZFUVPOBPPVWRC-LBPRGKRZSA-N	-1	0	309.370	0.691	20	30		DCEDRM
C=CCCCCNC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001588802602	984250280	/nfs/dbraw/zinc/25/02/80/984250280.db2.gz	QUCZKTMFWPHGFG-UHFFFAOYSA-N	-1	0	308.338	0.687	20	30		DCEDRM
C=CCCSCCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC001588814905	984274231	/nfs/dbraw/zinc/27/42/31/984274231.db2.gz	XVUXAAHANFKRDP-LLVKDONJSA-N	-1	0	314.407	0.878	20	30		DCEDRM
C=CCN(C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)[C@H](C)COC	ZINC001588819687	984278740	/nfs/dbraw/zinc/27/87/40/984278740.db2.gz	AGCDLRSWMHCMOP-SECBINFHSA-N	-1	0	324.337	0.106	20	30		DCEDRM
C=CCCn1cc(Cn2nc(C(=O)[O-])cc2C(=O)OC)nn1	ZINC001588820024	984280901	/nfs/dbraw/zinc/28/09/01/984280901.db2.gz	NCSSMMGUELSZQG-UHFFFAOYSA-N	-1	0	305.294	0.584	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1=O	ZINC001588836802	984330211	/nfs/dbraw/zinc/33/02/11/984330211.db2.gz	IKKXGFVDZRFTCO-NSHDSACASA-N	-1	0	320.349	0.974	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)n1cc(CN2CCCC[C@@H]2C(=O)[O-])nn1	ZINC001588838278	984336189	/nfs/dbraw/zinc/33/61/89/984336189.db2.gz	CYJNFWHNTBQIRF-DGCLKSJQSA-N	-1	0	321.381	0.580	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2cncc(C(=O)[O-])c2)C1=O	ZINC001588840116	984352780	/nfs/dbraw/zinc/35/27/80/984352780.db2.gz	ZTFAMMQXSHRGBC-GFCCVEGCSA-N	-1	0	303.318	0.639	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])n1C	ZINC001588844083	984356121	/nfs/dbraw/zinc/35/61/21/984356121.db2.gz	PKMVLRDHFNXXHN-QMMMGPOBSA-N	-1	0	323.305	0.280	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C[C@H]1C	ZINC001588849925	984376831	/nfs/dbraw/zinc/37/68/31/984376831.db2.gz	PJBHOOZSQUUFTF-MNOVXSKESA-N	-1	0	320.349	0.201	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588850907	984381016	/nfs/dbraw/zinc/38/10/16/984381016.db2.gz	KAWKCXFFVSLQDT-LPWJVIDDSA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001588850891	984381474	/nfs/dbraw/zinc/38/14/74/984381474.db2.gz	JLWRRCHWPOXGAM-XYPYZODXSA-N	-1	0	306.322	0.437	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CC(c2ccccn2)=NO1)C(=O)[O-]	ZINC001588856016	984396465	/nfs/dbraw/zinc/39/64/65/984396465.db2.gz	UIDIAHVRPWAHJX-QWHCGFSZSA-N	-1	0	319.317	0.347	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1c(C)noc1Cl)C(=O)[O-]	ZINC001588856549	984400930	/nfs/dbraw/zinc/40/09/30/984400930.db2.gz	MEEAFMGLOWSLGI-SECBINFHSA-N	-1	0	302.714	0.951	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CS(=O)(=O)C1CCCC1)C(=O)[O-]	ZINC001588857170	984403005	/nfs/dbraw/zinc/40/30/05/984403005.db2.gz	VMSWCIPOROGFLG-LLVKDONJSA-N	-1	0	319.379	0.116	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc2n(n1)CCC[C@@H]2O)C(=O)[O-]	ZINC001588859566	984406622	/nfs/dbraw/zinc/40/66/22/984406622.db2.gz	QBXZWLKKNANOHX-JQWIXIFHSA-N	-1	0	309.322	0.096	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)C(=O)OC	ZINC001588859643	984406865	/nfs/dbraw/zinc/40/68/65/984406865.db2.gz	RXNAIOWUGINUED-MRVPVSSYSA-N	-1	0	313.331	0.920	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cncc(-n2ccnn2)c1)C(=O)[O-]	ZINC001588860295	984412179	/nfs/dbraw/zinc/41/21/79/984412179.db2.gz	PPUURXKAFNJTEW-GFCCVEGCSA-N	-1	0	317.305	0.048	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc2oc(=O)[nH]c21)C(=O)[O-]	ZINC001588861576	984415513	/nfs/dbraw/zinc/41/55/13/984415513.db2.gz	IEIGLNURCDBBLO-SECBINFHSA-N	-1	0	306.274	0.919	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)[O-]	ZINC001588861684	984415936	/nfs/dbraw/zinc/41/59/36/984415936.db2.gz	JQNRPGSYQARGEA-VIFPVBQESA-N	-1	0	309.278	0.563	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc(CC(=O)OC)c1)C(=O)[O-]	ZINC001588862495	984419015	/nfs/dbraw/zinc/41/90/15/984419015.db2.gz	ZILFOAGVDNSTLP-ZDUSSCGKSA-N	-1	0	321.329	0.788	20	30		DCEDRM
C=CCOC[C@@H](NCc1ncc(C(=O)[O-])s1)C(=O)OC	ZINC001588866001	984421934	/nfs/dbraw/zinc/42/19/34/984421934.db2.gz	GWCISANUXZEHDI-MRVPVSSYSA-N	-1	0	300.336	0.675	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)C1(COC)CCC1)C(=O)[O-]	ZINC001588866024	984422013	/nfs/dbraw/zinc/42/20/13/984422013.db2.gz	HCEWHLOXYMLLSY-JTQLQIEISA-N	-1	0	307.368	0.131	20	30		DCEDRM
C=CCOC[C@H](NCc1cn(Cc2cccnc2)nn1)C(=O)[O-]	ZINC001588866268	984424134	/nfs/dbraw/zinc/42/41/34/984424134.db2.gz	KXQOKFZWMHPKFW-AWEZNQCLSA-N	-1	0	317.349	0.467	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-]	ZINC001588866852	984428352	/nfs/dbraw/zinc/42/83/52/984428352.db2.gz	ROHWHRCDIIDCTK-SSDOTTSWSA-N	-1	0	323.758	0.008	20	30		DCEDRM
C=CCOCCNS(=O)(=O)c1cc(OC)ccc1C(=O)[O-]	ZINC001588868569	984433753	/nfs/dbraw/zinc/43/37/53/984433753.db2.gz	KWBTZISLCKMLGR-UHFFFAOYSA-N	-1	0	315.347	0.874	20	30		DCEDRM
C=CCSCCn1nnnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588879524	984457812	/nfs/dbraw/zinc/45/78/12/984457812.db2.gz	CZEHYRYLWAOOON-ZJUUUORDSA-N	-1	0	313.383	0.271	20	30		DCEDRM
C=CCn1c([C@H](CC)CO)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588896572	984502588	/nfs/dbraw/zinc/50/25/88/984502588.db2.gz	SHKXUIWQMISQCU-NEPJUHHUSA-N	-1	0	324.381	0.630	20	30		DCEDRM
C=CCn1c([C@H]2COCCN2C)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588896621	984503030	/nfs/dbraw/zinc/50/30/30/984503030.db2.gz	COFYHHAHPRYIOC-VXGBXAGGSA-N	-1	0	321.381	0.378	20	30		DCEDRM
C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588897854	984513967	/nfs/dbraw/zinc/51/39/67/984513967.db2.gz	VWEGROLBQRHEAI-YMTOWFKASA-N	-1	0	323.328	0.418	20	30		DCEDRM
C=CCn1c(CCC)nnc1N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588897919	984514485	/nfs/dbraw/zinc/51/44/85/984514485.db2.gz	PGIGQSCATCXMFA-MNOVXSKESA-N	-1	0	322.365	0.727	20	30		DCEDRM
C=CCn1c(N2CCO[C@@H](CC(=O)[O-])C2)nnc1C1(O)CC1	ZINC001588904797	984532373	/nfs/dbraw/zinc/53/23/73/984532373.db2.gz	CQFOLRCXXUYNRY-JTQLQIEISA-N	-1	0	308.338	0.125	20	30		DCEDRM
C=C[C@H](CO)NC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1	ZINC001588920198	984576350	/nfs/dbraw/zinc/57/63/50/984576350.db2.gz	WTDWPOYPQLCSFB-SNVBAGLBSA-N	-1	0	304.306	0.789	20	30		DCEDRM
CC#CCCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC001588926892	984594485	/nfs/dbraw/zinc/59/44/85/984594485.db2.gz	BKSWYPLNGMAPJV-UHFFFAOYSA-N	-1	0	306.293	0.921	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001524985223	1015083359	/nfs/dbraw/zinc/08/33/59/1015083359.db2.gz	NPDURJOVZNVHMT-AYGWYOGXSA-N	-1	0	303.318	0.363	20	30		DCEDRM
C[C@H]1CN(C(=O)CNc2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599916360	985062063	/nfs/dbraw/zinc/06/20/63/985062063.db2.gz	AIBWDRGLQFKFGM-GWCFXTLKSA-N	-1	0	303.318	0.671	20	30		DCEDRM
CCO[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)[C@H]1CCOC1	ZINC001596760356	985138183	/nfs/dbraw/zinc/13/81/83/985138183.db2.gz	BFEVRDQDHYQLHU-NWDGAFQWSA-N	-1	0	310.350	0.645	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CF)C(=O)[O-]	ZINC001599940327	985446319	/nfs/dbraw/zinc/44/63/19/985446319.db2.gz	GHHKYNNZHWYRHB-LLVKDONJSA-N	-1	0	309.297	0.747	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001384948997	985975618	/nfs/dbraw/zinc/97/56/18/985975618.db2.gz	SGINRXAYPFITOC-UJNFCWOMSA-N	-1	0	305.338	0.208	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001599973336	986046357	/nfs/dbraw/zinc/04/63/57/986046357.db2.gz	NZZOCBVXPBVCBT-CYBMUJFWSA-N	-1	0	315.329	0.672	20	30		DCEDRM
CC(C)[C@H](CNC(=O)[C@@H](C)C#N)Nc1ncc(C(=O)[O-])cn1	ZINC001589329183	986162082	/nfs/dbraw/zinc/16/20/82/986162082.db2.gz	LALUILVOENZBKZ-ONGXEEELSA-N	-1	0	305.338	0.887	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@H](Nc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001589329173	986162598	/nfs/dbraw/zinc/16/25/98/986162598.db2.gz	KTYGQLSPFZKVHN-WPRPVWTQSA-N	-1	0	303.322	0.063	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001589329778	986165857	/nfs/dbraw/zinc/16/58/57/986165857.db2.gz	SFVUTEXPUPLVAP-XPTSAGLGSA-N	-1	0	303.322	0.419	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H](CNc1ncc(C(=O)[O-])cn1)C1CC1	ZINC001589329900	986168114	/nfs/dbraw/zinc/16/81/14/986168114.db2.gz	VQQKNZQZMITIAV-GZMMTYOYSA-N	-1	0	303.322	0.641	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)Nc1ccnc(C(=O)[O-])n1	ZINC001589330054	986169116	/nfs/dbraw/zinc/16/91/16/986169116.db2.gz	XDHQSLGSINLVLQ-VHSXEESVSA-N	-1	0	305.338	0.309	20	30		DCEDRM
C[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)[C@H](C)S(C)(=O)=O	ZINC001589345690	986280437	/nfs/dbraw/zinc/28/04/37/986280437.db2.gz	FQFLZJBLCPPYTE-UWVGGRQHSA-N	-1	0	316.379	0.273	20	30		DCEDRM
CCc1[nH]c(C(=O)OCC(=O)NCCC#N)c(C)c1C(=O)[O-]	ZINC001597379127	987569391	/nfs/dbraw/zinc/56/93/91/987569391.db2.gz	WKFRBJVREZNVGH-UHFFFAOYSA-N	-1	0	307.306	0.770	20	30		DCEDRM
CSCCNC(=S)NN=Cc1cc(C(=O)[O-])n(C)c1	ZINC001599800819	988173313	/nfs/dbraw/zinc/17/33/13/988173313.db2.gz	JUSCQPSPOPJFRH-UHFFFAOYSA-N	-1	0	300.409	0.884	20	30		DCEDRM
CN(C(=O)COC(=O)c1ccc(C(=O)[O-])cn1)C(C)(C)C#N	ZINC001598029860	990248826	/nfs/dbraw/zinc/24/88/26/990248826.db2.gz	YFEPMHHHCSVZQZ-UHFFFAOYSA-N	-1	0	305.290	0.697	20	30		DCEDRM
CCCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001391265338	990709082	/nfs/dbraw/zinc/70/90/82/990709082.db2.gz	QMCAVBKJGWVTML-GHMZBOCLSA-N	-1	0	306.370	0.483	20	30		DCEDRM
CC(C)(NS(=O)(=O)c1cccc(CC#N)c1)[C@@H](O)C(=O)[O-]	ZINC001590879872	990796198	/nfs/dbraw/zinc/79/61/98/990796198.db2.gz	SRJGSGJZEHVSMT-NSHDSACASA-N	-1	0	312.347	0.255	20	30		DCEDRM
CN(C)C[C@](C)(C#N)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001598199287	990806996	/nfs/dbraw/zinc/80/69/96/990806996.db2.gz	FNLQTKJAERKGHT-AWEZNQCLSA-N	-1	0	320.305	0.867	20	30		DCEDRM
CC(C)C#CC(=O)N1C[C@H](Nc2ccnc(C(=O)[O-])n2)C[C@@H]1C	ZINC001590927124	990930586	/nfs/dbraw/zinc/93/05/86/990930586.db2.gz	SEGQQERUNAKIFD-NWDGAFQWSA-N	-1	0	316.361	0.657	20	30		DCEDRM
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001598436940	991835381	/nfs/dbraw/zinc/83/53/81/991835381.db2.gz	LCRWQGZSFXSHLI-MJBXVCDLSA-N	-1	0	318.329	0.682	20	30		DCEDRM
CN(C[C@@H]1CCS(=O)(=O)C1)c1ccc(C(=O)[O-])nc1C#N	ZINC001598462145	991961983	/nfs/dbraw/zinc/96/19/83/991961983.db2.gz	NZGXKBUVXLJLDS-VIFPVBQESA-N	-1	0	309.347	0.522	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)COc1cccc(C#N)c1	ZINC001598692343	995084920	/nfs/dbraw/zinc/08/49/20/995084920.db2.gz	FYCZUQIZDZTZTO-LLVKDONJSA-N	-1	0	306.274	0.070	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCc1ccc(CNCc2n[nH]c(=O)[n-]2)cc1	ZINC001401062165	995145859	/nfs/dbraw/zinc/14/58/59/995145859.db2.gz	DNPXFGNCCCFQNX-JTQLQIEISA-N	-1	0	314.349	0.576	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CC[C@](O)(CC#N)C1	ZINC001598711559	995355710	/nfs/dbraw/zinc/35/57/10/995355710.db2.gz	HPHWLAAMZZXMSH-XJKSGUPXSA-N	-1	0	318.329	0.949	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCO[C@@H](C#N)C1	ZINC001598712282	995362748	/nfs/dbraw/zinc/36/27/48/995362748.db2.gz	KOBJQHMYFZMBMA-QWHCGFSZSA-N	-1	0	304.302	0.823	20	30		DCEDRM
COC(=O)[C@@]1(OC)CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC001598726487	995523309	/nfs/dbraw/zinc/52/33/09/995523309.db2.gz	VTFNPDNBGGGRMB-CZUORRHYSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C[C@H](OC(=O)c1ccc(C(=O)[O-])n1C)C(=O)NC1(C#N)CCC1	ZINC001593575753	995684476	/nfs/dbraw/zinc/68/44/76/995684476.db2.gz	WZGDURRVVGVMOR-VIFPVBQESA-N	-1	0	319.317	0.831	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](O)CN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001598757601	995739300	/nfs/dbraw/zinc/73/93/00/995739300.db2.gz	POHVNJVUNRNYRY-DTWKUNHWSA-N	-1	0	305.290	0.012	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ncc(Cl)s2)c(=O)[n-]c1=O	ZINC001465102842	1015984459	/nfs/dbraw/zinc/98/44/59/1015984459.db2.gz	UBEZGUABZOZTJH-UHFFFAOYSA-N	-1	0	311.710	0.569	20	30		DCEDRM
CCc1cc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n(C)n1	ZINC001465172426	1015986911	/nfs/dbraw/zinc/98/69/11/1015986911.db2.gz	WALBFSDLHVHHPU-UHFFFAOYSA-N	-1	0	316.321	0.145	20	30		DCEDRM
CO[C@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1(C)C	ZINC001465639053	1016013896	/nfs/dbraw/zinc/01/38/96/1016013896.db2.gz	IRGJPJTXGPLHMR-MNOVXSKESA-N	-1	0	320.349	0.140	20	30		DCEDRM
C[C@]1(C#N)CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1	ZINC001593743473	996368339	/nfs/dbraw/zinc/36/83/39/996368339.db2.gz	QACSTJUAJRRWGD-SNVBAGLBSA-N	-1	0	301.349	0.766	20	30		DCEDRM
COC(=O)[C@H]1CN(c2cc(C#N)cc(Cl)n2)C[C@@H]1C(=O)[O-]	ZINC001598827285	996396269	/nfs/dbraw/zinc/39/62/69/996396269.db2.gz	LXZQVCMXGAGCHR-IUCAKERBSA-N	-1	0	309.709	0.917	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001598855862	996638080	/nfs/dbraw/zinc/63/80/80/996638080.db2.gz	ZIXAMBOHVWUVIS-HYXAFXHYSA-N	-1	0	306.274	0.906	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCc2nnc(C)n2C)cc1C#N	ZINC001466406533	1016074571	/nfs/dbraw/zinc/07/45/71/1016074571.db2.gz	IZRQWJUYIYEDQI-UHFFFAOYSA-N	-1	0	318.362	0.748	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(c2nnc([C@H](C)CCC#N)n2C)C1	ZINC001599078568	996938181	/nfs/dbraw/zinc/93/81/81/996938181.db2.gz	SOVUCXFXKSKFBD-QMTHXVAHSA-N	-1	0	307.354	0.902	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)Nc1cc(C)c(N(C)C)cc1C#N	ZINC001466764369	1016110381	/nfs/dbraw/zinc/11/03/81/1016110381.db2.gz	WYEDRDDLFWWHCO-UHFFFAOYSA-N	-1	0	305.338	0.732	20	30		DCEDRM
C[C@@]1(CNS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCOC1	ZINC001594027332	997573253	/nfs/dbraw/zinc/57/32/53/997573253.db2.gz	GJZIMRWDYWEPHK-AWEZNQCLSA-N	-1	0	324.358	0.961	20	30		DCEDRM
CO[C@@H]1CN(C(=O)[C@@H](O)c2ccc(C#N)cc2)[C@](C)(C(=O)[O-])C1	ZINC001599130502	997932614	/nfs/dbraw/zinc/93/26/14/997932614.db2.gz	LFXBNNWCNRNHBA-XEZPLFJOSA-N	-1	0	318.329	0.682	20	30		DCEDRM
COCC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001599138665	998088712	/nfs/dbraw/zinc/08/87/12/998088712.db2.gz	NSHXIAUCXHOPON-RQJABVFESA-N	-1	0	306.362	0.032	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC001594141553	998445196	/nfs/dbraw/zinc/44/51/96/998445196.db2.gz	KRKGPVAADPJSIN-ZJUUUORDSA-N	-1	0	319.321	0.057	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1CC1	ZINC001599054859	999222227	/nfs/dbraw/zinc/22/22/27/999222227.db2.gz	BMTOQQZHBMQRPM-GFCCVEGCSA-N	-1	0	324.358	0.960	20	30		DCEDRM
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])[C@H]1CO	ZINC001594431555	999605871	/nfs/dbraw/zinc/60/58/71/999605871.db2.gz	ATPUUBZUOVGWGW-CABZTGNLSA-N	-1	0	324.358	0.648	20	30		DCEDRM
CC[C@@H]1C[C@H]1CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001470155228	1016392556	/nfs/dbraw/zinc/39/25/56/1016392556.db2.gz	ZKMVZWUFEOQUGV-ZJUUUORDSA-N	-1	0	305.338	0.166	20	30		DCEDRM
CC[C@H](C)CONC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001470316851	1016414967	/nfs/dbraw/zinc/41/49/67/1016414967.db2.gz	XFJWFFGKQMPKAS-VIFPVBQESA-N	-1	0	309.326	0.097	20	30		DCEDRM
CCc1cccnc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001470361204	1016426239	/nfs/dbraw/zinc/42/62/39/1016426239.db2.gz	OYSNBRLZLBDWKK-UHFFFAOYSA-N	-1	0	313.317	0.208	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N1CCC(c2nnn[n-]2)CC1	ZINC001418998432	1000677121	/nfs/dbraw/zinc/67/71/21/1000677121.db2.gz	SXKPCMZSNLLUFR-UHFFFAOYSA-N	-1	0	312.333	0.856	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001419042221	1000715300	/nfs/dbraw/zinc/71/53/00/1000715300.db2.gz	IXCJTSMMULXWLD-JQWIXIFHSA-N	-1	0	312.333	0.855	20	30		DCEDRM
CN1CCO[C@@H](CS(=O)(=O)[N-]c2cccc(CC#N)n2)C1	ZINC001424740933	1001966090	/nfs/dbraw/zinc/96/60/90/1001966090.db2.gz	DIJFVPQPONIAFV-GFCCVEGCSA-N	-1	0	310.379	0.220	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](CO)[C@H](CCO)C1	ZINC001420680007	1002793499	/nfs/dbraw/zinc/79/34/99/1002793499.db2.gz	PPAHBNGXWNQQAE-PWSUYJOCSA-N	-1	0	305.334	0.030	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](CNC(=O)[C@H](C)C#N)C(C)(C)C)c1[O-]	ZINC001407451403	1004658879	/nfs/dbraw/zinc/65/88/79/1004658879.db2.gz	FATWYUOIXXYZRI-SCZZXKLOSA-N	-1	0	321.381	0.844	20	30		DCEDRM
CCCN(CC(=O)OC)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001473391897	1016925276	/nfs/dbraw/zinc/92/52/76/1016925276.db2.gz	XOJGHYYYMPNDKP-UHFFFAOYSA-N	-1	0	303.322	0.692	20	30		DCEDRM
CC1(C)C[C@]1(C)CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001414724445	1005390567	/nfs/dbraw/zinc/39/05/67/1005390567.db2.gz	GYZWVFCXKBHFHU-OAHLLOKOSA-N	-1	0	319.365	0.556	20	30		DCEDRM
CCc1cnc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001417649350	1005860256	/nfs/dbraw/zinc/86/02/56/1005860256.db2.gz	CCZVUSPRCZYGPZ-UHFFFAOYSA-N	-1	0	305.319	0.478	20	30		DCEDRM
COC[C@@H](CCO)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001417675816	1005865787	/nfs/dbraw/zinc/86/57/87/1005865787.db2.gz	HOIMGGWCCNZFTL-SECBINFHSA-N	-1	0	311.363	0.508	20	30		DCEDRM
N#CCc1cccc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001417869604	1005910381	/nfs/dbraw/zinc/91/03/81/1005910381.db2.gz	RMSJKPPRLUTJDK-UHFFFAOYSA-N	-1	0	323.312	0.915	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)cc1F	ZINC001418017700	1005957537	/nfs/dbraw/zinc/95/75/37/1005957537.db2.gz	PAWHHMZXNJEAFN-UHFFFAOYSA-N	-1	0	319.296	0.797	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)[n-]c1C#N	ZINC001418239230	1006226591	/nfs/dbraw/zinc/22/65/91/1006226591.db2.gz	UDQZHHVKNYMHEO-MRXNPFEDSA-N	-1	0	320.312	0.549	20	30		DCEDRM
C#CCNC(=O)c1cnc(I)c([O-])c1	ZINC001440415756	1007743576	/nfs/dbraw/zinc/74/35/76/1007743576.db2.gz	MEGGUBCEPSLYSY-UHFFFAOYSA-N	-1	0	302.071	0.755	20	30		DCEDRM
C[C@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccco1	ZINC001453845597	1008758534	/nfs/dbraw/zinc/75/85/34/1008758534.db2.gz	TUZVHEMHAAKHHK-VIFPVBQESA-N	-1	0	302.290	0.333	20	30		DCEDRM
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001433626154	1009015476	/nfs/dbraw/zinc/01/54/76/1009015476.db2.gz	IWRVVEUFROUZCM-UHFFFAOYSA-N	-1	0	315.333	0.998	20	30		DCEDRM
N#Cc1cc(Br)ccc1C(=O)NCc1nc(=O)o[n-]1	ZINC001433832178	1009229307	/nfs/dbraw/zinc/22/93/07/1009229307.db2.gz	ILOCEOFKEDJEHB-UHFFFAOYSA-N	-1	0	323.106	0.927	20	30		DCEDRM
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001433880411	1009298400	/nfs/dbraw/zinc/29/84/00/1009298400.db2.gz	OVUYOPOREDEERD-QWRGUYRKSA-N	-1	0	302.334	0.612	20	30		DCEDRM
CCO[C@H]1COCC[C@@H]1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001433898957	1009324959	/nfs/dbraw/zinc/32/49/59/1009324959.db2.gz	UXDKVOSUCVPMPA-RYUDHWBXSA-N	-1	0	305.334	0.891	20	30		DCEDRM
N#CCCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC001454908466	1009391280	/nfs/dbraw/zinc/39/12/80/1009391280.db2.gz	MTYSKVACKIQHHH-UHFFFAOYSA-N	-1	0	304.306	0.972	20	30		DCEDRM
CC[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H](C)CO1	ZINC001434153431	1009615762	/nfs/dbraw/zinc/61/57/62/1009615762.db2.gz	XUVTZHKTBLVKLW-JQWIXIFHSA-N	-1	0	320.349	0.237	20	30		DCEDRM
CC[C@@H]1C(=O)NCCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001422290943	1009790698	/nfs/dbraw/zinc/79/06/98/1009790698.db2.gz	FEUIPIQWTJGGJI-GFCCVEGCSA-N	-1	0	314.349	0.407	20	30		DCEDRM
C#CCOc1ccc(C(=O)N[C@@H](COC)c2nnn[n-]2)cc1	ZINC001455729934	1009935621	/nfs/dbraw/zinc/93/56/21/1009935621.db2.gz	OVMXHVHUZXCAOB-LBPRGKRZSA-N	-1	0	301.306	0.329	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2nc3c(s2)CCCC3)c(C#N)c1=O	ZINC001434447278	1009965165	/nfs/dbraw/zinc/96/51/65/1009965165.db2.gz	QQDUDUAZVJWKLX-UHFFFAOYSA-N	-1	0	317.374	0.893	20	30		DCEDRM
CO[C@@H](C)c1nc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cs1	ZINC001458235701	1012113661	/nfs/dbraw/zinc/11/36/61/1012113661.db2.gz	UDABLWKSIWQTTI-ZETCQYMHSA-N	-1	0	321.362	0.721	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001556687668	1012220050	/nfs/dbraw/zinc/22/00/50/1012220050.db2.gz	OIMXUFJUFIFCOM-OLZOCXBDSA-N	-1	0	314.349	0.538	20	30		DCEDRM
C/C(=C\C(C)(C)C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001557601622	1012285116	/nfs/dbraw/zinc/28/51/16/1012285116.db2.gz	WUSNNTHGODIPKF-JXMROGBWSA-N	-1	0	304.350	0.929	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@](C)(CNC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001459502301	1012754948	/nfs/dbraw/zinc/75/49/48/1012754948.db2.gz	JOWRTANCALGMOF-BJOHPYRUSA-N	-1	0	319.365	0.552	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCOCC(F)(F)C1)cc2=O	ZINC001460205673	1012873538	/nfs/dbraw/zinc/87/35/38/1012873538.db2.gz	QXBTVCKMTISOOO-UHFFFAOYSA-N	-1	0	309.276	0.774	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@](C)(CNC(=O)[C@@H](C)C#N)C2CC2)c1[O-]	ZINC001432857318	1012959908	/nfs/dbraw/zinc/95/99/08/1012959908.db2.gz	CZTDHLJDDWTRLE-VXJOIVPMSA-N	-1	0	319.365	0.598	20	30		DCEDRM
C=C(C)CN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@H]1CCOC1	ZINC001519618829	1017221366	/nfs/dbraw/zinc/22/13/66/1017221366.db2.gz	UUUSWONXDLNTCY-LLVKDONJSA-N	-1	0	318.381	0.551	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NCCC2(F)CCC2)c(=O)[n-]c1=O	ZINC001478764414	1017383243	/nfs/dbraw/zinc/38/32/43/1017383243.db2.gz	BIHFSXNFMAZGQE-UHFFFAOYSA-N	-1	0	323.328	0.402	20	30		DCEDRM
C=CCCCC(=O)NC[C@@H](CC)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001499315394	1017840865	/nfs/dbraw/zinc/84/08/65/1017840865.db2.gz	MCJUJFZBAWWAEH-SECBINFHSA-N	-1	0	323.353	0.264	20	30		DCEDRM
C=CCOCC(=O)N[C@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001499011320	1019646709	/nfs/dbraw/zinc/64/67/09/1019646709.db2.gz	GUWLPAOOXGYLMV-SNVBAGLBSA-N	-1	0	310.354	0.251	20	30		DCEDRM
CC1(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)OCCO1	ZINC000179524757	199050856	/nfs/dbraw/zinc/05/08/56/199050856.db2.gz	UWXUAWGTWACFBE-UHFFFAOYSA-N	-1	0	318.301	0.878	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000158603638	291231988	/nfs/dbraw/zinc/23/19/88/291231988.db2.gz	PHJHHBNPNKADEC-SNVBAGLBSA-N	-1	0	302.283	0.075	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-]	ZINC000274914636	212030622	/nfs/dbraw/zinc/03/06/22/212030622.db2.gz	LIXCXMVTSWBCSK-ONGXEEELSA-N	-1	0	315.351	0.152	20	30		DCEDRM
COCCNC(=O)[C@@H](C#N)Cn1[n-]c(C(F)(F)F)cc1=O	ZINC000181291856	533008391	/nfs/dbraw/zinc/00/83/91/533008391.db2.gz	JOAMZOQBMTTWEP-ZETCQYMHSA-N	-1	0	306.244	0.510	20	30		DCEDRM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N	ZINC000284647950	131100000	/nfs/dbraw/zinc/10/00/00/131100000.db2.gz	DAYOPUHUCHOUBI-SSDOTTSWSA-N	-1	0	311.367	0.377	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c(Cl)c1	ZINC000126046654	395909540	/nfs/dbraw/zinc/90/95/40/395909540.db2.gz	PDEMRVIMAJMIKG-SECBINFHSA-N	-1	0	318.738	0.326	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000263502998	396219140	/nfs/dbraw/zinc/21/91/40/396219140.db2.gz	UMDSQQHNQFUSFM-CQSZACIVSA-N	-1	0	307.306	0.914	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1	ZINC000594689931	396497394	/nfs/dbraw/zinc/49/73/94/396497394.db2.gz	HXQSTLHBDSKHBU-ZWNOBZJWSA-N	-1	0	314.363	0.043	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1	ZINC000594685331	396497576	/nfs/dbraw/zinc/49/75/76/396497576.db2.gz	VIFTXOKXAXIOTO-BXUZGUMPSA-N	-1	0	322.342	0.280	20	30		DCEDRM
C=CCCSCCNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000594721034	396501306	/nfs/dbraw/zinc/50/13/06/396501306.db2.gz	TXHSECYEVDTQSO-SNVBAGLBSA-N	-1	0	308.425	0.679	20	30		DCEDRM
N#Cc1ccc2c(c1)CN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)C2	ZINC000594540230	396485698	/nfs/dbraw/zinc/48/56/98/396485698.db2.gz	SKQYIZJHHRDWKZ-LBPRGKRZSA-N	-1	0	313.313	0.334	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000594541053	396485790	/nfs/dbraw/zinc/48/57/90/396485790.db2.gz	XBTGVNIRVNKFLS-MRVPVSSYSA-N	-1	0	307.281	0.150	20	30		DCEDRM
N#CCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000594576146	396488148	/nfs/dbraw/zinc/48/81/48/396488148.db2.gz	ZKJWDVXPGFQFGW-HTQZYQBOSA-N	-1	0	314.285	0.815	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1	ZINC000581580326	396566229	/nfs/dbraw/zinc/56/62/29/396566229.db2.gz	UDDJSXWIDVGWCI-FZMZJTMJSA-N	-1	0	321.358	0.829	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)NCCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000595275483	396576467	/nfs/dbraw/zinc/57/64/67/396576467.db2.gz	DZINPLHWAICSAK-SNVBAGLBSA-N	-1	0	303.318	0.054	20	30		DCEDRM
C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1	ZINC000595987348	396703176	/nfs/dbraw/zinc/70/31/76/396703176.db2.gz	MJIOFEMIAMUCIR-INIZCTEOSA-N	-1	0	321.377	0.852	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000596025145	396709427	/nfs/dbraw/zinc/70/94/27/396709427.db2.gz	YLLIMAKDUAXGCN-CYBMUJFWSA-N	-1	0	323.374	0.761	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000591269286	396891791	/nfs/dbraw/zinc/89/17/91/396891791.db2.gz	CDDWWNZOPVLWGJ-ZDUSSCGKSA-N	-1	0	319.317	0.432	20	30		DCEDRM
CC[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@H](O)C(C)C	ZINC000600843086	396956793	/nfs/dbraw/zinc/95/67/93/396956793.db2.gz	WUVNVANUIMQKNU-DGCLKSJQSA-N	-1	0	322.365	0.122	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1nn(C)c(C)c1Cl)C(=O)[O-]	ZINC000630186739	396956833	/nfs/dbraw/zinc/95/68/33/396956833.db2.gz	XHXQBFZKVLHZOE-MRVPVSSYSA-N	-1	0	301.730	0.768	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)CC(=O)[O-]	ZINC000619471665	397135374	/nfs/dbraw/zinc/13/53/74/397135374.db2.gz	YEZNVYIZUWKLMQ-LLVKDONJSA-N	-1	0	312.347	0.521	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H](CO)[C@@H]2CCOC2)s1	ZINC000619548643	397148227	/nfs/dbraw/zinc/14/82/27/397148227.db2.gz	HWJCWJRGPFREIH-ZJUUUORDSA-N	-1	0	316.404	0.543	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000362129073	397168529	/nfs/dbraw/zinc/16/85/29/397168529.db2.gz	JTHKWFUYEQBFKW-SRVKXCTJSA-N	-1	0	315.395	0.794	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000598745831	397288229	/nfs/dbraw/zinc/28/82/29/397288229.db2.gz	QQHVYRWQRQSNRK-CQSZACIVSA-N	-1	0	324.337	0.995	20	30		DCEDRM
C[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c2ccccc21	ZINC000602068919	397293439	/nfs/dbraw/zinc/29/34/39/397293439.db2.gz	FEHFVNBHKDOZIA-JTQLQIEISA-N	-1	0	310.313	0.971	20	30		DCEDRM
CCN(CC(F)(F)F)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602086299	397296995	/nfs/dbraw/zinc/29/69/95/397296995.db2.gz	PEAABWSSFZZOIL-UHFFFAOYSA-N	-1	0	318.255	0.621	20	30		DCEDRM
Cc1cccc2c1CCN2C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602085431	397297110	/nfs/dbraw/zinc/29/71/10/397297110.db2.gz	MNUHVZXLHKPWKJ-UHFFFAOYSA-N	-1	0	310.313	0.718	20	30		DCEDRM
C[C@@H]1Cc2ccccc2CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602110828	397305152	/nfs/dbraw/zinc/30/51/52/397305152.db2.gz	QUMHIGDGTMAXOP-LLVKDONJSA-N	-1	0	324.340	0.794	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2C[C@H]3CCC[C@@H]3C2)c(=O)[n-]c1=O	ZINC000602120989	397308157	/nfs/dbraw/zinc/30/81/57/397308157.db2.gz	UVXVROZAOCJMRQ-GHMZBOCLSA-N	-1	0	302.334	0.469	20	30		DCEDRM
CSC[C@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602160126	397327684	/nfs/dbraw/zinc/32/76/84/397327684.db2.gz	LVNNPOQOZSIUQL-JTQLQIEISA-N	-1	0	322.390	0.422	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)nn1	ZINC000621607413	397404760	/nfs/dbraw/zinc/40/47/60/397404760.db2.gz	UCQKDGYPOZVIDK-JTQLQIEISA-N	-1	0	310.379	0.744	20	30		DCEDRM
C=C[C@@](C)(O)C(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000614560028	397469747	/nfs/dbraw/zinc/46/97/47/397469747.db2.gz	ARERYWIZTZCTHT-GFCCVEGCSA-N	-1	0	300.336	0.176	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])CC1	ZINC000593945711	397485037	/nfs/dbraw/zinc/48/50/37/397485037.db2.gz	PEKRNAXTVHAZEX-LBPRGKRZSA-N	-1	0	323.374	0.691	20	30		DCEDRM
CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000558473415	288444723	/nfs/dbraw/zinc/44/47/23/288444723.db2.gz	QYPXNRLUIRTOMB-SCZZXKLOSA-N	-1	0	302.308	0.044	20	30		DCEDRM
CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@@H](C#N)C1	ZINC000264515658	286690594	/nfs/dbraw/zinc/69/05/94/286690594.db2.gz	VCKMAHQRFUHNJU-NSHDSACASA-N	-1	0	323.374	0.813	20	30		DCEDRM
COC[C@](C)(NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000262208451	158785585	/nfs/dbraw/zinc/78/55/85/158785585.db2.gz	LGEUEFWNVQBHMY-BONVTDFDSA-N	-1	0	306.318	0.931	20	30		DCEDRM
N#Cc1csc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)c1	ZINC000408404809	160102196	/nfs/dbraw/zinc/10/21/96/160102196.db2.gz	ARBLTIZLNDMPFY-VIFPVBQESA-N	-1	0	300.361	0.858	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)nc1	ZINC000539324359	412314179	/nfs/dbraw/zinc/31/41/79/412314179.db2.gz	GYWMNAPSEFXMLG-LLVKDONJSA-N	-1	0	312.337	0.284	20	30		DCEDRM
COc1ccc(O)c(S(=O)(=O)[N-]c2nn(C)cc2C#N)c1	ZINC000342784081	415295532	/nfs/dbraw/zinc/29/55/32/415295532.db2.gz	QQYMTGFNIJCKTP-UHFFFAOYSA-N	-1	0	308.319	0.807	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1	ZINC000342868027	415324796	/nfs/dbraw/zinc/32/47/96/415324796.db2.gz	IVLNAGKYPZTXOP-SECBINFHSA-N	-1	0	312.347	0.354	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]N2CCCNC2=O)cc1Cl	ZINC000275912051	415387684	/nfs/dbraw/zinc/38/76/84/415387684.db2.gz	RODCOEQLJNVGIS-UHFFFAOYSA-N	-1	0	314.754	0.820	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000085856401	415506635	/nfs/dbraw/zinc/50/66/35/415506635.db2.gz	IYFFHVRNKYQXBT-ZDUSSCGKSA-N	-1	0	310.331	0.389	20	30		DCEDRM
C#CCN(CC#C)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000120730241	415782996	/nfs/dbraw/zinc/78/29/96/415782996.db2.gz	JXIZAEIJOSPEFS-UHFFFAOYSA-N	-1	0	311.366	0.780	20	30		DCEDRM
COCCNC(=O)[C@@H](C#N)c1nc(=O)c2c(C)c(C)sc2[nH]1	ZINC000122065777	415822915	/nfs/dbraw/zinc/82/29/15/415822915.db2.gz	DXVUYAJLUNCPBT-VIFPVBQESA-N	-1	0	320.374	0.971	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1	ZINC000291329004	415828394	/nfs/dbraw/zinc/82/83/94/415828394.db2.gz	ULHVJKHKRLOCHG-CQSZACIVSA-N	-1	0	322.386	0.911	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)NC2(CCC(CC)CC2)C1=O	ZINC000291224255	415828411	/nfs/dbraw/zinc/82/84/11/415828411.db2.gz	JTLCLAUFKMCZDO-UHFFFAOYSA-N	-1	0	307.350	0.558	20	30		DCEDRM
COC(=O)[C@@H](C)NS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000296163456	415910891	/nfs/dbraw/zinc/91/08/91/415910891.db2.gz	HKSFCMCNILYMAY-MRVPVSSYSA-N	-1	0	300.311	0.678	20	30		DCEDRM
N#CCCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000355561510	415863101	/nfs/dbraw/zinc/86/31/01/415863101.db2.gz	FEBNJWBATDQSQJ-UHFFFAOYSA-N	-1	0	317.317	0.663	20	30		DCEDRM
N#Cc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])ccn1	ZINC000356629102	415964713	/nfs/dbraw/zinc/96/47/13/415964713.db2.gz	UYZIYEFFIHBHAL-UHFFFAOYSA-N	-1	0	318.314	0.559	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCN2CCOCC2)cc1C#N	ZINC000338111631	416046078	/nfs/dbraw/zinc/04/60/78/416046078.db2.gz	IHCPICLNPUFCEU-UHFFFAOYSA-N	-1	0	322.390	0.443	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)COc2ccccc2C#N)n[n-]1	ZINC000338112770	416046305	/nfs/dbraw/zinc/04/63/05/416046305.db2.gz	RLGDBVAXDXVIHS-UHFFFAOYSA-N	-1	0	321.318	0.097	20	30		DCEDRM
C[C@H]1CCCN(S(=O)(=O)c2cccnc2C#N)[C@H]1C(=O)[O-]	ZINC000300300313	416073244	/nfs/dbraw/zinc/07/32/44/416073244.db2.gz	UCOIDXLMIBUDQX-JOYOIKCWSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCC(F)(F)CO)cc1C#N	ZINC000344949790	416013630	/nfs/dbraw/zinc/01/36/30/416013630.db2.gz	ONEZQVQXNIHFCG-UHFFFAOYSA-N	-1	0	303.290	0.738	20	30		DCEDRM
COCCn1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)n1	ZINC000357110411	416033219	/nfs/dbraw/zinc/03/32/19/416033219.db2.gz	XHLWHUUMKHLHMS-UHFFFAOYSA-N	-1	0	307.335	0.597	20	30		DCEDRM
C=C(C)[C@H](CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1)OCC	ZINC000339608967	416160851	/nfs/dbraw/zinc/16/08/51/416160851.db2.gz	TVJSEVOVXUSVLC-QMMMGPOBSA-N	-1	0	302.356	0.518	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1C(N)=O	ZINC000193361918	416315875	/nfs/dbraw/zinc/31/58/75/416315875.db2.gz	YPRNQEMNSQDWCL-UHFFFAOYSA-N	-1	0	318.358	0.991	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2nccnc2C#N)C1=O	ZINC000416448121	416370095	/nfs/dbraw/zinc/37/00/95/416370095.db2.gz	SVPJJJWNIPSOBS-KOLCDFICSA-N	-1	0	303.322	0.470	20	30		DCEDRM
CCC(CC)(CNS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000424368348	416638709	/nfs/dbraw/zinc/63/87/09/416638709.db2.gz	PRZCLURBWAEUMG-SNVBAGLBSA-N	-1	0	305.400	0.803	20	30		DCEDRM
N#Cc1ccnc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1Cl	ZINC000424462389	416648048	/nfs/dbraw/zinc/64/80/48/416648048.db2.gz	AOJJIGIJCQZYPD-MRVPVSSYSA-N	-1	0	315.738	0.295	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-]	ZINC000563227268	416875782	/nfs/dbraw/zinc/87/57/82/416875782.db2.gz	UPMWFGBRJLOBJN-NSHDSACASA-N	-1	0	321.399	0.277	20	30		DCEDRM
Cc1cc(C(=O)N2CC[C@@](F)(C#N)C2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000615665005	416884021	/nfs/dbraw/zinc/88/40/21/416884021.db2.gz	ULCFKGVTVIXEDK-CQSZACIVSA-N	-1	0	317.280	0.822	20	30		DCEDRM
COCn1nc(C)c(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)c1C	ZINC000430063242	417018013	/nfs/dbraw/zinc/01/80/13/417018013.db2.gz	YEQZHXQINOVWLA-UHFFFAOYSA-N	-1	0	324.366	0.808	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)N1CCC(CCC#N)CC1)C(=O)[O-]	ZINC000565422094	416977947	/nfs/dbraw/zinc/97/79/47/416977947.db2.gz	LIMFHDWZDSARGD-NSHDSACASA-N	-1	0	309.366	0.708	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000643463251	417215049	/nfs/dbraw/zinc/21/50/49/417215049.db2.gz	OBMVLAMHRUONCU-GFCCVEGCSA-N	-1	0	312.366	0.361	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(Cl)c1	ZINC000570464321	417360153	/nfs/dbraw/zinc/36/01/53/417360153.db2.gz	PFRMHLMNMBLWJY-SECBINFHSA-N	-1	0	318.738	0.130	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000627273819	417323511	/nfs/dbraw/zinc/32/35/11/417323511.db2.gz	LATVTIKLTIZFII-NWDGAFQWSA-N	-1	0	312.366	0.265	20	30		DCEDRM
CCOC(=O)[C@]1(CCn2c(=O)[n-]cc(C#N)c2=O)CCCC1=O	ZINC000570926833	417406981	/nfs/dbraw/zinc/40/69/81/417406981.db2.gz	IYDRYUZFJHZHRL-HNNXBMFYSA-N	-1	0	319.317	0.101	20	30		DCEDRM
CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000573005589	417465113	/nfs/dbraw/zinc/46/51/13/417465113.db2.gz	UOTFBTMCTMDNMI-OUAUKWLOSA-N	-1	0	305.400	0.754	20	30		DCEDRM
CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000573005590	417465669	/nfs/dbraw/zinc/46/56/69/417465669.db2.gz	UOTFBTMCTMDNMI-VWYCJHECSA-N	-1	0	305.400	0.754	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)NC1(C(=O)[O-])CCCC1	ZINC000573092322	417466533	/nfs/dbraw/zinc/46/65/33/417466533.db2.gz	MBIJCFKIBSNFJQ-UHFFFAOYSA-N	-1	0	319.383	0.080	20	30		DCEDRM
C=CCc1ccccc1OC[C@H](O)CN1CCO[C@@H](C(=O)[O-])C1	ZINC000574213436	417482193	/nfs/dbraw/zinc/48/21/93/417482193.db2.gz	SPULLPVQTOTOLX-GDBMZVCRSA-N	-1	0	321.373	0.940	20	30		DCEDRM
CN(C(=O)Cn1c(=O)[n-]cc(C#N)c1=O)C1(C#N)CCCCC1	ZINC000577063920	417658139	/nfs/dbraw/zinc/65/81/39/417658139.db2.gz	NUHBNMYXJLKWFU-UHFFFAOYSA-N	-1	0	315.333	0.093	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)N(C)[C@H](C)CC#N	ZINC000580557185	417711652	/nfs/dbraw/zinc/71/16/52/417711652.db2.gz	KKJZEPMYLAITEB-MXWKQRLJSA-N	-1	0	305.400	0.800	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000646169088	417794756	/nfs/dbraw/zinc/79/47/56/417794756.db2.gz	IWNHXJKICXCERT-NSHDSACASA-N	-1	0	300.355	0.352	20	30		DCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1	ZINC000662905122	417945254	/nfs/dbraw/zinc/94/52/54/417945254.db2.gz	CTEHBBDVWKEOTF-NWDGAFQWSA-N	-1	0	310.350	0.113	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CCOC1(C)C)C(=O)[O-]	ZINC000663269413	418005251	/nfs/dbraw/zinc/00/52/51/418005251.db2.gz	NJRKQWHTRIETPN-QWRGUYRKSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000647505267	418017056	/nfs/dbraw/zinc/01/70/56/418017056.db2.gz	OBOOABNVAHXOSL-NWDGAFQWSA-N	-1	0	312.366	0.217	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000659662746	418139474	/nfs/dbraw/zinc/13/94/74/418139474.db2.gz	BQEYCZGCTCNRTC-GFCCVEGCSA-N	-1	0	312.366	0.409	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659780734	418181050	/nfs/dbraw/zinc/18/10/50/418181050.db2.gz	SLXHTDDGTODNFO-BDJLRTHQSA-N	-1	0	318.329	0.820	20	30		DCEDRM
C=CCn1cc(C(=O)N2CCC[C@@](COC)(C(=O)[O-])C2)nn1	ZINC000649250287	418215360	/nfs/dbraw/zinc/21/53/60/418215360.db2.gz	YPADJTDZLKUKDL-CQSZACIVSA-N	-1	0	308.338	0.418	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cc(C)cc(C(N)=O)c1)C(=O)[O-]	ZINC000656512520	418358900	/nfs/dbraw/zinc/35/89/00/418358900.db2.gz	KOWHSGUHTADJSW-LBPRGKRZSA-N	-1	0	324.358	0.239	20	30		DCEDRM
C=CCC[C@H](NC(=O)NC[C@@H](OC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000656583521	418364637	/nfs/dbraw/zinc/36/46/37/418364637.db2.gz	DJRYOJWWRFTGFU-GRYCIOLGSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCOCCCNC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000656595499	418365172	/nfs/dbraw/zinc/36/51/72/418365172.db2.gz	LDPWGOPJYAATRC-UHFFFAOYSA-N	-1	0	300.355	0.854	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCc1c(C2CC2)cnn1C)C(=O)[O-]	ZINC000656597866	418365975	/nfs/dbraw/zinc/36/59/75/418365975.db2.gz	VXFSYXYYHHBCPJ-GFCCVEGCSA-N	-1	0	322.365	0.753	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)o1	ZINC000361132912	261900079	/nfs/dbraw/zinc/90/00/79/261900079.db2.gz	SWFNNIBIDQMXNF-UHFFFAOYSA-N	-1	0	316.302	0.928	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000362251199	262015406	/nfs/dbraw/zinc/01/54/06/262015406.db2.gz	USXUXHKDERAUAU-VIFPVBQESA-N	-1	0	312.347	0.908	20	30		DCEDRM
Cn1nnc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1	ZINC000362986759	262092430	/nfs/dbraw/zinc/09/24/30/262092430.db2.gz	OATNKGGGGJOBIJ-UHFFFAOYSA-N	-1	0	312.742	0.214	20	30		DCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cncc(C#N)c1	ZINC000396997894	262163199	/nfs/dbraw/zinc/16/31/99/262163199.db2.gz	CWIGQQYNTBNQDD-GXSJLCMTSA-N	-1	0	309.347	0.827	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2n[nH]c(SCCO)n2)cc1[O-]	ZINC000527484091	268207496	/nfs/dbraw/zinc/20/74/96/268207496.db2.gz	WJLUJQQKFACRLT-UHFFFAOYSA-N	-1	0	305.319	0.719	20	30		DCEDRM
N#Cc1ccc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1	ZINC000424472257	268243293	/nfs/dbraw/zinc/24/32/93/268243293.db2.gz	ORDUUVMRKIRWLF-NSHDSACASA-N	-1	0	323.330	0.274	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2cscn2)cn1	ZINC000492720810	268255027	/nfs/dbraw/zinc/25/50/27/268255027.db2.gz	QTHPTVZHJZYTIN-DUXPYHPUSA-N	-1	0	320.355	0.928	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000547890593	288088930	/nfs/dbraw/zinc/08/89/30/288088930.db2.gz	OKFPEZZHTBRHHP-SECBINFHSA-N	-1	0	318.738	0.590	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1	ZINC000548205828	288121190	/nfs/dbraw/zinc/12/11/90/288121190.db2.gz	OFEIQFKYSPPSOL-ZYHUDNBSSA-N	-1	0	310.331	0.326	20	30		DCEDRM
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@@H](C(=O)[O-])C1	ZINC000230109084	299985820	/nfs/dbraw/zinc/98/58/20/299985820.db2.gz	YUFQXSIBKXMQEM-JOYOIKCWSA-N	-1	0	309.347	0.827	20	30		DCEDRM
Cc1cc(C)c(S(=O)(=O)N2CCOC[C@@H]2C#N)cc1C(=O)[O-]	ZINC000273684551	301194818	/nfs/dbraw/zinc/19/48/18/301194818.db2.gz	HVTBWCDIQBCKRG-NSHDSACASA-N	-1	0	324.358	0.915	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000570622827	332784377	/nfs/dbraw/zinc/78/43/77/332784377.db2.gz	LBQKWCGQBSIIGG-LBPRGKRZSA-N	-1	0	312.366	0.409	20	30		DCEDRM
C[C@@H](OC(C)(C)C)[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000556419419	331702608	/nfs/dbraw/zinc/70/26/08/331702608.db2.gz	TYSCZUXISKYPKC-ZJUUUORDSA-N	-1	0	321.399	0.323	20	30		DCEDRM
C=C(C)CS(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000573494427	332107571	/nfs/dbraw/zinc/10/75/71/332107571.db2.gz	IBNPXIYGDXROMH-LLVKDONJSA-N	-1	0	301.368	0.159	20	30		DCEDRM
CCC[C@@H]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)[C@H]1C(=O)[O-]	ZINC000566312159	332335045	/nfs/dbraw/zinc/33/50/45/332335045.db2.gz	OTYLBOCYKSTWKU-IJLUTSLNSA-N	-1	0	317.411	0.898	20	30		DCEDRM
N#CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000270326138	334011310	/nfs/dbraw/zinc/01/13/10/334011310.db2.gz	LOAAGSVMLFDSFA-UHFFFAOYSA-N	-1	0	309.347	0.430	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000417448127	334887968	/nfs/dbraw/zinc/88/79/68/334887968.db2.gz	SZLCMMVUFKODDT-WDEREUQCSA-N	-1	0	318.395	0.192	20	30		DCEDRM
CSc1nc(=NC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)s[n-]1	ZINC000330013493	336106085	/nfs/dbraw/zinc/10/60/85/336106085.db2.gz	MFXJLJMCZSVDOK-YUMQZZPRSA-N	-1	0	315.424	0.820	20	30		DCEDRM
C[C@H]1CN(C([O-])=Nc2cccn(C)c2=O)C[C@@]2(CCOC2)O1	ZINC000330347151	336173380	/nfs/dbraw/zinc/17/33/80/336173380.db2.gz	HKQOCMISJFQCGH-XHDPSFHLSA-N	-1	0	307.350	0.811	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-]	ZINC000583875960	337368078	/nfs/dbraw/zinc/36/80/78/337368078.db2.gz	ZOFYDUGHYLTZSK-UWVGGRQHSA-N	-1	0	321.399	0.181	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000422892085	337690474	/nfs/dbraw/zinc/69/04/74/337690474.db2.gz	MBCZGQCZFRIWTB-RYUDHWBXSA-N	-1	0	312.366	0.217	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000424490604	337840889	/nfs/dbraw/zinc/84/08/89/337840889.db2.gz	WIMXVWILZPBCRB-PGUXBMHVSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=CCC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-]	ZINC000448999058	338582148	/nfs/dbraw/zinc/58/21/48/338582148.db2.gz	XQJXAZJSOMXXCZ-LBPRGKRZSA-N	-1	0	316.317	0.327	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)C1CCCC1	ZINC000491535915	339865732	/nfs/dbraw/zinc/86/57/32/339865732.db2.gz	GDPIJQVSGIMKTL-DGCLKSJQSA-N	-1	0	306.362	0.570	20	30		DCEDRM
COc1cncc(/C=C/C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000492520610	339902886	/nfs/dbraw/zinc/90/28/86/339902886.db2.gz	JTZXLIMPSGKOMQ-SNAWJCMRSA-N	-1	0	309.347	0.853	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc2c(c1)OCCO2	ZINC000493319760	339923031	/nfs/dbraw/zinc/92/30/31/339923031.db2.gz	KKQRXONHIHNWMY-HWKANZROSA-N	-1	0	322.342	0.831	20	30		DCEDRM
C[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000494418679	339948697	/nfs/dbraw/zinc/94/86/97/339948697.db2.gz	PZKSXQLHDSYNPY-VIFPVBQESA-N	-1	0	319.383	0.649	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CN(C)C(=O)OC(C)(C)C	ZINC000496600107	340008602	/nfs/dbraw/zinc/00/86/02/340008602.db2.gz	MAVIVMUFWMHYNM-UHFFFAOYSA-N	-1	0	304.368	0.323	20	30		DCEDRM
C[C@H]1CC[C@](CNS(=O)(=O)N(C)CCC#N)(CC(=O)[O-])C1	ZINC000548212164	341252728	/nfs/dbraw/zinc/25/27/28/341252728.db2.gz	KCDWDWQUBJDLSM-WCQYABFASA-N	-1	0	317.411	0.947	20	30		DCEDRM
N#CCCCS(=O)(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC001601066334	1159780486	/nfs/dbraw/zinc/78/04/86/1159780486.db2.gz	ABBMLHNIKIOSDO-WDEREUQCSA-N	-1	0	304.368	0.479	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000262412918	534564611	/nfs/dbraw/zinc/56/46/11/534564611.db2.gz	LRZXWYRMBBFAFT-GFCCVEGCSA-N	-1	0	308.359	0.905	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CNC(=O)CC(C)(C)C)C(=O)[O-]	ZINC000263009577	526785824	/nfs/dbraw/zinc/78/58/24/526785824.db2.gz	MYXNTEVXFQWYTE-SNVBAGLBSA-N	-1	0	300.355	0.311	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000263075972	526786388	/nfs/dbraw/zinc/78/63/88/526786388.db2.gz	RRGNWCSWVDUFCA-SNVBAGLBSA-N	-1	0	324.289	0.746	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000263161009	526974476	/nfs/dbraw/zinc/97/44/76/526974476.db2.gz	GCRZAEQEVKSDPV-GHMZBOCLSA-N	-1	0	318.395	0.339	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-]	ZINC000159577292	527165014	/nfs/dbraw/zinc/16/50/14/527165014.db2.gz	HBTVIVLWQLLUQG-SNVBAGLBSA-N	-1	0	312.303	0.658	20	30		DCEDRM
C=CCC[C@@H](NC(=O)CS(=O)(=O)C1CCCC1)C(=O)[O-]	ZINC000262971203	527437036	/nfs/dbraw/zinc/43/70/36/527437036.db2.gz	SOKSALGAJWIMOI-LLVKDONJSA-N	-1	0	303.380	0.879	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CN1c2ccccc2O[C@@H](C)C1=O	ZINC000376984801	527583562	/nfs/dbraw/zinc/58/35/62/527583562.db2.gz	HGKKKBIUQNSVNJ-NSHDSACASA-N	-1	0	318.329	0.900	20	30		DCEDRM
CCOC(=O)[C@H](CO)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000356624202	528016852	/nfs/dbraw/zinc/01/68/52/528016852.db2.gz	PBESBGARKDWWFW-NSHDSACASA-N	-1	0	318.395	0.304	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000263556869	528717384	/nfs/dbraw/zinc/71/73/84/528717384.db2.gz	OWAZAFSWMHWDEE-GHMZBOCLSA-N	-1	0	305.400	0.802	20	30		DCEDRM
CCOC(=O)CC[C@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000278238929	528760063	/nfs/dbraw/zinc/76/00/63/528760063.db2.gz	VXUMJGPEWZOBIR-VIFPVBQESA-N	-1	0	306.340	0.006	20	30		DCEDRM
C=CCN(C(=O)C1CC(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1	ZINC000682701046	548420330	/nfs/dbraw/zinc/42/03/30/548420330.db2.gz	BJGPYRMJQDGQOL-VQXHTEKXSA-N	-1	0	301.364	0.299	20	30		DCEDRM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cnnn1C	ZINC000682833186	548430633	/nfs/dbraw/zinc/43/06/33/548430633.db2.gz	XHDQNKWLKQEPPJ-UHFFFAOYSA-N	-1	0	321.362	0.532	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)c1	ZINC000817675470	597217522	/nfs/dbraw/zinc/21/75/22/597217522.db2.gz	YNWCJABVDLVJHG-CYBMUJFWSA-N	-1	0	318.329	0.863	20	30		DCEDRM
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)C(=O)[O-]	ZINC000740227432	597309174	/nfs/dbraw/zinc/30/91/74/597309174.db2.gz	AZSHYTJAJVJSHY-VIFPVBQESA-N	-1	0	315.333	0.740	20	30		DCEDRM
CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]2C1	ZINC000820702755	597603714	/nfs/dbraw/zinc/60/37/14/597603714.db2.gz	DHZPGZFRZLMWAT-FJJYHAOUSA-N	-1	0	310.350	0.786	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(CNC(N)=O)cc1	ZINC000819848226	597604268	/nfs/dbraw/zinc/60/42/68/597604268.db2.gz	RLIUBBWOBGAGKM-AWEZNQCLSA-N	-1	0	304.306	0.798	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC1CCN(C(=O)C2CC2)CC1	ZINC000819822967	597631468	/nfs/dbraw/zinc/63/14/68/597631468.db2.gz	QTZRTFRHQMXZLV-OAHLLOKOSA-N	-1	0	307.350	0.508	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](Cn2cncn2)C1	ZINC000819810723	597647652	/nfs/dbraw/zinc/64/76/52/597647652.db2.gz	FYZCDWOVAPIOFK-BXUZGUMPSA-N	-1	0	305.338	0.521	20	30		DCEDRM
CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000820061270	597655114	/nfs/dbraw/zinc/65/51/14/597655114.db2.gz	CFGCRAUQHWAOIL-BONVTDFDSA-N	-1	0	319.365	0.837	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(N2CCCNC2=O)CC1	ZINC000819810616	597658134	/nfs/dbraw/zinc/65/81/34/597658134.db2.gz	DHBMOXUBXINOJB-HNNXBMFYSA-N	-1	0	322.365	0.397	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CN(c2ccccc2)C1=O	ZINC000819833691	597725702	/nfs/dbraw/zinc/72/57/02/597725702.db2.gz	HTEAXPUOSYFGPF-NHYWBVRUSA-N	-1	0	301.302	0.523	20	30		DCEDRM
CN(Cc1ccccc1)C(=O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820602275	598224801	/nfs/dbraw/zinc/22/48/01/598224801.db2.gz	VFGKQWRKEFFFFO-MRXNPFEDSA-N	-1	0	317.345	0.766	20	30		DCEDRM
COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820749079	598230526	/nfs/dbraw/zinc/23/05/26/598230526.db2.gz	FXPGUBIAUFXFED-YMTOWFKASA-N	-1	0	321.337	0.380	20	30		DCEDRM
N#CCOc1ccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)cc1	ZINC000737697869	598531966	/nfs/dbraw/zinc/53/19/66/598531966.db2.gz	OCMCAVVFKDHUAQ-UHFFFAOYSA-N	-1	0	321.304	0.468	20	30		DCEDRM
Cc1nn(CCCSCC#N)c(=O)c(-c2nnn[n-]2)c1C	ZINC000822500893	599689978	/nfs/dbraw/zinc/68/99/78/599689978.db2.gz	LGHNSRWYYXDFMT-UHFFFAOYSA-N	-1	0	305.367	0.687	20	30		DCEDRM
CN(CC#N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000737386660	599770751	/nfs/dbraw/zinc/77/07/51/599770751.db2.gz	MIHJSCRVFXBCCO-AWEZNQCLSA-N	-1	0	314.345	0.735	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1C(=O)[O-]	ZINC000736105792	599788785	/nfs/dbraw/zinc/78/87/85/599788785.db2.gz	KYWRXRCWPGURAQ-SECBINFHSA-N	-1	0	320.301	0.942	20	30		DCEDRM
N#CCOc1ccc(CN2C(=O)N[C@@H](CC(=O)[O-])C2=O)cc1	ZINC000739086803	599887281	/nfs/dbraw/zinc/88/72/81/599887281.db2.gz	CNIAHCDRYUPOQJ-NSHDSACASA-N	-1	0	303.274	0.484	20	30		DCEDRM
N#C[C@H]1CN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)CCO1	ZINC000739069447	599993012	/nfs/dbraw/zinc/99/30/12/599993012.db2.gz	QIISRLWUAVDNMF-JSGCOSHPSA-N	-1	0	306.318	0.349	20	30		DCEDRM
C[C@@H](CS(=O)(=O)CC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000736616606	600196261	/nfs/dbraw/zinc/19/62/61/600196261.db2.gz	SIGWSUWINOYWLG-VIFPVBQESA-N	-1	0	310.331	0.632	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC000736077876	600240529	/nfs/dbraw/zinc/24/05/29/600240529.db2.gz	ZFOUNOKYVIUOFH-UHFFFAOYSA-N	-1	0	304.302	0.618	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)N(CC#N)CC(=O)[O-]	ZINC000738921172	600403307	/nfs/dbraw/zinc/40/33/07/600403307.db2.gz	BHFGYDRLVPAQAT-UHFFFAOYSA-N	-1	0	317.349	0.783	20	30		DCEDRM
CCc1nc(C(=O)N(CC#N)CC(=O)[O-])nn1-c1ccccc1	ZINC000737274875	600405049	/nfs/dbraw/zinc/40/50/49/600405049.db2.gz	NDLKVLNKWHKKTI-UHFFFAOYSA-N	-1	0	313.317	0.880	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCCNC(=O)c1ccsc1	ZINC000739077545	600406782	/nfs/dbraw/zinc/40/67/82/600406782.db2.gz	PWWZUOSVVFVELA-UHFFFAOYSA-N	-1	0	309.347	0.695	20	30		DCEDRM
N#Cc1cccnc1NCCNS(=O)(=O)CCCC(=O)[O-]	ZINC000738435051	600495196	/nfs/dbraw/zinc/49/51/96/600495196.db2.gz	JMKRUEZNEJJIDZ-UHFFFAOYSA-N	-1	0	312.351	0.149	20	30		DCEDRM
COCCCNC(=O)CN(C)[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737761978	600566075	/nfs/dbraw/zinc/56/60/75/600566075.db2.gz	DCHJPZKNLSUYOD-HNNXBMFYSA-N	-1	0	319.361	0.768	20	30		DCEDRM
CN1C[C@@H](C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1=O	ZINC000737509234	600610826	/nfs/dbraw/zinc/61/08/26/600610826.db2.gz	OLCVSGUFOCFWJG-AAEUAGOBSA-N	-1	0	302.286	0.705	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)[C@H]2CCC(=O)NC2)C(=O)[O-])cc1	ZINC000739109706	600612795	/nfs/dbraw/zinc/61/27/95/600612795.db2.gz	MODZVQBHUWTYCX-WCQYABFASA-N	-1	0	302.286	0.753	20	30		DCEDRM
Cc1c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)nnn1C	ZINC000832854450	600689176	/nfs/dbraw/zinc/68/91/76/600689176.db2.gz	YDOXXGDTVYTFFB-LBPRGKRZSA-N	-1	0	300.274	0.978	20	30		DCEDRM
COc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1OC	ZINC000586174973	600763880	/nfs/dbraw/zinc/76/38/80/600763880.db2.gz	RMLXSWNUNPXCEJ-UHFFFAOYSA-N	-1	0	314.319	0.303	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC000825609135	600892449	/nfs/dbraw/zinc/89/24/49/600892449.db2.gz	WJOPFDXEYTZSMU-UHFFFAOYSA-N	-1	0	318.285	0.249	20	30		DCEDRM
CS(=O)(=O)c1ccc(OCCN(CC#N)CC(=O)[O-])cc1	ZINC000832719976	601006435	/nfs/dbraw/zinc/00/64/35/601006435.db2.gz	AVYWUFYIWKZPER-UHFFFAOYSA-N	-1	0	312.347	0.379	20	30		DCEDRM
N#C[C@H]1COCCN1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1	ZINC000833063547	601041774	/nfs/dbraw/zinc/04/17/74/601041774.db2.gz	YUEWYWJGJNSHHV-JTQLQIEISA-N	-1	0	314.301	0.758	20	30		DCEDRM
C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN(CC#N)CC(=O)[O-]	ZINC000828252818	601226442	/nfs/dbraw/zinc/22/64/42/601226442.db2.gz	YKKAGVDDUXPCRN-OLZOCXBDSA-N	-1	0	311.382	0.608	20	30		DCEDRM
CC(=O)Nc1ccc(OC[C@H](O)CN(CC#N)CC(=O)[O-])cc1	ZINC000825908166	601227191	/nfs/dbraw/zinc/22/71/91/601227191.db2.gz	PECQCLVCDGMYHG-CYBMUJFWSA-N	-1	0	321.333	0.295	20	30		DCEDRM
C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1ccc(C#N)cc1	ZINC000088768774	601254067	/nfs/dbraw/zinc/25/40/67/601254067.db2.gz	ASMCAASRLWHWGD-SNVBAGLBSA-N	-1	0	311.363	0.860	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000817886413	601343056	/nfs/dbraw/zinc/34/30/56/601343056.db2.gz	NRRMNSVKZMODNO-GFCCVEGCSA-N	-1	0	300.314	0.930	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)c2cc(C(N)=O)c[nH]2)C(=O)[O-])c1	ZINC000833077220	601356060	/nfs/dbraw/zinc/35/60/60/601356060.db2.gz	NLLOKHYXAJPLIR-GFCCVEGCSA-N	-1	0	313.269	0.968	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000088376877	601392945	/nfs/dbraw/zinc/39/29/45/601392945.db2.gz	ZHDXRXINRXQFCT-JTQLQIEISA-N	-1	0	314.294	0.171	20	30		DCEDRM
CC[C@@](C)(CC(=O)[O-])NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000828623201	601470185	/nfs/dbraw/zinc/47/01/85/601470185.db2.gz	KIGHOWRUDGZSTG-BUYIWHAFSA-N	-1	0	323.349	0.663	20	30		DCEDRM
N#C[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000061890171	601476634	/nfs/dbraw/zinc/47/66/34/601476634.db2.gz	PCGLTLOFMQYXQP-WDEREUQCSA-N	-1	0	301.368	0.310	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC000825966592	601556674	/nfs/dbraw/zinc/55/66/74/601556674.db2.gz	HPKLHZAYGXLPBY-JTQLQIEISA-N	-1	0	318.333	0.711	20	30		DCEDRM
N#Cc1ccc([C@H](C(N)=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000833071251	601569551	/nfs/dbraw/zinc/56/95/51/601569551.db2.gz	DVYZNQUTHBFXTH-GXTWGEPZSA-N	-1	0	303.318	0.260	20	30		DCEDRM
O=C([O-])[C@@H]1COCCN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000833192470	602391799	/nfs/dbraw/zinc/39/17/99/602391799.db2.gz	IDPJCDKSKBBQHR-NSHDSACASA-N	-1	0	303.270	0.079	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1NCCN(C(=O)[O-])C1CC1	ZINC000831118164	603187137	/nfs/dbraw/zinc/18/71/37/603187137.db2.gz	ONXSJYOZFFCKCE-UHFFFAOYSA-N	-1	0	324.362	0.760	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N[C@H]1CCN(C(=O)[O-])C1	ZINC000831118450	603190304	/nfs/dbraw/zinc/19/03/04/603190304.db2.gz	ZIRUCHBVMRFOHZ-VIFPVBQESA-N	-1	0	310.335	0.370	20	30		DCEDRM
N#Cc1cccc(OCCOC(=O)COC2CN(C(=O)[O-])C2)c1	ZINC000831152850	603449706	/nfs/dbraw/zinc/44/97/06/603449706.db2.gz	PHJZQOZKPOACEG-UHFFFAOYSA-N	-1	0	320.301	0.859	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1	ZINC000823455520	603534707	/nfs/dbraw/zinc/53/47/07/603534707.db2.gz	DIVWLWGZGSPVFL-CHWSQXEVSA-N	-1	0	321.377	0.411	20	30		DCEDRM
Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830845995	603592559	/nfs/dbraw/zinc/59/25/59/603592559.db2.gz	KKUILYCVDWDGFD-BXKDBHETSA-N	-1	0	319.365	0.855	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)COCCc1ccccc1	ZINC000831082275	603598320	/nfs/dbraw/zinc/59/83/20/603598320.db2.gz	JZTAVWWVUQAEMK-AWEZNQCLSA-N	-1	0	317.345	0.960	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(NC(N)=O)cc1	ZINC000831086335	603600907	/nfs/dbraw/zinc/60/09/07/603600907.db2.gz	DJLWVKQTDKZMCU-LLVKDONJSA-N	-1	0	317.305	0.505	20	30		DCEDRM
N#Cc1ccc(OCC(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)cc1	ZINC000831141748	603612201	/nfs/dbraw/zinc/61/22/01/603612201.db2.gz	MNKNUUKPTTZHQL-ZDUSSCGKSA-N	-1	0	318.285	0.802	20	30		DCEDRM
N#CCN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)[O-])CC1	ZINC000831102230	603627506	/nfs/dbraw/zinc/62/75/06/603627506.db2.gz	CVEKQCAVQLXAPY-MJBXVCDLSA-N	-1	0	320.393	0.965	20	30		DCEDRM
C#CCCN1CCN(C(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1	ZINC000823444846	603717614	/nfs/dbraw/zinc/71/76/14/603717614.db2.gz	QSSBKIXOHSMONW-CHWSQXEVSA-N	-1	0	323.393	0.657	20	30		DCEDRM
CC1CCC(NC(=O)CN2CCN(C(=O)[O-])C[C@@H]2C#N)CC1	ZINC000825881069	603725226	/nfs/dbraw/zinc/72/52/26/603725226.db2.gz	SFLMXXXEXJREKI-BPCQOVAHSA-N	-1	0	308.382	0.869	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)NCc1ccccc1F	ZINC000831091362	603727443	/nfs/dbraw/zinc/72/74/43/603727443.db2.gz	CEFLHUITEJUAFB-GFCCVEGCSA-N	-1	0	320.324	0.630	20	30		DCEDRM
CCO[C@@H](C)c1noc(CN2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000827371322	603729074	/nfs/dbraw/zinc/72/90/74/603729074.db2.gz	JLOFVMWSGBIAFX-VHSXEESVSA-N	-1	0	309.326	0.855	20	30		DCEDRM
N#CC1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CC1	ZINC000831076838	603759021	/nfs/dbraw/zinc/75/90/21/603759021.db2.gz	UBFMIUIRTQCUER-UHFFFAOYSA-N	-1	0	317.305	0.872	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1	ZINC000831097279	603920475	/nfs/dbraw/zinc/92/04/75/603920475.db2.gz	HQNROFZAIHYRAE-AWEZNQCLSA-N	-1	0	312.345	0.430	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1	ZINC000824057101	603992262	/nfs/dbraw/zinc/99/22/62/603992262.db2.gz	OUFBRXCQUHHRIP-ZDUSSCGKSA-N	-1	0	324.381	0.058	20	30		DCEDRM
COC(=O)CN(CC#N)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000828682616	604012302	/nfs/dbraw/zinc/01/23/02/604012302.db2.gz	AEKYRQCFTHIUQK-YOGCLGLASA-N	-1	0	323.349	0.823	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)C1CC1	ZINC000823648304	604037646	/nfs/dbraw/zinc/03/76/46/604037646.db2.gz	SFINVZSBVPLVBH-ZVWUFJHRSA-N	-1	0	323.349	0.774	20	30		DCEDRM
C[C@]1(C(=O)NC[C@@H]2CCCN(CC#N)C2)CCN(C(=O)[O-])C1	ZINC000825662782	604064603	/nfs/dbraw/zinc/06/46/03/604064603.db2.gz	HTPISSPFYUMERP-WFASDCNBSA-N	-1	0	308.382	0.728	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc(C(N)=O)c1	ZINC000831087372	604070126	/nfs/dbraw/zinc/07/01/26/604070126.db2.gz	KVAQBUZAFBGLLY-NSHDSACASA-N	-1	0	302.290	0.113	20	30		DCEDRM
COC(=O)N(C)CCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000828698976	604081868	/nfs/dbraw/zinc/08/18/68/604081868.db2.gz	BDQSSKIOFBKDFJ-JTQLQIEISA-N	-1	0	312.326	0.179	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(NC=O)cc1	ZINC000831088152	604085727	/nfs/dbraw/zinc/08/57/27/604085727.db2.gz	YSYUMRPUAVKNEU-LBPRGKRZSA-N	-1	0	302.290	0.583	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(C(N)=O)s1	ZINC000831087821	604089721	/nfs/dbraw/zinc/08/97/21/604089721.db2.gz	RGWWBOOHFNCUOH-SSDOTTSWSA-N	-1	0	308.319	0.175	20	30		DCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)[C@H](C#N)C(=O)Nc1ccccn1	ZINC000824824675	604252678	/nfs/dbraw/zinc/25/26/78/604252678.db2.gz	NILFPDPIYKMBBL-UWVGGRQHSA-N	-1	0	304.306	0.975	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)n1	ZINC000833078032	604276008	/nfs/dbraw/zinc/27/60/08/604276008.db2.gz	AVEVKFXLNJFEPF-UHFFFAOYSA-N	-1	0	311.261	0.363	20	30		DCEDRM
COc1ccc(NC(=O)Cn2cnc(C#N)n2)c(C(=O)[O-])c1	ZINC000832398657	604305585	/nfs/dbraw/zinc/30/55/85/604305585.db2.gz	POPKNCLFQBUWDB-UHFFFAOYSA-N	-1	0	301.262	0.495	20	30		DCEDRM
CN1CCN(C(=O)c2ccc(C#N)s2)[C@H](CNC(=O)[O-])C1	ZINC000828513036	604396251	/nfs/dbraw/zinc/39/62/51/604396251.db2.gz	FQHTTWLUJMJHQU-SECBINFHSA-N	-1	0	308.363	0.644	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)nc1	ZINC000829979020	604495849	/nfs/dbraw/zinc/49/58/49/604495849.db2.gz	VXCSOPJLVAWERM-NSHDSACASA-N	-1	0	313.335	0.063	20	30		DCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000828350965	604693552	/nfs/dbraw/zinc/69/35/52/604693552.db2.gz	TVDBSMAZXMUZAH-CYBMUJFWSA-N	-1	0	303.318	0.895	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)nc1	ZINC000823467039	604723823	/nfs/dbraw/zinc/72/38/23/604723823.db2.gz	OVVZPXDUIKAFHE-MFKMUULPSA-N	-1	0	303.318	0.560	20	30		DCEDRM
N#Cc1cccc(CNC(=O)COC(=O)C2(NC(=O)[O-])CC2)c1	ZINC000831145888	604754419	/nfs/dbraw/zinc/75/44/19/604754419.db2.gz	DNBSERRPDGGPEW-UHFFFAOYSA-N	-1	0	317.301	0.518	20	30		DCEDRM
C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCO[C@H](C#N)C1	ZINC000826009506	604761621	/nfs/dbraw/zinc/76/16/21/604761621.db2.gz	YPGCTRQSYJTSSK-SMDDNHRTSA-N	-1	0	317.345	0.614	20	30		DCEDRM
CC(=NNC(=S)NCCC(C)C)c1cn(CC(=O)[O-])nn1	ZINC000825804671	604782818	/nfs/dbraw/zinc/78/28/18/604782818.db2.gz	SSNGLVLACKVECA-UHFFFAOYSA-N	-1	0	312.399	0.597	20	30		DCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c(F)c1	ZINC000831126468	604840034	/nfs/dbraw/zinc/84/00/34/604840034.db2.gz	GMXCGLHXDSEUKL-LBPRGKRZSA-N	-1	0	307.281	0.692	20	30		DCEDRM
N#CCCN(CCc1cn(CC(=O)[O-])nn1)Cc1ccccn1	ZINC000833760488	604916951	/nfs/dbraw/zinc/91/69/51/604916951.db2.gz	VREFVAVZRDGSSH-UHFFFAOYSA-N	-1	0	314.349	0.716	20	30		DCEDRM
C[C@H](NC(=O)[O-])C(=O)OCC(=O)Nc1ccc(CC#N)cc1	ZINC000833740082	604962418	/nfs/dbraw/zinc/96/24/18/604962418.db2.gz	BFYKRFGMZOXXEL-VIFPVBQESA-N	-1	0	305.290	0.890	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833374763	605033671	/nfs/dbraw/zinc/03/36/71/605033671.db2.gz	CNPBCXDNBJFCHF-UHFFFAOYSA-N	-1	0	309.322	0.371	20	30		DCEDRM
C#CCSCCNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000231960128	605088049	/nfs/dbraw/zinc/08/80/49/605088049.db2.gz	GQZONQDGYAHKPJ-UHFFFAOYSA-N	-1	0	300.380	0.533	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000833369619	605093254	/nfs/dbraw/zinc/09/32/54/605093254.db2.gz	BGRDVYGRVHKHDE-QMMMGPOBSA-N	-1	0	312.347	0.686	20	30		DCEDRM
C=CCOc1ccc(/C=C/C(=O)N[C@@H](CO)C(=O)[O-])cc1OC	ZINC000736114277	605279489	/nfs/dbraw/zinc/27/94/89/605279489.db2.gz	RGQXVJSDYCOGCC-PZBABLGHSA-N	-1	0	321.329	0.835	20	30		DCEDRM
CCn1c(=O)n(CC#CCOC)nc1C1CCN(C(=O)[O-])CC1	ZINC000833866466	605334292	/nfs/dbraw/zinc/33/42/92/605334292.db2.gz	HUPJXLKTFVCROO-UHFFFAOYSA-N	-1	0	322.365	0.572	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC000833366061	605500129	/nfs/dbraw/zinc/50/01/29/605500129.db2.gz	DMZZZTXSSSXPNT-UHFFFAOYSA-N	-1	0	324.358	0.768	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@@H](OC(=O)CNC(=O)[O-])C2=O)cc1	ZINC000833974525	605542295	/nfs/dbraw/zinc/54/22/95/605542295.db2.gz	UBCBKABRGRXYKL-GFCCVEGCSA-N	-1	0	317.301	0.864	20	30		DCEDRM
N#CCN1CCC(NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000739087307	605650453	/nfs/dbraw/zinc/65/04/53/605650453.db2.gz	XFUVPWXQXZUMQJ-LBPRGKRZSA-N	-1	0	309.370	0.416	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(=O)OC)nc1	ZINC000833368605	605652480	/nfs/dbraw/zinc/65/24/80/605652480.db2.gz	RRGIQFJPHCQQBN-DGCLKSJQSA-N	-1	0	316.313	0.541	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000739123033	605686549	/nfs/dbraw/zinc/68/65/49/605686549.db2.gz	LMAYSBGDZJJEMK-LBPRGKRZSA-N	-1	0	316.317	0.755	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)/C=C/c1ccc(O)c(O)c1	ZINC000833966942	605697946	/nfs/dbraw/zinc/69/79/46/605697946.db2.gz	OUWUEVVQMORVLT-FWEMWIAWSA-N	-1	0	317.301	0.825	20	30		DCEDRM
N#CC1(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CCOCC1	ZINC000831075711	605726538	/nfs/dbraw/zinc/72/65/38/605726538.db2.gz	CGAHYNNNUKQBGY-LLVKDONJSA-N	-1	0	311.338	0.334	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)/C=C\c1cncc(O)c1	ZINC000833967239	605734748	/nfs/dbraw/zinc/73/47/48/605734748.db2.gz	QKWVBZUSBOMJOE-BVBSBALXSA-N	-1	0	302.290	0.515	20	30		DCEDRM
COc1ccc(C#N)cc1COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000829260482	605813082	/nfs/dbraw/zinc/81/30/82/605813082.db2.gz	SXHZMMFDIQRLLP-NWDGAFQWSA-N	-1	0	320.301	0.723	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@H](NC(=O)CNC(=O)[O-])C2=O)cc1	ZINC000833973800	605819774	/nfs/dbraw/zinc/81/97/74/605819774.db2.gz	NIADNPOIEYVZPZ-LBPRGKRZSA-N	-1	0	316.317	0.437	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cnc2n1CCCC2	ZINC000833968636	605834526	/nfs/dbraw/zinc/83/45/26/605834526.db2.gz	WYVALZUFYHWAKL-JTQLQIEISA-N	-1	0	303.322	0.547	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCn2cncc2C1	ZINC000833965421	605843508	/nfs/dbraw/zinc/84/35/08/605843508.db2.gz	AMEHSIZXWJYUJU-PWSUYJOCSA-N	-1	0	303.322	0.160	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc2[nH]c(=O)oc21	ZINC000833967611	605879662	/nfs/dbraw/zinc/87/96/62/605879662.db2.gz	ROSVFFKHYPGDJG-QMMMGPOBSA-N	-1	0	316.273	0.861	20	30		DCEDRM
N#CCCN(CN1C[C@H](NC(=O)[O-])CC1=O)CC(F)(F)F	ZINC000833965988	605995727	/nfs/dbraw/zinc/99/57/27/605995727.db2.gz	XOSSULBVWRCVIP-MRVPVSSYSA-N	-1	0	308.260	0.590	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCCc3n[nH]cc32)[n-]c1-c1nn[nH]n1	ZINC000822815548	606908386	/nfs/dbraw/zinc/90/83/86/606908386.db2.gz	SSIPNLSETIBXIL-ZCFIWIBFSA-N	-1	0	324.308	0.243	20	30		DCEDRM
C[C@@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1ccncc1	ZINC000820225439	607192342	/nfs/dbraw/zinc/19/23/42/607192342.db2.gz	IXWWTNIPEZCIEO-QMMMGPOBSA-N	-1	0	323.320	0.989	20	30		DCEDRM
Cc1nscc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000826340066	609322561	/nfs/dbraw/zinc/32/25/61/609322561.db2.gz	GGTCWVFJYOLRQM-UHFFFAOYSA-N	-1	0	301.295	0.479	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CSc1nnnn1C1CCCC1	ZINC000048480468	658049433	/nfs/dbraw/zinc/04/94/33/658049433.db2.gz	VVJAKGZRGKRDFO-UHFFFAOYSA-N	-1	0	305.385	0.796	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2O)C1	ZINC000939394945	665570152	/nfs/dbraw/zinc/57/01/52/665570152.db2.gz	AZKTXSCAFDKOEN-GHMZBOCLSA-N	-1	0	302.334	0.620	20	30		DCEDRM
O=C(C#CC1CC1)N1CCC[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1	ZINC001023981050	658370780	/nfs/dbraw/zinc/37/07/80/658370780.db2.gz	HUUYZJFHSRIRJP-GFCCVEGCSA-N	-1	0	303.366	0.252	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCCC2	ZINC000892462510	658585849	/nfs/dbraw/zinc/58/58/49/658585849.db2.gz	QUWMKOJQEWCVTI-LBPRGKRZSA-N	-1	0	318.377	0.774	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893234820	659128083	/nfs/dbraw/zinc/12/80/83/659128083.db2.gz	IGWRFLVUPNIOBI-VIFPVBQESA-N	-1	0	308.787	0.632	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)CC=C(Cl)Cl	ZINC000893249906	659174818	/nfs/dbraw/zinc/17/48/18/659174818.db2.gz	GVPYTCHTXZQHDV-SSDOTTSWSA-N	-1	0	300.163	0.790	20	30		DCEDRM
C=CCNC(=O)CNCc1ncc(Br)cc1[O-]	ZINC000893318533	659358195	/nfs/dbraw/zinc/35/81/95/659358195.db2.gz	MXDOWMYWIWAJBW-UHFFFAOYSA-N	-1	0	300.156	0.942	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)CO1	ZINC000784539906	659574190	/nfs/dbraw/zinc/57/41/90/659574190.db2.gz	AALAFBTZASJROU-WDEREUQCSA-N	-1	0	300.380	0.941	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H](C)C#N)c1[O-]	ZINC000977567996	659770411	/nfs/dbraw/zinc/77/04/11/659770411.db2.gz	FEWWIIVIBFCWOY-SCZZXKLOSA-N	-1	0	305.338	0.256	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)c1[O-]	ZINC000937346740	661674813	/nfs/dbraw/zinc/67/48/13/661674813.db2.gz	CIEIGQPALLOJQV-GFCCVEGCSA-N	-1	0	316.361	0.510	20	30		DCEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)cc1	ZINC000048519058	661924786	/nfs/dbraw/zinc/92/47/86/661924786.db2.gz	UKKMGCFIMZACGP-NSHDSACASA-N	-1	0	301.320	0.756	20	30		DCEDRM
CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)CSCC#N	ZINC000048520081	661925968	/nfs/dbraw/zinc/92/59/68/661925968.db2.gz	UQZIWZCFTSZPNL-UHFFFAOYSA-N	-1	0	313.404	0.736	20	30		DCEDRM
COCCOCCC(=O)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000049135095	662050903	/nfs/dbraw/zinc/05/09/03/662050903.db2.gz	CNEWFXNVMKRPEW-UHFFFAOYSA-N	-1	0	306.340	0.990	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccn(CCn2cccn2)n1	ZINC000909516744	662171095	/nfs/dbraw/zinc/17/10/95/662171095.db2.gz	PLJSIYCAEWWXLL-UHFFFAOYSA-N	-1	0	303.322	0.493	20	30		DCEDRM
C[C@@H]1[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000986131645	662559830	/nfs/dbraw/zinc/55/98/30/662559830.db2.gz	IXDSXDKRNDOYIV-SCZZXKLOSA-N	-1	0	315.337	0.103	20	30		DCEDRM
C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C	ZINC000986488616	662593629	/nfs/dbraw/zinc/59/36/29/662593629.db2.gz	QKDPTOICXDUDCI-YUMQZZPRSA-N	-1	0	313.745	0.228	20	30		DCEDRM
Cc1c(S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)cnn1C	ZINC000899925977	663201202	/nfs/dbraw/zinc/20/12/02/663201202.db2.gz	ILVIFXOEAUQUJM-LLVKDONJSA-N	-1	0	311.363	0.217	20	30		DCEDRM
C=CCN(CC=C)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC000901833470	663369379	/nfs/dbraw/zinc/36/93/79/663369379.db2.gz	XETFVBOWSUCDFC-UHFFFAOYSA-N	-1	0	301.364	0.467	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC000902438886	663414232	/nfs/dbraw/zinc/41/42/32/663414232.db2.gz	ZJFSLKBGPAXIIE-RYUDHWBXSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(C)cnc1Cl	ZINC000905998241	663594736	/nfs/dbraw/zinc/59/47/36/663594736.db2.gz	UTYVFFFZCYZOSI-UHFFFAOYSA-N	-1	0	302.739	0.752	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCO[C@H](CC)C1)C(=O)[O-]	ZINC000908999585	663778232	/nfs/dbraw/zinc/77/82/32/663778232.db2.gz	ZTHWRKZWKAZALE-UTUOFQBUSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C#CCSCCNC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000909051714	663779832	/nfs/dbraw/zinc/77/98/32/663779832.db2.gz	FKRRSTKMDSJUQI-RYUDHWBXSA-N	-1	0	314.407	0.922	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1OC)C(=O)[O-]	ZINC000909193776	663786296	/nfs/dbraw/zinc/78/62/96/663786296.db2.gz	LFGMCXXWGRQWOB-WRWGMCAJSA-N	-1	0	300.355	0.897	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@](CC)(COC)C(=O)[O-]	ZINC000909238038	663788691	/nfs/dbraw/zinc/78/86/91/663788691.db2.gz	MYQFYZOCGNILRE-COPLHBTASA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1scnc1COC)C(=O)[O-]	ZINC000909769678	663800547	/nfs/dbraw/zinc/80/05/47/663800547.db2.gz	BCBWJQXTCVEXOX-VIFPVBQESA-N	-1	0	300.336	0.675	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1	ZINC000909832503	663811203	/nfs/dbraw/zinc/81/12/03/663811203.db2.gz	SLJAWRRUCYLYBL-MQJDWESPSA-N	-1	0	317.407	0.792	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCCn1c(C)cc(=O)cc1C)C(=O)[O-]	ZINC000910051719	663836810	/nfs/dbraw/zinc/83/68/10/663836810.db2.gz	ZGVAYDLAICSGSN-CQSZACIVSA-N	-1	0	304.346	0.838	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(F)ccc1N1CCOCC1)C(=O)[O-]	ZINC000910051009	663836985	/nfs/dbraw/zinc/83/69/85/663836985.db2.gz	DEJOYJZKFFKXFT-CYBMUJFWSA-N	-1	0	320.320	0.869	20	30		DCEDRM
C=C[C@](C)(O)C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F	ZINC000910351779	663876682	/nfs/dbraw/zinc/87/66/82/663876682.db2.gz	PRJOBXHCPTXHRM-MUWHJKNJSA-N	-1	0	301.286	0.788	20	30		DCEDRM
C#C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)c1ccccc1	ZINC000911500952	664065669	/nfs/dbraw/zinc/06/56/69/664065669.db2.gz	PFNQPVQBHFLJBX-LBPRGKRZSA-N	-1	0	300.318	0.960	20	30		DCEDRM
C#C[C@@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1CCOCC1	ZINC000911789772	664109533	/nfs/dbraw/zinc/10/95/33/664109533.db2.gz	HXGJIEGLHOFOBQ-BFHYXJOUSA-N	-1	0	309.362	0.801	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1	ZINC000732611871	664948832	/nfs/dbraw/zinc/94/88/32/664948832.db2.gz	XUMYPYIMPAZUPU-UHFFFAOYSA-N	-1	0	305.768	0.797	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])cn1C	ZINC000916871495	665098085	/nfs/dbraw/zinc/09/80/85/665098085.db2.gz	WGTFXUJZWVCPOS-JTQLQIEISA-N	-1	0	308.294	0.408	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc([S@](C)=O)cc1	ZINC000916893106	665099941	/nfs/dbraw/zinc/09/99/41/665099941.db2.gz	WJJYOXAYFVACRM-GTJPDFRWSA-N	-1	0	308.359	0.509	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2nnc(C)n2c1	ZINC000733678948	666797149	/nfs/dbraw/zinc/79/71/49/666797149.db2.gz	PCWXQKYXYMFLAA-NSHDSACASA-N	-1	0	301.306	0.123	20	30		DCEDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000734090708	666848402	/nfs/dbraw/zinc/84/84/02/666848402.db2.gz	XURBTTZGTZJTLC-UHFFFAOYSA-N	-1	0	324.358	0.765	20	30		DCEDRM
C#CC1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1	ZINC000862100521	667016851	/nfs/dbraw/zinc/01/68/51/667016851.db2.gz	VUZBZGNAQFQTAT-UHFFFAOYSA-N	-1	0	307.375	0.939	20	30		DCEDRM
O=C([O-])c1cc(C=NN[C@H]2CCCS(=O)(=O)C2)ccc1O	ZINC000863135082	667113560	/nfs/dbraw/zinc/11/35/60/667113560.db2.gz	SEOLTRDZAHBEOO-JTQLQIEISA-N	-1	0	312.347	0.591	20	30		DCEDRM
CC(=NNC1=NCC(=O)N1)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000863177872	667116436	/nfs/dbraw/zinc/11/64/36/667116436.db2.gz	YMVGODDZOMAGDS-SECBINFHSA-N	-1	0	304.306	0.338	20	30		DCEDRM
O=C([O-])Cn1cc(C=NNCCCOCc2ccccc2)nn1	ZINC000863178303	667116560	/nfs/dbraw/zinc/11/65/60/667116560.db2.gz	KZQUCZFTWHVGEQ-UHFFFAOYSA-N	-1	0	317.349	0.893	20	30		DCEDRM
CCn1[n-]nnc1=NC(=O)N1CCc2c(CC#N)cccc2C1	ZINC000888320920	667161445	/nfs/dbraw/zinc/16/14/45/667161445.db2.gz	BYDHNAHOHQZQQK-UHFFFAOYSA-N	-1	0	311.349	0.771	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)nc1	ZINC000863734486	667173746	/nfs/dbraw/zinc/17/37/46/667173746.db2.gz	RLSMLOSODXNMOC-YPMHNXCESA-N	-1	0	301.346	0.992	20	30		DCEDRM
C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)CC[C@H]1C(=O)[O-]	ZINC000863735063	667173881	/nfs/dbraw/zinc/17/38/81/667173881.db2.gz	YSRYDNGGVBTXNJ-BXKDBHETSA-N	-1	0	323.374	0.753	20	30		DCEDRM
N#C[C@]12CN(C(=O)c3cccc(F)c3[O-])C[C@@H]1CS(=O)(=O)C2	ZINC000886200945	667741151	/nfs/dbraw/zinc/74/11/51/667741151.db2.gz	JMRBQFNJJKDZOA-YMTOWFKASA-N	-1	0	324.333	0.542	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cccc3c2oc(=O)n3C)CC1	ZINC000870834242	667764886	/nfs/dbraw/zinc/76/48/86/667764886.db2.gz	SNJHXHIYTOJTCI-UHFFFAOYSA-N	-1	0	322.342	0.910	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COCC(=O)OC(C)(C)C)CC1	ZINC000870838542	667765318	/nfs/dbraw/zinc/76/53/18/667765318.db2.gz	DXEQIXXOSVDILF-UHFFFAOYSA-N	-1	0	319.379	0.509	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2nccn3cc(C)nc23)CC1	ZINC000870836972	667765379	/nfs/dbraw/zinc/76/53/79/667765379.db2.gz	TUAJHHMGJOWBEC-UHFFFAOYSA-N	-1	0	306.347	0.816	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000871939954	667858482	/nfs/dbraw/zinc/85/84/82/667858482.db2.gz	LBDVIKVBQOHZTA-UHFFFAOYSA-N	-1	0	303.361	0.683	20	30		DCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1	ZINC000871951557	667859573	/nfs/dbraw/zinc/85/95/73/667859573.db2.gz	QRQXKKOWHMLUEB-JTQLQIEISA-N	-1	0	311.359	0.965	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)CCn2cc[nH]c(=O)c2=O)c1	ZINC000748411792	667926973	/nfs/dbraw/zinc/92/69/73/667926973.db2.gz	YVQZKISHAYZVKV-UHFFFAOYSA-N	-1	0	300.274	0.143	20	30		DCEDRM
CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000755586731	668062569	/nfs/dbraw/zinc/06/25/69/668062569.db2.gz	ZBQAVUUSMUOMJG-ZDUSSCGKSA-N	-1	0	323.374	0.084	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2nnn(C)c2c1	ZINC000755741533	668065293	/nfs/dbraw/zinc/06/52/93/668065293.db2.gz	XJXGIPRRUWWPBU-SNVBAGLBSA-N	-1	0	308.301	0.907	20	30		DCEDRM
C#C[C@H](NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1)[C@H]1CCCO1	ZINC000874397719	668180256	/nfs/dbraw/zinc/18/02/56/668180256.db2.gz	APARMCHFQQGFDN-YWPYICTPSA-N	-1	0	310.350	0.300	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(S(N)(=O)=O)o2)c1	ZINC000759714115	668233018	/nfs/dbraw/zinc/23/30/18/668233018.db2.gz	UPFIQIZPGUDMEB-UHFFFAOYSA-N	-1	0	307.287	0.757	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CNC(=O)c1ccc2c(c1)OCO2	ZINC000762020338	668343450	/nfs/dbraw/zinc/34/34/50/668343450.db2.gz	FTHVEHXXILGQSI-UHFFFAOYSA-N	-1	0	320.301	0.244	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)S(=O)(=O)C1CCOCC1	ZINC000762047962	668344819	/nfs/dbraw/zinc/34/48/19/668344819.db2.gz	QTDUIRQBIZJRIJ-JTQLQIEISA-N	-1	0	319.379	0.068	20	30		DCEDRM
C=CCN(CC=C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000926280282	668389850	/nfs/dbraw/zinc/38/98/50/668389850.db2.gz	BZHOTCOXIWMZSD-QWHCGFSZSA-N	-1	0	306.362	0.756	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CCSC[C@H]2c2nnn[n-]2)cc1	ZINC000763008302	668390099	/nfs/dbraw/zinc/39/00/99/668390099.db2.gz	QDSSGAKTKDEOBT-LBPRGKRZSA-N	-1	0	314.374	0.931	20	30		DCEDRM
COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1cc(C#N)cn1C	ZINC000764309333	668443464	/nfs/dbraw/zinc/44/34/64/668443464.db2.gz	HGWGAKWHBLLGMM-UHFFFAOYSA-N	-1	0	313.379	0.771	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCCO1	ZINC000766978697	668555453	/nfs/dbraw/zinc/55/54/53/668555453.db2.gz	BHSNOMDGYBQSPL-CQSZACIVSA-N	-1	0	324.358	0.941	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCO1	ZINC000766986717	668556166	/nfs/dbraw/zinc/55/61/66/668556166.db2.gz	JLVIIJWRJFIXRC-LLVKDONJSA-N	-1	0	324.358	0.941	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)c(F)c1	ZINC000768762416	668620133	/nfs/dbraw/zinc/62/01/33/668620133.db2.gz	HBSHRDMROMPKJF-NSHDSACASA-N	-1	0	322.292	0.697	20	30		DCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)nn1	ZINC000768850104	668624742	/nfs/dbraw/zinc/62/47/42/668624742.db2.gz	YLTXXRHRPQWECR-NSCUHMNNSA-N	-1	0	301.258	0.988	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(S(=O)(=O)C(C)C)c1	ZINC000770845304	668719705	/nfs/dbraw/zinc/71/97/05/668719705.db2.gz	AMJMBTULTTVBPK-LBPRGKRZSA-N	-1	0	308.359	0.937	20	30		DCEDRM
Cn1cccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c1=O	ZINC000771077188	668730226	/nfs/dbraw/zinc/73/02/26/668730226.db2.gz	SMLMAIUHALSCOS-UHFFFAOYSA-N	-1	0	309.347	0.139	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc2c([nH]c1=O)CCCC2=O	ZINC000772709958	668781959	/nfs/dbraw/zinc/78/19/59/668781959.db2.gz	JQJCIYSBTHROGO-UHFFFAOYSA-N	-1	0	310.331	0.552	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc(OC)n(C)n1	ZINC000773971680	668818508	/nfs/dbraw/zinc/81/85/08/668818508.db2.gz	WPGPSLGLUYHZAG-SNVBAGLBSA-N	-1	0	308.338	0.294	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccncc1	ZINC000774248205	668828014	/nfs/dbraw/zinc/82/80/14/668828014.db2.gz	BRSFWSCIHDQLRI-UHFFFAOYSA-N	-1	0	306.347	0.728	20	30		DCEDRM
C=CCN(CC(=O)OCC)C(=O)c1c[n-]n2c1nccc2=O	ZINC000774460138	668834314	/nfs/dbraw/zinc/83/43/14/668834314.db2.gz	JKCYOWFBQATWOC-UHFFFAOYSA-N	-1	0	304.306	0.214	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)cc1	ZINC000776119445	668871179	/nfs/dbraw/zinc/87/11/79/668871179.db2.gz	NQUQDIJBULVGEA-UHFFFAOYSA-N	-1	0	319.346	0.631	20	30		DCEDRM
Cc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776138530	668871581	/nfs/dbraw/zinc/87/15/81/668871581.db2.gz	OBAMVNRVAWOBNA-UHFFFAOYSA-N	-1	0	318.786	0.991	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(NC(N)=O)cc1	ZINC000776138251	668871622	/nfs/dbraw/zinc/87/16/22/668871622.db2.gz	GUGGOXVJILEZDN-UHFFFAOYSA-N	-1	0	324.362	0.787	20	30		DCEDRM
Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776138127	668871736	/nfs/dbraw/zinc/87/17/36/668871736.db2.gz	XGSMMUHJBOSPMR-UHFFFAOYSA-N	-1	0	312.395	0.575	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	ZINC000776597334	668879070	/nfs/dbraw/zinc/87/90/70/668879070.db2.gz	OWEKTPZKFOADLC-NSHDSACASA-N	-1	0	306.384	0.351	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(OCCOC)c1	ZINC000777302024	668886196	/nfs/dbraw/zinc/88/61/96/668886196.db2.gz	IKHCOWWXWPRXDP-GFCCVEGCSA-N	-1	0	321.333	0.192	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000778691876	668902791	/nfs/dbraw/zinc/90/27/91/668902791.db2.gz	GINXJNYQZKUQGW-XQQFMLRXSA-N	-1	0	318.439	0.752	20	30		DCEDRM
Cc1[n-]n2c(nc3ccccc3c2=O)c1C=NNC1=NC[C@@H](C)N1	ZINC000779792087	668936388	/nfs/dbraw/zinc/93/63/88/668936388.db2.gz	IXUIKSCNDASVGM-SECBINFHSA-N	-1	0	323.360	0.755	20	30		DCEDRM
Cc1[n-]n2c(nc3ccccc3c2=O)c1C=NNC1=NC[C@H](C)N1	ZINC000779792091	668937260	/nfs/dbraw/zinc/93/72/60/668937260.db2.gz	IXUIKSCNDASVGM-VIFPVBQESA-N	-1	0	323.360	0.755	20	30		DCEDRM
C=CCCOCCCCC(=O)[N-]S(=O)(=O)c1cnnn1C	ZINC000781732973	669058871	/nfs/dbraw/zinc/05/88/71/669058871.db2.gz	WCJVMFWBSUFRRN-UHFFFAOYSA-N	-1	0	316.383	0.383	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCC1=O	ZINC000783428168	669158023	/nfs/dbraw/zinc/15/80/23/669158023.db2.gz	IADCBXLGGNKZSU-UWVGGRQHSA-N	-1	0	300.380	0.987	20	30		DCEDRM
CCC[C@@](C)(O)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000784281121	669197295	/nfs/dbraw/zinc/19/72/95/669197295.db2.gz	GBSSWIXYEVMOPT-CQSZACIVSA-N	-1	0	304.306	0.901	20	30		DCEDRM
CC(C)[C@](C)(O)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000784785258	669221409	/nfs/dbraw/zinc/22/14/09/669221409.db2.gz	PZYANVYHQJVHGL-AWEZNQCLSA-N	-1	0	304.306	0.757	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(N)=O)C1	ZINC000786972807	669345297	/nfs/dbraw/zinc/34/52/97/669345297.db2.gz	FSRIRZKMDBVCNP-ZJUUUORDSA-N	-1	0	315.395	0.274	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)CCCCC(N)=O)c1	ZINC000788180081	669420558	/nfs/dbraw/zinc/42/05/58/669420558.db2.gz	LNZBBPIRXJWBMQ-UHFFFAOYSA-N	-1	0	309.347	0.409	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(Br)c(OC)c1	ZINC000788348747	669433210	/nfs/dbraw/zinc/43/32/10/669433210.db2.gz	LNFDNQWUNQUGKT-SSDOTTSWSA-N	-1	0	312.123	0.921	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)c2cccn21	ZINC000789468424	669497300	/nfs/dbraw/zinc/49/73/00/669497300.db2.gz	HDXBIHOYJRHCQR-NSHDSACASA-N	-1	0	309.347	0.755	20	30		DCEDRM
C#C[C@@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[C@H]1CCCO1	ZINC000790036039	669532200	/nfs/dbraw/zinc/53/22/00/669532200.db2.gz	NYCAKTGJEWGZPB-MXWKQRLJSA-N	-1	0	320.311	0.987	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)c2cc(F)cc(F)c2[O-])CC1	ZINC000934788021	669640173	/nfs/dbraw/zinc/64/01/73/669640173.db2.gz	HUTVBVSKGWXWEZ-UHFFFAOYSA-N	-1	0	309.272	0.868	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COc1ccccc1OCC	ZINC000810783868	669684925	/nfs/dbraw/zinc/68/49/25/669684925.db2.gz	IGGOXBZZQDNSLE-UHFFFAOYSA-N	-1	0	311.359	0.933	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(F)c(S(C)(=O)=O)c1	ZINC000793122331	669701921	/nfs/dbraw/zinc/70/19/21/669701921.db2.gz	AUGUZPMGKKXIOP-SNVBAGLBSA-N	-1	0	324.333	0.854	20	30		DCEDRM
COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194685	669706783	/nfs/dbraw/zinc/70/67/83/669706783.db2.gz	VBNULZFVXQJVRI-UHFFFAOYSA-N	-1	0	309.347	0.762	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COCc2ccccc2)CC1	ZINC000793205784	669707460	/nfs/dbraw/zinc/70/74/60/669707460.db2.gz	ZMUZDYQIHBUBMH-UHFFFAOYSA-N	-1	0	308.359	0.953	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccn(C(F)F)n2)CC1	ZINC000793204818	669707586	/nfs/dbraw/zinc/70/75/86/669707586.db2.gz	QYSOECYNGZFAAS-UHFFFAOYSA-N	-1	0	304.278	0.642	20	30		DCEDRM
Cn1ncc2c1C[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)CC2	ZINC000793212783	669708328	/nfs/dbraw/zinc/70/83/28/669708328.db2.gz	VKZLBLXAXXJNMD-SNVBAGLBSA-N	-1	0	322.390	0.275	20	30		DCEDRM
Cn1ncc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)n1	ZINC000793281618	669711439	/nfs/dbraw/zinc/71/14/39/669711439.db2.gz	URVZBSKZBJWHLI-VIFPVBQESA-N	-1	0	319.271	0.732	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn(CCC(C)C)nn1	ZINC000158672654	669928108	/nfs/dbraw/zinc/92/81/08/669928108.db2.gz	HCDRFVDDRVHWSU-GFCCVEGCSA-N	-1	0	321.381	0.799	20	30		DCEDRM
Cc1c(CC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cnn1C	ZINC000796713067	669940038	/nfs/dbraw/zinc/94/00/38/669940038.db2.gz	PJYSDWWFVAGBJS-UHFFFAOYSA-N	-1	0	318.358	0.648	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)[nH]1	ZINC000796740330	669941719	/nfs/dbraw/zinc/94/17/19/669941719.db2.gz	KFAUKOZTYHZIGP-VIFPVBQESA-N	-1	0	307.306	0.276	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1CCC(OCCOC)CC1	ZINC000796791853	669943196	/nfs/dbraw/zinc/94/31/96/669943196.db2.gz	FUPYFGFPDRFBDC-UHFFFAOYSA-N	-1	0	305.396	0.840	20	30		DCEDRM
N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796881551	669946414	/nfs/dbraw/zinc/94/64/14/669946414.db2.gz	GYUACMIYCAPZNC-UHFFFAOYSA-N	-1	0	304.331	0.523	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)CC1	ZINC000797956629	669981985	/nfs/dbraw/zinc/98/19/85/669981985.db2.gz	LZHRBRJAJSRPRY-XYPYZODXSA-N	-1	0	316.379	0.716	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)C(C)C)CC1	ZINC000798203468	669991974	/nfs/dbraw/zinc/99/19/74/669991974.db2.gz	ZYJQDMDJVYRRHP-UHFFFAOYSA-N	-1	0	314.407	0.350	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(N2CCCC2=O)c1	ZINC000798203259	669992200	/nfs/dbraw/zinc/99/22/00/669992200.db2.gz	WAUWARYQOVNTFN-UHFFFAOYSA-N	-1	0	320.370	0.896	20	30		DCEDRM
C#CCC[C@@H](O)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000798488582	670006921	/nfs/dbraw/zinc/00/69/21/670006921.db2.gz	UEUNTZIWCUZGRU-SECBINFHSA-N	-1	0	316.310	0.787	20	30		DCEDRM
COC(=O)c1ccc(O)c(C=NNCCCN2CCOCC2)c1	ZINC000799492098	670061784	/nfs/dbraw/zinc/06/17/84/670061784.db2.gz	PUGJPDDCCJVCMW-UHFFFAOYSA-N	-1	0	321.377	0.825	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nc1	ZINC000806566491	670321582	/nfs/dbraw/zinc/32/15/82/670321582.db2.gz	IKJNLGLPGBPHPB-UHFFFAOYSA-N	-1	0	306.303	0.458	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-]	ZINC000806636558	670324515	/nfs/dbraw/zinc/32/45/15/670324515.db2.gz	QCNGCPXASTZFBF-VIFPVBQESA-N	-1	0	307.368	0.524	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC000951865648	670393875	/nfs/dbraw/zinc/39/38/75/670393875.db2.gz	WMMLLXRULLVFDQ-WCBMZHEXSA-N	-1	0	305.338	0.304	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC(=O)N2)c1	ZINC000808977665	670433090	/nfs/dbraw/zinc/43/30/90/670433090.db2.gz	SUDQUESMKWFENE-LLVKDONJSA-N	-1	0	321.358	0.422	20	30		DCEDRM
CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)c1	ZINC000810642189	670492179	/nfs/dbraw/zinc/49/21/79/670492179.db2.gz	OHJBEIDORHFXJK-UHFFFAOYSA-N	-1	0	319.346	0.849	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)C	ZINC000810771490	670496748	/nfs/dbraw/zinc/49/67/48/670496748.db2.gz	LBIADTPJYIFAAA-LLVKDONJSA-N	-1	0	300.380	0.103	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CN1C(=O)CCc2ccccc21	ZINC000810773620	670497012	/nfs/dbraw/zinc/49/70/12/670497012.db2.gz	CWDQFRDKCZXKMF-UHFFFAOYSA-N	-1	0	320.370	0.435	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](CCCC)NC(=O)NCC	ZINC000810776745	670497137	/nfs/dbraw/zinc/49/71/37/670497137.db2.gz	GVYFEZKKZCQWEX-NSHDSACASA-N	-1	0	317.411	0.334	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(O[C@H]2CCOC2)cc1	ZINC000810776162	670497167	/nfs/dbraw/zinc/49/71/67/670497167.db2.gz	IROHUPIGSOYRQU-AWEZNQCLSA-N	-1	0	323.370	0.937	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COc1ccc(OCC)cc1	ZINC000810776598	670497218	/nfs/dbraw/zinc/49/72/18/670497218.db2.gz	ZSXPKOIBZCLITD-UHFFFAOYSA-N	-1	0	311.359	0.933	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccc(F)cc2)n1	ZINC000810776395	670497223	/nfs/dbraw/zinc/49/72/23/670497223.db2.gz	RHKMDYSRPXYXIG-UHFFFAOYSA-N	-1	0	322.321	0.489	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1c(CC)nn(C)c1CC	ZINC000810780634	670497479	/nfs/dbraw/zinc/49/74/79/670497479.db2.gz	KQHPWJCMZXRUQM-UHFFFAOYSA-N	-1	0	311.407	0.557	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CNC(=O)CC1CCCCC1	ZINC000810782499	670497729	/nfs/dbraw/zinc/49/77/29/670497729.db2.gz	OFXYCQRCJBIWLP-UHFFFAOYSA-N	-1	0	314.407	0.542	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(-n2ccnn2)c1	ZINC000810785718	670497996	/nfs/dbraw/zinc/49/79/96/670497996.db2.gz	OVNAMXKBJVZZMG-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	ZINC000810783919	670498038	/nfs/dbraw/zinc/49/80/38/670498038.db2.gz	KCVFUTWGFDRRHJ-UHFFFAOYSA-N	-1	0	320.370	0.999	20	30		DCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccn2)n1	ZINC000810804151	670498192	/nfs/dbraw/zinc/49/81/92/670498192.db2.gz	IFQHUTVQOYZIKQ-UHFFFAOYSA-N	-1	0	302.315	0.608	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(OC)cc1	ZINC000810786629	670498325	/nfs/dbraw/zinc/49/83/25/670498325.db2.gz	QLKRNHRVWZEJGA-LLVKDONJSA-N	-1	0	311.359	0.932	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1c(C)onc1N)OCC	ZINC000810828258	670498532	/nfs/dbraw/zinc/49/85/32/670498532.db2.gz	LOCRYUOJLDBAMQ-SECBINFHSA-N	-1	0	317.367	0.741	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O)CC1	ZINC000810981713	670501846	/nfs/dbraw/zinc/50/18/46/670501846.db2.gz	HOQCQWLUEOMYFM-UHFFFAOYSA-N	-1	0	309.409	0.366	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C2CC(F)(F)C2)c1	ZINC000813980689	670667305	/nfs/dbraw/zinc/66/73/05/670667305.db2.gz	GGHILXNETXDDHT-UHFFFAOYSA-N	-1	0	301.274	0.803	20	30		DCEDRM
Cc1ncc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)c(C)n1	ZINC000813980706	670667352	/nfs/dbraw/zinc/66/73/52/670667352.db2.gz	GWIFUHHDYSXOEO-UHFFFAOYSA-N	-1	0	317.330	0.479	20	30		DCEDRM
CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000813981543	670667684	/nfs/dbraw/zinc/66/76/84/670667684.db2.gz	QHKJEUVVSUQFRI-UHFFFAOYSA-N	-1	0	323.330	0.101	20	30		DCEDRM
O=C1[N-]C(=O)C(=NNc2cc(C(F)(F)F)ccc2F)C(=O)N1	ZINC000814224258	670681780	/nfs/dbraw/zinc/68/17/80/670681780.db2.gz	FEGVTJSGNCCGTG-UHFFFAOYSA-N	-1	0	318.186	0.978	20	30		DCEDRM
CCn1ncn(N=Cc2ccc(OCC(=O)[O-])c(OC)c2)c1=O	ZINC000814234278	670682639	/nfs/dbraw/zinc/68/26/39/670682639.db2.gz	UZKPSBNTBVAAOY-UHFFFAOYSA-N	-1	0	320.305	0.419	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)N(C)CC2	ZINC000849219132	670765801	/nfs/dbraw/zinc/76/58/01/670765801.db2.gz	JEZIXTXTLFZIAD-UHFFFAOYSA-N	-1	0	308.359	0.387	20	30		DCEDRM
C=CCCO[N-]C(=O)CSc1nnnn1CC(F)(F)F	ZINC000856031018	670776965	/nfs/dbraw/zinc/77/69/65/670776965.db2.gz	AYCWAPLPNRBOBZ-UHFFFAOYSA-N	-1	0	311.289	0.951	20	30		DCEDRM
N#Cc1ccc(NCC(=O)[N-]OCCN2CCCC2=O)nc1	ZINC000856042101	670780320	/nfs/dbraw/zinc/78/03/20/670780320.db2.gz	SIJMYVYYNQBOEW-UHFFFAOYSA-N	-1	0	303.322	0.035	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(c2cccc(S(N)(=O)=O)c2C#N)C1	ZINC000817864754	670949286	/nfs/dbraw/zinc/94/92/86/670949286.db2.gz	DDPMJKAULKGPQC-ZJUUUORDSA-N	-1	0	323.374	0.753	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)N2CCOCC2)CCCCC1	ZINC000850862440	670950744	/nfs/dbraw/zinc/95/07/44/670950744.db2.gz	OHFRHRCREIQRFJ-UHFFFAOYSA-N	-1	0	315.395	0.544	20	30		DCEDRM
Cn1ncc(Cl)c1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000850940091	670956449	/nfs/dbraw/zinc/95/64/49/670956449.db2.gz	HTBWIQKJJQXQBI-UHFFFAOYSA-N	-1	0	302.743	0.437	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](CCC(C)C)NC(C)=O	ZINC000850999602	670960248	/nfs/dbraw/zinc/96/02/48/670960248.db2.gz	GUYASXUUECSKKA-GFCCVEGCSA-N	-1	0	302.396	0.397	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)C[C@@H](n1cccn1)C(F)(F)F	ZINC000851016619	670961560	/nfs/dbraw/zinc/96/15/60/670961560.db2.gz	YZRAXZQMSRYZDX-MRVPVSSYSA-N	-1	0	324.284	0.736	20	30		DCEDRM
COCC(COC)S(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000851502697	670993950	/nfs/dbraw/zinc/99/39/50/670993950.db2.gz	REUCUZXGCBVQCP-UHFFFAOYSA-N	-1	0	316.335	0.181	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC2(C#N)CCCCC2)C1	ZINC000851683432	671012407	/nfs/dbraw/zinc/01/24/07/671012407.db2.gz	GAMQVIRXZGVVKL-OAHLLOKOSA-N	-1	0	321.377	0.900	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000851686941	671014115	/nfs/dbraw/zinc/01/41/15/671014115.db2.gz	KMEWTVDEARZSFR-AWEZNQCLSA-N	-1	0	320.389	0.725	20	30		DCEDRM
CN(CCC(=O)[O-])Cc1nc2ccccc2c(=O)n1CC#N	ZINC000818467785	671017739	/nfs/dbraw/zinc/01/77/39/671017739.db2.gz	XSJHLPYMWNYXSP-UHFFFAOYSA-N	-1	0	300.318	0.827	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)N[C@H]3C=CCC3)C2)c(=O)[n-]c1=O	ZINC000858607303	671020278	/nfs/dbraw/zinc/02/02/78/671020278.db2.gz	CGUVWAVVJIHYSK-JTQLQIEISA-N	-1	0	301.306	0.105	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)C[C@H](OCC)C1CC1)C(=O)OC	ZINC000859187801	671080470	/nfs/dbraw/zinc/08/04/70/671080470.db2.gz	SZPOGCVQJVJZCS-RYUDHWBXSA-N	-1	0	303.380	0.286	20	30		DCEDRM
COC(=O)[C@H](c1ccc(C#N)cc1)N(C)Cc1n[n-]c(=O)o1	ZINC000852189131	671103110	/nfs/dbraw/zinc/10/31/10/671103110.db2.gz	XBEXAYIPMRVQCW-LBPRGKRZSA-N	-1	0	302.290	0.993	20	30		DCEDRM
O=C(Cc1ccn(-c2ccccc2)n1)N[C@@H]1CCN(O)C1=O	ZINC000820147889	671171835	/nfs/dbraw/zinc/17/18/35/671171835.db2.gz	ADRVKGGJCLRGDM-CYBMUJFWSA-N	-1	0	300.318	0.521	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nn(C)c2ccccc21	ZINC000860470069	671211975	/nfs/dbraw/zinc/21/19/75/671211975.db2.gz	WPUBESXGAWKKKH-LLVKDONJSA-N	-1	0	300.318	0.658	20	30		DCEDRM
CC(=NNCC(=O)[O-])[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000853350827	671228377	/nfs/dbraw/zinc/22/83/77/671228377.db2.gz	PEBLFYAVRGXNTH-JTQLQIEISA-N	-1	0	301.343	0.672	20	30		DCEDRM
COC1CC(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)C1	ZINC000860683717	671229527	/nfs/dbraw/zinc/22/95/27/671229527.db2.gz	IYAHZYMTPNPWKQ-UHFFFAOYSA-N	-1	0	312.322	0.927	20	30		DCEDRM
C#C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)[C@@H]1CCCO1	ZINC000860943060	671252213	/nfs/dbraw/zinc/25/22/13/671252213.db2.gz	QIXRGHQPKDPUPB-NEPJUHHUSA-N	-1	0	323.374	0.364	20	30		DCEDRM
C#CCNC(=O)COC(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1	ZINC000823456570	671395305	/nfs/dbraw/zinc/39/53/05/671395305.db2.gz	NTBOVWLTXFVSNN-LLVKDONJSA-N	-1	0	310.350	0.695	20	30		DCEDRM
C#CCCN(CCOC)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC000824747697	671439649	/nfs/dbraw/zinc/43/96/49/671439649.db2.gz	GTRNPUHBFNKCOA-UHFFFAOYSA-N	-1	0	314.349	0.187	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1nc(-c2ccco2)no1	ZINC000826383249	671487175	/nfs/dbraw/zinc/48/71/75/671487175.db2.gz	RJNVGIIXRXYAMW-UHFFFAOYSA-N	-1	0	309.249	0.626	20	30		DCEDRM
C[C@H]1CC(=NC(=O)c2cc(C(=O)N=C3C[C@H](C)ON3)[n-]n2)NO1	ZINC000831399671	671667679	/nfs/dbraw/zinc/66/76/79/671667679.db2.gz	QGAYJHAZBMBAIB-BQBZGAKWSA-N	-1	0	320.309	0.114	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1	ZINC000835124567	671788125	/nfs/dbraw/zinc/78/81/25/671788125.db2.gz	SBJLNGQPKWNOCZ-LBPRGKRZSA-N	-1	0	322.386	0.444	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1	ZINC000835249064	671791620	/nfs/dbraw/zinc/79/16/20/671791620.db2.gz	LQHUTSQJFJTUGD-MNOVXSKESA-N	-1	0	313.379	0.860	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2cc(C#N)[nH]c2C)nc1C	ZINC000835264460	671792068	/nfs/dbraw/zinc/79/20/68/671792068.db2.gz	IMJAYMLJQVLGCU-UHFFFAOYSA-N	-1	0	321.362	0.838	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)CCC(F)(F)F	ZINC000835384563	671795243	/nfs/dbraw/zinc/79/52/43/671795243.db2.gz	WXSGERPIBMGVRO-UHFFFAOYSA-N	-1	0	309.269	0.909	20	30		DCEDRM
C#CC[C@@H](NC(=O)CSc1n[n-]c(=S)s1)C(=O)OC	ZINC000837942974	671887375	/nfs/dbraw/zinc/88/73/75/671887375.db2.gz	JMYPAYHYRVTSNL-ZCFIWIBFSA-N	-1	0	317.417	0.600	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)NC2CCCCCCC2)c1=O	ZINC000842616790	672022177	/nfs/dbraw/zinc/02/21/77/672022177.db2.gz	VUXCADPNULKDFY-UHFFFAOYSA-N	-1	0	304.350	0.637	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(C(=O)OCC)CCCC1	ZINC000842780342	672036189	/nfs/dbraw/zinc/03/61/89/672036189.db2.gz	LTARGQIJVGXLAU-UHFFFAOYSA-N	-1	0	301.364	0.579	20	30		DCEDRM
C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)C[C@H]1C(=O)[O-]	ZINC000843037925	672055475	/nfs/dbraw/zinc/05/54/75/672055475.db2.gz	ZFLPNKZSOUHDJL-BXKDBHETSA-N	-1	0	323.374	0.753	20	30		DCEDRM
C[C@@H]1CCCN(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)C1	ZINC000844821165	672205062	/nfs/dbraw/zinc/20/50/62/672205062.db2.gz	LUXNODLUKRFSRW-GFCCVEGCSA-N	-1	0	314.407	0.763	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O)CC1	ZINC000845572806	672264298	/nfs/dbraw/zinc/26/42/98/672264298.db2.gz	VCKVHDMYBFAKEP-UHFFFAOYSA-N	-1	0	302.396	0.703	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C(=O)NC)ccc1C	ZINC000846151254	672297344	/nfs/dbraw/zinc/29/73/44/672297344.db2.gz	YBBIYELMWYIUBL-UHFFFAOYSA-N	-1	0	305.334	0.917	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccnc1OCCOC	ZINC000846152880	672297879	/nfs/dbraw/zinc/29/78/79/672297879.db2.gz	CCHHOUSELFYAQL-SNVBAGLBSA-N	-1	0	309.322	0.668	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1	ZINC000846152906	672297936	/nfs/dbraw/zinc/29/79/36/672297936.db2.gz	VNHSYQMVBFOIIV-LLVKDONJSA-N	-1	0	319.361	0.878	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)CNS(=O)(=O)c1ccccc1F	ZINC000846541654	672326321	/nfs/dbraw/zinc/32/63/21/672326321.db2.gz	JYQKHEUQPJDOKF-VIFPVBQESA-N	-1	0	302.327	0.726	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)CNS(=O)(=O)c1ccccc1F	ZINC000846541653	672326388	/nfs/dbraw/zinc/32/63/88/672326388.db2.gz	JYQKHEUQPJDOKF-SECBINFHSA-N	-1	0	302.327	0.726	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)Cn1c2ccccc2c(=O)n(CC)c1=O	ZINC000846544978	672326734	/nfs/dbraw/zinc/32/67/34/672326734.db2.gz	ZXWQEBLVBFBDCC-NSHDSACASA-N	-1	0	317.345	0.805	20	30		DCEDRM
Cc1ncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c(C)n1	ZINC000771079718	685336980	/nfs/dbraw/zinc/33/69/80/685336980.db2.gz	XMRORZKUWSXRCM-UHFFFAOYSA-N	-1	0	308.363	0.847	20	30		DCEDRM
CSc1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cnn1C	ZINC000793195962	685343618	/nfs/dbraw/zinc/34/36/18/685343618.db2.gz	HMHHKDLDZRQOMK-UHFFFAOYSA-N	-1	0	314.392	0.505	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ncoc1-c1ccon1	ZINC000850928522	685370739	/nfs/dbraw/zinc/37/07/39/685370739.db2.gz	DUYOSISABZFBMO-UHFFFAOYSA-N	-1	0	324.318	0.939	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)c1[O-]	ZINC000956004940	686592295	/nfs/dbraw/zinc/59/22/95/686592295.db2.gz	QKYOYXHENUTLGZ-LBPRGKRZSA-N	-1	0	316.361	0.558	20	30		DCEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(C(=O)[C@H](C)C#N)C1	ZINC000967891060	690112784	/nfs/dbraw/zinc/11/27/84/690112784.db2.gz	ZQICXNZYCTVBPQ-MRVPVSSYSA-N	-1	0	305.338	0.256	20	30		DCEDRM
C=CCn1cccc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001014732231	692081785	/nfs/dbraw/zinc/08/17/85/692081785.db2.gz	RKCPOTBHWQMDFM-LLVKDONJSA-N	-1	0	316.365	0.502	20	30		DCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC001570742483	1162608906	/nfs/dbraw/zinc/60/89/06/1162608906.db2.gz	ZGACSMZKKZVTPW-UHFFFAOYSA-N	-1	0	324.300	0.692	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CCC1	ZINC001608175578	1159801399	/nfs/dbraw/zinc/80/13/99/1159801399.db2.gz	JTJAMLCNKLUFGQ-NSHDSACASA-N	-1	0	316.379	0.168	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2nccc3cc[nH]c32)c(=O)[n-]c1=O	ZINC001557532316	1159858391	/nfs/dbraw/zinc/85/83/91/1159858391.db2.gz	KSQKZVYYDWZQKI-UHFFFAOYSA-N	-1	0	310.273	0.336	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001572249542	1163078096	/nfs/dbraw/zinc/07/80/96/1163078096.db2.gz	REIXQOHDKQHXSQ-PSLIRLAXSA-N	-1	0	324.381	0.328	20	30		DCEDRM
CN(Cc1ccccc1O)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001566303982	1159972058	/nfs/dbraw/zinc/97/20/58/1159972058.db2.gz	MQTICXJUZXWDTE-UHFFFAOYSA-N	-1	0	314.301	0.185	20	30		DCEDRM
C[C@@H](CNCC#N)N(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001568321384	1160628523	/nfs/dbraw/zinc/62/85/23/1160628523.db2.gz	ZLVGXRGZXPRXIZ-QMMMGPOBSA-N	-1	0	308.304	0.404	20	30		DCEDRM
C=CCn1cc(CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)nn1	ZINC001573378537	1163420581	/nfs/dbraw/zinc/42/05/81/1163420581.db2.gz	GREGADMWRMTULH-NWDGAFQWSA-N	-1	0	308.338	0.493	20	30		DCEDRM
CCn1cc(C#N)c(NC(=O)N[C@@H]2COC(=O)C2)c1C(=O)[O-]	ZINC001573844230	1163565409	/nfs/dbraw/zinc/56/54/09/1163565409.db2.gz	CYMBDIWKHPKOSB-QMMMGPOBSA-N	-1	0	306.278	0.515	20	30		DCEDRM
CN1C(=O)CC[C@@H]1C(=O)Nc1c(C(=O)[O-])cnn1CCC#N	ZINC001573883106	1163576858	/nfs/dbraw/zinc/57/68/58/1163576858.db2.gz	YUCOZICSTNWMTN-SECBINFHSA-N	-1	0	305.294	0.054	20	30		DCEDRM
CC(C)(O)[C@H]1CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001573923651	1163588336	/nfs/dbraw/zinc/58/83/36/1163588336.db2.gz	WJMUOOMAWFSLFT-VIFPVBQESA-N	-1	0	314.353	0.516	20	30		DCEDRM
COc1cc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)ccc1C#N	ZINC001574012653	1163624698	/nfs/dbraw/zinc/62/46/98/1163624698.db2.gz	NZSMVNRHFWQJDH-RYUDHWBXSA-N	-1	0	319.317	0.267	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)c1	ZINC001574127536	1163643231	/nfs/dbraw/zinc/64/32/31/1163643231.db2.gz	MUHRZUCREPGUDI-AAEUAGOBSA-N	-1	0	318.333	0.959	20	30		DCEDRM
Cc1cc(NC(=O)CNc2ccc(C#N)cn2)n(CC(=O)[O-])n1	ZINC001574140632	1163645621	/nfs/dbraw/zinc/64/56/21/1163645621.db2.gz	AAJOHCRQNLBTFX-UHFFFAOYSA-N	-1	0	314.305	0.593	20	30		DCEDRM
N#Cc1ccsc1C(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1	ZINC001574248103	1163673179	/nfs/dbraw/zinc/67/31/79/1163673179.db2.gz	CJIKWGHJJZQLCM-WDEREUQCSA-N	-1	0	317.326	0.931	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO	ZINC001574248764	1163673383	/nfs/dbraw/zinc/67/33/83/1163673383.db2.gz	NVPXLVYKUTWMRY-NWDGAFQWSA-N	-1	0	319.317	0.024	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)NC[C@]2(C(=O)[O-])CCCOC2)cc1	ZINC001574245309	1163673500	/nfs/dbraw/zinc/67/35/00/1163673500.db2.gz	LFKIGFAOADCMHV-CZUORRHYSA-N	-1	0	318.329	0.589	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@H](CO)C(=O)[O-]	ZINC001574677998	1163741090	/nfs/dbraw/zinc/74/10/90/1163741090.db2.gz	JELSFPXXGXKTMX-GFCCVEGCSA-N	-1	0	312.347	0.040	20	30		DCEDRM
CCN(CCc1ccccn1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001578170914	1164943194	/nfs/dbraw/zinc/94/31/94/1164943194.db2.gz	GNNCCCHRKXIXSG-UHFFFAOYSA-N	-1	0	321.348	0.992	20	30		DCEDRM
CCn1nc(C)c(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)n1	ZINC001578805135	1165122456	/nfs/dbraw/zinc/12/24/56/1165122456.db2.gz	CXVKLXQNWLGROC-UHFFFAOYSA-N	-1	0	311.313	0.060	20	30		DCEDRM
COC(=O)C1=CC[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001579439014	1165310769	/nfs/dbraw/zinc/31/07/69/1165310769.db2.gz	CLZCBEUOLQDOMT-MRVPVSSYSA-N	-1	0	312.293	0.202	20	30		DCEDRM
CO[C@@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1(C)C	ZINC001579617194	1165360152	/nfs/dbraw/zinc/36/01/52/1165360152.db2.gz	AVLOUQSWUYXBBX-SNVBAGLBSA-N	-1	0	314.353	0.780	20	30		DCEDRM
Cc1ccc(-c2nn[nH]n2)c(NCCN(C)C(=O)[C@H](C)C#N)n1	ZINC001581121492	1165786899	/nfs/dbraw/zinc/78/68/99/1165786899.db2.gz	KBKBTIVUMFYMQE-SECBINFHSA-N	-1	0	314.353	0.600	20	30		DCEDRM
N#CCc1ccccc1CC(=O)Nc1c[nH]nc1-c1nnn[n-]1	ZINC001581859287	1165891533	/nfs/dbraw/zinc/89/15/33/1165891533.db2.gz	FHZJGPAFSXAKEM-UHFFFAOYSA-N	-1	0	308.305	0.837	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CCc3cccnc32)[n-]c1-c1nn[nH]n1	ZINC001581860023	1165892960	/nfs/dbraw/zinc/89/29/60/1165892960.db2.gz	HEKQJHKXCCCDRA-QMMMGPOBSA-N	-1	0	321.304	0.525	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc1-c1nnn[n-]1	ZINC001581883321	1165901679	/nfs/dbraw/zinc/90/16/79/1165901679.db2.gz	WGTPDWSHQSQJLK-CKLFPEKLSA-N	-1	0	324.348	0.898	20	30		DCEDRM
N#Cc1ncc(N[C@H](CO)C2CCCC2)nc1-c1nnn[n-]1	ZINC001581882690	1165902755	/nfs/dbraw/zinc/90/27/55/1165902755.db2.gz	FVJZBYRKPSTONX-SNVBAGLBSA-N	-1	0	300.326	0.491	20	30		DCEDRM
N#Cc1ncc(NCc2cc3n(n2)CCCO3)nc1-c1nnn[n-]1	ZINC001581884408	1165903812	/nfs/dbraw/zinc/90/38/12/1165903812.db2.gz	YIKDEQKNIHROQI-UHFFFAOYSA-N	-1	0	324.308	0.119	20	30		DCEDRM
N#Cc1ncc(NCc2ccc(CCO)cc2)nc1-c1nnn[n-]1	ZINC001581884259	1165904977	/nfs/dbraw/zinc/90/49/77/1165904977.db2.gz	RHSAQHFRGAPDNA-UHFFFAOYSA-N	-1	0	322.332	0.675	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)CCc1scnc1C)C(=O)[O-]	ZINC001588423427	1166018205	/nfs/dbraw/zinc/01/82/05/1166018205.db2.gz	GRRHGSBVVWIUHG-SECBINFHSA-N	-1	0	302.377	0.390	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2ccc3occc3c2)c(=O)[n-]c1=O	ZINC001583979872	1166298344	/nfs/dbraw/zinc/29/83/44/1166298344.db2.gz	GBOWEDQZJIXJEY-UHFFFAOYSA-N	-1	0	324.296	0.883	20	30		DCEDRM
COCCOCCN(CCO)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001584584448	1166333545	/nfs/dbraw/zinc/33/35/45/1166333545.db2.gz	DSIQSSWPTBCVOB-UHFFFAOYSA-N	-1	0	323.349	0.065	20	30		DCEDRM
CCOc1ccc(OC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001587400450	1166507872	/nfs/dbraw/zinc/50/78/72/1166507872.db2.gz	IZQFUERPTZGBKE-UHFFFAOYSA-N	-1	0	315.285	0.825	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(S(C)(=O)=O)cc(C)c1C)C(=O)[O-]	ZINC001588414698	1166551965	/nfs/dbraw/zinc/55/19/65/1166551965.db2.gz	XYTOZOAKHQAFKS-ZDUSSCGKSA-N	-1	0	323.370	0.913	20	30		DCEDRM
C[C@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)n1cccn1	ZINC001589795775	1166688791	/nfs/dbraw/zinc/68/87/91/1166688791.db2.gz	ZTOOXDKPDCNZSK-SSDOTTSWSA-N	-1	0	312.297	0.248	20	30		DCEDRM
CC[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)[C@@H](O)C(C)C	ZINC001590473825	1166920575	/nfs/dbraw/zinc/92/05/75/1166920575.db2.gz	SPCXPCJVLKWUDP-PELKAZGASA-N	-1	0	302.342	0.736	20	30		DCEDRM
CCC[C@@H](CCO)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590556528	1166941962	/nfs/dbraw/zinc/94/19/62/1166941962.db2.gz	QZRHAMWYNDQONQ-VIFPVBQESA-N	-1	0	302.342	0.739	20	30		DCEDRM
COC[C@H]1CCCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001591393071	1167260867	/nfs/dbraw/zinc/26/08/67/1167260867.db2.gz	UDAISQLMNIPVRI-SECBINFHSA-N	-1	0	300.326	0.534	20	30		DCEDRM
COCCC1(C)CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001591400657	1167268281	/nfs/dbraw/zinc/26/82/81/1167268281.db2.gz	GMIJQAGGKNEKNJ-UHFFFAOYSA-N	-1	0	300.326	0.391	20	30		DCEDRM
Cc1ccccc1OCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001592261621	1167479760	/nfs/dbraw/zinc/47/97/60/1167479760.db2.gz	OEKSZDAQCDJBGQ-UHFFFAOYSA-N	-1	0	324.304	0.787	20	30		DCEDRM
Cc1nn(Cc2cccc(C#N)c2)c(=O)c(-c2nnn[n-]2)c1C	ZINC001592437718	1167522374	/nfs/dbraw/zinc/52/23/74/1167522374.db2.gz	JANPORKRSNLSMP-UHFFFAOYSA-N	-1	0	307.317	0.960	20	30		DCEDRM
Cc1nnsc1CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001592454512	1167529603	/nfs/dbraw/zinc/52/96/03/1167529603.db2.gz	MWTACNZRNXYMTM-UHFFFAOYSA-N	-1	0	300.311	0.300	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccnc(F)c2F)[n-]c1-c1nn[nH]n1	ZINC001592681366	1167598532	/nfs/dbraw/zinc/59/85/32/1167598532.db2.gz	BXKJGFUMXHODFE-UHFFFAOYSA-N	-1	0	317.219	0.387	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCC[C@@H]2C=CCC2)c(=O)[n-]c1=O	ZINC001594215563	1167964920	/nfs/dbraw/zinc/96/49/20/1167964920.db2.gz	WYUQIEUKBUEEAO-LLVKDONJSA-N	-1	0	302.334	0.683	20	30		DCEDRM
COC[C@H](NC(=O)c1[nH]c2ccccc2c1C#N)c1nnn[n-]1	ZINC001595888490	1167979353	/nfs/dbraw/zinc/97/93/53/1167979353.db2.gz	GVWHPRNMSMNFEF-NSHDSACASA-N	-1	0	311.305	0.670	20	30		DCEDRM
Cc1cc(N(C)CCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c(C#N)cn1	ZINC001600235668	1168142614	/nfs/dbraw/zinc/14/26/14/1168142614.db2.gz	IZBWBPJBWDDYOM-STQMWFEESA-N	-1	0	316.361	0.925	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN(CC#N)CC1	ZINC001600362010	1168174010	/nfs/dbraw/zinc/17/40/10/1168174010.db2.gz	CHOJVGYZEXTRFO-UHFFFAOYSA-N	-1	0	323.374	0.523	20	30		DCEDRM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC001600823062	1168476144	/nfs/dbraw/zinc/47/61/44/1168476144.db2.gz	ZYQNRIZPQLEYAI-PELKAZGASA-N	-1	0	317.301	0.814	20	30		DCEDRM
Cc1onc(CC(=O)N[C@H](C(=O)[O-])c2ccnn2C)c1C#N	ZINC001600864823	1168492124	/nfs/dbraw/zinc/49/21/24/1168492124.db2.gz	YENLHMYPVICBIM-LBPRGKRZSA-N	-1	0	303.278	0.073	20	30		DCEDRM
Cn1c2cc(C(=O)N(CC#N)CCC(=O)[O-])ccc2[nH]c1=O	ZINC001600894003	1168498326	/nfs/dbraw/zinc/49/83/26/1168498326.db2.gz	MCGQMYSGHBZGMJ-UHFFFAOYSA-N	-1	0	302.290	0.719	20	30		DCEDRM
Cn1c(C=NNc2ccccc2S(N)(=O)=O)ccc1C(=O)[O-]	ZINC001600912343	1168505318	/nfs/dbraw/zinc/50/53/18/1168505318.db2.gz	QWZGOQLIFAHWQV-UHFFFAOYSA-N	-1	0	322.346	0.817	20	30		DCEDRM
Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001600994064	1168552524	/nfs/dbraw/zinc/55/25/24/1168552524.db2.gz	APSMZVRRHILWJB-GHMZBOCLSA-N	-1	0	302.334	0.741	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)Cn2cc(C3CC3)nn2)CC1	ZINC001601052038	1168577525	/nfs/dbraw/zinc/57/75/25/1168577525.db2.gz	XXQHXKGNGFJYFS-UHFFFAOYSA-N	-1	0	303.322	0.372	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(CC[C@@H]2CCS(=O)(=O)C2)CC1	ZINC001601053320	1168578436	/nfs/dbraw/zinc/57/84/36/1168578436.db2.gz	UQFMALRMMMFLIR-LLVKDONJSA-N	-1	0	300.380	0.502	20	30		DCEDRM
N#CC1(C(=O)OCC(=O)Nc2cccc(C(=O)[O-])n2)CCC1	ZINC001601053604	1168578485	/nfs/dbraw/zinc/57/84/85/1168578485.db2.gz	LKYDPYWTHOKAEF-UHFFFAOYSA-N	-1	0	303.274	0.955	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)Nc2ccc(C(=O)[O-])nc2)CC1	ZINC001601061580	1168578968	/nfs/dbraw/zinc/57/89/68/1168578968.db2.gz	XFUIKYNRRVMWOG-UHFFFAOYSA-N	-1	0	317.305	0.370	20	30		DCEDRM
N#C[C@H]1CN(C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)CCO1	ZINC001601060984	1168579297	/nfs/dbraw/zinc/57/92/97/1168579297.db2.gz	OUNAXVQTULWFCJ-OOLXCHQQSA-N	-1	0	323.349	0.333	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)NCc2ncc(C(=O)[O-])s2)C1	ZINC001601062301	1168579698	/nfs/dbraw/zinc/57/96/98/1168579698.db2.gz	HRLSEISRZFPYCM-LBPRGKRZSA-N	-1	0	310.335	0.401	20	30		DCEDRM
N#CCCc1ccc(S(=O)(=O)N[C@H](CF)C(=O)[O-])cc1	ZINC001601068687	1168580512	/nfs/dbraw/zinc/58/05/12/1168580512.db2.gz	MOODAUYQFZJWKS-LLVKDONJSA-N	-1	0	300.311	0.844	20	30		DCEDRM
N#CCCNC(=O)CN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1	ZINC001601068253	1168580519	/nfs/dbraw/zinc/58/05/19/1168580519.db2.gz	OVUVJIWVHLUVTG-SECBINFHSA-N	-1	0	308.363	0.660	20	30		DCEDRM
N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)n1	ZINC001601068748	1168580609	/nfs/dbraw/zinc/58/06/09/1168580609.db2.gz	PETZTXJJRIWLMX-JTQLQIEISA-N	-1	0	319.321	0.058	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1sccc1-n1ccnn1	ZINC001601071630	1168580954	/nfs/dbraw/zinc/58/09/54/1168580954.db2.gz	ASFAJKYAEVRWNF-UHFFFAOYSA-N	-1	0	305.319	0.769	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cncc(N2CCCC2=O)c1	ZINC001601071508	1168581086	/nfs/dbraw/zinc/58/10/86/1168581086.db2.gz	PSXVEWUCBQFNEB-UHFFFAOYSA-N	-1	0	302.290	0.259	20	30		DCEDRM
N#CCCn1ccc(NC(=O)NC2(CC(=O)[O-])CCOCC2)n1	ZINC001601069838	1168581166	/nfs/dbraw/zinc/58/11/66/1168581166.db2.gz	GXSGVDXVCOYBKG-UHFFFAOYSA-N	-1	0	321.337	0.942	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cnc2c(F)cc(F)cc2c1O	ZINC001601071551	1168581196	/nfs/dbraw/zinc/58/11/96/1168581196.db2.gz	UMAHQRBEOUUWGC-UHFFFAOYSA-N	-1	0	321.239	0.857	20	30		DCEDRM
N#CCN1CCC(CNC(=O)c2ccoc2CC(=O)[O-])CC1	ZINC001601073457	1168581574	/nfs/dbraw/zinc/58/15/74/1168581574.db2.gz	WHEXPCUVULHSPR-UHFFFAOYSA-N	-1	0	305.334	0.872	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1	ZINC001601074128	1168581609	/nfs/dbraw/zinc/58/16/09/1168581609.db2.gz	XZBOJPKMDDAXQL-OAHLLOKOSA-N	-1	0	304.302	0.179	20	30		DCEDRM
N#CCNCc1nc2c(s1)CCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C2	ZINC001601073617	1168581802	/nfs/dbraw/zinc/58/18/02/1168581802.db2.gz	FFCUJILXHQDEDO-IUCAKERBSA-N	-1	0	320.374	0.362	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1cccc2c1OCC2	ZINC001601073375	1168581891	/nfs/dbraw/zinc/58/18/91/1168581891.db2.gz	RGHGWEHTDIBCLK-UHFFFAOYSA-N	-1	0	310.331	0.610	20	30		DCEDRM
N#CCNC(=O)CNC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC001601074535	1168582251	/nfs/dbraw/zinc/58/22/51/1168582251.db2.gz	DASHDFDBMBOVNE-UHFFFAOYSA-N	-1	0	304.306	0.465	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC001601075606	1168582435	/nfs/dbraw/zinc/58/24/35/1168582435.db2.gz	HIBLJPCAMSDWRK-HNNXBMFYSA-N	-1	0	304.302	0.953	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1	ZINC001601077787	1168582718	/nfs/dbraw/zinc/58/27/18/1168582718.db2.gz	MIOKWBCPKSBVIU-ZDUSSCGKSA-N	-1	0	312.322	0.940	20	30		DCEDRM
N#Cc1cc(CS(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)cs1	ZINC001601086729	1168583588	/nfs/dbraw/zinc/58/35/88/1168583588.db2.gz	GROVQAJHUGOPIQ-LLVKDONJSA-N	-1	0	318.351	0.948	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H](CF)C(=O)[O-]	ZINC001601089120	1168583686	/nfs/dbraw/zinc/58/36/86/1168583686.db2.gz	PCBUMRYTFFGKHG-SNVBAGLBSA-N	-1	0	304.274	0.539	20	30		DCEDRM
N#Cc1ccc(C(=O)NCCNc2ncc(C(=O)[O-])cn2)[nH]1	ZINC001601091921	1168583870	/nfs/dbraw/zinc/58/38/70/1168583870.db2.gz	HCWHVHRJQKGIMK-UHFFFAOYSA-N	-1	0	300.278	0.216	20	30		DCEDRM
N#Cc1ccc(-c2nnc(CN3C[C@H](O)C[C@@H]3C(=O)[O-])o2)cc1	ZINC001601092791	1168583953	/nfs/dbraw/zinc/58/39/53/1168583953.db2.gz	NBDZSBVPVDSNGP-VXGBXAGGSA-N	-1	0	314.301	0.628	20	30		DCEDRM
N#Cc1cc(NC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)ccn1	ZINC001601090208	1168584192	/nfs/dbraw/zinc/58/41/92/1168584192.db2.gz	OCSCBBFDDVAYOX-UHFFFAOYSA-N	-1	0	313.277	0.332	20	30		DCEDRM
N#Cc1ccc(C(=O)OCCCc2cn(CC(=O)[O-])nn2)cn1	ZINC001601094413	1168584212	/nfs/dbraw/zinc/58/42/12/1168584212.db2.gz	LHFOBFJHSMTTRU-UHFFFAOYSA-N	-1	0	315.289	0.419	20	30		DCEDRM
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC001601099474	1168584478	/nfs/dbraw/zinc/58/44/78/1168584478.db2.gz	OECKNSWEIDUTOQ-UONOGXRCSA-N	-1	0	313.313	0.553	20	30		DCEDRM
N#Cc1ccc(CN2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)s1	ZINC001601101096	1168585068	/nfs/dbraw/zinc/58/50/68/1168585068.db2.gz	YEJVXRWQOWHRIB-OLZOCXBDSA-N	-1	0	319.386	0.888	20	30		DCEDRM
N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nc1	ZINC001601109029	1168586424	/nfs/dbraw/zinc/58/64/24/1168586424.db2.gz	AZUVBPDSEKLMLF-SDDRHHMPSA-N	-1	0	301.302	0.654	20	30		DCEDRM
N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1	ZINC001601108837	1168586527	/nfs/dbraw/zinc/58/65/27/1168586527.db2.gz	URLNZLCVIIZIFX-ZRUFSTJUSA-N	-1	0	301.306	0.128	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCOC2)c(C(=O)[O-])c1	ZINC001601111531	1168586687	/nfs/dbraw/zinc/58/66/87/1168586687.db2.gz	IGUNQUJQHANFLH-JTQLQIEISA-N	-1	0	310.331	0.571	20	30		DCEDRM
N#Cc1cccc(C(=O)COC(=O)Cn2cc(C(=O)[O-])nn2)c1	ZINC001601114491	1168587482	/nfs/dbraw/zinc/58/74/82/1168587482.db2.gz	BMGSTOKJUIKNJU-UHFFFAOYSA-N	-1	0	314.257	0.274	20	30		DCEDRM
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC(O)(C(=O)[O-])C1	ZINC001601114969	1168587747	/nfs/dbraw/zinc/58/77/47/1168587747.db2.gz	ZYLQWDQCDCRVAV-LBPRGKRZSA-N	-1	0	301.302	0.386	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])n1	ZINC001601122213	1168588253	/nfs/dbraw/zinc/58/82/53/1168588253.db2.gz	HMAOZAGOIRYFNX-JTQLQIEISA-N	-1	0	302.290	0.357	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCOC[C@H]2CC(=O)[O-])c1	ZINC001601121619	1168588583	/nfs/dbraw/zinc/58/85/83/1168588583.db2.gz	QFWJLBXAEWXWKF-GFCCVEGCSA-N	-1	0	304.302	0.639	20	30		DCEDRM
N#Cc1cnc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)c(Cl)c1	ZINC001601128866	1168590218	/nfs/dbraw/zinc/59/02/18/1168590218.db2.gz	DEAMZHUZXHRRNT-ZDUSSCGKSA-N	-1	0	309.709	0.828	20	30		DCEDRM
N#Cc1ccccc1/C=C\C(=O)N[C@H](Cn1cncn1)C(=O)[O-]	ZINC001601126303	1168590288	/nfs/dbraw/zinc/59/02/88/1168590288.db2.gz	SYMREOHDXHRJPX-CFHLNLSMSA-N	-1	0	311.301	0.433	20	30		DCEDRM
N#Cc1csc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c1	ZINC001601131338	1168590822	/nfs/dbraw/zinc/59/08/22/1168590822.db2.gz	WNLQJGGOLQSSSR-VIFPVBQESA-N	-1	0	317.330	0.997	20	30		DCEDRM
N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1	ZINC001601130308	1168591749	/nfs/dbraw/zinc/59/17/49/1168591749.db2.gz	CROCZCVDOQYZBD-UUTMEEIUSA-N	-1	0	301.306	0.128	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCN2C(=O)OCC[C@H]2C1	ZINC001601133535	1168593032	/nfs/dbraw/zinc/59/30/32/1168593032.db2.gz	QHRHOGNIAZZFJH-VIFPVBQESA-N	-1	0	302.290	0.682	20	30		DCEDRM
O=C([O-])c1cc(C(=O)NCc2ccc(C(=O)NO)cc2)no1	ZINC001601562994	1168781870	/nfs/dbraw/zinc/78/18/70/1168781870.db2.gz	DUYMZGJGNCOIJU-UHFFFAOYSA-N	-1	0	305.246	0.422	20	30		DCEDRM
O=C([O-])C1=CC[C@@H](NC(=O)C(=O)NCC#Cc2ccccc2)C1	ZINC001601736655	1168840399	/nfs/dbraw/zinc/84/03/99/1168840399.db2.gz	INSBTRHIZALQNN-CQSZACIVSA-N	-1	0	312.325	0.444	20	30		DCEDRM
C#C[C@H](C)NC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001602669973	1169155721	/nfs/dbraw/zinc/15/57/21/1169155721.db2.gz	IZLJADZVGBGKFM-WCBMZHEXSA-N	-1	0	321.358	0.873	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](CC#CC)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001602684628	1169158379	/nfs/dbraw/zinc/15/83/79/1169158379.db2.gz	BZHIOCBSSJJXRH-RYUDHWBXSA-N	-1	0	322.361	0.886	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1)C(=O)[O-]	ZINC001602685345	1169158677	/nfs/dbraw/zinc/15/86/77/1169158677.db2.gz	RUHPCCJYOHNHBN-ZIAGYGMSSA-N	-1	0	314.341	0.884	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)C(=O)[O-]	ZINC001602687910	1169159942	/nfs/dbraw/zinc/15/99/42/1169159942.db2.gz	YVYCWRHLRYBOEL-NEPJUHHUSA-N	-1	0	303.318	0.379	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(-n2ccnn2)ccc1F)C(=O)[O-]	ZINC001602691954	1169162137	/nfs/dbraw/zinc/16/21/37/1169162137.db2.gz	FLJXCZCMKCMOCM-GFCCVEGCSA-N	-1	0	302.265	0.613	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-]	ZINC001602693189	1169162886	/nfs/dbraw/zinc/16/28/86/1169162886.db2.gz	KFPCSLLGENJWTB-JTQLQIEISA-N	-1	0	313.306	0.436	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)[O-]	ZINC001602693297	1169162955	/nfs/dbraw/zinc/16/29/55/1169162955.db2.gz	ONONMHFCRMUUTJ-AWEZNQCLSA-N	-1	0	308.297	0.950	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc2c1OCCC2)C(=O)[O-]	ZINC001602698414	1169164513	/nfs/dbraw/zinc/16/45/13/1169164513.db2.gz	GLIHMLQEQGYJCK-LLVKDONJSA-N	-1	0	309.343	0.766	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1	ZINC001602713740	1169168229	/nfs/dbraw/zinc/16/82/29/1169168229.db2.gz	QRWNSJVBKCDOAJ-SECBINFHSA-N	-1	0	322.292	0.708	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001602726436	1169174068	/nfs/dbraw/zinc/17/40/68/1169174068.db2.gz	PXQXUHRYIMEGRK-UWVGGRQHSA-N	-1	0	306.322	0.130	20	30		DCEDRM
C#CCOc1ccc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])cc1	ZINC001602730680	1169174094	/nfs/dbraw/zinc/17/40/94/1169174094.db2.gz	ZHMMYBHLUFGOFU-CYBMUJFWSA-N	-1	0	319.313	0.645	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001602728374	1169174423	/nfs/dbraw/zinc/17/44/23/1169174423.db2.gz	SPWVOMJUDZPQLC-NWDGAFQWSA-N	-1	0	303.380	0.541	20	30		DCEDRM
C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cc1	ZINC001602739804	1169175724	/nfs/dbraw/zinc/17/57/24/1169175724.db2.gz	NQTWWPPSXVKLGP-KGLIPLIRSA-N	-1	0	312.325	0.329	20	30		DCEDRM
C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@H](C)C(=O)[O-])c1	ZINC001602743345	1169176174	/nfs/dbraw/zinc/17/61/74/1169176174.db2.gz	NEKTYRUJTBJTTA-SNVBAGLBSA-N	-1	0	303.318	0.721	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1	ZINC001602764546	1169180629	/nfs/dbraw/zinc/18/06/29/1169180629.db2.gz	CGXWQJQSJQXWAX-UHFFFAOYSA-N	-1	0	317.407	0.974	20	30		DCEDRM
C=C(C)Cn1c([C@H](C)CO)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001602765731	1169181317	/nfs/dbraw/zinc/18/13/17/1169181317.db2.gz	HXYNRTDTLBRUSM-ABAIWWIYSA-N	-1	0	324.381	0.630	20	30		DCEDRM
C=C(C)Cn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001602771156	1169183075	/nfs/dbraw/zinc/18/30/75/1169183075.db2.gz	MPIDUVCBUKWYCT-JTQLQIEISA-N	-1	0	308.338	0.125	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(CCC(=O)[O-])CC(=O)OC(C)(C)C	ZINC001602809591	1169186447	/nfs/dbraw/zinc/18/64/47/1169186447.db2.gz	JULOXCRWQCXSSM-OAHLLOKOSA-N	-1	0	315.366	0.959	20	30		DCEDRM
C=C[C@H](Nc1ccccc1OCC(=O)N1CCOCC1)C(=O)[O-]	ZINC001602820847	1169188991	/nfs/dbraw/zinc/18/89/91/1169188991.db2.gz	OZDGETBLCBDWBG-LBPRGKRZSA-N	-1	0	320.345	0.975	20	30		DCEDRM
C=C[C@@H](OC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1)C(=O)[O-]	ZINC001602827791	1169189754	/nfs/dbraw/zinc/18/97/54/1169189754.db2.gz	QPQWKLVXYQPWRS-KGYLQXTDSA-N	-1	0	320.301	0.162	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001602842965	1169191958	/nfs/dbraw/zinc/19/19/58/1169191958.db2.gz	SVUDMVMVXIHGDD-LBPRGKRZSA-N	-1	0	306.318	0.305	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)[O-]	ZINC001602862397	1169194140	/nfs/dbraw/zinc/19/41/40/1169194140.db2.gz	DMQJJWGUZDKEMU-LRDDRELGSA-N	-1	0	322.361	0.525	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-]	ZINC001602862811	1169194818	/nfs/dbraw/zinc/19/48/18/1169194818.db2.gz	IBLKRYOUUCVASC-PWSUYJOCSA-N	-1	0	320.349	0.688	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CCCS(=O)(=O)C1)C(=O)[O-]	ZINC001602863923	1169195982	/nfs/dbraw/zinc/19/59/82/1169195982.db2.gz	VIQTULIDNRIZEO-WDEREUQCSA-N	-1	0	303.380	0.737	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)C(=O)[O-]	ZINC001602872747	1169197189	/nfs/dbraw/zinc/19/71/89/1169197189.db2.gz	NLSXTTJGTCEITC-VIFPVBQESA-N	-1	0	316.335	0.466	20	30		DCEDRM
C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cc(C(=O)[O-])nn1C	ZINC001602887663	1169198413	/nfs/dbraw/zinc/19/84/13/1169198413.db2.gz	HIGOTNDGWRXQKA-JTQLQIEISA-N	-1	0	321.333	0.864	20	30		DCEDRM
C=CCN(CCC#N)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001602890730	1169200785	/nfs/dbraw/zinc/20/07/85/1169200785.db2.gz	GARWWFFNHITCAU-UHFFFAOYSA-N	-1	0	304.306	0.590	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1=O	ZINC001602898820	1169201263	/nfs/dbraw/zinc/20/12/63/1169201263.db2.gz	ZZJAIUIUQWPGNO-XQQFMLRXSA-N	-1	0	324.377	0.502	20	30		DCEDRM
C=CCOCC(=O)N1CCC(Nc2ccnc(C(=O)[O-])n2)CC1	ZINC001602907148	1169201417	/nfs/dbraw/zinc/20/14/17/1169201417.db2.gz	ZUIFPXVGAHQPBB-UHFFFAOYSA-N	-1	0	320.349	0.202	20	30		DCEDRM
C=CCOCC(=O)N[C@@H](C)CN(C)c1ccnc(C(=O)[O-])n1	ZINC001602906232	1169201755	/nfs/dbraw/zinc/20/17/55/1169201755.db2.gz	BVMGHRHMNLWJJO-JTQLQIEISA-N	-1	0	308.338	0.318	20	30		DCEDRM
C=CCOCC(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-]	ZINC001602906526	1169202231	/nfs/dbraw/zinc/20/22/31/1169202231.db2.gz	JHWHWVHEMIQMAX-VHSXEESVSA-N	-1	0	316.379	0.070	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)C(=O)OC	ZINC001602912727	1169202519	/nfs/dbraw/zinc/20/25/19/1169202519.db2.gz	BPYIFGQGRWDMLA-JPVGGKMYSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)CC=C(Cl)Cl)C(=O)[O-]	ZINC001602915527	1169204962	/nfs/dbraw/zinc/20/49/62/1169204962.db2.gz	XJSSCMCVWYRZQI-SSDOTTSWSA-N	-1	0	318.178	0.881	20	30		DCEDRM
C=CCc1cc(C(=O)N[C@H](CO)C(=O)[O-])cc(OC)c1OC	ZINC001602926232	1169210033	/nfs/dbraw/zinc/21/00/33/1169210033.db2.gz	WUWYBUGZAZTETD-LLVKDONJSA-N	-1	0	309.318	0.608	20	30		DCEDRM
C=CCn1c([C@H](O)C2CC2)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001602932801	1169211385	/nfs/dbraw/zinc/21/13/85/1169211385.db2.gz	STGGLLFYYKOPMB-ABAIWWIYSA-N	-1	0	322.365	0.587	20	30		DCEDRM
C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602932292	1169211442	/nfs/dbraw/zinc/21/14/42/1169211442.db2.gz	NLLZWWDMDOFABB-MNOVXSKESA-N	-1	0	308.338	0.463	20	30		DCEDRM
C=CCn1nnnc1S[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001602940155	1169214746	/nfs/dbraw/zinc/21/47/46/1169214746.db2.gz	JPYHFQDHJUKXFO-SECBINFHSA-N	-1	0	311.367	0.417	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1CCC[C@](C)(C(=O)[O-])C1	ZINC001602941904	1169215116	/nfs/dbraw/zinc/21/51/16/1169215116.db2.gz	MYQAJRNJGWRKHL-HUBLWGQQSA-N	-1	0	321.381	0.955	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC001602945323	1169215605	/nfs/dbraw/zinc/21/56/05/1169215605.db2.gz	GQXDXFKPBGKTTG-NSHDSACASA-N	-1	0	311.359	0.746	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001602945115	1169215716	/nfs/dbraw/zinc/21/57/16/1169215716.db2.gz	CUUYCPMCFSOSLD-SNVBAGLBSA-N	-1	0	322.292	0.353	20	30		DCEDRM
CC#CCN(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC001602949750	1169219151	/nfs/dbraw/zinc/21/91/51/1169219151.db2.gz	RNMCYDPRGGMNFN-HNNXBMFYSA-N	-1	0	300.358	0.980	20	30		DCEDRM
C[C@H](C(=O)N1CCC[C@@H](CC#N)C1)n1cnc(-c2nnn[n-]2)n1	ZINC001602998870	1169227849	/nfs/dbraw/zinc/22/78/49/1169227849.db2.gz	CJSRBRVLAYVBOA-ZJUUUORDSA-N	-1	0	315.341	0.171	20	30		DCEDRM
CC(C)(C)OC(=O)NCCCn1cnc(-c2nnn[n-]2)c1C#N	ZINC001603097262	1169247350	/nfs/dbraw/zinc/24/73/50/1169247350.db2.gz	UKRSXIZOMWJQPS-UHFFFAOYSA-N	-1	0	318.341	0.850	20	30		DCEDRM
C[C@@H](Cc1ccco1)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001603585224	1169328587	/nfs/dbraw/zinc/32/85/87/1169328587.db2.gz	SLERYZCNVXFRIG-ZETCQYMHSA-N	-1	0	312.293	0.872	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)NC1(C(=O)[O-])CC(CO)C1	ZINC001603575711	1169330037	/nfs/dbraw/zinc/33/00/37/1169330037.db2.gz	CVOHKFNGWLIDLW-UHFFFAOYSA-N	-1	0	304.368	0.071	20	30		DCEDRM
CC(C)(CCC#N)CNC(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001603591415	1169332166	/nfs/dbraw/zinc/33/21/66/1169332166.db2.gz	LRJJYSDKBOFXRK-UHFFFAOYSA-N	-1	0	312.370	0.597	20	30		DCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC(=O)NCC(=O)[O-]	ZINC001603693348	1169354201	/nfs/dbraw/zinc/35/42/01/1169354201.db2.gz	NEZMEGBQTKSTGC-UHFFFAOYSA-N	-1	0	319.317	0.033	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001603700171	1169366079	/nfs/dbraw/zinc/36/60/79/1169366079.db2.gz	NPUMCTJXHNZPFD-GFCCVEGCSA-N	-1	0	316.361	0.659	20	30		DCEDRM
CC(C)C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC001603832412	1169405689	/nfs/dbraw/zinc/40/56/89/1169405689.db2.gz	YEMLJLWEDSTGBL-QWRGUYRKSA-N	-1	0	305.400	0.754	20	30		DCEDRM
C[C@@H]1CCSCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001603911280	1169431496	/nfs/dbraw/zinc/43/14/96/1169431496.db2.gz	UUSDJMGEZNIXCU-MRVPVSSYSA-N	-1	0	302.367	0.860	20	30		DCEDRM
CC[C@@H](NN=Cc1ccc(OC)c(-c2nn[nH]n2)c1)C(=O)[O-]	ZINC001604061031	1169485042	/nfs/dbraw/zinc/48/50/42/1169485042.db2.gz	JIYZHWIQXPUDDY-SNVBAGLBSA-N	-1	0	304.310	0.662	20	30		DCEDRM
C[C@]([NH2+]Cc1cc(=O)n2[n-]cc(C#N)c2n1)(C(=O)[O-])C1CC1	ZINC001604341345	1169559410	/nfs/dbraw/zinc/55/94/10/1169559410.db2.gz	KEFMWALIBOHCOS-CQSZACIVSA-N	-1	0	301.306	0.649	20	30		DCEDRM
CC1(C)CNC(=O)c2c(C(=O)N(CC#N)CC(=O)[O-])coc2C1	ZINC001604547561	1169613941	/nfs/dbraw/zinc/61/39/41/1169613941.db2.gz	XWSMTSFVYVZVDR-UHFFFAOYSA-N	-1	0	319.317	0.642	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1CCS(=O)(=O)c1ccc(C#N)cn1	ZINC001604635792	1169638702	/nfs/dbraw/zinc/63/87/02/1169638702.db2.gz	IJOREDQMNXFSCX-PWSUYJOCSA-N	-1	0	323.374	0.522	20	30		DCEDRM
CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001604981862	1169769879	/nfs/dbraw/zinc/76/98/79/1169769879.db2.gz	VCEWSWMSOWAZAA-JTQLQIEISA-N	-1	0	319.317	0.897	20	30		DCEDRM
COC[C@@H](C)[C@@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001605049863	1169794800	/nfs/dbraw/zinc/79/48/00/1169794800.db2.gz	XGRDDXLTSAVDKJ-RNFRBKRXSA-N	-1	0	304.314	0.319	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(C(=O)[O-])n1C	ZINC001605418131	1169915481	/nfs/dbraw/zinc/91/54/81/1169915481.db2.gz	QQJSEDBBYWIYSK-SNVBAGLBSA-N	-1	0	321.333	0.888	20	30		DCEDRM
Cn1c(=O)[nH]c(NCC2(C#N)CCCC2)c(-c2nnn[n-]2)c1=O	ZINC001606206372	1170112126	/nfs/dbraw/zinc/11/21/26/1170112126.db2.gz	WMWPFNXWQJORIT-UHFFFAOYSA-N	-1	0	316.325	0.162	20	30		DCEDRM
COC(=O)C[C@@H](OC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC001606477421	1170217375	/nfs/dbraw/zinc/21/73/75/1170217375.db2.gz	VUTGHYOIHUUGAX-BXKDBHETSA-N	-1	0	321.285	0.885	20	30		DCEDRM
COC(=O)c1ccc(N2CCC(O)(C(=O)[O-])CC2)c(C#N)n1	ZINC001606594052	1170239194	/nfs/dbraw/zinc/23/91/94/1170239194.db2.gz	DLDCRVFRXJJXOR-UHFFFAOYSA-N	-1	0	305.290	0.156	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN1CC(=O)N[C@@](C)(C#N)C(C)C	ZINC001606833796	1170305755	/nfs/dbraw/zinc/30/57/55/1170305755.db2.gz	VRLUGPXDYSCDJX-LSDHHAIUSA-N	-1	0	311.382	0.606	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN1CC(=O)N[C@](C)(C#N)C(C)C	ZINC001606833795	1170306242	/nfs/dbraw/zinc/30/62/42/1170306242.db2.gz	VRLUGPXDYSCDJX-HUUCEWRRSA-N	-1	0	311.382	0.606	20	30		DCEDRM
COCCN(CCC#N)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001606884688	1170321892	/nfs/dbraw/zinc/32/18/92/1170321892.db2.gz	KUIHRVNCTKBTGV-UHFFFAOYSA-N	-1	0	319.317	0.712	20	30		DCEDRM
CON=CC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-]	ZINC001606995885	1170347597	/nfs/dbraw/zinc/34/75/97/1170347597.db2.gz	GQGLORGJIHDIRG-UHFFFAOYSA-N	-1	0	307.306	0.792	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001606995980	1170348994	/nfs/dbraw/zinc/34/89/94/1170348994.db2.gz	IUGMVOLJPYOWFV-QWHCGFSZSA-N	-1	0	306.318	0.575	20	30		DCEDRM
COc1cc(C(=O)OCCn2cc(C(=O)[O-])nn2)ccc1C#N	ZINC001607146129	1170409821	/nfs/dbraw/zinc/40/98/21/1170409821.db2.gz	XLSLXQVKNMBOPS-UHFFFAOYSA-N	-1	0	316.273	0.714	20	30		DCEDRM
COc1ccc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1C#N	ZINC001607273138	1170421191	/nfs/dbraw/zinc/42/11/91/1170421191.db2.gz	GXXWNHIHXIXYCN-AWEZNQCLSA-N	-1	0	305.290	0.620	20	30		DCEDRM
Cc1c(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)cnn1CCC#N	ZINC001607509546	1170471102	/nfs/dbraw/zinc/47/11/02/1170471102.db2.gz	ZMZVZMUOFQIYCI-UWVGGRQHSA-N	-1	0	312.276	0.801	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)c1C#N	ZINC001607861762	1170514777	/nfs/dbraw/zinc/51/47/77/1170514777.db2.gz	ILZUAIJSLATETB-UHFFFAOYSA-N	-1	0	323.374	0.258	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC001608032051	1170553841	/nfs/dbraw/zinc/55/38/41/1170553841.db2.gz	GHIKYEILFBIWLD-LBPRGKRZSA-N	-1	0	308.290	0.842	20	30		DCEDRM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](O)CC(=O)[O-]	ZINC001608031843	1170553949	/nfs/dbraw/zinc/55/39/49/1170553949.db2.gz	QASITSCHSBYJLX-JTQLQIEISA-N	-1	0	317.301	0.816	20	30		DCEDRM
Cc1oc(CNC(=O)C(=O)NCCCCC#N)cc1C(=O)[O-]	ZINC001608050204	1170559797	/nfs/dbraw/zinc/55/97/97/1170559797.db2.gz	KSJHPSVJHPBUDH-UHFFFAOYSA-N	-1	0	307.306	0.713	20	30		DCEDRM
Cc1onc2c1c(C(=O)[O-])nn(CN1CC[C@](C)(C#N)C1)c2=O	ZINC001608058161	1170562586	/nfs/dbraw/zinc/56/25/86/1170562586.db2.gz	HPLDLWBAEMFWDW-CQSZACIVSA-N	-1	0	317.305	0.584	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC001608163152	1170604455	/nfs/dbraw/zinc/60/44/55/1170604455.db2.gz	XHSWGMDUUOUALI-CQSZACIVSA-N	-1	0	314.301	0.613	20	30		DCEDRM
N#C[C@@]1(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CC12CCCC2	ZINC001608171954	1170609085	/nfs/dbraw/zinc/60/90/85/1170609085.db2.gz	KBOHMLXIPDLRSS-IINYFYTJSA-N	-1	0	303.322	0.322	20	30		DCEDRM
N#CCCCCS(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC001608181674	1170610969	/nfs/dbraw/zinc/61/09/69/1170610969.db2.gz	PIPIMDXHOFPBGN-WDEREUQCSA-N	-1	0	304.368	0.622	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001608182717	1170611692	/nfs/dbraw/zinc/61/16/92/1170611692.db2.gz	JZUYZEXTNKQZGA-BETUJISGSA-N	-1	0	309.366	0.172	20	30		DCEDRM
N#CCCN(CC(F)(F)F)C(=O)Cn1ccc(C(=O)[O-])n1	ZINC001608182806	1170611826	/nfs/dbraw/zinc/61/18/26/1170611826.db2.gz	NRUSZQDGKLAMLD-UHFFFAOYSA-N	-1	0	304.228	0.886	20	30		DCEDRM
N#Cc1ccc(C(=O)OCc2noc(CCC(=O)[O-])n2)nc1	ZINC001608199392	1170613743	/nfs/dbraw/zinc/61/37/43/1170613743.db2.gz	FQDNJWMECYXJMI-UHFFFAOYSA-N	-1	0	302.246	0.710	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)ccc1F	ZINC001608197592	1170613817	/nfs/dbraw/zinc/61/38/17/1170613817.db2.gz	HRTDWWMEPXTXBJ-UHFFFAOYSA-N	-1	0	310.306	0.935	20	30		DCEDRM
N#Cc1c(F)cc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1F	ZINC001608192105	1170613947	/nfs/dbraw/zinc/61/39/47/1170613947.db2.gz	JESZVHSVVRVVNY-UHFFFAOYSA-N	-1	0	307.216	0.834	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CC2CCS(=O)(=O)CC2)c1=O	ZINC001608196489	1170614013	/nfs/dbraw/zinc/61/40/13/1170614013.db2.gz	XPLHEOVVOYYMDP-UHFFFAOYSA-N	-1	0	310.331	0.243	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)cc1	ZINC001608209770	1170615946	/nfs/dbraw/zinc/61/59/46/1170615946.db2.gz	OBODGNAUAPPWKD-UHFFFAOYSA-N	-1	0	324.358	0.813	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])nc1	ZINC001608210973	1170615953	/nfs/dbraw/zinc/61/59/53/1170615953.db2.gz	WPHMXNWPDWCDTN-SECBINFHSA-N	-1	0	313.360	0.144	20	30		DCEDRM
N#Cc1ccc2[nH]c(NC(=O)Cn3ccc(C(=O)[O-])n3)nc2c1	ZINC001608213769	1170617069	/nfs/dbraw/zinc/61/70/69/1170617069.db2.gz	YEAXHGIYHLLMOL-UHFFFAOYSA-N	-1	0	310.273	0.968	20	30		DCEDRM
N#Cc1cccc(COC(=O)Cn2cc(C(=O)[O-])nn2)c1F	ZINC001608217268	1170617081	/nfs/dbraw/zinc/61/70/81/1170617081.db2.gz	VLHQXTZPRHFYNI-UHFFFAOYSA-N	-1	0	304.237	0.730	20	30		DCEDRM
N#Cc1cccc(C2(C(=O)N3CCO[C@H](C(=O)[O-])C3)CC2)c1	ZINC001608216918	1170617124	/nfs/dbraw/zinc/61/71/24/1170617124.db2.gz	ZZGMFKFSCPLVOZ-ZDUSSCGKSA-N	-1	0	300.314	0.902	20	30		DCEDRM
N#Cc1ccnc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c1	ZINC001608221561	1170618498	/nfs/dbraw/zinc/61/84/98/1170618498.db2.gz	JWCQKFIMCDOFMZ-AWEZNQCLSA-N	-1	0	300.274	0.399	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)Nc2nc(CC(=O)[O-])cs2)n1	ZINC001608225473	1170619630	/nfs/dbraw/zinc/61/96/30/1170619630.db2.gz	YDSPHGBQNDQYRI-UHFFFAOYSA-N	-1	0	321.322	0.055	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2CCCc3ccc(C(=O)[O-])cc32)n1	ZINC001608225137	1170619734	/nfs/dbraw/zinc/61/97/34/1170619734.db2.gz	GQGQVJAIQXZCFD-UHFFFAOYSA-N	-1	0	311.301	0.827	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC001609055067	1170794191	/nfs/dbraw/zinc/79/41/91/1170794191.db2.gz	VEEQWGUONMMMTA-VIFPVBQESA-N	-1	0	304.302	0.812	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC001609057697	1170794586	/nfs/dbraw/zinc/79/45/86/1170794586.db2.gz	DEBLNXKCHQDREW-JTQLQIEISA-N	-1	0	320.276	0.323	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC001609058248	1170794616	/nfs/dbraw/zinc/79/46/16/1170794616.db2.gz	UJWNQXJYQRKCHH-MRVPVSSYSA-N	-1	0	308.315	0.245	20	30		DCEDRM
C[C@H](C(=O)N(CC#N)C1CCCC1)n1cnc(-c2nnn[n-]2)n1	ZINC001609068581	1170798830	/nfs/dbraw/zinc/79/88/30/1170798830.db2.gz	SYFQJKFONJQONS-SECBINFHSA-N	-1	0	315.341	0.314	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)C(=O)[O-]	ZINC001609076535	1170800585	/nfs/dbraw/zinc/80/05/85/1170800585.db2.gz	PMPCZRDKKGLBOV-AAEUAGOBSA-N	-1	0	306.362	0.760	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC001609105176	1170808992	/nfs/dbraw/zinc/80/89/92/1170808992.db2.gz	NAHLQCBXGJDHBI-LBPRGKRZSA-N	-1	0	311.359	0.579	20	30		DCEDRM
C=C(C)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001609248249	1170896590	/nfs/dbraw/zinc/89/65/90/1170896590.db2.gz	HHIHGABCVKVZQO-UHFFFAOYSA-N	-1	0	319.317	0.132	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1	ZINC001609264321	1170902395	/nfs/dbraw/zinc/90/23/95/1170902395.db2.gz	LFYDUQBEJYVYCP-VXGBXAGGSA-N	-1	0	324.381	0.924	20	30		DCEDRM
C=CCN(CCOC)S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001609371834	1170951650	/nfs/dbraw/zinc/95/16/50/1170951650.db2.gz	YQGSIMSQTMNHKI-UHFFFAOYSA-N	-1	0	300.336	0.603	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCn1c(C)cc(O)cc1=O)C(=O)[O-]	ZINC001609432335	1170974997	/nfs/dbraw/zinc/97/49/97/1170974997.db2.gz	OEIILZXPHCUSRX-LBPRGKRZSA-N	-1	0	324.333	0.024	20	30		DCEDRM
Cc1ccccc1OCCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC001609436578	1170976880	/nfs/dbraw/zinc/97/68/80/1170976880.db2.gz	AHIFJFDLNALVNA-UHFFFAOYSA-N	-1	0	310.321	0.905	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC001609452822	1170983583	/nfs/dbraw/zinc/98/35/83/1170983583.db2.gz	ZPWVTPHTAZKDBC-ZDUSSCGKSA-N	-1	0	324.358	0.687	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC001609488580	1170995902	/nfs/dbraw/zinc/99/59/02/1170995902.db2.gz	FSQAWBVAUMFQFP-CYBMUJFWSA-N	-1	0	320.345	0.724	20	30		DCEDRM
C[C@@H](C#N)CN(CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O)C1CC1	ZINC001609631318	1171056428	/nfs/dbraw/zinc/05/64/28/1171056428.db2.gz	XPNKWOJKCRLWPN-BONVTDFDSA-N	-1	0	322.365	0.743	20	30		DCEDRM
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[C@@H](F)C(=O)[O-])C1=O	ZINC001609826334	1171096062	/nfs/dbraw/zinc/09/60/62/1171096062.db2.gz	HVMVLMFSHJKMCJ-YGRLFVJLSA-N	-1	0	305.265	0.748	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)Cn1nc(C(=O)[O-])cc1C(=O)OC	ZINC001609993170	1171132466	/nfs/dbraw/zinc/13/24/66/1171132466.db2.gz	ITJUONXBADIBQY-VIFPVBQESA-N	-1	0	322.321	0.376	20	30		DCEDRM
CCN(CCC#N)C(=O)Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O	ZINC001610000057	1171133006	/nfs/dbraw/zinc/13/30/06/1171133006.db2.gz	GVURFNRFAKTMHK-UHFFFAOYSA-N	-1	0	322.277	0.217	20	30		DCEDRM
CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C#N)C1	ZINC001610079919	1171150661	/nfs/dbraw/zinc/15/06/61/1171150661.db2.gz	YZPRHMZIZUBMDT-QMMMGPOBSA-N	-1	0	314.319	0.453	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(CCc2ccccc2C(=O)[O-])c1=O	ZINC001610085054	1171151979	/nfs/dbraw/zinc/15/19/79/1171151979.db2.gz	KFNWHCWZGBXJSF-UHFFFAOYSA-N	-1	0	313.313	0.842	20	30		DCEDRM
CN(CCC#N)C(=O)CCNC(C)(C)c1nocc1C(=O)[O-]	ZINC001610115203	1171161849	/nfs/dbraw/zinc/16/18/49/1171161849.db2.gz	YQJJCNONXSUXNU-UHFFFAOYSA-N	-1	0	308.338	0.960	20	30		DCEDRM
COC(=O)[C@H]1CCN(Cc2ccncc2C#N)[C@H](C(=O)[O-])C1	ZINC001610168035	1171184888	/nfs/dbraw/zinc/18/48/88/1171184888.db2.gz	GWFLZDSFZDVXJM-GWCFXTLKSA-N	-1	0	303.318	0.791	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)NCC2CCC(C#N)CC2)C[C@H]1C(=O)[O-]	ZINC001610392476	1171229555	/nfs/dbraw/zinc/22/95/55/1171229555.db2.gz	ANVKPKNZLYHSFU-IKWCTNDRSA-N	-1	0	321.377	0.612	20	30		DCEDRM
Cc1cc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)nn1CCC#N	ZINC001610472857	1171240952	/nfs/dbraw/zinc/24/09/52/1171240952.db2.gz	SYSSDKWYINKQSL-MNOVXSKESA-N	-1	0	321.337	0.405	20	30		DCEDRM
Cn1ccc([C@@H](NC(=O)c2ccc(C#N)c(O)c2)C(=O)[O-])n1	ZINC001610609755	1171267505	/nfs/dbraw/zinc/26/75/05/1171267505.db2.gz	OIQWMIQYGTWZKN-GFCCVEGCSA-N	-1	0	300.274	0.553	20	30		DCEDRM
N#CC1(CC(=O)OCC(=O)Nc2cccc(C(=O)[O-])n2)CC1	ZINC001610619983	1171270540	/nfs/dbraw/zinc/27/05/40/1171270540.db2.gz	VCVRZTJCCZYNEV-UHFFFAOYSA-N	-1	0	303.274	0.955	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NC2(C(=O)[O-])CCSCC2)nc1	ZINC001610629443	1171272598	/nfs/dbraw/zinc/27/25/98/1171272598.db2.gz	VPLBYCJIYOYSSM-UHFFFAOYSA-N	-1	0	320.374	0.832	20	30		DCEDRM
N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]N1CCCC1=O	ZINC001622437197	1171424681	/nfs/dbraw/zinc/42/46/81/1171424681.db2.gz	QIWXFGCJXFTFHG-UHFFFAOYSA-N	-1	0	310.291	0.282	20	30		DCEDRM
C=C(C)C[C@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC001633175315	1171635604	/nfs/dbraw/zinc/63/56/04/1171635604.db2.gz	AGWHYFQDKKIEJN-SECBINFHSA-N	-1	0	318.333	0.801	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001633812018	1171653650	/nfs/dbraw/zinc/65/36/50/1171653650.db2.gz	SAYPGWDHTUEMHA-UMSPYCQHSA-N	-1	0	300.318	0.129	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001638181287	1171792018	/nfs/dbraw/zinc/79/20/18/1171792018.db2.gz	BSKCSYNIKXDHEV-STQMWFEESA-N	-1	0	320.397	0.452	20	30		DCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)C(=O)C=Cc1ccc(F)cc1	ZINC001639078095	1171819955	/nfs/dbraw/zinc/81/99/55/1171819955.db2.gz	GAVGGZDVIORJEU-DAXSKMNVSA-N	-1	0	305.265	0.743	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C(=O)OC	ZINC001643611007	1171982113	/nfs/dbraw/zinc/98/21/13/1171982113.db2.gz	VXSWVTTZSOWUCH-JTQLQIEISA-N	-1	0	304.306	0.260	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC001645762328	1172129544	/nfs/dbraw/zinc/12/95/44/1172129544.db2.gz	XIKSTAQYEPACKS-NSHDSACASA-N	-1	0	308.359	0.963	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)[n-]c1C#N	ZINC001645777352	1172136072	/nfs/dbraw/zinc/13/60/72/1172136072.db2.gz	CIXGKHNOQWKXNT-MRVPVSSYSA-N	-1	0	319.346	0.306	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)Cn1ccc(C(F)F)n1	ZINC001646035933	1172226218	/nfs/dbraw/zinc/22/62/18/1172226218.db2.gz	YCKRSVBGFJMSGY-UHFFFAOYSA-N	-1	0	320.321	0.816	20	30		DCEDRM
C#CC1(O)CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1	ZINC001646157082	1172276623	/nfs/dbraw/zinc/27/66/23/1172276623.db2.gz	BHIQDMRHPDOUNX-UHFFFAOYSA-N	-1	0	314.301	0.036	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC(C)(C)CC(N)=O)cc1C#N	ZINC001649751254	1173199764	/nfs/dbraw/zinc/19/97/64/1173199764.db2.gz	RWTMPMVFDUCLEH-UHFFFAOYSA-N	-1	0	308.363	0.765	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)OC	ZINC001651069369	1173739141	/nfs/dbraw/zinc/73/91/41/1173739141.db2.gz	QFVKNXRNGSGRQT-NSHDSACASA-N	-1	0	315.285	0.325	20	30		DCEDRM
C=CCNc1ncc(C(=O)N[C@@H](COC)c2nnn[n-]2)s1	ZINC001651846472	1173754002	/nfs/dbraw/zinc/75/40/02/1173754002.db2.gz	DLTYBQPTKNJRKZ-ZETCQYMHSA-N	-1	0	309.355	0.372	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001665715672	1174557738	/nfs/dbraw/zinc/55/77/38/1174557738.db2.gz	UFKLEHCKPGIWCN-IAQYHMDHSA-N	-1	0	323.397	0.260	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001689457307	1176904993	/nfs/dbraw/zinc/90/49/93/1176904993.db2.gz	PPBWMZLYBSKEOT-IUCAKERBSA-N	-1	0	323.353	0.120	20	30		DCEDRM
CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[C@H](C)CO2)n1	ZINC001692131156	1177421648	/nfs/dbraw/zinc/42/16/48/1177421648.db2.gz	ZYXIGUIZANFIKO-WCQYABFASA-N	-1	0	318.377	0.336	20	30		DCEDRM
CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)C#CC1CC1	ZINC001704635568	1180096896	/nfs/dbraw/zinc/09/68/96/1180096896.db2.gz	FONMLEPQIBQPDI-LLVKDONJSA-N	-1	0	304.350	0.462	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001713506514	1180881161	/nfs/dbraw/zinc/88/11/61/1180881161.db2.gz	WVRYUKOYWYQOFY-LLVKDONJSA-N	-1	0	305.382	0.640	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001713707757	1181024770	/nfs/dbraw/zinc/02/47/70/1181024770.db2.gz	BGXWTTWCPPQXDX-JRPNMDOOSA-N	-1	0	321.381	0.013	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001714634798	1181453996	/nfs/dbraw/zinc/45/39/96/1181453996.db2.gz	VSIFNTQFPPOFBK-LLVKDONJSA-N	-1	0	305.382	0.498	20	30		DCEDRM
C#CCCCCC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001716838402	1182540493	/nfs/dbraw/zinc/54/04/93/1182540493.db2.gz	NGGIPPYPXAVHSG-OAHLLOKOSA-N	-1	0	305.382	0.785	20	30		DCEDRM
C[C@@H](CN(C)CC#N)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001722914521	1184231240	/nfs/dbraw/zinc/23/12/40/1184231240.db2.gz	BMRQKHJPZRLEAE-QMMMGPOBSA-N	-1	0	308.304	0.404	20	30		DCEDRM
CC(C)C#CC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001731464170	1185344630	/nfs/dbraw/zinc/34/46/30/1185344630.db2.gz	HEUIGHDWLVJFNQ-YHWZYXNKSA-N	-1	0	317.393	0.781	20	30		DCEDRM
C=CC(C)(C)C(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1	ZINC001731782815	1185486204	/nfs/dbraw/zinc/48/62/04/1185486204.db2.gz	XTOPUPAQQFDANR-UHFFFAOYSA-N	-1	0	317.393	0.783	20	30		DCEDRM
C#CCN1CC[C@@H]1CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001733215077	1186184274	/nfs/dbraw/zinc/18/42/74/1186184274.db2.gz	MMYLIIOWZRTSLZ-CQSZACIVSA-N	-1	0	304.394	0.199	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCCNC(=O)[C@H](C)C#N)c1[O-]	ZINC001735043683	1186787363	/nfs/dbraw/zinc/78/73/63/1186787363.db2.gz	RZGYWJOATBSRSJ-BDAKNGLRSA-N	-1	0	307.354	0.598	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCCCNC(=O)[C@@H](C)C#N)c1[O-]	ZINC001735669259	1186933858	/nfs/dbraw/zinc/93/38/58/1186933858.db2.gz	QXQVJTCEXWCPLP-UWVGGRQHSA-N	-1	0	321.381	0.988	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001737450105	1187338485	/nfs/dbraw/zinc/33/84/85/1187338485.db2.gz	ZXVGVKBUGVEKQF-YHAQOWFVSA-N	-1	0	322.365	0.128	20	30		DCEDRM
C#CCOCCC(=O)N(CC)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001737793694	1187407602	/nfs/dbraw/zinc/40/76/02/1187407602.db2.gz	BOUPYAOVQLWTQE-UHFFFAOYSA-N	-1	0	322.365	0.042	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001738115950	1187477519	/nfs/dbraw/zinc/47/75/19/1187477519.db2.gz	OYRKTNQPWIAJRJ-MEBBXXQBSA-N	-1	0	324.381	0.375	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)C#CC(C)(C)C)C2)c1[O-]	ZINC001744443757	1188207892	/nfs/dbraw/zinc/20/78/92/1188207892.db2.gz	QISMCNRYQFIRBP-PHIMTYICSA-N	-1	0	318.377	0.850	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCNC(=O)C2)n1	ZINC001771620832	1188358983	/nfs/dbraw/zinc/35/89/83/1188358983.db2.gz	AXCHLSXGLGIJQF-VHSXEESVSA-N	-1	0	321.358	0.697	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001753123908	1188507301	/nfs/dbraw/zinc/50/73/01/1188507301.db2.gz	RBWNSAAEKOQLNA-NEPJUHHUSA-N	-1	0	323.397	0.430	20	30		DCEDRM
N#CCNC[C@H]1CCC[C@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001753897729	1188674550	/nfs/dbraw/zinc/67/45/50/1188674550.db2.gz	NOMVEPVINLPMSI-NXEZZACHSA-N	-1	0	315.333	0.940	20	30		DCEDRM
C=C(C)CCC(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001759712236	1190277594	/nfs/dbraw/zinc/27/75/94/1190277594.db2.gz	GLSLHZNLZXZHRP-ONEGZZNKSA-N	-1	0	321.337	0.041	20	30		DCEDRM
CN(C)S(=O)(=O)[N-]C(=O)c1cc2ccccc2n1CC#N	ZINC001771600294	1190446459	/nfs/dbraw/zinc/44/64/59/1190446459.db2.gz	ZXBIRLFPPYZQDG-UHFFFAOYSA-N	-1	0	306.347	0.701	20	30		DCEDRM
Cc1cc(C(=O)[O-])ccc1-n1c(N)c(C#N)c(N)nc1=NC1CC1	ZINC001211618885	747523945	/nfs/dbraw/zinc/52/39/45/747523945.db2.gz	WEWMSNKHERKKEU-UHFFFAOYSA-N	-1	0	324.344	0.978	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNc2ccnc(C#N)n2)c1[O-]	ZINC001104532215	747691886	/nfs/dbraw/zinc/69/18/86/747691886.db2.gz	WEGCYVRLXQMWCD-QMMMGPOBSA-N	-1	0	315.337	0.080	20	30		DCEDRM
Cn1nc([C@@H]2CCCO2)cc1NC(=O)N[C@H]1CCCN(O)C1=O	ZINC001204741810	748784369	/nfs/dbraw/zinc/78/43/69/748784369.db2.gz	OHIZJPXRQCRPTC-ONGXEEELSA-N	-1	0	323.353	0.773	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCNc2ccnc(C#N)n2)c1[O-]	ZINC001106282655	751084431	/nfs/dbraw/zinc/08/44/31/751084431.db2.gz	DATCHTLTPBAMHP-MRVPVSSYSA-N	-1	0	315.337	0.128	20	30		DCEDRM
C=CCCC(=O)NC[C@@H]1COCCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001061406202	753863401	/nfs/dbraw/zinc/86/34/01/753863401.db2.gz	IIZMRDFXZLXAJU-LLVKDONJSA-N	-1	0	322.365	0.347	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001049371115	755239331	/nfs/dbraw/zinc/23/93/31/755239331.db2.gz	DWFFEVPDHILFNB-MXWKQRLJSA-N	-1	0	304.354	0.235	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001054101758	756364733	/nfs/dbraw/zinc/36/47/33/756364733.db2.gz	DQPVUINISZPEGI-XHDPSFHLSA-N	-1	0	318.381	0.484	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001054101757	756365450	/nfs/dbraw/zinc/36/54/50/756365450.db2.gz	DQPVUINISZPEGI-NHYWBVRUSA-N	-1	0	318.381	0.484	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](C)[C@H](NCC#N)C2)cc1=O	ZINC001054873124	756662225	/nfs/dbraw/zinc/66/22/25/756662225.db2.gz	UVGXXYNUEPDDDP-TZMCWYRMSA-N	-1	0	319.409	0.335	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)[N-]CC(F)(F)CN	ZINC001580060389	1165487525	/nfs/dbraw/zinc/48/75/25/1165487525.db2.gz	YEWSRCMGADETOP-UHFFFAOYSA-N	-1	0	307.297	0.711	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(C(=O)NC2CC2)cc1)C(=O)[O-]	ZINC000820352808	758138469	/nfs/dbraw/zinc/13/84/69/758138469.db2.gz	LUUUIFVPNKFUDR-ZDUSSCGKSA-N	-1	0	300.314	0.785	20	30		DCEDRM
N#CCN[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]n2c1nccc2=O	ZINC001085356425	758829473	/nfs/dbraw/zinc/82/94/73/758829473.db2.gz	WVVYONIIHDUVIW-VXGBXAGGSA-N	-1	0	314.349	0.177	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)c2ccncc2C#N)c1[O-]	ZINC001108901798	761129260	/nfs/dbraw/zinc/12/92/60/761129260.db2.gz	RZIAASNARHZTGO-VIFPVBQESA-N	-1	0	314.349	0.945	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](C)O[C@]3(CCN(CC#N)C3)C2)c1[O-]	ZINC001071157192	761666526	/nfs/dbraw/zinc/66/65/26/761666526.db2.gz	UKEJPGYBLQLZQZ-BONVTDFDSA-N	-1	0	319.365	0.253	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCCO2)c1	ZINC000813984309	765299568	/nfs/dbraw/zinc/29/95/68/765299568.db2.gz	RMXKKOJAZOXJNG-NSHDSACASA-N	-1	0	309.347	0.717	20	30		DCEDRM
Cc1cncc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)c1	ZINC000813984157	765301040	/nfs/dbraw/zinc/30/10/40/765301040.db2.gz	LSEZOOASPMJYFM-UHFFFAOYSA-N	-1	0	302.315	0.775	20	30		DCEDRM
C=CCOCC(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001111660554	765345807	/nfs/dbraw/zinc/34/58/07/765345807.db2.gz	NJJSEYDHQUAXTB-NHYWBVRUSA-N	-1	0	321.381	0.184	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@@H](C)C[C@H](C)NCC#N)cc1=O	ZINC001134912510	765732490	/nfs/dbraw/zinc/73/24/90/765732490.db2.gz	ABNKIICXYHEZIA-STQMWFEESA-N	-1	0	321.425	0.771	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)C(=O)[N-]OC1CCCCC1	ZINC001117587598	766098118	/nfs/dbraw/zinc/09/81/18/766098118.db2.gz	XQNANAHQKUAMKM-UHFFFAOYSA-N	-1	0	318.395	0.084	20	30		DCEDRM
N#CCc1ccc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)cc1	ZINC001118228633	766261055	/nfs/dbraw/zinc/26/10/55/766261055.db2.gz	VQHPXZNQPZVSMO-AWEZNQCLSA-N	-1	0	317.345	0.453	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccccc1CC(=O)NC	ZINC001118313870	766285451	/nfs/dbraw/zinc/28/54/51/766285451.db2.gz	RKURETUWUHAPMU-JTQLQIEISA-N	-1	0	305.334	0.536	20	30		DCEDRM
COCCCCS(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC001118542715	766354087	/nfs/dbraw/zinc/35/40/87/766354087.db2.gz	VKSYYAFHGGAPTG-UHFFFAOYSA-N	-1	0	318.395	0.569	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)[nH]c(=O)n2C	ZINC001122407254	767794334	/nfs/dbraw/zinc/79/43/34/767794334.db2.gz	DXBDUKHPYAWDRY-SNVBAGLBSA-N	-1	0	316.317	0.364	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@H](C)C1	ZINC001122512679	767821184	/nfs/dbraw/zinc/82/11/84/767821184.db2.gz	PHXORTYEFZIAPC-SNVBAGLBSA-N	-1	0	304.354	0.303	20	30		DCEDRM
C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001093131350	768471719	/nfs/dbraw/zinc/47/17/19/768471719.db2.gz	MANAWTPKPJDNHF-NXEZZACHSA-N	-1	0	315.333	0.750	20	30		DCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C#N)n1C	ZINC000835032877	768532911	/nfs/dbraw/zinc/53/29/11/768532911.db2.gz	MNHMLCNXTDPPOG-UHFFFAOYSA-N	-1	0	321.362	0.366	20	30		DCEDRM
C=CCN1CC(OC2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)C1	ZINC001093528615	768603549	/nfs/dbraw/zinc/60/35/49/768603549.db2.gz	LFZBHUIAYIJWGL-UHFFFAOYSA-N	-1	0	320.393	0.915	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCNc2cncc(C#N)n2)c1[O-]	ZINC001094390744	769025832	/nfs/dbraw/zinc/02/58/32/769025832.db2.gz	KAELFELQRXNIJN-UHFFFAOYSA-N	-1	0	301.310	0.317	20	30		DCEDRM
CSCC[C@H](NC(N)=O)C(=O)[N-]Oc1cccc(C#N)c1	ZINC001151438114	769342353	/nfs/dbraw/zinc/34/23/53/769342353.db2.gz	WBSSHHNYEKGFSW-NSHDSACASA-N	-1	0	308.363	0.758	20	30		DCEDRM
C=CCOCCCC(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001233489829	769374189	/nfs/dbraw/zinc/37/41/89/769374189.db2.gz	MYCPIVQCKACOOD-GFCCVEGCSA-N	-1	0	323.397	0.526	20	30		DCEDRM
N#C[C@@H]1COCCN1C(=O)c1sc(C(=O)[O-])c2c1OCCO2	ZINC001152705098	769625328	/nfs/dbraw/zinc/62/53/28/769625328.db2.gz	XIZXYBQCAGNNCM-SSDOTTSWSA-N	-1	0	324.314	0.582	20	30		DCEDRM
N#Cc1ccc2nc(=O)[n-]c(O[C@H]3CCS(=O)(=O)C3)c2c1	ZINC001234530891	769683253	/nfs/dbraw/zinc/68/32/53/769683253.db2.gz	OBMVJMYFMDQDFD-VIFPVBQESA-N	-1	0	305.315	0.773	20	30		DCEDRM
C=CCCC(=O)N1CC[C@H]2OCCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1	ZINC001176955430	770254902	/nfs/dbraw/zinc/25/49/02/770254902.db2.gz	SXGRIJCAOPWUOR-VXGBXAGGSA-N	-1	0	321.381	0.278	20	30		DCEDRM
Nc1[nH]c(=O)[nH]c(=O)c1NC(=O)C#Cc1ccc(F)cc1F	ZINC001178568664	770801268	/nfs/dbraw/zinc/80/12/68/770801268.db2.gz	QTUXXYZOPULMJV-UHFFFAOYSA-N	-1	0	306.228	0.738	20	30		DCEDRM
N#C[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)CCC(=O)[O-]	ZINC001183612828	771672664	/nfs/dbraw/zinc/67/26/64/771672664.db2.gz	IOCCTSNLBZMAOK-LLVKDONJSA-N	-1	0	304.302	0.625	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)c1cc(C2CC2)nc(SC)c1C#N	ZINC001157834685	771678577	/nfs/dbraw/zinc/67/85/77/771678577.db2.gz	BOIBPXPPXUFSGS-UHFFFAOYSA-N	-1	0	320.374	0.960	20	30		DCEDRM
COC(=O)[C@H]1CCN(CC(=O)Nc2cc(C#N)c(F)cc2[O-])C1	ZINC001186110442	772007222	/nfs/dbraw/zinc/00/72/22/772007222.db2.gz	UOZFAAGXCNZWRL-VIFPVBQESA-N	-1	0	321.308	0.836	20	30		DCEDRM
COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C#N)cc1	ZINC001186976469	772117986	/nfs/dbraw/zinc/11/79/86/772117986.db2.gz	CVVCRVMNPKEBEF-LDYMZIIASA-N	-1	0	323.330	0.829	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(=O)OC	ZINC001161365966	772211156	/nfs/dbraw/zinc/21/11/56/772211156.db2.gz	ZGQHCTFVLRTREA-JTQLQIEISA-N	-1	0	319.342	0.675	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001187737544	772219892	/nfs/dbraw/zinc/21/98/92/772219892.db2.gz	VHBHEJXDPBUTSG-NWDGAFQWSA-N	-1	0	303.366	0.347	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@H](NCC#N)C1	ZINC001188057425	772266474	/nfs/dbraw/zinc/26/64/74/772266474.db2.gz	DHFCHTWPEGNNKB-MRVPVSSYSA-N	-1	0	306.288	0.158	20	30		DCEDRM
[NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)c1ccc[nH]1	ZINC001188582438	772328946	/nfs/dbraw/zinc/32/89/46/772328946.db2.gz	UUKSNKPEUFFUNB-VIFPVBQESA-N	-1	0	323.311	0.171	20	30		DCEDRM
C=CCN1CCN(C(=O)c2ccccc2S(=O)(=O)[O-])CC1	ZINC001189683873	772512948	/nfs/dbraw/zinc/51/29/48/772512948.db2.gz	UEAHOOPLZZNEGD-UHFFFAOYSA-N	-1	0	310.375	0.877	20	30		DCEDRM
C#C[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-]	ZINC001191045792	772718295	/nfs/dbraw/zinc/71/82/95/772718295.db2.gz	JFCOIXIGCCTSIR-ZCFIWIBFSA-N	-1	0	302.739	0.445	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2noc(-c3cccs3)n2)c1=O	ZINC001166382961	772806481	/nfs/dbraw/zinc/80/64/81/772806481.db2.gz	HPDSZHWVRVPNSH-UHFFFAOYSA-N	-1	0	301.287	0.568	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cnn(C)c(=O)c1Br	ZINC001193193684	773021906	/nfs/dbraw/zinc/02/19/06/773021906.db2.gz	NBMYVKRVGVCYTL-YFKPBYRVSA-N	-1	0	321.156	0.197	20	30		DCEDRM
C=CCOCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001206778868	773106359	/nfs/dbraw/zinc/10/63/59/773106359.db2.gz	NSZDGYLFOPQQPT-VXGBXAGGSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C#CCCCCC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001195541572	773431309	/nfs/dbraw/zinc/43/13/09/773431309.db2.gz	XOVCHUPYFKZSLU-UHFFFAOYSA-N	-1	0	305.382	0.738	20	30		DCEDRM
CC(C)(C)C#CC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001195785186	773478871	/nfs/dbraw/zinc/47/88/71/773478871.db2.gz	GCPVUEOTZGNRLC-UHFFFAOYSA-N	-1	0	305.382	0.594	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1nc(C)c(C#N)cc1C#N	ZINC001195939408	773498037	/nfs/dbraw/zinc/49/80/37/773498037.db2.gz	WMOZZRMBJXNUEA-UHFFFAOYSA-N	-1	0	308.319	0.438	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)Cc1c(F)cccc1F	ZINC001197623076	773771013	/nfs/dbraw/zinc/77/10/13/773771013.db2.gz	RQXGCHCQNRIIAM-LLVKDONJSA-N	-1	0	318.301	0.839	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(N)=O)cc1C#N	ZINC001201292756	774477617	/nfs/dbraw/zinc/47/76/17/774477617.db2.gz	LBNOVIPLPGNOLD-UHFFFAOYSA-N	-1	0	319.346	0.500	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1noc(COC)n1	ZINC001222463462	775359193	/nfs/dbraw/zinc/35/91/93/775359193.db2.gz	PLRFXVQHPLQSRT-SECBINFHSA-N	-1	0	322.339	0.192	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCN1CCCCO1	ZINC001224282533	775552917	/nfs/dbraw/zinc/55/29/17/775552917.db2.gz	MFFDOECCNSGIKI-GFCCVEGCSA-N	-1	0	309.384	0.489	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(C)nc1CO	ZINC001225287873	775663395	/nfs/dbraw/zinc/66/33/95/775663395.db2.gz	VICVECBDEQJYJJ-NSHDSACASA-N	-1	0	317.363	0.720	20	30		DCEDRM
C#C[C@H](COc1cccc(Cl)c1)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225831838	775727191	/nfs/dbraw/zinc/72/71/91/775727191.db2.gz	ZVCZJIMWMUEMKT-SECBINFHSA-N	-1	0	320.684	0.461	20	30		DCEDRM
CC(=O)OC[C@@H](COc1[n-]c(=O)c(F)cc1C#N)OC(C)=O	ZINC001226013622	775755341	/nfs/dbraw/zinc/75/53/41/775755341.db2.gz	OVOBRIQSSKDBCV-JTQLQIEISA-N	-1	0	312.253	0.672	20	30		DCEDRM
CN1[C@@H]2C[C@@H](Oc3nc4ncnc-4c(S)[n-]3)C[C@H]1[C@@H]1O[C@@H]12	ZINC001226786449	775876944	/nfs/dbraw/zinc/87/69/44/775876944.db2.gz	RFDASVKUJRIQCX-WQDSJKFHSA-N	-1	0	305.363	0.633	20	30		DCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1[n-]c(=O)nc2cnccc21	ZINC001226974906	775903624	/nfs/dbraw/zinc/90/36/24/775903624.db2.gz	SJVQNQOQOJKADT-SECBINFHSA-N	-1	0	302.290	0.932	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001227281763	775955622	/nfs/dbraw/zinc/95/56/22/775955622.db2.gz	WRTISKRNMPZRQS-UHFFFAOYSA-N	-1	0	305.382	0.640	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1n[nH]c(=O)c(C)c1C	ZINC001228152290	776053147	/nfs/dbraw/zinc/05/31/47/776053147.db2.gz	XUCUHYFUVSMIEF-SNVBAGLBSA-N	-1	0	318.351	0.637	20	30		DCEDRM
N#CCCN1CC(Oc2ccc(-n3nn[n-]c3=S)cc2)C1	ZINC001228438909	776082740	/nfs/dbraw/zinc/08/27/40/776082740.db2.gz	RZLKDYIPTBFOAW-UHFFFAOYSA-N	-1	0	302.363	0.928	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccccc1/C=N/N	ZINC001229293399	776177430	/nfs/dbraw/zinc/17/74/30/776177430.db2.gz	NQJWIBVORBSHRY-AZZDOICSSA-N	-1	0	314.363	0.817	20	30		DCEDRM
N#CCCCCS(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001601066042	1168580560	/nfs/dbraw/zinc/58/05/60/1168580560.db2.gz	YUHOWLLEAQZDHD-WCQYABFASA-N	-1	0	316.379	0.433	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@]1([C@H]2CCCCO2)CCCO1	ZINC001601072722	1168581775	/nfs/dbraw/zinc/58/17/75/1168581775.db2.gz	VMIWBYIYXYVXAY-DOMZBBRYSA-N	-1	0	310.350	0.932	20	30		DCEDRM
N#Cc1ccc(CSCC(=O)N2CC(O)(C(=O)[O-])C2)cc1	ZINC001601103475	1168585787	/nfs/dbraw/zinc/58/57/87/1168585787.db2.gz	QQAKSXHREUVNPO-UHFFFAOYSA-N	-1	0	306.343	0.449	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC001602757050	1169178664	/nfs/dbraw/zinc/17/86/64/1169178664.db2.gz	FBWBNQOOTFFXQM-SECBINFHSA-N	-1	0	311.319	0.921	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F)C(=O)[O-]	ZINC001602845942	1169192897	/nfs/dbraw/zinc/19/28/97/1169192897.db2.gz	ZIROINNXQUAWCT-FXQIFTODSA-N	-1	0	309.240	0.874	20	30		DCEDRM
C#CCN1CC2(CN(Cc3ccc(C(=O)[O-])cc3)C2)OCC1=O	ZINC001272969734	945161198	/nfs/dbraw/zinc/16/11/98/945161198.db2.gz	VAXXGRAPOXKESR-UHFFFAOYSA-N	-1	0	314.341	0.431	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001266749236	939228445	/nfs/dbraw/zinc/22/84/45/939228445.db2.gz	FXCRQAISSVINLH-GFCCVEGCSA-N	-1	0	305.382	0.498	20	30		DCEDRM
N#Cc1cccc(C(=O)Nn2c(=O)[n-][nH]c2=O)c1Br	ZINC001417884451	939233770	/nfs/dbraw/zinc/23/37/70/939233770.db2.gz	WXGVVIVZOOMENL-UHFFFAOYSA-N	-1	0	324.094	0.707	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CC[C@H](CNCC#N)C2)cc1=O	ZINC001267048595	939323451	/nfs/dbraw/zinc/32/34/51/939323451.db2.gz	YONNBHLDNDYYOR-CYBMUJFWSA-N	-1	0	319.409	0.337	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001269221861	940652244	/nfs/dbraw/zinc/65/22/44/940652244.db2.gz	QGTWDTQRXUPFEM-NEPJUHHUSA-N	-1	0	323.397	0.524	20	30		DCEDRM
C=CCOc1ccccc1C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000321600550	970787293	/nfs/dbraw/zinc/78/72/93/970787293.db2.gz	XWEVPRNKQYHMMD-UHFFFAOYSA-N	-1	0	316.317	0.971	20	30		DCEDRM
C=CCN1C(=O)COCC12CN(C(=O)c1ccncc1[O-])C2	ZINC001271402147	941367679	/nfs/dbraw/zinc/36/76/79/941367679.db2.gz	LNJYIULPMGFXNC-UHFFFAOYSA-N	-1	0	303.318	0.027	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H](OCCO)C1	ZINC001412841657	942091860	/nfs/dbraw/zinc/09/18/60/942091860.db2.gz	RXUANMDVONFSCH-LBPRGKRZSA-N	-1	0	305.334	0.581	20	30		DCEDRM
COc1cccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1OC	ZINC001412873442	942118966	/nfs/dbraw/zinc/11/89/66/942118966.db2.gz	JOFCHPYHPXFGON-UHFFFAOYSA-N	-1	0	316.317	0.575	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H]2C[C@H]2c2ccccc2)c(=O)[n-]c1=O	ZINC001412902269	942130953	/nfs/dbraw/zinc/13/09/53/942130953.db2.gz	WVTZNPFBHCZRPP-STQMWFEESA-N	-1	0	310.313	0.493	20	30		DCEDRM
CSCC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)N(C)C	ZINC001611089112	970887580	/nfs/dbraw/zinc/88/75/80/970887580.db2.gz	CYJFMZXEIQMBKO-TVQRCGJNSA-N	-1	0	315.395	0.317	20	30		DCEDRM
N#Cc1cnc(NC[C@H](O)CNC(=O)c2ccccc2O)cn1	ZINC001105756382	942538309	/nfs/dbraw/zinc/53/83/09/942538309.db2.gz	UGIJVLKHRFNECX-NSHDSACASA-N	-1	0	313.317	0.257	20	30		DCEDRM
C[C@@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1cccs1	ZINC001413313858	942623787	/nfs/dbraw/zinc/62/37/87/942623787.db2.gz	ZNZNEVCPXKUFOQ-SECBINFHSA-N	-1	0	318.358	0.802	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H](C)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001491288211	943897428	/nfs/dbraw/zinc/89/74/28/943897428.db2.gz	RZKLLOOIUNPRAG-STQMWFEESA-N	-1	0	319.409	0.886	20	30		DCEDRM
C[C@H](CCCNCC#N)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001277336099	944768657	/nfs/dbraw/zinc/76/86/57/944768657.db2.gz	YDFAOCQDEDHATD-SECBINFHSA-N	-1	0	303.322	0.940	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC001320064297	945731744	/nfs/dbraw/zinc/73/17/44/945731744.db2.gz	QRCBXDOFCGAYJX-SNVBAGLBSA-N	-1	0	316.317	0.853	20	30		DCEDRM
C=CC(C)(C)CCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001253520053	946127351	/nfs/dbraw/zinc/12/73/51/946127351.db2.gz	QYEOHBWWGLNQNA-UHFFFAOYSA-N	-1	0	319.365	0.722	20	30		DCEDRM
C=CC[C@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC001321167193	946197882	/nfs/dbraw/zinc/19/78/82/946197882.db2.gz	RRUHMPXJEKNZTN-JTQLQIEISA-N	-1	0	320.301	0.291	20	30		DCEDRM
C#CC[S@@](=O)Cc1cn(-c2ccc(C(=O)[O-])c(O)c2)nn1	ZINC001254096696	946313262	/nfs/dbraw/zinc/31/32/62/946313262.db2.gz	RPFFIYPXOOSDBX-OAQYLSRUSA-N	-1	0	305.315	0.553	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](NC(=O)c1ccccn1)C(C)C	ZINC001602679207	971259220	/nfs/dbraw/zinc/25/92/20/971259220.db2.gz	LBFZHAXNMNYRCF-AWEZNQCLSA-N	-1	0	317.345	0.382	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]([C@H]1CCOC1)C(F)(F)F	ZINC001602684090	971278636	/nfs/dbraw/zinc/27/86/36/971278636.db2.gz	QCMJHJALNVQTLI-WCBMZHEXSA-N	-1	0	308.256	0.683	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1	ZINC001602684063	971277890	/nfs/dbraw/zinc/27/78/90/971277890.db2.gz	PEISVCDNKIKHFI-LBPRGKRZSA-N	-1	0	321.377	0.649	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(C(=O)NC)cc1	ZINC001602686264	971287712	/nfs/dbraw/zinc/28/77/12/971287712.db2.gz	YGIMYEIHCBXFSM-UHFFFAOYSA-N	-1	0	303.318	0.276	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)[N-]c2cccnc2C(N)=O)ccc1F	ZINC001259412749	946955818	/nfs/dbraw/zinc/95/58/18/946955818.db2.gz	QPMXZKYAXAKIGQ-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)N[C@@H]1CCOc2ccccc21	ZINC001602695473	971307317	/nfs/dbraw/zinc/30/73/17/971307317.db2.gz	HBNNQUFVHKJDFA-CYBMUJFWSA-N	-1	0	302.330	0.646	20	30		DCEDRM
CCOC(=O)[C@H](CS)NS(=O)(=O)CCC(F)(F)F	ZINC001259873622	947005204	/nfs/dbraw/zinc/00/52/04/947005204.db2.gz	AVCIHULTFCDGPY-LURJTMIESA-N	-1	0	309.331	0.720	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(C)C)n1C[C@H]1CCOC1	ZINC001602699028	971314677	/nfs/dbraw/zinc/31/46/77/971314677.db2.gz	CECNBSCGMLBXHI-GFCCVEGCSA-N	-1	0	306.366	0.962	20	30		DCEDRM
COCCS(=O)(=O)[N-]c1c(C#N)cnn1-c1ccccn1	ZINC001259965957	947040949	/nfs/dbraw/zinc/04/09/49/947040949.db2.gz	AMRXLMWKZCMHPG-UHFFFAOYSA-N	-1	0	307.335	0.527	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]c2oncc2C(N)=O)cc1	ZINC001260039166	947051746	/nfs/dbraw/zinc/05/17/46/947051746.db2.gz	RKHWXQITAQMSSW-UHFFFAOYSA-N	-1	0	306.303	0.587	20	30		DCEDRM
COC(=O)C([N-]S(=O)(=O)Cc1ccc(C#N)cc1)=C(C)O	ZINC001260047455	947053609	/nfs/dbraw/zinc/05/36/09/947053609.db2.gz	GFIHRYGCRILTHG-LBPRGKRZSA-N	-1	0	310.331	0.108	20	30		DCEDRM
CC(C)(S)C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260180428	947078274	/nfs/dbraw/zinc/07/82/74/947078274.db2.gz	PWAVVTMUPUJPSM-UHFFFAOYSA-N	-1	0	321.815	0.764	20	30		DCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1cccc2nonc21	ZINC001260436117	947102571	/nfs/dbraw/zinc/10/25/71/947102571.db2.gz	NERJSEYIRXEKKS-UHFFFAOYSA-N	-1	0	304.291	0.629	20	30		DCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260954194	947155888	/nfs/dbraw/zinc/15/58/88/947155888.db2.gz	FUVVTLVLLTZRTN-UHFFFAOYSA-N	-1	0	305.323	0.536	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC001602707214	971342546	/nfs/dbraw/zinc/34/25/46/971342546.db2.gz	MHKNFOOJIAIYMT-SRVKXCTJSA-N	-1	0	312.366	0.263	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC001602707482	971344723	/nfs/dbraw/zinc/34/47/23/971344723.db2.gz	WYSCVBAGFVXBNF-WOPDTQHZSA-N	-1	0	318.395	0.351	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C)c2ccccc21	ZINC001324193891	947347386	/nfs/dbraw/zinc/34/73/86/947347386.db2.gz	XSZIHCQPMILFCG-LBPRGKRZSA-N	-1	0	320.370	0.606	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1	ZINC001261885367	947472502	/nfs/dbraw/zinc/47/25/02/947472502.db2.gz	CXZFWOCQXDVOQP-JTQLQIEISA-N	-1	0	321.420	0.366	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001602731073	971411338	/nfs/dbraw/zinc/41/13/38/971411338.db2.gz	QTYLVDJUUAVHMN-ASHKBJFXSA-N	-1	0	310.350	0.320	20	30		DCEDRM
Cc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)o1	ZINC000813983767	947658421	/nfs/dbraw/zinc/65/84/21/947658421.db2.gz	DJVAZQURSJMVIY-UHFFFAOYSA-N	-1	0	306.303	0.677	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cn(C[C@H]2CCOC2)nn1	ZINC001263296647	947828362	/nfs/dbraw/zinc/82/83/62/947828362.db2.gz	LVFZUXXTKPEJBL-VXGBXAGGSA-N	-1	0	317.349	0.259	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@H](CC)C1	ZINC001263330879	947831412	/nfs/dbraw/zinc/83/14/12/947831412.db2.gz	YBQOQFIDMSGAJS-LLVKDONJSA-N	-1	0	318.381	0.693	20	30		DCEDRM
COC(=O)c1scc([N-]S(=O)(=O)CC#N)c1C(=O)OC	ZINC001192938677	948005487	/nfs/dbraw/zinc/00/54/87/948005487.db2.gz	FXNOUGLSBGHAQF-UHFFFAOYSA-N	-1	0	318.332	0.587	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1	ZINC001326222849	948099836	/nfs/dbraw/zinc/09/98/36/948099836.db2.gz	SSGAUUSEUJZEAJ-JHJVBQTASA-N	-1	0	324.377	0.359	20	30		DCEDRM
CCn1nc(C)c(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)c1C	ZINC001570922515	948643364	/nfs/dbraw/zinc/64/33/64/948643364.db2.gz	JBYKELLKDMXWJT-UHFFFAOYSA-N	-1	0	324.352	0.974	20	30		DCEDRM
N#Cc1ncc(N2CCC(n3ccnc3)CC2)nc1-c1nnn[n-]1	ZINC001570932635	948862272	/nfs/dbraw/zinc/86/22/72/948862272.db2.gz	VFJFJYUPCNTDOW-UHFFFAOYSA-N	-1	0	322.336	0.566	20	30		DCEDRM
C[C@H](C#N)CN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001602786046	971531574	/nfs/dbraw/zinc/53/15/74/971531574.db2.gz	CPJMJAHUIJKEJU-PWSUYJOCSA-N	-1	0	307.350	0.460	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2ccc3c(c2)nnn3C)c1=O	ZINC001328984791	949259834	/nfs/dbraw/zinc/25/98/34/949259834.db2.gz	MKHITMRDBRJDQI-UHFFFAOYSA-N	-1	0	301.335	0.399	20	30		DCEDRM
O=C([O-])c1ccc(C=NNC2CCS(=O)(=O)CC2)s1	ZINC001595225762	949290251	/nfs/dbraw/zinc/29/02/51/949290251.db2.gz	ANGXMDVYRVELAB-UHFFFAOYSA-N	-1	0	302.377	0.947	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC[C@@H]2c2ccc[nH]2)c(=O)[n-]c1=O	ZINC001364481836	949396907	/nfs/dbraw/zinc/39/69/07/949396907.db2.gz	GLTBGYIIXZSICO-GFCCVEGCSA-N	-1	0	313.317	0.512	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2C[C@H]2C(F)(F)F)c(=O)[n-]c1=O	ZINC001364550215	949538579	/nfs/dbraw/zinc/53/85/79/949538579.db2.gz	SNSDROYNTULXTF-HTQZYQBOSA-N	-1	0	316.239	0.278	20	30		DCEDRM
O=C([O-])[C@H]1CC(=O)N(CN2CCC3(CC2)CC(=O)C=CO3)C1	ZINC001595279997	949966363	/nfs/dbraw/zinc/96/63/63/949966363.db2.gz	HMZBIIKAPUVIGE-NSHDSACASA-N	-1	0	308.334	0.215	20	30		DCEDRM
CC(C)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001329933365	949988532	/nfs/dbraw/zinc/98/85/32/949988532.db2.gz	AJBMDQFAUDKWSW-NJERVBSYSA-N	-1	0	323.349	0.376	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1	ZINC001330341003	950289997	/nfs/dbraw/zinc/28/99/97/950289997.db2.gz	XLRJIWMDIVGJMP-CNDDSTCGSA-N	-1	0	317.393	0.661	20	30		DCEDRM
COC(=O)c1cc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)n(C)n1	ZINC001364998766	950330749	/nfs/dbraw/zinc/33/07/49/950330749.db2.gz	VGMFKYHGBSCZMB-UHFFFAOYSA-N	-1	0	315.289	0.740	20	30		DCEDRM
Cn1ncc2c1nc(N=NC1CCC[S@@](=O)CC1)[n-]c2=O	ZINC001330649623	950572999	/nfs/dbraw/zinc/57/29/99/950572999.db2.gz	WQISONPBSFXCLQ-OAQYLSRUSA-N	-1	0	308.367	0.769	20	30		DCEDRM
CC1(C)CCC[C@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365346966	951004574	/nfs/dbraw/zinc/00/45/74/951004574.db2.gz	IXIIOMYCIDWZHK-LLVKDONJSA-N	-1	0	319.365	0.698	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)NC/C=C\C3CC3)C2)c(=O)[n-]c1=O	ZINC001331534950	951161486	/nfs/dbraw/zinc/16/14/86/951161486.db2.gz	WIMVLTVYWZNOMD-UPHRSURJSA-N	-1	0	315.333	0.353	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001280997125	951212473	/nfs/dbraw/zinc/21/24/73/951212473.db2.gz	USVGVNXIEYRPDN-JTQLQIEISA-N	-1	0	324.381	0.593	20	30		DCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000717436655	951477833	/nfs/dbraw/zinc/47/78/33/951477833.db2.gz	BYQATZMWIXFEPI-QMMMGPOBSA-N	-1	0	301.320	0.219	20	30		DCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000717438425	951477897	/nfs/dbraw/zinc/47/78/97/951477897.db2.gz	YVMVDPWPDSXCJY-ZETCQYMHSA-N	-1	0	305.739	0.863	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC001411609961	952321821	/nfs/dbraw/zinc/32/18/21/952321821.db2.gz	AXKGNCZBGYJUOB-SNVBAGLBSA-N	-1	0	309.347	0.226	20	30		DCEDRM
Cc1cc(C)c(C#N)c(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1	ZINC001412229434	952703015	/nfs/dbraw/zinc/70/30/15/952703015.db2.gz	LEIOQKPBXLTOKD-UHFFFAOYSA-N	-1	0	323.316	0.593	20	30		DCEDRM
CS(=O)(=O)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)s1	ZINC001412289558	952733591	/nfs/dbraw/zinc/73/35/91/952733591.db2.gz	FWAHOXVFLLIXCN-UHFFFAOYSA-N	-1	0	321.343	0.870	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1	ZINC001412309313	952743259	/nfs/dbraw/zinc/74/32/59/952743259.db2.gz	HSDKZJYBZSMULB-GXSJLCMTSA-N	-1	0	316.317	0.538	20	30		DCEDRM
COC(=O)c1cc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)nn1C	ZINC001412398915	952778188	/nfs/dbraw/zinc/77/81/88/952778188.db2.gz	DTKSXHRDQAEXET-UHFFFAOYSA-N	-1	0	315.289	0.740	20	30		DCEDRM
N#CC1(CC(=O)N2CCC(c3nnn[n-]3)CC2)CCOCC1	ZINC001412488303	952839762	/nfs/dbraw/zinc/83/97/62/952839762.db2.gz	LECZIAMAAVSZNC-UHFFFAOYSA-N	-1	0	304.354	0.616	20	30		DCEDRM
N#CCCN(CC1CC1)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001412530835	952873503	/nfs/dbraw/zinc/87/35/03/952873503.db2.gz	IZVPNTFFKHJQHQ-UHFFFAOYSA-N	-1	0	311.349	0.841	20	30		DCEDRM
C[C@@H]1C[C@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC001412749081	953052531	/nfs/dbraw/zinc/05/25/31/953052531.db2.gz	LEAKHRBBPFIINY-MWLCHTKSSA-N	-1	0	322.390	0.611	20	30		DCEDRM
Cc1c([C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-])cnn1C	ZINC001338862236	953058171	/nfs/dbraw/zinc/05/81/71/953058171.db2.gz	SDGNRYJGCAWLSX-NSHDSACASA-N	-1	0	314.367	0.468	20	30		DCEDRM
C=C(C)c1cccc(NC(=O)C(=O)NCC(=O)[N-]OCC)c1	ZINC001339952082	953132898	/nfs/dbraw/zinc/13/28/98/953132898.db2.gz	DPZVDVFJVQDNRQ-UHFFFAOYSA-N	-1	0	305.334	0.842	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@H]2CC[C@@H](C1)O2	ZINC001340560694	953178251	/nfs/dbraw/zinc/17/82/51/953178251.db2.gz	HHHZXQGHGJMSMF-AOOOYVTPSA-N	-1	0	302.338	0.056	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](C)[C@H](OC)C1	ZINC001340562330	953178301	/nfs/dbraw/zinc/17/83/01/953178301.db2.gz	XRTMKHJMJWJJEN-CMPLNLGQSA-N	-1	0	318.381	0.549	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCn1cccn1	ZINC001342240695	953278667	/nfs/dbraw/zinc/27/86/67/953278667.db2.gz	DRLRFIKWZFMCSL-UHFFFAOYSA-N	-1	0	314.353	0.021	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(=O)n(C)c2ccccc12	ZINC001343533944	953352284	/nfs/dbraw/zinc/35/22/84/953352284.db2.gz	IEUCQXAENAVSCU-UHFFFAOYSA-N	-1	0	318.354	0.621	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc(C(N)=O)cs1	ZINC001344586272	953501605	/nfs/dbraw/zinc/50/16/05/953501605.db2.gz	IGFKQYQWMJCEMS-MRVPVSSYSA-N	-1	0	302.315	0.786	20	30		DCEDRM
C[C@@H](CC(=O)[O-])CC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC001346541881	953911955	/nfs/dbraw/zinc/91/19/55/953911955.db2.gz	XQZVOMDVHCWYEM-WMUVVQJISA-N	-1	0	309.322	0.130	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1	ZINC001347361160	954078964	/nfs/dbraw/zinc/07/89/64/954078964.db2.gz	KJQNABPZEFRSRK-UHFFFAOYSA-N	-1	0	320.374	0.823	20	30		DCEDRM
C[C@H]1[C@H](NC(=O)CSCC#N)CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001284121185	954861315	/nfs/dbraw/zinc/86/13/15/954861315.db2.gz	PMMYEJHGOLSVJL-VHSXEESVSA-N	-1	0	324.410	0.236	20	30		DCEDRM
Cn1c(-c2ccc(C#N)[nH]2)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001594513087	955405035	/nfs/dbraw/zinc/40/50/35/955405035.db2.gz	JHUBGFRUSFLKAL-VIFPVBQESA-N	-1	0	300.322	0.983	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)c1ccc(C#N)c(O)c1)C(=O)[O-]	ZINC001593847037	955429077	/nfs/dbraw/zinc/42/90/77/955429077.db2.gz	DGWMIEDVKCESCY-JTQLQIEISA-N	-1	0	306.274	0.400	20	30		DCEDRM
Cn1cc(C#N)cc1-c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C	ZINC001594525582	955498746	/nfs/dbraw/zinc/49/87/46/955498746.db2.gz	IUNPQLXODXAVPZ-NSHDSACASA-N	-1	0	314.349	0.993	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)c2occc2C(=O)[O-])C1	ZINC001352083626	955510489	/nfs/dbraw/zinc/51/04/89/955510489.db2.gz	AUUBPKBCLBXZPC-SECBINFHSA-N	-1	0	301.320	0.943	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC000387427723	972122754	/nfs/dbraw/zinc/12/27/54/972122754.db2.gz	MAQBKQFBXOMZCX-LLVKDONJSA-N	-1	0	323.271	0.337	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1	ZINC001352774781	955760033	/nfs/dbraw/zinc/76/00/33/955760033.db2.gz	HKMNFUMJFZSFGI-NSHDSACASA-N	-1	0	312.347	0.745	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNC(=O)C#CC(C)(C)C)c1[O-]	ZINC001285523446	955762647	/nfs/dbraw/zinc/76/26/47/955762647.db2.gz	JJXBYTNBAHVIEJ-WAYWQWQTSA-N	-1	0	318.377	0.875	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC001594565006	955835139	/nfs/dbraw/zinc/83/51/39/955835139.db2.gz	PARDTQPWPPSZRY-GFCCVEGCSA-N	-1	0	310.313	0.887	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)[C@H](C#N)C(=O)N(C)Cc1ccccc1	ZINC001593901056	955869183	/nfs/dbraw/zinc/86/91/83/955869183.db2.gz	QNLHZZZSTMVJID-WCQYABFASA-N	-1	0	304.302	0.453	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1	ZINC001593904917	955901684	/nfs/dbraw/zinc/90/16/84/955901684.db2.gz	LGIDACNLIKLNQB-KBPBESRZSA-N	-1	0	317.345	0.695	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1	ZINC001593906076	955915828	/nfs/dbraw/zinc/91/58/28/955915828.db2.gz	OKXNOCLFRBRMFP-STQMWFEESA-N	-1	0	304.302	0.558	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001285757683	955959680	/nfs/dbraw/zinc/95/96/80/955959680.db2.gz	LGJPHXHUUNLXHN-RTHLEPHNSA-N	-1	0	323.353	0.120	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1ccccc1-n1ncc(C#N)c1N	ZINC001593913760	956001489	/nfs/dbraw/zinc/00/14/89/956001489.db2.gz	WYXJFNXWNBCHLK-NSHDSACASA-N	-1	0	315.289	0.364	20	30		DCEDRM
CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]2)C1	ZINC001413859327	956069842	/nfs/dbraw/zinc/06/98/42/956069842.db2.gz	UXVXZKMGOSPQTL-GFCCVEGCSA-N	-1	0	312.333	0.733	20	30		DCEDRM
N#CC1(CNC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CCC1	ZINC001594604068	956159012	/nfs/dbraw/zinc/15/90/12/956159012.db2.gz	NQWHHBUNEFYTGW-NSHDSACASA-N	-1	0	322.365	0.445	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CCC1	ZINC001594604126	956160604	/nfs/dbraw/zinc/16/06/04/956160604.db2.gz	PPXSJAYEDJMLTM-UHFFFAOYSA-N	-1	0	302.290	0.528	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1	ZINC001594606256	956179816	/nfs/dbraw/zinc/17/98/16/956179816.db2.gz	QVYZHKQHFUUQLM-HNNXBMFYSA-N	-1	0	303.318	0.945	20	30		DCEDRM
N#C[C@H]1CN(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCN1C1CC1	ZINC001594606424	956182602	/nfs/dbraw/zinc/18/26/02/956182602.db2.gz	WYECFQDORUBKII-XQQFMLRXSA-N	-1	0	306.366	0.621	20	30		DCEDRM
N#Cc1c(-c2ccccc2)nnn1[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001594611864	956221966	/nfs/dbraw/zinc/22/19/66/956221966.db2.gz	JDYQODWAWKOZJZ-NSHDSACASA-N	-1	0	311.301	0.675	20	30		DCEDRM
N#Cc1ccc(N2C[C@@H](C(=O)NCC(=O)[O-])CC2=O)cc1Cl	ZINC001594621863	956288335	/nfs/dbraw/zinc/28/83/35/956288335.db2.gz	SXXNPNRVQVSLSO-VIFPVBQESA-N	-1	0	321.720	0.765	20	30		DCEDRM
N#Cc1cccc(CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])c1	ZINC001594625473	956310950	/nfs/dbraw/zinc/31/09/50/956310950.db2.gz	ILPXZSCPCGDDQU-UHFFFAOYSA-N	-1	0	324.296	0.906	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)OCc1cn(CC(=O)[O-])nn1	ZINC001594631876	956347051	/nfs/dbraw/zinc/34/70/51/956347051.db2.gz	NNJJSYNXDJIFOV-UHFFFAOYSA-N	-1	0	316.273	0.357	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)Cc2noc(C)c2C#N)C1	ZINC001593962591	956502770	/nfs/dbraw/zinc/50/27/70/956502770.db2.gz	GHISSSMOKHYDOE-CQSZACIVSA-N	-1	0	307.306	0.347	20	30		DCEDRM
CC1(C#N)CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1	ZINC001589182296	956535053	/nfs/dbraw/zinc/53/50/53/956535053.db2.gz	YTMJATJDPHZTIB-NSHDSACASA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1C(=O)[O-]	ZINC001603118788	972198503	/nfs/dbraw/zinc/19/85/03/972198503.db2.gz	KEMDAGCVCSZQQZ-JTQLQIEISA-N	-1	0	311.363	0.953	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)C[C@@H](C)C1CC1)C(=O)OC	ZINC001463597065	1013148452	/nfs/dbraw/zinc/14/84/52/1013148452.db2.gz	GDOPZILIWZEHKR-PWSUYJOCSA-N	-1	0	305.396	0.696	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)C(=O)OC	ZINC001463595969	1013148791	/nfs/dbraw/zinc/14/87/91/1013148791.db2.gz	AJSQTQYBZCQXPD-SNVBAGLBSA-N	-1	0	304.368	0.200	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1	ZINC001589265331	957076510	/nfs/dbraw/zinc/07/65/10/957076510.db2.gz	FNIFMNODQDZHAE-UTUOFQBUSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)Nc1cccc(CC#N)c1)C(=O)[O-]	ZINC001603145043	972242023	/nfs/dbraw/zinc/24/20/23/972242023.db2.gz	MDEICEZAOZEFNH-SNVBAGLBSA-N	-1	0	303.318	0.870	20	30		DCEDRM
C=C[C@H]1CCCCN1C(=O)NCCOCCOCC(=O)[O-]	ZINC001357185888	957228649	/nfs/dbraw/zinc/22/86/49/957228649.db2.gz	YRHGMKLFYRPYAQ-LBPRGKRZSA-N	-1	0	300.355	0.854	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001357415824	957278987	/nfs/dbraw/zinc/27/89/87/957278987.db2.gz	HTSNWZVARZQKRY-GXSJLCMTSA-N	-1	0	324.381	0.233	20	30		DCEDRM
CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001413879792	957500388	/nfs/dbraw/zinc/50/03/88/957500388.db2.gz	MVHOTMLMNBMISU-NXEZZACHSA-N	-1	0	319.365	0.004	20	30		DCEDRM
CCN(CCCNC(=O)c1[nH]nc(C)c1[O-])C(=O)C#CC1CC1	ZINC001294429575	957528898	/nfs/dbraw/zinc/52/88/98/957528898.db2.gz	INZSUERRZPSZGA-UHFFFAOYSA-N	-1	0	318.377	0.806	20	30		DCEDRM
CN(c1ccc(C#N)cc1)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000061979940	957597140	/nfs/dbraw/zinc/59/71/40/957597140.db2.gz	QBKJMYJSJNYMIU-UHFFFAOYSA-N	-1	0	306.303	0.805	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1	ZINC001594274114	957702928	/nfs/dbraw/zinc/70/29/28/957702928.db2.gz	RMMKQUBSSDIJLE-LLVKDONJSA-N	-1	0	316.317	0.523	20	30		DCEDRM
CC(C)[C@@H](NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001413902257	957756346	/nfs/dbraw/zinc/75/63/46/957756346.db2.gz	YTCNQOGVOIXRMH-GFCCVEGCSA-N	-1	0	319.365	0.554	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H]2CNC(=O)C#CC(C)C)c1[O-]	ZINC001296425715	957981942	/nfs/dbraw/zinc/98/19/42/957981942.db2.gz	RMGNKFVNUMSJIM-LBPRGKRZSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C#CCCCS(=O)(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588390796	958013991	/nfs/dbraw/zinc/01/39/91/958013991.db2.gz	IUIXYARDPMPZTH-MBHSVXNSSA-N	-1	0	315.391	0.732	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(C)nc1Cl	ZINC001588395534	958041019	/nfs/dbraw/zinc/04/10/19/958041019.db2.gz	NQQAHCZMOONCPF-UHFFFAOYSA-N	-1	0	309.709	0.528	20	30		DCEDRM
C#CCN(C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C	ZINC001588396146	958047545	/nfs/dbraw/zinc/04/75/45/958047545.db2.gz	QDCTXNCRBUMMGP-UHFFFAOYSA-N	-1	0	302.330	0.871	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C/c1cncc(C(=O)NC)c1	ZINC001588400184	958079023	/nfs/dbraw/zinc/07/90/23/958079023.db2.gz	SKTWBZLNPLQZJR-SNAWJCMRSA-N	-1	0	301.302	0.001	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CN1CCc2ccccc2C1=O	ZINC001588402441	958091530	/nfs/dbraw/zinc/09/15/30/958091530.db2.gz	UMIVOXDLIGILPL-UHFFFAOYSA-N	-1	0	300.314	0.231	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000091294162	958132489	/nfs/dbraw/zinc/13/24/89/958132489.db2.gz	HTRWPSTVWIPQFO-NSHDSACASA-N	-1	0	310.331	0.422	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2	ZINC001588412764	958153096	/nfs/dbraw/zinc/15/30/96/958153096.db2.gz	JUUDMGZEFBMINY-UHFFFAOYSA-N	-1	0	317.301	0.594	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(N2CCOCC2)c(F)c1	ZINC001588416735	958165724	/nfs/dbraw/zinc/16/57/24/958165724.db2.gz	SWOJWKRNTWKEOX-UHFFFAOYSA-N	-1	0	320.320	0.822	20	30		DCEDRM
Cc1nn(C)c(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)c1C#N	ZINC001361668341	958195748	/nfs/dbraw/zinc/19/57/48/958195748.db2.gz	ZMTPGCNWPOEGLC-UHFFFAOYSA-N	-1	0	316.365	0.927	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](C)O)n1Cc1cccs1	ZINC001588426851	958235250	/nfs/dbraw/zinc/23/52/50/958235250.db2.gz	DQYKIERCAVNSOX-SNVBAGLBSA-N	-1	0	320.374	0.965	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CC=NO2)n1CC(C)C	ZINC001588427249	958242496	/nfs/dbraw/zinc/24/24/96/958242496.db2.gz	RLMUVUOHLFDHDS-LLVKDONJSA-N	-1	0	305.338	0.906	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCCN2C)n1CCOC	ZINC001588427320	958245104	/nfs/dbraw/zinc/24/51/04/958245104.db2.gz	UCPBMQHONJXPRU-GFCCVEGCSA-N	-1	0	321.381	0.215	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)N2CC[C@@](COC)(C(=O)[O-])C2)C1	ZINC001588431370	958268159	/nfs/dbraw/zinc/26/81/59/958268159.db2.gz	XBEWUDRFLFMHFH-CZUORRHYSA-N	-1	0	323.393	0.217	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)N(CC#C)CC(=O)[O-]	ZINC001588433615	958298548	/nfs/dbraw/zinc/29/85/48/958298548.db2.gz	QJPZTNNCWPIGND-UHFFFAOYSA-N	-1	0	314.297	0.184	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N(CCOC)CCC(=O)[O-])cc1	ZINC001588438912	958308232	/nfs/dbraw/zinc/30/82/32/958308232.db2.gz	JJZRGYLLFQMHJQ-UHFFFAOYSA-N	-1	0	311.359	0.780	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@@](C)(OC)C(=O)[O-])c1	ZINC001588439245	958315080	/nfs/dbraw/zinc/31/50/80/958315080.db2.gz	LYDBVJTXXDFLFV-OAHLLOKOSA-N	-1	0	304.302	0.212	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588443089	958351262	/nfs/dbraw/zinc/35/12/62/958351262.db2.gz	XXEGHMBSNXMBCR-WISYIIOYSA-N	-1	0	310.350	0.063	20	30		DCEDRM
C=CC(C)(C)c1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1	ZINC001588451017	958403124	/nfs/dbraw/zinc/40/31/24/958403124.db2.gz	KNEIDKSZZRNYJD-UHFFFAOYSA-N	-1	0	306.278	0.547	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1CCOC	ZINC001588452010	958416669	/nfs/dbraw/zinc/41/66/69/958416669.db2.gz	HDZAOCXOHTYJHL-GHMZBOCLSA-N	-1	0	310.354	0.445	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588452428	958421785	/nfs/dbraw/zinc/42/17/85/958421785.db2.gz	AYYWCVPCTIMXFZ-VIFPVBQESA-N	-1	0	307.306	0.019	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001588465639	958507171	/nfs/dbraw/zinc/50/71/71/958507171.db2.gz	VSPPWQMOPARCDF-XLKFXECMSA-N	-1	0	312.322	0.431	20	30		DCEDRM
C=CCOCCn1nnnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588466389	958511663	/nfs/dbraw/zinc/51/16/63/958511663.db2.gz	NOYRJNALSHCBAG-NWDGAFQWSA-N	-1	0	307.354	0.423	20	30		DCEDRM
C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588472449	958543220	/nfs/dbraw/zinc/54/32/20/958543220.db2.gz	MTUPOUMWSACDKS-NSHDSACASA-N	-1	0	319.365	0.369	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[C@H]1CCCS1(=O)=O	ZINC001573364587	958615532	/nfs/dbraw/zinc/61/55/32/958615532.db2.gz	PLKVHFAOMTVMDU-SKDRFNHKSA-N	-1	0	302.352	0.074	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C(N)=O)c1ccccc1	ZINC001362037912	958640259	/nfs/dbraw/zinc/64/02/59/958640259.db2.gz	HCCFFQOHTQWZFS-CYBMUJFWSA-N	-1	0	310.313	0.924	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H](CNC(N)=O)C1	ZINC001362053194	958659512	/nfs/dbraw/zinc/65/95/12/958659512.db2.gz	NIBVUNMKCVQOEQ-SNVBAGLBSA-N	-1	0	317.349	0.488	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CN1CCOC[C@H]1CC(=O)[O-]	ZINC000129958447	958723893	/nfs/dbraw/zinc/72/38/93/958723893.db2.gz	WGZMHQDFIFXDCJ-SNVBAGLBSA-N	-1	0	309.347	0.734	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCOC2(CCOCC2)CC1	ZINC001588539074	958951809	/nfs/dbraw/zinc/95/18/09/958951809.db2.gz	WOFGRIRJUYRGMY-CQSZACIVSA-N	-1	0	310.350	0.789	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccnc(-n2cncn2)c1	ZINC001588541992	958967369	/nfs/dbraw/zinc/96/73/69/958967369.db2.gz	PKEMTMBHXACFPR-AWEZNQCLSA-N	-1	0	314.305	0.283	20	30		DCEDRM
C[C@H]1C[C@@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001362240407	958982973	/nfs/dbraw/zinc/98/29/73/958982973.db2.gz	BWMTZDLQSUSYJZ-QWRGUYRKSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)c1cnc(C(=O)[O-])cn1)C1CC1	ZINC001588543798	958983107	/nfs/dbraw/zinc/98/31/07/958983107.db2.gz	SJWNCLGFPZJXCP-AWEZNQCLSA-N	-1	0	318.289	0.140	20	30		DCEDRM
CSCC[C@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362316193	959129880	/nfs/dbraw/zinc/12/98/80/959129880.db2.gz	YHDHRGTZMGQDRT-VIFPVBQESA-N	-1	0	310.379	0.468	20	30		DCEDRM
Cc1ccncc1[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362352285	959193868	/nfs/dbraw/zinc/19/38/68/959193868.db2.gz	JDIIRHWLLAGQNS-SNVBAGLBSA-N	-1	0	313.317	0.401	20	30		DCEDRM
C#CCN(CC)S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-]	ZINC000161819476	959196065	/nfs/dbraw/zinc/19/60/65/959196065.db2.gz	MWHUMELFRBAYQE-UHFFFAOYSA-N	-1	0	311.359	0.966	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCC2(C1)OCCO2	ZINC001362376945	959240416	/nfs/dbraw/zinc/24/04/16/959240416.db2.gz	RHWRGLGHTAIBFY-LLVKDONJSA-N	-1	0	303.318	0.993	20	30		DCEDRM
Cc1nc(C)c(C#N)c(SCCS(=O)(=O)CC(=O)[O-])n1	ZINC001594449411	959348029	/nfs/dbraw/zinc/34/80/29/959348029.db2.gz	RLNKQOBIMZDHIL-UHFFFAOYSA-N	-1	0	315.376	0.557	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])ccc1C#N	ZINC001594456421	959419038	/nfs/dbraw/zinc/41/90/38/959419038.db2.gz	CQLPDLUAJLSSOZ-SNVBAGLBSA-N	-1	0	302.290	0.276	20	30		DCEDRM
Cc1cc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)ncc1C#N	ZINC001362520767	959513922	/nfs/dbraw/zinc/51/39/22/959513922.db2.gz	QLPSAJUBXXDXCE-NSHDSACASA-N	-1	0	315.362	0.705	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001594253335	959632810	/nfs/dbraw/zinc/63/28/10/959632810.db2.gz	YKHBAJFMPYULBX-LBPRGKRZSA-N	-1	0	302.286	0.709	20	30		DCEDRM
Cc1scc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1C	ZINC001362685337	959824941	/nfs/dbraw/zinc/82/49/41/959824941.db2.gz	BCFIUBKRHCOEOB-UHFFFAOYSA-N	-1	0	318.358	0.929	20	30		DCEDRM
Cc1cccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1F	ZINC001362686164	959830138	/nfs/dbraw/zinc/83/01/38/959830138.db2.gz	DZSXMETVACAWPM-UHFFFAOYSA-N	-1	0	316.292	0.698	20	30		DCEDRM
CC(C)(C)C(F)(F)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362698724	959849898	/nfs/dbraw/zinc/84/98/98/959849898.db2.gz	GIFQZHRPAFXFCO-UHFFFAOYSA-N	-1	0	314.292	0.618	20	30		DCEDRM
Cc1cscc1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362805067	960013852	/nfs/dbraw/zinc/01/38/52/960013852.db2.gz	NVIIDHCQQDJZQA-UHFFFAOYSA-N	-1	0	304.331	0.507	20	30		DCEDRM
Cn1cc(C2=NO[C@@H](C(=O)[N-]Oc3cccc(C#N)c3)C2)cn1	ZINC001302374115	960021679	/nfs/dbraw/zinc/02/16/79/960021679.db2.gz	UISZPRBZTIWIFB-CQSZACIVSA-N	-1	0	311.301	0.895	20	30		DCEDRM
C[C@@]1(CC(=O)[N-]Oc2cccc(C#N)c2)CCS(=O)(=O)N1	ZINC001302373374	960022095	/nfs/dbraw/zinc/02/20/95/960022095.db2.gz	HAFWKXOJNLRMNB-ZDUSSCGKSA-N	-1	0	309.347	0.440	20	30		DCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC)oc1C	ZINC001303045632	960038092	/nfs/dbraw/zinc/03/80/92/960038092.db2.gz	DOMRKSHYDXEEMH-JTQLQIEISA-N	-1	0	316.379	0.553	20	30		DCEDRM
C=C1CCC(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001303406494	960048787	/nfs/dbraw/zinc/04/87/87/960048787.db2.gz	IECKXUJDYLGZKV-UHFFFAOYSA-N	-1	0	302.334	0.683	20	30		DCEDRM
Cc1onc(CC(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)c1C#N	ZINC001362941480	960207042	/nfs/dbraw/zinc/20/70/42/960207042.db2.gz	RWHQIPBRPGLPNG-NSHDSACASA-N	-1	0	319.321	0.977	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NCCC2CC=CC2)c(=O)[n-]c1=O	ZINC001313270722	960299148	/nfs/dbraw/zinc/29/91/48/960299148.db2.gz	DTLULMLVHSROBR-UHFFFAOYSA-N	-1	0	317.349	0.476	20	30		DCEDRM
CN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1	ZINC001604102706	972509320	/nfs/dbraw/zinc/50/93/20/972509320.db2.gz	CTDABERYLQJPKH-LLVKDONJSA-N	-1	0	301.302	0.454	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC(c3nnn[n-]3)CC2)nc1	ZINC001363197292	960582074	/nfs/dbraw/zinc/58/20/74/960582074.db2.gz	SIZYVWBASBAVIG-UHFFFAOYSA-N	-1	0	312.337	0.284	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001363307341	960854683	/nfs/dbraw/zinc/85/46/83/960854683.db2.gz	PPVCPDDZCQCXQI-UHFFFAOYSA-N	-1	0	315.333	0.888	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC2CC(CC(N)=O)C2)cc1C#N	ZINC001363315756	960874682	/nfs/dbraw/zinc/87/46/82/960874682.db2.gz	AZQMZNOKYHSZKY-UHFFFAOYSA-N	-1	0	320.374	0.765	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001571074445	960936859	/nfs/dbraw/zinc/93/68/59/960936859.db2.gz	KWSFSFLUOXFCMC-WYFGTUCQSA-N	-1	0	301.368	0.166	20	30		DCEDRM
CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001447062103	1013230946	/nfs/dbraw/zinc/23/09/46/1013230946.db2.gz	JTUJPSCSWQJIKD-GFCCVEGCSA-N	-1	0	311.363	0.776	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)c2cccnc2C(=O)[O-])C1	ZINC001332124215	961465250	/nfs/dbraw/zinc/46/52/50/961465250.db2.gz	DXBQFRMNBLNEMX-SNVBAGLBSA-N	-1	0	312.347	0.745	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2CCCOC2)CC1	ZINC001571131821	961566601	/nfs/dbraw/zinc/56/66/01/961566601.db2.gz	UXAVMUXKWPRVIS-LLVKDONJSA-N	-1	0	316.379	0.433	20	30		DCEDRM
CC(C)[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)[O-]	ZINC001588823442	961648521	/nfs/dbraw/zinc/64/85/21/961648521.db2.gz	WWKLFGZWADMVEE-STQMWFEESA-N	-1	0	308.382	0.725	20	30		DCEDRM
C[C@H](C[C@H](O)c1ccco1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363723951	961764345	/nfs/dbraw/zinc/76/43/45/961764345.db2.gz	ATXLCLFUCOBIIO-SCZZXKLOSA-N	-1	0	304.306	0.462	20	30		DCEDRM
COC(=O)c1ccccc1OCCn1c(=O)[n-]cc(C#N)c1=O	ZINC001363756814	961817855	/nfs/dbraw/zinc/81/78/55/961817855.db2.gz	DJGIJIHQCWCSBK-UHFFFAOYSA-N	-1	0	315.285	0.274	20	30		DCEDRM
C[C@@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)c1nn(C)cc1[O-]	ZINC001363832888	961980489	/nfs/dbraw/zinc/98/04/89/961980489.db2.gz	POQLENDMYRNSDF-OTYXRUKQSA-N	-1	0	300.318	0.908	20	30		DCEDRM
C[C@@H]1CC[C@H](O)CN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001571165340	961991782	/nfs/dbraw/zinc/99/17/82/961991782.db2.gz	LYWYPMLCXAFFLR-KOLCDFICSA-N	-1	0	324.358	0.790	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Cc2cccc(F)c2)c(=O)[n-]c1=O	ZINC001364109559	962490225	/nfs/dbraw/zinc/49/02/25/962490225.db2.gz	RPXNSVOAWMJLQP-UHFFFAOYSA-N	-1	0	316.292	0.319	20	30		DCEDRM
Cc1nc(C)c(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)s1	ZINC001364180836	962623341	/nfs/dbraw/zinc/62/33/41/962623341.db2.gz	XRGWCGWDPQRCEK-UHFFFAOYSA-N	-1	0	305.363	0.673	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573303828	962681598	/nfs/dbraw/zinc/68/15/98/962681598.db2.gz	TWWKDCDNDPMKSL-CYDGBPFRSA-N	-1	0	306.362	0.522	20	30		DCEDRM
C=C(Br)CN(C)[C@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573314191	962742812	/nfs/dbraw/zinc/74/28/12/962742812.db2.gz	ZOFSDINRKQSZOG-MRVPVSSYSA-N	-1	0	308.176	0.599	20	30		DCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001573319722	962747571	/nfs/dbraw/zinc/74/75/71/962747571.db2.gz	AFNAGJQVPXFZLB-MRVPVSSYSA-N	-1	0	303.340	0.022	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2)C(=O)[O-]	ZINC000275079049	962823718	/nfs/dbraw/zinc/82/37/18/962823718.db2.gz	YFEHPEIGRAOKMV-JOYOIKCWSA-N	-1	0	309.343	0.765	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(F)c(OC)c1)C(=O)[O-]	ZINC000276282977	962843796	/nfs/dbraw/zinc/84/37/96/962843796.db2.gz	UOBSQJPTTICFGU-JTQLQIEISA-N	-1	0	301.295	0.589	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@H](NC(=O)CNC(=O)[O-])C1CC1	ZINC001573346439	962939473	/nfs/dbraw/zinc/93/94/73/962939473.db2.gz	ACQWIEDVAIJDDX-XHDPSFHLSA-N	-1	0	311.382	0.867	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N1CCC2(CN(C(=O)CNC(=O)[O-])C2)C1	ZINC001573346585	962941066	/nfs/dbraw/zinc/94/10/66/962941066.db2.gz	DBSHOIGWVGWMKS-OAHLLOKOSA-N	-1	0	323.393	0.917	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCCN(CC)c1ncc(C(=O)[O-])cn1	ZINC001573348650	962960686	/nfs/dbraw/zinc/96/06/86/962960686.db2.gz	YXGHMAIMOANQSG-HNNXBMFYSA-N	-1	0	322.365	0.444	20	30		DCEDRM
C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)[O-]	ZINC001573356937	963010087	/nfs/dbraw/zinc/01/00/87/963010087.db2.gz	GYIMRNYSVNUKHP-TXEJJXNPSA-N	-1	0	309.366	0.812	20	30		DCEDRM
C#CCCCCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC000300461785	963011388	/nfs/dbraw/zinc/01/13/88/963011388.db2.gz	IBIKIQBCTUVYAF-NSHDSACASA-N	-1	0	301.364	0.280	20	30		DCEDRM
C=CCCC1(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CC1	ZINC001573357440	963017481	/nfs/dbraw/zinc/01/74/81/963017481.db2.gz	NZSLYDHLTJSCNW-RYUDHWBXSA-N	-1	0	306.362	0.781	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)C(=O)OCC	ZINC001573357608	963018003	/nfs/dbraw/zinc/01/80/03/963018003.db2.gz	PDVQSCOSOYNNBR-JTQLQIEISA-N	-1	0	319.379	0.669	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001573360281	963035015	/nfs/dbraw/zinc/03/50/15/963035015.db2.gz	LISHGENWJMDKJY-GHMZBOCLSA-N	-1	0	301.339	0.690	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CCC[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573369399	963097665	/nfs/dbraw/zinc/09/76/65/963097665.db2.gz	SGKODNAIYPPBSB-WDEREUQCSA-N	-1	0	313.354	0.000	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@@H](CNc2ccnc(C(=O)[O-])n2)C1	ZINC001588435600	964024922	/nfs/dbraw/zinc/02/49/22/964024922.db2.gz	VNOFOXFXTBMANX-LBPRGKRZSA-N	-1	0	316.361	0.661	20	30		DCEDRM
C#CCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001588447185	964084045	/nfs/dbraw/zinc/08/40/45/964084045.db2.gz	RSDZBDJHMREVMV-UHFFFAOYSA-N	-1	0	312.303	0.985	20	30		DCEDRM
C#CCCN(CC(F)(F)F)S(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC001588447606	964088635	/nfs/dbraw/zinc/08/86/35/964088635.db2.gz	MIAKFKHJEDZGMV-QMMMGPOBSA-N	-1	0	301.286	0.925	20	30		DCEDRM
C#CCCCn1nnnc1N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC001588448127	964094009	/nfs/dbraw/zinc/09/40/09/964094009.db2.gz	XBQGILGCLURMPA-NSHDSACASA-N	-1	0	317.271	0.930	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H](N(C)C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001373231189	968830615	/nfs/dbraw/zinc/83/06/15/968830615.db2.gz	TZEIYYWICYXXKN-KOLCDFICSA-N	-1	0	319.365	0.646	20	30		DCEDRM
N#Cc1cn(CCNC(=O)OC2CCCCC2)c(=O)[n-]c1=O	ZINC001475510294	1017116557	/nfs/dbraw/zinc/11/65/57/1017116557.db2.gz	OSZQZCZAJPJYOJ-UHFFFAOYSA-N	-1	0	306.322	0.879	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ncc(OCC)o2)n1C	ZINC001588426568	969882095	/nfs/dbraw/zinc/88/20/95/969882095.db2.gz	PEOAYFBFXCQETI-UHFFFAOYSA-N	-1	0	305.294	0.393	20	30		DCEDRM
C#CCN(C)c1cnc(-c2noc(CSCC(=O)[O-])n2)cn1	ZINC001609623853	970423502	/nfs/dbraw/zinc/42/35/02/970423502.db2.gz	JWXIRUKZSUJHCT-UHFFFAOYSA-N	-1	0	319.346	0.914	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC(=O)[O-])cc1	ZINC001609696327	970457224	/nfs/dbraw/zinc/45/72/24/970457224.db2.gz	NEXQVZHCQAKTAD-MRVPVSSYSA-N	-1	0	311.319	0.578	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC001609698334	970464159	/nfs/dbraw/zinc/46/41/59/970464159.db2.gz	XCKCMQCMMAVRIZ-VHSXEESVSA-N	-1	0	303.322	0.106	20	30		DCEDRM
Cc1c(C(=O)Nc2cnn(CC(=O)[O-])c2)cnn1CCC#N	ZINC001605076776	972706477	/nfs/dbraw/zinc/70/64/77/972706477.db2.gz	MQNWOCRMPKDZNU-UHFFFAOYSA-N	-1	0	302.294	0.639	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(C(=O)C(C)(C)C#N)C[C@@H]2C(=O)[O-]	ZINC001604280068	972854178	/nfs/dbraw/zinc/85/41/78/972854178.db2.gz	JVUJZCPOKSSQPA-KGXJWFGYSA-N	-1	0	308.334	0.649	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC001604419690	973174124	/nfs/dbraw/zinc/17/41/24/973174124.db2.gz	BBAOKWJNTNYQPP-ZDUSSCGKSA-N	-1	0	306.318	0.633	20	30		DCEDRM
C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCOCC2)C[C@@H](C)N1CC#N	ZINC001603438698	973208290	/nfs/dbraw/zinc/20/82/90/973208290.db2.gz	DQZWXAVFDOEZSN-VXGBXAGGSA-N	-1	0	309.366	0.313	20	30		DCEDRM
Cc1nnc(S[C@@H]2CCN(CC(=O)[O-])C2=O)c(C#N)c1C	ZINC001605444791	973511561	/nfs/dbraw/zinc/51/15/61/973511561.db2.gz	VONRGYVIRYGCJW-SNVBAGLBSA-N	-1	0	306.347	0.743	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N([C@@H](C)C(=O)[O-])C1CC1	ZINC001604597239	973690886	/nfs/dbraw/zinc/69/08/86/973690886.db2.gz	AGCYHBYYCXNBFN-JTQLQIEISA-N	-1	0	319.383	0.031	20	30		DCEDRM
N#CCCCCNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001605582051	973864463	/nfs/dbraw/zinc/86/44/63/973864463.db2.gz	SIWWEOXQSRTGTO-UHFFFAOYSA-N	-1	0	303.318	0.811	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CC1	ZINC001605585455	973875753	/nfs/dbraw/zinc/87/57/53/973875753.db2.gz	BQQGYEFPUMRABK-ZIAGYGMSSA-N	-1	0	323.393	0.608	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CC1	ZINC001605585452	973876337	/nfs/dbraw/zinc/87/63/37/973876337.db2.gz	BQQGYEFPUMRABK-KGLIPLIRSA-N	-1	0	323.393	0.608	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001604684917	973877884	/nfs/dbraw/zinc/87/78/84/973877884.db2.gz	JAAHELQMODNXEV-ZBEGNZNMSA-N	-1	0	316.313	0.740	20	30		DCEDRM
N#Cc1c(F)cc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1F	ZINC001605590613	973884592	/nfs/dbraw/zinc/88/45/92/973884592.db2.gz	IVMUBSAIACEVKT-NSHDSACASA-N	-1	0	309.228	0.682	20	30		DCEDRM
C[C@H](/C=C/C(=O)[O-])NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC001592200337	977194932	/nfs/dbraw/zinc/19/49/32/977194932.db2.gz	GTHUTMFPVXDBDR-CYZOPGGISA-N	-1	0	301.302	0.434	20	30		DCEDRM
C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC001592221498	977399353	/nfs/dbraw/zinc/39/93/53/977399353.db2.gz	IQZXMHFIQIXQNK-SNVBAGLBSA-N	-1	0	319.317	0.897	20	30		DCEDRM
C[C@H](CC#N)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001592226442	977419767	/nfs/dbraw/zinc/41/97/67/977419767.db2.gz	XRDKQWVTFBICPQ-SSDOTTSWSA-N	-1	0	313.291	0.873	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001523014443	1014518585	/nfs/dbraw/zinc/51/85/85/1014518585.db2.gz	OQVNPKQPDUWXQW-LLVKDONJSA-N	-1	0	302.334	0.168	20	30		DCEDRM
C[C@H](COC1CCCC1)CS(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001592771843	979389232	/nfs/dbraw/zinc/38/92/32/979389232.db2.gz	JIIBHVGLEQAFTQ-LLVKDONJSA-N	-1	0	318.395	0.822	20	30		DCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC001592834231	979574522	/nfs/dbraw/zinc/57/45/22/979574522.db2.gz	NMGRFEUISLQERG-ZBEGNZNMSA-N	-1	0	302.330	0.785	20	30		DCEDRM
C[C@H](NC(=O)C#CC1CC1)[C@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001592967606	980093035	/nfs/dbraw/zinc/09/30/35/980093035.db2.gz	DQNOWOXHRWPBRS-UWVGGRQHSA-N	-1	0	302.334	0.893	20	30		DCEDRM
C[C@@](NC(=O)Cn1cnc(C#N)n1)(C(=O)[O-])c1ccc(F)cc1	ZINC001593052107	980352122	/nfs/dbraw/zinc/35/21/22/980352122.db2.gz	WMOMXNUQXHPQEM-AWEZNQCLSA-N	-1	0	317.280	0.405	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCc2ccc(=O)[nH]n2)cc1C#N	ZINC001450040766	1014860962	/nfs/dbraw/zinc/86/09/62/1014860962.db2.gz	LFTTWLKERUBLFW-UHFFFAOYSA-N	-1	0	317.330	0.806	20	30		DCEDRM
CCCCn1cc(S(=O)(=O)N(CC#N)CC(=O)[O-])c(C)n1	ZINC001595805419	982631326	/nfs/dbraw/zinc/63/13/26/982631326.db2.gz	UXIDCNXWAZJHJN-UHFFFAOYSA-N	-1	0	314.367	0.591	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)[C@H]1CCCO1	ZINC001588370449	983319207	/nfs/dbraw/zinc/31/92/07/983319207.db2.gz	DDWQIWLKWBFRPN-YVECIDJPSA-N	-1	0	322.361	0.043	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)C(C)C	ZINC001588372073	983328139	/nfs/dbraw/zinc/32/81/39/983328139.db2.gz	CKGPJNBSOHZQKQ-GHMZBOCLSA-N	-1	0	305.338	0.591	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1)[C@@H]1CCCO1	ZINC001588372877	983334783	/nfs/dbraw/zinc/33/47/83/983334783.db2.gz	VEBZENWGKDFPJW-MFKMUULPSA-N	-1	0	318.333	0.398	20	30		DCEDRM
C#CC1(O)CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)CC1	ZINC001588380054	983366924	/nfs/dbraw/zinc/36/69/24/983366924.db2.gz	ZTWNASHQBYURLV-UHFFFAOYSA-N	-1	0	323.370	0.842	20	30		DCEDRM
C#CC1CCN(Cn2nc(C(=O)[O-])c3c(C)onc3c2=O)CC1	ZINC001588383322	983379636	/nfs/dbraw/zinc/37/96/36/983379636.db2.gz	VMNYAAHQNLBVFT-UHFFFAOYSA-N	-1	0	316.317	0.694	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588383528	983382220	/nfs/dbraw/zinc/38/22/20/983382220.db2.gz	CLQOJUPNRFNXIR-LLVKDONJSA-N	-1	0	320.326	0.279	20	30		DCEDRM
C#CCC(CC#C)C(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001588389777	983388021	/nfs/dbraw/zinc/38/80/21/983388021.db2.gz	ASOKHACEAYJZJO-CHWSQXEVSA-N	-1	0	305.330	0.514	20	30		DCEDRM
C#CCC(CC#C)C(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001588389778	983388129	/nfs/dbraw/zinc/38/81/29/983388129.db2.gz	ASOKHACEAYJZJO-OLZOCXBDSA-N	-1	0	305.330	0.514	20	30		DCEDRM
C#CC[C@@H](CCOC)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001588393313	983397691	/nfs/dbraw/zinc/39/76/91/983397691.db2.gz	FQKKPOZLXGDSHL-VIFPVBQESA-N	-1	0	315.351	0.123	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588393445	983398386	/nfs/dbraw/zinc/39/83/86/983398386.db2.gz	FWRBYOQIWZZCIY-LLVKDONJSA-N	-1	0	306.318	0.091	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O)C(=O)[O-]	ZINC001588406172	983424802	/nfs/dbraw/zinc/42/48/02/983424802.db2.gz	NCJULEIXAGYTNT-DTWKUNHWSA-N	-1	0	320.267	0.380	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)N1CC[C@H]2CCCC[C@H]2C1)C(=O)[O-]	ZINC001588423352	983452113	/nfs/dbraw/zinc/45/21/13/983452113.db2.gz	DDRJDBASNYOZIR-AGIUHOORSA-N	-1	0	314.407	0.809	20	30		DCEDRM
C#CCC1(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCOCC1	ZINC001588427572	983456733	/nfs/dbraw/zinc/45/67/33/983456733.db2.gz	CYMXADPTHXTUMP-UHFFFAOYSA-N	-1	0	312.347	0.564	20	30		DCEDRM
C#CCC1(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001588428673	983463057	/nfs/dbraw/zinc/46/30/57/983463057.db2.gz	XIONCXIHSPGAGY-FGTRRKKMSA-N	-1	0	318.373	0.689	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)NCc1ccc(C(=O)[O-])c(OC)c1	ZINC001588435202	983475184	/nfs/dbraw/zinc/47/51/84/983475184.db2.gz	GXJYFQFQEFFRAX-GFCCVEGCSA-N	-1	0	320.345	0.967	20	30		DCEDRM
C#CCCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)cc1	ZINC001588455911	983481007	/nfs/dbraw/zinc/48/10/07/983481007.db2.gz	WPIXSLKVDLXDPO-ZDUSSCGKSA-N	-1	0	319.313	0.835	20	30		DCEDRM
C#CCNC(=O)CN1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1	ZINC001588484114	983522816	/nfs/dbraw/zinc/52/28/16/983522816.db2.gz	QPLIIZRAHQCDBA-SNVBAGLBSA-N	-1	0	307.375	0.770	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)OCC(=O)N(C)c1ccccc1C(=O)[O-]	ZINC001588489903	983529646	/nfs/dbraw/zinc/52/96/46/983529646.db2.gz	DJJMEGRDTSUDPN-NSHDSACASA-N	-1	0	319.313	0.929	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)c1ccnc(C(=O)[O-])n1	ZINC001588490760	983534235	/nfs/dbraw/zinc/53/42/35/983534235.db2.gz	XYOSKCYTMNYDJU-GHMZBOCLSA-N	-1	0	320.349	0.154	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC001588491330	983536013	/nfs/dbraw/zinc/53/60/13/983536013.db2.gz	JWXJVNNCXKOHEO-UHFFFAOYSA-N	-1	0	320.301	0.098	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001588491686	983536937	/nfs/dbraw/zinc/53/69/37/983536937.db2.gz	SNLVVLYVYAUHMI-UHFFFAOYSA-N	-1	0	311.359	0.584	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1	ZINC001588491916	983538172	/nfs/dbraw/zinc/53/81/72/983538172.db2.gz	ZOBNJFYPCUGINV-UHFFFAOYSA-N	-1	0	313.331	0.322	20	30		DCEDRM
C#CCOc1ccc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])cc1	ZINC001588497619	983540152	/nfs/dbraw/zinc/54/01/52/983540152.db2.gz	RADRUHIKJXZIFB-NSHDSACASA-N	-1	0	311.359	0.839	20	30		DCEDRM
C#CCn1cc(CNS(=O)(=O)c2cc(C(=O)[O-])ccn2)cn1	ZINC001588509737	983553736	/nfs/dbraw/zinc/55/37/36/983553736.db2.gz	LXTPUDPETBENPN-UHFFFAOYSA-N	-1	0	320.330	0.088	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](C(=O)OC)CC[C@H]2C(=O)[O-])cn1	ZINC001588510319	983555162	/nfs/dbraw/zinc/55/51/62/983555162.db2.gz	AGAGILVCRZEYSG-AAEUAGOBSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588524889	983576738	/nfs/dbraw/zinc/57/67/38/983576738.db2.gz	XGDWNCBQVUWNAQ-MRXNPFEDSA-N	-1	0	301.342	0.895	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588535433	983588963	/nfs/dbraw/zinc/58/89/63/983588963.db2.gz	HMZSMDDMVQOWAU-YFKTTZPYSA-N	-1	0	303.380	0.750	20	30		DCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC001588537558	983600633	/nfs/dbraw/zinc/60/06/33/983600633.db2.gz	RYUSHFYJHIAHBR-CXQJBGSLSA-N	-1	0	305.396	0.876	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1cncc(-n2ccnn2)c1)C(=O)[O-]	ZINC001588548214	983623477	/nfs/dbraw/zinc/62/34/77/983623477.db2.gz	NYFVHLZKCWIVGY-GFCCVEGCSA-N	-1	0	301.306	0.812	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OC	ZINC001588555764	983636991	/nfs/dbraw/zinc/63/69/91/983636991.db2.gz	RPIPQBDXSNKTBZ-AEJSXWLSSA-N	-1	0	305.352	0.277	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588599202	983688531	/nfs/dbraw/zinc/68/85/31/983688531.db2.gz	IJXVIRSKRFSKOW-YFKTTZPYSA-N	-1	0	311.334	0.300	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1	ZINC001588612600	983703332	/nfs/dbraw/zinc/70/33/32/983703332.db2.gz	SYXIPEXQQUKHTL-LLVKDONJSA-N	-1	0	319.379	0.070	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](c1cnn(C)c1)c1noc(C)n1	ZINC001588622301	983722928	/nfs/dbraw/zinc/72/29/28/983722928.db2.gz	ULYUXEDFMFEJRE-GFCCVEGCSA-N	-1	0	319.321	0.738	20	30		DCEDRM
C=C1CC(C)(C(=O)N2CC[C@H](Nc3ccnc(C(=O)[O-])n3)C2)C1	ZINC001588643783	983767281	/nfs/dbraw/zinc/76/72/81/983767281.db2.gz	SYWKGJGMBBXEBI-NSHDSACASA-N	-1	0	316.361	0.966	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1	ZINC001588681561	983840639	/nfs/dbraw/zinc/84/06/39/983840639.db2.gz	YYXDIQKVKPXJIK-NHYWBVRUSA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)C[C@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588683799	983851259	/nfs/dbraw/zinc/85/12/59/983851259.db2.gz	DZDHOLACXKQVHN-ZUZCIYMTSA-N	-1	0	322.365	0.183	20	30		DCEDRM
C=C[C@H](OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)[O-]	ZINC001588711748	983939381	/nfs/dbraw/zinc/93/93/81/983939381.db2.gz	QXWLEMSQTCQDMH-VHSXEESVSA-N	-1	0	315.322	0.805	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC001588736991	984028117	/nfs/dbraw/zinc/02/81/17/984028117.db2.gz	ACQVTJFYBPFYNU-SECBINFHSA-N	-1	0	317.338	0.987	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(=O)[O-]	ZINC001588757336	984102500	/nfs/dbraw/zinc/10/25/00/984102500.db2.gz	YNANEDRFMLRWRR-AGIUHOORSA-N	-1	0	313.350	0.439	20	30		DCEDRM
C=CCCC[C@H](NC(=O)CN1CCCCC(=O)C1=O)C(=O)[O-]	ZINC001588788950	984195378	/nfs/dbraw/zinc/19/53/78/984195378.db2.gz	SNOCVXCGKJNISS-NSHDSACASA-N	-1	0	310.350	0.494	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C(=O)OC	ZINC001588797986	984232975	/nfs/dbraw/zinc/23/29/75/984232975.db2.gz	QHRRSOVGHLDCKR-VHSXEESVSA-N	-1	0	307.368	0.524	20	30		DCEDRM
C=CCCCN(CC)C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588801752	984247391	/nfs/dbraw/zinc/24/73/91/984247391.db2.gz	YXQFARLETAYUQK-LBPRGKRZSA-N	-1	0	312.366	0.503	20	30		DCEDRM
C=CCCOCCn1nnnc1N1CCC[C@](C)(C(=O)[O-])C1	ZINC001588813049	984269086	/nfs/dbraw/zinc/26/90/86/984269086.db2.gz	HIAZZOIGBUUDSC-AWEZNQCLSA-N	-1	0	309.370	0.957	20	30		DCEDRM
C=CCCn1cc(CN2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)nn1	ZINC001588820079	984281328	/nfs/dbraw/zinc/28/13/28/984281328.db2.gz	PLKFLINTASALEL-VXGBXAGGSA-N	-1	0	308.338	0.160	20	30		DCEDRM
C=CCN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[C@H](C)COC	ZINC001588820756	984286084	/nfs/dbraw/zinc/28/60/84/984286084.db2.gz	QRLCUDFFZRCGDQ-NEPJUHHUSA-N	-1	0	312.366	0.359	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1	ZINC001588822341	984289367	/nfs/dbraw/zinc/28/93/67/984289367.db2.gz	HZQKIUYVZHBUBR-UONOGXRCSA-N	-1	0	316.357	0.958	20	30		DCEDRM
C=CCN(CCC#N)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC001588826399	984302827	/nfs/dbraw/zinc/30/28/27/984302827.db2.gz	BYMAJHKMNSVLSV-UHFFFAOYSA-N	-1	0	301.349	0.932	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12	ZINC001588828849	984310219	/nfs/dbraw/zinc/31/02/19/984310219.db2.gz	QUUZZWBSKBDDFR-ZDEQEGDKSA-N	-1	0	324.377	0.263	20	30		DCEDRM
C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588829213	984312502	/nfs/dbraw/zinc/31/25/02/984312502.db2.gz	JNALQCCDBQQNRX-DGCLKSJQSA-N	-1	0	320.345	0.674	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	ZINC001588849962	984376921	/nfs/dbraw/zinc/37/69/21/984376921.db2.gz	QVBSOHKXYAHAEV-JBBSTSQOSA-N	-1	0	322.361	0.159	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)C1	ZINC001588849990	984377835	/nfs/dbraw/zinc/37/78/35/984377835.db2.gz	RXKCHTGHPFLBOB-TUAOUCFPSA-N	-1	0	310.350	0.112	20	30		DCEDRM
C=CCOCC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588850107	984378638	/nfs/dbraw/zinc/37/86/38/984378638.db2.gz	XSRYQMFXLSAFGD-OLZOCXBDSA-N	-1	0	322.361	0.185	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)COc1cccc(C=O)c1)C(=O)[O-]	ZINC001588856541	984400985	/nfs/dbraw/zinc/40/09/85/984400985.db2.gz	MCICIDPKBAUYNH-CYBMUJFWSA-N	-1	0	307.302	0.650	20	30		DCEDRM
C=CCOC[C@H](NC(=O)COc1ccccc1C=O)C(=O)[O-]	ZINC001588856573	984401464	/nfs/dbraw/zinc/40/14/64/984401464.db2.gz	NCWMSWSJHNWTQL-LBPRGKRZSA-N	-1	0	307.302	0.650	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1[nH]cnc1C(F)(F)F)C(=O)[O-]	ZINC001588860378	984412652	/nfs/dbraw/zinc/41/26/52/984412652.db2.gz	SNEVKMSYPPYBQF-ZCFIWIBFSA-N	-1	0	307.228	0.814	20	30		DCEDRM
C=CCOCc1nnc(N2CCO[C@@H](CC(=O)[O-])C2)n1CC=C	ZINC001588868630	984434144	/nfs/dbraw/zinc/43/41/44/984434144.db2.gz	NJQVICTXXCQGTQ-LBPRGKRZSA-N	-1	0	322.365	0.847	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)NCc1cc(C(=O)[O-])co1	ZINC001588878841	984455472	/nfs/dbraw/zinc/45/54/72/984455472.db2.gz	LCBCGZQCVPUYQG-UHFFFAOYSA-N	-1	0	316.335	0.378	20	30		DCEDRM
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588889713	984481422	/nfs/dbraw/zinc/48/14/22/984481422.db2.gz	BELOOOWTGQWYSB-CQSZACIVSA-N	-1	0	317.353	0.561	20	30		DCEDRM
C=CCn1c(-c2cnsn2)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588889950	984482342	/nfs/dbraw/zinc/48/23/42/984482342.db2.gz	IXERATFPAOSQEM-LBPRGKRZSA-N	-1	0	324.341	0.986	20	30		DCEDRM
C=CCn1c(-c2noc(C)n2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588891306	984487692	/nfs/dbraw/zinc/48/76/92/984487692.db2.gz	ISIJUBJBPPIVDX-SECBINFHSA-N	-1	0	304.310	0.733	20	30		DCEDRM
C=CCn1c(N2CCO[C@@H](CC(=O)[O-])C2)nnc1C1(OC)CC1	ZINC001588904882	984533542	/nfs/dbraw/zinc/53/35/42/984533542.db2.gz	HFKRAWDPJHRRAG-NSHDSACASA-N	-1	0	322.365	0.780	20	30		DCEDRM
CC#CCCCC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588924849	984583689	/nfs/dbraw/zinc/58/36/89/984583689.db2.gz	GDEFRLQETYIMPY-OLZOCXBDSA-N	-1	0	306.362	0.570	20	30		DCEDRM
CC#CCCCC(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1	ZINC001588925238	984586011	/nfs/dbraw/zinc/58/60/11/984586011.db2.gz	NPEWETBXSLIFAE-LBPRGKRZSA-N	-1	0	320.349	0.257	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588925650	984588111	/nfs/dbraw/zinc/58/81/11/984588111.db2.gz	UIYXNBXOCJHZAE-WOPDTQHZSA-N	-1	0	303.380	0.324	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001588926412	984593908	/nfs/dbraw/zinc/59/39/08/984593908.db2.gz	WJEAZYFWOXIIFU-ZDUSSCGKSA-N	-1	0	318.329	0.143	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC001599896207	984756213	/nfs/dbraw/zinc/75/62/13/984756213.db2.gz	QHRKXOOGMJTZEM-QWRGUYRKSA-N	-1	0	309.366	0.945	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC001599900066	984803933	/nfs/dbraw/zinc/80/39/33/984803933.db2.gz	YCYSNDWBWBYXHL-YUMQZZPRSA-N	-1	0	307.281	0.405	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2cnccc2C#N)CCN1CCC(=O)[O-]	ZINC001594496782	985651063	/nfs/dbraw/zinc/65/10/63/985651063.db2.gz	ZLQGGCZAHGUFNS-LLVKDONJSA-N	-1	0	302.334	0.574	20	30		DCEDRM
C[C@](C#N)(NC(=O)CN1CC(F)(F)C[C@@H]1C(=O)[O-])C1CC1	ZINC001589323754	986149896	/nfs/dbraw/zinc/14/98/96/986149896.db2.gz	LPRFOZCACKGEOA-BXKDBHETSA-N	-1	0	301.293	0.589	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C(=O)[O-])n1	ZINC001589329220	986162495	/nfs/dbraw/zinc/16/24/95/986162495.db2.gz	LPWMCXPHMYHHSJ-GMTAPVOTSA-N	-1	0	317.349	0.596	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNc2ncc(C(=O)[O-])cn2)C1	ZINC001589329869	986168272	/nfs/dbraw/zinc/16/82/72/986168272.db2.gz	VCWGTMNWOUHWEJ-QXEWZRGKSA-N	-1	0	303.322	0.641	20	30		DCEDRM
C[C@H](C#N)CNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC001589330387	986172101	/nfs/dbraw/zinc/17/21/01/986172101.db2.gz	CIDIITIBWWYNES-MRVPVSSYSA-N	-1	0	306.278	0.981	20	30		DCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC001589331023	986182850	/nfs/dbraw/zinc/18/28/50/986182850.db2.gz	YOEJIQJQQPADAT-QWRGUYRKSA-N	-1	0	321.399	0.133	20	30		DCEDRM
C[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccs1)n1cnc(C#N)n1	ZINC001589378866	986450477	/nfs/dbraw/zinc/45/04/77/986450477.db2.gz	UMHBBIFPEWMFJV-XVKPBYJWSA-N	-1	0	305.319	0.714	20	30		DCEDRM
C[C@H](C(=O)Oc1ccc(CC(=O)[O-])cc1)n1cnc(C#N)n1	ZINC001589554299	987300097	/nfs/dbraw/zinc/30/00/97/987300097.db2.gz	YWUKIVLUEMRRSZ-SECBINFHSA-N	-1	0	300.274	0.943	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001589557423	987306794	/nfs/dbraw/zinc/30/67/94/987306794.db2.gz	CNZPXFRSRDHION-ZJUUUORDSA-N	-1	0	304.368	0.193	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001589559047	987312115	/nfs/dbraw/zinc/31/21/15/987312115.db2.gz	WWOQWHZYYMQXOP-LBPRGKRZSA-N	-1	0	315.351	0.171	20	30		DCEDRM
CCc1ccc(C#CC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1	ZINC001597494440	988035548	/nfs/dbraw/zinc/03/55/48/988035548.db2.gz	AYFCLVMJOURMKK-HUUCEWRRSA-N	-1	0	301.342	0.895	20	30		DCEDRM
CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1C1(C#N)CCOCC1	ZINC001597858419	989619496	/nfs/dbraw/zinc/61/94/96/989619496.db2.gz	FJXAKWGGPBOUPX-LLVKDONJSA-N	-1	0	319.365	0.781	20	30		DCEDRM
CCn1c(N2CC[C@](OC)(C(=O)[O-])C2)nnc1C(C)(C)C#N	ZINC001597859745	989630802	/nfs/dbraw/zinc/63/08/02/989630802.db2.gz	XTEYAXYVXVNQKM-CQSZACIVSA-N	-1	0	307.354	0.779	20	30		DCEDRM
CN(C(=O)Cn1cccc(C(=O)[O-])c1=O)[C@H]1CCC[C@@H]1C#N	ZINC001598041698	990276235	/nfs/dbraw/zinc/27/62/35/990276235.db2.gz	UTSCVMJIMBGTAX-PWSUYJOCSA-N	-1	0	303.318	0.697	20	30		DCEDRM
CN(C)c1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001598312490	991281724	/nfs/dbraw/zinc/28/17/24/991281724.db2.gz	BUXQTYLJYSCXPN-UHFFFAOYSA-N	-1	0	302.334	0.978	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)c1nc[n-]c(=O)c1Br	ZINC001451198507	1015639539	/nfs/dbraw/zinc/63/95/39/1015639539.db2.gz	SEYCZBHPYBFRFI-SSDOTTSWSA-N	-1	0	312.123	0.419	20	30		DCEDRM
COc1ncc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1C#N	ZINC001599733835	991744912	/nfs/dbraw/zinc/74/49/12/991744912.db2.gz	HDJNCWSFQSOJHK-MWLCHTKSSA-N	-1	0	320.305	0.261	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)COC(=O)c1c[nH]c(C#N)c1)C(=O)[O-]	ZINC001591169997	991955622	/nfs/dbraw/zinc/95/56/22/991955622.db2.gz	MNCHSIBASNUDLS-LLVKDONJSA-N	-1	0	307.306	0.659	20	30		DCEDRM
CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(C#N)nn1	ZINC001598478987	992119257	/nfs/dbraw/zinc/11/92/57/992119257.db2.gz	FXWILGZXSQFODU-MNOVXSKESA-N	-1	0	303.322	0.011	20	30		DCEDRM
CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ncc(C#N)cc1Cl	ZINC001598490234	992278275	/nfs/dbraw/zinc/27/82/75/992278275.db2.gz	GAOOOEFKVHKCEG-ZJUUUORDSA-N	-1	0	322.752	0.880	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC001598695100	995124096	/nfs/dbraw/zinc/12/40/96/995124096.db2.gz	QWZJYWXNCSZQGB-CABZTGNLSA-N	-1	0	320.301	0.458	20	30		DCEDRM
C[C@](O)(CNc1cc(C#N)c(Br)cn1)C(=O)[O-]	ZINC001593416943	995201181	/nfs/dbraw/zinc/20/11/81/995201181.db2.gz	IRUOLHPGUKXIDG-JTQLQIEISA-N	-1	0	300.112	0.963	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)NC2CC(CC(=O)[O-])C2)CC1	ZINC001598716741	995419697	/nfs/dbraw/zinc/41/96/97/995419697.db2.gz	SGZBXAFRGMAIOQ-UHFFFAOYSA-N	-1	0	323.349	0.728	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cc(C#N)c[nH]1	ZINC001598746786	995603343	/nfs/dbraw/zinc/60/33/43/995603343.db2.gz	TXNZFOIEDKPEQH-GXSJLCMTSA-N	-1	0	305.290	0.365	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(C#N)n1	ZINC001598772096	995892950	/nfs/dbraw/zinc/89/29/50/995892950.db2.gz	UEMOAWMOJLLPLP-SKDRFNHKSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)NCC2(C#N)CCCC2)C[C@H]1C(=O)[O-]	ZINC001598809530	996218564	/nfs/dbraw/zinc/21/85/64/996218564.db2.gz	QSWSWIQEAKEJKM-GHMZBOCLSA-N	-1	0	323.349	0.586	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2cccc(C#N)c2C)C[C@H]1C(=O)[O-]	ZINC001598820120	996316137	/nfs/dbraw/zinc/31/61/37/996316137.db2.gz	FRZMOYPBUZJSJU-OLZOCXBDSA-N	-1	0	316.313	0.813	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1	ZINC001593762562	996431811	/nfs/dbraw/zinc/43/18/11/996431811.db2.gz	OKFALCGSGBZEGQ-BLLLJJGKSA-N	-1	0	321.377	0.852	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1	ZINC001593775820	996473362	/nfs/dbraw/zinc/47/33/62/996473362.db2.gz	CFQJRUIOMNRAMF-OAHLLOKOSA-N	-1	0	315.333	0.993	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2oc(C)c(C)c2C#N)C1	ZINC001599077587	996911939	/nfs/dbraw/zinc/91/19/39/996911939.db2.gz	JMTJOTGKQCTJEM-HNNXBMFYSA-N	-1	0	321.333	0.882	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(CC#N)CC2)C1	ZINC001599078675	996941845	/nfs/dbraw/zinc/94/18/45/996941845.db2.gz	IQBNVNUQNYTEIR-GFCCVEGCSA-N	-1	0	302.352	0.186	20	30		DCEDRM
C[C@]1(CNS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCOC1	ZINC001594027333	997573862	/nfs/dbraw/zinc/57/38/62/997573862.db2.gz	GJZIMRWDYWEPHK-CQSZACIVSA-N	-1	0	324.358	0.961	20	30		DCEDRM
N#C[C@]1(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)CCCOC1	ZINC001467398930	1016163411	/nfs/dbraw/zinc/16/34/11/1016163411.db2.gz	NXDONLSWYRNWIZ-IINYFYTJSA-N	-1	0	306.322	0.802	20	30		DCEDRM
COc1cc(C#N)ccc1OCCN1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001599350116	998079183	/nfs/dbraw/zinc/07/91/83/998079183.db2.gz	DGZLOTPXKKIAFQ-DOMZBBRYSA-N	-1	0	320.345	0.856	20	30		DCEDRM
COc1cc(C#N)ccc1OCCCC(=O)N[C@H](CO)C(=O)[O-]	ZINC001599350478	998084658	/nfs/dbraw/zinc/08/46/58/998084658.db2.gz	UEXHOGKQHJAAOO-LLVKDONJSA-N	-1	0	322.317	0.288	20	30		DCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1cccc(O)c1	ZINC001467586118	1016185931	/nfs/dbraw/zinc/18/59/31/1016185931.db2.gz	JCOGKPVQMIVDMV-VIFPVBQESA-N	-1	0	314.301	0.404	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001511233216	1016225291	/nfs/dbraw/zinc/22/52/91/1016225291.db2.gz	BMJIPIBIWPQTTH-CMPLNLGQSA-N	-1	0	318.377	0.946	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001511233220	1016226522	/nfs/dbraw/zinc/22/65/22/1016226522.db2.gz	BMJIPIBIWPQTTH-PWSUYJOCSA-N	-1	0	318.377	0.946	20	30		DCEDRM
COC(CN(CCC(=O)[O-])C(=O)c1cc(C)c(C#N)cn1)OC	ZINC001599046009	999151056	/nfs/dbraw/zinc/15/10/56/999151056.db2.gz	ZCQBWOOWKUAYCY-UHFFFAOYSA-N	-1	0	321.333	0.798	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(OCC#N)cc2)C1	ZINC001599070758	999330697	/nfs/dbraw/zinc/33/06/97/999330697.db2.gz	PSLFUNYPKVWUGC-MRXNPFEDSA-N	-1	0	318.329	0.834	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC1CN(Cc2nc(=O)c3sccc3[n-]2)C1	ZINC001418975481	1000659741	/nfs/dbraw/zinc/65/97/41/1000659741.db2.gz	JZOBOTSPFPFYDG-QMMMGPOBSA-N	-1	0	317.374	0.857	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@@H](CC(C)C)C(N)=O	ZINC001419058562	1000729493	/nfs/dbraw/zinc/72/94/93/1000729493.db2.gz	ORWOFZKGBVHLGC-NSHDSACASA-N	-1	0	304.350	0.939	20	30		DCEDRM
CCCN(C(=O)[C@H](C)C#N)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001419223734	1000892640	/nfs/dbraw/zinc/89/26/40/1000892640.db2.gz	UAIDQGGWEXUZNG-LLVKDONJSA-N	-1	0	320.397	0.873	20	30		DCEDRM
CCC[C@H](C(=O)[O-])S(=O)(=O)NCC1(C#N)CCOCC1	ZINC001573724612	1163541194	/nfs/dbraw/zinc/54/11/94/1163541194.db2.gz	NUOAAFFAOVNGAG-SNVBAGLBSA-N	-1	0	304.368	0.479	20	30		DCEDRM
CC[C@@H](CN1CCOCC1)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001471937811	1016692383	/nfs/dbraw/zinc/69/23/83/1016692383.db2.gz	SIHHQAICDDPTEW-ZDUSSCGKSA-N	-1	0	318.377	0.808	20	30		DCEDRM
COc1ccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1OC	ZINC001421038448	1003256468	/nfs/dbraw/zinc/25/64/68/1003256468.db2.gz	JWVSNRTXTOVVHA-UHFFFAOYSA-N	-1	0	302.290	0.706	20	30		DCEDRM
C[C@@H](O)[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccc1F	ZINC001421168360	1003398934	/nfs/dbraw/zinc/39/89/34/1003398934.db2.gz	QGPIQZSDUANENO-PELKAZGASA-N	-1	0	318.308	0.618	20	30		DCEDRM
CC[S@](=O)[C@@H]1CCC[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001472715176	1016849080	/nfs/dbraw/zinc/84/90/80/1016849080.db2.gz	PJXZDWZHZKIKBZ-FQOARCPFSA-N	-1	0	324.406	0.437	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC(NC(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC001427537444	1004451726	/nfs/dbraw/zinc/45/17/26/1004451726.db2.gz	JKKLJOOTDMCDFN-QMMMGPOBSA-N	-1	0	305.338	0.304	20	30		DCEDRM
N#Cc1ccncc1N1CCN(C(=O)c2c[n-]ncc2=O)CC1	ZINC001417883150	1005914477	/nfs/dbraw/zinc/91/44/77/1005914477.db2.gz	AJPJYYKVTMTQBF-UHFFFAOYSA-N	-1	0	310.317	0.411	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c(=O)[n-]c1=O	ZINC001418005051	1005953229	/nfs/dbraw/zinc/95/32/29/1005953229.db2.gz	BSFRLNDCMWCXAS-WCQYABFASA-N	-1	0	316.361	0.763	20	30		DCEDRM
CCC(=O)N1CCCC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001418237996	1006222706	/nfs/dbraw/zinc/22/27/06/1006222706.db2.gz	OWGVURCYQBIFTG-NSHDSACASA-N	-1	0	300.322	0.883	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCc1ncn(C)n1	ZINC001452274047	1006706347	/nfs/dbraw/zinc/70/63/47/1006706347.db2.gz	XGYNUHJSDSONHE-UHFFFAOYSA-N	-1	0	300.322	0.458	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CC(c3ccccn3)=NO2)[n-]c1C#N	ZINC001452534484	1006901496	/nfs/dbraw/zinc/90/14/96/1006901496.db2.gz	QUPRFXBBDKWHOT-GFCCVEGCSA-N	-1	0	307.273	0.680	20	30		DCEDRM
CC=C(C=CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)CC	ZINC001453844065	1008754544	/nfs/dbraw/zinc/75/45/44/1008754544.db2.gz	QQJOCVPAEUNPNO-BCTKWJPASA-N	-1	0	302.334	0.849	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(CCO)C(C)(C)C1	ZINC001433921908	1009351420	/nfs/dbraw/zinc/35/14/20/1009351420.db2.gz	IJNMRQPKDZLBEB-UHFFFAOYSA-N	-1	0	318.377	0.496	20	30		DCEDRM
C[C@H]1COC(C)(C)CN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001433967192	1009410120	/nfs/dbraw/zinc/41/01/20/1009410120.db2.gz	OFQRBTJLKOGTOC-JTQLQIEISA-N	-1	0	320.349	0.237	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCC(c3nnn[n-]3)CC2)cc1	ZINC001455024046	1009450506	/nfs/dbraw/zinc/45/05/06/1009450506.db2.gz	YZEDCQPEVADTCL-ZDUSSCGKSA-N	-1	0	312.333	0.511	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC(C)(C)CN(C)C(=O)[C@H](C)C#N)c1[O-]	ZINC001442617581	1009525821	/nfs/dbraw/zinc/52/58/21/1009525821.db2.gz	ZYICUTYWVDXWJM-SECBINFHSA-N	-1	0	321.381	0.798	20	30		DCEDRM
C[C@@H]1C[C@@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H](C)O1	ZINC001434095279	1009552665	/nfs/dbraw/zinc/55/26/65/1009552665.db2.gz	HKJQURTZPHOHJA-MXWKQRLJSA-N	-1	0	320.349	0.140	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cc1	ZINC001520461277	1017278012	/nfs/dbraw/zinc/27/80/12/1017278012.db2.gz	WOQPJUINUWOHIQ-GFCCVEGCSA-N	-1	0	300.322	0.810	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@H]1CCCCNC1=O	ZINC001442758079	1009703952	/nfs/dbraw/zinc/70/39/52/1009703952.db2.gz	GALLTMBKABBZDM-NSHDSACASA-N	-1	0	302.334	0.708	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2C[C@H]2C(F)(F)F)c(=O)[n-]c1=O	ZINC001455560163	1009816443	/nfs/dbraw/zinc/81/64/43/1009816443.db2.gz	SSASEDHFOFGZHW-POYBYMJQSA-N	-1	0	316.239	0.135	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cnn(C3CCC3)c2)c(=O)[n-]c1=O	ZINC001434384454	1009875025	/nfs/dbraw/zinc/87/50/25/1009875025.db2.gz	CPOWVMULAIKMOZ-UHFFFAOYSA-N	-1	0	314.305	0.381	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCC[C@H]1C1OCCO1)cc2=O	ZINC001422331757	1009890210	/nfs/dbraw/zinc/89/02/10/1009890210.db2.gz	OXGMJCRFUXDPJR-LBPRGKRZSA-N	-1	0	315.333	0.644	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3ccc(Cl)[nH]3)C2)c(=O)[n-]c1=O	ZINC001434417629	1009928053	/nfs/dbraw/zinc/92/80/53/1009928053.db2.gz	KLQVXZCYZMEJQG-UHFFFAOYSA-N	-1	0	319.708	0.499	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@]1(C)CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001423681439	1011415128	/nfs/dbraw/zinc/41/51/28/1011415128.db2.gz	LGLLCVZQKHUYRT-HZMBPMFUSA-N	-1	0	306.370	0.388	20	30		DCEDRM
Cn1c(=O)[n-]c(Sc2nnc3n2CCCCC3)c(C#N)c1=O	ZINC001458082334	1012071233	/nfs/dbraw/zinc/07/12/33/1012071233.db2.gz	FEERKJUXTQTEEB-UHFFFAOYSA-N	-1	0	318.362	0.414	20	30		DCEDRM
CC(C)[C@]1(CO)CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001458393433	1012168570	/nfs/dbraw/zinc/16/85/70/1012168570.db2.gz	VHTWOVRXIDWJKF-OAHLLOKOSA-N	-1	0	306.366	0.180	20	30		DCEDRM
C#CC1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCCC1	ZINC001558103200	1012322173	/nfs/dbraw/zinc/32/21/73/1012322173.db2.gz	HUEMQZOZKCCWHE-UHFFFAOYSA-N	-1	0	308.359	0.715	20	30		DCEDRM
C=CCCCC(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001509050687	1017162668	/nfs/dbraw/zinc/16/26/68/1017162668.db2.gz	JZAFNUHNNHHMKI-SECBINFHSA-N	-1	0	323.353	0.216	20	30		DCEDRM
C#CC1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC2CC2)CC1	ZINC001521042026	1017326763	/nfs/dbraw/zinc/32/67/63/1017326763.db2.gz	SVKICDHIUBPHAP-UHFFFAOYSA-N	-1	0	312.377	0.762	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NCCCC2CC2)c(=O)[n-]c1=O	ZINC001478884588	1017401191	/nfs/dbraw/zinc/40/11/91/1017401191.db2.gz	DFPCMSSRQKDNNC-UHFFFAOYSA-N	-1	0	305.338	0.310	20	30		DCEDRM
C#CCCCC(=O)N(CC)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001494893496	1018136406	/nfs/dbraw/zinc/13/64/06/1018136406.db2.gz	YPVSEVRZMDOZMQ-LBPRGKRZSA-N	-1	0	305.382	0.737	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001500713804	1018603522	/nfs/dbraw/zinc/60/35/22/1018603522.db2.gz	BMTMHRROYCJQMT-XHDPSFHLSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001499027615	1019662752	/nfs/dbraw/zinc/66/27/52/1019662752.db2.gz	DANJABNPQKASRP-ABAIWWIYSA-N	-1	0	323.397	0.430	20	30		DCEDRM
CS(=O)(=O)Cc1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC001607370939	1170439886	/nfs/dbraw/zinc/43/98/86/1170439886.db2.gz	PATKYJFHSOCVKE-UHFFFAOYSA-N	-1	0	310.331	0.282	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NC2CC(CC(N)=O)C2)CC1	ZINC001608171257	1170608375	/nfs/dbraw/zinc/60/83/75/1170608375.db2.gz	IARFAPPXXALQEX-UHFFFAOYSA-N	-1	0	308.338	0.040	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC000420533523	240042181	/nfs/dbraw/zinc/04/21/81/240042181.db2.gz	RMRLGWKGPATGKU-ZWNOBZJWSA-N	-1	0	315.329	0.354	20	30		DCEDRM
CC(C)C[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000424393401	240257836	/nfs/dbraw/zinc/25/78/36/240257836.db2.gz	RNYMDFSLEVPURV-MNOVXSKESA-N	-1	0	305.400	0.802	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-]	ZINC000274984005	212058084	/nfs/dbraw/zinc/05/80/84/212058084.db2.gz	JXHIFQRVIHKCNK-CYBMUJFWSA-N	-1	0	324.358	0.790	20	30		DCEDRM
C[C@@H]([C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-])C1CC1	ZINC000572569627	291575504	/nfs/dbraw/zinc/57/55/04/291575504.db2.gz	PZCPRDRZKNPVJK-PRHODGIISA-N	-1	0	309.347	0.731	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cn1	ZINC000195442120	395827229	/nfs/dbraw/zinc/82/72/29/395827229.db2.gz	TYRUZTVPSMZCJF-UHFFFAOYSA-N	-1	0	316.342	0.782	20	30		DCEDRM
C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)n1nnnc1C(C)(C)C	ZINC000273475563	395924035	/nfs/dbraw/zinc/92/40/35/395924035.db2.gz	STZASRLRXATGPD-ZETCQYMHSA-N	-1	0	313.325	0.637	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1C#N	ZINC000261765105	396063733	/nfs/dbraw/zinc/06/37/33/396063733.db2.gz	VJBUWNZCHDZGTN-GFCCVEGCSA-N	-1	0	309.347	0.890	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000070430381	396101339	/nfs/dbraw/zinc/10/13/39/396101339.db2.gz	QQJLWTDMLCKWFF-LLVKDONJSA-N	-1	0	310.331	0.341	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ncc(C(N)=O)s2)cc1	ZINC000171151813	396108687	/nfs/dbraw/zinc/10/86/87/396108687.db2.gz	OLCWDZAHERDVRD-UHFFFAOYSA-N	-1	0	308.344	0.914	20	30		DCEDRM
Cc1nsc(N2CCN(C(=O)NCCC(=O)[O-])CC2)c1C#N	ZINC000263347693	396214845	/nfs/dbraw/zinc/21/48/45/396214845.db2.gz	HASKKDDCVFEOSZ-UHFFFAOYSA-N	-1	0	323.378	0.630	20	30		DCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000263483893	396218079	/nfs/dbraw/zinc/21/80/79/396218079.db2.gz	GXXPFIPGMCHQDO-ZJUUUORDSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000580958588	396514611	/nfs/dbraw/zinc/51/46/11/396514611.db2.gz	ZHVQVFOKJOWQDC-GMTAPVOTSA-N	-1	0	303.384	0.508	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CCCCC1	ZINC000595276916	396577416	/nfs/dbraw/zinc/57/74/16/396577416.db2.gz	XWEJIOAZSCZMGZ-LLVKDONJSA-N	-1	0	307.350	0.510	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)c1	ZINC000586660636	396662516	/nfs/dbraw/zinc/66/25/16/396662516.db2.gz	IFACLOPTZKVGLQ-UHFFFAOYSA-N	-1	0	305.319	0.375	20	30		DCEDRM
N#Cc1cncnc1N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC000595968238	396699105	/nfs/dbraw/zinc/69/91/05/396699105.db2.gz	JGXVSKFVUQDQJG-JTQLQIEISA-N	-1	0	315.333	0.250	20	30		DCEDRM
CO[C@H]1CN(S(=O)(=O)c2ccccc2C#N)[C@@](C)(C(=O)[O-])C1	ZINC000600661757	396908786	/nfs/dbraw/zinc/90/87/86/396908786.db2.gz	ZYVNSCHWXLVLAI-BXUZGUMPSA-N	-1	0	324.358	0.811	20	30		DCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597351239	396948408	/nfs/dbraw/zinc/94/84/08/396948408.db2.gz	PJHMDRSSXQGKRL-LLVKDONJSA-N	-1	0	311.363	0.708	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCc2cnc(C)n2C1)C(=O)[O-]	ZINC000630188485	396957126	/nfs/dbraw/zinc/95/71/26/396957126.db2.gz	XGVDBYYMADZPMY-DGCLKSJQSA-N	-1	0	307.350	0.526	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC000630254299	396972171	/nfs/dbraw/zinc/97/21/71/396972171.db2.gz	PZEWFYNDKXMSMO-OAHLLOKOSA-N	-1	0	306.318	0.962	20	30		DCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCc2ccccc21	ZINC000602056197	397291745	/nfs/dbraw/zinc/29/17/45/397291745.db2.gz	ZGMATYDHDWECGI-CQSZACIVSA-N	-1	0	324.340	0.966	20	30		DCEDRM
CCCN(CC(F)F)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602086218	397297064	/nfs/dbraw/zinc/29/70/64/397297064.db2.gz	MYGWFEVMVNHGJJ-UHFFFAOYSA-N	-1	0	300.265	0.324	20	30		DCEDRM
CCN(CC(F)(F)F)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602085593	397297081	/nfs/dbraw/zinc/29/70/81/397297081.db2.gz	IYKQRHBCRXQEFJ-UHFFFAOYSA-N	-1	0	304.228	0.231	20	30		DCEDRM
CC(C)[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602102186	397300967	/nfs/dbraw/zinc/30/09/67/397300967.db2.gz	LPRXYVRXRXSVEB-GFCCVEGCSA-N	-1	0	304.350	0.858	20	30		DCEDRM
C[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H](C)S1	ZINC000602107442	397303732	/nfs/dbraw/zinc/30/37/32/397303732.db2.gz	QXLXVFPTVQEDDF-UWVGGRQHSA-N	-1	0	322.390	0.563	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)N1Cc2cccc(C#N)c2C1)C(=O)[O-]	ZINC000593768828	397439721	/nfs/dbraw/zinc/43/97/21/397439721.db2.gz	GSODYIGSFXQPBO-SNVBAGLBSA-N	-1	0	315.329	0.580	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2ncccc2C#N)c1	ZINC000578110160	397391801	/nfs/dbraw/zinc/39/18/01/397391801.db2.gz	DKOMTQWPDNLWOY-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnn2c1C[C@H](C)CC2)C(=O)[O-]	ZINC000578896233	397500876	/nfs/dbraw/zinc/50/08/76/397500876.db2.gz	WVBPOOQWZYWPTG-PWSUYJOCSA-N	-1	0	307.350	0.851	20	30		DCEDRM
CCC(=O)N1CCC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000063092675	158031442	/nfs/dbraw/zinc/03/14/42/158031442.db2.gz	FXOUDWDUBRCXGV-SECBINFHSA-N	-1	0	300.322	0.740	20	30		DCEDRM
COCn1nc(C)c(S(=O)(=O)[N-]c2nn(C)cc2C#N)c1C	ZINC000330498791	159181253	/nfs/dbraw/zinc/18/12/53/159181253.db2.gz	DEOSXMQTUZYZKV-UHFFFAOYSA-N	-1	0	324.366	0.510	20	30		DCEDRM
N#Cc1cc(NCCCc2n[nH]c(=O)[n-]2)cc(N)c1[N+](=O)[O-]	ZINC000342821737	415307262	/nfs/dbraw/zinc/30/72/62/415307262.db2.gz	ASAYFFJXSGKNJA-UHFFFAOYSA-N	-1	0	303.282	0.917	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC000343551942	415634877	/nfs/dbraw/zinc/63/48/77/415634877.db2.gz	IBLIUAMHQGATKO-JTQLQIEISA-N	-1	0	315.333	0.898	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O	ZINC000291041329	415830564	/nfs/dbraw/zinc/83/05/64/415830564.db2.gz	GNUCFVBTAOCNNE-BZNIZROVSA-N	-1	0	321.377	0.804	20	30		DCEDRM
C#CCO[N-]C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000291109998	415831044	/nfs/dbraw/zinc/83/10/44/415831044.db2.gz	SPXQRFGEVABEPG-UHFFFAOYSA-N	-1	0	322.317	0.123	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C	ZINC000291361078	415833918	/nfs/dbraw/zinc/83/39/18/415833918.db2.gz	YHCNHVVEPBZXSL-AWEZNQCLSA-N	-1	0	324.402	0.979	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)NCCSCC(=O)[O-])c1	ZINC000290455331	415807132	/nfs/dbraw/zinc/80/71/32/415807132.db2.gz	CXPHRVYZUCIVPJ-UHFFFAOYSA-N	-1	0	301.349	0.049	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O	ZINC000291041331	415829041	/nfs/dbraw/zinc/82/90/41/415829041.db2.gz	GNUCFVBTAOCNNE-MEDUHNTESA-N	-1	0	321.377	0.804	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000297026891	415946939	/nfs/dbraw/zinc/94/69/39/415946939.db2.gz	HEXRLGQGFKVARU-MNOVXSKESA-N	-1	0	300.355	0.986	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2nc3ccccn3n2)c1	ZINC000357391320	416072338	/nfs/dbraw/zinc/07/23/38/416072338.db2.gz	QETJGHWRTCOQMK-UHFFFAOYSA-N	-1	0	300.303	0.797	20	30		DCEDRM
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@H](C(=O)[O-])C1	ZINC000159700266	416006517	/nfs/dbraw/zinc/00/65/17/416006517.db2.gz	YUFQXSIBKXMQEM-CABZTGNLSA-N	-1	0	309.347	0.827	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1	ZINC000328840217	416134256	/nfs/dbraw/zinc/13/42/56/416134256.db2.gz	OAXWVMXFVKWGCK-SECBINFHSA-N	-1	0	311.367	0.323	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@@H](C#N)C1	ZINC000330644012	416221713	/nfs/dbraw/zinc/22/17/13/416221713.db2.gz	FUJDZUNXPJSMRW-JTQLQIEISA-N	-1	0	309.347	0.423	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H]1CCCNC1=O	ZINC000330687259	416231141	/nfs/dbraw/zinc/23/11/41/416231141.db2.gz	BSDYXTJLMHRBQN-NSHDSACASA-N	-1	0	311.363	0.641	20	30		DCEDRM
CC(=O)N1CC(/N=C(/[O-])c2cnc3scc(C)n3c2=O)C1	ZINC000329298368	416160811	/nfs/dbraw/zinc/16/08/11/416160811.db2.gz	UHWRWGFWRFLHBZ-UHFFFAOYSA-N	-1	0	306.347	0.600	20	30		DCEDRM
CNC(=O)[C@@H](/N=C(/[O-])c1cnc2n(c1=O)CCS2)C(C)C	ZINC000331011661	416253118	/nfs/dbraw/zinc/25/31/18/416253118.db2.gz	FFFPENVXDHQEHV-VIFPVBQESA-N	-1	0	310.379	0.424	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)N=c2nc(SC)[n-]s2)CCO1	ZINC000331036290	416254371	/nfs/dbraw/zinc/25/43/71/416254371.db2.gz	BDKZYABHJXVBJY-LURJTMIESA-N	-1	0	318.380	0.679	20	30		DCEDRM
CC#CCNC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1	ZINC000190187112	416276443	/nfs/dbraw/zinc/27/64/43/416276443.db2.gz	RTHTZHXMPYBOPX-GFCCVEGCSA-N	-1	0	300.318	0.582	20	30		DCEDRM
O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCC#Cc2cccc(F)c2)C1	ZINC000420585362	416418978	/nfs/dbraw/zinc/41/89/78/416418978.db2.gz	PKUBOIHCFXHNLQ-GFCCVEGCSA-N	-1	0	318.304	0.227	20	30		DCEDRM
N#Cc1ncn(CC2=Nc3ccccc3S(=O)(=O)[N-]2)c1C#N	ZINC000361791101	416498013	/nfs/dbraw/zinc/49/80/13/416498013.db2.gz	YYZWDDQFZSBUMO-UHFFFAOYSA-N	-1	0	312.314	0.649	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CCO[C@H]1C(=C)C)C(=O)[O-]	ZINC000556707303	416716591	/nfs/dbraw/zinc/71/65/91/416716591.db2.gz	AGTACGGEJNSNKK-AGIUHOORSA-N	-1	0	312.366	0.923	20	30		DCEDRM
C=CCn1cc(CNC(=O)N=c2nc([C@@H](C)OC)[n-]s2)nn1	ZINC000425683739	416722129	/nfs/dbraw/zinc/72/21/29/416722129.db2.gz	LYJDXTPKPNBEDA-MRVPVSSYSA-N	-1	0	323.382	0.767	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCOC)CC(=O)[O-]	ZINC000562648141	416870904	/nfs/dbraw/zinc/87/09/04/416870904.db2.gz	OGBLGIJFOVYRTJ-DGCLKSJQSA-N	-1	0	300.355	0.710	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1(C(=O)[O-])CCC1	ZINC000567476162	417062642	/nfs/dbraw/zinc/06/26/42/417062642.db2.gz	CGBVWOQEBFTXIG-JTQLQIEISA-N	-1	0	303.384	0.557	20	30		DCEDRM
CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc(C#N)o2)s1	ZINC000432420663	417180158	/nfs/dbraw/zinc/18/01/58/417180158.db2.gz	CLFHEKVQSIVKEN-UHFFFAOYSA-N	-1	0	313.320	0.627	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000627273820	417323878	/nfs/dbraw/zinc/32/38/78/417323878.db2.gz	LATVTIKLTIZFII-RYUDHWBXSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C[C@H](C#N)CNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000573808152	417476467	/nfs/dbraw/zinc/47/64/67/417476467.db2.gz	LSBDRMDXPWGKPI-SSDOTTSWSA-N	-1	0	313.291	0.731	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)CC1CC(F)(F)C1)C(=O)[O-]	ZINC000575919910	417560277	/nfs/dbraw/zinc/56/02/77/417560277.db2.gz	DBBDUVGCPYVKOR-SECBINFHSA-N	-1	0	313.322	0.607	20	30		DCEDRM
N#CCC1(CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F)CC1	ZINC000575320769	417527948	/nfs/dbraw/zinc/52/79/48/417527948.db2.gz	HEQXZHRCMIUURL-MRVPVSSYSA-N	-1	0	310.322	0.956	20	30		DCEDRM
COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C#N)s1	ZINC000576421364	417609514	/nfs/dbraw/zinc/60/95/14/417609514.db2.gz	WNYBRWLXVWMAAD-QMMMGPOBSA-N	-1	0	318.376	0.730	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000646046900	417862036	/nfs/dbraw/zinc/86/20/36/417862036.db2.gz	BHXUSSRKNGBICJ-TUAOUCFPSA-N	-1	0	320.411	0.455	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000647589544	418028242	/nfs/dbraw/zinc/02/82/42/418028242.db2.gz	QDDXXZWSRTZBBZ-RHYQMDGZSA-N	-1	0	310.350	0.063	20	30		DCEDRM
C=CCCS(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000647623893	418034685	/nfs/dbraw/zinc/03/46/85/418034685.db2.gz	JFJCXXHMQYLUOT-JTQLQIEISA-N	-1	0	314.367	0.519	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000659059536	418051134	/nfs/dbraw/zinc/05/11/34/418051134.db2.gz	TXXALLAZTLWCGE-UHFFFAOYSA-N	-1	0	307.306	0.379	20	30		DCEDRM
C=CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1	ZINC000653293685	418055289	/nfs/dbraw/zinc/05/52/89/418055289.db2.gz	HVEBSJCCAFZZGU-QJPTWQEYSA-N	-1	0	315.391	0.689	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-]	ZINC000654805771	418190813	/nfs/dbraw/zinc/19/08/13/418190813.db2.gz	UUBJFOICBGMGLK-SNVBAGLBSA-N	-1	0	318.395	0.530	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCN(C)C(=O)[C@@H]2C)cc1C#N	ZINC000428571496	269814747	/nfs/dbraw/zinc/81/47/47/269814747.db2.gz	FOQVFSTUHYLCGV-QMMMGPOBSA-N	-1	0	320.374	0.683	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc3c(c2)C(=O)NC3=O)[n-]c1C#N	ZINC000355571074	261348164	/nfs/dbraw/zinc/34/81/64/261348164.db2.gz	RJERNQAFTDPOAM-UHFFFAOYSA-N	-1	0	306.241	0.289	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cnn(C2CCOCC2)c1	ZINC000358530908	261680260	/nfs/dbraw/zinc/68/02/60/261680260.db2.gz	SSLDKYBBODESEA-UHFFFAOYSA-N	-1	0	322.350	0.630	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000422663971	262422853	/nfs/dbraw/zinc/42/28/53/262422853.db2.gz	QSUALOBDWPDMMS-LBPRGKRZSA-N	-1	0	319.317	0.731	20	30		DCEDRM
N#Cc1cccc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1	ZINC000424480831	262502371	/nfs/dbraw/zinc/50/23/71/262502371.db2.gz	ZDBAOWQLRMTXQY-LLVKDONJSA-N	-1	0	323.330	0.274	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@H]1CCn2ccnc2C1	ZINC000517006624	268326485	/nfs/dbraw/zinc/32/64/85/268326485.db2.gz	HXERFZLUBYHQGS-JTQLQIEISA-N	-1	0	303.347	0.443	20	30		DCEDRM
COCCS(=O)(=O)[N-]c1nn(-c2ccc(C#N)cn2)cc1C	ZINC000359105480	271095499	/nfs/dbraw/zinc/09/54/99/271095499.db2.gz	QVPPUCBNSQSTDX-UHFFFAOYSA-N	-1	0	321.362	0.836	20	30		DCEDRM
COC[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000548550661	288153059	/nfs/dbraw/zinc/15/30/59/288153059.db2.gz	OLUXNPXNOBLXAK-VIFPVBQESA-N	-1	0	302.283	0.075	20	30		DCEDRM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCOC[C@@H]1C#N	ZINC000273755702	301156639	/nfs/dbraw/zinc/15/66/39/301156639.db2.gz	QEEKYIZTZOSYRP-NSHDSACASA-N	-1	0	310.331	0.606	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000274919303	303184208	/nfs/dbraw/zinc/18/42/08/303184208.db2.gz	AUSPKMWCQVQEMO-SECBINFHSA-N	-1	0	316.335	0.846	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)ccc1F	ZINC001259420026	1159142025	/nfs/dbraw/zinc/14/20/25/1159142025.db2.gz	KNEIJINZNYIMIG-SECBINFHSA-N	-1	0	315.307	0.285	20	30		DCEDRM
CC#CCNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000536525992	332283260	/nfs/dbraw/zinc/28/32/60/332283260.db2.gz	GBJWUSKCOWCRNA-UHFFFAOYSA-N	-1	0	312.329	0.665	20	30		DCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1COCCO1	ZINC000048518441	332303942	/nfs/dbraw/zinc/30/39/42/332303942.db2.gz	ZGFHJBWKQYJJGS-SECBINFHSA-N	-1	0	303.340	0.098	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000566312538	332335545	/nfs/dbraw/zinc/33/55/45/332335545.db2.gz	NUXBRASRCJZPHX-NQBHXWOUSA-N	-1	0	315.395	0.652	20	30		DCEDRM
CC(C)(C)c1nc(=NC(=O)C(=O)NCC2(C#N)CC2)s[n-]1	ZINC000564699696	332397722	/nfs/dbraw/zinc/39/77/22/332397722.db2.gz	KDFNMUUOCUJDGS-UHFFFAOYSA-N	-1	0	307.379	0.616	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](NC(=O)OCC)C(C)C	ZINC000497235390	333226643	/nfs/dbraw/zinc/22/66/43/333226643.db2.gz	FTRMNAUFVINPBA-SNVBAGLBSA-N	-1	0	304.368	0.226	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H]([C@H]2CCCO2)[C@H]1C(=O)[O-]	ZINC000563225612	333487974	/nfs/dbraw/zinc/48/79/74/333487974.db2.gz	JEPRGFQUBYBWDU-UTUOFQBUSA-N	-1	0	303.380	0.846	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](CC1CCC1)C(=O)[O-]	ZINC000563226044	333488189	/nfs/dbraw/zinc/48/81/89/333488189.db2.gz	LGLVSECARHBVJA-MWLCHTKSSA-N	-1	0	303.384	0.698	20	30		DCEDRM
Cc1nc2n(n1)C[C@@H](/N=C(/[O-])Nc1c(C)ccn(C)c1=O)CC2	ZINC000329867743	336090799	/nfs/dbraw/zinc/09/07/99/336090799.db2.gz	WLTSJWXZNYRSJV-NSHDSACASA-N	-1	0	316.365	0.935	20	30		DCEDRM
CSc1nc(=NC(=O)N2C[C@@H]3[C@H](C2)OCCN3C)s[n-]1	ZINC000330013492	336105826	/nfs/dbraw/zinc/10/58/26/336105826.db2.gz	MFXJLJMCZSVDOK-SFYZADRCSA-N	-1	0	315.424	0.820	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@H]1COc2ccccc2C1)C(=O)[O-]	ZINC000580390553	336264609	/nfs/dbraw/zinc/26/46/09/336264609.db2.gz	ASHRCQWPRKTAIM-CHWSQXEVSA-N	-1	0	320.345	0.945	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCc1cc(C(=O)[O-])co1	ZINC000582488326	337097940	/nfs/dbraw/zinc/09/79/40/337097940.db2.gz	BFAVYWPWWNTGJT-MRVPVSSYSA-N	-1	0	301.324	0.404	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000582902193	337213266	/nfs/dbraw/zinc/21/32/66/337213266.db2.gz	HTTMSRPFYOVKKC-RYUDHWBXSA-N	-1	0	318.395	0.209	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)CC[C@@H]1CCC(=O)[O-]	ZINC000584395231	337317332	/nfs/dbraw/zinc/31/73/32/337317332.db2.gz	QRSWUOGHLCZITC-NEPJUHHUSA-N	-1	0	317.411	0.899	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000420592882	337508295	/nfs/dbraw/zinc/50/82/95/337508295.db2.gz	ZLJSOMTYPARFCN-UTUOFQBUSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CC1	ZINC000422832116	337688341	/nfs/dbraw/zinc/68/83/41/337688341.db2.gz	XOYNOAPXUPULPT-YPMHNXCESA-N	-1	0	308.378	0.980	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000496289576	340002259	/nfs/dbraw/zinc/00/22/59/340002259.db2.gz	BHBFJORYXLZXGF-JTQLQIEISA-N	-1	0	318.395	0.617	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCc1cc(C(=O)[O-])co1	ZINC000517573486	340472559	/nfs/dbraw/zinc/47/25/59/340472559.db2.gz	VSQPJPPRNKTBSX-MRVPVSSYSA-N	-1	0	301.324	0.546	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)n(C)c1	ZINC000548559979	341266042	/nfs/dbraw/zinc/26/60/42/341266042.db2.gz	WPIKEDIOHGLGMA-UHFFFAOYSA-N	-1	0	316.335	0.073	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-]	ZINC000565735357	341536554	/nfs/dbraw/zinc/53/65/54/341536554.db2.gz	MLQLMVSUXCCRPR-LLVKDONJSA-N	-1	0	300.336	0.788	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCc1cc(C(=O)[O-])co1	ZINC000566312445	341553734	/nfs/dbraw/zinc/55/37/34/341553734.db2.gz	ROMUJVSCRYNNHA-SECBINFHSA-N	-1	0	315.351	0.794	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1sccc1OC)C(=O)[O-]	ZINC000566970880	341573023	/nfs/dbraw/zinc/57/30/23/341573023.db2.gz	HMJVAWGSIAPNGM-QMMMGPOBSA-N	-1	0	321.376	0.691	20	30		DCEDRM
C=CCNC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1	ZINC000266218368	526639147	/nfs/dbraw/zinc/63/91/47/526639147.db2.gz	IABGXHQHWGWYTL-UHFFFAOYSA-N	-1	0	314.363	0.991	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CSCN1C(=O)CC)C(=O)[O-]	ZINC000263040636	526789424	/nfs/dbraw/zinc/78/94/24/526789424.db2.gz	PEJHLSSMCNXTLV-NXEZZACHSA-N	-1	0	316.379	0.070	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(=O)[O-]	ZINC000263068790	526791592	/nfs/dbraw/zinc/79/15/92/526791592.db2.gz	REWAHQXZVUDFLG-SNVBAGLBSA-N	-1	0	324.289	0.989	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)C(=O)[O-]	ZINC000263040880	526804166	/nfs/dbraw/zinc/80/41/66/526804166.db2.gz	PGJJZGRNVKHMHB-PWSUYJOCSA-N	-1	0	312.366	0.453	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)[O-]	ZINC000262878768	526806251	/nfs/dbraw/zinc/80/62/51/526806251.db2.gz	BXWPTGCJPLJSAH-AAEUAGOBSA-N	-1	0	324.377	0.550	20	30		DCEDRM
C=CCOc1ccccc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000370851632	526923428	/nfs/dbraw/zinc/92/34/28/526923428.db2.gz	KBPWQSXSBOTYCB-CYBMUJFWSA-N	-1	0	315.333	0.978	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O	ZINC000291182624	527069677	/nfs/dbraw/zinc/06/96/77/527069677.db2.gz	FTHGDPCIBNXGHA-HNNXBMFYSA-N	-1	0	319.292	0.274	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000159565651	527164971	/nfs/dbraw/zinc/16/49/71/527164971.db2.gz	YCMRWDIWGCHPCS-LLVKDONJSA-N	-1	0	312.303	0.491	20	30		DCEDRM
C=CCc1ccc(OCC(=O)NC[C@](C)(O)C(=O)[O-])c(OC)c1	ZINC000262458254	527251358	/nfs/dbraw/zinc/25/13/58/527251358.db2.gz	FLTXERBONVOUJS-INIZCTEOSA-N	-1	0	323.345	0.754	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000422665293	536648721	/nfs/dbraw/zinc/64/87/21/536648721.db2.gz	WGIPNXUEBRAUNV-NSHDSACASA-N	-1	0	317.301	0.581	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CCN(CC#N)CC2)c1	ZINC000424676217	536917703	/nfs/dbraw/zinc/91/77/03/536917703.db2.gz	GZLCPKFZWJUDBX-QFIPXVFZSA-N	-1	0	321.402	0.471	20	30		DCEDRM
Cc1nc(C)c(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)s1	ZINC000737473826	599165109	/nfs/dbraw/zinc/16/51/09/599165109.db2.gz	LOHUFSVRZMRUEC-UHFFFAOYSA-N	-1	0	301.339	0.639	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000738597369	597004112	/nfs/dbraw/zinc/00/41/12/597004112.db2.gz	RKMPYVNPVBJEHJ-GWCFXTLKSA-N	-1	0	300.318	0.982	20	30		DCEDRM
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1	ZINC000738496234	597045955	/nfs/dbraw/zinc/04/59/55/597045955.db2.gz	UTYQINXDQVZMPB-UHFFFAOYSA-N	-1	0	320.305	0.133	20	30		DCEDRM
N#CCN1CCC(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1	ZINC000819091231	597061533	/nfs/dbraw/zinc/06/15/33/597061533.db2.gz	VABCKEDPVPOKHC-LBPRGKRZSA-N	-1	0	308.382	0.871	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NCCC(=O)[O-])CCN1Cc1ccccc1	ZINC000819091305	597294841	/nfs/dbraw/zinc/29/48/41/597294841.db2.gz	XFCVSNPDNZMFOL-CQSZACIVSA-N	-1	0	316.361	0.881	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2cnccn2)CC1	ZINC000819824475	597632926	/nfs/dbraw/zinc/63/29/26/597632926.db2.gz	YFDJUTFAXFNUOH-CQSZACIVSA-N	-1	0	303.322	0.130	20	30		DCEDRM
CCCNC(=O)[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820321332	597640192	/nfs/dbraw/zinc/64/01/92/597640192.db2.gz	XDRCPOTUPRAZPV-NHYWBVRUSA-N	-1	0	309.366	0.756	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1N=NC(=S)N1C1CC1	ZINC000819847279	597644539	/nfs/dbraw/zinc/64/45/39/597644539.db2.gz	KYRACFMZGHTCSR-LBPRGKRZSA-N	-1	0	309.351	0.522	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC1N=NC(=S)N1C1CC1	ZINC000819847273	597644562	/nfs/dbraw/zinc/64/45/62/597644562.db2.gz	KYRACFMZGHTCSR-GFCCVEGCSA-N	-1	0	309.351	0.522	20	30		DCEDRM
Cc1nc(CN2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)no1	ZINC000821171468	597646334	/nfs/dbraw/zinc/64/63/34/597646334.db2.gz	VJHGZIXEJSONFY-CQSZACIVSA-N	-1	0	321.337	0.027	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1cccc(CC#N)c1)[C@H](C)C(=O)[O-]	ZINC000819758141	597696402	/nfs/dbraw/zinc/69/64/02/597696402.db2.gz	LBYMCOILHPQPFF-LLVKDONJSA-N	-1	0	317.345	0.804	20	30		DCEDRM
CC(=NNCCC(=O)[O-])c1cccc(OCC(=O)N(C)C)c1	ZINC000819726378	597743427	/nfs/dbraw/zinc/74/34/27/597743427.db2.gz	GRJQTGPTEUKQHK-UHFFFAOYSA-N	-1	0	307.350	0.942	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC(=O)Nc1cccc(F)c1	ZINC000819835787	598225782	/nfs/dbraw/zinc/22/57/82/598225782.db2.gz	XXDNCZXYCMAUMJ-CQSZACIVSA-N	-1	0	307.281	0.885	20	30		DCEDRM
Cn1c2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2n(C)c1=O	ZINC000821269208	598225984	/nfs/dbraw/zinc/22/59/84/598225984.db2.gz	PQEOMIKWQWDTEV-OAHLLOKOSA-N	-1	0	316.317	0.820	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NCc1ccc(F)cc1	ZINC000819866317	598227222	/nfs/dbraw/zinc/22/72/22/598227222.db2.gz	VLELOFKATFMSMJ-OAHLLOKOSA-N	-1	0	322.292	0.990	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccnc(-n2ccnc2)c1	ZINC000819848232	598227312	/nfs/dbraw/zinc/22/73/12/598227312.db2.gz	RLZVUKFGRUFMCK-OAHLLOKOSA-N	-1	0	313.317	0.888	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(O[C@@H]2CCOC2)CC1	ZINC000819811461	598229417	/nfs/dbraw/zinc/22/94/17/598229417.db2.gz	OZKSULGKYZDHMV-IUODEOHRSA-N	-1	0	310.350	0.787	20	30		DCEDRM
N#Cc1nc(NC(=O)Cc2cccc(O)c2)[n-]c1-c1nn[nH]n1	ZINC000737706729	598285288	/nfs/dbraw/zinc/28/52/88/598285288.db2.gz	YRGHBJIHBKHJAP-UHFFFAOYSA-N	-1	0	310.277	0.348	20	30		DCEDRM
N#Cc1nc(NC(=O)C2CCSCC2)[n-]c1-c1nn[nH]n1	ZINC000737704682	598798860	/nfs/dbraw/zinc/79/88/60/598798860.db2.gz	IRUOMBLHEISDKN-UHFFFAOYSA-N	-1	0	304.339	0.543	20	30		DCEDRM
Cn1nc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cc1C1CC1	ZINC000822705085	599314194	/nfs/dbraw/zinc/31/41/94/599314194.db2.gz	UTBVOGKOROYALW-UHFFFAOYSA-N	-1	0	324.308	0.325	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2Cc3ccccc3O2)[n-]c1-c1nn[nH]n1	ZINC000822815592	599315638	/nfs/dbraw/zinc/31/56/38/599315638.db2.gz	UIKVSVDSSRMXOV-SNVBAGLBSA-N	-1	0	322.288	0.404	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)COc1ccc(C#N)cc1	ZINC000737606268	599751643	/nfs/dbraw/zinc/75/16/43/599751643.db2.gz	VTTGOWSPZUIIFD-UHFFFAOYSA-N	-1	0	306.274	0.023	20	30		DCEDRM
CC(C)(NC(=O)[O-])C(=O)OCC(=O)NCc1cccc(C#N)c1	ZINC000736334245	599862540	/nfs/dbraw/zinc/86/25/40/599862540.db2.gz	ZEEYUAXQTVEZCD-UHFFFAOYSA-N	-1	0	319.317	0.764	20	30		DCEDRM
Cc1oc(NC(=O)[C@@H](C)N2CCO[C@H](C(=O)[O-])C2)c(C#N)c1C	ZINC000738388987	599971267	/nfs/dbraw/zinc/97/12/67/599971267.db2.gz	RWSJISOOTUTROB-SKDRFNHKSA-N	-1	0	321.333	0.881	20	30		DCEDRM
N#C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CCO1	ZINC000093932512	599981226	/nfs/dbraw/zinc/98/12/26/599981226.db2.gz	XDYBNWXOMBVDQN-QMMMGPOBSA-N	-1	0	302.333	0.359	20	30		DCEDRM
O=C([O-])C1=C(C(=O)C2CC2)[C@H](c2csnn2)NC(=S)N1	ZINC000738529628	599986010	/nfs/dbraw/zinc/98/60/10/599986010.db2.gz	ZTCAWNXXSOUZGE-ZETCQYMHSA-N	-1	0	310.360	0.375	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)CCSCC(=O)[O-])CC1	ZINC000736346927	600066598	/nfs/dbraw/zinc/06/65/98/600066598.db2.gz	CWTWZXVQPOSJGB-LBPRGKRZSA-N	-1	0	313.423	0.887	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000736079964	600102135	/nfs/dbraw/zinc/10/21/35/600102135.db2.gz	PTKSKHQMYOFVDX-GJZGRUSLSA-N	-1	0	300.358	0.896	20	30		DCEDRM
Cc1oc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c(C#N)c1C	ZINC000738975032	600171154	/nfs/dbraw/zinc/17/11/54/600171154.db2.gz	KBSQNJBRUPSUQR-DTWKUNHWSA-N	-1	0	306.274	0.971	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1	ZINC000736105886	600333798	/nfs/dbraw/zinc/33/37/98/600333798.db2.gz	NOHANXIZIBKENZ-UHFFFAOYSA-N	-1	0	319.317	0.132	20	30		DCEDRM
Cc1nc(-c2ncccn2)sc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000738839727	600404328	/nfs/dbraw/zinc/40/43/28/600404328.db2.gz	WPAAVGBFPZSHBJ-UHFFFAOYSA-N	-1	0	317.330	0.959	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000736087980	600545591	/nfs/dbraw/zinc/54/55/91/600545591.db2.gz	PSITUXZDFJLGGR-AWEZNQCLSA-N	-1	0	318.329	0.694	20	30		DCEDRM
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCO[C@H](C(=O)[O-])C1	ZINC000737580351	600569063	/nfs/dbraw/zinc/56/90/63/600569063.db2.gz	NSIDCJUSHXOIFZ-STQMWFEESA-N	-1	0	304.302	0.558	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)CN2CCCC2=O)C(=O)[O-])cc1	ZINC000739109376	600610099	/nfs/dbraw/zinc/61/00/99/600610099.db2.gz	KVLQFWFCYNVLDO-AWEZNQCLSA-N	-1	0	302.286	0.850	20	30		DCEDRM
CNC(=O)C1(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000737535837	600616823	/nfs/dbraw/zinc/61/68/23/600616823.db2.gz	QTVXJQTYYMVKON-LLVKDONJSA-N	-1	0	302.286	0.753	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000736088184	600656810	/nfs/dbraw/zinc/65/68/10/600656810.db2.gz	SZBUIWUOJNSERH-UHFFFAOYSA-N	-1	0	324.333	0.945	20	30		DCEDRM
N#CCCCCS(=O)(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC000739070272	600723683	/nfs/dbraw/zinc/72/36/83/600723683.db2.gz	YNUQCLIMDCFWAR-SNVBAGLBSA-N	-1	0	306.409	0.902	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833063553	600773224	/nfs/dbraw/zinc/77/32/24/600773224.db2.gz	YYBHOPBHPXFYHX-GFCCVEGCSA-N	-1	0	310.331	0.439	20	30		DCEDRM
N#C[C@@H]1CN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CCO1	ZINC000833063543	600797888	/nfs/dbraw/zinc/79/78/88/600797888.db2.gz	YSGPWBZSKDXTJB-MWLCHTKSSA-N	-1	0	321.358	0.776	20	30		DCEDRM
N#Cc1ccc(-c2nnc(CN3CCO[C@H](C(=O)[O-])C3)o2)cc1	ZINC000819096032	600824913	/nfs/dbraw/zinc/82/49/13/600824913.db2.gz	SSSVTVXHPTXSNR-LBPRGKRZSA-N	-1	0	314.301	0.894	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000825625874	601290071	/nfs/dbraw/zinc/29/00/71/601290071.db2.gz	OZLMVWJPVMGHQA-UHFFFAOYSA-N	-1	0	318.264	0.766	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CCO[C@H](CC(=O)[O-])C2)nc1	ZINC000825618504	601381542	/nfs/dbraw/zinc/38/15/42/601381542.db2.gz	CQGJDXWBJFOJSB-GFCCVEGCSA-N	-1	0	303.318	0.125	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)c2cc(C(N)=O)c[nH]2)C(=O)[O-])cc1	ZINC000833071576	601470029	/nfs/dbraw/zinc/47/00/29/601470029.db2.gz	HEIOQMJYBRMDJZ-LBPRGKRZSA-N	-1	0	313.269	0.968	20	30		DCEDRM
C#CC(C)(C)NC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC000825600568	601556833	/nfs/dbraw/zinc/55/68/33/601556833.db2.gz	VGMYEVBXCLSZRX-UHFFFAOYSA-N	-1	0	317.345	0.963	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000827981018	602049857	/nfs/dbraw/zinc/04/98/57/602049857.db2.gz	RGEPTRMJVCXTBV-AWEZNQCLSA-N	-1	0	319.321	0.058	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CCO1	ZINC000738421068	602126817	/nfs/dbraw/zinc/12/68/17/602126817.db2.gz	APMAXMLQUWUDII-GFCCVEGCSA-N	-1	0	317.301	0.003	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)CCN1C(=O)[O-]	ZINC000826074331	603122435	/nfs/dbraw/zinc/12/24/35/603122435.db2.gz	LJIUMBVZPHBDPS-SNVBAGLBSA-N	-1	0	309.347	0.931	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1	ZINC000736090738	603319790	/nfs/dbraw/zinc/31/97/90/603319790.db2.gz	IUMBVCLLYCIXCC-CYBMUJFWSA-N	-1	0	315.329	0.865	20	30		DCEDRM
Cc1csc(=O)n1CCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830655196	603596446	/nfs/dbraw/zinc/59/64/46/603596446.db2.gz	KMFZWKXPGIKMJV-SNVBAGLBSA-N	-1	0	324.362	0.323	20	30		DCEDRM
CN(CC#N)CN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O	ZINC000828086001	603597875	/nfs/dbraw/zinc/59/78/75/603597875.db2.gz	NBMOGONHUAJDAH-YGRLFVJLSA-N	-1	0	323.353	0.148	20	30		DCEDRM
N#Cc1cccc(NC(=O)CN2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000831152747	603726890	/nfs/dbraw/zinc/72/68/90/603726890.db2.gz	LJEZQVCAKYJOHE-CYBMUJFWSA-N	-1	0	313.317	0.685	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C2(NC(=O)[O-])Cc3ccccc3C2)CCO1	ZINC000831077216	603762775	/nfs/dbraw/zinc/76/27/75/603762775.db2.gz	XPEXBBORHWGVGS-CYBMUJFWSA-N	-1	0	315.329	0.543	20	30		DCEDRM
Cc1ccsc1S(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830621104	603918282	/nfs/dbraw/zinc/91/82/82/603918282.db2.gz	ZJSITDMOLFHAJD-VIFPVBQESA-N	-1	0	315.376	0.933	20	30		DCEDRM
C[C@H](CC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1)NC(=O)[O-]	ZINC000824709666	603963992	/nfs/dbraw/zinc/96/39/92/603963992.db2.gz	CKGLCHVHXBYNRT-PRHODGIISA-N	-1	0	305.290	0.674	20	30		DCEDRM
Cn1nnc2cc(C(=O)N3CCN(C(=O)[O-])C[C@@H]3C#N)ccc21	ZINC000831058407	604068985	/nfs/dbraw/zinc/06/89/85/604068985.db2.gz	GYNHBNUADABCCE-JTQLQIEISA-N	-1	0	314.305	0.296	20	30		DCEDRM
C[S@](=O)c1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000829699801	604069096	/nfs/dbraw/zinc/06/90/96/604069096.db2.gz	MVDXZMZXSVBPNM-SAHAZLINSA-N	-1	0	321.358	0.752	20	30		DCEDRM
COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)C1	ZINC000828631147	604079992	/nfs/dbraw/zinc/07/99/92/604079992.db2.gz	MFNKKGGOFMNAIN-QJPTWQEYSA-N	-1	0	323.349	0.680	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1noc2c1CCCC2	ZINC000831091468	604084106	/nfs/dbraw/zinc/08/41/06/604084106.db2.gz	FOKJKJQHFXWGPK-SECBINFHSA-N	-1	0	304.306	0.881	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cn1cc2ccccc2n1	ZINC000831087964	604089701	/nfs/dbraw/zinc/08/97/01/604089701.db2.gz	UWMHJIPIJJCBOG-LBPRGKRZSA-N	-1	0	313.317	0.751	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCNC(=O)[O-]	ZINC000823463970	604123339	/nfs/dbraw/zinc/12/33/39/604123339.db2.gz	ZSXVLPLFKGFRQN-UHFFFAOYSA-N	-1	0	323.280	0.160	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N[C@H]2CCCCN(C(=O)[O-])C2)n1	ZINC000830984294	604154877	/nfs/dbraw/zinc/15/48/77/604154877.db2.gz	BGSVWQPJVFVQSJ-JTQLQIEISA-N	-1	0	306.326	0.946	20	30		DCEDRM
CN(C(=O)[O-])[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000827898874	604222496	/nfs/dbraw/zinc/22/24/96/604222496.db2.gz	ARFCJDBLQPXEBU-SNVBAGLBSA-N	-1	0	324.362	0.394	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N(C)C1CCC(NC(=O)[O-])CC1	ZINC000828272950	604229476	/nfs/dbraw/zinc/22/94/76/604229476.db2.gz	JIWUQXTZLUNNGE-UHFFFAOYSA-N	-1	0	318.399	0.587	20	30		DCEDRM
CC(C)[C@@H](CCN(C)S(=O)(=O)N(C)CCC#N)NC(=O)[O-]	ZINC000824105599	604237909	/nfs/dbraw/zinc/23/79/09/604237909.db2.gz	YWEJBVSUSMYZFL-LLVKDONJSA-N	-1	0	320.415	0.691	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)Cc1ccccc1	ZINC000831091287	604244549	/nfs/dbraw/zinc/24/45/49/604244549.db2.gz	ANJJHKDYMKTCPV-LBPRGKRZSA-N	-1	0	309.347	0.704	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000830411481	604244594	/nfs/dbraw/zinc/24/45/94/604244594.db2.gz	WWRUVYJCJYBYTR-LLVKDONJSA-N	-1	0	309.347	0.872	20	30		DCEDRM
N#Cc1ncn(CC(=O)NCCOc2ccc(C(=O)[O-])cc2)n1	ZINC000833078048	604311843	/nfs/dbraw/zinc/31/18/43/604311843.db2.gz	BAMHEAWNJHQBIY-UHFFFAOYSA-N	-1	0	315.289	0.043	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])cn1	ZINC000823467461	604408222	/nfs/dbraw/zinc/40/82/22/604408222.db2.gz	WVWNYUVLLAOJFX-CYBMUJFWSA-N	-1	0	302.334	0.087	20	30		DCEDRM
C#CCNC(=O)COC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823455959	604542311	/nfs/dbraw/zinc/54/23/11/604542311.db2.gz	IFNNNJOFQRUDAX-NWDGAFQWSA-N	-1	0	310.350	0.695	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]2CC(=O)[O-])cc1	ZINC000833070566	604597692	/nfs/dbraw/zinc/59/76/92/604597692.db2.gz	MRGASVAIZMLSQT-ZDUSSCGKSA-N	-1	0	315.329	0.754	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000828366087	604693701	/nfs/dbraw/zinc/69/37/01/604693701.db2.gz	RFLMEXGGXKYUKT-CYBMUJFWSA-N	-1	0	303.318	0.895	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)CCO1	ZINC000825309285	604708703	/nfs/dbraw/zinc/70/87/03/604708703.db2.gz	JQZVDAYFYFHOJH-FZMZJTMJSA-N	-1	0	317.345	0.984	20	30		DCEDRM
C=CCOCCCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823516703	604715317	/nfs/dbraw/zinc/71/53/17/604715317.db2.gz	SIQIGHDIRJEHSH-VXGBXAGGSA-N	-1	0	300.355	0.853	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)CNc1ccc(C#N)cc1	ZINC000829954229	604728619	/nfs/dbraw/zinc/72/86/19/604728619.db2.gz	DKDDGJWXYRWKOY-CYBMUJFWSA-N	-1	0	305.334	0.918	20	30		DCEDRM
N#C[C@H]1CN(CCCN2C(=O)CS/C2=C\C(=O)[O-])CCO1	ZINC000833063208	604763059	/nfs/dbraw/zinc/76/30/59/604763059.db2.gz	UJXPZCFEGCHIDV-OGGBREFQSA-N	-1	0	311.363	0.102	20	30		DCEDRM
N#CCCN(Cc1cccnc1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000831097183	604779447	/nfs/dbraw/zinc/77/94/47/604779447.db2.gz	FHKMXCRHLLUXQI-ZDUSSCGKSA-N	-1	0	318.333	0.703	20	30		DCEDRM
CC(=NNC(=S)Nc1ccccn1)c1cn(CC(=O)[O-])nn1	ZINC000825804615	604786682	/nfs/dbraw/zinc/78/66/82/604786682.db2.gz	PABHRBZDULFLIZ-UHFFFAOYSA-N	-1	0	319.350	0.468	20	30		DCEDRM
C=CCN(C[C@H]1CC(C(=O)[O-])=C(C)O1)[C@H]1CCS(=O)(=O)C1	ZINC000833375215	604832732	/nfs/dbraw/zinc/83/27/32/604832732.db2.gz	JTBWKULFYMWHGM-NWDGAFQWSA-N	-1	0	315.391	0.809	20	30		DCEDRM
N#CCCN(Cc1ccccn1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000831097943	604833240	/nfs/dbraw/zinc/83/32/40/604833240.db2.gz	ZHDQOBWWTACGMW-ZDUSSCGKSA-N	-1	0	318.333	0.703	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN1CCc2ccc(C(=O)[O-])cc2C1	ZINC000321945903	604848992	/nfs/dbraw/zinc/84/89/92/604848992.db2.gz	VGCWZWTXTLOHRK-UHFFFAOYSA-N	-1	0	317.345	0.755	20	30		DCEDRM
C[C@H](OC(=O)c1cncc(C(=O)[O-])c1)C(=O)N(C)CCC#N	ZINC000833537194	605018954	/nfs/dbraw/zinc/01/89/54/605018954.db2.gz	VFSJZBLRPFIYRV-VIFPVBQESA-N	-1	0	305.290	0.697	20	30		DCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-]	ZINC000833365587	605027491	/nfs/dbraw/zinc/02/74/91/605027491.db2.gz	VGRBEKRPNHGODD-UHFFFAOYSA-N	-1	0	317.344	0.535	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000833370571	605059555	/nfs/dbraw/zinc/05/95/55/605059555.db2.gz	LPQFRFUZLAZHLF-QMMMGPOBSA-N	-1	0	305.377	0.909	20	30		DCEDRM
C#CCCN1CCN(CC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)CC1	ZINC000833362342	605192307	/nfs/dbraw/zinc/19/23/07/605192307.db2.gz	MZYNOYOANHMENT-UKRRQHHQSA-N	-1	0	309.410	0.243	20	30		DCEDRM
C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)NCC(=O)[O-]	ZINC000833531150	605222703	/nfs/dbraw/zinc/22/27/03/605222703.db2.gz	IEOMJSQUSHGPDZ-SNVBAGLBSA-N	-1	0	316.313	0.988	20	30		DCEDRM
C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000833377464	605229493	/nfs/dbraw/zinc/22/94/93/605229493.db2.gz	YLGOSVFDUBZWIL-UHFFFAOYSA-N	-1	0	320.305	0.133	20	30		DCEDRM
C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000833376829	605229807	/nfs/dbraw/zinc/22/98/07/605229807.db2.gz	FAHHPZVEGWIVAJ-UHFFFAOYSA-N	-1	0	319.317	0.050	20	30		DCEDRM
N#Cc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[O-])C3)C2=O)cc1	ZINC000831122348	605350003	/nfs/dbraw/zinc/35/00/03/605350003.db2.gz	FAESOVFTPMNJNZ-HNNXBMFYSA-N	-1	0	314.301	0.733	20	30		DCEDRM
N#Cc1ccc(F)cc1COC(=O)[C@H](CC(N)=O)NC(=O)[O-]	ZINC000833973801	605416941	/nfs/dbraw/zinc/41/69/41/605416941.db2.gz	NIKMMAIPFXHRRB-JTQLQIEISA-N	-1	0	309.253	0.252	20	30		DCEDRM
N#CCCCS(=O)(=O)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1	ZINC000833965266	605420852	/nfs/dbraw/zinc/42/08/52/605420852.db2.gz	GWEUERAHNFMCCW-SRVKXCTJSA-N	-1	0	315.395	0.988	20	30		DCEDRM
C#CCN1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CC1	ZINC000823450761	605626571	/nfs/dbraw/zinc/62/65/71/605626571.db2.gz	ISDTURUBGRKHAX-LBPRGKRZSA-N	-1	0	311.407	0.249	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000819720240	605674932	/nfs/dbraw/zinc/67/49/32/605674932.db2.gz	PIJDGDRNOXWXTN-UHFFFAOYSA-N	-1	0	310.281	0.781	20	30		DCEDRM
C[C@H](NC(=O)Cn1cnc(C#N)n1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000825127465	605686387	/nfs/dbraw/zinc/68/63/87/605686387.db2.gz	LHSGFPCOUSKAQF-VHSXEESVSA-N	-1	0	306.326	0.044	20	30		DCEDRM
N#Cc1cccc(C(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000833976057	605722533	/nfs/dbraw/zinc/72/25/33/605722533.db2.gz	CCTRMJAXJGJWTQ-CYBMUJFWSA-N	-1	0	318.285	0.663	20	30		DCEDRM
N#Cc1ccc(C(=O)COC(=O)COC2CN(C(=O)[O-])C2)cc1	ZINC000833974056	605722682	/nfs/dbraw/zinc/72/26/82/605722682.db2.gz	SLXBSGPWFRSUTK-UHFFFAOYSA-N	-1	0	318.285	0.663	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000833721511	605758731	/nfs/dbraw/zinc/75/87/31/605758731.db2.gz	WDKSORZDLXUTNS-DZGCQCFKSA-N	-1	0	306.318	0.588	20	30		DCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000833503837	605764380	/nfs/dbraw/zinc/76/43/80/605764380.db2.gz	KHMAQEZRVHSWEF-UONOGXRCSA-N	-1	0	320.345	0.928	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cnn2c1CCCC2	ZINC000833968758	605834663	/nfs/dbraw/zinc/83/46/63/605834663.db2.gz	XTKKFWREFZPHPL-SNVBAGLBSA-N	-1	0	303.322	0.547	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)CN1CCCCC[C@@H]1C(=O)[O-]	ZINC000316140497	605848876	/nfs/dbraw/zinc/84/88/76/605848876.db2.gz	KLVOHIXJWKFNIT-CYBMUJFWSA-N	-1	0	306.366	0.972	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NC[C@H](NC(=O)[O-])C2CC2)cc1	ZINC000833975746	605892138	/nfs/dbraw/zinc/89/21/38/605892138.db2.gz	PUESJOBUWAMPEO-LBPRGKRZSA-N	-1	0	316.317	0.659	20	30		DCEDRM
Cc1nc(NC(=O)[O-])sc1C(=O)OCC(=O)NCCC#N	ZINC000833914372	605951107	/nfs/dbraw/zinc/95/11/07/605951107.db2.gz	NUFGFMHNCABNQF-UHFFFAOYSA-N	-1	0	312.307	0.728	20	30		DCEDRM
N#CC1(NC(=O)[C@H]2CC23CCN(C(=O)[O-])CC3)CCOCC1	ZINC000833964481	605964036	/nfs/dbraw/zinc/96/40/36/605964036.db2.gz	IEPQIKYGFKIEGZ-LLVKDONJSA-N	-1	0	307.350	0.955	20	30		DCEDRM
CC(=O)c1cccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC000819844377	607145081	/nfs/dbraw/zinc/14/50/81/607145081.db2.gz	FPNSPWJOSPDSSL-UHFFFAOYSA-N	-1	0	322.288	0.916	20	30		DCEDRM
Cc1nn(C)cc1C=Nn1c(C)cc(C)c(-c2nnn[n-]2)c1=O	ZINC000826265863	607885435	/nfs/dbraw/zinc/88/54/35/607885435.db2.gz	QWJDBTWHOBQWKH-UHFFFAOYSA-N	-1	0	312.337	0.569	20	30		DCEDRM
CNc1ncc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)s1	ZINC000826099017	608116765	/nfs/dbraw/zinc/11/67/65/608116765.db2.gz	VWWQXCPGMTYYNK-UHFFFAOYSA-N	-1	0	316.310	0.212	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)c1	ZINC001027813029	660772791	/nfs/dbraw/zinc/77/27/91/660772791.db2.gz	MCDYZEYQOLLDJH-SNVBAGLBSA-N	-1	0	315.337	0.104	20	30		DCEDRM
N#CCN[C@@H]1CCC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC000981373041	661139665	/nfs/dbraw/zinc/13/96/65/661139665.db2.gz	DPCCXTPXHJAEGF-GHMZBOCLSA-N	-1	0	314.349	0.177	20	30		DCEDRM
CN(CCO)CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000885805408	667708608	/nfs/dbraw/zinc/70/86/08/667708608.db2.gz	MDYGEKILUKHHGL-UHFFFAOYSA-N	-1	0	319.333	0.039	20	30		DCEDRM
C#CCN1CC([C@@H](C)NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC000970736906	657849346	/nfs/dbraw/zinc/84/93/46/657849346.db2.gz	HWPDPPSDLKSHAC-SECBINFHSA-N	-1	0	300.318	0.612	20	30		DCEDRM
C[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CN(CC#N)C1	ZINC000970738322	657852442	/nfs/dbraw/zinc/85/24/42/657852442.db2.gz	VAFAVFDCVOTQQX-QMMMGPOBSA-N	-1	0	301.306	0.502	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(-n2ccnn2)cc1	ZINC000179342702	658459747	/nfs/dbraw/zinc/45/97/47/658459747.db2.gz	SPKHOZUSGMHYJH-CYBMUJFWSA-N	-1	0	313.317	0.352	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C)cn1	ZINC000066005420	658756637	/nfs/dbraw/zinc/75/66/37/658756637.db2.gz	ZDMWFERSSGNGTA-UHFFFAOYSA-N	-1	0	316.383	0.618	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC[C@@H]1CCCO1	ZINC000893714569	661368370	/nfs/dbraw/zinc/36/83/70/661368370.db2.gz	YLUBDVDSRCMOSR-RYUDHWBXSA-N	-1	0	305.396	0.983	20	30		DCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)CCCCS(C)(=O)=O	ZINC000893809693	661411014	/nfs/dbraw/zinc/41/10/14/661411014.db2.gz	QZSDKZFAVZXISF-UHFFFAOYSA-N	-1	0	311.425	0.469	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001028810047	661834863	/nfs/dbraw/zinc/83/48/63/661834863.db2.gz	VABWOBZKTRLKTP-UTUOFQBUSA-N	-1	0	321.381	0.040	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)NCc1nc2c(c(=O)[nH]1)COCC2	ZINC000896264583	662256856	/nfs/dbraw/zinc/25/68/56/662256856.db2.gz	GZEVCGKMFBNFTM-LLVKDONJSA-N	-1	0	316.361	0.952	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)N(C)C)cc1	ZINC000728411160	662391739	/nfs/dbraw/zinc/39/17/39/662391739.db2.gz	FHXVTKNTVZIQOM-ZDUSSCGKSA-N	-1	0	317.345	0.473	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C(=O)N(C)C)c1	ZINC000728766946	662415978	/nfs/dbraw/zinc/41/59/78/662415978.db2.gz	PXTGLFMDEIWRHP-ZDUSSCGKSA-N	-1	0	317.345	0.473	20	30		DCEDRM
CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cn1	ZINC000728765840	662416103	/nfs/dbraw/zinc/41/61/03/662416103.db2.gz	VBOFQRGIOMBNNB-LBPRGKRZSA-N	-1	0	314.345	0.822	20	30		DCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1	ZINC000899929507	663201714	/nfs/dbraw/zinc/20/17/14/663201714.db2.gz	GLEWSKNWPBDQOZ-GFCCVEGCSA-N	-1	0	300.380	0.517	20	30		DCEDRM
C#CCCCS(=O)(=O)[N-]c1n[nH]c2cc(C)n(C)c(=O)c21	ZINC000903160973	663448050	/nfs/dbraw/zinc/44/80/50/663448050.db2.gz	BWPPVXLQVYEBKF-UHFFFAOYSA-N	-1	0	308.363	0.725	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)N2CCC(OC)CC2)C1	ZINC000906006854	663595254	/nfs/dbraw/zinc/59/52/54/663595254.db2.gz	KRAVXLZERIEGDT-UHFFFAOYSA-N	-1	0	318.395	0.305	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)C(=O)[O-]	ZINC000909765573	663800035	/nfs/dbraw/zinc/80/00/35/663800035.db2.gz	BRDXXEAVTZKTQU-SSDOTTSWSA-N	-1	0	321.255	0.825	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CC1CCN(OC)CC1)C(=O)[O-]	ZINC000909770036	663800325	/nfs/dbraw/zinc/80/03/25/663800325.db2.gz	DNVOIMVOFHMHFI-LBPRGKRZSA-N	-1	0	300.355	0.422	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(C)c1C(F)(F)F)C(=O)[O-]	ZINC000909770043	663800346	/nfs/dbraw/zinc/80/03/46/663800346.db2.gz	HBRAVVVEIKYAGC-MRVPVSSYSA-N	-1	0	321.255	0.825	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@@]1(C)Br)C(=O)[O-]	ZINC000909771443	663800445	/nfs/dbraw/zinc/80/04/45/663800445.db2.gz	PNVSIKJTKAQUQW-DKCNOQQISA-N	-1	0	306.156	0.932	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[O-]	ZINC000910055094	663838024	/nfs/dbraw/zinc/83/80/24/663838024.db2.gz	XKDHABJPKOLQGZ-QWRGUYRKSA-N	-1	0	310.350	0.979	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](C(CC)CC)N1CCOCC1)C(=O)[O-]	ZINC000910050411	663840795	/nfs/dbraw/zinc/84/07/95/663840795.db2.gz	JUJXAWVSSGMGIN-KBPBESRZSA-N	-1	0	310.394	0.716	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC000910050919	663840943	/nfs/dbraw/zinc/84/09/43/663840943.db2.gz	AAUDIMPTCHVODB-XUXIUFHCSA-N	-1	0	310.394	0.713	20	30		DCEDRM
C#CC[C@H](NC(=O)c1nn(C2CCOCC2)cc1C)C(=O)[O-]	ZINC000910049993	663841041	/nfs/dbraw/zinc/84/10/41/663841041.db2.gz	BMCDYXKLWMTOKH-LBPRGKRZSA-N	-1	0	305.334	0.749	20	30		DCEDRM
CC(C)CN(CCC#N)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730537508	664790946	/nfs/dbraw/zinc/79/09/46/664790946.db2.gz	SGZQZRJPGYGDCK-UHFFFAOYSA-N	-1	0	302.338	0.469	20	30		DCEDRM
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1ccc(F)cc1	ZINC000732908092	664973195	/nfs/dbraw/zinc/97/31/95/664973195.db2.gz	HQQVCNMEDQCPFN-LBPRGKRZSA-N	-1	0	324.333	0.405	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccoc2)[nH]n1	ZINC000916890943	665099435	/nfs/dbraw/zinc/09/94/35/665099435.db2.gz	QFUWVYLPTZLGRE-JTQLQIEISA-N	-1	0	302.290	0.755	20	30		DCEDRM
CN1C(=O)c2ccc(C([O-])=C(C#N)C(=O)NC3CC3)cc2C1=O	ZINC000916927273	665101265	/nfs/dbraw/zinc/10/12/65/665101265.db2.gz	PQWPULYKXBZHLQ-GFCCVEGCSA-N	-1	0	311.297	0.513	20	30		DCEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)nn1C	ZINC000917520209	665135491	/nfs/dbraw/zinc/13/54/91/665135491.db2.gz	IUTMQWZKKLWOEI-GFCCVEGCSA-N	-1	0	306.366	0.982	20	30		DCEDRM
CC(C)S(=O)(=O)NN=Cc1cccc(OCC(=O)[O-])c1	ZINC000733204767	666347384	/nfs/dbraw/zinc/34/73/84/666347384.db2.gz	YLCCCWKCTWTULT-UHFFFAOYSA-N	-1	0	300.336	0.812	20	30		DCEDRM
C[C@@H](NC(=O)c1cn[nH]n1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1	ZINC000945627540	666633851	/nfs/dbraw/zinc/63/38/51/666633851.db2.gz	MIOXXENHMBDKLR-DGCLKSJQSA-N	-1	0	315.377	0.575	20	30		DCEDRM
N#CCOc1ccc(CC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc1	ZINC000733723286	666808344	/nfs/dbraw/zinc/80/83/44/666808344.db2.gz	RCQODGVKBGGWFN-CYBMUJFWSA-N	-1	0	324.358	0.366	20	30		DCEDRM
COc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cn1	ZINC000734080455	666843776	/nfs/dbraw/zinc/84/37/76/666843776.db2.gz	RXRUWLMBSMGFPF-UHFFFAOYSA-N	-1	0	318.314	0.476	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC000734089363	666847642	/nfs/dbraw/zinc/84/76/42/666847642.db2.gz	UIDPEVPAEXOWCK-SNVBAGLBSA-N	-1	0	307.368	0.367	20	30		DCEDRM
COc1ccc(C=NNC(=S)N(C)C)c(OCC(=O)[O-])c1	ZINC000734364945	666869107	/nfs/dbraw/zinc/86/91/07/666869107.db2.gz	MSKDRZAPSXNORK-UHFFFAOYSA-N	-1	0	311.363	0.929	20	30		DCEDRM
C#CC[C@H](COC)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000861273693	666914545	/nfs/dbraw/zinc/91/45/45/666914545.db2.gz	CBPIQAHIDUQLMY-LLVKDONJSA-N	-1	0	312.347	0.648	20	30		DCEDRM
C#CC[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC000862576720	667049380	/nfs/dbraw/zinc/04/93/80/667049380.db2.gz	BRBXSPMWRRBJLB-SNVBAGLBSA-N	-1	0	308.359	0.525	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-]	ZINC000863409289	667140570	/nfs/dbraw/zinc/14/05/70/667140570.db2.gz	YHNCEFZSQTXYQS-SNVBAGLBSA-N	-1	0	302.352	0.422	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-]	ZINC000863421370	667142166	/nfs/dbraw/zinc/14/21/66/667142166.db2.gz	WKJNVJLFFDVOMD-MRVPVSSYSA-N	-1	0	307.759	0.603	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000863429251	667142797	/nfs/dbraw/zinc/14/27/97/667142797.db2.gz	AYTSOEUDTRNGNG-ZDUSSCGKSA-N	-1	0	310.331	0.422	20	30		DCEDRM
CON(C)C(=O)[C@@H](C)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000863703063	667170152	/nfs/dbraw/zinc/17/01/52/667170152.db2.gz	IKIZRDHOBPEMNX-SSDOTTSWSA-N	-1	0	324.362	0.519	20	30		DCEDRM
COC[C@@H](C)NC(=S)N1CCc2[n-]c(=O)c(C#N)cc2C1	ZINC000865250774	667315814	/nfs/dbraw/zinc/31/58/14/667315814.db2.gz	JGFZYYDAUGUBSF-SECBINFHSA-N	-1	0	306.391	0.926	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001005917022	667461119	/nfs/dbraw/zinc/46/11/19/667461119.db2.gz	JSYSLHQUUGICFS-YUMQZZPRSA-N	-1	0	305.338	0.160	20	30		DCEDRM
CCn1cc(C([O-])=C(C#N)C(=O)NCCOC)c(C2CC2)n1	ZINC000870139604	667713261	/nfs/dbraw/zinc/71/32/61/667713261.db2.gz	VRCBSIYRRGNXLX-LLVKDONJSA-N	-1	0	304.350	0.865	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nn(C2CCOCC2)cc1C	ZINC000870257818	667725679	/nfs/dbraw/zinc/72/56/79/667725679.db2.gz	DKIRHYHBWGSYRJ-UHFFFAOYSA-N	-1	0	313.379	0.789	20	30		DCEDRM
CN(CC(=O)[N-]Oc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000870691139	667752053	/nfs/dbraw/zinc/75/20/53/667752053.db2.gz	DWNKNDRHFOTMSD-GFCCVEGCSA-N	-1	0	323.374	0.087	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cn2c(C)c(C)sc2=O)CC1	ZINC000870832900	667765045	/nfs/dbraw/zinc/76/50/45/667765045.db2.gz	HCLFPYNZHFBMQS-UHFFFAOYSA-N	-1	0	316.404	0.691	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCN2C(=O)CC)CC1	ZINC000870833038	667765134	/nfs/dbraw/zinc/76/51/34/667765134.db2.gz	VGVRBTHITBUELD-NSHDSACASA-N	-1	0	314.407	0.942	20	30		DCEDRM
COc1cc(C=NN2CC(=O)NC2=O)ccc1OCC(=O)[O-]	ZINC000744809956	667833509	/nfs/dbraw/zinc/83/35/09/667833509.db2.gz	GGHQCQSLFWRBGM-UHFFFAOYSA-N	-1	0	307.262	0.044	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000871973441	667860852	/nfs/dbraw/zinc/86/08/52/667860852.db2.gz	XBLBDTRTHIRDPT-SECBINFHSA-N	-1	0	315.372	0.777	20	30		DCEDRM
C[C@]1(C#N)CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CCO1	ZINC000887665739	667899591	/nfs/dbraw/zinc/89/95/91/667899591.db2.gz	VHDJCRLRGOBPQM-AWEZNQCLSA-N	-1	0	323.374	0.813	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@](C)(C#N)C1	ZINC000887684158	667901032	/nfs/dbraw/zinc/90/10/32/667901032.db2.gz	BRBXNBUEGZBEBB-LLVKDONJSA-N	-1	0	307.272	0.585	20	30		DCEDRM
C=CCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000872703262	667931359	/nfs/dbraw/zinc/93/13/59/667931359.db2.gz	CSSPDZUMAJTPCG-OUAUKWLOSA-N	-1	0	301.364	0.299	20	30		DCEDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000750708674	667985417	/nfs/dbraw/zinc/98/54/17/667985417.db2.gz	PVNNFZZIOHKZLV-UHFFFAOYSA-N	-1	0	316.360	0.633	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)c1cnc([O-])n(C)c1=O	ZINC000751583554	668004840	/nfs/dbraw/zinc/00/48/40/668004840.db2.gz	SLOVAFLQYPPLEO-UHFFFAOYSA-N	-1	0	313.313	0.428	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)C(C)(CO)CO)n1	ZINC000754866715	668052204	/nfs/dbraw/zinc/05/22/04/668052204.db2.gz	LPFQSQLGTILXSM-SECBINFHSA-N	-1	0	312.347	0.162	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnc(O[C@H]2CCOC2)c1	ZINC000755758897	668065599	/nfs/dbraw/zinc/06/55/99/668065599.db2.gz	MGMFNFIPIRSWOD-NSHDSACASA-N	-1	0	312.347	0.495	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cncc(N2CCOCC2)c1	ZINC000757409422	668130602	/nfs/dbraw/zinc/13/06/02/668130602.db2.gz	MMHUUTAHPWJBKV-CQSZACIVSA-N	-1	0	316.361	0.765	20	30		DCEDRM
N#Cc1ccccc1/C=C/C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000758568748	668184446	/nfs/dbraw/zinc/18/44/46/668184446.db2.gz	KZBQXIULHNYPIZ-AATRIKPKSA-N	-1	0	314.326	0.867	20	30		DCEDRM
C=CCNC(=O)[C@H](C)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759147082	668208526	/nfs/dbraw/zinc/20/85/26/668208526.db2.gz	DJONZHOTBHKLGJ-ZETCQYMHSA-N	-1	0	310.272	0.677	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000759675152	668231822	/nfs/dbraw/zinc/23/18/22/668231822.db2.gz	OPLXDUXJBUFEFA-UHFFFAOYSA-N	-1	0	305.306	0.757	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000927215495	668454994	/nfs/dbraw/zinc/45/49/94/668454994.db2.gz	ORIPTQMLMWWXEO-OLZOCXBDSA-N	-1	0	302.334	0.613	20	30		DCEDRM
N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1	ZINC000765856095	668512209	/nfs/dbraw/zinc/51/22/09/668512209.db2.gz	LEUPYXUAPGXQRA-AWEZNQCLSA-N	-1	0	311.345	0.271	20	30		DCEDRM
COC(=O)c1coc(C(=O)/C=C/c2cn(CC(=O)[O-])nn2)c1	ZINC000766503358	668537748	/nfs/dbraw/zinc/53/77/48/668537748.db2.gz	WSSOLKFBWMWZEC-NSCUHMNNSA-N	-1	0	305.246	0.638	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1csc(S(C)(=O)=O)c1	ZINC000766622394	668540561	/nfs/dbraw/zinc/54/05/61/668540561.db2.gz	HIRPXFVJQFXRNN-VIFPVBQESA-N	-1	0	314.388	0.999	20	30		DCEDRM
Cn1nc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1OC(F)F	ZINC000767958219	668593055	/nfs/dbraw/zinc/59/30/55/668593055.db2.gz	CIRNVTCTTVPTDO-MRVPVSSYSA-N	-1	0	312.276	0.966	20	30		DCEDRM
O=C([O-])Cn1cc(/C=C2\S/C(=N/C3CCCC3)NC2=O)nn1	ZINC000768850041	668624914	/nfs/dbraw/zinc/62/49/14/668624914.db2.gz	XVLATIPRCFQHHD-YHYXMXQVSA-N	-1	0	321.362	0.865	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H](OCC)[C@@]12CCCO2	ZINC000929052864	668648119	/nfs/dbraw/zinc/64/81/19/668648119.db2.gz	RTSXKNVBVNEOJK-TYNCELHUSA-N	-1	0	312.366	0.995	20	30		DCEDRM
CC(=O)c1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)n(C)c1	ZINC000771074450	668730112	/nfs/dbraw/zinc/73/01/12/668730112.db2.gz	RRMBJRAEBVURGN-UHFFFAOYSA-N	-1	0	323.374	0.981	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OCC)c(C)n1	ZINC000772717674	668782370	/nfs/dbraw/zinc/78/23/70/668782370.db2.gz	GIJLUUSCMAIEMG-UHFFFAOYSA-N	-1	0	312.347	0.812	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1c(C)nn(CCC#N)c1C	ZINC000772720795	668782646	/nfs/dbraw/zinc/78/26/46/668782646.db2.gz	UMABRGOVEKWYAK-UHFFFAOYSA-N	-1	0	324.406	0.978	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCCCc1c[nH]nn1	ZINC000774174365	668824980	/nfs/dbraw/zinc/82/49/80/668824980.db2.gz	QSYIDELYMFKUCU-UHFFFAOYSA-N	-1	0	313.383	0.513	20	30		DCEDRM
CN(CC(=O)[N-]S(=O)(=O)CCCC#N)[C@H]1CCSC1	ZINC000774290912	668829589	/nfs/dbraw/zinc/82/95/89/668829589.db2.gz	GKKWPBKFNNDTKH-JTQLQIEISA-N	-1	0	305.425	0.173	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C2OCCO2)c1	ZINC000775227225	668859407	/nfs/dbraw/zinc/85/94/07/668859407.db2.gz	MRKCQYRSAMRZRC-ZDUSSCGKSA-N	-1	0	318.329	0.817	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)N(C)CCC	ZINC000775253716	668860014	/nfs/dbraw/zinc/86/00/14/668860014.db2.gz	DHEYQKHAYOBAJT-UHFFFAOYSA-N	-1	0	313.379	0.963	20	30		DCEDRM
C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776117687	668871189	/nfs/dbraw/zinc/87/11/89/668871189.db2.gz	VOXQSKZFJIEYOR-QWRGUYRKSA-N	-1	0	304.368	0.320	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cs1	ZINC000776122610	668871253	/nfs/dbraw/zinc/87/12/53/668871253.db2.gz	SCSIMMRDLQRFOS-UHFFFAOYSA-N	-1	0	301.349	0.210	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cnn2cccnc12	ZINC000776144028	668871856	/nfs/dbraw/zinc/87/18/56/668871856.db2.gz	WODOPWXTBFTYQH-UHFFFAOYSA-N	-1	0	307.335	0.339	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000780621581	669001535	/nfs/dbraw/zinc/00/15/35/669001535.db2.gz	WAJJYDHRPRVAHQ-LBPRGKRZSA-N	-1	0	324.358	0.562	20	30		DCEDRM
CC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000781601204	669051548	/nfs/dbraw/zinc/05/15/48/669051548.db2.gz	BNCGYZBDJIKOBQ-SNVBAGLBSA-N	-1	0	300.311	0.927	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC000783095342	669143276	/nfs/dbraw/zinc/14/32/76/669143276.db2.gz	HMAXHHHIGOALTN-ZDUSSCGKSA-N	-1	0	321.395	0.614	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000783123308	669144234	/nfs/dbraw/zinc/14/42/34/669144234.db2.gz	GCFHEXCONYNFGZ-YPMHNXCESA-N	-1	0	305.396	0.840	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)CO1	ZINC000784484263	669207375	/nfs/dbraw/zinc/20/73/75/669207375.db2.gz	KFXPOYGQRATPTC-ZWNOBZJWSA-N	-1	0	308.359	0.929	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)CO1	ZINC000784484261	669207787	/nfs/dbraw/zinc/20/77/87/669207787.db2.gz	KFXPOYGQRATPTC-GXFFZTMASA-N	-1	0	308.359	0.929	20	30		DCEDRM
COC[C@@H](C#N)OC(=O)c1ccc(F)cc1[N-]S(C)(=O)=O	ZINC000785189164	669242403	/nfs/dbraw/zinc/24/24/03/669242403.db2.gz	IQKSSHBDHKBDJP-SECBINFHSA-N	-1	0	316.310	0.893	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)Cc1ccccc1C#N)C(=O)[O-]	ZINC000787934754	669413158	/nfs/dbraw/zinc/41/31/58/669413158.db2.gz	PUMSOEHNTAJXJF-GFCCVEGCSA-N	-1	0	310.331	0.410	20	30		DCEDRM
N#Cc1cccc(-c2cc(C(=O)[N-]N3CC(=O)NC3=O)on2)c1	ZINC000789899501	669516150	/nfs/dbraw/zinc/51/61/50/669516150.db2.gz	XAHAKOKJVXPMRY-UHFFFAOYSA-N	-1	0	311.257	0.410	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)c2n[nH]c(C)c2[O-])n1	ZINC000790105259	669537748	/nfs/dbraw/zinc/53/77/48/669537748.db2.gz	VUJRMUWESIMSMP-UHFFFAOYSA-N	-1	0	317.349	0.542	20	30		DCEDRM
C#CCC1(O)CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1	ZINC000882528618	669541564	/nfs/dbraw/zinc/54/15/64/669541564.db2.gz	YNQDHUVSYGRBDZ-UHFFFAOYSA-N	-1	0	320.311	0.820	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnn2)cc1	ZINC000791111627	669594631	/nfs/dbraw/zinc/59/46/31/669594631.db2.gz	VHGGDOFPZZLTKB-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
CN(C)c1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)ccn1	ZINC000793204778	669707366	/nfs/dbraw/zinc/70/73/66/669707366.db2.gz	QEOTURAMYRPLNX-UHFFFAOYSA-N	-1	0	308.363	0.511	20	30		DCEDRM
Cn1cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793213034	669708080	/nfs/dbraw/zinc/70/80/80/669708080.db2.gz	YXIGUFANAVCVDN-UHFFFAOYSA-N	-1	0	312.307	0.297	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)c(C)c1	ZINC000132772411	669746556	/nfs/dbraw/zinc/74/65/56/669746556.db2.gz	IQARVFDEYMOEGN-UHFFFAOYSA-N	-1	0	306.347	0.821	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn(CCC(C)C)nn1	ZINC000158672794	669927988	/nfs/dbraw/zinc/92/79/88/669927988.db2.gz	HCDRFVDDRVHWSU-LBPRGKRZSA-N	-1	0	321.381	0.799	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1ccccc1COC	ZINC000806091058	669941409	/nfs/dbraw/zinc/94/14/09/669941409.db2.gz	AVMQQBWDIWDLJI-UHFFFAOYSA-N	-1	0	313.375	0.982	20	30		DCEDRM
Cn1nncc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F	ZINC000798857563	670027881	/nfs/dbraw/zinc/02/78/81/670027881.db2.gz	CTUPGGIIEYYUFR-SNVBAGLBSA-N	-1	0	319.271	0.732	20	30		DCEDRM
N#CC1CCC(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC000799385763	670057484	/nfs/dbraw/zinc/05/74/84/670057484.db2.gz	DYVGZSYOKWXKNG-UHFFFAOYSA-N	-1	0	314.349	0.517	20	30		DCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cc1C#N	ZINC000799600583	670066547	/nfs/dbraw/zinc/06/65/47/670066547.db2.gz	LUIQMTKPWIVLHC-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C\c1ccccc1C#N	ZINC000800552170	670094673	/nfs/dbraw/zinc/09/46/73/670094673.db2.gz	LXCROGHFGICZOE-SREVYHEPSA-N	-1	0	321.358	0.154	20	30		DCEDRM
C#CCNC(=O)COC(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000801382366	670126755	/nfs/dbraw/zinc/12/67/55/670126755.db2.gz	WAIQPBXTBWHZDA-UHFFFAOYSA-N	-1	0	317.276	0.623	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC	ZINC000802169030	670155576	/nfs/dbraw/zinc/15/55/76/670155576.db2.gz	ZVIJUUUNSXDYRG-MNOVXSKESA-N	-1	0	303.380	0.824	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)c1cn(C)nn1	ZINC000808985486	670433631	/nfs/dbraw/zinc/43/36/31/670433631.db2.gz	ASOZDPQADQOUGG-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000809032229	670438128	/nfs/dbraw/zinc/43/81/28/670438128.db2.gz	WPCADEVFMJJOAC-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000809036309	670438643	/nfs/dbraw/zinc/43/86/43/670438643.db2.gz	VKWSVMJDQPTBHQ-SNVBAGLBSA-N	-1	0	301.368	0.515	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])ccc1C	ZINC000194588110	670442803	/nfs/dbraw/zinc/44/28/03/670442803.db2.gz	UGKCJZOMZLGXOB-LBPRGKRZSA-N	-1	0	305.290	0.988	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)o1	ZINC000809551271	670454600	/nfs/dbraw/zinc/45/46/00/670454600.db2.gz	RSVWCPNIQBOWPY-LBPRGKRZSA-N	-1	0	322.298	0.961	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC000810581552	670490079	/nfs/dbraw/zinc/49/00/79/670490079.db2.gz	UXRKQSNMHJLWMW-UHFFFAOYSA-N	-1	0	314.388	0.701	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C	ZINC000810775174	670496848	/nfs/dbraw/zinc/49/68/48/670496848.db2.gz	YZFLXWQVMKOLGZ-UHFFFAOYSA-N	-1	0	310.331	0.915	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc2c1CC(=O)CC2	ZINC000810774001	670496920	/nfs/dbraw/zinc/49/69/20/670496920.db2.gz	KQPJUQRQTDHOQO-UHFFFAOYSA-N	-1	0	305.355	0.827	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cccnc1	ZINC000810782423	670497833	/nfs/dbraw/zinc/49/78/33/670497833.db2.gz	MBOIMDCOXXBVAG-UHFFFAOYSA-N	-1	0	318.358	0.565	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21	ZINC000810786321	670498067	/nfs/dbraw/zinc/49/80/67/670498067.db2.gz	COZDXDNQGSNKQL-NSHDSACASA-N	-1	0	324.333	0.721	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCCN1C(=O)CC	ZINC000810783660	670498073	/nfs/dbraw/zinc/49/80/73/670498073.db2.gz	YUVKHQCDRWVQCM-LLVKDONJSA-N	-1	0	300.380	0.247	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(N)=O)C2)CC1	ZINC000810983307	670501762	/nfs/dbraw/zinc/50/17/62/670501762.db2.gz	PLGRYSWMWNCXLF-QWRGUYRKSA-N	-1	0	314.407	0.833	20	30		DCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000847648618	670586237	/nfs/dbraw/zinc/58/62/37/670586237.db2.gz	VVRPKLMJOYTHKY-RISCZKNCSA-N	-1	0	322.386	0.972	20	30		DCEDRM
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1cccs1	ZINC000112495661	670608604	/nfs/dbraw/zinc/60/86/04/670608604.db2.gz	JQWADHFSRVBHOS-VIFPVBQESA-N	-1	0	312.372	0.328	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCCC#N)c1	ZINC000813062880	670609154	/nfs/dbraw/zinc/60/91/54/670609154.db2.gz	RGPNBRFVQDCZJI-UHFFFAOYSA-N	-1	0	310.331	0.972	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983247	670667258	/nfs/dbraw/zinc/66/72/58/670667258.db2.gz	NHBKNMURNOSLEV-UHFFFAOYSA-N	-1	0	316.298	0.845	20	30		DCEDRM
COCc1nc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)co1	ZINC000813982573	670667756	/nfs/dbraw/zinc/66/77/56/670667756.db2.gz	NDTCEZWSFYJUGB-UHFFFAOYSA-N	-1	0	322.302	0.206	20	30		DCEDRM
C[C@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981085	670667777	/nfs/dbraw/zinc/66/77/77/670667777.db2.gz	SPBQEAHVGAJGPV-JOYOIKCWSA-N	-1	0	309.347	0.431	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000813987165	670669202	/nfs/dbraw/zinc/66/92/02/670669202.db2.gz	NQRUBDIXOXWYOY-UHFFFAOYSA-N	-1	0	318.358	0.913	20	30		DCEDRM
CCOC(=O)C(C)(C)O[N-]C(=O)CNc1ccc(C#N)cn1	ZINC000855133839	670680710	/nfs/dbraw/zinc/68/07/10/670680710.db2.gz	UZZYONOZOXTLFL-UHFFFAOYSA-N	-1	0	306.322	0.755	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000848609272	670704888	/nfs/dbraw/zinc/70/48/88/670704888.db2.gz	ZJCZWSDJBGEXDJ-NSHDSACASA-N	-1	0	318.329	0.152	20	30		DCEDRM
CC(=NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnnn1C	ZINC000814864760	670706457	/nfs/dbraw/zinc/70/64/57/670706457.db2.gz	IKFSZBSIJPAOAZ-UHFFFAOYSA-N	-1	0	324.322	0.426	20	30		DCEDRM
CC(=NNCC(=O)[O-])c1ccc(N2CCCS2(=O)=O)cc1	ZINC000814956900	670709046	/nfs/dbraw/zinc/70/90/46/670709046.db2.gz	PFNKSSXIKQJVLC-UHFFFAOYSA-N	-1	0	311.363	0.625	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](CCC(N)=O)NC(=O)CCC1CCCC1	ZINC000855606923	670734637	/nfs/dbraw/zinc/73/46/37/670734637.db2.gz	RUIMXFZDMDBECA-CYBMUJFWSA-N	-1	0	323.393	0.388	20	30		DCEDRM
N#Cc1cncc(-c2cn(CC[N-]C(=O)C(F)(F)F)nn2)c1	ZINC000849141410	670760211	/nfs/dbraw/zinc/76/02/11/670760211.db2.gz	VNEYDWCUBIGJQV-UHFFFAOYSA-N	-1	0	310.239	0.890	20	30		DCEDRM
COC(=O)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)n1C	ZINC000815904696	670771208	/nfs/dbraw/zinc/77/12/08/670771208.db2.gz	NMKIFZVXALOHFE-SNVBAGLBSA-N	-1	0	303.318	0.757	20	30		DCEDRM
CCn1nc(C)c(C([O-])=C(C#N)C(=O)NCCCOC(C)C)n1	ZINC000815904493	670771594	/nfs/dbraw/zinc/77/15/94/670771594.db2.gz	HNIIPCVPUKUDRV-GFCCVEGCSA-N	-1	0	321.381	0.860	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)[N-]S(=O)(=O)N2CCCC2)c1	ZINC000815921026	670772072	/nfs/dbraw/zinc/77/20/72/670772072.db2.gz	VHRFCBIFANYGIF-UHFFFAOYSA-N	-1	0	322.390	0.695	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)cc1C(N)=O	ZINC000815946110	670774044	/nfs/dbraw/zinc/77/40/44/670774044.db2.gz	FHHOQJUQLPKBOH-UHFFFAOYSA-N	-1	0	321.358	0.593	20	30		DCEDRM
CCn1nncc1C(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000815949937	670774457	/nfs/dbraw/zinc/77/44/57/670774457.db2.gz	CUBBWEKOMLOLJH-UHFFFAOYSA-N	-1	0	319.346	0.597	20	30		DCEDRM
C=C[C@H](CO)NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O	ZINC000856274869	670800349	/nfs/dbraw/zinc/80/03/49/670800349.db2.gz	FEQOCLOSVVLIIJ-SNVBAGLBSA-N	-1	0	319.386	0.982	20	30		DCEDRM
C#CCCS(=O)(=O)[N-][C@@]1(C(=O)OC(C)(C)C)CCOC1	ZINC000849446933	670801590	/nfs/dbraw/zinc/80/15/90/670801590.db2.gz	FJEHROGWMLWPRV-ZDUSSCGKSA-N	-1	0	303.380	0.430	20	30		DCEDRM
COC[C@@H](OC)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000850197910	670893734	/nfs/dbraw/zinc/89/37/34/670893734.db2.gz	BHLRLPATSSWNQY-MWLCHTKSSA-N	-1	0	312.347	0.832	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)CCN(C)C2=O	ZINC000850477588	670916599	/nfs/dbraw/zinc/91/65/99/670916599.db2.gz	YAPQMFFSLNOINS-SNVBAGLBSA-N	-1	0	317.345	0.876	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OC)c1	ZINC000850478230	670916705	/nfs/dbraw/zinc/91/67/05/670916705.db2.gz	QIWWBEYAEKZDHY-SECBINFHSA-N	-1	0	324.337	0.352	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000850739214	670937524	/nfs/dbraw/zinc/93/75/24/670937524.db2.gz	JFAZPFKZIMICSV-VIFPVBQESA-N	-1	0	321.358	0.926	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C(=O)OC(C)(C)C)C1CC1	ZINC000850913094	670954303	/nfs/dbraw/zinc/95/43/03/670954303.db2.gz	MHHLJCGVHDKPJO-SNVBAGLBSA-N	-1	0	303.380	0.986	20	30		DCEDRM
Cc1ccn([C@@H](C)CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n1	ZINC000850940098	670956305	/nfs/dbraw/zinc/95/63/05/670956305.db2.gz	HVQOVIBSMVMYHM-NSHDSACASA-N	-1	0	310.379	0.892	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C1CCC1	ZINC000850961233	670957984	/nfs/dbraw/zinc/95/79/84/670957984.db2.gz	YIGAOJQTYNBSMY-NSHDSACASA-N	-1	0	300.380	0.941	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12	ZINC000851016614	670961321	/nfs/dbraw/zinc/96/13/21/670961321.db2.gz	YXVVYYUOQFQGGO-AXFHLTTASA-N	-1	0	313.379	0.041	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](OC)[C@@H]2CCOC2)CC1	ZINC000851032556	670963236	/nfs/dbraw/zinc/96/32/36/670963236.db2.gz	UIWCDRIHRBVQSQ-GHMZBOCLSA-N	-1	0	303.380	0.593	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)Cc1cccc2c1OCCO2	ZINC000851052776	670964931	/nfs/dbraw/zinc/96/49/31/670964931.db2.gz	IOJTUGIIHJQODD-SNVBAGLBSA-N	-1	0	324.358	0.954	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851502906	670993916	/nfs/dbraw/zinc/99/39/16/670993916.db2.gz	YBUDGJKONRUIMV-CYBMUJFWSA-N	-1	0	323.411	0.323	20	30		DCEDRM
N#CCN(CC#N)C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC000858978410	671058689	/nfs/dbraw/zinc/05/86/89/671058689.db2.gz	GGJQQWHTDHWANJ-UHFFFAOYSA-N	-1	0	314.223	0.947	20	30		DCEDRM
N#Cc1c(NCC2(C(=O)[O-])CCC2)cccc1S(N)(=O)=O	ZINC000852912664	671193224	/nfs/dbraw/zinc/19/32/24/671193224.db2.gz	DAULXZBTMGVQLO-UHFFFAOYSA-N	-1	0	309.347	0.872	20	30		DCEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000852950742	671199256	/nfs/dbraw/zinc/19/92/56/671199256.db2.gz	MRHJDNCBRLAWRK-JQPIKURYSA-N	-1	0	321.333	0.130	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cn(C2CC2)nn1	ZINC000860461617	671210709	/nfs/dbraw/zinc/21/07/09/671210709.db2.gz	KCPNLTIEZRETPE-NSHDSACASA-N	-1	0	305.338	0.478	20	30		DCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cn2c(n1)COCC2	ZINC000860477623	671212142	/nfs/dbraw/zinc/21/21/42/671212142.db2.gz	KKQWGBPEVPFCSC-LLVKDONJSA-N	-1	0	302.334	0.795	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)nn1	ZINC000820652985	671217670	/nfs/dbraw/zinc/21/76/70/671217670.db2.gz	VCZSFILFTFRQHT-UHFFFAOYSA-N	-1	0	323.378	0.608	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1	ZINC000860631458	671225537	/nfs/dbraw/zinc/22/55/37/671225537.db2.gz	UULJPKNPMARDEM-UHFFFAOYSA-N	-1	0	309.347	0.454	20	30		DCEDRM
CO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000861012999	671259633	/nfs/dbraw/zinc/25/96/33/671259633.db2.gz	AHMQXPUOMFIFBH-QMMMGPOBSA-N	-1	0	300.311	0.678	20	30		DCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CCC#N)NC(=O)C1CCCC1	ZINC000821584324	671284594	/nfs/dbraw/zinc/28/45/94/671284594.db2.gz	YRDSHSQANYUCJL-JTQLQIEISA-N	-1	0	315.395	0.431	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cncnc2)cc1	ZINC000821619890	671286094	/nfs/dbraw/zinc/28/60/94/671286094.db2.gz	QKPYINPBQCREAC-UHFFFAOYSA-N	-1	0	302.315	0.396	20	30		DCEDRM
CN(CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828108469	671544402	/nfs/dbraw/zinc/54/44/02/671544402.db2.gz	RVXCUQLPRVXFFU-CQSZACIVSA-N	-1	0	316.361	0.859	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000831033886	671651126	/nfs/dbraw/zinc/65/11/26/671651126.db2.gz	MLFHXLJROLLQPF-MNOVXSKESA-N	-1	0	318.395	0.339	20	30		DCEDRM
COC(=O)CN(CC#N)CC(=O)Nc1ccsc1C(=O)[O-]	ZINC000831163614	671656797	/nfs/dbraw/zinc/65/67/97/671656797.db2.gz	BUJQWSLSRXSGKT-UHFFFAOYSA-N	-1	0	311.319	0.383	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC(F)(C3CC3)CC2)c(=O)[n-]c1=O	ZINC000834556634	671771208	/nfs/dbraw/zinc/77/12/08/671771208.db2.gz	CFKOLABHJHLXBM-UHFFFAOYSA-N	-1	0	320.324	0.561	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(Br)n(C)n1	ZINC000835253433	671791403	/nfs/dbraw/zinc/79/14/03/671791403.db2.gz	LRDPSRKRXWSOQH-UHFFFAOYSA-N	-1	0	308.157	0.428	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)CCC#N)c1ccc2c(c1)OCO2	ZINC000835409586	671795424	/nfs/dbraw/zinc/79/54/24/671795424.db2.gz	JMINPPBVWQDTII-VIFPVBQESA-N	-1	0	310.331	0.878	20	30		DCEDRM
COc1ncc(C(=O)[N-]S(=O)(=O)CCC#N)cc1Cl	ZINC000835409505	671795649	/nfs/dbraw/zinc/79/56/49/671795649.db2.gz	IJHXCAGODMZWCG-UHFFFAOYSA-N	-1	0	303.727	0.717	20	30		DCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835411868	671795962	/nfs/dbraw/zinc/79/59/62/671795962.db2.gz	PWVBGIBTCLRKDH-SNVBAGLBSA-N	-1	0	307.331	0.685	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1nc(Cl)cs1	ZINC000835765290	671805799	/nfs/dbraw/zinc/80/57/99/671805799.db2.gz	TXCXFVNYJJDSBP-LURJTMIESA-N	-1	0	308.768	0.640	20	30		DCEDRM
CC(C)n1cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)n2C)cn1	ZINC000835825994	671807240	/nfs/dbraw/zinc/80/72/40/671807240.db2.gz	NGTCHKQXJLPIPR-UHFFFAOYSA-N	-1	0	321.362	0.793	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1	ZINC000842330892	672005556	/nfs/dbraw/zinc/00/55/56/672005556.db2.gz	WRHUAZGYDUDMCQ-VHSXEESVSA-N	-1	0	316.379	0.571	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000842510302	672015857	/nfs/dbraw/zinc/01/58/57/672015857.db2.gz	QTTRMQGUSCDPAP-UHFFFAOYSA-N	-1	0	305.334	0.453	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn2c1C[C@@H](C)CC2	ZINC000842684601	672028573	/nfs/dbraw/zinc/02/85/73/672028573.db2.gz	LUHCXOAAZJNDTK-WDEREUQCSA-N	-1	0	304.350	0.550	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC000843045857	672056129	/nfs/dbraw/zinc/05/61/29/672056129.db2.gz	YCWFCDLGELERRP-OLZOCXBDSA-N	-1	0	316.313	0.620	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000844111444	672148837	/nfs/dbraw/zinc/14/88/37/672148837.db2.gz	BKIRDLJVTVMVAL-ZJUUUORDSA-N	-1	0	308.300	0.580	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000844782522	672202269	/nfs/dbraw/zinc/20/22/69/672202269.db2.gz	AYHMAYIEHGDCOM-QMMMGPOBSA-N	-1	0	313.335	0.981	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000844794331	672203107	/nfs/dbraw/zinc/20/31/07/672203107.db2.gz	HCTZYNRXLJEJBF-VXGBXAGGSA-N	-1	0	317.411	0.899	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC000844791753	672203270	/nfs/dbraw/zinc/20/32/70/672203270.db2.gz	BJZRXFZHAULNNA-UHFFFAOYSA-N	-1	0	302.352	0.588	20	30		DCEDRM
C[C@@H]1CCCCN1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844821137	672205262	/nfs/dbraw/zinc/20/52/62/672205262.db2.gz	LCFWJYHHJKBXIZ-GFCCVEGCSA-N	-1	0	314.407	0.906	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1	ZINC000846150731	672297316	/nfs/dbraw/zinc/29/73/16/672297316.db2.gz	NTOWCFXHITWNSU-UHFFFAOYSA-N	-1	0	305.334	0.951	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(NC(=O)COC)cc1	ZINC000846152980	672297896	/nfs/dbraw/zinc/29/78/96/672297896.db2.gz	WGTGFATXTUBZSG-SNVBAGLBSA-N	-1	0	321.333	0.832	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O	ZINC000846155971	672298126	/nfs/dbraw/zinc/29/81/26/672298126.db2.gz	JKNQKTDGUJYAOG-QMMMGPOBSA-N	-1	0	321.308	0.672	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc2c1CCNC2=O	ZINC000846156450	672298349	/nfs/dbraw/zinc/29/83/49/672298349.db2.gz	LSTJZJMQBCSNMT-SECBINFHSA-N	-1	0	303.318	0.533	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@@H](CC)Nc1nnnn1-c1ccccc1	ZINC000846538578	672326354	/nfs/dbraw/zinc/32/63/54/672326354.db2.gz	KBQSAVHTJVTWSS-CYBMUJFWSA-N	-1	0	316.365	0.899	20	30		DCEDRM
C=C(C)CO[N-]C(=O)Cn1c2ccccc2c(=O)n(CC)c1=O	ZINC000846537396	672326397	/nfs/dbraw/zinc/32/63/97/672326397.db2.gz	IQFXXZMJBWPUPE-UHFFFAOYSA-N	-1	0	317.345	0.807	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn2ccccc2n1	ZINC000729068359	685321222	/nfs/dbraw/zinc/32/12/22/685321222.db2.gz	SXHHQRTUGMGZJS-LLVKDONJSA-N	-1	0	300.318	0.809	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000773788759	685337954	/nfs/dbraw/zinc/33/79/54/685337954.db2.gz	XAWQMVNKPNKVOC-UHFFFAOYSA-N	-1	0	311.319	0.988	20	30		DCEDRM
Cn1ncc2c1C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC2	ZINC000798849061	685347910	/nfs/dbraw/zinc/34/79/10/685347910.db2.gz	QAURLNLIRAYDKH-SNVBAGLBSA-N	-1	0	324.406	0.521	20	30		DCEDRM
N#CCN1CCCC[C@@H]1CNC(=O)c1c[n-]n2c1nccc2=O	ZINC001024694542	693818926	/nfs/dbraw/zinc/81/89/26/693818926.db2.gz	JCVVTQSHLNDOOF-LLVKDONJSA-N	-1	0	314.349	0.130	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001039530624	694378552	/nfs/dbraw/zinc/37/85/52/694378552.db2.gz	ZJFFKMSZLFRZLP-GARJFASQSA-N	-1	0	304.354	0.235	20	30		DCEDRM
C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001039530625	694378565	/nfs/dbraw/zinc/37/85/65/694378565.db2.gz	ZJFFKMSZLFRZLP-MXWKQRLJSA-N	-1	0	304.354	0.235	20	30		DCEDRM
C=CCOCC(=O)NCC[C@H](C)NC(=O)c1ncccc1O	ZINC001075917913	694985851	/nfs/dbraw/zinc/98/58/51/694985851.db2.gz	NYCDCWAVPYYUQF-NSHDSACASA-N	-1	0	307.350	0.614	20	30		DCEDRM
C=CCCOCC(=O)NCC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001077063123	695134228	/nfs/dbraw/zinc/13/42/28/695134228.db2.gz	ZPCNKVCRSVBHMO-JTQLQIEISA-N	-1	0	324.381	0.641	20	30		DCEDRM
CC(C)Oc1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1C#N	ZINC001446377754	1159398604	/nfs/dbraw/zinc/39/86/04/1159398604.db2.gz	JZMKACKGKHFYNY-UHFFFAOYSA-N	-1	0	317.305	0.987	20	30		DCEDRM
COC(=O)c1[nH]c(C)c(C(=O)N(CC#N)CCC(=O)[O-])c1C	ZINC001606521252	1159796363	/nfs/dbraw/zinc/79/63/63/1159796363.db2.gz	ABHDXBJPPXTAMH-UHFFFAOYSA-N	-1	0	307.306	0.859	20	30		DCEDRM
C=CCC1(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)CCOCC1	ZINC001567316201	1160311069	/nfs/dbraw/zinc/31/10/69/1160311069.db2.gz	RGPHOXGIMZOQTK-UHFFFAOYSA-N	-1	0	323.397	0.431	20	30		DCEDRM
CC(=O)N1CCC[C@@H]1C(=O)Nc1c(C(=O)[O-])cnn1CCC#N	ZINC001573370532	1163415878	/nfs/dbraw/zinc/41/58/78/1163415878.db2.gz	JQSTZOIUCOTKLL-LLVKDONJSA-N	-1	0	319.321	0.444	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001573379855	1163420356	/nfs/dbraw/zinc/42/03/56/1163420356.db2.gz	ZHZAFYYVKGEPQM-MXWKQRLJSA-N	-1	0	320.349	0.104	20	30		DCEDRM
CN(C(=O)[O-])C1CCN(C(=O)CNc2ccc(C#N)cn2)CC1	ZINC001573852465	1163568614	/nfs/dbraw/zinc/56/86/14/1163568614.db2.gz	MHDIZLDPTZFEDZ-UHFFFAOYSA-N	-1	0	317.349	0.966	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N[C@H](C)c1nc(C(=O)[O-])n[nH]1	ZINC001574012833	1163624258	/nfs/dbraw/zinc/62/42/58/1163624258.db2.gz	WYKWZZAZPBETPB-SSDOTTSWSA-N	-1	0	315.289	0.874	20	30		DCEDRM
COc1cc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)ccc1C#N	ZINC001574012654	1163624473	/nfs/dbraw/zinc/62/44/73/1163624473.db2.gz	NZSMVNRHFWQJDH-VXGBXAGGSA-N	-1	0	319.317	0.267	20	30		DCEDRM
N#CC1(C(=O)Nc2cccn(CC(=O)[O-])c2=O)CCSCC1	ZINC001574242301	1163672577	/nfs/dbraw/zinc/67/25/77/1163672577.db2.gz	UCYTVRQLJOEMCP-UHFFFAOYSA-N	-1	0	321.358	0.908	20	30		DCEDRM
N#C[C@@]12CN(Cc3ccc(C(=O)[O-])[nH]3)C[C@H]1CS(=O)(=O)C2	ZINC001574242137	1163672606	/nfs/dbraw/zinc/67/26/06/1163672606.db2.gz	VWABDEUJHUILCB-ZANVPECISA-N	-1	0	309.347	0.083	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2C[C@H](C(=O)[O-])C3(COC3)C2)s1	ZINC001574245639	1163673432	/nfs/dbraw/zinc/67/34/32/1163673432.db2.gz	UYQKQJWJMYAFEE-LLVKDONJSA-N	-1	0	321.358	0.862	20	30		DCEDRM
N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nc1	ZINC001574248895	1163674883	/nfs/dbraw/zinc/67/48/83/1163674883.db2.gz	AZUVBPDSEKLMLF-QJPTWQEYSA-N	-1	0	301.302	0.654	20	30		DCEDRM
CC(C)OC(=O)[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001574297282	1163688211	/nfs/dbraw/zinc/68/82/11/1163688211.db2.gz	RXZSIWGGIBHSKX-MRVPVSSYSA-N	-1	0	316.325	0.305	20	30		DCEDRM
C[C@@](O)(CNc1cnc(C#N)c(-c2nnn[n-]2)n1)c1ccccc1	ZINC001575471189	1164024409	/nfs/dbraw/zinc/02/44/09/1164024409.db2.gz	FJZYYHXEVBFBLW-OAHLLOKOSA-N	-1	0	322.332	0.848	20	30		DCEDRM
CC[C@@H]1COC(C)(C)CN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001577176360	1164623225	/nfs/dbraw/zinc/62/32/25/1164623225.db2.gz	AAWCFMZNUSIUSW-SECBINFHSA-N	-1	0	314.353	0.922	20	30		DCEDRM
COCC1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1	ZINC001579747004	1165385008	/nfs/dbraw/zinc/38/50/08/1165385008.db2.gz	LTRFGTKSFJCNPD-UHFFFAOYSA-N	-1	0	300.326	0.391	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)c1	ZINC001580768612	1165714217	/nfs/dbraw/zinc/71/42/17/1165714217.db2.gz	FAIGDSJLZDPSPP-SECBINFHSA-N	-1	0	323.320	0.838	20	30		DCEDRM
Cc1cncc(CCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC001581327966	1165813791	/nfs/dbraw/zinc/81/37/91/1165813791.db2.gz	NDTCVOUORYYNOO-UHFFFAOYSA-N	-1	0	323.320	0.736	20	30		DCEDRM
N#Cc1nc(NC(=O)C2(c3ccccn3)CC2)[n-]c1-c1nn[nH]n1	ZINC001581860268	1165893139	/nfs/dbraw/zinc/89/31/39/1165893139.db2.gz	SGECMSGDRZZYQG-UHFFFAOYSA-N	-1	0	321.304	0.527	20	30		DCEDRM
N#Cc1cc(Cl)ccc1Cn1cnc(-c2nnn[n-]2)cc1=O	ZINC001581866883	1165895350	/nfs/dbraw/zinc/89/53/50/1165895350.db2.gz	ZFJSUDJUBOIUFP-UHFFFAOYSA-N	-1	0	313.708	0.997	20	30		DCEDRM
N#Cc1ncc(NCC[C@H](O)C2CCCC2)nc1-c1nnn[n-]1	ZINC001581884148	1165903843	/nfs/dbraw/zinc/90/38/43/1165903843.db2.gz	MTERYNQEUCWNEB-NSHDSACASA-N	-1	0	314.353	0.881	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N[C@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001582425214	1166016918	/nfs/dbraw/zinc/01/69/18/1166016918.db2.gz	QVYCQQAEQNIJRU-GHMZBOCLSA-N	-1	0	324.381	0.639	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(=O)OC	ZINC001588423463	1166552716	/nfs/dbraw/zinc/55/27/16/1166552716.db2.gz	IAZVOFRZOONONB-SSDOTTSWSA-N	-1	0	317.344	0.290	20	30		DCEDRM
C=CCCCC(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1	ZINC001588587525	1166564608	/nfs/dbraw/zinc/56/46/08/1166564608.db2.gz	XBQUHLYZLLEARI-JTQLQIEISA-N	-1	0	316.369	0.352	20	30		DCEDRM
C=CCCCn1c(=O)c(-c2nnn[n-]2)c(C)n(C2CC2)c1=O	ZINC001588603568	1166569164	/nfs/dbraw/zinc/56/91/64/1166569164.db2.gz	PERGYSUGWFSKTC-UHFFFAOYSA-N	-1	0	302.338	0.800	20	30		DCEDRM
C=CCN(CC(=O)OCC)c1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001588628382	1166571283	/nfs/dbraw/zinc/57/12/83/1166571283.db2.gz	WRJUWAGUJWAHNJ-UHFFFAOYSA-N	-1	0	314.309	0.084	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)COc1cccc(-c2nn[nH]n2)c1	ZINC001588728984	1166580985	/nfs/dbraw/zinc/58/09/85/1166580985.db2.gz	ZWZQHFORRFCVHJ-OLZOCXBDSA-N	-1	0	315.333	0.705	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001588727518	1166582589	/nfs/dbraw/zinc/58/25/89/1166582589.db2.gz	CDOAYEHOFBNLME-NEPJUHHUSA-N	-1	0	321.362	0.489	20	30		DCEDRM
CC(=O)c1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)o1	ZINC001588915004	1166615849	/nfs/dbraw/zinc/61/58/49/1166615849.db2.gz	GUVJKDQKSWJFQY-UHFFFAOYSA-N	-1	0	312.249	0.509	20	30		DCEDRM
C[C@H](C[C@H]1CCOC1)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589803602	1166691351	/nfs/dbraw/zinc/69/13/51/1166691351.db2.gz	TXJOFWCAWXHJLC-RKDXNWHRSA-N	-1	0	300.326	0.755	20	30		DCEDRM
CCC(O)(CC)CN(C)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590473843	1166919320	/nfs/dbraw/zinc/91/93/20/1166919320.db2.gz	WFMWWXOYWFZWSW-UHFFFAOYSA-N	-1	0	302.342	0.516	20	30		DCEDRM
CCOC(=O)CCCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590763153	1167010487	/nfs/dbraw/zinc/01/04/87/1167010487.db2.gz	YDBKJOQKNGPAEI-UHFFFAOYSA-N	-1	0	302.298	0.284	20	30		DCEDRM
CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)C1(C#N)CCCCC1	ZINC001590986314	1167065726	/nfs/dbraw/zinc/06/57/26/1167065726.db2.gz	LJMQZUAGSQCRAX-UHFFFAOYSA-N	-1	0	315.341	0.143	20	30		DCEDRM
COC[C@@H]1CCCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001591393488	1167262137	/nfs/dbraw/zinc/26/21/37/1167262137.db2.gz	XRGBZUJSKKIBGU-SNVBAGLBSA-N	-1	0	314.353	0.781	20	30		DCEDRM
COc1ncc(NC(=O)NC[C@H](C)C#N)cc1-c1nn[nH]n1	ZINC001591664406	1167344480	/nfs/dbraw/zinc/34/44/80/1167344480.db2.gz	LWJDCJLKTJKTEW-SSDOTTSWSA-N	-1	0	302.298	0.551	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@@H](C#N)C(C)(C)C	ZINC001591834539	1167390396	/nfs/dbraw/zinc/39/03/96/1167390396.db2.gz	BGQNTBBOMVPEKA-VIFPVBQESA-N	-1	0	315.337	0.944	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1nc(CC2CC2)no1	ZINC001592335932	1167493957	/nfs/dbraw/zinc/49/39/57/1167493957.db2.gz	NMZYZZDDGDPZCD-UHFFFAOYSA-N	-1	0	311.309	0.627	20	30		DCEDRM
N#Cc1ncc(Sc2nnc3ccccn32)nc1-c1nnn[n-]1	ZINC001592708673	1167606117	/nfs/dbraw/zinc/60/61/17/1167606117.db2.gz	IBHYPOCZZMFHQM-UHFFFAOYSA-N	-1	0	322.317	0.722	20	30		DCEDRM
N#Cc1ncc(Sc2nc3c([nH]2)CCC3)nc1-c1nnn[n-]1	ZINC001592708700	1167606655	/nfs/dbraw/zinc/60/66/55/1167606655.db2.gz	JKQJIRVARKITQM-UHFFFAOYSA-N	-1	0	311.334	0.891	20	30		DCEDRM
N#Cc1nc(NCCn2cnc(-c3nnn[n-]3)n2)ccc1Cl	ZINC001592707660	1167607176	/nfs/dbraw/zinc/60/71/76/1167607176.db2.gz	SSHJVURFAAZXEG-UHFFFAOYSA-N	-1	0	316.716	0.490	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](C(=O)[O-])C1	ZINC001598794168	1168035913	/nfs/dbraw/zinc/03/59/13/1168035913.db2.gz	AYIGBNCFNBSUSX-ONGXEEELSA-N	-1	0	305.290	0.365	20	30		DCEDRM
Cc1c(NC(=O)Cn2cnc(C#N)n2)ccc(F)c1C(=O)[O-]	ZINC001600033866	1168106622	/nfs/dbraw/zinc/10/66/22/1168106622.db2.gz	ATYQOYISJPSTGD-UHFFFAOYSA-N	-1	0	303.253	0.934	20	30		DCEDRM
Cc1cc(C#N)nc(NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])n1	ZINC001600075885	1168112388	/nfs/dbraw/zinc/11/23/88/1168112388.db2.gz	RUUDBGGZMHENFW-NSHDSACASA-N	-1	0	305.338	0.684	20	30		DCEDRM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC(O)(CC#N)C1	ZINC001600123394	1168123824	/nfs/dbraw/zinc/12/38/24/1168123824.db2.gz	JTZRBXDYFZJXTM-UHFFFAOYSA-N	-1	0	310.331	0.342	20	30		DCEDRM
Cc1[nH]nc(S(=O)(=O)NCc2ccnc(C#N)c2)c1C(=O)[O-]	ZINC001600673654	1168242493	/nfs/dbraw/zinc/24/24/93/1168242493.db2.gz	LFLUASHRHXITIP-UHFFFAOYSA-N	-1	0	321.318	0.162	20	30		DCEDRM
Cc1nc(C)c(CCC(=O)N(CC#N)CCC(=O)[O-])c(=O)[nH]1	ZINC001600691780	1168252740	/nfs/dbraw/zinc/25/27/40/1168252740.db2.gz	OMLILEHUZAPJSK-UHFFFAOYSA-N	-1	0	306.322	0.559	20	30		DCEDRM
Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001600768531	1168283323	/nfs/dbraw/zinc/28/33/23/1168283323.db2.gz	XHNWZHDMQQCIDA-UHFFFAOYSA-N	-1	0	318.333	0.437	20	30		DCEDRM
Cn1c(NCC2(CC(=O)[O-])CCCC2)c(C#N)c(=O)n(C)c1=O	ZINC001600922041	1168509146	/nfs/dbraw/zinc/50/91/46/1168509146.db2.gz	SVFKHXUTDXDZSR-UHFFFAOYSA-N	-1	0	320.349	0.403	20	30		DCEDRM
Cn1ccnc1COCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001600987378	1168545242	/nfs/dbraw/zinc/54/52/42/1168545242.db2.gz	QDELTUILICOMSS-UHFFFAOYSA-N	-1	0	306.322	0.154	20	30		DCEDRM
Cn1nc(NC(=O)C#Cc2ccc3c(c2)OCO3)cc1C(=O)[O-]	ZINC001601011166	1168561162	/nfs/dbraw/zinc/56/11/62/1168561162.db2.gz	DPIHOLMTPZJYNH-UHFFFAOYSA-N	-1	0	313.269	0.837	20	30		DCEDRM
N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001601047812	1168577133	/nfs/dbraw/zinc/57/71/33/1168577133.db2.gz	YLJUHWSJHVMTTR-UTUOFQBUSA-N	-1	0	308.334	0.776	20	30		DCEDRM
N#CC1(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC2(CC2)C1	ZINC001601050605	1168577618	/nfs/dbraw/zinc/57/76/18/1168577618.db2.gz	WMJFUMWHAFXBTM-SNVBAGLBSA-N	-1	0	315.333	0.834	20	30		DCEDRM
N#CC1(CC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CCCCC1	ZINC001601054506	1168578255	/nfs/dbraw/zinc/57/82/55/1168578255.db2.gz	IRXKGSHIQSCFDX-NSHDSACASA-N	-1	0	305.338	0.712	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1	ZINC001601064489	1168579674	/nfs/dbraw/zinc/57/96/74/1168579674.db2.gz	YWFPEALUMIHJTC-WCQYABFASA-N	-1	0	321.377	0.756	20	30		DCEDRM
N#CCCCCS(=O)(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001601066029	1168580452	/nfs/dbraw/zinc/58/04/52/1168580452.db2.gz	YMMRGALZJCLHOP-MNOVXSKESA-N	-1	0	304.368	0.337	20	30		DCEDRM
N#CCCN1CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1	ZINC001601067734	1168580599	/nfs/dbraw/zinc/58/05/99/1168580599.db2.gz	JVYXLLHVGBWSEL-QWHCGFSZSA-N	-1	0	309.366	0.457	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CC1(Cn2cnnn2)CCCCC1	ZINC001601070148	1168581004	/nfs/dbraw/zinc/58/10/04/1168581004.db2.gz	VPSVYUOAWSYAIR-UHFFFAOYSA-N	-1	0	320.353	0.450	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cncc(N2CCCC2)n1	ZINC001601072471	1168581537	/nfs/dbraw/zinc/58/15/37/1168581537.db2.gz	UORXYWDUZLRQDZ-UHFFFAOYSA-N	-1	0	303.322	0.517	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2CC[NH+](CC(=O)[O-])CC2)cc1	ZINC001601073578	1168581722	/nfs/dbraw/zinc/58/17/22/1168581722.db2.gz	CZELVEPKSPYFBB-UHFFFAOYSA-N	-1	0	317.345	0.360	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1nnc2ccccc2c1O	ZINC001601072683	1168581851	/nfs/dbraw/zinc/58/18/51/1168581851.db2.gz	ZRHLAEBRWACKHC-UHFFFAOYSA-N	-1	0	300.274	0.776	20	30		DCEDRM
N#CCSCC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1	ZINC001601076138	1168582461	/nfs/dbraw/zinc/58/24/61/1168582461.db2.gz	OHHSRLASNYOYQS-UHFFFAOYSA-N	-1	0	300.336	0.110	20	30		DCEDRM
N#Cc1ccc(CCC(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])cc1	ZINC001601099175	1168584602	/nfs/dbraw/zinc/58/46/02/1168584602.db2.gz	HHAATRGPQWIDPY-AWEZNQCLSA-N	-1	0	312.329	0.957	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC001601104947	1168585054	/nfs/dbraw/zinc/58/50/54/1168585054.db2.gz	OJKGJVIJUPEIBD-LLVKDONJSA-N	-1	0	318.289	0.636	20	30		DCEDRM
N#Cc1ccc(COC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)nc1	ZINC001601102680	1168585415	/nfs/dbraw/zinc/58/54/15/1168585415.db2.gz	VYIGVWUWGSGNKH-LBPRGKRZSA-N	-1	0	317.301	0.320	20	30		DCEDRM
N#Cc1ccc(F)c(CNS(=O)(=O)CCCC(=O)[O-])c1	ZINC001601102393	1168585506	/nfs/dbraw/zinc/58/55/06/1168585506.db2.gz	BDATWKWBUAOHSS-UHFFFAOYSA-N	-1	0	300.311	0.982	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NCc2ncc(C(=O)[O-])s2)nc1	ZINC001601108775	1168585973	/nfs/dbraw/zinc/58/59/73/1168585973.db2.gz	VKFWWIRUJATJJK-UHFFFAOYSA-N	-1	0	317.330	0.836	20	30		DCEDRM
N#Cc1cccc([C@@H](C(=O)[O-])N2CCO[C@@H](CC(N)=O)C2)c1	ZINC001601119537	1168587079	/nfs/dbraw/zinc/58/70/79/1168587079.db2.gz	SNIIMINNGYBUFY-JSGCOSHPSA-N	-1	0	303.318	0.260	20	30		DCEDRM
N#Cc1cccc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)c1	ZINC001601116823	1168587180	/nfs/dbraw/zinc/58/71/80/1168587180.db2.gz	PWVSPLMBEWGLRU-LBPRGKRZSA-N	-1	0	302.286	0.791	20	30		DCEDRM
N#Cc1cccc([C@@H](C(=O)[O-])N2CCO[C@H](CC(N)=O)C2)c1	ZINC001601119538	1168587712	/nfs/dbraw/zinc/58/77/12/1168587712.db2.gz	SNIIMINNGYBUFY-OCCSQVGLSA-N	-1	0	303.318	0.260	20	30		DCEDRM
N#Cc1ccccc1N1CCN(C(=O)NC[C@H](F)C(=O)[O-])CC1	ZINC001601125325	1168588314	/nfs/dbraw/zinc/58/83/14/1168588314.db2.gz	JLDPFDZQPPIHNN-LBPRGKRZSA-N	-1	0	320.324	0.813	20	30		DCEDRM
N#Cc1ccnc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])c1	ZINC001601127198	1168589735	/nfs/dbraw/zinc/58/97/35/1168589735.db2.gz	FMVFMGWNEIOSBO-JTQLQIEISA-N	-1	0	305.290	0.289	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)c1cncc(C(=O)[O-])c1	ZINC001601128857	1168589892	/nfs/dbraw/zinc/58/98/92/1168589892.db2.gz	YRWNRMOSPHAEJM-UHFFFAOYSA-N	-1	0	311.301	0.888	20	30		DCEDRM
N#Cc1ccncc1N1CCN(Cn2cnc(C(=O)[O-])n2)CC1	ZINC001601128366	1168590352	/nfs/dbraw/zinc/59/03/52/1168590352.db2.gz	KPLJLQGJCBPJEB-UHFFFAOYSA-N	-1	0	313.321	0.023	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c1	ZINC001601130161	1168591267	/nfs/dbraw/zinc/59/12/67/1168591267.db2.gz	AIUJTSFWWMWKAA-WFFHOREQSA-N	-1	0	321.358	0.731	20	30		DCEDRM
NC(=NO[C@@H]1CCCN(CCC(=O)[O-])C1=O)c1cccs1	ZINC001601136269	1168593869	/nfs/dbraw/zinc/59/38/69/1168593869.db2.gz	BRZUCDYSDKHLGA-SECBINFHSA-N	-1	0	311.363	0.851	20	30		DCEDRM
O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC001601760426	1168858306	/nfs/dbraw/zinc/85/83/06/1168858306.db2.gz	MIPIFPMHYJDQCE-RYUDHWBXSA-N	-1	0	317.297	0.061	20	30		DCEDRM
O=C([O-])c1nccc(N2CCN(C(=O)C#CC3CC3)CC2)n1	ZINC001602572530	1169121395	/nfs/dbraw/zinc/12/13/95/1169121395.db2.gz	YAXXAEDVYXUOPK-UHFFFAOYSA-N	-1	0	300.318	0.237	20	30		DCEDRM
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC001602631477	1169136025	/nfs/dbraw/zinc/13/60/25/1169136025.db2.gz	LOFQQOJZAISVQN-ZYHUDNBSSA-N	-1	0	308.334	0.754	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001602670824	1169155536	/nfs/dbraw/zinc/15/55/36/1169155536.db2.gz	IZFCPXDOARMNJF-QMMMGPOBSA-N	-1	0	323.374	0.972	20	30		DCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001602670823	1169155772	/nfs/dbraw/zinc/15/57/72/1169155772.db2.gz	IZFCPXDOARMNJF-MRVPVSSYSA-N	-1	0	323.374	0.972	20	30		DCEDRM
C#CCCCCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001602675894	1169156714	/nfs/dbraw/zinc/15/67/14/1169156714.db2.gz	ZWLUAKDGPQMHHU-UHFFFAOYSA-N	-1	0	301.364	0.186	20	30		DCEDRM
C#CC1(O)CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC1	ZINC001602677032	1169157003	/nfs/dbraw/zinc/15/70/03/1169157003.db2.gz	PGQJAFPPUWUQGZ-UHFFFAOYSA-N	-1	0	302.330	0.783	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C1CCOCC1	ZINC001602678272	1169157017	/nfs/dbraw/zinc/15/70/17/1169157017.db2.gz	KYRWRSUFFSBFRK-LBPRGKRZSA-N	-1	0	315.391	0.589	20	30		DCEDRM
C#CC1(O)CCN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)CC1	ZINC001602677490	1169157336	/nfs/dbraw/zinc/15/73/36/1169157336.db2.gz	ZHOXKLXSAIXBLD-UHFFFAOYSA-N	-1	0	315.391	0.421	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1cc(OC)c(O)c(OC)c1)C(=O)[O-]	ZINC001602687076	1169158245	/nfs/dbraw/zinc/15/82/45/1169158245.db2.gz	HHJYZMSWFFQBTD-JTQLQIEISA-N	-1	0	307.302	0.545	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC001602682696	1169158473	/nfs/dbraw/zinc/15/84/73/1169158473.db2.gz	CRASCSQVXSCWST-ZETCQYMHSA-N	-1	0	319.285	0.326	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1	ZINC001602683125	1169158501	/nfs/dbraw/zinc/15/85/01/1169158501.db2.gz	ITFLXCYDTUAXRH-SECBINFHSA-N	-1	0	302.290	0.767	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001602683537	1169158648	/nfs/dbraw/zinc/15/86/48/1169158648.db2.gz	RCMZFEKAOBADKN-VIFPVBQESA-N	-1	0	310.331	0.539	20	30		DCEDRM
C#C[C@@H]1CCCCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001602696239	1169162415	/nfs/dbraw/zinc/16/24/15/1169162415.db2.gz	GEDTURQBOMQWAP-SNVBAGLBSA-N	-1	0	318.362	0.438	20	30		DCEDRM
C#CC[C@H](NC(=O)c1c(C)nn(C)c1-n1cccn1)C(=O)[O-]	ZINC001602692883	1169163006	/nfs/dbraw/zinc/16/30/06/1169163006.db2.gz	XHWDRTZTVJCUDY-JTQLQIEISA-N	-1	0	301.306	0.121	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C(=O)[O-]	ZINC001602698709	1169164627	/nfs/dbraw/zinc/16/46/27/1169164627.db2.gz	SCVKZOQBBTWJFN-NTCNTBNZSA-N	-1	0	310.397	0.194	20	30		DCEDRM
C#CCN(CC(=O)N[C@H](COC)C(=O)[O-])C(=O)OC(C)(C)C	ZINC001602715314	1169168660	/nfs/dbraw/zinc/16/86/60/1169168660.db2.gz	CFJCXDAALNUVAR-SNVBAGLBSA-N	-1	0	314.338	0.073	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001602728373	1169174213	/nfs/dbraw/zinc/17/42/13/1169174213.db2.gz	SPWVOMJUDZPQLC-NEPJUHHUSA-N	-1	0	303.380	0.541	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001602745018	1169178347	/nfs/dbraw/zinc/17/83/47/1169178347.db2.gz	XMBHKFBZZNTIBI-OBPIAQAESA-N	-1	0	320.389	0.882	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(N)=O)oc1C)C(=O)[O-]	ZINC001602756966	1169179116	/nfs/dbraw/zinc/17/91/16/1169179116.db2.gz	CIXNNUGTVVIJQX-MRVPVSSYSA-N	-1	0	316.335	0.385	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cnn(CCOC)c1)C(=O)[O-]	ZINC001602756986	1169179179	/nfs/dbraw/zinc/17/91/79/1169179179.db2.gz	COZUKJPHAVQPPY-NSHDSACASA-N	-1	0	317.367	0.227	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001602837448	1169190964	/nfs/dbraw/zinc/19/09/64/1169190964.db2.gz	UKAXQGVYFCXFTB-VIFPVBQESA-N	-1	0	308.338	0.834	20	30		DCEDRM
C=CCN(C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)[C@H](C)COC	ZINC001602886943	1169198611	/nfs/dbraw/zinc/19/86/11/1169198611.db2.gz	DENRYBHLJJIGNW-SNVBAGLBSA-N	-1	0	323.349	0.711	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccnc(-c2ncc[nH]2)c1)C(=O)[O-]	ZINC001602913034	1169203172	/nfs/dbraw/zinc/20/31/72/1169203172.db2.gz	GYEFHZOKNTWRFZ-GFCCVEGCSA-N	-1	0	316.317	0.857	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc21)C(=O)[O-]	ZINC001602913411	1169204958	/nfs/dbraw/zinc/20/49/58/1169204958.db2.gz	PPTFSNRPSFFOQA-LLVKDONJSA-N	-1	0	317.301	0.721	20	30		DCEDRM
C=CCn1c(-c2cocn2)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001602930884	1169210271	/nfs/dbraw/zinc/21/02/71/1169210271.db2.gz	HHLQJYALSRRSHK-ONGXEEELSA-N	-1	0	319.321	0.797	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O	ZINC001602942276	1169213871	/nfs/dbraw/zinc/21/38/71/1169213871.db2.gz	YMHSAHGLFHKZFK-YFKTTZPYSA-N	-1	0	308.334	0.705	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[nH]n2)C1	ZINC001602983924	1169223004	/nfs/dbraw/zinc/22/30/04/1169223004.db2.gz	OKYNLYJXZVRCFZ-BBBLOLIVSA-N	-1	0	312.337	0.480	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCc2c(sc(N)c2-c2nn[nH]n2)C1	ZINC001602981236	1169224415	/nfs/dbraw/zinc/22/44/15/1169224415.db2.gz	BRNLCVHMNNPLLI-ZCFIWIBFSA-N	-1	0	303.351	0.555	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1c1ncc(C(=O)[O-])cn1	ZINC001603129383	1169250169	/nfs/dbraw/zinc/25/01/69/1169250169.db2.gz	FJRVALYOIBRFEG-CMPLNLGQSA-N	-1	0	317.349	0.810	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@H]21	ZINC001603129156	1169250312	/nfs/dbraw/zinc/25/03/12/1169250312.db2.gz	AORIGNQPYUCLCX-HKWIRBFKSA-N	-1	0	315.333	0.133	20	30		DCEDRM
C[C@H](C#N)C(=O)NC1(CNc2ccnc(C(=O)[O-])n2)CCCC1	ZINC001603130675	1169250540	/nfs/dbraw/zinc/25/05/40/1169250540.db2.gz	ZGPKFFFBVCEISA-SNVBAGLBSA-N	-1	0	317.349	0.597	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC1(CNc2ccnc(C(=O)[O-])n2)CCCC1	ZINC001603130665	1169251139	/nfs/dbraw/zinc/25/11/39/1169251139.db2.gz	ZGPKFFFBVCEISA-JTQLQIEISA-N	-1	0	317.349	0.597	20	30		DCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC(O)(C(=O)[O-])C1	ZINC001603692369	1169354082	/nfs/dbraw/zinc/35/40/82/1169354082.db2.gz	FVRVUEVPFXQTCR-UHFFFAOYSA-N	-1	0	304.302	0.374	20	30		DCEDRM
CC(C)N1CC[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1=O	ZINC001603888244	1169423196	/nfs/dbraw/zinc/42/31/96/1169423196.db2.gz	PGNKSNVZBAICKW-NSHDSACASA-N	-1	0	322.365	0.396	20	30		DCEDRM
CCC(CC)[C@H](O)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001604023691	1169474697	/nfs/dbraw/zinc/47/46/97/1169474697.db2.gz	YRAUDPWPTCGMSX-SNVBAGLBSA-N	-1	0	302.342	0.737	20	30		DCEDRM
C[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001604059267	1169481981	/nfs/dbraw/zinc/48/19/81/1169481981.db2.gz	CRSFLDIDIOINCC-VIFPVBQESA-N	-1	0	305.290	0.507	20	30		DCEDRM
CCC[C@@H](OCC)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001604150585	1169507660	/nfs/dbraw/zinc/50/76/60/1169507660.db2.gz	BATPUUFTOTUCLH-MRVPVSSYSA-N	-1	0	304.314	0.605	20	30		DCEDRM
CCC[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCO1	ZINC001604152678	1169508245	/nfs/dbraw/zinc/50/82/45/1169508245.db2.gz	NDGUWQYTTADGNZ-SECBINFHSA-N	-1	0	300.326	0.534	20	30		DCEDRM
C[C@@H](OC(=O)c1c[nH]c(C#N)c1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001604407057	1169584436	/nfs/dbraw/zinc/58/44/36/1169584436.db2.gz	IBLTVHZRLIFSHN-SECBINFHSA-N	-1	0	319.317	0.755	20	30		DCEDRM
CC1(C#N)CCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)CC1	ZINC001604482692	1169599973	/nfs/dbraw/zinc/59/99/73/1169599973.db2.gz	KOAAGHNBQUBHCN-LBPRGKRZSA-N	-1	0	321.377	0.756	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C1	ZINC001604489618	1169603474	/nfs/dbraw/zinc/60/34/74/1169603474.db2.gz	IQTFBAVJNLMCBM-KBPBESRZSA-N	-1	0	311.313	0.164	20	30		DCEDRM
CC1(C)COC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001604552562	1169615606	/nfs/dbraw/zinc/61/56/06/1169615606.db2.gz	IJAYBIQFUWGCRE-GFCCVEGCSA-N	-1	0	324.358	0.960	20	30		DCEDRM
CN(C)c1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)ccn1	ZINC001604698373	1169658423	/nfs/dbraw/zinc/65/84/23/1169658423.db2.gz	MKEWIHHROVNGMZ-UHFFFAOYSA-N	-1	0	324.308	0.175	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2cncc(C(=O)[O-])c2)C[C@H](C)N1CC#N	ZINC001604782449	1169678684	/nfs/dbraw/zinc/67/86/84/1169678684.db2.gz	CLBRSRZYOSMXCE-PHIMTYICSA-N	-1	0	302.334	0.838	20	30		DCEDRM
COC1(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCC1	ZINC001605015526	1169781070	/nfs/dbraw/zinc/78/10/70/1169781070.db2.gz	DBRDHYNXUSHTDP-UHFFFAOYSA-N	-1	0	302.298	0.359	20	30		DCEDRM
CCN(CCC#N)C(=O)CN1CCCC[C@]1(COC)C(=O)[O-]	ZINC001605438375	1169920190	/nfs/dbraw/zinc/92/01/90/1169920190.db2.gz	ZJNSSVVHRPEMIV-HNNXBMFYSA-N	-1	0	311.382	0.704	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(C[C@@H]2CCCC[C@H]2C(=O)[O-])c1=O	ZINC001605915731	1170027109	/nfs/dbraw/zinc/02/71/09/1170027109.db2.gz	WNZAKXRNPYELGK-CMPLNLGQSA-N	-1	0	305.334	0.793	20	30		DCEDRM
Cc1nc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)c(C)s1	ZINC001606044381	1170063835	/nfs/dbraw/zinc/06/38/35/1170063835.db2.gz	FQPUIFBIKHESQF-UHFFFAOYSA-N	-1	0	301.339	0.639	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC001606344049	1170163239	/nfs/dbraw/zinc/16/32/39/1170163239.db2.gz	WLXFRIRIEYWSBI-SMDDNHRTSA-N	-1	0	316.296	0.364	20	30		DCEDRM
N#Cc1ncc(NCCO[C@H]2CCCCO2)nc1-c1nnn[n-]1	ZINC001606398040	1170182950	/nfs/dbraw/zinc/18/29/50/1170182950.db2.gz	IQPDMTGPIFMBDT-NSHDSACASA-N	-1	0	316.325	0.483	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)Nc2cccc(C#N)n2)C[C@@H]1C(=O)[O-]	ZINC001606421807	1170193899	/nfs/dbraw/zinc/19/38/99/1170193899.db2.gz	LGYRQTUSJPRKQK-UWVGGRQHSA-N	-1	0	318.289	0.291	20	30		DCEDRM
COCC#CC(=O)N[C@@](C)(Cn1cnc2ccccc21)C(=O)[O-]	ZINC001606770361	1170282749	/nfs/dbraw/zinc/28/27/49/1170282749.db2.gz	MMWYFHMTIHMORA-INIZCTEOSA-N	-1	0	315.329	0.646	20	30		DCEDRM
COCCN(Cc1cccc(C(=O)[O-])c1C#N)[C@@H](C)C(N)=O	ZINC001606891382	1170324759	/nfs/dbraw/zinc/32/47/59/1170324759.db2.gz	JIRQVSBRSINTOY-JTQLQIEISA-N	-1	0	305.334	0.579	20	30		DCEDRM
COCCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001606928086	1170331425	/nfs/dbraw/zinc/33/14/25/1170331425.db2.gz	RXUIPPZEJYGYIU-IMSIIYSGSA-N	-1	0	323.328	0.555	20	30		DCEDRM
COc1cc(C(=O)[O-])cc(NC(=O)C(=O)NCCC#N)c1OC	ZINC001607087226	1170386782	/nfs/dbraw/zinc/38/67/82/1170386782.db2.gz	DUGBVUAVXLXLKD-UHFFFAOYSA-N	-1	0	321.289	0.370	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001607838483	1170512261	/nfs/dbraw/zinc/51/22/61/1170512261.db2.gz	LJCUNQWQLVORSY-NEPJUHHUSA-N	-1	0	324.358	0.465	20	30		DCEDRM
Cc1nc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)ccc1C#N	ZINC001607949556	1170531814	/nfs/dbraw/zinc/53/18/14/1170531814.db2.gz	RCVHFGFMBFLMFI-LBPRGKRZSA-N	-1	0	317.301	0.494	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(CN2C[C@@H]3CCCCN3C2=O)CC1	ZINC001608174795	1170609555	/nfs/dbraw/zinc/60/95/55/1170609555.db2.gz	YJLQPVWDMNWJQK-LBPRGKRZSA-N	-1	0	306.366	0.924	20	30		DCEDRM
N#CCCCNC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001608181187	1170610374	/nfs/dbraw/zinc/61/03/74/1170610374.db2.gz	DBXOHMKSFGWEKX-UHFFFAOYSA-N	-1	0	306.326	0.627	20	30		DCEDRM
N#CCCCCS(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC001608181672	1170611485	/nfs/dbraw/zinc/61/14/85/1170611485.db2.gz	PIPIMDXHOFPBGN-MNOVXSKESA-N	-1	0	304.368	0.622	20	30		DCEDRM
N#CCC1(O)CN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1	ZINC001608181968	1170611849	/nfs/dbraw/zinc/61/18/49/1170611849.db2.gz	QRAWVSFYEZZSHC-UHFFFAOYSA-N	-1	0	314.301	0.494	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC001608189161	1170612411	/nfs/dbraw/zinc/61/24/11/1170612411.db2.gz	FRHIFJTZYQFCDN-UHFFFAOYSA-N	-1	0	302.330	0.733	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@@H](C(=O)[O-])c2ccccn2)cc1	ZINC001608202171	1170614938	/nfs/dbraw/zinc/61/49/38/1170614938.db2.gz	MFKZYRNJTQNYPB-KGLIPLIRSA-N	-1	0	311.297	0.929	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)NCCC(=O)NCCC(=O)[O-])c1	ZINC001608207021	1170616168	/nfs/dbraw/zinc/61/61/68/1170616168.db2.gz	UMFLATBNLGRMPW-UHFFFAOYSA-N	-1	0	307.281	0.408	20	30		DCEDRM
N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])c1	ZINC001608217677	1170617193	/nfs/dbraw/zinc/61/71/93/1170617193.db2.gz	ODISMFIBRHWAMU-CYBMUJFWSA-N	-1	0	315.329	0.640	20	30		DCEDRM
N#Cc1cccc([C@@H](NCc2nnnn2CC2CC2)C(=O)[O-])c1	ZINC001608216253	1170617220	/nfs/dbraw/zinc/61/72/20/1170617220.db2.gz	XULIHCQEIHURGP-CQSZACIVSA-N	-1	0	312.333	0.870	20	30		DCEDRM
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)NCCCC(=O)[O-]	ZINC001608213498	1170617606	/nfs/dbraw/zinc/61/76/06/1170617606.db2.gz	OCSLRVPLNXMGLZ-ZDUSSCGKSA-N	-1	0	315.329	0.643	20	30		DCEDRM
N#Cc1cnc(Cl)c(CN2CC(n3cc(C(=O)[O-])nn3)C2)c1	ZINC001608222612	1170618526	/nfs/dbraw/zinc/61/85/26/1170618526.db2.gz	FQYKDDGJJVGCJZ-UHFFFAOYSA-N	-1	0	318.724	0.953	20	30		DCEDRM
N#Cc1ccccc1OC[C@H](O)CN1CCOC[C@H]1C(=O)[O-]	ZINC001608219341	1170618596	/nfs/dbraw/zinc/61/85/96/1170618596.db2.gz	QQSBLLKAVDZVOM-OLZOCXBDSA-N	-1	0	306.318	0.083	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCN(c2ncccn2)CC1	ZINC001608223433	1170619266	/nfs/dbraw/zinc/61/92/66/1170619266.db2.gz	CHZMDKZVCPBZRE-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCC[C@H](N2CCNC2=O)C1	ZINC001608223599	1170619620	/nfs/dbraw/zinc/61/96/20/1170619620.db2.gz	GEIBJQGKCLDXIA-JTQLQIEISA-N	-1	0	315.333	0.645	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)n1	ZINC001608225182	1170619837	/nfs/dbraw/zinc/61/98/37/1170619837.db2.gz	IXSJAEWVCRQNNQ-UHFFFAOYSA-N	-1	0	310.273	0.968	20	30		DCEDRM
C=CCC1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCC1	ZINC001609054094	1170793833	/nfs/dbraw/zinc/79/38/33/1170793833.db2.gz	YVNCZXWBIPRPDH-UHFFFAOYSA-N	-1	0	302.342	0.321	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])[C@@H]1CCCO1	ZINC001609057609	1170794774	/nfs/dbraw/zinc/79/47/74/1170794774.db2.gz	ATBOIUYVXDNVBW-MROQNXINSA-N	-1	0	315.391	0.730	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(=O)Nc1cc(OC)ccc1OC)C(=O)[O-]	ZINC001609076670	1170800182	/nfs/dbraw/zinc/80/01/82/1170800182.db2.gz	UAOMVMALSKMFBZ-SNVBAGLBSA-N	-1	0	320.301	0.235	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001609076610	1170800398	/nfs/dbraw/zinc/80/03/98/1170800398.db2.gz	RGIGTXVFEDXCRV-SNVBAGLBSA-N	-1	0	306.318	0.267	20	30		DCEDRM
C#CC[C@@H](NC(=O)CN1C(=O)c2ccc(C)cc2C1=O)C(=O)[O-]	ZINC001609078895	1170802144	/nfs/dbraw/zinc/80/21/44/1170802144.db2.gz	NYUZYAMGCFKRAI-GFCCVEGCSA-N	-1	0	314.297	0.184	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1	ZINC001609162108	1170834989	/nfs/dbraw/zinc/83/49/89/1170834989.db2.gz	FMKJTZUVLDDJQC-SECBINFHSA-N	-1	0	301.302	0.916	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCO[C@H](CNC(=O)OC(C)(C)C)C1	ZINC001609264324	1170903557	/nfs/dbraw/zinc/90/35/57/1170903557.db2.gz	LKQPAYNAWMBKSM-GHMZBOCLSA-N	-1	0	300.355	0.851	20	30		DCEDRM
C=CCC(F)(F)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001609320672	1170934572	/nfs/dbraw/zinc/93/45/72/1170934572.db2.gz	WLVPVKHIYMXGMR-UHFFFAOYSA-N	-1	0	311.306	0.346	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001609379563	1170957139	/nfs/dbraw/zinc/95/71/39/1170957139.db2.gz	ORVRFZGOZBLGEQ-SECBINFHSA-N	-1	0	323.320	0.838	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1[nH]nc(CC)c1[N+](=O)[O-])C(=O)[O-]	ZINC001609442945	1170979648	/nfs/dbraw/zinc/97/96/48/1170979648.db2.gz	LZVPAFKCBZTYAX-MRVPVSSYSA-N	-1	0	312.282	0.266	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(-n2cccn2)nc1)C(=O)[O-]	ZINC001609443022	1170979737	/nfs/dbraw/zinc/97/97/37/1170979737.db2.gz	OXRMNDTXIQGFKY-LBPRGKRZSA-N	-1	0	316.317	0.653	20	30		DCEDRM
Cn1cc(Cl)cc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001609479277	1170991367	/nfs/dbraw/zinc/99/13/67/1170991367.db2.gz	CXRYGYIZRFQVRB-UHFFFAOYSA-N	-1	0	317.700	0.706	20	30		DCEDRM
C=CCn1cc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)nn1	ZINC001609485376	1170995328	/nfs/dbraw/zinc/99/53/28/1170995328.db2.gz	OOBWBYCYJLNOQH-UHFFFAOYSA-N	-1	0	315.333	0.976	20	30		DCEDRM
CC#CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001609488500	1170995851	/nfs/dbraw/zinc/99/58/51/1170995851.db2.gz	BQIMAUIYWUSZIT-UHFFFAOYSA-N	-1	0	312.303	0.985	20	30		DCEDRM
N#CCN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1	ZINC001609495522	1170998109	/nfs/dbraw/zinc/99/81/09/1170998109.db2.gz	URQZMPXRMZSWRJ-UHFFFAOYSA-N	-1	0	309.293	0.015	20	30		DCEDRM
CC(C)S(=O)(=O)c1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC001609715240	1171072683	/nfs/dbraw/zinc/07/26/83/1171072683.db2.gz	FEJVFAHFZICGDJ-UHFFFAOYSA-N	-1	0	324.358	0.919	20	30		DCEDRM
CC(C)[C@H](NC(=O)COC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC001609717252	1171074584	/nfs/dbraw/zinc/07/45/84/1171074584.db2.gz	NVJYMRQVLJXOML-ZDUSSCGKSA-N	-1	0	304.302	0.940	20	30		DCEDRM
CN1CCN(S(=O)(=O)c2ccccc2C#N)C[C@H](C(=O)[O-])C1	ZINC001610137795	1171171922	/nfs/dbraw/zinc/17/19/22/1171171922.db2.gz	IHMFMYSJOSGWEQ-GFCCVEGCSA-N	-1	0	323.374	0.195	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC001610617890	1171270260	/nfs/dbraw/zinc/27/02/60/1171270260.db2.gz	OXOGVUVTYMXCAF-UHFFFAOYSA-N	-1	0	319.342	0.826	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)c[nH]1	ZINC001610625733	1171271080	/nfs/dbraw/zinc/27/10/80/1171271080.db2.gz	YOFOCLJSZVRUBE-UHFFFAOYSA-N	-1	0	314.305	0.653	20	30		DCEDRM
N#CCN1CCN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1	ZINC001610622647	1171271250	/nfs/dbraw/zinc/27/12/50/1171271250.db2.gz	DNDHMZZSJXSHNN-NWDGAFQWSA-N	-1	0	315.395	0.101	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001610623164	1171271484	/nfs/dbraw/zinc/27/14/84/1171271484.db2.gz	JQFXONNUHSKMQR-CQSZACIVSA-N	-1	0	318.329	0.887	20	30		DCEDRM
N#CCNC(=O)CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC001610622968	1171271553	/nfs/dbraw/zinc/27/15/53/1171271553.db2.gz	NNQBBBWZBQAJSZ-UHFFFAOYSA-N	-1	0	315.289	0.627	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(O[C@H]2CCOC2)cc1	ZINC001610622426	1171271618	/nfs/dbraw/zinc/27/16/18/1171271618.db2.gz	IQQSTZSFNZLDRH-ZDUSSCGKSA-N	-1	0	304.302	0.905	20	30		DCEDRM
N#CCN(CCCON1C(=O)c2ccccc2C1=O)CC(=O)[O-]	ZINC001610622849	1171271652	/nfs/dbraw/zinc/27/16/52/1171271652.db2.gz	KIFPRKILEWKICB-UHFFFAOYSA-N	-1	0	317.301	0.514	20	30		DCEDRM
N#CCn1cc(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)cn1	ZINC001610623262	1171271682	/nfs/dbraw/zinc/27/16/82/1171271682.db2.gz	KTUZXWIPIMIQKI-UHFFFAOYSA-N	-1	0	312.351	0.793	20	30		DCEDRM
N#Cc1ccccc1OCCN1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC001610633027	1171273722	/nfs/dbraw/zinc/27/37/22/1171273722.db2.gz	SGGWDWRSMKBVDO-LBPRGKRZSA-N	-1	0	303.318	0.212	20	30		DCEDRM
Cc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c(C)cc1O	ZINC001611226290	1171354017	/nfs/dbraw/zinc/35/40/17/1171354017.db2.gz	UQEXGGFCQIHDIX-UHFFFAOYSA-N	-1	0	314.301	0.782	20	30		DCEDRM
CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnn[n-]1	ZINC001626985504	1171494571	/nfs/dbraw/zinc/49/45/71/1171494571.db2.gz	VQFOSUQDZIVGGU-VIFPVBQESA-N	-1	0	308.342	0.123	20	30		DCEDRM
CC(C)(C)[C@H](C#N)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001626972724	1171494693	/nfs/dbraw/zinc/49/46/93/1171494693.db2.gz	LGTSZGLPIQOHTJ-NSHDSACASA-N	-1	0	315.333	0.934	20	30		DCEDRM
CC1(C)C[C@]1(C#N)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001628881279	1171537916	/nfs/dbraw/zinc/53/79/16/1171537916.db2.gz	SVROERLZWZQQCR-OAHLLOKOSA-N	-1	0	313.317	0.688	20	30		DCEDRM
C#Cc1cccc(N(C)C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001632698310	1171622850	/nfs/dbraw/zinc/62/28/50/1171622850.db2.gz	QYIMIMXGMUTMGL-UHFFFAOYSA-N	-1	0	322.324	0.855	20	30		DCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1nn(-c2ccccc2)cc1[O-]	ZINC001636352871	1171733807	/nfs/dbraw/zinc/73/38/07/1171733807.db2.gz	OGMMJINTMJEJHY-JTQLQIEISA-N	-1	0	302.290	0.298	20	30		DCEDRM
CN1C(=O)CN([N-]C(=O)C(F)(F)c2ccccc2C#N)C1=O	ZINC001636526009	1171740787	/nfs/dbraw/zinc/74/07/87/1171740787.db2.gz	QHZBXRTXWOZDHW-UHFFFAOYSA-N	-1	0	308.244	0.575	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001637333624	1171762996	/nfs/dbraw/zinc/76/29/96/1171762996.db2.gz	AHOUAUMAVOUOCW-AULYBMBSSA-N	-1	0	314.345	0.519	20	30		DCEDRM
COc1ccc(O)c([C@@H](C)Nc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001639439877	1171836624	/nfs/dbraw/zinc/83/66/24/1171836624.db2.gz	CKMYBXJKQBIUJG-MRVPVSSYSA-N	-1	0	316.317	0.833	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2cnn(-c3ccccn3)c2)c(C#N)c1=O	ZINC001639513753	1171839839	/nfs/dbraw/zinc/83/98/39/1171839839.db2.gz	YFURNNBJNFNONL-UHFFFAOYSA-N	-1	0	309.289	0.270	20	30		DCEDRM
Cc1nc2ccccc2n1CCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001641994007	1171934748	/nfs/dbraw/zinc/93/47/48/1171934748.db2.gz	OFOSMKWNAPOQPV-UHFFFAOYSA-N	-1	0	324.344	0.716	20	30		DCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)NCc1nc([O-])cc(=O)[nH]1	ZINC001642456304	1171946272	/nfs/dbraw/zinc/94/62/72/1171946272.db2.gz	KKYYRTRFLSIRFH-UHFFFAOYSA-N	-1	0	313.269	0.284	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)nn1	ZINC001645346824	1172039659	/nfs/dbraw/zinc/03/96/59/1172039659.db2.gz	ZEGNVIJIECVBQJ-LLVKDONJSA-N	-1	0	316.369	0.462	20	30		DCEDRM
Cc1ncncc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC001647073134	1172657935	/nfs/dbraw/zinc/65/79/35/1172657935.db2.gz	RGKAUQRJVCFMLV-UHFFFAOYSA-N	-1	0	302.315	0.775	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@]1(F)CCOC1)cc2=O	ZINC001647187954	1172729845	/nfs/dbraw/zinc/72/98/45/1172729845.db2.gz	DKJYQQZKYKIWDW-ZDUSSCGKSA-N	-1	0	306.253	0.478	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@@]1(F)CCOC1)cc2=O	ZINC001647187938	1172729978	/nfs/dbraw/zinc/72/99/78/1172729978.db2.gz	DKJYQQZKYKIWDW-CYBMUJFWSA-N	-1	0	306.253	0.478	20	30		DCEDRM
C[C@H]1CSCCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001647464617	1172911136	/nfs/dbraw/zinc/91/11/36/1172911136.db2.gz	IQENESLPPDCUME-VIFPVBQESA-N	-1	0	308.363	0.175	20	30		DCEDRM
COc1ccc(F)cc1CCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001647630108	1173006147	/nfs/dbraw/zinc/00/61/47/1173006147.db2.gz	NAFFAKIHHKNWOB-UHFFFAOYSA-N	-1	0	318.308	0.748	20	30		DCEDRM
CC1=C(C(=O)[N-]Oc2cccc(C#N)c2)S(=O)(=O)CCO1	ZINC001648729198	1173079905	/nfs/dbraw/zinc/07/99/05/1173079905.db2.gz	BXZIAXMFFMRMPK-UHFFFAOYSA-N	-1	0	308.315	0.645	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2C[C@@H](C)OC2=O)cc1C#N	ZINC001649868602	1173272532	/nfs/dbraw/zinc/27/25/32/1173272532.db2.gz	MXKIUYGFWFXWHV-HZGVNTEJSA-N	-1	0	307.331	0.815	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2nc3ccccc3o2)c(C#N)c1=O	ZINC001651903619	1173757908	/nfs/dbraw/zinc/75/79/08/1173757908.db2.gz	VDZKEWHGBODKHE-UHFFFAOYSA-N	-1	0	311.301	0.741	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2cc(F)cc([N+](=O)[O-])c2)c(C#N)c1=O	ZINC001655293170	1173817649	/nfs/dbraw/zinc/81/76/49/1173817649.db2.gz	CWMHJAWOLQRTHR-UHFFFAOYSA-N	-1	0	306.209	0.785	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001673043988	1175168787	/nfs/dbraw/zinc/16/87/87/1175168787.db2.gz	HBRDQOWRIRDHNN-NSHDSACASA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001689297114	1176804084	/nfs/dbraw/zinc/80/40/84/1176804084.db2.gz	GGJZHWIXLJJUCX-NFAHFFEMSA-N	-1	0	322.365	0.153	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001690381584	1177231099	/nfs/dbraw/zinc/23/10/99/1177231099.db2.gz	QOKBUYFZGJGTAJ-LBPRGKRZSA-N	-1	0	319.409	0.888	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001692287931	1177474953	/nfs/dbraw/zinc/47/49/53/1177474953.db2.gz	CPNJPHAKWGPVLU-JTQLQIEISA-N	-1	0	309.370	0.040	20	30		DCEDRM
C=CCOCC(=O)N(C)C[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001702457020	1179202974	/nfs/dbraw/zinc/20/29/74/1179202974.db2.gz	BRKPWKJFIJEMIE-LLVKDONJSA-N	-1	0	322.365	0.299	20	30		DCEDRM
C=CCOCC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001704081740	1179882610	/nfs/dbraw/zinc/88/26/10/1179882610.db2.gz	XVXZGFXHBSWJRY-LLVKDONJSA-N	-1	0	322.365	0.205	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001704523722	1180040483	/nfs/dbraw/zinc/04/04/83/1180040483.db2.gz	UHVUFGCPUSTNQN-UHFFFAOYSA-N	-1	0	306.366	0.967	20	30		DCEDRM
C=CCCC(=O)N1CC[C@@](O)(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001705469632	1180393602	/nfs/dbraw/zinc/39/36/02/1180393602.db2.gz	ZFHKFWBDFSAUJI-OAHLLOKOSA-N	-1	0	322.365	0.083	20	30		DCEDRM
CC#CCCCC(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001707053373	1180404053	/nfs/dbraw/zinc/40/40/53/1180404053.db2.gz	YRGGQTRODCFJBJ-GFCCVEGCSA-N	-1	0	305.382	0.737	20	30		DCEDRM
CCN(CC#N)CCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001707473617	1180530226	/nfs/dbraw/zinc/53/02/26/1180530226.db2.gz	RCLQHHJPMQTAGF-UHFFFAOYSA-N	-1	0	303.322	0.894	20	30		DCEDRM
C=CCNC(=O)CN1CC(CNC(=O)c2ccccc2O)C1	ZINC001714956953	1181616174	/nfs/dbraw/zinc/61/61/74/1181616174.db2.gz	QWQCXNSJCQROML-UHFFFAOYSA-N	-1	0	303.362	0.356	20	30		DCEDRM
C#CCCCC(=O)NCCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001720472764	1183619865	/nfs/dbraw/zinc/61/98/65/1183619865.db2.gz	XEFFKYNMIRSAOX-UHFFFAOYSA-N	-1	0	306.366	0.806	20	30		DCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000170550687	1183668765	/nfs/dbraw/zinc/66/87/65/1183668765.db2.gz	REFRYTVHXKHRQZ-UHFFFAOYSA-N	-1	0	319.302	0.527	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCNC(=O)C#CC(C)(C)C)c1[O-]	ZINC001721077971	1183821683	/nfs/dbraw/zinc/82/16/83/1183821683.db2.gz	OKURUQNLCVWSDL-UHFFFAOYSA-N	-1	0	306.366	0.661	20	30		DCEDRM
C#CCCCCCC(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001721336891	1183897926	/nfs/dbraw/zinc/89/79/26/1183897926.db2.gz	XBIBBARHNUKQFD-UHFFFAOYSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C	ZINC001725621334	1184915832	/nfs/dbraw/zinc/91/58/32/1184915832.db2.gz	JNTVGHKEAFRHTM-NWDGAFQWSA-N	-1	0	305.382	0.783	20	30		DCEDRM
C=CCC(CC=C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001732152580	1185704397	/nfs/dbraw/zinc/70/43/97/1185704397.db2.gz	IBLSTFABZGTLJT-LBPRGKRZSA-N	-1	0	305.382	0.969	20	30		DCEDRM
C[C@@H](NC(=O)C#CC(C)(C)C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001734113855	1186550299	/nfs/dbraw/zinc/55/02/99/1186550299.db2.gz	FLJZDGVXJMINHK-SNVBAGLBSA-N	-1	0	305.382	0.496	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CC(CNC(=O)C#CC3CC3)C2)c1[O-]	ZINC001734669916	1186718929	/nfs/dbraw/zinc/71/89/29/1186718929.db2.gz	GGBYQTNKXWUMKV-UHFFFAOYSA-N	-1	0	316.361	0.462	20	30		DCEDRM
C=CCCCC(=O)N[C@H](C)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001734722509	1186731765	/nfs/dbraw/zinc/73/17/65/1186731765.db2.gz	ZMCGLNVNSPNZNK-BDAKNGLRSA-N	-1	0	323.353	0.262	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001735254270	1186838654	/nfs/dbraw/zinc/83/86/54/1186838654.db2.gz	NCRAVJAIIYIGIR-ZUZCIYMTSA-N	-1	0	324.381	0.233	20	30		DCEDRM
C#CCCCCCC(=O)NC1CN(C(=O)c2cnc[nH]c2=O)C1	ZINC001738019893	1187449438	/nfs/dbraw/zinc/44/94/38/1187449438.db2.gz	JZUMWGVZBPCYTA-UHFFFAOYSA-N	-1	0	316.361	0.707	20	30		DCEDRM
Cn1[nH]c(C[NH2+]C2(CNC(=O)C#CC3CC3)CCCC2)nc1=O	ZINC001753663974	1188636932	/nfs/dbraw/zinc/63/69/32/1188636932.db2.gz	MXVCLKSZQUVFLP-UHFFFAOYSA-N	-1	0	317.393	0.040	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C#CC(C)C)c1[O-]	ZINC001759273968	1190151599	/nfs/dbraw/zinc/15/15/99/1190151599.db2.gz	VKGYLJQBVQRFCS-RYUDHWBXSA-N	-1	0	316.361	0.508	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c(C#N)c1=O	ZINC001772116381	1190611168	/nfs/dbraw/zinc/61/11/68/1190611168.db2.gz	YXNBIUDDPIRDSZ-MRVWCRGKSA-N	-1	0	308.341	0.943	20	30		DCEDRM
C=C(Br)CN1CC[C@@H](N(C)C(=O)CNC(=O)[O-])C1	ZINC001573313102	962726701	/nfs/dbraw/zinc/72/67/01/962726701.db2.gz	BKTPFDSQZWLDPW-SECBINFHSA-N	-1	0	320.187	0.695	20	30		DCEDRM
C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001089665651	751511907	/nfs/dbraw/zinc/51/19/07/751511907.db2.gz	ZHUWPWRUTHOZQM-JTQLQIEISA-N	-1	0	321.381	0.689	20	30		DCEDRM
CSc1nc(OC2CN(CCC#N)C2)c([N+](=O)[O-])c(=O)[n-]1	ZINC001227629589	749272619	/nfs/dbraw/zinc/27/26/19/749272619.db2.gz	WLKSHXBJXVIKRP-UHFFFAOYSA-N	-1	0	311.323	0.789	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(CC)cnn1	ZINC001229056450	749631250	/nfs/dbraw/zinc/63/12/50/749631250.db2.gz	PKLKOYWXWKCUGL-LLVKDONJSA-N	-1	0	302.352	0.877	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001108119514	754335085	/nfs/dbraw/zinc/33/50/85/754335085.db2.gz	OJOVIADZQJQNSP-OAHLLOKOSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=CCCC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])CCO1	ZINC001065048830	755660063	/nfs/dbraw/zinc/66/00/63/755660063.db2.gz	SGPAOCMGUQWIEG-NSHDSACASA-N	-1	0	322.365	0.347	20	30		DCEDRM
C=CC[C@@H](NC(=O)NC[C@@]1(OC(C)C)CCOC1)C(=O)[O-]	ZINC001119559682	757998021	/nfs/dbraw/zinc/99/80/21/757998021.db2.gz	MYDMYLPHUUBLFX-RISCZKNCSA-N	-1	0	300.355	0.899	20	30		DCEDRM
CN(C[C@H]1CCN1CC#N)C(=O)c1cnc(C2CC2)[nH]c1=O	ZINC001085859810	759402389	/nfs/dbraw/zinc/40/23/89/759402389.db2.gz	JPCDRMLXZPDLNC-LLVKDONJSA-N	-1	0	301.350	0.729	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)c1[O-]	ZINC001058328839	759894989	/nfs/dbraw/zinc/89/49/89/759894989.db2.gz	YOLLBZUNZAYSBS-SECBINFHSA-N	-1	0	313.321	0.094	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC001066475427	759975508	/nfs/dbraw/zinc/97/55/08/759975508.db2.gz	OPSNWDDVNCEKIG-MWLCHTKSSA-N	-1	0	319.365	0.694	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1cnc(N)nc1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170746786	765474046	/nfs/dbraw/zinc/47/40/46/765474046.db2.gz	FVQSBTAQOMWMRK-AMIZOPFISA-N	-1	0	323.378	0.024	20	30		DCEDRM
COC(=O)c1nc(=N[C@H](C)CN(C)C(=O)C#CC2CC2)cc[n-]1	ZINC001115714485	765803039	/nfs/dbraw/zinc/80/30/39/765803039.db2.gz	JWWQBGLRNLJCPM-LLVKDONJSA-N	-1	0	316.361	0.357	20	30		DCEDRM
CSCCO[N-]C(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC001116881866	765923070	/nfs/dbraw/zinc/92/30/70/765923070.db2.gz	GTXGVUDTOJGQCP-UHFFFAOYSA-N	-1	0	311.367	0.455	20	30		DCEDRM
C=CC[C@H](NC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-]	ZINC001116887873	765924414	/nfs/dbraw/zinc/92/44/14/765924414.db2.gz	LZPIDDYELALDNW-VWYCJHECSA-N	-1	0	318.395	0.671	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c[nH]c(Br)c1	ZINC001117678303	766125440	/nfs/dbraw/zinc/12/54/40/766125440.db2.gz	ARSHNBICNQOGDN-UHFFFAOYSA-N	-1	0	305.153	0.860	20	30		DCEDRM
N#C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccc(Cl)cc1	ZINC001136630433	766384794	/nfs/dbraw/zinc/38/47/94/766384794.db2.gz	QIJNZVBSEWDWGN-VIFPVBQESA-N	-1	0	307.697	0.724	20	30		DCEDRM
C#Cc1cncc(C(=O)NCc2c(C)nn(CC(=O)[O-])c2C)c1	ZINC001119643662	766759718	/nfs/dbraw/zinc/75/97/18/766759718.db2.gz	FNJPALWKBNAGQG-UHFFFAOYSA-N	-1	0	312.329	0.891	20	30		DCEDRM
C[C@H](CN(C)C(=O)c1cnc[nH]c1=O)Nc1ccc(C#N)nn1	ZINC001120253179	766948359	/nfs/dbraw/zinc/94/83/59/766948359.db2.gz	PRKKJCLHUSPNQT-SECBINFHSA-N	-1	0	313.321	0.416	20	30		DCEDRM
COCC#CC(=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1	ZINC001138098498	768397380	/nfs/dbraw/zinc/39/73/80/768397380.db2.gz	SYNYCBWHOFVUEY-GFCCVEGCSA-N	-1	0	323.715	0.848	20	30		DCEDRM
COC(CN(CCCO)C(=O)c1[n-]c(=O)c(C#N)cc1C)OC	ZINC001138432911	768414860	/nfs/dbraw/zinc/41/48/60/768414860.db2.gz	WQLGXRCWYNVLKE-UHFFFAOYSA-N	-1	0	323.349	0.411	20	30		DCEDRM
COc1cccc(CN2CCOC[C@@H]2C#N)c1OCC(=O)[O-]	ZINC001139270158	768465662	/nfs/dbraw/zinc/46/56/62/768465662.db2.gz	VMBNVRZQOOFVSQ-LBPRGKRZSA-N	-1	0	306.318	0.883	20	30		DCEDRM
N#C[C@@H](CO)NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-]	ZINC001140739293	768543783	/nfs/dbraw/zinc/54/37/83/768543783.db2.gz	GYDGRMNCYGVVAR-VIFPVBQESA-N	-1	0	306.709	0.846	20	30		DCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1nn(-c2cccc(F)c2)cc1[O-]	ZINC001141380521	768578046	/nfs/dbraw/zinc/57/80/46/768578046.db2.gz	SIJUONUCWYHQFU-JTQLQIEISA-N	-1	0	320.280	0.437	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)c2c[n-]ncc2=O)c1	ZINC001141896541	768598514	/nfs/dbraw/zinc/59/85/14/768598514.db2.gz	IPZPPAUOWDEGSS-UHFFFAOYSA-N	-1	0	310.313	0.874	20	30		DCEDRM
COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C2(C#N)CC2)cc1	ZINC001143181224	768693172	/nfs/dbraw/zinc/69/31/72/768693172.db2.gz	CKDONXBGIIMKKG-UHFFFAOYSA-N	-1	0	323.330	0.974	20	30		DCEDRM
Cn1ccc2c1cccc2NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001143222209	768696540	/nfs/dbraw/zinc/69/65/40/768696540.db2.gz	AJKGEMQGTAPHNZ-UHFFFAOYSA-N	-1	0	323.312	0.951	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCNc2ncccc2C#N)c1[O-]	ZINC001094389585	769024881	/nfs/dbraw/zinc/02/48/81/769024881.db2.gz	JYGJAKSUMYJEMU-UHFFFAOYSA-N	-1	0	300.322	0.922	20	30		DCEDRM
N#Cc1cc(Nc2ccc(S(=O)(=O)[N-]C(N)=O)cc2)ccn1	ZINC001206633274	769051958	/nfs/dbraw/zinc/05/19/58/769051958.db2.gz	HILYAIYLVWFFTI-UHFFFAOYSA-N	-1	0	317.330	0.476	20	30		DCEDRM
C=CC[C@@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)c1ccccc1	ZINC001234377061	769640524	/nfs/dbraw/zinc/64/05/24/769640524.db2.gz	XCKMZHBSBJQWOK-SNVBAGLBSA-N	-1	0	300.266	0.405	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc2n[nH]cc2n1	ZINC001234658648	769717991	/nfs/dbraw/zinc/71/79/91/769717991.db2.gz	HEZAIXVBWIMCRO-SECBINFHSA-N	-1	0	313.335	0.796	20	30		DCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)NC1(c2nnn[n-]2)CCC1	ZINC001153872095	769976707	/nfs/dbraw/zinc/97/67/07/769976707.db2.gz	KCUUMGZVOZVRRF-UHFFFAOYSA-N	-1	0	311.301	0.476	20	30		DCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)C#Cc1ccc(OC)cc1	ZINC001182048461	771398716	/nfs/dbraw/zinc/39/87/16/771398716.db2.gz	MWIRZVKFVFOHAH-ZDUSSCGKSA-N	-1	0	319.313	0.569	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc(O)c(F)c2F)c(=O)[n-]c1=O	ZINC001157811359	771675730	/nfs/dbraw/zinc/67/57/30/771675730.db2.gz	CBIQKQMXBBNPMC-UHFFFAOYSA-N	-1	0	322.227	0.443	20	30		DCEDRM
CN(CC(=O)Nc1ccsc1C#N)C(N)=[NH+]P(=O)([O-])[O-]	ZINC001185653019	771940628	/nfs/dbraw/zinc/94/06/28/771940628.db2.gz	BGRYVHAEAMRADU-UHFFFAOYSA-N	-1	0	317.267	0.107	20	30		DCEDRM
N#Cc1ccnnc1NC(=O)c1ccccc1S(=O)(=O)[O-]	ZINC001189680055	772511840	/nfs/dbraw/zinc/51/18/40/772511840.db2.gz	XWBMUENCXUOGJJ-UHFFFAOYSA-N	-1	0	304.287	0.847	20	30		DCEDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C)c2C#N)cc1	ZINC001191579560	772785494	/nfs/dbraw/zinc/78/54/94/772785494.db2.gz	OWKPKLVYBYFXLJ-UHFFFAOYSA-N	-1	0	319.346	0.452	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1nccnc1-c1ccnc(Cl)n1	ZINC001192951892	772977859	/nfs/dbraw/zinc/97/78/59/772977859.db2.gz	SLOBRRGOUYOQIJ-UHFFFAOYSA-N	-1	0	310.726	0.852	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)c(F)c1	ZINC001193150498	773018376	/nfs/dbraw/zinc/01/83/76/773018376.db2.gz	GPOZYCVBLUNWDJ-ZETCQYMHSA-N	-1	0	306.340	0.883	20	30		DCEDRM
COCC#CCN1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001206874050	773116901	/nfs/dbraw/zinc/11/69/01/773116901.db2.gz	BTLXVBLFTAKINL-ZYHUDNBSSA-N	-1	0	306.366	0.124	20	30		DCEDRM
Cn1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c(=O)n(C)c1=O	ZINC001195542104	773432163	/nfs/dbraw/zinc/43/21/63/773432163.db2.gz	KKXDCGBKMCJMNU-UHFFFAOYSA-N	-1	0	318.264	0.053	20	30		DCEDRM
COC(=O)C[C@H]1CN(C(=O)c2ccc(C#N)cc2[O-])CCO1	ZINC001195740613	773474357	/nfs/dbraw/zinc/47/43/57/773474357.db2.gz	BGVYEHMJQJVMGJ-NSHDSACASA-N	-1	0	304.302	0.668	20	30		DCEDRM
N#Cc1ccc(Cl)cc1S(=O)(=O)NCS(=O)(=O)[O-]	ZINC001196702046	773632980	/nfs/dbraw/zinc/63/29/80/773632980.db2.gz	QCALULZUGSTYQA-UHFFFAOYSA-N	-1	0	310.740	0.335	20	30		DCEDRM
Cc1ncc(NS(=O)(=O)c2cc(Cl)ccc2C#N)c(=O)[nH]1	ZINC001196711289	773634956	/nfs/dbraw/zinc/63/49/56/773634956.db2.gz	JMVGRNTZOMBGOO-JTQLQIEISA-N	-1	0	324.749	0.888	20	30		DCEDRM
COc1ncnc([N-]S(=O)(=O)Cc2ccccn2)c1C#N	ZINC001197790537	773800698	/nfs/dbraw/zinc/80/06/98/773800698.db2.gz	WKUJMAQAORIZAA-UHFFFAOYSA-N	-1	0	305.319	0.694	20	30		DCEDRM
Cc1ncc(S(=O)(=O)[N-]c2c(C#N)cnc3ccnn32)n1C	ZINC001198356706	773915324	/nfs/dbraw/zinc/91/53/24/773915324.db2.gz	YTZIGZYHRBGNRE-UHFFFAOYSA-N	-1	0	317.334	0.444	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2ccnc(C#N)c2)c1	ZINC001201842380	774564779	/nfs/dbraw/zinc/56/47/79/774564779.db2.gz	SXOSIEPIQZPNGK-UHFFFAOYSA-N	-1	0	318.314	0.358	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2nnccc2C#N)c1	ZINC001201843358	774565033	/nfs/dbraw/zinc/56/50/33/774565033.db2.gz	OOKMYUXNOVVUOZ-UHFFFAOYSA-N	-1	0	319.302	0.331	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])O/C(=N\O)c1ccccn1	ZINC001223976666	775529069	/nfs/dbraw/zinc/52/90/69/775529069.db2.gz	XMAOAZGEECCXEW-XUXSRRMHSA-N	-1	0	316.335	0.693	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cnc(Cl)nc1	ZINC001225375786	775671945	/nfs/dbraw/zinc/67/19/45/775671945.db2.gz	QKUGKPOIHQCPPP-SECBINFHSA-N	-1	0	308.743	0.968	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](Oc2c([O-])c(=O)c2=O)[C@H](C#N)C1	ZINC001226602205	775844205	/nfs/dbraw/zinc/84/42/05/775844205.db2.gz	KARUQZKJKDJOMT-SFYZADRCSA-N	-1	0	308.290	0.126	20	30		DCEDRM
C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1nc(O)cc(=O)[n-]1	ZINC001228389125	776077684	/nfs/dbraw/zinc/07/76/84/776077684.db2.gz	RMCPGINJPDJDJW-SECBINFHSA-N	-1	0	324.289	0.484	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc2c[nH]nc2cn1	ZINC001229236848	776172094	/nfs/dbraw/zinc/17/20/94/776172094.db2.gz	YGQQDZIZKSRTBK-SNVBAGLBSA-N	-1	0	313.335	0.796	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCOCCF)c(C(=O)[O-])c1	ZINC001601111601	1168586814	/nfs/dbraw/zinc/58/68/14/1168586814.db2.gz	KAWVZEHOCSTHEL-UHFFFAOYSA-N	-1	0	316.310	0.521	20	30		DCEDRM
C=CCOCCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001481700804	940051643	/nfs/dbraw/zinc/05/16/43/940051643.db2.gz	VMMURLYMOLSXJB-LLVKDONJSA-N	-1	0	309.370	0.184	20	30		DCEDRM
CCN(C(=O)C#CC(C)(C)C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001481766113	940127778	/nfs/dbraw/zinc/12/77/78/940127778.db2.gz	CKMLTLUVJHGGAY-LBPRGKRZSA-N	-1	0	319.409	0.983	20	30		DCEDRM
CCCN(CC#N)CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001317546302	940330881	/nfs/dbraw/zinc/33/08/81/940330881.db2.gz	PHZNFTHFYQQIIU-UHFFFAOYSA-N	-1	0	322.331	0.795	20	30		DCEDRM
C#CCN1C(=O)COCC12CN(C(=O)c1ccc([S-])cc1)C2	ZINC001269964565	940807665	/nfs/dbraw/zinc/80/76/65/940807665.db2.gz	XFGJKVJTBCVREP-UHFFFAOYSA-N	-1	0	316.382	0.662	20	30		DCEDRM
C=CCN1CC[C@]2(CCN(C(=O)c3cnc[nH]c3=O)C2)C1=O	ZINC001271630397	941413413	/nfs/dbraw/zinc/41/34/13/941413413.db2.gz	MTHQPOITILUJLJ-OAHLLOKOSA-N	-1	0	302.334	0.433	20	30		DCEDRM
C#CCN1CCC2(CCN(C(=O)c3cnc[nH]c3=O)CC2)C1=O	ZINC001271630124	941413422	/nfs/dbraw/zinc/41/34/22/941413422.db2.gz	LEZDHXOWLQNMSQ-UHFFFAOYSA-N	-1	0	314.345	0.270	20	30		DCEDRM
C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2cnc[nH]c2=O)C1=O	ZINC001271630408	941413482	/nfs/dbraw/zinc/41/34/82/941413482.db2.gz	MXCMUAHHBXVHQL-INIZCTEOSA-N	-1	0	316.361	0.965	20	30		DCEDRM
C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1cnc[nH]c1=O)CC2	ZINC001271630727	941413497	/nfs/dbraw/zinc/41/34/97/941413497.db2.gz	QZPSCUCMOCETHM-GFCCVEGCSA-N	-1	0	316.361	0.727	20	30		DCEDRM
C=C(C)CN1CC[C@@]2(CCN(C(=O)c3cnc[nH]c3=O)C2)C1=O	ZINC001271630435	941413555	/nfs/dbraw/zinc/41/35/55/941413555.db2.gz	NZJGJAQDJIOETR-INIZCTEOSA-N	-1	0	316.361	0.823	20	30		DCEDRM
C=CCN1C(=O)COCC12CN(C(=O)c1cccc(F)c1[O-])C2	ZINC001272234044	941859511	/nfs/dbraw/zinc/85/95/11/941859511.db2.gz	LRAZLVAZANBCGC-UHFFFAOYSA-N	-1	0	320.320	0.771	20	30		DCEDRM
C=CCN1CC2(CN(C(=O)c3cccc(F)c3[O-])C2)OCC1=O	ZINC001272235246	941862467	/nfs/dbraw/zinc/86/24/67/941862467.db2.gz	XFWHKGXCIAXDCI-UHFFFAOYSA-N	-1	0	320.320	0.771	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](CO)c2c(F)cccc2F)c(C#N)c1=O	ZINC001412870020	942117076	/nfs/dbraw/zinc/11/70/76/942117076.db2.gz	OQLJXEJOQSIEDU-SNVBAGLBSA-N	-1	0	322.271	0.369	20	30		DCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC001413180315	942545171	/nfs/dbraw/zinc/54/51/71/942545171.db2.gz	IUMFYSPZIHNKKM-LBPRGKRZSA-N	-1	0	311.301	0.575	20	30		DCEDRM
CCc1ccnc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001413310179	942621126	/nfs/dbraw/zinc/62/11/26/942621126.db2.gz	UFGSATAOAGCZHY-UHFFFAOYSA-N	-1	0	313.317	0.208	20	30		DCEDRM
C#CCN1CC[C@@]2(CCCN(C(=O)c3cc(=O)[nH][n-]3)CC2)C1=O	ZINC001272282799	942660495	/nfs/dbraw/zinc/66/04/95/942660495.db2.gz	KHYIFTAEGFLODW-INIZCTEOSA-N	-1	0	316.361	0.593	20	30		DCEDRM
N#CCC(=O)N1CCN(CCOc2ccccc2C(=O)[O-])CC1	ZINC001601061034	970926145	/nfs/dbraw/zinc/92/61/45/970926145.db2.gz	QGVJJJXBZZWQQH-UHFFFAOYSA-N	-1	0	317.345	0.821	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](c2nncn2C)C1	ZINC001413510255	943033159	/nfs/dbraw/zinc/03/31/59/943033159.db2.gz	VSGAZQHIBMARLL-JTQLQIEISA-N	-1	0	312.333	0.726	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC3(C2)SCC[C@@H]3C(N)=O)c([O-])c1	ZINC001276865078	944334579	/nfs/dbraw/zinc/33/45/79/944334579.db2.gz	PXIMINFTNQQKSY-LLVKDONJSA-N	-1	0	317.370	0.697	20	30		DCEDRM
C=CCCCC(=O)N(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001486941276	945417596	/nfs/dbraw/zinc/41/75/96/945417596.db2.gz	YITFSIFEJDBYKX-SECBINFHSA-N	-1	0	323.353	0.216	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc21)C(=O)[O-]	ZINC001321338116	946282838	/nfs/dbraw/zinc/28/28/38/946282838.db2.gz	FVZRAFMYGOLZQR-LLVKDONJSA-N	-1	0	301.302	0.693	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NC[C@H]2C=CCC2)c(=O)[n-]c1=O	ZINC001254695446	946423361	/nfs/dbraw/zinc/42/33/61/946423361.db2.gz	QKTJQJUCVRXBFT-JTQLQIEISA-N	-1	0	303.322	0.086	20	30		DCEDRM
C#C[C@@](C)(CC)[NH2+]Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC001573281189	946675229	/nfs/dbraw/zinc/67/52/29/946675229.db2.gz	VXFCECRQZYEBKG-AWEZNQCLSA-N	-1	0	312.337	0.507	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1cnc2scc(C)n2c1=O)C(=O)[O-]	ZINC001322599793	946740332	/nfs/dbraw/zinc/74/03/32/946740332.db2.gz	LBFZGDYYWNBNGZ-SECBINFHSA-N	-1	0	307.331	0.824	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cn2cc(C)ccc2n1	ZINC001602685901	971284223	/nfs/dbraw/zinc/28/42/23/971284223.db2.gz	KJYUIFHHEBXRJM-UHFFFAOYSA-N	-1	0	300.318	0.872	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(C(=O)N(C)C)cc1	ZINC001602686161	971285942	/nfs/dbraw/zinc/28/59/42/971285942.db2.gz	SMYOTDAUYYQHKU-UHFFFAOYSA-N	-1	0	317.345	0.618	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccnn1C1CCOCC1	ZINC001602688521	971291010	/nfs/dbraw/zinc/29/10/10/971291010.db2.gz	OEFBVXQTMAEHDS-UHFFFAOYSA-N	-1	0	306.322	0.786	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(C)nn(C)c1-n1cccn1	ZINC001602691325	971294715	/nfs/dbraw/zinc/29/47/15/971294715.db2.gz	HKUJVVJATZSGRW-UHFFFAOYSA-N	-1	0	301.306	0.074	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(F)c(F)c(C#N)c1F	ZINC001259027410	946901081	/nfs/dbraw/zinc/90/10/81/946901081.db2.gz	WNBCVZSTGFEBFJ-UHFFFAOYSA-N	-1	0	308.237	0.890	20	30		DCEDRM
C[C@H]1CN(O)C(=O)[C@H]1NS(=O)(=O)c1cc(F)c(F)cc1F	ZINC001259043764	946907211	/nfs/dbraw/zinc/90/72/11/946907211.db2.gz	AZOXSYWWZAUPLY-RRAGMBSWSA-N	-1	0	324.280	0.618	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccn(CC(F)(F)F)c1=O	ZINC001602692515	971303238	/nfs/dbraw/zinc/30/32/38/971303238.db2.gz	RSGVLXXUMGIYBG-UHFFFAOYSA-N	-1	0	316.235	0.571	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2c(cnn2C)c1OC	ZINC001602692768	971305247	/nfs/dbraw/zinc/30/52/47/971305247.db2.gz	ZYHDTKZOBZQVGY-UHFFFAOYSA-N	-1	0	302.290	0.137	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCCCOC1CCCCC1	ZINC001602695547	971309165	/nfs/dbraw/zinc/30/91/65/971309165.db2.gz	JEWUJGUYPLSSQJ-UHFFFAOYSA-N	-1	0	310.394	0.862	20	30		DCEDRM
Cn1ccc(S(=O)(=O)[N-]c2nc(C#N)c(C#N)nc2Cl)n1	ZINC001259938072	947027234	/nfs/dbraw/zinc/02/72/34/947027234.db2.gz	FRZWGMZBMQEGKZ-UHFFFAOYSA-N	-1	0	323.725	0.408	20	30		DCEDRM
Cn1ncc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1C(N)=O	ZINC001260038224	947051380	/nfs/dbraw/zinc/05/13/80/947051380.db2.gz	UPYLJLWOWVLHNN-UHFFFAOYSA-N	-1	0	319.346	0.333	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CO)n1Cc1cccs1	ZINC001602701019	971325082	/nfs/dbraw/zinc/32/50/82/971325082.db2.gz	SDAFWLMWSMBDRQ-UHFFFAOYSA-N	-1	0	306.347	0.404	20	30		DCEDRM
Cn1ncc([N-]S(=O)(=O)c2cccc3nonc32)c1C#N	ZINC001260436206	947101895	/nfs/dbraw/zinc/10/18/95/947101895.db2.gz	SDCRWZVIDQYFLE-UHFFFAOYSA-N	-1	0	304.291	0.629	20	30		DCEDRM
CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cncc(C#N)n2)s1	ZINC001260700471	947140006	/nfs/dbraw/zinc/14/00/06/947140006.db2.gz	ASQMALUOTFOADV-UHFFFAOYSA-N	-1	0	324.347	0.564	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)N(CC#C)CC(=O)[O-])cc1	ZINC001602704361	971334454	/nfs/dbraw/zinc/33/44/54/971334454.db2.gz	GIRJLLGDEYLHDX-UHFFFAOYSA-N	-1	0	300.314	0.928	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001411073603	947295969	/nfs/dbraw/zinc/29/59/69/947295969.db2.gz	BRSLEHMGUDYWBT-BJOHPYRUSA-N	-1	0	319.365	0.552	20	30		DCEDRM
C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001262056712	947541081	/nfs/dbraw/zinc/54/10/81/947541081.db2.gz	XNHXJQCQCJRZRA-TXEJJXNPSA-N	-1	0	320.345	0.816	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H](CC)O[C@@H](C)C1	ZINC001262969998	947791814	/nfs/dbraw/zinc/79/18/14/947791814.db2.gz	XABKIBSUQXORLO-WDEREUQCSA-N	-1	0	318.381	0.692	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1	ZINC001326797553	948279682	/nfs/dbraw/zinc/27/96/82/948279682.db2.gz	PWJRXGOPQKDRQN-VIFPVBQESA-N	-1	0	301.320	0.943	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccn(C2CCOCC2)n1	ZINC001327228976	948427876	/nfs/dbraw/zinc/42/78/76/948427876.db2.gz	ZSNKJRUDRHAKDJ-JTQLQIEISA-N	-1	0	308.338	0.795	20	30		DCEDRM
CC(C)(C#N)CCS(=O)(=O)NN=c1[n-]ncc(N)c1Cl	ZINC001327236202	948431855	/nfs/dbraw/zinc/43/18/55/948431855.db2.gz	WUBPCOBGXWHUHU-UHFFFAOYSA-N	-1	0	318.790	0.898	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C2(C)CCOCC2)n1	ZINC001264028097	948839692	/nfs/dbraw/zinc/83/96/92/948839692.db2.gz	JUPNXDBVGRHTON-UHFFFAOYSA-N	-1	0	318.377	0.338	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H]([C@H](O)C(F)(F)F)C1	ZINC001602778723	971512697	/nfs/dbraw/zinc/51/26/97/971512697.db2.gz	LSJOUPDPQULXAM-POZPLHJXSA-N	-1	0	308.256	0.763	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](C(=O)N2CCCC2)C1	ZINC001602779145	971514116	/nfs/dbraw/zinc/51/41/16/971514116.db2.gz	SCIOTVWQGCLGID-NHYWBVRUSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC001602779120	971514149	/nfs/dbraw/zinc/51/41/49/971514149.db2.gz	RWTCEIHPNUNIGL-NRUUGDAUSA-N	-1	0	314.363	0.169	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OC[C@@H]1CCCS(=O)(=O)C1	ZINC001602781723	971525580	/nfs/dbraw/zinc/52/55/80/971525580.db2.gz	GGWOQPJVQFVALF-CABZTGNLSA-N	-1	0	303.336	0.359	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)[C@@]1(C(=O)[O-])CC1(C)C)C1CC1	ZINC001602782730	971530679	/nfs/dbraw/zinc/53/06/79/971530679.db2.gz	ZDOGYVQDHDYCET-GJZGRUSLSA-N	-1	0	308.334	0.839	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(NS(C)(=O)=O)cc1	ZINC000092476726	949143733	/nfs/dbraw/zinc/14/37/33/949143733.db2.gz	SKPJNDVESOQEFP-UHFFFAOYSA-N	-1	0	310.331	0.218	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)CCCc1nnn[n-]1)C(=O)OCC	ZINC001364478337	949387831	/nfs/dbraw/zinc/38/78/31/949387831.db2.gz	RFTGRVZQRDYAOS-VIFPVBQESA-N	-1	0	315.761	0.713	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N2CCC(C#N)CC2)CC[C@H]1C(=O)[O-]	ZINC001329163340	949400149	/nfs/dbraw/zinc/40/01/49/949400149.db2.gz	RNZYITBXJNSALH-CMPLNLGQSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[C@@H]2OC)n1	ZINC001489076649	949466181	/nfs/dbraw/zinc/46/61/81/949466181.db2.gz	OZGGIYRLUJCCBE-OLZOCXBDSA-N	-1	0	318.377	0.336	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)c1	ZINC001364567623	949559591	/nfs/dbraw/zinc/55/95/91/949559591.db2.gz	KUWFGLFAEINWPT-NSHDSACASA-N	-1	0	311.349	0.767	20	30		DCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccc(N(CC)C(C)=O)nc1	ZINC001329573049	949693068	/nfs/dbraw/zinc/69/30/68/949693068.db2.gz	MMORXXNJIMXMGH-UHFFFAOYSA-N	-1	0	306.322	0.627	20	30		DCEDRM
C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)c1nnnn1C	ZINC001364972795	950277851	/nfs/dbraw/zinc/27/78/51/950277851.db2.gz	TXQOGXFBLNUIPW-ZETCQYMHSA-N	-1	0	310.314	0.260	20	30		DCEDRM
COC(=O)C(F)(F)C[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC001364989451	950309620	/nfs/dbraw/zinc/30/96/20/950309620.db2.gz	JPNUCJHMPOYZAF-UHFFFAOYSA-N	-1	0	318.301	0.786	20	30		DCEDRM
CC1(C)CC[C@@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365172225	950660665	/nfs/dbraw/zinc/66/06/65/950660665.db2.gz	UAFKNHBKURHYDL-JTQLQIEISA-N	-1	0	305.338	0.308	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@H]2CCC[C@@H](F)C2)c(=O)[n-]c1=O	ZINC001365212474	950749155	/nfs/dbraw/zinc/74/91/55/950749155.db2.gz	NNYVUWDZNQYVMD-MNOVXSKESA-N	-1	0	323.328	0.400	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NC[C@H]2CCCS2)c(=O)[n-]c1=O	ZINC001365353327	951013101	/nfs/dbraw/zinc/01/31/01/951013101.db2.gz	IFCGQXNBHQCFNN-SNVBAGLBSA-N	-1	0	323.378	0.015	20	30		DCEDRM
CCOC(=O)[C@@H](CSC)NS(=O)(=O)c1ccc(C#N)o1	ZINC001365459412	951152376	/nfs/dbraw/zinc/15/23/76/951152376.db2.gz	YUTLQMLHTGFVKI-SECBINFHSA-N	-1	0	318.376	0.724	20	30		DCEDRM
C#CCN1C(=O)COCC12CN(Cc1ccc(F)c(F)c1[O-])C2	ZINC001274030352	951339362	/nfs/dbraw/zinc/33/93/62/951339362.db2.gz	JWUPSSOSXUOFAF-UHFFFAOYSA-N	-1	0	322.311	0.717	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NCc2nc(=O)o[n-]2)c1Cl	ZINC001365711888	951466203	/nfs/dbraw/zinc/46/62/03/951466203.db2.gz	HHZFIKPOVMZANP-UHFFFAOYSA-N	-1	0	314.710	0.366	20	30		DCEDRM
C#CCN1CC2(CN(Cc3cc(O)cc(F)c3)C2)OCC1=O	ZINC001274214546	951487891	/nfs/dbraw/zinc/48/78/91/951487891.db2.gz	YFEFTOYKHAFNKY-UHFFFAOYSA-N	-1	0	304.321	0.578	20	30		DCEDRM
CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)C(=O)[O-]	ZINC001332946930	951860503	/nfs/dbraw/zinc/86/05/03/951860503.db2.gz	QSHWWLNBNGYJCM-JTQLQIEISA-N	-1	0	321.337	0.208	20	30		DCEDRM
CC(C)CO[N-]C(=O)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC001333229389	951966596	/nfs/dbraw/zinc/96/65/96/951966596.db2.gz	GLIXPOKFUHOXPV-AWEZNQCLSA-N	-1	0	301.346	0.845	20	30		DCEDRM
C=CC[C@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001333318056	952003464	/nfs/dbraw/zinc/00/34/64/952003464.db2.gz	PGCFHQJZHBMBIN-JQWIXIFHSA-N	-1	0	307.354	0.327	20	30		DCEDRM
C=CCN(Cc1cccs1)C(=O)C(=O)NCC(=O)[N-]OC	ZINC001333334711	952011572	/nfs/dbraw/zinc/01/15/72/952011572.db2.gz	JLLGOFIZAZDIBR-UHFFFAOYSA-N	-1	0	311.363	0.057	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1cnc(OC)s1)C(=O)OCC	ZINC001334298601	952282794	/nfs/dbraw/zinc/28/27/94/952282794.db2.gz	SZGHOQLLZWNMGM-MRVPVSSYSA-N	-1	0	320.392	0.938	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2ccc(Cl)cc2)c(=O)[n-]c1=O	ZINC001411608111	952319960	/nfs/dbraw/zinc/31/99/60/952319960.db2.gz	GGMYSNFTQRNPHZ-UHFFFAOYSA-N	-1	0	318.720	0.790	20	30		DCEDRM
C[C@H](CO[C@H]1CCOC1)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001575177767	952402195	/nfs/dbraw/zinc/40/21/95/952402195.db2.gz	MRBDPSFWZDSLRD-BDAKNGLRSA-N	-1	0	316.325	0.134	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21	ZINC001411903510	952527486	/nfs/dbraw/zinc/52/74/86/952527486.db2.gz	SFTPGGRTZDVHDR-NWDGAFQWSA-N	-1	0	314.345	0.851	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001337127307	952814305	/nfs/dbraw/zinc/81/43/05/952814305.db2.gz	BHPWIXIJIAQGPD-ONGXEEELSA-N	-1	0	322.365	0.039	20	30		DCEDRM
CC(C)N(Cc1ccco1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412470948	952826636	/nfs/dbraw/zinc/82/66/36/952826636.db2.gz	JVSQDCCQJMBLBQ-UHFFFAOYSA-N	-1	0	316.317	0.851	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)c1C#N	ZINC001412618393	952943911	/nfs/dbraw/zinc/94/39/11/952943911.db2.gz	XQKXYHFJVUHTOF-SNVBAGLBSA-N	-1	0	315.337	0.392	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001338093643	952962434	/nfs/dbraw/zinc/96/24/34/952962434.db2.gz	WQTJITCPASCQAG-ZYHUDNBSSA-N	-1	0	318.377	0.802	20	30		DCEDRM
N#Cc1cccc(C(=O)N2C[C@H]3C[C@H](CC(N)=O)O[C@H]3C2)c1[O-]	ZINC001276215881	953012363	/nfs/dbraw/zinc/01/23/63/953012363.db2.gz	QGZZEUAPHKQUAS-WZRBSPASSA-N	-1	0	315.329	0.369	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1C[C@@H](CC)O[C@@H](C)C1	ZINC001339091482	953071919	/nfs/dbraw/zinc/07/19/19/953071919.db2.gz	UXUCAHCXXNAZKF-VHSXEESVSA-N	-1	0	304.358	0.648	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@H]2COC[C@@]2(C)C1	ZINC001340432018	953168937	/nfs/dbraw/zinc/16/89/37/953168937.db2.gz	WZVJHEMCOMDMBH-ZUZCIYMTSA-N	-1	0	316.365	0.161	20	30		DCEDRM
CCOCCN(C)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C	ZINC001341378405	953227212	/nfs/dbraw/zinc/22/72/12/953227212.db2.gz	VMIAWAJTZZRCBL-UHFFFAOYSA-N	-1	0	302.338	0.927	20	30		DCEDRM
COC(=O)c1cnc(C([O-])=C(C#N)C(=O)NC2CCCC2)cn1	ZINC001341903562	953257731	/nfs/dbraw/zinc/25/77/31/953257731.db2.gz	MWFKUUDALBXSJX-SNVBAGLBSA-N	-1	0	316.317	0.644	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)Cc1nccs1	ZINC001342241163	953278651	/nfs/dbraw/zinc/27/86/51/953278651.db2.gz	MKPOMMXRLASDAU-UHFFFAOYSA-N	-1	0	317.378	0.781	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C2CCOCC2)nn1C	ZINC001343510708	953350605	/nfs/dbraw/zinc/35/06/05/953350605.db2.gz	UDEVXFUTHJMVGV-GFCCVEGCSA-N	-1	0	316.361	0.939	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)C1	ZINC001589266740	953375137	/nfs/dbraw/zinc/37/51/37/953375137.db2.gz	VMCLAQOASADCBA-JHJVBQTASA-N	-1	0	321.377	0.708	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(CCC(N)=O)cc1	ZINC001346206556	953823136	/nfs/dbraw/zinc/82/31/36/953823136.db2.gz	GYIWIKSOTFLEKA-SNVBAGLBSA-N	-1	0	305.334	0.665	20	30		DCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2(CCOCC2)O1	ZINC001589366584	954200984	/nfs/dbraw/zinc/20/09/84/954200984.db2.gz	OYMWGPSZNSPNEC-BXUZGUMPSA-N	-1	0	310.350	0.787	20	30		DCEDRM
C[C@@H]1CN(C(=O)C2(CC(=O)[O-])CCOCC2)C[C@H](C)N1CC#N	ZINC001589376777	954264684	/nfs/dbraw/zinc/26/46/84/954264684.db2.gz	XIDJWOOAESJHSK-BETUJISGSA-N	-1	0	323.393	0.703	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCCCC(=O)[O-]	ZINC001593750559	954402966	/nfs/dbraw/zinc/40/29/66/954402966.db2.gz	ASAKVQFSTUHTJU-UHFFFAOYSA-N	-1	0	322.369	0.692	20	30		DCEDRM
C=CCN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1	ZINC001349845386	954908885	/nfs/dbraw/zinc/90/88/85/954908885.db2.gz	BJGPYRMJQDGQOL-OUAUKWLOSA-N	-1	0	301.364	0.299	20	30		DCEDRM
C#CC1(O)CCN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)CC1	ZINC001350561989	955136426	/nfs/dbraw/zinc/13/64/26/955136426.db2.gz	DMPGBGUKGVPKBA-UHFFFAOYSA-N	-1	0	317.370	0.981	20	30		DCEDRM
C=CCOCC(=O)N(C)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001350670365	955162963	/nfs/dbraw/zinc/16/29/63/955162963.db2.gz	PEBFMLMIGHFULS-NSHDSACASA-N	-1	0	322.365	0.299	20	30		DCEDRM
CC(C)(C)[C@H](CNCC#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001284630853	955206530	/nfs/dbraw/zinc/20/65/30/955206530.db2.gz	KEJCVZDUYOKGKO-NSHDSACASA-N	-1	0	316.365	0.280	20	30		DCEDRM
C/C(=C\C(=O)Nc1nc(C#N)c(C#N)[n-]1)CN1CCOCC1	ZINC001300045257	955658489	/nfs/dbraw/zinc/65/84/89/955658489.db2.gz	ZNMLDJBKVOLGIX-UXBLZVDNSA-N	-1	0	300.322	0.370	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(NC(C)=O)ccc1C)C(=O)[O-]	ZINC000387568849	972128042	/nfs/dbraw/zinc/12/80/42/972128042.db2.gz	NAZJBGSPWPETFD-LBPRGKRZSA-N	-1	0	324.358	0.708	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)[C@H](C#N)C(=O)N(C)Cc1ccccc1	ZINC001593901052	955869085	/nfs/dbraw/zinc/86/90/85/955869085.db2.gz	QNLHZZZSTMVJID-AAEUAGOBSA-N	-1	0	304.302	0.453	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001594603118	956153768	/nfs/dbraw/zinc/15/37/68/956153768.db2.gz	XRROKBAJSSPMBM-CYBMUJFWSA-N	-1	0	306.253	0.182	20	30		DCEDRM
N#CCC1(CNC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1	ZINC001594606091	956177706	/nfs/dbraw/zinc/17/77/06/956177706.db2.gz	OGOOXUFTPZJLJL-LLVKDONJSA-N	-1	0	322.365	0.445	20	30		DCEDRM
N#C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1	ZINC001594606473	956183984	/nfs/dbraw/zinc/18/39/84/956183984.db2.gz	XWRARFSZAPTOKP-QWHCGFSZSA-N	-1	0	321.377	0.852	20	30		DCEDRM
N#CCN1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	ZINC001594610115	956199735	/nfs/dbraw/zinc/19/97/35/956199735.db2.gz	RARAUIHBKMNGSK-UHFFFAOYSA-N	-1	0	324.381	0.155	20	30		DCEDRM
CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC001603088226	972163291	/nfs/dbraw/zinc/16/32/91/972163291.db2.gz	YASPYUAQWVOEPR-GFCCVEGCSA-N	-1	0	319.317	0.753	20	30		DCEDRM
N#Cc1c(=O)n(CN2CCO[C@@H](C(=O)[O-])C2)cc2c1CCCC2	ZINC001594614110	956228267	/nfs/dbraw/zinc/22/82/67/956228267.db2.gz	JGCLKVFYAYGLPQ-CQSZACIVSA-N	-1	0	317.345	0.342	20	30		DCEDRM
N#Cc1ccc(C2(C(=O)OCC(=O)NCC(=O)[O-])CC2)cc1	ZINC001594618632	956266172	/nfs/dbraw/zinc/26/61/72/956266172.db2.gz	UKBNODADAPBEKI-UHFFFAOYSA-N	-1	0	302.286	0.334	20	30		DCEDRM
N#Cc1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(F)c1	ZINC001594620780	956278938	/nfs/dbraw/zinc/27/89/38/956278938.db2.gz	RPUXJIFQZWNQPJ-GFCCVEGCSA-N	-1	0	312.322	0.381	20	30		DCEDRM
N#Cc1ccc(N2CC[C@@H](C(=O)OCC(=O)C(=O)[O-])C2)c(F)c1	ZINC001594620935	956280045	/nfs/dbraw/zinc/28/00/45/956280045.db2.gz	AJKKJJDEBVVLJW-SNVBAGLBSA-N	-1	0	320.276	0.721	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001354809867	956514775	/nfs/dbraw/zinc/51/47/75/956514775.db2.gz	BDMXOWPKBXAOQS-NSHDSACASA-N	-1	0	322.365	0.205	20	30		DCEDRM
CC1(C#N)CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1	ZINC001589181826	956529161	/nfs/dbraw/zinc/52/91/61/956529161.db2.gz	QRFDVCPAYMDYSP-LBPRGKRZSA-N	-1	0	321.377	0.852	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1	ZINC001589188029	956573822	/nfs/dbraw/zinc/57/38/22/956573822.db2.gz	PBQLEVGPLGDRDO-NHYWBVRUSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@@H](C(C)C)C1	ZINC001356038420	956767063	/nfs/dbraw/zinc/76/70/63/956767063.db2.gz	PPLLYZZOTBRVOJ-GFCCVEGCSA-N	-1	0	318.381	0.549	20	30		DCEDRM
Cn1ncc2c1CCC[C@H]2Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001413880218	957502014	/nfs/dbraw/zinc/50/20/14/957502014.db2.gz	PBAFEVXZGDVFCH-SNVBAGLBSA-N	-1	0	300.322	0.168	20	30		DCEDRM
COc1ccc(S(=O)(=O)NC[C@H](C)C#N)c(CC(=O)[O-])c1	ZINC000054156635	957522577	/nfs/dbraw/zinc/52/25/77/957522577.db2.gz	RORJYPIFKODOPL-SECBINFHSA-N	-1	0	312.347	0.760	20	30		DCEDRM
Cc1[nH]nc(S(=O)(=O)N(CCC#N)CC(C)C)c1C(=O)[O-]	ZINC000070446542	957674414	/nfs/dbraw/zinc/67/44/14/957674414.db2.gz	MARWLLGBHLHXGF-UHFFFAOYSA-N	-1	0	314.367	0.977	20	30		DCEDRM
COCCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001594024871	957701459	/nfs/dbraw/zinc/70/14/59/957701459.db2.gz	YXKBDJMPLFGRDY-IJLUTSLNSA-N	-1	0	319.365	0.853	20	30		DCEDRM
COC(=O)C1(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)CC1	ZINC001361359129	957892242	/nfs/dbraw/zinc/89/22/42/957892242.db2.gz	NZCDLZFVLQDSNP-UHFFFAOYSA-N	-1	0	307.331	0.816	20	30		DCEDRM
C#C[C@@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C(C)(C)C	ZINC001588388206	957991894	/nfs/dbraw/zinc/99/18/94/957991894.db2.gz	PZCGMMWIBBAPNN-SNVBAGLBSA-N	-1	0	315.391	0.430	20	30		DCEDRM
C#CC[C@H]1NC(=O)N(C[C@](C)(C(=O)[O-])c2ccccc2)C1=O	ZINC001588392165	958029831	/nfs/dbraw/zinc/02/98/31/958029831.db2.gz	URRGTGGDVOWESJ-WBMJQRKESA-N	-1	0	300.314	0.973	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC001588396088	958046946	/nfs/dbraw/zinc/04/69/46/958046946.db2.gz	TYGKGFFFWIUPRX-UHFFFAOYSA-N	-1	0	312.325	0.486	20	30		DCEDRM
CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCC2(C#N)CC2)n1	ZINC001347048095	958072126	/nfs/dbraw/zinc/07/21/26/958072126.db2.gz	ZXNVTSCAFKRRMT-UHFFFAOYSA-N	-1	0	319.321	0.061	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCn1sc2ccccc2c1=O	ZINC001588402285	958089978	/nfs/dbraw/zinc/08/99/78/958089978.db2.gz	PUSUYGMTWMMTOV-UHFFFAOYSA-N	-1	0	318.354	1.000	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CC1(NC(=O)OC(C)(C)C)CC1	ZINC001588402618	958092782	/nfs/dbraw/zinc/09/27/82/958092782.db2.gz	YAMXUHIMVBEORS-UHFFFAOYSA-N	-1	0	310.350	0.980	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C	ZINC001588407182	958097904	/nfs/dbraw/zinc/09/79/04/958097904.db2.gz	HZMCEAIMJXDOFS-NEPJUHHUSA-N	-1	0	309.366	0.505	20	30		DCEDRM
COc1cc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])c(F)cc1C#N	ZINC001594062211	958100595	/nfs/dbraw/zinc/10/05/95/958100595.db2.gz	RPQIHUDJVCDNBL-ZETCQYMHSA-N	-1	0	323.280	0.624	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cccnc1-n1ccnc1	ZINC001588408837	958117888	/nfs/dbraw/zinc/11/78/88/958117888.db2.gz	HSGRWQKZODSJAC-UHFFFAOYSA-N	-1	0	313.317	0.497	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CN1CCO[C@H](CC(=O)[O-])C1	ZINC000091295792	958133483	/nfs/dbraw/zinc/13/34/83/958133483.db2.gz	QLUQGBJFMVOLPO-SNVBAGLBSA-N	-1	0	309.347	0.734	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCC[C@H]2CNC(=O)C2)cc1C#N	ZINC001361619777	958143593	/nfs/dbraw/zinc/14/35/93/958143593.db2.gz	PFRPKAHDMZUJNE-MRVPVSSYSA-N	-1	0	320.374	0.637	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc([C@H]2CCCO2)nn1C	ZINC001588411347	958149362	/nfs/dbraw/zinc/14/93/62/958149362.db2.gz	WWXZKNMRJDPPQG-LLVKDONJSA-N	-1	0	306.322	0.823	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)N[C@@H](C)c1ccccc1OC	ZINC001588420221	958201628	/nfs/dbraw/zinc/20/16/28/958201628.db2.gz	QQMOIEXFUPHRCW-LBPRGKRZSA-N	-1	0	304.346	0.892	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnnn1[C@H]1CCO[C@@H](C2CC2)C1	ZINC001588426723	958231893	/nfs/dbraw/zinc/23/18/93/958231893.db2.gz	ACCKSHLNBKUVHL-NWDGAFQWSA-N	-1	0	305.338	0.327	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnnn1[C@H]1CCO[C@H](C2CC2)C1	ZINC001588426724	958232825	/nfs/dbraw/zinc/23/28/25/958232825.db2.gz	ACCKSHLNBKUVHL-RYUDHWBXSA-N	-1	0	305.338	0.327	20	30		DCEDRM
Cc1oc(C)c(S(=O)(=O)N2CCO[C@H](C#N)C2)c1C(=O)[O-]	ZINC000093932479	958257244	/nfs/dbraw/zinc/25/72/44/958257244.db2.gz	JBUAPEKAMDJRAW-SECBINFHSA-N	-1	0	314.319	0.508	20	30		DCEDRM
C#CCOC(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1	ZINC001588430791	958260568	/nfs/dbraw/zinc/26/05/68/958260568.db2.gz	GQKGIZGAJFUYGT-CQSZACIVSA-N	-1	0	313.306	0.254	20	30		DCEDRM
C#CCOCCn1nnnc1N1CCC[C@H](CCC(=O)[O-])C1	ZINC001588431774	958274823	/nfs/dbraw/zinc/27/48/23/958274823.db2.gz	XFGVXWTUAKQXOG-GFCCVEGCSA-N	-1	0	307.354	0.404	20	30		DCEDRM
C#C[C@H]1CC[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC001588432800	958288835	/nfs/dbraw/zinc/28/88/35/958288835.db2.gz	DVCHMRXXPXOZRJ-AULYBMBSSA-N	-1	0	314.407	0.809	20	30		DCEDRM
N#C[C@@]1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC12CCCC2	ZINC001361785763	958329064	/nfs/dbraw/zinc/32/90/64/958329064.db2.gz	SGASUPYVMPEOQT-IINYFYTJSA-N	-1	0	302.338	0.574	20	30		DCEDRM
C=C(C)Cn1c([C@H](O)COC)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588441364	958336767	/nfs/dbraw/zinc/33/67/67/958336767.db2.gz	BQNWBPHCVLTPDA-ABAIWWIYSA-N	-1	0	324.381	0.835	20	30		DCEDRM
C=C(C)Cn1c([C@@H](O)COC)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588441370	958337315	/nfs/dbraw/zinc/33/73/15/958337315.db2.gz	BQNWBPHCVLTPDA-NHYWBVRUSA-N	-1	0	324.381	0.835	20	30		DCEDRM
COCc1ccccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361808768	958356479	/nfs/dbraw/zinc/35/64/79/958356479.db2.gz	KMOLUXNAYMTIMO-UHFFFAOYSA-N	-1	0	314.301	0.606	20	30		DCEDRM
C[C@H]1CCC[C@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001361813311	958359774	/nfs/dbraw/zinc/35/97/74/958359774.db2.gz	NIMGYEIJHYXOKB-JQWIXIFHSA-N	-1	0	304.350	0.906	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCCc1cn(CC(=O)[O-])nn1	ZINC001588444756	958366857	/nfs/dbraw/zinc/36/68/57/958366857.db2.gz	QLEWQLYLWBBXQV-AAEUAGOBSA-N	-1	0	309.322	0.430	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C	ZINC001361860130	958416433	/nfs/dbraw/zinc/41/64/33/958416433.db2.gz	BXPIKSKOHOTROB-VHSXEESVSA-N	-1	0	302.334	0.693	20	30		DCEDRM
Cc1cnc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001361882527	958445946	/nfs/dbraw/zinc/44/59/46/958445946.db2.gz	QNPAJZPPOMMRJO-UHFFFAOYSA-N	-1	0	319.346	0.292	20	30		DCEDRM
Cc1ccc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1C#N	ZINC001361895626	958460344	/nfs/dbraw/zinc/46/03/44/958460344.db2.gz	JQOMGDKFPHCKNR-UHFFFAOYSA-N	-1	0	322.328	0.568	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588460142	958473718	/nfs/dbraw/zinc/47/37/18/958473718.db2.gz	WREDZUSYXFCMOA-LLVKDONJSA-N	-1	0	318.395	0.338	20	30		DCEDRM
C=CCNC(=S)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001588465500	958505522	/nfs/dbraw/zinc/50/55/22/958505522.db2.gz	NWCXNERTHQMSPN-XIRUVYRFSA-N	-1	0	312.391	0.633	20	30		DCEDRM
C=CCOCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001588466470	958512897	/nfs/dbraw/zinc/51/28/97/958512897.db2.gz	SHPIGJMJSAIOEW-UWVGGRQHSA-N	-1	0	324.299	0.785	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC001588472081	958540756	/nfs/dbraw/zinc/54/07/56/958540756.db2.gz	JGNIZZRQZLFQHK-TUAOUCFPSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC001588472494	958543646	/nfs/dbraw/zinc/54/36/46/958543646.db2.gz	NPXRFPIXHVINTC-IJLUTSLNSA-N	-1	0	308.382	0.934	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN2C(=O)OC[C@@H]2C1	ZINC001362083989	958706852	/nfs/dbraw/zinc/70/68/52/958706852.db2.gz	CQDDTLDNCDYRBB-JTQLQIEISA-N	-1	0	302.290	0.244	20	30		DCEDRM
CC(=O)NCC[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001588502114	958711815	/nfs/dbraw/zinc/71/18/15/958711815.db2.gz	OEANGKVZGHYAQV-IUODEOHRSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CC(C)(NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1cccs1	ZINC001362100238	958738026	/nfs/dbraw/zinc/73/80/26/958738026.db2.gz	DLIWVOLDGICXQY-UHFFFAOYSA-N	-1	0	318.358	0.934	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(NC(=O)CSCC#N)CC2)c1[O-]	ZINC001299146524	958847400	/nfs/dbraw/zinc/84/74/00/958847400.db2.gz	QUUJSODJNKLCIU-UHFFFAOYSA-N	-1	0	323.378	0.059	20	30		DCEDRM
Cc1cc([C@@H](C)NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c(C)o1	ZINC001362180765	958883376	/nfs/dbraw/zinc/88/33/76/958883376.db2.gz	YPTFJSAXYUDKGX-SECBINFHSA-N	-1	0	316.317	0.908	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1	ZINC001588539004	958950187	/nfs/dbraw/zinc/95/01/87/958950187.db2.gz	SYWNGLRMKDGXKL-XJKCOSOUSA-N	-1	0	318.329	0.642	20	30		DCEDRM
CC(=O)N1CC[C@@H](CN(C)C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362223631	958955771	/nfs/dbraw/zinc/95/57/71/958955771.db2.gz	KYPIUWHTKNXZNI-LBPRGKRZSA-N	-1	0	316.361	0.908	20	30		DCEDRM
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC001588543625	958981684	/nfs/dbraw/zinc/98/16/84/958981684.db2.gz	OMNFKBSBZCNNDH-SNVBAGLBSA-N	-1	0	319.317	0.849	20	30		DCEDRM
C[C@H](C#N)CNC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1	ZINC001588543685	958982023	/nfs/dbraw/zinc/98/20/23/958982023.db2.gz	QDRLXQMDNGTTBW-WOPDTQHZSA-N	-1	0	319.365	0.779	20	30		DCEDRM
C#CC[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)C(=O)[O-]	ZINC000149799807	959027649	/nfs/dbraw/zinc/02/76/49/959027649.db2.gz	MFNGSMANSIXANI-NSHDSACASA-N	-1	0	308.721	0.663	20	30		DCEDRM
C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])n1cnc(C#N)n1	ZINC001588556201	959052532	/nfs/dbraw/zinc/05/25/32/959052532.db2.gz	CGTPNMPUQOTABJ-PWSUYJOCSA-N	-1	0	313.317	0.523	20	30		DCEDRM
CC(C)(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])S(C)(=O)=O	ZINC001588558276	959081170	/nfs/dbraw/zinc/08/11/70/959081170.db2.gz	QYMJYTMLVPIGSR-GFCCVEGCSA-N	-1	0	304.368	0.320	20	30		DCEDRM
N#Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c(Cl)c1	ZINC000163530131	959238700	/nfs/dbraw/zinc/23/87/00/959238700.db2.gz	JAKPABFWVFEKMI-GFCCVEGCSA-N	-1	0	307.737	0.987	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC001588585786	959309445	/nfs/dbraw/zinc/30/94/45/959309445.db2.gz	PGVAFFXGHBJAKP-BXKDBHETSA-N	-1	0	302.286	0.927	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C	ZINC001362435044	959351900	/nfs/dbraw/zinc/35/19/00/959351900.db2.gz	UFXKIWDAKGLIGO-RYUDHWBXSA-N	-1	0	321.377	0.855	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)[C@H]1C	ZINC001362605023	959682586	/nfs/dbraw/zinc/68/25/86/959682586.db2.gz	NOCSTWWIWVJJJO-ONGXEEELSA-N	-1	0	303.318	0.991	20	30		DCEDRM
Cc1coc(C)c1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362690332	959836164	/nfs/dbraw/zinc/83/61/64/959836164.db2.gz	RERZSRCKIBTXNN-UHFFFAOYSA-N	-1	0	302.290	0.460	20	30		DCEDRM
CC(Cl)(Cl)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001301213305	959996780	/nfs/dbraw/zinc/99/67/80/959996780.db2.gz	NCTGJXDJSBFIAS-UHFFFAOYSA-N	-1	0	305.121	0.131	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC2CCCCCC2)c(=O)[n-]c1=O	ZINC001362837138	960066528	/nfs/dbraw/zinc/06/65/28/960066528.db2.gz	MCAQGAWEWYYUPA-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
Cc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)nn1C(C)C	ZINC001362904384	960157956	/nfs/dbraw/zinc/15/79/56/960157956.db2.gz	PPIMFECMSAGEIC-UHFFFAOYSA-N	-1	0	316.321	0.545	20	30		DCEDRM
COC[C@@H](CC(C)(C)C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362965752	960235522	/nfs/dbraw/zinc/23/55/22/960235522.db2.gz	RYFMLMQWIVGWEW-LLVKDONJSA-N	-1	0	322.365	0.388	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCS(=O)(=O)[C@@H](C)C1	ZINC001362973202	960243342	/nfs/dbraw/zinc/24/33/42/960243342.db2.gz	PRAJLUNADFYHHN-GXSJLCMTSA-N	-1	0	323.374	0.663	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc(F)c(F)c2)c(=O)[n-]c1=O	ZINC001362998086	960276904	/nfs/dbraw/zinc/27/69/04/960276904.db2.gz	BXJSCEQLSMGJIC-UHFFFAOYSA-N	-1	0	320.255	0.529	20	30		DCEDRM
C[C@@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccccn1	ZINC001363128439	960438851	/nfs/dbraw/zinc/43/88/51/960438851.db2.gz	MFQVEIDUCNVFQB-SNVBAGLBSA-N	-1	0	313.317	0.135	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H](CO)Cc2ccccc2)c(C#N)c1=O	ZINC001363135594	960454730	/nfs/dbraw/zinc/45/47/30/960454730.db2.gz	WMBCDRCGEOBCFG-GFCCVEGCSA-N	-1	0	314.345	0.208	20	30		DCEDRM
CC(C)(CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001363337407	960926797	/nfs/dbraw/zinc/92/67/97/960926797.db2.gz	KTQVNHYQICQCTC-UHFFFAOYSA-N	-1	0	304.350	0.763	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1NC(=O)Nc1ccn(CCC#N)n1	ZINC001571080842	961005270	/nfs/dbraw/zinc/00/52/70/961005270.db2.gz	WTFLROOYZTXYNE-UHFFFAOYSA-N	-1	0	303.282	0.872	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC001571086291	961067616	/nfs/dbraw/zinc/06/76/16/961067616.db2.gz	ZEBGLDUDIZMSMX-IUCAKERBSA-N	-1	0	304.306	0.658	20	30		DCEDRM
N#CCc1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1	ZINC001571103179	961255339	/nfs/dbraw/zinc/25/53/39/961255339.db2.gz	SVOBCMBJCQCLLJ-CYBMUJFWSA-N	-1	0	308.359	0.436	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)c1	ZINC001571106180	961274742	/nfs/dbraw/zinc/27/47/42/961274742.db2.gz	JBOLFKSGJMQNDC-CYBMUJFWSA-N	-1	0	310.331	0.328	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)c2cccnc2C(=O)[O-])C1	ZINC001332124214	961464791	/nfs/dbraw/zinc/46/47/91/961464791.db2.gz	DXBQFRMNBLNEMX-JTQLQIEISA-N	-1	0	312.347	0.745	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)C[C@@H]1CCCO1	ZINC001363591176	961507762	/nfs/dbraw/zinc/50/77/62/961507762.db2.gz	LSWSBYRTOPRPOO-RYUDHWBXSA-N	-1	0	305.334	0.627	20	30		DCEDRM
CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](CC#N)C1)C(=O)[O-]	ZINC001588815240	961564047	/nfs/dbraw/zinc/56/40/47/961564047.db2.gz	ICMZVFDEMJNDQF-NEPJUHHUSA-N	-1	0	309.366	0.612	20	30		DCEDRM
COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363624378	961568331	/nfs/dbraw/zinc/56/83/31/961568331.db2.gz	IHXGKDWBJUTIKL-BXKDBHETSA-N	-1	0	319.317	0.275	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)C(=O)[O-]	ZINC001588816792	961592702	/nfs/dbraw/zinc/59/27/02/961592702.db2.gz	OEKBGFHBJJQRNU-SNVBAGLBSA-N	-1	0	304.306	0.365	20	30		DCEDRM
N#Cc1cccnc1-n1cc(NC(=O)NC[C@H](F)C(=O)[O-])cn1	ZINC001571137736	961620598	/nfs/dbraw/zinc/62/05/98/961620598.db2.gz	LSTWARAOGJSTHT-JTQLQIEISA-N	-1	0	318.268	0.683	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])c1Cl	ZINC001571141013	961664479	/nfs/dbraw/zinc/66/44/79/961664479.db2.gz	JNADPMMFWRDUCP-MRVPVSSYSA-N	-1	0	318.738	0.326	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)COc1ccccc1C#N)C(=O)[O-]	ZINC001571143001	961684829	/nfs/dbraw/zinc/68/48/29/961684829.db2.gz	HHEDDNJDWUDQRD-UWVGGRQHSA-N	-1	0	319.317	0.031	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)n1	ZINC001571148983	961760005	/nfs/dbraw/zinc/76/00/05/961760005.db2.gz	IGSBEYLOXQNADM-LLVKDONJSA-N	-1	0	320.353	0.436	20	30		DCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC001363735164	961785996	/nfs/dbraw/zinc/78/59/96/961785996.db2.gz	OILSOKHVYGSKBB-CQSZACIVSA-N	-1	0	324.337	0.583	20	30		DCEDRM
N#C[C@]12CN(C(=O)c3ccc(F)cc3[O-])C[C@H]1CS(=O)(=O)C2	ZINC001363743713	961796513	/nfs/dbraw/zinc/79/65/13/961796513.db2.gz	AUQMELDKGGWRIY-LKFCYVNXSA-N	-1	0	324.333	0.542	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]1C(=O)[O-]	ZINC001571163756	961955724	/nfs/dbraw/zinc/95/57/24/961955724.db2.gz	PZIQLINGTRBVEQ-JTQLQIEISA-N	-1	0	324.314	0.192	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c(C#N)c1=O	ZINC001364189523	962641060	/nfs/dbraw/zinc/64/10/60/962641060.db2.gz	AQTFHEHZAWRCIK-MVWJERBFSA-N	-1	0	304.350	0.075	20	30		DCEDRM
CN(C[C@@](C)(O)c1ccccc1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364206430	962669903	/nfs/dbraw/zinc/66/99/03/962669903.db2.gz	XGQHAFARZRHFFG-MRXNPFEDSA-N	-1	0	314.345	0.289	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)COCC(=O)[O-])c1	ZINC001354039512	962693327	/nfs/dbraw/zinc/69/33/27/962693327.db2.gz	PGSQBLYJXASAAW-UHFFFAOYSA-N	-1	0	304.302	0.166	20	30		DCEDRM
CC[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@H](O)c1ccccc1	ZINC001364224671	962706380	/nfs/dbraw/zinc/70/63/80/962706380.db2.gz	RNFGKBRJSHCWGI-CHWSQXEVSA-N	-1	0	314.345	0.869	20	30		DCEDRM
C=C(Br)CN1CCC[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573313939	962740967	/nfs/dbraw/zinc/74/09/67/962740967.db2.gz	UNQWLPNOWXPBAG-VIFPVBQESA-N	-1	0	320.187	0.743	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573320698	962751445	/nfs/dbraw/zinc/75/14/45/962751445.db2.gz	DUHFMMWJUSCRLN-VXGBXAGGSA-N	-1	0	308.378	0.979	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001573320874	962753308	/nfs/dbraw/zinc/75/33/08/962753308.db2.gz	FYZCATBLZITWKV-WCBMZHEXSA-N	-1	0	315.351	0.367	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CN(C)c1ncnc2nc[nH]c21)C(=O)[O-]	ZINC001573321162	962755109	/nfs/dbraw/zinc/75/51/09/962755109.db2.gz	JJIZOJQIHBHXHU-VIFPVBQESA-N	-1	0	318.337	0.325	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@]23C[C@H]2COC32CCC2)c(C#N)c1=O	ZINC001364258792	962768016	/nfs/dbraw/zinc/76/80/16/962768016.db2.gz	UQSNNFQEBRAAFV-LKFCYVNXSA-N	-1	0	302.334	0.316	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)s1)C(=O)[O-]	ZINC000275048487	962819125	/nfs/dbraw/zinc/81/91/25/962819125.db2.gz	RYYZAXBOMNRTSD-ZETCQYMHSA-N	-1	0	317.344	0.290	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(C(=O)N2CCCC2)CC1	ZINC001573332787	962842551	/nfs/dbraw/zinc/84/25/51/962842551.db2.gz	RVUPDQOZZOAYHX-UHFFFAOYSA-N	-1	0	309.366	0.767	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573338722	962879810	/nfs/dbraw/zinc/87/98/10/962879810.db2.gz	HEXWMDWODAZFFQ-QMMMGPOBSA-N	-1	0	319.789	0.996	20	30		DCEDRM
C=C(CO)C(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001573339373	962889648	/nfs/dbraw/zinc/88/96/48/962889648.db2.gz	RMSAHSWKILKEPX-SECBINFHSA-N	-1	0	310.331	0.216	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@@H]1C[C@H](C)N(C(=O)CNC(=O)[O-])C1	ZINC001573346899	962944019	/nfs/dbraw/zinc/94/40/19/962944019.db2.gz	HKAIVJJUISPCKY-WDEREUQCSA-N	-1	0	311.382	0.962	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)C[C@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001573347465	962947357	/nfs/dbraw/zinc/94/73/57/962947357.db2.gz	KVIIPUYKUWHHPT-ZUZCIYMTSA-N	-1	0	322.365	0.761	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)[C@@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001573348445	962959177	/nfs/dbraw/zinc/95/91/77/962959177.db2.gz	XBQXZTJBRXDAQV-ZUZCIYMTSA-N	-1	0	322.365	0.183	20	30		DCEDRM
C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CNC(=O)[O-])C1	ZINC001573350629	962971051	/nfs/dbraw/zinc/97/10/51/962971051.db2.gz	KUHVJOFSRKFEBO-GFCCVEGCSA-N	-1	0	323.393	0.987	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C[C@@H]2C1	ZINC001573353253	962998754	/nfs/dbraw/zinc/99/87/54/962998754.db2.gz	SQMRYKHXLAYKLO-XQHKEYJVSA-N	-1	0	306.362	0.590	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001573363935	963048031	/nfs/dbraw/zinc/04/80/31/963048031.db2.gz	MLYHRIXGPWPCCZ-ADEWGFFLSA-N	-1	0	315.395	0.365	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC001573408378	963150620	/nfs/dbraw/zinc/15/06/20/963150620.db2.gz	XNJFMPZNCHZMMW-ZJUUUORDSA-N	-1	0	304.368	0.478	20	30		DCEDRM
C#CCCCC(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)[O-]	ZINC001588435569	964023753	/nfs/dbraw/zinc/02/37/53/964023753.db2.gz	UYRFWOLQVSRWTA-MNOVXSKESA-N	-1	0	312.391	0.671	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1Cn1nnnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588442458	964057269	/nfs/dbraw/zinc/05/72/69/964057269.db2.gz	QQTSLGRZGONKSO-WOPDTQHZSA-N	-1	0	307.354	0.565	20	30		DCEDRM
C#CCCCn1c(C2CC2)nnc1N1C[C@@H](CC(=O)[O-])[C@H](O)C1	ZINC001588447480	964087275	/nfs/dbraw/zinc/08/72/75/964087275.db2.gz	KSEORUYWGFIDJE-CHWSQXEVSA-N	-1	0	318.377	0.841	20	30		DCEDRM
C#Cc1cc(F)c(NC(=O)C(=O)N(C)CCC(=O)[O-])c(F)c1	ZINC001609624001	970424446	/nfs/dbraw/zinc/42/44/46/970424446.db2.gz	UECSUTASEWOLAQ-UHFFFAOYSA-N	-1	0	310.256	0.818	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1ccc(O)cc1O	ZINC001609693134	970455047	/nfs/dbraw/zinc/45/50/47/970455047.db2.gz	XDHAJOMOHLPGAI-CQSZACIVSA-N	-1	0	307.258	0.828	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC001609701302	970473030	/nfs/dbraw/zinc/47/30/30/970473030.db2.gz	YRAPMIRSRRBKLT-GXFFZTMASA-N	-1	0	315.329	0.496	20	30		DCEDRM
CN(Cc1ncnn1CC(F)F)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001604194767	972628054	/nfs/dbraw/zinc/62/80/54/972628054.db2.gz	GHCZHXFCDAWUPC-LBPRGKRZSA-N	-1	0	315.280	0.506	20	30		DCEDRM
Cc1c(C#N)c(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)nn1C	ZINC001605074105	972699913	/nfs/dbraw/zinc/69/99/13/972699913.db2.gz	JLSIAIOOLQYQPP-ZJUUUORDSA-N	-1	0	306.322	0.809	20	30		DCEDRM
Cc1c(C#N)c(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)nn1C	ZINC001605074102	972700030	/nfs/dbraw/zinc/70/00/30/972700030.db2.gz	JLSIAIOOLQYQPP-UWVGGRQHSA-N	-1	0	306.322	0.809	20	30		DCEDRM
C[C@H]1CN(C(=O)NC2CCN(CC#N)CC2)CC[C@@H]1C(=O)[O-]	ZINC001603442860	973236280	/nfs/dbraw/zinc/23/62/80/973236280.db2.gz	LBVOASHYNOQFIG-AAEUAGOBSA-N	-1	0	308.382	0.727	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(Cc2cc(C#N)ccc2F)CCO1	ZINC001604564166	973622899	/nfs/dbraw/zinc/62/28/99/973622899.db2.gz	HDFIGABYCLUQEO-OAHLLOKOSA-N	-1	0	308.309	0.999	20	30		DCEDRM
COCCn1c(CC(C)(C)C#N)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001604630166	973763101	/nfs/dbraw/zinc/76/31/01/973763101.db2.gz	ZHLBJXUXUYLNPD-NSHDSACASA-N	-1	0	321.381	0.928	20	30		DCEDRM
Cn1nccc1[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC001605569627	973824156	/nfs/dbraw/zinc/82/41/56/973824156.db2.gz	FSHUXMSALOPEIZ-RISCZKNCSA-N	-1	0	306.322	0.325	20	30		DCEDRM
N#C[C@@]1(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCc2ccccc2C1	ZINC001605583616	973874536	/nfs/dbraw/zinc/87/45/36/973874536.db2.gz	XDAMFQWSCUYFNO-CZUORRHYSA-N	-1	0	313.313	0.783	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])ccc1NCCOCCOCC(=O)[O-]	ZINC001605597389	973899599	/nfs/dbraw/zinc/89/95/99/973899599.db2.gz	PDPXPKVJFFUDCT-UHFFFAOYSA-N	-1	0	309.278	0.996	20	30		DCEDRM
C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C	ZINC001592222628	977409417	/nfs/dbraw/zinc/40/94/17/977409417.db2.gz	ZDPKYMMSFMWYSF-VIFPVBQESA-N	-1	0	318.333	0.808	20	30		DCEDRM
CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1nnn[n-]1	ZINC001528749667	1014404370	/nfs/dbraw/zinc/40/43/70/1014404370.db2.gz	RDUPSTOLFRYVRR-VIFPVBQESA-N	-1	0	323.357	0.750	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000717769204	977916668	/nfs/dbraw/zinc/91/66/68/977916668.db2.gz	DECAVXNVRWTFAF-MRVPVSSYSA-N	-1	0	301.295	0.186	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F	ZINC000718155723	977959892	/nfs/dbraw/zinc/95/98/92/977959892.db2.gz	KEHTWJGAINQQDJ-ZETCQYMHSA-N	-1	0	321.713	0.450	20	30		DCEDRM
C[C@@](CCF)(NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC001592507984	978331650	/nfs/dbraw/zinc/33/16/50/978331650.db2.gz	QRGAMHOMLPCRTP-NSHDSACASA-N	-1	0	301.299	0.434	20	30		DCEDRM
C[C@@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)CSCC#N	ZINC001592589058	978515385	/nfs/dbraw/zinc/51/53/85/978515385.db2.gz	UTMJBIZVMQAGKI-VIFPVBQESA-N	-1	0	323.378	0.372	20	30		DCEDRM
C[C@@H](CN1CCOCC1)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001592625154	978603975	/nfs/dbraw/zinc/60/39/75/978603975.db2.gz	XQGQAIFONYSBGI-LBPRGKRZSA-N	-1	0	324.381	0.107	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)c1[O-]	ZINC001523021630	1014523522	/nfs/dbraw/zinc/52/35/22/1014523522.db2.gz	IXBVETSLYUAPCI-LLVKDONJSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C[C@@](CO)(NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC001592755248	979328487	/nfs/dbraw/zinc/32/84/87/979328487.db2.gz	CBEDQPQIEWBULF-NSHDSACASA-N	-1	0	318.738	0.326	20	30		DCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC(=O)NCC(=O)[O-]	ZINC001592833124	979568852	/nfs/dbraw/zinc/56/88/52/979568852.db2.gz	BJGNTFSXFYNOPN-JTQLQIEISA-N	-1	0	303.318	0.054	20	30		DCEDRM
CCCN(CCNC(=O)[C@H](C)C#N)c1ncc(C(=O)[O-])cn1	ZINC001595880474	982890337	/nfs/dbraw/zinc/89/03/37/982890337.db2.gz	XNOGBRJCTCBPLA-SNVBAGLBSA-N	-1	0	305.338	0.667	20	30		DCEDRM
CCCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cncc(C#N)n1	ZINC001595882684	982897571	/nfs/dbraw/zinc/89/75/71/982897571.db2.gz	LBFZGTNRUNHEEU-VXGBXAGGSA-N	-1	0	317.349	0.402	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])nc1	ZINC001574249133	983202769	/nfs/dbraw/zinc/20/27/69/983202769.db2.gz	FTQQRMRWYVGAJH-RYUDHWBXSA-N	-1	0	318.333	0.504	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001588370398	983319087	/nfs/dbraw/zinc/31/90/87/983319087.db2.gz	CAGIZBAOVRFJTM-NSHDSACASA-N	-1	0	309.343	0.075	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)C1CCOCC1	ZINC001588372727	983333459	/nfs/dbraw/zinc/33/34/59/983333459.db2.gz	RLMOYXSOUZPVHC-CHWSQXEVSA-N	-1	0	310.350	0.300	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])[C@H]1CCCO1	ZINC001588378111	983361007	/nfs/dbraw/zinc/36/10/07/983361007.db2.gz	UVHMMYIQUVZDHE-VXGBXAGGSA-N	-1	0	303.380	0.732	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC001588382317	983370177	/nfs/dbraw/zinc/37/01/77/983370177.db2.gz	MLRSBCJJYGCWQL-CHWSQXEVSA-N	-1	0	306.362	0.618	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC001588384020	983386529	/nfs/dbraw/zinc/38/65/29/983386529.db2.gz	SMENVYGYQYUROY-CYBMUJFWSA-N	-1	0	318.329	0.807	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C	ZINC001588393027	983396038	/nfs/dbraw/zinc/39/60/38/983396038.db2.gz	ALIMRNHEUGUGLP-JTQLQIEISA-N	-1	0	315.322	0.495	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC001588393420	983397492	/nfs/dbraw/zinc/39/74/92/983397492.db2.gz	FTYXRIQPAMWGNZ-SSDOTTSWSA-N	-1	0	318.738	0.096	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1	ZINC001588393536	983398589	/nfs/dbraw/zinc/39/85/89/983398589.db2.gz	HAJDQTAQWPIRGM-LLVKDONJSA-N	-1	0	320.349	0.645	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1)C(=O)[O-]	ZINC001588399045	983414709	/nfs/dbraw/zinc/41/47/09/983414709.db2.gz	PZRKVDIMAGLIJX-GWCFXTLKSA-N	-1	0	318.304	0.771	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC001588407042	983427191	/nfs/dbraw/zinc/42/71/91/983427191.db2.gz	DQNNTDDAWBBOGD-WCQYABFASA-N	-1	0	318.329	0.894	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(NC(=O)C=C)ccc1O)C(=O)[O-]	ZINC001588413919	983432570	/nfs/dbraw/zinc/43/25/70/983432570.db2.gz	KXEJLDWPTQKNGT-LLVKDONJSA-N	-1	0	302.286	0.723	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1c2c(nn1C)CCCC2)C(=O)[O-]	ZINC001588424699	983456396	/nfs/dbraw/zinc/45/63/96/983456396.db2.gz	ZHVLBMJSWCJOLP-NSHDSACASA-N	-1	0	311.363	0.054	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(=O)[O-]	ZINC001588424682	983456459	/nfs/dbraw/zinc/45/64/59/983456459.db2.gz	YZLCFTDWJQFSFD-ZETCQYMHSA-N	-1	0	318.332	0.720	20	30		DCEDRM
C#CCC1(NS(=O)(=O)CC2(C(=O)[O-])CC2)CCOCC1	ZINC001588428012	983459374	/nfs/dbraw/zinc/45/93/74/983459374.db2.gz	WWPNMGBAGYHBFM-UHFFFAOYSA-N	-1	0	301.364	0.343	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1	ZINC001588431563	983465446	/nfs/dbraw/zinc/46/54/46/983465446.db2.gz	LJCYNTYHIWRAGC-LLVKDONJSA-N	-1	0	315.329	0.980	20	30		DCEDRM
C#CCN(Cc1cc(C(=O)[O-])c(C)n1C)[C@H]1CCS(=O)(=O)C1	ZINC001588470021	983504427	/nfs/dbraw/zinc/50/44/27/983504427.db2.gz	ZIJAZTCHCGIFRD-LBPRGKRZSA-N	-1	0	324.402	0.654	20	30		DCEDRM
C#CCN1C(=O)c2ccccc2N[C@H]1c1cn(CC(=O)[O-])nn1	ZINC001588471792	983507739	/nfs/dbraw/zinc/50/77/39/983507739.db2.gz	ZPUVZHGNTODCNV-CQSZACIVSA-N	-1	0	311.301	0.562	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588478498	983517884	/nfs/dbraw/zinc/51/78/84/983517884.db2.gz	CQXRCVODQATDCY-SNVBAGLBSA-N	-1	0	304.302	0.214	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H](C)[C@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001588490239	983531415	/nfs/dbraw/zinc/53/14/15/983531415.db2.gz	WHXJHMJDXCYNQH-QWRGUYRKSA-N	-1	0	320.349	0.520	20	30		DCEDRM
C#CCn1cc(CNS(=O)(=O)CCCCCC(=O)[O-])cn1	ZINC001588509844	983553946	/nfs/dbraw/zinc/55/39/46/983553946.db2.gz	QPHJOEZMBIBCRE-UHFFFAOYSA-N	-1	0	313.379	0.581	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])cn1	ZINC001588510650	983556545	/nfs/dbraw/zinc/55/65/45/983556545.db2.gz	GSYXMWAPGCGQFO-LBPRGKRZSA-N	-1	0	304.302	0.399	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1	ZINC001588517941	983567100	/nfs/dbraw/zinc/56/71/00/983567100.db2.gz	JZAUDBMVQKCOJP-TZMCWYRMSA-N	-1	0	323.370	0.684	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)NCCOCC(=O)[O-])c1	ZINC001588523692	983573271	/nfs/dbraw/zinc/57/32/71/983573271.db2.gz	TWXLGJRKADQPCU-UHFFFAOYSA-N	-1	0	319.317	0.007	20	30		DCEDRM
C=C(Br)Cn1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588529064	983579615	/nfs/dbraw/zinc/57/96/15/983579615.db2.gz	OTULIFVRCOYZFI-JIGDXULJSA-N	-1	0	314.143	0.349	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)[O-]	ZINC001588543084	983610720	/nfs/dbraw/zinc/61/07/20/983610720.db2.gz	WPJVSOKHLSNDII-MEBBXXQBSA-N	-1	0	323.349	0.243	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1c2n(c(=O)n1C)CCCC2)C(=O)[O-]	ZINC001588543739	983612341	/nfs/dbraw/zinc/61/23/41/983612341.db2.gz	NDDMKPORRSCTAH-JTQLQIEISA-N	-1	0	307.350	0.672	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cnc(Cl)n1C)C(=O)[O-]	ZINC001588555526	983635570	/nfs/dbraw/zinc/63/55/70/983635570.db2.gz	LHFCUQVDPBZYQJ-SSDOTTSWSA-N	-1	0	307.759	0.771	20	30		DCEDRM
C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588591327	983672455	/nfs/dbraw/zinc/67/24/55/983672455.db2.gz	HUUZJOISDXPWMG-MNOVXSKESA-N	-1	0	319.365	0.369	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCc2c(cccc2S(=O)(=O)NC)C1	ZINC001588670100	983818565	/nfs/dbraw/zinc/81/85/65/983818565.db2.gz	VYPCIBLHOPOITI-GFCCVEGCSA-N	-1	0	310.375	0.592	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@H](C)CCNc1ncc(C(=O)[O-])cn1	ZINC001588683724	983850466	/nfs/dbraw/zinc/85/04/66/983850466.db2.gz	CSLUFOHGWKWKCA-BMIGLBTASA-N	-1	0	322.365	0.809	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC001588683716	983850860	/nfs/dbraw/zinc/85/08/60/983850860.db2.gz	CQMNJTZPKXBXBC-HZMBPMFUSA-N	-1	0	300.355	0.045	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C[C@H]1CCCO1	ZINC001588704981	983925412	/nfs/dbraw/zinc/92/54/12/983925412.db2.gz	JJDCEVQBYHUVOG-TUAOUCFPSA-N	-1	0	322.365	0.587	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C[C@@H]1CCCO1	ZINC001588704980	983925450	/nfs/dbraw/zinc/92/54/50/983925450.db2.gz	JJDCEVQBYHUVOG-SRVKXCTJSA-N	-1	0	322.365	0.587	20	30		DCEDRM
C=CC[C@H](OC(=O)c1ccnc(N2CCOCC2)n1)C(=O)[O-]	ZINC001588757576	984103576	/nfs/dbraw/zinc/10/35/76/984103576.db2.gz	BHZWXOXGQRGKPI-NSHDSACASA-N	-1	0	307.306	0.499	20	30		DCEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001588770995	984136808	/nfs/dbraw/zinc/13/68/08/984136808.db2.gz	KZOSOEGSNVPZNK-OUAUKWLOSA-N	-1	0	300.330	0.776	20	30		DCEDRM
C=CC[C@@H]1NC(=O)N([C@@H]2CCCn3nc(C(=O)[O-])cc32)C1=O	ZINC001588773622	984148252	/nfs/dbraw/zinc/14/82/52/984148252.db2.gz	BRLIKSNISHYQRJ-WCBMZHEXSA-N	-1	0	304.306	0.913	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1cccn2c(=O)[nH]nc12)C(=O)[O-]	ZINC001588792968	984214759	/nfs/dbraw/zinc/21/47/59/984214759.db2.gz	ISMDQGLLLZJYIF-SNVBAGLBSA-N	-1	0	304.306	0.974	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)C1(C(=O)OC)CCC1)C(=O)[O-]	ZINC001588797289	984228839	/nfs/dbraw/zinc/22/88/39/984228839.db2.gz	BEFAWUPGNANVBY-SNVBAGLBSA-N	-1	0	319.379	0.811	20	30		DCEDRM
C=CCCCCn1nnnc1N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588802109	984247608	/nfs/dbraw/zinc/24/76/08/984247608.db2.gz	CBBGWBZHYAKYHC-CQSZACIVSA-N	-1	0	320.353	0.839	20	30		DCEDRM
C=CCCOCCn1nnnc1N1CCC(CC(=O)[O-])CC1	ZINC001588813636	984270119	/nfs/dbraw/zinc/27/01/19/984270119.db2.gz	YHZSHKLPZVJUBA-UHFFFAOYSA-N	-1	0	309.370	0.957	20	30		DCEDRM
C=CCCc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1	ZINC001588814902	984273871	/nfs/dbraw/zinc/27/38/71/984273871.db2.gz	XTKOMFMAYSRSDP-MFKMUULPSA-N	-1	0	313.375	0.918	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCCC[C@]2(COC)C(=O)[O-])nn1	ZINC001588817794	984278013	/nfs/dbraw/zinc/27/80/13/984278013.db2.gz	VQNKJFLCEWDMMT-HNNXBMFYSA-N	-1	0	322.365	0.950	20	30		DCEDRM
C=CCN(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[C@H](C)COC	ZINC001588820471	984283997	/nfs/dbraw/zinc/28/39/97/984283997.db2.gz	FGMCSUKHHDOMEU-IJLUTSLNSA-N	-1	0	300.355	0.709	20	30		DCEDRM
C=CCN(C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)[C@@H]1CCS(=O)(=O)C1	ZINC001588823899	984294840	/nfs/dbraw/zinc/29/48/40/984294840.db2.gz	BOLDZBXZFXXMNB-BBBLOLIVSA-N	-1	0	309.334	0.627	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001588828611	984307800	/nfs/dbraw/zinc/30/78/00/984307800.db2.gz	DKNYOUQVXQNUIZ-UHFFFAOYSA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1=O	ZINC001588836801	984330186	/nfs/dbraw/zinc/33/01/86/984330186.db2.gz	IKKXGFVDZRFTCO-LLVKDONJSA-N	-1	0	320.349	0.974	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C(=O)NCc1ccc(F)cc1)C(=O)[O-]	ZINC001588850931	984381073	/nfs/dbraw/zinc/38/10/73/984381073.db2.gz	KQDJTMWWXNNPNC-LBPRGKRZSA-N	-1	0	324.308	0.214	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)COc1c(C)occc1=O)C(=O)[O-]	ZINC001588853917	984387418	/nfs/dbraw/zinc/38/74/18/984387418.db2.gz	LKHJUTLVXQFDEC-SNVBAGLBSA-N	-1	0	311.290	0.099	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(=O)[O-]	ZINC001588855164	984391550	/nfs/dbraw/zinc/39/15/50/984391550.db2.gz	AIGCSPBOQRNXDA-STQMWFEESA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCc2nncn2CC1)C(=O)[O-]	ZINC001588855982	984395819	/nfs/dbraw/zinc/39/58/19/984395819.db2.gz	SYZPQOHKTZBEIR-GHMZBOCLSA-N	-1	0	308.338	0.003	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cn(-c2cccnc2)nn1)C(=O)[O-]	ZINC001588860131	984410664	/nfs/dbraw/zinc/41/06/64/984410664.db2.gz	JZGRSGPJBRYPJQ-GFCCVEGCSA-N	-1	0	317.305	0.048	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cn(-c2cccnc2)nn1)C(=O)[O-]	ZINC001588860132	984410685	/nfs/dbraw/zinc/41/06/85/984410685.db2.gz	JZGRSGPJBRYPJQ-LBPRGKRZSA-N	-1	0	317.305	0.048	20	30		DCEDRM
C=CCOc1ccc(CNC(=O)N2CC(O)(C(=O)[O-])C2)cc1	ZINC001588873658	984444715	/nfs/dbraw/zinc/44/47/15/984444715.db2.gz	FOILWQWAKOCSCT-UHFFFAOYSA-N	-1	0	306.318	0.592	20	30		DCEDRM
C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1OC	ZINC001588875038	984450643	/nfs/dbraw/zinc/45/06/43/984450643.db2.gz	RISLLCBKSHZBCS-RNCFNFMXSA-N	-1	0	309.318	0.824	20	30		DCEDRM
C=CCn1c([C@H](O)CC)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588896150	984499060	/nfs/dbraw/zinc/49/90/60/984499060.db2.gz	QCTSOXWCPPUMPY-QMTHXVAHSA-N	-1	0	310.354	0.587	20	30		DCEDRM
C=CCn1c([C@@H]2CC=NO2)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001588897663	984512440	/nfs/dbraw/zinc/51/24/40/984512440.db2.gz	SVIZCKAJDVIVOA-MNOVXSKESA-N	-1	0	321.337	0.591	20	30		DCEDRM
C=CCn1cc(CNC(=O)Nc2nn(C)cc2C(=O)[O-])nn1	ZINC001588908995	984540959	/nfs/dbraw/zinc/54/09/59/984540959.db2.gz	DJAJVNRDNDVTRG-UHFFFAOYSA-N	-1	0	305.298	0.218	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588917280	984565878	/nfs/dbraw/zinc/56/58/78/984565878.db2.gz	UNAZKVQYFBNQMO-ZJUUUORDSA-N	-1	0	312.347	0.792	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588917789	984566901	/nfs/dbraw/zinc/56/69/01/984566901.db2.gz	AAGMYLBDKOPHQH-AVGNSLFASA-N	-1	0	312.366	0.445	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588917822	984567570	/nfs/dbraw/zinc/56/75/70/984567570.db2.gz	BTULTDNTMNEVEW-SRVKXCTJSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588918084	984569175	/nfs/dbraw/zinc/56/91/75/984569175.db2.gz	WNSVNDAQHDKYFE-XQHKEYJVSA-N	-1	0	321.381	0.811	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC001588918061	984569209	/nfs/dbraw/zinc/56/92/09/984569209.db2.gz	UUNKAUZPLFJVKI-RHYQMDGZSA-N	-1	0	307.354	0.564	20	30		DCEDRM
C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)C#CC(C)(C)C	ZINC001599891379	984698156	/nfs/dbraw/zinc/69/81/56/984698156.db2.gz	MGMIZVNFPHGXMK-SNVBAGLBSA-N	-1	0	304.350	0.563	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001599943057	985479642	/nfs/dbraw/zinc/47/96/42/985479642.db2.gz	ZIMOYSAGOQGYEZ-NSHDSACASA-N	-1	0	307.306	0.531	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])nc2)C[C@@H](C)N1CC#N	ZINC001594493124	985609834	/nfs/dbraw/zinc/60/98/34/985609834.db2.gz	OAKQTMDNFDIMTM-GHMZBOCLSA-N	-1	0	302.334	0.838	20	30		DCEDRM
CC(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1F	ZINC001589297536	986043865	/nfs/dbraw/zinc/04/38/65/986043865.db2.gz	CPIGIWDQVIBESO-UHFFFAOYSA-N	-1	0	314.294	0.627	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001589329784	986167197	/nfs/dbraw/zinc/16/71/97/986167197.db2.gz	SJQKKAILKPGIDC-NXEZZACHSA-N	-1	0	303.322	0.159	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N(C)C1(C(=O)[O-])CCCC1	ZINC001589330333	986171206	/nfs/dbraw/zinc/17/12/06/986171206.db2.gz	AJFBWAWZAUQPNT-JTQLQIEISA-N	-1	0	303.384	0.652	20	30		DCEDRM
C[C@@H](C#N)N(C1CC1)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC001589331581	986188672	/nfs/dbraw/zinc/18/86/72/986188672.db2.gz	ISFXEUSFQCCNES-LURJTMIESA-N	-1	0	301.349	0.906	20	30		DCEDRM
C[C@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)C#CC1CC1	ZINC001594657801	986921712	/nfs/dbraw/zinc/92/17/12/986921712.db2.gz	UYNIOQVJMNTLGZ-KOLCDFICSA-N	-1	0	310.375	0.281	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001387221816	987715500	/nfs/dbraw/zinc/71/55/00/987715500.db2.gz	AIELIWWIJCOJRT-WCBMZHEXSA-N	-1	0	305.338	0.162	20	30		DCEDRM
CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1	ZINC001597646508	988666910	/nfs/dbraw/zinc/66/69/10/988666910.db2.gz	AHOZPEFCCFISEY-NXEZZACHSA-N	-1	0	303.322	0.159	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@H]1CC(=O)[O-]	ZINC001599850525	989004190	/nfs/dbraw/zinc/00/41/90/989004190.db2.gz	UEWHYCXGLVUJBO-WRWGMCAJSA-N	-1	0	307.350	0.364	20	30		DCEDRM
CCn1nccc1[C@H]1OCCC[C@H]1C=Nn1c(=O)[n-][nH]c1=O	ZINC001552451451	1015442360	/nfs/dbraw/zinc/44/23/60/1015442360.db2.gz	GKAFMMPHOCBPGS-ONGXEEELSA-N	-1	0	306.326	0.908	20	30		DCEDRM
CN(C(=O)CN(CC#N)CCC(=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC001598019309	990209294	/nfs/dbraw/zinc/20/92/94/990209294.db2.gz	UUWLQCDYHLDCLW-UHFFFAOYSA-N	-1	0	320.305	0.858	20	30		DCEDRM
CC(C)(NS(=O)(=O)c1ccc(F)cc1C#N)[C@H](O)C(=O)[O-]	ZINC001590879887	990796242	/nfs/dbraw/zinc/79/62/42/990796242.db2.gz	UOHDSZQUIBSFQL-SNVBAGLBSA-N	-1	0	316.310	0.200	20	30		DCEDRM
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC001591051782	991452758	/nfs/dbraw/zinc/45/27/58/991452758.db2.gz	HTGMABSZIBAQDS-WCQYABFASA-N	-1	0	306.318	0.523	20	30		DCEDRM
CC(C)C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H](C)C#N	ZINC001591163086	991929036	/nfs/dbraw/zinc/92/90/36/991929036.db2.gz	XZHYRMRQWUNJIE-MNOVXSKESA-N	-1	0	319.365	0.699	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NCc1ccc(C(=O)[O-])cc1F	ZINC001598469092	991996808	/nfs/dbraw/zinc/99/68/08/991996808.db2.gz	SEYZSYWITGEUBI-UHFFFAOYSA-N	-1	0	315.326	0.704	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001598469311	991999900	/nfs/dbraw/zinc/99/99/00/991999900.db2.gz	YUJNRXUZLCLEMC-DBIOUOCHSA-N	-1	0	301.368	0.166	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001598470046	992012127	/nfs/dbraw/zinc/01/21/27/992012127.db2.gz	ABZTTWODKNOBKZ-UHFFFAOYSA-N	-1	0	313.291	0.562	20	30		DCEDRM
CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccncc1C#N	ZINC001598480597	992143421	/nfs/dbraw/zinc/14/34/21/992143421.db2.gz	WXQHFECKXDSDPB-VXGBXAGGSA-N	-1	0	302.334	0.616	20	30		DCEDRM
CN1C[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCC1=O	ZINC001598567660	993161304	/nfs/dbraw/zinc/16/13/04/993161304.db2.gz	JFMSOXZKGVLBEI-SNVBAGLBSA-N	-1	0	308.338	0.007	20	30		DCEDRM
N#CCCN(Cc1cccnc1)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001464501379	1015915091	/nfs/dbraw/zinc/91/50/91/1015915091.db2.gz	AHWZZGLSBSRKPG-UHFFFAOYSA-N	-1	0	302.294	0.027	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])N1CCC(C#N)(C(=O)OC)CC1	ZINC001598698085	995175433	/nfs/dbraw/zinc/17/54/33/995175433.db2.gz	RRNJRDFUZYDWMQ-SNVBAGLBSA-N	-1	0	312.322	0.172	20	30		DCEDRM
C#CCN1CCC([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1	ZINC001464589007	1015926015	/nfs/dbraw/zinc/92/60/15/1015926015.db2.gz	HBQYQTQICNELFL-UHFFFAOYSA-N	-1	0	324.362	0.366	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001502489202	1015943175	/nfs/dbraw/zinc/94/31/75/1015943175.db2.gz	LGJPHXHUUNLXHN-CLAHSXSESA-N	-1	0	323.353	0.120	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(C#N)oc1C	ZINC001598744428	995579148	/nfs/dbraw/zinc/57/91/48/995579148.db2.gz	GZQAIQXPGIXVQL-SKDRFNHKSA-N	-1	0	320.301	0.938	20	30		DCEDRM
C[C@@H](OC(=O)CSCC#N)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001593534553	995590081	/nfs/dbraw/zinc/59/00/81/995590081.db2.gz	CSBQIDGQHWPYSO-SECBINFHSA-N	-1	0	314.363	0.498	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)cc2F)C[C@@H]1C(=O)[O-]	ZINC001598820327	996319049	/nfs/dbraw/zinc/31/90/49/996319049.db2.gz	WJIYRIADMKIXDR-WDEREUQCSA-N	-1	0	320.276	0.643	20	30		DCEDRM
C[C@@]1(C#N)CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1	ZINC001593743472	996368644	/nfs/dbraw/zinc/36/86/44/996368644.db2.gz	QACSTJUAJRRWGD-JTQLQIEISA-N	-1	0	301.349	0.766	20	30		DCEDRM
C[C@]1(C#N)CN(CC(=O)NC2(C(=O)[O-])CCCCC2)CCO1	ZINC001593743609	996369750	/nfs/dbraw/zinc/36/97/50/996369750.db2.gz	WKCZWDMWJKUDFN-AWEZNQCLSA-N	-1	0	309.366	0.505	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@@H]1C(=O)[O-]	ZINC001598826910	996393233	/nfs/dbraw/zinc/39/32/33/996393233.db2.gz	KFEQOWNEMFYUBU-NTSWFWBYSA-N	-1	0	315.738	0.978	20	30		DCEDRM
COC(=O)C[C@H](NC(=O)/C=C\C(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC001598836690	996491128	/nfs/dbraw/zinc/49/11/28/996491128.db2.gz	GMSCODYIRNVUHV-KRZKBDHCSA-N	-1	0	319.313	0.866	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1CC1	ZINC001599176784	996862150	/nfs/dbraw/zinc/86/21/50/996862150.db2.gz	COJRVJBOKQOOIG-GFCCVEGCSA-N	-1	0	324.358	0.960	20	30		DCEDRM
CC1(C)CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C[C@@H]1O	ZINC001593946449	996995559	/nfs/dbraw/zinc/99/55/59/996995559.db2.gz	FVVFIFJNPIAQCM-LBPRGKRZSA-N	-1	0	324.358	0.648	20	30		DCEDRM
C[C@]1(CCC(=O)[O-])NC(=O)N(Cc2ncc(C#N)cn2)C1=O	ZINC001594000564	997361620	/nfs/dbraw/zinc/36/16/20/997361620.db2.gz	DUFOVTLXCAXPIH-CYBMUJFWSA-N	-1	0	303.278	0.024	20	30		DCEDRM
CC1(CCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)OCCO1	ZINC001594006477	997413807	/nfs/dbraw/zinc/41/38/07/997413807.db2.gz	NLKDZYZHJHMOQV-UHFFFAOYSA-N	-1	0	311.338	0.539	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1	ZINC001502906672	1016128266	/nfs/dbraw/zinc/12/82/66/1016128266.db2.gz	PRANZBVHNYOZRG-WDEREUQCSA-N	-1	0	309.370	0.182	20	30		DCEDRM
COCC[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001599212734	997530572	/nfs/dbraw/zinc/53/05/72/997530572.db2.gz	HQKZJYTUKPDRAV-KBPBESRZSA-N	-1	0	315.329	0.846	20	30		DCEDRM
CO[C@H]1CN(C(=O)c2cc(C)c(C#N)cn2)[C@@](C)(C(=O)[O-])C1	ZINC001599129230	997909993	/nfs/dbraw/zinc/90/99/93/997909993.db2.gz	FGTVZJRAYAEJKL-IAQYHMDHSA-N	-1	0	303.318	0.966	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001599235587	997938815	/nfs/dbraw/zinc/93/88/15/997938815.db2.gz	FFBSJOZVRVZAOG-NEPJUHHUSA-N	-1	0	318.395	0.822	20	30		DCEDRM
COCC1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001467502133	1016172920	/nfs/dbraw/zinc/17/29/20/1016172920.db2.gz	KPIWPDJTAGBGKU-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
COCC#CC(=O)NC[C@H](Cc1ccccc1OC)C(=O)[O-]	ZINC001599138433	998085351	/nfs/dbraw/zinc/08/53/51/998085351.db2.gz	LNUFYPXMINOGBM-ZDUSSCGKSA-N	-1	0	305.330	0.705	20	30		DCEDRM
COCC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001599138667	998088459	/nfs/dbraw/zinc/08/84/59/998088459.db2.gz	NSHXIAUCXHOPON-XJFOESAGSA-N	-1	0	306.362	0.032	20	30		DCEDRM
C[C@H]1C(=O)N(C)S(=O)(=O)N1Cc1cccc(C(=O)[O-])c1C#N	ZINC001594130060	998337608	/nfs/dbraw/zinc/33/76/08/998337608.db2.gz	XPGJBMLVAJKUJS-QMMMGPOBSA-N	-1	0	323.330	0.164	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001599477168	998551414	/nfs/dbraw/zinc/55/14/14/998551414.db2.gz	YRZDIWKPOYDCDB-JOYOIKCWSA-N	-1	0	305.290	0.930	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1c1ccc(S(N)(=O)=O)cc1C#N	ZINC001594170773	998656016	/nfs/dbraw/zinc/65/60/16/998656016.db2.gz	KNWZRKMPEVDNRE-LDYMZIIASA-N	-1	0	309.347	0.505	20	30		DCEDRM
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C(=O)O1	ZINC001594265081	999025497	/nfs/dbraw/zinc/02/54/97/999025497.db2.gz	ZDTVVWSKWXYCPH-GMSGAONNSA-N	-1	0	324.314	0.239	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@]2(C3CCCC3)CCNC2=O)[n-]c1C#N	ZINC001469567513	1016345890	/nfs/dbraw/zinc/34/58/90/1016345890.db2.gz	RXGHWSRAIMCJOJ-HNNXBMFYSA-N	-1	0	312.333	0.788	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc(O)cc2Cl)c(=O)[n-]c1=O	ZINC001470055765	1016384805	/nfs/dbraw/zinc/38/48/05/1016384805.db2.gz	ZTNQCYRCCGZQRY-UHFFFAOYSA-N	-1	0	320.692	0.818	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NC/C=C/C2CC2)c(=O)[n-]c1=O	ZINC001470344338	1016420408	/nfs/dbraw/zinc/42/04/08/1016420408.db2.gz	UKJHYUZAGHKFNM-OWOJBTEDSA-N	-1	0	303.322	0.086	20	30		DCEDRM
CC(C)(CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)(F)F	ZINC001418951091	1000640949	/nfs/dbraw/zinc/64/09/49/1000640949.db2.gz	JNXPWKMUCUROEW-UHFFFAOYSA-N	-1	0	314.292	0.618	20	30		DCEDRM
C=C(C)C[C@H](CO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001471536055	1016598102	/nfs/dbraw/zinc/59/81/02/1016598102.db2.gz	PGGOZFMJWKAOMG-LLVKDONJSA-N	-1	0	302.338	0.132	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Nc2ccc(F)cn2)c(=O)[n-]c1=O	ZINC001425513796	1002753687	/nfs/dbraw/zinc/75/36/87/1002753687.db2.gz	COHVNUWKJRRPOY-UHFFFAOYSA-N	-1	0	318.268	0.176	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@@H]2CCCC[C@@H]2F)c(=O)[n-]c1=O	ZINC001414710279	1005387341	/nfs/dbraw/zinc/38/73/41/1005387341.db2.gz	HLGOQKCUIQIOKF-WDEREUQCSA-N	-1	0	323.328	0.400	20	30		DCEDRM
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[C@H](c2nn[nH]n2)C1	ZINC001473753262	1016966021	/nfs/dbraw/zinc/96/60/21/1016966021.db2.gz	VFIGPEZJTCNFEC-QWHCGFSZSA-N	-1	0	312.333	0.775	20	30		DCEDRM
N#Cc1ccc(F)c(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC001417553097	1005842713	/nfs/dbraw/zinc/84/27/13/1005842713.db2.gz	WZQDLPJWZODOJY-UHFFFAOYSA-N	-1	0	312.264	0.721	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@H]2CCCSC2)c(=O)[n-]c1=O	ZINC001417883486	1005915024	/nfs/dbraw/zinc/91/50/24/1005915024.db2.gz	ROECPJJZYYLMOB-JTQLQIEISA-N	-1	0	308.363	0.222	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@H]2CCCC23CC3)c(=O)[n-]c1=O	ZINC001434820208	1006011246	/nfs/dbraw/zinc/01/12/46/1006011246.db2.gz	NTJSGUWQWSJQEE-NSHDSACASA-N	-1	0	317.349	0.452	20	30		DCEDRM
C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)c2coc(C#N)c2)CC1	ZINC001574097492	1163635426	/nfs/dbraw/zinc/63/54/26/1163635426.db2.gz	NPLYQBQDAGMUJT-OAQYLSRUSA-N	-1	0	310.331	0.589	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(CCN(C)C(=O)[C@@H](C)C#N)C(C)C)c1[O-]	ZINC001452013873	1006555171	/nfs/dbraw/zinc/55/51/71/1006555171.db2.gz	JWXCZFPLZZBVDP-JTQLQIEISA-N	-1	0	321.381	0.892	20	30		DCEDRM
C=CCO[C@H]1CCN(c2nnc(-c3cc(=O)n(C)[n-]3)n2C)C1	ZINC001519900315	1017234308	/nfs/dbraw/zinc/23/43/08/1017234308.db2.gz	SSQCTBQJVOKQEE-JTQLQIEISA-N	-1	0	304.354	0.703	20	30		DCEDRM
N#Cc1cc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)c[nH]1	ZINC001437785463	1007400957	/nfs/dbraw/zinc/40/09/57/1007400957.db2.gz	QVQFUQZIETZMMT-UHFFFAOYSA-N	-1	0	315.337	0.104	20	30		DCEDRM
C=CCNC(=O)c1ccccc1NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001440868339	1008079002	/nfs/dbraw/zinc/07/90/02/1008079002.db2.gz	SNMHONKOASYNCA-UHFFFAOYSA-N	-1	0	315.289	0.451	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CCC2CCCC2)c(=O)[n-]c1=O	ZINC001453843468	1008754964	/nfs/dbraw/zinc/75/49/64/1008754964.db2.gz	OSEOYIJVOKLEAL-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H]2C[C@H]2C2CCCC2)c(=O)[n-]c1=O	ZINC001453847216	1008756919	/nfs/dbraw/zinc/75/69/19/1008756919.db2.gz	YSIVNOPLIHZVQO-STQMWFEESA-N	-1	0	316.361	0.763	20	30		DCEDRM
C[C@@H]1CCC[C@H](CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001433631570	1009021477	/nfs/dbraw/zinc/02/14/77/1009021477.db2.gz	MPZUVUHTDGEWFU-MNOVXSKESA-N	-1	0	304.350	0.763	20	30		DCEDRM
CO[C@@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)C	ZINC001433726107	1009123755	/nfs/dbraw/zinc/12/37/55/1009123755.db2.gz	QVVFMTMETKSSHM-NSHDSACASA-N	-1	0	322.365	0.388	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)c1cnn(C)c1	ZINC001433871127	1009286652	/nfs/dbraw/zinc/28/66/52/1009286652.db2.gz	SCBAHRFQQAXYRM-NSHDSACASA-N	-1	0	301.306	0.164	20	30		DCEDRM
Cc1c(C(=O)N2CC[C@H](c3nnn[n-]3)C2)cnn1CCC#N	ZINC001455130152	1009504605	/nfs/dbraw/zinc/50/46/05/1009504605.db2.gz	GVUKXMLRZUMNQL-JTQLQIEISA-N	-1	0	300.326	0.248	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2ccc(CCC(N)=O)cc2)c(C#N)c1=O	ZINC001434437396	1009953615	/nfs/dbraw/zinc/95/36/15/1009953615.db2.gz	VKQNHWMENMYISW-UHFFFAOYSA-N	-1	0	313.317	0.107	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](CCO)C2CCCCC2)c(C#N)c1=O	ZINC001458177706	1012098946	/nfs/dbraw/zinc/09/89/46/1012098946.db2.gz	DJNQJYJJJIDQPI-LBPRGKRZSA-N	-1	0	306.366	0.688	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCOc2cccc(F)c2)c(C#N)c1=O	ZINC001559066447	1012403836	/nfs/dbraw/zinc/40/38/36/1012403836.db2.gz	XLIWUDMURORBAT-UHFFFAOYSA-N	-1	0	304.281	0.575	20	30		DCEDRM
COC(=O)[C@]1(C)CCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001459954466	1012838752	/nfs/dbraw/zinc/83/87/52/1012838752.db2.gz	PTJZSUVBVGDYEN-HNNXBMFYSA-N	-1	0	315.333	0.834	20	30		DCEDRM
CN(C)c1ccc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001515429184	1017123652	/nfs/dbraw/zinc/12/36/52/1017123652.db2.gz	YUVXUHROTGSWKM-UHFFFAOYSA-N	-1	0	313.361	0.666	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(CS(C)(=O)=O)cc1	ZINC001516656470	1017153896	/nfs/dbraw/zinc/15/38/96/1017153896.db2.gz	DPJKUMDFMACNMO-ZDUSSCGKSA-N	-1	0	320.370	0.856	20	30		DCEDRM
CO[C@@H]1COCC[C@H]1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC001517369463	1017168703	/nfs/dbraw/zinc/16/87/03/1017168703.db2.gz	KYXWRBUWUKQOOO-GMXVVIOVSA-N	-1	0	305.334	0.753	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cc(C#N)c[nH]2)c1[O-]	ZINC001495955722	1018905168	/nfs/dbraw/zinc/90/51/68/1018905168.db2.gz	HOKXQWTXJZLCFL-UHFFFAOYSA-N	-1	0	316.321	0.126	20	30		DCEDRM
C=CCOCC(=O)NC[C@@H](CC)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001498966625	1019588431	/nfs/dbraw/zinc/58/84/31/1019588431.db2.gz	NISWWPLXWAQOPO-SNVBAGLBSA-N	-1	0	310.354	0.251	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CCO1	ZINC001608178730	1170610852	/nfs/dbraw/zinc/61/08/52/1170610852.db2.gz	AYIKNKYZXKUULV-MXWKQRLJSA-N	-1	0	302.352	0.184	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC001608184614	1170611839	/nfs/dbraw/zinc/61/18/39/1170611839.db2.gz	YRHABGBQZSDJOW-UHFFFAOYSA-N	-1	0	313.722	0.811	20	30		DCEDRM
CCN(C[C@@H](C)C#N)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O	ZINC001609993178	1171132296	/nfs/dbraw/zinc/13/22/96/1171132296.db2.gz	IWCWSNMVRBUBEP-IINYFYTJSA-N	-1	0	310.354	0.601	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)Nc1ccn(CCC#N)n1	ZINC001610241747	1171204944	/nfs/dbraw/zinc/20/49/44/1171204944.db2.gz	PURUBYRIANMRQW-CYBMUJFWSA-N	-1	0	309.326	0.798	20	30		DCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000172366355	198086356	/nfs/dbraw/zinc/08/63/56/198086356.db2.gz	LUVYDPLEHFQBAG-LBPRGKRZSA-N	-1	0	322.386	0.970	20	30		DCEDRM
Cn1cnnc1CNS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000156359737	291224601	/nfs/dbraw/zinc/22/46/01/291224601.db2.gz	BYICEVWEVITPDO-UHFFFAOYSA-N	-1	0	311.754	0.819	20	30		DCEDRM
CCN(C(=O)Cn1c(=O)[n-]cc(C#N)c1=O)C1CCCCC1	ZINC000566796380	291323538	/nfs/dbraw/zinc/32/35/38/291323538.db2.gz	AYXORSGPBLPVGZ-UHFFFAOYSA-N	-1	0	304.350	0.589	20	30		DCEDRM
C=CCN(CCc1ccco1)C(=O)C(=O)NCCCC(=O)[O-]	ZINC000420588436	240047248	/nfs/dbraw/zinc/04/72/48/240047248.db2.gz	HEBQBEHUUQKPNF-UHFFFAOYSA-N	-1	0	308.334	0.818	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N[C@@]2(C#N)CCOC2)c1	ZINC000424776735	240266797	/nfs/dbraw/zinc/26/67/97/240266797.db2.gz	RHXHUMGCIAGSHB-SPLOXXLWSA-N	-1	0	308.359	0.602	20	30		DCEDRM
N#Cc1cccc(/C=C/C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1	ZINC000491828148	241136382	/nfs/dbraw/zinc/13/63/82/241136382.db2.gz	NFUQAYZXJYVCNH-MUBLQREKSA-N	-1	0	306.343	0.806	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000275005554	212068186	/nfs/dbraw/zinc/06/81/86/212068186.db2.gz	MLSMMOJQIMIXTE-SECBINFHSA-N	-1	0	309.303	0.368	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(C)c1)C(=O)[O-]	ZINC000569775159	291495079	/nfs/dbraw/zinc/49/50/79/291495079.db2.gz	UVUFLIBEQKJURH-CYBMUJFWSA-N	-1	0	324.358	0.967	20	30		DCEDRM
C#CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1	ZINC000192948933	335038294	/nfs/dbraw/zinc/03/82/94/335038294.db2.gz	AVEQZNRSCRUTAH-UHFFFAOYSA-N	-1	0	320.367	0.451	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C	ZINC000263203572	285049096	/nfs/dbraw/zinc/04/90/96/285049096.db2.gz	XTUYKGQIMYFWHX-UTUOFQBUSA-N	-1	0	317.411	0.898	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cccc(OCC(N)=O)c2)[n-]c1C#N	ZINC000045579431	395764177	/nfs/dbraw/zinc/76/41/77/395764177.db2.gz	CSEGFCDZPUKJBM-UHFFFAOYSA-N	-1	0	310.273	0.269	20	30		DCEDRM
COCCOC(=O)CSCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000278377850	396121569	/nfs/dbraw/zinc/12/15/69/396121569.db2.gz	QGTYCAMSBRNNKZ-UHFFFAOYSA-N	-1	0	322.346	0.729	20	30		DCEDRM
COC(=O)CN(CC#N)C(=O)c1cc(F)c(F)c([O-])c1F	ZINC000182770314	396254311	/nfs/dbraw/zinc/25/43/11/396254311.db2.gz	SLSUWISCEMUFGF-UHFFFAOYSA-N	-1	0	302.208	0.948	20	30		DCEDRM
C[C@@](O)(CNc1ncc(Br)cc1C#N)C(=O)[O-]	ZINC000263548021	396219731	/nfs/dbraw/zinc/21/97/31/396219731.db2.gz	INULYBJRCQIJQD-SNVBAGLBSA-N	-1	0	300.112	0.963	20	30		DCEDRM
CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000287709984	396418309	/nfs/dbraw/zinc/41/83/09/396418309.db2.gz	XZTFGJGILJJTDB-NWDGAFQWSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1	ZINC000514792161	396497721	/nfs/dbraw/zinc/49/77/21/396497721.db2.gz	GNWAOSSEMZABKZ-QWRGUYRKSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C=CCC[C@H](NC(=O)Cn1nnnc1-c1ccsc1)C(=O)[O-]	ZINC000515654285	396507989	/nfs/dbraw/zinc/50/79/89/396507989.db2.gz	MAKJNSZUEZASBJ-JTQLQIEISA-N	-1	0	321.362	0.937	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2CCC[C@H](CC(=O)[O-])C2)c1	ZINC000290490764	396466619	/nfs/dbraw/zinc/46/66/19/396466619.db2.gz	GXCYKDNVUYQYMP-SNVBAGLBSA-N	-1	0	309.347	0.829	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000594572800	396487813	/nfs/dbraw/zinc/48/78/13/396487813.db2.gz	CHMYCXTZBJJOGY-NSHDSACASA-N	-1	0	318.301	0.930	20	30		DCEDRM
N#CCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1	ZINC000581109594	396526688	/nfs/dbraw/zinc/52/66/88/396526688.db2.gz	CRMAMINTSRLQGK-JQWIXIFHSA-N	-1	0	302.352	0.043	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(C)(C)[C@H]1C(=O)[O-]	ZINC000582364208	396606877	/nfs/dbraw/zinc/60/68/77/396606877.db2.gz	YCXGXZQPCNPSJB-GHMZBOCLSA-N	-1	0	317.411	0.898	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000582420950	396609738	/nfs/dbraw/zinc/60/97/38/396609738.db2.gz	PNVWXFUCICMWLU-MXWKQRLJSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cc(C)c(C(=O)OC)o1	ZINC000596036022	396710515	/nfs/dbraw/zinc/71/05/15/396710515.db2.gz	VIBIBZIFDJFITB-UHFFFAOYSA-N	-1	0	317.319	0.636	20	30		DCEDRM
CN(C)c1n[nH]c([N-]S(=O)(=O)c2cccc(CC#N)c2)n1	ZINC000589594241	396719498	/nfs/dbraw/zinc/71/94/98/396719498.db2.gz	LXLBSWZUJLWJKT-UHFFFAOYSA-N	-1	0	306.351	0.738	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000596131267	396722377	/nfs/dbraw/zinc/72/23/77/396722377.db2.gz	KXYATCGMJLCDBJ-LLVKDONJSA-N	-1	0	309.366	0.660	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000596826073	396840738	/nfs/dbraw/zinc/84/07/38/396840738.db2.gz	JHHULIWGGHLGRX-SECBINFHSA-N	-1	0	311.363	0.661	20	30		DCEDRM
Cn1cccc(N=C([O-])N2CCO[C@@]3(CCCOC3)C2)c1=O	ZINC000329355798	396842590	/nfs/dbraw/zinc/84/25/90/396842590.db2.gz	GSOPMEHLJRRWMI-HNNXBMFYSA-N	-1	0	307.350	0.812	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2COCCC2=O)c(F)c1	ZINC000625493343	396895086	/nfs/dbraw/zinc/89/50/86/396895086.db2.gz	RNPZKGYAFPKAEE-SNVBAGLBSA-N	-1	0	316.285	0.473	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N[C@@H](C(=O)[O-])C2CCOCC2)cc1	ZINC000597161234	396903042	/nfs/dbraw/zinc/90/30/42/396903042.db2.gz	KHDZZMWMLZTMOH-OAHLLOKOSA-N	-1	0	318.329	0.933	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)C[C@H]1C(=O)[O-]	ZINC000591568513	396930259	/nfs/dbraw/zinc/93/02/59/396930259.db2.gz	WPIDHDZIRBBWLW-UEKVPHQBSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1c2c(nn1C)CCCC2	ZINC000630414950	397014640	/nfs/dbraw/zinc/01/46/40/397014640.db2.gz	HVNHOCSTCBXHCN-UHFFFAOYSA-N	-1	0	313.379	0.560	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC000597794374	397103639	/nfs/dbraw/zinc/10/36/39/397103639.db2.gz	XIOIFHZXXSPKCX-DTWKUNHWSA-N	-1	0	309.347	0.462	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC000597903230	397129472	/nfs/dbraw/zinc/12/94/72/397129472.db2.gz	WNNBPBVZFRUYAB-SNVBAGLBSA-N	-1	0	323.374	0.805	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1C#N	ZINC000386708945	397289298	/nfs/dbraw/zinc/28/92/98/397289298.db2.gz	PGDKYDXJUGEMBH-CABZTGNLSA-N	-1	0	309.347	0.745	20	30		DCEDRM
CC[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602062160	397292226	/nfs/dbraw/zinc/29/22/26/397292226.db2.gz	YMGSPMWPKJCSER-LLVKDONJSA-N	-1	0	304.350	0.859	20	30		DCEDRM
Cc1ccc2c(c1)N(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)CC2	ZINC000602087596	397297060	/nfs/dbraw/zinc/29/70/60/397297060.db2.gz	YLTXFPSRUPZAHZ-UHFFFAOYSA-N	-1	0	310.313	0.718	20	30		DCEDRM
N#Cc1cn(CC(=O)N(CC2CC2)CC2CC2)c(=O)[n-]c1=O	ZINC000602101432	397300583	/nfs/dbraw/zinc/30/05/83/397300583.db2.gz	FFXWRLJNNCWNLA-UHFFFAOYSA-N	-1	0	302.334	0.469	20	30		DCEDRM
CC[C@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602101370	397300692	/nfs/dbraw/zinc/30/06/92/397300692.db2.gz	HYTNMMKUJFTYHR-NSHDSACASA-N	-1	0	304.350	0.859	20	30		DCEDRM
C[C@@H]1SCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC000602104208	397302486	/nfs/dbraw/zinc/30/24/86/397302486.db2.gz	ZFSZUDINPGJEHA-IUCAKERBSA-N	-1	0	308.363	0.173	20	30		DCEDRM
C[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H](C)S1	ZINC000602107350	397303622	/nfs/dbraw/zinc/30/36/22/397303622.db2.gz	PBYWWFIEXFLVER-IUCAKERBSA-N	-1	0	308.363	0.173	20	30		DCEDRM
CC(C)C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602111245	397305072	/nfs/dbraw/zinc/30/50/72/397305072.db2.gz	YNWBOPGOKZVROB-NSHDSACASA-N	-1	0	304.350	0.715	20	30		DCEDRM
CN(CC1=CCSC1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602185627	397336863	/nfs/dbraw/zinc/33/68/63/397336863.db2.gz	SLGYKJLAZYCYPW-UHFFFAOYSA-N	-1	0	320.374	0.342	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCCSC[C@@H](C)C(=O)[O-]	ZINC000593273743	397347410	/nfs/dbraw/zinc/34/74/10/397347410.db2.gz	NCVRVHDEMNFMKH-NXEZZACHSA-N	-1	0	323.440	0.366	20	30		DCEDRM
C=CCN(CCC#N)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599961969	397554074	/nfs/dbraw/zinc/55/40/74/397554074.db2.gz	KKWPWWYDOVXEOV-UHFFFAOYSA-N	-1	0	308.363	0.995	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)[O-])nn1	ZINC000579130658	397528521	/nfs/dbraw/zinc/52/85/21/397528521.db2.gz	QUWXXXKBPBIYBJ-ZYHUDNBSSA-N	-1	0	308.338	0.558	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000599939072	397545320	/nfs/dbraw/zinc/54/53/20/397545320.db2.gz	GODIBDXFXBZBLN-MNOVXSKESA-N	-1	0	314.407	0.591	20	30		DCEDRM
N#Cc1cccc(OCCCCC(=O)NCc2nnn[n-]2)c1	ZINC000609532737	397780333	/nfs/dbraw/zinc/78/03/33/397780333.db2.gz	PUPWXHCHNIEZEZ-UHFFFAOYSA-N	-1	0	300.322	0.937	20	30		DCEDRM
C[C@](CO)(CNS(=O)(=O)c1ccc(C#N)cc1)CC(=O)[O-]	ZINC000275747260	158921793	/nfs/dbraw/zinc/92/17/93/158921793.db2.gz	QKYBULDRIOHRDV-CYBMUJFWSA-N	-1	0	312.347	0.310	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@]23CCOC3)c1	ZINC000408476974	160116978	/nfs/dbraw/zinc/11/69/78/160116978.db2.gz	NCGULMSNICIIRO-OCCSQVGLSA-N	-1	0	306.343	0.790	20	30		DCEDRM
C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)O1	ZINC000408484241	160118256	/nfs/dbraw/zinc/11/82/56/160118256.db2.gz	DTZHGPBZJVHQAC-LNLATYFQSA-N	-1	0	309.347	0.572	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2cc(C#N)ccn2)cc1C(N)=O	ZINC000352858913	415348513	/nfs/dbraw/zinc/34/85/13/415348513.db2.gz	ONRKFNADWIQEMB-UHFFFAOYSA-N	-1	0	305.319	0.191	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2c[nH]c3ncccc23)n1	ZINC000123327217	415842921	/nfs/dbraw/zinc/84/29/21/415842921.db2.gz	LJACTUSBVVVOBH-UHFFFAOYSA-N	-1	0	302.319	0.969	20	30		DCEDRM
CCN(CC#N)S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000355409643	415862390	/nfs/dbraw/zinc/86/23/90/415862390.db2.gz	MOAMZZJHVSDSCQ-UHFFFAOYSA-N	-1	0	312.347	0.993	20	30		DCEDRM
CNS(=O)(=O)c1cc(NC(=O)c2cc(C#N)c[nH]2)ccc1[O-]	ZINC000357345553	416064152	/nfs/dbraw/zinc/06/41/52/416064152.db2.gz	JXIZRWVLDNYTPZ-UHFFFAOYSA-N	-1	0	320.330	0.752	20	30		DCEDRM
Cn1nc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1OC(F)F	ZINC000345256693	416068034	/nfs/dbraw/zinc/06/80/34/416068034.db2.gz	SIYJOCXIMBIWNK-UHFFFAOYSA-N	-1	0	307.220	0.740	20	30		DCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000357369883	416068958	/nfs/dbraw/zinc/06/89/58/416068958.db2.gz	KWLNAQGCVCCAQC-UHFFFAOYSA-N	-1	0	302.319	0.842	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C	ZINC000263106322	416337457	/nfs/dbraw/zinc/33/74/57/416337457.db2.gz	KOVGAUWOJWGMGO-VWYCJHECSA-N	-1	0	303.384	0.508	20	30		DCEDRM
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1C#N	ZINC000422648544	416443851	/nfs/dbraw/zinc/44/38/51/416443851.db2.gz	FGAOZQSQPPNOIH-SECBINFHSA-N	-1	0	319.317	0.873	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])ccc1C#N	ZINC000424437412	416644645	/nfs/dbraw/zinc/64/46/45/416644645.db2.gz	NXXLENWCKHJNFQ-UHFFFAOYSA-N	-1	0	318.333	0.817	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424489327	416656736	/nfs/dbraw/zinc/65/67/36/416656736.db2.gz	PZQZFEXGXTYWNQ-QWRGUYRKSA-N	-1	0	312.366	0.311	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1cccc(NC(C)=O)c1)C(=O)[O-]	ZINC000425250977	416689242	/nfs/dbraw/zinc/68/92/42/416689242.db2.gz	GOLIKZWTCMHSOR-CQSZACIVSA-N	-1	0	320.345	0.960	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000564089735	416889137	/nfs/dbraw/zinc/88/91/37/416889137.db2.gz	QBGITNIJGMXXMR-NKWVEPMBSA-N	-1	0	317.289	0.318	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cnc1C	ZINC000427787939	416847503	/nfs/dbraw/zinc/84/75/03/416847503.db2.gz	KGVJEVKNKVKLJO-UHFFFAOYSA-N	-1	0	321.318	0.572	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC(=O)[O-])CC(C)C	ZINC000565055471	416917995	/nfs/dbraw/zinc/91/79/95/416917995.db2.gz	RAGBDDNGELCUDE-NSHDSACASA-N	-1	0	305.400	0.755	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N(CC(=O)[O-])CC(C)C	ZINC000519609174	416923908	/nfs/dbraw/zinc/92/39/08/416923908.db2.gz	SFKWABACVCGRFD-UHFFFAOYSA-N	-1	0	321.399	0.136	20	30		DCEDRM
N#CCc1ccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC000568089348	417079661	/nfs/dbraw/zinc/07/96/61/417079661.db2.gz	SFVPRESWEJVGDU-ZDUSSCGKSA-N	-1	0	315.329	0.302	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)CCC1CCOCC1)C(=O)[O-]	ZINC000570799173	417392940	/nfs/dbraw/zinc/39/29/40/417392940.db2.gz	QZDLVIHYBCLOPU-GFCCVEGCSA-N	-1	0	321.395	0.378	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Cn2ccnn2)cc1	ZINC000528921118	417401895	/nfs/dbraw/zinc/40/18/95/417401895.db2.gz	TVZZMXKHGJWZLS-CQSZACIVSA-N	-1	0	309.329	0.927	20	30		DCEDRM
CCOC(=O)c1cc(NC(=O)Cc2noc(C)c2C#N)[nH]n1	ZINC000574714520	417488826	/nfs/dbraw/zinc/48/88/26/417488826.db2.gz	KJGCTPIRFVUKKC-UHFFFAOYSA-N	-1	0	303.278	0.936	20	30		DCEDRM
N#C[C@H]1COCCN1C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000530880884	417596054	/nfs/dbraw/zinc/59/60/54/417596054.db2.gz	OTWQLYKDNPTURA-NSHDSACASA-N	-1	0	300.274	0.394	20	30		DCEDRM
C=CCNc1ncc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1	ZINC000659779405	418181399	/nfs/dbraw/zinc/18/13/99/418181399.db2.gz	AJHLLVXFXHSBQN-YMTOWFKASA-N	-1	0	323.374	0.914	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)c1ccccc1[N-]S(=O)(=O)CC	ZINC000649189068	418206786	/nfs/dbraw/zinc/20/67/86/418206786.db2.gz	XYCKYJAYVUZJMW-LBPRGKRZSA-N	-1	0	324.402	0.952	20	30		DCEDRM
C=CCn1cc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)nn1	ZINC000649249245	418214712	/nfs/dbraw/zinc/21/47/12/418214712.db2.gz	ZWUCJBOFZJTYJI-UHFFFAOYSA-N	-1	0	304.310	0.733	20	30		DCEDRM
C=CCOCCNC(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000649527670	418258666	/nfs/dbraw/zinc/25/86/66/418258666.db2.gz	POPZZUXNTNYPAI-NSHDSACASA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCOCCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000656595388	418365278	/nfs/dbraw/zinc/36/52/78/418365278.db2.gz	IZMLOXGMFGZSPZ-NEPJUHHUSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCCc1cncc(C)n1)C(=O)[O-]	ZINC000656599009	418366368	/nfs/dbraw/zinc/36/63/68/418366368.db2.gz	LWZPSEGHCYBISH-LBPRGKRZSA-N	-1	0	308.338	0.283	20	30		DCEDRM
C=CCC1(NS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCOCC1	ZINC000656721311	418372198	/nfs/dbraw/zinc/37/21/98/418372198.db2.gz	LCGGRTWRLVHAQE-LLVKDONJSA-N	-1	0	318.395	0.495	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2nnc3ccccn32)c1	ZINC000357396669	261535898	/nfs/dbraw/zinc/53/58/98/261535898.db2.gz	ZVBWWTSNSUYVQT-UHFFFAOYSA-N	-1	0	300.303	0.797	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2nc[nH]n2)cc1C#N	ZINC001649744379	1173195533	/nfs/dbraw/zinc/19/55/33/1173195533.db2.gz	LGMGCEJWWGRMDZ-ZCFIWIBFSA-N	-1	0	304.335	0.990	20	30		DCEDRM
C[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000355048998	267178312	/nfs/dbraw/zinc/17/83/12/267178312.db2.gz	LONQPHNJJQMVSX-VIFPVBQESA-N	-1	0	308.301	0.910	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](CC2CCC2)C(=O)[O-])cn1	ZINC000530472823	268257955	/nfs/dbraw/zinc/25/79/55/268257955.db2.gz	SHXBHCBBDCGPOB-LBPRGKRZSA-N	-1	0	309.347	0.875	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C/c1cccc(C#N)c1	ZINC000493125982	272169545	/nfs/dbraw/zinc/16/95/45/272169545.db2.gz	YHQZQTTYRQKLED-AATRIKPKSA-N	-1	0	321.358	0.154	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)/C=C/c2ccc[nH]2)c1	ZINC000493523889	272194249	/nfs/dbraw/zinc/19/42/49/272194249.db2.gz	OSJAFOAFTAMFLL-ONEGZZNKSA-N	-1	0	302.315	0.800	20	30		DCEDRM
N#Cc1cccc(CN(CC(=O)[O-])S(=O)(=O)NC2CC2)c1	ZINC000547922763	288092627	/nfs/dbraw/zinc/09/26/27/288092627.db2.gz	MHJGKXWVFDAXMZ-UHFFFAOYSA-N	-1	0	309.347	0.442	20	30		DCEDRM
C[C@H]1CCC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)nc1	ZINC000275207973	299865865	/nfs/dbraw/zinc/86/58/65/299865865.db2.gz	ZODZIESSWFKYFN-CABZTGNLSA-N	-1	0	309.347	0.970	20	30		DCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)CCOC(F)(F)F	ZINC000556714323	331727036	/nfs/dbraw/zinc/72/70/36/331727036.db2.gz	BQMQLLNCZQYIDY-SSDOTTSWSA-N	-1	0	305.274	0.862	20	30		DCEDRM
C=CCCS(=O)(=O)N1CC[C@H]([C@H]2CCCO2)[C@@H]1C(=O)[O-]	ZINC000560480041	332344268	/nfs/dbraw/zinc/34/42/68/332344268.db2.gz	LXRNTPUUOWXDFO-IJLUTSLNSA-N	-1	0	303.380	0.846	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)CCC1CCOCC1)C(=O)[O-]	ZINC000562390878	332587577	/nfs/dbraw/zinc/58/75/77/332587577.db2.gz	LXIGFBSBFCMGOV-LBPRGKRZSA-N	-1	0	303.380	0.589	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccc(C)s1)C(=O)[O-]	ZINC000580323428	333163827	/nfs/dbraw/zinc/16/38/27/333163827.db2.gz	YBIJSFRKIVPJBQ-VIFPVBQESA-N	-1	0	305.377	0.991	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](CC)NC(=O)OC(C)(C)C	ZINC000497206879	333221544	/nfs/dbraw/zinc/22/15/44/333221544.db2.gz	FBJPEUMPTDQYIV-JTQLQIEISA-N	-1	0	318.395	0.759	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CCCNC1=O	ZINC000330687258	334799815	/nfs/dbraw/zinc/79/98/15/334799815.db2.gz	BSDYXTJLMHRBQN-LLVKDONJSA-N	-1	0	311.363	0.641	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@@H]1CNC(=O)C1	ZINC000330734129	334810631	/nfs/dbraw/zinc/81/06/31/334810631.db2.gz	LFZDSRMISGRRHM-QMMMGPOBSA-N	-1	0	315.326	0.390	20	30		DCEDRM
O=C(N=c1cn[n-]s1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000330017232	336106243	/nfs/dbraw/zinc/10/62/43/336106243.db2.gz	QSPUHENCXFHXGI-VIFPVBQESA-N	-1	0	311.367	0.407	20	30		DCEDRM
CC(C)[C@@H](NC(=O)N=c1cn[n-]s1)C(=O)N1CCOCC1	ZINC000330261837	336130877	/nfs/dbraw/zinc/13/08/77/336130877.db2.gz	PLALMODCZRAPAP-SNVBAGLBSA-N	-1	0	313.383	0.557	20	30		DCEDRM
CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC(O)(CC#N)C1	ZINC000331918890	336153069	/nfs/dbraw/zinc/15/30/69/336153069.db2.gz	HAKLESXDMWEYLN-UHFFFAOYSA-N	-1	0	323.374	0.549	20	30		DCEDRM
CNS(=O)(=O)c1cc(NC(=O)C2(C#N)CCC2)ccc1[O-]	ZINC000332420681	336171608	/nfs/dbraw/zinc/17/16/08/336171608.db2.gz	FLNNHFVYKWPVMR-UHFFFAOYSA-N	-1	0	309.347	0.933	20	30		DCEDRM
CCOC[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000583056580	337229762	/nfs/dbraw/zinc/22/97/62/337229762.db2.gz	OXWYYIXPZJKNHL-NSHDSACASA-N	-1	0	318.395	0.870	20	30		DCEDRM
CC1(C)CN(S(=O)(=O)CC2(CC#N)CC2)[C@H](C(=O)[O-])CO1	ZINC000583325678	337316360	/nfs/dbraw/zinc/31/63/60/337316360.db2.gz	VONRYBAMYURMSW-JTQLQIEISA-N	-1	0	316.379	0.574	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F	ZINC000490914912	339843573	/nfs/dbraw/zinc/84/35/73/339843573.db2.gz	KASYFIMZNJGYHV-UHFFFAOYSA-N	-1	0	310.306	0.980	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000491494052	339864120	/nfs/dbraw/zinc/86/41/20/339864120.db2.gz	AQZSNUTZYYWWNV-ZJUUUORDSA-N	-1	0	306.284	0.550	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)nc1	ZINC000491636147	339870026	/nfs/dbraw/zinc/87/00/26/339870026.db2.gz	WZKYQAJMJQIPCH-YPMHNXCESA-N	-1	0	301.346	0.992	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000128860791	340924365	/nfs/dbraw/zinc/92/43/65/340924365.db2.gz	RORMSLHZVRHWQV-UHFFFAOYSA-N	-1	0	316.321	0.336	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1sccc1OC)C(=O)[O-]	ZINC000541931063	340990104	/nfs/dbraw/zinc/99/01/04/340990104.db2.gz	NPYIEQXCEOUVBJ-QMMMGPOBSA-N	-1	0	303.361	0.902	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000543788183	341058758	/nfs/dbraw/zinc/05/87/58/341058758.db2.gz	UADVKUGEEOPGCV-ZDUSSCGKSA-N	-1	0	324.333	0.983	20	30		DCEDRM
C[C@@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1	ZINC000547917837	341239182	/nfs/dbraw/zinc/23/91/82/341239182.db2.gz	YAJFLBVPWXCRJI-NWDGAFQWSA-N	-1	0	317.411	0.899	20	30		DCEDRM
CCCSC[C@@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000548240410	341252988	/nfs/dbraw/zinc/25/29/88/341252988.db2.gz	BSFYOIOMSZKDCU-SECBINFHSA-N	-1	0	306.409	0.806	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N1CCc2ccccc2C1	ZINC000092464051	341448143	/nfs/dbraw/zinc/44/81/43/341448143.db2.gz	ZJIWQFNVOYQYNW-UHFFFAOYSA-N	-1	0	310.375	0.862	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCn2cccc2[C@@H]1C(=O)[O-]	ZINC000565594831	341532143	/nfs/dbraw/zinc/53/21/43/341532143.db2.gz	ZYKKUEMKEMAHPA-LLVKDONJSA-N	-1	0	312.351	0.020	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000568872219	341683962	/nfs/dbraw/zinc/68/39/62/341683962.db2.gz	WJNMQGFPOLADBA-LLVKDONJSA-N	-1	0	310.331	0.227	20	30		DCEDRM
C=CCN(C(=O)CSCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000575369442	341795382	/nfs/dbraw/zinc/79/53/82/341795382.db2.gz	RBNMDIDTQVIDMS-SECBINFHSA-N	-1	0	307.393	0.006	20	30		DCEDRM
C=C(C)CS(=O)(=O)NCCc1nc(CC(=O)[O-])cs1	ZINC000576283714	341838107	/nfs/dbraw/zinc/83/81/07/341838107.db2.gz	ZCTMYGDQTQQOJC-UHFFFAOYSA-N	-1	0	304.393	0.808	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CC1	ZINC000274872906	534563006	/nfs/dbraw/zinc/56/30/06/534563006.db2.gz	AXVNQHWMJKZDRC-LBPRGKRZSA-N	-1	0	324.358	0.611	20	30		DCEDRM
N#CCCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000273565187	534614184	/nfs/dbraw/zinc/61/41/84/534614184.db2.gz	NPFYBLYUTYJYSB-UHFFFAOYSA-N	-1	0	309.307	0.018	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCOCCO)c(F)c1	ZINC000158109622	526557167	/nfs/dbraw/zinc/55/71/67/526557167.db2.gz	LBZSPRAJEFNIGB-UHFFFAOYSA-N	-1	0	306.290	0.124	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000262923844	526786633	/nfs/dbraw/zinc/78/66/33/526786633.db2.gz	GLWFMESKKLEGRY-LLVKDONJSA-N	-1	0	323.305	0.779	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)C(=O)[O-]	ZINC000263040883	526787849	/nfs/dbraw/zinc/78/78/49/526787849.db2.gz	PGJJZGRNVKHMHB-ZYHUDNBSSA-N	-1	0	312.366	0.453	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)NC(=O)C1CCCC1)C(=O)[O-]	ZINC000263040874	526788538	/nfs/dbraw/zinc/78/85/38/526788538.db2.gz	PGJJZGRNVKHMHB-CMPLNLGQSA-N	-1	0	312.366	0.453	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)[O-]	ZINC000263176001	526789572	/nfs/dbraw/zinc/78/95/72/526789572.db2.gz	ZFIMZRHASCIZOI-ZWNOBZJWSA-N	-1	0	307.302	0.598	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCNC(=O)C(C)(C)C)C(=O)[O-]	ZINC000262874625	526803620	/nfs/dbraw/zinc/80/36/20/526803620.db2.gz	BREMMRCVFCKHTK-JTQLQIEISA-N	-1	0	300.355	0.311	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)[O-]	ZINC000262878775	526805186	/nfs/dbraw/zinc/80/51/86/526805186.db2.gz	BXWPTGCJPLJSAH-YPMHNXCESA-N	-1	0	324.377	0.550	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C)C(=O)[O-]	ZINC000262873405	526806861	/nfs/dbraw/zinc/80/68/61/526806861.db2.gz	BNZCLZALSJRYEX-COPLHBTASA-N	-1	0	321.329	0.987	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnc(C(F)(F)F)nc1)C(=O)[O-]	ZINC000262899205	526809657	/nfs/dbraw/zinc/80/96/57/526809657.db2.gz	DNAJQGZAULWNFH-QMMMGPOBSA-N	-1	0	319.239	0.881	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)CC1CCOCC1)C(=O)OC	ZINC000360601941	526810470	/nfs/dbraw/zinc/81/04/70/526810470.db2.gz	YYUVWKWFNQEFQC-LBPRGKRZSA-N	-1	0	321.395	0.077	20	30		DCEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CC(=O)[O-])c1	ZINC000263167095	527057858	/nfs/dbraw/zinc/05/78/58/527057858.db2.gz	QGORUZKIKWSBAX-JTQLQIEISA-N	-1	0	324.358	0.191	20	30		DCEDRM
CCCC[C@@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)[O-]	ZINC000263537429	528857378	/nfs/dbraw/zinc/85/73/78/528857378.db2.gz	AFOLVINRVSFORU-GHMZBOCLSA-N	-1	0	305.400	0.946	20	30		DCEDRM
N#C[C@@H](C(=O)CSCC(=O)[O-])C(=O)NCc1ccccc1	ZINC000740302566	597106075	/nfs/dbraw/zinc/10/60/75/597106075.db2.gz	AVBRHFOPYUPMCF-NSHDSACASA-N	-1	0	306.343	0.829	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)NCCCC(=O)[O-])c1	ZINC000817675251	597287213	/nfs/dbraw/zinc/28/72/13/597287213.db2.gz	GDOQTSANOWGMBO-UHFFFAOYSA-N	-1	0	303.318	0.770	20	30		DCEDRM
COCC#CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000820703194	597501714	/nfs/dbraw/zinc/50/17/14/597501714.db2.gz	QWOAOBJCVFIZSO-CQSZACIVSA-N	-1	0	316.313	0.899	20	30		DCEDRM
Cc1cc(CN2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)no1	ZINC000820976563	597629443	/nfs/dbraw/zinc/62/94/43/597629443.db2.gz	JMLYFQAYSXPNIW-OAHLLOKOSA-N	-1	0	320.349	0.632	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(CC(F)(F)F)C1	ZINC000819821792	597639039	/nfs/dbraw/zinc/63/90/39/597639039.db2.gz	JULQGSBSHDOFKA-GZMMTYOYSA-N	-1	0	307.272	0.744	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCN(c2cccnn2)C1	ZINC000819822510	597648322	/nfs/dbraw/zinc/64/83/22/597648322.db2.gz	OMUGSMPGVTVJPJ-NHYWBVRUSA-N	-1	0	317.349	0.566	20	30		DCEDRM
C[C@@H]1CN=C(N2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)S1	ZINC000820251951	597650328	/nfs/dbraw/zinc/65/03/28/597650328.db2.gz	SJYMYDQGWJHYAG-YGRLFVJLSA-N	-1	0	324.406	0.626	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@]1(O)CCc2ccccc21	ZINC000819835851	597658823	/nfs/dbraw/zinc/65/88/23/597658823.db2.gz	YGKTUYKSOJJIMD-JKSUJKDBSA-N	-1	0	302.330	0.941	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCN1C[C@@H](C)O	ZINC000820296916	597663256	/nfs/dbraw/zinc/66/32/56/597663256.db2.gz	FSWZNAKYCRENMT-LALPHHSUSA-N	-1	0	311.382	0.295	20	30		DCEDRM
COC(=O)C1(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCOCC1	ZINC000820653563	597712999	/nfs/dbraw/zinc/71/29/99/597712999.db2.gz	MISQHWVFAKWUDY-ZDUSSCGKSA-N	-1	0	312.322	0.077	20	30		DCEDRM
N#Cc1c(F)cccc1-n1ccc(NCC(=O)NCC(=O)[O-])n1	ZINC000821324767	597750040	/nfs/dbraw/zinc/75/00/40/597750040.db2.gz	MYSGRAAAZWQRGR-UHFFFAOYSA-N	-1	0	317.280	0.496	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)NCCCCC(=O)[O-])CC1	ZINC000819700725	598167642	/nfs/dbraw/zinc/16/76/42/598167642.db2.gz	GESGBDSYILOCQP-UHFFFAOYSA-N	-1	0	309.366	0.412	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1	ZINC000821329813	598208203	/nfs/dbraw/zinc/20/82/03/598208203.db2.gz	LXWNTFMBMZYWIH-GFCCVEGCSA-N	-1	0	301.302	0.364	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000819823047	598221464	/nfs/dbraw/zinc/22/14/64/598221464.db2.gz	RKUMERXAKYKREB-OAHLLOKOSA-N	-1	0	319.317	0.569	20	30		DCEDRM
Cn1nnnc1-c1cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000821315405	598223287	/nfs/dbraw/zinc/22/32/87/598223287.db2.gz	RRAANMHIGJHMPF-AWEZNQCLSA-N	-1	0	314.305	0.820	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)OCC(=O)N2	ZINC000819856503	598224673	/nfs/dbraw/zinc/22/46/73/598224673.db2.gz	JBBYNUCVZDEPDB-AWEZNQCLSA-N	-1	0	303.274	0.961	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cnn(CC(=O)NC2CC2)c1	ZINC000819856714	598224753	/nfs/dbraw/zinc/22/47/53/598224753.db2.gz	MILDRXKBURBALX-AWEZNQCLSA-N	-1	0	319.321	0.105	20	30		DCEDRM
CCCC(=O)N[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820297070	598226149	/nfs/dbraw/zinc/22/61/49/598226149.db2.gz	LCBOTAZXOLHDBP-ABAIWWIYSA-N	-1	0	309.366	0.898	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(c2ccccc2)C1=O	ZINC000819834253	598227165	/nfs/dbraw/zinc/22/71/65/598227165.db2.gz	MFQRFZQZQRHDRU-LRDDRELGSA-N	-1	0	315.329	0.913	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCS(=O)(=O)c1ccccc1	ZINC000819841616	598228105	/nfs/dbraw/zinc/22/81/05/598228105.db2.gz	BTOHUTKXDYMEQC-AWEZNQCLSA-N	-1	0	324.358	0.581	20	30		DCEDRM
COCCc1noc(CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000820738466	598230311	/nfs/dbraw/zinc/23/03/11/598230311.db2.gz	DMHYEUNSRPWWPM-ZDUSSCGKSA-N	-1	0	310.310	0.221	20	30		DCEDRM
C=CCOc1ccc(/C=C\C(=O)N[C@H](CO)C(=O)[O-])cc1OC	ZINC000736114279	599743439	/nfs/dbraw/zinc/74/34/39/599743439.db2.gz	RGQXVJSDYCOGCC-SMYYYNMVSA-N	-1	0	321.329	0.835	20	30		DCEDRM
N#C[C@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000739069849	599956194	/nfs/dbraw/zinc/95/61/94/599956194.db2.gz	ULFYRCUNTSMEQT-QMMMGPOBSA-N	-1	0	322.233	0.930	20	30		DCEDRM
CN(C(=O)CN1CCO[C@@H](C#N)C1)c1ccccc1C(=O)[O-]	ZINC000737323313	599992927	/nfs/dbraw/zinc/99/29/27/599992927.db2.gz	WOUXGOQHEZFTME-NSHDSACASA-N	-1	0	303.318	0.572	20	30		DCEDRM
Cc1nn(CCC(=O)[O-])c(C)c1C=NNS(=O)(=O)C(C)C	ZINC000738923399	600006230	/nfs/dbraw/zinc/00/62/30/600006230.db2.gz	VGRWHCPOJYQXNU-UHFFFAOYSA-N	-1	0	316.383	0.636	20	30		DCEDRM
COCCNC(=O)[C@@H](C#N)C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000737814454	600099109	/nfs/dbraw/zinc/09/91/09/600099109.db2.gz	JBYKTWZARDKLND-ZDUSSCGKSA-N	-1	0	318.329	0.789	20	30		DCEDRM
Cc1[nH]c(C(=O)Cn2ccc(C=NO)nc2=O)c(C)c1C(=O)[O-]	ZINC000738153837	600207190	/nfs/dbraw/zinc/20/71/90/600207190.db2.gz	CCPADUSDAAOMBA-UHFFFAOYSA-N	-1	0	318.289	0.577	20	30		DCEDRM
CCO[C@@H](C)c1noc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)n1	ZINC000737157902	600245869	/nfs/dbraw/zinc/24/58/69/600245869.db2.gz	OWDUCLPTNMYPTI-QMMMGPOBSA-N	-1	0	318.289	0.947	20	30		DCEDRM
O=C([O-])C1(NC(=O)CCNC(=O)C2N=CC=CC2=O)CCCC1	ZINC000739249450	600388332	/nfs/dbraw/zinc/38/83/32/600388332.db2.gz	WPJHSINESXEFIT-SEYXRHQNSA-N	-1	0	321.333	0.417	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc(N2CCCC2=O)c1	ZINC000739087036	600401458	/nfs/dbraw/zinc/40/14/58/600401458.db2.gz	KAANBUJUEFPDMW-UHFFFAOYSA-N	-1	0	301.302	0.864	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCCn1c(=O)oc2ccccc21	ZINC000739076579	600404268	/nfs/dbraw/zinc/40/42/68/600404268.db2.gz	AKRAHAWJJRLYEL-UHFFFAOYSA-N	-1	0	317.301	0.811	20	30		DCEDRM
Cc1nn(CCC(=O)N(CC#N)CC(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000738921266	600407290	/nfs/dbraw/zinc/40/72/90/600407290.db2.gz	GKHPMKLUDBEMHH-UHFFFAOYSA-N	-1	0	309.282	0.235	20	30		DCEDRM
COc1cccc2c1OCC(C(=O)N(CC#N)CC(=O)[O-])=C2	ZINC000738113112	600408761	/nfs/dbraw/zinc/40/87/61/600408761.db2.gz	VVGCXZXXFLUAPC-UHFFFAOYSA-N	-1	0	302.286	0.908	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CCN1Cc1ccccc1	ZINC000739070351	600413197	/nfs/dbraw/zinc/41/31/97/600413197.db2.gz	ZLNJRMBUIWFXDS-RBSFLKMASA-N	-1	0	313.357	0.944	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])n2)CCN1C1CC1	ZINC000739068225	600461472	/nfs/dbraw/zinc/46/14/72/600461472.db2.gz	CLKPYIOSULVITA-LLVKDONJSA-N	-1	0	300.318	0.592	20	30		DCEDRM
C#CCCNC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1	ZINC000736076204	600636001	/nfs/dbraw/zinc/63/60/01/600636001.db2.gz	BVHRKBVQIFDJCV-UHFFFAOYSA-N	-1	0	313.313	0.546	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000826256928	607460400	/nfs/dbraw/zinc/46/04/00/607460400.db2.gz	GRWJNSVBZLRPSB-UHFFFAOYSA-N	-1	0	319.288	0.894	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[nH]n2)cc1	ZINC000826385922	607461022	/nfs/dbraw/zinc/46/10/22/607461022.db2.gz	HOGYKPWDASFFJO-UHFFFAOYSA-N	-1	0	316.306	0.262	20	30		DCEDRM
C=CCN(CC(=O)OCC)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000825681563	600726317	/nfs/dbraw/zinc/72/63/17/600726317.db2.gz	BZZVSWDADYCJHL-UHFFFAOYSA-N	-1	0	316.335	0.453	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C(=O)Nc2sccc2C(=O)[O-])CCO1	ZINC000833062244	600889894	/nfs/dbraw/zinc/88/98/94/600889894.db2.gz	KCZXMXMYJWHQBO-SSDOTTSWSA-N	-1	0	309.303	0.136	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000755859335	600913098	/nfs/dbraw/zinc/91/30/98/600913098.db2.gz	GEAKSDOUUQPVTM-YBUGYWGYSA-N	-1	0	323.349	0.518	20	30		DCEDRM
CN(C)C(=O)c1cccc(NC(=O)CN(CC#N)CC(=O)[O-])c1	ZINC000830574766	601003751	/nfs/dbraw/zinc/00/37/51/601003751.db2.gz	ALWNMEWIUSECNW-UHFFFAOYSA-N	-1	0	318.333	0.237	20	30		DCEDRM
COC(=O)CN(CC#N)CC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000831163643	601004990	/nfs/dbraw/zinc/00/49/90/601004990.db2.gz	CJERDAZBTUBMLT-UHFFFAOYSA-N	-1	0	319.317	0.630	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCSC[C@H]1CC(=O)[O-]	ZINC000826677618	601026050	/nfs/dbraw/zinc/02/60/50/601026050.db2.gz	WBEUYAMQGVFBBI-BXUZGUMPSA-N	-1	0	313.423	0.933	20	30		DCEDRM
N#CCN1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1	ZINC000833067716	601073183	/nfs/dbraw/zinc/07/31/83/601073183.db2.gz	ZERPCDNLDDRNFB-UHFFFAOYSA-N	-1	0	303.318	0.431	20	30		DCEDRM
N#CCc1ccc(OC[C@H](O)CN(CC#N)CC(=O)[O-])cc1	ZINC000833069180	601242445	/nfs/dbraw/zinc/24/24/45/601242445.db2.gz	OECOSAQETNHILF-CYBMUJFWSA-N	-1	0	303.318	0.403	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cc1	ZINC000831585251	601266348	/nfs/dbraw/zinc/26/63/48/601266348.db2.gz	KYNGBNOYQAQTDI-ZDUSSCGKSA-N	-1	0	312.347	0.716	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cc1	ZINC000831585173	601266436	/nfs/dbraw/zinc/26/64/36/601266436.db2.gz	KYNGBNOYQAQTDI-CYBMUJFWSA-N	-1	0	312.347	0.716	20	30		DCEDRM
CC(=O)NC[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC000825875663	601318099	/nfs/dbraw/zinc/31/80/99/601318099.db2.gz	IPPXEMYPOXYEJW-CABCVRRESA-N	-1	0	317.345	0.521	20	30		DCEDRM
NC(=NOCC(=O)N1CCC(C(=O)[O-])CC1)c1cccs1	ZINC000833079794	601332129	/nfs/dbraw/zinc/33/21/29/601332129.db2.gz	ZGPPLKYUKWLXEX-UHFFFAOYSA-N	-1	0	311.363	0.708	20	30		DCEDRM
CN1C[C@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1=O	ZINC000830913852	601348486	/nfs/dbraw/zinc/34/84/86/601348486.db2.gz	XDJSGPDRMIMTKQ-DGCLKSJQSA-N	-1	0	302.286	0.705	20	30		DCEDRM
C[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)S(C)(=O)=O	ZINC000826061170	601348944	/nfs/dbraw/zinc/34/89/44/601348944.db2.gz	CFEGPOXWLXRSFG-KWQFWETISA-N	-1	0	311.315	0.660	20	30		DCEDRM
C#CCN1CCN(C(=O)CNc2cccc(C(=O)[O-])c2)CC1	ZINC000825619465	601403608	/nfs/dbraw/zinc/40/36/08/601403608.db2.gz	MZLKQJKKQZSYLC-UHFFFAOYSA-N	-1	0	301.346	0.574	20	30		DCEDRM
N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NCC(=O)[O-]	ZINC000821320004	601429285	/nfs/dbraw/zinc/42/92/85/601429285.db2.gz	FQVWMBOMCBNFJP-KGLIPLIRSA-N	-1	0	301.346	0.959	20	30		DCEDRM
CC(C)C[C@H](NC(=O)COC(=O)c1cc(C#N)c[nH]1)C(=O)[O-]	ZINC000826793126	601430675	/nfs/dbraw/zinc/43/06/75/601430675.db2.gz	LCKOKQBNTNIWOR-JTQLQIEISA-N	-1	0	307.306	0.659	20	30		DCEDRM
C#CCN1CCN(C(=O)CNc2cccc(C(=O)[O-])c2C)CC1	ZINC000825620110	601578649	/nfs/dbraw/zinc/57/86/49/601578649.db2.gz	WHTMHRGGRVRKAF-UHFFFAOYSA-N	-1	0	315.373	0.883	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1	ZINC000817886918	602047153	/nfs/dbraw/zinc/04/71/53/602047153.db2.gz	GVQJNFMFDIUYSV-INIZCTEOSA-N	-1	0	300.314	0.930	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CCN1C(=O)[O-]	ZINC000826074949	603124663	/nfs/dbraw/zinc/12/46/63/603124663.db2.gz	RZASGDKXKZETGQ-VIFPVBQESA-N	-1	0	310.335	0.326	20	30		DCEDRM
N#CCCN(CCC#N)CN1CC2(CN(C(=O)[O-])C2)CC1=O	ZINC000831097867	603583705	/nfs/dbraw/zinc/58/37/05/603583705.db2.gz	WYWUWGBAWLQJOG-UHFFFAOYSA-N	-1	0	305.338	0.286	20	30		DCEDRM
COc1ccc(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000829340143	603597367	/nfs/dbraw/zinc/59/73/67/603597367.db2.gz	FULLYQPWFOFKQI-LBPRGKRZSA-N	-1	0	303.318	0.952	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)NCC(C)(C)NC(=O)[O-])c1C#N	ZINC000830512150	603614710	/nfs/dbraw/zinc/61/47/10/603614710.db2.gz	SZKKDONCLJJIKD-UHFFFAOYSA-N	-1	0	318.333	0.968	20	30		DCEDRM
Cc1ccc(CNC(=O)CN2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000830312341	603725485	/nfs/dbraw/zinc/72/54/85/603725485.db2.gz	GZQLSXMBIHAKOU-CQSZACIVSA-N	-1	0	316.361	0.799	20	30		DCEDRM
Cc1ccccc1CNC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830573138	603728996	/nfs/dbraw/zinc/72/89/96/603728996.db2.gz	BTNMYSZSNLDCSF-AWEZNQCLSA-N	-1	0	316.361	0.799	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)N2CCN(C(=O)[O-])CC2)cc1	ZINC000831142463	603835291	/nfs/dbraw/zinc/83/52/91/603835291.db2.gz	ZCYCXRAAZWLIEN-UHFFFAOYSA-N	-1	0	318.333	0.942	20	30		DCEDRM
CCC[C@@H](C)CS(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826728187	603917703	/nfs/dbraw/zinc/91/77/03/603917703.db2.gz	KKNGEQJAEUCXCB-MNOVXSKESA-N	-1	0	303.384	0.940	20	30		DCEDRM
C[C@@H](CC(=O)OCC(=O)NC1(C#N)CCCCC1)NC(=O)[O-]	ZINC000824728564	603967518	/nfs/dbraw/zinc/96/75/18/603967518.db2.gz	NAYGSABIRJXGJX-JTQLQIEISA-N	-1	0	311.338	0.918	20	30		DCEDRM
C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825464709	604064849	/nfs/dbraw/zinc/06/48/49/604064849.db2.gz	FPAFKRPHSJIHCO-UWVGGRQHSA-N	-1	0	320.305	0.112	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1n[nH]c2c1CCCC2	ZINC000831086246	604068609	/nfs/dbraw/zinc/06/86/09/604068609.db2.gz	COKYVTQSZWGDAX-SECBINFHSA-N	-1	0	303.322	0.616	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CNC(=O)C1CCCCC1	ZINC000831082218	604073584	/nfs/dbraw/zinc/07/35/84/604073584.db2.gz	IYMPBOLUVQIJQH-GFCCVEGCSA-N	-1	0	322.365	0.397	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc(NC(N)=O)c1	ZINC000831087599	604082349	/nfs/dbraw/zinc/08/23/49/604082349.db2.gz	NXXDHEMXYZCKPM-LLVKDONJSA-N	-1	0	317.305	0.505	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cn2cccnc2n1	ZINC000831091504	604089355	/nfs/dbraw/zinc/08/93/55/604089355.db2.gz	GMHYXNHTXIZHFF-SECBINFHSA-N	-1	0	300.278	0.057	20	30		DCEDRM
C=CCN(C(=O)[C@H](C)CN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000823501416	604111784	/nfs/dbraw/zinc/11/17/84/604111784.db2.gz	WZROBHBKKYVCBH-GHMZBOCLSA-N	-1	0	318.395	0.434	20	30		DCEDRM
CN(C[C@@H]1CCCN1C(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC000828211263	604154812	/nfs/dbraw/zinc/15/48/12/604154812.db2.gz	GXFFXCOAQIHKBI-JTQLQIEISA-N	-1	0	306.326	0.898	20	30		DCEDRM
CC(C)NC(=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000833503237	604478625	/nfs/dbraw/zinc/47/86/25/604478625.db2.gz	QPQRWQLLPAKFFR-UHFFFAOYSA-N	-1	0	303.318	0.875	20	30		DCEDRM
CC(=O)NC[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCO1	ZINC000833397202	604610028	/nfs/dbraw/zinc/61/00/28/604610028.db2.gz	IIQZZVKXNYGVNL-ZDUSSCGKSA-N	-1	0	317.345	0.593	20	30		DCEDRM
Cn1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)c(=O)n(C)c1=O	ZINC000833044218	604628134	/nfs/dbraw/zinc/62/81/34/604628134.db2.gz	TWFIOEMLRMLXGS-FPLPWBNLSA-N	-1	0	314.297	0.678	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)c1ccc(C(=O)[O-])cc1	ZINC000731927759	604639379	/nfs/dbraw/zinc/63/93/79/604639379.db2.gz	SAHKSRAVLNWOLT-UHFFFAOYSA-N	-1	0	308.363	0.319	20	30		DCEDRM
CC(C)Oc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1C#N	ZINC000817919077	604643600	/nfs/dbraw/zinc/64/36/00/604643600.db2.gz	FFCUPICJHMKKBB-UHFFFAOYSA-N	-1	0	319.317	0.875	20	30		DCEDRM
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(O)(C(=O)[O-])CC1	ZINC000833407194	604728203	/nfs/dbraw/zinc/72/82/03/604728203.db2.gz	AGRIIBSCUCQTLT-NSHDSACASA-N	-1	0	317.345	0.797	20	30		DCEDRM
CN(CCCNC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000828285841	604837489	/nfs/dbraw/zinc/83/74/89/604837489.db2.gz	VPRWATWCIQQKPS-UHFFFAOYSA-N	-1	0	304.302	0.883	20	30		DCEDRM
C#CCNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000833365052	604924924	/nfs/dbraw/zinc/92/49/24/604924924.db2.gz	AJPJYXHXZAVJBH-ZDUSSCGKSA-N	-1	0	318.329	0.896	20	30		DCEDRM
C#CCN(C(=O)NCCCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000819700925	605027168	/nfs/dbraw/zinc/02/71/68/605027168.db2.gz	QLONPAVUVHXGOL-NSHDSACASA-N	-1	0	316.379	0.073	20	30		DCEDRM
C[C@H](C(=O)[O-])n1cccc1CN=Nc1ccc(C(N)=O)nn1	ZINC000833405781	605040783	/nfs/dbraw/zinc/04/07/83/605040783.db2.gz	IMELQHBWDWMAEK-MRVPVSSYSA-N	-1	0	302.294	0.469	20	30		DCEDRM
C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000833377152	605058825	/nfs/dbraw/zinc/05/88/25/605058825.db2.gz	OEIZSUBMCFWKGM-UHFFFAOYSA-N	-1	0	319.317	0.050	20	30		DCEDRM
C#CCCN1CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])CC1	ZINC000833362222	605192375	/nfs/dbraw/zinc/19/23/75/605192375.db2.gz	GMYKNJBPRKAXEB-CQSZACIVSA-N	-1	0	309.410	0.243	20	30		DCEDRM
N#Cc1ccccc1OCCOC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000831156546	605204743	/nfs/dbraw/zinc/20/47/43/605204743.db2.gz	BPTNDKUYQWFYKV-ZDUSSCGKSA-N	-1	0	320.301	0.859	20	30		DCEDRM
COC(=O)c1cc(CN2CCOC[C@H]2C#N)cc(C(=O)[O-])c1	ZINC000833713266	605207998	/nfs/dbraw/zinc/20/79/98/605207998.db2.gz	UUHSPGCTVOUSJD-CYBMUJFWSA-N	-1	0	304.302	0.896	20	30		DCEDRM
C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000833377457	605229531	/nfs/dbraw/zinc/22/95/31/605229531.db2.gz	XYPLTJJUSLAUDJ-UHFFFAOYSA-N	-1	0	319.317	0.050	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC000833492028	605274807	/nfs/dbraw/zinc/27/48/07/605274807.db2.gz	CGWZEFHNIBVSPE-LBPRGKRZSA-N	-1	0	318.333	0.299	20	30		DCEDRM
N#Cc1ccccc1CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O	ZINC000831152896	605347859	/nfs/dbraw/zinc/34/78/59/605347859.db2.gz	REMKXYUHUFFTQF-HNNXBMFYSA-N	-1	0	314.301	0.733	20	30		DCEDRM
N#Cc1cccc(C2(NC(=O)CNC(=O)CNC(=O)[O-])CC2)c1	ZINC000833978703	605351843	/nfs/dbraw/zinc/35/18/43/605351843.db2.gz	SZQVOWBZNUYSPD-UHFFFAOYSA-N	-1	0	316.317	0.047	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)CC2	ZINC000833976656	605365174	/nfs/dbraw/zinc/36/51/74/605365174.db2.gz	JWPYMRIKTRZPGL-ZDUSSCGKSA-N	-1	0	301.302	0.826	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000828885460	605444489	/nfs/dbraw/zinc/44/44/89/605444489.db2.gz	FQHGFWSWPAOHSM-SKDRFNHKSA-N	-1	0	301.368	0.517	20	30		DCEDRM
N#CCCN1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1	ZINC000833965903	605517098	/nfs/dbraw/zinc/51/70/98/605517098.db2.gz	UTLHCSNWBQVMGU-QWHCGFSZSA-N	-1	0	308.382	0.871	20	30		DCEDRM
CC(C)(CNC(=O)[O-])NC(=O)NCCNc1ncccc1C#N	ZINC000823986182	605577646	/nfs/dbraw/zinc/57/76/46/605577646.db2.gz	MJUYHUBNCRIIPZ-UHFFFAOYSA-N	-1	0	320.353	0.711	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])nc1	ZINC000833368488	605652395	/nfs/dbraw/zinc/65/23/95/605652395.db2.gz	OIDGSRYPZWNIOF-WCQYABFASA-N	-1	0	316.313	0.541	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@H](O)COCc1ccccc1	ZINC000833966808	605672372	/nfs/dbraw/zinc/67/23/72/605672372.db2.gz	NYTWXHTUMCHEPP-QLFBSQMISA-N	-1	0	319.361	0.656	20	30		DCEDRM
Cc1onc(CC(=O)N2CCN(C(=O)[O-])[C@H](C)[C@@H]2C)c1C#N	ZINC000833936877	605700066	/nfs/dbraw/zinc/70/00/66/605700066.db2.gz	RIILYFYGJHJBOF-DTWKUNHWSA-N	-1	0	306.322	0.996	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000833721514	605758196	/nfs/dbraw/zinc/75/81/96/605758196.db2.gz	WDKSORZDLXUTNS-ZFWWWQNUSA-N	-1	0	306.318	0.588	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)NC[C@H](NC(=O)[O-])C2CC2)cc1	ZINC000833973123	605850224	/nfs/dbraw/zinc/85/02/24/605850224.db2.gz	KPKRDXRSIZFWLK-QWHCGFSZSA-N	-1	0	303.318	0.754	20	30		DCEDRM
N#C[C@@H]1CSCCN1C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000833966247	605972891	/nfs/dbraw/zinc/97/28/91/605972891.db2.gz	ITEVRMMGAIBZRX-VHSXEESVSA-N	-1	0	315.420	0.939	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)CN(C(=O)[O-])C2CC2)C(N)=O)cc1	ZINC000833972637	605980607	/nfs/dbraw/zinc/98/06/07/605980607.db2.gz	FXBTZJWTIDKWTK-CYBMUJFWSA-N	-1	0	317.301	0.770	20	30		DCEDRM
O=C([O-])N[C@H]1CCCCCC1=NN[C@@H]1CCS(=O)(=O)C1	ZINC000834186993	606077103	/nfs/dbraw/zinc/07/71/03/606077103.db2.gz	WGIXPHBUTRLHCG-ZJUUUORDSA-N	-1	0	303.384	0.719	20	30		DCEDRM
Cc1nnc(NN=Cc2ccc(-c3nn[nH]n3)s2)[n-]c1=O	ZINC000822514747	606369301	/nfs/dbraw/zinc/36/93/01/606369301.db2.gz	HUBPPLVOKXEIDP-UHFFFAOYSA-N	-1	0	303.311	0.573	20	30		DCEDRM
C[C@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1ccncc1	ZINC000820225438	607192619	/nfs/dbraw/zinc/19/26/19/607192619.db2.gz	IXWWTNIPEZCIEO-MRVPVSSYSA-N	-1	0	323.320	0.989	20	30		DCEDRM
COCC#CCn1cc(-c2nnn[n-]2)c(=O)c2nc(C)ccc21	ZINC000826147878	608096943	/nfs/dbraw/zinc/09/69/43/608096943.db2.gz	OSGCBDAAIXXALM-UHFFFAOYSA-N	-1	0	310.317	0.535	20	30		DCEDRM
CS[C@H](C)CCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000826225586	608355659	/nfs/dbraw/zinc/35/56/59/608355659.db2.gz	FMQDZBAPXZDKTG-ZCFIWIBFSA-N	-1	0	306.355	0.932	20	30		DCEDRM
Cc1cnc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c(C)c1	ZINC000826317670	609146617	/nfs/dbraw/zinc/14/66/17/609146617.db2.gz	KNLDBMQSEKCNAR-UHFFFAOYSA-N	-1	0	309.293	0.726	20	30		DCEDRM
C=C(Cl)CN1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC000981557122	661172092	/nfs/dbraw/zinc/17/20/92/661172092.db2.gz	QMRMPKCYRZWORO-UHFFFAOYSA-N	-1	0	313.745	0.183	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1	ZINC000971364115	658535880	/nfs/dbraw/zinc/53/58/80/658535880.db2.gz	QJORCZCRBCHKRU-JTQLQIEISA-N	-1	0	315.337	0.057	20	30		DCEDRM
Cn1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(Br)n1	ZINC000892497391	658727874	/nfs/dbraw/zinc/72/78/74/658727874.db2.gz	ZBTHVSUOADNEHK-SSDOTTSWSA-N	-1	0	311.139	0.784	20	30		DCEDRM
C[C@H]1CO[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)C1	ZINC000892664288	659103804	/nfs/dbraw/zinc/10/38/04/659103804.db2.gz	NPGSXNFNPXVLQP-ZWNOBZJWSA-N	-1	0	308.359	0.929	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cncc(N2CCOCC2)c1	ZINC000909516953	662171341	/nfs/dbraw/zinc/17/13/41/662171341.db2.gz	VGZZSIXRVDQLHD-UHFFFAOYSA-N	-1	0	305.334	0.631	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC	ZINC000797295256	662471169	/nfs/dbraw/zinc/47/11/69/662471169.db2.gz	SUMCZVRTXHTGDY-JOYOIKCWSA-N	-1	0	307.368	0.223	20	30		DCEDRM
C[C@H]1[C@H](NCC#N)CCN1C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000987350687	662670953	/nfs/dbraw/zinc/67/09/53/662670953.db2.gz	FKKNSOTUYQHKSM-DTWKUNHWSA-N	-1	0	301.306	0.645	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2C[C@H](NCC#N)C[C@@H]2C)cc1=O	ZINC000989126437	662884400	/nfs/dbraw/zinc/88/44/00/662884400.db2.gz	RPCILTNITTYSBW-GXTWGEPZSA-N	-1	0	319.409	0.477	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cc(OC)ccc1OC	ZINC000729887652	662911927	/nfs/dbraw/zinc/91/19/27/662911927.db2.gz	YYISVWZWXYPWOM-UHFFFAOYSA-N	-1	0	315.347	0.711	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cnnc2)cc1	ZINC000729888423	662912001	/nfs/dbraw/zinc/91/20/01/662912001.db2.gz	FNBLFQGWYYMBAF-ZDUSSCGKSA-N	-1	0	313.317	0.352	20	30		DCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)c2cncc(F)c2)C1	ZINC000899929696	663201785	/nfs/dbraw/zinc/20/17/85/663201785.db2.gz	IUUSZMOETINQFP-SNVBAGLBSA-N	-1	0	312.322	0.709	20	30		DCEDRM
N#Cc1ccnc(Cn2cc(C[N-]C(=O)C(F)(F)F)nn2)c1	ZINC000900628580	663263884	/nfs/dbraw/zinc/26/38/84/663263884.db2.gz	JQORKRRENWCABQ-UHFFFAOYSA-N	-1	0	310.239	0.772	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cnc3n2CCC3)C1	ZINC000906006931	663595181	/nfs/dbraw/zinc/59/51/81/663595181.db2.gz	MJVIPNKLRVFLAS-UHFFFAOYSA-N	-1	0	311.363	0.481	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)C1	ZINC000907126951	663669544	/nfs/dbraw/zinc/66/95/44/663669544.db2.gz	ILPCIZIVJUAWLP-UHFFFAOYSA-N	-1	0	313.306	0.201	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)C1	ZINC000907127890	663669780	/nfs/dbraw/zinc/66/97/80/663669780.db2.gz	OOUNZOFFIZEWRC-UHFFFAOYSA-N	-1	0	321.354	0.242	20	30		DCEDRM
C=CCN(C(=O)[C@H](C(=O)[O-])C(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000908751025	663768236	/nfs/dbraw/zinc/76/82/36/663768236.db2.gz	MGFHVMCKDHYIMK-WDEREUQCSA-N	-1	0	303.380	0.545	20	30		DCEDRM
C=C[C@@H](O)C(=O)N(CC(=O)[O-])Cc1cc(OC)cc(OC)c1	ZINC000908908777	663775059	/nfs/dbraw/zinc/77/50/59/663775059.db2.gz	YWSZMUBALALJGT-CYBMUJFWSA-N	-1	0	309.318	0.664	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000908961626	663776668	/nfs/dbraw/zinc/77/66/68/663776668.db2.gz	WVGJYQSSQSMHIY-CHWSQXEVSA-N	-1	0	318.329	0.428	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)NC[C@@]1(OC)CCOC1)C(=O)[O-]	ZINC000909190472	663786030	/nfs/dbraw/zinc/78/60/30/663786030.db2.gz	OTZHROQOQKGAQS-RISCZKNCSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)N1CCSCC1)C(=O)[O-]	ZINC000909769284	663800259	/nfs/dbraw/zinc/80/02/59/663800259.db2.gz	YDDDSFJSDYQVEY-QWRGUYRKSA-N	-1	0	302.396	0.196	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-]	ZINC000910051198	663836850	/nfs/dbraw/zinc/83/68/50/663836850.db2.gz	GLOXWFYNOSCGKL-JQWIXIFHSA-N	-1	0	304.302	0.221	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-]	ZINC000910051213	663837039	/nfs/dbraw/zinc/83/70/39/663837039.db2.gz	GQVOIVAHLJMJFC-UONOGXRCSA-N	-1	0	314.341	0.628	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H](Oc1ccccc1)C(C)(C)O)C(=O)[O-]	ZINC000910049270	663840321	/nfs/dbraw/zinc/84/03/21/663840321.db2.gz	UXAHPTIIHDHTBP-OLZOCXBDSA-N	-1	0	305.330	0.798	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN(CC(F)(F)F)C1)C(=O)[O-]	ZINC000910049553	663841046	/nfs/dbraw/zinc/84/10/46/663841046.db2.gz	XENNVNOJHYPKHC-VHSXEESVSA-N	-1	0	306.284	0.853	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)C(=O)[O-]	ZINC000910049554	663841063	/nfs/dbraw/zinc/84/10/63/663841063.db2.gz	XENNVNOJHYPKHC-ZJUUUORDSA-N	-1	0	306.284	0.853	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cc1	ZINC000910757807	663933673	/nfs/dbraw/zinc/93/36/73/663933673.db2.gz	VISWLXZJGJHODM-ZDUSSCGKSA-N	-1	0	300.314	0.473	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC000913437605	664314370	/nfs/dbraw/zinc/31/43/70/664314370.db2.gz	HBJWQDQBCBEGTO-UONOGXRCSA-N	-1	0	310.361	0.503	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000842356717	664610709	/nfs/dbraw/zinc/61/07/09/664610709.db2.gz	AAFSGKCVTHTVIR-GFCCVEGCSA-N	-1	0	307.368	0.224	20	30		DCEDRM
CC(=NNc1nc2[nH][nH]cc-2c(=O)n1)c1ccc(C(=O)[O-])cc1	ZINC000731154335	664841035	/nfs/dbraw/zinc/84/10/35/664841035.db2.gz	HKPZNVIDTGNPBX-UHFFFAOYSA-N	-1	0	312.289	0.966	20	30		DCEDRM
C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C	ZINC000993548130	664979768	/nfs/dbraw/zinc/97/97/68/664979768.db2.gz	LZVWHCOSDVEUFH-UWVGGRQHSA-N	-1	0	307.354	0.442	20	30		DCEDRM
C=CCN1C(=O)c2ccc(C([O-])=C(C#N)C(=O)NC)cc2C1=O	ZINC000917002710	665108130	/nfs/dbraw/zinc/10/81/30/665108130.db2.gz	STFDXKLJUXJFEH-GFCCVEGCSA-N	-1	0	311.297	0.537	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC000917002697	665108224	/nfs/dbraw/zinc/10/82/24/665108224.db2.gz	OQWOUPQGRXUOSU-OLZOCXBDSA-N	-1	0	315.329	0.873	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2ccccc2OCC#N)cn1	ZINC000920104981	665258606	/nfs/dbraw/zinc/25/86/06/665258606.db2.gz	QTWICFZPXIUWNT-UHFFFAOYSA-N	-1	0	320.330	0.441	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(OCCOC)c1	ZINC000920107918	665259026	/nfs/dbraw/zinc/25/90/26/665259026.db2.gz	JTTFMKDDGZAPRJ-AWEZNQCLSA-N	-1	0	320.345	0.797	20	30		DCEDRM
CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCCN(CC#N)CC1	ZINC000998049708	665391861	/nfs/dbraw/zinc/39/18/61/665391861.db2.gz	IORLTWIISAKXRC-JTQLQIEISA-N	-1	0	320.353	0.123	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC2CCN(CC#N)CC2)cc1=O	ZINC001003256026	666289114	/nfs/dbraw/zinc/28/91/14/666289114.db2.gz	ABUABPQQZIYMQY-UHFFFAOYSA-N	-1	0	319.409	0.479	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)cc1	ZINC000733675709	666796335	/nfs/dbraw/zinc/79/63/35/666796335.db2.gz	JXFUQIYPADWJFC-GFCCVEGCSA-N	-1	0	324.358	0.559	20	30		DCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000733718790	666807677	/nfs/dbraw/zinc/80/76/77/666807677.db2.gz	XUIDAZVLRMYJIW-SNVBAGLBSA-N	-1	0	312.347	0.418	20	30		DCEDRM
CC1(C)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H]1NCC#N	ZINC000996517676	666812618	/nfs/dbraw/zinc/81/26/18/666812618.db2.gz	GHNVWVKWRKPYSO-LLVKDONJSA-N	-1	0	315.333	0.892	20	30		DCEDRM
CC(C)OC[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000863416337	667141070	/nfs/dbraw/zinc/14/10/70/667141070.db2.gz	HVGOTKIPTLMIIM-NSHDSACASA-N	-1	0	313.335	0.110	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1cncn1CC)C(=O)[O-]	ZINC000863420448	667141750	/nfs/dbraw/zinc/14/17/50/667141750.db2.gz	OIPQWQJBJFJJKQ-MRVPVSSYSA-N	-1	0	307.759	0.777	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000864185204	667222870	/nfs/dbraw/zinc/22/28/70/667222870.db2.gz	WCFUOYAXFHRZEC-QMMMGPOBSA-N	-1	0	302.674	0.503	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccc(F)c1OC)C(=O)[O-]	ZINC000864433795	667254441	/nfs/dbraw/zinc/25/44/41/667254441.db2.gz	RSARIEJTGPEQAX-JTQLQIEISA-N	-1	0	315.322	0.979	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)CC(=O)OCC)OCC	ZINC000838844650	667712364	/nfs/dbraw/zinc/71/23/64/667712364.db2.gz	COSTXQQCFLYRKU-JTQLQIEISA-N	-1	0	307.368	0.367	20	30		DCEDRM
COCCn1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)cn1	ZINC000870158933	667716410	/nfs/dbraw/zinc/71/64/10/667716410.db2.gz	MOMGHLCMKUYZQQ-ZDUSSCGKSA-N	-1	0	304.350	0.911	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1)OCC	ZINC000839017932	667726462	/nfs/dbraw/zinc/72/64/62/667726462.db2.gz	YJTRIVBAVUJYQZ-NSHDSACASA-N	-1	0	315.395	0.905	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@]1(CC(C)C)CCNC1=O	ZINC000870330900	667731678	/nfs/dbraw/zinc/73/16/78/667731678.db2.gz	XDDMPUUGAFKINU-CYBMUJFWSA-N	-1	0	300.380	0.008	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(C)=O)CC1	ZINC000870370016	667734728	/nfs/dbraw/zinc/73/47/28/667734728.db2.gz	QNHGOUSGPKBFTP-NSHDSACASA-N	-1	0	300.380	0.552	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn(CCOCC)c2)CC1	ZINC000870839425	667765528	/nfs/dbraw/zinc/76/55/28/667765528.db2.gz	LDFSFFJPIQOQDR-UHFFFAOYSA-N	-1	0	313.379	0.698	20	30		DCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)C1CCOCC1	ZINC000871741602	667846495	/nfs/dbraw/zinc/84/64/95/667846495.db2.gz	CIYFXWVSMQPYME-JTQLQIEISA-N	-1	0	306.384	0.351	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)o2)cc1	ZINC000747196220	667897330	/nfs/dbraw/zinc/89/73/30/667897330.db2.gz	BFHPPSZWWKEOCR-UHFFFAOYSA-N	-1	0	319.298	0.369	20	30		DCEDRM
Cc1cc(C)c(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)o1	ZINC000750707470	667985213	/nfs/dbraw/zinc/98/52/13/667985213.db2.gz	DXZDMUDMLIFMMV-NSHDSACASA-N	-1	0	324.358	0.476	20	30		DCEDRM
C#CCOCCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000753524079	668032347	/nfs/dbraw/zinc/03/23/47/668032347.db2.gz	XYZIQOHILGPFHC-UHFFFAOYSA-N	-1	0	317.370	0.451	20	30		DCEDRM
NC(=O)CNC(=S)NN=Cc1cc(Cl)c([O-])cc1Cl	ZINC000758111824	668156680	/nfs/dbraw/zinc/15/66/80/668156680.db2.gz	ZSOCHAIFTZVNGP-UHFFFAOYSA-N	-1	0	321.189	0.982	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1	ZINC000759462346	668220953	/nfs/dbraw/zinc/22/09/53/668220953.db2.gz	LPVKRQSJMLSWCO-UHFFFAOYSA-N	-1	0	316.379	0.036	20	30		DCEDRM
N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000761104845	668305867	/nfs/dbraw/zinc/30/58/67/668305867.db2.gz	CRYOGDVBEGGTAA-UHFFFAOYSA-N	-1	0	307.375	0.752	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccnc(O[C@H]2CCOC2)c1	ZINC000762052173	668345103	/nfs/dbraw/zinc/34/51/03/668345103.db2.gz	ZYWZSUFIKZBXOJ-LBPRGKRZSA-N	-1	0	306.318	0.962	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cc1	ZINC000762126831	668348178	/nfs/dbraw/zinc/34/81/78/668348178.db2.gz	FCFLDDKJCPCGIL-CYBMUJFWSA-N	-1	0	308.359	0.583	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000926358236	668398663	/nfs/dbraw/zinc/39/86/63/668398663.db2.gz	NUIKUEWRPIKZSD-QWHCGFSZSA-N	-1	0	324.377	0.217	20	30		DCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000926537319	668411389	/nfs/dbraw/zinc/41/13/89/668411389.db2.gz	KONIXFXSTBETKT-MRVPVSSYSA-N	-1	0	301.295	0.589	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@]12CCOC2	ZINC000764754261	668461024	/nfs/dbraw/zinc/46/10/24/668461024.db2.gz	UZDUZMCOTJXAHX-UKRRQHHQSA-N	-1	0	320.370	0.931	20	30		DCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000765648311	668503908	/nfs/dbraw/zinc/50/39/08/668503908.db2.gz	HRPRWKLIOOZCGG-UHFFFAOYSA-N	-1	0	320.330	0.441	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)NC[C@H](CC)C(=O)[O-])c1	ZINC000927951323	668537601	/nfs/dbraw/zinc/53/76/01/668537601.db2.gz	UZRXBPUWKALFDZ-ZDUSSCGKSA-N	-1	0	302.330	0.511	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(Cl)n1	ZINC000766840582	668548036	/nfs/dbraw/zinc/54/80/36/668548036.db2.gz	KCGACKVCLXOGMH-QMMMGPOBSA-N	-1	0	311.725	0.829	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)NCCO[C@@H]1CCOC1)C(=O)[O-]	ZINC000929016730	668644912	/nfs/dbraw/zinc/64/49/12/668644912.db2.gz	HQMOSJNAFFPUQI-ZJUUUORDSA-N	-1	0	306.746	0.687	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc([S@](C)=O)c1	ZINC000770837918	668719071	/nfs/dbraw/zinc/71/90/71/668719071.db2.gz	DLFTVTJRLUJZJL-GTJPDFRWSA-N	-1	0	308.359	0.509	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000770865292	668720931	/nfs/dbraw/zinc/72/09/31/668720931.db2.gz	FAASHECHLCKZDN-SNVBAGLBSA-N	-1	0	316.277	0.507	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCn2ccccc2=O)CCC1	ZINC000771075917	668729865	/nfs/dbraw/zinc/72/98/65/668729865.db2.gz	KILGTBBUZZMBLW-UHFFFAOYSA-N	-1	0	323.374	0.378	20	30		DCEDRM
CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771077358	668730128	/nfs/dbraw/zinc/73/01/28/668730128.db2.gz	OLQZRPPQCVYDCD-UHFFFAOYSA-N	-1	0	310.379	0.736	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc(=O)[nH]1	ZINC000771077662	668730162	/nfs/dbraw/zinc/73/01/62/668730162.db2.gz	KHBCMXACSJVBPT-UHFFFAOYSA-N	-1	0	309.347	0.849	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCCn2cccn2)CCC1	ZINC000771073830	668730203	/nfs/dbraw/zinc/73/02/03/668730203.db2.gz	FUHKJAZDNZXYJP-UHFFFAOYSA-N	-1	0	310.379	0.803	20	30		DCEDRM
COC(=O)c1coc(/C=C/C(=O)c2cnc([O-])n(C)c2=O)c1	ZINC000774136556	668823861	/nfs/dbraw/zinc/82/38/61/668823861.db2.gz	QWMAQFRVSIRGCM-ONEGZZNKSA-N	-1	0	304.258	0.762	20	30		DCEDRM
CN(CC(=O)C(C#N)=C([O-])c1nccn1C)[C@H]1CCSC1	ZINC000774204024	668826961	/nfs/dbraw/zinc/82/69/61/668826961.db2.gz	GEQSWVWIPLXQTP-QWRGUYRKSA-N	-1	0	306.391	0.749	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)[C@@H](C)COC	ZINC000775244494	668859675	/nfs/dbraw/zinc/85/96/75/668859675.db2.gz	LOKWGOILGAOFLU-JTQLQIEISA-N	-1	0	314.363	0.741	20	30		DCEDRM
C[C@H](NC(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776117481	668871188	/nfs/dbraw/zinc/87/11/88/668871188.db2.gz	RDOHZSBEZQIKEO-NSHDSACASA-N	-1	0	323.374	0.555	20	30		DCEDRM
C[C@H](NC(=O)c1ccco1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122427	668871249	/nfs/dbraw/zinc/87/12/49/668871249.db2.gz	RDNJAFFBMXLMOQ-VIFPVBQESA-N	-1	0	313.335	0.148	20	30		DCEDRM
COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)cc1	ZINC000776123743	668871514	/nfs/dbraw/zinc/87/15/14/668871514.db2.gz	UXKSKVMDOAEIQD-UHFFFAOYSA-N	-1	0	310.331	0.837	20	30		DCEDRM
N#CCCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000776603920	668879201	/nfs/dbraw/zinc/87/92/01/668879201.db2.gz	QCNVFVZUIQWXSX-VXGBXAGGSA-N	-1	0	312.347	0.396	20	30		DCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(F)c1C#N	ZINC000778640323	668902080	/nfs/dbraw/zinc/90/20/80/668902080.db2.gz	KJMABSQOIBJQHI-QMMMGPOBSA-N	-1	0	300.311	0.792	20	30		DCEDRM
Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779320740	668909865	/nfs/dbraw/zinc/90/98/65/668909865.db2.gz	BCJSSNJJACEIQB-UHFFFAOYSA-N	-1	0	310.379	0.872	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000780175927	668972980	/nfs/dbraw/zinc/97/29/80/668972980.db2.gz	KROLCWXPAJFZRW-CYBMUJFWSA-N	-1	0	310.310	0.815	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1)OCC	ZINC000780608596	668999770	/nfs/dbraw/zinc/99/97/70/668999770.db2.gz	KMTJXVJZFUSZSV-VXGBXAGGSA-N	-1	0	305.396	0.983	20	30		DCEDRM
C=CC[C@H](NC(=O)C(=O)[N-]OCCOCC)c1ccncc1	ZINC000805808188	669315976	/nfs/dbraw/zinc/31/59/76/669315976.db2.gz	CDNBCDCBDAATJW-ZDUSSCGKSA-N	-1	0	307.350	0.899	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)CCn2ccnn2)n1	ZINC000787628904	669383498	/nfs/dbraw/zinc/38/34/98/669383498.db2.gz	MIUIXMUOLDEGOB-SNVBAGLBSA-N	-1	0	319.346	0.853	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2oc(=O)[nH]c2c1	ZINC000805854092	669404051	/nfs/dbraw/zinc/40/40/51/669404051.db2.gz	QPYKOKNYOOMNQT-VIFPVBQESA-N	-1	0	303.274	0.618	20	30		DCEDRM
Cn1cnc2c1nccc2C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000805909757	669533940	/nfs/dbraw/zinc/53/39/40/669533940.db2.gz	GLNZUFYCEDDDQI-UHFFFAOYSA-N	-1	0	307.335	0.332	20	30		DCEDRM
COCCN(C)c1ccc(C=NNc2nnc(C)c(=O)[n-]2)cn1	ZINC000790149585	669540189	/nfs/dbraw/zinc/54/01/89/669540189.db2.gz	YTFBSQQKIURPRE-UHFFFAOYSA-N	-1	0	317.353	0.809	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)c(C)c1	ZINC000791110967	669594073	/nfs/dbraw/zinc/59/40/73/669594073.db2.gz	IQHDUVOLAYUGLG-UHFFFAOYSA-N	-1	0	318.358	0.659	20	30		DCEDRM
CSc1c(C(=O)[N-]S(=O)(=O)CCCC#N)cnn1C	ZINC000791865125	669635509	/nfs/dbraw/zinc/63/55/09/669635509.db2.gz	CFVPWHYGODRXES-UHFFFAOYSA-N	-1	0	302.381	0.505	20	30		DCEDRM
CC[C@@H](NN=C(CNS(C)(=O)=O)c1ccccc1)C(=O)[O-]	ZINC000793071954	669700507	/nfs/dbraw/zinc/70/05/07/669700507.db2.gz	JDCDEBFJPBADPQ-LLVKDONJSA-N	-1	0	313.379	0.393	20	30		DCEDRM
CC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCO1	ZINC000793202163	669707118	/nfs/dbraw/zinc/70/71/18/669707118.db2.gz	WHSDESPIWAMXFZ-MNOVXSKESA-N	-1	0	300.380	0.941	20	30		DCEDRM
C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793212751	669708167	/nfs/dbraw/zinc/70/81/67/669708167.db2.gz	UPAUMFCLVWEBQW-MNOVXSKESA-N	-1	0	316.379	0.320	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1	ZINC000794769344	669863163	/nfs/dbraw/zinc/86/31/63/669863163.db2.gz	ONBVEDQBRSLBAZ-QMMMGPOBSA-N	-1	0	311.310	0.118	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1nnn(C(C)C)c1C	ZINC000796742636	669941364	/nfs/dbraw/zinc/94/13/64/669941364.db2.gz	UXKXNZAJYNLLAL-NSHDSACASA-N	-1	0	307.354	0.643	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)c1ccc2c(c1)OCO2	ZINC000797197001	669959311	/nfs/dbraw/zinc/95/93/11/669959311.db2.gz	BCSHHGIVRRDZRK-JTQLQIEISA-N	-1	0	309.343	0.988	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)OCC	ZINC000797300781	669964601	/nfs/dbraw/zinc/96/46/01/669964601.db2.gz	NNHPZZKLYDKTPK-UWVGGRQHSA-N	-1	0	307.368	0.365	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc2c1O[C@H](C)C(=O)N2	ZINC000798202695	669991941	/nfs/dbraw/zinc/99/19/41/669991941.db2.gz	KHZDIUJLMGUZDZ-SECBINFHSA-N	-1	0	322.342	0.489	20	30		DCEDRM
CCS(=O)(=O)[N-]C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000798828302	670025723	/nfs/dbraw/zinc/02/57/23/670025723.db2.gz	LZVQIHRWNHINAH-UHFFFAOYSA-N	-1	0	304.331	0.823	20	30		DCEDRM
O=C([O-])COc1ccc(C=NNCCCN2CCOCC2)cc1	ZINC000799489169	670062099	/nfs/dbraw/zinc/06/20/99/670062099.db2.gz	OLFNTQYHAOCRKK-UHFFFAOYSA-N	-1	0	321.377	0.796	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cncc(OCCOC)c1	ZINC000802042886	670148818	/nfs/dbraw/zinc/14/88/18/670148818.db2.gz	LTIAQYFTNPYZAW-ZDUSSCGKSA-N	-1	0	303.318	0.731	20	30		DCEDRM
COCCOc1cncc(C([O-])=C(C#N)C(=O)NC2CC2)c1	ZINC000802040261	670149126	/nfs/dbraw/zinc/14/91/26/670149126.db2.gz	CUFMXHSIOMHMAG-CYBMUJFWSA-N	-1	0	303.318	0.708	20	30		DCEDRM
C#CCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000810401850	670484390	/nfs/dbraw/zinc/48/43/90/670484390.db2.gz	CJHHMFYUQUEEJM-UHFFFAOYSA-N	-1	0	302.302	0.383	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cn1nc(C(F)(F)F)cc1C	ZINC000810643287	670492429	/nfs/dbraw/zinc/49/24/29/670492429.db2.gz	HVRAQQSKECBQMD-UHFFFAOYSA-N	-1	0	311.285	0.842	20	30		DCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)n1	ZINC000810693278	670494124	/nfs/dbraw/zinc/49/41/24/670494124.db2.gz	NYLBIBWGVXVPMI-UHFFFAOYSA-N	-1	0	304.331	0.707	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(CC(F)(F)F)C1	ZINC000810773897	670496941	/nfs/dbraw/zinc/49/69/41/670496941.db2.gz	INGOHHRXCUGAJJ-SECBINFHSA-N	-1	0	312.313	0.340	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OCC)c(C)n1	ZINC000810775968	670497204	/nfs/dbraw/zinc/49/72/04/670497204.db2.gz	BWRHKVGEYHTQIE-UHFFFAOYSA-N	-1	0	324.358	0.650	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccncc1	ZINC000810777056	670497250	/nfs/dbraw/zinc/49/72/50/670497250.db2.gz	UEDVONJEBNLNBT-UHFFFAOYSA-N	-1	0	318.358	0.565	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(-c2ccccc2)nn1	ZINC000810777834	670497306	/nfs/dbraw/zinc/49/73/06/670497306.db2.gz	IOYVEBJPHXNRAN-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1nc(-c2ccco2)no1	ZINC000810779988	670497499	/nfs/dbraw/zinc/49/74/99/670497499.db2.gz	JMXSLFRZNPWKTF-UHFFFAOYSA-N	-1	0	323.330	0.732	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(OCC(F)F)c1	ZINC000810781813	670497810	/nfs/dbraw/zinc/49/78/10/670497810.db2.gz	VGRDZGURFWCTMT-UHFFFAOYSA-N	-1	0	318.301	0.808	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)CC1	ZINC000810983306	670501770	/nfs/dbraw/zinc/50/17/70/670501770.db2.gz	PLGRYSWMWNCXLF-MNOVXSKESA-N	-1	0	314.407	0.833	20	30		DCEDRM
C#CCON=C(C)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1	ZINC000812233759	670569179	/nfs/dbraw/zinc/56/91/79/670569179.db2.gz	CZGCQFMWKWYQIJ-UHFFFAOYSA-N	-1	0	310.331	0.423	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cc(CN3CCCC3)on2)[n-]c1C#N	ZINC000812462685	670583690	/nfs/dbraw/zinc/58/36/90/670583690.db2.gz	RVYRLYIDUKQVOK-UHFFFAOYSA-N	-1	0	311.305	0.989	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](CSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000812786138	670595793	/nfs/dbraw/zinc/59/57/93/670595793.db2.gz	ALWSVWPPVVQQEN-UTUOFQBUSA-N	-1	0	324.402	0.574	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847845499	670605314	/nfs/dbraw/zinc/60/53/14/670605314.db2.gz	SMWWNHOMIBBTCL-SNVBAGLBSA-N	-1	0	301.368	0.347	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000813955049	670665493	/nfs/dbraw/zinc/66/54/93/670665493.db2.gz	YJXRWLARZQREMS-CYBMUJFWSA-N	-1	0	315.395	0.762	20	30		DCEDRM
COC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983351	670668171	/nfs/dbraw/zinc/66/81/71/670668171.db2.gz	RIWBMRMLGQRWPP-UWVGGRQHSA-N	-1	0	311.363	0.677	20	30		DCEDRM
CC(C)[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)C(=O)[O-]	ZINC000848637298	670707715	/nfs/dbraw/zinc/70/77/15/670707715.db2.gz	FCIJAAXTMLMUQI-SNVBAGLBSA-N	-1	0	311.363	0.974	20	30		DCEDRM
CC(C)[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)C(=O)[O-]	ZINC000848638817	670708293	/nfs/dbraw/zinc/70/82/93/670708293.db2.gz	WAIRMCZPFROHLP-NSHDSACASA-N	-1	0	311.363	0.974	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000849219098	670765764	/nfs/dbraw/zinc/76/57/64/670765764.db2.gz	GWUVGCZXNFUNGH-UHFFFAOYSA-N	-1	0	312.303	0.612	20	30		DCEDRM
N#CC1(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCCCC1	ZINC000855957313	670774086	/nfs/dbraw/zinc/77/40/86/670774086.db2.gz	PFVMKWCQXVRHEY-UHFFFAOYSA-N	-1	0	314.349	0.661	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000815980670	670777109	/nfs/dbraw/zinc/77/71/09/670777109.db2.gz	SRLWXLAQVNEPFS-UHFFFAOYSA-N	-1	0	303.303	0.170	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]OCCN2CCCC2=O)cc1	ZINC000856036370	670777850	/nfs/dbraw/zinc/77/78/50/670777850.db2.gz	SZSKYSMIOZYDQO-UHFFFAOYSA-N	-1	0	303.318	0.607	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)[N-]OCCN1CCCC1=O	ZINC000856036637	670778099	/nfs/dbraw/zinc/77/80/99/670778099.db2.gz	GBZBUMZDEFNQAY-LBPRGKRZSA-N	-1	0	317.345	0.996	20	30		DCEDRM
C#C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])[C@@H]1CCCO1	ZINC000849387111	670786398	/nfs/dbraw/zinc/78/63/98/670786398.db2.gz	JTTSAZUNYLCDGY-KOLCDFICSA-N	-1	0	311.319	0.449	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccccc1[O-])C(=O)OC	ZINC000849391481	670786910	/nfs/dbraw/zinc/78/69/10/670786910.db2.gz	QQMUQGDUQCRWJT-JTQLQIEISA-N	-1	0	315.347	0.415	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000109184918	670896864	/nfs/dbraw/zinc/89/68/64/670896864.db2.gz	QDFBMAXUBJZESR-JTQLQIEISA-N	-1	0	314.261	0.244	20	30		DCEDRM
COCCN(C)S(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1	ZINC000850889208	670953265	/nfs/dbraw/zinc/95/32/65/670953265.db2.gz	UWBINHKSXVPBBB-UHFFFAOYSA-N	-1	0	317.411	0.790	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC1CCC1	ZINC000850909509	670953756	/nfs/dbraw/zinc/95/37/56/670953756.db2.gz	MHJCCRNLTCQDEP-GFCCVEGCSA-N	-1	0	302.396	0.703	20	30		DCEDRM
COC[C@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000850947473	670957035	/nfs/dbraw/zinc/95/70/35/670957035.db2.gz	IVICIDNWFOZMJQ-NSHDSACASA-N	-1	0	318.395	0.568	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H](n1cccn1)C(F)(F)F	ZINC000850999373	670960189	/nfs/dbraw/zinc/96/01/89/670960189.db2.gz	CUMWDOYKVKJIAV-VIFPVBQESA-N	-1	0	323.296	0.846	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC000851076596	670966084	/nfs/dbraw/zinc/96/60/84/670966084.db2.gz	OMQQTNOAAJSQHS-VIFPVBQESA-N	-1	0	320.334	0.017	20	30		DCEDRM
COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000851501312	670993398	/nfs/dbraw/zinc/99/33/98/670993398.db2.gz	QGIHOYKXCXHDEU-UHFFFAOYSA-N	-1	0	318.376	0.341	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000818623573	671037904	/nfs/dbraw/zinc/03/79/04/671037904.db2.gz	JEYYZKNMXWRPTK-LLVKDONJSA-N	-1	0	320.411	0.633	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000818656682	671041510	/nfs/dbraw/zinc/04/15/10/671041510.db2.gz	IFXHYQHEOODHRH-UHFFFAOYSA-N	-1	0	314.407	0.476	20	30		DCEDRM
C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(C)(C)C	ZINC000859158181	671078335	/nfs/dbraw/zinc/07/83/35/671078335.db2.gz	AJJSYWSWUKAPMF-VIFPVBQESA-N	-1	0	300.336	0.787	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000819720152	671134830	/nfs/dbraw/zinc/13/48/30/671134830.db2.gz	JLKOMSZOLTXOFL-NSHDSACASA-N	-1	0	318.395	0.484	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1	ZINC000852954096	671199845	/nfs/dbraw/zinc/19/98/45/671199845.db2.gz	MUDLPDAWKQOXKR-CZUORRHYSA-N	-1	0	318.329	0.840	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)COCC(F)F)cc1	ZINC000860448534	671209746	/nfs/dbraw/zinc/20/97/46/671209746.db2.gz	SIYJMCCPCUUNIX-UHFFFAOYSA-N	-1	0	304.274	0.645	20	30		DCEDRM
CC[C@@H](NN=CC1(S(=O)(=O)NC(C)(C)C)CC1)C(=O)[O-]	ZINC000853348483	671228255	/nfs/dbraw/zinc/22/82/55/671228255.db2.gz	IWQOVGONXVHDEJ-SECBINFHSA-N	-1	0	305.400	0.676	20	30		DCEDRM
COc1ccc(/C=C\C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)cc1	ZINC000821013230	671246119	/nfs/dbraw/zinc/24/61/19/671246119.db2.gz	WRAQIAOARWFECD-TWGQIWQCSA-N	-1	0	316.313	0.694	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)Cc2cncnc2)c1	ZINC000821619748	671285667	/nfs/dbraw/zinc/28/56/67/671285667.db2.gz	LKDHZIMLHMYEFD-UHFFFAOYSA-N	-1	0	302.315	0.396	20	30		DCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826379382	671486221	/nfs/dbraw/zinc/48/62/21/671486221.db2.gz	QLBMMJXLLYNSES-JTQLQIEISA-N	-1	0	313.321	0.576	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)NCC2CN(C(=O)[O-])C2)cc1	ZINC000833977879	671751076	/nfs/dbraw/zinc/75/10/76/671751076.db2.gz	UEHUFNUTVXWRHM-UHFFFAOYSA-N	-1	0	318.333	0.846	20	30		DCEDRM
CO[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000835274104	671792233	/nfs/dbraw/zinc/79/22/33/671792233.db2.gz	YCULNLSLERCOAO-CYBMUJFWSA-N	-1	0	310.375	0.994	20	30		DCEDRM
C=CCO[N-]C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O	ZINC000837045179	671843521	/nfs/dbraw/zinc/84/35/21/671843521.db2.gz	ZRQNCIKTEVJLBA-INIZCTEOSA-N	-1	0	315.329	0.614	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cn(C2CCC2)nn1	ZINC000842680831	672027921	/nfs/dbraw/zinc/02/79/21/672027921.db2.gz	AYHSCEXSIJARCT-LBPRGKRZSA-N	-1	0	319.365	0.868	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)nn1	ZINC000842705220	672029933	/nfs/dbraw/zinc/02/99/33/672029933.db2.gz	JSSDTLHIVKLLAQ-SNVBAGLBSA-N	-1	0	314.367	0.093	20	30		DCEDRM
O=C([O-])C1(C(=O)NCCNC(=O)C2N=CC=CC2=O)CCCC1	ZINC000844156141	672153992	/nfs/dbraw/zinc/15/39/92/672153992.db2.gz	JJHVXTDJYWMKJE-VAWYXSNFSA-N	-1	0	321.333	0.274	20	30		DCEDRM
CO[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C(F)(F)F	ZINC000845509966	672254454	/nfs/dbraw/zinc/25/44/54/672254454.db2.gz	CMOVENMRUWWMGG-SSDOTTSWSA-N	-1	0	314.285	0.704	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1nscc1Br	ZINC000845561407	672262061	/nfs/dbraw/zinc/26/20/61/672262061.db2.gz	SWKYANXIAHHCPB-UHFFFAOYSA-N	-1	0	324.181	0.879	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc(Cl)c1[O-])C(=O)OC	ZINC000867388552	672263291	/nfs/dbraw/zinc/26/32/91/672263291.db2.gz	PTHWQSPROQYHEY-VIFPVBQESA-N	-1	0	317.750	0.889	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000845877834	672280067	/nfs/dbraw/zinc/28/00/67/672280067.db2.gz	BWVHDMHGQPMHKK-UHFFFAOYSA-N	-1	0	317.319	0.464	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2	ZINC000846151148	672297608	/nfs/dbraw/zinc/29/76/08/672297608.db2.gz	WSZCZXYJKRSLGR-SECBINFHSA-N	-1	0	319.317	0.968	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)COc1ccc(C#N)cc1OC	ZINC000846499591	672320011	/nfs/dbraw/zinc/32/00/11/672320011.db2.gz	SGLWUVGGOUUYGV-UHFFFAOYSA-N	-1	0	307.306	0.130	20	30		DCEDRM
CN(C)S(=O)(=O)[N-]C(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC001649820258	1158180017	/nfs/dbraw/zinc/18/00/17/1158180017.db2.gz	ZCAOKVIUSURRNY-UHFFFAOYSA-N	-1	0	322.268	0.508	20	30		DCEDRM
COC1CCC(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000793196595	685343605	/nfs/dbraw/zinc/34/36/05/685343605.db2.gz	YAGLNCGCYUNOCD-UHFFFAOYSA-N	-1	0	300.380	0.941	20	30		DCEDRM
Cn1cc2c(n1)CCC[C@H]2C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000798846677	685348105	/nfs/dbraw/zinc/34/81/05/685348105.db2.gz	ALHMCNLWDVMUND-SNVBAGLBSA-N	-1	0	310.379	0.590	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)C(=O)OC	ZINC000841540336	685365521	/nfs/dbraw/zinc/36/55/21/685365521.db2.gz	OMPFHWICNVJGML-NXEZZACHSA-N	-1	0	309.334	0.906	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)C#CC1CC1	ZINC000960613568	688423317	/nfs/dbraw/zinc/42/33/17/688423317.db2.gz	NRRMVYGGKWDARC-LBPRGKRZSA-N	-1	0	303.366	0.347	20	30		DCEDRM
CN(CC#N)CCOCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001571345187	1162713347	/nfs/dbraw/zinc/71/33/47/1162713347.db2.gz	DPLPPNOCFJPWSS-UHFFFAOYSA-N	-1	0	319.321	0.130	20	30		DCEDRM
CC(C)C#CC(=O)NCC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001569700042	1161198491	/nfs/dbraw/zinc/19/84/91/1161198491.db2.gz	MGOWHSVEGHCRSA-UHFFFAOYSA-N	-1	0	319.409	0.888	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	ZINC001573769298	1163548493	/nfs/dbraw/zinc/54/84/93/1163548493.db2.gz	KYNBCRSCJRWVCR-WHOHXGKFSA-N	-1	0	315.395	0.365	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)N[C@H](C)CCC(=O)[O-])CC1	ZINC001573916562	1163585392	/nfs/dbraw/zinc/58/53/92/1163585392.db2.gz	SDXWJUXVCKWVRV-SNVBAGLBSA-N	-1	0	311.338	0.728	20	30		DCEDRM
Cc1nc(C(=O)[O-])cc(N(C)CCCc2[nH]nc(N)c2C#N)n1	ZINC001574180176	1163654162	/nfs/dbraw/zinc/65/41/62/1163654162.db2.gz	DKIBIFCIVIPYHQ-UHFFFAOYSA-N	-1	0	315.337	0.729	20	30		DCEDRM
N#CCOc1ccccc1C(=O)NCc1[nH]cnc1C(=O)[O-]	ZINC001574242013	1163672095	/nfs/dbraw/zinc/67/20/95/1163672095.db2.gz	UCFCNOSITFMTQN-UHFFFAOYSA-N	-1	0	300.274	0.940	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)NC2(CC(=O)[O-])COC2)c1	ZINC001574242503	1163672424	/nfs/dbraw/zinc/67/24/24/1163672424.db2.gz	YQXACNXWOIKDKE-UHFFFAOYSA-N	-1	0	310.331	0.275	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)cc1	ZINC001574249983	1163674636	/nfs/dbraw/zinc/67/46/36/1163674636.db2.gz	PWITYJUYWTWUOI-AAEUAGOBSA-N	-1	0	318.333	0.057	20	30		DCEDRM
COC(=O)[C@H](CC1CC1)Nc1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001579433440	1165307912	/nfs/dbraw/zinc/30/79/12/1165307912.db2.gz	GLSCRMWXIGXYFI-QMMMGPOBSA-N	-1	0	314.309	0.282	20	30		DCEDRM
C#CCCCCC(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001580726630	1165701563	/nfs/dbraw/zinc/70/15/63/1165701563.db2.gz	LNGLCSOQTGBPBH-UHFFFAOYSA-N	-1	0	306.366	0.806	20	30		DCEDRM
Cn1cc(CCCNc2cnc(C#N)c(-c3nnn[n-]3)n2)cn1	ZINC001581769650	1165872772	/nfs/dbraw/zinc/87/27/72/1165872772.db2.gz	LIKCTGZPVXSLOT-UHFFFAOYSA-N	-1	0	310.325	0.307	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCc3cccnc32)[n-]c1-c1nn[nH]n1	ZINC001581860022	1165891589	/nfs/dbraw/zinc/89/15/89/1165891589.db2.gz	HEKQJHKXCCCDRA-MRVPVSSYSA-N	-1	0	321.304	0.525	20	30		DCEDRM
N#Cc1cc(Cl)cc(Cn2cnc(-c3nnn[n-]3)cc2=O)c1	ZINC001581866656	1165894691	/nfs/dbraw/zinc/89/46/91/1165894691.db2.gz	OPNJQOXZXWXJGV-UHFFFAOYSA-N	-1	0	313.708	0.997	20	30		DCEDRM
N#Cc1ncc(NCC[C@@H](O)C(F)(F)F)nc1-c1nnn[n-]1	ZINC001581883994	1165904273	/nfs/dbraw/zinc/90/42/73/1165904273.db2.gz	GEQCRPURPFLFEU-ZCFIWIBFSA-N	-1	0	314.231	0.254	20	30		DCEDRM
C[C@H]1C(=O)N([N-]C(=O)c2ncc(C#N)cc2Cl)C(=O)N1C	ZINC001585138851	1166405184	/nfs/dbraw/zinc/40/51/84/1166405184.db2.gz	VMFJHNHXOZYVNZ-LURJTMIESA-N	-1	0	307.697	0.534	20	30		DCEDRM
C#CC[N@@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)CC1CC1	ZINC001588350525	1166541106	/nfs/dbraw/zinc/54/11/06/1166541106.db2.gz	BLFLVYSORJEZHQ-UHFFFAOYSA-N	-1	0	324.348	0.460	20	30		DCEDRM
C=C(C)C[N@@H+](C)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC001588425897	1166553984	/nfs/dbraw/zinc/55/39/84/1166553984.db2.gz	ZMSBBGMACXKGED-UHFFFAOYSA-N	-1	0	300.326	0.623	20	30		DCEDRM
C=CC[C@@H]1CCCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1	ZINC001588560671	1166562706	/nfs/dbraw/zinc/56/27/06/1166562706.db2.gz	UBNNORWUBLLCRP-WDEREUQCSA-N	-1	0	316.369	0.834	20	30		DCEDRM
C=CCn1c(CO)nnc1N1Cc2cccc(-c3nn[nH]n3)c2C1	ZINC001588702950	1166582496	/nfs/dbraw/zinc/58/24/96/1166582496.db2.gz	FLDZPOZDJQSIKV-UHFFFAOYSA-N	-1	0	324.348	0.657	20	30		DCEDRM
C=C[C@H](CO)NC(=O)NCc1ccc(-c2nn[nH]n2)cc1F	ZINC001588728912	1166582862	/nfs/dbraw/zinc/58/28/62/1166582862.db2.gz	XZTFPDQDXOATEJ-SNVBAGLBSA-N	-1	0	306.301	0.352	20	30		DCEDRM
CC(C)CO[C@@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001589640688	1166670988	/nfs/dbraw/zinc/67/09/88/1166670988.db2.gz	ULTWBPQQKFWXMM-SNVBAGLBSA-N	-1	0	314.353	0.780	20	30		DCEDRM
C[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)[C@@H]1CCCOC1	ZINC001589986989	1166739296	/nfs/dbraw/zinc/73/92/96/1166739296.db2.gz	AUKVSWZGQGQZAB-DTWKUNHWSA-N	-1	0	300.326	0.755	20	30		DCEDRM
C[C@H]1C[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)c2ncnn21	ZINC001590207872	1166815248	/nfs/dbraw/zinc/81/52/48/1166815248.db2.gz	BHKWKSGRJMBDES-NKWVEPMBSA-N	-1	0	309.297	0.238	20	30		DCEDRM
CN(CC1(O)CCCC1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001591051269	1167095132	/nfs/dbraw/zinc/09/51/32/1167095132.db2.gz	YJKKEHYCLLTWQV-UHFFFAOYSA-N	-1	0	300.326	0.270	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(-c2nn[nH]n2)cc(N(C)C)c1	ZINC001591198545	1167148830	/nfs/dbraw/zinc/14/88/30/1167148830.db2.gz	XYANXCVVADGSHT-LLVKDONJSA-N	-1	0	313.321	0.001	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)c1ccc(-c2nn[nH]n2)c(OC)c1	ZINC001591367596	1167237922	/nfs/dbraw/zinc/23/79/22/1167237922.db2.gz	AGKSVVHRGQIXAR-AWEZNQCLSA-N	-1	0	316.321	0.534	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001592113674	1167458260	/nfs/dbraw/zinc/45/82/60/1167458260.db2.gz	YFOCFWHRTICTDJ-VIFPVBQESA-N	-1	0	323.320	0.838	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1nc(-c2ccco2)no1	ZINC001592335891	1167493497	/nfs/dbraw/zinc/49/34/97/1167493497.db2.gz	LXHIZCHJTULUNN-UHFFFAOYSA-N	-1	0	323.276	0.935	20	30		DCEDRM
N#Cc1ncc(NCC2(CO)CCCC2)nc1-c1nnn[n-]1	ZINC001592710844	1167609532	/nfs/dbraw/zinc/60/95/32/1167609532.db2.gz	ZCJSSVRXEDIBNL-UHFFFAOYSA-N	-1	0	300.326	0.493	20	30		DCEDRM
COC[C@@H](NC(=O)c1[nH]c2ccccc2c1C#N)c1nnn[n-]1	ZINC001595888487	1167979202	/nfs/dbraw/zinc/97/92/02/1167979202.db2.gz	GVWHPRNMSMNFEF-LLVKDONJSA-N	-1	0	311.305	0.670	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2cc(C#N)oc2C)[C@@H](C(=O)[O-])C1	ZINC001598799320	1168039518	/nfs/dbraw/zinc/03/95/18/1168039518.db2.gz	TXJMNFBRTPNSHI-BXKDBHETSA-N	-1	0	320.301	0.938	20	30		DCEDRM
CO[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)[C@H](C(=O)[O-])C1	ZINC001599121938	1168067050	/nfs/dbraw/zinc/06/70/50/1168067050.db2.gz	HCIGRHWWTCFHQG-STQMWFEESA-N	-1	0	322.365	0.206	20	30		DCEDRM
Cc1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc(C)c1C#N	ZINC001600084393	1168115154	/nfs/dbraw/zinc/11/51/54/1168115154.db2.gz	HGJIFRVGRQCOOP-CYBMUJFWSA-N	-1	0	315.329	0.590	20	30		DCEDRM
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)NCC#CCO	ZINC001600224428	1168141080	/nfs/dbraw/zinc/14/10/80/1168141080.db2.gz	RKJSDRHWIKIQNW-UHFFFAOYSA-N	-1	0	301.295	0.106	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001600927381	1168510828	/nfs/dbraw/zinc/51/08/28/1168510828.db2.gz	GMSVLGVVZNLTKU-UHFFFAOYSA-N	-1	0	302.294	0.514	20	30		DCEDRM
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001601028976	1168571020	/nfs/dbraw/zinc/57/10/20/1168571020.db2.gz	PLPPNOFIKXAMOZ-UHFFFAOYSA-N	-1	0	307.266	0.159	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2COC[C@@H]2C2CC2)CC1	ZINC001601051807	1168577622	/nfs/dbraw/zinc/57/76/22/1168577622.db2.gz	VNNJNWFNFLUXRN-VXGBXAGGSA-N	-1	0	307.350	0.811	20	30		DCEDRM
N#CC1(CNC(=O)COCc2ocnc2C(=O)[O-])CCOCC1	ZINC001601056762	1168578043	/nfs/dbraw/zinc/57/80/43/1168578043.db2.gz	ZENNQBJCFLBMGY-UHFFFAOYSA-N	-1	0	323.305	0.326	20	30		DCEDRM
N#CC1(CS(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)CCCC1	ZINC001601058812	1168578973	/nfs/dbraw/zinc/57/89/73/1168578973.db2.gz	ZTRAXAYKGXUWMZ-CYBMUJFWSA-N	-1	0	316.379	0.481	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CCO1	ZINC001601061435	1168578998	/nfs/dbraw/zinc/57/89/98/1168578998.db2.gz	ZUKAKODAEFSYSH-IOASZLSFSA-N	-1	0	300.314	0.996	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1	ZINC001601064084	1168579834	/nfs/dbraw/zinc/57/98/34/1168579834.db2.gz	KFMOFXGFCZCWMB-CMPLNLGQSA-N	-1	0	305.334	0.428	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)C1	ZINC001601062251	1168580063	/nfs/dbraw/zinc/58/00/63/1168580063.db2.gz	GMCKWNIYKMEZQG-INIZCTEOSA-N	-1	0	317.345	0.987	20	30		DCEDRM
N#CCCNC(=O)CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1	ZINC001601068254	1168580538	/nfs/dbraw/zinc/58/05/38/1168580538.db2.gz	OVUVJIWVHLUVTG-VIFPVBQESA-N	-1	0	308.363	0.660	20	30		DCEDRM
N#CCNCc1nc2c(s1)CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C2	ZINC001601073616	1168581556	/nfs/dbraw/zinc/58/15/56/1168581556.db2.gz	FFCUJILXHQDEDO-DTWKUNHWSA-N	-1	0	320.374	0.362	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001601077693	1168582174	/nfs/dbraw/zinc/58/21/74/1168582174.db2.gz	AQHWLAXITXQJOC-ZIAGYGMSSA-N	-1	0	302.330	0.589	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001601081968	1168582922	/nfs/dbraw/zinc/58/29/22/1168582922.db2.gz	CXSYQSKVCDPAEA-LLVKDONJSA-N	-1	0	308.265	0.643	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC001601078215	1168583119	/nfs/dbraw/zinc/58/31/19/1168583119.db2.gz	IONKETBBJMDGKB-ZDUSSCGKSA-N	-1	0	315.329	0.097	20	30		DCEDRM
N#Cc1cc(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)ccn1	ZINC001601087963	1168583568	/nfs/dbraw/zinc/58/35/68/1168583568.db2.gz	SPNASKFTLKLBEZ-GFCCVEGCSA-N	-1	0	317.301	0.576	20	30		DCEDRM
N#Cc1cc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)ccc1F	ZINC001601088054	1168583626	/nfs/dbraw/zinc/58/36/26/1168583626.db2.gz	VAEDLDWOZPGFLF-GFCCVEGCSA-N	-1	0	320.276	0.930	20	30		DCEDRM
N#Cc1cc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)c[nH]1	ZINC001601087107	1168583715	/nfs/dbraw/zinc/58/37/15/1168583715.db2.gz	FJHXSIFJNRFIGL-UHFFFAOYSA-N	-1	0	305.290	0.366	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N[C@H](CC2CC2)C(=O)[O-])cc1	ZINC001601094278	1168584129	/nfs/dbraw/zinc/58/41/29/1168584129.db2.gz	QMFUPHUZHMJBOM-CYBMUJFWSA-N	-1	0	315.329	0.658	20	30		DCEDRM
N#Cc1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)c(F)c1	ZINC001601099655	1168584579	/nfs/dbraw/zinc/58/45/79/1168584579.db2.gz	DPJKHEKBOFVFAW-UHFFFAOYSA-N	-1	0	303.253	0.303	20	30		DCEDRM
N#Cc1ccc(C2(C(=O)NC[C@H](O)C(=O)[O-])CCCC2)cc1	ZINC001601097740	1168584583	/nfs/dbraw/zinc/58/45/83/1168584583.db2.gz	MKDUOBLZVUSBOY-ZDUSSCGKSA-N	-1	0	302.330	0.932	20	30		DCEDRM
N#Cc1ccc(C2(C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)CC2)cc1	ZINC001601099874	1168584773	/nfs/dbraw/zinc/58/47/73/1168584773.db2.gz	WICGKONPYWLCGU-GXTWGEPZSA-N	-1	0	314.341	0.884	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)s1	ZINC001601100030	1168584947	/nfs/dbraw/zinc/58/49/47/1168584947.db2.gz	HFCXTAUUVCPWCS-IUCAKERBSA-N	-1	0	309.347	0.597	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c1	ZINC001601103793	1168585232	/nfs/dbraw/zinc/58/52/32/1168585232.db2.gz	OJXXGMJXJCNYHZ-CYBMUJFWSA-N	-1	0	306.293	0.995	20	30		DCEDRM
N#Cc1ccc(CN2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)s1	ZINC001601101095	1168585304	/nfs/dbraw/zinc/58/53/04/1168585304.db2.gz	YEJVXRWQOWHRIB-CHWSQXEVSA-N	-1	0	319.386	0.888	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)Cn2cc(C(=O)[O-])cn2)c1	ZINC001601103022	1168585503	/nfs/dbraw/zinc/58/55/03/1168585503.db2.gz	YXIXYKAXVREIID-UHFFFAOYSA-N	-1	0	302.265	0.908	20	30		DCEDRM
N#Cc1ccc(OC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)cc1	ZINC001601108451	1168586340	/nfs/dbraw/zinc/58/63/40/1168586340.db2.gz	GDMXVYLXUIZZBH-LBPRGKRZSA-N	-1	0	302.286	0.787	20	30		DCEDRM
N#Cc1ccc(N2CCN(CC(=O)NCCC(=O)[O-])CC2)cc1	ZINC001601106136	1168586396	/nfs/dbraw/zinc/58/63/96/1168586396.db2.gz	PJFQMEJMGYITNF-UHFFFAOYSA-N	-1	0	316.361	0.271	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC(O)(C3CC3)C2)c(C(=O)[O-])c1	ZINC001601111144	1168586680	/nfs/dbraw/zinc/58/66/80/1168586680.db2.gz	UHQKCFSXVJOVOW-UHFFFAOYSA-N	-1	0	322.342	0.402	20	30		DCEDRM
N#Cc1cccc([C@@H](C(=O)[O-])N2CCn3nnc(CO)c3C2)c1	ZINC001601119546	1168587484	/nfs/dbraw/zinc/58/74/84/1168587484.db2.gz	SPCPMKUZSWVVML-AWEZNQCLSA-N	-1	0	313.317	0.284	20	30		DCEDRM
N#Cc1cccc(CC(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)c1	ZINC001601122074	1168588189	/nfs/dbraw/zinc/58/81/89/1168588189.db2.gz	BVBQVEWFRDBIIO-ZDUSSCGKSA-N	-1	0	316.313	0.720	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1	ZINC001601124879	1168588219	/nfs/dbraw/zinc/58/82/19/1168588219.db2.gz	WTMXIVGJJGNJRE-ZENOOKHLSA-N	-1	0	300.314	0.710	20	30		DCEDRM
N#Cc1cccc(CC(=O)NCCC(=O)NCCC(=O)[O-])c1	ZINC001601122654	1168588257	/nfs/dbraw/zinc/58/82/57/1168588257.db2.gz	POWYEUMVEJTALW-UHFFFAOYSA-N	-1	0	303.318	0.198	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1	ZINC001601122560	1168588448	/nfs/dbraw/zinc/58/84/48/1168588448.db2.gz	AKRFBMPRULALGT-OLZOCXBDSA-N	-1	0	324.358	0.298	20	30		DCEDRM
N#Cc1ccccc1/C=C\C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001601125144	1168588739	/nfs/dbraw/zinc/58/87/39/1168588739.db2.gz	CEIAMVBMKGFNAH-WAYWQWQTSA-N	-1	0	315.329	0.669	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001601128563	1168590118	/nfs/dbraw/zinc/59/01/18/1168590118.db2.gz	SEXKDEHXNQHWBE-GFCCVEGCSA-N	-1	0	315.333	0.838	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)c1cccc(C(=O)[O-])n1	ZINC001601128419	1168590126	/nfs/dbraw/zinc/59/01/26/1168590126.db2.gz	POESEJPYJWJXAK-UHFFFAOYSA-N	-1	0	311.301	0.888	20	30		DCEDRM
N#Cc1cnc(N(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])C2CC2)cn1	ZINC001601131046	1168590897	/nfs/dbraw/zinc/59/08/97/1168590897.db2.gz	YTRRDGAVHSJGOV-NWDGAFQWSA-N	-1	0	315.333	0.154	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)NC[C@]1(C(=O)[O-])CCOC1	ZINC001601135832	1168593749	/nfs/dbraw/zinc/59/37/49/1168593749.db2.gz	QJIMQCMIFDNWEF-LLVKDONJSA-N	-1	0	316.360	0.389	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)n1	ZINC001601136526	1168594540	/nfs/dbraw/zinc/59/45/40/1168594540.db2.gz	SCFYWQALLXVXGC-UHFFFAOYSA-N	-1	0	318.268	0.809	20	30		DCEDRM
O=C(C#CC1CC1)NCCC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001601223125	1168666628	/nfs/dbraw/zinc/66/66/28/1168666628.db2.gz	BZYONETWLUWXMC-OLZOCXBDSA-N	-1	0	318.373	0.523	20	30		DCEDRM
O=C([O-])[C@H]1CCCN(CC(=O)NCC#Cc2ccccc2)C1=O	ZINC001601308802	1168699494	/nfs/dbraw/zinc/69/94/94/1168699494.db2.gz	QZBSIVDPROOVSZ-AWEZNQCLSA-N	-1	0	314.341	0.478	20	30		DCEDRM
O=C([O-])[C@H]1CCc2sc(NC(=O)NCC#CCO)nc2C1	ZINC001601446445	1168749118	/nfs/dbraw/zinc/74/91/18/1168749118.db2.gz	NGXLQBRHIRRSAN-QMMMGPOBSA-N	-1	0	309.347	0.450	20	30		DCEDRM
O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1	ZINC001601776056	1168873846	/nfs/dbraw/zinc/87/38/46/1168873846.db2.gz	RHVDNJADFSFHER-XJFOESAGSA-N	-1	0	316.357	0.322	20	30		DCEDRM
O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(CC#Cc2ccccc2)C1	ZINC001601784980	1168896132	/nfs/dbraw/zinc/89/61/32/1168896132.db2.gz	WQEKWZPKJUNCOQ-HOTGVXAUSA-N	-1	0	312.369	0.807	20	30		DCEDRM
O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(CC#Cc2ccccc2)C1	ZINC001601784984	1168897142	/nfs/dbraw/zinc/89/71/42/1168897142.db2.gz	WQEKWZPKJUNCOQ-HZPDHXFCSA-N	-1	0	312.369	0.807	20	30		DCEDRM
O=C([O-])COCCNC(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC001602078988	1168989585	/nfs/dbraw/zinc/98/95/85/1168989585.db2.gz	STFVQBGKRABRJU-UHFFFAOYSA-N	-1	0	312.322	0.135	20	30		DCEDRM
C#C[C@H](CC)NC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001602671337	1169155696	/nfs/dbraw/zinc/15/56/96/1169155696.db2.gz	RGOXMFFHCZFTAO-GFCCVEGCSA-N	-1	0	317.345	0.963	20	30		DCEDRM
C#C[C@@H](NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)[C@H]1CCCO1	ZINC001602673765	1169156055	/nfs/dbraw/zinc/15/60/55/1169156055.db2.gz	JORZVWCPVXHIJO-VPWBDBDCSA-N	-1	0	322.361	0.300	20	30		DCEDRM
C#C[C@H]1CCCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001602676706	1169156923	/nfs/dbraw/zinc/15/69/23/1169156923.db2.gz	FUANQRXLKDONCZ-LBPRGKRZSA-N	-1	0	300.380	0.516	20	30		DCEDRM
C#CCC(C)(C)c1nnc(N2CC[C@@](OC)(C(=O)[O-])C2)n1C	ZINC001602682156	1169156939	/nfs/dbraw/zinc/15/69/39/1169156939.db2.gz	ZOTOVBOBEJBOLZ-HNNXBMFYSA-N	-1	0	306.366	0.796	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001602677220	1169157193	/nfs/dbraw/zinc/15/71/93/1169157193.db2.gz	RTJJDRJGGAEGTK-MKBNYLNASA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#CC1(O)CCN(C(=O)NCc2ccccc2CC(=O)[O-])CC1	ZINC001602676823	1169157416	/nfs/dbraw/zinc/15/74/16/1169157416.db2.gz	JCKINNRWOPJIOH-UHFFFAOYSA-N	-1	0	316.357	0.983	20	30		DCEDRM
C#C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccc(F)cc1	ZINC001602674237	1169157435	/nfs/dbraw/zinc/15/74/35/1169157435.db2.gz	NDWFDVOAXUZXJM-NSHDSACASA-N	-1	0	302.265	0.606	20	30		DCEDRM
C#CC[C@@H](NC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)C(=O)[O-]	ZINC001602685304	1169158418	/nfs/dbraw/zinc/15/84/18/1169158418.db2.gz	QXLKURIHVGIVIU-SNVBAGLBSA-N	-1	0	310.350	0.836	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@H]1C(=O)Nc2c1cccc2F)C(=O)[O-]	ZINC001602686889	1169158479	/nfs/dbraw/zinc/15/84/79/1169158479.db2.gz	AJVSUGBEOSXNIY-MWLCHTKSSA-N	-1	0	304.277	0.844	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCc1nc(-c2ccco2)no1)C(=O)[O-]	ZINC001602687790	1169160825	/nfs/dbraw/zinc/16/08/25/1169160825.db2.gz	VZWKPDPLYAGAJN-SECBINFHSA-N	-1	0	303.274	0.855	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001602691910	1169163105	/nfs/dbraw/zinc/16/31/05/1169163105.db2.gz	DFWPOODMDJWRJV-SSDOTTSWSA-N	-1	0	320.286	0.806	20	30		DCEDRM
C#CC[C@H]1CCCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1	ZINC001602701282	1169164242	/nfs/dbraw/zinc/16/42/42/1169164242.db2.gz	DTUPGUUGIYQRPV-JTQLQIEISA-N	-1	0	311.363	0.840	20	30		DCEDRM
C#CCCCS(=O)(=O)N1CC(=O)Nc2cc(C(=O)[O-])ccc21	ZINC001602710856	1169166836	/nfs/dbraw/zinc/16/68/36/1169166836.db2.gz	SDSFDHJBNCBIFH-UHFFFAOYSA-N	-1	0	322.342	0.887	20	30		DCEDRM
C#CCN(C1CSC1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001602715510	1169167487	/nfs/dbraw/zinc/16/74/87/1169167487.db2.gz	KWDQIGVVBBKNTA-UHFFFAOYSA-N	-1	0	300.361	0.452	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)COCc2ocnc2C(=O)[O-])C1	ZINC001602720733	1169169932	/nfs/dbraw/zinc/16/99/32/1169169932.db2.gz	FHQJFHWVLPETPF-NSHDSACASA-N	-1	0	321.333	0.103	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001602734507	1169176089	/nfs/dbraw/zinc/17/60/89/1169176089.db2.gz	NXYVJQUYBSURNG-NEPJUHHUSA-N	-1	0	318.329	0.998	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001602734161	1169176119	/nfs/dbraw/zinc/17/61/19/1169176119.db2.gz	FVKGKDBMNWYHRR-UHFFFAOYSA-N	-1	0	309.347	0.442	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)c1	ZINC001602733982	1169176135	/nfs/dbraw/zinc/17/61/35/1169176135.db2.gz	FLYITSKJQQIZIA-UHFFFAOYSA-N	-1	0	316.313	0.761	20	30		DCEDRM
C#Cc1ccc(CNC(=O)NCCC(=O)NCCC(=O)[O-])cc1	ZINC001602738906	1169176589	/nfs/dbraw/zinc/17/65/89/1169176589.db2.gz	RLBFCQKTVHMPPT-UHFFFAOYSA-N	-1	0	317.345	0.448	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)nc1	ZINC001602740203	1169176673	/nfs/dbraw/zinc/17/66/73/1169176673.db2.gz	ZPDDRMUFCOBHIN-WDEREUQCSA-N	-1	0	302.286	0.009	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1Cn1nnnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001602746370	1169177354	/nfs/dbraw/zinc/17/73/54/1169177354.db2.gz	BPMHVWUOTJNGJJ-SLEUVZQESA-N	-1	0	321.381	0.955	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001602747405	1169177589	/nfs/dbraw/zinc/17/75/89/1169177589.db2.gz	QOYPBMZVVZDEAB-SMDDNHRTSA-N	-1	0	320.345	0.644	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CCC[C@@]1(C)NC(=O)NC1=O)C(=O)[O-]	ZINC001602749204	1169178242	/nfs/dbraw/zinc/17/82/42/1169178242.db2.gz	DAQGPSOCMZAFIB-YMTOWFKASA-N	-1	0	311.338	0.290	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1cnc2sccn2c1=O)C(=O)[O-]	ZINC001602754839	1169179403	/nfs/dbraw/zinc/17/94/03/1169179403.db2.gz	WXCFJAZYJKGEKO-SECBINFHSA-N	-1	0	307.331	0.905	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001602764848	1169181739	/nfs/dbraw/zinc/18/17/39/1169181739.db2.gz	UFMHPBLWLJPEEK-VHSXEESVSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001602771490	1169182511	/nfs/dbraw/zinc/18/25/11/1169182511.db2.gz	WRULIGYWGNIDCX-IXPVHAAZSA-N	-1	0	308.334	0.800	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cccc(OCC(N)=O)c1	ZINC001602783231	1169183504	/nfs/dbraw/zinc/18/35/04/1169183504.db2.gz	DHNWHAAKRAZUBG-UHFFFAOYSA-N	-1	0	306.318	0.588	20	30		DCEDRM
C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C[C@H]2C1	ZINC001602805824	1169186328	/nfs/dbraw/zinc/18/63/28/1169186328.db2.gz	KRZAXHOSXNJFHJ-XQHKEYJVSA-N	-1	0	320.389	0.836	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCCN(C)c1ncc(C(=O)[O-])cn1	ZINC001602809494	1169186794	/nfs/dbraw/zinc/18/67/94/1169186794.db2.gz	HSEZYKSAOLRQTK-CQSZACIVSA-N	-1	0	308.338	0.054	20	30		DCEDRM
C=C[C@H](OC(=O)C(C)(C)NC(=O)COC(C)(C)C)C(=O)[O-]	ZINC001602819942	1169187596	/nfs/dbraw/zinc/18/75/96/1169187596.db2.gz	AQLKACLRIMWTQW-VIFPVBQESA-N	-1	0	301.339	0.879	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@](F)(C(=O)[O-])C2)n1CCOC	ZINC001602821306	1169188575	/nfs/dbraw/zinc/18/85/75/1169188575.db2.gz	ZIBQKVZPDYFHLA-NOZJJQNGSA-N	-1	0	314.317	0.147	20	30		DCEDRM
C=C[C@H](O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001602820940	1169188966	/nfs/dbraw/zinc/18/89/66/1169188966.db2.gz	QTWURUODDBBYQP-BDAKNGLRSA-N	-1	0	310.331	0.215	20	30		DCEDRM
C=CCCCN(CC)C(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001602874860	1169198130	/nfs/dbraw/zinc/19/81/30/1169198130.db2.gz	FOVOGWRDTNEHPS-NEPJUHHUSA-N	-1	0	312.366	0.502	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CSc1cccc[n+]1[O-])C(=O)[O-]	ZINC001602908643	1169202006	/nfs/dbraw/zinc/20/20/06/1169202006.db2.gz	AQTUNJKDIWJIQL-SNVBAGLBSA-N	-1	0	312.347	0.184	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C)C(=O)[O-]	ZINC001602910219	1169202913	/nfs/dbraw/zinc/20/29/13/1169202913.db2.gz	QUIYTBDBSCSHOE-XDTLVQLUSA-N	-1	0	307.350	0.848	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC001602909022	1169203579	/nfs/dbraw/zinc/20/35/79/1169203579.db2.gz	KQKMXWFTXLLQGY-CQSZACIVSA-N	-1	0	318.329	0.903	20	30		DCEDRM
C=CCn1c([C@H](O)CC)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001602932101	1169211177	/nfs/dbraw/zinc/21/11/77/1169211177.db2.gz	JRECUZQAKYYWLK-WDEREUQCSA-N	-1	0	310.354	0.587	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001602939943	1169215189	/nfs/dbraw/zinc/21/51/89/1169215189.db2.gz	CDUZRQGBIMQOME-TUAOUCFPSA-N	-1	0	310.350	0.159	20	30		DCEDRM
CC#CCCCC(=O)NCC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001602947201	1169218512	/nfs/dbraw/zinc/21/85/12/1169218512.db2.gz	RJXRQGNSRADCBO-NEPJUHHUSA-N	-1	0	306.362	0.666	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001602946134	1169218898	/nfs/dbraw/zinc/21/88/98/1169218898.db2.gz	PAHJZWTZTXIEGA-WULFKBJJSA-N	-1	0	324.377	0.472	20	30		DCEDRM
C[C@@H](C(=O)Nc1cccc(CC#N)n1)n1cnc(-c2nnn[n-]2)n1	ZINC001603027914	1169235015	/nfs/dbraw/zinc/23/50/15/1169235015.db2.gz	KKEPYHALUMZLNF-QMMMGPOBSA-N	-1	0	324.308	0.119	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001603154157	1169259088	/nfs/dbraw/zinc/25/90/88/1169259088.db2.gz	YMUASCDWKHXNHR-OXJKWZBOSA-N	-1	0	311.382	0.603	20	30		DCEDRM
C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1)n1cnc(C#N)n1	ZINC001603154100	1169260075	/nfs/dbraw/zinc/26/00/75/1169260075.db2.gz	XSGRJPAFLXPGJF-UFBFGSQYSA-N	-1	0	315.289	0.358	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001603295942	1169288348	/nfs/dbraw/zinc/28/83/48/1169288348.db2.gz	XORDWKNCFQVFKH-RYUDHWBXSA-N	-1	0	320.389	0.912	20	30		DCEDRM
C[C@@H](CNc1cnc(C#N)c(-c2nnn[n-]2)n1)Cn1ccnc1	ZINC001603559842	1169323585	/nfs/dbraw/zinc/32/35/85/1169323585.db2.gz	NBXGMVAMDOXQNF-VIFPVBQESA-N	-1	0	310.325	0.473	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC001603575654	1169329907	/nfs/dbraw/zinc/32/99/07/1169329907.db2.gz	APEAOIZVPASTHQ-LLVKDONJSA-N	-1	0	309.366	0.660	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H](CNc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001603700317	1169364987	/nfs/dbraw/zinc/36/49/87/1169364987.db2.gz	QZSJHUJYNYDYPP-LBPRGKRZSA-N	-1	0	316.361	0.563	20	30		DCEDRM
C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)C#CC1CC1	ZINC001604142756	1169505025	/nfs/dbraw/zinc/50/50/25/1169505025.db2.gz	WVIAXWCKMRWNAK-SNVBAGLBSA-N	-1	0	302.334	0.317	20	30		DCEDRM
CCCCC[C@@H](O)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001604171694	1169512916	/nfs/dbraw/zinc/51/29/16/1169512916.db2.gz	KPFKWSWZHPMRQI-MRVPVSSYSA-N	-1	0	304.314	0.341	20	30		DCEDRM
C[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ncnn1C	ZINC001604278729	1169544851	/nfs/dbraw/zinc/54/48/51/1169544851.db2.gz	FXBLYWIFQHHRDQ-SECBINFHSA-N	-1	0	306.326	0.276	20	30		DCEDRM
CCOc1ncccc1CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001604472285	1169598761	/nfs/dbraw/zinc/59/87/61/1169598761.db2.gz	BKZVUZNEWBEDSM-UHFFFAOYSA-N	-1	0	323.320	0.934	20	30		DCEDRM
C[C@@]1(C#N)CN(C(=O)COCc2ocnc2C(=O)[O-])CCO1	ZINC001604484291	1169601582	/nfs/dbraw/zinc/60/15/82/1169601582.db2.gz	DZZHOTFGSNKEIX-CYBMUJFWSA-N	-1	0	309.278	0.030	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCO1	ZINC001604484635	1169602021	/nfs/dbraw/zinc/60/20/21/1169602021.db2.gz	MAAOAFNBDLUGPB-AWEZNQCLSA-N	-1	0	324.358	0.829	20	30		DCEDRM
C[C@@H]1CC(NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)=NO1	ZINC001604672876	1169649786	/nfs/dbraw/zinc/64/97/86/1169649786.db2.gz	ARVQBWKLRXSJGT-SFYZADRCSA-N	-1	0	315.326	0.593	20	30		DCEDRM
CN(C[C@@H]1CCC[C@H]1O)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001604729650	1169664476	/nfs/dbraw/zinc/66/44/76/1169664476.db2.gz	YCXSONZLXFPOPX-WCBMZHEXSA-N	-1	0	300.326	0.126	20	30		DCEDRM
C[C@H]1CN(C(=O)CCc2ocnc2C(=O)[O-])C[C@H](C)N1CC#N	ZINC001604768822	1169675507	/nfs/dbraw/zinc/67/55/07/1169675507.db2.gz	IMSQPTWEBWWMNY-QWRGUYRKSA-N	-1	0	320.349	0.750	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCC1=O	ZINC001604804903	1169690866	/nfs/dbraw/zinc/69/08/66/1169690866.db2.gz	BZZIVWNOEYDDTN-SECBINFHSA-N	-1	0	322.342	0.856	20	30		DCEDRM
CNC(=S)NN=C1CCCc2c1c[nH]c(=O)c2-c1nnn[n-]1	ZINC001604891631	1169733117	/nfs/dbraw/zinc/73/31/17/1169733117.db2.gz	DFPLDGPSFRQODH-UHFFFAOYSA-N	-1	0	318.366	0.102	20	30		DCEDRM
COC(=O)C[C@@H](C)Sc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001604931084	1169750146	/nfs/dbraw/zinc/75/01/46/1169750146.db2.gz	LAIYZYFTSLQGQS-ZCFIWIBFSA-N	-1	0	305.323	0.572	20	30		DCEDRM
CC[C@@H](C)[C@H](NC(=O)COC(=O)c1cc(C#N)ccn1)C(=O)[O-]	ZINC001604935286	1169753996	/nfs/dbraw/zinc/75/39/96/1169753996.db2.gz	IQJRPUMYOMRQHX-RNCFNFMXSA-N	-1	0	319.317	0.726	20	30		DCEDRM
CC[C@](COC)(NS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001605057235	1169799077	/nfs/dbraw/zinc/79/90/77/1169799077.db2.gz	VAWTYUOHEILFFP-GFCCVEGCSA-N	-1	0	313.335	0.111	20	30		DCEDRM
CC[C@@H](C(=O)N(CC#N)CCC(=O)[O-])N1CCO[C@H](CC)C1	ZINC001605172992	1169855551	/nfs/dbraw/zinc/85/55/51/1169855551.db2.gz	JJNLLKDVYBDLNK-OLZOCXBDSA-N	-1	0	311.382	0.703	20	30		DCEDRM
COc1cc(CNc2ccnc(-c3nnn[n-]3)n2)ccc1C#N	ZINC001605220335	1169876031	/nfs/dbraw/zinc/87/60/31/1169876031.db2.gz	UJNRCYQSOXDGKN-UHFFFAOYSA-N	-1	0	308.305	0.571	20	30		DCEDRM
COc1cccnc1CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001605338185	1169899168	/nfs/dbraw/zinc/89/91/68/1169899168.db2.gz	YKMSFRPQGZDWSX-UHFFFAOYSA-N	-1	0	309.293	0.544	20	30		DCEDRM
C[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C	ZINC001605441778	1169921774	/nfs/dbraw/zinc/92/17/74/1169921774.db2.gz	DYXSNZVPAVXBRL-ZETCQYMHSA-N	-1	0	316.325	0.670	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC001606105439	1170077720	/nfs/dbraw/zinc/07/77/20/1170077720.db2.gz	KCWPCHSRMUOUMM-CYBMUJFWSA-N	-1	0	323.374	0.266	20	30		DCEDRM
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001606145640	1170094099	/nfs/dbraw/zinc/09/40/99/1170094099.db2.gz	IFGBJLWCDXOQDF-VIFPVBQESA-N	-1	0	313.310	0.117	20	30		DCEDRM
N#C[C@@H]1CN(Cc2nc(-c3nn[nH]n3)cs2)CCN1C1CC1	ZINC001606344934	1170163479	/nfs/dbraw/zinc/16/34/79/1170163479.db2.gz	CEYHHJQUEPRHHC-SNVBAGLBSA-N	-1	0	316.394	0.495	20	30		DCEDRM
N#C[C@@]1(F)CCN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)C1	ZINC001606344465	1170164041	/nfs/dbraw/zinc/16/40/41/1170164041.db2.gz	NDQGTOBQPVOJHC-LBPRGKRZSA-N	-1	0	322.325	0.493	20	30		DCEDRM
N#Cc1ccc(OCCn2ccc(-c3nnn[n-]3)cc2=O)cc1	ZINC001606379360	1170175801	/nfs/dbraw/zinc/17/58/01/1170175801.db2.gz	RTJKGJHPKDVLHR-UHFFFAOYSA-N	-1	0	308.301	0.979	20	30		DCEDRM
N#Cc1ncc(N2CC[C@H]([C@@H]3CCCO3)C2)nc1-c1nnn[n-]1	ZINC001606397613	1170184313	/nfs/dbraw/zinc/18/43/13/1170184313.db2.gz	VLTTXGFHLSDEOG-ONGXEEELSA-N	-1	0	312.337	0.534	20	30		DCEDRM
COC(=O)c1cc(C#N)c(=O)n(Cc2cncc(C(=O)[O-])c2)c1	ZINC001606534522	1170228980	/nfs/dbraw/zinc/22/89/80/1170228980.db2.gz	FAFJZBMLJLIJKF-UHFFFAOYSA-N	-1	0	313.269	0.648	20	30		DCEDRM
COC(=O)c1cc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)on1	ZINC001606535214	1170229687	/nfs/dbraw/zinc/22/96/87/1170229687.db2.gz	WVZDBCCCTWWEDE-UHFFFAOYSA-N	-1	0	307.262	0.292	20	30		DCEDRM
COC[C@@H](C#N)OC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001606776955	1170286783	/nfs/dbraw/zinc/28/67/83/1170286783.db2.gz	GHJYDYWHDILUJD-SECBINFHSA-N	-1	0	308.290	0.848	20	30		DCEDRM
COCc1nc(OC)cc(N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001606977826	1170343793	/nfs/dbraw/zinc/34/37/93/1170343793.db2.gz	FCCFWACAZYVTDO-UHFFFAOYSA-N	-1	0	306.322	0.826	20	30		DCEDRM
Cc1cc(C(=O)N(CC#N)CC(=O)[O-])n(C2CCOCC2)n1	ZINC001607570399	1170478016	/nfs/dbraw/zinc/47/80/16/1170478016.db2.gz	VAIGNCNVBGLTLM-UHFFFAOYSA-N	-1	0	306.322	0.593	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)ncc1C#N	ZINC001607671435	1170493670	/nfs/dbraw/zinc/49/36/70/1170493670.db2.gz	QMTUOLZIAWFZOV-JGZJWPJOSA-N	-1	0	316.317	0.522	20	30		DCEDRM
Cc1ccc(C#N)c(N(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1	ZINC001607724441	1170499911	/nfs/dbraw/zinc/49/99/11/1170499911.db2.gz	YFQAOBMMAQHKGR-RYUDHWBXSA-N	-1	0	302.334	0.535	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001607724271	1170500285	/nfs/dbraw/zinc/50/02/85/1170500285.db2.gz	KKJOJHQQHHTUOE-LBPRGKRZSA-N	-1	0	304.302	0.813	20	30		DCEDRM
Cc1ccc(C(=O)NCC(=O)N(CC#N)CCC(=O)[O-])cc1C	ZINC001607730858	1170501210	/nfs/dbraw/zinc/50/12/10/1170501210.db2.gz	OXYGRHPQLNYVPY-UHFFFAOYSA-N	-1	0	317.345	0.860	20	30		DCEDRM
Cc1[nH]nc(S(=O)(=O)NC2(C#N)CCCCC2)c1C(=O)[O-]	ZINC001607939973	1170528925	/nfs/dbraw/zinc/52/89/25/1170528925.db2.gz	INCLKQJKZUOSDL-UHFFFAOYSA-N	-1	0	312.351	0.921	20	30		DCEDRM
Cc1nc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)ccc1C#N	ZINC001607962043	1170535291	/nfs/dbraw/zinc/53/52/91/1170535291.db2.gz	LZVRWYINFNNSHL-QWHCGFSZSA-N	-1	0	314.345	0.631	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)c2cc3n[nH]nc3cc2F)CC1	ZINC001608172585	1170609432	/nfs/dbraw/zinc/60/94/32/1170609432.db2.gz	KPDDLCWABSIRCH-UHFFFAOYSA-N	-1	0	317.280	0.928	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])C1	ZINC001608181536	1170610717	/nfs/dbraw/zinc/61/07/17/1170610717.db2.gz	KVOLKMQHWNKRPR-AWEZNQCLSA-N	-1	0	324.358	0.565	20	30		DCEDRM
N#CCCN(Cc1cccnc1)CN1C[C@@H](C(=O)[O-])OC1=O	ZINC001608184273	1170611354	/nfs/dbraw/zinc/61/13/54/1170611354.db2.gz	MTVALNDTDBGGGF-LBPRGKRZSA-N	-1	0	304.306	0.660	20	30		DCEDRM
N#CCN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1ccccc1	ZINC001608182761	1170611436	/nfs/dbraw/zinc/61/14/36/1170611436.db2.gz	BAFPMSKOYCDSON-ZDUSSCGKSA-N	-1	0	315.329	0.866	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1CCCN1c1ncccn1	ZINC001608185052	1170611616	/nfs/dbraw/zinc/61/16/16/1170611616.db2.gz	ADTKCIREHSMGNJ-NSHDSACASA-N	-1	0	303.322	0.272	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC001608197832	1170613882	/nfs/dbraw/zinc/61/38/82/1170613882.db2.gz	DYJNGPPNZUCCTK-ONGXEEELSA-N	-1	0	323.255	0.659	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)NCC2(C(=O)[O-])CC2)nc1	ZINC001608208522	1170615923	/nfs/dbraw/zinc/61/59/23/1170615923.db2.gz	CVUCGSBEUXKUSO-UHFFFAOYSA-N	-1	0	303.322	0.529	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCO[C@H](C#N)C2)c(C(=O)[O-])c1	ZINC001608210695	1170616102	/nfs/dbraw/zinc/61/61/02/1170616102.db2.gz	PZYRJLIQBWTAPG-SNVBAGLBSA-N	-1	0	321.314	0.170	20	30		DCEDRM
N#Cc1ccc(NC(=O)NCCC(=O)NCCC(=O)[O-])nc1	ZINC001608208380	1170616226	/nfs/dbraw/zinc/61/62/26/1170616226.db2.gz	TYSRLFBQDSTPIE-UHFFFAOYSA-N	-1	0	305.294	0.056	20	30		DCEDRM
N#Cc1ccc(NCCN2C(=O)N[C@H](CCC(=O)[O-])C2=O)nc1	ZINC001608208676	1170616434	/nfs/dbraw/zinc/61/64/34/1170616434.db2.gz	KRBBGZNRHYRZHI-SNVBAGLBSA-N	-1	0	317.305	0.150	20	30		DCEDRM
N#Cc1ccc2ncc(CN3CCOC[C@@H]3CC(=O)[O-])n2c1	ZINC001608214741	1170617107	/nfs/dbraw/zinc/61/71/07/1170617107.db2.gz	SWGNHVJNSWKGFT-LBPRGKRZSA-N	-1	0	300.318	0.881	20	30		DCEDRM
N#Cc1cccc([C@H](NCc2nnnn2CC2CC2)C(=O)[O-])c1	ZINC001608216252	1170617570	/nfs/dbraw/zinc/61/75/70/1170617570.db2.gz	XULIHCQEIHURGP-AWEZNQCLSA-N	-1	0	312.333	0.870	20	30		DCEDRM
N#Cc1ccccc1OC[C@H](O)CN1CCOC[C@@H]1CC(=O)[O-]	ZINC001608219086	1170617990	/nfs/dbraw/zinc/61/79/90/1170617990.db2.gz	JAYBYULKLQLCQC-UONOGXRCSA-N	-1	0	320.345	0.473	20	30		DCEDRM
N#Cc1csc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1	ZINC001608221943	1170618288	/nfs/dbraw/zinc/61/82/88/1170618288.db2.gz	BEXBKPHFOANELD-OAHLLOKOSA-N	-1	0	321.402	0.981	20	30		DCEDRM
O=C([O-])[C@@H]1[C@H](CNC(=O)c2cccc(C#CCO)c2)C1(F)F	ZINC001608461987	1170685639	/nfs/dbraw/zinc/68/56/39/1170685639.db2.gz	ZMNFUKNXPUEAOZ-RYUDHWBXSA-N	-1	0	309.268	0.726	20	30		DCEDRM
O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCC#Cc2ccccc2)C1	ZINC001608603473	1170714565	/nfs/dbraw/zinc/71/45/65/1170714565.db2.gz	XVRJUMVZIKHEGY-ZIAGYGMSSA-N	-1	0	302.330	0.515	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1)C(=O)[O-]	ZINC001609076329	1170800093	/nfs/dbraw/zinc/80/00/93/1170800093.db2.gz	HWPDFFZLQBGWIT-RISCZKNCSA-N	-1	0	316.313	0.393	20	30		DCEDRM
C#CC[C@@H](NC(=O)COc1ccc(C=O)cc1OC)C(=O)[O-]	ZINC001609078698	1170802543	/nfs/dbraw/zinc/80/25/43/1170802543.db2.gz	DEUACKQFAGJSGI-LLVKDONJSA-N	-1	0	305.286	0.479	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001609105115	1170808662	/nfs/dbraw/zinc/80/86/62/1170808662.db2.gz	KEQFADWMOCPFLX-LBPRGKRZSA-N	-1	0	304.302	0.214	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cnc2onc(CC)c2c1)C(=O)[O-]	ZINC001609105169	1170810274	/nfs/dbraw/zinc/81/02/74/1170810274.db2.gz	MSSPOZIKUPDDCS-NSHDSACASA-N	-1	0	323.330	0.540	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NC(C)C[C@H]2CCC(=O)N2)o1	ZINC001609110047	1170812287	/nfs/dbraw/zinc/81/22/87/1170812287.db2.gz	IEWIUGZRVJFQDL-MRVPVSSYSA-N	-1	0	304.314	0.620	20	30		DCEDRM
C#CCOc1cccc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1	ZINC001609174945	1170843785	/nfs/dbraw/zinc/84/37/85/1170843785.db2.gz	SGUSSSBGTHMCQZ-AAEUAGOBSA-N	-1	0	318.329	0.998	20	30		DCEDRM
C=C[C@H](O)C(=O)OCc1c(C(=O)OC)sc(N)c1C(=O)[O-]	ZINC001609287257	1170912261	/nfs/dbraw/zinc/91/22/61/1170912261.db2.gz	JYWPDBVBVMVLDK-LURJTMIESA-N	-1	0	315.303	0.405	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001609341131	1170944737	/nfs/dbraw/zinc/94/47/37/1170944737.db2.gz	ZFTORKYPMNBNKC-LBPRGKRZSA-N	-1	0	324.377	0.409	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnn(-c2cccnc2)c1)C(=O)[O-]	ZINC001609442696	1170979692	/nfs/dbraw/zinc/97/96/92/1170979692.db2.gz	BMQZQXJSPGVOPP-ZDUSSCGKSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=CCOc1ccc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC001609460311	1170985593	/nfs/dbraw/zinc/98/55/93/1170985593.db2.gz	PAAMJJOPAYGCPN-OCCSQVGLSA-N	-1	0	305.330	0.840	20	30		DCEDRM
CC(C)(CNC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001609675654	1171063229	/nfs/dbraw/zinc/06/32/29/1171063229.db2.gz	QVZARAOYEZLQTG-QXMHVHEDSA-N	-1	0	309.322	0.130	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC001609725708	1171074863	/nfs/dbraw/zinc/07/48/63/1171074863.db2.gz	NLRDNQQKJJLKIY-NXEZZACHSA-N	-1	0	321.424	0.357	20	30		DCEDRM
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001609911323	1171120381	/nfs/dbraw/zinc/12/03/81/1171120381.db2.gz	PWXBRKHBEULBMF-SNVBAGLBSA-N	-1	0	319.317	0.897	20	30		DCEDRM
CN(C(=O)Cn1cnc(C#N)n1)c1ccc(OCC(=O)[O-])cc1	ZINC001610092776	1171154967	/nfs/dbraw/zinc/15/49/67/1171154967.db2.gz	LVUMEXFHUMABPD-UHFFFAOYSA-N	-1	0	315.289	0.276	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccccc1C#N	ZINC001610153349	1171179740	/nfs/dbraw/zinc/17/97/40/1171179740.db2.gz	QDGIHPYDJCYVNA-KOLCDFICSA-N	-1	0	320.301	0.458	20	30		DCEDRM
Cc1oc(CNC(=O)[C@@H](C)n2cnc(C#N)n2)cc1C(=O)[O-]	ZINC001610583408	1171260477	/nfs/dbraw/zinc/26/04/77/1171260477.db2.gz	GUPQZYBLKXMUDL-SSDOTTSWSA-N	-1	0	303.278	0.627	20	30		DCEDRM
Cn1c(C(=O)[O-])ccc1C(=O)NCCNc1ncccc1C#N	ZINC001610595502	1171261723	/nfs/dbraw/zinc/26/17/23/1171261723.db2.gz	GXTKQQABWDDNEZ-UHFFFAOYSA-N	-1	0	313.317	0.832	20	30		DCEDRM
N#CC1(NC(=O)CN2CCOC[C@@H]2CC(=O)[O-])CCCCC1	ZINC001610619874	1171270458	/nfs/dbraw/zinc/27/04/58/1171270458.db2.gz	DHWPOHVFRNNPOT-LBPRGKRZSA-N	-1	0	309.366	0.505	20	30		DCEDRM
N#Cc1cc2c(nc1N1C[C@H](C(=O)[O-])C[C@H](O)C1)CCOC2	ZINC001610626110	1171271366	/nfs/dbraw/zinc/27/13/66/1171271366.db2.gz	LDIOSTAFNLJCCB-PWSUYJOCSA-N	-1	0	303.318	0.298	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)n1	ZINC001610631170	1171272812	/nfs/dbraw/zinc/27/28/12/1171272812.db2.gz	QNTHCXAQRYYYHP-VIFPVBQESA-N	-1	0	302.290	0.215	20	30		DCEDRM
N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001610632179	1171272937	/nfs/dbraw/zinc/27/29/37/1171272937.db2.gz	FUZFRQUUNCNXEV-CHWSQXEVSA-N	-1	0	305.290	0.876	20	30		DCEDRM
COC(=O)c1ccn(CC(=O)Nc2cc(C#N)ccc2[O-])n1	ZINC001624287750	1171452684	/nfs/dbraw/zinc/45/26/84/1171452684.db2.gz	NEJHWUMOJRHNOJ-UHFFFAOYSA-N	-1	0	300.274	0.886	20	30		DCEDRM
Cn1ncc2c1n(C)cc(C(=O)[N-]Oc1cccc(C#N)c1)c2=O	ZINC001631983489	1171607712	/nfs/dbraw/zinc/60/77/12/1171607712.db2.gz	WXRREQYTIUHJAH-UHFFFAOYSA-N	-1	0	323.312	0.867	20	30		DCEDRM
Cn1cnc2ccc(NC(=O)Cn3cc(C#N)c(=O)[n-]c3=O)cc21	ZINC001639243030	1171827378	/nfs/dbraw/zinc/82/73/78/1171827378.db2.gz	WMNYLVXQDMGNOS-UHFFFAOYSA-N	-1	0	324.300	0.346	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ncnn2-c2ccccc2)c(C#N)c1=O	ZINC001639862373	1171854065	/nfs/dbraw/zinc/85/40/65/1171854065.db2.gz	HNONEQUIKPIZOQ-UHFFFAOYSA-N	-1	0	323.316	0.138	20	30		DCEDRM
CC(=Cc1ccco1)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001641033560	1171902237	/nfs/dbraw/zinc/90/22/37/1171902237.db2.gz	DLWALLLUMKDWKY-JXMROGBWSA-N	-1	0	314.301	0.633	20	30		DCEDRM
C/C(=C(/F)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001641970731	1171935522	/nfs/dbraw/zinc/93/55/22/1171935522.db2.gz	QQCHGCRKEAMLDZ-FLIBITNWSA-N	-1	0	306.297	0.590	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)c2ccc(-c3nn[nH]n3)cn2)c1	ZINC001643520628	1171979839	/nfs/dbraw/zinc/97/98/39/1171979839.db2.gz	OJUZXPISSQLXMP-UHFFFAOYSA-N	-1	0	307.273	0.857	20	30		DCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(CC#N)cc1	ZINC001645693936	1172104931	/nfs/dbraw/zinc/10/49/31/1172104931.db2.gz	BWACWRSEDFRWAJ-GFCCVEGCSA-N	-1	0	312.347	0.473	20	30		DCEDRM
COCC(COC)S(=O)(=O)[N-]C(=O)c1csc(C#N)c1	ZINC001645942257	1172189836	/nfs/dbraw/zinc/18/98/36/1172189836.db2.gz	JDARSXCNEGPBME-UHFFFAOYSA-N	-1	0	318.376	0.341	20	30		DCEDRM
CCCCSCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001646146568	1172273244	/nfs/dbraw/zinc/27/32/44/1172273244.db2.gz	AGDVAYGGYNLXBA-UHFFFAOYSA-N	-1	0	310.379	0.470	20	30		DCEDRM
C=CCC(CC=C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001646148400	1172273268	/nfs/dbraw/zinc/27/32/68/1172273268.db2.gz	RXMGSPZDZCHNEI-UHFFFAOYSA-N	-1	0	302.334	0.705	20	30		DCEDRM
Cc1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cnc1F	ZINC001646146565	1172273322	/nfs/dbraw/zinc/27/33/22/1172273322.db2.gz	AELSGIHHKHECDV-UHFFFAOYSA-N	-1	0	317.280	0.093	20	30		DCEDRM
CO[C@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)C1CCCCC1	ZINC001646636778	1172451402	/nfs/dbraw/zinc/45/14/02/1172451402.db2.gz	YSBPPKFWNDLJKJ-GFCCVEGCSA-N	-1	0	306.366	0.952	20	30		DCEDRM
Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001649702629	1173173387	/nfs/dbraw/zinc/17/33/87/1173173387.db2.gz	ZNEGZCGHFZESRX-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](CC(N)=O)C2)cc1C#N	ZINC001649803430	1173234187	/nfs/dbraw/zinc/23/41/87/1173234187.db2.gz	AJJZHOLVPJOFNJ-QMMMGPOBSA-N	-1	0	320.374	0.718	20	30		DCEDRM
CN(C)c1cccc(CN(C)c2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001650227944	1173523955	/nfs/dbraw/zinc/52/39/55/1173523955.db2.gz	NTGUOTJNYVIDIG-UHFFFAOYSA-N	-1	0	313.361	0.648	20	30		DCEDRM
Cn1ccnc1[C@@H]1N(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1(C)C	ZINC001650226934	1173524281	/nfs/dbraw/zinc/52/42/81/1173524281.db2.gz	DOCVVSLFTPGEKS-JTQLQIEISA-N	-1	0	314.349	0.266	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@H](C[C@H]3CCOC3)C2)c(C#N)c1=O	ZINC001650226927	1173524307	/nfs/dbraw/zinc/52/43/07/1173524307.db2.gz	HLROEBWPQCPQPF-VXGBXAGGSA-N	-1	0	318.377	0.588	20	30		DCEDRM
CCOC(=O)CCCCCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001650641340	1173728814	/nfs/dbraw/zinc/72/88/14/1173728814.db2.gz	JPXJQDAJEQJDST-UHFFFAOYSA-N	-1	0	322.365	0.871	20	30		DCEDRM
Cc1nc([C@@H](NS(=O)(=O)CCCC#N)c2cnn(C)c2)no1	ZINC001655461533	1173819898	/nfs/dbraw/zinc/81/98/98/1173819898.db2.gz	CSFBORQACJEIRZ-NSHDSACASA-N	-1	0	324.366	0.424	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccccc2-c2ncc[nH]2)c(C#N)c1=O	ZINC001655875689	1173829840	/nfs/dbraw/zinc/82/98/40/1173829840.db2.gz	HBGMZSIQHCHMRQ-UHFFFAOYSA-N	-1	0	322.328	0.947	20	30		DCEDRM
C=C(C)CCC(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001660925361	1174070326	/nfs/dbraw/zinc/07/03/26/1174070326.db2.gz	MBRDGGRLOUWQDS-UHFFFAOYSA-N	-1	0	322.413	0.100	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001680524026	1175830389	/nfs/dbraw/zinc/83/03/89/1175830389.db2.gz	RNLXOLSDSUHKHA-MWLCHTKSSA-N	-1	0	322.365	0.346	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)C#CC(C)(C)C)C2)c1[O-]	ZINC001689648016	1176989927	/nfs/dbraw/zinc/98/99/27/1176989927.db2.gz	LXLXEWIYFUAHPO-UHFFFAOYSA-N	-1	0	318.377	0.756	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001703887100	1179704937	/nfs/dbraw/zinc/70/49/37/1179704937.db2.gz	DVXSQMVCFCLIJL-NSHDSACASA-N	-1	0	304.350	0.414	20	30		DCEDRM
C=CCCC(=O)N(C)CCN(C)Cc1cc(=O)n2[n-]ccc2n1	ZINC001715769708	1181986354	/nfs/dbraw/zinc/98/63/54/1181986354.db2.gz	KNNSPGVUNLHFAH-UHFFFAOYSA-N	-1	0	317.393	0.879	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001720257862	1183535085	/nfs/dbraw/zinc/53/50/85/1183535085.db2.gz	ZSCUHHIJHYDYGO-MNOVXSKESA-N	-1	0	322.365	0.251	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001720926743	1183770637	/nfs/dbraw/zinc/77/06/37/1183770637.db2.gz	OOIVGEZSOHAWPQ-XLKFXECMSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C=CCC1(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)CCC1	ZINC001723453760	1184310290	/nfs/dbraw/zinc/31/02/90/1184310290.db2.gz	RIAJIDAUHLQSFL-LLVKDONJSA-N	-1	0	305.382	0.947	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001735254269	1186838695	/nfs/dbraw/zinc/83/86/95/1186838695.db2.gz	NCRAVJAIIYIGIR-MEBBXXQBSA-N	-1	0	324.381	0.233	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C#CC3CC3)C[C@H]2C)c1[O-]	ZINC001735327354	1186867732	/nfs/dbraw/zinc/86/77/32/1186867732.db2.gz	WGGQZKXUPCQHLK-SKDRFNHKSA-N	-1	0	316.361	0.556	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](CNC(=O)C#CC(C)C)C2)c1[O-]	ZINC001737598697	1187371274	/nfs/dbraw/zinc/37/12/74/1187371274.db2.gz	JIMCRQLEEBRIFH-GFCCVEGCSA-N	-1	0	318.377	0.661	20	30		DCEDRM
C=CCCOCC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001740443839	1187901478	/nfs/dbraw/zinc/90/14/78/1187901478.db2.gz	GKRANJKMZRHKPJ-UHFFFAOYSA-N	-1	0	322.365	0.301	20	30		DCEDRM
C#CCN(C(=O)c1n[nH]c(C)c1[O-])C1CCN(CC#N)CC1	ZINC001754636327	1188894715	/nfs/dbraw/zinc/89/47/15/1188894715.db2.gz	IKKSJDOTCZMTSM-UHFFFAOYSA-N	-1	0	301.350	0.487	20	30		DCEDRM
C[C@H](CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)N(C)CC#N	ZINC001755328517	1189082024	/nfs/dbraw/zinc/08/20/24/1189082024.db2.gz	QSVMBBIUCQZKDO-MRVPVSSYSA-N	-1	0	308.304	0.404	20	30		DCEDRM
C#CCN1CC(N(C)C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC001043243376	752149940	/nfs/dbraw/zinc/14/99/40/752149940.db2.gz	HQICIVKYAPCHHJ-UHFFFAOYSA-N	-1	0	304.394	0.151	20	30		DCEDRM
CC(C)(C)OC(=O)[C@H](C#N)c1cccc(N[C@@H]2CO[N-]C2=O)n1	ZINC001167513149	747348709	/nfs/dbraw/zinc/34/87/09/747348709.db2.gz	IEFUOGHFAIUGOE-MWLCHTKSSA-N	-1	0	318.333	0.872	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2CC#N)c1[O-]	ZINC001087350602	747742966	/nfs/dbraw/zinc/74/29/66/747742966.db2.gz	DLBWXNDAPKYLJB-LOWDOPEQSA-N	-1	0	315.377	0.730	20	30		DCEDRM
C[C@H]1[C@H](Nc2cnc3c(C#N)c[nH]c3c2)C(=O)N1S(=O)(=O)[O-]	ZINC001167860683	748444232	/nfs/dbraw/zinc/44/42/32/748444232.db2.gz	CXLLJPBXENFYLS-WKEGUHRASA-N	-1	0	321.318	0.249	20	30		DCEDRM
C#CCN1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@H]1C	ZINC001088977628	750752221	/nfs/dbraw/zinc/75/22/21/750752221.db2.gz	IGQJWOBAPFHHNV-ZJUUUORDSA-N	-1	0	300.318	0.754	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)Nc2ccncc2C#N)c1[O-]	ZINC001112990518	762074529	/nfs/dbraw/zinc/07/45/29/762074529.db2.gz	GZPJNITVQWIOBL-IUCAKERBSA-N	-1	0	314.349	0.731	20	30		DCEDRM
CCN(CCNc1ccncc1C#N)C(=O)c1n[nH]c(C)c1[O-]	ZINC001106725441	751247527	/nfs/dbraw/zinc/24/75/27/751247527.db2.gz	BKKRNHHCQOUZAY-UHFFFAOYSA-N	-1	0	314.349	0.687	20	30		DCEDRM
C#CCCCC(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001107901439	752507763	/nfs/dbraw/zinc/50/77/63/752507763.db2.gz	PNTGIJYGKSONMM-OAHLLOKOSA-N	-1	0	321.381	0.021	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001113164085	762172299	/nfs/dbraw/zinc/17/22/99/762172299.db2.gz	BWPIQUVMIFFEOJ-HNNXBMFYSA-N	-1	0	323.397	0.383	20	30		DCEDRM
CCS(=O)(=O)CCCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001161837457	753900908	/nfs/dbraw/zinc/90/09/08/753900908.db2.gz	GQMDKDSKNSEISS-UHFFFAOYSA-N	-1	0	311.363	0.522	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CNC(=O)[C@@H](C)C#N)c1[O-]	ZINC001062128527	754646934	/nfs/dbraw/zinc/64/69/34/754646934.db2.gz	FODOYAPSROVZKB-GXSJLCMTSA-N	-1	0	319.365	0.694	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)N(C)c2ccc(C#N)cn2)c1[O-]	ZINC001113552981	762377579	/nfs/dbraw/zinc/37/75/79/762377579.db2.gz	CGJIVUZUTROOTC-VIFPVBQESA-N	-1	0	314.349	0.945	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)Nc2ccc(C#N)cn2)c1[O-]	ZINC001097802573	755748836	/nfs/dbraw/zinc/74/88/36/755748836.db2.gz	ASBVUFVJOAAZJW-QMMMGPOBSA-N	-1	0	300.322	0.921	20	30		DCEDRM
CC#CCN1CC2(C1)CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])O2	ZINC001053589895	756107878	/nfs/dbraw/zinc/10/78/78/756107878.db2.gz	UMOMFMFUHBNYQM-GFCCVEGCSA-N	-1	0	318.377	0.410	20	30		DCEDRM
C#CCCN1CC2(C1)C[C@@H](NC(=O)c1[nH]nc(C)c1[O-])CO2	ZINC001053774928	756197092	/nfs/dbraw/zinc/19/70/92/756197092.db2.gz	MQJUDSTWMYGDDS-LLVKDONJSA-N	-1	0	304.350	0.020	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001050463128	757731630	/nfs/dbraw/zinc/73/16/30/757731630.db2.gz	JFMAJGIRTVDWPY-JTQLQIEISA-N	-1	0	304.354	0.094	20	30		DCEDRM
CC#CCN1CC[C@H]1CN(C)C(=O)c1c[n-]n2c1nccc2=O	ZINC001085860965	759398332	/nfs/dbraw/zinc/39/83/32/759398332.db2.gz	MDXVSGHMICHGEX-LBPRGKRZSA-N	-1	0	313.361	0.192	20	30		DCEDRM
CN(C[C@H]1CCN1CC#N)C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001085924047	759478525	/nfs/dbraw/zinc/47/85/25/759478525.db2.gz	NENKDHSDCNZGRZ-SECBINFHSA-N	-1	0	301.306	0.598	20	30		DCEDRM
N#CC(=C([O-])c1ccnc(N2CCOCC2)n1)c1ccncn1	ZINC001122737207	767865352	/nfs/dbraw/zinc/86/53/52/767865352.db2.gz	YUPCFQNIGCMQCC-LLVKDONJSA-N	-1	0	310.317	0.593	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C	ZINC001134415312	765516634	/nfs/dbraw/zinc/51/66/34/765516634.db2.gz	YNHNOGFBNMOWDK-CQSZACIVSA-N	-1	0	305.334	0.755	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccccc1CN1CCOCC1)C(=O)[O-]	ZINC001119581302	766738044	/nfs/dbraw/zinc/73/80/44/766738044.db2.gz	CAMAEHBOLGPSBT-HNNXBMFYSA-N	-1	0	316.357	0.725	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C(=O)[O-]	ZINC001119582284	766738750	/nfs/dbraw/zinc/73/87/50/766738750.db2.gz	VEYRIZZPEVHHAX-ZDUSSCGKSA-N	-1	0	316.361	0.040	20	30		DCEDRM
C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CO[N-]C1=O	ZINC001146230622	767412943	/nfs/dbraw/zinc/41/29/43/767412943.db2.gz	QZAJTSJPDBTXQA-RFXMVYNHSA-N	-1	0	311.338	0.002	20	30		DCEDRM
C=CCn1c(-c2noc(=O)[nH]2)nnc1N1CC[N@@H+](C)C(C)(C)C1	ZINC001121578464	767595273	/nfs/dbraw/zinc/59/52/73/767595273.db2.gz	ICJQXOQTKBPVLP-UHFFFAOYSA-N	-1	0	319.369	0.338	20	30		DCEDRM
CC(C)OCCCN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001141260643	768572911	/nfs/dbraw/zinc/57/29/11/768572911.db2.gz	VFWYQLOSGUWUSH-UHFFFAOYSA-N	-1	0	322.365	0.484	20	30		DCEDRM
N#Cc1cnccc1NCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001093760770	768716519	/nfs/dbraw/zinc/71/65/19/768716519.db2.gz	FXXUKKJYHUMLPN-UHFFFAOYSA-N	-1	0	324.300	0.459	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1	ZINC001150084727	769005569	/nfs/dbraw/zinc/00/55/69/769005569.db2.gz	GCKSGBANENUROM-LLVKDONJSA-N	-1	0	323.397	0.430	20	30		DCEDRM
N#Cc1cccc2c(OC(=O)[C@H](O)CCC(=O)[O-])ncnc12	ZINC001231030465	769154409	/nfs/dbraw/zinc/15/44/09/769154409.db2.gz	HRLUGPWWEIAYCJ-SNVBAGLBSA-N	-1	0	301.258	0.633	20	30		DCEDRM
N#CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1	ZINC001171874623	769384207	/nfs/dbraw/zinc/38/42/07/769384207.db2.gz	MDQFGDHQOSYNKH-UHFFFAOYSA-N	-1	0	304.306	0.972	20	30		DCEDRM
CSc1nc(Cl)c(/C=N/O)c(N[C@@H]2CO[N-]C2=O)n1	ZINC001156691134	770896680	/nfs/dbraw/zinc/89/66/80/770896680.db2.gz	JZVAXEJBZOXXTN-FUIUCMMLSA-N	-1	0	303.731	0.502	20	30		DCEDRM
COCCN1C[C@H](C(=O)Nc2cc(C#N)c(F)cc2[O-])CC1=O	ZINC001180891657	771191565	/nfs/dbraw/zinc/19/15/65/771191565.db2.gz	LDEMROZRUDZJOL-SNVBAGLBSA-N	-1	0	321.308	0.836	20	30		DCEDRM
N#C[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1SC(=O)[N-]C1=O	ZINC001183615910	771677616	/nfs/dbraw/zinc/67/76/16/771677616.db2.gz	ITAAEWPIJARXIW-QPUJVOFHSA-N	-1	0	305.315	0.500	20	30		DCEDRM
CC(C)C#CC(=O)N1CCCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001157940056	771697992	/nfs/dbraw/zinc/69/79/92/771697992.db2.gz	QWVULCWPXILBFH-CYBMUJFWSA-N	-1	0	319.409	0.983	20	30		DCEDRM
COc1ccc(-n2cc([O-])c(C(=O)N[C@@H](C#N)CO)n2)cc1	ZINC001157963683	771703946	/nfs/dbraw/zinc/70/39/46/771703946.db2.gz	PJWXAWNPIUEHJE-VIFPVBQESA-N	-1	0	302.290	0.201	20	30		DCEDRM
CC1(C#N)CN(C(=O)COc2ccc(OCC(=O)[O-])cc2)C1	ZINC001183904083	771717006	/nfs/dbraw/zinc/71/70/06/771717006.db2.gz	QCENAZSAOUTEDF-UHFFFAOYSA-N	-1	0	304.302	0.901	20	30		DCEDRM
CC(C)(C)OC(=O)N(CCC#N)CC(=O)NCc1n[nH]c(=O)[n-]1	ZINC001184862168	771839588	/nfs/dbraw/zinc/83/95/88/771839588.db2.gz	UKHFREDHYMEUME-UHFFFAOYSA-N	-1	0	324.341	0.277	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1cc(N)c([N+](=O)[O-])cn1	ZINC001158972035	771840792	/nfs/dbraw/zinc/84/07/92/771840792.db2.gz	VQFCEGOYGRMVAF-UHFFFAOYSA-N	-1	0	303.238	0.998	20	30		DCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1cnc(Cl)nc1	ZINC001185006285	771850250	/nfs/dbraw/zinc/85/02/50/771850250.db2.gz	VWYFQZLKNNCWPU-UHFFFAOYSA-N	-1	0	310.726	0.901	20	30		DCEDRM
C=C(C)CCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001188080638	772263982	/nfs/dbraw/zinc/26/39/82/772263982.db2.gz	FHQUBKXCOLLFLZ-NWDGAFQWSA-N	-1	0	305.382	0.899	20	30		DCEDRM
COC(=O)[C@H](CS)NC(=O)c1ccccc1S(=O)(=O)[O-]	ZINC001189698762	772518898	/nfs/dbraw/zinc/51/88/98/772518898.db2.gz	JWPZAHMRVPNCAU-QMMMGPOBSA-N	-1	0	319.360	0.135	20	30		DCEDRM
C#CCOCCOCC[N-]S(=O)(=O)c1ncc(F)cc1F	ZINC001190206970	772607262	/nfs/dbraw/zinc/60/72/62/772607262.db2.gz	BGQVFTOSMULGJN-UHFFFAOYSA-N	-1	0	320.317	0.305	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C/N=C1/NS(=O)(=O)c2ccccc21	ZINC001164414855	772655624	/nfs/dbraw/zinc/65/56/24/772655624.db2.gz	VNEAXHWGHNCGDJ-VIFPVBQESA-N	-1	0	309.347	0.347	20	30		DCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)c1ccncc1	ZINC001190855408	772683556	/nfs/dbraw/zinc/68/35/56/772683556.db2.gz	GNRVRTNHXHYEMM-UHFFFAOYSA-N	-1	0	300.303	0.797	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2nccn2Cc2ccccc2)c1=O	ZINC001166383594	772806413	/nfs/dbraw/zinc/80/64/13/772806413.db2.gz	NGUQDADDSIYOOJ-UHFFFAOYSA-N	-1	0	307.313	0.701	20	30		DCEDRM
N#C[C@H]1CNCCN1C(=O)c1nc(Br)ccc1[O-]	ZINC001191737646	772819793	/nfs/dbraw/zinc/81/97/93/772819793.db2.gz	TWKAJCLWNXZGPL-ZETCQYMHSA-N	-1	0	311.139	0.487	20	30		DCEDRM
CCOC(=O)C1([N-]S(=O)(=O)CC#N)Cc2ccccc2C1	ZINC001192993699	772985687	/nfs/dbraw/zinc/98/56/87/772985687.db2.gz	CMIGGGADXMHCGH-UHFFFAOYSA-N	-1	0	308.359	0.530	20	30		DCEDRM
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1oc(C)nc1C#N	ZINC001193024763	772996973	/nfs/dbraw/zinc/99/69/73/772996973.db2.gz	SYVDPWMJTDHXMW-UHFFFAOYSA-N	-1	0	301.324	0.938	20	30		DCEDRM
Cc1nc([N-]S(=O)(=O)[C@@H](C)C#N)cc(N2CCOCC2)n1	ZINC001193106796	773006152	/nfs/dbraw/zinc/00/61/52/773006152.db2.gz	KCWCNIREOUQZLP-VIFPVBQESA-N	-1	0	311.367	0.275	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCC3(CC2)CNC(=O)CO3)ccc1[O-]	ZINC001193504515	773075327	/nfs/dbraw/zinc/07/53/27/773075327.db2.gz	SXXKOKWJBOREPG-UHFFFAOYSA-N	-1	0	315.329	0.385	20	30		DCEDRM
COC(=O)CN1CCN(C(=O)c2ccc([O-])c(C#N)c2)CC1	ZINC001193503839	773075371	/nfs/dbraw/zinc/07/53/71/773075371.db2.gz	HJELKGRYGRFZNY-UHFFFAOYSA-N	-1	0	303.318	0.195	20	30		DCEDRM
COC(=O)[C@H]1CN(C)CCN1C(=O)c1ccc([O-])c(C#N)c1	ZINC001193504631	773075580	/nfs/dbraw/zinc/07/55/80/773075580.db2.gz	FVHLQENCMFJIFV-GFCCVEGCSA-N	-1	0	303.318	0.193	20	30		DCEDRM
CN(CC#N)[C@@H]1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	ZINC001194218961	773165283	/nfs/dbraw/zinc/16/52/83/773165283.db2.gz	ZXDJULUZLUPBOS-SECBINFHSA-N	-1	0	320.315	0.500	20	30		DCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)Cc1cccc(OC)c1	ZINC001197398388	773738739	/nfs/dbraw/zinc/73/87/39/773738739.db2.gz	GRKCGIOGHIZZCJ-LBPRGKRZSA-N	-1	0	312.347	0.570	20	30		DCEDRM
CC(=O)NCc1cc(NC(=N[O-])c2nonc2N)ccc1F	ZINC001210888001	773748176	/nfs/dbraw/zinc/74/81/76/773748176.db2.gz	JEYLHGAHMVUDPO-UHFFFAOYSA-N	-1	0	308.273	0.675	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2cnccc2C#N)c1	ZINC001201842624	774564720	/nfs/dbraw/zinc/56/47/20/774564720.db2.gz	YWUZNOZJCNXYKD-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NC[C@@H]2CC=CCC2)c(=O)[n-]c1=O	ZINC001221528854	775140505	/nfs/dbraw/zinc/14/05/05/775140505.db2.gz	BTPVIWXHCOUOGC-LLVKDONJSA-N	-1	0	317.349	0.476	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ccnc(C#N)c1	ZINC001222734126	775423299	/nfs/dbraw/zinc/42/32/99/775423299.db2.gz	FSPVNYHQWCWBDQ-ZDUSSCGKSA-N	-1	0	312.347	0.929	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001223028192	775453542	/nfs/dbraw/zinc/45/35/42/775453542.db2.gz	ZXHPYKPTZDUSMT-HNNXBMFYSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C(=O)OC)on1	ZINC001226150861	775772909	/nfs/dbraw/zinc/77/29/09/775772909.db2.gz	QMLRIQLXISNMEX-QMMMGPOBSA-N	-1	0	321.307	0.299	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2nncc(=O)[n-]2)C1	ZINC001226167571	775775796	/nfs/dbraw/zinc/77/57/96/775775796.db2.gz	GMKYFXBJWBMMRS-IUCAKERBSA-N	-1	0	307.310	0.715	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncnc2c1CCC2	ZINC001226380975	775809397	/nfs/dbraw/zinc/80/93/97/775809397.db2.gz	FMXICPLSTMTZGA-JTQLQIEISA-N	-1	0	314.363	0.803	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1[nH]c(=O)ncc1OC	ZINC001226829188	775882604	/nfs/dbraw/zinc/88/26/04/775882604.db2.gz	YOEHRKOKZJRURW-QMMMGPOBSA-N	-1	0	320.323	0.029	20	30		DCEDRM
COc1c(Cl)cnc(OC(=O)[C@H](O)CCC(=O)[O-])c1C#N	ZINC001227559664	775986619	/nfs/dbraw/zinc/98/66/19/775986619.db2.gz	PHMCMCWTUOBTCR-MRVPVSSYSA-N	-1	0	314.681	0.746	20	30		DCEDRM
N#CCN1CC[C@H](Oc2ccc(-n3nn[n-]c3=S)cc2)C1	ZINC001228436427	776083140	/nfs/dbraw/zinc/08/31/40/776083140.db2.gz	CHWSYBZIHMAJDR-LBPRGKRZSA-N	-1	0	302.363	0.928	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(OC)ncn1	ZINC001230026091	776245933	/nfs/dbraw/zinc/24/59/33/776245933.db2.gz	VXKJMRXQTDNIEW-SECBINFHSA-N	-1	0	304.324	0.323	20	30		DCEDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@](F)(C#N)C1	ZINC001600833948	1168479299	/nfs/dbraw/zinc/47/92/99/1168479299.db2.gz	SYVJOAMGHYUVGY-NSHDSACASA-N	-1	0	302.283	0.913	20	30		DCEDRM
C=CCN1C(=O)COCC12CN(Cc1ccc(C(=O)[O-])cc1)C2	ZINC001272970072	945160436	/nfs/dbraw/zinc/16/04/36/945160436.db2.gz	YSHDHMJXSCLKLZ-UHFFFAOYSA-N	-1	0	316.357	0.984	20	30		DCEDRM
C=CCOCCCC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001270567143	940926200	/nfs/dbraw/zinc/92/62/00/940926200.db2.gz	UDMYHFQQUWEONV-HNNXBMFYSA-N	-1	0	323.397	0.574	20	30		DCEDRM
C#CCCCC(=O)N(C)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001280457409	941818240	/nfs/dbraw/zinc/81/82/40/941818240.db2.gz	SBEMXFQFTAUQHF-SNVBAGLBSA-N	-1	0	306.366	0.804	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H](O)c2cccc(F)c2)c(C#N)c1=O	ZINC001412876462	942119967	/nfs/dbraw/zinc/11/99/67/942119967.db2.gz	XPDXMMXHOMMJFJ-NSHDSACASA-N	-1	0	304.281	0.230	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H](CO)CC2CCCC2)c(C#N)c1=O	ZINC001412885761	942124169	/nfs/dbraw/zinc/12/41/69/942124169.db2.gz	RTZOXKZCQKGUMY-LLVKDONJSA-N	-1	0	306.366	0.546	20	30		DCEDRM
CO[C@@H]([C@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001412970052	942162485	/nfs/dbraw/zinc/16/24/85/942162485.db2.gz	TZCHIAAWXZOORU-ZANVPECISA-N	-1	0	320.349	0.140	20	30		DCEDRM
C=CCN1C(=O)COCC12CN(C(=O)c1ccc(F)cc1[O-])C2	ZINC001272268569	942433902	/nfs/dbraw/zinc/43/39/02/942433902.db2.gz	KXYCZLGCWVVCGM-UHFFFAOYSA-N	-1	0	320.320	0.771	20	30		DCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC001413180309	942545817	/nfs/dbraw/zinc/54/58/17/942545817.db2.gz	IUMFYSPZIHNKKM-GFCCVEGCSA-N	-1	0	311.301	0.575	20	30		DCEDRM
CCN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCCOC1	ZINC001413233111	942576403	/nfs/dbraw/zinc/57/64/03/942576403.db2.gz	OSMSUTVNCFFKOP-GFCCVEGCSA-N	-1	0	320.349	0.238	20	30		DCEDRM
C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cc(=O)n(C)[n-]1	ZINC001272353809	942710699	/nfs/dbraw/zinc/71/06/99/942710699.db2.gz	GBQRGHSQTGOKBO-INIZCTEOSA-N	-1	0	318.377	0.909	20	30		DCEDRM
C#CCNC(=O)[C@@H]1CC12CCN(C(=O)c1cc(=O)n(C)[n-]1)CC2	ZINC001272355294	942711116	/nfs/dbraw/zinc/71/11/16/942711116.db2.gz	UCTKBLASBVUNRG-NSHDSACASA-N	-1	0	316.361	0.117	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001484709092	943533776	/nfs/dbraw/zinc/53/37/76/943533776.db2.gz	BNDQEDIYUROCHL-LLVKDONJSA-N	-1	0	309.370	0.184	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-]	ZINC001141495995	944146693	/nfs/dbraw/zinc/14/66/93/944146693.db2.gz	KLASUBQEVFHFHD-JTQLQIEISA-N	-1	0	301.302	0.310	20	30		DCEDRM
C=CCN1C(=O)COCC12CN(Cc1ccccc1C(=O)[O-])C2	ZINC001273171465	945610482	/nfs/dbraw/zinc/61/04/82/945610482.db2.gz	GCNXBLKQAJEXBH-UHFFFAOYSA-N	-1	0	316.357	0.984	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001320562936	945926383	/nfs/dbraw/zinc/92/63/83/945926383.db2.gz	GJRXHFBTXVLXFL-ZDUSSCGKSA-N	-1	0	305.396	0.840	20	30		DCEDRM
C=CC[C@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-]	ZINC001321276978	946248585	/nfs/dbraw/zinc/24/85/85/946248585.db2.gz	MBDIBJZCHFIDOE-VIFPVBQESA-N	-1	0	304.368	0.140	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)C(=O)[O-]	ZINC001321658746	946416982	/nfs/dbraw/zinc/41/69/82/946416982.db2.gz	VSZBLGFGKDRJDL-MNOVXSKESA-N	-1	0	318.395	0.194	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NC[C@@H]2C=CCC2)c(=O)[n-]c1=O	ZINC001254695449	946424185	/nfs/dbraw/zinc/42/41/85/946424185.db2.gz	QKTJQJUCVRXBFT-SNVBAGLBSA-N	-1	0	303.322	0.086	20	30		DCEDRM
N#CCCN(Cc1cccnc1)C(=O)c1c[n-]n2c1nccc2=O	ZINC001321826618	946478472	/nfs/dbraw/zinc/47/84/72/946478472.db2.gz	RNRDIFAHYLKQOW-UHFFFAOYSA-N	-1	0	322.328	0.974	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602674690	971242620	/nfs/dbraw/zinc/24/26/20/971242620.db2.gz	AIXCRHSJGCJSQW-BWAOXVRWSA-N	-1	0	322.361	0.442	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(NC(C)=O)cc1	ZINC001602679913	971263500	/nfs/dbraw/zinc/26/35/00/971263500.db2.gz	ZLKDAYNOTZAMTM-UHFFFAOYSA-N	-1	0	317.301	0.130	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)NCc1ccc(OCC#N)cc1	ZINC001322523506	946708392	/nfs/dbraw/zinc/70/83/92/946708392.db2.gz	HOMGPNKFABYHCZ-UHFFFAOYSA-N	-1	0	321.333	0.289	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]([C@@H]1CCOC1)C(F)(F)F	ZINC001602684088	971278586	/nfs/dbraw/zinc/27/85/86/971278586.db2.gz	QCMJHJALNVQTLI-PSASIEDQSA-N	-1	0	308.256	0.683	20	30		DCEDRM
C=CC[C@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)c1ccncc1	ZINC001322673284	946766216	/nfs/dbraw/zinc/76/62/16/946766216.db2.gz	WJNAWHIVYWTECZ-OCCSQVGLSA-N	-1	0	319.361	0.899	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC[C@@H]1COc2ccccc2O1	ZINC001602686024	971285433	/nfs/dbraw/zinc/28/54/33/971285433.db2.gz	NXOQXUIXAOJUNU-GFCCVEGCSA-N	-1	0	318.329	0.946	20	30		DCEDRM
COC(=O)c1cncc([N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC001259117720	946915377	/nfs/dbraw/zinc/91/53/77/946915377.db2.gz	BGPJZBPKSBBTLW-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2c(C#N)cnc3ccnn32)cn1	ZINC001259820681	946989817	/nfs/dbraw/zinc/98/98/17/946989817.db2.gz	KJHGGEXFGIBRNT-UHFFFAOYSA-N	-1	0	303.307	0.135	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2	ZINC001602695615	971310463	/nfs/dbraw/zinc/31/04/63/971310463.db2.gz	MMXIDAJBTCOHDJ-JTQLQIEISA-N	-1	0	304.302	0.762	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2c[nH]cn2)n1CC(=C)C	ZINC001602699132	971315722	/nfs/dbraw/zinc/31/57/22/971315722.db2.gz	JKUDHDVLJRRXLD-UHFFFAOYSA-N	-1	0	300.322	0.769	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cccc(=O)[nH]2)n1CC	ZINC001602699477	971317785	/nfs/dbraw/zinc/31/77/85/971317785.db2.gz	VWUWOQWPJIDYIU-UHFFFAOYSA-N	-1	0	301.306	0.590	20	30		DCEDRM
C[C@@H](CC#N)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260181043	947078847	/nfs/dbraw/zinc/07/88/47/947078847.db2.gz	IWMIJSHAMPXSPO-LURJTMIESA-N	-1	0	300.731	0.358	20	30		DCEDRM
C#CCOCCC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001602702901	971332016	/nfs/dbraw/zinc/33/20/16/971332016.db2.gz	XCKCHFJOWYTINF-BGMSHATGSA-N	-1	0	323.345	0.139	20	30		DCEDRM
N#C[C@@H](NS(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1)C(N)=O	ZINC001260880073	947154741	/nfs/dbraw/zinc/15/47/41/947154741.db2.gz	JOZWMYKQKCIEBU-SSDOTTSWSA-N	-1	0	324.145	0.355	20	30		DCEDRM
C=C(C)CN(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001602710272	971349942	/nfs/dbraw/zinc/34/99/42/971349942.db2.gz	SYJZQEXQRKKTSV-UHFFFAOYSA-N	-1	0	308.338	0.676	20	30		DCEDRM
C=CCCC(=O)N1CC([C@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001280624877	947288981	/nfs/dbraw/zinc/28/89/81/947288981.db2.gz	SABXOBCVTXGLOU-VIFPVBQESA-N	-1	0	306.366	0.967	20	30		DCEDRM
CCO[N-]C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1	ZINC001324170531	947339649	/nfs/dbraw/zinc/33/96/49/947339649.db2.gz	GEQUNJJQEWNPPH-UHFFFAOYSA-N	-1	0	300.278	0.145	20	30		DCEDRM
C=CCCn1cc(CN2CCO[C@@](COC)(C(=O)[O-])C2)nn1	ZINC001602721872	971383940	/nfs/dbraw/zinc/38/39/40/971383940.db2.gz	ABVCEXXKRRNZLB-AWEZNQCLSA-N	-1	0	310.354	0.156	20	30		DCEDRM
C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001602730019	971404950	/nfs/dbraw/zinc/40/49/50/971404950.db2.gz	PVDLIVWIUZMKSP-QWRGUYRKSA-N	-1	0	319.365	0.369	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)[N-]OCc1ccccc1OC	ZINC001325475943	947809829	/nfs/dbraw/zinc/80/98/29/947809829.db2.gz	RMHXMJITAQVZRG-LBPRGKRZSA-N	-1	0	308.334	0.560	20	30		DCEDRM
CO[C@H]1CCn2cc(C([O-])=C(C#N)C(=O)NC3CC3)nc2C1	ZINC001263296387	947828044	/nfs/dbraw/zinc/82/80/44/947828044.db2.gz	CZOLYWWBMUGEJP-WDEREUQCSA-N	-1	0	302.334	0.445	20	30		DCEDRM
C=CC[C@@H](NC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC001327574959	948557595	/nfs/dbraw/zinc/55/75/95/948557595.db2.gz	NDOYPHFNYAKEPS-FVCCEPFGSA-N	-1	0	313.398	0.813	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](Nc2ncccn2)C1	ZINC001602778387	971511796	/nfs/dbraw/zinc/51/17/96/971511796.db2.gz	HBPRAPYXKJRGNZ-HZMBPMFUSA-N	-1	0	303.322	0.494	20	30		DCEDRM
CC(C)c1ncncc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001574432925	948941659	/nfs/dbraw/zinc/94/16/59/948941659.db2.gz	PJEWSCCGLIWHCW-UHFFFAOYSA-N	-1	0	324.308	0.627	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(-c2nn[nH]n2)ccc1F	ZINC001602781679	971525613	/nfs/dbraw/zinc/52/56/13/971525613.db2.gz	GBOXRRPYLJOVCA-CYBMUJFWSA-N	-1	0	318.268	0.949	20	30		DCEDRM
C[C@H](C#N)CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001602786047	971531523	/nfs/dbraw/zinc/53/15/23/971531523.db2.gz	CPJMJAHUIJKEJU-ZYHUDNBSSA-N	-1	0	307.350	0.460	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1	ZINC001328725268	949056930	/nfs/dbraw/zinc/05/69/30/949056930.db2.gz	ARFYVIZEFSKQQB-NSHDSACASA-N	-1	0	308.338	0.482	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2	ZINC001602796003	971559232	/nfs/dbraw/zinc/55/92/32/971559232.db2.gz	SACFONBZCLRIIK-PSASIEDQSA-N	-1	0	318.285	0.826	20	30		DCEDRM
C[C@@H](C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)n1cnc(C#N)n1	ZINC001602795992	971559432	/nfs/dbraw/zinc/55/94/32/971559432.db2.gz	RAWFABYSYIPMEC-QMMMGPOBSA-N	-1	0	317.309	0.366	20	30		DCEDRM
C[C@]1(Br)C[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC001329026009	949299183	/nfs/dbraw/zinc/29/91/83/949299183.db2.gz	CWZGITJKLWWRNY-CBAPKCEASA-N	-1	0	321.196	0.910	20	30		DCEDRM
COC(=O)N(C)CCN(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364452433	949333389	/nfs/dbraw/zinc/33/33/89/949333389.db2.gz	ZQIDNOWSEQYCDO-UHFFFAOYSA-N	-1	0	318.337	0.437	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N2CCC(C#N)CC2)CC[C@@H]1C(=O)[O-]	ZINC001329163341	949400841	/nfs/dbraw/zinc/40/08/41/949400841.db2.gz	RNZYITBXJNSALH-JQWIXIFHSA-N	-1	0	307.350	0.318	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@H](O)[C@H]3CCCC[C@@H]32)c(C#N)c1=O	ZINC001364585977	949592220	/nfs/dbraw/zinc/59/22/20/949592220.db2.gz	QMKKWFUOKRCUES-DLOVCJGASA-N	-1	0	304.350	0.075	20	30		DCEDRM
Cn1ncc(C2CC2)c1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364582731	949593241	/nfs/dbraw/zinc/59/32/41/949593241.db2.gz	DARVXFLQQPXOEN-UHFFFAOYSA-N	-1	0	300.322	0.168	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C)c1[O-]	ZINC001490127326	950315308	/nfs/dbraw/zinc/31/53/08/950315308.db2.gz	GKOURBJKVYMSOO-SFGNSQDASA-N	-1	0	305.338	0.303	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Nc2cncc(F)c2)c(=O)[n-]c1=O	ZINC001365198229	950718996	/nfs/dbraw/zinc/71/89/96/950718996.db2.gz	MFWSKQMZCPVBTH-UHFFFAOYSA-N	-1	0	318.268	0.176	20	30		DCEDRM
CN(Cc1ccc(F)cc1F)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365208016	950736294	/nfs/dbraw/zinc/73/62/94/950736294.db2.gz	PXHKMBDTLUUNJN-UHFFFAOYSA-N	-1	0	306.272	0.860	20	30		DCEDRM
C#CCCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001280267429	950800459	/nfs/dbraw/zinc/80/04/59/950800459.db2.gz	DDKUVYCNXFDYIS-UWVGGRQHSA-N	-1	0	306.366	0.850	20	30		DCEDRM
CCOC(=O)c1cnn(CCC#N)c1NC(=O)CCC(=O)[O-]	ZINC001591268913	951103838	/nfs/dbraw/zinc/10/38/38/951103838.db2.gz	NJMWNAHVZSXKRU-UHFFFAOYSA-N	-1	0	308.294	0.777	20	30		DCEDRM
CCOC(=O)c1cnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1C	ZINC001591269186	951107208	/nfs/dbraw/zinc/10/72/08/951107208.db2.gz	WRRCIDPUSSJJFH-CYBMUJFWSA-N	-1	0	308.294	0.540	20	30		DCEDRM
CCO[C@@H]1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@]12CCCO2	ZINC001591750656	951188118	/nfs/dbraw/zinc/18/81/18/951188118.db2.gz	GUJNRIPGSUHXOK-RBDSIQFVSA-N	-1	0	310.350	0.834	20	30		DCEDRM
Cc1ccc(NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)nc1	ZINC001365777403	951527516	/nfs/dbraw/zinc/52/75/16/951527516.db2.gz	IHFJZHWJECVHPH-UHFFFAOYSA-N	-1	0	314.305	0.346	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1	ZINC001281657176	951582978	/nfs/dbraw/zinc/58/29/78/951582978.db2.gz	BYIVKDMFTWLSPH-NWDGAFQWSA-N	-1	0	305.382	0.783	20	30		DCEDRM
CCn1[n-]nnc1=NC(=O)NCc1ccc(C#N)c(OC)c1	ZINC001365823827	951585082	/nfs/dbraw/zinc/58/50/82/951585082.db2.gz	SVSTTXJOSNPXGP-UHFFFAOYSA-N	-1	0	301.310	0.317	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc([C@H]2CCCOC2)nn1C	ZINC001332627863	951728152	/nfs/dbraw/zinc/72/81/52/951728152.db2.gz	LJPGZJMFIKWWLR-MNOVXSKESA-N	-1	0	322.365	0.875	20	30		DCEDRM
C#CCCN1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1	ZINC001332655163	951746931	/nfs/dbraw/zinc/74/69/31/951746931.db2.gz	YTLJUZVBTFWKJD-UONOGXRCSA-N	-1	0	308.378	0.424	20	30		DCEDRM
C#CCN1CC2(CN(Cc3cc(C#N)ccc3[O-])C2)OCC1=O	ZINC001274667150	951778504	/nfs/dbraw/zinc/77/85/04/951778504.db2.gz	JYNZHKMHSIQIIP-UHFFFAOYSA-N	-1	0	311.341	0.310	20	30		DCEDRM
C=C(C)CN1CC[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O	ZINC001275465550	952167602	/nfs/dbraw/zinc/16/76/02/952167602.db2.gz	SASHVMCLRWMQTB-CQSZACIVSA-N	-1	0	324.406	0.599	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)/C=C(\C)CN1CCOCC1)C(=O)[O-]	ZINC001335001423	952435187	/nfs/dbraw/zinc/43/51/87/952435187.db2.gz	DKVBQAPUTCOPNP-PMDBQALLSA-N	-1	0	316.785	0.977	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)C[C@H](C)c1nnn[n-]1	ZINC001411987790	952585231	/nfs/dbraw/zinc/58/52/31/952585231.db2.gz	BYVIFMKWXWBTQW-QMMMGPOBSA-N	-1	0	301.310	0.356	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2CC(c3ccccc3)C2)c(=O)[n-]c1=O	ZINC001412072043	952632100	/nfs/dbraw/zinc/63/21/00/952632100.db2.gz	LEDDNHFSINDDQA-UHFFFAOYSA-N	-1	0	324.340	0.883	20	30		DCEDRM
CC(C)(NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CCC1	ZINC001412166267	952671143	/nfs/dbraw/zinc/67/11/43/952671143.db2.gz	XNBOFUCFZWAUHQ-UHFFFAOYSA-N	-1	0	304.350	0.906	20	30		DCEDRM
CCC[C@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)OC	ZINC001412170813	952673053	/nfs/dbraw/zinc/67/30/53/952673053.db2.gz	GLMJAEACZKYAAE-LLVKDONJSA-N	-1	0	308.338	0.142	20	30		DCEDRM
C[C@H]1CN(C(=O)c2csc(C(=O)[O-])n2)C[C@H](C)N1CC#N	ZINC001604782780	1169679817	/nfs/dbraw/zinc/67/98/17/1169679817.db2.gz	GCAILLIZQMVUMF-IUCAKERBSA-N	-1	0	308.363	0.900	20	30		DCEDRM
Cc1cccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1O	ZINC001412368903	952766913	/nfs/dbraw/zinc/76/69/13/952766913.db2.gz	ALYDULDATKWJAZ-UHFFFAOYSA-N	-1	0	314.301	0.265	20	30		DCEDRM
CC[C@@H]1CCC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001412578899	952909739	/nfs/dbraw/zinc/90/97/39/952909739.db2.gz	QJILWGDWOKJEMB-PWSUYJOCSA-N	-1	0	304.350	0.906	20	30		DCEDRM
N#Cc1cc(C(=O)N2C[C@H]3C[C@@H](CC(N)=O)O[C@H]3C2)ccc1[O-]	ZINC001276156285	952953093	/nfs/dbraw/zinc/95/30/93/952953093.db2.gz	QKZHWSLZSMMALJ-DYEKYZERSA-N	-1	0	315.329	0.369	20	30		DCEDRM
C=C(C)COCCNS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000383850751	971899139	/nfs/dbraw/zinc/89/91/39/971899139.db2.gz	WBTPGVOWTBEANL-UHFFFAOYSA-N	-1	0	300.336	0.651	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCn2cccc2C1	ZINC001340428889	953168490	/nfs/dbraw/zinc/16/84/90/953168490.db2.gz	JGPRHNSRTRPPKZ-UHFFFAOYSA-N	-1	0	311.349	0.510	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(-c2nnc(COC)o2)c1	ZINC001342582842	953296993	/nfs/dbraw/zinc/29/69/93/953296993.db2.gz	GMJXTFMCINVKEI-NSHDSACASA-N	-1	0	314.301	0.951	20	30		DCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@@H]1CCCO1	ZINC001343281672	953333606	/nfs/dbraw/zinc/33/36/06/953333606.db2.gz	CYNNDFBIXDCRKG-MNOVXSKESA-N	-1	0	316.365	0.139	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COCc1ccnn1C	ZINC001343368974	953341872	/nfs/dbraw/zinc/34/18/72/953341872.db2.gz	VWMICBGZXMDULL-NSHDSACASA-N	-1	0	301.306	0.262	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)c1nnn(C(C)(C)C)n1	ZINC001343385920	953342991	/nfs/dbraw/zinc/34/29/91/953342991.db2.gz	OPTMEHYWAIKEBK-MRVPVSSYSA-N	-1	0	301.310	0.367	20	30		DCEDRM
CCOC(=O)c1csc(C(C#N)=C([O-])c2ncn(C)n2)n1	ZINC001343479040	953349007	/nfs/dbraw/zinc/34/90/07/953349007.db2.gz	VRLNBIZSIOAJLE-ZETCQYMHSA-N	-1	0	305.319	0.938	20	30		DCEDRM
CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)C(=O)[O-]	ZINC001593624748	953545203	/nfs/dbraw/zinc/54/52/03/953545203.db2.gz	NJWPIPVAEOLMRH-VIFPVBQESA-N	-1	0	313.291	0.608	20	30		DCEDRM
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cn2)[C@@H]1C(=O)[O-]	ZINC001589333712	953967075	/nfs/dbraw/zinc/96/70/75/953967075.db2.gz	XXJALBRFZVICIB-SKDRFNHKSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CN(CC(C)(C)C#N)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001593724466	954271160	/nfs/dbraw/zinc/27/11/60/954271160.db2.gz	RDLILDXEMLFYON-UHFFFAOYSA-N	-1	0	303.384	0.509	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)NCc1ccc(OCC#N)cc1	ZINC001593731790	954321724	/nfs/dbraw/zinc/32/17/24/954321724.db2.gz	UHQFVOVSFAKCDM-UHFFFAOYSA-N	-1	0	319.317	0.138	20	30		DCEDRM
CC[C@H](CNC(=O)C(=O)N(C)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC001589514418	955058684	/nfs/dbraw/zinc/05/86/84/955058684.db2.gz	IQMGJCWGKADZOD-CYBMUJFWSA-N	-1	0	317.345	0.744	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)[C@@]1(C#N)CC12CCCC2	ZINC001593835961	955181126	/nfs/dbraw/zinc/18/11/26/955181126.db2.gz	NOZBLZUWEFTFIJ-HNNXBMFYSA-N	-1	0	308.334	0.937	20	30		DCEDRM
C=CC[C@H](NC(=O)N[C@H]1CCN(c2ccccn2)C1)C(=O)[O-]	ZINC001350759787	955182342	/nfs/dbraw/zinc/18/23/42/955182342.db2.gz	UWEAPPHAPNHRTF-RYUDHWBXSA-N	-1	0	304.350	0.989	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(CCCC)CCOC	ZINC001351852202	955430636	/nfs/dbraw/zinc/43/06/36/955430636.db2.gz	PILFQISFIYCRNJ-UHFFFAOYSA-N	-1	0	320.397	0.941	20	30		DCEDRM
Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001594523813	955483861	/nfs/dbraw/zinc/48/38/61/955483861.db2.gz	WXYLOFUASVWKIC-BDJLRTHQSA-N	-1	0	317.345	0.883	20	30		DCEDRM
COC(=O)c1cnc(COC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC001593893094	955794901	/nfs/dbraw/zinc/79/49/01/955794901.db2.gz	AOEDAKWETBBLLT-ZDUSSCGKSA-N	-1	0	307.262	0.311	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC001593918002	956046754	/nfs/dbraw/zinc/04/67/54/956046754.db2.gz	KEJTWJQLIMQNTA-ABAIWWIYSA-N	-1	0	319.317	0.423	20	30		DCEDRM
N#C[C@@]1(C(=O)NCCOCCOCC(=O)[O-])CC2CCC1CC2	ZINC001594600926	956127384	/nfs/dbraw/zinc/12/73/84/956127384.db2.gz	CTPRFQGIOCJWHF-ZUEPYMLJSA-N	-1	0	324.377	0.940	20	30		DCEDRM
N#CCOc1cc(F)ccc1NCCS(=O)(=O)CC(=O)[O-]	ZINC001594609470	956191732	/nfs/dbraw/zinc/19/17/32/956191732.db2.gz	AJHBYAFQZCZLDN-UHFFFAOYSA-N	-1	0	316.310	0.639	20	30		DCEDRM
N#CCN1CCN(C(=O)Nc2ccccc2CC(=O)[O-])CC1	ZINC001594609610	956193129	/nfs/dbraw/zinc/19/31/29/956193129.db2.gz	GDNBYMBIHVPTLG-UHFFFAOYSA-N	-1	0	302.334	0.987	20	30		DCEDRM
N#CCc1cccc(C(=O)NCCOCCOCC(=O)[O-])c1	ZINC001594611012	956209326	/nfs/dbraw/zinc/20/93/26/956209326.db2.gz	LBXWJJHUVQGQDX-UHFFFAOYSA-N	-1	0	306.318	0.600	20	30		DCEDRM
N#Cc1cc2c(n([C@@H]3CCN(CC(=O)[O-])C3=O)c1=O)CCC2	ZINC001594617245	956247454	/nfs/dbraw/zinc/24/74/54/956247454.db2.gz	GLKXBARHFCURFM-GFCCVEGCSA-N	-1	0	301.302	0.067	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)o1	ZINC001594625338	956308315	/nfs/dbraw/zinc/30/83/15/956308315.db2.gz	NDNGDYMFMKHJFF-WDEREUQCSA-N	-1	0	310.331	0.883	20	30		DCEDRM
N#Cc1ccncc1N1CCN(C(=O)CCCC(=O)[O-])CC1	ZINC001594631912	956347636	/nfs/dbraw/zinc/34/76/36/956347636.db2.gz	REZVJMPATBEQDW-UHFFFAOYSA-N	-1	0	302.334	0.857	20	30		DCEDRM
C[C@]1(C#N)CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1	ZINC001589181818	956529712	/nfs/dbraw/zinc/52/97/12/956529712.db2.gz	QCQPPUOXSBDQPR-GFCCVEGCSA-N	-1	0	314.363	0.028	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCCOC	ZINC001356546886	956892888	/nfs/dbraw/zinc/89/28/88/956892888.db2.gz	HFQJTTRQZLSYOQ-UHFFFAOYSA-N	-1	0	306.370	0.551	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC001594001781	956934717	/nfs/dbraw/zinc/93/47/17/956934717.db2.gz	VMVKFZUPNXZZRD-AWEZNQCLSA-N	-1	0	306.318	0.541	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)NCc1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC001603146050	972244383	/nfs/dbraw/zinc/24/43/83/972244383.db2.gz	YKYWRLXRGKFESQ-SECBINFHSA-N	-1	0	321.308	0.493	20	30		DCEDRM
C=CCCC(C)(C)CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001357174437	957226423	/nfs/dbraw/zinc/22/64/23/957226423.db2.gz	MWLBNYYTRMWRGD-UHFFFAOYSA-N	-1	0	311.382	0.917	20	30		DCEDRM
C#CCOCCC(=O)NCCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001294076050	957477121	/nfs/dbraw/zinc/47/71/21/957477121.db2.gz	HNWUUMBQXNIWSU-UHFFFAOYSA-N	-1	0	322.365	0.042	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)OCCc1cn(CC(=O)[O-])nn1	ZINC001594274194	957704041	/nfs/dbraw/zinc/70/40/41/957704041.db2.gz	VIFFQHGXKVRNDI-UHFFFAOYSA-N	-1	0	314.301	0.942	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCO[C@@H](C(F)F)C1)cc2=O	ZINC001414037525	957724938	/nfs/dbraw/zinc/72/49/38/957724938.db2.gz	PEQRMIKPECUWNY-SNVBAGLBSA-N	-1	0	309.276	0.772	20	30		DCEDRM
C#CC1(O)CCN(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1	ZINC001588379258	957966922	/nfs/dbraw/zinc/96/69/22/957966922.db2.gz	AEGYLZRJSUKKFE-UHFFFAOYSA-N	-1	0	320.349	0.695	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001594049446	957967055	/nfs/dbraw/zinc/96/70/55/957967055.db2.gz	VHTKVEOITYGOHS-SNVBAGLBSA-N	-1	0	317.301	0.438	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001588388349	957993206	/nfs/dbraw/zinc/99/32/06/957993206.db2.gz	RUUWOESCGWFQOC-SLMGRZLQSA-N	-1	0	322.361	0.694	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1	ZINC001588388916	958000785	/nfs/dbraw/zinc/00/07/85/958000785.db2.gz	IKCRHCKQVJIFEY-OLZOCXBDSA-N	-1	0	321.377	0.507	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1	ZINC001588388917	958000860	/nfs/dbraw/zinc/00/08/60/958000860.db2.gz	IKCRHCKQVJIFEY-QWHCGFSZSA-N	-1	0	321.377	0.507	20	30		DCEDRM
C#CCCCCCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001588390850	958016308	/nfs/dbraw/zinc/01/63/08/958016308.db2.gz	OHWCRQGSMQRZKJ-NSHDSACASA-N	-1	0	301.364	0.280	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1	ZINC001588394248	958033051	/nfs/dbraw/zinc/03/30/51/958033051.db2.gz	ADWBGWWJPMBUDK-UHFFFAOYSA-N	-1	0	319.273	0.388	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(F)ccc1OC	ZINC001588395034	958036786	/nfs/dbraw/zinc/03/67/86/958036786.db2.gz	IQMSNWZQLCPBPW-UHFFFAOYSA-N	-1	0	308.265	0.319	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2c(c1)CCCO2	ZINC001588396121	958046978	/nfs/dbraw/zinc/04/69/78/958046978.db2.gz	ULSKGEOPAJFUTG-UHFFFAOYSA-N	-1	0	316.313	0.497	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ncc(Cl)cc1CC	ZINC001588397255	958052492	/nfs/dbraw/zinc/05/24/92/958052492.db2.gz	BLUUSHQZXSYIIP-UHFFFAOYSA-N	-1	0	323.736	0.782	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@]1(C)Oc2ccccc2NC1=O	ZINC001588397444	958057605	/nfs/dbraw/zinc/05/76/05/958057605.db2.gz	IMGVNVANTCWRNM-HNNXBMFYSA-N	-1	0	302.286	0.323	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H](C)NC(=O)c1ccccc1	ZINC001588400384	958081192	/nfs/dbraw/zinc/08/11/92/958081192.db2.gz	WQHKSKWTYBGCFA-GFCCVEGCSA-N	-1	0	302.330	0.741	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCS(=O)(=O)C1CCCC1	ZINC001588402464	958091281	/nfs/dbraw/zinc/09/12/81/958091281.db2.gz	VNKILFVNGBJPHQ-UHFFFAOYSA-N	-1	0	301.364	0.280	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C	ZINC001588407189	958098362	/nfs/dbraw/zinc/09/83/62/958098362.db2.gz	HZMCEAIMJXDOFS-VXGBXAGGSA-N	-1	0	309.366	0.505	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C	ZINC001588407188	958098491	/nfs/dbraw/zinc/09/84/91/958098491.db2.gz	HZMCEAIMJXDOFS-RYUDHWBXSA-N	-1	0	309.366	0.505	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1	ZINC001588408504	958111551	/nfs/dbraw/zinc/11/15/51/958111551.db2.gz	PXCAULIKQSSECP-NFFDBFGFSA-N	-1	0	324.377	0.688	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1n1cccn1	ZINC001588410702	958142632	/nfs/dbraw/zinc/14/26/32/958142632.db2.gz	YVYHQEKGJFQZLF-BZPMIXESSA-N	-1	0	320.349	0.331	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(Cn2ccccc2=O)o1	ZINC001588415814	958159293	/nfs/dbraw/zinc/15/92/93/958159293.db2.gz	AJWIVYDRIUCXKZ-UHFFFAOYSA-N	-1	0	314.297	0.650	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)NC(=O)Nc1ccccc1	ZINC001588420107	958198333	/nfs/dbraw/zinc/19/83/33/958198333.db2.gz	MABMZXANVZOXII-LLVKDONJSA-N	-1	0	303.318	0.743	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnnn1[C@H]1C[C@@H](OC(C)(C)C)C1	ZINC001588426745	958232730	/nfs/dbraw/zinc/23/27/30/958232730.db2.gz	AWZUHSXSOLGVHI-PHIMTYICSA-N	-1	0	307.354	0.716	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)c2ccccc2)n1C	ZINC001588427010	958238035	/nfs/dbraw/zinc/23/80/35/958238035.db2.gz	JYLOTELNPOVJAQ-ZDUSSCGKSA-N	-1	0	300.318	0.421	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(=O)NC(C)C)n1CC1CC1	ZINC001588427152	958239646	/nfs/dbraw/zinc/23/96/46/958239646.db2.gz	OKVSZNZHUNDJEJ-UHFFFAOYSA-N	-1	0	319.365	0.351	20	30		DCEDRM
CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)C#CC(C)C	ZINC001297385065	958241013	/nfs/dbraw/zinc/24/10/13/958241013.db2.gz	APVKDZMZTKNOSL-LLVKDONJSA-N	-1	0	306.366	0.708	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)N2CC[C@@](COC)(C(=O)[O-])C2)C1	ZINC001588431373	958268038	/nfs/dbraw/zinc/26/80/38/958268038.db2.gz	XBEWUDRFLFMHFH-XJKSGUPXSA-N	-1	0	323.393	0.217	20	30		DCEDRM
CC(=O)c1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001361743237	958276771	/nfs/dbraw/zinc/27/67/71/958276771.db2.gz	PUWDCFFHYZNFFW-UHFFFAOYSA-N	-1	0	312.285	0.662	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)N(CC#C)CC(=O)[O-])c1	ZINC001588433039	958291578	/nfs/dbraw/zinc/29/15/78/958291578.db2.gz	ARGRFRQIETTZHH-UHFFFAOYSA-N	-1	0	314.297	0.184	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cn1	ZINC001588433545	958299069	/nfs/dbraw/zinc/29/90/69/958299069.db2.gz	SWHNWBOHUKAWOI-CYBMUJFWSA-N	-1	0	315.329	0.258	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)CC(=O)[O-])c1	ZINC001588439214	958313706	/nfs/dbraw/zinc/31/37/06/958313706.db2.gz	JQMNNXTXWDGWKM-JTQLQIEISA-N	-1	0	303.318	0.769	20	30		DCEDRM
Cc1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)ncc1C#N	ZINC001361774495	958314899	/nfs/dbraw/zinc/31/48/99/958314899.db2.gz	JUEDTJYBMGQCOK-UHFFFAOYSA-N	-1	0	309.289	0.285	20	30		DCEDRM
C=CCNC(=O)CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1	ZINC001588465336	958501434	/nfs/dbraw/zinc/50/14/34/958501434.db2.gz	CUTAVPIUYPCYIX-GFCCVEGCSA-N	-1	0	321.377	0.972	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1(CC(=O)[O-])CCC1	ZINC001588465485	958504556	/nfs/dbraw/zinc/50/45/56/958504556.db2.gz	NEEJMBHYBIHHRP-VIFPVBQESA-N	-1	0	312.322	0.575	20	30		DCEDRM
CN(C[C@@H]1CCCCO1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361958904	958539508	/nfs/dbraw/zinc/53/95/08/958539508.db2.gz	OFPMAJXCBPFCBP-LBPRGKRZSA-N	-1	0	320.349	0.238	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1CCC(C)(C(=O)[O-])CC1	ZINC001588478404	958564656	/nfs/dbraw/zinc/56/46/56/958564656.db2.gz	LFPVEUOBCMVRBY-RYUDHWBXSA-N	-1	0	321.381	0.955	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC2CCSCC2)c(=O)[n-]c1=O	ZINC001362011346	958603087	/nfs/dbraw/zinc/60/30/87/958603087.db2.gz	NJXVCMFJIQWADE-UHFFFAOYSA-N	-1	0	308.363	0.222	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CN1CCOC[C@@H]1CC(=O)[O-]	ZINC000129958235	958723654	/nfs/dbraw/zinc/72/36/54/958723654.db2.gz	WGZMHQDFIFXDCJ-JTQLQIEISA-N	-1	0	309.347	0.734	20	30		DCEDRM
COC(=O)Cc1nc(NC(=O)c2cnn(CCC#N)c2C)n[nH]1	ZINC001362158528	958844641	/nfs/dbraw/zinc/84/46/41/958844641.db2.gz	AXNMZJIZZHTDMH-UHFFFAOYSA-N	-1	0	317.309	0.191	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ncnn1-c1ccccc1	ZINC001588541869	958967096	/nfs/dbraw/zinc/96/70/96/958967096.db2.gz	NVFHWSCAWGGKJW-HNNXBMFYSA-N	-1	0	313.317	0.888	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC001588558220	959082094	/nfs/dbraw/zinc/08/20/94/959082094.db2.gz	OWAXXUJCCRKVLG-FXAINCCUSA-N	-1	0	302.277	0.921	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O	ZINC001362363253	959217362	/nfs/dbraw/zinc/21/73/62/959217362.db2.gz	XKHSADQXZCYRCA-NDMJEZRESA-N	-1	0	314.345	0.693	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)OCC#CCN1C(=O)c2ccccc2C1=O	ZINC001588583358	959276315	/nfs/dbraw/zinc/27/63/15/959276315.db2.gz	AOBDIGDSSNRANL-JTQLQIEISA-N	-1	0	315.281	0.550	20	30		DCEDRM
C[C@@H]1CCC[C@H](C(=O)[O-])N1CC(=O)N(CCC#N)CCC#N	ZINC001594213926	959313371	/nfs/dbraw/zinc/31/33/71/959313371.db2.gz	OQORIQMAQJQPTF-CHWSQXEVSA-N	-1	0	306.366	0.970	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2CC3CCC2CC3)c(=O)[n-]c1=O	ZINC001362480846	959439510	/nfs/dbraw/zinc/43/95/10/959439510.db2.gz	LFYXTMIBBSUFBM-GCZXYKMCSA-N	-1	0	316.361	0.906	20	30		DCEDRM
Cc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c(C)c1O	ZINC001362505026	959484577	/nfs/dbraw/zinc/48/45/77/959484577.db2.gz	LDYCKVXBBWZSMO-UHFFFAOYSA-N	-1	0	314.301	0.782	20	30		DCEDRM
CC(C)(C(=O)[O-])n1ccc(NC(=O)N2CCO[C@@H](C#N)C2)n1	ZINC001588623581	959556955	/nfs/dbraw/zinc/55/69/55/959556955.db2.gz	NOMVNDRXZCQHDI-VIFPVBQESA-N	-1	0	307.310	0.459	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)CO[C@@H]1CCOC1	ZINC001362547461	959572616	/nfs/dbraw/zinc/57/26/16/959572616.db2.gz	NTRMLQNLGFQNTE-ZYHUDNBSSA-N	-1	0	305.334	0.891	20	30		DCEDRM
CC1(C)[C@H](CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1(F)F	ZINC001362699304	959853522	/nfs/dbraw/zinc/85/35/22/959853522.db2.gz	KQAYFKVGBAURSF-QMMMGPOBSA-N	-1	0	312.276	0.228	20	30		DCEDRM
N#CCc1cccc2c1CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2	ZINC001362755652	959939643	/nfs/dbraw/zinc/93/96/43/959939643.db2.gz	MUPGOZGCAFPPJE-UHFFFAOYSA-N	-1	0	313.317	0.340	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](NC(N)=O)C2)cc1C#N	ZINC001362783371	959979996	/nfs/dbraw/zinc/97/99/96/959979996.db2.gz	UGUDZFAAMFPGLA-MRVPVSSYSA-N	-1	0	321.362	0.264	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC001363117877	960422777	/nfs/dbraw/zinc/42/27/77/960422777.db2.gz	ZJAWUXTTYGKQME-ZDUSSCGKSA-N	-1	0	312.333	0.408	20	30		DCEDRM
CCn1ncn([N-]C(=O)C(F)(F)c2ccccc2C#N)c1=O	ZINC001363134607	960454529	/nfs/dbraw/zinc/45/45/29/960454529.db2.gz	CXJVQQDRZXDKOM-UHFFFAOYSA-N	-1	0	307.260	0.798	20	30		DCEDRM
C[C@H](c1ccccc1)[C@@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363147570	960480023	/nfs/dbraw/zinc/48/00/23/960480023.db2.gz	FJLRJBCBBGUAJK-ZWNOBZJWSA-N	-1	0	314.345	0.522	20	30		DCEDRM
CCC(CC)(CNc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC	ZINC001363151357	960488172	/nfs/dbraw/zinc/48/81/72/960488172.db2.gz	XRXBMKZAEFLNDT-UHFFFAOYSA-N	-1	0	308.338	0.337	20	30		DCEDRM
CS[C@@H](C)CCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363289518	960801382	/nfs/dbraw/zinc/80/13/82/960801382.db2.gz	YGYZNNMWAVKGHH-VIFPVBQESA-N	-1	0	310.379	0.468	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H](c2nn[nH]n2)C1	ZINC001363293405	960814278	/nfs/dbraw/zinc/81/42/78/960814278.db2.gz	WBABOAFRYQCANC-OLZOCXBDSA-N	-1	0	312.333	0.775	20	30		DCEDRM
Cc1cc(NC(=O)Cn2cnc(C#N)n2)nc(C)c1C(=O)[O-]	ZINC001571069423	960872437	/nfs/dbraw/zinc/87/24/37/960872437.db2.gz	JVHIBEPARRNLFW-UHFFFAOYSA-N	-1	0	300.278	0.499	20	30		DCEDRM
N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nc1	ZINC001571071916	960905150	/nfs/dbraw/zinc/90/51/50/960905150.db2.gz	CIUGCIWIXHQNNG-WHOHXGKFSA-N	-1	0	300.318	0.733	20	30		DCEDRM
N#Cc1ccc(F)c(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])c1	ZINC001571079386	960979812	/nfs/dbraw/zinc/97/98/12/960979812.db2.gz	JINNSVKPJLGXFV-LLVKDONJSA-N	-1	0	303.253	0.172	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1	ZINC001571096254	961166062	/nfs/dbraw/zinc/16/60/62/961166062.db2.gz	JVQJVVZOQMJEFS-VNUHZKFNSA-N	-1	0	307.350	0.546	20	30		DCEDRM
CCC[C@@H](C)[C@@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363475337	961234685	/nfs/dbraw/zinc/23/46/85/961234685.db2.gz	KGUNQMGPIHEFGF-ZYHUDNBSSA-N	-1	0	322.365	0.124	20	30		DCEDRM
CC(=O)c1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001363482334	961246949	/nfs/dbraw/zinc/24/69/49/961246949.db2.gz	LQBRCNFWAWGKTK-UHFFFAOYSA-N	-1	0	316.273	0.046	20	30		DCEDRM
CC1(O)CCC(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001363482753	961248207	/nfs/dbraw/zinc/24/82/07/961248207.db2.gz	AFKZWHRNTXZMEX-UHFFFAOYSA-N	-1	0	320.349	0.020	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H]2CC23CCCC3)c(=O)[n-]c1=O	ZINC001363485220	961256754	/nfs/dbraw/zinc/25/67/54/961256754.db2.gz	VOCLPFUNTISPEQ-LLVKDONJSA-N	-1	0	302.334	0.517	20	30		DCEDRM
COC(C)(C)[C@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363579815	961481433	/nfs/dbraw/zinc/48/14/33/961481433.db2.gz	RUAFVTLDDNYQDY-VIFPVBQESA-N	-1	0	308.338	0.140	20	30		DCEDRM
Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)NCCC#N)C2)cn1	ZINC001574453382	961485324	/nfs/dbraw/zinc/48/53/24/961485324.db2.gz	GMSOUWXYASWWIE-MNOVXSKESA-N	-1	0	305.338	0.533	20	30		DCEDRM
Cn1cc(C(=O)CCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001571138663	961644387	/nfs/dbraw/zinc/64/43/87/961644387.db2.gz	DMBQQPUCFVESRX-UHFFFAOYSA-N	-1	0	318.333	0.600	20	30		DCEDRM
Cn1nc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1C(=O)[O-]	ZINC001571139320	961648627	/nfs/dbraw/zinc/64/86/27/961648627.db2.gz	JJLSPIOLZNDMBI-JTQLQIEISA-N	-1	0	318.337	0.322	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])c1Cl	ZINC001571141022	961664142	/nfs/dbraw/zinc/66/41/42/961664142.db2.gz	JNADPMMFWRDUCP-QMMMGPOBSA-N	-1	0	318.738	0.326	20	30		DCEDRM
N#Cc1ccc(CN2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)s1	ZINC001571143862	961699275	/nfs/dbraw/zinc/69/92/75/961699275.db2.gz	AKATWDBNDQBWKJ-CHWSQXEVSA-N	-1	0	319.386	0.985	20	30		DCEDRM
N#CC1(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCOCC1	ZINC001571145609	961736468	/nfs/dbraw/zinc/73/64/68/961736468.db2.gz	DNBGHFRALOWEEV-UHFFFAOYSA-N	-1	0	320.349	0.707	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCO[C@@H](c3ccco3)C2)c(C#N)c1=O	ZINC001363723808	961766405	/nfs/dbraw/zinc/76/64/05/961766405.db2.gz	ARPRKZSSYSCSGS-LLVKDONJSA-N	-1	0	302.290	0.116	20	30		DCEDRM
COC(=O)c1cccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001363738197	961789454	/nfs/dbraw/zinc/78/94/54/961789454.db2.gz	RXNNFGVXPDHAHE-UHFFFAOYSA-N	-1	0	314.301	0.344	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@@H]3CC[C@@]32c2cccnc2)c(C#N)c1=O	ZINC001363763196	961828976	/nfs/dbraw/zinc/82/89/76/961828976.db2.gz	QFPGPDNXSDPGEK-GTNSWQLSSA-N	-1	0	323.356	0.856	20	30		DCEDRM
CCOC(=O)c1ncc(Cn2c(=O)[n-]cc(C#N)c2=O)s1	ZINC001363765575	961833718	/nfs/dbraw/zinc/83/37/18/961833718.db2.gz	XNDWXJDKGMKHEP-UHFFFAOYSA-N	-1	0	306.303	0.090	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CC(N)=O)C1CCOCC1	ZINC001363773283	961854194	/nfs/dbraw/zinc/85/41/94/961854194.db2.gz	NKGFWYSFHWRTPF-UHFFFAOYSA-N	-1	0	318.333	0.074	20	30		DCEDRM
CCC[C@H](OCC)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364105244	962479114	/nfs/dbraw/zinc/47/91/14/962479114.db2.gz	AITJJPZFRKXRCQ-NSHDSACASA-N	-1	0	308.338	0.142	20	30		DCEDRM
CCn1[n-]nnc1=NC(=O)N1CCc2c(C#N)c(N)sc2C1	ZINC001364135435	962536357	/nfs/dbraw/zinc/53/63/57/962536357.db2.gz	VFSZHEKURQDEDZ-UHFFFAOYSA-N	-1	0	318.366	0.220	20	30		DCEDRM
COc1cc(CN(C)c2[n-]c(=O)n(C)c(=O)c2C#N)ccc1O	ZINC001364166005	962596152	/nfs/dbraw/zinc/59/61/52/962596152.db2.gz	AYSUETZAWIUBHM-UHFFFAOYSA-N	-1	0	316.317	0.296	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC(c3c[nH]cn3)CC2)c(C#N)c1=O	ZINC001364178355	962620005	/nfs/dbraw/zinc/62/00/05/962620005.db2.gz	WAOZYBDAEQVDDH-UHFFFAOYSA-N	-1	0	300.322	0.052	20	30		DCEDRM
C#CCCCCCC(=O)N(C)C[C@H]1CCN1C(=O)CNC(=O)[O-]	ZINC001573301949	962642044	/nfs/dbraw/zinc/64/20/44/962642044.db2.gz	NCDPHMPFABOFBX-CYBMUJFWSA-N	-1	0	323.393	0.897	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)CNC(=O)[O-])CC1	ZINC001573303996	962684568	/nfs/dbraw/zinc/68/45/68/962684568.db2.gz	WDPIXTMGOFSFEM-JOCQHMNTSA-N	-1	0	323.393	0.849	20	30		DCEDRM
C#CCOCCC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001573311433	962700850	/nfs/dbraw/zinc/70/08/50/962700850.db2.gz	PZYBOXBRTYPPOX-GFCCVEGCSA-N	-1	0	318.333	0.228	20	30		DCEDRM
CC(C)c1ocnc1Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001588981430	962733811	/nfs/dbraw/zinc/73/38/11/962733811.db2.gz	XTBHHNKLUPKKBA-UHFFFAOYSA-N	-1	0	318.289	0.126	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001573320873	962752674	/nfs/dbraw/zinc/75/26/74/962752674.db2.gz	FYZCATBLZITWKV-SCZZXKLOSA-N	-1	0	315.351	0.367	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573338740	962879386	/nfs/dbraw/zinc/87/93/86/962879386.db2.gz	HJHMXFUIVQMJAJ-ZJUUUORDSA-N	-1	0	314.769	0.813	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N1CCC2(CN(C(=O)CNC(=O)[O-])C2)C1	ZINC001573346584	962940339	/nfs/dbraw/zinc/94/03/39/962940339.db2.gz	DBSHOIGWVGWMKS-HNNXBMFYSA-N	-1	0	323.393	0.917	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)[C@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001573348442	962958953	/nfs/dbraw/zinc/95/89/53/962958953.db2.gz	XBQXZTJBRXDAQV-MEBBXXQBSA-N	-1	0	322.365	0.183	20	30		DCEDRM
C=CCCC(=O)N1CC[C@@H]2CN(C(=O)CNC(=O)[O-])CC[C@H]21	ZINC001573353170	962997429	/nfs/dbraw/zinc/99/74/29/962997429.db2.gz	QFKFDGABMHEMBD-VXGBXAGGSA-N	-1	0	309.366	0.670	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001573364137	963047726	/nfs/dbraw/zinc/04/77/26/963047726.db2.gz	MLYHRIXGPWPCCZ-ZMLRMANQSA-N	-1	0	315.395	0.365	20	30		DCEDRM
C=CCOCC(=O)N1C[C@H](Nc2ncc(C(=O)[O-])cn2)C[C@H]1C	ZINC001573368924	963087755	/nfs/dbraw/zinc/08/77/55/963087755.db2.gz	LIOLNWPROITYQI-ZYHUDNBSSA-N	-1	0	320.349	0.779	20	30		DCEDRM
C#CCCCCCC(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC001588440757	964043197	/nfs/dbraw/zinc/04/31/97/964043197.db2.gz	PBMTYRDPLUBJKI-UHFFFAOYSA-N	-1	0	310.394	0.816	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCCO2)C(=O)[O-]	ZINC000274928553	970313168	/nfs/dbraw/zinc/31/31/68/970313168.db2.gz	BZQRBLBSDHMAEW-LBPRGKRZSA-N	-1	0	309.343	0.766	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC001609698333	970464133	/nfs/dbraw/zinc/46/41/33/970464133.db2.gz	XCKCMQCMMAVRIZ-UWVGGRQHSA-N	-1	0	303.322	0.106	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001604304196	972954277	/nfs/dbraw/zinc/95/42/77/972954277.db2.gz	NBIIPEUIETWNOV-NSCUHMNNSA-N	-1	0	306.274	0.906	20	30		DCEDRM
Cc1ccc(Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)cc1C#N	ZINC001605282231	973078697	/nfs/dbraw/zinc/07/86/97/973078697.db2.gz	SRSLQWRJALXYJL-UHFFFAOYSA-N	-1	0	324.296	0.195	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC001604440632	973241805	/nfs/dbraw/zinc/24/18/05/973241805.db2.gz	FUMAWIYWZUMHKK-LLVKDONJSA-N	-1	0	315.289	0.486	20	30		DCEDRM
C=C(Br)CNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC000401912858	973526085	/nfs/dbraw/zinc/52/60/85/973526085.db2.gz	UYDZPYRWQBEGST-HTQZYQBOSA-N	-1	0	307.144	0.372	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(c2nnc(C(C)(C)C#N)n2C)C1	ZINC001604541898	973528508	/nfs/dbraw/zinc/52/85/08/973528508.db2.gz	WHGXHLOFSCSWJK-AWEZNQCLSA-N	-1	0	307.354	0.544	20	30		DCEDRM
COCCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001604630153	973763342	/nfs/dbraw/zinc/76/33/42/973763342.db2.gz	YXKBDJMPLFGRDY-QJPTWQEYSA-N	-1	0	319.365	0.853	20	30		DCEDRM
N#CC1(CNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CCOCC1	ZINC001605575627	973838834	/nfs/dbraw/zinc/83/88/34/973838834.db2.gz	BFRFYMFKRYJGHU-RYUDHWBXSA-N	-1	0	310.350	0.693	20	30		DCEDRM
N#C[C@]1(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)CCCOC1	ZINC001605576452	973848218	/nfs/dbraw/zinc/84/82/18/973848218.db2.gz	NUJQUKIRJZSTCO-KOXVPCQNSA-N	-1	0	322.361	0.835	20	30		DCEDRM
N#CC[C@@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)c1ccccc1	ZINC001605581973	973862869	/nfs/dbraw/zinc/86/28/69/973862869.db2.gz	QRUAKVLAJMNLIP-CYBMUJFWSA-N	-1	0	315.329	0.439	20	30		DCEDRM
N#CCCN(CCS(=O)(=O)CC(=O)[O-])Cc1ccccn1	ZINC001605585891	973878808	/nfs/dbraw/zinc/87/88/08/973878808.db2.gz	LKYSUAIABWIEQC-UHFFFAOYSA-N	-1	0	311.363	0.297	20	30		DCEDRM
N#CCN1CCC(OC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CC1	ZINC001605586344	973880613	/nfs/dbraw/zinc/88/06/13/973880613.db2.gz	UFOCYBLPBNFGRV-DGCLKSJQSA-N	-1	0	310.350	0.787	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)NCCCCC(=O)[O-])c(F)c1	ZINC001605602238	973911822	/nfs/dbraw/zinc/91/18/22/973911822.db2.gz	UYQPWMPFSJRZDQ-UHFFFAOYSA-N	-1	0	321.308	0.685	20	30		DCEDRM
COc1cc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c(F)cc1C#N	ZINC001604721701	973926375	/nfs/dbraw/zinc/92/63/75/973926375.db2.gz	IMGCXGKYRIQNNG-SSDOTTSWSA-N	-1	0	323.280	0.481	20	30		DCEDRM
N#Cc1ccc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)cc1F	ZINC001605612416	973926978	/nfs/dbraw/zinc/92/69/78/973926978.db2.gz	LCVQDNGXQWCXDH-NSHDSACASA-N	-1	0	319.292	0.959	20	30		DCEDRM
CN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])c1nccs1	ZINC001604029036	974555378	/nfs/dbraw/zinc/55/53/78/974555378.db2.gz	YAMIIUHKLIUIGV-LBPRGKRZSA-N	-1	0	311.319	0.654	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000717768917	977916783	/nfs/dbraw/zinc/91/67/83/977916783.db2.gz	APHPNBCWFNOCOG-MRVPVSSYSA-N	-1	0	317.750	0.701	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000717922061	977925812	/nfs/dbraw/zinc/92/58/12/977925812.db2.gz	WWACZRPDNLLFDB-MRVPVSSYSA-N	-1	0	303.361	0.499	20	30		DCEDRM
C=CCC(C)(C)C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001522912912	1014468303	/nfs/dbraw/zinc/46/83/03/1014468303.db2.gz	RRIKGBDQMLBDRZ-UHFFFAOYSA-N	-1	0	323.353	0.121	20	30		DCEDRM
C[C@H](CN1CCOCC1)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001592625152	978604151	/nfs/dbraw/zinc/60/41/51/978604151.db2.gz	XQGQAIFONYSBGI-GFCCVEGCSA-N	-1	0	324.381	0.107	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC001523016560	1014521428	/nfs/dbraw/zinc/52/14/28/1014521428.db2.gz	ZYDNYNKRMWNOEB-GHMZBOCLSA-N	-1	0	307.354	0.117	20	30		DCEDRM
C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccnc(C(=O)[O-])n1	ZINC001592697516	979153486	/nfs/dbraw/zinc/15/34/86/979153486.db2.gz	UMZAJEMSCYSSJI-QMMMGPOBSA-N	-1	0	314.305	0.027	20	30		DCEDRM
CC[C@](COC)(NS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-]	ZINC001595199800	979944130	/nfs/dbraw/zinc/94/41/30/979944130.db2.gz	NHWALCMWOISLFF-CYBMUJFWSA-N	-1	0	318.395	0.870	20	30		DCEDRM
C[C@H](NC(=O)C(=O)NCCCC#N)c1ncc(C(=O)[O-])s1	ZINC001592981077	980154560	/nfs/dbraw/zinc/15/45/60/980154560.db2.gz	NIQBAXLWCLWPHK-ZETCQYMHSA-N	-1	0	310.335	0.438	20	30		DCEDRM
C[C@@H](NC(=O)CSCC#N)[C@@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001593036046	980311806	/nfs/dbraw/zinc/31/18/06/980311806.db2.gz	FAMFHPRLNXUKPP-RKDXNWHRSA-N	-1	0	323.378	0.159	20	30		DCEDRM
CC[C@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC001594744803	981626596	/nfs/dbraw/zinc/62/65/96/981626596.db2.gz	AWELISSMSGUBHU-ZDUSSCGKSA-N	-1	0	302.334	0.713	20	30		DCEDRM
CCCCC[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-]	ZINC001595683363	982171476	/nfs/dbraw/zinc/17/14/76/982171476.db2.gz	PRXRHFOLUQCLQL-QWRGUYRKSA-N	-1	0	319.383	0.079	20	30		DCEDRM
CC[C@@H](C)N(CC(=O)[O-])C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001594972497	982743533	/nfs/dbraw/zinc/74/35/33/982743533.db2.gz	WAWKTIQEVTYLJP-KDGRRTAISA-N	-1	0	323.349	0.615	20	30		DCEDRM
CCCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cncc(C#N)n1	ZINC001595882679	982897442	/nfs/dbraw/zinc/89/74/42/982897442.db2.gz	LBFZGTNRUNHEEU-NEPJUHHUSA-N	-1	0	317.349	0.402	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCOC(C)(C)C1	ZINC001524239659	1014904782	/nfs/dbraw/zinc/90/47/82/1014904782.db2.gz	DQJBSVNPUWBWKL-UHFFFAOYSA-N	-1	0	318.381	0.693	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC001573534581	983055349	/nfs/dbraw/zinc/05/53/49/983055349.db2.gz	AOPINRGDDHTNKI-MXWKQRLJSA-N	-1	0	319.383	0.077	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001573535176	983055448	/nfs/dbraw/zinc/05/54/48/983055448.db2.gz	JPBLMSBFDFPSRZ-MXWKQRLJSA-N	-1	0	303.384	0.698	20	30		DCEDRM
C#CC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1	ZINC001588367190	983297778	/nfs/dbraw/zinc/29/77/78/983297778.db2.gz	KUTGZZBAWVXJNT-NOEPWBJOSA-N	-1	0	307.346	0.901	20	30		DCEDRM
C#C[C@H](CO)NC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1	ZINC001588370650	983321254	/nfs/dbraw/zinc/32/12/54/983321254.db2.gz	JSLMWAOPAPPJNO-DTWKUNHWSA-N	-1	0	310.281	0.793	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)C1CCOCC1	ZINC001588372730	983333671	/nfs/dbraw/zinc/33/36/71/983333671.db2.gz	RLMOYXSOUZPVHC-STQMWFEESA-N	-1	0	310.350	0.300	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C1CCOCC1	ZINC001588377069	983355344	/nfs/dbraw/zinc/35/53/44/983355344.db2.gz	ISXAPVNOVFLSAC-LLVKDONJSA-N	-1	0	312.347	0.420	20	30		DCEDRM
C#CC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1	ZINC001588383054	983376601	/nfs/dbraw/zinc/37/66/01/983376601.db2.gz	MZDCTHXNGGKEJO-GUYCJALGSA-N	-1	0	318.373	0.572	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CCC(CC(=O)[O-])CC2)C1	ZINC001588383200	983378132	/nfs/dbraw/zinc/37/81/32/983378132.db2.gz	ZMIBDUMEIHIFSZ-GFCCVEGCSA-N	-1	0	306.362	0.572	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001588390387	983393641	/nfs/dbraw/zinc/39/36/41/983393641.db2.gz	UBLOQQZAACGUAG-SNVBAGLBSA-N	-1	0	321.333	0.504	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)COCc1ocnc1C(=O)[O-]	ZINC001588393561	983398866	/nfs/dbraw/zinc/39/88/66/983398866.db2.gz	HQSDSWGKPJEDDY-JTQLQIEISA-N	-1	0	310.306	0.434	20	30		DCEDRM
C#CC[C@H](NC(=O)CCS(=O)(=O)C1CCCC1)C(=O)[O-]	ZINC001588404682	983418449	/nfs/dbraw/zinc/41/84/49/983418449.db2.gz	GAHZGDBJUUKUAO-NSHDSACASA-N	-1	0	301.364	0.327	20	30		DCEDRM
C#CC[C@@H](NC(=O)CNC(=O)Nc1cccc(C)c1)C(=O)[O-]	ZINC001588405642	983422159	/nfs/dbraw/zinc/42/21/59/983422159.db2.gz	RVTZWYKHCNDYII-GFCCVEGCSA-N	-1	0	303.318	0.709	20	30		DCEDRM
C#CC[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)[O-]	ZINC001588405820	983422964	/nfs/dbraw/zinc/42/29/64/983422964.db2.gz	UDUIRTAFIXPLGA-GFCCVEGCSA-N	-1	0	315.281	0.765	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)C(=O)[O-]	ZINC001588406678	983425886	/nfs/dbraw/zinc/42/58/86/983425886.db2.gz	SGBWCBJYOBFNHI-MNOVXSKESA-N	-1	0	322.361	0.836	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1cccc(NS(C)(=O)=O)c1)C(=O)[O-]	ZINC001588407624	983428583	/nfs/dbraw/zinc/42/85/83/983428583.db2.gz	LIFIKSHCSMIXAP-LBPRGKRZSA-N	-1	0	324.358	0.193	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1noc2ccc(OC)cc12)C(=O)[O-]	ZINC001588408075	983430225	/nfs/dbraw/zinc/43/02/25/983430225.db2.gz	WTJYWUBDAWWOBT-NSHDSACASA-N	-1	0	302.286	0.972	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C(C)=O)c(F)c1)C(=O)[O-]	ZINC001588424656	983456037	/nfs/dbraw/zinc/45/60/37/983456037.db2.gz	YPQOJSRXUMCHKQ-GFCCVEGCSA-N	-1	0	313.306	0.783	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])C1	ZINC001588430662	983463835	/nfs/dbraw/zinc/46/38/35/983463835.db2.gz	ANCDZYOAVKWHBV-STQMWFEESA-N	-1	0	306.362	0.714	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1	ZINC001588431466	983465120	/nfs/dbraw/zinc/46/51/20/983465120.db2.gz	JEVXLTHNCALXCP-LBPRGKRZSA-N	-1	0	309.366	0.412	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588434658	983471544	/nfs/dbraw/zinc/47/15/44/983471544.db2.gz	PSOGFXWKOJZURH-VIFPVBQESA-N	-1	0	310.331	0.275	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588434780	983472344	/nfs/dbraw/zinc/47/23/44/983472344.db2.gz	STJLTFGSAWUBAA-WDEREUQCSA-N	-1	0	320.349	0.490	20	30		DCEDRM
C#CCCOc1ccc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1	ZINC001588455922	983480907	/nfs/dbraw/zinc/48/09/07/983480907.db2.gz	WYAMXWKXSLQDOY-INIZCTEOSA-N	-1	0	303.314	0.750	20	30		DCEDRM
C#CCN(CC1CC1)S(=O)(=O)c1csnc1C(=O)[O-]	ZINC001588468239	983500435	/nfs/dbraw/zinc/50/04/35/983500435.db2.gz	SIIVNXWKYNIGOI-UHFFFAOYSA-N	-1	0	300.361	0.875	20	30		DCEDRM
C#CCNC(=O)CN1CCC[C@H](c2ncc(C(=O)[O-])s2)C1	ZINC001588484113	983522716	/nfs/dbraw/zinc/52/27/16/983522716.db2.gz	QPLIIZRAHQCDBA-JTQLQIEISA-N	-1	0	307.375	0.770	20	30		DCEDRM
C#CCOc1ccc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])cc1	ZINC001588499351	983545368	/nfs/dbraw/zinc/54/53/68/983545368.db2.gz	XYQPULXFZAYJSY-CQSZACIVSA-N	-1	0	313.313	0.778	20	30		DCEDRM
C#Cc1ccc(C(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC001588510361	983555364	/nfs/dbraw/zinc/55/53/64/983555364.db2.gz	BEKDTXJYJUYFMJ-QWHCGFSZSA-N	-1	0	300.314	0.235	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001588524201	983574168	/nfs/dbraw/zinc/57/41/68/983574168.db2.gz	BYBPPXIRYIBLOU-ZDUSSCGKSA-N	-1	0	303.314	0.543	20	30		DCEDRM
C#Cc1cncc(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(=O)OC)c1	ZINC001588528605	983577092	/nfs/dbraw/zinc/57/70/92/983577092.db2.gz	CMMUHLXARLSTBT-WCQYABFASA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC001588535749	983590924	/nfs/dbraw/zinc/59/09/24/983590924.db2.gz	RDZQVHZVSNNYAO-LPWJVIDDSA-N	-1	0	324.377	0.405	20	30		DCEDRM
CCN(CC(=O)[O-])C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC001596215187	983607939	/nfs/dbraw/zinc/60/79/39/983607939.db2.gz	QGEXPVJIWKLHGD-UHFFFAOYSA-N	-1	0	324.358	0.406	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CCn1cnc2c1ncnc2N)C(=O)[O-]	ZINC001588543154	983610954	/nfs/dbraw/zinc/61/09/54/983610954.db2.gz	XFPVWZXBNWKWMD-VIFPVBQESA-N	-1	0	318.337	0.334	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1ncc(C(N)=O)cc1Cl)C(=O)[O-]	ZINC001588547430	983619875	/nfs/dbraw/zinc/61/98/75/983619875.db2.gz	JRSHJTFCOOVPNV-SECBINFHSA-N	-1	0	311.725	0.983	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1cn2c(n1)C[C@@H](OC)CC2)C(=O)[O-]	ZINC001588547400	983619977	/nfs/dbraw/zinc/61/99/77/983619977.db2.gz	AQXFUHYTVHYOLR-QWRGUYRKSA-N	-1	0	307.350	0.994	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2	ZINC001596231222	983626234	/nfs/dbraw/zinc/62/62/34/983626234.db2.gz	IKDBMNHEYQTRLA-ZBOXLXRLSA-N	-1	0	315.395	0.794	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001596231371	983626348	/nfs/dbraw/zinc/62/63/48/983626348.db2.gz	NGNPUCYQPSQEGM-SNVBAGLBSA-N	-1	0	316.317	0.426	20	30		DCEDRM
C=C(CC)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC001588605933	983695725	/nfs/dbraw/zinc/69/57/25/983695725.db2.gz	QVPPYQTUHOYZHI-CYBMUJFWSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O	ZINC001588614816	983709046	/nfs/dbraw/zinc/70/90/46/983709046.db2.gz	CRIOXYRAKYDDMK-BMIGLBTASA-N	-1	0	323.349	0.387	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21	ZINC001588618870	983713361	/nfs/dbraw/zinc/71/33/61/983713361.db2.gz	CVMIUACDQVVOJI-NWDGAFQWSA-N	-1	0	315.391	0.976	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCOC[C@H]1OCCOC	ZINC001588623629	983728869	/nfs/dbraw/zinc/72/88/69/983728869.db2.gz	UGSTUVZMWMFNGC-VXGBXAGGSA-N	-1	0	301.339	0.344	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001596300313	983729154	/nfs/dbraw/zinc/72/91/54/983729154.db2.gz	UJCJZCYHVUDKME-SNVBAGLBSA-N	-1	0	321.424	0.216	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1nc(C)cc(C#N)n1	ZINC001596332904	983771415	/nfs/dbraw/zinc/77/14/15/983771415.db2.gz	MHJLEHISEUQTCC-NEPJUHHUSA-N	-1	0	317.349	0.320	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN([C@H](C)C(=O)NC2CCCC2)CC1	ZINC001588669704	983814788	/nfs/dbraw/zinc/81/47/88/983814788.db2.gz	NSWLSRZDDHJHTL-TZMCWYRMSA-N	-1	0	309.410	0.691	20	30		DCEDRM
C=CC(C)(C)CCn1nnnc1N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588676874	983832020	/nfs/dbraw/zinc/83/20/20/983832020.db2.gz	GZTRRLHUCMMLKG-LBPRGKRZSA-N	-1	0	323.397	0.937	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCC[C@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588684436	983859816	/nfs/dbraw/zinc/85/98/16/983859816.db2.gz	QTUNKLLYAJXKCP-ZUZCIYMTSA-N	-1	0	322.365	0.231	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCCN(C)c1ccnc(C(=O)[O-])n1	ZINC001588684806	983864199	/nfs/dbraw/zinc/86/41/99/983864199.db2.gz	YPUPMNODROXGAH-CQSZACIVSA-N	-1	0	308.338	0.054	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CCO[C@H](CC(=O)[O-])C2)n1CC1CC1	ZINC001588705024	983925599	/nfs/dbraw/zinc/92/55/99/983925599.db2.gz	JPQUCGVZKFKKAR-VXGBXAGGSA-N	-1	0	322.365	0.587	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1CC(C)C	ZINC001588705823	983928196	/nfs/dbraw/zinc/92/81/96/983928196.db2.gz	PRKWCAPTSFGJEK-SRVKXCTJSA-N	-1	0	324.381	0.832	20	30		DCEDRM
C=C[C@@H](OC(=O)CCn1cnc2ccccc2c1=O)C(=O)[O-]	ZINC001588711386	983937505	/nfs/dbraw/zinc/93/75/05/983937505.db2.gz	OOPORJYGBJTIIG-GFCCVEGCSA-N	-1	0	302.286	0.969	20	30		DCEDRM
C=C[C@H](OC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C)C(=O)[O-]	ZINC001588711543	983938606	/nfs/dbraw/zinc/93/86/06/983938606.db2.gz	AXDVUNKRBDLCEN-VHSXEESVSA-N	-1	0	305.352	0.275	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCCC2CCOCC2)c(=O)[n-]c1=O	ZINC001450265834	1014995459	/nfs/dbraw/zinc/99/54/59/1014995459.db2.gz	DMGPNZPDQDIJAH-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC001588744260	984042051	/nfs/dbraw/zinc/04/20/51/984042051.db2.gz	JBWOKRCDQBRVFX-LBPRGKRZSA-N	-1	0	308.334	1.000	20	30		DCEDRM
C=CC[C@@H](OC(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001588754334	984093438	/nfs/dbraw/zinc/09/34/38/984093438.db2.gz	YDUJQBMYMPIURV-ZYHUDNBSSA-N	-1	0	321.333	0.736	20	30		DCEDRM
C=CCCC(=O)NC[C@H]1COCCN1c1ccnc(C(=O)[O-])n1	ZINC001588774429	984151894	/nfs/dbraw/zinc/15/18/94/984151894.db2.gz	YYKDFJRLNRLSBQ-NSHDSACASA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)C1	ZINC001588774402	984151934	/nfs/dbraw/zinc/15/19/34/984151934.db2.gz	XWUSVEKEIUBSOF-VXGBXAGGSA-N	-1	0	322.361	0.113	20	30		DCEDRM
C=CCCC(=O)N[C@H]1C[C@H](CNc2ccnc(C(=O)[O-])n2)C1	ZINC001588777026	984154958	/nfs/dbraw/zinc/15/49/58/984154958.db2.gz	RPZXRAJPYZOCIV-XYPYZODXSA-N	-1	0	304.350	0.870	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)CC1(N(C)C)CC1)C(=O)[O-]	ZINC001588797295	984228821	/nfs/dbraw/zinc/22/88/21/984228821.db2.gz	BSIYCAHQLGKBLJ-NSHDSACASA-N	-1	0	304.412	0.810	20	30		DCEDRM
C=CCCCN(CC)C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588801751	984247676	/nfs/dbraw/zinc/24/76/76/984247676.db2.gz	YXQFARLETAYUQK-GFCCVEGCSA-N	-1	0	312.366	0.503	20	30		DCEDRM
C=CCCOCC(=O)O[C@H]1C[C@@H](C(=O)[O-])N(c2cnccn2)C1	ZINC001588810536	984268000	/nfs/dbraw/zinc/26/80/00/984268000.db2.gz	WROKRRFXIWOFKM-RYUDHWBXSA-N	-1	0	321.333	0.644	20	30		DCEDRM
C=CCCn1cc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)nn1	ZINC001588817214	984275506	/nfs/dbraw/zinc/27/55/06/984275506.db2.gz	FNPDESKZYGRQGQ-GHMZBOCLSA-N	-1	0	308.338	0.321	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588843646	984353606	/nfs/dbraw/zinc/35/36/06/984353606.db2.gz	CSHDIGQFLIRKLB-AEJSXWLSSA-N	-1	0	312.322	0.431	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC001588844217	984356559	/nfs/dbraw/zinc/35/65/59/984356559.db2.gz	TUBVIAGZYDDBQP-UHFFFAOYSA-N	-1	0	309.322	0.730	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN[C@H](C)c1ncc(C(=O)[O-])s1	ZINC001588844442	984358041	/nfs/dbraw/zinc/35/80/41/984358041.db2.gz	ZAUWDCCHWWQCMG-SSDOTTSWSA-N	-1	0	312.351	0.504	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588844539	984358813	/nfs/dbraw/zinc/35/88/13/984358813.db2.gz	LMNCQAWGINAGJR-SECBINFHSA-N	-1	0	323.353	0.515	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]2C(=O)[O-])cc1	ZINC001588847881	984367509	/nfs/dbraw/zinc/36/75/09/984367509.db2.gz	QELRVTPSSDOITA-GFCCVEGCSA-N	-1	0	324.358	0.450	20	30		DCEDRM
C=CCNc1nnc(S[C@H](C)C(=O)NCC(=O)[O-])s1	ZINC001588849404	984370924	/nfs/dbraw/zinc/37/09/24/984370924.db2.gz	OSSOVMKLFIGUCK-ZCFIWIBFSA-N	-1	0	302.381	0.817	20	30		DCEDRM
C=CCOCC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588850106	984378309	/nfs/dbraw/zinc/37/83/09/984378309.db2.gz	XSRYQMFXLSAFGD-CHWSQXEVSA-N	-1	0	322.361	0.185	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C(=O)OC)s1)C(=O)[O-]	ZINC001588859348	984404902	/nfs/dbraw/zinc/40/49/02/984404902.db2.gz	IQTIXPGYBSFJHO-QMMMGPOBSA-N	-1	0	313.331	0.920	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001588861363	984414984	/nfs/dbraw/zinc/41/49/84/984414984.db2.gz	GMEJAFMIJPVXLE-JTQLQIEISA-N	-1	0	309.278	0.563	20	30		DCEDRM
C=CCOc1cccnc1C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001588877196	984451570	/nfs/dbraw/zinc/45/15/70/984451570.db2.gz	BHZJVIXXBWDOMD-UHFFFAOYSA-N	-1	0	321.333	0.357	20	30		DCEDRM
C=CCOc1cccnc1C(=O)NC[C@]1(C(=O)[O-])CCOC1	ZINC001588877288	984452163	/nfs/dbraw/zinc/45/21/63/984452163.db2.gz	GYQOZNXZIAWQNL-OAHLLOKOSA-N	-1	0	306.318	0.868	20	30		DCEDRM
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588889916	984482431	/nfs/dbraw/zinc/48/24/31/984482431.db2.gz	HDRFJPJQVOBVSF-VIFPVBQESA-N	-1	0	303.326	0.171	20	30		DCEDRM
C=CCn1c(-c2nc(C)no2)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588891926	984490695	/nfs/dbraw/zinc/49/06/95/984490695.db2.gz	XEYQHTOKBVRGQR-ZDUSSCGKSA-N	-1	0	322.300	0.826	20	30		DCEDRM
C=CCn1cc(C(=O)N(C)[C@H](COC2CCC2)C(=O)[O-])nn1	ZINC001588910155	984548005	/nfs/dbraw/zinc/54/80/05/984548005.db2.gz	NGVIQVFXPHRVDO-GFCCVEGCSA-N	-1	0	308.338	0.558	20	30		DCEDRM
C=CCn1cc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)nn1	ZINC001588910420	984549610	/nfs/dbraw/zinc/54/96/10/984549610.db2.gz	XOQMVVZKKWVUMI-CYBMUJFWSA-N	-1	0	314.301	0.957	20	30		DCEDRM
C=CCn1nnnc1N1CCC(c2cc(C(=O)[O-])on2)CC1	ZINC001588912859	984553400	/nfs/dbraw/zinc/55/34/00/984553400.db2.gz	PXFXOXRPAXMYNJ-UHFFFAOYSA-N	-1	0	304.310	0.929	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588916482	984561213	/nfs/dbraw/zinc/56/12/13/984561213.db2.gz	ORDLLYQNJRDVKA-YFKTTZPYSA-N	-1	0	310.350	0.015	20	30		DCEDRM
CC#CCCCC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1	ZINC001588924775	984583185	/nfs/dbraw/zinc/58/31/85/984583185.db2.gz	DTFGENLKINHIOG-UHFFFAOYSA-N	-1	0	315.391	0.718	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001588930860	984599806	/nfs/dbraw/zinc/59/98/06/984599806.db2.gz	CMHNRNAOCLBPCI-UHFFFAOYSA-N	-1	0	304.302	0.570	20	30		DCEDRM
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)[O-])c1	ZINC001588931809	984604120	/nfs/dbraw/zinc/60/41/20/984604120.db2.gz	BYQXMWNXLDANSN-JTQLQIEISA-N	-1	0	309.343	0.687	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)CCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001599896240	984756070	/nfs/dbraw/zinc/75/60/70/984756070.db2.gz	REHDWTGFCOLAEN-QWRGUYRKSA-N	-1	0	317.345	0.585	20	30		DCEDRM
C[C@H]1CN(C(=O)COc2cccc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001599917720	985081700	/nfs/dbraw/zinc/08/17/00/985081700.db2.gz	SQJPVZJBQCISBD-GWCFXTLKSA-N	-1	0	304.302	0.638	20	30		DCEDRM
CCOC1(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCOCC1	ZINC001596791988	985279125	/nfs/dbraw/zinc/27/91/25/985279125.db2.gz	YOILYZMPMZBBII-UHFFFAOYSA-N	-1	0	310.350	0.789	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])ccn2)C[C@H](C)N1CC#N	ZINC001594488650	985585426	/nfs/dbraw/zinc/58/54/26/985585426.db2.gz	HMNSPNPUEPPVKW-PHIMTYICSA-N	-1	0	302.334	0.838	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])n2)C[C@@H](C)N1CC#N	ZINC001594494501	985627162	/nfs/dbraw/zinc/62/71/62/985627162.db2.gz	QTXIHKKPMODQRO-GHMZBOCLSA-N	-1	0	302.334	0.838	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)c1ncc(C(=O)[O-])cn1	ZINC001589328664	986158918	/nfs/dbraw/zinc/15/89/18/986158918.db2.gz	FZWZSQNOCRSFOM-CMPLNLGQSA-N	-1	0	317.349	0.762	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001589329083	986161097	/nfs/dbraw/zinc/16/10/97/986161097.db2.gz	ILPKKZZTSSBDDO-UWVGGRQHSA-N	-1	0	303.322	0.419	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001589329845	986166880	/nfs/dbraw/zinc/16/68/80/986166880.db2.gz	UOKLLZLAEYKXAF-QXEWZRGKSA-N	-1	0	303.322	0.641	20	30		DCEDRM
C[C@@H](C#N)CN(C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)C1CC1	ZINC001589329933	986168882	/nfs/dbraw/zinc/16/88/82/986168882.db2.gz	WNVWKOQBIDSENZ-VIFPVBQESA-N	-1	0	318.333	0.812	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N([C@H](C)C(=O)[O-])C1CCC1	ZINC001589330666	986175964	/nfs/dbraw/zinc/17/59/64/986175964.db2.gz	MSFOCKJKHMIRLB-VHSXEESVSA-N	-1	0	303.384	0.650	20	30		DCEDRM
C[C@@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)n1cnc(C#N)n1	ZINC001589369057	986408661	/nfs/dbraw/zinc/40/86/61/986408661.db2.gz	JUNPCIZNKQAMCE-VIFPVBQESA-N	-1	0	311.301	0.951	20	30		DCEDRM
C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001589439888	986780318	/nfs/dbraw/zinc/78/03/18/986780318.db2.gz	OIWRVRDEVOPGFO-QKCSRTOESA-N	-1	0	317.345	0.653	20	30		DCEDRM
CC[C@H](C#N)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(=O)NC	ZINC001594721746	987205166	/nfs/dbraw/zinc/20/51/66/987205166.db2.gz	BNOHAFKTUNWQSN-SECBINFHSA-N	-1	0	319.317	0.998	20	30		DCEDRM
C#CCCCC(=O)NC[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001532185746	1015299004	/nfs/dbraw/zinc/29/90/04/1015299004.db2.gz	PBSUAOBXWWFBON-JTQLQIEISA-N	-1	0	306.366	0.709	20	30		DCEDRM
CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)NCCCCC#N)cn1	ZINC001589660788	987636843	/nfs/dbraw/zinc/63/68/43/987636843.db2.gz	PWFBBQFGXUKMJU-UHFFFAOYSA-N	-1	0	321.337	0.451	20	30		DCEDRM
C[C@@H]1CN(c2nnc(C(C)(C)CC#N)n2C)C[C@@H](C(=O)[O-])O1	ZINC001599868794	989315048	/nfs/dbraw/zinc/31/50/48/989315048.db2.gz	CRCFGCOGDQPFKA-ZJUUUORDSA-N	-1	0	307.354	0.685	20	30		DCEDRM
C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1	ZINC001599885057	989541252	/nfs/dbraw/zinc/54/12/52/989541252.db2.gz	ANLXBDBBQKSIPR-PWSUYJOCSA-N	-1	0	315.329	0.843	20	30		DCEDRM
CCn1c(N2CC[C@@](OC)(C(=O)[O-])C2)nnc1C(C)(C)C#N	ZINC001597859744	989630324	/nfs/dbraw/zinc/63/03/24/989630324.db2.gz	XTEYAXYVXVNQKM-AWEZNQCLSA-N	-1	0	307.354	0.779	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001590927936	990937378	/nfs/dbraw/zinc/93/73/78/990937378.db2.gz	OOZPIBABSPREPX-XDQVBPFNSA-N	-1	0	320.389	0.910	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001590927903	990937694	/nfs/dbraw/zinc/93/76/94/990937694.db2.gz	NJFKNPLHAHMRQI-YVECIDJPSA-N	-1	0	306.362	0.378	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(Cc2cnc(C(=O)[O-])cn2)CC1	ZINC001590952381	991012671	/nfs/dbraw/zinc/01/26/71/991012671.db2.gz	CHKRHEUCWUZAPB-AWEZNQCLSA-N	-1	0	303.366	0.841	20	30		DCEDRM
CN([C@@]1(C#N)CCOC1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC001598365067	991513194	/nfs/dbraw/zinc/51/31/94/991513194.db2.gz	XGNSQNLCFKYLCU-CQSZACIVSA-N	-1	0	324.358	0.829	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)c1nc[n-]c(=O)c1Br	ZINC001451198515	1015637750	/nfs/dbraw/zinc/63/77/50/1015637750.db2.gz	SEYCZBHPYBFRFI-ZETCQYMHSA-N	-1	0	312.123	0.419	20	30		DCEDRM
CN(C1CC(O)C1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598371043	991540726	/nfs/dbraw/zinc/54/07/26/991540726.db2.gz	QFTFWGXQKHMJGD-UHFFFAOYSA-N	-1	0	310.331	0.400	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	ZINC001598468946	991994384	/nfs/dbraw/zinc/99/43/84/991994384.db2.gz	NDUSJXNBGZAQDK-DGCLKSJQSA-N	-1	0	315.395	0.653	20	30		DCEDRM
CC(C)C[C@]1(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCNC1=O	ZINC001591191194	992000874	/nfs/dbraw/zinc/00/08/74/992000874.db2.gz	SILBAAXWQMCFFA-MRXNPFEDSA-N	-1	0	321.377	0.756	20	30		DCEDRM
CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ncc(C#N)cc1F	ZINC001598480485	992141428	/nfs/dbraw/zinc/14/14/28/992141428.db2.gz	VMOJVRDJZVKKKQ-MNOVXSKESA-N	-1	0	320.324	0.756	20	30		DCEDRM
CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccncc1C#N	ZINC001598480592	992143473	/nfs/dbraw/zinc/14/34/73/992143473.db2.gz	WXQHFECKXDSDPB-NEPJUHHUSA-N	-1	0	302.334	0.616	20	30		DCEDRM
CS(=O)(=O)c1ccc(C(=O)N(CC#N)CCC(=O)[O-])s1	ZINC001599767671	992202210	/nfs/dbraw/zinc/20/22/10/992202210.db2.gz	WIXFNXREDJDDPC-UHFFFAOYSA-N	-1	0	316.360	0.592	20	30		DCEDRM
CN(CCN(C)c1ncccc1C#N)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001598487330	992222328	/nfs/dbraw/zinc/22/23/28/992222328.db2.gz	KUGNNKHSQUUJAW-RYUDHWBXSA-N	-1	0	302.334	0.569	20	30		DCEDRM
CC(C)CS(=O)(=O)CC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001591414864	992492760	/nfs/dbraw/zinc/49/27/60/992492760.db2.gz	ZCUSHIRDQCEKKA-UHFFFAOYSA-N	-1	0	316.379	0.274	20	30		DCEDRM
CN1C[C@H](C(=O)[O-])N(Cc2ccc(Cl)cc2C#N)CC1=O	ZINC001598564355	993125801	/nfs/dbraw/zinc/12/58/01/993125801.db2.gz	SMVDLZVSJFDLNN-GFCCVEGCSA-N	-1	0	307.737	0.939	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573385342	1163419652	/nfs/dbraw/zinc/41/96/52/1163419652.db2.gz	YSKBBUKDNUGKSH-CYDGBPFRSA-N	-1	0	306.362	0.664	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccncc1C#N	ZINC001598769696	995872410	/nfs/dbraw/zinc/87/24/10/995872410.db2.gz	CJQXIVNTKRSPNR-YPMHNXCESA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc(C#N)cs1	ZINC001598770085	995875996	/nfs/dbraw/zinc/87/59/96/995875996.db2.gz	DOYNLFSQRBMROK-PSASIEDQSA-N	-1	0	309.347	0.853	20	30		DCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001593641382	995951932	/nfs/dbraw/zinc/95/19/32/995951932.db2.gz	IJOMEJWGLTWPHE-ZKYQVNSYSA-N	-1	0	318.329	0.762	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)Nc2ccnc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC001598814354	996257136	/nfs/dbraw/zinc/25/71/36/996257136.db2.gz	KQXVZLWPSYEGRU-MNOVXSKESA-N	-1	0	318.289	0.291	20	30		DCEDRM
CN(Cc1cccc(O)c1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001465841689	1016028446	/nfs/dbraw/zinc/02/84/46/1016028446.db2.gz	IHTRVBXYJSRRLC-UHFFFAOYSA-N	-1	0	314.301	0.185	20	30		DCEDRM
CC1(C)[C@H](CS(=O)(=O)N(CC#N)CCC(=O)[O-])C1(F)F	ZINC001593832795	996579031	/nfs/dbraw/zinc/57/90/31/996579031.db2.gz	JLWCNBDKWRAQSJ-QMMMGPOBSA-N	-1	0	310.322	0.908	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN1CC(=O)N[C@](C)(C#N)C1CC1	ZINC001599193501	997171762	/nfs/dbraw/zinc/17/17/62/997171762.db2.gz	PCJNSFPKZUFBIX-HUUCEWRRSA-N	-1	0	309.366	0.360	20	30		DCEDRM
COc1ccc(C(N)=NOCc2cn(CC(=O)[O-])nn2)cc1	ZINC001599519219	997447276	/nfs/dbraw/zinc/44/72/76/997447276.db2.gz	KBEWKCCIQRZNLF-UHFFFAOYSA-N	-1	0	305.294	0.208	20	30		DCEDRM
COc1cc(CNS(=O)(=O)CCCC(=O)[O-])ccc1C#N	ZINC001599415637	997503333	/nfs/dbraw/zinc/50/33/33/997503333.db2.gz	XEHFXBKAHZGBGT-UHFFFAOYSA-N	-1	0	312.347	0.851	20	30		DCEDRM
COC[C@@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C[C@@H](C)O1	ZINC001466970057	1016128867	/nfs/dbraw/zinc/12/88/67/1016128867.db2.gz	QKIXOEWKLBEZKD-PWSUYJOCSA-N	-1	0	305.334	0.843	20	30		DCEDRM
CO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001599321409	997587715	/nfs/dbraw/zinc/58/77/15/997587715.db2.gz	FOFMEVSHIQNMPF-SNVBAGLBSA-N	-1	0	310.331	0.666	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)CNc2ccc(C#N)cn2)[C@H](C(=O)[O-])C1	ZINC001599119023	997704790	/nfs/dbraw/zinc/70/47/90/997704790.db2.gz	JVZKVPDRUZZQBB-NEPJUHHUSA-N	-1	0	318.333	0.456	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cccc3cc[nH]c32)c(=O)[n-]c1=O	ZINC001467342742	1016158747	/nfs/dbraw/zinc/15/87/47/1016158747.db2.gz	ZKZSQMSLKXSUIU-UHFFFAOYSA-N	-1	0	309.285	0.941	20	30		DCEDRM
CO[C@@H]1CN(C(=O)c2cc(C)c(C#N)cn2)[C@@](C)(C(=O)[O-])C1	ZINC001599129232	997909517	/nfs/dbraw/zinc/90/95/17/997909517.db2.gz	FGTVZJRAYAEJKL-XHDPSFHLSA-N	-1	0	303.318	0.966	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001467456883	1016171653	/nfs/dbraw/zinc/17/16/53/1016171653.db2.gz	WPIXMPBXBWSLBL-ZDUSSCGKSA-N	-1	0	309.370	0.239	20	30		DCEDRM
COCC#CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC001599139740	998107022	/nfs/dbraw/zinc/10/70/22/998107022.db2.gz	XZDQOTNZWIMYOM-CQSZACIVSA-N	-1	0	300.314	0.930	20	30		DCEDRM
COc1cc(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)ccc1C#N	ZINC001599352009	998112055	/nfs/dbraw/zinc/11/20/55/998112055.db2.gz	IZGSYCSOXHXAOC-ZANVPECISA-N	-1	0	304.302	0.881	20	30		DCEDRM
C#Cc1ccc(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)cc1	ZINC001468179336	1016229830	/nfs/dbraw/zinc/22/98/30/1016229830.db2.gz	VHFOGTIXZVIWSY-UHFFFAOYSA-N	-1	0	318.340	0.986	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H](C2CC2)C2CCC2)c(=O)[n-]c1=O	ZINC001468732998	1016274550	/nfs/dbraw/zinc/27/45/50/1016274550.db2.gz	DMTSISMBVMHUIL-ZDUSSCGKSA-N	-1	0	302.334	0.515	20	30		DCEDRM
COc1cc(COCC(=O)Nc2nc(C#N)c(C#N)[n-]2)ccn1	ZINC001469565439	1016346266	/nfs/dbraw/zinc/34/62/66/1016346266.db2.gz	FBRVZFKWSUUGTG-UHFFFAOYSA-N	-1	0	312.289	0.712	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC(Cc3ccoc3)C2)c(=O)[n-]c1=O	ZINC001420481432	1002480085	/nfs/dbraw/zinc/48/00/85/1002480085.db2.gz	IODCBIZUVJTPNC-UHFFFAOYSA-N	-1	0	314.301	0.115	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H](CO)C2CCCCC2)c(C#N)c1=O	ZINC001421154603	1003386285	/nfs/dbraw/zinc/38/62/85/1003386285.db2.gz	JHUWHFVISYXXQW-LLVKDONJSA-N	-1	0	306.366	0.546	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2CCc3ccccc3N2)c(C#N)c1=O	ZINC001472684775	1016849051	/nfs/dbraw/zinc/84/90/51/1016849051.db2.gz	GFIAXZCMNGOKLY-NSHDSACASA-N	-1	0	311.345	0.784	20	30		DCEDRM
C[C@H]1C[C@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CS1	ZINC001427758920	1004586162	/nfs/dbraw/zinc/58/61/62/1004586162.db2.gz	WBYZESGSXBKPCB-WPRPVWTQSA-N	-1	0	323.378	0.014	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC(c3nnn[n-]3)CC2)n1	ZINC001414418268	1005317433	/nfs/dbraw/zinc/31/74/33/1005317433.db2.gz	XMAIJOVMLUTVNH-UHFFFAOYSA-N	-1	0	301.314	0.216	20	30		DCEDRM
CN(CCOC(C)(C)C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417673746	1005865496	/nfs/dbraw/zinc/86/54/96/1005865496.db2.gz	OOPYDTMCTOOPNK-UHFFFAOYSA-N	-1	0	308.338	0.094	20	30		DCEDRM
C=CCCO[N-]C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1	ZINC001454241198	1009018148	/nfs/dbraw/zinc/01/81/48/1009018148.db2.gz	XJVCUZVHXLFIQR-UHFFFAOYSA-N	-1	0	310.310	0.317	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCCC[C@@H]1C(N)=O	ZINC001433754642	1009149390	/nfs/dbraw/zinc/14/93/90/1009149390.db2.gz	MIVQRLHTFJNLMR-QWRGUYRKSA-N	-1	0	302.334	0.741	20	30		DCEDRM
N#Cc1ccc(NC2CC2)c(NC(=O)Cn2c(=O)[n-][nH]c2=O)c1	ZINC001433937276	1009374838	/nfs/dbraw/zinc/37/48/38/1009374838.db2.gz	MZJPYFONMKQKTE-UHFFFAOYSA-N	-1	0	314.305	0.774	20	30		DCEDRM
Cc1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c(C)n1C	ZINC001434207935	1009662677	/nfs/dbraw/zinc/66/26/77/1009662677.db2.gz	PWRLHJXBPIGQEG-UHFFFAOYSA-N	-1	0	315.333	0.206	20	30		DCEDRM
CC(=O)CC(C)(C)CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434205603	1009662754	/nfs/dbraw/zinc/66/27/54/1009662754.db2.gz	BLPXBSWPAOSHFR-UHFFFAOYSA-N	-1	0	320.349	0.332	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccccc2F)c(=O)[n-]c1=O	ZINC001434208902	1009665179	/nfs/dbraw/zinc/66/51/79/1009665179.db2.gz	ZSXXXXUACDITNE-UHFFFAOYSA-N	-1	0	302.265	0.390	20	30		DCEDRM
C[C@@H]1Cc2cnccc2N1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001434258913	1009701364	/nfs/dbraw/zinc/70/13/64/1009701364.db2.gz	RHRVMLPUYUDRLP-SECBINFHSA-N	-1	0	311.301	0.193	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1	ZINC001455559547	1009816269	/nfs/dbraw/zinc/81/62/69/1009816269.db2.gz	NDDOXKSXYXQZKE-WOPDTQHZSA-N	-1	0	303.318	0.501	20	30		DCEDRM
Cc1cnc2c(c1)N(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)CC2	ZINC001434385360	1009876483	/nfs/dbraw/zinc/87/64/83/1009876483.db2.gz	BWWBSWWICNTYSS-UHFFFAOYSA-N	-1	0	311.301	0.113	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(CC#N)n2)n[nH]1	ZINC001434650090	1010157077	/nfs/dbraw/zinc/15/70/77/1010157077.db2.gz	RYXOJXHEVPUTFG-UHFFFAOYSA-N	-1	0	321.318	0.458	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001475379043	1017101892	/nfs/dbraw/zinc/10/18/92/1017101892.db2.gz	BJFFZLZSIJQFFL-VIFPVBQESA-N	-1	0	312.303	0.323	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCSc2ccccn2)c(C#N)c1=O	ZINC001458449036	1012179504	/nfs/dbraw/zinc/17/95/04/1012179504.db2.gz	NTMLHTYHLJILAO-UHFFFAOYSA-N	-1	0	317.374	0.935	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)c1nc[n-]c(=O)c1Br	ZINC001556833170	1012230139	/nfs/dbraw/zinc/23/01/39/1012230139.db2.gz	RQTXPWFALDVKBP-ZCFIWIBFSA-N	-1	0	300.112	0.059	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C=Cc3ccco3)C2)c(=O)[n-]c1=O	ZINC001558805698	1012383648	/nfs/dbraw/zinc/38/36/48/1012383648.db2.gz	TVGAYACNVXHHCT-ONEGZZNKSA-N	-1	0	312.285	0.510	20	30		DCEDRM
C=CCN(Cc1cccc(C#N)c1)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001544403483	1012544092	/nfs/dbraw/zinc/54/40/92/1012544092.db2.gz	PEFGQQWUMJWQAA-UHFFFAOYSA-N	-1	0	311.301	0.983	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1	ZINC001547268197	1012579671	/nfs/dbraw/zinc/57/96/71/1012579671.db2.gz	MLMHOBXVBIJKLG-GFCCVEGCSA-N	-1	0	300.336	0.305	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@](C)(CNC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001459502312	1012756593	/nfs/dbraw/zinc/75/65/93/1012756593.db2.gz	JOWRTANCALGMOF-PSLIRLAXSA-N	-1	0	319.365	0.552	20	30		DCEDRM
COC(=O)CN(Cc1cc(=O)n2[n-]cc(C#N)c2n1)CC(C)C	ZINC001459745360	1012825806	/nfs/dbraw/zinc/82/58/06/1012825806.db2.gz	JMPHBTBSAGUWJY-UHFFFAOYSA-N	-1	0	317.349	0.938	20	30		DCEDRM
COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1cncc(C#N)c1	ZINC001475704880	1017141302	/nfs/dbraw/zinc/14/13/02/1017141302.db2.gz	IKXPJFFFLVSAMZ-UHFFFAOYSA-N	-1	0	321.314	0.811	20	30		DCEDRM
C#CCN(C)CCOCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001506978222	1017733374	/nfs/dbraw/zinc/73/33/74/1017733374.db2.gz	VHDXOQFEKXBYME-UHFFFAOYSA-N	-1	0	318.333	0.240	20	30		DCEDRM
CSC1([C@H](C#N)N(C)C(=O)Cn2ccc(C(=O)[O-])n2)CC1	ZINC001607390490	1170445191	/nfs/dbraw/zinc/44/51/91/1170445191.db2.gz	VNBWZGRBCLPMBR-JTQLQIEISA-N	-1	0	308.363	0.827	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)C(=O)[O-]	ZINC001609076208	1170799686	/nfs/dbraw/zinc/79/96/86/1170799686.db2.gz	FNVCBTPOWORCDL-JGVFFNPUSA-N	-1	0	306.240	0.132	20	30		DCEDRM
CSc1[nH]c(=O)c(C(=O)N(C)CC#N)cc1-c1nnn[n-]1	ZINC001609372097	1170952171	/nfs/dbraw/zinc/95/21/71/1170952171.db2.gz	PIYWECNLLZODNV-UHFFFAOYSA-N	-1	0	305.323	0.285	20	30		DCEDRM
Cc1oc(C)c(S(=O)(=O)N2CCOC[C@H]2C#N)c1C(=O)[O-]	ZINC000273751952	238290637	/nfs/dbraw/zinc/29/06/37/238290637.db2.gz	PUTTZNVBKCFRKC-SECBINFHSA-N	-1	0	314.319	0.508	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])c1	ZINC000422693403	240179316	/nfs/dbraw/zinc/17/93/16/240179316.db2.gz	VVEMMSVMKDPPPZ-SNVBAGLBSA-N	-1	0	303.318	0.984	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1	ZINC000425187045	240305659	/nfs/dbraw/zinc/30/56/59/240305659.db2.gz	DIYLBYVPUNCVBB-JGVFFNPUSA-N	-1	0	315.376	0.900	20	30		DCEDRM
Cc1cc(N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c(C#N)cn1	ZINC000424379320	240259430	/nfs/dbraw/zinc/25/94/30/240259430.db2.gz	VIUQHHBEZROUAT-TZMCWYRMSA-N	-1	0	316.361	0.806	20	30		DCEDRM
C=CCC[C@@H](NC(=O)/C=C/c1cncc(C(=O)NC)c1)C(=O)[O-]	ZINC000493778069	241156197	/nfs/dbraw/zinc/15/61/97/241156197.db2.gz	BMDYTMARZBEJGU-KTRBRXNASA-N	-1	0	317.345	0.990	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c1	ZINC000336847173	252804460	/nfs/dbraw/zinc/80/44/60/252804460.db2.gz	DAILOCOXPPZENJ-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1C	ZINC000340939770	253324629	/nfs/dbraw/zinc/32/46/29/253324629.db2.gz	NQCNYHFDUAQIOY-UHFFFAOYSA-N	-1	0	323.334	0.203	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])cc1F	ZINC000291800888	131601233	/nfs/dbraw/zinc/60/12/33/131601233.db2.gz	BGCPSPUFJGMUQI-JTQLQIEISA-N	-1	0	316.335	0.846	20	30		DCEDRM
N#Cc1nc(NC(=O)CCCNC(=O)c2ccco2)[n-]c1C#N	ZINC000026272202	395694238	/nfs/dbraw/zinc/69/42/38/395694238.db2.gz	JMGNHBATIDPSPY-UHFFFAOYSA-N	-1	0	312.289	0.895	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000261676472	396055274	/nfs/dbraw/zinc/05/52/74/396055274.db2.gz	LBZCGCSMMRGDQG-ZETCQYMHSA-N	-1	0	313.291	0.560	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000159699383	396070634	/nfs/dbraw/zinc/07/06/34/396070634.db2.gz	AIUHEARQJCVYJY-CYBMUJFWSA-N	-1	0	309.347	0.829	20	30		DCEDRM
CC(C)CCC(=O)NCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000067157712	396021917	/nfs/dbraw/zinc/02/19/17/396021917.db2.gz	DMHKTRDRIGUBRJ-UHFFFAOYSA-N	-1	0	317.371	0.349	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1cc(C#N)ccc1C	ZINC000070430366	396101354	/nfs/dbraw/zinc/10/13/54/396101354.db2.gz	LHJUDIDIEFBJHT-UHFFFAOYSA-N	-1	0	312.347	0.588	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)cc1	ZINC000262735488	396177124	/nfs/dbraw/zinc/17/71/24/396177124.db2.gz	ILWJCJYAKCWZFA-SWLSCSKDSA-N	-1	0	318.329	0.933	20	30		DCEDRM
C=CCNC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC000181926069	396243754	/nfs/dbraw/zinc/24/37/54/396243754.db2.gz	YWZNWTIGJSIWNX-UHFFFAOYSA-N	-1	0	318.308	0.749	20	30		DCEDRM
C=CCCSCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000594718915	396501083	/nfs/dbraw/zinc/50/10/83/396501083.db2.gz	FOLCGJAASDWGLB-UHFFFAOYSA-N	-1	0	319.408	0.555	20	30		DCEDRM
C[C@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@@H](C(=O)[O-])C1	ZINC000290653693	396468840	/nfs/dbraw/zinc/46/88/40/396468840.db2.gz	NFBAFEWZOLZYGF-JOYOIKCWSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CC(C)CO[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000291132440	396479772	/nfs/dbraw/zinc/47/97/72/396479772.db2.gz	VOIRZLSWSXYYKQ-UHFFFAOYSA-N	-1	0	311.363	0.540	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)C(=O)[O-]	ZINC000594529858	396484587	/nfs/dbraw/zinc/48/45/87/396484587.db2.gz	MZDYQFSKIKPKPQ-ZJUUUORDSA-N	-1	0	303.318	0.572	20	30		DCEDRM
CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(N)=O	ZINC000292081572	396528950	/nfs/dbraw/zinc/52/89/50/396528950.db2.gz	JIKREAITQLRISN-SECBINFHSA-N	-1	0	303.290	0.379	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-]	ZINC000581314112	396544926	/nfs/dbraw/zinc/54/49/26/396544926.db2.gz	DZUHCOIQEWWJPG-TUAOUCFPSA-N	-1	0	317.411	0.946	20	30		DCEDRM
C=CCCSCCNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000595275500	396576938	/nfs/dbraw/zinc/57/69/38/396576938.db2.gz	FQYLZHVIXGKNSF-JTQLQIEISA-N	-1	0	302.396	0.591	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F)c1	ZINC000562231435	396653061	/nfs/dbraw/zinc/65/30/61/396653061.db2.gz	SZADNFWPVIBBEC-MRVPVSSYSA-N	-1	0	319.289	0.588	20	30		DCEDRM
CN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1n[n-]c(=O)o1	ZINC000595546891	396628825	/nfs/dbraw/zinc/62/88/25/396628825.db2.gz	KLWBJJZMYOQKNO-UHFFFAOYSA-N	-1	0	307.354	0.892	20	30		DCEDRM
C[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000563127887	396705414	/nfs/dbraw/zinc/70/54/14/396705414.db2.gz	XCKWFLMIMGAYLN-JQWIXIFHSA-N	-1	0	304.350	0.445	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000596025147	396709306	/nfs/dbraw/zinc/70/93/06/396709306.db2.gz	YLLIMAKDUAXGCN-ZDUSSCGKSA-N	-1	0	323.374	0.761	20	30		DCEDRM
COC(=O)c1oc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cc1C	ZINC000596045063	396711154	/nfs/dbraw/zinc/71/11/54/396711154.db2.gz	ZKKIFVCFSBWUDL-UHFFFAOYSA-N	-1	0	324.318	0.781	20	30		DCEDRM
C=CCn1cc(C(=O)N=c2nc(C(C)(C)OC)[n-]s2)nn1	ZINC000634148665	396796397	/nfs/dbraw/zinc/79/63/97/396796397.db2.gz	PKQZTSNHHBSRFB-UHFFFAOYSA-N	-1	0	308.367	0.871	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000563959913	396799527	/nfs/dbraw/zinc/79/95/27/396799527.db2.gz	KNCFPWBTQPESEQ-LLVKDONJSA-N	-1	0	316.310	0.216	20	30		DCEDRM
CC(C)C[C@@H](C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597077129	396888250	/nfs/dbraw/zinc/88/82/50/396888250.db2.gz	ZEJANOGRAPLBJI-VIFPVBQESA-N	-1	0	311.363	0.708	20	30		DCEDRM
N#CCc1cccc2c1CCN([C@H]1CCN(CC(=O)[O-])C1=O)C2	ZINC000600704843	396924213	/nfs/dbraw/zinc/92/42/13/396924213.db2.gz	QMUMFCBHPZWFRI-HNNXBMFYSA-N	-1	0	313.357	0.796	20	30		DCEDRM
C=CCN(C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000634869430	396927635	/nfs/dbraw/zinc/92/76/35/396927635.db2.gz	IXPQAERBZAQZJE-OUAUKWLOSA-N	-1	0	315.391	0.545	20	30		DCEDRM
N#CCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CCCC1	ZINC000597276612	396930015	/nfs/dbraw/zinc/93/00/15/396930015.db2.gz	NFDSXKKUURCVII-UHFFFAOYSA-N	-1	0	323.374	0.948	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C1	ZINC000591569765	396930330	/nfs/dbraw/zinc/93/03/30/396930330.db2.gz	FGZZSWJZOAYLOK-BFVZDQMLSA-N	-1	0	311.313	0.020	20	30		DCEDRM
Cc1ccc(CCNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC000600843152	396956169	/nfs/dbraw/zinc/95/61/69/396956169.db2.gz	ZNQWVWXVPRDJSC-UHFFFAOYSA-N	-1	0	316.317	0.471	20	30		DCEDRM
CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C#N)nc2)c[nH]1	ZINC000618906639	397038557	/nfs/dbraw/zinc/03/85/57/397038557.db2.gz	RNLMCYAMYWFVQF-UHFFFAOYSA-N	-1	0	321.318	0.654	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000384729594	397280985	/nfs/dbraw/zinc/28/09/85/397280985.db2.gz	PASUEMWKQGHRNC-UHFFFAOYSA-N	-1	0	308.315	0.541	20	30		DCEDRM
C[C@H]1SCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC000602104207	397302484	/nfs/dbraw/zinc/30/24/84/397302484.db2.gz	ZFSZUDINPGJEHA-DTWKUNHWSA-N	-1	0	308.363	0.173	20	30		DCEDRM
CC[C@]1(C)CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602107398	397303706	/nfs/dbraw/zinc/30/37/06/397303706.db2.gz	QDFSSLCONVFOSH-OAHLLOKOSA-N	-1	0	304.350	0.859	20	30		DCEDRM
CN(C[C@H]1CC=CCC1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602129912	397312393	/nfs/dbraw/zinc/31/23/93/397312393.db2.gz	JDUCGKGTRMENNB-NSHDSACASA-N	-1	0	302.334	0.635	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-]	ZINC000593270250	397346456	/nfs/dbraw/zinc/34/64/56/397346456.db2.gz	AKSLSLCPCTZKOQ-KXNHARMFSA-N	-1	0	315.395	0.508	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-]	ZINC000593273112	397347205	/nfs/dbraw/zinc/34/72/05/397347205.db2.gz	PNMMDMVYBAJQKP-JQWIXIFHSA-N	-1	0	317.411	0.803	20	30		DCEDRM
N#Cc1nccnc1N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC000593326761	397351111	/nfs/dbraw/zinc/35/11/11/397351111.db2.gz	JQXHZCHZQKVKFK-SNVBAGLBSA-N	-1	0	315.333	0.250	20	30		DCEDRM
N#Cc1ccnc(N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1	ZINC000593327490	397352899	/nfs/dbraw/zinc/35/28/99/397352899.db2.gz	OQINKSDEJRFTKT-GFCCVEGCSA-N	-1	0	314.345	0.855	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@@H](C3CCC3)C2)c(=O)[n-]c1=O	ZINC000602160625	397327147	/nfs/dbraw/zinc/32/71/47/397327147.db2.gz	FLRGQRJNCQMFOM-LLVKDONJSA-N	-1	0	302.334	0.469	20	30		DCEDRM
N#Cc1cn(CC(=O)N(C2CCC2)C2CCC2)c(=O)[n-]c1=O	ZINC000602160147	397327774	/nfs/dbraw/zinc/32/77/74/397327774.db2.gz	MLWXKBYUVZQZKK-UHFFFAOYSA-N	-1	0	302.334	0.754	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC(=O)[O-])C1CCC1	ZINC000593945632	397485525	/nfs/dbraw/zinc/48/55/25/397485525.db2.gz	USQQSWVJHGAZRU-JTQLQIEISA-N	-1	0	303.384	0.652	20	30		DCEDRM
C#CCN(C1CCCC1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000491438612	397502667	/nfs/dbraw/zinc/50/26/67/397502667.db2.gz	DWZFCLAHJIHTLZ-GFCCVEGCSA-N	-1	0	314.407	0.906	20	30		DCEDRM
CCC(=O)N1CCC[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000067841274	158040319	/nfs/dbraw/zinc/04/03/19/158040319.db2.gz	FXOUDWDUBRCXGV-VIFPVBQESA-N	-1	0	300.322	0.740	20	30		DCEDRM
Cn1cnc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)n1	ZINC000092265001	158112750	/nfs/dbraw/zinc/11/27/50/158112750.db2.gz	FZSJPIMEDIDTHI-UHFFFAOYSA-N	-1	0	322.306	0.073	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000263568951	158887515	/nfs/dbraw/zinc/88/75/15/158887515.db2.gz	YWOFXCVRUIQIOF-SECBINFHSA-N	-1	0	312.322	0.934	20	30		DCEDRM
COCCN(Cc1ccc(C#N)cc1)C(=O)c1nc(=O)[nH][n-]1	ZINC000129368435	286987705	/nfs/dbraw/zinc/98/77/05/286987705.db2.gz	QONDQYONFXDKCD-UHFFFAOYSA-N	-1	0	301.306	0.258	20	30		DCEDRM
COCCOc1ccnc([N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000342670642	415247725	/nfs/dbraw/zinc/24/77/25/415247725.db2.gz	USBUKWLDTQEWQR-UHFFFAOYSA-N	-1	0	324.318	0.767	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2COCCO2)c(F)c1	ZINC000342604392	415224706	/nfs/dbraw/zinc/22/47/06/415224706.db2.gz	XVUDPMVAPCEIDT-VIFPVBQESA-N	-1	0	318.301	0.530	20	30		DCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cn[nH]c1	ZINC000057118975	415337655	/nfs/dbraw/zinc/33/76/55/415337655.db2.gz	CJIBVFIWYVDVOL-UHFFFAOYSA-N	-1	0	304.331	0.574	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000274951181	415368257	/nfs/dbraw/zinc/36/82/57/415368257.db2.gz	GHYLUAXEXJXOMI-CYBMUJFWSA-N	-1	0	324.358	0.800	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)nc1Cl	ZINC000120225820	415760841	/nfs/dbraw/zinc/76/08/41/415760841.db2.gz	UCKXGTMDCARILP-UHFFFAOYSA-N	-1	0	314.758	0.984	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2C[C@@H](CO)OC[C@H]2C)cc1C#N	ZINC000344214268	415866714	/nfs/dbraw/zinc/86/67/14/415866714.db2.gz	LGRMLLOIODYJQO-SCZZXKLOSA-N	-1	0	323.374	0.603	20	30		DCEDRM
C#CC[C@@]1(C(=O)Nc2nn[nH]n2)CCCN1C(=O)OC(C)(C)C	ZINC000296022602	415906071	/nfs/dbraw/zinc/90/60/71/415906071.db2.gz	ZDFXOWYROVZQDT-AWEZNQCLSA-N	-1	0	320.353	0.931	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000422644573	416443778	/nfs/dbraw/zinc/44/37/78/416443778.db2.gz	MIJPHKWNCLUQOS-UHFFFAOYSA-N	-1	0	320.345	0.913	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1C#N	ZINC000422658065	416445135	/nfs/dbraw/zinc/44/51/35/416445135.db2.gz	PEYUJZDDQHPBGW-NSHDSACASA-N	-1	0	318.333	0.816	20	30		DCEDRM
CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000422662212	416445992	/nfs/dbraw/zinc/44/59/92/416445992.db2.gz	OQKLIBQTOPXHGZ-LLVKDONJSA-N	-1	0	307.281	0.861	20	30		DCEDRM
CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000422662829	416446550	/nfs/dbraw/zinc/44/65/50/416446550.db2.gz	RRWQAUABVNQVTQ-LLVKDONJSA-N	-1	0	307.281	0.861	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](C)CCC(=O)[O-]	ZINC000584116721	416502044	/nfs/dbraw/zinc/50/20/44/416502044.db2.gz	IICIIXUHFSLGEI-WDEREUQCSA-N	-1	0	305.400	0.803	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)CSc2n[nH]c(=O)[n-]2)n1	ZINC000491624761	416607035	/nfs/dbraw/zinc/60/70/35/416607035.db2.gz	JVIZBSKFKOQFRP-UHFFFAOYSA-N	-1	0	320.378	0.481	20	30		DCEDRM
CN(C)C(=O)Cn1cc(NC(=O)c2ccc(C#N)c([O-])c2)cn1	ZINC000442649582	416701379	/nfs/dbraw/zinc/70/13/79/416701379.db2.gz	MXOAFZYIMMEOOJ-UHFFFAOYSA-N	-1	0	313.317	0.801	20	30		DCEDRM
COC(=O)c1nscc1S(=O)(=O)[N-]c1ncccc1C#N	ZINC000443134291	416733175	/nfs/dbraw/zinc/73/31/75/416733175.db2.gz	ODYWAXPDWUOWFT-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCN2CCC2)c(F)c1	ZINC000443718690	416777590	/nfs/dbraw/zinc/77/75/90/416777590.db2.gz	AOPVPONIMQPDSN-UHFFFAOYSA-N	-1	0	301.318	0.820	20	30		DCEDRM
C[C@](CO)(CNS(=O)(=O)CC1(CC#N)CC1)CC(=O)[O-]	ZINC000517377273	416800606	/nfs/dbraw/zinc/80/06/06/416800606.db2.gz	SFIRPJMPWWNXNE-LLVKDONJSA-N	-1	0	304.368	0.073	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)[O-]	ZINC000565831826	417024067	/nfs/dbraw/zinc/02/40/67/417024067.db2.gz	GLOSDEXPVLNJNK-GFCCVEGCSA-N	-1	0	315.347	0.629	20	30		DCEDRM
COCCn1cc(S(=O)(=O)[N-]c2cc(C)c(C#N)cn2)cn1	ZINC000566807479	417053782	/nfs/dbraw/zinc/05/37/82/417053782.db2.gz	POAYDPVOLACGDL-UHFFFAOYSA-N	-1	0	321.362	0.905	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)C[C@H]1C(=O)[O-]	ZINC000566974261	417056074	/nfs/dbraw/zinc/05/60/74/417056074.db2.gz	WYIWSDPANDAYPC-ZYHUDNBSSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000643166766	417155379	/nfs/dbraw/zinc/15/53/79/417155379.db2.gz	CKGSOVQVAYLKQJ-UHFFFAOYSA-N	-1	0	306.318	0.320	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CC[C@@H]2CC[C@@H](C(=O)[O-])C[C@H]21	ZINC000568811529	417179616	/nfs/dbraw/zinc/17/96/16/417179616.db2.gz	LGUUZXMSYRDCLI-QJPTWQEYSA-N	-1	0	315.395	0.652	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000627277876	417327710	/nfs/dbraw/zinc/32/77/10/417327710.db2.gz	BLMUZACGDREYFW-CYDGBPFRSA-N	-1	0	324.377	0.263	20	30		DCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000529007611	417407661	/nfs/dbraw/zinc/40/76/61/417407661.db2.gz	FOALKNHFYYELOD-UHFFFAOYSA-N	-1	0	300.340	0.700	20	30		DCEDRM
CC[C@H](CCNS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)[O-]	ZINC000572004652	417454586	/nfs/dbraw/zinc/45/45/86/417454586.db2.gz	JJKJTPONOIRNLZ-GHMZBOCLSA-N	-1	0	305.400	0.803	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@](C)(COC)C(=O)[O-]	ZINC000572936351	417465081	/nfs/dbraw/zinc/46/50/81/417465081.db2.gz	CLQKMEYEJRHWCB-MJVIPROJSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000574330407	417484218	/nfs/dbraw/zinc/48/42/18/417484218.db2.gz	UZOSAPXTSUWCDC-SCZZXKLOSA-N	-1	0	317.392	0.942	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000575923535	417562512	/nfs/dbraw/zinc/56/25/12/417562512.db2.gz	VIIFBJZTHRIQPS-WDEREUQCSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C[C@@H]1CC=CC[C@H]1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530272522	417560876	/nfs/dbraw/zinc/56/08/76/417560876.db2.gz	RJKLNBIBJASIGS-ZWNOBZJWSA-N	-1	0	314.345	0.806	20	30		DCEDRM
C=CCN(C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)[C@@H](C)COC	ZINC000662912631	417949081	/nfs/dbraw/zinc/94/90/81/417949081.db2.gz	KZBABTVMPAVZGQ-NWDGAFQWSA-N	-1	0	312.366	0.359	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000659059165	418051036	/nfs/dbraw/zinc/05/10/36/418051036.db2.gz	RSVRGHQACNBDJP-VIFPVBQESA-N	-1	0	307.306	0.019	20	30		DCEDRM
C=CCCOCC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC000653311974	418056907	/nfs/dbraw/zinc/05/69/07/418056907.db2.gz	CMBLROQKMXNFFI-LBPRGKRZSA-N	-1	0	324.377	0.503	20	30		DCEDRM
C=CCOCC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC000653312399	418058090	/nfs/dbraw/zinc/05/80/90/418058090.db2.gz	MDNXDTLCYDYYEH-NSHDSACASA-N	-1	0	310.350	0.113	20	30		DCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659653007	418136815	/nfs/dbraw/zinc/13/68/15/418136815.db2.gz	QCZMIHQHKTZHIM-JRPNMDOOSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCc2ncncc2C1)C(=O)[O-]	ZINC000649250924	418215370	/nfs/dbraw/zinc/21/53/70/418215370.db2.gz	CPFNPBMTEVFDME-GXFFZTMASA-N	-1	0	305.334	0.354	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ncccc2C#N)c[nH]1	ZINC000361847810	261968043	/nfs/dbraw/zinc/96/80/43/261968043.db2.gz	FSJQXDHPZOEBDP-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cn2c(n1)CCCC2	ZINC000363849973	262134295	/nfs/dbraw/zinc/13/42/95/262134295.db2.gz	DIFWIDBZUAKAEO-UHFFFAOYSA-N	-1	0	306.351	0.625	20	30		DCEDRM
COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000491273142	267379347	/nfs/dbraw/zinc/37/93/47/267379347.db2.gz	JHEWEDSXPFJREK-UHFFFAOYSA-N	-1	0	311.319	0.109	20	30		DCEDRM
COc1cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)ccc1[N+](=O)[O-]	ZINC000440091590	267595882	/nfs/dbraw/zinc/59/58/82/267595882.db2.gz	LHBODUVFQMHEJC-UHFFFAOYSA-N	-1	0	323.290	0.999	20	30		DCEDRM
Cc1cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)ccc1C#N	ZINC000435717782	268019298	/nfs/dbraw/zinc/01/92/98/268019298.db2.gz	RLPVFOUUPOHSAL-UHFFFAOYSA-N	-1	0	319.346	0.349	20	30		DCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)/C=C/c1cccc(C#N)c1	ZINC000492614271	268136950	/nfs/dbraw/zinc/13/69/50/268136950.db2.gz	PQGOKIJTFUAZOG-AATRIKPKSA-N	-1	0	316.342	0.810	20	30		DCEDRM
N#Cc1ccc(Cl)cc1N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424478104	271407033	/nfs/dbraw/zinc/40/70/33/271407033.db2.gz	WVUXUFSQIZFLDO-LLVKDONJSA-N	-1	0	314.750	0.900	20	30		DCEDRM
CN(CCOCc1ccc(C#N)cc1)C(=O)c1n[nH]c(=O)[n-]1	ZINC000562214299	288559373	/nfs/dbraw/zinc/55/93/73/288559373.db2.gz	WYJCGUKDCGTBBD-UHFFFAOYSA-N	-1	0	301.306	0.671	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000228698956	300775719	/nfs/dbraw/zinc/77/57/19/300775719.db2.gz	BDUNBJFSFFKFIJ-CYBMUJFWSA-N	-1	0	309.347	0.971	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000273826685	303170849	/nfs/dbraw/zinc/17/08/49/303170849.db2.gz	VVNAYUPBPADXRK-ZETCQYMHSA-N	-1	0	302.333	0.359	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1	ZINC000290755414	303214104	/nfs/dbraw/zinc/21/41/04/303214104.db2.gz	YSXADMMJEBPTLJ-DRZSPHRISA-N	-1	0	321.358	0.827	20	30		DCEDRM
C[C@@](C#N)(NC(=O)CN1CCCC[C@@H]1c1n[nH]c(=O)[n-]1)C1CC1	ZINC000332886815	332896134	/nfs/dbraw/zinc/89/61/34/332896134.db2.gz	QWELDQHRTHQVLP-ABAIWWIYSA-N	-1	0	318.381	0.846	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCC1(CC(=O)[O-])CCC1	ZINC000518542339	332077576	/nfs/dbraw/zinc/07/75/76/332077576.db2.gz	QWTFCWWLGVNXJH-LLVKDONJSA-N	-1	0	317.411	0.947	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000582126075	332347970	/nfs/dbraw/zinc/34/79/70/332347970.db2.gz	PJIUXRSDFJAHOH-LLVKDONJSA-N	-1	0	310.331	0.227	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CCO[C@H](C)C1)C(=O)[O-]	ZINC000574496762	332380806	/nfs/dbraw/zinc/38/08/06/332380806.db2.gz	WQHGVXWGQIVBRS-WOPDTQHZSA-N	-1	0	300.355	0.757	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	ZINC000569698309	332663464	/nfs/dbraw/zinc/66/34/64/332663464.db2.gz	OOZOHTJRRIVGOS-MNOVXSKESA-N	-1	0	305.400	0.802	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	ZINC000569698306	332663466	/nfs/dbraw/zinc/66/34/66/332663466.db2.gz	OOZOHTJRRIVGOS-GHMZBOCLSA-N	-1	0	305.400	0.802	20	30		DCEDRM
C[C@H]1CN(C([O-])=Nc2cccn(C)c2=O)C[C@]2(CCOC2)O1	ZINC000330347150	336173408	/nfs/dbraw/zinc/17/34/08/336173408.db2.gz	HKQOCMISJFQCGH-NHYWBVRUSA-N	-1	0	307.350	0.811	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000583737475	337331806	/nfs/dbraw/zinc/33/18/06/337331806.db2.gz	ZRHIDKWIJMVRBC-JTQLQIEISA-N	-1	0	311.298	0.510	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccc(C)nc1)C(=O)[O-]	ZINC000584467980	337347458	/nfs/dbraw/zinc/34/74/58/337347458.db2.gz	RNGPWVWFKZUSKA-NSHDSACASA-N	-1	0	300.336	0.324	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)s1	ZINC000584507798	337352502	/nfs/dbraw/zinc/35/25/02/337352502.db2.gz	XXFWJHWPEZXNFH-GMSGAONNSA-N	-1	0	316.360	0.388	20	30		DCEDRM
C#CCNC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O	ZINC000490638596	339836178	/nfs/dbraw/zinc/83/61/78/339836178.db2.gz	YFKURFFBZPKWDN-UHFFFAOYSA-N	-1	0	309.347	0.380	20	30		DCEDRM
C#CCNC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC000491746379	339878204	/nfs/dbraw/zinc/87/82/04/339878204.db2.gz	VBXWDEIUTRNODF-QWHCGFSZSA-N	-1	0	315.329	0.346	20	30		DCEDRM
Cn1nccc1/C=C\C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000492646811	339906127	/nfs/dbraw/zinc/90/61/27/339906127.db2.gz	NVPJOZZHSGMANK-ARJAWSKDSA-N	-1	0	308.363	0.573	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccc2c(c1)OCCO2	ZINC000493319761	339922980	/nfs/dbraw/zinc/92/29/80/339922980.db2.gz	KKQRXONHIHNWMY-HYXAFXHYSA-N	-1	0	322.342	0.831	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)N(C)C(=O)OC(C)(C)C	ZINC000496148593	339999384	/nfs/dbraw/zinc/99/93/84/339999384.db2.gz	SUSUOVYCVHZPQA-VIFPVBQESA-N	-1	0	319.383	0.601	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](CCOC)NC(=O)OCc1ccccc1	ZINC000496504243	340006810	/nfs/dbraw/zinc/00/68/10/340006810.db2.gz	HPNWUNCWSWDJEY-CQSZACIVSA-N	-1	0	320.345	0.999	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](CNC(=O)OC(C)(C)C)OC	ZINC000496686537	340010555	/nfs/dbraw/zinc/01/05/55/340010555.db2.gz	SZFZVCPYAXWSSF-SECBINFHSA-N	-1	0	322.383	0.158	20	30		DCEDRM
C[C@@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1	ZINC000547917838	341239156	/nfs/dbraw/zinc/23/91/56/341239156.db2.gz	YAJFLBVPWXCRJI-RYUDHWBXSA-N	-1	0	317.411	0.899	20	30		DCEDRM
CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)N(CC)C[C@H](C)C#N	ZINC000573855200	341741398	/nfs/dbraw/zinc/74/13/98/341741398.db2.gz	XVNWPVMCBARMGG-GRYCIOLGSA-N	-1	0	317.411	0.898	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1cccc(F)c1C#N	ZINC001601073486	1159780099	/nfs/dbraw/zinc/78/00/99/1159780099.db2.gz	XOTDKXKFPHCSSE-UHFFFAOYSA-N	-1	0	311.294	0.686	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)N(C)CCC(=O)[O-]	ZINC001602747104	1159785104	/nfs/dbraw/zinc/78/51/04/1159785104.db2.gz	KTFOKBHJZOZUDP-ZYHUDNBSSA-N	-1	0	306.384	0.209	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@H](Cc2ccc(O)cc2)C(=O)[O-])CC1	ZINC000274872905	534564700	/nfs/dbraw/zinc/56/47/00/534564700.db2.gz	AXVNQHWMJKZDRC-GFCCVEGCSA-N	-1	0	324.358	0.611	20	30		DCEDRM
CC#CCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000356575877	526339660	/nfs/dbraw/zinc/33/96/60/526339660.db2.gz	CZLCXJFITWYIJR-UHFFFAOYSA-N	-1	0	308.319	0.128	20	30		DCEDRM
C=CCOC[C@H](NC(=O)COc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000262861671	526803640	/nfs/dbraw/zinc/80/36/40/526803640.db2.gz	ARPUFMSWPVUQRD-NSHDSACASA-N	-1	0	311.338	0.188	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CNC(=O)c1cccc(F)c1)C(=O)[O-]	ZINC000263104455	526803752	/nfs/dbraw/zinc/80/37/52/526803752.db2.gz	UJISGJBPERXWTJ-LBPRGKRZSA-N	-1	0	324.308	0.328	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)OC[C@@H]1CCCO1)C(=O)[O-]	ZINC000263070026	526806290	/nfs/dbraw/zinc/80/62/90/526806290.db2.gz	RISAHMMVYNNPNS-SRVKXCTJSA-N	-1	0	301.339	0.343	20	30		DCEDRM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000360848643	527081704	/nfs/dbraw/zinc/08/17/04/527081704.db2.gz	VYAJEKAPEPGGDT-MRVPVSSYSA-N	-1	0	320.392	0.393	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CC#N)CC1	ZINC000277088535	527263877	/nfs/dbraw/zinc/26/38/77/527263877.db2.gz	JXCRKGISFLVVDW-UHFFFAOYSA-N	-1	0	306.288	0.111	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1	ZINC000262572326	527448568	/nfs/dbraw/zinc/44/85/68/527448568.db2.gz	CTMRGFXWHNVPSV-OLZOCXBDSA-N	-1	0	300.314	0.786	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000408487355	527487648	/nfs/dbraw/zinc/48/76/48/527487648.db2.gz	VQOZMSKHWMDSKD-UTUOFQBUSA-N	-1	0	303.380	0.593	20	30		DCEDRM
C#CCCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C	ZINC000735375690	598823626	/nfs/dbraw/zinc/82/36/26/598823626.db2.gz	OYLSEXFJEFEMDJ-UHFFFAOYSA-N	-1	0	314.349	0.656	20	30		DCEDRM
N#C[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCO1	ZINC000737681286	598967782	/nfs/dbraw/zinc/96/77/82/598967782.db2.gz	BGNXIXYWOCBYIG-SECBINFHSA-N	-1	0	308.305	0.539	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)n(CCC#N)n1	ZINC000821008700	597345456	/nfs/dbraw/zinc/34/54/56/597345456.db2.gz	KDGCKVUVZNNBKJ-LLVKDONJSA-N	-1	0	321.337	0.269	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN2CC[C@H](C(=O)[O-])C2)cc1	ZINC000163338962	597526337	/nfs/dbraw/zinc/52/63/37/597526337.db2.gz	NDOLCIDKKQIANJ-LBPRGKRZSA-N	-1	0	308.359	0.738	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2ccc(F)cn2)CC1	ZINC000819822051	597608940	/nfs/dbraw/zinc/60/89/40/597608940.db2.gz	LTLSFYYWYXGORM-OAHLLOKOSA-N	-1	0	320.324	0.874	20	30		DCEDRM
CC(C)(C)NC(=O)NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819908459	597617282	/nfs/dbraw/zinc/61/72/82/597617282.db2.gz	DSPTYAWQQNLTAF-ZDUSSCGKSA-N	-1	0	313.310	0.158	20	30		DCEDRM
C[C@@H]1CN(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H](C)O1	ZINC000820244536	597622270	/nfs/dbraw/zinc/62/22/70/597622270.db2.gz	DTDMSDMBHKZXIY-GPCCPHFNSA-N	-1	0	312.322	0.170	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1nnc2ccccn21	ZINC000819841552	597628088	/nfs/dbraw/zinc/62/80/88/597628088.db2.gz	APQDPLYYBLISSB-AWEZNQCLSA-N	-1	0	301.306	0.393	20	30		DCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)N1CCCC[C@H]1C	ZINC000820114552	597643299	/nfs/dbraw/zinc/64/32/99/597643299.db2.gz	PGAFQAFETNGICY-ZETOZRRWSA-N	-1	0	309.366	0.897	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H](Cn2cccn2)C1	ZINC000819821181	597646874	/nfs/dbraw/zinc/64/68/74/597646874.db2.gz	DBYCKOCKIRPNNT-RISCZKNCSA-N	-1	0	306.322	0.115	20	30		DCEDRM
CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820626574	597650183	/nfs/dbraw/zinc/65/01/83/597650183.db2.gz	RCDFJMGTWKVKCO-OAHLLOKOSA-N	-1	0	310.398	0.087	20	30		DCEDRM
CCC1N=NC(=S)N1CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820503802	597650210	/nfs/dbraw/zinc/65/02/10/597650210.db2.gz	CQDAJWDPDXCJGK-GFCCVEGCSA-N	-1	0	311.367	0.250	20	30		DCEDRM
CC(=O)NCCN(C(=O)C#Cc1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000819744519	597690324	/nfs/dbraw/zinc/69/03/24/597690324.db2.gz	RKVMBJWZAYCXST-LBPRGKRZSA-N	-1	0	302.330	0.476	20	30		DCEDRM
CNC(=O)Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC000820636976	598223507	/nfs/dbraw/zinc/22/35/07/598223507.db2.gz	ALPPZJIJQPWXHH-HNNXBMFYSA-N	-1	0	303.318	0.918	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000819820890	598225393	/nfs/dbraw/zinc/22/53/93/598225393.db2.gz	AQURDVWBTWTCMJ-MEDUHNTESA-N	-1	0	315.329	0.913	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(c2ccccc2)C1=O	ZINC000819834255	598227106	/nfs/dbraw/zinc/22/71/06/598227106.db2.gz	MFQRFZQZQRHDRU-WBMJQRKESA-N	-1	0	315.329	0.913	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000819823421	598227365	/nfs/dbraw/zinc/22/73/65/598227365.db2.gz	UQQKRXSWKGZWFC-HQJQHLMTSA-N	-1	0	321.255	0.270	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(c2ncccc2F)C1	ZINC000819835187	598229995	/nfs/dbraw/zinc/22/99/95/598229995.db2.gz	SPXQKNJKZZATPT-MEBBXXQBSA-N	-1	0	320.324	0.920	20	30		DCEDRM
C=CC1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1	ZINC000735409025	598710671	/nfs/dbraw/zinc/71/06/71/598710671.db2.gz	ARMSJSQOFHYVPA-UHFFFAOYSA-N	-1	0	320.378	0.848	20	30		DCEDRM
C#CCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1	ZINC000736077026	599738258	/nfs/dbraw/zinc/73/82/58/599738258.db2.gz	LNZTZAITNMTWKH-LLVKDONJSA-N	-1	0	322.342	0.042	20	30		DCEDRM
N#Cc1cccnc1N1CCN(C(=O)CCNC(=O)[O-])CC1	ZINC000739141893	599742866	/nfs/dbraw/zinc/74/28/66/599742866.db2.gz	CGBBJXHXRMCJNA-UHFFFAOYSA-N	-1	0	303.322	0.260	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN[C@@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000736106214	599862314	/nfs/dbraw/zinc/86/23/14/599862314.db2.gz	UJADCEXFLPFVFB-CYBMUJFWSA-N	-1	0	321.333	0.422	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)NCCSCC(=O)[O-]	ZINC000738500826	599910210	/nfs/dbraw/zinc/91/02/10/599910210.db2.gz	DXBDLTZJCBLELC-UHFFFAOYSA-N	-1	0	321.358	0.739	20	30		DCEDRM
C#CCN(Cc1cc(C)c(C(=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1	ZINC000736080689	599928116	/nfs/dbraw/zinc/92/81/16/599928116.db2.gz	WOAXHNLZCLHSLM-LLVKDONJSA-N	-1	0	311.359	0.909	20	30		DCEDRM
C=C(Br)Cn1cnc2c(cnn2CC(=O)[O-])c1=O	ZINC000736095194	600029158	/nfs/dbraw/zinc/02/91/58/600029158.db2.gz	MMPBYAONHJTDSP-UHFFFAOYSA-N	-1	0	313.111	0.586	20	30		DCEDRM
C#Cc1ccc(C(=O)OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cn1	ZINC000736092773	600118853	/nfs/dbraw/zinc/11/88/53/600118853.db2.gz	JWMWVDYQURWEKK-ZDUSSCGKSA-N	-1	0	318.329	0.835	20	30		DCEDRM
N#Cc1cccc(CNC(=O)COC(=O)CCNC(=O)[O-])c1	ZINC000739133476	600202975	/nfs/dbraw/zinc/20/29/75/600202975.db2.gz	IXSJDAVTURMTCS-UHFFFAOYSA-N	-1	0	305.290	0.375	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21	ZINC000739077134	600401879	/nfs/dbraw/zinc/40/18/79/600401879.db2.gz	IQFZPCHRMOSWBQ-JTQLQIEISA-N	-1	0	305.265	0.688	20	30		DCEDRM
Cc1nn(C)c2nc(C)c(C(=O)N(CC#N)CC(=O)[O-])cc12	ZINC000738871311	600406486	/nfs/dbraw/zinc/40/64/86/600406486.db2.gz	AHTYCJJSHZDPTK-UHFFFAOYSA-N	-1	0	301.306	0.636	20	30		DCEDRM
CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000736889355	600649244	/nfs/dbraw/zinc/64/92/44/600649244.db2.gz	XGZIPZSQAUBRTE-NOZJJQNGSA-N	-1	0	319.317	0.726	20	30		DCEDRM
C#Cc1cccc(N(C)S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1	ZINC000825636107	600738585	/nfs/dbraw/zinc/73/85/85/600738585.db2.gz	CESLBNVCDWYZFJ-UHFFFAOYSA-N	-1	0	319.342	0.774	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000739085128	600764210	/nfs/dbraw/zinc/76/42/10/600764210.db2.gz	CKRIDKMMXZCMFQ-UHFFFAOYSA-N	-1	0	317.254	0.333	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000739087387	600764766	/nfs/dbraw/zinc/76/47/66/600764766.db2.gz	YIQHTGNHUFAQQG-UHFFFAOYSA-N	-1	0	313.722	0.811	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)NCCSCC(=O)[O-])c1C#N	ZINC000832971537	600888552	/nfs/dbraw/zinc/88/85/52/600888552.db2.gz	SKTQBZDIWWSSSQ-UHFFFAOYSA-N	-1	0	321.358	0.739	20	30		DCEDRM
Cc1nc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])n(-c2ccc(C#N)cc2)n1	ZINC000738865100	601021345	/nfs/dbraw/zinc/02/13/45/601021345.db2.gz	UYEUPWPORIRBDA-NWDGAFQWSA-N	-1	0	311.301	0.529	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1c[nH]c(=O)c(Br)c1	ZINC000739079166	601063913	/nfs/dbraw/zinc/06/39/13/601063913.db2.gz	SHFRTQWPAQEYKB-UHFFFAOYSA-N	-1	0	314.095	0.600	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)N(CCC#N)CC(C)(C)C	ZINC000830727593	601259962	/nfs/dbraw/zinc/25/99/62/601259962.db2.gz	XRPWHXGXYYNQGO-UHFFFAOYSA-N	-1	0	305.400	0.899	20	30		DCEDRM
COC(=O)N(C)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000831199113	601349365	/nfs/dbraw/zinc/34/93/65/601349365.db2.gz	XXLJZTFCRBYBFT-LBPRGKRZSA-N	-1	0	306.274	0.925	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1	ZINC000833040990	601357303	/nfs/dbraw/zinc/35/73/03/601357303.db2.gz	VLDBXTWOBYNFKN-UHFFFAOYSA-N	-1	0	319.317	0.377	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC000825608820	601387383	/nfs/dbraw/zinc/38/73/83/601387383.db2.gz	LZXXFHWBMCKKLE-UHFFFAOYSA-N	-1	0	313.356	0.712	20	30		DCEDRM
CN(CCC#N)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000830723205	601561886	/nfs/dbraw/zinc/56/18/86/601561886.db2.gz	QUGJSVSNXHHPMS-CQSZACIVSA-N	-1	0	301.346	0.870	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@H](CC(=O)[O-])C1	ZINC000831084456	601573312	/nfs/dbraw/zinc/57/33/12/601573312.db2.gz	LFEJTPQGGNEHAB-HIFRSBDPSA-N	-1	0	318.329	0.948	20	30		DCEDRM
Cn1c(Nc2cccc(CC(=O)[O-])c2)c(C#N)c(=O)n(C)c1=O	ZINC000738402732	602010227	/nfs/dbraw/zinc/01/02/27/602010227.db2.gz	AJPGWKYHGKLQHL-UHFFFAOYSA-N	-1	0	314.301	0.326	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)nc1	ZINC000831137224	603465891	/nfs/dbraw/zinc/46/58/91/603465891.db2.gz	TXSFEAJZANIENJ-NEPJUHHUSA-N	-1	0	317.349	0.918	20	30		DCEDRM
N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCCNC(=O)[O-])c1	ZINC000831126812	603578777	/nfs/dbraw/zinc/57/87/77/603578777.db2.gz	SJBUPWBTVBKEKM-UHFFFAOYSA-N	-1	0	324.724	0.924	20	30		DCEDRM
CN(C)c1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)ccn1	ZINC000828056663	603595872	/nfs/dbraw/zinc/59/58/72/603595872.db2.gz	UKGLAZWQQOGPIF-LLVKDONJSA-N	-1	0	303.322	0.476	20	30		DCEDRM
N#CCN1CCN(C(=O)[C@H](NC(=O)[O-])c2ccccc2)CC1	ZINC000831102218	603627165	/nfs/dbraw/zinc/62/71/65/603627165.db2.gz	CIIFWWDFSVDSLX-CYBMUJFWSA-N	-1	0	302.334	0.663	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000828365657	603651296	/nfs/dbraw/zinc/65/12/96/603651296.db2.gz	BKHSFIFSLJMOQB-QWHCGFSZSA-N	-1	0	303.318	0.630	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1	ZINC000824054670	603722082	/nfs/dbraw/zinc/72/20/82/603722082.db2.gz	BLWGMQOORHRLGZ-ZDUSSCGKSA-N	-1	0	308.382	0.679	20	30		DCEDRM
C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825897090	603728317	/nfs/dbraw/zinc/72/83/17/603728317.db2.gz	VDKDMDHUUNLSMU-AGIUHOORSA-N	-1	0	308.382	0.869	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)NCC1CCCCC1	ZINC000831092286	603730030	/nfs/dbraw/zinc/73/00/30/603730030.db2.gz	RRLHISVDWXDSJS-CYBMUJFWSA-N	-1	0	308.382	0.871	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000827111433	603800359	/nfs/dbraw/zinc/80/03/59/603800359.db2.gz	NEXNRSWHEOYOCC-ZDUSSCGKSA-N	-1	0	315.301	0.384	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)nc1	ZINC000831136499	603838656	/nfs/dbraw/zinc/83/86/56/603838656.db2.gz	DNPVNIQLVILEGS-AWEZNQCLSA-N	-1	0	321.312	0.573	20	30		DCEDRM
CN(C(=O)[O-])[C@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000827875807	603843676	/nfs/dbraw/zinc/84/36/76/603843676.db2.gz	ILNHQUHKHCGHTF-QWHCGFSZSA-N	-1	0	302.334	0.769	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)C[C@H]2CCCN2C(=O)[O-])C1	ZINC000831102907	603916574	/nfs/dbraw/zinc/91/65/74/603916574.db2.gz	YWSNINVOFZBNEN-QWHCGFSZSA-N	-1	0	308.382	0.871	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CNC(=O)[O-])c1ccccc1	ZINC000823457132	603923713	/nfs/dbraw/zinc/92/37/13/603923713.db2.gz	VGWMZINNQIVMES-YPMHNXCESA-N	-1	0	318.329	0.719	20	30		DCEDRM
C[C@@H](OC(=O)C[C@H]1CCCN1C(=O)[O-])C(=O)N(C)CCC#N	ZINC000825580456	603934635	/nfs/dbraw/zinc/93/46/35/603934635.db2.gz	SUTKQTGPWKOCOK-GHMZBOCLSA-N	-1	0	311.338	0.823	20	30		DCEDRM
Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000830353484	604065844	/nfs/dbraw/zinc/06/58/44/604065844.db2.gz	RKPLXGCCOUXGBW-LBPRGKRZSA-N	-1	0	316.317	0.648	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCc2c[nH]nc2C1	ZINC000831077049	604067772	/nfs/dbraw/zinc/06/77/72/604067772.db2.gz	VZCBAQPBGOWQAK-GXSJLCMTSA-N	-1	0	303.322	0.229	20	30		DCEDRM
Cc1nc(SCCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n[nH]1	ZINC000830893880	604078462	/nfs/dbraw/zinc/07/84/62/604078462.db2.gz	PMXKLZGKFHBAQH-VIFPVBQESA-N	-1	0	324.366	0.310	20	30		DCEDRM
Cc1[nH]nc2ncc(C(=O)N3CCN(C(=O)[O-])C[C@@H]3C#N)cc12	ZINC000829832850	604088603	/nfs/dbraw/zinc/08/86/03/604088603.db2.gz	AJBUZZSUWWUKEZ-JTQLQIEISA-N	-1	0	314.305	0.594	20	30		DCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC000824863572	604088562	/nfs/dbraw/zinc/08/85/62/604088562.db2.gz	XGDBLIWQDXCONC-JTQLQIEISA-N	-1	0	305.338	0.727	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCn1cc(Cl)cn1	ZINC000831081918	604088977	/nfs/dbraw/zinc/08/89/77/604088977.db2.gz	DIWJMABLQNATOZ-SNVBAGLBSA-N	-1	0	311.729	0.641	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)NCCCN(C)C(=O)[O-])c1C#N	ZINC000830512176	604141434	/nfs/dbraw/zinc/14/14/34/604141434.db2.gz	UMLAKWYOMHVXEE-UHFFFAOYSA-N	-1	0	318.333	0.921	20	30		DCEDRM
C[C@@]1(C(=O)OCCn2ncc(C#N)c2N)CCN(C(=O)[O-])C1	ZINC000825690840	604186670	/nfs/dbraw/zinc/18/66/70/604186670.db2.gz	NQRHWIXTUKETTC-CYBMUJFWSA-N	-1	0	307.310	0.270	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)CCO1	ZINC000831077230	604219675	/nfs/dbraw/zinc/21/96/75/604219675.db2.gz	XQEQZIUXKRZXDB-QWHCGFSZSA-N	-1	0	318.333	0.929	20	30		DCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC000824887926	604240816	/nfs/dbraw/zinc/24/08/16/604240816.db2.gz	FMDSYXBBJDGLAD-LKFCYVNXSA-N	-1	0	311.338	0.584	20	30		DCEDRM
C#CCOCCOC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000823463263	604266502	/nfs/dbraw/zinc/26/65/02/604266502.db2.gz	KLTDRWQYOQABGD-UHFFFAOYSA-N	-1	0	322.321	0.400	20	30		DCEDRM
N#C[C@@H](C(=O)Nc1ccccn1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000831066290	604388373	/nfs/dbraw/zinc/38/83/73/604388373.db2.gz	VXNUYEWPBODUMF-ZJUUUORDSA-N	-1	0	318.289	0.108	20	30		DCEDRM
CC(C)(C)c1nnc(NC(=O)CN(CC#N)CC(=O)[O-])s1	ZINC000826528007	604476778	/nfs/dbraw/zinc/47/67/78/604476778.db2.gz	CEBDTAGTBCTDCC-UHFFFAOYSA-N	-1	0	311.367	0.684	20	30		DCEDRM
CC(C)Cc1nnc(NC(=O)CN(CC#N)CC(=O)[O-])s1	ZINC000826912670	604477027	/nfs/dbraw/zinc/47/70/27/604477027.db2.gz	FCLFDTOHQQGKCO-UHFFFAOYSA-N	-1	0	311.367	0.585	20	30		DCEDRM
CS(=O)(=O)c1csc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000833737004	604479252	/nfs/dbraw/zinc/47/92/52/604479252.db2.gz	KNRMXMMXEVAQPI-UHFFFAOYSA-N	-1	0	302.333	0.202	20	30		DCEDRM
CC(=NNS(=O)(=O)c1ccccc1)c1cn(CC(=O)[O-])nn1	ZINC000825804633	604780957	/nfs/dbraw/zinc/78/09/57/604780957.db2.gz	QDVXIOWXIXEKIT-UHFFFAOYSA-N	-1	0	323.334	0.065	20	30		DCEDRM
CC(N=Nc1ncccc1[N+](=O)[O-])c1cn(CC(=O)[O-])nn1	ZINC000825809106	604787427	/nfs/dbraw/zinc/78/74/27/604787427.db2.gz	NGHFMJXPIVQKOC-UHFFFAOYSA-N	-1	0	305.254	0.502	20	30		DCEDRM
COc1cc(C)nc(N=NC(C)c2cn(CC(=O)[O-])nn2)n1	ZINC000831972393	604787600	/nfs/dbraw/zinc/78/76/00/604787600.db2.gz	JSDXLSDWWUCIAL-UHFFFAOYSA-N	-1	0	305.298	0.306	20	30		DCEDRM
CN(CCCNC(=O)[O-])C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000828293753	604817044	/nfs/dbraw/zinc/81/70/44/604817044.db2.gz	QOGOBHOYWGYTON-UHFFFAOYSA-N	-1	0	304.302	0.883	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cnccc1C(=O)[O-]	ZINC000826677259	604873158	/nfs/dbraw/zinc/87/31/58/604873158.db2.gz	QXBSGZVAQLKONL-OAHLLOKOSA-N	-1	0	319.317	0.991	20	30		DCEDRM
CN(C(=O)CN1CCOC[C@@H]1C#N)c1ccccc1C(=O)[O-]	ZINC000833685421	604952749	/nfs/dbraw/zinc/95/27/49/604952749.db2.gz	HGRCMNFSAQVLIX-NSHDSACASA-N	-1	0	303.318	0.572	20	30		DCEDRM
C[C@H](C(=O)NCC(=O)[O-])N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000833404787	604973420	/nfs/dbraw/zinc/97/34/20/604973420.db2.gz	PGICYXZNRIQRMG-RISCZKNCSA-N	-1	0	317.345	0.521	20	30		DCEDRM
CC(C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)[O-]	ZINC000833460660	605016357	/nfs/dbraw/zinc/01/63/57/605016357.db2.gz	LCARIPQRMRKVBP-UHFFFAOYSA-N	-1	0	313.291	0.608	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000833371896	605060772	/nfs/dbraw/zinc/06/07/72/605060772.db2.gz	ZKZNYIGMCREMGO-LBPRGKRZSA-N	-1	0	313.375	0.777	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)NCCCNC(=O)[O-]	ZINC000829840349	605206614	/nfs/dbraw/zinc/20/66/14/605206614.db2.gz	YQRMSPKGHAMUPD-UHFFFAOYSA-N	-1	0	304.306	0.579	20	30		DCEDRM
C=CCNC(=O)CN1CCN(C[C@@H]2CC(C(=O)[O-])=C(C)O2)CC1	ZINC000833377096	605314791	/nfs/dbraw/zinc/31/47/91/605314791.db2.gz	LZWBWYCZZVXPOZ-ZDUSSCGKSA-N	-1	0	323.393	0.054	20	30		DCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823506341	605345573	/nfs/dbraw/zinc/34/55/73/605345573.db2.gz	GTUZARHJCKPBGF-ZJUUUORDSA-N	-1	0	311.363	0.483	20	30		DCEDRM
N#C[C@H](C(=O)C[C@@H]1CSCCN1C(=O)[O-])C(=O)NC1CC1	ZINC000831065049	605346898	/nfs/dbraw/zinc/34/68/98/605346898.db2.gz	OFEOYQFVDLKZJT-NXEZZACHSA-N	-1	0	311.363	0.459	20	30		DCEDRM
C[C@]1(C#N)CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC000833551878	605417357	/nfs/dbraw/zinc/41/73/57/605417357.db2.gz	UEFIQXLHWYYYHI-CYBMUJFWSA-N	-1	0	315.395	0.653	20	30		DCEDRM
CC(N=Nc1cc(Cl)nc(N)n1)c1cn(CC(=O)[O-])nn1	ZINC000833386616	605417770	/nfs/dbraw/zinc/41/77/70/605417770.db2.gz	MWYSGJMATDUAJO-UHFFFAOYSA-N	-1	0	310.705	0.224	20	30		DCEDRM
N#CCN1CCC(NC(=O)CC[C@@H]2CCN(C(=O)[O-])C2)CC1	ZINC000833966782	605460774	/nfs/dbraw/zinc/46/07/74/605460774.db2.gz	LGQBKIKKOBMOSZ-GFCCVEGCSA-N	-1	0	308.382	0.871	20	30		DCEDRM
CC(C[C@@H]1CCCN1C(=O)[O-])N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000824766918	605465862	/nfs/dbraw/zinc/46/58/62/605465862.db2.gz	FKWMZPPXOYAOGO-QMMMGPOBSA-N	-1	0	319.325	0.752	20	30		DCEDRM
COCCN(CCC#N)C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000828979396	605641912	/nfs/dbraw/zinc/64/19/12/605641912.db2.gz	GXBYYRISPBKSGI-LLVKDONJSA-N	-1	0	315.395	0.861	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)CSCC#N)[C@@H](C(=O)[O-])C1	ZINC000833707110	605650678	/nfs/dbraw/zinc/65/06/78/605650678.db2.gz	FDMDQPRHISDSQI-DTWKUNHWSA-N	-1	0	300.336	0.108	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])nc1	ZINC000833368489	605652325	/nfs/dbraw/zinc/65/23/25/605652325.db2.gz	OIDGSRYPZWNIOF-YPMHNXCESA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=CCOCCCC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833376006	605662756	/nfs/dbraw/zinc/66/27/56/605662756.db2.gz	QJLNIXXXLYEHRK-VXGBXAGGSA-N	-1	0	313.350	0.834	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833374996	605692733	/nfs/dbraw/zinc/69/27/33/605692733.db2.gz	DDBYOVSWLGFZSY-OLZOCXBDSA-N	-1	0	324.377	0.525	20	30		DCEDRM
Cc1onc(CC(=O)N2C[C@@H](CNC(=O)[O-])C[C@H]2C)c1C#N	ZINC000833937647	605697698	/nfs/dbraw/zinc/69/76/98/605697698.db2.gz	YOJVKPFZTDLKQU-PSASIEDQSA-N	-1	0	306.322	0.902	20	30		DCEDRM
O=C([O-])N[C@H]1CC(=NN[C@@H]2CCS(=O)(=O)C2)c2ccccc21	ZINC000834156632	605738909	/nfs/dbraw/zinc/73/89/09/605738909.db2.gz	BGUJJHDLFDYBIL-SKDRFNHKSA-N	-1	0	323.374	0.880	20	30		DCEDRM
O=C([O-])N[C@H]1CC(=NN[C@H]2CCS(=O)(=O)C2)c2ccccc21	ZINC000834156629	605739041	/nfs/dbraw/zinc/73/90/41/605739041.db2.gz	BGUJJHDLFDYBIL-CABZTGNLSA-N	-1	0	323.374	0.880	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)NC[C@H]2CCCN2C(=O)[O-])cc1	ZINC000833972506	605838076	/nfs/dbraw/zinc/83/80/76/605838076.db2.gz	DMMJTWZMUCDDFH-OLZOCXBDSA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000833972813	605840091	/nfs/dbraw/zinc/84/00/91/605840091.db2.gz	HOKPRCCBBWZTED-CHWSQXEVSA-N	-1	0	314.301	0.306	20	30		DCEDRM
CN(CCNS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000833872503	605845424	/nfs/dbraw/zinc/84/54/24/605845424.db2.gz	LIDHPRMLJZXPJZ-UHFFFAOYSA-N	-1	0	301.299	0.585	20	30		DCEDRM
O=C([O-])N[C@H]1CCCC1=NNC(=S)NC[C@H]1CCCO1	ZINC000834167958	605857103	/nfs/dbraw/zinc/85/71/03/605857103.db2.gz	FKMZFCWNFMCRBZ-BDAKNGLRSA-N	-1	0	300.384	0.806	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H](O)CCc1ccccc1	ZINC000833966556	605966753	/nfs/dbraw/zinc/96/67/53/605966753.db2.gz	LVQIXANRHMAHDP-KGLIPLIRSA-N	-1	0	317.345	0.694	20	30		DCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000833788068	605970012	/nfs/dbraw/zinc/97/00/12/605970012.db2.gz	MKYPFSJBFZHVGH-CYBMUJFWSA-N	-1	0	302.302	0.656	20	30		DCEDRM
Cn1cnc2cc(C(=O)N3CCN(C(=O)[O-])C[C@@H]3C#N)ccc21	ZINC000833959909	605976547	/nfs/dbraw/zinc/97/65/47/605976547.db2.gz	XZDZNVRFLKVVQC-NSHDSACASA-N	-1	0	313.317	0.901	20	30		DCEDRM
N#C[C@H](C(=O)CCOC1CN(C(=O)[O-])C1)C(=O)N1CCCC1	ZINC000833960607	606109587	/nfs/dbraw/zinc/10/95/87/606109587.db2.gz	JXYZIYRQRSQMPL-LLVKDONJSA-N	-1	0	309.322	0.087	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc(-c2nn[nH]n2)cn1C	ZINC000820131290	606407140	/nfs/dbraw/zinc/40/71/40/606407140.db2.gz	BJBTWMZNXZBSJQ-VIFPVBQESA-N	-1	0	301.310	0.052	20	30		DCEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1	ZINC000820691808	607217239	/nfs/dbraw/zinc/21/72/39/607217239.db2.gz	ZOFQHBUXNBICPC-TVQRCGJNSA-N	-1	0	315.341	0.047	20	30		DCEDRM
C=C(Br)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730534166	664789676	/nfs/dbraw/zinc/78/96/76/664789676.db2.gz	FGQOFFYSHGHXRB-UHFFFAOYSA-N	-1	0	312.127	0.096	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2	ZINC000317737811	661125677	/nfs/dbraw/zinc/12/56/77/661125677.db2.gz	WVOFVNJSEUZGFV-SECBINFHSA-N	-1	0	322.342	0.451	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000981992840	661268471	/nfs/dbraw/zinc/26/84/71/661268471.db2.gz	KXKFVXVESMABIA-NEPJUHHUSA-N	-1	0	321.381	0.136	20	30		DCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)cn1	ZINC000049502062	657469252	/nfs/dbraw/zinc/46/92/52/657469252.db2.gz	YNURDQIABFTYHA-UHFFFAOYSA-N	-1	0	303.731	0.501	20	30		DCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2cc(C#N)cs2)cnn1C	ZINC000813953403	657977927	/nfs/dbraw/zinc/97/79/27/657977927.db2.gz	SSILWPMFBQTVQK-UHFFFAOYSA-N	-1	0	310.360	0.780	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C(=O)C2)CC1	ZINC000810986177	658133233	/nfs/dbraw/zinc/13/32/33/658133233.db2.gz	QDZFJVGDPZFEQK-SNVBAGLBSA-N	-1	0	300.380	0.410	20	30		DCEDRM
Cc1c(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cnn1C	ZINC000125496265	659508238	/nfs/dbraw/zinc/50/82/38/659508238.db2.gz	GBIDDTBJGPBKRJ-GFCCVEGCSA-N	-1	0	306.366	0.982	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)cc2c[nH]nc21	ZINC000726732142	661665781	/nfs/dbraw/zinc/66/57/81/661665781.db2.gz	AZQTUQALNUYSQQ-GFCCVEGCSA-N	-1	0	300.318	0.956	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)c1[O-]	ZINC000937469327	662070677	/nfs/dbraw/zinc/07/06/77/662070677.db2.gz	UHCFUKZJVGUYKL-ONGXEEELSA-N	-1	0	319.365	0.694	20	30		DCEDRM
C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001029422521	662165764	/nfs/dbraw/zinc/16/57/64/662165764.db2.gz	MYABBIMRXHJSHU-PHIMTYICSA-N	-1	0	305.382	0.898	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(N2CCOCC2)ccn1	ZINC000909515516	662170251	/nfs/dbraw/zinc/17/02/51/662170251.db2.gz	WGPWAHUUUHWDLM-UHFFFAOYSA-N	-1	0	305.334	0.631	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cnnc2)cc1	ZINC000729888420	662912007	/nfs/dbraw/zinc/91/20/07/662912007.db2.gz	FNBLFQGWYYMBAF-CYBMUJFWSA-N	-1	0	313.317	0.352	20	30		DCEDRM
CC1(CCC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CC1	ZINC000899551900	663152358	/nfs/dbraw/zinc/15/23/58/663152358.db2.gz	QZYHBFYQLWXHTO-UHFFFAOYSA-N	-1	0	302.334	0.784	20	30		DCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCCCO2)C1	ZINC000899929256	663201500	/nfs/dbraw/zinc/20/15/00/663201500.db2.gz	APCBBFBLURZIJX-QWHCGFSZSA-N	-1	0	315.391	0.685	20	30		DCEDRM
CC1CCN(S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)CC1	ZINC000899930923	663201680	/nfs/dbraw/zinc/20/16/80/663201680.db2.gz	UMCSHMOIDHZNDY-CYBMUJFWSA-N	-1	0	314.407	0.763	20	30		DCEDRM
N#CC[C@@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)C(F)(F)F	ZINC000901770922	663367071	/nfs/dbraw/zinc/36/70/71/663367071.db2.gz	DZEIZJNZCHDLRR-MRVPVSSYSA-N	-1	0	324.284	0.788	20	30		DCEDRM
C=CCOC[C@H](N[C@H]1C[C@H](NC(=O)[O-])C12CCC2)C(=O)OC	ZINC000904237931	663506018	/nfs/dbraw/zinc/50/60/18/663506018.db2.gz	XLGYZWWOVCOTHW-SRVKXCTJSA-N	-1	0	312.366	0.899	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC	ZINC000802169031	663515242	/nfs/dbraw/zinc/51/52/42/663515242.db2.gz	ZVIJUUUNSXDYRG-QWRGUYRKSA-N	-1	0	303.380	0.824	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@]1(OC)CCSC1)C(=O)[O-]	ZINC000905605613	663565953	/nfs/dbraw/zinc/56/59/53/663565953.db2.gz	SHJRNXKUVCYNDX-MFKMUULPSA-N	-1	0	318.395	0.464	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)C1	ZINC000907126940	663669500	/nfs/dbraw/zinc/66/95/00/663669500.db2.gz	IGLWIYYOFPYLAS-UHFFFAOYSA-N	-1	0	313.306	0.201	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)NCCN1CCOCC1(C)C)C(=O)[O-]	ZINC000908935817	663775306	/nfs/dbraw/zinc/77/53/06/663775306.db2.gz	ARQANAFQDNYEMC-LBPRGKRZSA-N	-1	0	313.398	0.816	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@]1(C)Br)C(=O)[O-]	ZINC000909771445	663800300	/nfs/dbraw/zinc/80/03/00/663800300.db2.gz	PNVSIKJTKAQUQW-LAEOZQHASA-N	-1	0	306.156	0.932	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1scnc1COC)C(=O)[O-]	ZINC000909769676	663800588	/nfs/dbraw/zinc/80/05/88/663800588.db2.gz	BCBWJQXTCVEXOX-SECBINFHSA-N	-1	0	300.336	0.675	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cn2c(n1)CC[C@H](C)C2)C(=O)[O-]	ZINC000909772777	663800915	/nfs/dbraw/zinc/80/09/15/663800915.db2.gz	VFEPRUGZJGIXOB-JQWIXIFHSA-N	-1	0	307.350	0.851	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc2ncn(C)c21)C(=O)[O-]	ZINC000909772532	663800958	/nfs/dbraw/zinc/80/09/58/663800958.db2.gz	ROMQJKDRSHUDSP-LBPRGKRZSA-N	-1	0	303.318	0.959	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)[O-]	ZINC000910052480	663837254	/nfs/dbraw/zinc/83/72/54/663837254.db2.gz	ZCBRIFPLADTTHU-OLZOCXBDSA-N	-1	0	321.377	0.507	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1COc2cc(OC)ccc2C1)C(=O)[O-]	ZINC000910054020	663837892	/nfs/dbraw/zinc/83/78/92/663837892.db2.gz	HPNXMOMQLDGAHQ-DGCLKSJQSA-N	-1	0	303.314	0.839	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CSCN1C(=O)C1CCCC1)C(=O)[O-]	ZINC000910054760	663837896	/nfs/dbraw/zinc/83/78/96/663837896.db2.gz	SIUDTIOHCWDYGD-VXGBXAGGSA-N	-1	0	324.402	0.671	20	30		DCEDRM
C#CC[N@H+](C)CCCNC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000911405127	664049421	/nfs/dbraw/zinc/04/94/21/664049421.db2.gz	RCYIAFUMIABZOD-UHFFFAOYSA-N	-1	0	304.346	0.835	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](c2cc(=O)[nH][nH]2)C1	ZINC000911850878	664116974	/nfs/dbraw/zinc/11/69/74/664116974.db2.gz	ARVOQEVGZOMPNT-WCQYABFASA-N	-1	0	306.366	0.902	20	30		DCEDRM
COC(=O)c1cn[n-]c1S(=O)(=O)Oc1ccccc1C#N	ZINC000912527227	664184052	/nfs/dbraw/zinc/18/40/52/664184052.db2.gz	AYVGYZKHISZJLE-UHFFFAOYSA-N	-1	0	307.287	0.836	20	30		DCEDRM
C[C@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000763027950	664824030	/nfs/dbraw/zinc/82/40/30/664824030.db2.gz	FVPFNRJMNDTUPV-ONGXEEELSA-N	-1	0	300.380	0.987	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1csc(NC(C)=O)n1	ZINC000916870605	665098063	/nfs/dbraw/zinc/09/80/63/665098063.db2.gz	LPQYAGVIVZLPRP-SECBINFHSA-N	-1	0	324.362	0.577	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccoc2)[nH]n1	ZINC000916890946	665099359	/nfs/dbraw/zinc/09/93/59/665099359.db2.gz	QFUWVYLPTZLGRE-SNVBAGLBSA-N	-1	0	302.290	0.755	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCCN2C(=O)[C@@H](C)C#N)c1[O-]	ZINC000944250151	666411426	/nfs/dbraw/zinc/41/14/26/666411426.db2.gz	WHVCWDSSLDLIKF-WCBMZHEXSA-N	-1	0	305.338	0.304	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)C#N)c1[O-]	ZINC000996088178	666737817	/nfs/dbraw/zinc/73/78/17/666737817.db2.gz	NNZDMJQYFPOXLO-SNXWAXQRSA-N	-1	0	317.349	0.445	20	30		DCEDRM
C#CCCN(CC(F)(F)F)C(=O)c1cnc([O-])n(C)c1=O	ZINC000768618047	666783623	/nfs/dbraw/zinc/78/36/23/666783623.db2.gz	NAYWPXRUTGGYOY-UHFFFAOYSA-N	-1	0	303.240	0.514	20	30		DCEDRM
COc1ccc(C=NN2CCN(C)CC2)c(OCC(=O)[O-])c1	ZINC000734362105	666869151	/nfs/dbraw/zinc/86/91/51/666869151.db2.gz	LOXVNMIRXXOFSM-UHFFFAOYSA-N	-1	0	307.350	0.740	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000861144137	666902080	/nfs/dbraw/zinc/90/20/80/666902080.db2.gz	OFVQTEAGYZAVDM-WDEREUQCSA-N	-1	0	305.396	0.981	20	30		DCEDRM
COCC(COC)NN=Cc1[nH]nc2cc(C(=O)[O-])ccc12	ZINC000863194553	667116693	/nfs/dbraw/zinc/11/66/93/667116693.db2.gz	KFVQCWBNAKGCAH-UHFFFAOYSA-N	-1	0	306.322	0.846	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-]	ZINC000863419420	667141664	/nfs/dbraw/zinc/14/16/64/667141664.db2.gz	AIUQKDLGEPZDNJ-MRVPVSSYSA-N	-1	0	319.770	0.846	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1c(C)onc1N)C(=O)[O-]	ZINC000863420776	667142419	/nfs/dbraw/zinc/14/24/19/667142419.db2.gz	RJEZBAYBOWLMIV-ZCFIWIBFSA-N	-1	0	309.731	0.439	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CSCN1C(C)=O)C(=O)[O-]	ZINC000864184357	667222961	/nfs/dbraw/zinc/22/29/61/667222961.db2.gz	QAIVOLWLHCYBEG-RKDXNWHRSA-N	-1	0	306.771	0.620	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)/C=C/c1cncc(C(=O)NC)c1)C(=O)[O-]	ZINC000864188331	667223025	/nfs/dbraw/zinc/22/30/25/667223025.db2.gz	SPVHLTWQSMYPIZ-MUBLQREKSA-N	-1	0	317.345	0.990	20	30		DCEDRM
C=C(Cl)CN1CCO[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001035336584	667301962	/nfs/dbraw/zinc/30/19/62/667301962.db2.gz	KPHVYVARJWRYHL-SNVBAGLBSA-N	-1	0	314.773	0.607	20	30		DCEDRM
N#CCc1ccsc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000868438859	667572281	/nfs/dbraw/zinc/57/22/81/667572281.db2.gz	JINNSOQJJCKGBQ-QMTHXVAHSA-N	-1	0	306.343	0.987	20	30		DCEDRM
CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000838893487	667718942	/nfs/dbraw/zinc/71/89/42/667718942.db2.gz	DEZNXROBLVKWKB-JTQLQIEISA-N	-1	0	316.379	0.858	20	30		DCEDRM
Cc1nc(S(=O)(=O)[N-]C(=O)c2cc(C#N)oc2C)cn1C	ZINC000839020385	667726916	/nfs/dbraw/zinc/72/69/16/667726916.db2.gz	LURUOBMPAMLZLS-UHFFFAOYSA-N	-1	0	308.319	0.620	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2)n1	ZINC000870329639	667731843	/nfs/dbraw/zinc/73/18/43/667731843.db2.gz	JYMOQWCEYSUCPF-UHFFFAOYSA-N	-1	0	308.363	0.160	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(-n2cccn2)c1	ZINC000740529396	667746131	/nfs/dbraw/zinc/74/61/31/667746131.db2.gz	MGVLYNVLBGWHGC-GFCCVEGCSA-N	-1	0	313.317	0.352	20	30		DCEDRM
C[NH+](C)CCN1C[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)CC1=O	ZINC000870692426	667752030	/nfs/dbraw/zinc/75/20/30/667752030.db2.gz	DDAWMPPDVCHGRL-ZDUSSCGKSA-N	-1	0	316.361	0.378	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)c1	ZINC000870690462	667752063	/nfs/dbraw/zinc/75/20/63/667752063.db2.gz	GHTYOTQHRPFQDJ-NFFDBFGFSA-N	-1	0	314.297	0.689	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(CCC)C2)CC1	ZINC000870837354	667765469	/nfs/dbraw/zinc/76/54/69/667765469.db2.gz	ITDYADMFSQHBGY-SNVBAGLBSA-N	-1	0	300.380	0.410	20	30		DCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)NCCCOC)c1	ZINC000744024619	667819210	/nfs/dbraw/zinc/81/92/10/667819210.db2.gz	ZDUMEAVOOZGZDB-CYBMUJFWSA-N	-1	0	317.345	0.521	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1)C(=O)[O-]	ZINC000871649801	667841562	/nfs/dbraw/zinc/84/15/62/667841562.db2.gz	QGODVMBDNTZZTE-VOAKCMCISA-N	-1	0	312.366	0.899	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])sc1C	ZINC000871973127	667860908	/nfs/dbraw/zinc/86/09/08/667860908.db2.gz	LSXAMAYKXYTADG-SECBINFHSA-N	-1	0	315.372	0.777	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000871973479	667861006	/nfs/dbraw/zinc/86/10/06/667861006.db2.gz	YBOFOALBVACKNI-GFCCVEGCSA-N	-1	0	309.343	0.336	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc2c(cnn2C)c1	ZINC000747479223	667904413	/nfs/dbraw/zinc/90/44/13/667904413.db2.gz	ITQOIYZJHJIAJD-LLVKDONJSA-N	-1	0	301.306	0.053	20	30		DCEDRM
Cn1ccnc(N=NCc2ccccc2OCC(=O)[O-])c1=O	ZINC000748079048	667918331	/nfs/dbraw/zinc/91/83/31/667918331.db2.gz	BUHMTZPSROIDLS-UHFFFAOYSA-N	-1	0	302.290	0.690	20	30		DCEDRM
CC(=NN[C@@H]1CCS(=O)(=O)C1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749603003	667958488	/nfs/dbraw/zinc/95/84/88/667958488.db2.gz	DUPVQUGSUOALLU-SNVBAGLBSA-N	-1	0	313.335	0.801	20	30		DCEDRM
N#Cc1ccc(CCC(=O)[N-]S(=O)(=O)N2CCOCC2)cc1	ZINC000750731694	667986355	/nfs/dbraw/zinc/98/63/55/667986355.db2.gz	NZCIWEDPTYVFFQ-UHFFFAOYSA-N	-1	0	323.374	0.184	20	30		DCEDRM
N#CCn1cc([N-]S(=O)(=O)c2cccc3c2OCCO3)cn1	ZINC000751276594	667998818	/nfs/dbraw/zinc/99/88/18/667998818.db2.gz	UXDSOUHJHPCRFI-UHFFFAOYSA-N	-1	0	320.330	0.979	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000753155405	668026642	/nfs/dbraw/zinc/02/66/42/668026642.db2.gz	POGISOPUURGPIQ-CQSZACIVSA-N	-1	0	300.322	0.223	20	30		DCEDRM
C#CCOCCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000753242131	668027801	/nfs/dbraw/zinc/02/78/01/668027801.db2.gz	XKPGWRLKYXSQES-UHFFFAOYSA-N	-1	0	314.338	0.577	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccnc(O[C@@H]2CCOC2)c1	ZINC000755604165	668062699	/nfs/dbraw/zinc/06/26/99/668062699.db2.gz	OWPZRPUZXRUISI-OLZOCXBDSA-N	-1	0	315.329	0.850	20	30		DCEDRM
Cc1[nH]cnc1C=NNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000755761905	668065467	/nfs/dbraw/zinc/06/54/67/668065467.db2.gz	KWJFAEPRFQCTIM-UHFFFAOYSA-N	-1	0	309.307	0.939	20	30		DCEDRM
CC(C)N1C(=O)CC[C@H]1C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000873511409	668087415	/nfs/dbraw/zinc/08/74/15/668087415.db2.gz	FNSIHMYZEWBJQI-QWRGUYRKSA-N	-1	0	302.334	0.711	20	30		DCEDRM
C[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)Cc2ccccc21	ZINC000873819290	668114912	/nfs/dbraw/zinc/11/49/12/668114912.db2.gz	LTIMHVXXPCFACY-NSHDSACASA-N	-1	0	324.340	0.966	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cncc(N2CCOCC2)c1	ZINC000757410104	668130654	/nfs/dbraw/zinc/13/06/54/668130654.db2.gz	QFVYVVDOGPNKHI-CQSZACIVSA-N	-1	0	314.345	0.519	20	30		DCEDRM
C=CCCOCC[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000867017487	668133189	/nfs/dbraw/zinc/13/31/89/668133189.db2.gz	MCFJKXTYNDUYPG-UHFFFAOYSA-N	-1	0	303.336	0.937	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C(=O)OCC)cnc1C	ZINC000760251962	668265115	/nfs/dbraw/zinc/26/51/15/668265115.db2.gz	QRHSPGYSQGQABY-UHFFFAOYSA-N	-1	0	312.347	0.812	20	30		DCEDRM
COC(=O)c1occc1/C=C\C(=O)c1cnc([O-])n(C)c1=O	ZINC000761806284	668337344	/nfs/dbraw/zinc/33/73/44/668337344.db2.gz	WFYIKTCWZPUNNY-ARJAWSKDSA-N	-1	0	304.258	0.762	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCO2	ZINC000763928174	668426829	/nfs/dbraw/zinc/42/68/29/668426829.db2.gz	BUZYESPHTYUNGQ-SNVBAGLBSA-N	-1	0	306.322	0.141	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@]23CCOC3)cc1	ZINC000764754129	668461120	/nfs/dbraw/zinc/46/11/20/668461120.db2.gz	QFRZUAXHMBTJKQ-ZFWWWQNUSA-N	-1	0	320.370	0.931	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)c1ncoc1C	ZINC000766985355	668556258	/nfs/dbraw/zinc/55/62/58/668556258.db2.gz	APNGXEMUMAVGHJ-UHFFFAOYSA-N	-1	0	321.314	0.982	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1	ZINC000767501601	668575674	/nfs/dbraw/zinc/57/56/74/668575674.db2.gz	VAXCXSUUNBIGNN-UHFFFAOYSA-N	-1	0	301.368	0.862	20	30		DCEDRM
C=CCN1C(=O)/C(=C\c2cn(CC(=O)[O-])nn2)SC1=S	ZINC000768849122	668624837	/nfs/dbraw/zinc/62/48/37/668624837.db2.gz	RWENFNNPTFUFIZ-XBXARRHUSA-N	-1	0	310.360	0.750	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CC(=O)N(C2CC2)C1	ZINC000770868728	668721038	/nfs/dbraw/zinc/72/10/38/668721038.db2.gz	OLMGLCXGJPGYNM-MWLCHTKSSA-N	-1	0	300.318	0.323	20	30		DCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cn1	ZINC000771072494	668730011	/nfs/dbraw/zinc/73/00/11/668730011.db2.gz	WSPGSCIEUTYHDN-UHFFFAOYSA-N	-1	0	309.347	0.844	20	30		DCEDRM
COc1cccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)n1	ZINC000771077954	668730178	/nfs/dbraw/zinc/73/01/78/668730178.db2.gz	WVVODFTYVMPAMI-UHFFFAOYSA-N	-1	0	309.347	0.844	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)CCCC	ZINC000772717180	668782169	/nfs/dbraw/zinc/78/21/69/668782169.db2.gz	FFTLEKYLGHRFEB-JTQLQIEISA-N	-1	0	320.436	0.710	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1	ZINC000772716998	668782138	/nfs/dbraw/zinc/78/21/38/668782138.db2.gz	MBBFEDPDSFGLEZ-UHFFFAOYSA-N	-1	0	314.319	0.778	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](CCCC)NC(=O)NCC	ZINC000772717765	668782373	/nfs/dbraw/zinc/78/23/73/668782373.db2.gz	HKGWLYDTDDPYJE-SNVBAGLBSA-N	-1	0	305.400	0.496	20	30		DCEDRM
C[C@H](CN(C)C(=O)COc1cccc(C#N)c1)c1nnn[n-]1	ZINC000774005708	668819240	/nfs/dbraw/zinc/81/92/40/668819240.db2.gz	SDCJNOIMLDMMRY-SNVBAGLBSA-N	-1	0	300.322	0.712	20	30		DCEDRM
Cn1nccc1CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000774184318	668826007	/nfs/dbraw/zinc/82/60/07/668826007.db2.gz	PYYFBJYSLMCGTE-UHFFFAOYSA-N	-1	0	310.379	0.493	20	30		DCEDRM
COC(=O)[C@H](C)n1cccc1C=NNc1nnc(C)c(=O)[n-]1	ZINC000774575064	668838529	/nfs/dbraw/zinc/83/85/29/668838529.db2.gz	ZOJFAYYOVIGOEW-VIFPVBQESA-N	-1	0	304.310	0.867	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000776140833	668871598	/nfs/dbraw/zinc/87/15/98/668871598.db2.gz	NAQYQFFEUNKIOE-UHFFFAOYSA-N	-1	0	321.358	0.933	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cccc(NC(N)=O)c1	ZINC000776138426	668871710	/nfs/dbraw/zinc/87/17/10/668871710.db2.gz	NJYYYUXPSJZOSJ-UHFFFAOYSA-N	-1	0	324.362	0.787	20	30		DCEDRM
CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1	ZINC000776145566	668871909	/nfs/dbraw/zinc/87/19/09/668871909.db2.gz	DBVVZMQGSMNUFY-CYBMUJFWSA-N	-1	0	315.395	0.241	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC000777907214	668892775	/nfs/dbraw/zinc/89/27/75/668892775.db2.gz	LYTVEUUEXRMVBR-LBPRGKRZSA-N	-1	0	313.379	0.991	20	30		DCEDRM
N#CCc1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1	ZINC000780314956	668978497	/nfs/dbraw/zinc/97/84/97/668978497.db2.gz	KYSHTVFACUXKKR-UHFFFAOYSA-N	-1	0	311.301	0.739	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)cc1	ZINC000781498881	669046632	/nfs/dbraw/zinc/04/66/32/669046632.db2.gz	BIDOIHKZNDKFTO-AWEZNQCLSA-N	-1	0	323.370	0.937	20	30		DCEDRM
CCOCCOCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783285130	669153819	/nfs/dbraw/zinc/15/38/19/669153819.db2.gz	LRJHODLRBGOCNF-UHFFFAOYSA-N	-1	0	320.305	0.403	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)CO1	ZINC000784482718	669206580	/nfs/dbraw/zinc/20/65/80/669206580.db2.gz	UCCPVOMUAPMCCC-MFKMUULPSA-N	-1	0	308.359	0.929	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)CO1	ZINC000784482716	669206748	/nfs/dbraw/zinc/20/67/48/669206748.db2.gz	UCCPVOMUAPMCCC-GXFFZTMASA-N	-1	0	308.359	0.929	20	30		DCEDRM
C[C@@]1(C(=O)OCc2cc(=O)n3[n-]cc(C#N)c3n2)CCOC1	ZINC000784696606	669217596	/nfs/dbraw/zinc/21/75/96/669217596.db2.gz	YOJXKFGZBWXHTP-CQSZACIVSA-N	-1	0	302.290	0.776	20	30		DCEDRM
CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000880829669	669272098	/nfs/dbraw/zinc/27/20/98/669272098.db2.gz	FRBYHILNKWTINT-VXGBXAGGSA-N	-1	0	316.361	0.886	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)c(=O)[n-]c1=O	ZINC000880830410	669272438	/nfs/dbraw/zinc/27/24/38/669272438.db2.gz	LZQJRFBZECETTJ-GWCFXTLKSA-N	-1	0	314.345	0.640	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCC(=O)N2C)n1	ZINC000786178893	669298434	/nfs/dbraw/zinc/29/84/34/669298434.db2.gz	SIBONCOMKVPCQC-VHSXEESVSA-N	-1	0	321.358	0.792	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1	ZINC000786975485	669345425	/nfs/dbraw/zinc/34/54/25/669345425.db2.gz	QGQMZBPSLGXIQC-NXEZZACHSA-N	-1	0	301.368	0.028	20	30		DCEDRM
C[C@H](NC(=O)C(=O)[N-]OC1CCOCC1)c1ccc(C#N)cc1	ZINC000787343926	669369479	/nfs/dbraw/zinc/36/94/79/669369479.db2.gz	INSDSXSTTLTQJZ-NSHDSACASA-N	-1	0	317.345	0.962	20	30		DCEDRM
C#CC[C@H](CO)[N-]S(=O)(=O)c1onc(C2CC2)c1Cl	ZINC000882341553	669504773	/nfs/dbraw/zinc/50/47/73/669504773.db2.gz	WPCIQGHQQATAID-MRVPVSSYSA-N	-1	0	304.755	0.868	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2C(=O)O1	ZINC000791110347	669594387	/nfs/dbraw/zinc/59/43/87/669594387.db2.gz	CEFSMPUDBBJLQX-GFCCVEGCSA-N	-1	0	307.327	0.237	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(C)c1Br	ZINC000791772193	669628642	/nfs/dbraw/zinc/62/86/42/669628642.db2.gz	YVWXHCICHQUUHW-ZETCQYMHSA-N	-1	0	311.139	0.807	20	30		DCEDRM
CC[C@H](NN=Cc1ccc(S(N)(=O)=O)c(Cl)c1)C(=O)[O-]	ZINC000793077758	669701481	/nfs/dbraw/zinc/70/14/81/669701481.db2.gz	HWUWMOFNJXTPPC-VIFPVBQESA-N	-1	0	319.770	0.774	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC000793985752	669763138	/nfs/dbraw/zinc/76/31/38/669763138.db2.gz	GOTFPDKWKWLBGT-UHFFFAOYSA-N	-1	0	316.379	0.978	20	30		DCEDRM
C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000046930534	669924238	/nfs/dbraw/zinc/92/42/38/669924238.db2.gz	FYLOSIHEQNVKTK-KCJUWKMLSA-N	-1	0	307.335	0.964	20	30		DCEDRM
C[C@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000796811533	669943210	/nfs/dbraw/zinc/94/32/10/669943210.db2.gz	JTDQULPRWDKHNQ-ZJUUUORDSA-N	-1	0	300.380	0.987	20	30		DCEDRM
N#Cc1ccccc1C=CC(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796891762	669946932	/nfs/dbraw/zinc/94/69/32/669946932.db2.gz	UJSBNSDDFLVUPD-WAYWQWQTSA-N	-1	0	302.315	0.800	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)COC(F)F	ZINC000797029883	669953651	/nfs/dbraw/zinc/95/36/51/669953651.db2.gz	CVBNOMNJAOAUQM-UHFFFAOYSA-N	-1	0	304.274	0.911	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)OC)[nH]2)CC1	ZINC000797272388	669961447	/nfs/dbraw/zinc/96/14/47/669961447.db2.gz	KHGBCGFGQVDULS-UHFFFAOYSA-N	-1	0	312.347	0.970	20	30		DCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C/c1ccccc1C#N	ZINC000797286536	669962740	/nfs/dbraw/zinc/96/27/40/669962740.db2.gz	XIKNNHVLHLUJLP-QROSGCPLSA-N	-1	0	322.342	0.579	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCC(=C)Br)C(=O)[O-]	ZINC000797715252	669973679	/nfs/dbraw/zinc/97/36/79/669973679.db2.gz	MBVWKFQSDPIPCN-MRVPVSSYSA-N	-1	0	307.144	0.850	20	30		DCEDRM
COCCOc1cncc(C([O-])=C(C#N)C(=O)NC(C)C)c1	ZINC000802042763	670148965	/nfs/dbraw/zinc/14/89/65/670148965.db2.gz	WRLKLEWJUGHXDA-ZDUSSCGKSA-N	-1	0	305.334	0.954	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cncc(OCCOC)c1	ZINC000802121926	670151332	/nfs/dbraw/zinc/15/13/32/670151332.db2.gz	VNIOYBIALVUETE-UHFFFAOYSA-N	-1	0	300.336	0.352	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)CCn1ccnn1	ZINC000802203065	670157180	/nfs/dbraw/zinc/15/71/80/670157180.db2.gz	GDXMVMAPSOOCPI-UHFFFAOYSA-N	-1	0	323.309	0.184	20	30		DCEDRM
CS(=O)(=O)[N-]c1nnc(NC(=O)C#Cc2ccccc2)s1	ZINC000080586539	670339862	/nfs/dbraw/zinc/33/98/62/670339862.db2.gz	YBOMOCZDDZMOOD-UHFFFAOYSA-N	-1	0	322.371	0.900	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1nnc2ccccc2n1	ZINC000810527157	670488252	/nfs/dbraw/zinc/48/82/52/670488252.db2.gz	IXQBIEDCDRVOGZ-JTQLQIEISA-N	-1	0	313.317	0.500	20	30		DCEDRM
CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCCOC)cc1	ZINC000810529747	670488854	/nfs/dbraw/zinc/48/88/54/670488854.db2.gz	NHUGVQKISNPNEH-CYBMUJFWSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000810609495	670492009	/nfs/dbraw/zinc/49/20/09/670492009.db2.gz	LXIJMKOVRVIDDU-UHFFFAOYSA-N	-1	0	311.319	0.844	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1nnc2ccccc2n1	ZINC000810657465	670492746	/nfs/dbraw/zinc/49/27/46/670492746.db2.gz	ZEBPKIUROMANFO-UHFFFAOYSA-N	-1	0	319.346	0.634	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2)n1	ZINC000810773759	670496988	/nfs/dbraw/zinc/49/69/88/670496988.db2.gz	FMHMFXRVFSJQDM-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc2c(C)cccn2c1=O	ZINC000810777430	670497133	/nfs/dbraw/zinc/49/71/33/670497133.db2.gz	BULRATTVUZZNJH-UHFFFAOYSA-N	-1	0	319.342	0.086	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(C(=O)NC2CC2)c1	ZINC000810777910	670497299	/nfs/dbraw/zinc/49/72/99/670497299.db2.gz	QMEFPRJFWDTWKR-UHFFFAOYSA-N	-1	0	320.370	0.662	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(Cl)nc(NC)c1	ZINC000810779524	670497515	/nfs/dbraw/zinc/49/75/15/670497515.db2.gz	QQECTFNWEHMFMV-UHFFFAOYSA-N	-1	0	301.755	0.860	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1COc2ccc(OC)cc2C1	ZINC000810779858	670497548	/nfs/dbraw/zinc/49/75/48/670497548.db2.gz	DJDCFKUEPZSNQA-LBPRGKRZSA-N	-1	0	323.370	0.716	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OCC)c(C)n1	ZINC000810783004	670497812	/nfs/dbraw/zinc/49/78/12/670497812.db2.gz	ALERFSWFZGPRNX-UHFFFAOYSA-N	-1	0	324.358	0.650	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(-n2cccn2)c1	ZINC000810782436	670497817	/nfs/dbraw/zinc/49/78/17/670497817.db2.gz	MLMCEDASXQBPKS-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc2c(C)cccn2c1=O	ZINC000810784506	670497961	/nfs/dbraw/zinc/49/79/61/670497961.db2.gz	IDLBRXNZXRGYOL-UHFFFAOYSA-N	-1	0	319.342	0.086	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cn1ccc2ccccc2c1=O	ZINC000810783388	670498066	/nfs/dbraw/zinc/49/80/66/670498066.db2.gz	NFLPPRSCJJPVKM-UHFFFAOYSA-N	-1	0	318.354	0.471	20	30		DCEDRM
COCC1(S(=O)(=O)[N-]C(=O)c2cc(C#N)cs2)CC1	ZINC000811156826	670511934	/nfs/dbraw/zinc/51/19/34/670511934.db2.gz	SNDRQAFXZHFZMS-UHFFFAOYSA-N	-1	0	300.361	0.858	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnc(N(C)C)cn1	ZINC000847620855	670582975	/nfs/dbraw/zinc/58/29/75/670582975.db2.gz	DUINRYLXGQOWEY-JTQLQIEISA-N	-1	0	305.338	0.018	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](C)NC(=O)c1cc2c(C)nn(C)c2s1	ZINC000812784061	670595821	/nfs/dbraw/zinc/59/58/21/670595821.db2.gz	SOBMPSZBHDESAD-VIFPVBQESA-N	-1	0	320.374	0.743	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O	ZINC000812782350	670596017	/nfs/dbraw/zinc/59/60/17/670596017.db2.gz	RGJSVHHQROOLHI-GFCCVEGCSA-N	-1	0	316.313	0.492	20	30		DCEDRM
CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCC#N)cc1	ZINC000813083075	670609980	/nfs/dbraw/zinc/60/99/80/670609980.db2.gz	IPYSDXHPWTWCFZ-UHFFFAOYSA-N	-1	0	323.374	0.887	20	30		DCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2cccc(F)c2C#N)cnn1C	ZINC000813950714	670664606	/nfs/dbraw/zinc/66/46/06/670664606.db2.gz	CEKRDAWXQDIBRM-UHFFFAOYSA-N	-1	0	322.321	0.858	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2conc2C2CC2)c1	ZINC000813983665	670668230	/nfs/dbraw/zinc/66/82/30/670668230.db2.gz	DTBLHECHQZRJOR-UHFFFAOYSA-N	-1	0	318.314	0.937	20	30		DCEDRM
CC(C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)C(=O)[O-]	ZINC000848638816	670707824	/nfs/dbraw/zinc/70/78/24/670707824.db2.gz	WAIRMCZPFROHLP-LLVKDONJSA-N	-1	0	311.363	0.974	20	30		DCEDRM
Cc1nn(C)cc1C([O-])=C(C#N)C(=O)NCCCOC(C)C	ZINC000113651833	670755629	/nfs/dbraw/zinc/75/56/29/670755629.db2.gz	UHRRXFVZJXDYRR-LBPRGKRZSA-N	-1	0	306.366	0.982	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCCC2=O	ZINC000849219845	670766845	/nfs/dbraw/zinc/76/68/45/670766845.db2.gz	YNPSLNYEKWSDNS-UHFFFAOYSA-N	-1	0	321.354	0.914	20	30		DCEDRM
CCn1ncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)n1	ZINC000816009198	670779442	/nfs/dbraw/zinc/77/94/42/670779442.db2.gz	ROKHTEBBJIQQCX-UHFFFAOYSA-N	-1	0	311.367	0.442	20	30		DCEDRM
COC(=O)c1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c[nH]1	ZINC000816005216	670779659	/nfs/dbraw/zinc/77/96/59/670779659.db2.gz	DCKMGAQVAMELNY-UHFFFAOYSA-N	-1	0	313.335	0.411	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000816005146	670779718	/nfs/dbraw/zinc/77/97/18/670779718.db2.gz	AZWACHWYOVNLDH-UHFFFAOYSA-N	-1	0	306.347	0.871	20	30		DCEDRM
CC(C)(C)n1nnc(C([O-])=C(C#N)C(=O)Nc2ccccn2)n1	ZINC000850781997	670940076	/nfs/dbraw/zinc/94/00/76/670940076.db2.gz	IDHDSKMDTZEESX-VIFPVBQESA-N	-1	0	313.321	0.784	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000817865721	670949205	/nfs/dbraw/zinc/94/92/05/670949205.db2.gz	XOAMKJRMSMQIGG-GXSJLCMTSA-N	-1	0	323.374	0.753	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1	ZINC000850913093	670954143	/nfs/dbraw/zinc/95/41/43/670954143.db2.gz	MHHLJCGVHDKPJO-JTQLQIEISA-N	-1	0	303.380	0.986	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000850936520	670955544	/nfs/dbraw/zinc/95/55/44/670955544.db2.gz	YGLKWUAYQHNUNP-RYUDHWBXSA-N	-1	0	318.395	0.082	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000850933841	670955831	/nfs/dbraw/zinc/95/58/31/670955831.db2.gz	JVBVRDMOUYIQAP-RYUDHWBXSA-N	-1	0	318.395	0.082	20	30		DCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)[C@H]1CCCO1	ZINC000850940573	670956122	/nfs/dbraw/zinc/95/61/22/670956122.db2.gz	PWECMIXMHMTOQP-WDEREUQCSA-N	-1	0	300.380	0.941	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnc3n2CCC3)CCC1	ZINC000850960572	670958113	/nfs/dbraw/zinc/95/81/13/670958113.db2.gz	KNFFQMWAMSLUMI-UHFFFAOYSA-N	-1	0	308.363	0.583	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)[C@H]1CCOC1	ZINC000850960812	670958128	/nfs/dbraw/zinc/95/81/28/670958128.db2.gz	MWUXTAZOAXQSBC-QWRGUYRKSA-N	-1	0	316.379	0.178	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cn2cc(C3CC3)cn2)CCC1	ZINC000850961291	670958172	/nfs/dbraw/zinc/95/81/72/670958172.db2.gz	ZVNRGUHIVAYIQI-UHFFFAOYSA-N	-1	0	322.390	0.900	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12	ZINC000850999925	670960201	/nfs/dbraw/zinc/96/02/01/670960201.db2.gz	MSILMOBLNVLWJR-TUAOUCFPSA-N	-1	0	312.391	0.151	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(C(F)(F)F)cnn1C	ZINC000851000376	670960635	/nfs/dbraw/zinc/96/06/35/670960635.db2.gz	UIPDKKRVNJEHJD-UHFFFAOYSA-N	-1	0	309.269	0.522	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CCCC1	ZINC000851041285	670963585	/nfs/dbraw/zinc/96/35/85/670963585.db2.gz	REBNWWIJJRAFIQ-ZDUSSCGKSA-N	-1	0	323.374	0.963	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)c1	ZINC000851189999	670972749	/nfs/dbraw/zinc/97/27/49/670972749.db2.gz	APBJOAQQVQJUMO-PJXYFTJBSA-N	-1	0	324.333	0.536	20	30		DCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851329127	670978935	/nfs/dbraw/zinc/97/89/35/670978935.db2.gz	BFZJYKPZNNOVIS-UHFFFAOYSA-N	-1	0	312.307	0.879	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)Cc1cc(OC)ns1	ZINC000851436985	670988561	/nfs/dbraw/zinc/98/85/61/670988561.db2.gz	WCFWGDOPPQMTFY-UHFFFAOYSA-N	-1	0	302.377	0.901	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000851683775	671012337	/nfs/dbraw/zinc/01/23/37/671012337.db2.gz	OLJRGRAGHCZEDI-QWHCGFSZSA-N	-1	0	324.377	0.100	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCc1nnn[n-]1	ZINC000819272592	671107355	/nfs/dbraw/zinc/10/73/55/671107355.db2.gz	ZSGHZUKZCXJTKT-VIFPVBQESA-N	-1	0	323.357	0.403	20	30		DCEDRM
COC1CC(C(=O)OCc2cc(=O)n3[n-]cc(C#N)c3n2)C1	ZINC000859844411	671149120	/nfs/dbraw/zinc/14/91/20/671149120.db2.gz	LYEUZQQVYMGOTC-UHFFFAOYSA-N	-1	0	302.290	0.775	20	30		DCEDRM
Cc1ccc(-n2[n-]c(C(=O)N[C@H]3CCN(O)C3=O)cc2=O)cc1	ZINC000820179606	671176242	/nfs/dbraw/zinc/17/62/42/671176242.db2.gz	MUJVIPYGCDZONM-NSHDSACASA-N	-1	0	316.317	0.194	20	30		DCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cc(F)c(F)c([O-])c1F	ZINC000820482727	671205271	/nfs/dbraw/zinc/20/52/71/671205271.db2.gz	QQFUVWZLXCBEDL-ZETCQYMHSA-N	-1	0	304.224	0.920	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC000853068791	671205950	/nfs/dbraw/zinc/20/59/50/671205950.db2.gz	DXKXLRIWITZLHU-ONGXEEELSA-N	-1	0	301.368	0.476	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccc(C(N)=O)o2)CC1	ZINC000853125335	671209961	/nfs/dbraw/zinc/20/99/61/671209961.db2.gz	QNXWOWSYIHZVDP-GQCTYLIASA-N	-1	0	324.358	0.946	20	30		DCEDRM
C#CCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC000820818444	671230961	/nfs/dbraw/zinc/23/09/61/671230961.db2.gz	XAIRNPDWSKOSHB-UHFFFAOYSA-N	-1	0	300.318	0.225	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)CCOCC1	ZINC000820865307	671234401	/nfs/dbraw/zinc/23/44/01/671234401.db2.gz	RUCPAZDNHAMYGZ-LLVKDONJSA-N	-1	0	305.396	0.840	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)c1ccc(F)cc1	ZINC000860752024	671235094	/nfs/dbraw/zinc/23/50/94/671235094.db2.gz	JXFFFOQUEHIAHK-LLVKDONJSA-N	-1	0	300.311	0.873	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C\c2ccc(O)c(F)c2)c(=O)n(C)c1=O	ZINC000821012160	671245465	/nfs/dbraw/zinc/24/54/65/671245465.db2.gz	DYHKMQFBERKWLL-XQRVVYSFSA-N	-1	0	320.276	0.530	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C\c2ccc(F)cc2F)c(=O)n(C)c1=O	ZINC000821013315	671245949	/nfs/dbraw/zinc/24/59/49/671245949.db2.gz	YRVDWLVUSYOBEE-XQRVVYSFSA-N	-1	0	322.267	0.964	20	30		DCEDRM
CC(=O)Nc1nc(C(=O)[N-]S(=O)(=O)CCC#N)cs1	ZINC000821583657	671284477	/nfs/dbraw/zinc/28/44/77/671284477.db2.gz	COPZYAKEZURJEW-UHFFFAOYSA-N	-1	0	302.337	0.075	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2nn[nH]n2)s1	ZINC000822802222	671345974	/nfs/dbraw/zinc/34/59/74/671345974.db2.gz	XKPQBPYCGYPWGS-MRVPVSSYSA-N	-1	0	316.346	0.873	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC000824021129	671416436	/nfs/dbraw/zinc/41/64/36/671416436.db2.gz	ITARQQLUSWJPAZ-GFCCVEGCSA-N	-1	0	310.361	0.950	20	30		DCEDRM
CON(C)CCCNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000824510386	671432293	/nfs/dbraw/zinc/43/22/93/671432293.db2.gz	VXUCMJSJBHQPKA-UHFFFAOYSA-N	-1	0	310.379	0.994	20	30		DCEDRM
Cc1ccc(CNC(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)cc1	ZINC000826287963	671483096	/nfs/dbraw/zinc/48/30/96/671483096.db2.gz	KZDYLSDBFDPGGX-UHFFFAOYSA-N	-1	0	322.332	0.560	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CCOc1ccc(C#N)cc1	ZINC000826386113	671486869	/nfs/dbraw/zinc/48/68/69/671486869.db2.gz	PLZCEKNTVJWSIN-UHFFFAOYSA-N	-1	0	306.289	0.886	20	30		DCEDRM
C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(CC#N)CC(=O)[O-]	ZINC000827436699	671527760	/nfs/dbraw/zinc/52/77/60/671527760.db2.gz	FPTCXBHXQXFOJQ-SNVBAGLBSA-N	-1	0	313.354	0.926	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C(=O)OC	ZINC000828104297	671544500	/nfs/dbraw/zinc/54/45/00/671544500.db2.gz	DAECDUUCEXUECI-ZDUSSCGKSA-N	-1	0	323.393	0.999	20	30		DCEDRM
COc1ccc(NC(=O)Cn2cnc(C#N)n2)cc1NC(=O)[O-]	ZINC000829453419	671576416	/nfs/dbraw/zinc/57/64/16/671576416.db2.gz	GMVZKGRZIMSSTB-UHFFFAOYSA-N	-1	0	316.277	0.887	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC	ZINC000835315153	671793213	/nfs/dbraw/zinc/79/32/13/671793213.db2.gz	OXTRJEVSKZSSPD-YTWAJWBKSA-N	-1	0	319.379	0.221	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC	ZINC000835315154	671793266	/nfs/dbraw/zinc/79/32/66/671793266.db2.gz	OXTRJEVSKZSSPD-ZDCRXTMVSA-N	-1	0	319.379	0.221	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1cnn2ccccc12	ZINC000842752511	672034407	/nfs/dbraw/zinc/03/44/07/672034407.db2.gz	NKQSFONASQLBKT-UHFFFAOYSA-N	-1	0	306.347	0.627	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1(F)CC1	ZINC000842804904	672038926	/nfs/dbraw/zinc/03/89/26/672038926.db2.gz	RWKYUFLSYFFWAT-UHFFFAOYSA-N	-1	0	313.266	0.773	20	30		DCEDRM
O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnccn1	ZINC000843760263	672118564	/nfs/dbraw/zinc/11/85/64/672118564.db2.gz	BVQCVZYXMCCKTR-UHFFFAOYSA-N	-1	0	317.330	0.154	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000844790988	672202920	/nfs/dbraw/zinc/20/29/20/672202920.db2.gz	DKHCBWOTYKJJNN-MRVPVSSYSA-N	-1	0	316.360	0.484	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000844794328	672203240	/nfs/dbraw/zinc/20/32/40/672203240.db2.gz	HCTZYNRXLJEJBF-RYUDHWBXSA-N	-1	0	317.411	0.899	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)cn1	ZINC000844818993	672204656	/nfs/dbraw/zinc/20/46/56/672204656.db2.gz	UFYQLCYIOCXYLA-UHFFFAOYSA-N	-1	0	319.342	0.442	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1	ZINC000846153499	672297911	/nfs/dbraw/zinc/29/79/11/672297911.db2.gz	HCKZHYBGLZODDF-JTQLQIEISA-N	-1	0	321.333	0.372	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1	ZINC000846537207	672326566	/nfs/dbraw/zinc/32/65/66/672326566.db2.gz	IRPHBGSEBLMCBI-LBPRGKRZSA-N	-1	0	320.349	0.801	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCc3n[nH]cc3C2)CC1	ZINC000793195354	685343864	/nfs/dbraw/zinc/34/38/64/685343864.db2.gz	JZAHACHXSQHSHP-VIFPVBQESA-N	-1	0	308.363	0.264	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1F)n1cnc(C#N)n1	ZINC000798814078	685347014	/nfs/dbraw/zinc/34/70/14/685347014.db2.gz	PKVZZLMYBZOHOF-QMMMGPOBSA-N	-1	0	323.309	0.355	20	30		DCEDRM
Cn1cc2c(n1)CCC[C@H]2C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000798849310	685347690	/nfs/dbraw/zinc/34/76/90/685347690.db2.gz	ZZVCCQZASKUNGR-SNVBAGLBSA-N	-1	0	324.406	0.836	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)CSCC(=O)[O-])C(=O)OCC	ZINC000902268553	685453309	/nfs/dbraw/zinc/45/33/09/685453309.db2.gz	LKYDZHPFHVEFGE-MRVPVSSYSA-N	-1	0	309.771	0.995	20	30		DCEDRM
Cn1c2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)cc2[nH]c1=O	ZINC000113651646	685115476	/nfs/dbraw/zinc/11/54/76/685115476.db2.gz	DNLDVTDRPAOGNH-LLVKDONJSA-N	-1	0	312.329	0.811	20	30		DCEDRM
Cn1c2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)cc2[nH]c1=O	ZINC000113651648	685115505	/nfs/dbraw/zinc/11/55/05/685115505.db2.gz	DNLDVTDRPAOGNH-NSHDSACASA-N	-1	0	312.329	0.811	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001038267703	694031188	/nfs/dbraw/zinc/03/11/88/694031188.db2.gz	YZOQIPNMCBZEPA-TUAOUCFPSA-N	-1	0	321.381	0.182	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001008465361	690872601	/nfs/dbraw/zinc/87/26/01/690872601.db2.gz	QTBHNOPNCSOXSV-LLVKDONJSA-N	-1	0	305.382	0.947	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001040127406	694494659	/nfs/dbraw/zinc/49/46/59/694494659.db2.gz	SEGDJQVTDOIWRX-NHYWBVRUSA-N	-1	0	318.381	0.484	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001077066779	695135362	/nfs/dbraw/zinc/13/53/62/695135362.db2.gz	XPCAMPYVZHQCBU-ONGXEEELSA-N	-1	0	324.381	0.639	20	30		DCEDRM
C#CCCCC(=O)NC1(C[NH2+]Cc2nc(=O)n(C)[nH]2)CCCC1	ZINC001772512146	1157382504	/nfs/dbraw/zinc/38/25/04/1157382504.db2.gz	RPIAPRWJPCTCGM-UHFFFAOYSA-N	-1	0	319.409	0.431	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001746133681	1158288611	/nfs/dbraw/zinc/28/86/11/1158288611.db2.gz	CYTLTLGVEHGKKE-MNOVXSKESA-N	-1	0	322.365	0.087	20	30		DCEDRM
Cc1nc(C#N)cc(NC(=N)SCCS(=O)(=O)[O-])n1	ZINC001157327062	1159080735	/nfs/dbraw/zinc/08/07/35/1159080735.db2.gz	IQRUGAYJLNPFFS-UHFFFAOYSA-N	-1	0	301.353	0.624	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)C1CCOCC1)OCC	ZINC001320205834	1159159015	/nfs/dbraw/zinc/15/90/15/1159159015.db2.gz	GTISGMOZKLWCKG-LBPRGKRZSA-N	-1	0	305.396	0.983	20	30		DCEDRM
CC(C)c1ncc(CN(C)c2[n-]c(=O)n(C)c(=O)c2C#N)cn1	ZINC001364558930	1159182670	/nfs/dbraw/zinc/18/26/70/1159182670.db2.gz	PDQKTKRKYDWQGN-UHFFFAOYSA-N	-1	0	314.349	0.495	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC001558731709	1159862208	/nfs/dbraw/zinc/86/22/08/1159862208.db2.gz	CDUFAKSNCBXMPN-JTQLQIEISA-N	-1	0	308.359	0.668	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)COCc1nc(CC)no1)C(=O)[O-]	ZINC001573307542	1163411773	/nfs/dbraw/zinc/41/17/73/1163411773.db2.gz	KKKUBVOQUPTXBX-MRVPVSSYSA-N	-1	0	317.729	0.861	20	30		DCEDRM
CC#CCCCC(=O)N1C[C@@H]2[C@@H](CNC(=O)CNC(=O)[O-])[C@@H]2C1	ZINC001573384278	1163420768	/nfs/dbraw/zinc/42/07/68/1163420768.db2.gz	GWPBLUJNDYTKBZ-XYYAHUGASA-N	-1	0	321.377	0.268	20	30		DCEDRM
C[C@@H](NC(=O)[C@H](C)Nc1cc(C#N)nc(C2CC2)n1)C(=O)[O-]	ZINC001573559704	1163496313	/nfs/dbraw/zinc/49/63/13/1163496313.db2.gz	GWCYUHZWAPLXDP-JGVFFNPUSA-N	-1	0	303.322	0.615	20	30		DCEDRM
C[C@@H](Nc1cc(C#N)nc(C2CC2)n1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001573559705	1163497260	/nfs/dbraw/zinc/49/72/60/1163497260.db2.gz	GWCYUHZWAPLXDP-SFYZADRCSA-N	-1	0	303.322	0.615	20	30		DCEDRM
CCn1cc(C(=O)[O-])c(NC(=O)CNc2ccc(C#N)cn2)n1	ZINC001573844226	1163565171	/nfs/dbraw/zinc/56/51/71/1163565171.db2.gz	CVTXEYKLYHYLRH-UHFFFAOYSA-N	-1	0	314.305	0.918	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)NC[C@H](C)CC(=O)[O-])CC1	ZINC001573916034	1163585150	/nfs/dbraw/zinc/58/51/50/1163585150.db2.gz	MMVPSOAIKOKZFB-SNVBAGLBSA-N	-1	0	311.338	0.586	20	30		DCEDRM
COCCn1cc(C#N)c(NC(=O)[C@@H]2C[C@H]2OC)c1C(=O)[O-]	ZINC001573984960	1163617616	/nfs/dbraw/zinc/61/76/16/1163617616.db2.gz	DMRFSOVWTDTNQP-NXEZZACHSA-N	-1	0	307.306	0.678	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO	ZINC001574113133	1163639719	/nfs/dbraw/zinc/63/97/19/1163639719.db2.gz	LSGSOFVATQUSHX-DGCLKSJQSA-N	-1	0	318.333	0.959	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)NCc2cc(C(=O)[O-])no2)cc1	ZINC001574244874	1163672151	/nfs/dbraw/zinc/67/21/51/1163672151.db2.gz	BANVRLIZPGEVLA-GFCCVEGCSA-N	-1	0	301.258	0.594	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)c1	ZINC001574249974	1163674548	/nfs/dbraw/zinc/67/45/48/1163674548.db2.gz	PKMNVCDGAJEWGN-UONOGXRCSA-N	-1	0	311.297	0.870	20	30		DCEDRM
CC(C)OC(=O)[C@H](C)N(C)c1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001574297283	1163687589	/nfs/dbraw/zinc/68/75/89/1163687589.db2.gz	RXZSIWGGIBHSKX-QMMMGPOBSA-N	-1	0	316.325	0.305	20	30		DCEDRM
CC1(C)OC[C@@H]2C[C@@]21C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001575751973	1164134816	/nfs/dbraw/zinc/13/48/16/1164134816.db2.gz	KQPKCNBUXRPSBH-IYQDAUBNSA-N	-1	0	314.309	0.215	20	30		DCEDRM
CCc1nnc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)s1	ZINC001578703369	1165087656	/nfs/dbraw/zinc/08/76/56/1165087656.db2.gz	JSLDBHNACDFKCJ-UHFFFAOYSA-N	-1	0	314.338	0.554	20	30		DCEDRM
CO[C@]1(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)CCSC1	ZINC001579602890	1165357922	/nfs/dbraw/zinc/35/79/22/1165357922.db2.gz	YHHBXKMSUZPVCW-LBPRGKRZSA-N	-1	0	318.366	0.462	20	30		DCEDRM
N#C[C@@H]1CNC[C@@H]1[N-]S(=O)(=O)c1occc1Br	ZINC001580044899	1165484581	/nfs/dbraw/zinc/48/45/81/1165484581.db2.gz	LVJCPJZEUGODKW-SVRRBLITSA-N	-1	0	320.168	0.432	20	30		DCEDRM
Cc1cc(-c2nn[nH]n2)cc(C)c1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001580617652	1165660398	/nfs/dbraw/zinc/66/03/98/1165660398.db2.gz	QUHKZSQBHTVVBH-UHFFFAOYSA-N	-1	0	323.316	0.254	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[nH]n3)c2)CCO1	ZINC001581857052	1165889604	/nfs/dbraw/zinc/88/96/04/1165889604.db2.gz	OASHBBOGUXTUAA-MELADBBJSA-N	-1	0	324.344	0.721	20	30		DCEDRM
N#Cc1ncc(N2CCNc3ccccc3C2)nc1-c1nnn[n-]1	ZINC001581882638	1165902296	/nfs/dbraw/zinc/90/22/96/1165902296.db2.gz	DZURRWIBCSSNDH-UHFFFAOYSA-N	-1	0	319.332	0.960	20	30		DCEDRM
N#Cc1ncc(NCc2nccnc2Cl)nc1-c1nnn[n-]1	ZINC001581884174	1165903621	/nfs/dbraw/zinc/90/36/21/1165903621.db2.gz	NUTDEBCNFPSHOT-UHFFFAOYSA-N	-1	0	314.700	0.584	20	30		DCEDRM
N#Cc1ncc(NCCCO[C@H]2CCOC2)nc1-c1nnn[n-]1	ZINC001581884247	1165904670	/nfs/dbraw/zinc/90/46/70/1165904670.db2.gz	QXKINHPKRYFJCQ-VIFPVBQESA-N	-1	0	316.325	0.136	20	30		DCEDRM
C#CCCCCC(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001581976409	1165929048	/nfs/dbraw/zinc/92/90/48/1165929048.db2.gz	GYUCGHQUGHAEIT-UHFFFAOYSA-N	-1	0	304.350	0.558	20	30		DCEDRM
C#C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)[C@H]1CCCO1	ZINC001588330232	1166526867	/nfs/dbraw/zinc/52/68/67/1166526867.db2.gz	XQAAPAXJKQVLIM-DGCLKSJQSA-N	-1	0	313.317	0.483	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001588333678	1166529918	/nfs/dbraw/zinc/52/99/18/1166529918.db2.gz	BEHVLSNOXXQZIA-JTQLQIEISA-N	-1	0	301.306	0.340	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001588334135	1166530752	/nfs/dbraw/zinc/53/07/52/1166530752.db2.gz	PARYEARHBJEVDT-SECBINFHSA-N	-1	0	316.321	0.044	20	30		DCEDRM
C#CCCCCCn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O	ZINC001588345958	1166535928	/nfs/dbraw/zinc/53/59/28/1166535928.db2.gz	RBWCPBJDEYHLDP-UHFFFAOYSA-N	-1	0	302.338	0.404	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2coc(CO)c2)n1CC=C	ZINC001588426587	1166553151	/nfs/dbraw/zinc/55/31/51/1166553151.db2.gz	PWEKHIAUQDODMK-UHFFFAOYSA-N	-1	0	316.317	0.741	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC001588505029	1166557437	/nfs/dbraw/zinc/55/74/37/1166557437.db2.gz	SONZINXYYBXDPD-OAHLLOKOSA-N	-1	0	304.302	0.752	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(-c2nn[nH]n2)nc1	ZINC001588726097	1166582658	/nfs/dbraw/zinc/58/26/58/1166582658.db2.gz	SPAGDCCTVOIDDK-AAEUAGOBSA-N	-1	0	314.349	0.512	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccnc(C(=O)OC)c1)C(=O)[O-]	ZINC001588861616	1166610665	/nfs/dbraw/zinc/61/06/65/1166610665.db2.gz	IQYRZQRZQCCXSY-LLVKDONJSA-N	-1	0	308.290	0.254	20	30		DCEDRM
C[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1csnn1	ZINC001589988191	1166738298	/nfs/dbraw/zinc/73/82/98/1166738298.db2.gz	WTKGFRSZKPHLQU-YFKPBYRVSA-N	-1	0	300.311	0.553	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001591367642	1167239850	/nfs/dbraw/zinc/23/98/50/1167239850.db2.gz	CRGUNWNSVLSBGV-ZDUSSCGKSA-N	-1	0	302.294	0.231	20	30		DCEDRM
COC[C@@H](C)NN=C1CCCc2c1c[nH]c(=O)c2-c1nnn[n-]1	ZINC001591375234	1167247316	/nfs/dbraw/zinc/24/73/16/1167247316.db2.gz	NFKLQXGHGYCEGI-MRVPVSSYSA-N	-1	0	317.353	0.632	20	30		DCEDRM
Cc1ccn(CN2CCC[C@@H](CC#N)C2)c(=O)c1-c1nnn[n-]1	ZINC001592268188	1167480585	/nfs/dbraw/zinc/48/05/85/1167480585.db2.gz	YDKDZKBLWZUZFG-LBPRGKRZSA-N	-1	0	313.365	0.920	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC[C@H]1COC(C)(C)O1	ZINC001592334959	1167491127	/nfs/dbraw/zinc/49/11/27/1167491127.db2.gz	JILDNNSHFDIYFJ-VIFPVBQESA-N	-1	0	303.326	0.785	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)N[C@@H](C)C(C)C	ZINC001592335089	1167491526	/nfs/dbraw/zinc/49/15/26/1167491526.db2.gz	KXBPDMUIFGUJDR-QMMMGPOBSA-N	-1	0	302.342	0.404	20	30		DCEDRM
N#Cc1ccccc1OCCOc1cnc(-c2nnn[n-]2)nc1	ZINC001592702001	1167604864	/nfs/dbraw/zinc/60/48/64/1167604864.db2.gz	SHKZHYGOZARAIQ-UHFFFAOYSA-N	-1	0	309.289	0.986	20	30		DCEDRM
N#Cc1ncc(NCc2ccn3ccnc3c2)nc1-c1nnn[n-]1	ZINC001592708896	1167610040	/nfs/dbraw/zinc/61/00/40/1167610040.db2.gz	YKXIUXGCRFTNIG-UHFFFAOYSA-N	-1	0	318.304	0.788	20	30		DCEDRM
COC(=O)CC[C@@H](C(=O)OC)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001598849460	1168046026	/nfs/dbraw/zinc/04/60/26/1168046026.db2.gz	XYZGSIRIZKUYSV-JTQLQIEISA-N	-1	0	312.322	0.172	20	30		DCEDRM
COC(=O)Cn1cc(C=NNc2ccc(CC(=O)[O-])cc2)nn1	ZINC001598876014	1168056669	/nfs/dbraw/zinc/05/66/69/1168056669.db2.gz	MEORYIDVDMFACR-UHFFFAOYSA-N	-1	0	317.305	0.524	20	30		DCEDRM
Cc1cc(C#N)ccc1Cn1cnc2c(cnn2CC(=O)[O-])c1=O	ZINC001600075370	1168112158	/nfs/dbraw/zinc/11/21/58/1168112158.db2.gz	UUPHDVQYNBVTMM-UHFFFAOYSA-N	-1	0	323.312	0.906	20	30		DCEDRM
Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1	ZINC001600076011	1168112686	/nfs/dbraw/zinc/11/26/86/1168112686.db2.gz	XEEOJNMLOZVOPN-CNVPUSNMSA-N	-1	0	315.333	0.437	20	30		DCEDRM
Cc1cc(Cn2c(=O)c(C#N)c(C)n(C)c2=O)oc1C(=O)[O-]	ZINC001600221751	1168140375	/nfs/dbraw/zinc/14/03/75/1168140375.db2.gz	INTRWZWXHJUIGX-UHFFFAOYSA-N	-1	0	303.274	0.375	20	30		DCEDRM
Cc1cc2ncc(C(=O)N(CC#N)CCC(=O)[O-])c(C)n2n1	ZINC001600310556	1168162672	/nfs/dbraw/zinc/16/26/72/1168162672.db2.gz	PLRPJYJMAOFWMX-UHFFFAOYSA-N	-1	0	301.306	0.787	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c1C(=O)[O-]	ZINC001600547981	1168198065	/nfs/dbraw/zinc/19/80/65/1168198065.db2.gz	IACZIOIYLKGBHV-AWEZNQCLSA-N	-1	0	324.358	0.996	20	30		DCEDRM
Cc1cccnc1NC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001600593096	1168204906	/nfs/dbraw/zinc/20/49/06/1168204906.db2.gz	SFYUZYDJKOYMRA-UHFFFAOYSA-N	-1	0	312.285	0.760	20	30		DCEDRM
Cn1ncc2c1nc(CN1CCC(C#N)(C(=O)[O-])CC1)[nH]c2=O	ZINC001601029549	1168571516	/nfs/dbraw/zinc/57/15/16/1168571516.db2.gz	HOBHXFJOMVRBJW-UHFFFAOYSA-N	-1	0	316.321	0.259	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)CCCCN2CCOCC2)CC1	ZINC001601049124	1168577593	/nfs/dbraw/zinc/57/75/93/1168577593.db2.gz	NDDQEXCMCOIWQZ-UHFFFAOYSA-N	-1	0	323.393	0.706	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)CC1	ZINC001601049722	1168577608	/nfs/dbraw/zinc/57/76/08/1168577608.db2.gz	UWBVEEXSCGWHGI-GHMZBOCLSA-N	-1	0	307.350	0.495	20	30		DCEDRM
N#C[C@@]1(C(=O)NCCC(=O)NCCC(=O)[O-])CC12CCCC2	ZINC001601050118	1168577708	/nfs/dbraw/zinc/57/77/08/1168577708.db2.gz	DCJNWNKRYJELCV-OAHLLOKOSA-N	-1	0	307.350	0.558	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2CCCc3nn[nH]c32)CC1	ZINC001601049449	1168577851	/nfs/dbraw/zinc/57/78/51/1168577851.db2.gz	RCJDOEIZGPJEMX-VIFPVBQESA-N	-1	0	303.322	0.442	20	30		DCEDRM
N#CC1(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CCCCC1	ZINC001601056406	1168578271	/nfs/dbraw/zinc/57/82/71/1168578271.db2.gz	IXFDEWMELGMGGT-GFCCVEGCSA-N	-1	0	321.377	0.900	20	30		DCEDRM
N#CC1(CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CCOCC1	ZINC001601053958	1168578337	/nfs/dbraw/zinc/57/83/37/1168578337.db2.gz	YJPWJOASJAHZSU-CYBMUJFWSA-N	-1	0	310.350	0.381	20	30		DCEDRM
N#C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cn2)CCN1C1CC1	ZINC001601060843	1168579017	/nfs/dbraw/zinc/57/90/17/1168579017.db2.gz	KKVWVKCZTMIPAR-LBPRGKRZSA-N	-1	0	315.333	0.984	20	30		DCEDRM
N#C[C@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCN1C1CC1	ZINC001601060627	1168579241	/nfs/dbraw/zinc/57/92/41/1168579241.db2.gz	FPVNYOCOFSACFV-FPMFFAJLSA-N	-1	0	321.377	0.455	20	30		DCEDRM
N#CC1CCC(CN2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CC1	ZINC001601057901	1168579391	/nfs/dbraw/zinc/57/93/91/1168579391.db2.gz	FNXZVCHEJOJVGV-IVVCIIHESA-N	-1	0	305.334	0.957	20	30		DCEDRM
N#CCCN(Cc1ccccn1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001601067891	1168580221	/nfs/dbraw/zinc/58/02/21/1168580221.db2.gz	RWOXYCVKBGMLTJ-OLZOCXBDSA-N	-1	0	303.318	0.956	20	30		DCEDRM
N#CCCN1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC1	ZINC001601067824	1168580265	/nfs/dbraw/zinc/58/02/65/1168580265.db2.gz	OJDUXETYWWUIFK-UHFFFAOYSA-N	-1	0	316.361	0.855	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC[C@H](Nc2cnccn2)CC1	ZINC001601069122	1168580344	/nfs/dbraw/zinc/58/03/44/1168580344.db2.gz	IZOVCYHJTDAYSO-HAQNSBGRSA-N	-1	0	317.349	0.884	20	30		DCEDRM
N#CCCN1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)CC1	ZINC001601067863	1168580642	/nfs/dbraw/zinc/58/06/42/1168580642.db2.gz	QYMTZMJHVQWXRS-UHFFFAOYSA-N	-1	0	317.349	0.250	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1	ZINC001601070109	1168580920	/nfs/dbraw/zinc/58/09/20/1168580920.db2.gz	UUSRNWUJPGIZDA-JTQLQIEISA-N	-1	0	319.292	0.615	20	30		DCEDRM
N#CCN(CC(=O)[O-])[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC001601071612	1168581054	/nfs/dbraw/zinc/58/10/54/1168581054.db2.gz	ZWBIVMCFLALXTK-CQSZACIVSA-N	-1	0	312.329	0.964	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)Cn1cnc(-c2ccccc2)n1	ZINC001601070862	1168581234	/nfs/dbraw/zinc/58/12/34/1168581234.db2.gz	XWLHTSPBOBZARZ-UHFFFAOYSA-N	-1	0	313.317	0.772	20	30		DCEDRM
N#CCOc1cc(F)ccc1NC(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC001601073832	1168581547	/nfs/dbraw/zinc/58/15/47/1168581547.db2.gz	OWVOPUUWZGTATA-CQSZACIVSA-N	-1	0	323.280	0.781	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)CCC[C@@H]1CCOC1	ZINC001601072824	1168581916	/nfs/dbraw/zinc/58/19/16/1168581916.db2.gz	OBPLXSHQTSJPHJ-LLVKDONJSA-N	-1	0	304.368	0.433	20	30		DCEDRM
N#CCN1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1	ZINC001601074780	1168582138	/nfs/dbraw/zinc/58/21/38/1168582138.db2.gz	QJRKNUNYAHXKEG-UHFFFAOYSA-N	-1	0	309.347	0.215	20	30		DCEDRM
N#CCn1c(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc2ccccc21	ZINC001601078929	1168583058	/nfs/dbraw/zinc/58/30/58/1168583058.db2.gz	JOFGZWZMVVAYIL-BXUZGUMPSA-N	-1	0	313.313	0.825	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])ccc1Cl	ZINC001601085558	1168583507	/nfs/dbraw/zinc/58/35/07/1168583507.db2.gz	CHGNZJKGUSJSIK-NSHDSACASA-N	-1	0	319.708	0.686	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1	ZINC001601084571	1168583526	/nfs/dbraw/zinc/58/35/26/1168583526.db2.gz	XKHSJESYBSRLFD-SNVBAGLBSA-N	-1	0	314.305	0.653	20	30		DCEDRM
N#Cc1cc(F)cc(C2(C(=O)NC[C@H](O)CC(=O)[O-])CC2)c1	ZINC001601089130	1168583549	/nfs/dbraw/zinc/58/35/49/1168583549.db2.gz	GTYYYDCNZQBDED-GFCCVEGCSA-N	-1	0	306.293	0.681	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1	ZINC001601098837	1168584522	/nfs/dbraw/zinc/58/45/22/1168584522.db2.gz	YTCDIOWTURIWKI-HNNXBMFYSA-N	-1	0	302.330	0.785	20	30		DCEDRM
N#Cc1ccc(CCNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1	ZINC001601097415	1168584614	/nfs/dbraw/zinc/58/46/14/1168584614.db2.gz	DZFAIYZFOIGTQW-ZIAGYGMSSA-N	-1	0	317.345	0.578	20	30		DCEDRM
N#Cc1ccc(F)cc1CNCCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001601105676	1168585450	/nfs/dbraw/zinc/58/54/50/1168585450.db2.gz	CYPLWOOWJCQHNX-QWHCGFSZSA-N	-1	0	305.309	0.624	20	30		DCEDRM
N#Cc1ccc(CN2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)cc1F	ZINC001601100348	1168585525	/nfs/dbraw/zinc/58/55/25/1168585525.db2.gz	JACBYPWKKJMKTJ-FOGDFJRCSA-N	-1	0	317.276	0.838	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)c2cccnc2C(=O)[O-])nc1	ZINC001601101524	1168585670	/nfs/dbraw/zinc/58/56/70/1168585670.db2.gz	CJPMDUFBNNEYBN-UHFFFAOYSA-N	-1	0	318.314	0.525	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NC2(CC(=O)[O-])CCOCC2)nc1	ZINC001601108820	1168586280	/nfs/dbraw/zinc/58/62/80/1168586280.db2.gz	WDDFACODDLBSHH-UHFFFAOYSA-N	-1	0	318.333	0.505	20	30		DCEDRM
N#Cc1ccc(NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)nc1	ZINC001601107203	1168586468	/nfs/dbraw/zinc/58/64/68/1168586468.db2.gz	GYFSECHZCHNIOL-XHDPSFHLSA-N	-1	0	316.317	0.908	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC001601108872	1168586508	/nfs/dbraw/zinc/58/65/08/1168586508.db2.gz	XQFQXRNBNNSZFM-BXUZGUMPSA-N	-1	0	303.318	0.576	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N(C2CC2)C2COC2)c(C(=O)[O-])c1	ZINC001601110573	1168586635	/nfs/dbraw/zinc/58/66/35/1168586635.db2.gz	FHWJBHMMVHKRST-UHFFFAOYSA-N	-1	0	322.342	0.808	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)CN2CCOCC2=O)C(=O)[O-])c1	ZINC001601117071	1168587267	/nfs/dbraw/zinc/58/72/67/1168587267.db2.gz	BRYWAWKAIMJPTN-CQSZACIVSA-N	-1	0	318.285	0.086	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)n1	ZINC001601114848	1168587651	/nfs/dbraw/zinc/58/76/51/1168587651.db2.gz	HNBSMIWYTWPLSZ-CQSZACIVSA-N	-1	0	300.274	0.399	20	30		DCEDRM
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CC(O)(C(=O)[O-])C1	ZINC001601114964	1168587680	/nfs/dbraw/zinc/58/76/80/1168587680.db2.gz	ZYLQWDQCDCRVAV-GFCCVEGCSA-N	-1	0	301.302	0.386	20	30		DCEDRM
N#Cc1cccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1	ZINC001601120901	1168587742	/nfs/dbraw/zinc/58/77/42/1168587742.db2.gz	RRRAHXNJHUJCBL-JTQLQIEISA-N	-1	0	302.290	0.215	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1	ZINC001601124619	1168588690	/nfs/dbraw/zinc/58/86/90/1168588690.db2.gz	OROVFHQYYSFWGX-XJFOESAGSA-N	-1	0	300.314	0.708	20	30		DCEDRM
N#Cc1cccnc1N1CCN(Cc2cnc(C(=O)[O-])cn2)CC1	ZINC001601128040	1168589859	/nfs/dbraw/zinc/58/98/59/1168589859.db2.gz	FSSUURQKYMQEFS-UHFFFAOYSA-N	-1	0	324.344	0.764	20	30		DCEDRM
N#Cc1cnc(N2CCC([C@@H](O)C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC001601130544	1168590736	/nfs/dbraw/zinc/59/07/36/1168590736.db2.gz	QNAUHZAOMHRYCT-LLVKDONJSA-N	-1	0	306.278	0.523	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NCC12COCCN1CCOC2	ZINC001601133658	1168593200	/nfs/dbraw/zinc/59/32/00/1168593200.db2.gz	WKDVLPAGMBDBDQ-UHFFFAOYSA-N	-1	0	318.333	0.165	20	30		DCEDRM
N#Cc1cnccc1NC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001601131947	1168593302	/nfs/dbraw/zinc/59/33/02/1168593302.db2.gz	YOEIHSONHYVART-CHWSQXEVSA-N	-1	0	314.345	0.499	20	30		DCEDRM
O=C([O-])c1ncoc1CNC(=O)c1cccc(C#CCO)c1	ZINC001601552227	1168781471	/nfs/dbraw/zinc/78/14/71/1168781471.db2.gz	LYAHTVVHACIIEZ-UHFFFAOYSA-N	-1	0	300.270	0.647	20	30		DCEDRM
O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1cccc(C#CCO)c1	ZINC001601757951	1168854630	/nfs/dbraw/zinc/85/46/30/1168854630.db2.gz	KIWXNDKYBGMVCN-ZIAGYGMSSA-N	-1	0	303.314	0.081	20	30		DCEDRM
O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)C#CC2CC2)CC1	ZINC001601779151	1168883616	/nfs/dbraw/zinc/88/36/16/1168883616.db2.gz	OMVHTZIFSURKIF-CHWSQXEVSA-N	-1	0	304.346	0.181	20	30		DCEDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CC#Cc1ccccc1	ZINC001601853722	1168916313	/nfs/dbraw/zinc/91/63/13/1168916313.db2.gz	LRFVNXLEXOVNIC-ZDUSSCGKSA-N	-1	0	321.354	0.138	20	30		DCEDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CC#Cc1ccccc1	ZINC001601853721	1168916549	/nfs/dbraw/zinc/91/65/49/1168916549.db2.gz	LRFVNXLEXOVNIC-CYBMUJFWSA-N	-1	0	321.354	0.138	20	30		DCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC001602670074	1169155953	/nfs/dbraw/zinc/15/59/53/1169155953.db2.gz	MOWZSGHMLAVFIY-QMMMGPOBSA-N	-1	0	320.301	0.478	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)[C@H]1CCCO1	ZINC001602678712	1169157410	/nfs/dbraw/zinc/15/74/10/1169157410.db2.gz	PDABWBYWSCWNRV-WDEREUQCSA-N	-1	0	301.364	0.342	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1ccccc1C(=O)[O-])[C@H]1CCCO1	ZINC001602678416	1169157442	/nfs/dbraw/zinc/15/74/42/1169157442.db2.gz	MWOYWESBWJPAOF-NWDGAFQWSA-N	-1	0	309.343	0.844	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)[O-]	ZINC001602691982	1169162220	/nfs/dbraw/zinc/16/22/20/1169162220.db2.gz	GDSIFKCHZZNFLT-LLVKDONJSA-N	-1	0	305.290	0.867	20	30		DCEDRM
C#CCC(C)(C)COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001602696889	1169162708	/nfs/dbraw/zinc/16/27/08/1169162708.db2.gz	OWAKIYIQYLHZIW-VIFPVBQESA-N	-1	0	303.326	0.612	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc(COCC)c1)C(=O)[O-]	ZINC001602698596	1169164195	/nfs/dbraw/zinc/16/41/95/1169164195.db2.gz	MTCQQXVQNGEYJM-ZDUSSCGKSA-N	-1	0	311.359	0.978	20	30		DCEDRM
C#CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CCN(C(=O)CC)CC1	ZINC001602711361	1169165646	/nfs/dbraw/zinc/16/56/46/1169165646.db2.gz	FLSISCVPLPXAGL-OLZOCXBDSA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#CCCCS(=O)(=O)Oc1ccc(F)nc1-c1nnn[n-]1	ZINC001602711292	1169166004	/nfs/dbraw/zinc/16/60/04/1169166004.db2.gz	PTXAKBASJYUEFP-UHFFFAOYSA-N	-1	0	311.298	0.523	20	30		DCEDRM
C#CCCCC(=O)O[C@H]1C[C@@H](C(=O)[O-])N(c2cnccn2)C1	ZINC001602702561	1169166775	/nfs/dbraw/zinc/16/67/75/1169166775.db2.gz	GLIVBHMLVALWSR-RYUDHWBXSA-N	-1	0	303.318	0.855	20	30		DCEDRM
C#CCN(C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(=O)NC	ZINC001602713447	1169168785	/nfs/dbraw/zinc/16/87/85/1169168785.db2.gz	CVQFQYKPHLBMFA-UHFFFAOYSA-N	-1	0	319.317	0.607	20	30		DCEDRM
C#CCN1CCN(C(=O)CNc2cc(C)cc(C(=O)[O-])c2)CC1	ZINC001602720268	1169170831	/nfs/dbraw/zinc/17/08/31/1169170831.db2.gz	ONVGJNLIAXGPQU-UHFFFAOYSA-N	-1	0	315.373	0.883	20	30		DCEDRM
C#CCOCCNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001602728164	1169174061	/nfs/dbraw/zinc/17/40/61/1169174061.db2.gz	KYWQRJMZRHUFRO-SNVBAGLBSA-N	-1	0	306.322	0.365	20	30		DCEDRM
C#CCOCCC(=O)NC[C@H](C)N(C)c1ccnc(C(=O)[O-])n1	ZINC001602727666	1169175320	/nfs/dbraw/zinc/17/53/20/1169175320.db2.gz	CWHVIVMFCHKITH-NSHDSACASA-N	-1	0	320.349	0.156	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001602747315	1169178013	/nfs/dbraw/zinc/17/80/13/1169178013.db2.gz	NYJLKRPYJSFZTD-QNWHQSFQSA-N	-1	0	312.366	0.851	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O	ZINC001602782525	1169182828	/nfs/dbraw/zinc/18/28/28/1169182828.db2.gz	NLRSJTPPRSDAIZ-WDEREUQCSA-N	-1	0	318.395	0.242	20	30		DCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001602791152	1169184101	/nfs/dbraw/zinc/18/41/01/1169184101.db2.gz	ALJYRYKBYRPVKB-FIQHERPVSA-N	-1	0	309.366	0.857	20	30		DCEDRM
C=CC1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)CC1	ZINC001602807105	1169186200	/nfs/dbraw/zinc/18/62/00/1169186200.db2.gz	HBHJFENJMSDXTP-UHFFFAOYSA-N	-1	0	320.378	0.848	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001602833973	1169190040	/nfs/dbraw/zinc/19/00/40/1169190040.db2.gz	YLVTVUJQKCHTIX-VIFPVBQESA-N	-1	0	318.337	0.333	20	30		DCEDRM
C=CCN(CCC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001602852473	1169192134	/nfs/dbraw/zinc/19/21/34/1169192134.db2.gz	QTVPPPWTFPBVMJ-UHFFFAOYSA-N	-1	0	308.323	0.550	20	30		DCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C1	ZINC001602855382	1169192318	/nfs/dbraw/zinc/19/23/18/1169192318.db2.gz	OUESNXXLEMNKAK-AVGNSLFASA-N	-1	0	324.377	0.502	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC001602843273	1169192967	/nfs/dbraw/zinc/19/29/67/1169192967.db2.gz	YODZFRPTIVKNDA-LLVKDONJSA-N	-1	0	320.345	0.993	20	30		DCEDRM
C=CCCC(=O)N1CCC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001602855902	1169193977	/nfs/dbraw/zinc/19/39/77/1169193977.db2.gz	IHUTUEYBTVBNFT-RYUDHWBXSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])CCO2	ZINC001602856090	1169194225	/nfs/dbraw/zinc/19/42/25/1169194225.db2.gz	SXWAVGVKSKGIAV-VXGBXAGGSA-N	-1	0	322.361	0.113	20	30		DCEDRM
C=CCCNC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001602880649	1169197958	/nfs/dbraw/zinc/19/79/58/1169197958.db2.gz	WOKYHTNAEILQAF-UHFFFAOYSA-N	-1	0	306.274	0.744	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1	ZINC001602887115	1169198471	/nfs/dbraw/zinc/19/84/71/1169198471.db2.gz	HMTFSEQMJXHLKF-UHFFFAOYSA-N	-1	0	316.317	0.704	20	30		DCEDRM
C=CCOC[C@H](NC(=O)/C=C/c1cnc(OC)nc1)C(=O)[O-]	ZINC001602910360	1169202683	/nfs/dbraw/zinc/20/26/83/1169202683.db2.gz	XAHGBXSYHDAQHR-ZWNMCFTASA-N	-1	0	307.306	0.270	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc2c1oc(=O)n2C)C(=O)[O-]	ZINC001602913137	1169203438	/nfs/dbraw/zinc/20/34/38/1169203438.db2.gz	JNVQOCCSMYGLGC-JTQLQIEISA-N	-1	0	320.301	0.517	20	30		DCEDRM
C=CCn1c(-c2nc(CC)no2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602931583	1169210944	/nfs/dbraw/zinc/21/09/44/1169210944.db2.gz	ZCUQNIFWLKJMBK-VIFPVBQESA-N	-1	0	318.337	0.987	20	30		DCEDRM
CC(=O)N[C@@H](C[S@@](=O)Cc1ccc(C)c(C#N)c1)C(=O)[O-]	ZINC001603055390	1169240558	/nfs/dbraw/zinc/24/05/58/1169240558.db2.gz	NCOCKRRVKRXFDO-ZSEKCTLFSA-N	-1	0	308.359	0.705	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C(=O)[O-])n1	ZINC001603130569	1169249939	/nfs/dbraw/zinc/24/99/39/1169249939.db2.gz	YMTFTJDFAHLLHS-VLEAKVRGSA-N	-1	0	315.333	0.560	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001603130294	1169250854	/nfs/dbraw/zinc/25/08/54/1169250854.db2.gz	UTRYRAVQVPIYRU-GARJFASQSA-N	-1	0	317.349	0.453	20	30		DCEDRM
CC(C)(C)c1noc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)n1	ZINC001603128095	1169250868	/nfs/dbraw/zinc/25/08/68/1169250868.db2.gz	GPJHTVFSJPPJEW-UHFFFAOYSA-N	-1	0	314.313	0.246	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@@](C)(CNc2ccnc(C(=O)[O-])n2)C1	ZINC001603129375	1169251172	/nfs/dbraw/zinc/25/11/72/1169251172.db2.gz	DZQFNLGRECVGAE-BMIGLBTASA-N	-1	0	317.349	0.407	20	30		DCEDRM
C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1)n1cnc(C#N)n1	ZINC001603154098	1169256458	/nfs/dbraw/zinc/25/64/58/1169256458.db2.gz	XSGRJPAFLXPGJF-PRHODGIISA-N	-1	0	315.289	0.358	20	30		DCEDRM
C[C@H](C(=O)N[C@@H](CC1CCOCC1)C(=O)[O-])n1cnc(C#N)n1	ZINC001603155542	1169258903	/nfs/dbraw/zinc/25/89/03/1169258903.db2.gz	PXOVULXYJGMNEL-KOLCDFICSA-N	-1	0	321.337	0.097	20	30		DCEDRM
C[C@@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)n1cnc(C#N)n1	ZINC001603166396	1169263580	/nfs/dbraw/zinc/26/35/80/1169263580.db2.gz	NXFLVOXTFNOTJX-JTQLQIEISA-N	-1	0	313.317	0.768	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC001603230650	1169277865	/nfs/dbraw/zinc/27/78/65/1169277865.db2.gz	SLGHGTGFKUFNJU-SECBINFHSA-N	-1	0	306.409	0.758	20	30		DCEDRM
C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1	ZINC001603442163	1169306684	/nfs/dbraw/zinc/30/66/84/1169306684.db2.gz	IURVLCPCQIMURG-ZETCQYMHSA-N	-1	0	317.284	0.363	20	30		DCEDRM
CC(C)C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C[C@H](C)C#N	ZINC001603832411	1169405189	/nfs/dbraw/zinc/40/51/89/1169405189.db2.gz	YEMLJLWEDSTGBL-MNOVXSKESA-N	-1	0	305.400	0.754	20	30		DCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)CC1(C#N)CC1	ZINC001603917789	1169434696	/nfs/dbraw/zinc/43/46/96/1169434696.db2.gz	OVRYCYFRQUNTGE-SNVBAGLBSA-N	-1	0	304.368	0.430	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2	ZINC001604060938	1169485085	/nfs/dbraw/zinc/48/50/85/1169485085.db2.gz	QMNCXMFPVZPESK-GRZMOONWSA-N	-1	0	301.368	0.547	20	30		DCEDRM
C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)NCC(=O)[O-]	ZINC001604402806	1169582480	/nfs/dbraw/zinc/58/24/80/1169582480.db2.gz	WYLPSEWINKPDAT-SECBINFHSA-N	-1	0	306.274	0.070	20	30		DCEDRM
C[C@@H](Oc1ccccc1C=NNCCS(C)(=O)=O)C(=O)[O-]	ZINC001604442628	1169594406	/nfs/dbraw/zinc/59/44/06/1169594406.db2.gz	FHKAGYFHNGNFLV-SNVBAGLBSA-N	-1	0	314.363	0.507	20	30		DCEDRM
C[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001604696698	1169659058	/nfs/dbraw/zinc/65/90/58/1169659058.db2.gz	CGLLUBDUYANJFB-NEPJUHHUSA-N	-1	0	321.377	0.850	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)CC(C)(C)C(=O)[O-])C[C@@H](C)N1CC#N	ZINC001604803491	1169691246	/nfs/dbraw/zinc/69/12/46/1169691246.db2.gz	SKXDEWNDRIAQTL-GHMZBOCLSA-N	-1	0	317.411	0.345	20	30		DCEDRM
CC[C@](COC)(NC(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001605051758	1169796196	/nfs/dbraw/zinc/79/61/96/1169796196.db2.gz	ALJDLRGIFQCDOK-MRXNPFEDSA-N	-1	0	305.330	0.640	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@@H](C#N)C(C)C	ZINC001605510664	1169943610	/nfs/dbraw/zinc/94/36/10/1169943610.db2.gz	VPJOOBOKOVYETJ-VIFPVBQESA-N	-1	0	301.310	0.554	20	30		DCEDRM
Cc1nc(C#N)c(-c2nn[nH]n2)n1Cc1nccn1CC(F)F	ZINC001606023851	1170055368	/nfs/dbraw/zinc/05/53/68/1170055368.db2.gz	KMEWVQVLMNDYOP-UHFFFAOYSA-N	-1	0	319.279	0.753	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c1	ZINC001606043964	1170064312	/nfs/dbraw/zinc/06/43/12/1170064312.db2.gz	VBUFVGQACJXFJS-HNNXBMFYSA-N	-1	0	303.318	0.598	20	30		DCEDRM
CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC001606072073	1170069540	/nfs/dbraw/zinc/06/95/40/1170069540.db2.gz	HBHYHNOLJJOJCZ-LLVKDONJSA-N	-1	0	316.360	0.749	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)Oc2cccnc2-c2nnn[n-]2)o1	ZINC001606379127	1170175321	/nfs/dbraw/zinc/17/53/21/1170175321.db2.gz	BXNFSGXKLKXANN-UHFFFAOYSA-N	-1	0	318.274	0.494	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@H](Nc1ccnc(-c3nnn[n-]3)n1)C2	ZINC001606381181	1170175769	/nfs/dbraw/zinc/17/57/69/1170175769.db2.gz	JCBZOVSEWCXNST-GFCCVEGCSA-N	-1	0	304.317	0.530	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2sccc2CC#N)C[C@@H]1C(=O)[O-]	ZINC001606427638	1170197027	/nfs/dbraw/zinc/19/70/27/1170197027.db2.gz	YRHLSCRRNXQWNJ-UWVGGRQHSA-N	-1	0	322.342	0.760	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2sccc2CC#N)C[C@H]1C(=O)[O-]	ZINC001606427640	1170197708	/nfs/dbraw/zinc/19/77/08/1170197708.db2.gz	YRHLSCRRNXQWNJ-ZJUUUORDSA-N	-1	0	322.342	0.760	20	30		DCEDRM
COC(=O)c1cc(C)nc(N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001606540020	1170230613	/nfs/dbraw/zinc/23/06/13/1170230613.db2.gz	KKNNZUGYYLNUSU-UHFFFAOYSA-N	-1	0	304.306	0.766	20	30		DCEDRM
COC(=O)c1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)o1	ZINC001606572213	1170236568	/nfs/dbraw/zinc/23/65/68/1170236568.db2.gz	KLQVXRUHXREHTB-UHFFFAOYSA-N	-1	0	306.274	0.897	20	30		DCEDRM
COC1(OC)CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H]1O	ZINC001606723465	1170273229	/nfs/dbraw/zinc/27/32/29/1170273229.db2.gz	QEDXBFBEQUAIFW-KGLIPLIRSA-N	-1	0	320.345	0.740	20	30		DCEDRM
COc1cc(CNCc2cn(CC(=O)[O-])nn2)ccc1C#N	ZINC001607164593	1170411948	/nfs/dbraw/zinc/41/19/48/1170411948.db2.gz	ZALGTVQZOWPYKQ-UHFFFAOYSA-N	-1	0	301.306	0.533	20	30		DCEDRM
COc1ccc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1C#N	ZINC001607273142	1170421029	/nfs/dbraw/zinc/42/10/29/1170421029.db2.gz	GXXWNHIHXIXYCN-CQSZACIVSA-N	-1	0	305.290	0.620	20	30		DCEDRM
C[C@@H]1CN(C(=O)Nc2ccn(CCC#N)n2)C[C@@H](C(=O)[O-])O1	ZINC001607434291	1170451872	/nfs/dbraw/zinc/45/18/72/1170451872.db2.gz	HAMXCKIXBGNRGI-ZJUUUORDSA-N	-1	0	307.310	0.503	20	30		DCEDRM
Cc1[nH]c(C(=O)N2CCN(C(=O)CC#N)CC2)c(C)c1C(=O)[O-]	ZINC001607488532	1170465959	/nfs/dbraw/zinc/46/59/59/1170465959.db2.gz	GXVUVNQAJIORRH-UHFFFAOYSA-N	-1	0	318.333	0.528	20	30		DCEDRM
Cc1cc(C#N)nc(N(C)CCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1	ZINC001607565770	1170477275	/nfs/dbraw/zinc/47/72/75/1170477275.db2.gz	GURHFJFTFMIEQN-NEPJUHHUSA-N	-1	0	317.349	0.320	20	30		DCEDRM
Cc1ncc([N+](=O)[O-])n1CCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001607987225	1170540036	/nfs/dbraw/zinc/54/00/36/1170540036.db2.gz	FRPJPVOFOFFFLK-UHFFFAOYSA-N	-1	0	317.261	0.532	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](O)CC(=O)[O-]	ZINC001608006258	1170546658	/nfs/dbraw/zinc/54/66/58/1170546658.db2.gz	RHWZIRNSOOKOGI-LBPRGKRZSA-N	-1	0	322.365	0.298	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)OCCc1cn(CC(=O)[O-])nn1	ZINC001608032149	1170554879	/nfs/dbraw/zinc/55/48/79/1170554879.db2.gz	MQUOCOQDQZPUHZ-UHFFFAOYSA-N	-1	0	304.262	0.535	20	30		DCEDRM
Cn1c(CC(C)(C)C#N)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001608087519	1170566477	/nfs/dbraw/zinc/56/64/77/1170566477.db2.gz	NYDNUZSIFTYYSP-JTQLQIEISA-N	-1	0	307.354	0.587	20	30		DCEDRM
Cn1c(C(=O)[O-])ccc1C(=O)OCCOC1(C#N)CCOCC1	ZINC001608084376	1170566639	/nfs/dbraw/zinc/56/66/39/1170566639.db2.gz	PKRPCDZZHDQBPD-UHFFFAOYSA-N	-1	0	322.317	0.969	20	30		DCEDRM
Cn1c(CC#N)nn(CN(CC(=O)[O-])CC(F)(F)F)c1=S	ZINC001608087690	1170566680	/nfs/dbraw/zinc/56/66/80/1170566680.db2.gz	QPTNCSFDZLPZBA-UHFFFAOYSA-N	-1	0	323.300	0.924	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CCCC1	ZINC001608175917	1170609482	/nfs/dbraw/zinc/60/94/82/1170609482.db2.gz	QKGPYBNRSIIAHZ-MNOVXSKESA-N	-1	0	316.379	0.168	20	30		DCEDRM
N#CC[C@H](N1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O)C(F)(F)F	ZINC001608178990	1170610722	/nfs/dbraw/zinc/61/07/22/1170610722.db2.gz	UIHYDDHJRXUMFA-JWXFUTCRSA-N	-1	0	305.212	0.472	20	30		DCEDRM
N#CCCn1ccc(NC(=O)NCc2nc(C(=O)[O-])co2)n1	ZINC001608184391	1170611800	/nfs/dbraw/zinc/61/18/00/1170611800.db2.gz	XMEILDXMTTYZRI-UHFFFAOYSA-N	-1	0	304.266	0.805	20	30		DCEDRM
N#CCN1CCN(S(=O)(=O)c2ccsc2C(=O)[O-])CC1	ZINC001608187833	1170612743	/nfs/dbraw/zinc/61/27/43/1170612743.db2.gz	GGBURSQXTKZTDN-UHFFFAOYSA-N	-1	0	315.376	0.276	20	30		DCEDRM
N#CCN(CCC(=O)[O-])CC(=O)NCc1cccc(C#N)c1	ZINC001608186521	1170612865	/nfs/dbraw/zinc/61/28/65/1170612865.db2.gz	ONOGAJYCYMNGBJ-UHFFFAOYSA-N	-1	0	300.318	0.475	20	30		DCEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@H](CC(N)=O)C2)cc1	ZINC001608199699	1170613712	/nfs/dbraw/zinc/61/37/12/1170613712.db2.gz	NUXPDNAJFFJLJM-TZMCWYRMSA-N	-1	0	303.318	0.260	20	30		DCEDRM
N#Cc1cc(F)cc(C2(C(=O)N3CC(O)(C(=O)[O-])C3)CC2)c1	ZINC001608197337	1170613957	/nfs/dbraw/zinc/61/39/57/1170613957.db2.gz	YVTGNOQNXAZLJW-UHFFFAOYSA-N	-1	0	304.277	0.387	20	30		DCEDRM
N#Cc1c(COC(=O)CNC(=O)C2CC2)cccc1C(=O)[O-]	ZINC001608190998	1170614029	/nfs/dbraw/zinc/61/40/29/1170614029.db2.gz	MSCYJGKZNUIHPE-UHFFFAOYSA-N	-1	0	302.286	0.826	20	30		DCEDRM
N#Cc1ccc(N(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C2CC2)cn1	ZINC001608208061	1170615630	/nfs/dbraw/zinc/61/56/30/1170615630.db2.gz	ZYBBYCAMXCHRCE-ZIAGYGMSSA-N	-1	0	314.345	0.759	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)C2(C(N)=O)CCC2)C(=O)[O-])c1	ZINC001608216560	1170617216	/nfs/dbraw/zinc/61/72/16/1170617216.db2.gz	NAEBVASPKFRTAW-LLVKDONJSA-N	-1	0	302.286	0.883	20	30		DCEDRM
N#Cc1ccncc1N1CCN(c2nccnc2C(=O)[O-])CC1	ZINC001608221316	1170618045	/nfs/dbraw/zinc/61/80/45/1170618045.db2.gz	XBYJBXIUOHBDNO-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1cnnc(N2CCC(O)(C3(C(=O)[O-])CCC3)CC2)c1	ZINC001608222149	1170618060	/nfs/dbraw/zinc/61/80/60/1170618060.db2.gz	MQULIXZNJFSOSY-UHFFFAOYSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1cccnc1N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001608221147	1170618377	/nfs/dbraw/zinc/61/83/77/1170618377.db2.gz	COWICMKWDKPYAN-RYDUCSDGSA-N	-1	0	314.345	0.981	20	30		DCEDRM
N#Cc1ccsc1NC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001608222464	1170618391	/nfs/dbraw/zinc/61/83/91/1170618391.db2.gz	DQDMURXRCMHLRD-VIFPVBQESA-N	-1	0	305.315	0.848	20	30		DCEDRM
N#Cc1cnccc1N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001608222519	1170618427	/nfs/dbraw/zinc/61/84/27/1170618427.db2.gz	TUEQZYZBMIHERI-JHEVNIALSA-N	-1	0	314.345	0.403	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)NCC1(C(=O)[O-])CC1	ZINC001608221858	1170618542	/nfs/dbraw/zinc/61/85/42/1170618542.db2.gz	WFEUBGHEVLCVHS-UHFFFAOYSA-N	-1	0	303.322	0.529	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001608221845	1170618794	/nfs/dbraw/zinc/61/87/94/1170618794.db2.gz	VEGDLINIPDKQHQ-UHFFFAOYSA-N	-1	0	300.318	0.736	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)c1	ZINC001608222235	1170618839	/nfs/dbraw/zinc/61/88/39/1170618839.db2.gz	BYUPYNGDVRDNRY-IUCAKERBSA-N	-1	0	317.273	0.197	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NCC1CCS(=O)(=O)CC1	ZINC001608223906	1170619667	/nfs/dbraw/zinc/61/96/67/1170619667.db2.gz	GZGSQPLTJUFQGS-UHFFFAOYSA-N	-1	0	309.347	0.888	20	30		DCEDRM
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001608310604	1170647201	/nfs/dbraw/zinc/64/72/01/1170647201.db2.gz	OIPGLYBPVKXVCI-WIHULJDFSA-N	-1	0	321.333	0.272	20	30		DCEDRM
O=C([O-])c1coc(C(=O)N=C2NS(=O)(=O)c3ccccc32)c1	ZINC001608986700	1170781288	/nfs/dbraw/zinc/78/12/88/1170781288.db2.gz	OHJXZQVUZYHTBL-UHFFFAOYSA-N	-1	0	320.282	0.857	20	30		DCEDRM
C#C[C@H](CC)NS(=O)(=O)c1cnc(C)c(-c2nn[nH]n2)c1	ZINC001609019097	1170785701	/nfs/dbraw/zinc/78/57/01/1170785701.db2.gz	NAQCNBDLYGZTDL-SECBINFHSA-N	-1	0	306.351	0.260	20	30		DCEDRM
C#CCN(Cc1ccccc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC001609021204	1170786885	/nfs/dbraw/zinc/78/68/85/1170786885.db2.gz	JKWUWPNOKLXJNB-UHFFFAOYSA-N	-1	0	322.332	0.120	20	30		DCEDRM
C[C@@H](C(=O)N(C)c1cccc(C#N)c1)n1cnc(-c2nnn[n-]2)n1	ZINC001609067685	1170798012	/nfs/dbraw/zinc/79/80/12/1170798012.db2.gz	CDDKPJLWFFVZDP-VIFPVBQESA-N	-1	0	323.320	0.554	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001609105114	1170810221	/nfs/dbraw/zinc/81/02/21/1170810221.db2.gz	KEQFADWMOCPFLX-GFCCVEGCSA-N	-1	0	304.302	0.214	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001609221845	1170880364	/nfs/dbraw/zinc/88/03/64/1170880364.db2.gz	ZDOOFHZIDBDBAO-SECBINFHSA-N	-1	0	321.366	0.432	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC001609257443	1170900741	/nfs/dbraw/zinc/90/07/41/1170900741.db2.gz	DZVWGUWLGYIAFB-NXEZZACHSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=C(CO)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1	ZINC001609259567	1170901348	/nfs/dbraw/zinc/90/13/48/1170901348.db2.gz	ZJJSDZBUAKUSMY-LLVKDONJSA-N	-1	0	309.318	0.884	20	30		DCEDRM
CO[C@H](C)c1noc(Cn2cnc(-c3nnn[n-]3)c2C#N)n1	ZINC001609309708	1170927235	/nfs/dbraw/zinc/92/72/35/1170927235.db2.gz	VSDDWTUEVSAQSP-ZCFIWIBFSA-N	-1	0	301.270	0.074	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC001609345961	1170946221	/nfs/dbraw/zinc/94/62/21/1170946221.db2.gz	SBCAGMKQSLPXMH-UHFFFAOYSA-N	-1	0	322.317	0.985	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001609345820	1170946827	/nfs/dbraw/zinc/94/68/27/1170946827.db2.gz	GQLDJTIYHHMVTQ-UHFFFAOYSA-N	-1	0	306.274	0.696	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001609398663	1170964593	/nfs/dbraw/zinc/96/45/93/1170964593.db2.gz	ANBZQPXTFQVEKO-SNVBAGLBSA-N	-1	0	307.302	0.998	20	30		DCEDRM
Cc1ccn(CN(CCC#N)CCC#N)c(=O)c1-c1nnn[n-]1	ZINC001609437884	1170976704	/nfs/dbraw/zinc/97/67/04/1170976704.db2.gz	GCXFDROULLDWSH-UHFFFAOYSA-N	-1	0	312.337	0.424	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc2nnc(C)n2c1)C(=O)[O-]	ZINC001609443260	1170979273	/nfs/dbraw/zinc/97/92/73/1170979273.db2.gz	XCYGVHUIBXXKPO-NSHDSACASA-N	-1	0	304.306	0.423	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnc2onc(C)c2c1)C(=O)[O-]	ZINC001609443179	1170979632	/nfs/dbraw/zinc/97/96/32/1170979632.db2.gz	UDIFGDITQRNOOD-LLVKDONJSA-N	-1	0	305.290	0.917	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1ccc(C#N)c(F)c1	ZINC001609498767	1170999710	/nfs/dbraw/zinc/99/97/10/1170999710.db2.gz	YWKJTCSYVKDNIM-UHFFFAOYSA-N	-1	0	309.268	0.576	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1nnsc1Cl	ZINC001609496779	1171000693	/nfs/dbraw/zinc/00/06/93/1171000693.db2.gz	GWVBWKWOLVZRAQ-UHFFFAOYSA-N	-1	0	308.718	0.070	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)[C@H](C(=O)[O-])C1	ZINC001610238852	1171203566	/nfs/dbraw/zinc/20/35/66/1171203566.db2.gz	ISOYRPXLWXQFSV-RDBSUJKOSA-N	-1	0	318.329	0.682	20	30		DCEDRM
C[C@@H](C#N)NC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1	ZINC001610388865	1171228056	/nfs/dbraw/zinc/22/80/56/1171228056.db2.gz	SGOKZWDPYLGAOI-VIFPVBQESA-N	-1	0	314.301	0.435	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1C#N	ZINC001610525342	1171246965	/nfs/dbraw/zinc/24/69/65/1171246965.db2.gz	SWYXCEYJAWZSBJ-AAEUAGOBSA-N	-1	0	324.358	0.465	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(C[C@H]2CCCS(=O)(=O)C2)c1=O	ZINC001610624948	1171271453	/nfs/dbraw/zinc/27/14/53/1171271453.db2.gz	FFUWWQMGBXAGFF-SECBINFHSA-N	-1	0	310.331	0.243	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1	ZINC001610621172	1171271589	/nfs/dbraw/zinc/27/15/89/1171271589.db2.gz	YYYUVEMAOKQJJP-NSHDSACASA-N	-1	0	316.360	0.485	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(C[C@@H]2CCCS(=O)(=O)C2)c1=O	ZINC001610624949	1171271787	/nfs/dbraw/zinc/27/17/87/1171271787.db2.gz	FFUWWQMGBXAGFF-VIFPVBQESA-N	-1	0	310.331	0.243	20	30		DCEDRM
N#CCN1CCC(CNC(=O)c2cc(C(=O)[O-])ccn2)CC1	ZINC001610623168	1171271858	/nfs/dbraw/zinc/27/18/58/1171271858.db2.gz	RXEJVUXRDDEAEJ-UHFFFAOYSA-N	-1	0	302.334	0.745	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)C(=O)NCC1(C(=O)[O-])CC1)CC2	ZINC001610630882	1171272406	/nfs/dbraw/zinc/27/24/06/1171272406.db2.gz	DXAVVARPOBDTPG-UHFFFAOYSA-N	-1	0	313.313	0.428	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C(=O)OC	ZINC001622226702	1171421347	/nfs/dbraw/zinc/42/13/47/1171421347.db2.gz	ZZRCEEMPTITSGK-AYLIAGHASA-N	-1	0	324.424	0.282	20	30		DCEDRM
C#CCN(Cc1ccccc1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001627115000	1171497324	/nfs/dbraw/zinc/49/73/24/1171497324.db2.gz	WTHKVGMGGWPCJS-UHFFFAOYSA-N	-1	0	322.324	0.483	20	30		DCEDRM
C=CCO[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1	ZINC001627703910	1171510822	/nfs/dbraw/zinc/51/08/22/1171510822.db2.gz	WGVFDVAHFOMVHR-GFCCVEGCSA-N	-1	0	306.297	0.480	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1	ZINC001628286833	1171523601	/nfs/dbraw/zinc/52/36/01/1171523601.db2.gz	DNDSRARMNASRAO-HONMWMINSA-N	-1	0	305.334	0.602	20	30		DCEDRM
CC(C)C[C@@H](C#N)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001631922889	1171606226	/nfs/dbraw/zinc/60/62/26/1171606226.db2.gz	ZEESJDHIQAQLDQ-NSHDSACASA-N	-1	0	315.333	0.934	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3cccc(F)n3)C2)c(=O)[n-]c1=O	ZINC001637513308	1171768436	/nfs/dbraw/zinc/76/84/36/1171768436.db2.gz	MRSFFFZTHFWNAE-UHFFFAOYSA-N	-1	0	315.264	0.052	20	30		DCEDRM
CCOc1cc(Cn2c(=O)[n-]cc(C#N)c2=O)ccc1[N+](=O)[O-]	ZINC001641220371	1171909311	/nfs/dbraw/zinc/90/93/11/1171909311.db2.gz	SOUOGVPKVCXQAK-UHFFFAOYSA-N	-1	0	316.273	0.763	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(=O)N1	ZINC001645787141	1172141530	/nfs/dbraw/zinc/14/15/30/1172141530.db2.gz	IZBSWIQKHPEDCQ-NSHDSACASA-N	-1	0	321.358	0.422	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCO1	ZINC001646053194	1172233994	/nfs/dbraw/zinc/23/39/94/1172233994.db2.gz	YANQKDKRMFPJGJ-ZJUUUORDSA-N	-1	0	318.333	0.019	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2CC2(Cl)Cl)c(=O)[n-]c1=O	ZINC001646148695	1172272413	/nfs/dbraw/zinc/27/24/13/1172272413.db2.gz	UZRJTBROISVBEQ-ZETCQYMHSA-N	-1	0	317.132	0.131	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H]2OCCc3ccccc32)c(C#N)c1=O	ZINC001646632676	1172448765	/nfs/dbraw/zinc/44/87/65/1172448765.db2.gz	PXECNLHFMCJQNC-CYBMUJFWSA-N	-1	0	312.329	0.671	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	ZINC001649832679	1173250251	/nfs/dbraw/zinc/25/02/51/1173250251.db2.gz	NTBAVXCQCVHNFE-WCQGTBRESA-N	-1	0	318.354	0.978	20	30		DCEDRM
CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[N-]OC	ZINC001653053392	1173781044	/nfs/dbraw/zinc/78/10/44/1173781044.db2.gz	DXIDNWWHZGFADE-JTQLQIEISA-N	-1	0	313.354	0.087	20	30		DCEDRM
O=C(C#CC1CC1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001673375164	1175197023	/nfs/dbraw/zinc/19/70/23/1175197023.db2.gz	KROBTGFHNFLNDD-LBPRGKRZSA-N	-1	0	303.366	0.394	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCO1	ZINC001681592714	1175906531	/nfs/dbraw/zinc/90/65/31/1175906531.db2.gz	IHAVRTYTHMLTSL-WOPDTQHZSA-N	-1	0	319.365	0.580	20	30		DCEDRM
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC(=O)[N-]OC	ZINC001684448193	1175999511	/nfs/dbraw/zinc/99/95/11/1175999511.db2.gz	FYPQMSKICKUIBT-UHFFFAOYSA-N	-1	0	311.338	0.537	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001689457306	1176905523	/nfs/dbraw/zinc/90/55/23/1176905523.db2.gz	PPBWMZLYBSKEOT-BDAKNGLRSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001700590296	1178670341	/nfs/dbraw/zinc/67/03/41/1178670341.db2.gz	ULXJTVVQAQUVQE-RTCCRHLQSA-N	-1	0	305.382	0.517	20	30		DCEDRM
C#CCCCCC(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001705328291	1180346847	/nfs/dbraw/zinc/34/68/47/1180346847.db2.gz	JXAHOCSGYBENAD-UHFFFAOYSA-N	-1	0	318.377	0.900	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001707243070	1180446868	/nfs/dbraw/zinc/44/68/68/1180446868.db2.gz	LAAHTWVPOZJUAF-WOPDTQHZSA-N	-1	0	323.397	0.571	20	30		DCEDRM
O=C(C#CC1CC1)NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001713971568	1181178174	/nfs/dbraw/zinc/17/81/74/1181178174.db2.gz	UHWJUIZXCUWYSR-YHWZYXNKSA-N	-1	0	315.377	0.535	20	30		DCEDRM
C#Cc1ccc(C(=O)NCCN(CC)Cc2n[nH]c(=O)[n-]2)nc1	ZINC001714597888	1181431096	/nfs/dbraw/zinc/43/10/96/1181431096.db2.gz	SMSKGENLUMPDPB-UHFFFAOYSA-N	-1	0	314.349	0.139	20	30		DCEDRM
C=CCCC(=O)N(C)C1CN(Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC001716737863	1182508176	/nfs/dbraw/zinc/50/81/76/1182508176.db2.gz	KTBNEOKDVQVDQH-UHFFFAOYSA-N	-1	0	315.377	0.631	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(NC(=O)C#CC(C)C)CC2)c1[O-]	ZINC001722065050	1184159491	/nfs/dbraw/zinc/15/94/91/1184159491.db2.gz	KTHJLLJPMRDFPG-UHFFFAOYSA-N	-1	0	304.350	0.462	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001725621336	1184916653	/nfs/dbraw/zinc/91/66/53/1184916653.db2.gz	JNTVGHKEAFRHTM-VXGBXAGGSA-N	-1	0	305.382	0.783	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C	ZINC001725624574	1184918533	/nfs/dbraw/zinc/91/85/33/1184918533.db2.gz	JHLGMGHOLNNVES-NWDGAFQWSA-N	-1	0	305.382	0.639	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001733930839	1186501292	/nfs/dbraw/zinc/50/12/92/1186501292.db2.gz	RSMOWDLHUCGMPU-GFCCVEGCSA-N	-1	0	305.382	0.593	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CC)Cc1n[nH]c(=O)[n-]1	ZINC001753091443	1188495912	/nfs/dbraw/zinc/49/59/12/1188495912.db2.gz	VNHKVKWQNRCWNF-AAEUAGOBSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001758254636	1189800335	/nfs/dbraw/zinc/80/03/35/1189800335.db2.gz	YCVALHSYGVWCLV-GFCCVEGCSA-N	-1	0	318.377	0.900	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2CC[C@@H](C(F)(F)F)O2)c(C#N)c1=O	ZINC001772118990	1190611250	/nfs/dbraw/zinc/61/12/50/1190611250.db2.gz	LDECKYVEKPQLGO-XPUUQOCRSA-N	-1	0	318.255	0.467	20	30		DCEDRM
C[C@H](C[C@@H](C)Nc1cncc(C#N)n1)NC(=O)c1cn[nH]n1	ZINC001089509157	751422405	/nfs/dbraw/zinc/42/24/05/751422405.db2.gz	RVPYAUJQXDVUAD-RKDXNWHRSA-N	-1	0	300.326	0.475	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ncc(C)cn1	ZINC001223203050	748360974	/nfs/dbraw/zinc/36/09/74/748360974.db2.gz	DCCYGMOOJMQBLW-NSHDSACASA-N	-1	0	302.352	0.761	20	30		DCEDRM
C=CC(=O)OC[C@H](COC(=O)C(=C)C)OCC[P@@](=O)([O-])O	ZINC001224606334	750148345	/nfs/dbraw/zinc/14/83/45/750148345.db2.gz	OMEYESLHLGAMDJ-SNVBAGLBSA-N	-1	0	322.250	0.398	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nnc(C)n1CC	ZINC001234092724	750944993	/nfs/dbraw/zinc/94/49/93/750944993.db2.gz	GUVYXBVMBDFWFE-JTQLQIEISA-N	-1	0	305.356	0.444	20	30		DCEDRM
C[C@H]1C[C@H](NCC#N)CCN1C(=O)c1c[n-]n2c1nccc2=O	ZINC001044766625	752862718	/nfs/dbraw/zinc/86/27/18/752862718.db2.gz	DKLQJFGQOSRFAG-WDEREUQCSA-N	-1	0	314.349	0.129	20	30		DCEDRM
C[C@@H]1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CN1CC#N	ZINC001071875405	762196308	/nfs/dbraw/zinc/19/63/08/762196308.db2.gz	BRNLJNCLALEEBJ-GHMZBOCLSA-N	-1	0	314.349	0.129	20	30		DCEDRM
C#CCN1CC[C@@H]1CN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001085924468	759478272	/nfs/dbraw/zinc/47/82/72/759478272.db2.gz	WSSUVEKZGIHQID-SNVBAGLBSA-N	-1	0	300.318	0.708	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CNc2ncccc2C#N)c1[O-]	ZINC001108311684	760370874	/nfs/dbraw/zinc/37/08/74/760370874.db2.gz	MBKZYGXKDCYACW-QMMMGPOBSA-N	-1	0	300.322	0.921	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nc(C#N)c(C#N)nc1C	ZINC001169965003	760941844	/nfs/dbraw/zinc/94/18/44/760941844.db2.gz	KYWCOPXCNJEYHX-UHFFFAOYSA-N	-1	0	308.261	0.955	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001070620894	761356834	/nfs/dbraw/zinc/35/68/34/761356834.db2.gz	YXHNHOCLUOSOPA-LLVKDONJSA-N	-1	0	322.365	0.347	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C)c2ncccc2C#N)c1[O-]	ZINC001100014655	763218900	/nfs/dbraw/zinc/21/89/00/763218900.db2.gz	SMUIOLBVNNIXRM-UHFFFAOYSA-N	-1	0	300.322	0.557	20	30		DCEDRM
CCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1ccncc1C#N	ZINC001100502851	763616660	/nfs/dbraw/zinc/61/66/60/763616660.db2.gz	DKFQULIGTHMKGB-UHFFFAOYSA-N	-1	0	314.349	0.947	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001132001959	764181703	/nfs/dbraw/zinc/18/17/03/764181703.db2.gz	FYYKXHULXCHCJL-VXGBXAGGSA-N	-1	0	305.382	0.783	20	30		DCEDRM
CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1ccncc1C#N	ZINC001103045985	764919872	/nfs/dbraw/zinc/91/98/72/764919872.db2.gz	KPOAUKZPZFNHNH-LLVKDONJSA-N	-1	0	314.349	0.733	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)Cn2ncn3nccc3c2=O)c1	ZINC001116194983	765849311	/nfs/dbraw/zinc/84/93/11/765849311.db2.gz	XYPBTANUQUXEGG-UHFFFAOYSA-N	-1	0	310.273	0.107	20	30		DCEDRM
C=CC[C@H](NC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C(=O)[O-]	ZINC001116887872	765923981	/nfs/dbraw/zinc/92/39/81/765923981.db2.gz	LZPIDDYELALDNW-MXWKQRLJSA-N	-1	0	318.395	0.671	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C1	ZINC001118134430	766233130	/nfs/dbraw/zinc/23/31/30/766233130.db2.gz	SPTCUPXSFPLEJS-GHMZBOCLSA-N	-1	0	304.368	0.057	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1	ZINC001119056184	766521440	/nfs/dbraw/zinc/52/14/40/766521440.db2.gz	LMUCOVDBYRYFGG-NSHDSACASA-N	-1	0	312.391	0.552	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(Nc3ccc(C#N)nn3)CC2)c1[O-]	ZINC001110108346	766586561	/nfs/dbraw/zinc/58/65/61/766586561.db2.gz	PTHVSPFTIMMNFT-UHFFFAOYSA-N	-1	0	313.321	0.460	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)CCS)cc1	ZINC001143985492	766756827	/nfs/dbraw/zinc/75/68/27/766756827.db2.gz	OHVHAYVISCMPOC-UHFFFAOYSA-N	-1	0	316.404	0.563	20	30		DCEDRM
C=C(C)Cn1nnnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC001120090724	766899144	/nfs/dbraw/zinc/89/91/44/766899144.db2.gz	UUZIMYRODONTHX-NSHDSACASA-N	-1	0	318.303	0.897	20	30		DCEDRM
C=C/C(C)=C\CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001120832515	767248247	/nfs/dbraw/zinc/24/82/47/767248247.db2.gz	KMQPFLBBHIFNNG-WMZJFQQLSA-N	-1	0	300.318	0.726	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)Cc1ccoc1	ZINC001121561546	767591952	/nfs/dbraw/zinc/59/19/52/767591952.db2.gz	HCHIZDMQJPVXDH-UHFFFAOYSA-N	-1	0	300.322	0.918	20	30		DCEDRM
CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1	ZINC001152636322	769617471	/nfs/dbraw/zinc/61/74/71/769617471.db2.gz	ISBUYQHKKJAOEN-SECBINFHSA-N	-1	0	317.353	0.350	20	30		DCEDRM
COc1cc(C#N)c(F)cc1NC(=O)Cn1nn[n-]c1=S	ZINC001177740999	770540990	/nfs/dbraw/zinc/54/09/90/770540990.db2.gz	ODCYLBVHXFUKNN-UHFFFAOYSA-N	-1	0	308.298	0.620	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@@H]1COC(C)(C)O1	ZINC001206380807	771007173	/nfs/dbraw/zinc/00/71/73/771007173.db2.gz	NYGUNIAFPBXXJU-GHMZBOCLSA-N	-1	0	310.368	0.614	20	30		DCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)Cc1ccccc1C#N	ZINC001181803971	771353736	/nfs/dbraw/zinc/35/37/36/771353736.db2.gz	HLNACMGPKBVLCT-LBPRGKRZSA-N	-1	0	304.302	0.623	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)COc2ccc(OCC(=O)[O-])cc2)CCO1	ZINC001183907568	771720697	/nfs/dbraw/zinc/72/06/97/771720697.db2.gz	XJXJRLGLJSCIQJ-CYBMUJFWSA-N	-1	0	320.301	0.280	20	30		DCEDRM
O=C(CCC(=O)N1CCC2(CC1)CNC(=O)CO2)C1=CC=C[CH]1	ZINC001184243187	771762607	/nfs/dbraw/zinc/76/26/07/771762607.db2.gz	FHYMTCORBGLMBU-UHFFFAOYSA-N	-1	0	317.365	0.544	20	30		DCEDRM
C=CCN(CCC#N)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001159449506	771912069	/nfs/dbraw/zinc/91/20/69/771912069.db2.gz	YLWFCNDHEYCKDH-UHFFFAOYSA-N	-1	0	313.317	0.808	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2cn3ccccc3n2)c(C#N)c1=O	ZINC001162067956	772322115	/nfs/dbraw/zinc/32/21/15/772322115.db2.gz	CKTUPCHQIVBNHP-UHFFFAOYSA-N	-1	0	310.317	0.248	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCOCC2CCC2)c(=O)[n-]c1=O	ZINC001163007212	772442116	/nfs/dbraw/zinc/44/21/16/772442116.db2.gz	MSAFVQWZXYQRDG-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
Cc1ccnc(N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])c1	ZINC001163063579	772451872	/nfs/dbraw/zinc/45/18/72/772451872.db2.gz	PNWUXGUBRJIYJZ-NSHDSACASA-N	-1	0	321.339	0.910	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)c1	ZINC001190615766	772645364	/nfs/dbraw/zinc/64/53/64/772645364.db2.gz	BIFVSMFXIZNDCC-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1ccc2nc(C3CCOCC3)nn2c1	ZINC001192952202	772978100	/nfs/dbraw/zinc/97/81/00/772978100.db2.gz	ZKVWNDDLXXTPOH-UHFFFAOYSA-N	-1	0	321.362	0.889	20	30		DCEDRM
COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)CC#N)c1	ZINC001192978788	772991208	/nfs/dbraw/zinc/99/12/08/772991208.db2.gz	GQPAMXZWOQZFEK-UHFFFAOYSA-N	-1	0	312.303	0.525	20	30		DCEDRM
COc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)CC#N	ZINC001192981009	772992288	/nfs/dbraw/zinc/99/22/88/772992288.db2.gz	WHHDIDUZGJETLP-UHFFFAOYSA-N	-1	0	304.349	0.364	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1CCCO1	ZINC001193106534	773006201	/nfs/dbraw/zinc/00/62/01/773006201.db2.gz	GYFWZWHQIKSECW-DTWKUNHWSA-N	-1	0	322.350	0.789	20	30		DCEDRM
COC(=O)[C@@H]1CN(C)CCN1C(=O)c1ccc([O-])c(C#N)c1	ZINC001193504632	773075628	/nfs/dbraw/zinc/07/56/28/773075628.db2.gz	FVHLQENCMFJIFV-LBPRGKRZSA-N	-1	0	303.318	0.193	20	30		DCEDRM
CN(CC#N)[C@H]1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	ZINC001194218962	773165242	/nfs/dbraw/zinc/16/52/42/773165242.db2.gz	ZXDJULUZLUPBOS-VIFPVBQESA-N	-1	0	320.315	0.500	20	30		DCEDRM
C#CCNC(=O)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F	ZINC001195354108	773384336	/nfs/dbraw/zinc/38/43/36/773384336.db2.gz	OVCDNIAIDQBMMW-UHFFFAOYSA-N	-1	0	311.212	0.853	20	30		DCEDRM
CCOC(=O)CC1(NC(=O)c2ccc(C#N)cc2[O-])COC1	ZINC001195765276	773471291	/nfs/dbraw/zinc/47/12/91/773471291.db2.gz	ZUZXVSUVRMRGAX-UHFFFAOYSA-N	-1	0	304.302	0.716	20	30		DCEDRM
C[C@@H]1CN(CC#N)C[C@H]1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001211261682	773786784	/nfs/dbraw/zinc/78/67/84/773786784.db2.gz	LFFPEFQDHUYQLP-RKDXNWHRSA-N	-1	0	320.315	0.404	20	30		DCEDRM
COc1ncnc([N-]S(=O)(=O)c2ccc(C)nc2)c1C#N	ZINC001198277973	773889709	/nfs/dbraw/zinc/88/97/09/773889709.db2.gz	RTCZBYUSQXBROG-UHFFFAOYSA-N	-1	0	305.319	0.861	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1nccnc1C	ZINC001223358106	775484038	/nfs/dbraw/zinc/48/40/38/775484038.db2.gz	AQNGHASLTAGYCA-LLVKDONJSA-N	-1	0	302.352	0.761	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](OCCS(=O)(=O)[O-])C1	ZINC001224568757	775584080	/nfs/dbraw/zinc/58/40/80/775584080.db2.gz	MTPHZCMZUQBPRV-VHSXEESVSA-N	-1	0	320.367	0.650	20	30		DCEDRM
N#Cc1cccnc1N1CCC(OCCS(=O)(=O)[O-])CC1	ZINC001224570953	775585974	/nfs/dbraw/zinc/58/59/74/775585974.db2.gz	GJPILHOJKFMDLZ-UHFFFAOYSA-N	-1	0	311.363	0.826	20	30		DCEDRM
CC(=O)O[C@H]1CO[C@@H]2[C@H](Oc3[n-]c(=O)cc(C)c3C#N)CO[C@@H]21	ZINC001226223568	775784485	/nfs/dbraw/zinc/78/44/85/775784485.db2.gz	RFTVRWAADJHWJQ-OIMNJJJWSA-N	-1	0	320.301	0.444	20	30		DCEDRM
C=C[C@@H](Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-])C(=O)OC	ZINC001227629780	775992895	/nfs/dbraw/zinc/99/28/95/775992895.db2.gz	YFOPXIUEIKBARW-RXMQYKEDSA-N	-1	0	301.280	0.919	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1[nH]c(=O)ncc1CC	ZINC001228416173	776081495	/nfs/dbraw/zinc/08/14/95/776081495.db2.gz	QFWSNXHZVWXOAT-SNVBAGLBSA-N	-1	0	318.351	0.582	20	30		DCEDRM
C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1ncnc(=O)[n-]1	ZINC001229605671	776204932	/nfs/dbraw/zinc/20/49/32/776204932.db2.gz	GJEYGOSMDPFFQX-SECBINFHSA-N	-1	0	309.278	0.173	20	30		DCEDRM
C=CCCOCC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001230411475	776297894	/nfs/dbraw/zinc/29/78/94/776297894.db2.gz	JOCJCYBIHLGUMT-UHFFFAOYSA-N	-1	0	309.370	0.184	20	30		DCEDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@](O)(CC#N)C1	ZINC001600833701	1168478887	/nfs/dbraw/zinc/47/88/87/1168478887.db2.gz	GKPQORGYBPRMFZ-LBPRGKRZSA-N	-1	0	314.319	0.325	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC001601001149	1168555887	/nfs/dbraw/zinc/55/58/87/1168555887.db2.gz	PHGBWYJKSDIKIW-SNVBAGLBSA-N	-1	0	305.338	0.084	20	30		DCEDRM
C#CCN1C[C@@]2(F)CN(C(=O)c3ccncc3[O-])C[C@@]2(F)C1=O	ZINC001271403279	941367654	/nfs/dbraw/zinc/36/76/54/941367654.db2.gz	WYQRSCKLNMEXSV-HUUCEWRRSA-N	-1	0	321.283	0.135	20	30		DCEDRM
COC(=O)C1(CNc2[n-]c(=O)n(C)c(=O)c2C#N)CCCC1	ZINC001412873106	942119346	/nfs/dbraw/zinc/11/93/46/942119346.db2.gz	UWDYBWLNEXMCLK-UHFFFAOYSA-N	-1	0	306.322	0.091	20	30		DCEDRM
CC(=O)NCc1ccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001412872987	942119410	/nfs/dbraw/zinc/11/94/10/942119410.db2.gz	ZTPMVHCMNCZDDV-UHFFFAOYSA-N	-1	0	313.317	0.325	20	30		DCEDRM
Cn1nccc1[C@@H](NCC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC001601033286	970912439	/nfs/dbraw/zinc/91/24/39/970912439.db2.gz	AZIQTJMKNNFJJC-CQSZACIVSA-N	-1	0	313.317	0.646	20	30		DCEDRM
C[C@H]1CC[C@@H](CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001413308617	942619336	/nfs/dbraw/zinc/61/93/36/942619336.db2.gz	KALSREHSSJFEBV-WDEREUQCSA-N	-1	0	304.350	0.763	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)ccc1F	ZINC001413384656	942943153	/nfs/dbraw/zinc/94/31/53/942943153.db2.gz	BUOCAAITZYZADE-NSHDSACASA-N	-1	0	302.269	0.424	20	30		DCEDRM
N#C[C@H]1CCCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1	ZINC001413544203	943059991	/nfs/dbraw/zinc/05/99/91/943059991.db2.gz	SJFIPCYDGMSRBH-SNVBAGLBSA-N	-1	0	313.317	0.642	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@@]1(C)CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001484159210	943170452	/nfs/dbraw/zinc/17/04/52/943170452.db2.gz	PXGCJFNGENAYBU-MRXNPFEDSA-N	-1	0	319.409	0.888	20	30		DCEDRM
CC[C@H](CC#N)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001255164161	943234842	/nfs/dbraw/zinc/23/48/42/943234842.db2.gz	KELCLKTUQUTNET-ZJUUUORDSA-N	-1	0	311.344	0.695	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCSCCC(=O)[O-])nc1	ZINC001611299808	970983697	/nfs/dbraw/zinc/98/36/97/970983697.db2.gz	ZDELVKMWFQIWLT-UHFFFAOYSA-N	-1	0	300.361	0.935	20	30		DCEDRM
C=CCCCC(=O)N(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001486941277	945418017	/nfs/dbraw/zinc/41/80/17/945418017.db2.gz	YITFSIFEJDBYKX-VIFPVBQESA-N	-1	0	323.353	0.216	20	30		DCEDRM
Cc1cc(O)cc2c1C(=O)C(=N[N-]c1ccc(C(N)=O)nn1)O2	ZINC001319242946	945531175	/nfs/dbraw/zinc/53/11/75/945531175.db2.gz	AZWXSMXAAJXLJN-UHFFFAOYSA-N	-1	0	313.273	0.590	20	30		DCEDRM
C#CCN(CC#C)Cc1cn(-c2ccc(C(=O)[O-])c(O)c2)nn1	ZINC001254096849	946314338	/nfs/dbraw/zinc/31/43/38/946314338.db2.gz	ZWMFSJGNTSLAQH-UHFFFAOYSA-N	-1	0	310.313	0.740	20	30		DCEDRM
COC[C@@H](C)[N@H+](CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001255566724	946526903	/nfs/dbraw/zinc/52/69/03/946526903.db2.gz	NJCQLBNIEDQXGT-RKDXNWHRSA-N	-1	0	302.333	0.037	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1	ZINC001602674904	971243869	/nfs/dbraw/zinc/24/38/69/971243869.db2.gz	DVUTWKIOBCSFQX-MGPQQGTHSA-N	-1	0	320.389	0.818	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)c(F)c1	ZINC001322171414	946599778	/nfs/dbraw/zinc/59/97/78/946599778.db2.gz	FGZRNQCVLFPZHC-NSHDSACASA-N	-1	0	321.308	0.398	20	30		DCEDRM
C#CCCCCCCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001602675758	971252761	/nfs/dbraw/zinc/25/27/61/971252761.db2.gz	OGJZUAUVVGXVKV-UHFFFAOYSA-N	-1	0	303.318	0.550	20	30		DCEDRM
C#C[C@](C)(CC)[NH2+]Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC001573281192	946674862	/nfs/dbraw/zinc/67/48/62/946674862.db2.gz	VXFCECRQZYEBKG-CQSZACIVSA-N	-1	0	312.337	0.507	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1cccc(C(=O)NC)c1	ZINC001602681956	971264722	/nfs/dbraw/zinc/26/47/22/971264722.db2.gz	CJAMDTPEDZSZQK-UHFFFAOYSA-N	-1	0	302.330	0.525	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CNC(=O)Nc1cccc(C)c1	ZINC001602682234	971266725	/nfs/dbraw/zinc/26/67/25/971266725.db2.gz	JYBGIOUPNQVNDI-UHFFFAOYSA-N	-1	0	303.318	0.663	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC001602683579	971274235	/nfs/dbraw/zinc/27/42/35/971274235.db2.gz	GDCKRNXDFIMFJK-RYUDHWBXSA-N	-1	0	309.366	0.363	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccncc1Br	ZINC001602688898	971293444	/nfs/dbraw/zinc/29/34/44/971293444.db2.gz	YNUQITYBIPZEEG-UHFFFAOYSA-N	-1	0	312.123	0.818	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nc(CC)n(-c2ccccc2)n1	ZINC001602692349	971301879	/nfs/dbraw/zinc/30/18/79/971301879.db2.gz	LDISXKXDSQMRBQ-UHFFFAOYSA-N	-1	0	312.329	0.990	20	30		DCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cn1	ZINC001259378288	946952327	/nfs/dbraw/zinc/95/23/27/946952327.db2.gz	SMZOLHJCZFOZIW-UHFFFAOYSA-N	-1	0	317.286	0.996	20	30		DCEDRM
C=C(Cl)CN(C)C[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC001573294669	946994934	/nfs/dbraw/zinc/99/49/34/946994934.db2.gz	FXAJZSKWGNTBQH-SECBINFHSA-N	-1	0	323.788	0.997	20	30		DCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1C#N	ZINC001259844908	947001330	/nfs/dbraw/zinc/00/13/30/947001330.db2.gz	RWXKIRZHJALLFM-UHFFFAOYSA-N	-1	0	306.303	0.821	20	30		DCEDRM
C=CCS(=O)(=O)[N-]c1cc(OC)c(OC)cc1C(N)=O	ZINC001259930764	947025877	/nfs/dbraw/zinc/02/58/77/947025877.db2.gz	DQJHKLMZVMEORU-UHFFFAOYSA-N	-1	0	300.336	0.730	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)C=C)n1C[C@@H]1CCCO1	ZINC001602700599	971318757	/nfs/dbraw/zinc/31/87/57/971318757.db2.gz	AQUZDRFGFBBHRC-NWDGAFQWSA-N	-1	0	320.349	0.201	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CC=NO2)n1CC1CC1	ZINC001602701036	971324962	/nfs/dbraw/zinc/32/49/62/971324962.db2.gz	SMPNZWCAFPOFRO-NSHDSACASA-N	-1	0	303.322	0.660	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1cc(F)c(F)c(C#N)c1	ZINC001260592476	947122431	/nfs/dbraw/zinc/12/24/31/947122431.db2.gz	JVEYZLXENZBANJ-UHFFFAOYSA-N	-1	0	310.303	0.580	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1cc(Cl)cc(C#N)c1	ZINC001260591976	947122543	/nfs/dbraw/zinc/12/25/43/947122543.db2.gz	WBZHUPCDNZRBKL-UHFFFAOYSA-N	-1	0	308.768	0.955	20	30		DCEDRM
C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602710240	971350146	/nfs/dbraw/zinc/35/01/46/971350146.db2.gz	RXYZJMSOTVFEQT-NWDGAFQWSA-N	-1	0	322.365	0.853	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1	ZINC001261838224	947456321	/nfs/dbraw/zinc/45/63/21/947456321.db2.gz	ZYZLYNCLCJEZDB-JHJVBQTASA-N	-1	0	324.377	0.359	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1	ZINC001261838227	947457198	/nfs/dbraw/zinc/45/71/98/947457198.db2.gz	ZYZLYNCLCJEZDB-YNEHKIRRSA-N	-1	0	324.377	0.359	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3nncn3CC2)CC1	ZINC001262104742	947562280	/nfs/dbraw/zinc/56/22/80/947562280.db2.gz	MGZSBQUJNUDYQP-SNVBAGLBSA-N	-1	0	310.379	0.395	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(C)c2ccccc21)C(=O)[O-]	ZINC001262177892	947593099	/nfs/dbraw/zinc/59/30/99/947593099.db2.gz	KAYGVVGDNALQCH-NWDGAFQWSA-N	-1	0	300.314	0.729	20	30		DCEDRM
C=CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602730151	971407112	/nfs/dbraw/zinc/40/71/12/971407112.db2.gz	VOIJBANCVWWDRG-UTUOFQBUSA-N	-1	0	321.381	0.113	20	30		DCEDRM
CC#CCC[N@@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001602735082	971415719	/nfs/dbraw/zinc/41/57/19/971415719.db2.gz	NYCPROABMWWMRZ-NXEZZACHSA-N	-1	0	306.284	0.996	20	30		DCEDRM
CN(CCCNc1[n-]c(=O)n(C)c(=O)c1C#N)CC(F)(F)F	ZINC001262679064	947747082	/nfs/dbraw/zinc/74/70/82/947747082.db2.gz	YVWBRVJUCAEWTM-UHFFFAOYSA-N	-1	0	319.287	0.241	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1	ZINC001326798003	948282075	/nfs/dbraw/zinc/28/20/75/948282075.db2.gz	TVEMYBRIIGBWNZ-SNVBAGLBSA-N	-1	0	312.347	0.745	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001327116864	948400566	/nfs/dbraw/zinc/40/05/66/948400566.db2.gz	YIBFMQATYXZRDK-XHDPSFHLSA-N	-1	0	323.397	0.308	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H]([C@@]2(C)COC(=O)N2)C1	ZINC001602778121	971510641	/nfs/dbraw/zinc/51/06/41/971510641.db2.gz	BWAIYTHJUOJTJT-COLVAYQJSA-N	-1	0	323.349	0.728	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC001364487451	949408620	/nfs/dbraw/zinc/40/86/20/949408620.db2.gz	ZNAHIOJHXYOTNU-UHFFFAOYSA-N	-1	0	321.318	0.341	20	30		DCEDRM
CCc1[nH]nc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1C	ZINC001364490341	949413191	/nfs/dbraw/zinc/41/31/91/949413191.db2.gz	NUGZGFKTIJJTCI-UHFFFAOYSA-N	-1	0	302.294	0.053	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	ZINC001329282350	949480958	/nfs/dbraw/zinc/48/09/58/949480958.db2.gz	SMWQUTQSHMVPJS-GFCCVEGCSA-N	-1	0	312.366	0.854	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@H](O)[C@@H]3CCCC[C@H]32)c(C#N)c1=O	ZINC001364585978	949593184	/nfs/dbraw/zinc/59/31/84/949593184.db2.gz	QMKKWFUOKRCUES-JLLWLGSASA-N	-1	0	304.350	0.075	20	30		DCEDRM
COC(=O)[C@]1([N-]S(=O)(=O)CC(C)(C)CC#N)CCOC1	ZINC001364796883	949955477	/nfs/dbraw/zinc/95/54/77/949955477.db2.gz	NKBLDKRVCFYGNM-LBPRGKRZSA-N	-1	0	304.368	0.178	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001489814537	950117066	/nfs/dbraw/zinc/11/70/66/950117066.db2.gz	KDAKYOWCQAHXSE-TXEJJXNPSA-N	-1	0	318.377	0.852	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@@H]2COCCN2Cc2n[nH]c(=O)[n-]2)C1	ZINC001280415741	950853684	/nfs/dbraw/zinc/85/36/84/950853684.db2.gz	NQZXQHFFLKUELL-LLVKDONJSA-N	-1	0	321.381	0.184	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C2CC(NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001281342549	951453036	/nfs/dbraw/zinc/45/30/36/951453036.db2.gz	RNTMOSGVDPDSJG-UHFFFAOYSA-N	-1	0	318.377	0.802	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-]CC(F)(F)C(=O)OC	ZINC001365745101	951497059	/nfs/dbraw/zinc/49/70/59/951497059.db2.gz	BLQYSFCVIHXUMH-MRVPVSSYSA-N	-1	0	313.326	0.111	20	30		DCEDRM
C#CCN1C[C@@]2(CC1=O)CCCCN2S(=O)(=O)c1ncc[n-]1	ZINC001275460992	952166008	/nfs/dbraw/zinc/16/60/08/952166008.db2.gz	DOQPABYQTDYOJS-AWEZNQCLSA-N	-1	0	322.390	0.189	20	30		DCEDRM
C[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1ccccn1	ZINC001411600764	952311002	/nfs/dbraw/zinc/31/10/02/952311002.db2.gz	JUVVSVVLIZINGC-SNVBAGLBSA-N	-1	0	313.317	0.483	20	30		DCEDRM
CC[C@@H](C)[C@@](C)(O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001411796864	952457838	/nfs/dbraw/zinc/45/78/38/952457838.db2.gz	USQSYGMGJBSRFS-BMIGLBTASA-N	-1	0	322.365	0.124	20	30		DCEDRM
CCC(CC)(CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)SC	ZINC001411846678	952480264	/nfs/dbraw/zinc/48/02/64/952480264.db2.gz	IQMZSPNMUIFWEY-UHFFFAOYSA-N	-1	0	324.406	0.859	20	30		DCEDRM
C[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CCOCC1	ZINC001411899831	952523402	/nfs/dbraw/zinc/52/34/02/952523402.db2.gz	JMBHLOBUARPUNU-SNVBAGLBSA-N	-1	0	320.349	0.142	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC([C@H](C)NC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001411996471	952590905	/nfs/dbraw/zinc/59/09/05/952590905.db2.gz	QZXTWCMFUJUWKD-SFYZADRCSA-N	-1	0	305.338	0.160	20	30		DCEDRM
C[C@H]1CCC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001412033699	952612076	/nfs/dbraw/zinc/61/20/76/952612076.db2.gz	WZRHOQYOTSFDOG-JQWIXIFHSA-N	-1	0	304.350	0.906	20	30		DCEDRM
N#CC1(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CCSCC1	ZINC001412059402	952626331	/nfs/dbraw/zinc/62/63/31/952626331.db2.gz	WEEYKDWJXBBBPE-UHFFFAOYSA-N	-1	0	322.394	0.047	20	30		DCEDRM
N#Cc1cc(C(=O)N2CC3(C2)SCC[C@@H]3C(N)=O)ccc1[O-]	ZINC001276156531	952952231	/nfs/dbraw/zinc/95/22/31/952952231.db2.gz	UTVSJJPKNNGKFO-LLVKDONJSA-N	-1	0	317.370	0.697	20	30		DCEDRM
N#CCNCCCOC1CCN(C(=O)c2ncccc2O)CC1	ZINC001276158681	952955185	/nfs/dbraw/zinc/95/51/85/952955185.db2.gz	NKVFZZCUDUUNEV-UHFFFAOYSA-N	-1	0	318.377	0.912	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(CC)[C@@H]1CCCOC1	ZINC001339710412	953114563	/nfs/dbraw/zinc/11/45/63/953114563.db2.gz	QTTRQGZBKPSRGH-LLVKDONJSA-N	-1	0	318.381	0.693	20	30		DCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N1CC[C@@H](CF)C1	ZINC001340358097	953163527	/nfs/dbraw/zinc/16/35/27/953163527.db2.gz	CKZOCVAVIPEZOH-JTQLQIEISA-N	-1	0	306.349	0.558	20	30		DCEDRM
C=C1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CCOC)CC1	ZINC001342030867	953265176	/nfs/dbraw/zinc/26/51/76/953265176.db2.gz	UGQUULISZWABCE-UHFFFAOYSA-N	-1	0	304.354	0.305	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@@](C)(C#N)C1	ZINC001342242355	953278249	/nfs/dbraw/zinc/27/82/49/953278249.db2.gz	ZUJLHRCDGAPKTG-HNNXBMFYSA-N	-1	0	313.365	0.818	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(C[C@H]2CCOC2)nn1	ZINC001343499911	953349912	/nfs/dbraw/zinc/34/99/12/953349912.db2.gz	GXDVHRYCLYJUIS-MNOVXSKESA-N	-1	0	305.338	0.162	20	30		DCEDRM
C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001593498752	953376855	/nfs/dbraw/zinc/37/68/55/953376855.db2.gz	DFVYORIWEAXFKB-GXSJLCMTSA-N	-1	0	302.286	0.927	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)nc1	ZINC001343991249	953404040	/nfs/dbraw/zinc/40/40/40/953404040.db2.gz	QNZBKMYDMUUAIB-NSHDSACASA-N	-1	0	318.333	0.046	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)CC[C@@H]1C(=O)[O-]	ZINC001589367820	954208071	/nfs/dbraw/zinc/20/80/71/954208071.db2.gz	ZYOJLKXZJONEOH-ONGXEEELSA-N	-1	0	316.317	0.461	20	30		DCEDRM
CN(CCCC(=O)[O-])C(=O)C(=O)Nc1cc(F)cc(C#N)c1	ZINC001593742254	954361510	/nfs/dbraw/zinc/36/15/10/954361510.db2.gz	VVEBSCVLHVVPES-UHFFFAOYSA-N	-1	0	307.281	0.959	20	30		DCEDRM
CCC(=O)N1CC[C@@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001604852066	1169708242	/nfs/dbraw/zinc/70/82/42/1169708242.db2.gz	CFUWAXYSSQLJFR-LLVKDONJSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C#CCCCCCC(=O)N[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1	ZINC001284061413	954821405	/nfs/dbraw/zinc/82/14/05/954821405.db2.gz	RIAFVETYSGCSRJ-HAQNSBGRSA-N	-1	0	303.366	0.765	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1	ZINC001593812379	954958271	/nfs/dbraw/zinc/95/82/71/954958271.db2.gz	CEEUYQNDOWKSQE-UHFFFAOYSA-N	-1	0	317.301	0.699	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(C)c(C#N)c1	ZINC001593838753	955330682	/nfs/dbraw/zinc/33/06/82/955330682.db2.gz	NWULQWRBVCREIK-UHFFFAOYSA-N	-1	0	304.302	0.957	20	30		DCEDRM
C[C@@H](CCC#N)c1nnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1C	ZINC001589013335	955401166	/nfs/dbraw/zinc/40/11/66/955401166.db2.gz	VNWAGSASKCPDQS-FIXISWKDSA-N	-1	0	319.365	0.760	20	30		DCEDRM
C=CCCOCC(=O)N[C@H](C)[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001285337937	955583733	/nfs/dbraw/zinc/58/37/33/955583733.db2.gz	MSAQJHLABWUNDX-ZJUUUORDSA-N	-1	0	324.381	0.639	20	30		DCEDRM
COC(=O)c1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])oc1C	ZINC001593870624	955628947	/nfs/dbraw/zinc/62/89/47/955628947.db2.gz	KWEJDVVRAFVMSE-CQSZACIVSA-N	-1	0	308.290	0.995	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC001593913827	956001929	/nfs/dbraw/zinc/00/19/29/956001929.db2.gz	YZKBZNCANBXGFL-GFCCVEGCSA-N	-1	0	318.264	0.921	20	30		DCEDRM
N#CC1(NC(=O)COC(=O)[C@H](C(=O)[O-])C2CCCC2)CCC1	ZINC001594601595	956136337	/nfs/dbraw/zinc/13/63/37/956136337.db2.gz	FPLINJSNEBKFPM-LBPRGKRZSA-N	-1	0	308.334	0.983	20	30		DCEDRM
CCCCN(CCCO)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001446961578	1013143625	/nfs/dbraw/zinc/14/36/25/1013143625.db2.gz	OPKIMBXKEQFXOX-UHFFFAOYSA-N	-1	0	322.365	0.222	20	30		DCEDRM
N#CCc1ccccc1CC(=O)OCc1cn(CC(=O)[O-])nn1	ZINC001594611514	956216306	/nfs/dbraw/zinc/21/63/06/956216306.db2.gz	VUVFPHUVFJASAH-UHFFFAOYSA-N	-1	0	314.301	0.715	20	30		DCEDRM
C=CCN(Cc1cccc(C(=O)[O-])n1)[C@H]1CCS(=O)(=O)C1	ZINC001353896939	956227282	/nfs/dbraw/zinc/22/72/82/956227282.db2.gz	QQVOKKMMAIEVBO-LBPRGKRZSA-N	-1	0	310.375	0.955	20	30		DCEDRM
N#Cc1ccc(CC(=O)OCc2cn(CC(=O)[O-])nn2)cc1	ZINC001594618076	956259491	/nfs/dbraw/zinc/25/94/91/956259491.db2.gz	BRVOADUEHJVIGD-UHFFFAOYSA-N	-1	0	300.274	0.520	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1F	ZINC001594621409	956286052	/nfs/dbraw/zinc/28/60/52/956286052.db2.gz	KZRNCCXPHZKSGK-SECBINFHSA-N	-1	0	305.265	0.569	20	30		DCEDRM
N#Cc1cn([C@@H]2CCN(CC(=O)[O-])C2=O)c(=O)c2sccc21	ZINC001594631319	956339676	/nfs/dbraw/zinc/33/96/76/956339676.db2.gz	AGDMVTMODWONDC-SNVBAGLBSA-N	-1	0	317.326	0.793	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)NCc2ccccc2C(=O)[O-])n1	ZINC001594635934	956371888	/nfs/dbraw/zinc/37/18/88/956371888.db2.gz	YHTUEUDTPKCQBU-UHFFFAOYSA-N	-1	0	314.305	0.347	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2sccc2C#N)C1	ZINC001589188127	956575181	/nfs/dbraw/zinc/57/51/81/956575181.db2.gz	UAPJIIRSKBAXKQ-CYBMUJFWSA-N	-1	0	307.331	0.881	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccn(C2CCOCC2)n1	ZINC001356131663	956780570	/nfs/dbraw/zinc/78/05/70/956780570.db2.gz	PLAUMNZLSCTEIC-LBPRGKRZSA-N	-1	0	302.334	0.859	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(Cc2cc(C#N)ccc2OC)CCO1	ZINC001593986183	956783879	/nfs/dbraw/zinc/78/38/79/956783879.db2.gz	PIWRAOUTKGOOPL-INIZCTEOSA-N	-1	0	320.345	0.869	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2ccc3[nH]cnc3c2)c(=O)[n-]c1=O	ZINC001292190837	956932188	/nfs/dbraw/zinc/93/21/88/956932188.db2.gz	YWDUNFCKEGZEJP-UHFFFAOYSA-N	-1	0	324.300	0.726	20	30		DCEDRM
C#CCCCCC(=O)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001356807576	957055532	/nfs/dbraw/zinc/05/55/32/957055532.db2.gz	RHGSKISXXVJXHC-UHFFFAOYSA-N	-1	0	318.377	0.806	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC(C#N)CC2)C1	ZINC001589265732	957077632	/nfs/dbraw/zinc/07/76/32/957077632.db2.gz	JPYDPXQNEPYRHT-CMPLNLGQSA-N	-1	0	307.350	0.318	20	30		DCEDRM
CN(C)c1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cn1	ZINC001413876861	957313574	/nfs/dbraw/zinc/31/35/74/957313574.db2.gz	GUJKUNIKTLUFBM-UHFFFAOYSA-N	-1	0	300.322	0.018	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCC1(NC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001358658053	957549801	/nfs/dbraw/zinc/54/98/01/957549801.db2.gz	GGUPWPPATLUTLL-AWEZNQCLSA-N	-1	0	322.365	0.129	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001295193045	957657293	/nfs/dbraw/zinc/65/72/93/957657293.db2.gz	ZMUVKAPNFQFNPU-PHIMTYICSA-N	-1	0	302.334	0.214	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC001594274134	957702980	/nfs/dbraw/zinc/70/29/80/957702980.db2.gz	SKTGUDCESOYPRI-LBPRGKRZSA-N	-1	0	317.301	0.117	20	30		DCEDRM
CON=CC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001594042493	957889176	/nfs/dbraw/zinc/88/91/76/957889176.db2.gz	NYYPYHVGIMJRKV-DGCLKSJQSA-N	-1	0	319.317	0.162	20	30		DCEDRM
COc1cc(C(N)=O)ccc1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594051894	957999500	/nfs/dbraw/zinc/99/95/00/957999500.db2.gz	DHZNCDORCKLCGP-AWEZNQCLSA-N	-1	0	305.290	0.737	20	30		DCEDRM
C#CC1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1	ZINC001588388892	958001966	/nfs/dbraw/zinc/00/19/66/958001966.db2.gz	HYHKKYDIWXIILX-ZDUSSCGKSA-N	-1	0	306.362	0.572	20	30		DCEDRM
C=C(Br)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC000087616719	958024083	/nfs/dbraw/zinc/02/40/83/958024083.db2.gz	DOQAAFOFVVWEIF-QMMMGPOBSA-N	-1	0	312.185	0.469	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588392068	958029656	/nfs/dbraw/zinc/02/96/56/958029656.db2.gz	SHVKWZQZMGGWSH-JTQLQIEISA-N	-1	0	304.302	0.214	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC001588399388	958072125	/nfs/dbraw/zinc/07/21/25/958072125.db2.gz	JRSCOGTXXDRQKF-NSHDSACASA-N	-1	0	304.302	0.175	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCN(Cc2ccccc2)C1=O	ZINC001588399830	958075487	/nfs/dbraw/zinc/07/54/87/958075487.db2.gz	PMLJBGCTKKERSJ-CQSZACIVSA-N	-1	0	314.341	0.582	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC001588400389	958081436	/nfs/dbraw/zinc/08/14/36/958081436.db2.gz	WRIDHFDOVZJMAV-LBPRGKRZSA-N	-1	0	300.314	0.586	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCN(Cc1ccccc1)C(C)=O	ZINC001588401811	958086162	/nfs/dbraw/zinc/08/61/62/958086162.db2.gz	DCPLFUZDZKJDLR-UHFFFAOYSA-N	-1	0	316.357	0.972	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cc(OC)c(OC)c(OC)c1	ZINC001588407336	958099334	/nfs/dbraw/zinc/09/93/34/958099334.db2.gz	KLIAYWIWFYBOPJ-UHFFFAOYSA-N	-1	0	321.329	0.801	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@@H](c2ccnn2C)C1	ZINC001588410018	958133858	/nfs/dbraw/zinc/13/38/58/958133858.db2.gz	NPPZIQHYZZQOSW-DGCLKSJQSA-N	-1	0	320.349	0.370	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC001588410399	958139203	/nfs/dbraw/zinc/13/92/03/958139203.db2.gz	UOPLDVSJRPNWTP-GFCCVEGCSA-N	-1	0	315.329	0.521	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCN2CCNC2=O)cc1C#N	ZINC001361632222	958156578	/nfs/dbraw/zinc/15/65/78/958156578.db2.gz	PPZGBVHRBUNHPJ-UHFFFAOYSA-N	-1	0	321.362	0.136	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)OC1CN(C(=O)OC(C)(C)C)C1	ZINC001588417317	958170638	/nfs/dbraw/zinc/17/06/38/958170638.db2.gz	HZVNEOPHINFISA-UHFFFAOYSA-N	-1	0	312.322	0.762	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(Br)cnn1CC	ZINC001588417496	958174332	/nfs/dbraw/zinc/17/43/32/958174332.db2.gz	RKFVYTUGFIOOSZ-UHFFFAOYSA-N	-1	0	314.139	0.826	20	30		DCEDRM
C#CCCCC(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001297190797	958178000	/nfs/dbraw/zinc/17/80/00/958178000.db2.gz	BBSHWUZTXJEADW-UHFFFAOYSA-N	-1	0	304.350	0.415	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)NC(=O)Nc1ccccc1F	ZINC001588419716	958195157	/nfs/dbraw/zinc/19/51/57/958195157.db2.gz	BXLPNFYHOMBZFT-JTQLQIEISA-N	-1	0	321.308	0.882	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cn[nH]c2)n1CC(C)C	ZINC001588426635	958230563	/nfs/dbraw/zinc/23/05/63/958230563.db2.gz	SWGCTCOMHULSJU-UHFFFAOYSA-N	-1	0	302.338	0.848	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1	ZINC001588426625	958230593	/nfs/dbraw/zinc/23/05/93/958230593.db2.gz	SBEZESYIZJGAHF-UHFFFAOYSA-N	-1	0	320.326	0.237	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)C(C)C)n1CC1CC1	ZINC001588427130	958239836	/nfs/dbraw/zinc/23/98/36/958239836.db2.gz	NBVQVHNLFQHEMT-CYBMUJFWSA-N	-1	0	306.366	0.902	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001588442610	958345580	/nfs/dbraw/zinc/34/55/80/958345580.db2.gz	TVESHPMXRPWCHN-ZOWXZIJZSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=C(C)Cn1c([C@H](O)COC)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588443348	958351867	/nfs/dbraw/zinc/35/18/67/958351867.db2.gz	PQJKZTNXKLBGGO-GHMZBOCLSA-N	-1	0	310.354	0.445	20	30		DCEDRM
C=C[C@@H](O)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-]	ZINC001588452003	958416681	/nfs/dbraw/zinc/41/66/81/958416681.db2.gz	HBNGSHWKEGEDGC-NWDGAFQWSA-N	-1	0	307.302	0.236	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](NC(C)=O)C2)cc1C#N	ZINC001361888402	958451436	/nfs/dbraw/zinc/45/14/36/958451436.db2.gz	RGVGIOGGQHWCCU-SNVBAGLBSA-N	-1	0	320.374	0.731	20	30		DCEDRM
CN(Cc1cccs1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361901227	958466329	/nfs/dbraw/zinc/46/63/29/958466329.db2.gz	BWMFGAKDDOQCOE-UHFFFAOYSA-N	-1	0	304.331	0.541	20	30		DCEDRM
C=CCn1c([C@H](C)CO)nnc1N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588470750	958530725	/nfs/dbraw/zinc/53/07/25/958530725.db2.gz	URHCRBFHNWYKRJ-ABAIWWIYSA-N	-1	0	324.381	0.487	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC001588472496	958543076	/nfs/dbraw/zinc/54/30/76/958543076.db2.gz	NPXRFPIXHVINTC-TUAOUCFPSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C=CCn1c(N2CC[C@@](C)(C(=O)[O-])C2)nnc1[C@@]1(O)CCOC1	ZINC001588473406	958552164	/nfs/dbraw/zinc/55/21/64/958552164.db2.gz	YZRPPYQWBMGLML-HUUCEWRRSA-N	-1	0	322.365	0.373	20	30		DCEDRM
CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(C(=O)[O-])C1	ZINC001588479051	958576759	/nfs/dbraw/zinc/57/67/59/958576759.db2.gz	VBPSTPIOYCFNQO-LLVKDONJSA-N	-1	0	310.350	0.836	20	30		DCEDRM
CS[C@H]1CC[C@@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362186689	958895955	/nfs/dbraw/zinc/89/59/55/958895955.db2.gz	QCLNBGKNZFPQDS-MNOVXSKESA-N	-1	0	322.390	0.611	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(C2(O)COC2)cc1	ZINC001588542078	958969462	/nfs/dbraw/zinc/96/94/62/958969462.db2.gz	RWQSXGBXPOMWJQ-CQSZACIVSA-N	-1	0	304.302	0.847	20	30		DCEDRM
C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1)n1cnc(C#N)n1	ZINC001588551696	959029211	/nfs/dbraw/zinc/02/92/11/959029211.db2.gz	KZHGCIOHOREGAI-QPUJVOFHSA-N	-1	0	317.280	0.792	20	30		DCEDRM
CC(C)(C#N)CCCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001588607389	959486463	/nfs/dbraw/zinc/48/64/63/959486463.db2.gz	BXOHSZCJOQZNRC-UHFFFAOYSA-N	-1	0	304.306	0.296	20	30		DCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC001603256053	972439386	/nfs/dbraw/zinc/43/93/86/972439386.db2.gz	CUOQWRHSNTUPQH-HNNXBMFYSA-N	-1	0	306.318	0.667	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)NCCOCCOCC(=O)[O-])C1	ZINC001573641150	959610988	/nfs/dbraw/zinc/61/09/88/959610988.db2.gz	AUNCPXWSORYAQR-CQSZACIVSA-N	-1	0	313.354	0.439	20	30		DCEDRM
CS[C@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)C	ZINC001362649892	959766703	/nfs/dbraw/zinc/76/67/03/959766703.db2.gz	NRNNKAXEUSHTOB-SNVBAGLBSA-N	-1	0	324.406	0.714	20	30		DCEDRM
CC(C)C[C@H](CO)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362654307	959771866	/nfs/dbraw/zinc/77/18/66/959771866.db2.gz	RENZEEYEIGSFHB-GFCCVEGCSA-N	-1	0	322.365	0.076	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362690317	959834480	/nfs/dbraw/zinc/83/44/80/959834480.db2.gz	QOIRYDPBAAIEBJ-UHFFFAOYSA-N	-1	0	323.312	0.431	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2C[C@H]2c2ccco2)c(=O)[n-]c1=O	ZINC001362748806	959929494	/nfs/dbraw/zinc/92/94/94/959929494.db2.gz	BKWGGJOCAVDCAR-NXEZZACHSA-N	-1	0	300.274	0.086	20	30		DCEDRM
N#Cc1cnc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c(Cl)c1	ZINC001362758624	959945332	/nfs/dbraw/zinc/94/53/32/959945332.db2.gz	HZLOJAKWJGCRIH-SECBINFHSA-N	-1	0	319.712	0.333	20	30		DCEDRM
CCOCC(C)(C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362778346	959975564	/nfs/dbraw/zinc/97/55/64/959975564.db2.gz	FPLQSSVISGODTQ-UHFFFAOYSA-N	-1	0	308.338	0.142	20	30		DCEDRM
COCC(C)(C)CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362857800	960098840	/nfs/dbraw/zinc/09/88/40/960098840.db2.gz	GUUUDHJHQVYNJZ-UHFFFAOYSA-N	-1	0	322.365	0.390	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@H](O)[C@H](CO)C2)cc1C#N	ZINC001362894928	960144222	/nfs/dbraw/zinc/14/42/22/960144222.db2.gz	XFKMBNAJYISMKX-ONGXEEELSA-N	-1	0	323.374	0.196	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@@]2(CCCOC2)C1	ZINC001362895484	960144613	/nfs/dbraw/zinc/14/46/13/960144613.db2.gz	RNXJVJUUZBSFLH-INIZCTEOSA-N	-1	0	317.345	0.989	20	30		DCEDRM
C[C@@H](OC(=O)COCC(=O)[O-])C(=O)NC1(C#N)CCCCC1	ZINC001603272400	972484284	/nfs/dbraw/zinc/48/42/84/972484284.db2.gz	OWPNSHULZWWXBK-SNVBAGLBSA-N	-1	0	312.322	0.362	20	30		DCEDRM
CN1CCC[C@H]1c1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n[nH]1	ZINC001362972609	960243005	/nfs/dbraw/zinc/24/30/05/960243005.db2.gz	SLAKRBJTUQZMRN-LBPRGKRZSA-N	-1	0	310.321	0.895	20	30		DCEDRM
C[C@@H](CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCCO1	ZINC001363002923	960285419	/nfs/dbraw/zinc/28/54/19/960285419.db2.gz	HFETWJUXQGHGLS-CMPLNLGQSA-N	-1	0	320.349	0.142	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@]2(CNC(=O)C2)C1	ZINC001363102173	960401079	/nfs/dbraw/zinc/40/10/79/960401079.db2.gz	FOZQSZGTKPRWFM-HNNXBMFYSA-N	-1	0	300.318	0.320	20	30		DCEDRM
CC(=O)N[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CCCC1	ZINC001363150417	960486590	/nfs/dbraw/zinc/48/65/90/960486590.db2.gz	GTBTWFDTYYZVOJ-GFCCVEGCSA-N	-1	0	300.322	0.786	20	30		DCEDRM
CN(C)Cc1csc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001363162056	960512448	/nfs/dbraw/zinc/51/24/48/960512448.db2.gz	KRLFYXODXYYGSE-UHFFFAOYSA-N	-1	0	320.378	0.075	20	30		DCEDRM
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001363212679	960618496	/nfs/dbraw/zinc/61/84/96/960618496.db2.gz	NULCUSSLXRBUNK-UONOGXRCSA-N	-1	0	324.340	0.801	20	30		DCEDRM
C[C@@H](C(=O)N(C1CC1)C1(C(=O)[O-])CCC1)n1cnc(C#N)n1	ZINC001571080356	960997200	/nfs/dbraw/zinc/99/72/00/960997200.db2.gz	QRLMBOBULBAXGL-VIFPVBQESA-N	-1	0	303.322	0.709	20	30		DCEDRM
C[C@H](C(=O)N(C1CC1)C1(C(=O)[O-])CCC1)n1cnc(C#N)n1	ZINC001571080350	960997555	/nfs/dbraw/zinc/99/75/55/960997555.db2.gz	QRLMBOBULBAXGL-SECBINFHSA-N	-1	0	303.322	0.709	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC001571084603	961035500	/nfs/dbraw/zinc/03/55/00/961035500.db2.gz	MOCMJFXKRYVVPZ-CQSZACIVSA-N	-1	0	305.290	0.620	20	30		DCEDRM
Cc1oc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1C(=O)[O-]	ZINC001571086237	961065525	/nfs/dbraw/zinc/06/55/25/961065525.db2.gz	YMOQMEZAMQFZRJ-UHFFFAOYSA-N	-1	0	304.262	0.157	20	30		DCEDRM
C[C@@H](C(=O)NCC1(CC(=O)[O-])CCCC1)n1cnc(C#N)n1	ZINC001571087691	961086402	/nfs/dbraw/zinc/08/64/02/961086402.db2.gz	KNIQJHJUMOZAJZ-JTQLQIEISA-N	-1	0	305.338	0.862	20	30		DCEDRM
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363434348	961145808	/nfs/dbraw/zinc/14/58/08/961145808.db2.gz	JHNSEFFOHADRMN-URBCHYCLSA-N	-1	0	316.361	0.619	20	30		DCEDRM
CS(=O)(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H]2C[C@@H]2C#N)c1	ZINC001571098782	961207177	/nfs/dbraw/zinc/20/71/77/961207177.db2.gz	ZDUKPZSPKQTRAT-GMSGAONNSA-N	-1	0	308.315	0.886	20	30		DCEDRM
CC[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)N1CCO[C@H](CC)C1	ZINC001363467334	961215902	/nfs/dbraw/zinc/21/59/02/961215902.db2.gz	UHSKZBOWKDFJQK-MFKMUULPSA-N	-1	0	316.365	0.981	20	30		DCEDRM
CCC[C@@H](C)[C@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363475329	961235015	/nfs/dbraw/zinc/23/50/15/961235015.db2.gz	KGUNQMGPIHEFGF-PWSUYJOCSA-N	-1	0	322.365	0.124	20	30		DCEDRM
CCCCC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001363480946	961242036	/nfs/dbraw/zinc/24/20/36/961242036.db2.gz	CARXHGMEPOTFDX-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
CC(C)(C)n1nccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001363487970	961260423	/nfs/dbraw/zinc/26/04/23/961260423.db2.gz	BFDBFHGGMZHIHI-UHFFFAOYSA-N	-1	0	316.321	0.411	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2O)c(C(=O)[O-])c1	ZINC001571106400	961280928	/nfs/dbraw/zinc/28/09/28/961280928.db2.gz	ONNAPXLLZFCIFZ-GHMZBOCLSA-N	-1	0	310.331	0.448	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCN(CC(F)(F)F)C1)C(=O)[O-]	ZINC001331896805	961405989	/nfs/dbraw/zinc/40/59/89/961405989.db2.gz	SFLOJORVGAEWCR-ZJUUUORDSA-N	-1	0	324.299	0.643	20	30		DCEDRM
CC(C)[S@@](C)(=O)=NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363583425	961489107	/nfs/dbraw/zinc/48/91/07/961489107.db2.gz	UKGYHDDDFPIOJV-OAQYLSRUSA-N	-1	0	312.351	0.243	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@@H](C(=O)[O-])O1	ZINC001571131774	961566380	/nfs/dbraw/zinc/56/63/80/961566380.db2.gz	SWNFWUHNQDRJMA-QWRGUYRKSA-N	-1	0	316.379	0.574	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN2CCCC[C@@H]2C(=O)[O-])nc1	ZINC001574488197	961694265	/nfs/dbraw/zinc/69/42/65/961694265.db2.gz	MTZIBCMZENHIIW-GFCCVEGCSA-N	-1	0	323.374	0.666	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)c2coc(/C=C/C(=O)[O-])c2)n1	ZINC001574493691	961721590	/nfs/dbraw/zinc/72/15/90/961721590.db2.gz	PHLYXVFHVDVPFE-OWOJBTEDSA-N	-1	0	301.262	0.271	20	30		DCEDRM
CC(C)(C)O[C@H]1C[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001363716913	961752720	/nfs/dbraw/zinc/75/27/20/961752720.db2.gz	LLZGGVSRERVVEA-XYPYZODXSA-N	-1	0	320.349	0.283	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)NCC2(CC(=O)[O-])CCCC2)n1	ZINC001571149049	961761794	/nfs/dbraw/zinc/76/17/94/961761794.db2.gz	KLXGRGMPZWRYFD-UHFFFAOYSA-N	-1	0	320.353	0.484	20	30		DCEDRM
CC(=O)Nc1cccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001363723905	961764980	/nfs/dbraw/zinc/76/49/80/961764980.db2.gz	TVEGXVGFKRGORH-UHFFFAOYSA-N	-1	0	313.317	0.516	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c(C#N)c1=O	ZINC001363762944	961830317	/nfs/dbraw/zinc/83/03/17/961830317.db2.gz	PPOOXWLVJDVQBT-SLGCYQGISA-N	-1	0	306.322	0.040	20	30		DCEDRM
N#Cc1cccc2c1CN(C(=O)Cn1cccc(C(=O)[O-])c1=O)C2	ZINC001571160437	961921675	/nfs/dbraw/zinc/92/16/75/961921675.db2.gz	XMHJDZOYMRYBCE-UHFFFAOYSA-N	-1	0	323.308	0.961	20	30		DCEDRM
COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1ccc(C#N)cn1	ZINC001363830099	961975744	/nfs/dbraw/zinc/97/57/44/961975744.db2.gz	CALKYYAZSQTZFF-MRVPVSSYSA-N	-1	0	319.289	0.428	20	30		DCEDRM
COc1cc(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1C#N	ZINC001571165745	961996035	/nfs/dbraw/zinc/99/60/35/961996035.db2.gz	PJCXDTJMFQOQRL-TXEJJXNPSA-N	-1	0	324.358	0.849	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@H](O)[C@@H](F)C2)cc1C#N	ZINC001363918077	962127316	/nfs/dbraw/zinc/12/73/16/962127316.db2.gz	UQCYTYHWZLBFIM-UWVGGRQHSA-N	-1	0	311.338	0.926	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC001574056534	962193393	/nfs/dbraw/zinc/19/33/93/962193393.db2.gz	QVSAENDYANRYBL-AWEZNQCLSA-N	-1	0	319.317	0.034	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cnoc2C2CC2)c(=O)[n-]c1=O	ZINC001364108155	962484773	/nfs/dbraw/zinc/48/47/73/962484773.db2.gz	NJASOPQCVLKFOL-UHFFFAOYSA-N	-1	0	315.289	0.116	20	30		DCEDRM
CCn1[n-]nnc1=NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1	ZINC001364120620	962510202	/nfs/dbraw/zinc/51/02/02/962510202.db2.gz	AQPBLUYXYAQDGR-LBPRGKRZSA-N	-1	0	315.337	0.184	20	30		DCEDRM
Cc1ncc2c(n1)CC[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C2	ZINC001364152512	962567886	/nfs/dbraw/zinc/56/78/86/962567886.db2.gz	RBXUOHDUSBXHBX-JTQLQIEISA-N	-1	0	312.333	0.013	20	30		DCEDRM
C#CCC1(C(=O)N(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001573303774	962681441	/nfs/dbraw/zinc/68/14/41/962681441.db2.gz	SLFHYUQHRZTIIK-RYUDHWBXSA-N	-1	0	306.362	0.475	20	30		DCEDRM
C#CCC1(C(=O)N2CC[C@H](NC(=O)CNC(=O)[O-])C2)CCC1	ZINC001573304201	962686775	/nfs/dbraw/zinc/68/67/75/962686775.db2.gz	ZOLSSOCYEFTJGV-NSHDSACASA-N	-1	0	307.350	0.165	20	30		DCEDRM
C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001573311066	962693090	/nfs/dbraw/zinc/69/30/90/962693090.db2.gz	HIAMFYHJIIPNLS-OLZOCXBDSA-N	-1	0	316.313	0.620	20	30		DCEDRM
C=CCOC[C@H](NC(=O)/C=C(/C)CN1CCOCC1)C(=O)[O-]	ZINC001354052877	962705425	/nfs/dbraw/zinc/70/54/25/962705425.db2.gz	WFTBYCOKQOZYOI-SUIFULHWSA-N	-1	0	312.366	0.037	20	30		DCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	ZINC001354246884	962729946	/nfs/dbraw/zinc/72/99/46/962729946.db2.gz	JKLJFVYLHYFQAO-FPMFFAJLSA-N	-1	0	320.389	0.980	20	30		DCEDRM
C=C(Br)CN1CC([C@@H](C)NC(=O)CNC(=O)[O-])C1	ZINC001573313792	962736745	/nfs/dbraw/zinc/73/67/45/962736745.db2.gz	QWOMHHBMGRVKRD-MRVPVSSYSA-N	-1	0	320.187	0.599	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)N(CC)Cc1ccccc1)C(=O)[O-]	ZINC000274956598	962810404	/nfs/dbraw/zinc/81/04/04/962810404.db2.gz	HAHCWMLKDMJDOI-CYBMUJFWSA-N	-1	0	310.375	0.819	20	30		DCEDRM
CC(C)[C@@]1(C)C[C@@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364295812	962844634	/nfs/dbraw/zinc/84/46/34/962844634.db2.gz	NFCVXEFLMQLZIF-XHDPSFHLSA-N	-1	0	319.365	0.554	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc2c(cc1C)OCO2)C(=O)[O-]	ZINC000279938583	962857438	/nfs/dbraw/zinc/85/74/38/962857438.db2.gz	GTQWXPWQKVXZDV-VIFPVBQESA-N	-1	0	311.315	0.479	20	30		DCEDRM
C=CCOCC(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CCC1	ZINC001573369340	963096086	/nfs/dbraw/zinc/09/60/86/963096086.db2.gz	QRHMVIRGQDQVRE-UHFFFAOYSA-N	-1	0	320.349	0.828	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001588440210	964035072	/nfs/dbraw/zinc/03/50/72/964035072.db2.gz	PVLYXZCZOCTCSU-UHFFFAOYSA-N	-1	0	312.366	0.455	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H](C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001382598928	967530642	/nfs/dbraw/zinc/53/06/42/967530642.db2.gz	LFQAMKOKZZQDNT-UWVGGRQHSA-N	-1	0	306.370	0.387	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H](C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001382598999	967531912	/nfs/dbraw/zinc/53/19/12/967531912.db2.gz	LFQAMKOKZZQDNT-ZJUUUORDSA-N	-1	0	306.370	0.387	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(F)cc(F)cc1F	ZINC000092480054	967595496	/nfs/dbraw/zinc/59/54/96/967595496.db2.gz	XYMIPNVTPDVLLS-UHFFFAOYSA-N	-1	0	307.249	0.812	20	30		DCEDRM
C[C@H](CN(C)CCS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000163336256	967660820	/nfs/dbraw/zinc/66/08/20/967660820.db2.gz	HLNFPVGISSKIRC-LLVKDONJSA-N	-1	0	310.375	0.984	20	30		DCEDRM
C[C@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])n1cnc(C#N)n1	ZINC001609696221	970454870	/nfs/dbraw/zinc/45/48/70/970454870.db2.gz	CWTZCODPDDAQBQ-MNOVXSKESA-N	-1	0	305.338	0.957	20	30		DCEDRM
C[C@H](C(=O)[O-])N(C(=O)C(=O)Nc1ccc(C#N)cn1)C1CC1	ZINC001609706556	970484686	/nfs/dbraw/zinc/48/46/86/970484686.db2.gz	YDXMYKNKLPROKU-MRVPVSSYSA-N	-1	0	302.290	0.356	20	30		DCEDRM
N#CCSc1ccccc1C(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC000395335641	972791159	/nfs/dbraw/zinc/79/11/59/972791159.db2.gz	WFIBBCXZKNCJGA-AWEZNQCLSA-N	-1	0	306.343	0.964	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])nn1CCC#N	ZINC001605194748	972920879	/nfs/dbraw/zinc/92/08/79/972920879.db2.gz	KJHLQVPQALJTLL-SNVBAGLBSA-N	-1	0	319.321	0.119	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001604304194	972954967	/nfs/dbraw/zinc/95/49/67/972954967.db2.gz	NBIIPEUIETWNOV-IHWYPQMZSA-N	-1	0	306.274	0.906	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(c2cccc(C#N)c2[N+](=O)[O-])CCO1	ZINC001604563754	973619784	/nfs/dbraw/zinc/61/97/84/973619784.db2.gz	BZIJFIKOYOTZFR-AWEZNQCLSA-N	-1	0	321.289	0.773	20	30		DCEDRM
N#CC1(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCCC1	ZINC001605577072	973854174	/nfs/dbraw/zinc/85/41/74/973854174.db2.gz	WMVVLBJQHAMYDL-NSHDSACASA-N	-1	0	307.350	0.510	20	30		DCEDRM
COc1cc(C#N)ccc1CN1CCN(C(=O)C(=O)[O-])CC1	ZINC001604684795	973877404	/nfs/dbraw/zinc/87/74/04/973877404.db2.gz	DEAFVIPYUDVXPX-UHFFFAOYSA-N	-1	0	303.318	0.296	20	30		DCEDRM
N#CCc1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1	ZINC001605601275	973902189	/nfs/dbraw/zinc/90/21/89/973902189.db2.gz	GTXBOABNNJPSAF-LBPRGKRZSA-N	-1	0	322.342	0.076	20	30		DCEDRM
CCN(C(=O)C(=O)Nc1ccn(CCC#N)n1)[C@@H](C)C(=O)[O-]	ZINC001603705840	974111259	/nfs/dbraw/zinc/11/12/59/974111259.db2.gz	OILSERSQMDMKJU-VIFPVBQESA-N	-1	0	307.310	0.057	20	30		DCEDRM
CC(C)n1cnc(S(=O)(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001592145562	977004391	/nfs/dbraw/zinc/00/43/91/977004391.db2.gz	NOXIRRIJAHEGCE-UHFFFAOYSA-N	-1	0	300.340	0.453	20	30		DCEDRM
C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(C#N)ccn2)CC1	ZINC001592415823	978014925	/nfs/dbraw/zinc/01/49/25/978014925.db2.gz	PSHXKDCYJFIOBX-LLVKDONJSA-N	-1	0	302.334	0.574	20	30		DCEDRM
C[C@@H](CCNC(=O)CSCC#N)Nc1ncc(C(=O)[O-])cn1	ZINC001592512861	978339892	/nfs/dbraw/zinc/33/98/92/978339892.db2.gz	HXWZUKAFSXBOBZ-VIFPVBQESA-N	-1	0	323.378	0.738	20	30		DCEDRM
C[C@@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)C#CC1CC1	ZINC001592594250	978529506	/nfs/dbraw/zinc/52/95/06/978529506.db2.gz	YWNBQGWBYHNONX-JTQLQIEISA-N	-1	0	302.334	0.529	20	30		DCEDRM
C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)CSCC#N	ZINC001592729604	979243841	/nfs/dbraw/zinc/24/38/41/979243841.db2.gz	NWFJYPZUSHAKRO-VIFPVBQESA-N	-1	0	323.378	0.112	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(CCCNC(=O)[C@@H](C)C#N)C(C)C)c1[O-]	ZINC001529950806	1014641387	/nfs/dbraw/zinc/64/13/87/1014641387.db2.gz	APHOKTHVXDQVQQ-JTQLQIEISA-N	-1	0	321.381	0.940	20	30		DCEDRM
CC[C@H](C(=O)[O-])C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC001594745030	981628722	/nfs/dbraw/zinc/62/87/22/981628722.db2.gz	IOPJNZQVFNEELN-LBPRGKRZSA-N	-1	0	302.334	0.713	20	30		DCEDRM
Cc1cc(=O)n2nc(NC(=O)c3cc(C)c(C#N)cn3)[n-]c2n1	ZINC001524233256	1014901669	/nfs/dbraw/zinc/90/16/69/1014901669.db2.gz	DXOJXGWKIQDLIX-UHFFFAOYSA-N	-1	0	309.289	0.553	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC	ZINC001588368082	983303834	/nfs/dbraw/zinc/30/38/34/983303834.db2.gz	GMRXSHOVGHSQQW-SECBINFHSA-N	-1	0	304.302	0.812	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1	ZINC001588371028	983323636	/nfs/dbraw/zinc/32/36/36/983323636.db2.gz	UKZRJSXOHAIRLN-JTQLQIEISA-N	-1	0	302.290	0.237	20	30		DCEDRM
C#C[C@H](CO)NC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1	ZINC001588371029	983323826	/nfs/dbraw/zinc/32/38/26/983323826.db2.gz	UKZRJSXOHAIRLN-SNVBAGLBSA-N	-1	0	302.290	0.237	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1scnc1C(=O)[O-])[C@H]1CCCO1	ZINC001588376533	983351717	/nfs/dbraw/zinc/35/17/17/983351717.db2.gz	UZOHAXXAWQRYMD-HTQZYQBOSA-N	-1	0	316.360	0.300	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C1CCOCC1	ZINC001588377071	983355353	/nfs/dbraw/zinc/35/53/53/983355353.db2.gz	ISXAPVNOVFLSAC-NSHDSACASA-N	-1	0	312.347	0.420	20	30		DCEDRM
C#CC1(O)CCN(C(=O)NCc2cc(C(=O)[O-])c(C)o2)CC1	ZINC001588379767	983365468	/nfs/dbraw/zinc/36/54/68/983365468.db2.gz	QPQYXXSJQCHBPW-UHFFFAOYSA-N	-1	0	306.318	0.956	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC001588390483	983394380	/nfs/dbraw/zinc/39/43/80/983394380.db2.gz	VZUUFYUAVIMITI-SECBINFHSA-N	-1	0	324.358	0.929	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@]1(C)Oc2ccccc2NC1=O)C(=O)[O-]	ZINC001588399433	983415780	/nfs/dbraw/zinc/41/57/80/983415780.db2.gz	UTCJYNNKZXFVNV-BMIGLBTASA-N	-1	0	302.286	0.369	20	30		DCEDRM
C#CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-]	ZINC001588404397	983417907	/nfs/dbraw/zinc/41/79/07/983417907.db2.gz	BADMWRYYJGTINI-NSHDSACASA-N	-1	0	306.274	0.875	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC001588404405	983417970	/nfs/dbraw/zinc/41/79/70/983417970.db2.gz	BCWWIJYAZDFVAB-LLVKDONJSA-N	-1	0	305.290	0.990	20	30		DCEDRM
C#CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(=O)[O-]	ZINC001588405970	983423510	/nfs/dbraw/zinc/42/35/10/983423510.db2.gz	VVLXFPFAWQRVAY-SNVBAGLBSA-N	-1	0	310.237	0.705	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(C=O)c(OC)cc1OC)C(=O)[O-]	ZINC001588414792	983435171	/nfs/dbraw/zinc/43/51/71/983435171.db2.gz	ZYLDGTVXUAQHTP-LLVKDONJSA-N	-1	0	305.286	0.723	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)C(=O)[O-]	ZINC001588415718	983435674	/nfs/dbraw/zinc/43/56/74/983435674.db2.gz	FYSRKUJRQBGSMK-LLVKDONJSA-N	-1	0	302.265	0.613	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)N1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	ZINC001588423355	983452360	/nfs/dbraw/zinc/45/23/60/983452360.db2.gz	DDRJDBASNYOZIR-XQQFMLRXSA-N	-1	0	314.407	0.809	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)Nc2nn(C)cc2C(=O)[O-])C1	ZINC001588431952	983466240	/nfs/dbraw/zinc/46/62/40/983466240.db2.gz	SMNBNLWHFJGOBS-JTQLQIEISA-N	-1	0	318.333	0.319	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)C1	ZINC001588432014	983466905	/nfs/dbraw/zinc/46/69/05/983466905.db2.gz	UXDJDJUGXJJZAM-DYVFJYSZSA-N	-1	0	320.389	0.962	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)NCc1ccccc1CC(=O)[O-]	ZINC001588435234	983475217	/nfs/dbraw/zinc/47/52/17/983475217.db2.gz	HMUCKHPMKMKMKW-AWEZNQCLSA-N	-1	0	304.346	0.887	20	30		DCEDRM
C#CCCS(=O)(=O)N[C@]1(C(=O)[O-])C[C@H](OCC)C1(C)C	ZINC001588457803	983482419	/nfs/dbraw/zinc/48/24/19/983482419.db2.gz	HUDIAVGNECVXSN-GWCFXTLKSA-N	-1	0	303.380	0.588	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001588464804	983494512	/nfs/dbraw/zinc/49/45/12/983494512.db2.gz	MGUVXHRBVIZHTP-UHFFFAOYSA-N	-1	0	314.297	0.184	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC001588465911	983496981	/nfs/dbraw/zinc/49/69/81/983496981.db2.gz	NDOCMDDZFGBOES-UHFFFAOYSA-N	-1	0	314.344	0.602	20	30		DCEDRM
C#CCNC(=O)C1CCN([C@@H](C)c2nc(C(=O)[O-])co2)CC1	ZINC001588479445	983519529	/nfs/dbraw/zinc/51/95/29/983519529.db2.gz	OKCRJYWQTVCOMD-JTQLQIEISA-N	-1	0	305.334	0.895	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)[C@H]2C[C@H]2C(=O)[O-])n1	ZINC001588510664	983556624	/nfs/dbraw/zinc/55/66/24/983556624.db2.gz	JUFOLRDMMZAMMM-QWHCGFSZSA-N	-1	0	305.334	0.212	20	30		DCEDRM
C#Cc1cccc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1	ZINC001588518146	983568210	/nfs/dbraw/zinc/56/82/10/983568210.db2.gz	SFPIQGRGKIYSGS-KGLIPLIRSA-N	-1	0	302.330	0.645	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)c1	ZINC001588523726	983573358	/nfs/dbraw/zinc/57/33/58/983573358.db2.gz	WFEZWDORCKQBGM-MRXNPFEDSA-N	-1	0	316.313	0.309	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CNC(=O)c1ncccc1O)C(=O)[O-]	ZINC001588542472	983608425	/nfs/dbraw/zinc/60/84/25/983608425.db2.gz	IAWCLJLKYJYXSE-VIFPVBQESA-N	-1	0	307.306	0.053	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CNC(=O)c1ccccc1OC)C(=O)[O-]	ZINC001588542749	983609564	/nfs/dbraw/zinc/60/95/64/983609564.db2.gz	PVFUIRVIHFIEDL-GFCCVEGCSA-N	-1	0	320.345	0.961	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)[O-]	ZINC001588543080	983610736	/nfs/dbraw/zinc/61/07/36/983610736.db2.gz	WPJVSOKHLSNDII-BONVTDFDSA-N	-1	0	323.349	0.243	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588543743	983612317	/nfs/dbraw/zinc/61/23/17/983612317.db2.gz	NDXNCKMZUJAVJA-VHSXEESVSA-N	-1	0	316.354	0.408	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1ccc(-n2cncn2)nc1)C(=O)[O-]	ZINC001588546336	983615223	/nfs/dbraw/zinc/61/52/23/983615223.db2.gz	HFOLZODLBOAABP-NSHDSACASA-N	-1	0	301.306	0.812	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC001596231546	983626881	/nfs/dbraw/zinc/62/68/81/983626881.db2.gz	PQQNNALRQRYSIN-ZYHUDNBSSA-N	-1	0	317.411	0.803	20	30		DCEDRM
C=C(C)Cn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1[C@]1(O)CCOC1	ZINC001588598908	983686903	/nfs/dbraw/zinc/68/69/03/983686903.db2.gz	RWRQORMZMKKYJZ-ABAIWWIYSA-N	-1	0	322.365	0.373	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588599026	983687858	/nfs/dbraw/zinc/68/78/58/983687858.db2.gz	FANLARIGSGBNMD-VPWBDBDCSA-N	-1	0	309.362	0.917	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC001588615015	983709796	/nfs/dbraw/zinc/70/97/96/983709796.db2.gz	HLXGTOIYSZZPCO-UHFFFAOYSA-N	-1	0	306.322	0.016	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CSC[C@@H]1C(=O)NCC1CC1	ZINC001588618784	983713036	/nfs/dbraw/zinc/71/30/36/983713036.db2.gz	AAMFQQPKLOUYGN-LLVKDONJSA-N	-1	0	312.391	0.835	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](Cc1ccncc1)C(=O)OC	ZINC001588623104	983726401	/nfs/dbraw/zinc/72/64/01/983726401.db2.gz	JQHLXDLVLREXAV-ZDUSSCGKSA-N	-1	0	320.345	0.951	20	30		DCEDRM
C=C1CCC(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1	ZINC001588649984	983771325	/nfs/dbraw/zinc/77/13/25/983771325.db2.gz	QMXLTVRKTDUCME-UHFFFAOYSA-N	-1	0	313.379	0.992	20	30		DCEDRM
CCN(CCNc1cc(C)ncc1C#N)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001596339423	983784069	/nfs/dbraw/zinc/78/40/69/983784069.db2.gz	KKLFTRFWXKXJSJ-OLZOCXBDSA-N	-1	0	316.361	0.665	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1	ZINC001588669399	983812189	/nfs/dbraw/zinc/81/21/89/983812189.db2.gz	KOJDNAAPOCFNIJ-KBPBESRZSA-N	-1	0	309.410	0.644	20	30		DCEDRM
C=CC(C)(C)CCNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588677101	983832994	/nfs/dbraw/zinc/83/29/94/983832994.db2.gz	QNOQYXXJLUTLPC-NSHDSACASA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1	ZINC001588681559	983840856	/nfs/dbraw/zinc/84/08/56/983840856.db2.gz	YYXDIQKVKPXJIK-IAQYHMDHSA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=C[C@](C)(O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001588682977	983846493	/nfs/dbraw/zinc/84/64/93/983846493.db2.gz	SQTAQBSUPRQAQP-HNNXBMFYSA-N	-1	0	306.318	0.305	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC/C=C\CNc1ncc(C(=O)[O-])cn1	ZINC001588684030	983854103	/nfs/dbraw/zinc/85/41/03/983854103.db2.gz	JIHQQEIHKCHJHI-FOSCPCJNSA-N	-1	0	320.349	0.586	20	30		DCEDRM
C=C[C@@H](C)ONC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001588687671	983871820	/nfs/dbraw/zinc/87/18/20/983871820.db2.gz	RBLWWYXBZBNABJ-SECBINFHSA-N	-1	0	309.326	0.829	20	30		DCEDRM
C=C[C@H](O)C(=O)O[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001588704256	983923536	/nfs/dbraw/zinc/92/35/36/983923536.db2.gz	DCAWNJNBABWJPI-SKDRFNHKSA-N	-1	0	307.302	0.480	20	30		DCEDRM
C=CC[C@H](C(=O)OC)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588731170	984005841	/nfs/dbraw/zinc/00/58/41/984005841.db2.gz	DMBBYEZMDHXBPM-CMPLNLGQSA-N	-1	0	308.338	0.731	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1cc(OC)ccc1C(=O)[O-]	ZINC001588743660	984038427	/nfs/dbraw/zinc/03/84/27/984038427.db2.gz	BJHPCLUYDPOFBV-VIFPVBQESA-N	-1	0	315.347	0.609	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC)cc1C(=O)[O-]	ZINC001588743725	984039589	/nfs/dbraw/zinc/03/95/89/984039589.db2.gz	CDSYENYVSSDDPH-NSHDSACASA-N	-1	0	320.345	0.939	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001588744950	984047602	/nfs/dbraw/zinc/04/76/02/984047602.db2.gz	SJIVTXAJHKDWBI-LLVKDONJSA-N	-1	0	322.317	0.142	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001588745068	984048955	/nfs/dbraw/zinc/04/89/55/984048955.db2.gz	USMPKJUOLXYWAG-JTQLQIEISA-N	-1	0	308.334	0.820	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1occc1C(=O)[O-])C(=O)OCC	ZINC001588749662	984067083	/nfs/dbraw/zinc/06/70/83/984067083.db2.gz	OJPWGUSVAWAHEU-VIFPVBQESA-N	-1	0	317.319	0.764	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-]	ZINC001588753788	984088677	/nfs/dbraw/zinc/08/86/77/984088677.db2.gz	NJDBMNXQSHQSJI-UWVGGRQHSA-N	-1	0	305.352	0.373	20	30		DCEDRM
C=CCCC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	ZINC001588773629	984148300	/nfs/dbraw/zinc/14/83/00/984148300.db2.gz	BWXPNRHCPLTWNQ-CVZZAPKMSA-N	-1	0	315.391	0.879	20	30		DCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588782700	984174216	/nfs/dbraw/zinc/17/42/16/984174216.db2.gz	KRHDKBBVVHMXSR-NHYWBVRUSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-]	ZINC001588797764	984231063	/nfs/dbraw/zinc/23/10/63/984231063.db2.gz	LQVBITOWLUEXHM-JTQLQIEISA-N	-1	0	321.395	0.915	20	30		DCEDRM
C=CCCn1cc(CNS(=O)(=O)CC2(C(=O)[O-])CC2)nn1	ZINC001588819963	984279884	/nfs/dbraw/zinc/27/98/84/984279884.db2.gz	KSAAWEZDBMWESK-UHFFFAOYSA-N	-1	0	314.367	0.138	20	30		DCEDRM
C=CCN(C(=O)c1ccc(C(=O)[O-])[nH]1)[C@H]1CCS(=O)(=O)C1	ZINC001588820812	984286799	/nfs/dbraw/zinc/28/67/99/984286799.db2.gz	UBFYRJGZQXKXOF-VIFPVBQESA-N	-1	0	312.347	0.528	20	30		DCEDRM
C=CCN(CC=C)C(=O)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O	ZINC001588825509	984301453	/nfs/dbraw/zinc/30/14/53/984301453.db2.gz	RRTMBWBSHFWWQX-UHFFFAOYSA-N	-1	0	321.289	0.655	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)N2CC(O)(C(=O)[O-])C2)cc1	ZINC001588843630	984352797	/nfs/dbraw/zinc/35/27/97/984352797.db2.gz	BXSLYMZRJHNVGC-UHFFFAOYSA-N	-1	0	319.317	0.266	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C[C@H](C)CC(=O)[O-]	ZINC001588843821	984354577	/nfs/dbraw/zinc/35/45/77/984354577.db2.gz	HRUOMLPDXQJGKH-RKDXNWHRSA-N	-1	0	300.311	0.431	20	30		DCEDRM
C=CCNC(=O)CN[C@H](C(=O)[O-])c1ccc(OC)cc1OC	ZINC001588844879	984361038	/nfs/dbraw/zinc/36/10/38/984361038.db2.gz	YGULCFWLAGHGCF-AWEZNQCLSA-N	-1	0	308.334	0.721	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1	ZINC001588849632	984373757	/nfs/dbraw/zinc/37/37/57/984373757.db2.gz	CGAKUNWIIOEETI-LLVKDONJSA-N	-1	0	303.380	0.848	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC001588850830	984380753	/nfs/dbraw/zinc/38/07/53/984380753.db2.gz	GZJOOOHSQDSSAY-LBPRGKRZSA-N	-1	0	317.297	0.539	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(NC(N)=O)cc1)C(=O)[O-]	ZINC001588862356	984418477	/nfs/dbraw/zinc/41/84/77/984418477.db2.gz	WIILMIKSYXLKNI-LLVKDONJSA-N	-1	0	307.306	0.563	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001588866176	984422890	/nfs/dbraw/zinc/42/28/90/984422890.db2.gz	ARXLNEBJIXUMBC-LRDDRELGSA-N	-1	0	324.377	0.409	20	30		DCEDRM
C=CCOCCCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588867131	984430409	/nfs/dbraw/zinc/43/04/09/984430409.db2.gz	ZTCIYIGSBITKCX-SWLSCSKDSA-N	-1	0	312.366	0.712	20	30		DCEDRM
C=CCn1c(-c2ncc[nH]2)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588891933	984490605	/nfs/dbraw/zinc/49/06/05/984490605.db2.gz	XLQQJXGFAZYFDB-ZDUSSCGKSA-N	-1	0	306.301	0.857	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1	ZINC001524677782	1015038841	/nfs/dbraw/zinc/03/88/41/1015038841.db2.gz	OXDQUIHMJHZTIF-LBPRGKRZSA-N	-1	0	314.345	0.852	20	30		DCEDRM
C=CCn1c(COCC2CC2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588901515	984524893	/nfs/dbraw/zinc/52/48/93/984524893.db2.gz	WTFZRTLZRPEMNO-GFCCVEGCSA-N	-1	0	322.365	0.681	20	30		DCEDRM
C=CCn1c(N2C[C@H](C)O[C@H](C(=O)[O-])C2)nnc1C1(OC)CC1	ZINC001588904944	984534442	/nfs/dbraw/zinc/53/44/42/984534442.db2.gz	JNIMLMFEMDFFRK-QWRGUYRKSA-N	-1	0	322.365	0.778	20	30		DCEDRM
C=CCn1c(N2C[C@@H](C)[C@H](C(=O)[O-])C2)nnc1[C@@]1(O)CCOC1	ZINC001588905004	984534504	/nfs/dbraw/zinc/53/45/04/984534504.db2.gz	LTGKZBWLPUGEGB-UEKVPHQBSA-N	-1	0	322.365	0.229	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC001588916995	984564595	/nfs/dbraw/zinc/56/45/95/984564595.db2.gz	KHHVQFRQZQVFNO-WYUUTHIRSA-N	-1	0	311.334	0.442	20	30		DCEDRM
CC#CCCNC(=O)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC001588926958	984595241	/nfs/dbraw/zinc/59/52/41/984595241.db2.gz	FDWHUWHLUYOLTK-UHFFFAOYSA-N	-1	0	318.329	0.999	20	30		DCEDRM
CC#CCCCC(=O)NCCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588927414	984598402	/nfs/dbraw/zinc/59/84/02/984598402.db2.gz	WZHGBUIXJMTJNQ-QWHCGFSZSA-N	-1	0	308.378	0.865	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)Nc1ccnc(C#N)c1)C(=O)[O-]	ZINC001599899163	984791568	/nfs/dbraw/zinc/79/15/68/984791568.db2.gz	GJWXKGBBNXDJJP-YUMQZZPRSA-N	-1	0	305.294	0.053	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C[C@]1(C)C(=O)[O-]	ZINC001599910455	984978393	/nfs/dbraw/zinc/97/83/93/984978393.db2.gz	VTTQJZBNJXRSLC-HERUPUMHSA-N	-1	0	311.313	0.020	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001599942363	985470636	/nfs/dbraw/zinc/47/06/36/985470636.db2.gz	GWWJUNSDWRNHAY-CQSZACIVSA-N	-1	0	302.290	0.640	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@H]1CNc1ccnc(C(=O)[O-])n1	ZINC001589329208	986162404	/nfs/dbraw/zinc/16/24/04/986162404.db2.gz	LJTHOOXCGJUGIK-ZJUUUORDSA-N	-1	0	303.322	0.159	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@@H](Nc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001589329172	986162470	/nfs/dbraw/zinc/16/24/70/986162470.db2.gz	KTYGQLSPFZKVHN-WCBMZHEXSA-N	-1	0	303.322	0.063	20	30		DCEDRM
Cc1c(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cnn1CCC#N	ZINC001599982210	986179244	/nfs/dbraw/zinc/17/92/44/986179244.db2.gz	UYLOQERLUNTAAB-LBPRGKRZSA-N	-1	0	316.321	0.254	20	30		DCEDRM
C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@](O)(CC#N)C1	ZINC001589350723	986310965	/nfs/dbraw/zinc/31/09/65/986310965.db2.gz	SLODPAYSYWVBGG-ABAIWWIYSA-N	-1	0	309.366	0.049	20	30		DCEDRM
CC[C@@H](C#N)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001594722130	987209478	/nfs/dbraw/zinc/20/94/78/987209478.db2.gz	JLYUPLKCYPQCDJ-NSHDSACASA-N	-1	0	303.318	0.918	20	30		DCEDRM
CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCC(=O)NCC#N)C1	ZINC001589610854	987459570	/nfs/dbraw/zinc/45/95/70/987459570.db2.gz	WWCIPPYVYRBWFD-JTQLQIEISA-N	-1	0	310.354	0.159	20	30		DCEDRM
CC(C)(C)C#CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001589684974	987724665	/nfs/dbraw/zinc/72/46/65/987724665.db2.gz	SLRIFCAZVKVLKU-SSKLVLDBSA-N	-1	0	318.373	0.330	20	30		DCEDRM
C[C@@H]1CN(C(=O)CNc2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599853195	989046052	/nfs/dbraw/zinc/04/60/52/989046052.db2.gz	AIBWDRGLQFKFGM-MFKMUULPSA-N	-1	0	303.318	0.671	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)C[C@@H](C(=O)[O-])O1	ZINC001599868395	989307960	/nfs/dbraw/zinc/30/79/60/989307960.db2.gz	MGRNUHDJWMTUQU-APPZFPTMSA-N	-1	0	300.292	0.014	20	30		DCEDRM
CN(C(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001597990368	990081360	/nfs/dbraw/zinc/08/13/60/990081360.db2.gz	MKJGZJPSBOTLGP-DKTWLAJQSA-N	-1	0	319.292	0.957	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1	ZINC001598287807	991191057	/nfs/dbraw/zinc/19/10/57/991191057.db2.gz	MGYVYCQSTOCQQX-MRXNPFEDSA-N	-1	0	317.345	0.988	20	30		DCEDRM
CC(C)C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H](C)C#N	ZINC001591163085	991929281	/nfs/dbraw/zinc/92/92/81/991929281.db2.gz	XZHYRMRQWUNJIE-GHMZBOCLSA-N	-1	0	319.365	0.699	20	30		DCEDRM
CN(CCCCO)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598476365	992083982	/nfs/dbraw/zinc/08/39/82/992083982.db2.gz	TUIAZASVAAOFKF-UHFFFAOYSA-N	-1	0	312.347	0.649	20	30		DCEDRM
CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccnc(C#N)n1	ZINC001598478933	992118358	/nfs/dbraw/zinc/11/83/58/992118358.db2.gz	DJFAURFDZZBXCS-NXEZZACHSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CN(CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)C#CC(C)(C)C	ZINC001598485948	992206900	/nfs/dbraw/zinc/20/69/00/992206900.db2.gz	HWGJZDNPLIFQHE-NEPJUHHUSA-N	-1	0	308.378	0.673	20	30		DCEDRM
CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cccc(F)c1C#N	ZINC001598489821	992270838	/nfs/dbraw/zinc/27/08/38/992270838.db2.gz	AFBQZXKVUNVTRE-VHSXEESVSA-N	-1	0	305.309	0.970	20	30		DCEDRM
C[S@@](=O)c1ccc(CC(=O)N(CC#N)CCC(=O)[O-])cc1	ZINC001599779284	992344889	/nfs/dbraw/zinc/34/48/89/992344889.db2.gz	VOLJSIRRWLZRQP-OAQYLSRUSA-N	-1	0	308.359	0.793	20	30		DCEDRM
C#CCN1CCC[C@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C1	ZINC001464498295	1015912634	/nfs/dbraw/zinc/91/26/34/1015912634.db2.gz	RAKZWQNMZOFZAM-NSHDSACASA-N	-1	0	324.362	0.366	20	30		DCEDRM
C[C@H](OC(=O)CCc1ccc(C#N)cc1)C(=O)NCC(=O)[O-]	ZINC001593526378	995567589	/nfs/dbraw/zinc/56/75/89/995567589.db2.gz	VPZOHPMKDBYZPC-JTQLQIEISA-N	-1	0	304.302	0.623	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C#N)n2C)C1	ZINC001598769029	995865587	/nfs/dbraw/zinc/86/55/87/995865587.db2.gz	COYJXASCFOLIJA-SKDRFNHKSA-N	-1	0	319.317	0.375	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccnc(C#N)c1	ZINC001598770789	995881856	/nfs/dbraw/zinc/88/18/56/995881856.db2.gz	QIZXOGAYHYIQKO-JQWIXIFHSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(Cc2cc(C#N)ccn2)C1	ZINC001598775383	995924182	/nfs/dbraw/zinc/92/41/82/995924182.db2.gz	IFEWWQGGPFEOCP-DGCLKSJQSA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2C#N)C[C@@H]1C(=O)[O-]	ZINC001598820810	996324760	/nfs/dbraw/zinc/32/47/60/996324760.db2.gz	IEXLCWLPFNUPDN-WDEREUQCSA-N	-1	0	320.276	0.643	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1	ZINC001593739300	996352275	/nfs/dbraw/zinc/35/22/75/996352275.db2.gz	FSZVSWJWMGNBHD-MLGOLLRUSA-N	-1	0	321.377	0.756	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1C(=O)[O-]	ZINC001598829763	996423145	/nfs/dbraw/zinc/42/31/45/996423145.db2.gz	VLIPOMYMISZQQO-DTWKUNHWSA-N	-1	0	309.709	0.917	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN(c2cccc(S(N)(=O)=O)c2C#N)C1	ZINC001593779135	996488266	/nfs/dbraw/zinc/48/82/66/996488266.db2.gz	SVTJNZGTNRLOBG-AWEZNQCLSA-N	-1	0	323.374	0.897	20	30		DCEDRM
COC(=O)C[C@@H](NC(=O)/C=C/C(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC001598836688	996491034	/nfs/dbraw/zinc/49/10/34/996491034.db2.gz	GMSCODYIRNVUHV-ABZNLYFFSA-N	-1	0	319.313	0.866	20	30		DCEDRM
COC(=O)CN(CC#N)S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC001598860487	996670739	/nfs/dbraw/zinc/67/07/39/996670739.db2.gz	DDLJCXAUEJKELH-UHFFFAOYSA-N	-1	0	318.332	0.134	20	30		DCEDRM
COC(=O)CN(CCOc1ccc(C#N)cc1OC)CC(=O)[O-]	ZINC001598862500	996686280	/nfs/dbraw/zinc/68/62/80/996686280.db2.gz	APBKUVDOXBVONQ-UHFFFAOYSA-N	-1	0	322.317	0.505	20	30		DCEDRM
COC(=O)COCC(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001598866116	996706672	/nfs/dbraw/zinc/70/66/72/996706672.db2.gz	PEZNBHLOATUHKY-UHFFFAOYSA-N	-1	0	307.258	0.489	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(CC(=O)NC2(C#N)CCCCC2)C1	ZINC001599076156	996870386	/nfs/dbraw/zinc/87/03/86/996870386.db2.gz	INVOSQZBMHQEBC-OAHLLOKOSA-N	-1	0	309.366	0.505	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)c2cc(C)c(C#N)cn2)[C@H](C(=O)[O-])C1	ZINC001599121229	997742277	/nfs/dbraw/zinc/74/22/77/997742277.db2.gz	UIZQGALEKLNAQQ-YPMHNXCESA-N	-1	0	303.318	0.966	20	30		DCEDRM
C#C[C@H](C)NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O	ZINC001467368205	1016161029	/nfs/dbraw/zinc/16/10/29/1016161029.db2.gz	MBTVHEPZEJNQLX-VIFPVBQESA-N	-1	0	301.277	0.625	20	30		DCEDRM
N#C[C@@]1(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)CCCOC1	ZINC001467398928	1016163166	/nfs/dbraw/zinc/16/31/66/1016163166.db2.gz	NXDONLSWYRNWIZ-HZMBPMFUSA-N	-1	0	306.322	0.802	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)Cc1csc(C#N)c1	ZINC001599235071	997930666	/nfs/dbraw/zinc/93/06/66/997930666.db2.gz	KACQKZCQZIQFJO-UHFFFAOYSA-N	-1	0	318.376	0.483	20	30		DCEDRM
COCCN1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1=O	ZINC001599243322	998088051	/nfs/dbraw/zinc/08/80/51/998088051.db2.gz	PYJAENIAZKUGFU-AWEZNQCLSA-N	-1	0	303.318	0.432	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC001594141548	998444879	/nfs/dbraw/zinc/44/48/79/998444879.db2.gz	KRKGPVAADPJSIN-NXEZZACHSA-N	-1	0	319.321	0.057	20	30		DCEDRM
C=CCO[N-]C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F	ZINC001468109654	1016225041	/nfs/dbraw/zinc/22/50/41/1016225041.db2.gz	RLJJWQDIYARXEW-LLVKDONJSA-N	-1	0	309.297	0.033	20	30		DCEDRM
C[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)CN1C(=O)C#CC1CC1	ZINC001594265439	999027550	/nfs/dbraw/zinc/02/75/50/999027550.db2.gz	GNRWPTWZRUDPTJ-GWCFXTLKSA-N	-1	0	314.345	0.990	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)c(Cl)n2)C1	ZINC001599073033	999347001	/nfs/dbraw/zinc/34/70/01/999347001.db2.gz	DBTQTQQVEWOTML-ZDUSSCGKSA-N	-1	0	309.709	0.922	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2CCCC23CC3)c(=O)[n-]c1=O	ZINC001418838573	1000562843	/nfs/dbraw/zinc/56/28/43/1000562843.db2.gz	JUGGTVXPVJUGHJ-NSHDSACASA-N	-1	0	302.334	0.517	20	30		DCEDRM
Cc1ncc([C@H](C)NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001418898814	1000599110	/nfs/dbraw/zinc/59/91/10/1000599110.db2.gz	XFFZEOPYFWRUTF-ZETCQYMHSA-N	-1	0	319.346	0.463	20	30		DCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCC[C@H]1C#N	ZINC001471050318	1016515247	/nfs/dbraw/zinc/51/52/47/1016515247.db2.gz	LHWAZACJCXUMHX-CMPLNLGQSA-N	-1	0	315.333	0.361	20	30		DCEDRM
C=CC(C)(C)CCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001471717743	1016640782	/nfs/dbraw/zinc/64/07/82/1016640782.db2.gz	CWHSGRYJOHGJNO-UHFFFAOYSA-N	-1	0	304.350	0.929	20	30		DCEDRM
COC(=O)C1CN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C1	ZINC001420606044	1002681148	/nfs/dbraw/zinc/68/11/48/1002681148.db2.gz	IBLOBHZLJGWVNA-UHFFFAOYSA-N	-1	0	307.331	0.626	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC[C@](C)(O)c2ccccc2)c(C#N)c1=O	ZINC001421121448	1003342309	/nfs/dbraw/zinc/34/23/09/1003342309.db2.gz	IZACUSCOLLLSQY-INIZCTEOSA-N	-1	0	314.345	0.655	20	30		DCEDRM
CCOC(=O)CC1(NC(=O)c2[n-]c(=O)c(C#N)cc2C)COC1	ZINC001472232353	1016763718	/nfs/dbraw/zinc/76/37/18/1016763718.db2.gz	JVIXZLLKRLBFIH-UHFFFAOYSA-N	-1	0	319.317	0.419	20	30		DCEDRM
COc1ccccc1[C@@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001472696265	1016846061	/nfs/dbraw/zinc/84/60/61/1016846061.db2.gz	GUXQAGLIUJTVHB-LLVKDONJSA-N	-1	0	316.317	0.099	20	30		DCEDRM
COC(=O)[C@H](CC(C)(C)C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001472814638	1016859693	/nfs/dbraw/zinc/85/96/93/1016859693.db2.gz	QATPHSIVFQKDOP-VIFPVBQESA-N	-1	0	308.338	0.335	20	30		DCEDRM
COC(=O)[C@@H](CC(C)(C)C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001472814637	1016860247	/nfs/dbraw/zinc/86/02/47/1016860247.db2.gz	QATPHSIVFQKDOP-SECBINFHSA-N	-1	0	308.338	0.335	20	30		DCEDRM
CSc1cccc(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001473047700	1016904301	/nfs/dbraw/zinc/90/43/01/1016904301.db2.gz	HHMCECMMHDTNTJ-UHFFFAOYSA-N	-1	0	316.342	0.769	20	30		DCEDRM
C[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1cccnc1	ZINC001417599254	1005848731	/nfs/dbraw/zinc/84/87/31/1005848731.db2.gz	JCWPHTXGCZWVIS-SNVBAGLBSA-N	-1	0	313.317	0.483	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1CCS(=O)(=O)CC1	ZINC001417704072	1005872375	/nfs/dbraw/zinc/87/23/75/1005872375.db2.gz	HVCIXUALZPVQBX-UHFFFAOYSA-N	-1	0	323.374	0.522	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](N2CCCC2=O)C1	ZINC001417712297	1005873724	/nfs/dbraw/zinc/87/37/24/1005873724.db2.gz	DAECYKIBVHKNKE-GFCCVEGCSA-N	-1	0	314.345	0.804	20	30		DCEDRM
CO[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC[C@H]1C	ZINC001417715985	1005874608	/nfs/dbraw/zinc/87/46/08/1005874608.db2.gz	DHYVMNKOIJHPRA-PWSUYJOCSA-N	-1	0	320.349	0.094	20	30		DCEDRM
COCC1(CCNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001417878330	1005912571	/nfs/dbraw/zinc/91/25/71/1005912571.db2.gz	VJTWTVCJYHMVQU-UHFFFAOYSA-N	-1	0	320.349	0.144	20	30		DCEDRM
C[C@H](Sc1nncn1C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001452525222	1006896761	/nfs/dbraw/zinc/89/67/61/1006896761.db2.gz	IFFJRMWRMYVGRF-LURJTMIESA-N	-1	0	302.323	0.401	20	30		DCEDRM
Cc1cc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)ccc1F	ZINC001440770121	1008007956	/nfs/dbraw/zinc/00/79/56/1008007956.db2.gz	UAPSHJDDHVYWAF-UHFFFAOYSA-N	-1	0	316.292	0.585	20	30		DCEDRM
CCOC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001453842325	1008755940	/nfs/dbraw/zinc/75/59/40/1008755940.db2.gz	LKAJUBUMHWKZJL-UHFFFAOYSA-N	-1	0	320.349	0.286	20	30		DCEDRM
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001453845776	1008758519	/nfs/dbraw/zinc/75/85/19/1008758519.db2.gz	UIJPPQIHDWAQOC-QTKMDUPCSA-N	-1	0	302.334	0.229	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)c1nnc2n1CCC2	ZINC001433621229	1009013912	/nfs/dbraw/zinc/01/39/12/1009013912.db2.gz	NUXIOKZIYYRVPS-VIFPVBQESA-N	-1	0	312.333	0.996	20	30		DCEDRM
COC(=O)[C@H](C)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001433637191	1009027507	/nfs/dbraw/zinc/02/75/07/1009027507.db2.gz	XNBCONXEVVXKJT-SSDOTTSWSA-N	-1	0	309.347	0.920	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCC(F)(F)[C@H](CO)C1)cc2=O	ZINC001421850128	1009163733	/nfs/dbraw/zinc/16/37/33/1009163733.db2.gz	GSSYJAODOXVOCA-JTQLQIEISA-N	-1	0	323.303	0.756	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1CCCCS1(=O)=O	ZINC001433848066	1009253679	/nfs/dbraw/zinc/25/36/79/1009253679.db2.gz	AVKCONYAQGJNPG-NSHDSACASA-N	-1	0	323.374	0.664	20	30		DCEDRM
C[C@H](C(=O)[N-]Oc1cccc(C#N)c1)n1cnc2c1ncnc2N	ZINC001454684699	1009263749	/nfs/dbraw/zinc/26/37/49/1009263749.db2.gz	ZRSJGNLINJAKKR-SECBINFHSA-N	-1	0	323.316	0.951	20	30		DCEDRM
CCOC(=O)c1n[nH]c([C@H](C)NC(=O)c2coc(C#N)c2)n1	ZINC001434163966	1009625961	/nfs/dbraw/zinc/62/59/61/1009625961.db2.gz	ANYIBMKGPARYDX-ZETCQYMHSA-N	-1	0	303.278	0.937	20	30		DCEDRM
CO[C@@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)[C@](C)(CO)C1	ZINC001434283249	1009725079	/nfs/dbraw/zinc/72/50/79/1009725079.db2.gz	NLUYWLYOEUWMNK-NHYWBVRUSA-N	-1	0	305.334	0.579	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001434365738	1009841152	/nfs/dbraw/zinc/84/11/52/1009841152.db2.gz	PSYJWPKXBBLFJI-LLVKDONJSA-N	-1	0	311.349	0.870	20	30		DCEDRM
C#CCC1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCCCC1	ZINC001456183243	1010111264	/nfs/dbraw/zinc/11/12/64/1010111264.db2.gz	FQOFVAMKFKFHEZ-UHFFFAOYSA-N	-1	0	314.345	0.663	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cnn(-c3ccccc3)c2)c(C#N)c1=O	ZINC001458085500	1012072988	/nfs/dbraw/zinc/07/29/88/1012072988.db2.gz	OFTLKQVNXHJVRT-UHFFFAOYSA-N	-1	0	322.328	0.743	20	30		DCEDRM
Cc1ccsc1[C@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001458231042	1012114435	/nfs/dbraw/zinc/11/44/35/1012114435.db2.gz	KWFLCZXLPDZJRI-VIFPVBQESA-N	-1	0	306.347	0.461	20	30		DCEDRM
CCOC(=O)C1=CC[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001458485341	1012190069	/nfs/dbraw/zinc/19/00/69/1012190069.db2.gz	MIAKXVAKGFFFFQ-SECBINFHSA-N	-1	0	304.306	0.009	20	30		DCEDRM
N#CCC(=O)NN1C(=O)c2ccc(Br)cc2C1=O	ZINC001557224172	1012267242	/nfs/dbraw/zinc/26/72/42/1012267242.db2.gz	OQYWXUWCGALLHG-UHFFFAOYSA-N	-1	0	308.091	0.990	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CNc1ccc(S(N)(=O)=O)cc1F	ZINC001557329014	1012272592	/nfs/dbraw/zinc/27/25/92/1012272592.db2.gz	CXHGQBMIINZTLP-UHFFFAOYSA-N	-1	0	317.342	0.509	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3cccnc3F)C2)c(=O)[n-]c1=O	ZINC001558806333	1012382635	/nfs/dbraw/zinc/38/26/35/1012382635.db2.gz	MACBAQGJGBEYKM-UHFFFAOYSA-N	-1	0	315.264	0.052	20	30		DCEDRM
N#C[C@]1(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCSC1	ZINC001542734784	1012489368	/nfs/dbraw/zinc/48/93/68/1012489368.db2.gz	AKUJZKONDOQSCC-CYBMUJFWSA-N	-1	0	315.362	0.204	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCN(C3CC3)C(=O)C1)cc2=O	ZINC001459612775	1012781474	/nfs/dbraw/zinc/78/14/74/1012781474.db2.gz	IJPQLKRQNNANNB-UHFFFAOYSA-N	-1	0	312.333	0.113	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCC(N)=O	ZINC001546261777	1018582607	/nfs/dbraw/zinc/58/26/07/1018582607.db2.gz	RXPDQPYQRGKDEM-SNVBAGLBSA-N	-1	0	315.370	0.769	20	30		DCEDRM
COC[C@](C)(NS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-]	ZINC001606791215	1170290622	/nfs/dbraw/zinc/29/06/22/1170290622.db2.gz	IBGIRDACMVLAJG-NSHDSACASA-N	-1	0	304.368	0.479	20	30		DCEDRM
CC(C)CS(=O)(=O)CCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000076906233	185053538	/nfs/dbraw/zinc/05/35/38/185053538.db2.gz	DFNIHWIDXAFYOE-UHFFFAOYSA-N	-1	0	309.351	0.552	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)N2CC(C(=O)[O-])C2)c(F)c1	ZINC000275168273	212167049	/nfs/dbraw/zinc/16/70/49/212167049.db2.gz	WBONKQQUULAMRH-UHFFFAOYSA-N	-1	0	302.258	0.542	20	30		DCEDRM
CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)C1(C#N)CCCC1	ZINC000262237542	529827068	/nfs/dbraw/zinc/82/70/68/529827068.db2.gz	TWJXMHSRGRTNBS-GFCCVEGCSA-N	-1	0	321.377	0.852	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2cc(C#N)ncn2)C1=O	ZINC000561087867	288525418	/nfs/dbraw/zinc/52/54/18/288525418.db2.gz	SXWNYZOKJQVANY-ZYHUDNBSSA-N	-1	0	303.322	0.470	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H](CO)[C@@H]2CCOC2)o1	ZINC000287194787	219372527	/nfs/dbraw/zinc/37/25/27/219372527.db2.gz	DQVBENWQRRNAQM-NXEZZACHSA-N	-1	0	300.336	0.075	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1	ZINC000172085799	237142781	/nfs/dbraw/zinc/14/27/81/237142781.db2.gz	FIAOTWYEXRMJEH-RTXFEEFZSA-N	-1	0	306.343	0.931	20	30		DCEDRM
N#C[C@H]1COCCN1C(=O)CSc1n[n-]c(=S)s1	ZINC000268143683	238245355	/nfs/dbraw/zinc/24/53/55/238245355.db2.gz	VTVJGKBZQFCXIR-LURJTMIESA-N	-1	0	302.406	0.670	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC#Cc2ccccc2)C1	ZINC000420524170	240041436	/nfs/dbraw/zinc/04/14/36/240041436.db2.gz	BZQWCQFNUBGOQT-QGZVFWFLSA-N	-1	0	314.341	0.478	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(C#N)cc1	ZINC000420532896	240042210	/nfs/dbraw/zinc/04/22/10/240042210.db2.gz	QSDRWEVYWWJTOL-MFKMUULPSA-N	-1	0	315.329	0.669	20	30		DCEDRM
CC(C)C[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000424393943	240259729	/nfs/dbraw/zinc/25/97/29/240259729.db2.gz	SILZJTMULNUYMT-GHMZBOCLSA-N	-1	0	305.400	0.659	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)/C=C\c2ccncn2)c1	ZINC000493818277	241161270	/nfs/dbraw/zinc/16/12/70/241161270.db2.gz	IZYTUGVRGSVTFO-UPHRSURJSA-N	-1	0	315.314	0.262	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)OC)cc1	ZINC000497255708	241273667	/nfs/dbraw/zinc/27/36/67/241273667.db2.gz	YUVMLLUQFVHILH-UHFFFAOYSA-N	-1	0	310.331	0.948	20	30		DCEDRM
C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000274885315	212007828	/nfs/dbraw/zinc/00/78/28/212007828.db2.gz	DRVPKLDSXCURND-LDWIPMOCSA-N	-1	0	318.738	0.324	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)cc1	ZINC000573578269	291642032	/nfs/dbraw/zinc/64/20/32/291642032.db2.gz	LLFYRSOHVJHODU-YPMHNXCESA-N	-1	0	324.358	0.404	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)n2ncnc2n1	ZINC000340367916	253244224	/nfs/dbraw/zinc/24/42/24/253244224.db2.gz	BWZMEGCVAWMMKX-UHFFFAOYSA-N	-1	0	315.318	0.500	20	30		DCEDRM
C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])n1cnc(C#N)n1	ZINC000343635203	253676898	/nfs/dbraw/zinc/67/68/98/253676898.db2.gz	PBIZIGJOFQAMPH-SSDOTTSWSA-N	-1	0	302.250	0.963	20	30		DCEDRM
COc1ccc(=NC(=O)N=c2cc(C)n(CCC#N)[nH]2)[n-]n1	ZINC000346684702	533255082	/nfs/dbraw/zinc/25/50/82/533255082.db2.gz	VVDIUTCXJMPYIM-UHFFFAOYSA-N	-1	0	301.310	0.392	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1	ZINC000155557474	396054314	/nfs/dbraw/zinc/05/43/14/396054314.db2.gz	AOYDDDYMMOEXGN-GFCCVEGCSA-N	-1	0	312.333	0.856	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000594538011	396485062	/nfs/dbraw/zinc/48/50/62/396485062.db2.gz	JGEIKSWVSGPZJP-UWVGGRQHSA-N	-1	0	303.318	0.572	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000594573961	396488116	/nfs/dbraw/zinc/48/81/16/396488116.db2.gz	RBINMXVJJJZGHE-JTQLQIEISA-N	-1	0	300.311	0.958	20	30		DCEDRM
C[C@H](O)[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000581990406	396599154	/nfs/dbraw/zinc/59/91/54/396599154.db2.gz	QIDCKPXGKBDHJG-UWVGGRQHSA-N	-1	0	304.368	0.214	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000558592320	396611837	/nfs/dbraw/zinc/61/18/37/396611837.db2.gz	LMLVRHRVNSUDKS-ZCFIWIBFSA-N	-1	0	303.262	0.072	20	30		DCEDRM
N#CCCn1ncc2c1ncnc2N[C@@H]1C[C@H](C(=O)[O-])C[C@H]1O	ZINC000595979302	396702263	/nfs/dbraw/zinc/70/22/63/396702263.db2.gz	SAYMSNPWXDDPPI-JMJZKYOTSA-N	-1	0	316.321	0.376	20	30		DCEDRM
CC(C)N(CCC#N)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597041387	396878332	/nfs/dbraw/zinc/87/83/32/396878332.db2.gz	HZAMDSZQVUCPQT-UHFFFAOYSA-N	-1	0	311.363	0.804	20	30		DCEDRM
CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)CCCCC#N)CC1	ZINC000600657981	396906959	/nfs/dbraw/zinc/90/69/59/396906959.db2.gz	XMSYMOFMDDNGAK-UHFFFAOYSA-N	-1	0	317.411	0.491	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C[C@H]1C(=O)[O-]	ZINC000591568512	396930037	/nfs/dbraw/zinc/93/00/37/396930037.db2.gz	WPIDHDZIRBBWLW-HFAKWTLXSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)Cn1cnc2sccc2c1=O)C(=O)[O-]	ZINC000630318204	396984964	/nfs/dbraw/zinc/98/49/64/396984964.db2.gz	XBBFEGJFZNSGTB-SNVBAGLBSA-N	-1	0	321.358	0.994	20	30		DCEDRM
C[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC000602147249	397322918	/nfs/dbraw/zinc/32/29/18/397322918.db2.gz	NNCVSBYAYGGKCM-VIFPVBQESA-N	-1	0	308.363	0.175	20	30		DCEDRM
CC(C)[C@@H]1N(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC12CCC2	ZINC000602153594	397325021	/nfs/dbraw/zinc/32/50/21/397325021.db2.gz	MNEUAJLRSTXCDP-ZDUSSCGKSA-N	-1	0	316.361	0.858	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)nn1	ZINC000425239567	397405160	/nfs/dbraw/zinc/40/51/60/397405160.db2.gz	KVDMTLLEBYAMQI-PWSUYJOCSA-N	-1	0	308.338	0.464	20	30		DCEDRM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599323423	397405799	/nfs/dbraw/zinc/40/57/99/397405799.db2.gz	YPJOXJSESBYDBA-MRVPVSSYSA-N	-1	0	304.324	0.067	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(C)C	ZINC000490985997	397498993	/nfs/dbraw/zinc/49/89/93/397498993.db2.gz	PGSOEQVLPKVIID-SECBINFHSA-N	-1	0	300.340	0.747	20	30		DCEDRM
COc1cc(C#N)ccc1OCCCC(=O)NCc1nnn[n-]1	ZINC000609489051	397777762	/nfs/dbraw/zinc/77/77/62/397777762.db2.gz	FGFANZUAHYSADH-UHFFFAOYSA-N	-1	0	316.321	0.555	20	30		DCEDRM
COCCN(CCC#N)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000610491888	397826237	/nfs/dbraw/zinc/82/62/37/397826237.db2.gz	PDPATXJDEBRVRT-UHFFFAOYSA-N	-1	0	317.305	0.438	20	30		DCEDRM
C[S@](=O)CCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000125503699	158256236	/nfs/dbraw/zinc/25/62/36/158256236.db2.gz	MCEOUPDTKKGVCL-LJQANCHMSA-N	-1	0	322.358	0.883	20	30		DCEDRM
N#Cc1ccnc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1	ZINC000329978392	159132618	/nfs/dbraw/zinc/13/26/18/159132618.db2.gz	HLQWDSDOEDMVFE-LLVKDONJSA-N	-1	0	319.346	0.912	20	30		DCEDRM
CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc(C#N)cn2)s1	ZINC000609344873	412460636	/nfs/dbraw/zinc/46/06/36/412460636.db2.gz	UIWRFEBBTYTHRZ-UHFFFAOYSA-N	-1	0	324.347	0.429	20	30		DCEDRM
N#Cc1ccc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)nc1	ZINC000333292759	415604417	/nfs/dbraw/zinc/60/44/17/415604417.db2.gz	GBSHVCDLYQMDNJ-NSHDSACASA-N	-1	0	319.346	0.912	20	30		DCEDRM
CCNc1ccc(C#N)cc1NC(=O)c1cc(=O)n2[nH]cnc2n1	ZINC000354077585	415745798	/nfs/dbraw/zinc/74/57/98/415745798.db2.gz	FPKPRNHBBRGPCA-UHFFFAOYSA-N	-1	0	323.316	0.973	20	30		DCEDRM
C=CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)[O-])c1	ZINC000344095709	415839233	/nfs/dbraw/zinc/83/92/33/415839233.db2.gz	UJRDBPQUTXGIHC-UHFFFAOYSA-N	-1	0	312.347	0.355	20	30		DCEDRM
CNS(=O)(=O)c1cc(NC(=O)c2c[nH]c(C#N)c2)ccc1[O-]	ZINC000357339192	416064970	/nfs/dbraw/zinc/06/49/70/416064970.db2.gz	RRVZSJKKRMIQPQ-UHFFFAOYSA-N	-1	0	320.330	0.752	20	30		DCEDRM
C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)[C@H]1C(=O)[O-]	ZINC000300296907	416073032	/nfs/dbraw/zinc/07/30/32/416073032.db2.gz	FKFOYRQBOVGQGB-JOYOIKCWSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CS(=O)(=O)[N-]c1nnc(NC(=O)C2(C#N)CCCC2)s1	ZINC000298921235	416039627	/nfs/dbraw/zinc/03/96/27/416039627.db2.gz	BINQPFGXUOHWIE-UHFFFAOYSA-N	-1	0	315.380	0.932	20	30		DCEDRM
N#Cc1nccnc1NCCN1c2ccccc2[N-]S1(=O)=O	ZINC000357847739	416141826	/nfs/dbraw/zinc/14/18/26/416141826.db2.gz	WLAYDMKVMUOWNQ-UHFFFAOYSA-N	-1	0	316.346	0.937	20	30		DCEDRM
CCOC(=O)Cn1cccc(N=C([O-])N2C[C@H](O)C[C@@H]2C)c1=O	ZINC000330983559	416251454	/nfs/dbraw/zinc/25/14/54/416251454.db2.gz	HPXOMESJGCHKCT-WDEREUQCSA-N	-1	0	323.349	0.412	20	30		DCEDRM
Cn1c(N[C@H](CCC(C)(C)C)C(=O)[O-])c(C#N)c(=O)n(C)c1=O	ZINC000416439482	416369406	/nfs/dbraw/zinc/36/94/06/416369406.db2.gz	LZEILACFIQPFEX-SNVBAGLBSA-N	-1	0	322.365	0.647	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000417448124	416383017	/nfs/dbraw/zinc/38/30/17/416383017.db2.gz	SZLCMMVUFKODDT-GHMZBOCLSA-N	-1	0	318.395	0.192	20	30		DCEDRM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)N(CCC#N)CCOC	ZINC000417423740	416383031	/nfs/dbraw/zinc/38/30/31/416383031.db2.gz	SEHWKCAEAZNMHV-NSHDSACASA-N	-1	0	321.399	0.278	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000422662577	416446558	/nfs/dbraw/zinc/44/65/58/416446558.db2.gz	QSUALOBDWPDMMS-GFCCVEGCSA-N	-1	0	319.317	0.731	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])ccc1F	ZINC000422663555	416446634	/nfs/dbraw/zinc/44/66/34/416446634.db2.gz	PVKIAPIOFZJSOC-NSHDSACASA-N	-1	0	305.265	0.711	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC(C)(C)C#N)C1	ZINC000422949295	416451099	/nfs/dbraw/zinc/45/10/99/416451099.db2.gz	UURSAHKBQXPYLK-QWRGUYRKSA-N	-1	0	309.366	0.564	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C#N)s2)cn1	ZINC000611278285	416662667	/nfs/dbraw/zinc/66/26/67/416662667.db2.gz	UIYQCUATRGTTME-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCCC[C@@H](C)C(=O)[O-]	ZINC000516870840	416750754	/nfs/dbraw/zinc/75/07/54/416750754.db2.gz	PRXMIKIMHDSSMB-GHMZBOCLSA-N	-1	0	305.400	0.803	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC(C)(C)C[C@H](C)C(=O)[O-]	ZINC000565055810	416917547	/nfs/dbraw/zinc/91/75/47/416917547.db2.gz	KUZVDCGQHVFUIC-UWVGGRQHSA-N	-1	0	305.400	0.802	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000568002637	417072178	/nfs/dbraw/zinc/07/21/78/417072178.db2.gz	IDGJSCCJEWEIPJ-SCZZXKLOSA-N	-1	0	317.392	0.800	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC000568002946	417072308	/nfs/dbraw/zinc/07/23/08/417072308.db2.gz	QVNOJYYTFNWDDN-DGCLKSJQSA-N	-1	0	317.411	0.899	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c1	ZINC000450002298	417190508	/nfs/dbraw/zinc/19/05/08/417190508.db2.gz	CIJOXLNATGBPBJ-UHFFFAOYSA-N	-1	0	314.349	0.811	20	30		DCEDRM
Cn1cc(C#N)c(=NC(=O)N=c2cc(C3CCOCC3)[nH][nH]2)[n-]1	ZINC000617277097	417194294	/nfs/dbraw/zinc/19/42/94/417194294.db2.gz	HQPSJLDFMNKBEC-UHFFFAOYSA-N	-1	0	315.337	0.397	20	30		DCEDRM
CC[C@H](CCC(=O)[O-])NS(=O)(=O)N(CC)C[C@@H](C)C#N	ZINC000569853599	417302670	/nfs/dbraw/zinc/30/26/70/417302670.db2.gz	VJIUICZNHMMDEJ-WDEREUQCSA-N	-1	0	305.400	0.946	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000627275268	417325164	/nfs/dbraw/zinc/32/51/64/417325164.db2.gz	GUKGSZSKGIPVGS-NWDGAFQWSA-N	-1	0	312.366	0.265	20	30		DCEDRM
N#Cc1cccc(CCNC(=O)C(=O)NCCCC(=O)[O-])c1	ZINC000570570019	417368876	/nfs/dbraw/zinc/36/88/76/417368876.db2.gz	JGPJQQNQCQFFQD-UHFFFAOYSA-N	-1	0	303.318	0.198	20	30		DCEDRM
N#C[C@@H]1COCCN1C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000530880881	417595420	/nfs/dbraw/zinc/59/54/20/417595420.db2.gz	OTWQLYKDNPTURA-LLVKDONJSA-N	-1	0	300.274	0.394	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000659056028	418051256	/nfs/dbraw/zinc/05/12/56/418051256.db2.gz	SPPRHJWJIBNPBD-UHFFFAOYSA-N	-1	0	307.306	0.427	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659402823	418091792	/nfs/dbraw/zinc/09/17/92/418091792.db2.gz	HRYUVOOIYMOYNR-NFFDBFGFSA-N	-1	0	324.377	0.710	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000649185926	418206846	/nfs/dbraw/zinc/20/68/46/418206846.db2.gz	NTLJYBZGNDEEEH-CYBMUJFWSA-N	-1	0	313.357	0.978	20	30		DCEDRM
COCC[C@H](CO)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001649790509	1173226664	/nfs/dbraw/zinc/22/66/64/1173226664.db2.gz	FGEZYVBCVUUOSB-SECBINFHSA-N	-1	0	311.363	0.508	20	30		DCEDRM
COC(=O)N1CC(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)C1	ZINC000492242531	267373066	/nfs/dbraw/zinc/37/30/66/267373066.db2.gz	FDJYTQVRFKPVPI-UHFFFAOYSA-N	-1	0	322.346	0.561	20	30		DCEDRM
N#Cc1ccc(C[C@@H](C#N)C(=O)NC2(c3nnn[n-]3)CC2)cc1	ZINC000352038936	268085827	/nfs/dbraw/zinc/08/58/27/268085827.db2.gz	NQINUPCQWPEEEE-LBPRGKRZSA-N	-1	0	307.317	0.559	20	30		DCEDRM
COC[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000548542034	288152497	/nfs/dbraw/zinc/15/24/97/288152497.db2.gz	JUBBEOYEVFHJTB-NSHDSACASA-N	-1	0	316.310	0.216	20	30		DCEDRM
C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)o1	ZINC000554430152	288320348	/nfs/dbraw/zinc/32/03/48/288320348.db2.gz	GJIDNXFBCRGDOF-HTRCEHHLSA-N	-1	0	302.333	0.688	20	30		DCEDRM
CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000558473418	288444794	/nfs/dbraw/zinc/44/47/94/288444794.db2.gz	QYPXNRLUIRTOMB-WPRPVWTQSA-N	-1	0	302.308	0.044	20	30		DCEDRM
CN(C)c1ncc(N=C([O-])c2cnc3n(c2=O)CCS3)cn1	ZINC000328641750	289435862	/nfs/dbraw/zinc/43/58/62/289435862.db2.gz	DIXFIDCPEPCZQM-UHFFFAOYSA-N	-1	0	318.362	0.841	20	30		DCEDRM
C[C@H]1CCC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)nc1	ZINC000275207977	299880597	/nfs/dbraw/zinc/88/05/97/299880597.db2.gz	ZODZIESSWFKYFN-JOYOIKCWSA-N	-1	0	309.347	0.970	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])ccc1C#N	ZINC000235833994	301388726	/nfs/dbraw/zinc/38/87/26/301388726.db2.gz	ZIIUGQJHMPQVMQ-LBPRGKRZSA-N	-1	0	310.331	0.341	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000518542117	332077646	/nfs/dbraw/zinc/07/76/46/332077646.db2.gz	KELMIBFFZPKVNX-JQWIXIFHSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CC(=O)N(CC(C)C)C1)C(=O)[O-]	ZINC000560445048	332339659	/nfs/dbraw/zinc/33/96/59/332339659.db2.gz	LIJXQCHKQJMMLC-RYUDHWBXSA-N	-1	0	312.366	0.263	20	30		DCEDRM
CSCC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000582065981	333197398	/nfs/dbraw/zinc/19/73/98/333197398.db2.gz	LKIMVGCUMIXAMT-DTWKUNHWSA-N	-1	0	309.413	0.119	20	30		DCEDRM
CCn1ccnc1/C=C/C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000492479232	333300344	/nfs/dbraw/zinc/30/03/44/333300344.db2.gz	YDOMEBRFXZHJMQ-AATRIKPKSA-N	-1	0	310.379	0.912	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cc(C)cs1)C(=O)[O-]	ZINC000563078500	333342539	/nfs/dbraw/zinc/34/25/39/333342539.db2.gz	CNBHFHMQMLYANL-SECBINFHSA-N	-1	0	305.377	0.991	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1[C@@H](C)SC[C@@H]1C(=O)[O-]	ZINC000571527370	333814161	/nfs/dbraw/zinc/81/41/61/333814161.db2.gz	JINQRQWGXICSKB-IWSPIJDZSA-N	-1	0	307.397	0.171	20	30		DCEDRM
CCOC(=O)C[C@H](S[C@@H](C)C(=O)N(C)CCC#N)C(=O)[O-]	ZINC001573786320	1159232175	/nfs/dbraw/zinc/23/21/75/1159232175.db2.gz	OZPMGFRXZQOXOM-UWVGGRQHSA-N	-1	0	316.379	0.887	20	30		DCEDRM
O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1n[nH]c(=O)[n-]1	ZINC000330061236	336110324	/nfs/dbraw/zinc/11/03/24/336110324.db2.gz	NYVOOEJEOYLDGG-DTORHVGOSA-N	-1	0	321.337	0.532	20	30		DCEDRM
CC(C)C[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000424393946	337830004	/nfs/dbraw/zinc/83/00/04/337830004.db2.gz	SILZJTMULNUYMT-WDEREUQCSA-N	-1	0	305.400	0.659	20	30		DCEDRM
CCC[C@H]1CCN(S(=O)(=O)N(C)CCC#N)[C@@H]1C(=O)[O-]	ZINC000514778935	337970689	/nfs/dbraw/zinc/97/06/89/337970689.db2.gz	QOTCRBGCQLAOIQ-QWRGUYRKSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CCC[C@@H]1CCN(S(=O)(=O)N(C)CCC#N)[C@@H]1C(=O)[O-]	ZINC000514778934	337970755	/nfs/dbraw/zinc/97/07/55/337970755.db2.gz	QOTCRBGCQLAOIQ-MNOVXSKESA-N	-1	0	303.384	0.652	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000491475515	339863553	/nfs/dbraw/zinc/86/35/53/339863553.db2.gz	XPSXAMZEDUCXGD-GFCCVEGCSA-N	-1	0	316.313	0.492	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000491688563	339873897	/nfs/dbraw/zinc/87/38/97/339873897.db2.gz	CBOFQLKFOJWJTN-SECBINFHSA-N	-1	0	316.329	0.723	20	30		DCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000491741783	339877671	/nfs/dbraw/zinc/87/76/71/339877671.db2.gz	RVKLMLLPOJQQAT-ZETCQYMHSA-N	-1	0	308.319	0.078	20	30		DCEDRM
Cc1c(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cnn1C	ZINC000493689853	339931251	/nfs/dbraw/zinc/93/12/51/339931251.db2.gz	OIOJJTDNQVBWJC-ARJAWSKDSA-N	-1	0	308.363	0.492	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCNC(=O)OC(C)(C)C	ZINC000495998480	339996237	/nfs/dbraw/zinc/99/62/37/339996237.db2.gz	PFVJFFAQXFUFDN-UHFFFAOYSA-N	-1	0	304.368	0.371	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C	ZINC000496232667	340001161	/nfs/dbraw/zinc/00/11/61/340001161.db2.gz	HOESPWUALOGNRF-VIFPVBQESA-N	-1	0	301.343	0.250	20	30		DCEDRM
C=C(C)CS(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000496747469	340011958	/nfs/dbraw/zinc/01/19/58/340011958.db2.gz	CYAXKLGUVIFAFA-VIFPVBQESA-N	-1	0	322.383	0.460	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000496764122	340012379	/nfs/dbraw/zinc/01/23/79/340012379.db2.gz	QLOIPMRUODRWLD-JTQLQIEISA-N	-1	0	304.368	0.226	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)OCC)CC1	ZINC000496896383	340015657	/nfs/dbraw/zinc/01/56/57/340015657.db2.gz	XYNOFIGJWIDYHQ-UHFFFAOYSA-N	-1	0	316.379	0.324	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000521699918	340529443	/nfs/dbraw/zinc/52/94/43/340529443.db2.gz	XRCURXQEZJSNML-QMMMGPOBSA-N	-1	0	317.317	0.519	20	30		DCEDRM
N#CC1(CS(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)[O-])CC1	ZINC000547873898	341238631	/nfs/dbraw/zinc/23/86/31/341238631.db2.gz	DOSVEBUKKDDLLT-NSHDSACASA-N	-1	0	323.374	0.548	20	30		DCEDRM
C[C@H](CCC[C@H](C)NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000548266087	341253554	/nfs/dbraw/zinc/25/35/54/341253554.db2.gz	OCURLZUSOKQNRX-MNOVXSKESA-N	-1	0	305.400	0.946	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000548561444	341266053	/nfs/dbraw/zinc/26/60/53/341266053.db2.gz	SCJNLHWEZYDLIK-LLVKDONJSA-N	-1	0	309.347	0.765	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC1CCC(C(=O)[O-])CC1	ZINC000565057613	341516146	/nfs/dbraw/zinc/51/61/46/341516146.db2.gz	HSNLQMZLUXKKCJ-VOMCLLRMSA-N	-1	0	317.411	0.946	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)CC1(CC#N)CC1	ZINC001606785918	1159798076	/nfs/dbraw/zinc/79/80/76/1159798076.db2.gz	BRJSUCWIZNUAKD-LLVKDONJSA-N	-1	0	304.368	0.479	20	30		DCEDRM
N#CCNC(=O)CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-]	ZINC000344205262	534685481	/nfs/dbraw/zinc/68/54/81/534685481.db2.gz	FMDKXPRWHOIEOX-UHFFFAOYSA-N	-1	0	317.280	0.087	20	30		DCEDRM
C[C@@H]1CN(C(=O)COc2ccc(C#N)cc2)C[C@H](C(=O)[O-])O1	ZINC000262201226	524786993	/nfs/dbraw/zinc/78/69/93/524786993.db2.gz	UYSNHYCUOIPUOK-ZWNOBZJWSA-N	-1	0	304.302	0.638	20	30		DCEDRM
C#CCC(C)(C)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000184517783	526668973	/nfs/dbraw/zinc/66/89/73/526668973.db2.gz	BBIRBCZTVLYTBW-UHFFFAOYSA-N	-1	0	302.381	0.898	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1nc2nc(C)cc(C)n2n1)C(=O)[O-]	ZINC000263154497	526792758	/nfs/dbraw/zinc/79/27/58/526792758.db2.gz	XQPUKCVWYLHBOC-SNVBAGLBSA-N	-1	0	319.321	0.127	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1	ZINC000360940858	527096565	/nfs/dbraw/zinc/09/65/65/527096565.db2.gz	IPLHAZXSWADDLR-CYBMUJFWSA-N	-1	0	313.317	0.425	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000159584759	527164640	/nfs/dbraw/zinc/16/46/40/527164640.db2.gz	PVUINHRNZDNWOA-SNVBAGLBSA-N	-1	0	312.303	0.658	20	30		DCEDRM
C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000738965329	597309673	/nfs/dbraw/zinc/30/96/73/597309673.db2.gz	ODOZSVAXFUYGAP-VIFPVBQESA-N	-1	0	310.331	0.062	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000819100653	597428513	/nfs/dbraw/zinc/42/85/13/597428513.db2.gz	XFERTMPDEWGWBB-GFCCVEGCSA-N	-1	0	307.281	0.692	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1	ZINC000817685892	597517521	/nfs/dbraw/zinc/51/75/21/597517521.db2.gz	TVTKQMHHNDZLRS-SECBINFHSA-N	-1	0	319.317	0.130	20	30		DCEDRM
N#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC000819090780	597524177	/nfs/dbraw/zinc/52/41/77/597524177.db2.gz	BXCWLLSHRKYNIV-SNVBAGLBSA-N	-1	0	317.301	0.461	20	30		DCEDRM
CC[C@@H]1CN(C(C)=O)CC[C@@H]1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820297095	597604388	/nfs/dbraw/zinc/60/43/88/597604388.db2.gz	LXURPQYWTRHRRB-XUJVJEKNSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CC(C)C(=O)N1CCC(NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819955104	597633734	/nfs/dbraw/zinc/63/37/34/597633734.db2.gz	ILCPQLLSWXVCGL-OAHLLOKOSA-N	-1	0	309.366	0.754	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC000819841635	597633785	/nfs/dbraw/zinc/63/37/85/597633785.db2.gz	BWSBSEOQXCZLPF-CQSZACIVSA-N	-1	0	301.306	0.486	20	30		DCEDRM
CN(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)OC(C)(C)C	ZINC000820597298	597643344	/nfs/dbraw/zinc/64/33/44/597643344.db2.gz	JQAUWCWOKIYCIV-AWEZNQCLSA-N	-1	0	313.354	0.974	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCCN1c1cccnn1	ZINC000819834857	597648348	/nfs/dbraw/zinc/64/83/48/597648348.db2.gz	POSZXKZPQJFPMK-NHYWBVRUSA-N	-1	0	317.349	0.566	20	30		DCEDRM
CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000820061269	597655200	/nfs/dbraw/zinc/65/52/00/597655200.db2.gz	CFGCRAUQHWAOIL-BMIGLBTASA-N	-1	0	319.365	0.837	20	30		DCEDRM
C=CCN(CC(=O)NCC(=O)[O-])S(=O)(=O)c1cccs1	ZINC000819713502	597759906	/nfs/dbraw/zinc/75/99/06/597759906.db2.gz	PBCVDGMCELZHBX-UHFFFAOYSA-N	-1	0	318.376	0.126	20	30		DCEDRM
COC[C@H](C#N)OC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000820710578	597841763	/nfs/dbraw/zinc/84/17/63/597841763.db2.gz	PMZALJLPHCSAEY-WCQYABFASA-N	-1	0	317.301	0.788	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)c1cccc(C(=O)[O-])c1	ZINC000819720339	598145313	/nfs/dbraw/zinc/14/53/13/598145313.db2.gz	WGPRMEWOWKMDLN-UHFFFAOYSA-N	-1	0	306.274	0.553	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)NC(=O)CO2	ZINC000819857640	598222353	/nfs/dbraw/zinc/22/23/53/598222353.db2.gz	ZERPAOIZCFBSCR-CQSZACIVSA-N	-1	0	303.274	0.961	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(OCC(N)=O)c1	ZINC000819857046	598223181	/nfs/dbraw/zinc/22/31/81/598223181.db2.gz	QVXLCLBFBUBJIC-CQSZACIVSA-N	-1	0	305.290	0.494	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-n2cncn2)nc1	ZINC000819847849	598223439	/nfs/dbraw/zinc/22/34/39/598223439.db2.gz	PITUNMGOXNSGEI-ZDUSSCGKSA-N	-1	0	300.278	0.605	20	30		DCEDRM
CCCC(=O)NC1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820297250	598224099	/nfs/dbraw/zinc/22/40/99/598224099.db2.gz	QGEDVNSNXUQPFL-OAHLLOKOSA-N	-1	0	309.366	0.898	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCNC(=O)c1cccs1	ZINC000819842384	598224251	/nfs/dbraw/zinc/22/42/51/598224251.db2.gz	OQIHXOLUVZBWSU-CYBMUJFWSA-N	-1	0	309.347	0.599	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)NCC2	ZINC000819857180	598227902	/nfs/dbraw/zinc/22/79/02/598227902.db2.gz	UDGBMLUZMOKHRO-OAHLLOKOSA-N	-1	0	301.302	0.916	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2Cc3ccccc32)[n-]c1-c1nn[nH]n1	ZINC000822815497	599314849	/nfs/dbraw/zinc/31/48/49/599314849.db2.gz	RQFIIKJDBRBEHP-SECBINFHSA-N	-1	0	306.289	0.740	20	30		DCEDRM
Cc1cc(C)n(N=Cc2ccc(C#N)o2)c(=O)c1-c1nnn[n-]1	ZINC000822198559	599334411	/nfs/dbraw/zinc/33/44/11/599334411.db2.gz	AJUOWWBJKITRDL-UHFFFAOYSA-N	-1	0	309.289	0.992	20	30		DCEDRM
C#CCCCNC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC000819693155	599489366	/nfs/dbraw/zinc/48/93/66/599489366.db2.gz	OBSWEPZJKRTOTA-UHFFFAOYSA-N	-1	0	318.362	0.832	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(Cl)cn2)[n-]c1-c1nn[nH]n1	ZINC000737703673	599495005	/nfs/dbraw/zinc/49/50/05/599495005.db2.gz	AKOZDMQULJHFMT-UHFFFAOYSA-N	-1	0	315.684	0.762	20	30		DCEDRM
C#Cc1cccc(N(CC(=O)NC)C(=O)CCCNC(=O)[O-])c1	ZINC000736090644	599728361	/nfs/dbraw/zinc/72/83/61/599728361.db2.gz	FXQSIXUJWQODDD-UHFFFAOYSA-N	-1	0	317.345	0.795	20	30		DCEDRM
CC(C)(NC(=O)[O-])C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000736325379	599729345	/nfs/dbraw/zinc/72/93/45/599729345.db2.gz	KZABIPXBFYKJDJ-UHFFFAOYSA-N	-1	0	317.349	0.648	20	30		DCEDRM
N#Cc1cccc(OCC(=O)Nc2ccn(CC(=O)[O-])n2)c1	ZINC000739139426	599735401	/nfs/dbraw/zinc/73/54/01/599735401.db2.gz	GXGBWELZWSWKAC-UHFFFAOYSA-N	-1	0	300.274	0.857	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCCN(C)C(=O)[O-]	ZINC000736349799	599873004	/nfs/dbraw/zinc/87/30/04/599873004.db2.gz	PSKYVDXDZMWVTF-AWEZNQCLSA-N	-1	0	313.354	0.974	20	30		DCEDRM
N#CCOc1ccc(CN2C(=O)N[C@H](CC(=O)[O-])C2=O)cc1	ZINC000739086786	599887270	/nfs/dbraw/zinc/88/72/70/599887270.db2.gz	CNIAHCDRYUPOQJ-LLVKDONJSA-N	-1	0	303.274	0.484	20	30		DCEDRM
N#C[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO1	ZINC000738422466	599954146	/nfs/dbraw/zinc/95/41/46/599954146.db2.gz	KGLWGBNJRLXTAO-NSHDSACASA-N	-1	0	305.246	0.658	20	30		DCEDRM
C#CCNC(=O)CN1CCN(Cc2ccc(C(=O)[O-])cc2)CC1	ZINC000736076778	599964626	/nfs/dbraw/zinc/96/46/26/599964626.db2.gz	UUHJALHMGCULGJ-UHFFFAOYSA-N	-1	0	315.373	0.252	20	30		DCEDRM
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@@H](C(=O)[O-])C1	ZINC000736212200	599972282	/nfs/dbraw/zinc/97/22/82/599972282.db2.gz	RDKTUMJTTCVBQM-VXGBXAGGSA-N	-1	0	309.366	0.503	20	30		DCEDRM
CN(C(=O)CN1CCO[C@H](C(=O)[O-])C1)C1(C#N)CCCCC1	ZINC000737323318	599978162	/nfs/dbraw/zinc/97/81/62/599978162.db2.gz	WVGUXIKIBBEYIC-LBPRGKRZSA-N	-1	0	309.366	0.457	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)c1	ZINC000739142331	600107673	/nfs/dbraw/zinc/10/76/73/600107673.db2.gz	KLJOZDHMXMJGEX-RYUDHWBXSA-N	-1	0	300.318	0.323	20	30		DCEDRM
CNC(=O)c1cccc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)c1	ZINC000737551958	600247527	/nfs/dbraw/zinc/24/75/27/600247527.db2.gz	LXGFCROVNVYTIB-UHFFFAOYSA-N	-1	0	311.297	0.826	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCC(=O)[O-]	ZINC000737195324	600332069	/nfs/dbraw/zinc/33/20/69/600332069.db2.gz	ZQBODELHDWUJKA-UHFFFAOYSA-N	-1	0	305.290	0.486	20	30		DCEDRM
COCCCOc1ccc(C(=O)N(CC#N)CC(=O)[O-])cn1	ZINC000737762237	600408750	/nfs/dbraw/zinc/40/87/50/600408750.db2.gz	OGTIQMZSXNRWCY-UHFFFAOYSA-N	-1	0	307.306	0.547	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])nc2)CCN1C1CC1	ZINC000739068208	600461510	/nfs/dbraw/zinc/46/15/10/600461510.db2.gz	BNXFBPPIKMZHQX-GFCCVEGCSA-N	-1	0	300.318	0.592	20	30		DCEDRM
C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)S(C)(=O)=O	ZINC000736226018	600612565	/nfs/dbraw/zinc/61/25/65/600612565.db2.gz	CWCRXMWFJWFUHR-KCJUWKMLSA-N	-1	0	311.315	0.660	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000825687280	600675219	/nfs/dbraw/zinc/67/52/19/600675219.db2.gz	HYSGOAWWFFNVHU-DTWKUNHWSA-N	-1	0	315.326	0.222	20	30		DCEDRM
Cc1cc(C#N)ccc1OS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000832858228	600733286	/nfs/dbraw/zinc/73/32/86/600733286.db2.gz	ACHLGIUDHWTMJD-UHFFFAOYSA-N	-1	0	321.314	0.916	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000825625625	600898301	/nfs/dbraw/zinc/89/83/01/600898301.db2.gz	JOWIMVXOKYSHOA-VIFPVBQESA-N	-1	0	322.292	0.613	20	30		DCEDRM
C#CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)cc1	ZINC000736077074	600901119	/nfs/dbraw/zinc/90/11/19/600901119.db2.gz	XUJDRLZMZXDWTG-GFCCVEGCSA-N	-1	0	305.286	0.445	20	30		DCEDRM
N#CCN(CCC(=O)NC(=O)NCc1ccccc1)CC(=O)[O-]	ZINC000833067049	601004527	/nfs/dbraw/zinc/00/45/27/601004527.db2.gz	OHURXHXHSAFKKQ-UHFFFAOYSA-N	-1	0	318.333	0.313	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)CN1CCSC[C@@H]1CC(=O)[O-]	ZINC000314070436	601015443	/nfs/dbraw/zinc/01/54/43/601015443.db2.gz	CEWLYRKXRMBRHS-LBPRGKRZSA-N	-1	0	324.406	0.534	20	30		DCEDRM
N#C[C@H]1COCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000738427630	601095683	/nfs/dbraw/zinc/09/56/83/601095683.db2.gz	DJFJCVPJOOSWTE-NSHDSACASA-N	-1	0	305.246	0.658	20	30		DCEDRM
COc1ccccc1[C@H](C)NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832597012	601227517	/nfs/dbraw/zinc/22/75/17/601227517.db2.gz	SEQVOWUDVURCPH-NSHDSACASA-N	-1	0	305.334	0.783	20	30		DCEDRM
COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000831696688	601236512	/nfs/dbraw/zinc/23/65/12/601236512.db2.gz	HVIOQYJPBLRTSN-GRYCIOLGSA-N	-1	0	310.350	0.739	20	30		DCEDRM
COc1cccc(S(=O)(=O)CCN(CC#N)CC(=O)[O-])c1	ZINC000832572626	601242014	/nfs/dbraw/zinc/24/20/14/601242014.db2.gz	GOJAAORUCAAIIU-UHFFFAOYSA-N	-1	0	312.347	0.379	20	30		DCEDRM
CN1N=C(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CCC1=O	ZINC000830968852	601347649	/nfs/dbraw/zinc/34/76/49/601347649.db2.gz	UIIHRJRPOOYVOC-ZDUSSCGKSA-N	-1	0	315.285	0.835	20	30		DCEDRM
CC[C@H](C)[C@@H](NC(=O)COC(=O)c1cc(C#N)c[nH]1)C(=O)[O-]	ZINC000828714469	601430906	/nfs/dbraw/zinc/43/09/06/601430906.db2.gz	ARWLUMUQTAQQJX-QPUJVOFHSA-N	-1	0	307.306	0.659	20	30		DCEDRM
COC(=O)C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC000831147951	601574086	/nfs/dbraw/zinc/57/40/86/601574086.db2.gz	MLUPGNSKXPSFHX-UKRRQHHQSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C#CCNC(=O)CN1CCN(Cc2ccc(C(=O)[O-])s2)CC1	ZINC000825620243	601949897	/nfs/dbraw/zinc/94/98/97/601949897.db2.gz	YYHZQVZOZKAPRX-UHFFFAOYSA-N	-1	0	321.402	0.313	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)NCCNc2ncccc2C#N)C1	ZINC000828002987	602063878	/nfs/dbraw/zinc/06/38/78/602063878.db2.gz	SRLIJEAWFWBBHD-HNNXBMFYSA-N	-1	0	317.349	0.871	20	30		DCEDRM
COCCN(CC(=O)[O-])C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000818536954	602364042	/nfs/dbraw/zinc/36/40/42/602364042.db2.gz	HGWGGORAPIPXRQ-UHFFFAOYSA-N	-1	0	305.286	0.326	20	30		DCEDRM
O=C([O-])Cc1nc(NC(=O)C#Cc2ccc3c(c2)OCO3)n[nH]1	ZINC000833270700	602367150	/nfs/dbraw/zinc/36/71/50/602367150.db2.gz	XFAHSHQPQNBYRR-UHFFFAOYSA-N	-1	0	314.257	0.151	20	30		DCEDRM
O=C([O-])[C@]1(F)CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC000833091972	602391792	/nfs/dbraw/zinc/39/17/92/602391792.db2.gz	IXLAQMLHAVQCPJ-HNNXBMFYSA-N	-1	0	305.261	0.792	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)C#Cc1ccc2c(c1)OCO2	ZINC000831545131	602392228	/nfs/dbraw/zinc/39/22/28/602392228.db2.gz	RBBIVESYCIXDIR-INIZCTEOSA-N	-1	0	319.313	0.763	20	30		DCEDRM
C#CCN(C(=O)CCCN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000736077672	602462695	/nfs/dbraw/zinc/46/26/95/602462695.db2.gz	VTSISLQPUQMTKT-LLVKDONJSA-N	-1	0	316.379	0.025	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-]	ZINC000828272362	603136315	/nfs/dbraw/zinc/13/63/15/603136315.db2.gz	ANFLXISKCDPWBZ-GHMZBOCLSA-N	-1	0	318.399	0.493	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)[O-])cn1	ZINC000831142082	603149473	/nfs/dbraw/zinc/14/94/73/603149473.db2.gz	RHYRSIHAYYQVIE-JTQLQIEISA-N	-1	0	310.335	0.374	20	30		DCEDRM
CC(C)(CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)NC(=O)[O-]	ZINC000823922578	603457572	/nfs/dbraw/zinc/45/75/72/603457572.db2.gz	BQCLUMNTTGBLKK-LLVKDONJSA-N	-1	0	309.370	0.414	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000831118162	603522253	/nfs/dbraw/zinc/52/22/53/603522253.db2.gz	ONGIHLVCJSEULE-UHFFFAOYSA-N	-1	0	320.280	0.458	20	30		DCEDRM
C[C@@H](CNC(=O)[O-])N(C)C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000824960317	603546705	/nfs/dbraw/zinc/54/67/05/603546705.db2.gz	RLTLCDZQLHJZMF-JTQLQIEISA-N	-1	0	318.333	0.403	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1Cc2ccccc2O1	ZINC000831076307	603589277	/nfs/dbraw/zinc/58/92/77/603589277.db2.gz	JQPJMVFQUAMMAR-WCQYABFASA-N	-1	0	301.302	0.704	20	30		DCEDRM
CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[O-])[C@H](C#N)C1	ZINC000823805393	603593096	/nfs/dbraw/zinc/59/30/96/603593096.db2.gz	QKYTTYDSEXHSDA-SECBINFHSA-N	-1	0	312.326	0.225	20	30		DCEDRM
C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825465291	603599245	/nfs/dbraw/zinc/59/92/45/603599245.db2.gz	JKADTXJPDCODHM-GXSJLCMTSA-N	-1	0	320.305	0.112	20	30		DCEDRM
N#CCN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)[O-])CC1	ZINC000831102231	603627423	/nfs/dbraw/zinc/62/74/23/603627423.db2.gz	CVEKQCAVQLXAPY-RDBSUJKOSA-N	-1	0	320.393	0.965	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000828365656	603651153	/nfs/dbraw/zinc/65/11/53/603651153.db2.gz	BKHSFIFSLJMOQB-OLZOCXBDSA-N	-1	0	303.318	0.630	20	30		DCEDRM
CN(CCNC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000828315718	603671736	/nfs/dbraw/zinc/67/17/36/603671736.db2.gz	BQTQTXYXAXJSOD-UHFFFAOYSA-N	-1	0	308.269	0.362	20	30		DCEDRM
C#CCCN1CCN(C(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1	ZINC000823444854	603720095	/nfs/dbraw/zinc/72/00/95/603720095.db2.gz	QSSBKIXOHSMONW-STQMWFEESA-N	-1	0	323.393	0.657	20	30		DCEDRM
Cc1ccc(CNC(=O)CN2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000830312340	603725505	/nfs/dbraw/zinc/72/55/05/603725505.db2.gz	GZQLSXMBIHAKOU-AWEZNQCLSA-N	-1	0	316.361	0.799	20	30		DCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)COC1CN(C(=O)[O-])C1	ZINC000828350446	603745733	/nfs/dbraw/zinc/74/57/33/603745733.db2.gz	HXCVLAPSUPGVGX-UHFFFAOYSA-N	-1	0	303.318	0.895	20	30		DCEDRM
C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])c1cccc(C#N)c1	ZINC000825082625	603867916	/nfs/dbraw/zinc/86/79/16/603867916.db2.gz	NULAFSVANQPKLT-XDTLVQLUSA-N	-1	0	303.318	0.849	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)C[C@@H]1CCCN(C(=O)[O-])C1	ZINC000831097205	603914240	/nfs/dbraw/zinc/91/42/40/603914240.db2.gz	FLWOWDWGXOPJEP-HNNXBMFYSA-N	-1	0	324.425	0.924	20	30		DCEDRM
Cc1cc(CS(=O)(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)no1	ZINC000830044065	603918396	/nfs/dbraw/zinc/91/83/96/603918396.db2.gz	CMRLRLYNDXKHMC-SNVBAGLBSA-N	-1	0	314.323	0.001	20	30		DCEDRM
C[S@@](=O)c1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000829699800	604068960	/nfs/dbraw/zinc/06/89/60/604068960.db2.gz	MVDXZMZXSVBPNM-RKFFSXRUSA-N	-1	0	321.358	0.752	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)[C@@H]1CCCCN1C(=O)[O-]	ZINC000828541876	604088558	/nfs/dbraw/zinc/08/85/58/604088558.db2.gz	HJIUQIZXAIPEJA-VIFPVBQESA-N	-1	0	315.399	0.105	20	30		DCEDRM
C#CCCCCNC(=O)NCCCN1CCN(C(=O)[O-])CC1	ZINC000823440632	604120836	/nfs/dbraw/zinc/12/08/36/604120836.db2.gz	CEDFQUNIBXMJSL-UHFFFAOYSA-N	-1	0	310.398	0.775	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)n1	ZINC000830985763	604154884	/nfs/dbraw/zinc/15/48/84/604154884.db2.gz	WBHHNWGSOLTVQE-VIFPVBQESA-N	-1	0	306.326	0.803	20	30		DCEDRM
CN(C(=O)[O-])[C@H]1CCN(c2ncnc3c2cnn3CCC#N)C1	ZINC000827901331	604223328	/nfs/dbraw/zinc/22/33/28/604223328.db2.gz	VOJPWNUJAWVATM-JTQLQIEISA-N	-1	0	315.337	0.928	20	30		DCEDRM
CN(C(=O)COC(=O)CC1(NC(=O)[O-])CCC1)C(C)(C)C#N	ZINC000827773832	604238047	/nfs/dbraw/zinc/23/80/47/604238047.db2.gz	BLNNWGCHWYZFPD-UHFFFAOYSA-N	-1	0	311.338	0.871	20	30		DCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)[C@H](C#N)C(=O)Nc1ccccn1	ZINC000824824680	604252898	/nfs/dbraw/zinc/25/28/98/604252898.db2.gz	NILFPDPIYKMBBL-ZJUUUORDSA-N	-1	0	304.306	0.975	20	30		DCEDRM
N#Cc1ccc(F)cc1COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000831131963	604321341	/nfs/dbraw/zinc/32/13/41/604321341.db2.gz	HOFLGIVVJUGXDN-RYUDHWBXSA-N	-1	0	308.265	0.854	20	30		DCEDRM
N#C[C@@H](C(=O)Nc1ccccn1)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000831066282	604388198	/nfs/dbraw/zinc/38/81/98/604388198.db2.gz	VXNUYEWPBODUMF-NXEZZACHSA-N	-1	0	318.289	0.108	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)C2(NC(=O)[O-])CC2)c1	ZINC000823475536	604430135	/nfs/dbraw/zinc/43/01/35/604430135.db2.gz	YWTLZCURZDAMJY-UHFFFAOYSA-N	-1	0	301.302	0.523	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc(C#N)nc2)CCO1	ZINC000825335935	604728176	/nfs/dbraw/zinc/72/81/76/604728176.db2.gz	PVVHQZZALFMCJP-SKDRFNHKSA-N	-1	0	304.306	0.450	20	30		DCEDRM
N#CC1(NC(=O)COC(=O)C2(NC(=O)[O-])CC2)CCCCC1	ZINC000831070631	604759578	/nfs/dbraw/zinc/75/95/78/604759578.db2.gz	PICNJOKAONZFMV-UHFFFAOYSA-N	-1	0	309.322	0.672	20	30		DCEDRM
COc1ccc(CCNN=C(C)c2cn(CC(=O)[O-])nn2)cc1	ZINC000832304980	604787568	/nfs/dbraw/zinc/78/75/68/604787568.db2.gz	ZMSZIUIMHYNVJA-UHFFFAOYSA-N	-1	0	317.349	0.928	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000833376179	605058800	/nfs/dbraw/zinc/05/88/00/605058800.db2.gz	VWZLNWPWZAUPHO-UHFFFAOYSA-N	-1	0	306.318	0.951	20	30		DCEDRM
C=CCc1ccc(OCC(=O)NC[C@H](O)C(=O)[O-])c(OC)c1	ZINC000833379675	605090454	/nfs/dbraw/zinc/09/04/54/605090454.db2.gz	JYMBXGDCPTUDAX-NSHDSACASA-N	-1	0	309.318	0.364	20	30		DCEDRM
C=CCN(CC=C)C(=O)COC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000823501168	605211295	/nfs/dbraw/zinc/21/12/95/605211295.db2.gz	RQABUMOCBJMQED-LLVKDONJSA-N	-1	0	312.322	0.109	20	30		DCEDRM
C=CCNC(=O)CNC(=O)NCCc1ccc(NC(=O)[O-])cc1	ZINC000833377227	605212702	/nfs/dbraw/zinc/21/27/02/605212702.db2.gz	SAPVZBFHVLZJLZ-UHFFFAOYSA-N	-1	0	320.349	0.920	20	30		DCEDRM
C[C@H](OC(=O)Cc1ccccc1CC#N)C(=O)NCC(=O)[O-]	ZINC000833529316	605222870	/nfs/dbraw/zinc/22/28/70/605222870.db2.gz	CIXGLFWDOJYYCJ-JTQLQIEISA-N	-1	0	304.302	0.428	20	30		DCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823506340	605345529	/nfs/dbraw/zinc/34/55/29/605345529.db2.gz	GTUZARHJCKPBGF-VHSXEESVSA-N	-1	0	311.363	0.483	20	30		DCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000824368613	605346226	/nfs/dbraw/zinc/34/62/26/605346226.db2.gz	OBRVASMKZKZVKJ-NXEZZACHSA-N	-1	0	313.379	0.705	20	30		DCEDRM
CN(CCNS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000833873537	605367670	/nfs/dbraw/zinc/36/76/70/605367670.db2.gz	YZHAXHYXDUFEGK-UHFFFAOYSA-N	-1	0	315.326	0.727	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000833366144	605418331	/nfs/dbraw/zinc/41/83/31/605418331.db2.gz	IIKQVIKCQGHQFS-UHFFFAOYSA-N	-1	0	301.295	0.452	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000833366246	605420689	/nfs/dbraw/zinc/42/06/89/605420689.db2.gz	NKYWZMYSWOLKIA-UHFFFAOYSA-N	-1	0	317.750	0.966	20	30		DCEDRM
COC[C@@](C)(C#N)NC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000828885457	605444337	/nfs/dbraw/zinc/44/43/37/605444337.db2.gz	FQHGFWSWPAOHSM-BXKDBHETSA-N	-1	0	301.368	0.517	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000833366145	605498144	/nfs/dbraw/zinc/49/81/44/605498144.db2.gz	IJEWFLLWPSCCGI-UHFFFAOYSA-N	-1	0	308.265	0.228	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)NCC2(NC(=O)[O-])CCC2)c1	ZINC000833975498	605602623	/nfs/dbraw/zinc/60/26/23/605602623.db2.gz	CGUGBZDTAXBKCW-UHFFFAOYSA-N	-1	0	316.317	0.803	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833375407	605693511	/nfs/dbraw/zinc/69/35/11/605693511.db2.gz	WCQYDMJWMYDBSU-CHWSQXEVSA-N	-1	0	324.377	0.525	20	30		DCEDRM
CC(C)C[C@@](C)(CNC(=O)[O-])NC(=O)Cn1cnc(C#N)n1	ZINC000824175590	605724782	/nfs/dbraw/zinc/72/47/82/605724782.db2.gz	BXZHIOZEMKQHBZ-ZDUSSCGKSA-N	-1	0	308.342	0.338	20	30		DCEDRM
N#CC1(COC(=O)CCOC2CN(C(=O)[O-])C2)CCOCC1	ZINC000833964003	605781370	/nfs/dbraw/zinc/78/13/70/605781370.db2.gz	AVFVHGFIMHUTJT-UHFFFAOYSA-N	-1	0	312.322	0.619	20	30		DCEDRM
N#C[C@]1(NC(=O)C[C@H]2CSCCN2C(=O)[O-])CCSC1	ZINC000831070942	605882598	/nfs/dbraw/zinc/88/25/98/605882598.db2.gz	VJNQCJAFBVRPIF-JOYOIKCWSA-N	-1	0	315.420	0.987	20	30		DCEDRM
CN(C(=O)COC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)C(C)(C)C#N	ZINC000827775393	605891981	/nfs/dbraw/zinc/89/19/81/605891981.db2.gz	RENQVOFQOKPNKM-SNVBAGLBSA-N	-1	0	313.354	0.972	20	30		DCEDRM
O=C([O-])Nc1ncccc1C=NNc1nc2[nH][nH]cc-2c(=O)n1	ZINC000834283745	605956092	/nfs/dbraw/zinc/95/60/92/605956092.db2.gz	VQZDQSXZPSPZBL-UHFFFAOYSA-N	-1	0	314.265	0.363	20	30		DCEDRM
O=C([O-])N1CCCC(N=Nc2nc3[nH][nH]cc-3c(=O)n2)CC1	ZINC000834096972	605992133	/nfs/dbraw/zinc/99/21/33/605992133.db2.gz	KNZUCYIJLYCZHB-UHFFFAOYSA-N	-1	0	305.298	0.364	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)CCN2CC[C@@H](NC(=O)[O-])C2)c1	ZINC000833977280	606007144	/nfs/dbraw/zinc/00/71/44/606007144.db2.gz	XEHWNBQGKQNCFW-GFCCVEGCSA-N	-1	0	323.374	0.674	20	30		DCEDRM
N#C[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C1CCCCC1	ZINC000833964771	606018026	/nfs/dbraw/zinc/01/80/26/606018026.db2.gz	PIJQLIMPVIIBJC-GFCCVEGCSA-N	-1	0	323.349	0.824	20	30		DCEDRM
O=C([O-])N1CCC(C=NNC2CCS(=O)(=O)CC2)CC1	ZINC000834074120	606079335	/nfs/dbraw/zinc/07/93/35/606079335.db2.gz	KEPFBEIBAVUUDX-UHFFFAOYSA-N	-1	0	303.384	0.529	20	30		DCEDRM
N#CCCn1ccc(NC(=O)CCOC2CN(C(=O)[O-])C2)n1	ZINC000833965747	606086760	/nfs/dbraw/zinc/08/67/60/606086760.db2.gz	QXDUZACWQHYSEK-UHFFFAOYSA-N	-1	0	307.310	0.504	20	30		DCEDRM
C=C(C)CN(CC)C(=O)Cn1cccc(-c2nnn[n-]2)c1=O	ZINC000819722321	606176649	/nfs/dbraw/zinc/17/66/49/606176649.db2.gz	GORHKZPJFFBQDL-UHFFFAOYSA-N	-1	0	302.338	0.453	20	30		DCEDRM
COc1ccc(C#N)cc1Cn1cccc(-c2nnn[n-]2)c1=O	ZINC000826186900	608152427	/nfs/dbraw/zinc/15/24/27/608152427.db2.gz	OZFGYFRJMVEGAE-UHFFFAOYSA-N	-1	0	308.301	0.957	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)C[C@H]2CCCCO2)C1	ZINC000906006820	663595352	/nfs/dbraw/zinc/59/53/52/663595352.db2.gz	IZERWFYXPBEFTB-LLVKDONJSA-N	-1	0	303.380	0.848	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@]1(CC(C)C)CCNC1=O	ZINC000870330877	667731718	/nfs/dbraw/zinc/73/17/18/667731718.db2.gz	HSFBTQZDJFZJTK-ZDUSSCGKSA-N	-1	0	300.380	0.008	20	30		DCEDRM
C#CC1(O)CN(C(=O)c2ccccc2[N-]S(=O)(=O)CC)C1	ZINC000890521654	657571817	/nfs/dbraw/zinc/57/18/17/657571817.db2.gz	NRQDEGHJHVRQJZ-UHFFFAOYSA-N	-1	0	308.359	0.268	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)[C@H]1CCCO1	ZINC000926544057	657910911	/nfs/dbraw/zinc/91/09/11/657910911.db2.gz	YYIOHHGQEMOMFD-UONOGXRCSA-N	-1	0	323.370	0.773	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2csc(C(=O)[O-])c2)CCO1	ZINC000093932644	657947293	/nfs/dbraw/zinc/94/72/93/657947293.db2.gz	WYAZHWYYIKZXJN-SSDOTTSWSA-N	-1	0	302.333	0.359	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000926549401	657952067	/nfs/dbraw/zinc/95/20/67/657952067.db2.gz	MWONPZIOGRPFMP-JTQLQIEISA-N	-1	0	313.306	0.547	20	30		DCEDRM
O=C([N-]S(=O)(=O)N1CCCC1)c1cn(-c2ccccc2)nn1	ZINC000052771623	657959091	/nfs/dbraw/zinc/95/90/91/657959091.db2.gz	WJKGRWRJJJOERR-UHFFFAOYSA-N	-1	0	321.362	0.913	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ZINC000049054845	658071059	/nfs/dbraw/zinc/07/10/59/658071059.db2.gz	IQIHFARFSKOWHE-UHFFFAOYSA-N	-1	0	322.320	0.263	20	30		DCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC000744242219	658164543	/nfs/dbraw/zinc/16/45/43/658164543.db2.gz	VZDDDOIMQPTSBU-SNVBAGLBSA-N	-1	0	311.363	0.638	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1C#N	ZINC000263205775	658215434	/nfs/dbraw/zinc/21/54/34/658215434.db2.gz	MXNFAOWSQDUDSB-JOYOIKCWSA-N	-1	0	323.374	0.993	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCOC[C@@H]1CCCO1	ZINC000776146971	659404514	/nfs/dbraw/zinc/40/45/14/659404514.db2.gz	SWKUGZZQHDDEMH-NSHDSACASA-N	-1	0	318.395	0.568	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)c1cc(C(=O)[O-])cs1	ZINC000814844865	661676318	/nfs/dbraw/zinc/67/63/18/661676318.db2.gz	QWNSRZFFPCNGKQ-UHFFFAOYSA-N	-1	0	314.392	0.380	20	30		DCEDRM
C#CCCCCC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000909432407	662066893	/nfs/dbraw/zinc/06/68/93/662066893.db2.gz	PCXBBAMQBDWXGU-ZDUSSCGKSA-N	-1	0	308.378	0.962	20	30		DCEDRM
CN(CC#N)C1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC000985692582	662500657	/nfs/dbraw/zinc/50/06/57/662500657.db2.gz	NCTDOZYCCQOZIN-UHFFFAOYSA-N	-1	0	314.349	0.083	20	30		DCEDRM
C[C@@H]1[C@H](NCC#N)CCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1	ZINC000986393331	662588143	/nfs/dbraw/zinc/58/81/43/662588143.db2.gz	AAAOYDMURCTYKL-MWLCHTKSSA-N	-1	0	301.350	0.776	20	30		DCEDRM
C[C@@H]1C[C@@H](NCC#N)CN1C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000989672953	662971054	/nfs/dbraw/zinc/97/10/54/662971054.db2.gz	RJATYGOMCPOHIJ-RKDXNWHRSA-N	-1	0	301.306	0.645	20	30		DCEDRM
CCN(CC1CC1)S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899925957	663201137	/nfs/dbraw/zinc/20/11/37/663201137.db2.gz	IALJKSGNJHIKEO-GFCCVEGCSA-N	-1	0	314.407	0.763	20	30		DCEDRM
C[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)C1	ZINC000899926935	663201349	/nfs/dbraw/zinc/20/13/49/663201349.db2.gz	QDOXDRKWOIVMGN-VXGBXAGGSA-N	-1	0	300.380	0.373	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(C#N)c1	ZINC000899935954	663202790	/nfs/dbraw/zinc/20/27/90/663202790.db2.gz	WRDWCLOEKOKMOM-PJXYFTJBSA-N	-1	0	306.343	0.818	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000902628289	663423495	/nfs/dbraw/zinc/42/34/95/663423495.db2.gz	RLNZGOSRHJOSQB-AWEZNQCLSA-N	-1	0	316.361	0.959	20	30		DCEDRM
C=CCOCCNC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC000905540808	663562256	/nfs/dbraw/zinc/56/22/56/663562256.db2.gz	YWSFFDBPYAPVFX-LBPRGKRZSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1	ZINC000905586734	663567361	/nfs/dbraw/zinc/56/73/61/663567361.db2.gz	XVSMEGUVBYASTD-HUBLWGQQSA-N	-1	0	312.366	0.995	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C	ZINC000906932607	663652386	/nfs/dbraw/zinc/65/23/86/663652386.db2.gz	GKLQAYCHYPSGOV-UHFFFAOYSA-N	-1	0	311.359	0.930	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000907015075	663660337	/nfs/dbraw/zinc/66/03/37/663660337.db2.gz	OOQCRWGIHUPNNW-MRVPVSSYSA-N	-1	0	301.345	0.469	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)C1	ZINC000907126093	663669429	/nfs/dbraw/zinc/66/94/29/663669429.db2.gz	BMVXSWAFXVDRFN-UHFFFAOYSA-N	-1	0	309.343	0.072	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(F)F)n(C)n1)C(=O)[O-]	ZINC000907668979	663710981	/nfs/dbraw/zinc/71/09/81/663710981.db2.gz	FWPLKKRYRRIQLE-QMMMGPOBSA-N	-1	0	303.265	0.743	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)OCc1ccncc1)C(=O)[O-]	ZINC000909772966	663800891	/nfs/dbraw/zinc/80/08/91/663800891.db2.gz	ZCGYRDMCPDMAFQ-WCQYABFASA-N	-1	0	308.334	0.759	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@H](NC(C)=O)c1ccccc1)C(=O)[O-]	ZINC000910051937	663836968	/nfs/dbraw/zinc/83/69/68/663836968.db2.gz	JEOYXWRTFXUQME-KBPBESRZSA-N	-1	0	302.330	0.847	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cccnc1N1CCOCC1)C(=O)[O-]	ZINC000910052368	663837249	/nfs/dbraw/zinc/83/72/49/663837249.db2.gz	VRWXAELIQPDOJS-GFCCVEGCSA-N	-1	0	303.318	0.125	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(=O)[O-]	ZINC000910053436	663837316	/nfs/dbraw/zinc/83/73/16/663837316.db2.gz	UILCCTUJYPMMIT-MNOVXSKESA-N	-1	0	304.277	0.844	20	30		DCEDRM
C#CC[C@H](NC(=O)c1c(C)nn2c1nc(C)cc2C)C(=O)[O-]	ZINC000910052048	663837434	/nfs/dbraw/zinc/83/74/34/663837434.db2.gz	MCAFVENVEQSSJR-NSHDSACASA-N	-1	0	300.318	0.861	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1nnn(-c2ccccc2)c1C)C(=O)[O-]	ZINC000910053325	663837459	/nfs/dbraw/zinc/83/74/59/663837459.db2.gz	QZCGNUMWFBBJBP-ZDUSSCGKSA-N	-1	0	312.329	0.711	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)C(=O)[O-]	ZINC000910052362	663837533	/nfs/dbraw/zinc/83/75/33/663837533.db2.gz	VPWZNKYDLTYRGU-GXTWGEPZSA-N	-1	0	314.341	0.941	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC000910269297	663862444	/nfs/dbraw/zinc/86/24/44/663862444.db2.gz	AAPFEMHMORFFQL-ZJUUUORDSA-N	-1	0	301.730	0.820	20	30		DCEDRM
C#CCn1cc(CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)cn1	ZINC000911716302	664101927	/nfs/dbraw/zinc/10/19/27/664101927.db2.gz	HMYVKTAIKOMIHA-QWHCGFSZSA-N	-1	0	305.334	0.545	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@@H](CO)NC(=O)OCc1ccccc1	ZINC000911902665	664122767	/nfs/dbraw/zinc/12/27/67/664122767.db2.gz	ZZEGRENVQQORTM-CYBMUJFWSA-N	-1	0	308.334	0.898	20	30		DCEDRM
N#CCCNS(=O)(=O)c1cc(C(=O)[O-])oc1Br	ZINC000055329914	664370136	/nfs/dbraw/zinc/37/01/36/664370136.db2.gz	GZFZISQNWHHKFH-UHFFFAOYSA-N	-1	0	323.124	0.932	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCCOC2)c1	ZINC000171040001	664600948	/nfs/dbraw/zinc/60/09/48/664600948.db2.gz	JPXNNEGUJYQRAN-ZDUSSCGKSA-N	-1	0	308.359	0.931	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)CCOC2	ZINC000171402272	664607990	/nfs/dbraw/zinc/60/79/90/664607990.db2.gz	HXEFGYXFKBZEIC-JTQLQIEISA-N	-1	0	308.359	0.906	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccccc2OCC(N)=O)[n-]c1C#N	ZINC000914532897	664802303	/nfs/dbraw/zinc/80/23/03/664802303.db2.gz	YQRQAINQQLLBHW-UHFFFAOYSA-N	-1	0	310.273	0.269	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1	ZINC000153394153	664833957	/nfs/dbraw/zinc/83/39/57/664833957.db2.gz	PTLQFCVDTMNQAU-VIFPVBQESA-N	-1	0	313.273	0.849	20	30		DCEDRM
CNC(=S)NN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000731559848	664871201	/nfs/dbraw/zinc/87/12/01/664871201.db2.gz	MENVBMZZWQRJCJ-UHFFFAOYSA-N	-1	0	312.307	0.486	20	30		DCEDRM
Cc1ccn2c(c1)ncc(C(=O)Nc1nc(C#N)c(C#N)[n-]1)c2=O	ZINC000915641777	664934826	/nfs/dbraw/zinc/93/48/26/664934826.db2.gz	QVIJQJCVFOADOR-UHFFFAOYSA-N	-1	0	319.284	0.722	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])n1C	ZINC000916870641	665098104	/nfs/dbraw/zinc/09/81/04/665098104.db2.gz	LUMMWFPFHJXBHF-VIFPVBQESA-N	-1	0	308.294	0.408	20	30		DCEDRM
C#CC[C@H](CO)[N-]S(=O)(=O)c1occc1Br	ZINC000916905639	665101429	/nfs/dbraw/zinc/10/14/29/665101429.db2.gz	BTCUUEJDBCSUBP-SSDOTTSWSA-N	-1	0	308.153	0.705	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(CNC(N)=O)cc1	ZINC000916946780	665104275	/nfs/dbraw/zinc/10/42/75/665104275.db2.gz	KDRDLXSKHGKNCY-GFCCVEGCSA-N	-1	0	302.334	0.702	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000766985978	665276800	/nfs/dbraw/zinc/27/68/00/665276800.db2.gz	LODJFQOAHHMVOE-UHFFFAOYSA-N	-1	0	310.331	0.574	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H]2CCCN2C(=O)[C@@H](C)C#N)c1[O-]	ZINC001002925631	666246164	/nfs/dbraw/zinc/24/61/64/666246164.db2.gz	UFQRVSRDSDAFHR-GXSJLCMTSA-N	-1	0	319.365	0.646	20	30		DCEDRM
CS(=O)(=O)CCNN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000733205728	666347215	/nfs/dbraw/zinc/34/72/15/666347215.db2.gz	JANLTAFCOUEHER-UHFFFAOYSA-N	-1	0	321.742	0.922	20	30		DCEDRM
Cc1nc(C)c(CC(=O)N[C@@H]2CCN(CC#N)C[C@H]2C)c(=O)[nH]1	ZINC000944890445	666539353	/nfs/dbraw/zinc/53/93/53/666539353.db2.gz	LPOSSCVTRGQDGY-QMTHXVAHSA-N	-1	0	317.393	0.692	20	30		DCEDRM
COc1ncc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000734079431	666843808	/nfs/dbraw/zinc/84/38/08/666843808.db2.gz	PERSHDRHNCRFOE-UHFFFAOYSA-N	-1	0	318.314	0.476	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1	ZINC000861159495	666906200	/nfs/dbraw/zinc/90/62/00/666906200.db2.gz	WEBQIXCPVJPOGI-VIFPVBQESA-N	-1	0	324.349	0.701	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000734967365	666929408	/nfs/dbraw/zinc/92/94/08/666929408.db2.gz	ARQRGVPJJSRQAE-UHFFFAOYSA-N	-1	0	317.326	0.837	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])c2cn(C)c(=O)n(C)c2=O)n1	ZINC000735204463	666969285	/nfs/dbraw/zinc/96/92/85/666969285.db2.gz	XBDXJEOFJALHML-MRVPVSSYSA-N	-1	0	304.331	0.339	20	30		DCEDRM
C#CC[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1	ZINC000862576099	667049089	/nfs/dbraw/zinc/04/90/89/667049089.db2.gz	DPLWQIBUIZKHJI-LLVKDONJSA-N	-1	0	307.375	0.939	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000863408588	667140180	/nfs/dbraw/zinc/14/01/80/667140180.db2.gz	RBJVMCHRTCBMIO-MRVPVSSYSA-N	-1	0	302.333	0.330	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000863421247	667142169	/nfs/dbraw/zinc/14/21/69/667142169.db2.gz	QARQPNOASGNABU-MRVPVSSYSA-N	-1	0	307.759	0.603	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)[O-]	ZINC000863421606	667142208	/nfs/dbraw/zinc/14/22/08/667142208.db2.gz	YUPYQGQEHUNFEP-MRVPVSSYSA-N	-1	0	307.759	0.603	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C[C@@H]1CCOC[C@H]1OCC)C(=O)[O-]	ZINC000864146194	667219444	/nfs/dbraw/zinc/21/94/44/667219444.db2.gz	RXFKMOKGCMPWCW-RWMBFGLXSA-N	-1	0	315.366	0.590	20	30		DCEDRM
C=CCC[C@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-]	ZINC000864142956	667219492	/nfs/dbraw/zinc/21/94/92/667219492.db2.gz	XKGYPWNPAPXIJM-YIZRAAEISA-N	-1	0	311.256	0.868	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)C(=O)[O-]	ZINC000864184175	667222921	/nfs/dbraw/zinc/22/29/21/667222921.db2.gz	OUXYQBCKJQZQAD-QMMMGPOBSA-N	-1	0	316.701	0.812	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@H]1CC2(CO1)CCOCC2	ZINC000864547460	667260887	/nfs/dbraw/zinc/26/08/87/667260887.db2.gz	JYDJDUPBMPWTLJ-GFCCVEGCSA-N	-1	0	312.366	0.854	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]N2CCCC2=O)c(F)c1	ZINC000867593723	667473113	/nfs/dbraw/zinc/47/31/13/667473113.db2.gz	BUPMKYSLZZKKPR-UHFFFAOYSA-N	-1	0	301.274	0.652	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2C[C@@H]3CSC[C@@H]3C2)c(=O)[n-]c1=O	ZINC000923996328	667551417	/nfs/dbraw/zinc/55/14/17/667551417.db2.gz	IPESEUQMZJQQLR-PHIMTYICSA-N	-1	0	320.374	0.032	20	30		DCEDRM
CC[C@@](C)(CO)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000838209195	667678936	/nfs/dbraw/zinc/67/89/36/667678936.db2.gz	LNRZRJNNSYAVQE-AWEZNQCLSA-N	-1	0	304.306	0.758	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1	ZINC000838915658	667717724	/nfs/dbraw/zinc/71/77/24/667717724.db2.gz	WKWGOWKIMYNWEV-UHFFFAOYSA-N	-1	0	306.347	0.956	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)C(=O)OC	ZINC000841540343	667731055	/nfs/dbraw/zinc/73/10/55/667731055.db2.gz	OMPFHWICNVJGML-ZJUUUORDSA-N	-1	0	309.334	0.906	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CNC(=O)c1ccccc1	ZINC000123106289	667736055	/nfs/dbraw/zinc/73/60/55/667736055.db2.gz	UIPQBYZZILBGNB-GFCCVEGCSA-N	-1	0	310.313	0.742	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1	ZINC000870831930	667764874	/nfs/dbraw/zinc/76/48/74/667764874.db2.gz	LWKIFRITPJAPNF-SNVBAGLBSA-N	-1	0	314.407	0.798	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]2CCCO2)CC1	ZINC000870832681	667765021	/nfs/dbraw/zinc/76/50/21/667765021.db2.gz	DEQIZZTUTVJZDY-QWRGUYRKSA-N	-1	0	303.380	0.735	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@]23CCC(=O)N2CCS3)CC1	ZINC000870831822	667765084	/nfs/dbraw/zinc/76/50/84/667765084.db2.gz	HLUKKBLHQPMPCN-LBPRGKRZSA-N	-1	0	316.404	0.217	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](OCC)[C@H]2CCOC2)CC1	ZINC000870839753	667765337	/nfs/dbraw/zinc/76/53/37/667765337.db2.gz	VEPLAAGYAMAHIW-WDEREUQCSA-N	-1	0	303.380	0.593	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2(=O)=O)CC1	ZINC000870835945	667765476	/nfs/dbraw/zinc/76/54/76/667765476.db2.gz	OFUDCYZNPDWPCW-VIFPVBQESA-N	-1	0	307.393	0.118	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COCc2nnc(C)s2)CC1	ZINC000870838128	667765484	/nfs/dbraw/zinc/76/54/84/667765484.db2.gz	MMOBBWIBBZDEGV-UHFFFAOYSA-N	-1	0	317.392	0.528	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2(COC)CCOCC2)CC1	ZINC000870838089	667765570	/nfs/dbraw/zinc/76/55/70/667765570.db2.gz	LARLFRMCENGIAW-UHFFFAOYSA-N	-1	0	303.380	0.594	20	30		DCEDRM
C#CCN(CC)S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC	ZINC000871828856	667854079	/nfs/dbraw/zinc/85/40/79/667854079.db2.gz	IJYBRIWAESZZAS-UHFFFAOYSA-N	-1	0	311.359	0.966	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F	ZINC000871940484	667858659	/nfs/dbraw/zinc/85/86/59/667858659.db2.gz	SWWURXDIIXKJOT-UHFFFAOYSA-N	-1	0	315.322	0.760	20	30		DCEDRM
N#Cc1ccccc1/C=C/C(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000747752536	667911741	/nfs/dbraw/zinc/91/17/41/667911741.db2.gz	YGOAPEIKXUTKSE-AATRIKPKSA-N	-1	0	321.358	0.265	20	30		DCEDRM
COCCn1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cn1	ZINC000747790971	667911977	/nfs/dbraw/zinc/91/19/77/667911977.db2.gz	HERVYOYKBPEAMU-UHFFFAOYSA-N	-1	0	322.346	0.908	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2C[C@H](O)C2)c(F)c1	ZINC000872578740	667913794	/nfs/dbraw/zinc/91/37/94/667913794.db2.gz	LTQBMOOYXLKOIF-KYZUINATSA-N	-1	0	302.302	0.886	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@@H]2C2CCCC2)c(=O)[n-]c1=O	ZINC000889413740	667964919	/nfs/dbraw/zinc/96/49/19/667964919.db2.gz	GDYXTQYZTMHYRF-GFCCVEGCSA-N	-1	0	302.334	0.612	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cccc(OC)n1	ZINC000752162989	668013694	/nfs/dbraw/zinc/01/36/94/668013694.db2.gz	LGGXNOQVCAWUIV-NSHDSACASA-N	-1	0	305.334	0.955	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cccc(OC)n1	ZINC000752162988	668013745	/nfs/dbraw/zinc/01/37/45/668013745.db2.gz	LGGXNOQVCAWUIV-LLVKDONJSA-N	-1	0	305.334	0.955	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCCNC(=O)C2CC2)CC1	ZINC000753945153	668038596	/nfs/dbraw/zinc/03/85/96/668038596.db2.gz	LCBDZLXCDIEQOQ-UHFFFAOYSA-N	-1	0	313.379	0.043	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000756498964	668090582	/nfs/dbraw/zinc/09/05/82/668090582.db2.gz	PNNLEXZFMDFMMF-UHFFFAOYSA-N	-1	0	324.358	0.490	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)N(C)CCOC)OCC	ZINC000756572481	668093769	/nfs/dbraw/zinc/09/37/69/668093769.db2.gz	KOLXTSXVHQTWHG-NSHDSACASA-N	-1	0	308.400	0.297	20	30		DCEDRM
COCCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000757332929	668125967	/nfs/dbraw/zinc/12/59/67/668125967.db2.gz	RQLXKEGONSHGNN-UHFFFAOYSA-N	-1	0	311.363	0.040	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000758576937	668185017	/nfs/dbraw/zinc/18/50/17/668185017.db2.gz	JSKDEUBXALARDA-UHFFFAOYSA-N	-1	0	318.314	0.232	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000759645242	668230182	/nfs/dbraw/zinc/23/01/82/668230182.db2.gz	SGUZZHONDWGCFZ-UHFFFAOYSA-N	-1	0	316.360	0.538	20	30		DCEDRM
CCC(=NNC(=S)NCC(N)=O)c1ccc(C(=O)[O-])cc1	ZINC000760259903	668265120	/nfs/dbraw/zinc/26/51/20/668265120.db2.gz	YTFHRSDUMBPBEK-UHFFFAOYSA-N	-1	0	308.363	0.448	20	30		DCEDRM
COC(=O)c1ccc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)[nH]1	ZINC000761806338	668337246	/nfs/dbraw/zinc/33/72/46/668337246.db2.gz	YTKWMTOUWMNSSU-XQRVVYSFSA-N	-1	0	303.274	0.497	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(S(N)(=O)=O)c(C)c1	ZINC000762023408	668343882	/nfs/dbraw/zinc/34/38/82/668343882.db2.gz	WGJQCGUPHUMDPV-UHFFFAOYSA-N	-1	0	312.347	0.355	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cc1	ZINC000762133766	668348388	/nfs/dbraw/zinc/34/83/88/668348388.db2.gz	PWZJNKICHBBITQ-LBPRGKRZSA-N	-1	0	324.358	0.420	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000876072197	668411256	/nfs/dbraw/zinc/41/12/56/668411256.db2.gz	UWQYTTLODKPDEB-VIFPVBQESA-N	-1	0	308.300	0.988	20	30		DCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000764214045	668439720	/nfs/dbraw/zinc/43/97/20/668439720.db2.gz	BAGWDPJIZNVDSN-JTQLQIEISA-N	-1	0	312.347	0.418	20	30		DCEDRM
CC(=NNc1nc2[nH][nH]cc-2c(=O)n1)c1cccc(C(=O)[O-])c1	ZINC000764688227	668457386	/nfs/dbraw/zinc/45/73/86/668457386.db2.gz	ZWMFDSHRVOSXMG-UHFFFAOYSA-N	-1	0	312.289	0.966	20	30		DCEDRM
CCCn1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)nn1	ZINC000766617643	668540478	/nfs/dbraw/zinc/54/04/78/668540478.db2.gz	MOYWNOULNQSJLG-UHFFFAOYSA-N	-1	0	319.346	0.678	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccnc2)cn1	ZINC000766907485	668550317	/nfs/dbraw/zinc/55/03/17/668550317.db2.gz	ZUFDVLFVWCFRDL-UHFFFAOYSA-N	-1	0	302.315	0.608	20	30		DCEDRM
CS(=O)(=O)c1ccccc1N=NCc1cn(CC(=O)[O-])nn1	ZINC000768486043	668611800	/nfs/dbraw/zinc/61/18/00/668611800.db2.gz	WRBKHOQOZJIQIJ-UHFFFAOYSA-N	-1	0	323.334	0.212	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC#N)c2)cn1	ZINC000769624583	668656038	/nfs/dbraw/zinc/65/60/38/668656038.db2.gz	LTCNILPGEDJILP-UHFFFAOYSA-N	-1	0	321.318	0.389	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2coc(C(N)=O)c2)CCC1	ZINC000771057903	668729686	/nfs/dbraw/zinc/72/96/86/668729686.db2.gz	NEXQLWPAHUOSFO-UHFFFAOYSA-N	-1	0	311.319	0.132	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)nn1C	ZINC000773939708	668817727	/nfs/dbraw/zinc/81/77/27/668817727.db2.gz	WWBPZQDJROXPLX-UHFFFAOYSA-N	-1	0	320.330	0.419	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)c(F)c1	ZINC000774044144	668820555	/nfs/dbraw/zinc/82/05/55/668820555.db2.gz	QYJHUBGTMVWEMX-LLVKDONJSA-N	-1	0	321.308	0.869	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000775310412	668860360	/nfs/dbraw/zinc/86/03/60/668860360.db2.gz	NLRMWIJBOWIYHL-UHFFFAOYSA-N	-1	0	311.315	0.260	20	30		DCEDRM
C=CCCOCCCCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000776088411	668870563	/nfs/dbraw/zinc/87/05/63/668870563.db2.gz	KLJGCUWFFDYDDU-LBPRGKRZSA-N	-1	0	305.396	0.984	20	30		DCEDRM
COC(=O)[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000776115940	668871079	/nfs/dbraw/zinc/87/10/79/668871079.db2.gz	ANYQEYAXEKXTDK-MNOVXSKESA-N	-1	0	316.379	0.716	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCOC[C@H]1CCCO1	ZINC000776122208	668871276	/nfs/dbraw/zinc/87/12/76/668871276.db2.gz	BHUSTHINUGTGLX-LLVKDONJSA-N	-1	0	304.368	0.322	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C[C@@H]1CSCCS1	ZINC000776122873	668871383	/nfs/dbraw/zinc/87/13/83/668871383.db2.gz	UMLJJNJTESROJO-SECBINFHSA-N	-1	0	308.450	0.975	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)N(CCO)CCC(=O)[O-]	ZINC000776679275	668879810	/nfs/dbraw/zinc/87/98/10/668879810.db2.gz	PDZONRYXERXMLU-UHFFFAOYSA-N	-1	0	312.347	0.157	20	30		DCEDRM
N#CCn1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cn1	ZINC000777931520	668893019	/nfs/dbraw/zinc/89/30/19/668893019.db2.gz	YZYPCXYFICNALP-UHFFFAOYSA-N	-1	0	306.303	0.936	20	30		DCEDRM
CCCC(=O)NCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779316035	668909402	/nfs/dbraw/zinc/90/94/02/668909402.db2.gz	KZSBUQYGQLETIQ-UHFFFAOYSA-N	-1	0	315.395	0.433	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)nn1C	ZINC000779314120	668909656	/nfs/dbraw/zinc/90/96/56/668909656.db2.gz	WTWDCXDOZYAERZ-UHFFFAOYSA-N	-1	0	310.379	0.872	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1	ZINC000781727130	669057457	/nfs/dbraw/zinc/05/74/57/669057457.db2.gz	GAYUTDMQTZMQII-UHFFFAOYSA-N	-1	0	314.392	0.355	20	30		DCEDRM
N#Cc1cc(C(=O)OCCOCC[N-]C(=O)C(F)(F)F)c[nH]1	ZINC000782647632	669115134	/nfs/dbraw/zinc/11/51/34/669115134.db2.gz	STMKHWXAKMSGKC-UHFFFAOYSA-N	-1	0	319.239	0.738	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCC1=O	ZINC000783428163	669158096	/nfs/dbraw/zinc/15/80/96/669158096.db2.gz	IADCBXLGGNKZSU-NXEZZACHSA-N	-1	0	300.380	0.987	20	30		DCEDRM
COCCCOCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000784543447	669210164	/nfs/dbraw/zinc/21/01/64/669210164.db2.gz	CVCWCZFPXRSYQG-UHFFFAOYSA-N	-1	0	320.305	0.403	20	30		DCEDRM
C=CCN1CC[C@@H](n2cc(C[N-]C(=O)C(F)(F)F)nn2)C1=O	ZINC000881336353	669325349	/nfs/dbraw/zinc/32/53/49/669325349.db2.gz	QEYRIBOJRHWEOZ-SECBINFHSA-N	-1	0	317.271	0.416	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1	ZINC000129484378	669471581	/nfs/dbraw/zinc/47/15/81/669471581.db2.gz	UEAZMHUOWLGYTA-LLVKDONJSA-N	-1	0	310.331	0.422	20	30		DCEDRM
C#CC[C@@H](CO)[N-]S(=O)(=O)c1onc(C2CC2)c1Cl	ZINC000882341554	669504898	/nfs/dbraw/zinc/50/48/98/669504898.db2.gz	WPCIQGHQQATAID-QMMMGPOBSA-N	-1	0	304.755	0.868	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1nccs1	ZINC000791110732	669594454	/nfs/dbraw/zinc/59/44/54/669594454.db2.gz	WQCRMEPVRVBNSQ-SNVBAGLBSA-N	-1	0	313.404	0.581	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cn(C(C)(C)C)nn1	ZINC000791835725	669632831	/nfs/dbraw/zinc/63/28/31/669632831.db2.gz	FNANKPJGFDWINJ-VIFPVBQESA-N	-1	0	300.322	0.972	20	30		DCEDRM
CCOc1cccnc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194399	669706846	/nfs/dbraw/zinc/70/68/46/669706846.db2.gz	JUOIPFWQXFXZLC-UHFFFAOYSA-N	-1	0	309.347	0.844	20	30		DCEDRM
Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793205097	669707089	/nfs/dbraw/zinc/70/70/89/669707089.db2.gz	WKOVNLXLSLSFNA-UHFFFAOYSA-N	-1	0	319.346	0.401	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1	ZINC000797726588	669973899	/nfs/dbraw/zinc/97/38/99/669973899.db2.gz	JZFDVLGGELZAFZ-GHMZBOCLSA-N	-1	0	318.395	0.624	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1c(C)nn(C)c1C	ZINC000798203140	669992243	/nfs/dbraw/zinc/99/22/43/669992243.db2.gz	UBFHDVWBSMDHQW-JTQLQIEISA-N	-1	0	311.407	0.685	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)C1CCCCC1)n1cnc(C#N)n1	ZINC000798822478	670026000	/nfs/dbraw/zinc/02/60/00/670026000.db2.gz	YOORSFLMPFVECX-SECBINFHSA-N	-1	0	311.367	0.489	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CCN(C(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC000948097243	670060754	/nfs/dbraw/zinc/06/07/54/670060754.db2.gz	YQGHNGNMSAIJFS-QMMMGPOBSA-N	-1	0	305.338	0.304	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cncc(-n2ccnn2)c1	ZINC000802037785	670148998	/nfs/dbraw/zinc/14/89/98/670148998.db2.gz	SWSVARBKGVXFCJ-CYBMUJFWSA-N	-1	0	310.317	0.607	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC	ZINC000802154692	670153204	/nfs/dbraw/zinc/15/32/04/670153204.db2.gz	IVRFNTZXRFFTBA-GMTAPVOTSA-N	-1	0	321.395	0.611	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(=O)N2)CCC1	ZINC000809000309	670434921	/nfs/dbraw/zinc/43/49/21/670434921.db2.gz	OGJUXFHKPOBCKL-JTQLQIEISA-N	-1	0	313.379	0.185	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cccc(C#N)n1	ZINC000810527188	670488322	/nfs/dbraw/zinc/48/83/22/670488322.db2.gz	JHZUNDJUJFTBIM-GFCCVEGCSA-N	-1	0	300.318	0.819	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc2ccccc2c(=O)n1C	ZINC000810776407	670497159	/nfs/dbraw/zinc/49/71/59/670497159.db2.gz	RSPPTJPAICPTOT-UHFFFAOYSA-N	-1	0	318.354	0.621	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(F)cc1	ZINC000810777591	670497262	/nfs/dbraw/zinc/49/72/62/670497262.db2.gz	JZSZLICGVRFLBI-UHFFFAOYSA-N	-1	0	312.322	0.025	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc(OCC2CC2)cn1	ZINC000810776175	670497289	/nfs/dbraw/zinc/49/72/89/670497289.db2.gz	JINCRMJIOHCWMY-UHFFFAOYSA-N	-1	0	309.347	0.348	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CN(C)C(=O)c2ccccc21	ZINC000810780631	670497378	/nfs/dbraw/zinc/49/73/78/670497378.db2.gz	KPOIRMUDQWDRSE-ZDUSSCGKSA-N	-1	0	320.370	0.325	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(OC)c1	ZINC000810779372	670497502	/nfs/dbraw/zinc/49/75/02/670497502.db2.gz	JRLYKSMDBJIGEH-UHFFFAOYSA-N	-1	0	312.303	0.686	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COc1cc(F)cc(F)c1	ZINC000810778606	670497585	/nfs/dbraw/zinc/49/75/85/670497585.db2.gz	FSOGAZGXDQNCHA-UHFFFAOYSA-N	-1	0	303.286	0.813	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(CNC(C)=O)s1	ZINC000810781266	670497784	/nfs/dbraw/zinc/49/77/84/670497784.db2.gz	MBLCVYDYMQDYJB-UHFFFAOYSA-N	-1	0	314.388	0.467	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1cccc(C(=O)NC)c1	ZINC000810783709	670497962	/nfs/dbraw/zinc/49/79/62/670497962.db2.gz	ATGCMEMLCKLKRM-UHFFFAOYSA-N	-1	0	322.386	0.448	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)cs1	ZINC000810785213	670498020	/nfs/dbraw/zinc/49/80/20/670498020.db2.gz	BJBUHDMTRZWTGG-UHFFFAOYSA-N	-1	0	321.401	0.235	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C(N)=O)cn2C)CC1	ZINC000810981617	670501749	/nfs/dbraw/zinc/50/17/49/670501749.db2.gz	UIMVOEVWTKTAPU-UHFFFAOYSA-N	-1	0	311.363	0.292	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1scc2c1OCCO2	ZINC000847699201	670592130	/nfs/dbraw/zinc/59/21/30/670592130.db2.gz	NRAQLFXUPAEMGW-UHFFFAOYSA-N	-1	0	301.345	0.602	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)n(CC)c2c1	ZINC000847698775	670592545	/nfs/dbraw/zinc/59/25/45/670592545.db2.gz	HADFLMVAJLJZHD-UHFFFAOYSA-N	-1	0	321.358	0.845	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2ncccn2)CCCC1	ZINC000813080206	670610100	/nfs/dbraw/zinc/61/01/00/670610100.db2.gz	CVNPVHBIFGAUKN-UHFFFAOYSA-N	-1	0	322.390	0.939	20	30		DCEDRM
COCc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)o1	ZINC000813981622	670667544	/nfs/dbraw/zinc/66/75/44/670667544.db2.gz	GLMVIDXGQVMSQE-UHFFFAOYSA-N	-1	0	321.314	0.811	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1	ZINC000855027270	670671326	/nfs/dbraw/zinc/67/13/26/670671326.db2.gz	DNDSRARMNASRAO-LEWSCRJBSA-N	-1	0	305.334	0.602	20	30		DCEDRM
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000848599492	670701198	/nfs/dbraw/zinc/70/11/98/670701198.db2.gz	KRGLCNIWWPNQDQ-VHSXEESVSA-N	-1	0	319.317	0.753	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000814844657	670704682	/nfs/dbraw/zinc/70/46/82/670704682.db2.gz	MYWWBBNMFYWFKF-VXNVDRBHSA-N	-1	0	300.384	0.073	20	30		DCEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000814843521	670705102	/nfs/dbraw/zinc/70/51/02/670705102.db2.gz	YCTZAVXBAWMIGK-UHFFFAOYSA-N	-1	0	304.310	0.865	20	30		DCEDRM
CC(=NNS(C)(=O)=O)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814872928	670706942	/nfs/dbraw/zinc/70/69/42/670706942.db2.gz	DXJNTHWOMDHEMG-SECBINFHSA-N	-1	0	300.336	0.812	20	30		DCEDRM
CC(Cn1cc(Br)ccc1=O)=NNCC(=O)[O-]	ZINC000814958764	670710384	/nfs/dbraw/zinc/71/03/84/670710384.db2.gz	PXGPDOYAJYCSKE-UHFFFAOYSA-N	-1	0	302.128	0.661	20	30		DCEDRM
Cc1nc2cc[n-]n2c(=O)c1CC(=O)OCCOCCC#N	ZINC000815209758	670723481	/nfs/dbraw/zinc/72/34/81/670723481.db2.gz	DACUTTBLAUBFKL-UHFFFAOYSA-N	-1	0	304.306	0.347	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1	ZINC000855603083	670734756	/nfs/dbraw/zinc/73/47/56/670734756.db2.gz	LHYIBZVETMLYSY-STQMWFEESA-N	-1	0	322.361	0.649	20	30		DCEDRM
C#CCO[N-]C(=O)[C@](C)(O)CN1c2ccccc2C(C)(C)C1=O	ZINC000855607040	670735087	/nfs/dbraw/zinc/73/50/87/670735087.db2.gz	VJIXTUKFWQPXPA-QGZVFWFLSA-N	-1	0	316.357	0.743	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)cs1	ZINC000849218902	670765954	/nfs/dbraw/zinc/76/59/54/670765954.db2.gz	BGLBHLARCQQWPY-UHFFFAOYSA-N	-1	0	317.344	0.243	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)CC2	ZINC000849219609	670766833	/nfs/dbraw/zinc/76/68/33/670766833.db2.gz	QZQKXTFXZMCTAP-UHFFFAOYSA-N	-1	0	307.327	0.524	20	30		DCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ncc(C#N)cc1C	ZINC000815894948	670770594	/nfs/dbraw/zinc/77/05/94/670770594.db2.gz	XKFHNMBTFLMQRH-UHFFFAOYSA-N	-1	0	320.330	0.985	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000815997412	670778781	/nfs/dbraw/zinc/77/87/81/670778781.db2.gz	LCRXFOJTJOPXBZ-SNVBAGLBSA-N	-1	0	309.347	0.358	20	30		DCEDRM
COCC1(S(=O)(=O)[N-]C(=O)c2ncc(C#N)cc2C)CC1	ZINC000816090253	670785537	/nfs/dbraw/zinc/78/55/37/670785537.db2.gz	DAZLAFXZKIEEOH-UHFFFAOYSA-N	-1	0	309.347	0.500	20	30		DCEDRM
CCn1ncc(Cl)c1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000857017261	670874014	/nfs/dbraw/zinc/87/40/14/670874014.db2.gz	GYVSPCNEKCGYTK-UHFFFAOYSA-N	-1	0	316.770	0.920	20	30		DCEDRM
C[C@@H]1C(=O)N(N=Cc2ccccc2OCC(=O)[O-])C(=O)N1C	ZINC000857218160	670897286	/nfs/dbraw/zinc/89/72/86/670897286.db2.gz	MTTARYFKDHHBNZ-SECBINFHSA-N	-1	0	305.290	0.766	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000817116747	670897683	/nfs/dbraw/zinc/89/76/83/670897683.db2.gz	ZHMKRINRWWVVDL-UHFFFAOYSA-N	-1	0	320.370	0.484	20	30		DCEDRM
COc1ccc(C=NN[C@@H]2CCC[C@H]2O)c(OCC(=O)[O-])c1	ZINC000817332946	670912359	/nfs/dbraw/zinc/91/23/59/670912359.db2.gz	HVONQJZUBVQREC-CHWSQXEVSA-N	-1	0	308.334	0.996	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc2c1CCN(C)C2=O	ZINC000850476144	670916938	/nfs/dbraw/zinc/91/69/38/670916938.db2.gz	IFFUIFFAJOKXCK-UHFFFAOYSA-N	-1	0	317.345	0.877	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1	ZINC000850848250	670949240	/nfs/dbraw/zinc/94/92/40/670949240.db2.gz	ULEMBWUWMAPISC-JTQLQIEISA-N	-1	0	323.374	0.743	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)CC2CCC2)CCOCC1	ZINC000850909233	670953687	/nfs/dbraw/zinc/95/36/87/670953687.db2.gz	JOESHPJAGFVDIS-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21	ZINC000850913750	670954109	/nfs/dbraw/zinc/95/41/09/670954109.db2.gz	VHEHSLMMHQGHKG-HBNTYKKESA-N	-1	0	300.380	0.313	20	30		DCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)[C@@H]1CCCO1	ZINC000850940572	670956486	/nfs/dbraw/zinc/95/64/86/670956486.db2.gz	PWECMIXMHMTOQP-QWRGUYRKSA-N	-1	0	300.380	0.941	20	30		DCEDRM
COc1cccc([C@H](OC)C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000851016433	670961417	/nfs/dbraw/zinc/96/14/17/670961417.db2.gz	UOFIVAHXPSJJJX-LBPRGKRZSA-N	-1	0	312.347	0.742	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1(CC)CC1	ZINC000851052860	670964884	/nfs/dbraw/zinc/96/48/84/670964884.db2.gz	JXLVFQXCUTUWCW-NSHDSACASA-N	-1	0	302.396	0.846	20	30		DCEDRM
C=CCOCCCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000818315098	671002452	/nfs/dbraw/zinc/00/24/52/671002452.db2.gz	DDROVJSKQNDGGY-NSHDSACASA-N	-1	0	308.338	0.733	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](NC=O)C(C)C)n1	ZINC000860380880	671203107	/nfs/dbraw/zinc/20/31/07/671203107.db2.gz	SHVPXFYEWMFKKF-PWSUYJOCSA-N	-1	0	323.374	0.942	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)nn1	ZINC000820509023	671207074	/nfs/dbraw/zinc/20/70/74/671207074.db2.gz	DRKHRHAVKQNZOX-UHFFFAOYSA-N	-1	0	311.367	0.464	20	30		DCEDRM
COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(C#N)s1)OC	ZINC000853203091	671217970	/nfs/dbraw/zinc/21/79/70/671217970.db2.gz	KDLISZHSTTXBRU-MRVPVSSYSA-N	-1	0	318.376	0.341	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000853205742	671218753	/nfs/dbraw/zinc/21/87/53/671218753.db2.gz	JLBUKXCZGXTQOK-YPMHNXCESA-N	-1	0	323.411	0.323	20	30		DCEDRM
O=C([O-])c1ccc(C=NN[C@H]2CCS(=O)(=O)C2)cc1F	ZINC000853251670	671224210	/nfs/dbraw/zinc/22/42/10/671224210.db2.gz	AXBFZGKCYOUZQV-VIFPVBQESA-N	-1	0	300.311	0.635	20	30		DCEDRM
COC(=O)c1oc(C=Nn2c(=O)c(C)n[n-]c2=S)cc1C	ZINC000853266803	671224496	/nfs/dbraw/zinc/22/44/96/671224496.db2.gz	SIUCVRQBOFQWPF-UHFFFAOYSA-N	-1	0	308.319	0.806	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2cc(C(F)(F)F)nn2C)c1=O	ZINC000853267100	671224650	/nfs/dbraw/zinc/22/46/50/671224650.db2.gz	ZDZPEGBFDOFGSU-UHFFFAOYSA-N	-1	0	318.284	0.870	20	30		DCEDRM
Cn1ncc(C2CCC2)c1C=NNc1nc2[nH][nH]cc-2c(=O)n1	ZINC000853305249	671225890	/nfs/dbraw/zinc/22/58/90/671225890.db2.gz	UGNONOWUYGHGMJ-UHFFFAOYSA-N	-1	0	312.337	0.879	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)COCC(F)F	ZINC000860684627	671230040	/nfs/dbraw/zinc/23/00/40/671230040.db2.gz	XPHNCYNKLIRNNK-UHFFFAOYSA-N	-1	0	322.264	0.784	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824058105	671417895	/nfs/dbraw/zinc/41/78/95/671417895.db2.gz	WELDGXKZTIPCEF-SMDDNHRTSA-N	-1	0	307.354	0.229	20	30		DCEDRM
CC[C@@H]1CCCCN1C(=O)Cn1cnc(C#N)c1-c1nn[nH]n1	ZINC000825195754	671452666	/nfs/dbraw/zinc/45/26/66/671452666.db2.gz	YPWKFXZGKHAHBJ-SNVBAGLBSA-N	-1	0	314.353	0.726	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000825967351	671475951	/nfs/dbraw/zinc/47/59/51/671475951.db2.gz	UDYQMXUGZNGANZ-VXNVDRBHSA-N	-1	0	307.331	0.827	20	30		DCEDRM
C=CCNC(=O)CNC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1	ZINC000833376815	671747422	/nfs/dbraw/zinc/74/74/22/671747422.db2.gz	RDUUXERNSLILRS-UHFFFAOYSA-N	-1	0	320.345	0.799	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)CCC#N)N1CCc2ccccc2C1	ZINC000835410835	671795642	/nfs/dbraw/zinc/79/56/42/671795642.db2.gz	KBUTWWYENCSWKY-GFCCVEGCSA-N	-1	0	321.402	0.793	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCN1c1ncccn1)C(=O)[O-]	ZINC000836751083	671831057	/nfs/dbraw/zinc/83/10/57/671831057.db2.gz	OIDLIPQNCPIHSE-NWDGAFQWSA-N	-1	0	320.349	0.217	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C2(C(F)F)CC2)c1	ZINC000842807262	672039398	/nfs/dbraw/zinc/03/93/98/672039398.db2.gz	UPKZKZRDQDDTDZ-UHFFFAOYSA-N	-1	0	301.274	0.803	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)CCOC(C)(C)C)nn1	ZINC000842812628	672039946	/nfs/dbraw/zinc/03/99/46/672039946.db2.gz	CZCFAKAMZKPAHQ-UHFFFAOYSA-N	-1	0	316.383	0.339	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1F	ZINC000842874711	672044227	/nfs/dbraw/zinc/04/42/27/672044227.db2.gz	GKORVESAHUXFGZ-VIFPVBQESA-N	-1	0	317.313	0.949	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)c2cnc3n2CCC3)CC1	ZINC000844815211	672204676	/nfs/dbraw/zinc/20/46/76/672204676.db2.gz	FPYJDWHCHCZABC-UHFFFAOYSA-N	-1	0	323.374	0.318	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844815341	672204680	/nfs/dbraw/zinc/20/46/80/672204680.db2.gz	LSONAPVXCXQXLC-LLVKDONJSA-N	-1	0	313.379	0.265	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)Cc1cn2c(n1)CCCC2	ZINC000845503763	672253840	/nfs/dbraw/zinc/25/38/40/672253840.db2.gz	YGCHKPDUFVKBSA-UHFFFAOYSA-N	-1	0	324.406	0.758	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cccc2c1OCCCO2	ZINC000845561902	672262240	/nfs/dbraw/zinc/26/22/40/672262240.db2.gz	YVGADYCIIMVZJH-UHFFFAOYSA-N	-1	0	310.331	0.821	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc2c1CN(C)C2=O	ZINC000846146373	672297534	/nfs/dbraw/zinc/29/75/34/672297534.db2.gz	IDZICSKEUFKRHM-UHFFFAOYSA-N	-1	0	303.318	0.835	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(CC(=O)NC)cc1	ZINC000846153450	672297752	/nfs/dbraw/zinc/29/77/52/672297752.db2.gz	YWGFKVHYXKVQLJ-SNVBAGLBSA-N	-1	0	305.334	0.536	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1	ZINC000846154237	672297759	/nfs/dbraw/zinc/29/77/59/672297759.db2.gz	MAKNIJZMYBJNCW-VIFPVBQESA-N	-1	0	318.333	0.991	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(N2CCNC2=O)c1	ZINC000846152195	672297965	/nfs/dbraw/zinc/29/79/65/672297965.db2.gz	QCPRNYCQOVJKNW-JTQLQIEISA-N	-1	0	318.333	0.777	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1	ZINC000846490144	672317641	/nfs/dbraw/zinc/31/76/41/672317641.db2.gz	FZARVIOIXGHZHO-UHFFFAOYSA-N	-1	0	305.309	0.913	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CCSC)NS(=O)(=O)CC	ZINC000846546487	672326932	/nfs/dbraw/zinc/32/69/32/672326932.db2.gz	VXRLQLYEPXVNKB-NXEZZACHSA-N	-1	0	310.441	0.670	20	30		DCEDRM
CC[C@@H](C(=O)[O-])N(C)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000846715025	672340091	/nfs/dbraw/zinc/34/00/91/672340091.db2.gz	LIFPYXBEXLGIEX-LZTQFINJSA-N	-1	0	309.322	0.225	20	30		DCEDRM
Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cn1	ZINC000771079607	685337050	/nfs/dbraw/zinc/33/70/50/685337050.db2.gz	UVVVSTKRUBOGBR-ONEGZZNKSA-N	-1	0	308.363	0.573	20	30		DCEDRM
N#Cc1ccc(OC[C@H](O)CN2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000833071263	685359825	/nfs/dbraw/zinc/35/98/25/685359825.db2.gz	HOGLVQRMMYENLD-HIFRSBDPSA-N	-1	0	320.345	0.473	20	30		DCEDRM
CCOC(=O)c1csc(C(C#N)=C([O-])c2cnnn2C)n1	ZINC001649152171	1158821432	/nfs/dbraw/zinc/82/14/32/1158821432.db2.gz	RBCUTGWWZLYEDB-ZETCQYMHSA-N	-1	0	305.319	0.938	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC001072949187	694687724	/nfs/dbraw/zinc/68/77/24/694687724.db2.gz	BKPSBZAXGNPQCQ-VIFPVBQESA-N	-1	0	319.365	0.694	20	30		DCEDRM
C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001077066778	695135308	/nfs/dbraw/zinc/13/53/08/695135308.db2.gz	XPCAMPYVZHQCBU-GXSJLCMTSA-N	-1	0	324.381	0.639	20	30		DCEDRM
C=CCC1(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CCOCC1	ZINC001626046674	1158619496	/nfs/dbraw/zinc/61/94/96/1158619496.db2.gz	JSZYXTIZXKDGAU-UHFFFAOYSA-N	-1	0	321.381	0.383	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)C1CCOCC1)OCC	ZINC001320205832	1159159269	/nfs/dbraw/zinc/15/92/69/1159159269.db2.gz	GTISGMOZKLWCKG-GFCCVEGCSA-N	-1	0	305.396	0.983	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC2(C3CC3)CC2)c(=O)[n-]c1=O	ZINC001446537740	1159461597	/nfs/dbraw/zinc/46/15/97/1159461597.db2.gz	OUABYQCNQIJUCZ-UHFFFAOYSA-N	-1	0	302.334	0.517	20	30		DCEDRM
C#CCOc1ccc(CNC(=O)CSc2n[nH]c(=O)[n-]2)cc1	ZINC001569241555	1160992064	/nfs/dbraw/zinc/99/20/64/1160992064.db2.gz	VFVIHYNABYQGMM-UHFFFAOYSA-N	-1	0	318.358	0.931	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001569905275	1161309504	/nfs/dbraw/zinc/30/95/04/1161309504.db2.gz	AKBSXBNRYFJGSR-QWHCGFSZSA-N	-1	0	317.393	0.735	20	30		DCEDRM
CC#CCCCC(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])C[C@H]1C	ZINC001573384131	1163419703	/nfs/dbraw/zinc/41/97/03/1163419703.db2.gz	DDHIZRMLECDJOB-OLZOCXBDSA-N	-1	0	323.393	0.943	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001573379854	1163419962	/nfs/dbraw/zinc/41/99/62/1163419962.db2.gz	ZHZAFYYVKGEPQM-AXFHLTTASA-N	-1	0	320.349	0.104	20	30		DCEDRM
CCn1cc(C#N)c(NC(=O)c2nnn(C)c2C)c1C(=O)[O-]	ZINC001573844663	1163565314	/nfs/dbraw/zinc/56/53/14/1163565314.db2.gz	KSEAHFPYTUCNBS-UHFFFAOYSA-N	-1	0	302.294	0.767	20	30		DCEDRM
COCCn1cc(C#N)c(NC(=O)[C@H]2CCC(=O)O2)c1C(=O)[O-]	ZINC001573985623	1163617494	/nfs/dbraw/zinc/61/74/94/1163617494.db2.gz	NRCKOYHGSXRILM-SECBINFHSA-N	-1	0	321.289	0.348	20	30		DCEDRM
COc1cc(C(=O)NCc2nc(C(=O)[O-])n[nH]2)ccc1C#N	ZINC001574012246	1163624362	/nfs/dbraw/zinc/62/43/62/1163624362.db2.gz	HBYVYKZVIWUCSL-UHFFFAOYSA-N	-1	0	301.262	0.313	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)cs1	ZINC001574240795	1163672056	/nfs/dbraw/zinc/67/20/56/1163672056.db2.gz	AOIKARVNNHIHIP-RYUDHWBXSA-N	-1	0	317.326	0.931	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)s1	ZINC001574245271	1163672299	/nfs/dbraw/zinc/67/22/99/1163672299.db2.gz	JQJLDNAENIVBRS-RYUDHWBXSA-N	-1	0	317.326	0.931	20	30		DCEDRM
N#Cc1ccc(CC(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])cn1	ZINC001574245133	1163672682	/nfs/dbraw/zinc/67/26/82/1163672682.db2.gz	GVHAJHGXIOVAQB-QWHCGFSZSA-N	-1	0	303.318	0.634	20	30		DCEDRM
N#Cc1ccsc1C(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccncc1	ZINC001574248100	1163673041	/nfs/dbraw/zinc/67/30/41/1163673041.db2.gz	CJIKWGHJJZQLCM-GHMZBOCLSA-N	-1	0	317.326	0.931	20	30		DCEDRM
CC#CCN(Cc1cn[nH]n1)S(=O)(=O)c1cc([O-])cc(F)c1	ZINC001575117852	1163904723	/nfs/dbraw/zinc/90/47/23/1163904723.db2.gz	FWSCKKVJFVDOFO-UHFFFAOYSA-N	-1	0	324.337	0.864	20	30		DCEDRM
CC[C@H](C)C[C@H](CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001576642849	1164421546	/nfs/dbraw/zinc/42/15/46/1164421546.db2.gz	ZTGAIKQLUYXHRG-DTWKUNHWSA-N	-1	0	302.342	0.737	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC[C@@H]1c1cn[nH]n1	ZINC001577256056	1164652158	/nfs/dbraw/zinc/65/21/58/1164652158.db2.gz	DUAQHFYQNUPKLV-LLVKDONJSA-N	-1	0	314.305	0.299	20	30		DCEDRM
N#Cc1nc(NC(=O)C=C[C@H]2CCCO2)[n-]c1-c1nn[nH]n1	ZINC001581860130	1165892622	/nfs/dbraw/zinc/89/26/22/1165892622.db2.gz	LNNYGUDCOCFVKC-KGGZQZJCSA-N	-1	0	300.282	0.135	20	30		DCEDRM
N#Cc1ccc(C(=O)Cn2ccc(-c3nnn[n-]3)cc2=O)cc1	ZINC001581870755	1165896372	/nfs/dbraw/zinc/89/63/72/1165896372.db2.gz	QPPRXKGRRASCML-UHFFFAOYSA-N	-1	0	306.285	0.783	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCC[C@H]3OCC[C@H]32)nc1-c1nnn[n-]1	ZINC001581883379	1165900728	/nfs/dbraw/zinc/90/07/28/1165900728.db2.gz	XXRGBAWEQIHLDP-IQJOONFLSA-N	-1	0	312.337	0.898	20	30		DCEDRM
N#Cc1ncc(N2CCOc3ccccc3C2)nc1-c1nnn[n-]1	ZINC001581883291	1165902374	/nfs/dbraw/zinc/90/23/74/1165902374.db2.gz	VAVQIYKDHCLKRK-UHFFFAOYSA-N	-1	0	320.316	0.927	20	30		DCEDRM
CCN(CC#N)C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001583183516	1166221174	/nfs/dbraw/zinc/22/11/74/1166221174.db2.gz	RTCWSQTVLUEZCC-UHFFFAOYSA-N	-1	0	300.322	0.558	20	30		DCEDRM
CN(CC#N)C(=O)c1cnc(I)c([O-])c1	ZINC001583981910	1166298462	/nfs/dbraw/zinc/29/84/62/1166298462.db2.gz	WPBCVSBQIUNBHQ-UHFFFAOYSA-N	-1	0	317.086	0.987	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(NC(=O)C#CC3CC3)CC2)c1[O-]	ZINC001584926721	1166386216	/nfs/dbraw/zinc/38/62/16/1166386216.db2.gz	FRUSRQAURDBOHM-UHFFFAOYSA-N	-1	0	302.334	0.216	20	30		DCEDRM
COc1ccccc1OC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001587488737	1166507217	/nfs/dbraw/zinc/50/72/17/1166507217.db2.gz	NUAGRXBIOSEGNF-UHFFFAOYSA-N	-1	0	301.258	0.435	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C)C(=O)[O-]	ZINC001588414283	1166552133	/nfs/dbraw/zinc/55/21/33/1166552133.db2.gz	KJSBOKWTPUIANF-GXSJLCMTSA-N	-1	0	315.329	0.670	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCc1ccc2c(c1)OCO2	ZINC001588419762	1166554472	/nfs/dbraw/zinc/55/44/72/1166554472.db2.gz	DEKUJHMVRDHKTD-UHFFFAOYSA-N	-1	0	304.302	0.051	20	30		DCEDRM
C=CC[C@H](NC(=O)COc1ccc(-c2nn[nH]n2)cc1)C(=O)[O-]	ZINC001588549518	1166562349	/nfs/dbraw/zinc/56/23/49/1166562349.db2.gz	QJOCKWVBGHVDBH-NSHDSACASA-N	-1	0	317.305	0.391	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588965784	1166623428	/nfs/dbraw/zinc/62/34/28/1166623428.db2.gz	LDRSHCULEYRSCR-PELKAZGASA-N	-1	0	303.330	0.074	20	30		DCEDRM
CC(C)n1ccnc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001589783401	1166686443	/nfs/dbraw/zinc/68/64/43/1166686443.db2.gz	OCDCRBCFKYDTDI-UHFFFAOYSA-N	-1	0	312.297	0.491	20	30		DCEDRM
C[C@]1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCCOC1	ZINC001590070679	1166762816	/nfs/dbraw/zinc/76/28/16/1166762816.db2.gz	IFEPFGIKSCWZSA-LBPRGKRZSA-N	-1	0	302.298	0.217	20	30		DCEDRM
CC[C@H]1CO[C@@H](C)CN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590522776	1166933635	/nfs/dbraw/zinc/93/36/35/1166933635.db2.gz	HGCNMHZSUJJIHT-IUCAKERBSA-N	-1	0	300.326	0.532	20	30		DCEDRM
CCCCCCNC(=O)Cn1c(C)nc(-c2nnn[n-]2)c1C#N	ZINC001590595139	1166946331	/nfs/dbraw/zinc/94/63/31/1166946331.db2.gz	UNZKLBPMVJTIDL-UHFFFAOYSA-N	-1	0	316.369	0.940	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2cccc(-c3nn[nH]n3)c2)c1=O	ZINC001590950049	1167056751	/nfs/dbraw/zinc/05/67/51/1167056751.db2.gz	ZFLFDMGEAMKLNB-UHFFFAOYSA-N	-1	0	323.316	0.130	20	30		DCEDRM
COc1cccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC001591638543	1167342001	/nfs/dbraw/zinc/34/20/01/1167342001.db2.gz	VDKDCPCFZAFSRR-UHFFFAOYSA-N	-1	0	310.277	0.722	20	30		DCEDRM
Cc1cc(C)n(N=C[C@@H]2CCCOC2)c(=O)c1-c1nnn[n-]1	ZINC001591955956	1167425353	/nfs/dbraw/zinc/42/53/53/1167425353.db2.gz	PEBAOHRZNSYFJM-NSHDSACASA-N	-1	0	302.338	0.906	20	30		DCEDRM
Cc1ccc(Cn2c(N)nc(C#N)c2C#N)cc1-c1nn[nH]n1	ZINC001592171803	1167467993	/nfs/dbraw/zinc/46/79/93/1167467993.db2.gz	PEUQDTHTGAACMS-UHFFFAOYSA-N	-1	0	305.305	0.745	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1nccn1C(F)F	ZINC001592336340	1167493437	/nfs/dbraw/zinc/49/34/37/1167493437.db2.gz	YFWZEOMRMCHPMW-UHFFFAOYSA-N	-1	0	305.252	0.883	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1ncc(Cl)n1C	ZINC001592336115	1167493632	/nfs/dbraw/zinc/49/36/32/1167493632.db2.gz	REDYTKVKKQSPKD-UHFFFAOYSA-N	-1	0	303.717	0.679	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cnn(C(F)F)c2)[n-]c1-c1nn[nH]n1	ZINC001592681845	1167600399	/nfs/dbraw/zinc/60/03/99/1167600399.db2.gz	LCFGEDVERAPXMD-UHFFFAOYSA-N	-1	0	320.223	0.305	20	30		DCEDRM
N#Cc1cc(Cn2cc3c(c(-c4nnn[n-]4)c2=O)CCC3)ccn1	ZINC001592688150	1167601486	/nfs/dbraw/zinc/60/14/86/1167601486.db2.gz	CUZMWPMNSTYGBG-UHFFFAOYSA-N	-1	0	319.328	0.832	20	30		DCEDRM
N#Cc1ccc(OCCn2cc(-c3nnn[n-]3)ccc2=O)cc1	ZINC001592695981	1167602492	/nfs/dbraw/zinc/60/24/92/1167602492.db2.gz	WLVSQROBQIRJQY-UHFFFAOYSA-N	-1	0	308.301	0.979	20	30		DCEDRM
Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1	ZINC001600076018	1168112440	/nfs/dbraw/zinc/11/24/40/1168112440.db2.gz	XEEOJNMLOZVOPN-QSFUFRPTSA-N	-1	0	315.333	0.437	20	30		DCEDRM
Cc1cc(N(C)CCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c(C#N)cn1	ZINC001600235666	1168142736	/nfs/dbraw/zinc/14/27/36/1168142736.db2.gz	IZBWBPJBWDDYOM-OLZOCXBDSA-N	-1	0	316.361	0.925	20	30		DCEDRM
Cc1nn(CC2CC2)c(C)c1CC(=O)N(CC#N)CC(=O)[O-]	ZINC001600783751	1168295503	/nfs/dbraw/zinc/29/55/03/1168295503.db2.gz	YJJYWYBCSSNDIH-UHFFFAOYSA-N	-1	0	304.350	0.889	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)n1	ZINC001600927511	1168510468	/nfs/dbraw/zinc/51/04/68/1168510468.db2.gz	OUGLEEQIMFBIBU-SCZZXKLOSA-N	-1	0	307.310	0.151	20	30		DCEDRM
N#CCCCS(=O)(=O)NCCc1ncc(C(=O)[O-])s1	ZINC001601067543	1168580639	/nfs/dbraw/zinc/58/06/39/1168580639.db2.gz	XDSIPGYINWEHDX-UHFFFAOYSA-N	-1	0	303.365	0.607	20	30		DCEDRM
N#CC1(CNC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CCC1	ZINC001601056095	1168578447	/nfs/dbraw/zinc/57/84/47/1168578447.db2.gz	BGIUMQWHCJRPAO-CQSZACIVSA-N	-1	0	306.322	0.695	20	30		DCEDRM
N#C[C@H]1CN(C(=O)Nc2cncc(C(=O)[O-])c2)CCN1C1CC1	ZINC001601061269	1168579324	/nfs/dbraw/zinc/57/93/24/1168579324.db2.gz	WBXPMPKBMKASOR-ZDUSSCGKSA-N	-1	0	315.333	0.984	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)NC(=O)CO2	ZINC001601069570	1168580663	/nfs/dbraw/zinc/58/06/63/1168580663.db2.gz	NJLDQOBKTZVAGP-DUXPYHPUSA-N	-1	0	315.285	0.467	20	30		DCEDRM
N#CCCn1ccc(NC(=O)NC[C@]2(C(=O)[O-])CCOC2)n1	ZINC001601069218	1168580751	/nfs/dbraw/zinc/58/07/51/1168580751.db2.gz	ASBPBYGZXOAJPU-CYBMUJFWSA-N	-1	0	307.310	0.410	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)C[C@H]1Oc2ccccc2NC1=O	ZINC001601070915	1168581157	/nfs/dbraw/zinc/58/11/57/1168581157.db2.gz	LQHHIRNCKLMGLP-GFCCVEGCSA-N	-1	0	317.301	0.603	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ncc(C(N)=O)cc1Cl	ZINC001601072665	1168581605	/nfs/dbraw/zinc/58/16/05/1168581605.db2.gz	ZKLAAPJAOJVMRK-UHFFFAOYSA-N	-1	0	310.697	0.274	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001601078505	1168582806	/nfs/dbraw/zinc/58/28/06/1168582806.db2.gz	NRFBIRSKLIDTQJ-CQSZACIVSA-N	-1	0	312.329	0.830	20	30		DCEDRM
N#CCc1ccccc1CC(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001601077902	1168582854	/nfs/dbraw/zinc/58/28/54/1168582854.db2.gz	DZQKZVYGWFHZMK-UHFFFAOYSA-N	-1	0	317.345	0.392	20	30		DCEDRM
N#Cc1c(CON=C(N)CN2CCOCC2)cccc1C(=O)[O-]	ZINC001601080281	1168582885	/nfs/dbraw/zinc/58/28/85/1168582885.db2.gz	HCUMDJUMOFMDGL-UHFFFAOYSA-N	-1	0	318.333	0.587	20	30		DCEDRM
N#Cc1c2c(cn(CN3CC[C@](F)(C(=O)[O-])C3)c1=O)CCC2	ZINC001601084065	1168583467	/nfs/dbraw/zinc/58/34/67/1168583467.db2.gz	GGXKSEPIIBAEED-OAHLLOKOSA-N	-1	0	305.309	0.665	20	30		DCEDRM
N#Cc1cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cs1	ZINC001601087103	1168583572	/nfs/dbraw/zinc/58/35/72/1168583572.db2.gz	FHXBCCXGTOBYDB-UHFFFAOYSA-N	-1	0	306.303	0.695	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])ccc1F	ZINC001601086255	1168583668	/nfs/dbraw/zinc/58/36/68/1168583668.db2.gz	GEMVKROXORLUTA-LBPRGKRZSA-N	-1	0	302.265	0.846	20	30		DCEDRM
N#Cc1cc(=O)n(CC(=O)Nc2ccsc2C(=O)[O-])cn1	ZINC001601084903	1168583691	/nfs/dbraw/zinc/58/36/91/1168583691.db2.gz	HWKJXPFUNWNLSC-UHFFFAOYSA-N	-1	0	304.287	0.513	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)[nH]1	ZINC001601092620	1168584026	/nfs/dbraw/zinc/58/40/26/1168584026.db2.gz	OWTPYSSTPRAWOH-VIFPVBQESA-N	-1	0	300.278	0.263	20	30		DCEDRM
N#Cc1ccc(C(=O)OCC(=O)NC2(C(=O)[O-])CCCCC2)[nH]1	ZINC001601094474	1168584097	/nfs/dbraw/zinc/58/40/97/1168584097.db2.gz	LVKUPLIUKBWOJH-UHFFFAOYSA-N	-1	0	319.317	0.947	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001601091127	1168584284	/nfs/dbraw/zinc/58/42/84/1168584284.db2.gz	OIISLOWRVREQMW-IINYFYTJSA-N	-1	0	318.289	0.789	20	30		DCEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H](CF)C(=O)[O-])c1	ZINC001601103588	1168585682	/nfs/dbraw/zinc/58/56/82/1168585682.db2.gz	IZXOZNCUWKWKCI-MRVPVSSYSA-N	-1	0	306.702	0.913	20	30		DCEDRM
N#Cc1ccc(C2(C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)CC2)cc1	ZINC001601099879	1168584711	/nfs/dbraw/zinc/58/47/11/1168584711.db2.gz	WICGKONPYWLCGU-TZMCWYRMSA-N	-1	0	314.341	0.884	20	30		DCEDRM
N#Cc1ccc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)o1	ZINC001601099832	1168584942	/nfs/dbraw/zinc/58/49/42/1168584942.db2.gz	DIPCSPFKUYKJOT-HNNXBMFYSA-N	-1	0	305.334	0.513	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])ccn2)nc1	ZINC001601101480	1168585174	/nfs/dbraw/zinc/58/51/74/1168585174.db2.gz	BBUMFLOIVHKYCH-UHFFFAOYSA-N	-1	0	318.314	0.525	20	30		DCEDRM
N#Cc1ccc(N2C[C@H](C(=O)NC3(C(=O)[O-])CC3)CC2=O)cc1	ZINC001601105703	1168585298	/nfs/dbraw/zinc/58/52/98/1168585298.db2.gz	DYMOPSYTPHRXRB-LLVKDONJSA-N	-1	0	313.313	0.645	20	30		DCEDRM
N#Cc1cccc(NC(=O)CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1	ZINC001601120891	1168587507	/nfs/dbraw/zinc/58/75/07/1168587507.db2.gz	RCAUUVIARXCMHI-TZMCWYRMSA-N	-1	0	303.318	0.407	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)[C@@H]2CCS(=O)(=O)C2)C(=O)[O-])c1	ZINC001601118710	1168587726	/nfs/dbraw/zinc/58/77/26/1168587726.db2.gz	NYEBNKKJEZYXAT-NEPJUHHUSA-N	-1	0	323.326	0.662	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CN2CCOC[C@H]2CC(=O)[O-])c1	ZINC001601122784	1168588762	/nfs/dbraw/zinc/58/87/62/1168588762.db2.gz	RFBAUGBMMJQGOU-CQSZACIVSA-N	-1	0	317.345	0.350	20	30		DCEDRM
N#Cc1ccccc1/C=C/C(=O)N[C@@H](Cn1cncn1)C(=O)[O-]	ZINC001601126304	1168590245	/nfs/dbraw/zinc/59/02/45/1168590245.db2.gz	SYMREOHDXHRJPX-GFUIURDCSA-N	-1	0	311.301	0.433	20	30		DCEDRM
N#Cc1ccnc(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)c1	ZINC001601127511	1168590260	/nfs/dbraw/zinc/59/02/60/1168590260.db2.gz	PWVHANKRXLJOGG-LBPRGKRZSA-N	-1	0	317.301	0.576	20	30		DCEDRM
N#Cc1cnnc(N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)c1	ZINC001601130137	1168591404	/nfs/dbraw/zinc/59/14/04/1168591404.db2.gz	ARRUPUCBDOLUFF-HNNXBMFYSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1cnc(NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)c(F)c1	ZINC001601129955	1168591634	/nfs/dbraw/zinc/59/16/34/1168591634.db2.gz	BPRRAWYDTABAAK-UWVGGRQHSA-N	-1	0	318.308	0.874	20	30		DCEDRM
N#Cc1cnc(NC[C@@H](O)CC(=O)[O-])c(Br)c1	ZINC001601131057	1168591733	/nfs/dbraw/zinc/59/17/33/1168591733.db2.gz	YWBVMYUSJXCWTM-ZETCQYMHSA-N	-1	0	300.112	0.963	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1N	ZINC001601131509	1168592001	/nfs/dbraw/zinc/59/20/01/1168592001.db2.gz	CSSGYLKBKNTEQL-UWVGGRQHSA-N	-1	0	306.322	0.771	20	30		DCEDRM
N#Cc1cnccc1NC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001601131950	1168593175	/nfs/dbraw/zinc/59/31/75/1168593175.db2.gz	YOEIHSONHYVART-STQMWFEESA-N	-1	0	314.345	0.499	20	30		DCEDRM
N#Cc1cncn(CC(=O)Nc2ccsc2C(=O)[O-])c1=O	ZINC001601131896	1168593317	/nfs/dbraw/zinc/59/33/17/1168593317.db2.gz	WFUSOYJRMHZLPC-UHFFFAOYSA-N	-1	0	304.287	0.513	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)NC[C@@]1(C(=O)[O-])CCOC1	ZINC001601135833	1168594670	/nfs/dbraw/zinc/59/46/70/1168594670.db2.gz	QJIMQCMIFDNWEF-NSHDSACASA-N	-1	0	316.360	0.389	20	30		DCEDRM
O=C([O-])c1cnc(NC/C=C/CNC(=O)C#CC2CC2)nc1	ZINC001601223162	1168666347	/nfs/dbraw/zinc/66/63/47/1168666347.db2.gz	DBHSTKWERKVUMY-OWOJBTEDSA-N	-1	0	300.318	0.673	20	30		DCEDRM
O=C([O-])c1nccc(NC2CC(CNC(=O)C#CC3CC3)C2)n1	ZINC001601223743	1168666833	/nfs/dbraw/zinc/66/68/33/1168666833.db2.gz	KUGVSJJALYOVEG-UHFFFAOYSA-N	-1	0	314.345	0.317	20	30		DCEDRM
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001601279412	1168688452	/nfs/dbraw/zinc/68/84/52/1168688452.db2.gz	OIPGLYBPVKXVCI-LYORMUPZSA-N	-1	0	321.333	0.272	20	30		DCEDRM
O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(CC#Cc2ccccc2)C1	ZINC001601784978	1168895769	/nfs/dbraw/zinc/89/57/69/1168895769.db2.gz	WQEKWZPKJUNCOQ-CVEARBPZSA-N	-1	0	312.369	0.807	20	30		DCEDRM
O=C([O-])c1cnn(CC(=O)N2CCC3(CC2)CC(=O)C=CO3)c1	ZINC001602630973	1169135373	/nfs/dbraw/zinc/13/53/73/1169135373.db2.gz	FZMHQTWRMZMYLX-UHFFFAOYSA-N	-1	0	319.317	0.446	20	30		DCEDRM
C#C[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)n1)C1CCOCC1	ZINC001602672815	1169155475	/nfs/dbraw/zinc/15/54/75/1169155475.db2.gz	IHAJUEOBLOMBDB-JTQLQIEISA-N	-1	0	306.322	0.668	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)[C@H]1CCCO1	ZINC001602679594	1169156784	/nfs/dbraw/zinc/15/67/84/1169156784.db2.gz	YZZFPICELIPWFE-DTWKUNHWSA-N	-1	0	315.372	0.905	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C1	ZINC001602679120	1169156915	/nfs/dbraw/zinc/15/69/15/1169156915.db2.gz	ULFLHMINLYJYRB-UHFFFAOYSA-N	-1	0	304.277	0.815	20	30		DCEDRM
C#CCC(C)(C)COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001602696886	1169162312	/nfs/dbraw/zinc/16/23/12/1169162312.db2.gz	OWAKIYIQYLHZIW-SECBINFHSA-N	-1	0	303.326	0.612	20	30		DCEDRM
C#CC[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(=O)[O-]	ZINC001602693311	1169162344	/nfs/dbraw/zinc/16/23/44/1169162344.db2.gz	PEFXPKQWEZNWQE-JTQLQIEISA-N	-1	0	302.246	0.677	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001602699341	1169164280	/nfs/dbraw/zinc/16/42/80/1169164280.db2.gz	BOHACDJMTIKTCT-NSHDSACASA-N	-1	0	315.329	0.980	20	30		DCEDRM
C#CCCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1OC	ZINC001602711399	1169166575	/nfs/dbraw/zinc/16/65/75/1169166575.db2.gz	SJRPLYQVZZWSMX-UHFFFAOYSA-N	-1	0	321.362	0.567	20	30		DCEDRM
C#CCN(C1CSC1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001602715432	1169167798	/nfs/dbraw/zinc/16/77/98/1169167798.db2.gz	HIKIUUFAORWXIM-KOLCDFICSA-N	-1	0	303.405	0.620	20	30		DCEDRM
C#CCN1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)C1	ZINC001602720045	1169169855	/nfs/dbraw/zinc/16/98/55/1169169855.db2.gz	JGEDBHKWOQXLBO-OLZOCXBDSA-N	-1	0	306.362	0.034	20	30		DCEDRM
C#CCN1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)C1	ZINC001602720046	1169170219	/nfs/dbraw/zinc/17/02/19/1169170219.db2.gz	JGEDBHKWOQXLBO-QWHCGFSZSA-N	-1	0	306.362	0.034	20	30		DCEDRM
C#CCN1CCC(C(=O)O[C@@H](C)C(=O)C(C)(C)C(=O)[O-])CC1	ZINC001602720769	1169170477	/nfs/dbraw/zinc/17/04/77/1169170477.db2.gz	GRVLYBCZAQNQLR-NSHDSACASA-N	-1	0	309.362	0.943	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1)C(=O)OCC	ZINC001602749085	1169177290	/nfs/dbraw/zinc/17/72/90/1169177290.db2.gz	NZZYHOFGRCQCHJ-BJDJZHNGSA-N	-1	0	313.350	0.879	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1c(C)oc2ncn(C)c(=O)c21)C(=O)[O-]	ZINC001602749037	1169177334	/nfs/dbraw/zinc/17/73/34/1169177334.db2.gz	NJRWKHGWPYQWGP-VIFPVBQESA-N	-1	0	319.317	0.984	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)C(=O)OC	ZINC001602748742	1169177573	/nfs/dbraw/zinc/17/75/73/1169177573.db2.gz	JHCPLXQGPLJQOG-LBPRGKRZSA-N	-1	0	306.318	0.946	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1	ZINC001602744513	1169177824	/nfs/dbraw/zinc/17/78/24/1169177824.db2.gz	CCLYVEKHPBFFJN-LLVKDONJSA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=C(C)CCn1c(=O)c(-c2nnn[n-]2)c(C)n(C2CC2)c1=O	ZINC001602758734	1169178814	/nfs/dbraw/zinc/17/88/14/1169178814.db2.gz	QDHITCKJHPQWPC-UHFFFAOYSA-N	-1	0	302.338	0.800	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC2(CC(C(=O)OC)=NO2)CC1	ZINC001602775700	1169182896	/nfs/dbraw/zinc/18/28/96/1169182896.db2.gz	HWFLXWDHUDHSRA-UHFFFAOYSA-N	-1	0	324.333	0.718	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001602812815	1169185713	/nfs/dbraw/zinc/18/57/13/1169185713.db2.gz	NFLCUTHJEZRABZ-UEKVPHQBSA-N	-1	0	320.349	0.561	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001602812934	1169186043	/nfs/dbraw/zinc/18/60/43/1169186043.db2.gz	PIRXMBRZNZNZGI-MRXNPFEDSA-N	-1	0	320.345	0.696	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC001602816836	1169188783	/nfs/dbraw/zinc/18/87/83/1169188783.db2.gz	RFFHSBUCRKOKFC-CYBMUJFWSA-N	-1	0	320.345	0.660	20	30		DCEDRM
C=CCNC(=O)CNc1nc2ncccc2cc1-c1nn[nH]n1	ZINC001602862352	1169194154	/nfs/dbraw/zinc/19/41/54/1169194154.db2.gz	BVNNDUSPELEWTD-UHFFFAOYSA-N	-1	0	310.321	0.524	20	30		DCEDRM
C=CCNC(=O)COC(=O)c1c(C)cc(-c2nn[nH]n2)cc1C	ZINC001602862758	1169194282	/nfs/dbraw/zinc/19/42/82/1169194282.db2.gz	IADNDWZXYVFKKH-UHFFFAOYSA-N	-1	0	315.333	0.943	20	30		DCEDRM
C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])CCO2	ZINC001602856087	1169194939	/nfs/dbraw/zinc/19/49/39/1169194939.db2.gz	SXWAVGVKSKGIAV-NEPJUHHUSA-N	-1	0	322.361	0.113	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC001602880328	1169197986	/nfs/dbraw/zinc/19/79/86/1169197986.db2.gz	KGBNNHMUCKOWHG-MNOVXSKESA-N	-1	0	319.379	0.621	20	30		DCEDRM
C=CCN1CC[C@H]([N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)C1=O	ZINC001602898769	1169200854	/nfs/dbraw/zinc/20/08/54/1169200854.db2.gz	XUVQHBPSFOWKHR-SLMGRZLQSA-N	-1	0	322.361	0.271	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)[O-])cn1	ZINC001602902201	1169202019	/nfs/dbraw/zinc/20/20/19/1169202019.db2.gz	SYCFRDUAAKHMMK-MRVPVSSYSA-N	-1	0	321.289	0.337	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnc(SC)[nH]c1=O)C(=O)[O-]	ZINC001602912770	1169203291	/nfs/dbraw/zinc/20/32/91/1169203291.db2.gz	CRXSIMUYMZOPJN-QMMMGPOBSA-N	-1	0	313.335	0.290	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1c(C)cccc1C#N)C(=O)[O-]	ZINC001602914780	1169204074	/nfs/dbraw/zinc/20/40/74/1169204074.db2.gz	CPWZPHYJKPXYRR-LBPRGKRZSA-N	-1	0	324.358	0.801	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)CCc1ocnc1C(=O)[O-]	ZINC001602924858	1169209472	/nfs/dbraw/zinc/20/94/72/1169209472.db2.gz	ISHGLKHVPCPTFJ-UHFFFAOYSA-N	-1	0	316.335	0.022	20	30		DCEDRM
C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001602932093	1169210505	/nfs/dbraw/zinc/21/05/05/1169210505.db2.gz	JNCCDRLVQPVEDD-UTUOFQBUSA-N	-1	0	322.365	0.709	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001602947023	1169218369	/nfs/dbraw/zinc/21/83/69/1169218369.db2.gz	JKJBWYNXKXBPPQ-HAQNSBGRSA-N	-1	0	316.361	0.849	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCC1(Nc2ncccc2-c2nn[nH]n2)CC1	ZINC001602983191	1169223420	/nfs/dbraw/zinc/22/34/20/1169223420.db2.gz	GAXLZMLINQIHJR-VIFPVBQESA-N	-1	0	312.337	0.482	20	30		DCEDRM
C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[nH]n2)nc1	ZINC001602982245	1169224767	/nfs/dbraw/zinc/22/47/67/1169224767.db2.gz	SOWJSGZKJVVFNT-UWVGGRQHSA-N	-1	0	314.353	0.680	20	30		DCEDRM
CC(=O)N[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1CCCC1	ZINC001603034928	1169236311	/nfs/dbraw/zinc/23/63/11/1169236311.db2.gz	DZSBEOMEMRQQOM-ZDUSSCGKSA-N	-1	0	321.377	0.898	20	30		DCEDRM
C[C@H](C#N)OCCn1cc(CN2CCCC[C@@H]2C(=O)[O-])nn1	ZINC001603131874	1169251018	/nfs/dbraw/zinc/25/10/18/1169251018.db2.gz	NMHJMYJQFZETCS-DGCLKSJQSA-N	-1	0	307.354	0.646	20	30		DCEDRM
C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001603831026	1169405412	/nfs/dbraw/zinc/40/54/12/1169405412.db2.gz	SQQLBNIZDHXACL-RNFRBKRXSA-N	-1	0	314.309	0.405	20	30		DCEDRM
C[C@@H](O)c1cn(C2CN(c3ccc(C(=O)[O-])nc3C#N)C2)nn1	ZINC001604389236	1169580096	/nfs/dbraw/zinc/58/00/96/1169580096.db2.gz	PLXSUFQLPWTRGP-MRVPVSSYSA-N	-1	0	314.305	0.358	20	30		DCEDRM
C[C@@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)CN1C(=O)C#CC1CC1	ZINC001604675969	1169651453	/nfs/dbraw/zinc/65/14/53/1169651453.db2.gz	CYRQXKZISNOEMG-PWSUYJOCSA-N	-1	0	314.345	0.411	20	30		DCEDRM
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1Nc1ncc(C(=O)[O-])cn1	ZINC001604766837	1169674026	/nfs/dbraw/zinc/67/40/26/1169674026.db2.gz	BTFMIEGSIHFIJA-MFKMUULPSA-N	-1	0	314.345	0.847	20	30		DCEDRM
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCCC(=O)[O-]	ZINC001604812350	1169692326	/nfs/dbraw/zinc/69/23/26/1169692326.db2.gz	BZFQKVLSYQEECN-LLVKDONJSA-N	-1	0	317.349	0.640	20	30		DCEDRM
CC[C@H](C)[C@H](C(=O)[O-])N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC001604923882	1169744808	/nfs/dbraw/zinc/74/48/08/1169744808.db2.gz	PRMJPRUNGYZSBV-SBFPOUOMSA-N	-1	0	300.380	0.356	20	30		DCEDRM
CO[C@]1(C)CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001605016045	1169779942	/nfs/dbraw/zinc/77/99/42/1169779942.db2.gz	SHCYTJSPDWQYDW-CYBMUJFWSA-N	-1	0	300.326	0.534	20	30		DCEDRM
CO[C@@]1(C)CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001605016051	1169780085	/nfs/dbraw/zinc/78/00/85/1169780085.db2.gz	SHCYTJSPDWQYDW-ZDUSSCGKSA-N	-1	0	300.326	0.534	20	30		DCEDRM
CC[C@@H](CNC(=O)C#CC1CC1)Nc1ccnc(C(=O)[O-])n1	ZINC001605023357	1169783959	/nfs/dbraw/zinc/78/39/59/1169783959.db2.gz	JVINJLDQFSTZSI-NSHDSACASA-N	-1	0	302.334	0.317	20	30		DCEDRM
CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001605448064	1169924210	/nfs/dbraw/zinc/92/42/10/1169924210.db2.gz	QNACZNHCKPTYME-MNOVXSKESA-N	-1	0	303.322	0.329	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(C[C@@H]2CCCC[C@@H]2C(=O)[O-])c1=O	ZINC001605915732	1170026895	/nfs/dbraw/zinc/02/68/95/1170026895.db2.gz	WNZAKXRNPYELGK-JQWIXIFHSA-N	-1	0	305.334	0.793	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)NCC(C)(C)C	ZINC001606018073	1170051861	/nfs/dbraw/zinc/05/18/61/1170051861.db2.gz	QROACNQVVQAOOM-UHFFFAOYSA-N	-1	0	302.342	0.406	20	30		DCEDRM
Cc1nc(C#N)c(-c2nn[nH]n2)n1Cc1nc(CC(C)C)no1	ZINC001606024225	1170055341	/nfs/dbraw/zinc/05/53/41/1170055341.db2.gz	YGSLCDBYWAQPNS-UHFFFAOYSA-N	-1	0	313.325	0.873	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001606166027	1170098713	/nfs/dbraw/zinc/09/87/13/1170098713.db2.gz	NMFJTNQSMPHJFP-NSHDSACASA-N	-1	0	307.281	0.056	20	30		DCEDRM
N#CCn1cc(NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)cn1	ZINC001606354858	1170168108	/nfs/dbraw/zinc/16/81/08/1170168108.db2.gz	VGWVWQFXCZBTLM-UHFFFAOYSA-N	-1	0	310.277	0.545	20	30		DCEDRM
N#Cc1ccc(CCn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)cc1	ZINC001606367605	1170171726	/nfs/dbraw/zinc/17/17/26/1170171726.db2.gz	MDGDSFKZMDYKJQ-UHFFFAOYSA-N	-1	0	309.289	0.243	20	30		DCEDRM
N#Cc1ncc(N2CC[C@@H]2[C@@H]2CCCOC2)nc1-c1nnn[n-]1	ZINC001606396923	1170184027	/nfs/dbraw/zinc/18/40/27/1170184027.db2.gz	BRZWDNMQANWQFL-MWLCHTKSSA-N	-1	0	312.337	0.534	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCN(CC(F)F)C2)nc1-c1nnn[n-]1	ZINC001606398386	1170185034	/nfs/dbraw/zinc/18/50/34/1170185034.db2.gz	ZLKYENQONKWYDG-SSDOTTSWSA-N	-1	0	321.295	0.280	20	30		DCEDRM
COC(=O)[C@H]1COCCN1Cc1cccc(C(=O)[O-])c1C#N	ZINC001606430561	1170198073	/nfs/dbraw/zinc/19/80/73/1170198073.db2.gz	CIWHUMDOAGPDPN-CYBMUJFWSA-N	-1	0	304.302	0.630	20	30		DCEDRM
COC(=O)CC[C@@H](/N=C/c1c(CO)cnc(C)c1O)C(=O)[O-]	ZINC001606459010	1170213197	/nfs/dbraw/zinc/21/31/97/1170213197.db2.gz	XUMVDERHDRKKON-OHUUDMDPSA-N	-1	0	310.306	0.413	20	30		DCEDRM
COC(=O)C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC001606476485	1170217211	/nfs/dbraw/zinc/21/72/11/1170217211.db2.gz	ILQPLUDENUKZAC-LLVKDONJSA-N	-1	0	307.258	0.497	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1	ZINC001606995976	1170348111	/nfs/dbraw/zinc/34/81/11/1170348111.db2.gz	IUGMVOLJPYOWFV-CHWSQXEVSA-N	-1	0	306.318	0.575	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001607064904	1170376199	/nfs/dbraw/zinc/37/61/99/1170376199.db2.gz	BQFQUYDETZGPEY-MNOVXSKESA-N	-1	0	304.302	0.474	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)NC1(CC(=O)[O-])CC1	ZINC001607065325	1170376320	/nfs/dbraw/zinc/37/63/20/1170376320.db2.gz	MWNJLKIDQSMBCT-UHFFFAOYSA-N	-1	0	317.301	0.629	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)NCC(C)(C)C(=O)[O-]	ZINC001607064922	1170376360	/nfs/dbraw/zinc/37/63/60/1170376360.db2.gz	CJKXUCJOYAMWQE-UHFFFAOYSA-N	-1	0	319.317	0.732	20	30		DCEDRM
C[C@@H]1CN(C(=O)NC2CCN(CC#N)CC2)C[C@H]1CC(=O)[O-]	ZINC001607432401	1170452180	/nfs/dbraw/zinc/45/21/80/1170452180.db2.gz	XLBMMMGBBYOXOO-VXGBXAGGSA-N	-1	0	308.382	0.727	20	30		DCEDRM
C[C@H](C(=O)N(CC#N)CC(=O)[O-])N1Cc2ccccc2C1=O	ZINC001607449248	1170456283	/nfs/dbraw/zinc/45/62/83/1170456283.db2.gz	HBZAMTKNCNYSHS-SNVBAGLBSA-N	-1	0	301.302	0.468	20	30		DCEDRM
C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1c[nH]c(C#N)c1	ZINC001607453369	1170457515	/nfs/dbraw/zinc/45/75/15/1170457515.db2.gz	AUKCSZOUEDLVMB-MRVPVSSYSA-N	-1	0	314.305	0.027	20	30		DCEDRM
Cc1c(C(=O)[O-])cc(CN=Nc2ccc(C(N)=O)nn2)n1C	ZINC001607510627	1170471196	/nfs/dbraw/zinc/47/11/96/1170471196.db2.gz	AIHKXBRYQMGHHO-UHFFFAOYSA-N	-1	0	302.294	0.367	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC001607566590	1170477494	/nfs/dbraw/zinc/47/74/94/1170477494.db2.gz	YMYCFEBYADVMOX-OAHLLOKOSA-N	-1	0	313.317	0.732	20	30		DCEDRM
Cc1cc(C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])ncc1C#N	ZINC001607574788	1170478921	/nfs/dbraw/zinc/47/89/21/1170478921.db2.gz	DRZXUQWOYQEGBT-OAHLLOKOSA-N	-1	0	313.317	0.732	20	30		DCEDRM
Cc1cc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)oc1C(=O)[O-]	ZINC001607703298	1170497851	/nfs/dbraw/zinc/49/78/51/1170497851.db2.gz	HZCOSMACMGTEJF-LBPRGKRZSA-N	-1	0	314.319	0.589	20	30		DCEDRM
Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1C#N	ZINC001607781319	1170506532	/nfs/dbraw/zinc/50/65/32/1170506532.db2.gz	OWVKJAPOOVINKL-GFCCVEGCSA-N	-1	0	315.329	0.416	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001607838486	1170511515	/nfs/dbraw/zinc/51/15/15/1170511515.db2.gz	LJCUNQWQLVORSY-VXGBXAGGSA-N	-1	0	324.358	0.465	20	30		DCEDRM
Cc1csc(C(=O)[O-])c1S(=O)(=O)N1CCOC[C@@H]1C#N	ZINC001607926432	1170526845	/nfs/dbraw/zinc/52/68/45/1170526845.db2.gz	DXDNDFJOVGJYSP-QMMMGPOBSA-N	-1	0	316.360	0.668	20	30		DCEDRM
Cc1oc(CNC(=O)C(=O)N2CCC(C#N)CC2)cc1C(=O)[O-]	ZINC001608049633	1170559048	/nfs/dbraw/zinc/55/90/48/1170559048.db2.gz	GJHZGBNNCIYDEP-UHFFFAOYSA-N	-1	0	319.317	0.665	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)c1cc(C#N)ccc1F)C(=O)[O-]	ZINC001608162736	1170604098	/nfs/dbraw/zinc/60/40/98/1170604098.db2.gz	HCWMGEZPFNFADC-LBPRGKRZSA-N	-1	0	302.265	0.987	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)c2ccsc2CC(=O)[O-])CC1	ZINC001608178821	1170611016	/nfs/dbraw/zinc/61/10/16/1170611016.db2.gz	CGULSVPNGXNDBQ-UHFFFAOYSA-N	-1	0	321.358	0.573	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CCOc1cccc(C(N)=O)c1	ZINC001608185088	1170611946	/nfs/dbraw/zinc/61/19/46/1170611946.db2.gz	BGZABZSFKRZDSI-UHFFFAOYSA-N	-1	0	319.317	0.381	20	30		DCEDRM
N#Cc1c(CN2CCn3nnc(CO)c3C2)cccc1C(=O)[O-]	ZINC001608190277	1170612438	/nfs/dbraw/zinc/61/24/38/1170612438.db2.gz	CIECFZOSIJBUSS-UHFFFAOYSA-N	-1	0	313.317	0.356	20	30		DCEDRM
N#CCN1CCC(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1	ZINC001608187689	1170612748	/nfs/dbraw/zinc/61/27/48/1170612748.db2.gz	BPORZMCULLZJOW-LRDDRELGSA-N	-1	0	320.393	0.871	20	30		DCEDRM
N#Cc1c(F)cccc1CN1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001608194634	1170613720	/nfs/dbraw/zinc/61/37/20/1170613720.db2.gz	SWHKBWOFMYXLFD-CYBMUJFWSA-N	-1	0	305.309	0.863	20	30		DCEDRM
N#Cc1c2ccccc2[nH]c1C(=O)N[C@@H](Cn1cncn1)C(=O)[O-]	ZINC001608190995	1170613984	/nfs/dbraw/zinc/61/39/84/1170613984.db2.gz	GDJURAWBVFWLBX-LBPRGKRZSA-N	-1	0	324.300	0.514	20	30		DCEDRM
N#Cc1ccc(CC(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])cn1	ZINC001608204169	1170615058	/nfs/dbraw/zinc/61/50/58/1170615058.db2.gz	VRNZJNKYYUCJGF-GXTWGEPZSA-N	-1	0	317.345	0.882	20	30		DCEDRM
N#Cc1cncc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c1	ZINC001608223054	1170618316	/nfs/dbraw/zinc/61/83/16/1170618316.db2.gz	PZUCPDLHSGUVAT-LBPRGKRZSA-N	-1	0	309.347	0.027	20	30		DCEDRM
N#Cc1ccccc1/C=C/C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC001608220781	1170618511	/nfs/dbraw/zinc/61/85/11/1170618511.db2.gz	IZVZYHVFYRWSRQ-GFUIURDCSA-N	-1	0	313.313	0.373	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCC[C@@H](CNC(N)=O)C1	ZINC001608223603	1170619611	/nfs/dbraw/zinc/61/96/11/1170619611.db2.gz	GFCGDWOBFGJKBN-VIFPVBQESA-N	-1	0	303.322	0.536	20	30		DCEDRM
O=C([O-])c1cc(Br)cc(C(=O)NCC#CCO)c1	ZINC001608833218	1170763218	/nfs/dbraw/zinc/76/32/18/1170763218.db2.gz	BNXPRWYWMACVHA-UHFFFAOYSA-N	-1	0	312.119	0.873	20	30		DCEDRM
O=C([O-])[C@@]1(C(=O)N[C@@H]2CCCN(O)C2=O)C[C@H]1c1ccccc1	ZINC001609030905	1170788020	/nfs/dbraw/zinc/78/80/20/1170788020.db2.gz	HKVYYHAZAUHTAY-OZVIIMIRSA-N	-1	0	318.329	0.741	20	30		DCEDRM
C=CC1CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC1	ZINC001609052853	1170793052	/nfs/dbraw/zinc/79/30/52/1170793052.db2.gz	RZYXOCZITUQDBV-UHFFFAOYSA-N	-1	0	317.357	0.066	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)[C@@H]1CCCO1	ZINC001609058169	1170794883	/nfs/dbraw/zinc/79/48/83/1170794883.db2.gz	QZPRVNGLTUQHGD-JQWIXIFHSA-N	-1	0	310.331	0.239	20	30		DCEDRM
C#CC[C@H](NC(=O)CCCNC(=O)NC1CCCCC1)C(=O)[O-]	ZINC001609078852	1170802368	/nfs/dbraw/zinc/80/23/68/1170802368.db2.gz	MIZWYSSDUDCGDI-ZDUSSCGKSA-N	-1	0	323.393	0.991	20	30		DCEDRM
C#CC[C@H](NC(=O)CCOc1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC001609078842	1170802807	/nfs/dbraw/zinc/80/28/07/1170802807.db2.gz	LKZQRQRPONFGLL-LBPRGKRZSA-N	-1	0	304.302	0.147	20	30		DCEDRM
C#CCOCCNC(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1	ZINC001609167676	1170837345	/nfs/dbraw/zinc/83/73/45/1170837345.db2.gz	RKZFKVGRQFFXFA-UHFFFAOYSA-N	-1	0	320.345	0.941	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001609226718	1170879591	/nfs/dbraw/zinc/87/95/91/1170879591.db2.gz	VICUWKCSZVUCGQ-JQWIXIFHSA-N	-1	0	323.353	0.257	20	30		DCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001609329204	1170940854	/nfs/dbraw/zinc/94/08/54/1170940854.db2.gz	JRFJZTCLLTXYJD-SRVKXCTJSA-N	-1	0	312.366	0.141	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001609631251	1171055653	/nfs/dbraw/zinc/05/56/53/1171055653.db2.gz	VLHYYVMEZFJSCV-VIFPVBQESA-N	-1	0	305.290	0.364	20	30		DCEDRM
C[C@@H](C#N)CN(CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O)C1CC1	ZINC001609631320	1171056461	/nfs/dbraw/zinc/05/64/61/1171056461.db2.gz	XPNKWOJKCRLWPN-ZUZCIYMTSA-N	-1	0	322.365	0.743	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001609831407	1171098819	/nfs/dbraw/zinc/09/88/19/1171098819.db2.gz	BPGOWGMVFUSMKD-WIHULJDFSA-N	-1	0	321.333	0.225	20	30		DCEDRM
CCCCC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC001609967182	1171128618	/nfs/dbraw/zinc/12/86/18/1171128618.db2.gz	LWSAQQAUCQFOTK-GHMZBOCLSA-N	-1	0	305.400	0.946	20	30		DCEDRM
CO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@@H](C(=O)[O-])C1	ZINC001610239666	1171204302	/nfs/dbraw/zinc/20/43/02/1171204302.db2.gz	KGXKWDUOXNYYKX-PSASIEDQSA-N	-1	0	314.319	0.404	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)NC1(C(=O)[O-])CC1	ZINC001610312148	1171218348	/nfs/dbraw/zinc/21/83/48/1171218348.db2.gz	QSJBVRAQTFDPGS-UHFFFAOYSA-N	-1	0	303.274	0.239	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1	ZINC001610432835	1171235415	/nfs/dbraw/zinc/23/54/15/1171235415.db2.gz	NJJASPNKQFPLHB-OAHLLOKOSA-N	-1	0	319.292	0.830	20	30		DCEDRM
N#CC1(C(=O)[O-])CC[NH+](CC(=O)[N-]OCc2ccccc2)CC1	ZINC001610618224	1171270144	/nfs/dbraw/zinc/27/01/44/1171270144.db2.gz	WRUMQRVYXYQSQX-UHFFFAOYSA-N	-1	0	317.345	0.925	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCSC[C@H](C(=O)[O-])C2)CCC1	ZINC001610619744	1171270552	/nfs/dbraw/zinc/27/05/52/1171270552.db2.gz	QPEKPWLZZDKURK-SNVBAGLBSA-N	-1	0	318.420	0.760	20	30		DCEDRM
N#CCCn1ccc(NC(=O)Nc2ccn(CC(=O)[O-])n2)n1	ZINC001610622181	1171271783	/nfs/dbraw/zinc/27/17/83/1171271783.db2.gz	MNTFFIMPUSMQTQ-UHFFFAOYSA-N	-1	0	303.282	0.722	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)cc1	ZINC001610628083	1171272462	/nfs/dbraw/zinc/27/24/62/1171272462.db2.gz	YRUSJMAJPHMQFW-HIFRSBDPSA-N	-1	0	304.302	0.342	20	30		DCEDRM
N#Cc1cccc(N2CCN(c3cncc(C(=O)[O-])n3)CC2)n1	ZINC001610630832	1171272883	/nfs/dbraw/zinc/27/28/83/1171272883.db2.gz	GAXJPMPQDNEJIH-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)c2cccc(OCC(=O)[O-])c2)n1	ZINC001610636923	1171274553	/nfs/dbraw/zinc/27/45/53/1171274553.db2.gz	PDPXAVCAPJPDDC-UHFFFAOYSA-N	-1	0	315.289	0.043	20	30		DCEDRM
C=CCn1cc(C[N-]S(=O)(=O)N=S(=O)(CC)CC)nn1	ZINC001622265000	1171421871	/nfs/dbraw/zinc/42/18/71/1171421871.db2.gz	YFKNPWXHCNUCGZ-UHFFFAOYSA-N	-1	0	321.428	0.306	20	30		DCEDRM
Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]Oc1cccc(C#N)c1	ZINC001635506674	1171706516	/nfs/dbraw/zinc/70/65/16/1171706516.db2.gz	PAPBPPQVVBZLMJ-UHFFFAOYSA-N	-1	0	323.312	0.855	20	30		DCEDRM
CC(=O)CCCCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001636564532	1171741970	/nfs/dbraw/zinc/74/19/70/1171741970.db2.gz	MNXYGBLIJFBUFV-UHFFFAOYSA-N	-1	0	306.322	0.086	20	30		DCEDRM
C=CCNC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC001637324739	1171762794	/nfs/dbraw/zinc/76/27/94/1171762794.db2.gz	IEKVEEMJILNITF-UHFFFAOYSA-N	-1	0	313.697	0.986	20	30		DCEDRM
CON(Cc1ccccc1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001638313282	1171795171	/nfs/dbraw/zinc/79/51/71/1171795171.db2.gz	OGTDYCNQTRWZCD-UHFFFAOYSA-N	-1	0	314.301	0.411	20	30		DCEDRM
C#CCC1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCOCC1	ZINC001638615145	1171802921	/nfs/dbraw/zinc/80/29/21/1171802921.db2.gz	AXWJJGSOGFLELQ-UHFFFAOYSA-N	-1	0	308.338	0.158	20	30		DCEDRM
C#C[C@H](CO)NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-]	ZINC001641575145	1171921028	/nfs/dbraw/zinc/92/10/28/1171921028.db2.gz	XDLXVOQABOOMGY-SNVBAGLBSA-N	-1	0	303.293	0.749	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@H](Cc3nccs3)C2)c(C#N)c1=O	ZINC001647633484	1173008481	/nfs/dbraw/zinc/00/84/81/1173008481.db2.gz	SEZGSGLXOFPJIU-SECBINFHSA-N	-1	0	317.374	0.471	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2ccc(Br)nc2)c(C#N)c1=O	ZINC001650837731	1173734310	/nfs/dbraw/zinc/73/43/10/1173734310.db2.gz	UIHIJUNNNIQCLX-UHFFFAOYSA-N	-1	0	323.106	0.895	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cn1	ZINC001669910097	1174961066	/nfs/dbraw/zinc/96/10/66/1174961066.db2.gz	LORMXJVJBKUVKZ-JTQLQIEISA-N	-1	0	314.349	0.137	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001673059275	1175171091	/nfs/dbraw/zinc/17/10/91/1175171091.db2.gz	LQMBTRGSJPFYMG-ABAIWWIYSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N=c1nn[n-]n1CC	ZINC001677565957	1175582454	/nfs/dbraw/zinc/58/24/54/1175582454.db2.gz	MXDCVIDFEUGJNC-UHFFFAOYSA-N	-1	0	320.353	0.810	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001678129687	1175626090	/nfs/dbraw/zinc/62/60/90/1175626090.db2.gz	VOJXKUAFGXXUHI-MWLCHTKSSA-N	-1	0	324.381	0.592	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001684298539	1175996982	/nfs/dbraw/zinc/99/69/82/1175996982.db2.gz	AZKXAZZDZYLYKG-NWDGAFQWSA-N	-1	0	321.381	0.828	20	30		DCEDRM
C=CCOCC(=O)NC[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C1CC1	ZINC001687939825	1176312384	/nfs/dbraw/zinc/31/23/84/1176312384.db2.gz	MMIBOAUHXIEQLN-LLVKDONJSA-N	-1	0	322.365	0.251	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001713092567	1180679875	/nfs/dbraw/zinc/67/98/75/1180679875.db2.gz	AULQZJSLZAJVQQ-LBPRGKRZSA-N	-1	0	317.393	0.785	20	30		DCEDRM
C=CCCCC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1	ZINC001717012037	1182620955	/nfs/dbraw/zinc/62/09/55/1182620955.db2.gz	CSLMAHDEUNGCGF-TXEJJXNPSA-N	-1	0	305.382	0.757	20	30		DCEDRM
C=CCCCC(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001717139399	1182692086	/nfs/dbraw/zinc/69/20/86/1182692086.db2.gz	YBMRBEMNLLHHJJ-NSHDSACASA-N	-1	0	309.370	0.184	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001717595902	1182917242	/nfs/dbraw/zinc/91/72/42/1182917242.db2.gz	KSGWTRJXZIFRDP-CNDDSTCGSA-N	-1	0	303.366	0.108	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)C#CC(C)C)c1[O-]	ZINC001718544151	1183256725	/nfs/dbraw/zinc/25/67/25/1183256725.db2.gz	LUWZVECXFGMDTD-JTQLQIEISA-N	-1	0	306.366	0.660	20	30		DCEDRM
C=CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-]	ZINC001720872109	1183745580	/nfs/dbraw/zinc/74/55/80/1183745580.db2.gz	NSCGRRSJWOCAQZ-IAZYJMLFSA-N	-1	0	304.350	0.577	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001721937039	1184116455	/nfs/dbraw/zinc/11/64/55/1184116455.db2.gz	IQRKMHZCPXHEGB-ONGXEEELSA-N	-1	0	324.381	0.639	20	30		DCEDRM
C=CCOCC(=O)NC[C@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001725240727	1184732688	/nfs/dbraw/zinc/73/26/88/1184732688.db2.gz	RFCYWVJGYMGKIM-GFCCVEGCSA-N	-1	0	323.397	0.574	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)N(C)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC001734598973	1186699187	/nfs/dbraw/zinc/69/91/87/1186699187.db2.gz	PQUFTFYWXAJWSO-ZEPSKSRBSA-N	-1	0	321.425	0.790	20	30		DCEDRM
N#CCSCC(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001734619840	1186708074	/nfs/dbraw/zinc/70/80/74/1186708074.db2.gz	LCJOZKCUMXPVSJ-UHFFFAOYSA-N	-1	0	322.394	0.015	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CC)Cc1n[nH]c(=O)[n-]1	ZINC001753088691	1188495531	/nfs/dbraw/zinc/49/55/31/1188495531.db2.gz	OKMKGDCISDKOAQ-MNOVXSKESA-N	-1	0	309.370	0.040	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001753123909	1188507641	/nfs/dbraw/zinc/50/76/41/1188507641.db2.gz	RBWNSAAEKOQLNA-NWDGAFQWSA-N	-1	0	323.397	0.430	20	30		DCEDRM
CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C#CC1CC1	ZINC001755406430	1189104628	/nfs/dbraw/zinc/10/46/28/1189104628.db2.gz	FUFLYSQXDWHFCJ-LLVKDONJSA-N	-1	0	303.366	0.250	20	30		DCEDRM
C#CCCCC(=O)N(C)C1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001756738677	1189444479	/nfs/dbraw/zinc/44/44/79/1189444479.db2.gz	XTCMDFCUWTYLDH-UHFFFAOYSA-N	-1	0	318.377	0.946	20	30		DCEDRM
C#CCCCC(=O)NC1CCC(NC(=O)c2cn[nH]n2)CC1	ZINC001758768141	1189986962	/nfs/dbraw/zinc/98/69/62/1189986962.db2.gz	PLHXXZLCMSYRRD-UHFFFAOYSA-N	-1	0	303.366	0.765	20	30		DCEDRM
C=CCCC(=O)NC[C@]1(O)CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001760092901	1190378604	/nfs/dbraw/zinc/37/86/04/1190378604.db2.gz	VZRXOXTXQQPJFX-OAHLLOKOSA-N	-1	0	322.365	0.083	20	30		DCEDRM
CO[C@H]1CN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)CCO1	ZINC001771797419	1190502869	/nfs/dbraw/zinc/50/28/69/1190502869.db2.gz	YEBQJAPZDDMWBJ-SNVBAGLBSA-N	-1	0	309.347	0.826	20	30		DCEDRM
C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001089665654	751512423	/nfs/dbraw/zinc/51/24/23/751512423.db2.gz	ZHUWPWRUTHOZQM-SNVBAGLBSA-N	-1	0	321.381	0.689	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c(=O)[n-]c1=O	ZINC001167526710	747355452	/nfs/dbraw/zinc/35/54/52/747355452.db2.gz	BRQSZIRHKWZYLS-NTZNESFSSA-N	-1	0	314.345	0.539	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCN(C)c2ccc(C#N)cn2)c1[O-]	ZINC001105369298	748569771	/nfs/dbraw/zinc/56/97/71/748569771.db2.gz	WMKUPJMKGIKEMZ-UHFFFAOYSA-N	-1	0	314.349	0.899	20	30		DCEDRM
COc1ccc(C#N)c(NC(=N)SCCS(=O)(=O)[O-])n1	ZINC001168097583	749406057	/nfs/dbraw/zinc/40/60/57/749406057.db2.gz	XNZZRKGYBIKKDE-UHFFFAOYSA-N	-1	0	316.364	0.930	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(CC)ncn1	ZINC001228290331	749411648	/nfs/dbraw/zinc/41/16/48/749411648.db2.gz	PMRUTPNNELTSTH-NSHDSACASA-N	-1	0	302.352	0.877	20	30		DCEDRM
CCN(CCNc1ccc(C#N)nn1)C(=O)c1n[nH]c(C)c1[O-]	ZINC001106726019	751248456	/nfs/dbraw/zinc/24/84/56/751248456.db2.gz	YRPBMXINDKRCDY-UHFFFAOYSA-N	-1	0	315.337	0.660	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001071807668	762151376	/nfs/dbraw/zinc/15/13/76/762151376.db2.gz	AWOYLPMXJVBXLE-KOLCDFICSA-N	-1	0	322.365	0.203	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001071908854	762217983	/nfs/dbraw/zinc/21/79/83/762217983.db2.gz	COLMYNRLXXPDDX-SKDRFNHKSA-N	-1	0	316.361	0.414	20	30		DCEDRM
N#Cc1c(N)nc(=NC2CC2)n(-c2cc(F)cc(F)c2[O-])c1N	ZINC001212479935	753568607	/nfs/dbraw/zinc/56/86/07/753568607.db2.gz	ZUOIJAIHKVHBAB-UHFFFAOYSA-N	-1	0	318.287	0.955	20	30		DCEDRM
C=CCCC(=O)N1CCOC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001061502888	753985867	/nfs/dbraw/zinc/98/58/67/753985867.db2.gz	IDHCYLRXNMZZGE-LLVKDONJSA-N	-1	0	322.365	0.347	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)N(C)c2ncccc2C#N)c1[O-]	ZINC001113551346	762380758	/nfs/dbraw/zinc/38/07/58/762380758.db2.gz	GRIZVEXZQRASMH-VIFPVBQESA-N	-1	0	314.349	0.945	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2cncc(C#N)n2)c1[O-]	ZINC001097806308	755750154	/nfs/dbraw/zinc/75/01/54/755750154.db2.gz	ZTPMJGRXOHXNKY-SSDOTTSWSA-N	-1	0	301.310	0.316	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](C)[C@@H](NCC#N)C2)cc1=O	ZINC001054873123	756662334	/nfs/dbraw/zinc/66/23/34/756662334.db2.gz	UVGXXYNUEPDDDP-OCCSQVGLSA-N	-1	0	319.409	0.335	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCN(c3nccnc3C#N)CC2)c1[O-]	ZINC001055775426	756913168	/nfs/dbraw/zinc/91/31/68/756913168.db2.gz	FGSMRUCVMIOKMR-UHFFFAOYSA-N	-1	0	313.321	0.048	20	30		DCEDRM
O=C(C#CC1CC1)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001050045234	757302544	/nfs/dbraw/zinc/30/25/44/757302544.db2.gz	YKOOOTIMOKRJLL-QWHCGFSZSA-N	-1	0	315.377	0.347	20	30		DCEDRM
C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001085699345	759210954	/nfs/dbraw/zinc/21/09/54/759210954.db2.gz	LQTSUVBZLJNVBF-MRVPVSSYSA-N	-1	0	313.745	0.182	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)c1[O-]	ZINC001058327866	759893247	/nfs/dbraw/zinc/89/32/47/759893247.db2.gz	GDSJBSOZUMJZMY-VIFPVBQESA-N	-1	0	313.321	0.094	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CN(C)c2ncccc2C#N)c1[O-]	ZINC001108901713	761129392	/nfs/dbraw/zinc/12/93/92/761129392.db2.gz	PUOCSXHGSFKJPQ-SECBINFHSA-N	-1	0	314.349	0.945	20	30		DCEDRM
N#Cc1nccc(NC[C@H](NC(=O)c2ncccc2O)C2CC2)n1	ZINC001109821296	761568209	/nfs/dbraw/zinc/56/82/09/761568209.db2.gz	BMFQFYRYANSWFG-NSHDSACASA-N	-1	0	324.344	0.491	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001131945754	764142870	/nfs/dbraw/zinc/14/28/70/764142870.db2.gz	ACGUMUFOLCPQEI-MNOVXSKESA-N	-1	0	309.370	0.182	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCNc2nc(C)cc(C#N)n2)c1[O-]	ZINC001101555407	764153376	/nfs/dbraw/zinc/15/33/76/764153376.db2.gz	QQECIMYWPBYTNI-UHFFFAOYSA-N	-1	0	315.337	0.578	20	30		DCEDRM
CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1ccnc(C#N)n1	ZINC001103046362	764920781	/nfs/dbraw/zinc/92/07/81/764920781.db2.gz	RPDFWHLDIWSROL-VIFPVBQESA-N	-1	0	315.337	0.128	20	30		DCEDRM
C[C@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983931	765297616	/nfs/dbraw/zinc/29/76/16/765297616.db2.gz	JZMUKMRLODJAPI-MWLCHTKSSA-N	-1	0	321.358	0.763	20	30		DCEDRM
C[C@H](CO)NN=Cc1c(Br)cc(C(=O)[O-])n1C	ZINC001116213169	765851052	/nfs/dbraw/zinc/85/10/52/765851052.db2.gz	VLZYXSALBLPQJV-ZCFIWIBFSA-N	-1	0	304.144	0.790	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2cn(C)nc2C(F)F)c1=O	ZINC001117692202	766128443	/nfs/dbraw/zinc/12/84/43/766128443.db2.gz	DLDUNOJEPKDKOD-UHFFFAOYSA-N	-1	0	300.294	0.789	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cnc2c(cnn2C)c1)C(=O)[O-]	ZINC001118191639	766251932	/nfs/dbraw/zinc/25/19/32/766251932.db2.gz	IWLIQZCPNSZEMX-LLVKDONJSA-N	-1	0	324.362	0.666	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC001118482061	766328614	/nfs/dbraw/zinc/32/86/14/766328614.db2.gz	HBWMJDVTYHRVSF-LLVKDONJSA-N	-1	0	310.350	0.161	20	30		DCEDRM
N#C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccc(Cl)cc1	ZINC001136630432	766384732	/nfs/dbraw/zinc/38/47/32/766384732.db2.gz	QIJNZVBSEWDWGN-SECBINFHSA-N	-1	0	307.697	0.724	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1	ZINC001119334078	766635184	/nfs/dbraw/zinc/63/51/84/766635184.db2.gz	HPAYYQFNSTTWQB-BETUJISGSA-N	-1	0	300.314	0.264	20	30		DCEDRM
C=CCCC(C)(C)CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001119336846	766636190	/nfs/dbraw/zinc/63/61/90/766636190.db2.gz	VHPWVGQFAZPHNA-LLVKDONJSA-N	-1	0	312.366	0.407	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC2(C#N)CCOCC2)cc1=O	ZINC001120349422	766972580	/nfs/dbraw/zinc/97/25/80/766972580.db2.gz	ZXUWJQUCAUYGDV-UHFFFAOYSA-N	-1	0	306.366	0.564	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C(F)(F)C(F)F)C2)c(=O)[n-]c1=O	ZINC001120754042	767183833	/nfs/dbraw/zinc/18/38/33/767183833.db2.gz	MFDHHZUCUSBHOB-UHFFFAOYSA-N	-1	0	320.202	0.104	20	30		DCEDRM
C=C/C(C)=C/CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001120832508	767247844	/nfs/dbraw/zinc/24/78/44/767247844.db2.gz	KMQPFLBBHIFNNG-ONNFQVAWSA-N	-1	0	300.318	0.726	20	30		DCEDRM
C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NCc1nnn[n-]1	ZINC001146230646	767413055	/nfs/dbraw/zinc/41/30/55/767413055.db2.gz	SFDGRLISYZMXQZ-AMIZOPFISA-N	-1	0	308.342	0.285	20	30		DCEDRM
C#Cc1cncc(C(=O)N[C@@H](C)c2nc(C(=O)OCC)n[nH]2)c1	ZINC001146867299	767544335	/nfs/dbraw/zinc/54/43/35/767544335.db2.gz	YCNGQCRTIZSJCA-VIFPVBQESA-N	-1	0	313.317	0.849	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(OCC(N)=O)cc1	ZINC001122624740	767846285	/nfs/dbraw/zinc/84/62/85/767846285.db2.gz	MJJUWTURPLEUKF-ZDUSSCGKSA-N	-1	0	315.329	0.496	20	30		DCEDRM
C=CCN(CC(=O)OCC)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001137616846	768384790	/nfs/dbraw/zinc/38/47/90/768384790.db2.gz	DDCGKCLMPGPJAV-UHFFFAOYSA-N	-1	0	312.326	0.047	20	30		DCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC001141380335	768578100	/nfs/dbraw/zinc/57/81/00/768578100.db2.gz	MKKJWOLMRAGYNT-ZETCQYMHSA-N	-1	0	315.669	0.674	20	30		DCEDRM
Cc1cc(C(=O)N(C)C)ccc1NC(=N[O-])c1nonc1N	ZINC001212726998	769613850	/nfs/dbraw/zinc/61/38/50/769613850.db2.gz	DTZOAQOZRGOPMN-UHFFFAOYSA-N	-1	0	304.310	0.910	20	30		DCEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1	ZINC001234375080	769639934	/nfs/dbraw/zinc/63/99/34/769639934.db2.gz	IAYULHKUSHDELZ-ZJUUUORDSA-N	-1	0	304.298	0.388	20	30		DCEDRM
N#Cc1cnn(-c2ncccn2)c1Nc1cnn(CC(=O)[O-])c1	ZINC001176264318	770066751	/nfs/dbraw/zinc/06/67/51/770066751.db2.gz	ARICPDFGTVKWDV-UHFFFAOYSA-N	-1	0	310.277	0.559	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(CC)Cc1n[nH]c(=O)[n-]1	ZINC001155326340	770468491	/nfs/dbraw/zinc/46/84/91/770468491.db2.gz	YCPQKRHEPIVWQE-UTUOFQBUSA-N	-1	0	323.397	0.428	20	30		DCEDRM
N#Cc1ccccc1OCCCNC(=O)Cn1nn[n-]c1=S	ZINC001177743147	770542616	/nfs/dbraw/zinc/54/26/16/770542616.db2.gz	KPOHUUJAIJAQCF-UHFFFAOYSA-N	-1	0	318.362	0.419	20	30		DCEDRM
COCC1(CNC(=O)c2[nH]nc(C)c2[O-])CCN(CC#N)CC1	ZINC001162208735	772341606	/nfs/dbraw/zinc/34/16/06/772341606.db2.gz	NJEUVWHAMXNGOD-UHFFFAOYSA-N	-1	0	321.381	0.406	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccccc2-n2ccnc2)c(C#N)c1=O	ZINC001162950455	772435471	/nfs/dbraw/zinc/43/54/71/772435471.db2.gz	XIUVAXPMVZJTRF-UHFFFAOYSA-N	-1	0	322.328	0.743	20	30		DCEDRM
CCOC(=O)[C@H](C#N)NC(=O)c1ccccc1S(=O)(=O)[O-]	ZINC001189703355	772519280	/nfs/dbraw/zinc/51/92/80/772519280.db2.gz	HBHPFLQJFMDEDT-VIFPVBQESA-N	-1	0	312.303	0.118	20	30		DCEDRM
C=C(C)C(=O)OCCNS(=O)(=O)c1ccc(F)c(OC)n1	ZINC001190116760	772593478	/nfs/dbraw/zinc/59/34/78/772593478.db2.gz	LHPJYMYPBWBOHR-UHFFFAOYSA-N	-1	0	318.326	0.627	20	30		DCEDRM
N#Cc1ccccc1OC1CN(S(=O)(=O)c2ncc[n-]2)C1	ZINC001190718349	772663703	/nfs/dbraw/zinc/66/37/03/772663703.db2.gz	DZWPBSMZXSPOOI-UHFFFAOYSA-N	-1	0	304.331	0.733	20	30		DCEDRM
N#CN=C(Nc1cccc(S(=O)(=O)[O-])n1)c1ccncc1	ZINC001164502498	772669033	/nfs/dbraw/zinc/66/90/33/772669033.db2.gz	AFQSSYRABIPHFQ-UHFFFAOYSA-N	-1	0	303.303	0.872	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(NCC#N)CC1	ZINC001203852480	772927207	/nfs/dbraw/zinc/92/72/07/772927207.db2.gz	DDTCIWDFSFDUJF-UHFFFAOYSA-N	-1	0	320.315	0.548	20	30		DCEDRM
COC(=O)[C@@H]([N-]S(=O)(=O)[C@H](C)C#N)c1ccccc1OC	ZINC001193193841	773021920	/nfs/dbraw/zinc/02/19/20/773021920.db2.gz	OUOLQPXGBWSAMT-SKDRFNHKSA-N	-1	0	312.347	0.741	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC001193288610	773040369	/nfs/dbraw/zinc/04/03/69/773040369.db2.gz	NHOARICAWAXXTH-VIFPVBQESA-N	-1	0	314.323	0.290	20	30		DCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)c2nccn2C)c(C#N)c1	ZINC001193610481	773086223	/nfs/dbraw/zinc/08/62/23/773086223.db2.gz	QNHPVWVBROWOGD-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
N#Cc1cccc(C(=O)N2Cc3ccnn3CC[C@@H]2CO)c1[O-]	ZINC001193646099	773097626	/nfs/dbraw/zinc/09/76/26/773097626.db2.gz	BVIDFGMAKZYVNX-CYBMUJFWSA-N	-1	0	312.329	0.867	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H]2COCCC23OCCO3)c([O-])c1	ZINC001195764860	773470128	/nfs/dbraw/zinc/47/01/28/773470128.db2.gz	SJZVZONEOINQGT-ZDUSSCGKSA-N	-1	0	304.302	0.526	20	30		DCEDRM
C#CCN1CCCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1	ZINC001198214845	773876333	/nfs/dbraw/zinc/87/63/33/773876333.db2.gz	VJBVVXLUVKXHOL-UHFFFAOYSA-N	-1	0	319.327	0.611	20	30		DCEDRM
COC(=O)[C@H](CCO)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001218215642	774216918	/nfs/dbraw/zinc/21/69/18/774216918.db2.gz	ARCOWYPYPHWWEF-QMMMGPOBSA-N	-1	0	320.223	0.980	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2cnc(C#N)cn2)c1	ZINC001201837743	774563264	/nfs/dbraw/zinc/56/32/64/774563264.db2.gz	MCBGHUILZNWUOB-UHFFFAOYSA-N	-1	0	319.302	0.331	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NC[C@H]2CC=CCC2)c(=O)[n-]c1=O	ZINC001221528855	775140776	/nfs/dbraw/zinc/14/07/76/775140776.db2.gz	BTPVIWXHCOUOGC-NSHDSACASA-N	-1	0	317.349	0.476	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cccc(C#N)n1	ZINC001223061198	775458015	/nfs/dbraw/zinc/45/80/15/775458015.db2.gz	FYHIAXNDLQTPTG-CYBMUJFWSA-N	-1	0	312.347	0.929	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])O/C(=N\O)c1ccccn1	ZINC001223976665	775529100	/nfs/dbraw/zinc/52/91/00/775529100.db2.gz	XMAOAZGEECCXEW-JMVABTLVSA-N	-1	0	316.335	0.693	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncnc2n[nH]cc21	ZINC001225565140	775694474	/nfs/dbraw/zinc/69/44/74/775694474.db2.gz	NNFONBCIGYHEAA-MRVPVSSYSA-N	-1	0	314.323	0.191	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc(C(N)=O)n1	ZINC001227833853	776015157	/nfs/dbraw/zinc/01/51/57/776015157.db2.gz	AWFBTKPZSJGMSH-SECBINFHSA-N	-1	0	316.335	0.018	20	30		DCEDRM
Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NCCC#N	ZINC001600289819	1168156443	/nfs/dbraw/zinc/15/64/43/1168156443.db2.gz	REUBIRXBYUMYNL-UHFFFAOYSA-N	-1	0	305.290	0.427	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001602683249	1169158162	/nfs/dbraw/zinc/15/81/62/1169158162.db2.gz	MVMINWIXNWTMKJ-BLLLJJGKSA-N	-1	0	324.377	0.244	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001278368497	945252570	/nfs/dbraw/zinc/25/25/70/945252570.db2.gz	BIUCGIMEUVNUDI-IAQYHMDHSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001268023921	939746890	/nfs/dbraw/zinc/74/68/90/939746890.db2.gz	TXAAKCKWKDMRJX-SNVBAGLBSA-N	-1	0	309.370	0.040	20	30		DCEDRM
C=CCCC(=O)N[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC001269004800	940590682	/nfs/dbraw/zinc/59/06/82/940590682.db2.gz	AFYFJIWWYUSAFA-LBPRGKRZSA-N	-1	0	315.377	0.679	20	30		DCEDRM
O=C([O-])C(O)=CC(=O)c1cccc(Cn2cc(CO)nn2)c1	ZINC001246065035	945332836	/nfs/dbraw/zinc/33/28/36/945332836.db2.gz	ZHAPRAGKGMLJML-ACAGNQJTSA-N	-1	0	303.274	0.528	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)C1CC1	ZINC001269099265	940618104	/nfs/dbraw/zinc/61/81/04/940618104.db2.gz	JYMYPKZHCPFZRH-LLVKDONJSA-N	-1	0	307.398	0.305	20	30		DCEDRM
CN(CCN1CCOC(C)(C)C1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001610939116	970797290	/nfs/dbraw/zinc/79/72/90/970797290.db2.gz	WNBYXJZBDYVYJN-HNNXBMFYSA-N	-1	0	311.382	0.560	20	30		DCEDRM
C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1cnc[nH]c1=O)CC2	ZINC001271630729	941413114	/nfs/dbraw/zinc/41/31/14/941413114.db2.gz	QZPSCUCMOCETHM-LBPRGKRZSA-N	-1	0	316.361	0.727	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C#N)c1	ZINC001600476386	970814295	/nfs/dbraw/zinc/81/42/95/970814295.db2.gz	CWQHGOMJBQNTRE-LLVKDONJSA-N	-1	0	310.331	0.341	20	30		DCEDRM
C#Cc1cncc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)c1	ZINC001482626211	941601745	/nfs/dbraw/zinc/60/17/45/941601745.db2.gz	BEZAJTZFOMRWBT-UHFFFAOYSA-N	-1	0	314.349	0.091	20	30		DCEDRM
CN1C[C@]2(CCN(C(=O)c3ccc([O-])c(C#N)c3)C2)OCC1=O	ZINC001272219513	941820153	/nfs/dbraw/zinc/82/01/53/941820153.db2.gz	NMERZCOCRQADES-INIZCTEOSA-N	-1	0	315.329	0.337	20	30		DCEDRM
Cc1onc(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c1C#N	ZINC001600864762	970874325	/nfs/dbraw/zinc/87/43/25/970874325.db2.gz	WPEZJHGYCNDTMD-CYBMUJFWSA-N	-1	0	314.301	0.604	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H](CO)c2ccccc2)c(C#N)c1=O	ZINC001412869225	942116922	/nfs/dbraw/zinc/11/69/22/942116922.db2.gz	GLNAOPCJPMFOSQ-NSHDSACASA-N	-1	0	300.318	0.133	20	30		DCEDRM
CN1Cc2cc(Oc3[n-]c(=O)n(C)c(=O)c3C#N)ccc2C1=O	ZINC001412875879	942120466	/nfs/dbraw/zinc/12/04/66/942120466.db2.gz	GEZLUCMQCQOPHD-UHFFFAOYSA-N	-1	0	312.285	0.323	20	30		DCEDRM
C=CCCC(=O)NC[C@H]1CCN1Cc1cc(=O)n2[n-]ccc2n1	ZINC001483636131	942604488	/nfs/dbraw/zinc/60/44/88/942604488.db2.gz	JFGIHUXELRIPFJ-CYBMUJFWSA-N	-1	0	315.377	0.679	20	30		DCEDRM
C[C@@H]1CCC[C@]1(C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413309920	942621047	/nfs/dbraw/zinc/62/10/47/942621047.db2.gz	PZXIBDNORJVCMY-BMIGLBTASA-N	-1	0	304.350	0.763	20	30		DCEDRM
N#CCCCN1CC[C@]2(CCCN2C(=O)c2cc(=O)[nH][n-]2)C1=O	ZINC001272285540	942662263	/nfs/dbraw/zinc/66/22/63/942662263.db2.gz	IDLVSXFQFQEYLK-OAHLLOKOSA-N	-1	0	317.349	0.626	20	30		DCEDRM
COC[C@@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)c1nnn[n-]1	ZINC001413553399	943071471	/nfs/dbraw/zinc/07/14/71/943071471.db2.gz	LFQCMHRSCOMTHQ-ZWNOBZJWSA-N	-1	0	314.349	0.754	20	30		DCEDRM
NC(=O)CNC(=S)NN=C(CCC(=O)[O-])Cc1ccccc1	ZINC001611304942	970985861	/nfs/dbraw/zinc/98/58/61/970985861.db2.gz	XMDSOHFIYDLQGD-UHFFFAOYSA-N	-1	0	322.390	0.399	20	30		DCEDRM
C#CCCCCCC(=O)NCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001491232409	943851804	/nfs/dbraw/zinc/85/18/04/943851804.db2.gz	PXFCTNKVSVXOMH-UHFFFAOYSA-N	-1	0	306.366	0.853	20	30		DCEDRM
C=CC[N@@H+](C)CCN(C(=O)c1c[n-]n2c1nccc2=O)C(C)C	ZINC001486376828	944847817	/nfs/dbraw/zinc/84/78/17/944847817.db2.gz	LBMGOPXNAYOGRP-UHFFFAOYSA-N	-1	0	317.393	0.991	20	30		DCEDRM
C#CCN1C(=O)COCC12CN(Cc1c(F)ccc(F)c1[O-])C2	ZINC001273206402	945841400	/nfs/dbraw/zinc/84/14/00/945841400.db2.gz	LEPHPTBURVHQCZ-UHFFFAOYSA-N	-1	0	322.311	0.717	20	30		DCEDRM
N#CCn1cc(NC(=O)C(=O)[N-]OCc2ccc(F)cc2)cn1	ZINC001321010522	946117183	/nfs/dbraw/zinc/11/71/83/946117183.db2.gz	OMUIRIYHMWOTCN-UHFFFAOYSA-N	-1	0	317.280	0.732	20	30		DCEDRM
C=CC[C@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-]	ZINC001321206259	946213813	/nfs/dbraw/zinc/21/38/13/946213813.db2.gz	LQBQVXQWJOXLBR-LBPRGKRZSA-N	-1	0	301.302	0.542	20	30		DCEDRM
C#CCOCCOCc1cn(-c2cncc(C(=O)[O-])c2)nn1	ZINC001254096471	946313648	/nfs/dbraw/zinc/31/36/48/946313648.db2.gz	WYGOLBGVMYLSNE-UHFFFAOYSA-N	-1	0	302.290	0.527	20	30		DCEDRM
C=C[C@@H]1C[C@]1([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001254645616	946417000	/nfs/dbraw/zinc/41/70/00/946417000.db2.gz	FDRAIDIBOIHTTJ-MCYUEQNJSA-N	-1	0	323.418	0.821	20	30		DCEDRM
C#C[C@@H](CCC)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001602672387	971237416	/nfs/dbraw/zinc/23/74/16/971237416.db2.gz	MFVBKMGUQJWJIU-RYUDHWBXSA-N	-1	0	309.366	0.553	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC001602679571	971260994	/nfs/dbraw/zinc/26/09/94/971260994.db2.gz	TXTWAUFHSJNGIK-UHFFFAOYSA-N	-1	0	319.273	0.388	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(CNC(C)=O)cc1	ZINC001602685607	971282342	/nfs/dbraw/zinc/28/23/42/971282342.db2.gz	BEFWQLCMKPZOJV-UHFFFAOYSA-N	-1	0	317.345	0.552	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCC2(CCOCC2)CO1	ZINC001602686145	971286057	/nfs/dbraw/zinc/28/60/57/971286057.db2.gz	RXGLKIOONVUERI-ZDUSSCGKSA-N	-1	0	324.377	0.692	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1c(C#N)cnn1-c1ccccc1	ZINC001259018939	946893374	/nfs/dbraw/zinc/89/33/74/946893374.db2.gz	LKQWIEAKNUSTMV-UHFFFAOYSA-N	-1	0	320.330	0.659	20	30		DCEDRM
C#CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)[O-]	ZINC001602700636	971319460	/nfs/dbraw/zinc/31/94/60/971319460.db2.gz	BVUVOBHGMCXTTN-UHFFFAOYSA-N	-1	0	305.290	0.943	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)C2CC2)n1CC1CC1	ZINC001602700741	971321479	/nfs/dbraw/zinc/32/14/79/971321479.db2.gz	HHMAPMGJFDSYHX-CYBMUJFWSA-N	-1	0	304.350	0.656	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cnc(C#N)nc2)cc1	ZINC001260233613	947089599	/nfs/dbraw/zinc/08/95/99/947089599.db2.gz	DGHCTVGREKBKHF-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
COc1cc(C#N)cc([N-]S(=O)(=O)CS(C)(=O)=O)c1	ZINC001260593024	947122222	/nfs/dbraw/zinc/12/22/22/947122222.db2.gz	ZBLFTRLIXBNYBE-UHFFFAOYSA-N	-1	0	304.349	0.311	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC001602707479	971344572	/nfs/dbraw/zinc/34/45/72/971344572.db2.gz	WYSCVBAGFVXBNF-GRYCIOLGSA-N	-1	0	318.395	0.351	20	30		DCEDRM
Cn1c(C=NNC2=NCCN2)c(Br)cc1C(=O)[O-]	ZINC001261374430	947264548	/nfs/dbraw/zinc/26/45/48/947264548.db2.gz	JGZDYBVVDHDUGC-UHFFFAOYSA-N	-1	0	314.143	0.369	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)C(=O)OCC	ZINC001602718725	971375972	/nfs/dbraw/zinc/37/59/72/971375972.db2.gz	UKKVLMNHWVOUHR-TUAOUCFPSA-N	-1	0	313.350	0.880	20	30		DCEDRM
C=CCCC(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1	ZINC001573328933	947415531	/nfs/dbraw/zinc/41/55/31/947415531.db2.gz	FBDNQSLLBJSJID-SNVBAGLBSA-N	-1	0	316.369	0.304	20	30		DCEDRM
C=CCn1c([C@H](O)CC)nnc1N1CC[C@](COC)(C(=O)[O-])C1	ZINC001602729924	971403909	/nfs/dbraw/zinc/40/39/09/971403909.db2.gz	MJMSDYKUKGQAGX-ABAIWWIYSA-N	-1	0	324.381	0.835	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])nn1	ZINC001602730805	971409314	/nfs/dbraw/zinc/40/93/14/971409314.db2.gz	CKBMQGBKQFMXSI-NSHDSACASA-N	-1	0	301.306	0.285	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](CF)C1	ZINC001263330272	947831802	/nfs/dbraw/zinc/83/18/02/947831802.db2.gz	GFJHABLXFLCSJG-SNVBAGLBSA-N	-1	0	306.345	0.874	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCOCC	ZINC001263330741	947832449	/nfs/dbraw/zinc/83/24/49/947832449.db2.gz	TYVMHOMGTREBRW-UHFFFAOYSA-N	-1	0	306.370	0.551	20	30		DCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1ccc(C(=O)NC)cc1	ZINC001191572193	947986557	/nfs/dbraw/zinc/98/65/57/947986557.db2.gz	UPFWUDUTCSBLJU-UHFFFAOYSA-N	-1	0	316.342	0.618	20	30		DCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC001327098281	948397010	/nfs/dbraw/zinc/39/70/10/948397010.db2.gz	MEYXYLZFUNQYPP-UHFFFAOYSA-N	-1	0	315.376	0.736	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C(F)(F)F)n(C)n1)C(=O)[O-]	ZINC001263631037	948731466	/nfs/dbraw/zinc/73/14/66/948731466.db2.gz	GCGUVUIQZFLWHL-MRVPVSSYSA-N	-1	0	321.255	0.825	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001602786375	971533530	/nfs/dbraw/zinc/53/35/30/971533530.db2.gz	NOZWCQSQHGYVCC-RTXFEEFZSA-N	-1	0	315.329	0.689	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1C[C@H](NCC#N)C1	ZINC001488880119	949343368	/nfs/dbraw/zinc/34/33/68/949343368.db2.gz	MKHXTGBVHDYKSX-KYZUINATSA-N	-1	0	320.315	0.451	20	30		DCEDRM
C#CCN(CC1CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000161814998	949386989	/nfs/dbraw/zinc/38/69/89/949386989.db2.gz	VLUODVDDMUOTSD-UHFFFAOYSA-N	-1	0	300.380	0.373	20	30		DCEDRM
COC(=O)c1cc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)oc1C	ZINC001364535496	949509628	/nfs/dbraw/zinc/50/96/28/949509628.db2.gz	ZFZSCYDFULTXEG-UHFFFAOYSA-N	-1	0	318.289	0.245	20	30		DCEDRM
C[C@H](C[S@@](C)=O)N(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364693716	949766202	/nfs/dbraw/zinc/76/62/02/949766202.db2.gz	LIAZYXGATHIEFY-AOUSDQRYSA-N	-1	0	307.379	0.505	20	30		DCEDRM
CC[C@@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC(C)(C)C	ZINC001413910254	950126303	/nfs/dbraw/zinc/12/63/03/950126303.db2.gz	RGJCTWTUUTWXRS-VIFPVBQESA-N	-1	0	322.365	0.725	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cnc(C(=O)[O-])cn1	ZINC001589719742	950405903	/nfs/dbraw/zinc/40/59/03/950405903.db2.gz	IELNURYQMWGWLZ-SECBINFHSA-N	-1	0	320.305	0.340	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001589729818	950486363	/nfs/dbraw/zinc/48/63/63/950486363.db2.gz	AFOHQSNKPLYVDW-NWDGAFQWSA-N	-1	0	315.395	0.509	20	30		DCEDRM
CC(C)C[C@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365125391	950563413	/nfs/dbraw/zinc/56/34/13/950563413.db2.gz	KUXLGRRGOSEDMX-JTQLQIEISA-N	-1	0	307.354	0.554	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCCN(CC#N)C1	ZINC001490457965	950759716	/nfs/dbraw/zinc/75/97/16/950759716.db2.gz	CNOPLMJPQYOJRR-SECBINFHSA-N	-1	0	320.315	0.548	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c(C#N)c1=O	ZINC001365227048	950770462	/nfs/dbraw/zinc/77/04/62/950770462.db2.gz	ZWONLRLIBGVCQC-QWRGUYRKSA-N	-1	0	306.366	0.179	20	30		DCEDRM
C=C[C@H](CO)NC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC001331279225	951056065	/nfs/dbraw/zinc/05/60/65/951056065.db2.gz	LQCQRNAOVMHXOV-SNVBAGLBSA-N	-1	0	315.333	0.153	20	30		DCEDRM
CCO[C@@H]1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@]12CCCO2	ZINC001591750646	951188045	/nfs/dbraw/zinc/18/80/45/951188045.db2.gz	GUJNRIPGSUHXOK-DRABBMOASA-N	-1	0	310.350	0.834	20	30		DCEDRM
N#CCCN(Cc1cccnc1)C(=O)c1cn(CC(=O)[O-])nn1	ZINC000390411065	951378034	/nfs/dbraw/zinc/37/80/34/951378034.db2.gz	WMQIQYRNQFSNHZ-UHFFFAOYSA-N	-1	0	314.305	0.314	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1	ZINC001331949947	951405485	/nfs/dbraw/zinc/40/54/85/951405485.db2.gz	LQOBQNXAIXWTDG-LLVKDONJSA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=CCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001281436741	951499170	/nfs/dbraw/zinc/49/91/70/951499170.db2.gz	WKCJTIMDEDXWNU-IUCAKERBSA-N	-1	0	323.353	0.262	20	30		DCEDRM
CC1(NCC#N)CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001281519551	951528939	/nfs/dbraw/zinc/52/89/39/951528939.db2.gz	VSJJKBUIERPQER-UHFFFAOYSA-N	-1	0	314.349	0.130	20	30		DCEDRM
Cc1cc(=O)n2[nH]c(NC(=O)CC3(C#N)CCOCC3)nc2n1	ZINC001411423574	952131668	/nfs/dbraw/zinc/13/16/68/952131668.db2.gz	ZLUWVFVJIHPMHF-UHFFFAOYSA-N	-1	0	316.321	0.375	20	30		DCEDRM
N#C[C@H]1CCC[C@H](OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001411439711	952146882	/nfs/dbraw/zinc/14/68/82/952146882.db2.gz	JKSKFCJSGULRNY-UWVGGRQHSA-N	-1	0	301.306	0.697	20	30		DCEDRM
Cc1nc(C#N)c(N2CCC(C(=O)N(C)c3nnn[n-]3)CC2)o1	ZINC001411477043	952179584	/nfs/dbraw/zinc/17/95/84/952179584.db2.gz	IXNVOFMSWJOALE-UHFFFAOYSA-N	-1	0	316.325	0.247	20	30		DCEDRM
COCC#CC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1	ZINC001334587073	952351644	/nfs/dbraw/zinc/35/16/44/952351644.db2.gz	AIGCNAZZGQJFOZ-ZJUUUORDSA-N	-1	0	306.284	0.552	20	30		DCEDRM
CC(C)(NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC001411710774	952399949	/nfs/dbraw/zinc/39/99/49/952399949.db2.gz	YTESYXUPMFSQIC-UHFFFAOYSA-N	-1	0	312.329	0.872	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC([C@@H](C)NC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001411996467	952590893	/nfs/dbraw/zinc/59/08/93/952590893.db2.gz	QZXTWCMFUJUWKD-JGVFFNPUSA-N	-1	0	305.338	0.160	20	30		DCEDRM
COC(=O)C[C@]1(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CCOC1	ZINC001412010187	952598291	/nfs/dbraw/zinc/59/82/91/952598291.db2.gz	RAQICDWHADWSAI-OAHLLOKOSA-N	-1	0	319.317	0.419	20	30		DCEDRM
N#CCC1CN(C(=O)C23CC(NC(=O)c4cc(=O)[nH][n-]4)(C2)C3)C1	ZINC001276025300	952629475	/nfs/dbraw/zinc/62/94/75/952629475.db2.gz	NCAWURVZYBFIOG-UHFFFAOYSA-N	-1	0	315.333	0.140	20	30		DCEDRM
Cc1ccccc1OCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336476026	952705296	/nfs/dbraw/zinc/70/52/96/952705296.db2.gz	DBMPESDXFWBWKY-UHFFFAOYSA-N	-1	0	300.318	0.745	20	30		DCEDRM
C[C@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)CC(F)(F)F	ZINC001412247096	952716821	/nfs/dbraw/zinc/71/68/21/952716821.db2.gz	LTPRWKZIUHANKF-ZETCQYMHSA-N	-1	0	318.255	0.525	20	30		DCEDRM
C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)CS2	ZINC001412293805	952737070	/nfs/dbraw/zinc/73/70/70/952737070.db2.gz	UBAPENWVCKWPGW-RNCFNFMXSA-N	-1	0	316.346	0.546	20	30		DCEDRM
C[C@H]1CCCC[C@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412369517	952766722	/nfs/dbraw/zinc/76/67/22/952766722.db2.gz	CVGRKFONJVPWDF-CMPLNLGQSA-N	-1	0	304.350	0.763	20	30		DCEDRM
Cc1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c(C)s1	ZINC001412370717	952767800	/nfs/dbraw/zinc/76/78/00/952767800.db2.gz	FMBDUJZIEUNYAJ-UHFFFAOYSA-N	-1	0	318.358	0.929	20	30		DCEDRM
Cc1ccc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001412432615	952797010	/nfs/dbraw/zinc/79/70/10/952797010.db2.gz	VWJBXJZTAZHLSF-UHFFFAOYSA-N	-1	0	318.358	0.897	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C	ZINC001412639644	952960345	/nfs/dbraw/zinc/96/03/45/952960345.db2.gz	ODADLIAMDXJHDK-SCZZXKLOSA-N	-1	0	309.347	0.130	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CC3(C2)CC[C@H](C(N)=O)O3)c1[O-]	ZINC001276216008	953012980	/nfs/dbraw/zinc/01/29/80/953012980.db2.gz	VLEHESPFAOBABW-LLVKDONJSA-N	-1	0	301.302	0.123	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C[C@H]1CCCO1	ZINC001339709467	953114252	/nfs/dbraw/zinc/11/42/52/953114252.db2.gz	FVQCYGGWMWOZOA-SNVBAGLBSA-N	-1	0	304.354	0.303	20	30		DCEDRM
C=CCn1ncc2ccc(NC(=O)C(=O)[N-]OCCOC)cc21	ZINC001339856597	953125465	/nfs/dbraw/zinc/12/54/65/953125465.db2.gz	ONZNTDUGLOZSEL-UHFFFAOYSA-N	-1	0	318.333	0.855	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2ccc([S@@](C)=O)cc2)c1=O	ZINC001339942170	953133171	/nfs/dbraw/zinc/13/31/71/953133171.db2.gz	PNTWLLUTGHRYCN-HXUWFJFHSA-N	-1	0	308.388	0.855	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H](C)OC(C)(C)C1	ZINC001340432355	953168841	/nfs/dbraw/zinc/16/88/41/953168841.db2.gz	XYYMQABXEBZLIO-SNVBAGLBSA-N	-1	0	318.381	0.692	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(C2CCOCC2)n1	ZINC001341849713	953254274	/nfs/dbraw/zinc/25/42/74/953254274.db2.gz	HONUFUVEWYJQNZ-GFCCVEGCSA-N	-1	0	320.349	0.320	20	30		DCEDRM
COCCCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1	ZINC001341954963	953260961	/nfs/dbraw/zinc/26/09/61/953260961.db2.gz	MSDKFGFFDWAEPB-ZDUSSCGKSA-N	-1	0	304.350	0.864	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(C2CCOCC2)nn1	ZINC001342612065	953298200	/nfs/dbraw/zinc/29/82/00/953298200.db2.gz	RIPLKOMIFFLKJL-NSHDSACASA-N	-1	0	303.322	0.254	20	30		DCEDRM
C#CCN(CC)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@@H]1CCCO1	ZINC001343205974	953328656	/nfs/dbraw/zinc/32/86/56/953328656.db2.gz	NFFHVLSAAYNURU-NSHDSACASA-N	-1	0	316.365	0.141	20	30		DCEDRM
Cc1c(C([O-])=C(C#N)c2ccncn2)nnn1-c1ccn(C)n1	ZINC001343369783	953342016	/nfs/dbraw/zinc/34/20/16/953342016.db2.gz	VWHVSRKTDYPWTO-SNVBAGLBSA-N	-1	0	308.305	0.589	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(C#N)CC1	ZINC001343691044	953365959	/nfs/dbraw/zinc/36/59/59/953365959.db2.gz	RBHMEXZODJILPO-UHFFFAOYSA-N	-1	0	313.365	0.818	20	30		DCEDRM
C=CCCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O	ZINC001345760697	953718736	/nfs/dbraw/zinc/71/87/36/953718736.db2.gz	ILNSELCEQRRKLY-WDEREUQCSA-N	-1	0	322.365	0.082	20	30		DCEDRM
CCOCCn1cc(C([O-])=C(C#N)C(=O)NCCOC)cn1	ZINC001346121684	953805962	/nfs/dbraw/zinc/80/59/62/953805962.db2.gz	GLQUVDHNHAGDHZ-LBPRGKRZSA-N	-1	0	308.338	0.005	20	30		DCEDRM
C[C@@H](CC(=O)[O-])CC(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC001346541880	953911932	/nfs/dbraw/zinc/91/19/32/953911932.db2.gz	XQZVOMDVHCWYEM-MAEIDHKBSA-N	-1	0	309.322	0.130	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001283461974	954368894	/nfs/dbraw/zinc/36/88/94/954368894.db2.gz	MDVPVWHBKQWQRS-LBPRGKRZSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2cn[nH]n2)C1	ZINC001284141265	954872403	/nfs/dbraw/zinc/87/24/03/954872403.db2.gz	MMCOVIGKGOOFLF-QWHCGFSZSA-N	-1	0	317.393	0.965	20	30		DCEDRM
CC[C@@H](CNC(=O)NCCNc1ncccc1C#N)C(=O)[O-]	ZINC001589537647	955171480	/nfs/dbraw/zinc/17/14/80/955171480.db2.gz	JNXLOFRMEPVGSC-JTQLQIEISA-N	-1	0	305.338	0.775	20	30		DCEDRM
N#CCc1cccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1	ZINC000738424735	955240103	/nfs/dbraw/zinc/24/01/03/955240103.db2.gz	CMDPNGLJILMPNA-UHFFFAOYSA-N	-1	0	301.302	0.122	20	30		DCEDRM
C/C(=C/C(=O)Nc1nc(C#N)c(C#N)[n-]1)CN1CCOCC1	ZINC001300045256	955657851	/nfs/dbraw/zinc/65/78/51/955657851.db2.gz	ZNMLDJBKVOLGIX-POHAHGRESA-N	-1	0	300.322	0.370	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)[C@@H](C#N)C(=O)N(C)Cc1ccccc1	ZINC001593901057	955868407	/nfs/dbraw/zinc/86/84/07/955868407.db2.gz	QNLHZZZSTMVJID-YPMHNXCESA-N	-1	0	304.302	0.453	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)c1ccc(C#N)c(Cl)n1)C(=O)[O-]	ZINC001594589995	956046222	/nfs/dbraw/zinc/04/62/22/956046222.db2.gz	BIJAFFMDBPRFHG-SNVBAGLBSA-N	-1	0	319.708	0.896	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	ZINC001594601705	956139147	/nfs/dbraw/zinc/13/91/47/956139147.db2.gz	GBWPGLBGWMBERZ-FIXISWKDSA-N	-1	0	323.324	0.020	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C	ZINC001593929692	956158464	/nfs/dbraw/zinc/15/84/64/956158464.db2.gz	CNCDCRQHBGLAGL-STQMWFEESA-N	-1	0	300.311	0.074	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1	ZINC001594605777	956172392	/nfs/dbraw/zinc/17/23/92/956172392.db2.gz	IJASLEQSVUHGOV-LLVKDONJSA-N	-1	0	303.318	0.699	20	30		DCEDRM
N#C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1	ZINC001594606472	956183750	/nfs/dbraw/zinc/18/37/50/956183750.db2.gz	XWRARFSZAPTOKP-OLZOCXBDSA-N	-1	0	321.377	0.852	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCCCC1	ZINC001593932227	956196109	/nfs/dbraw/zinc/19/61/09/956196109.db2.gz	ZOORLTDXDWDKCL-ZDUSSCGKSA-N	-1	0	312.322	0.362	20	30		DCEDRM
N#Cc1cc(NC(=O)NCC2(C(=O)[O-])CCOCC2)ccn1	ZINC001594616210	956238762	/nfs/dbraw/zinc/23/87/62/956238762.db2.gz	OQIWVCSWVFMRMQ-UHFFFAOYSA-N	-1	0	304.306	0.956	20	30		DCEDRM
N#Cc1cc(F)cc(C2(C(=O)NCCOCC(=O)[O-])CC2)c1	ZINC001594616458	956241262	/nfs/dbraw/zinc/24/12/62/956241262.db2.gz	UELVJLVAKSPWCR-UHFFFAOYSA-N	-1	0	306.293	0.946	20	30		DCEDRM
C[C@@H]1SCC[C@@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413887034	956260453	/nfs/dbraw/zinc/26/04/53/956260453.db2.gz	VUHGEYXYHUFIKR-WPRPVWTQSA-N	-1	0	323.378	0.014	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN2CC[C@H](C(=O)[O-])C2)nc1	ZINC001594625648	956311385	/nfs/dbraw/zinc/31/13/85/956311385.db2.gz	SOZQLUGEVBMSDN-NSHDSACASA-N	-1	0	309.347	0.133	20	30		DCEDRM
N#Cc1cccc([C@H](NCC(=O)NCC(=O)[O-])C(F)(F)F)c1	ZINC001594626154	956315326	/nfs/dbraw/zinc/31/53/26/956315326.db2.gz	UMHJIZXRXPVVJN-LBPRGKRZSA-N	-1	0	315.251	0.952	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CN[C@@]2(C(=O)[O-])CCOC2)c1	ZINC001594626165	956316279	/nfs/dbraw/zinc/31/62/79/956316279.db2.gz	UYBMNJDMECYTDJ-HNNXBMFYSA-N	-1	0	303.318	0.008	20	30		DCEDRM
N#Cc1cccc(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)c1	ZINC001594628220	956326749	/nfs/dbraw/zinc/32/67/49/956326749.db2.gz	CWEABYFKJPRSLQ-UHFFFAOYSA-N	-1	0	322.342	0.776	20	30		DCEDRM
N#Cc1ccnc(C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)c1	ZINC001594631700	956344266	/nfs/dbraw/zinc/34/42/66/956344266.db2.gz	LJOKFTLPJSUSTJ-UHFFFAOYSA-N	-1	0	313.273	0.630	20	30		DCEDRM
N#Cc1cccnc1-n1cc(NC(=O)c2cc(C(=O)[O-])n[nH]2)cn1	ZINC001594631839	956346587	/nfs/dbraw/zinc/34/65/87/956346587.db2.gz	LPIZHMAXPDVZQN-UHFFFAOYSA-N	-1	0	323.272	0.813	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001594632083	956349003	/nfs/dbraw/zinc/34/90/03/956349003.db2.gz	QHHNQGYWYJGWCH-FZMZJTMJSA-N	-1	0	322.342	0.280	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CCOCC2CCCC2)c1=O	ZINC001594633781	956359032	/nfs/dbraw/zinc/35/90/32/956359032.db2.gz	XGBNMEDYJRRHOK-UHFFFAOYSA-N	-1	0	321.333	0.173	20	30		DCEDRM
C[C@]1(C#N)CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	ZINC001589181240	956521021	/nfs/dbraw/zinc/52/10/21/956521021.db2.gz	CHHMJEAFUUBVBI-HWWQOWPSSA-N	-1	0	319.361	0.318	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001354997083	956575505	/nfs/dbraw/zinc/57/55/05/956575505.db2.gz	VFGQCCQPGBQLTO-JTQLQIEISA-N	-1	0	303.343	0.855	20	30		DCEDRM
C#CCN(C)c1nnc(-c2cccc(N3CC(=O)N=C3[O-])c2)n1C	ZINC001355257639	956623335	/nfs/dbraw/zinc/62/33/35/956623335.db2.gz	CWVDTMIGLXOCES-UHFFFAOYSA-N	-1	0	324.344	0.608	20	30		DCEDRM
O=C([O-])C1CCN(C(=O)C(=O)NCC#Cc2ccccc2)CC1	ZINC001594737478	957086026	/nfs/dbraw/zinc/08/60/26/957086026.db2.gz	RCHKEBTYGKEQTN-UHFFFAOYSA-N	-1	0	314.341	0.478	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)c2cccn(CC(=O)[O-])c2=O)n1	ZINC001594273995	957699354	/nfs/dbraw/zinc/69/93/54/957699354.db2.gz	JHQLBHJZNSQQOH-UHFFFAOYSA-N	-1	0	312.285	0.760	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC001588394493	958034639	/nfs/dbraw/zinc/03/46/39/958034639.db2.gz	FMQSJBVMKXIDLL-UHFFFAOYSA-N	-1	0	303.249	0.182	20	30		DCEDRM
C#CCN(CC#N)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC001588394521	958035377	/nfs/dbraw/zinc/03/53/77/958035377.db2.gz	FUDAMXNSMLKFJB-AWEZNQCLSA-N	-1	0	310.313	0.691	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCN(C(=O)[C@@H](C)C#N)C(C)C)c1[O-]	ZINC001296693433	958037487	/nfs/dbraw/zinc/03/74/87/958037487.db2.gz	WZJOODLCTQPGOU-JTQLQIEISA-N	-1	0	321.381	0.940	20	30		DCEDRM
COCCn1[n-]nnc1=NC(=O)c1cc(C)c(C#N)c(C)c1	ZINC001361527259	958054894	/nfs/dbraw/zinc/05/48/94/958054894.db2.gz	HXHWDZWBWMJQGH-UHFFFAOYSA-N	-1	0	300.322	0.482	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H](NC(N)=O)c1cccc(C)c1	ZINC001588401675	958083561	/nfs/dbraw/zinc/08/35/61/958083561.db2.gz	AJVPKLJHUJOZOC-CYBMUJFWSA-N	-1	0	317.345	0.641	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1nc(-c2ncccn2)no1	ZINC001588402574	958093594	/nfs/dbraw/zinc/09/35/94/958093594.db2.gz	XQXFGRGXSZOJAP-UHFFFAOYSA-N	-1	0	315.289	0.006	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1	ZINC001350313595	958104048	/nfs/dbraw/zinc/10/40/48/958104048.db2.gz	OHGWLMASDXUJNA-SNVBAGLBSA-N	-1	0	319.317	0.522	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cc(C(F)(F)F)nn1C	ZINC001588409369	958127806	/nfs/dbraw/zinc/12/78/06/958127806.db2.gz	WQSDJXSFYQPRRI-UHFFFAOYSA-N	-1	0	318.255	0.668	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2sc(C)cn2c1=O	ZINC001588418354	958177510	/nfs/dbraw/zinc/17/75/10/958177510.db2.gz	BYCLXEBXZOIOBM-UHFFFAOYSA-N	-1	0	305.315	0.224	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ncccn2)n1CC(C)C	ZINC001588426677	958232226	/nfs/dbraw/zinc/23/22/26/958232226.db2.gz	WYUFPFXXTUHBEN-UHFFFAOYSA-N	-1	0	314.349	0.915	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCc3c[nH]nc3C2)n1C	ZINC001588427101	958240262	/nfs/dbraw/zinc/24/02/62/958240262.db2.gz	MFFBGAIOTYRPQX-SNVBAGLBSA-N	-1	0	314.349	0.335	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CC(=O)N(CC)C2)n1CC	ZINC001588427225	958241209	/nfs/dbraw/zinc/24/12/09/958241209.db2.gz	QVONAXLWPKODTJ-LLVKDONJSA-N	-1	0	319.365	0.158	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CC2CC2)n1C[C@H]1CCCO1	ZINC001588427394	958244573	/nfs/dbraw/zinc/24/45/73/958244573.db2.gz	VXHANJZVDKSFDL-CYBMUJFWSA-N	-1	0	318.377	0.934	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001594342807	958308755	/nfs/dbraw/zinc/30/87/55/958308755.db2.gz	WQHMGKZECMHYBA-LBPRGKRZSA-N	-1	0	322.342	0.191	20	30		DCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361792078	958335929	/nfs/dbraw/zinc/33/59/29/958335929.db2.gz	KOEIYPROTQWCGA-UHFFFAOYSA-N	-1	0	323.312	0.351	20	30		DCEDRM
C=C(C)CS(=O)(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588441380	958337324	/nfs/dbraw/zinc/33/73/24/958337324.db2.gz	BUKYJDJBGWRKLQ-AKJDGMEZSA-N	-1	0	303.380	0.894	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C	ZINC001361860132	958415939	/nfs/dbraw/zinc/41/59/39/958415939.db2.gz	BXPIKSKOHOTROB-ZJUUUORDSA-N	-1	0	302.334	0.693	20	30		DCEDRM
C=CCC(CC=C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001588452470	958423315	/nfs/dbraw/zinc/42/33/15/958423315.db2.gz	BGOZICIDGZPJKU-LLVKDONJSA-N	-1	0	301.364	0.465	20	30		DCEDRM
C=CC[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])c1ccncc1	ZINC001588453351	958436621	/nfs/dbraw/zinc/43/66/21/958436621.db2.gz	WFKGREADCCWOOU-GFCCVEGCSA-N	-1	0	305.334	0.748	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1	ZINC001573317569	958452673	/nfs/dbraw/zinc/45/26/73/958452673.db2.gz	DDFXRXFBYXKQBZ-NFAWXSAZSA-N	-1	0	310.394	0.667	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1	ZINC001573317568	958452694	/nfs/dbraw/zinc/45/26/94/958452694.db2.gz	DDFXRXFBYXKQBZ-GUTXKFCHSA-N	-1	0	310.394	0.667	20	30		DCEDRM
CCN(C[C@@H]1CCCO1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361955451	958538022	/nfs/dbraw/zinc/53/80/22/958538022.db2.gz	CFPKASVOHUVBNM-LBPRGKRZSA-N	-1	0	320.349	0.238	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c(=O)[n-]c1=O	ZINC001361978472	958565685	/nfs/dbraw/zinc/56/56/85/958565685.db2.gz	HZLCCOXTBYYVDB-JSGCOSHPSA-N	-1	0	324.340	0.568	20	30		DCEDRM
N#C[C@H]1COCCN1C(=O)c1ncc(Br)cc1[O-]	ZINC001362091814	958720918	/nfs/dbraw/zinc/72/09/18/958720918.db2.gz	QUPNLKBQERBEJC-QMMMGPOBSA-N	-1	0	312.123	0.914	20	30		DCEDRM
CC1(C)CCCC[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362101896	958742775	/nfs/dbraw/zinc/74/27/75/958742775.db2.gz	AZRVKELUSSVHFJ-NSHDSACASA-N	-1	0	304.350	0.906	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC([C@]2(C)COC(=O)N2)CC1	ZINC001588535040	958926471	/nfs/dbraw/zinc/92/64/71/958926471.db2.gz	LZOOCZHDZFTGQC-CABCVRRESA-N	-1	0	323.349	0.728	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1Cc2ccccc2NC(=O)C1	ZINC001588535509	958930088	/nfs/dbraw/zinc/93/00/88/958930088.db2.gz	OTUYHHBIHAXBFN-HNNXBMFYSA-N	-1	0	301.302	0.972	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(Cn2cncn2)CC1	ZINC001588536010	958932152	/nfs/dbraw/zinc/93/21/52/958932152.db2.gz	UIKFTAXZNUUZOF-AWEZNQCLSA-N	-1	0	305.338	0.521	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2ccnc(F)c2)CC1	ZINC001588538200	958938867	/nfs/dbraw/zinc/93/88/67/958938867.db2.gz	FNKSMJVXPPKZDZ-HNNXBMFYSA-N	-1	0	320.324	0.874	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1Cc2ccccc2NC1=O	ZINC001588538281	958939531	/nfs/dbraw/zinc/93/95/31/958939531.db2.gz	GPOQUWJVARNRKE-XHDPSFHLSA-N	-1	0	301.302	0.671	20	30		DCEDRM
CCS[C@H]1CCC[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362219382	958950286	/nfs/dbraw/zinc/95/02/86/958950286.db2.gz	POQKTMKGMVCMNU-QWRGUYRKSA-N	-1	0	322.390	0.611	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CCN1CCOCC1	ZINC001362225065	958960580	/nfs/dbraw/zinc/96/05/80/958960580.db2.gz	XYTHEVGUWUIVPG-UHFFFAOYSA-N	-1	0	304.350	0.372	20	30		DCEDRM
COCC1(C)CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362284721	959069743	/nfs/dbraw/zinc/06/97/43/959069743.db2.gz	KRDZNNNPDCALFN-UHFFFAOYSA-N	-1	0	320.349	0.096	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1)C(=O)[O-]	ZINC000159584236	959122059	/nfs/dbraw/zinc/12/20/59/959122059.db2.gz	ZVZNXKMCYLGZFX-LLVKDONJSA-N	-1	0	311.315	0.228	20	30		DCEDRM
N#CC1(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)CCOCC1	ZINC001362315227	959126005	/nfs/dbraw/zinc/12/60/05/959126005.db2.gz	WFTMFAGEOSVCGO-LLVKDONJSA-N	-1	0	304.354	0.616	20	30		DCEDRM
N#C[C@]1(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CC12CCCC2	ZINC001362435547	959351934	/nfs/dbraw/zinc/35/19/34/959351934.db2.gz	KJLIWEABZGAQKE-AWEZNQCLSA-N	-1	0	316.365	0.484	20	30		DCEDRM
Cc1nc(Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)c(C)s1	ZINC001594457369	959433851	/nfs/dbraw/zinc/43/38/51/959433851.db2.gz	GVVLMJJREKUDBV-UHFFFAOYSA-N	-1	0	320.330	0.088	20	30		DCEDRM
CC(C)(C#N)CCCCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001588607708	959493484	/nfs/dbraw/zinc/49/34/84/959493484.db2.gz	XMCRZAORVQDDFL-LLVKDONJSA-N	-1	0	302.396	0.890	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@]2(CCOC2)C1	ZINC001362538865	959551890	/nfs/dbraw/zinc/55/18/90/959551890.db2.gz	YNVLBTJWLLULGH-OAHLLOKOSA-N	-1	0	303.318	0.599	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2ccc(CO)cc2)c(=O)[n-]c1=O	ZINC001362608773	959688238	/nfs/dbraw/zinc/68/82/38/959688238.db2.gz	ZZCMKYBLMCGXOI-UHFFFAOYSA-N	-1	0	314.301	0.342	20	30		DCEDRM
N#C[C@]1(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CCCOC1	ZINC001362725318	959897765	/nfs/dbraw/zinc/89/77/65/959897765.db2.gz	RFQUXCYEVFZDIX-QMTHXVAHSA-N	-1	0	305.338	0.537	20	30		DCEDRM
COC1(CCNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001362772418	959965955	/nfs/dbraw/zinc/96/59/55/959965955.db2.gz	FSJKPWFADXETCR-UHFFFAOYSA-N	-1	0	320.349	0.286	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2scnc2C2CC2)c(=O)[n-]c1=O	ZINC001362812759	960029681	/nfs/dbraw/zinc/02/96/81/960029681.db2.gz	PNVPLNKGKNKNRB-UHFFFAOYSA-N	-1	0	317.330	0.793	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC1(CO)CCSCC1	ZINC001362836351	960066383	/nfs/dbraw/zinc/06/63/83/960066383.db2.gz	UMCLYRYOHYLIQP-UHFFFAOYSA-N	-1	0	307.375	0.955	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC2CCC=CCC2)c(=O)[n-]c1=O	ZINC001303945012	960072424	/nfs/dbraw/zinc/07/24/24/960072424.db2.gz	JSSNUAQYNZNRFM-UHFFFAOYSA-N	-1	0	302.334	0.683	20	30		DCEDRM
CC(C)(C(=O)Nc1nc(C#N)c(C#N)[n-]1)S(=O)(=O)C1CC1	ZINC001362865255	960106370	/nfs/dbraw/zinc/10/63/70/960106370.db2.gz	OHJSUTLMALSOJZ-UHFFFAOYSA-N	-1	0	307.335	0.447	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@H]2CC3CCC2CC3)c(=O)[n-]c1=O	ZINC001362901787	960152560	/nfs/dbraw/zinc/15/25/60/960152560.db2.gz	YINWCAGADOQMAP-CBINBANVSA-N	-1	0	302.334	0.515	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C	ZINC001362902911	960156253	/nfs/dbraw/zinc/15/62/53/960156253.db2.gz	LNMLKZCVCIFZAS-NEPJUHHUSA-N	-1	0	318.377	0.494	20	30		DCEDRM
C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC001309800854	960210003	/nfs/dbraw/zinc/21/00/03/960210003.db2.gz	AVWWWWVSYYGGEF-MRVPVSSYSA-N	-1	0	320.392	0.535	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC001362948036	960212826	/nfs/dbraw/zinc/21/28/26/960212826.db2.gz	COGXERQAPCMXRO-UHFFFAOYSA-N	-1	0	312.329	0.977	20	30		DCEDRM
COC[C@H](CC(C)(C)C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362965757	960236803	/nfs/dbraw/zinc/23/68/03/960236803.db2.gz	RYFMLMQWIVGWEW-NSHDSACASA-N	-1	0	322.365	0.388	20	30		DCEDRM
CN(CCc1cccc(C#N)c1)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001363091445	960389994	/nfs/dbraw/zinc/38/99/94/960389994.db2.gz	IWZKGBOQCYDQGC-UHFFFAOYSA-N	-1	0	301.306	0.262	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC001363117821	960424152	/nfs/dbraw/zinc/42/41/52/960424152.db2.gz	ZJAWUXTTYGKQME-CYBMUJFWSA-N	-1	0	312.333	0.408	20	30		DCEDRM
CSC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001363127853	960439093	/nfs/dbraw/zinc/43/90/93/960439093.db2.gz	JNZKNAROGACABH-UHFFFAOYSA-N	-1	0	308.363	0.222	20	30		DCEDRM
C[C@@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(C)(F)F	ZINC001363128892	960443996	/nfs/dbraw/zinc/44/39/96/960443996.db2.gz	OAXOQEDWWZPPCS-ZETCQYMHSA-N	-1	0	300.265	0.228	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCC(CO)(CO)C2)cc1C#N	ZINC001363135750	960452108	/nfs/dbraw/zinc/45/21/08/960452108.db2.gz	ICYLCPSSAQVUJZ-UHFFFAOYSA-N	-1	0	323.374	0.198	20	30		DCEDRM
CCC(CC)(NC(=O)[C@H](C)n1cnc(C#N)n1)c1nnn[n-]1	ZINC001363136003	960454759	/nfs/dbraw/zinc/45/47/59/960454759.db2.gz	LXECJBALVIXOQH-QMMMGPOBSA-N	-1	0	303.330	0.056	20	30		DCEDRM
Cc1ccc([C@H]2COCCN2c2[n-]c(=O)n(C)c(=O)c2C#N)o1	ZINC001363142257	960469625	/nfs/dbraw/zinc/46/96/25/960469625.db2.gz	ILUNDIDHMWNAQO-LLVKDONJSA-N	-1	0	316.317	0.425	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NCc2cc(C(=O)[O-])co2)nc1	ZINC001571069142	960867581	/nfs/dbraw/zinc/86/75/81/960867581.db2.gz	FYOGGDSKAYQCJH-UHFFFAOYSA-N	-1	0	300.274	0.973	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1CC(=O)NCC(=O)NCC(=O)[O-]	ZINC001571079198	960973548	/nfs/dbraw/zinc/97/35/48/960973548.db2.gz	AGAZYVPRMHFYBK-UHFFFAOYSA-N	-1	0	303.318	0.035	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]1C(=O)[O-]	ZINC001571079475	960980189	/nfs/dbraw/zinc/98/01/89/960980189.db2.gz	GBSHHMUNKBCHKA-GFCCVEGCSA-N	-1	0	303.318	0.894	20	30		DCEDRM
Cc1ccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)nc1C	ZINC001363395951	961065465	/nfs/dbraw/zinc/06/54/65/961065465.db2.gz	BXNXCKAGMWRJID-UHFFFAOYSA-N	-1	0	313.317	0.149	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588754967	961219219	/nfs/dbraw/zinc/21/92/19/961219219.db2.gz	UJVRTUZCCYDOAV-NWDGAFQWSA-N	-1	0	321.377	0.612	20	30		DCEDRM
Cc1ccccc1CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363484567	961251415	/nfs/dbraw/zinc/25/14/15/961251415.db2.gz	RJLRPGWWJGYIKE-UHFFFAOYSA-N	-1	0	312.329	0.488	20	30		DCEDRM
CSCC[C@H](NC(=O)c1cc(C)c(C#N)cn1)c1nnn[n-]1	ZINC001363530487	961375780	/nfs/dbraw/zinc/37/57/80/961375780.db2.gz	NEXYBPFAONQDJA-JTQLQIEISA-N	-1	0	317.378	0.999	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C1(N2CCOCC2)CCC1)C(=O)[O-]	ZINC001332146600	961480945	/nfs/dbraw/zinc/48/09/45/961480945.db2.gz	ATYRFKVHDOEAOI-GFCCVEGCSA-N	-1	0	312.366	0.013	20	30		DCEDRM
C[C@H](C#N)C(=O)N1C[C@H]2CN(c3ccnc(C(=O)[O-])n3)C[C@H]2C1	ZINC001571125454	961488105	/nfs/dbraw/zinc/48/81/05/961488105.db2.gz	GVIFEQRIJHHXFU-MXWKQRLJSA-N	-1	0	315.333	0.229	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001571125850	961496222	/nfs/dbraw/zinc/49/62/22/961496222.db2.gz	ISNFZHMQJXYHSP-ZIQFBCGOSA-N	-1	0	315.395	0.554	20	30		DCEDRM
N#Cc1ccc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)s1	ZINC001571143866	961698876	/nfs/dbraw/zinc/69/88/76/961698876.db2.gz	AKATWDBNDQBWKJ-OLZOCXBDSA-N	-1	0	319.386	0.985	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001574013336	961929342	/nfs/dbraw/zinc/92/93/42/961929342.db2.gz	WXXGQESERWLVHM-DTORHVGOSA-N	-1	0	320.353	0.301	20	30		DCEDRM
CC[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H](CC)CO1	ZINC001363871623	962055072	/nfs/dbraw/zinc/05/50/72/962055072.db2.gz	IOSOKIYZVFENEK-RYUDHWBXSA-N	-1	0	320.349	0.237	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)c(=O)[n-]c1=O	ZINC001364019082	962301842	/nfs/dbraw/zinc/30/18/42/962301842.db2.gz	FRFBNNZXFZGGFR-JBLDHEPKSA-N	-1	0	302.334	0.373	20	30		DCEDRM
Cc1cnc(NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001364070794	962416352	/nfs/dbraw/zinc/41/63/52/962416352.db2.gz	XZPNPEMPOSMGQS-UHFFFAOYSA-N	-1	0	320.334	0.407	20	30		DCEDRM
CCCc1nc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)co1	ZINC001364110026	962489483	/nfs/dbraw/zinc/48/94/83/962489483.db2.gz	VXIOTTLINVBMFA-UHFFFAOYSA-N	-1	0	317.305	0.191	20	30		DCEDRM
N#Cc1ccc(N2CCN(c3cnc(C(=O)[O-])cn3)CC2)cn1	ZINC000263379716	962537875	/nfs/dbraw/zinc/53/78/75/962537875.db2.gz	CDPKBUAMSWZKHR-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC(Oc3ccc(C#N)cc3)C2)c(C#N)c1=O	ZINC001364167106	962596910	/nfs/dbraw/zinc/59/69/10/962596910.db2.gz	CGHYXWBYHPHARG-UHFFFAOYSA-N	-1	0	323.312	0.085	20	30		DCEDRM
COc1cc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)ccc1O	ZINC001364167493	962599825	/nfs/dbraw/zinc/59/98/25/962599825.db2.gz	FIEJHWZMQPDBEG-UHFFFAOYSA-N	-1	0	316.317	0.314	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc2ccn(C)c21)C(=O)[O-]	ZINC001573302575	962657406	/nfs/dbraw/zinc/65/74/06/962657406.db2.gz	CMKPSWLKZJQYTN-NSHDSACASA-N	-1	0	306.343	0.933	20	30		DCEDRM
Cn1c(=O)[n-]c(N2C[C@H](O)C[C@@H]2c2ccccc2)c(C#N)c1=O	ZINC001364203652	962664523	/nfs/dbraw/zinc/66/45/23/962664523.db2.gz	OHRXCBFAIKTBAT-DGCLKSJQSA-N	-1	0	312.329	0.258	20	30		DCEDRM
C#CCC1(C(=O)N(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001573303773	962681665	/nfs/dbraw/zinc/68/16/65/962681665.db2.gz	SLFHYUQHRZTIIK-NWDGAFQWSA-N	-1	0	306.362	0.475	20	30		DCEDRM
COc1cccc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001364221222	962696269	/nfs/dbraw/zinc/69/62/69/962696269.db2.gz	RHXKUPORHNNTFV-UHFFFAOYSA-N	-1	0	301.306	0.003	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	ZINC001354246892	962729434	/nfs/dbraw/zinc/72/94/34/962729434.db2.gz	JKLJFVYLHYFQAO-KWCYVHTRSA-N	-1	0	320.389	0.980	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C[C@H]21	ZINC001573324550	962787328	/nfs/dbraw/zinc/78/73/28/962787328.db2.gz	UVQWHCLUPYMZFF-ZXPJVPCYSA-N	-1	0	306.362	0.636	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N[C@H](C)CN(C)C(=O)CNC(=O)[O-]	ZINC001573338899	962883438	/nfs/dbraw/zinc/88/34/38/962883438.db2.gz	KHUGEZJPTSVTKE-MRVPVSSYSA-N	-1	0	319.789	0.996	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-]	ZINC000287120838	962890138	/nfs/dbraw/zinc/89/01/38/962890138.db2.gz	BIGADXOKFHVSSI-SSDOTTSWSA-N	-1	0	322.264	0.855	20	30		DCEDRM
C=C(Cl)CN1C[C@@H]2CCCN(C(=O)CNC(=O)[O-])[C@@H]2C1	ZINC001573343912	962909633	/nfs/dbraw/zinc/90/96/33/962909633.db2.gz	MBFAQEIEKSHDNK-WDEREUQCSA-N	-1	0	301.774	0.929	20	30		DCEDRM
C=C(Cl)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573344138	962913181	/nfs/dbraw/zinc/91/31/81/962913181.db2.gz	PHWYTAKDXOVGKA-MNOVXSKESA-N	-1	0	316.785	0.403	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)C[C@@H](OC)c1ccccc1)C(=O)[O-]	ZINC000296822060	962917598	/nfs/dbraw/zinc/91/75/98/962917598.db2.gz	CVDLFBXEVZVLSC-CHWSQXEVSA-N	-1	0	311.359	0.770	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@@H]2C[C@H]3CCC[C@H]32)c(=O)[n-]c1=O	ZINC001364347243	962935442	/nfs/dbraw/zinc/93/54/42/962935442.db2.gz	REWCRWRNFFUSSB-YUSALJHKSA-N	-1	0	317.349	0.308	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)C[C@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001573347463	962947287	/nfs/dbraw/zinc/94/72/87/962947287.db2.gz	KVIIPUYKUWHHPT-BONVTDFDSA-N	-1	0	322.365	0.761	20	30		DCEDRM
C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1C(=O)CNC(=O)[O-]	ZINC001573348704	962960317	/nfs/dbraw/zinc/96/03/17/962960317.db2.gz	ZRRYKLNUFJKHAE-NSHDSACASA-N	-1	0	311.382	0.916	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C[C@@H]2C1	ZINC001573353249	962998897	/nfs/dbraw/zinc/99/88/97/962998897.db2.gz	SQMRYKHXLAYKLO-QNWHQSFQSA-N	-1	0	306.362	0.590	20	30		DCEDRM
C=CCCN1CC(OC2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)C1	ZINC001573360016	963030975	/nfs/dbraw/zinc/03/09/75/963030975.db2.gz	CSEKTLYBEPTLMY-GJZGRUSLSA-N	-1	0	322.405	0.975	20	30		DCEDRM
C=CCOCC(=O)N1C[C@H](C)[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001573368644	963084742	/nfs/dbraw/zinc/08/47/42/963084742.db2.gz	ISCGTLMZAJPMAX-CMPLNLGQSA-N	-1	0	320.349	0.636	20	30		DCEDRM
C=CCNC(=O)Cn1c(CC)nnc1N1CCC(C(=O)[O-])CC1	ZINC001573368716	963086641	/nfs/dbraw/zinc/08/66/41/963086641.db2.gz	PQMUUAALSWFGFL-UHFFFAOYSA-N	-1	0	321.381	0.444	20	30		DCEDRM
C=CCN(CCOC)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001573369053	963091333	/nfs/dbraw/zinc/09/13/33/963091333.db2.gz	WEBZOQDWZRAVNO-UHFFFAOYSA-N	-1	0	300.336	0.603	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccc(C)cc1C#N)C(=O)[O-]	ZINC001573369136	963092403	/nfs/dbraw/zinc/09/24/03/963092403.db2.gz	OZVDFCASGBVCHP-LBPRGKRZSA-N	-1	0	324.358	0.801	20	30		DCEDRM
CC(=O)N1CCC[C@@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001573409303	963152643	/nfs/dbraw/zinc/15/26/43/963152643.db2.gz	DDBLNRKSAHQOMQ-GFCCVEGCSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1OC	ZINC000313413700	963640284	/nfs/dbraw/zinc/64/02/84/963640284.db2.gz	WUDCXINETFUYRO-UHFFFAOYSA-N	-1	0	308.315	0.541	20	30		DCEDRM
C[C@](CO)(NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000313502921	963649326	/nfs/dbraw/zinc/64/93/26/963649326.db2.gz	IPGKZKFOTACXDW-LLVKDONJSA-N	-1	0	318.738	0.326	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001588435781	964026777	/nfs/dbraw/zinc/02/67/77/964026777.db2.gz	ZETCJIWYAHORAN-JTQLQIEISA-N	-1	0	315.322	0.577	20	30		DCEDRM
C#CCCCCC(=O)NCCN(C)c1ncc(C(=O)[O-])cn1	ZINC001588440198	964035003	/nfs/dbraw/zinc/03/50/03/964035003.db2.gz	NVDZMCMKKAZOBB-UHFFFAOYSA-N	-1	0	304.350	0.921	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C2CC2)N(C)C(=O)[C@H](C)C#N)c1[O-]	ZINC001381768167	966669383	/nfs/dbraw/zinc/66/93/83/966669383.db2.gz	ASZOKTADKAOTIG-KCJUWKMLSA-N	-1	0	319.365	0.550	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(OC)cc1OC	ZINC000316207233	967978657	/nfs/dbraw/zinc/97/86/57/967978657.db2.gz	SFTAVJORHARZOS-UHFFFAOYSA-N	-1	0	306.318	0.933	20	30		DCEDRM
NS(=O)(=O)c1ccccc1N=NCc1cccn1CC(=O)[O-]	ZINC001608263721	970403655	/nfs/dbraw/zinc/40/36/55/970403655.db2.gz	ANNBBYPXLSMRRP-UHFFFAOYSA-N	-1	0	322.346	0.666	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001609267562	970421210	/nfs/dbraw/zinc/42/12/10/970421210.db2.gz	YMOODOXZTAVAGU-SECBINFHSA-N	-1	0	310.281	0.780	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(Oc2cnccn2)CC1	ZINC001609691242	970447925	/nfs/dbraw/zinc/44/79/25/970447925.db2.gz	GDDCNNSEHCZEIY-OAHLLOKOSA-N	-1	0	318.333	0.851	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)O[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O	ZINC001609693057	970453376	/nfs/dbraw/zinc/45/33/76/970453376.db2.gz	RQTZNNQIDGWWEW-JNIYBQFBSA-N	-1	0	308.334	0.981	20	30		DCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000320075928	970610372	/nfs/dbraw/zinc/61/03/72/970610372.db2.gz	ATZILAVJZJDXPP-ZETCQYMHSA-N	-1	0	306.365	0.447	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H](C(=O)[O-])C1CC1	ZINC001604174940	972592987	/nfs/dbraw/zinc/59/29/87/972592987.db2.gz	MZFHEEXDPDFKEO-LLVKDONJSA-N	-1	0	305.338	0.365	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001605102243	972759490	/nfs/dbraw/zinc/75/94/90/972759490.db2.gz	QMIVIFPBRQUFLG-JTQLQIEISA-N	-1	0	303.274	0.104	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(C(=O)NCCC#N)C[C@@H]2C(=O)[O-]	ZINC001604283982	972871469	/nfs/dbraw/zinc/87/14/69/972871469.db2.gz	MSABYRPSOSYBNC-OPASDULOSA-N	-1	0	309.322	0.195	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(C#N)c(OC)c1	ZINC001604306631	972962462	/nfs/dbraw/zinc/96/24/62/972962462.db2.gz	STKGVMVSARNZGL-UHFFFAOYSA-N	-1	0	320.301	0.657	20	30		DCEDRM
C[C@@H]1CCCC[C@H]1Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001603404652	973054334	/nfs/dbraw/zinc/05/43/34/973054334.db2.gz	BNJYWGSJVIOLLH-MNOVXSKESA-N	-1	0	305.334	0.793	20	30		DCEDRM
COC(=O)[C@]12CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H]1COCC2	ZINC001604360757	973054370	/nfs/dbraw/zinc/05/43/70/973054370.db2.gz	BVINKKHINHZWFY-NZVBXONLSA-N	-1	0	324.333	0.029	20	30		DCEDRM
C[C@H]1CCCC[C@H]1Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001603404653	973054966	/nfs/dbraw/zinc/05/49/66/973054966.db2.gz	BNJYWGSJVIOLLH-QWRGUYRKSA-N	-1	0	305.334	0.793	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC001604419687	973173664	/nfs/dbraw/zinc/17/36/64/973173664.db2.gz	BBAOKWJNTNYQPP-CYBMUJFWSA-N	-1	0	306.318	0.633	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)NCc1ccc(OCC#N)cc1	ZINC001605539479	973740913	/nfs/dbraw/zinc/74/09/13/973740913.db2.gz	VYRSYLLBVIXZPR-UHFFFAOYSA-N	-1	0	314.301	0.951	20	30		DCEDRM
N#CCN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C1CCCC1	ZINC001605586318	973880374	/nfs/dbraw/zinc/88/03/74/973880374.db2.gz	SUJLNXGUKMKAIA-LBPRGKRZSA-N	-1	0	307.350	0.604	20	30		DCEDRM
N#C[C@]12CN(CCC3(C(=O)[O-])CCC3)C[C@H]1CS(=O)(=O)C2	ZINC001605590719	973884961	/nfs/dbraw/zinc/88/49/61/973884961.db2.gz	LDXJFCBYYGBDMD-SMDDNHRTSA-N	-1	0	312.391	0.502	20	30		DCEDRM
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)C(=O)[O-]	ZINC001605591250	973887698	/nfs/dbraw/zinc/88/76/98/973887698.db2.gz	WFOAAWLESYKWES-UHFFFAOYSA-N	-1	0	313.317	0.460	20	30		DCEDRM
N#Cc1cc(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cs1	ZINC001605592076	973893387	/nfs/dbraw/zinc/89/33/87/973893387.db2.gz	SFXFITYJUJWRPI-SECBINFHSA-N	-1	0	300.361	0.856	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N([C@@H](C)C(=O)[O-])C1CC1	ZINC001603724198	974159113	/nfs/dbraw/zinc/15/91/13/974159113.db2.gz	OAUFOFPASDEILO-ZJUUUORDSA-N	-1	0	303.384	0.650	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)(C)C	ZINC000702258393	977073957	/nfs/dbraw/zinc/07/39/57/977073957.db2.gz	YHWFLVOQTDPCLI-LLVKDONJSA-N	-1	0	302.396	0.665	20	30		DCEDRM
C[C@@](CCF)([NH2+]Cc1cc(=O)n2[n-]cc(C#N)c2n1)C(=O)[O-]	ZINC001592506309	978318240	/nfs/dbraw/zinc/31/82/40/978318240.db2.gz	KXKALRMJTAAFEW-ZDUSSCGKSA-N	-1	0	307.285	0.599	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001522973717	1014499953	/nfs/dbraw/zinc/49/99/53/1014499953.db2.gz	CJECOUNUWKUHJD-UHFFFAOYSA-N	-1	0	323.353	0.121	20	30		DCEDRM
CCCC[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H](C)C#N	ZINC001595633230	981867665	/nfs/dbraw/zinc/86/76/65/981867665.db2.gz	FYTNMOHFZZJKPE-GHMZBOCLSA-N	-1	0	319.365	0.843	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC2CC(F)(F)C2)c(=O)[n-]c1=O	ZINC001450109897	1014919059	/nfs/dbraw/zinc/91/90/59/1014919059.db2.gz	GCJFMZDPLICGBW-UHFFFAOYSA-N	-1	0	312.276	0.372	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])nc1	ZINC001574249134	983202819	/nfs/dbraw/zinc/20/28/19/983202819.db2.gz	FTQQRMRWYVGAJH-VXGBXAGGSA-N	-1	0	318.333	0.504	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCSC[C@@H]2C(=O)[O-])nc1	ZINC001574250176	983203641	/nfs/dbraw/zinc/20/36/41/983203641.db2.gz	TVHJUFKBKCDWLU-SNVBAGLBSA-N	-1	0	306.347	0.394	20	30		DCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OCC	ZINC001588368224	983304581	/nfs/dbraw/zinc/30/45/81/983304581.db2.gz	IMMDNBKOPHQGGG-VIFPVBQESA-N	-1	0	304.302	0.860	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-])[C@H]1CCCO1	ZINC001588370797	983322262	/nfs/dbraw/zinc/32/22/62/983322262.db2.gz	NKBUZTXXVKOIST-MWLCHTKSSA-N	-1	0	319.317	0.257	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1ccc(Cl)cc1	ZINC001588372033	983327331	/nfs/dbraw/zinc/32/73/31/983327331.db2.gz	BTTUDFOAFVKZDG-LLVKDONJSA-N	-1	0	308.721	0.855	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2OC)C1	ZINC001588375556	983345763	/nfs/dbraw/zinc/34/57/63/983345763.db2.gz	BMODBTWKVWUIQC-UHFFFAOYSA-N	-1	0	320.276	0.516	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C1CCOCC1	ZINC001588375942	983348678	/nfs/dbraw/zinc/34/86/78/983348678.db2.gz	AEUWBXWFLHBGNO-NSHDSACASA-N	-1	0	313.331	0.685	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001588393575	983398774	/nfs/dbraw/zinc/39/87/74/983398774.db2.gz	HXUINKXIMURHJU-GFCCVEGCSA-N	-1	0	318.329	0.786	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001588394729	983403659	/nfs/dbraw/zinc/40/36/59/983403659.db2.gz	NTNJGEIHBQGXJL-VIFPVBQESA-N	-1	0	306.322	0.687	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1cc(OC)ccc1C(=O)[O-]	ZINC001588395784	983406347	/nfs/dbraw/zinc/40/63/47/983406347.db2.gz	TZTYSYBCFYXADQ-VIFPVBQESA-N	-1	0	313.331	0.056	20	30		DCEDRM
C#CC[C@H](NC(=O)C(C)(C)NC(=O)COC(C)(C)C)C(=O)[O-]	ZINC001588396016	983407398	/nfs/dbraw/zinc/40/73/98/983407398.db2.gz	WEHQILSAGKWYIQ-JTQLQIEISA-N	-1	0	312.366	0.289	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCCNC(=O)c1cccnc1)C(=O)[O-]	ZINC001588405190	983420450	/nfs/dbraw/zinc/42/04/50/983420450.db2.gz	DVODMRGMLUXUOQ-GFCCVEGCSA-N	-1	0	303.318	0.184	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1Cc2cc(F)ccc2NC1=O)C(=O)[O-]	ZINC001588405637	983422261	/nfs/dbraw/zinc/42/22/61/983422261.db2.gz	HWGAMMUSVTZJNP-PWSUYJOCSA-N	-1	0	304.277	0.529	20	30		DCEDRM
C#CC[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)C(=O)[O-]	ZINC001588413711	983431835	/nfs/dbraw/zinc/43/18/35/983431835.db2.gz	GQROCCNUQHNCMY-QMMMGPOBSA-N	-1	0	313.107	0.756	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cnnn1-c1cccc(F)c1)C(=O)[O-]	ZINC001588422453	983446268	/nfs/dbraw/zinc/44/62/68/983446268.db2.gz	YLQNKBYTHCWZAM-NSHDSACASA-N	-1	0	302.265	0.613	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)CC[C@H]1CC1(Cl)Cl)C(=O)[O-]	ZINC001588423299	983451870	/nfs/dbraw/zinc/45/18/70/983451870.db2.gz	CLEYYULTLKGIRP-JGVFFNPUSA-N	-1	0	314.190	0.966	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588434778	983472294	/nfs/dbraw/zinc/47/22/94/983472294.db2.gz	STJLTFGSAWUBAA-MNOVXSKESA-N	-1	0	320.349	0.490	20	30		DCEDRM
C#CCCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)CC1	ZINC001588453819	983477964	/nfs/dbraw/zinc/47/79/64/983477964.db2.gz	WOBGUQXAPAKTRX-UHFFFAOYSA-N	-1	0	323.374	0.109	20	30		DCEDRM
C#CCN(CC(=O)N1CC(C)(C(=O)[O-])C1)C(=O)OC(C)(C)C	ZINC001588466121	983498262	/nfs/dbraw/zinc/49/82/62/983498262.db2.gz	WDQAUGSDOOJPNG-UHFFFAOYSA-N	-1	0	310.350	0.790	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)c2c[nH]c(C(=O)[O-])c2)CC1	ZINC001588479497	983520268	/nfs/dbraw/zinc/52/02/68/983520268.db2.gz	PZYXTJUBEPSXKL-UHFFFAOYSA-N	-1	0	303.318	0.315	20	30		DCEDRM
C#Cc1ccc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)nc1	ZINC001588517026	983563285	/nfs/dbraw/zinc/56/32/85/983563285.db2.gz	IOWYRCCLXZERPU-INIZCTEOSA-N	-1	0	301.346	0.429	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c1	ZINC001588523210	983571640	/nfs/dbraw/zinc/57/16/40/983571640.db2.gz	AFSJVPKJEPHLGZ-JQWIXIFHSA-N	-1	0	304.277	0.630	20	30		DCEDRM
C=C(Br)COC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588529411	983581458	/nfs/dbraw/zinc/58/14/58/983581458.db2.gz	YHHPFUVBQAQXJZ-QMMMGPOBSA-N	-1	0	320.139	0.761	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1Cn1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588536893	983596310	/nfs/dbraw/zinc/59/63/10/983596310.db2.gz	VKCFJTRKCTYOMU-KIJLLGNVSA-N	-1	0	319.365	0.421	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)[O-]	ZINC001588541080	983606273	/nfs/dbraw/zinc/60/62/73/983606273.db2.gz	RTVRAOKMLOPTMJ-GHMZBOCLSA-N	-1	0	303.380	0.737	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1cn2c(n1)C[C@H](OC)CC2)C(=O)[O-]	ZINC001588547399	983619924	/nfs/dbraw/zinc/61/99/24/983619924.db2.gz	AQXFUHYTVHYOLR-MNOVXSKESA-N	-1	0	307.350	0.994	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(CC)C(C)(C)C(=O)[O-]	ZINC001596231504	983626871	/nfs/dbraw/zinc/62/68/71/983626871.db2.gz	OPTFYIBDFPLZSL-SNVBAGLBSA-N	-1	0	305.400	0.898	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OC	ZINC001588552929	983627035	/nfs/dbraw/zinc/62/70/35/983627035.db2.gz	FXMGZQJKIJSIAF-SECBINFHSA-N	-1	0	307.368	0.524	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-]	ZINC001588555810	983637403	/nfs/dbraw/zinc/63/74/03/983637403.db2.gz	SVRLIEJAZBPUKA-SSDOTTSWSA-N	-1	0	307.759	0.771	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588569912	983650166	/nfs/dbraw/zinc/65/01/66/983650166.db2.gz	OBFOBWXSYALHOU-UHFFFAOYSA-N	-1	0	307.306	0.427	20	30		DCEDRM
C=C(C)Cn1c([C@H](O)CC)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588591086	983671715	/nfs/dbraw/zinc/67/17/15/983671715.db2.gz	DXINNGPWATYCCN-MNOVXSKESA-N	-1	0	310.354	0.587	20	30		DCEDRM
C=C(C)Cn1c(N2C[C@H](C)O[C@H](C(=O)[O-])C2)nnc1C(C)(C)O	ZINC001588598473	983684213	/nfs/dbraw/zinc/68/42/13/983684213.db2.gz	DEPHHWPCOGWFRB-QWRGUYRKSA-N	-1	0	324.381	0.760	20	30		DCEDRM
C=C(C)Cn1c([C@H](O)CC)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588599023	983687800	/nfs/dbraw/zinc/68/78/00/983687800.db2.gz	FADORGCEPMMVBX-IAQYHMDHSA-N	-1	0	324.381	0.978	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(c2nc(C)ns2)CC1	ZINC001588615600	983713094	/nfs/dbraw/zinc/71/30/94/983713094.db2.gz	ZJHXDIKCJCUVFS-UHFFFAOYSA-N	-1	0	310.379	0.916	20	30		DCEDRM
CCN(CCC#N)C(=O)CNC(C)(C)c1nocc1C(=O)[O-]	ZINC001596299487	983724127	/nfs/dbraw/zinc/72/41/27/983724127.db2.gz	KGMMNYNQCDSCFK-UHFFFAOYSA-N	-1	0	308.338	0.960	20	30		DCEDRM
CCN(CCC#N)C(=O)CN[C@@H](C(=O)[O-])c1cccc(O)c1	ZINC001596299536	983724730	/nfs/dbraw/zinc/72/47/30/983724730.db2.gz	NMWGFSRTTBNPIE-CQSZACIVSA-N	-1	0	305.334	0.870	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)c1ccnc(C(=O)[O-])c1	ZINC001596299707	983725935	/nfs/dbraw/zinc/72/59/35/983725935.db2.gz	WXTJYQWCRJXYFU-UHFFFAOYSA-N	-1	0	305.290	0.699	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)nc1	ZINC001588629670	983738633	/nfs/dbraw/zinc/73/86/33/983738633.db2.gz	HXMBEEUPMMVHBI-UHFFFAOYSA-N	-1	0	319.361	0.955	20	30		DCEDRM
C=C[C@@H](OC(=O)c1sccc1S(=O)(=O)N(C)C)C(=O)[O-]	ZINC001588712459	983944272	/nfs/dbraw/zinc/94/42/72/983944272.db2.gz	LSLBPSLKWRKIRK-SSDOTTSWSA-N	-1	0	319.360	0.794	20	30		DCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588719868	983963234	/nfs/dbraw/zinc/96/32/34/983963234.db2.gz	ZVPKNESOPUCJHM-QWHCGFSZSA-N	-1	0	324.377	0.238	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001588743936	984040048	/nfs/dbraw/zinc/04/00/48/984040048.db2.gz	FSGIOSABKPTDQI-LLVKDONJSA-N	-1	0	305.396	0.878	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001588744226	984041198	/nfs/dbraw/zinc/04/11/98/984041198.db2.gz	ITYLIQWXTRRVBL-LURJTMIESA-N	-1	0	309.727	0.847	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1scc(C)c1C(=O)[O-]	ZINC001588745444	984051936	/nfs/dbraw/zinc/05/19/36/984051936.db2.gz	ZKGAFJNOZJFGOX-QMMMGPOBSA-N	-1	0	312.347	0.746	20	30		DCEDRM
C=CC[C@H](OC(=O)CNS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC001588753786	984088921	/nfs/dbraw/zinc/08/89/21/984088921.db2.gz	NIBCDHXCHOPDKA-QMMMGPOBSA-N	-1	0	319.360	0.599	20	30		DCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)Nc2nn(C)cc2C(=O)[O-])C1	ZINC001588772695	984144795	/nfs/dbraw/zinc/14/47/95/984144795.db2.gz	LYXLJVUGJOIJLP-SECBINFHSA-N	-1	0	306.322	0.481	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C(=O)OC	ZINC001588797984	984232809	/nfs/dbraw/zinc/23/28/09/984232809.db2.gz	QHRRSOVGHLDCKR-NXEZZACHSA-N	-1	0	307.368	0.524	20	30		DCEDRM
C=CCCSCCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC001588814906	984273913	/nfs/dbraw/zinc/27/39/13/984273913.db2.gz	XVUXAAHANFKRDP-NSHDSACASA-N	-1	0	314.407	0.878	20	30		DCEDRM
C=CCCn1cc(Cn2cc(CO[C@H](C)C(=O)[O-])nn2)nn1	ZINC001588820063	984281602	/nfs/dbraw/zinc/28/16/02/984281602.db2.gz	PAIHUCCYIIJSHL-SNVBAGLBSA-N	-1	0	306.326	0.484	20	30		DCEDRM
C=CCN1C(=O)C(=O)N(CC(=O)c2cc(C(=O)[O-])[nH]c2C)C1=O	ZINC001588832836	984326717	/nfs/dbraw/zinc/32/67/17/984326717.db2.gz	YUMJOHRUMKUCKD-UHFFFAOYSA-N	-1	0	319.273	0.181	20	30		DCEDRM
C=CCNC(=O)CN1CCN([C@H](C(=O)[O-])c2ccsc2)CC1	ZINC001588838851	984342124	/nfs/dbraw/zinc/34/21/24/984342124.db2.gz	KHPJMJACKWZJLT-AWEZNQCLSA-N	-1	0	323.418	0.794	20	30		DCEDRM
C=CCN1CCOC2(CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)C1	ZINC001588839268	984346430	/nfs/dbraw/zinc/34/64/30/984346430.db2.gz	QHODRIKUJWURPD-STQMWFEESA-N	-1	0	308.378	0.587	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001588843817	984354368	/nfs/dbraw/zinc/35/43/68/984354368.db2.gz	HKIWUHCNGBHPLW-MGCOHNPYSA-N	-1	0	312.322	0.432	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2cc(C(=O)[O-])n(C)c2)CC1	ZINC001588844681	984359194	/nfs/dbraw/zinc/35/91/94/984359194.db2.gz	OVMSKZVRZJDAOY-UHFFFAOYSA-N	-1	0	320.393	0.143	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC001588853744	984385691	/nfs/dbraw/zinc/38/56/91/984385691.db2.gz	GZGZLVXUJINLSQ-CYBMUJFWSA-N	-1	0	303.318	0.742	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCc1nnc(C(C)C)o1)C(=O)[O-]	ZINC001588853790	984386436	/nfs/dbraw/zinc/38/64/36/984386436.db2.gz	INLIJCUWKDPXGY-JTQLQIEISA-N	-1	0	311.338	0.898	20	30		DCEDRM
C=CCOC[C@H](NC(=O)/C=C\c1ccc(C(N)=O)o1)C(=O)[O-]	ZINC001588854276	984389281	/nfs/dbraw/zinc/38/92/81/984389281.db2.gz	UCFAXTVJTUNNLU-OAQKJQOQSA-N	-1	0	308.290	0.164	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CC(c2cccnc2)=NO1)C(=O)[O-]	ZINC001588855672	984394388	/nfs/dbraw/zinc/39/43/88/984394388.db2.gz	NPDUNJVHPMQPHH-QWHCGFSZSA-N	-1	0	319.317	0.347	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC001588855940	984395960	/nfs/dbraw/zinc/39/59/60/984395960.db2.gz	RVILOULSCVRFPV-NEPJUHHUSA-N	-1	0	324.289	0.400	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC001588855941	984396003	/nfs/dbraw/zinc/39/60/03/984396003.db2.gz	RVILOULSCVRFPV-NWDGAFQWSA-N	-1	0	324.289	0.400	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CNC(=O)c2ccccc21)C(=O)[O-]	ZINC001588856197	984397954	/nfs/dbraw/zinc/39/79/54/984397954.db2.gz	WEIXJGBPYMROBP-STQMWFEESA-N	-1	0	318.329	0.286	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c(C)oc2nc[nH]c(=O)c21)C(=O)[O-]	ZINC001588856920	984402514	/nfs/dbraw/zinc/40/25/14/984402514.db2.gz	SCFQDGOBCZBZQG-QMMMGPOBSA-N	-1	0	321.289	0.622	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C(=O)OC)ccn1)C(=O)[O-]	ZINC001588859513	984406628	/nfs/dbraw/zinc/40/66/28/984406628.db2.gz	NZZRLERWWZTJCV-LLVKDONJSA-N	-1	0	308.290	0.254	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1N)C(=O)[O-]	ZINC001588859864	984409222	/nfs/dbraw/zinc/40/92/22/984409222.db2.gz	ZLPZOTRMUUUWBB-SNVBAGLBSA-N	-1	0	323.305	0.871	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccnc(N2CCCC2)n1)C(=O)[O-]	ZINC001588860270	984411775	/nfs/dbraw/zinc/41/17/75/984411775.db2.gz	OVPLSHITPZXWSK-LBPRGKRZSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCOC[C@H](NCc1cc(C(=O)[O-])c(C)n1C)C(=O)OC	ZINC001588866412	984425006	/nfs/dbraw/zinc/42/50/06/984425006.db2.gz	PAQWPSOPNYFTEF-ZDUSSCGKSA-N	-1	0	310.350	0.866	20	30		DCEDRM
C=CCSCCNC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588879628	984458338	/nfs/dbraw/zinc/45/83/38/984458338.db2.gz	HUKDINWUWXUJIC-VHSXEESVSA-N	-1	0	316.379	0.421	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588879722	984459154	/nfs/dbraw/zinc/45/91/54/984459154.db2.gz	KTKQHCYPFLAMQX-UHFFFAOYSA-N	-1	0	309.347	0.754	20	30		DCEDRM
C=CCn1c([C@H]2CC=NO2)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001588897661	984512289	/nfs/dbraw/zinc/51/22/89/984512289.db2.gz	SVIZCKAJDVIVOA-GHMZBOCLSA-N	-1	0	321.337	0.591	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)nn1	ZINC001588910158	984547789	/nfs/dbraw/zinc/54/77/89/984547789.db2.gz	NKTUVEMAVXUNMG-HNNXBMFYSA-N	-1	0	315.333	0.979	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001588917092	984565162	/nfs/dbraw/zinc/56/51/62/984565162.db2.gz	OMWAZRPBEZBYHY-APPZFPTMSA-N	-1	0	302.308	0.385	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001588917319	984566241	/nfs/dbraw/zinc/56/62/41/984566241.db2.gz	WCGNPBFZHDHQLG-QCNOEVLYSA-N	-1	0	311.334	0.442	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001588917336	984566249	/nfs/dbraw/zinc/56/62/49/984566249.db2.gz	WYSMVKGGMXLJFS-SFYZADRCSA-N	-1	0	318.376	0.853	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001588917814	984567577	/nfs/dbraw/zinc/56/75/77/984567577.db2.gz	AUZLJKANIBPRDC-KOLCDFICSA-N	-1	0	322.292	0.922	20	30		DCEDRM
CC#CCCCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588925178	984585271	/nfs/dbraw/zinc/58/52/71/984585271.db2.gz	MHAFPKKZBAQRBW-OLZOCXBDSA-N	-1	0	306.362	0.572	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC001588925626	984588068	/nfs/dbraw/zinc/58/80/68/984588068.db2.gz	TZMQYRZHHVHTJM-CYBMUJFWSA-N	-1	0	311.359	0.579	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001588926202	984592042	/nfs/dbraw/zinc/59/20/42/984592042.db2.gz	NEPPKMGYXZUIBS-SNVBAGLBSA-N	-1	0	322.292	0.353	20	30		DCEDRM
CC#CC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1	ZINC001588926192	984592078	/nfs/dbraw/zinc/59/20/78/984592078.db2.gz	MSIUTGOMSFGBNP-UHFFFAOYSA-N	-1	0	309.343	0.326	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588926350	984593259	/nfs/dbraw/zinc/59/32/59/984593259.db2.gz	SQENNBKDYVQNGA-GFCCVEGCSA-N	-1	0	304.302	0.214	20	30		DCEDRM
CC#CCCCC(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001588927193	984597399	/nfs/dbraw/zinc/59/73/99/984597399.db2.gz	POAZMPCAYUWHDE-LLVKDONJSA-N	-1	0	304.350	0.707	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC001588931139	984601134	/nfs/dbraw/zinc/60/11/34/984601134.db2.gz	MFZGINFBRZWRRF-UHFFFAOYSA-N	-1	0	304.302	0.814	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001524965323	1015082746	/nfs/dbraw/zinc/08/27/46/1015082746.db2.gz	VKSMKCAAVPHPQP-XYPYZODXSA-N	-1	0	322.365	0.393	20	30		DCEDRM
CC(=O)N(CC(=O)N(CC#N)CCC(=O)[O-])c1ccccc1	ZINC001589047485	985131960	/nfs/dbraw/zinc/13/19/60/985131960.db2.gz	WTBUZVSBEYZZPK-UHFFFAOYSA-N	-1	0	303.318	0.866	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)CC(=O)NC1(C#N)CCCCC1	ZINC001596877015	985730530	/nfs/dbraw/zinc/73/05/30/985730530.db2.gz	GOHTVCCCCFRXEM-LBPRGKRZSA-N	-1	0	311.382	0.751	20	30		DCEDRM
Cc1c(C#N)c(=O)n(Cc2ccsc2C(=O)[O-])c(=O)n1C	ZINC001599973808	986054965	/nfs/dbraw/zinc/05/49/65/986054965.db2.gz	BRPHFKVTOBXVJB-UHFFFAOYSA-N	-1	0	305.315	0.535	20	30		DCEDRM
Cc1c(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cnn1CCC#N	ZINC001599976384	986097898	/nfs/dbraw/zinc/09/78/98/986097898.db2.gz	FIHUQMNOZIAWHD-NSHDSACASA-N	-1	0	306.322	0.421	20	30		DCEDRM
Cc1c(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)cnn1CCC#N	ZINC001599979201	986138582	/nfs/dbraw/zinc/13/85/82/986138582.db2.gz	MIMXIDUSUXIUKO-CQSZACIVSA-N	-1	0	306.322	0.469	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001589329785	986167160	/nfs/dbraw/zinc/16/71/60/986167160.db2.gz	SJQKKAILKPGIDC-VHSXEESVSA-N	-1	0	303.322	0.159	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O	ZINC001589330143	986170315	/nfs/dbraw/zinc/17/03/15/986170315.db2.gz	ZNJRZEJATUQORS-PRHODGIISA-N	-1	0	301.302	0.914	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O	ZINC001589330145	986170317	/nfs/dbraw/zinc/17/03/17/986170317.db2.gz	ZNJRZEJATUQORS-UFBFGSQYSA-N	-1	0	301.302	0.914	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001589330521	986173750	/nfs/dbraw/zinc/17/37/50/986173750.db2.gz	IDAPCNGCUKZRPL-GARJFASQSA-N	-1	0	303.384	0.365	20	30		DCEDRM
C[C@H](C#N)CN(C1CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001589330859	986179383	/nfs/dbraw/zinc/17/93/83/986179383.db2.gz	SHHSQQRBHLBWHE-SNVBAGLBSA-N	-1	0	315.395	0.652	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001589330984	986181615	/nfs/dbraw/zinc/18/16/15/986181615.db2.gz	XUZWWMMDPRMGAR-MJDLHHQISA-N	-1	0	315.395	0.412	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001589331045	986182735	/nfs/dbraw/zinc/18/27/35/986182735.db2.gz	ZAKRELSDCDTSMA-NHYWBVRUSA-N	-1	0	309.366	0.937	20	30		DCEDRM
C[C@@H](C(=O)N(CCC(F)(F)F)CC(=O)[O-])n1cnc(C#N)n1	ZINC001589342757	986271505	/nfs/dbraw/zinc/27/15/05/986271505.db2.gz	QTVBNBYZANMPCG-ZETCQYMHSA-N	-1	0	319.243	0.576	20	30		DCEDRM
C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001589444147	986796339	/nfs/dbraw/zinc/79/63/39/986796339.db2.gz	DPSKIKSPAYAWAD-RTXFEEFZSA-N	-1	0	317.345	0.653	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC001599834215	988718590	/nfs/dbraw/zinc/71/85/90/988718590.db2.gz	QGSFPTINMNCAGS-VIFPVBQESA-N	-1	0	313.317	0.919	20	30		DCEDRM
C#CCN(CC#C)c1nnc(-c2cc(=O)n(C)[n-]2)n1CC1CC1	ZINC001527278741	1015439699	/nfs/dbraw/zinc/43/96/99/1015439699.db2.gz	RPSFFLZIYXQPSI-UHFFFAOYSA-N	-1	0	310.361	0.867	20	30		DCEDRM
C[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)C[C@@H](C(=O)[O-])O1	ZINC001599853861	989057202	/nfs/dbraw/zinc/05/72/02/989057202.db2.gz	RGGNPJILQQVHBH-KOLCDFICSA-N	-1	0	304.306	0.066	20	30		DCEDRM
CN(C(=O)C(=O)NCc1cccc(C#N)c1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001597984422	990071029	/nfs/dbraw/zinc/07/10/29/990071029.db2.gz	QENFPUGNUBQVBX-BETUJISGSA-N	-1	0	315.329	0.496	20	30		DCEDRM
CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(CC#Cc2ccccc2)C1	ZINC001597998622	990127335	/nfs/dbraw/zinc/12/73/35/990127335.db2.gz	QUAUFTBBVLQKSS-JKSUJKDBSA-N	-1	0	312.369	0.901	20	30		DCEDRM
CN(C(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O)c1nccs1	ZINC001598041451	990275631	/nfs/dbraw/zinc/27/56/31/990275631.db2.gz	PXNKMPBXCFPANU-UHFFFAOYSA-N	-1	0	318.314	0.538	20	30		DCEDRM
CC(C)(C)n1nnc(CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001590609585	990276405	/nfs/dbraw/zinc/27/64/05/990276405.db2.gz	KVELSCMDVFCTJK-UHFFFAOYSA-N	-1	0	320.353	0.188	20	30		DCEDRM
CC(C)C#CC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001590927096	990930776	/nfs/dbraw/zinc/93/07/76/990930776.db2.gz	RJPAGVLMNYLEBA-LLVKDONJSA-N	-1	0	302.334	0.269	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN([C@H]2CCN(CCC(=O)[O-])C2=O)CC1	ZINC001590953484	991020242	/nfs/dbraw/zinc/02/02/42/991020242.db2.gz	QCHPKNUZSPVLER-KBPBESRZSA-N	-1	0	322.409	0.228	20	30		DCEDRM
COc1ncc(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cc1C#N	ZINC001599735053	991761701	/nfs/dbraw/zinc/76/17/01/991761701.db2.gz	ZUIJRSYYXSQXMX-LDYMZIIASA-N	-1	0	320.305	0.573	20	30		DCEDRM
CC(C)C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H](C)C#N	ZINC001591163087	991928993	/nfs/dbraw/zinc/92/89/93/991928993.db2.gz	XZHYRMRQWUNJIE-QWRGUYRKSA-N	-1	0	319.365	0.699	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21	ZINC001598468826	991992678	/nfs/dbraw/zinc/99/26/78/991992678.db2.gz	LOSAGVBEMZTHKL-WOPDTQHZSA-N	-1	0	315.395	0.652	20	30		DCEDRM
CS(=O)(=O)c1ccc(C(=O)N(CC#N)CCC(=O)[O-])cc1	ZINC001599767705	992202137	/nfs/dbraw/zinc/20/21/37/992202137.db2.gz	XAZZVQQOTVHIJK-UHFFFAOYSA-N	-1	0	310.331	0.531	20	30		DCEDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)/C=C/c2ccccc2C#N)CC1=O	ZINC001598562400	993101550	/nfs/dbraw/zinc/10/15/50/993101550.db2.gz	KFSQCGRPDAPXAI-YBJDMEARSA-N	-1	0	313.313	0.325	20	30		DCEDRM
COc1ccc(NC(=O)C(=O)NCC2(C#N)CC2)c(C(=O)[O-])c1	ZINC001599588688	993648451	/nfs/dbraw/zinc/64/84/51/993648451.db2.gz	ZYZAWAIFJHSUEG-UHFFFAOYSA-N	-1	0	317.301	0.752	20	30		DCEDRM
COc1ccc(S(=O)(=O)N(C)[C@@H](C)C#N)c(CC(=O)[O-])c1	ZINC001599608544	993920307	/nfs/dbraw/zinc/92/03/07/993920307.db2.gz	GOHNYHYSGNOLIO-VIFPVBQESA-N	-1	0	312.347	0.855	20	30		DCEDRM
C[C@](O)(CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001593399265	995154348	/nfs/dbraw/zinc/15/43/48/995154348.db2.gz	PASYCBKYKRLXKD-WFASDCNBSA-N	-1	0	301.302	0.192	20	30		DCEDRM
N#CCc1cccc([N-]S(=O)(=O)CCN2CCOC2=O)n1	ZINC001464654070	1015933073	/nfs/dbraw/zinc/93/30/73/1015933073.db2.gz	JFTPIHKRCGTEEN-UHFFFAOYSA-N	-1	0	310.335	0.342	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC001598713487	995376558	/nfs/dbraw/zinc/37/65/58/995376558.db2.gz	OZQXMPFCYYVIEX-LERXQTSPSA-N	-1	0	318.329	0.946	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001598714517	995389051	/nfs/dbraw/zinc/38/90/51/995389051.db2.gz	WAFBRGOXFJRWNQ-CJNGLKHVSA-N	-1	0	318.329	0.948	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)ccc1Cl	ZINC001464884865	1015963609	/nfs/dbraw/zinc/96/36/09/1015963609.db2.gz	PUBJAAIKGQOBRP-NSHDSACASA-N	-1	0	318.724	0.938	20	30		DCEDRM
C[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)C(=O)NCC(=O)[O-]	ZINC001593573224	995671502	/nfs/dbraw/zinc/67/15/02/995671502.db2.gz	PZZUAGZCCWGUHM-ZETCQYMHSA-N	-1	0	310.693	0.958	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)NCC2(C#N)CCCC2)C[C@@H]1C(=O)[O-]	ZINC001598809720	996220141	/nfs/dbraw/zinc/22/01/41/996220141.db2.gz	QSWSWIQEAKEJKM-QWRGUYRKSA-N	-1	0	323.349	0.586	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)C[C@H]1C(=O)[O-]	ZINC001598816998	996281368	/nfs/dbraw/zinc/28/13/68/996281368.db2.gz	LVRTYBDYHJPWAE-MNOVXSKESA-N	-1	0	318.285	0.210	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCC(CC(=O)[O-])CC2)C1	ZINC001593739431	996353073	/nfs/dbraw/zinc/35/30/73/996353073.db2.gz	HAXCLTSCXQEGCB-INIZCTEOSA-N	-1	0	321.377	0.852	20	30		DCEDRM
C[C@]1(CCC(=O)[O-])NC(=O)N(CN2CCC(C)(C#N)CC2)C1=O	ZINC001593742962	996363984	/nfs/dbraw/zinc/36/39/84/996363984.db2.gz	JURCIKRBXGBSST-OAHLLOKOSA-N	-1	0	322.365	0.745	20	30		DCEDRM
COC(=O)[C@H]1CN(c2cc(C#N)nc(C3CC3)n2)C[C@H]1C(=O)[O-]	ZINC001598826572	996389114	/nfs/dbraw/zinc/38/91/14/996389114.db2.gz	JCZFZOGZAHMXIT-MNOVXSKESA-N	-1	0	316.317	0.536	20	30		DCEDRM
C[C@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@H]1NCC#N	ZINC001502759824	1016058678	/nfs/dbraw/zinc/05/86/78/1016058678.db2.gz	MUHKOQKHZOAZRO-DTWKUNHWSA-N	-1	0	320.315	0.404	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(c2nnc(C3(C#N)CCCC3)n2C)C1	ZINC001599076765	996888018	/nfs/dbraw/zinc/88/80/18/996888018.db2.gz	FPQVEXFKEXOPDT-OAHLLOKOSA-N	-1	0	319.365	0.830	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])OC(=O)Cc1ccccc1CC#N	ZINC001598889823	996970740	/nfs/dbraw/zinc/97/07/40/996970740.db2.gz	RPISTZUBVNJZQX-GFCCVEGCSA-N	-1	0	305.286	0.855	20	30		DCEDRM
C[C@@H]1CC(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@@H](C)O1	ZINC001466621689	1016094637	/nfs/dbraw/zinc/09/46/37/1016094637.db2.gz	AGVLABWNGJANMW-NXEZZACHSA-N	-1	0	320.349	0.283	20	30		DCEDRM
COC(=O)[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H](C)O1	ZINC001598905915	997263962	/nfs/dbraw/zinc/26/39/62/997263962.db2.gz	UVKYRPCTIWJNLT-LERXQTSPSA-N	-1	0	318.329	0.946	20	30		DCEDRM
COc1c(F)cccc1S(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001599335890	997835323	/nfs/dbraw/zinc/83/53/23/997835323.db2.gz	QVVMMNRNDJVSQN-UHFFFAOYSA-N	-1	0	316.310	0.823	20	30		DCEDRM
COCCN(CC#N)C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001599231905	997874784	/nfs/dbraw/zinc/87/47/84/997874784.db2.gz	YXVBCKZMJIYUOL-CHWSQXEVSA-N	-1	0	309.366	0.170	20	30		DCEDRM
CO[C@H]1CN(C(=O)c2cc(C)c(C#N)cn2)[C@](C)(C(=O)[O-])C1	ZINC001599129229	997910080	/nfs/dbraw/zinc/91/00/80/997910080.db2.gz	FGTVZJRAYAEJKL-ABAIWWIYSA-N	-1	0	303.318	0.966	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1ccccc1CC#N	ZINC001599234573	997924065	/nfs/dbraw/zinc/92/40/65/997924065.db2.gz	PXZJRLNMNLKMQO-UHFFFAOYSA-N	-1	0	312.347	0.474	20	30		DCEDRM
COc1cc(C#N)ccc1OCCN1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001599350119	998078526	/nfs/dbraw/zinc/07/85/26/998078526.db2.gz	DGZLOTPXKKIAFQ-WFASDCNBSA-N	-1	0	320.345	0.856	20	30		DCEDRM
COCC#CC(=O)N[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O	ZINC001599138123	998078733	/nfs/dbraw/zinc/07/87/33/998078733.db2.gz	IGDCVTRPDJYWNO-CYBMUJFWSA-N	-1	0	316.313	0.404	20	30		DCEDRM
COc1cc(C(=O)N(CC#N)CC(=O)[O-])c([N+](=O)[O-])cc1F	ZINC001599350586	998086345	/nfs/dbraw/zinc/08/63/45/998086345.db2.gz	CARWDEQRPVYJTL-UHFFFAOYSA-N	-1	0	311.225	0.793	20	30		DCEDRM
COCC(=O)NCCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001599143126	998166768	/nfs/dbraw/zinc/16/67/68/998166768.db2.gz	NDIQFMXQOPEWHQ-AWEZNQCLSA-N	-1	0	320.301	0.380	20	30		DCEDRM
COC[C@](C)(NCC(=O)N(C)C1(C#N)CCCCC1)C(=O)[O-]	ZINC001599154771	998353276	/nfs/dbraw/zinc/35/32/76/998353276.db2.gz	VRMWASDJEYXVIW-AWEZNQCLSA-N	-1	0	311.382	0.751	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(C#N)n1	ZINC001594142328	998453923	/nfs/dbraw/zinc/45/39/23/998453923.db2.gz	SEDLMDQIORSSCW-WCBMZHEXSA-N	-1	0	302.290	0.213	20	30		DCEDRM
COCCC1N=NC(=S)N1N=Cc1ccc(C(=O)[O-])n1C	ZINC001599265290	998457850	/nfs/dbraw/zinc/45/78/50/998457850.db2.gz	NALSHCUHLCSCGA-UHFFFAOYSA-N	-1	0	309.351	0.675	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H](C2CC2)C2CCC2)c(=O)[n-]c1=O	ZINC001468732992	1016274141	/nfs/dbraw/zinc/27/41/41/1016274141.db2.gz	DMTSISMBVMHUIL-CYBMUJFWSA-N	-1	0	302.334	0.515	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC001599070171	999327098	/nfs/dbraw/zinc/32/70/98/999327098.db2.gz	HVUYKYJJXBWNFB-MRXNPFEDSA-N	-1	0	317.345	0.986	20	30		DCEDRM
CCCN1C[C@H](CNC(=O)c2[n-]c(=O)c(C#N)cc2C)CC1=O	ZINC001469152007	1016314891	/nfs/dbraw/zinc/31/48/91/1016314891.db2.gz	NREPFEIHORQGEE-NSHDSACASA-N	-1	0	316.361	0.956	20	30		DCEDRM
C[C@@H]1[C@@H](C)CCCN1C(=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001594376215	999418836	/nfs/dbraw/zinc/41/88/36/999418836.db2.gz	FAGFTOLEGKSEHW-NWDGAFQWSA-N	-1	0	321.377	0.850	20	30		DCEDRM
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])[C@H]1CO	ZINC001594431557	999605952	/nfs/dbraw/zinc/60/59/52/999605952.db2.gz	ATPUUBZUOVGWGW-SKDRFNHKSA-N	-1	0	324.358	0.648	20	30		DCEDRM
C[C@@H]1CN(C(=O)NC2CC(CC(=O)[O-])C2)C[C@H](C)N1CC#N	ZINC001594471672	999705371	/nfs/dbraw/zinc/70/53/71/999705371.db2.gz	ZVTOEYASZYXNJK-MPEURRAXSA-N	-1	0	308.382	0.867	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cncc3[nH]ccc32)c(=O)[n-]c1=O	ZINC001470361239	1016426790	/nfs/dbraw/zinc/42/67/90/1016426790.db2.gz	PWRUENPLYLOAII-UHFFFAOYSA-N	-1	0	324.300	0.127	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1	ZINC001420289865	1002173563	/nfs/dbraw/zinc/17/35/63/1002173563.db2.gz	JWTHGFYCMDUYEJ-ZBEGNZNMSA-N	-1	0	314.345	0.695	20	30		DCEDRM
N#Cc1cn(CCC(=O)NOc2ccccc2F)c(=O)[n-]c1=O	ZINC001471718234	1016641339	/nfs/dbraw/zinc/64/13/39/1016641339.db2.gz	HOEALZWFHJAVNW-UHFFFAOYSA-N	-1	0	318.264	0.460	20	30		DCEDRM
COC[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1nnn[n-]1	ZINC001471844194	1016666543	/nfs/dbraw/zinc/66/65/43/1016666543.db2.gz	VVZNJJFFOMKPDC-GFCCVEGCSA-N	-1	0	300.322	0.508	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2noc3c2CCCC3)c(C#N)c1=O	ZINC001421156611	1003387866	/nfs/dbraw/zinc/38/78/66/1003387866.db2.gz	OEAVFBANYYIJOV-UHFFFAOYSA-N	-1	0	301.306	0.424	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@](C)(O)c2ccccc2)c(C#N)c1=O	ZINC001472695994	1016846566	/nfs/dbraw/zinc/84/65/66/1016846566.db2.gz	BPOHUVIDIUUPCG-OAHLLOKOSA-N	-1	0	300.318	0.265	20	30		DCEDRM
CC[C@H]1CCC[C@@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001427176176	1004241778	/nfs/dbraw/zinc/24/17/78/1004241778.db2.gz	RDJIGKUHABPUNO-JQWIXIFHSA-N	-1	0	319.365	0.698	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC2(CC(N)=O)CCCCC2)c(C#N)c1=O	ZINC001472841587	1016860445	/nfs/dbraw/zinc/86/04/45/1016860445.db2.gz	HHLPUZXAHKAFJT-UHFFFAOYSA-N	-1	0	319.365	0.183	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2noc3ccc(F)cc23)c(C#N)c1=O	ZINC001472856636	1016863111	/nfs/dbraw/zinc/86/31/11/1016863111.db2.gz	FFWJRBHKEYYBKA-UHFFFAOYSA-N	-1	0	315.264	0.838	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C#N)C3)c1[O-]	ZINC001427255289	1004284433	/nfs/dbraw/zinc/28/44/33/1004284433.db2.gz	CRWWOQDMAIJJIG-SNXWAXQRSA-N	-1	0	317.349	0.445	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H]2CN(C)C(=O)C#CC2CC2)c1[O-]	ZINC001514608314	1016988131	/nfs/dbraw/zinc/98/81/31/1016988131.db2.gz	YPJGSFPWIWLIPF-GFCCVEGCSA-N	-1	0	316.361	0.510	20	30		DCEDRM
CCN1CCCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1=O	ZINC001417716025	1005874684	/nfs/dbraw/zinc/87/46/84/1005874684.db2.gz	XGTRURMNBFOLFL-UHFFFAOYSA-N	-1	0	302.334	0.662	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)C(=O)N1CCCC1	ZINC001417728391	1005877548	/nfs/dbraw/zinc/87/75/48/1005877548.db2.gz	VWFXTRICNZSCRK-JTQLQIEISA-N	-1	0	302.334	0.708	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)cc1C#N	ZINC001417883481	1005914694	/nfs/dbraw/zinc/91/46/94/1005914694.db2.gz	RJUPPDCEPZYHBZ-URLYPYJESA-N	-1	0	305.359	0.691	20	30		DCEDRM
CC[C@H](C)C[C@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001418163969	1006118480	/nfs/dbraw/zinc/11/84/80/1006118480.db2.gz	PSVAQPCURUJPLD-CMPLNLGQSA-N	-1	0	322.365	0.124	20	30		DCEDRM
COC(=O)c1cccc(OCCn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001421412112	1008544267	/nfs/dbraw/zinc/54/42/67/1008544267.db2.gz	ZKCKFBBANFJECX-UHFFFAOYSA-N	-1	0	315.285	0.274	20	30		DCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccc(C#N)cc1	ZINC001433606347	1008993713	/nfs/dbraw/zinc/99/37/13/1008993713.db2.gz	CBMCSRZZUTUPRN-JTQLQIEISA-N	-1	0	323.312	0.570	20	30		DCEDRM
Cc1cccc(F)c1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001433731533	1009128213	/nfs/dbraw/zinc/12/82/13/1009128213.db2.gz	BOHVPAJREJOBSH-UHFFFAOYSA-N	-1	0	316.292	0.585	20	30		DCEDRM
N#Cc1cn(CC(=O)NC(C2CCC2)C2CCC2)c(=O)[n-]c1=O	ZINC001433973427	1009418340	/nfs/dbraw/zinc/41/83/40/1009418340.db2.gz	IFMCMASKXCCJJD-UHFFFAOYSA-N	-1	0	316.361	0.906	20	30		DCEDRM
CO[C@](C)([C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001434084831	1009540634	/nfs/dbraw/zinc/54/06/34/1009540634.db2.gz	ZJBRBGOMCMTPFO-BJOHPYRUSA-N	-1	0	320.349	0.140	20	30		DCEDRM
N#Cc1cn(CCNC(=O)COc2ccsc2)c(=O)[n-]c1=O	ZINC001434206439	1009662011	/nfs/dbraw/zinc/66/20/11/1009662011.db2.gz	GCWKDGXLDAFKSS-UHFFFAOYSA-N	-1	0	320.330	0.077	20	30		DCEDRM
Cc1ccsc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434206998	1009662766	/nfs/dbraw/zinc/66/27/66/1009662766.db2.gz	JLQHDESECZKRET-UHFFFAOYSA-N	-1	0	304.331	0.621	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)c(=O)[n-]c1=O	ZINC001434214782	1009669968	/nfs/dbraw/zinc/66/99/68/1009669968.db2.gz	DUDWGLLRBRZYSC-GRYCIOLGSA-N	-1	0	316.361	0.763	20	30		DCEDRM
CO[C@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)[C@](C)(CO)C1	ZINC001434283243	1009725510	/nfs/dbraw/zinc/72/55/10/1009725510.db2.gz	NLUYWLYOEUWMNK-ABAIWWIYSA-N	-1	0	305.334	0.579	20	30		DCEDRM
O=C(CCCc1nnn[n-]1)N1CCC2(CC1)CC(=O)C=CO2	ZINC001434399123	1009901853	/nfs/dbraw/zinc/90/18/53/1009901853.db2.gz	BXCBUZZRARUBFT-UHFFFAOYSA-N	-1	0	305.338	0.387	20	30		DCEDRM
Cc1cc(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)c(F)cc1F	ZINC001434452622	1009969106	/nfs/dbraw/zinc/96/91/06/1009969106.db2.gz	CHPQDETWCJQVSB-UHFFFAOYSA-N	-1	0	305.240	0.878	20	30		DCEDRM
CC(=O)N[C@@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1	ZINC001434476149	1010004678	/nfs/dbraw/zinc/00/46/78/1010004678.db2.gz	UIUJKVIOMBDNLD-LLVKDONJSA-N	-1	0	300.322	0.017	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CC[C@@H](O)[C@@H](O)CC1	ZINC001455972138	1010058380	/nfs/dbraw/zinc/05/83/80/1010058380.db2.gz	DSCLIHJLIJGIKB-ZSBIGDGJSA-N	-1	0	305.334	0.362	20	30		DCEDRM
CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(C#N)cc2F)n1	ZINC001457592800	1011763182	/nfs/dbraw/zinc/76/31/82/1011763182.db2.gz	QUORFNSMQFKQOG-UHFFFAOYSA-N	-1	0	309.282	0.471	20	30		DCEDRM
CN(CCC(=O)OC(C)(C)C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001458261427	1012121002	/nfs/dbraw/zinc/12/10/02/1012121002.db2.gz	NEMKPZLPTBDTBM-UHFFFAOYSA-N	-1	0	308.338	0.113	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CCO[C@H]2c2ccccc2)c(C#N)c1=O	ZINC001458537220	1012206851	/nfs/dbraw/zinc/20/68/51/1012206851.db2.gz	ULWPHZAJLPZWJQ-OLZOCXBDSA-N	-1	0	312.329	0.887	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2coc3ccccc23)c(=O)[n-]c1=O	ZINC001556735102	1012223403	/nfs/dbraw/zinc/22/34/03/1012223403.db2.gz	ZYPSXMZTJQKKOU-UHFFFAOYSA-N	-1	0	324.296	0.883	20	30		DCEDRM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC001561429188	1012468040	/nfs/dbraw/zinc/46/80/40/1012468040.db2.gz	GWLFYGPVJRXJIY-SECBINFHSA-N	-1	0	303.336	0.529	20	30		DCEDRM
C[C@H]1CCCC[C@@H]1OCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001515362565	1017119011	/nfs/dbraw/zinc/11/90/11/1017119011.db2.gz	QAAPVGVDZJZNEA-JQWIXIFHSA-N	-1	0	306.366	0.952	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cnc[nH]c2=O)[C@@H]1C	ZINC001521054594	1017327531	/nfs/dbraw/zinc/32/75/31/1017327531.db2.gz	YNMMQAPPSJRVFZ-KKZNHRDASA-N	-1	0	303.322	0.061	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001509857586	1017453045	/nfs/dbraw/zinc/45/30/45/1017453045.db2.gz	QVUCKXGNVIVPAZ-HAQNSBGRSA-N	-1	0	318.377	0.708	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)C#CC(C)C)c1[O-]	ZINC001500176970	1018270166	/nfs/dbraw/zinc/27/01/66/1018270166.db2.gz	HDHZHFXGFNIYHZ-SNVBAGLBSA-N	-1	0	306.366	0.565	20	30		DCEDRM
C[C@]1(CNCC#N)CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001500394846	1018438361	/nfs/dbraw/zinc/43/83/61/1018438361.db2.gz	ZEIDHLVRSGZRMI-OAHLLOKOSA-N	-1	0	315.333	0.894	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)NC[C@@H](C)NC(=O)C#CC1CC1	ZINC001502157656	1019771192	/nfs/dbraw/zinc/77/11/92/1019771192.db2.gz	GEVORKYXMHADQB-SECBINFHSA-N	-1	0	302.334	0.139	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001494203995	1020073423	/nfs/dbraw/zinc/07/34/23/1020073423.db2.gz	SBSUSHRRDHMLRS-MXWKQRLJSA-N	-1	0	322.365	0.392	20	30		DCEDRM
CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1ccc(C#N)[nH]1)C(=O)[O-]	ZINC001609902368	1171119002	/nfs/dbraw/zinc/11/90/02/1171119002.db2.gz	LTYSOFMAYMDXEH-PRHODGIISA-N	-1	0	307.306	0.659	20	30		DCEDRM
N#CC1(CS(=O)(=O)N(CCC(=O)[O-])Cc2cccnc2)CC1	ZINC000275304047	238304149	/nfs/dbraw/zinc/30/41/49/238304149.db2.gz	NJUNRDXRBROWOP-UHFFFAOYSA-N	-1	0	323.374	0.992	20	30		DCEDRM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CC(C)(C#N)C1	ZINC000361231659	239086341	/nfs/dbraw/zinc/08/63/41/239086341.db2.gz	JVYLTIHFXOERJE-UHFFFAOYSA-N	-1	0	324.344	0.862	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1	ZINC000496826944	241261044	/nfs/dbraw/zinc/26/10/44/241261044.db2.gz	IMXFFVHOZSVCCP-AWEZNQCLSA-N	-1	0	318.329	0.705	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1c(C)nn(CC)c1C	ZINC000275248180	212223477	/nfs/dbraw/zinc/22/34/77/212223477.db2.gz	HNQIEYVBYGYXAR-UHFFFAOYSA-N	-1	0	301.368	0.781	20	30		DCEDRM
CC(C)N(C(=O)Cn1c(=O)[n-]cc(C#N)c1=O)c1ccccc1	ZINC000569240820	291469095	/nfs/dbraw/zinc/46/90/95/291469095.db2.gz	HOPJXSHSTVACKQ-UHFFFAOYSA-N	-1	0	312.329	0.850	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)NCCSCC(=O)[O-]	ZINC000275017459	212074973	/nfs/dbraw/zinc/07/49/73/212074973.db2.gz	OFVRZISVSRDSFQ-UHFFFAOYSA-N	-1	0	314.388	0.963	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000263539360	284855376	/nfs/dbraw/zinc/85/53/76/284855376.db2.gz	BORSXGGUUPMKRD-LBPRGKRZSA-N	-1	0	311.363	0.882	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C	ZINC000263203570	285049546	/nfs/dbraw/zinc/04/95/46/285049546.db2.gz	XTUYKGQIMYFWHX-GRYCIOLGSA-N	-1	0	317.411	0.898	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000352878420	254434528	/nfs/dbraw/zinc/43/45/28/254434528.db2.gz	TVMGHSNORGFGRI-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
CS(=O)(=O)[N-]c1nnc(NC(=O)C2(C#N)CCC2)s1	ZINC000265437434	533423413	/nfs/dbraw/zinc/42/34/13/533423413.db2.gz	JDEDFJKFWIIUAU-UHFFFAOYSA-N	-1	0	301.353	0.542	20	30		DCEDRM
N#Cc1nc(NC(=O)CNC(=O)C2CCCCC2)[n-]c1C#N	ZINC000026269310	395694341	/nfs/dbraw/zinc/69/43/41/395694341.db2.gz	HVNYCSJGRPLYGL-UHFFFAOYSA-N	-1	0	300.322	0.788	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c1C#N	ZINC000276384371	395991163	/nfs/dbraw/zinc/99/11/63/395991163.db2.gz	XACWBDYEDLFONP-LLVKDONJSA-N	-1	0	303.318	0.890	20	30		DCEDRM
CC(C)C[C@H](CNS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000261621043	396050222	/nfs/dbraw/zinc/05/02/22/396050222.db2.gz	GJKRDHZOZYDIBO-LLVKDONJSA-N	-1	0	311.363	0.978	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000071228122	396111138	/nfs/dbraw/zinc/11/11/38/396111138.db2.gz	OUTZPWJCEXVEAW-UHFFFAOYSA-N	-1	0	312.347	0.936	20	30		DCEDRM
N#Cc1cccc(N2CCN(C(=O)NCCCC(=O)[O-])CC2)n1	ZINC000263477447	396218007	/nfs/dbraw/zinc/21/80/07/396218007.db2.gz	MZHZVPLPVZNNBT-UHFFFAOYSA-N	-1	0	317.349	0.650	20	30		DCEDRM
CC[C@](C)(CNS(=O)(=O)N(CCC#N)CCOC)C(=O)[O-]	ZINC000580895582	396509665	/nfs/dbraw/zinc/50/96/65/396509665.db2.gz	LJEREANWFJGLEY-GFCCVEGCSA-N	-1	0	321.399	0.184	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](C)[C@H]1C(=O)[O-]	ZINC000580958594	396514940	/nfs/dbraw/zinc/51/49/40/396514940.db2.gz	ZHVQVFOKJOWQDC-VWYCJHECSA-N	-1	0	303.384	0.508	20	30		DCEDRM
CC(C)[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594536853	396485127	/nfs/dbraw/zinc/48/51/27/396485127.db2.gz	HUDPLJORXJECOY-ZDUSSCGKSA-N	-1	0	317.345	0.647	20	30		DCEDRM
C[C@@H](C[C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1)C(=O)[O-]	ZINC000594574305	396487769	/nfs/dbraw/zinc/48/77/69/396487769.db2.gz	XGPWSXABGXWNES-RYUDHWBXSA-N	-1	0	317.411	0.899	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N[C@H](CCF)C(=O)[O-])c1	ZINC000594573990	396487947	/nfs/dbraw/zinc/48/79/47/396487947.db2.gz	TVCIIRQBEJAVRI-LLVKDONJSA-N	-1	0	300.311	0.790	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-]	ZINC000581314113	396544706	/nfs/dbraw/zinc/54/47/06/396544706.db2.gz	DZUHCOIQEWWJPG-UTUOFQBUSA-N	-1	0	317.411	0.946	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1	ZINC000562422671	396663195	/nfs/dbraw/zinc/66/31/95/396663195.db2.gz	GIOPAEOGVRJNCV-UHFFFAOYSA-N	-1	0	307.291	0.264	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000588849117	396695348	/nfs/dbraw/zinc/69/53/48/396695348.db2.gz	IXRVTRLEOMEBRR-UHFFFAOYSA-N	-1	0	315.289	0.035	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)c1	ZINC000563430220	396732750	/nfs/dbraw/zinc/73/27/50/396732750.db2.gz	DJHKTJVZSVATOO-AAEUAGOBSA-N	-1	0	324.358	0.404	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1	ZINC000629775465	396828346	/nfs/dbraw/zinc/82/83/46/396828346.db2.gz	DVGOXGJNSXNQJA-WCQYABFASA-N	-1	0	308.378	0.980	20	30		DCEDRM
Cn1cccc(N=C([O-])N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1=O	ZINC000329021414	396836020	/nfs/dbraw/zinc/83/60/20/396836020.db2.gz	MDXXOMNDHUQXHW-YUTCNCBUSA-N	-1	0	321.377	0.793	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CCO1	ZINC000597169249	396904972	/nfs/dbraw/zinc/90/49/72/396904972.db2.gz	TVVILYYIKIYECT-LLVKDONJSA-N	-1	0	300.274	0.394	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000591350386	396905369	/nfs/dbraw/zinc/90/53/69/396905369.db2.gz	RGUWNZAQGWZUHD-NSHDSACASA-N	-1	0	303.384	0.653	20	30		DCEDRM
N#CCC1(CNC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)CC1	ZINC000591457916	396924077	/nfs/dbraw/zinc/92/40/77/396924077.db2.gz	JDAQZUBSYJFXQZ-UHFFFAOYSA-N	-1	0	315.329	0.811	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1	ZINC000591568509	396930448	/nfs/dbraw/zinc/93/04/48/396930448.db2.gz	QDLJEBBBZXGFGN-XHBSWPGZSA-N	-1	0	321.377	0.708	20	30		DCEDRM
N#CCN1CCC(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC000597293464	396933570	/nfs/dbraw/zinc/93/35/70/396933570.db2.gz	LOMBPPLGHRMIPN-UHFFFAOYSA-N	-1	0	315.333	0.894	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N2CCC(CC#N)CC2)CC[C@H]1C(=O)[O-]	ZINC000600802954	396944815	/nfs/dbraw/zinc/94/48/15/396944815.db2.gz	VPCDBHFFFHRIBT-WCQYABFASA-N	-1	0	321.377	0.708	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(=O)n(CCOC)n1)C(=O)[O-]	ZINC000630318867	396984729	/nfs/dbraw/zinc/98/47/29/396984729.db2.gz	NOQXDNLPEPMCTD-LLVKDONJSA-N	-1	0	309.322	0.039	20	30		DCEDRM
CC1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1	ZINC000592426684	397172523	/nfs/dbraw/zinc/17/25/23/397172523.db2.gz	NQVOOXWMIQLNBC-UHFFFAOYSA-N	-1	0	316.317	0.605	20	30		DCEDRM
COc1ccc2ncc(C#N)c(NC[C@@](C)(O)C(=O)[O-])c2c1	ZINC000592421964	397172545	/nfs/dbraw/zinc/17/25/45/397172545.db2.gz	YCPNJQYRUAMZFI-OAHLLOKOSA-N	-1	0	301.302	0.784	20	30		DCEDRM
CCN(Cc1ccccc1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602044113	397290454	/nfs/dbraw/zinc/29/04/54/397290454.db2.gz	NRRWVVYYIGXLKA-UHFFFAOYSA-N	-1	0	312.329	0.869	20	30		DCEDRM
CC[C@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602062161	397292672	/nfs/dbraw/zinc/29/26/72/397292672.db2.gz	YMGSPMWPKJCSER-NSHDSACASA-N	-1	0	304.350	0.859	20	30		DCEDRM
C[C@@H]1[C@H](C)SCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602104206	397302005	/nfs/dbraw/zinc/30/20/05/397302005.db2.gz	ZFSZUDINPGJEHA-BDAKNGLRSA-N	-1	0	308.363	0.173	20	30		DCEDRM
CC[C@@]1(C)CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602116292	397307464	/nfs/dbraw/zinc/30/74/64/397307464.db2.gz	DBVTVJVCYQDDQM-HNNXBMFYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC12CCC2	ZINC000602127822	397311382	/nfs/dbraw/zinc/31/13/82/397311382.db2.gz	AAOSAICGRIUDGW-LLVKDONJSA-N	-1	0	316.361	0.859	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000593269570	397346286	/nfs/dbraw/zinc/34/62/86/397346286.db2.gz	JMZBFVQXJNRSIQ-MNOVXSKESA-N	-1	0	303.384	0.794	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000577297102	397322513	/nfs/dbraw/zinc/32/25/13/397322513.db2.gz	ZHKJICVBAQHBAB-XYPYZODXSA-N	-1	0	304.302	0.925	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c(F)c1	ZINC000370330253	397471273	/nfs/dbraw/zinc/47/12/73/397471273.db2.gz	QTOJZPKAFVCWRD-JTQLQIEISA-N	-1	0	320.259	0.563	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	ZINC000578968262	397506360	/nfs/dbraw/zinc/50/63/60/397506360.db2.gz	VVNPABSDDDWXHQ-ZDUSSCGKSA-N	-1	0	317.407	0.979	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)/C=C/c1cncc(OC)c1)C(=O)[O-]	ZINC000493029675	397525705	/nfs/dbraw/zinc/52/57/05/397525705.db2.gz	WOTGONQFNCJFCY-MUBLQREKSA-N	-1	0	306.318	0.875	20	30		DCEDRM
CCOC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C(C)C	ZINC000494714374	397532549	/nfs/dbraw/zinc/53/25/49/397532549.db2.gz	ZLXULLCLNMKIOZ-SNVBAGLBSA-N	-1	0	319.383	0.507	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1[C@H](C(=O)[O-])CCC1(C)C	ZINC000579844747	397595346	/nfs/dbraw/zinc/59/53/46/397595346.db2.gz	LSDSWPZCCPFZKE-UWVGGRQHSA-N	-1	0	303.384	0.793	20	30		DCEDRM
CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000268224218	415178633	/nfs/dbraw/zinc/17/86/33/415178633.db2.gz	XBJCBDCXIPXHLX-ZETCQYMHSA-N	-1	0	317.317	0.639	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])c1	ZINC000290724538	415822282	/nfs/dbraw/zinc/82/22/82/415822282.db2.gz	VISFGGOVPWRUDZ-QMMMGPOBSA-N	-1	0	305.262	0.340	20	30		DCEDRM
CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cccc(C#N)c2)C1=O	ZINC000298683667	416023204	/nfs/dbraw/zinc/02/32/04/416023204.db2.gz	XRFIRSJZLFRWLN-CYBMUJFWSA-N	-1	0	322.346	0.472	20	30		DCEDRM
Cn1ncc2c1n(C)cc(/C([O-])=N/CC1(O)CCCC1)c2=O	ZINC000329215296	416156244	/nfs/dbraw/zinc/15/62/44/416156244.db2.gz	MLKDLHUSWCRHCV-UHFFFAOYSA-N	-1	0	304.350	0.882	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000422643902	416443734	/nfs/dbraw/zinc/44/37/34/416443734.db2.gz	LLRVFOHPYFEMGY-SNVBAGLBSA-N	-1	0	306.318	0.767	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000422649298	416444890	/nfs/dbraw/zinc/44/48/90/416444890.db2.gz	IAYPCCCTUBIDFQ-QMMMGPOBSA-N	-1	0	305.290	0.485	20	30		DCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000361999151	416542890	/nfs/dbraw/zinc/54/28/90/416542890.db2.gz	HYAAVNMOVUMLHG-MRVPVSSYSA-N	-1	0	300.311	0.980	20	30		DCEDRM
CO[C@H]1CN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C[C@@H]1OC	ZINC000489200717	416562905	/nfs/dbraw/zinc/56/29/05/416562905.db2.gz	GUUJSNFQCDTRDD-QWRGUYRKSA-N	-1	0	323.374	0.867	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000436665647	416567422	/nfs/dbraw/zinc/56/74/22/416567422.db2.gz	RNSPVVICBMZIIZ-UHFFFAOYSA-N	-1	0	302.250	0.194	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000424367455	416638564	/nfs/dbraw/zinc/63/85/64/416638564.db2.gz	MDCHQDVVOHGBLS-IJLUTSLNSA-N	-1	0	317.411	0.898	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N(C)C1(C(=O)[O-])CCOCC1	ZINC000563224552	416877223	/nfs/dbraw/zinc/87/72/23/416877223.db2.gz	BZAJERLLPGCLIT-JTQLQIEISA-N	-1	0	319.383	0.031	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)cc1F	ZINC000427773990	416846422	/nfs/dbraw/zinc/84/64/22/416846422.db2.gz	NYQZQUNFEZUDJF-UHFFFAOYSA-N	-1	0	318.293	0.936	20	30		DCEDRM
N#Cc1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cc1F	ZINC000564985508	416901346	/nfs/dbraw/zinc/90/13/46/416901346.db2.gz	ILVFQKNHLOOINA-UHFFFAOYSA-N	-1	0	307.281	0.295	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-]	ZINC000519536060	416910959	/nfs/dbraw/zinc/91/09/59/416910959.db2.gz	HYFIOESYUSVFQX-KXNHARMFSA-N	-1	0	315.395	0.650	20	30		DCEDRM
C=CCc1ccccc1OC[C@H](O)CN1CCOC[C@H]1C(=O)[O-]	ZINC000565103657	416923077	/nfs/dbraw/zinc/92/30/77/416923077.db2.gz	NZHCTGJAXSWOMT-CABCVRRESA-N	-1	0	321.373	0.940	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)CCCC(F)(F)F)C(=O)[O-]	ZINC000568625891	417158206	/nfs/dbraw/zinc/15/82/06/417158206.db2.gz	FLYIYEQLLDJCMQ-QMMMGPOBSA-N	-1	0	319.301	0.904	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)[n-]c1C#N	ZINC000525943618	417163987	/nfs/dbraw/zinc/16/39/87/417163987.db2.gz	PQOAPQQVKFFVOY-SSDOTTSWSA-N	-1	0	312.255	0.976	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000573255573	417469220	/nfs/dbraw/zinc/46/92/20/417469220.db2.gz	ZIPNKNPRKZBUBI-UWVGGRQHSA-N	-1	0	323.440	0.509	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1cnccc1OCC)C(=O)[O-]	ZINC000646041079	417860858	/nfs/dbraw/zinc/86/08/58/417860858.db2.gz	PQUUAEONTAJJOO-SECBINFHSA-N	-1	0	300.336	0.788	20	30		DCEDRM
C=CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@H](C)COC	ZINC000662910562	417947949	/nfs/dbraw/zinc/94/79/49/417947949.db2.gz	AHMWWWTVTGGVQH-GHMZBOCLSA-N	-1	0	300.355	0.215	20	30		DCEDRM
C=CCn1c(SC[C@@H]2CCN(S(C)(=O)=O)C2)n[n-]c1=N	ZINC000647116468	417991015	/nfs/dbraw/zinc/99/10/15/417991015.db2.gz	JCENAQXWZQHZNH-SECBINFHSA-N	-1	0	317.440	0.250	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655901609	418299290	/nfs/dbraw/zinc/29/92/90/418299290.db2.gz	LLEUAOUGTGXPDZ-OUAUKWLOSA-N	-1	0	311.382	0.723	20	30		DCEDRM
N#Cc1ccc(C(=O)CNC(=O)c2c[n-]n3c2nccc3=O)cc1	ZINC000356163111	261398728	/nfs/dbraw/zinc/39/87/28/261398728.db2.gz	LPCXOHPPMOGKMO-UHFFFAOYSA-N	-1	0	321.296	0.507	20	30		DCEDRM
Cn1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)c(=O)n(C)c1=O	ZINC000357570324	261555539	/nfs/dbraw/zinc/55/55/39/261555539.db2.gz	SSIDYHQBPDEVOT-PLNGDYQASA-N	-1	0	312.285	0.219	20	30		DCEDRM
COC(=O)Cc1nc(NC(=O)c2ccc(C#N)c([O-])c2)n[nH]1	ZINC000442653379	267369433	/nfs/dbraw/zinc/36/94/33/267369433.db2.gz	VPGFINCXZLGECC-UHFFFAOYSA-N	-1	0	301.262	0.350	20	30		DCEDRM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ncccc2C#N)cn1	ZINC000443132742	267370377	/nfs/dbraw/zinc/37/03/77/267370377.db2.gz	LVDVNVGVIJYRRN-UHFFFAOYSA-N	-1	0	321.318	0.124	20	30		DCEDRM
N#Cc1cnc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(Cl)c1	ZINC000424468657	271404447	/nfs/dbraw/zinc/40/44/47/271404447.db2.gz	JZGQTICYFZCJKR-VIFPVBQESA-N	-1	0	315.738	0.295	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000547892681	288089402	/nfs/dbraw/zinc/08/94/02/288089402.db2.gz	HSZWINLGTOCTPN-SECBINFHSA-N	-1	0	318.738	0.590	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccco2)C(=O)[O-])cn1	ZINC000547901787	288090110	/nfs/dbraw/zinc/09/01/10/288090110.db2.gz	KAGXKZGXBVJYEH-LBPRGKRZSA-N	-1	0	321.314	0.520	20	30		DCEDRM
Cc1cc(N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c(C#N)cn1	ZINC000424379312	301059329	/nfs/dbraw/zinc/05/93/29/301059329.db2.gz	VIUQHHBEZROUAT-GXTWGEPZSA-N	-1	0	316.361	0.806	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000230108940	301076125	/nfs/dbraw/zinc/07/61/25/301076125.db2.gz	ZXJVGWCDOBXDMF-NSHDSACASA-N	-1	0	310.331	0.341	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)[O-]	ZINC000518528081	332074368	/nfs/dbraw/zinc/07/43/68/332074368.db2.gz	PLXQLUNIOGVVQR-QWRGUYRKSA-N	-1	0	307.368	0.131	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)NCC[C@@H](C)CC(=O)[O-]	ZINC000569461121	332093373	/nfs/dbraw/zinc/09/33/73/332093373.db2.gz	MXQSZBRUEBYOSZ-LLVKDONJSA-N	-1	0	321.399	0.184	20	30		DCEDRM
CCN(CC#N)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000569580382	332143448	/nfs/dbraw/zinc/14/34/48/332143448.db2.gz	AUAUWYPBSSDBJL-UHFFFAOYSA-N	-1	0	313.291	0.827	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](CC)[C@@H]1CCCO1)C(=O)[O-]	ZINC000562457311	332594926	/nfs/dbraw/zinc/59/49/26/332594926.db2.gz	HSYCCJXWDDJVSH-SRVKXCTJSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=CCCS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000417443881	334881940	/nfs/dbraw/zinc/88/19/40/334881940.db2.gz	BCCOISBOPFHNGK-MNOVXSKESA-N	-1	0	318.395	0.192	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)NCCSCC(=O)[O-])cc1	ZINC000389439818	336391379	/nfs/dbraw/zinc/39/13/79/336391379.db2.gz	GXEBZNORTWDHIU-UHFFFAOYSA-N	-1	0	314.388	0.795	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000582670063	337118957	/nfs/dbraw/zinc/11/89/57/337118957.db2.gz	MCIXJSPAEYLLQC-GMTAPVOTSA-N	-1	0	301.368	0.332	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	ZINC000583875307	337367946	/nfs/dbraw/zinc/36/79/46/337367946.db2.gz	CZSQDQQILNBZFT-LLVKDONJSA-N	-1	0	321.399	0.182	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)N(C)[C@@H](C)C1CC1)C(=O)[O-]	ZINC000564081158	337452555	/nfs/dbraw/zinc/45/25/55/337452555.db2.gz	LIWYEKIZAWFFCW-GXSJLCMTSA-N	-1	0	306.384	0.207	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)CC1	ZINC000422832114	337688372	/nfs/dbraw/zinc/68/83/72/337688372.db2.gz	XOYNOAPXUPULPT-WCQYABFASA-N	-1	0	308.378	0.980	20	30		DCEDRM
C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000422877553	337689705	/nfs/dbraw/zinc/68/97/05/337689705.db2.gz	RQLHHHTZRRDFAX-GFCCVEGCSA-N	-1	0	320.345	0.770	20	30		DCEDRM
CCC(CC)(CNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)C(=O)[O-]	ZINC000424423515	337832482	/nfs/dbraw/zinc/83/24/82/337832482.db2.gz	HTVCSBGVAKFYGL-WDEREUQCSA-N	-1	0	309.366	0.802	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CCO[C@H](C#N)C2)c1	ZINC000424657048	337943961	/nfs/dbraw/zinc/94/39/61/337943961.db2.gz	ZBJNNWGUZVLFFX-XUSGNXJCSA-N	-1	0	308.359	0.554	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)OC)c1	ZINC000496603934	340008756	/nfs/dbraw/zinc/00/87/56/340008756.db2.gz	FXTYMDOEMLDMCQ-UHFFFAOYSA-N	-1	0	310.331	0.948	20	30		DCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000546254969	341159773	/nfs/dbraw/zinc/15/97/73/341159773.db2.gz	OSEJKKTWXGHRJY-ZETCQYMHSA-N	-1	0	313.291	0.731	20	30		DCEDRM
Cc1cccc([C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-])c1	ZINC000547871692	341238615	/nfs/dbraw/zinc/23/86/15/341238615.db2.gz	GHDUWSLMLUINFN-GFCCVEGCSA-N	-1	0	311.363	0.801	20	30		DCEDRM
C[C@H](CCCCC(=O)[O-])NS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000573854499	341741285	/nfs/dbraw/zinc/74/12/85/341741285.db2.gz	SRCWWJUZPDTQAC-GHMZBOCLSA-N	-1	0	305.400	0.946	20	30		DCEDRM
C#CCOCCN(C)CC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC001602727944	1159784675	/nfs/dbraw/zinc/78/46/75/1159784675.db2.gz	HSJRIRBWVBBQMR-UHFFFAOYSA-N	-1	0	311.363	0.290	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)c[nH]1	ZINC000266414175	533924987	/nfs/dbraw/zinc/92/49/87/533924987.db2.gz	HEBYTVATHNJHJO-UHFFFAOYSA-N	-1	0	323.334	0.712	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)C[C@H]1CCCCO1)C(=O)OC	ZINC000360616964	526810988	/nfs/dbraw/zinc/81/09/88/526810988.db2.gz	CXJMGFKKTWMNCR-NEPJUHHUSA-N	-1	0	321.395	0.219	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1	ZINC000281091681	526881351	/nfs/dbraw/zinc/88/13/51/526881351.db2.gz	VIPMCMKKNIARDC-UHFFFAOYSA-N	-1	0	322.342	0.931	20	30		DCEDRM
C=CCC[C@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-]	ZINC000262987686	527475772	/nfs/dbraw/zinc/47/57/72/527475772.db2.gz	UYRIPEVWWRMJAL-ZDUSSCGKSA-N	-1	0	315.333	0.740	20	30		DCEDRM
CC(C)N1C[C@@H](/N=C(/[O-])c2cnc3n(c2=O)CCS3)CC1=O	ZINC000328704211	529085798	/nfs/dbraw/zinc/08/57/98/529085798.db2.gz	ORXWMDWXFSUPON-VIFPVBQESA-N	-1	0	322.390	0.663	20	30		DCEDRM
COCCn1cc([C@@H]2[C@H](C(=O)NO)CC(=O)N2C(C)(C)C)cn1	ZINC000671995862	547309863	/nfs/dbraw/zinc/30/98/63/547309863.db2.gz	LAXNQFSFDDTGQS-DGCLKSJQSA-N	-1	0	324.381	0.723	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC000819864657	597624839	/nfs/dbraw/zinc/62/48/39/597624839.db2.gz	ALUGOAZMHWMYDX-KGLIPLIRSA-N	-1	0	307.306	0.343	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)COc1ccccc1	ZINC000819833991	597632620	/nfs/dbraw/zinc/63/26/20/597632620.db2.gz	LJNDGGCXGZFFKH-ABAIWWIYSA-N	-1	0	306.318	0.547	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000819835960	597634355	/nfs/dbraw/zinc/63/43/55/597634355.db2.gz	YVSLXYQPOOLHTF-NHYWBVRUSA-N	-1	0	324.308	0.686	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCNC(=O)c1ccc(O)cc1	ZINC000819843043	597634929	/nfs/dbraw/zinc/63/49/29/597634929.db2.gz	XRFMLVOVHIXYFV-OAHLLOKOSA-N	-1	0	319.317	0.243	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cc2c([nH]c1=O)CCC2	ZINC000819843194	597646997	/nfs/dbraw/zinc/64/69/97/597646997.db2.gz	ZBDZJEYADSVTFD-OAHLLOKOSA-N	-1	0	303.318	0.897	20	30		DCEDRM
C[C@@H]1CN=C(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)S1	ZINC000820251950	597650193	/nfs/dbraw/zinc/65/01/93/597650193.db2.gz	SJYMYDQGWJHYAG-QMTHXVAHSA-N	-1	0	324.406	0.626	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(-n2cncn2)cc1	ZINC000819843208	598224260	/nfs/dbraw/zinc/22/42/60/598224260.db2.gz	ZHFGEFJMKGIFOH-HNNXBMFYSA-N	-1	0	313.317	0.888	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000819820886	598225460	/nfs/dbraw/zinc/22/54/60/598225460.db2.gz	AQURDVWBTWTCMJ-BDJLRTHQSA-N	-1	0	315.329	0.913	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1noc2c1CCCC2	ZINC000737705930	598532125	/nfs/dbraw/zinc/53/21/25/598532125.db2.gz	RMMVJXURWLSRPM-UHFFFAOYSA-N	-1	0	311.309	0.432	20	30		DCEDRM
C=CCNC(=O)NC(=O)COc1ccc(C(=O)[O-])cc1C=O	ZINC000736105727	599910766	/nfs/dbraw/zinc/91/07/66/599910766.db2.gz	GOCPODKDGXPNEG-UHFFFAOYSA-N	-1	0	306.274	0.588	20	30		DCEDRM
CC(C)(NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)[O-]	ZINC000736339611	600049397	/nfs/dbraw/zinc/04/93/97/600049397.db2.gz	UPNDEZKHEHHOHP-UHFFFAOYSA-N	-1	0	313.317	0.919	20	30		DCEDRM
Cc1cc(NC2CCN(CC#N)CC2)n2nc(C(=O)[O-])nc2n1	ZINC000738452218	600167303	/nfs/dbraw/zinc/16/73/03/600167303.db2.gz	LDQJFPUAWBNXJN-UHFFFAOYSA-N	-1	0	315.337	0.531	20	30		DCEDRM
C[C@H](OC(=O)CCNC(=O)[O-])C(=O)NC1(C#N)CCCCC1	ZINC000736690370	600203299	/nfs/dbraw/zinc/20/32/99/600203299.db2.gz	SMJJZRNBPMHNJW-JTQLQIEISA-N	-1	0	311.338	0.918	20	30		DCEDRM
C=C(Cl)CNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000736094696	600328844	/nfs/dbraw/zinc/32/88/44/600328844.db2.gz	RQQJTMBCVQUVEM-UHFFFAOYSA-N	-1	0	312.709	0.957	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCCNC(=O)NC1CCCCC1	ZINC000739077044	600401842	/nfs/dbraw/zinc/40/18/42/600401842.db2.gz	GOXRYRBXWSRSMM-UHFFFAOYSA-N	-1	0	324.381	0.835	20	30		DCEDRM
CSc1nc(C)c(CCC(=O)N(CC#N)CC(=O)[O-])c(=O)[nH]1	ZINC000738207546	600402088	/nfs/dbraw/zinc/40/20/88/600402088.db2.gz	GCBPAGFFRMTFAC-UHFFFAOYSA-N	-1	0	324.362	0.582	20	30		DCEDRM
Cn1cc(-c2ncc(C(=O)N(CC#N)CC(=O)[O-])s2)cn1	ZINC000739015820	600405216	/nfs/dbraw/zinc/40/52/16/600405216.db2.gz	PMXBFCODRGHPNR-UHFFFAOYSA-N	-1	0	305.319	0.594	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000736087558	600656817	/nfs/dbraw/zinc/65/68/17/600656817.db2.gz	IIABSFGVFNLPRU-UHFFFAOYSA-N	-1	0	320.370	0.735	20	30		DCEDRM
COC(=O)CN(CC#N)S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000831164405	600754636	/nfs/dbraw/zinc/75/46/36/600754636.db2.gz	NLMHSRMKZHVGCC-UHFFFAOYSA-N	-1	0	318.332	0.134	20	30		DCEDRM
CCOC(=O)c1c(C)[nH]c(C(=O)CN(CC#N)CC(=O)[O-])c1C	ZINC000829873952	601003722	/nfs/dbraw/zinc/00/37/22/601003722.db2.gz	XIRHHVKVBRWWID-UHFFFAOYSA-N	-1	0	321.333	0.901	20	30		DCEDRM
C[C@@](C#N)(NC(=O)CN1CCSC[C@H]1CC(=O)[O-])C1CC1	ZINC000825967219	601016097	/nfs/dbraw/zinc/01/60/97/601016097.db2.gz	ROJFUEBROFOBIS-RISCZKNCSA-N	-1	0	311.407	0.687	20	30		DCEDRM
N#C[C@@H]1COCCN1C[C@H](O)COc1ccc(C(=O)[O-])cc1	ZINC000833061955	601041959	/nfs/dbraw/zinc/04/19/59/601041959.db2.gz	IATDXPLSGKDZCJ-OLZOCXBDSA-N	-1	0	306.318	0.349	20	30		DCEDRM
COc1ccccc1[C@@H](C)NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832597008	601227535	/nfs/dbraw/zinc/22/75/35/601227535.db2.gz	SEQVOWUDVURCPH-LLVKDONJSA-N	-1	0	305.334	0.783	20	30		DCEDRM
C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCS1(=O)=O	ZINC000828414056	601318539	/nfs/dbraw/zinc/31/85/39/601318539.db2.gz	WQHGXTHJIBFJQT-MFKMUULPSA-N	-1	0	308.359	0.803	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000825609108	601387470	/nfs/dbraw/zinc/38/74/70/601387470.db2.gz	VDYAZFWJIKMTNO-UHFFFAOYSA-N	-1	0	313.281	0.920	20	30		DCEDRM
Cc1cc(C(=O)OCC(=O)NCC#N)cc(C)c1OCC(=O)[O-]	ZINC000832868808	601682865	/nfs/dbraw/zinc/68/28/65/601682865.db2.gz	WFARUHARWNAQAC-UHFFFAOYSA-N	-1	0	320.301	0.563	20	30		DCEDRM
CC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000828939285	601753992	/nfs/dbraw/zinc/75/39/92/601753992.db2.gz	GGGWDFDDNPTLOZ-LBPRGKRZSA-N	-1	0	324.358	0.452	20	30		DCEDRM
C[C@H](CS(=O)(=O)N(CCC#N)Cc1cccnc1)C(=O)[O-]	ZINC000827532089	601771904	/nfs/dbraw/zinc/77/19/04/601771904.db2.gz	GHMIZNZYEBNAQH-LLVKDONJSA-N	-1	0	311.363	0.848	20	30		DCEDRM
C#CCNC(=O)CN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1	ZINC000825620073	601898047	/nfs/dbraw/zinc/89/80/47/601898047.db2.gz	USTJTBRQJDDVDB-ZDUSSCGKSA-N	-1	0	314.263	0.911	20	30		DCEDRM
C#CCN1CCN(C(=O)[C@@H](CNC(=O)[O-])c2ccccc2)CC1	ZINC000823450714	602925068	/nfs/dbraw/zinc/92/50/68/602925068.db2.gz	HHBRGBBKWHMALJ-HNNXBMFYSA-N	-1	0	315.373	0.815	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000828273737	603140273	/nfs/dbraw/zinc/14/02/73/603140273.db2.gz	PBWBTJOLRONLOD-FGWVZKOKSA-N	-1	0	316.383	0.340	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CCN(C(=O)[O-])[C@H](C)C2)nc1	ZINC000823455208	603192106	/nfs/dbraw/zinc/19/21/06/603192106.db2.gz	ASRYNCWVOLSWFJ-LLVKDONJSA-N	-1	0	302.334	0.633	20	30		DCEDRM
C[C@H]1CN(c2ncnc3c2cnn3CCC#N)CCN1C(=O)[O-]	ZINC000826086685	603194546	/nfs/dbraw/zinc/19/45/46/603194546.db2.gz	ASMNDHQJBRIFCJ-JTQLQIEISA-N	-1	0	315.337	0.928	20	30		DCEDRM
CN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1ccccc1C#N	ZINC000828086010	603473604	/nfs/dbraw/zinc/47/36/04/603473604.db2.gz	NHOTZUUIZCUAIZ-LLVKDONJSA-N	-1	0	309.347	0.931	20	30		DCEDRM
CCC(CC)(CNS(=O)(=O)N(C)CCC#N)NC(=O)[O-]	ZINC000826560960	603477612	/nfs/dbraw/zinc/47/76/12/603477612.db2.gz	DXIYRVDXQIXSDQ-UHFFFAOYSA-N	-1	0	306.388	0.493	20	30		DCEDRM
C[C@H](Sc1nncn1C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825623746	603589888	/nfs/dbraw/zinc/58/98/88/603589888.db2.gz	OTRYAVYTHVQUSS-DTWKUNHWSA-N	-1	0	324.366	0.010	20	30		DCEDRM
Cc1nccn1CCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830823847	603594196	/nfs/dbraw/zinc/59/41/96/603594196.db2.gz	IKGMPUBWGMHWKQ-LBPRGKRZSA-N	-1	0	305.338	0.686	20	30		DCEDRM
CCN(CCNC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000827129990	603671747	/nfs/dbraw/zinc/67/17/47/603671747.db2.gz	NLUXQYWGNXIZRJ-UHFFFAOYSA-N	-1	0	322.296	0.752	20	30		DCEDRM
C[C@@H](CNC(=O)[O-])N(C)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000824961107	603779172	/nfs/dbraw/zinc/77/91/72/603779172.db2.gz	YCUYVZCIYNFYEO-XRNDOFNESA-N	-1	0	324.337	0.017	20	30		DCEDRM
C#CCN1CCN(C(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1	ZINC000823450855	603789330	/nfs/dbraw/zinc/78/93/30/603789330.db2.gz	JWVGXXVKFZNFNM-RYUDHWBXSA-N	-1	0	309.366	0.267	20	30		DCEDRM
CS(=O)(=O)CCNN=Cc1cccc2c1N(C(=O)[O-])CC2	ZINC000829675597	603822811	/nfs/dbraw/zinc/82/28/11/603822811.db2.gz	ZORXXQLEKWQSDK-UHFFFAOYSA-N	-1	0	311.363	0.695	20	30		DCEDRM
C[C@@](C#N)(NC(=O)CN1CCN(C(=O)[O-])CC1(C)C)C1CC1	ZINC000823647028	603912124	/nfs/dbraw/zinc/91/21/24/603912124.db2.gz	HWWJLKMDRFSSFW-HNNXBMFYSA-N	-1	0	308.382	0.869	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-]	ZINC000823444035	604032289	/nfs/dbraw/zinc/03/22/89/604032289.db2.gz	BQWMTVYDRUDESU-UHFFFAOYSA-N	-1	0	301.302	0.805	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)C1CC1	ZINC000823648291	604037601	/nfs/dbraw/zinc/03/76/01/604037601.db2.gz	SFINVZSBVPLVBH-BPYAMOTFSA-N	-1	0	323.349	0.774	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)CCCC#N)C1	ZINC000825270291	604043063	/nfs/dbraw/zinc/04/30/63/604043063.db2.gz	ADSQOJRZZOFXHY-GHMZBOCLSA-N	-1	0	303.384	0.988	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc([N+](=O)[O-])c1N	ZINC000831091659	604076705	/nfs/dbraw/zinc/07/67/05/604076705.db2.gz	JRCOIZYWYDDVMY-MRVPVSSYSA-N	-1	0	319.277	0.505	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)CC2(NC(=O)[O-])CCC2)CC1	ZINC000823455434	604130530	/nfs/dbraw/zinc/13/05/30/604130530.db2.gz	CHJAODUHQJHEMJ-UHFFFAOYSA-N	-1	0	321.377	0.555	20	30		DCEDRM
CN(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2nn(C)cc2C#N)C1	ZINC000827822549	604153662	/nfs/dbraw/zinc/15/36/62/604153662.db2.gz	LXNLRTFKAUICKK-JTQLQIEISA-N	-1	0	306.326	0.898	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])CCO1	ZINC000831075615	604200052	/nfs/dbraw/zinc/20/00/52/604200052.db2.gz	BBTLNKRSJHAJQV-IJLUTSLNSA-N	-1	0	310.354	0.747	20	30		DCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000823506646	604221114	/nfs/dbraw/zinc/22/11/14/604221114.db2.gz	JPHDAVUMVVEJEL-GHMZBOCLSA-N	-1	0	309.322	0.156	20	30		DCEDRM
C[C@@H]1CCCN(S(=O)(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)C1	ZINC000825930975	604243838	/nfs/dbraw/zinc/24/38/38/604243838.db2.gz	DVYCDRAKSRIBSL-GHMZBOCLSA-N	-1	0	316.383	0.151	20	30		DCEDRM
CN1CCN(C(=O)Cc2ccc(C#N)cc2)[C@H](CNC(=O)[O-])C1	ZINC000828501603	604401560	/nfs/dbraw/zinc/40/15/60/604401560.db2.gz	XDQLOJHFBRHDAK-CQSZACIVSA-N	-1	0	316.361	0.511	20	30		DCEDRM
C=CCSCCNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823516862	604543607	/nfs/dbraw/zinc/54/36/07/604543607.db2.gz	WYYNOTSBPYKHGL-MNOVXSKESA-N	-1	0	317.411	0.972	20	30		DCEDRM
N#Cc1c(Cn2c(=O)onc2-c2cnccn2)cccc1C(=O)[O-]	ZINC000833760878	604551901	/nfs/dbraw/zinc/55/19/01/604551901.db2.gz	HKYWNGUXIRAUQK-UHFFFAOYSA-N	-1	0	323.268	0.911	20	30		DCEDRM
CC1CC(C#N)(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC000828156062	604604004	/nfs/dbraw/zinc/60/40/04/604604004.db2.gz	BYMFIYIMMXHILS-UHFFFAOYSA-N	-1	0	308.334	0.793	20	30		DCEDRM
C=CCOCCCC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823516702	604715287	/nfs/dbraw/zinc/71/52/87/604715287.db2.gz	SIQIGHDIRJEHSH-RYUDHWBXSA-N	-1	0	300.355	0.853	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCO[C@H](C#N)C1	ZINC000832915619	604762921	/nfs/dbraw/zinc/76/29/21/604762921.db2.gz	FFAQIBAWDIPUEZ-GFCCVEGCSA-N	-1	0	303.318	0.856	20	30		DCEDRM
CC[C@@H](C)[C@H](NC(=O)CN1CCN(CCC#N)CC1)C(=O)[O-]	ZINC000833640214	604927278	/nfs/dbraw/zinc/92/72/78/604927278.db2.gz	VOPSUEZMRQUQDM-OCCSQVGLSA-N	-1	0	310.398	0.133	20	30		DCEDRM
C#CCN(C(=O)c1cncc(C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC000833365809	605032841	/nfs/dbraw/zinc/03/28/41/605032841.db2.gz	ZYFASIICBWWSHO-LBPRGKRZSA-N	-1	0	322.342	0.042	20	30		DCEDRM
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)C(=O)[O-]	ZINC000833471959	605087007	/nfs/dbraw/zinc/08/70/07/605087007.db2.gz	QGGCLUQUVHWCSL-AAEUAGOBSA-N	-1	0	306.318	0.523	20	30		DCEDRM
N#Cc1cccc(OCCCn2nnnc2CNC(=O)[O-])c1	ZINC000831152654	605173991	/nfs/dbraw/zinc/17/39/91/605173991.db2.gz	HSDKHFSXJOCVCJ-UHFFFAOYSA-N	-1	0	302.294	0.781	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000833378470	605301634	/nfs/dbraw/zinc/30/16/34/605301634.db2.gz	OKUVQGBEWMOXNB-QWRGUYRKSA-N	-1	0	303.380	0.594	20	30		DCEDRM
C=CCNC(=O)CN1CCN(C[C@H]2CC(C(=O)[O-])=C(C)O2)CC1	ZINC000833377095	605314901	/nfs/dbraw/zinc/31/49/01/605314901.db2.gz	LZWBWYCZZVXPOZ-CYBMUJFWSA-N	-1	0	323.393	0.054	20	30		DCEDRM
COCCN(CCNC(=O)NCc1cccc(C#N)c1)C(=O)[O-]	ZINC000833885686	605402970	/nfs/dbraw/zinc/40/29/70/605402970.db2.gz	JOFNRLBYSGAZOH-UHFFFAOYSA-N	-1	0	320.349	0.984	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC000833376586	605443860	/nfs/dbraw/zinc/44/38/60/605443860.db2.gz	IBVKRJJZFHELBF-UHFFFAOYSA-N	-1	0	316.335	0.121	20	30		DCEDRM
COC[C@@](C)(C#N)NC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000828885459	605444901	/nfs/dbraw/zinc/44/49/01/605444901.db2.gz	FQHGFWSWPAOHSM-JOYOIKCWSA-N	-1	0	301.368	0.517	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000828885458	605444982	/nfs/dbraw/zinc/44/49/82/605444982.db2.gz	FQHGFWSWPAOHSM-CABZTGNLSA-N	-1	0	301.368	0.517	20	30		DCEDRM
CC(C[C@H]1CCCN1C(=O)[O-])=NN[C@@H]1CCS(=O)(=O)C1	ZINC000824759176	605456999	/nfs/dbraw/zinc/45/69/99/605456999.db2.gz	JEKMKFDNIHHJNO-GHMZBOCLSA-N	-1	0	303.384	0.672	20	30		DCEDRM
C[C@H]1C[C@@H](NC(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000825846225	605537235	/nfs/dbraw/zinc/53/72/35/605537235.db2.gz	UGLDYIFJCQVIKG-UWVGGRQHSA-N	-1	0	324.362	0.762	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000833375488	605674764	/nfs/dbraw/zinc/67/47/64/605674764.db2.gz	AKNWIDNOSGJUTA-UHFFFAOYSA-N	-1	0	306.318	0.951	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000833375507	605674919	/nfs/dbraw/zinc/67/49/19/605674919.db2.gz	BKVZOASRFZOMHY-UHFFFAOYSA-N	-1	0	306.318	0.951	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833375410	605693471	/nfs/dbraw/zinc/69/34/71/605693471.db2.gz	WCQYDMJWMYDBSU-STQMWFEESA-N	-1	0	324.377	0.525	20	30		DCEDRM
Cc1onc(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1C#N	ZINC000833937281	605697774	/nfs/dbraw/zinc/69/77/74/605697774.db2.gz	WLPLWQFBIGOHMI-VIFPVBQESA-N	-1	0	303.278	0.112	20	30		DCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000833503835	605764318	/nfs/dbraw/zinc/76/43/18/605764318.db2.gz	KHMAQEZRVHSWEF-KBPBESRZSA-N	-1	0	320.345	0.928	20	30		DCEDRM
CC[C@H]1CC[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)O1	ZINC000820973522	606848454	/nfs/dbraw/zinc/84/84/54/606848454.db2.gz	XUPMUKVLSTUKFJ-POYBYMJQSA-N	-1	0	302.298	0.358	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1ccc(F)c(C#N)c1	ZINC000822819115	607009211	/nfs/dbraw/zinc/00/92/11/607009211.db2.gz	KTTLUVDEQZGAAC-UHFFFAOYSA-N	-1	0	309.268	0.576	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCC1=O	ZINC000824864311	608116811	/nfs/dbraw/zinc/11/68/11/608116811.db2.gz	AGOKIYFDZAYJCN-BQBZGAKWSA-N	-1	0	314.309	0.405	20	30		DCEDRM
Cc1cc(C)n(N=CC[C@@H]2CCOC2)c(=O)c1-c1nnn[n-]1	ZINC000826265428	608228824	/nfs/dbraw/zinc/22/88/24/608228824.db2.gz	YSBWVPWMRDPFNG-LLVKDONJSA-N	-1	0	302.338	0.906	20	30		DCEDRM
CC[C@@H]1C[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCO1	ZINC000825184646	609146606	/nfs/dbraw/zinc/14/66/06/609146606.db2.gz	XJZBSSDHPKKPKC-HTQZYQBOSA-N	-1	0	316.325	0.605	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(CCC)C2)CC1	ZINC000870837353	667765507	/nfs/dbraw/zinc/76/55/07/667765507.db2.gz	ITDYADMFSQHBGY-JTQLQIEISA-N	-1	0	300.380	0.410	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C)C#N)C[C@H]32)c1[O-]	ZINC000971837386	657846051	/nfs/dbraw/zinc/84/60/51/657846051.db2.gz	IICHHPFNYMSHOW-JMJZKYOTSA-N	-1	0	317.349	0.256	20	30		DCEDRM
C#CCN1CC([C@H](C)NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC000970736907	657850560	/nfs/dbraw/zinc/85/05/60/657850560.db2.gz	HWPDPPSDLKSHAC-VIFPVBQESA-N	-1	0	300.318	0.612	20	30		DCEDRM
C=C1CC(C)(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC000972276090	658510380	/nfs/dbraw/zinc/51/03/80/658510380.db2.gz	RGQIVXDMNKVBHV-NSHDSACASA-N	-1	0	305.382	0.899	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1	ZINC000971375458	658548988	/nfs/dbraw/zinc/54/89/88/658548988.db2.gz	AESQGOVKWJIHIO-NSHDSACASA-N	-1	0	315.337	0.057	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccn2nccc12	ZINC000892461438	658580318	/nfs/dbraw/zinc/58/03/18/658580318.db2.gz	DOSXKSVMADZRLG-GFCCVEGCSA-N	-1	0	300.318	0.809	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)OCC)CC1	ZINC000893429757	659163550	/nfs/dbraw/zinc/16/35/50/659163550.db2.gz	RBQFVLVAZRICGS-UHFFFAOYSA-N	-1	0	318.395	0.589	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc([C@@H]2CCC(=O)N2)cc1	ZINC000892882947	659498033	/nfs/dbraw/zinc/49/80/33/659498033.db2.gz	RIUWAMIMKAYATJ-LBPRGKRZSA-N	-1	0	308.359	0.883	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H]1CCC2(CCOCC2)CO1	ZINC000892883616	659498766	/nfs/dbraw/zinc/49/87/66/659498766.db2.gz	WRVQDFRFDXNCRS-GFCCVEGCSA-N	-1	0	317.407	0.984	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCc3nncn3CC2)CC1	ZINC000893035119	659692296	/nfs/dbraw/zinc/69/22/96/659692296.db2.gz	WRXVNGJVEASNNT-NSHDSACASA-N	-1	0	324.406	0.785	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)c1[O-]	ZINC000974976361	659747397	/nfs/dbraw/zinc/74/73/97/659747397.db2.gz	VJNJUVPPAKZOIB-FBIMIBRVSA-N	-1	0	317.349	0.256	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1c(C)nn2cccnc12	ZINC000727953743	662324424	/nfs/dbraw/zinc/32/44/24/662324424.db2.gz	NNXHHTMCZWXGBW-JTQLQIEISA-N	-1	0	301.306	0.123	20	30		DCEDRM
C=CCOCC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000729758432	662909349	/nfs/dbraw/zinc/90/93/49/662909349.db2.gz	KCMNXTYCDJMONT-UHFFFAOYSA-N	-1	0	310.331	0.754	20	30		DCEDRM
COc1cncc(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)c1	ZINC000899927117	663201323	/nfs/dbraw/zinc/20/13/23/663201323.db2.gz	RWPPJVKBLFGXNG-NSHDSACASA-N	-1	0	324.358	0.579	20	30		DCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)c2cncc(F)c2)C1	ZINC000899929695	663201806	/nfs/dbraw/zinc/20/18/06/663201806.db2.gz	IUUSZMOETINQFP-JTQLQIEISA-N	-1	0	312.322	0.709	20	30		DCEDRM
C#CCNC(=O)c1ccc(N(CCOC)CCC(=O)[O-])nc1	ZINC000900980000	663298729	/nfs/dbraw/zinc/29/87/29/663298729.db2.gz	VGDBUXXAECEWHV-UHFFFAOYSA-N	-1	0	305.334	0.372	20	30		DCEDRM
C=CCOCCCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC000902430004	663413805	/nfs/dbraw/zinc/41/38/05/663413805.db2.gz	BIGUGKPCQXQMQS-LBPRGKRZSA-N	-1	0	312.366	0.551	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000907014578	663660458	/nfs/dbraw/zinc/66/04/58/663660458.db2.gz	JBERSZAWDNLDOL-JTQLQIEISA-N	-1	0	313.306	0.547	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CSCCS1)C(=O)[O-]	ZINC000909002091	663778300	/nfs/dbraw/zinc/77/83/00/663778300.db2.gz	JUGAPYCMCKJZDQ-ZJUUUORDSA-N	-1	0	320.436	0.790	20	30		DCEDRM
C#CCSCCNC(=O)N(CCC)[C@@H](COC)C(=O)[O-]	ZINC000909051717	663779850	/nfs/dbraw/zinc/77/98/50/663779850.db2.gz	FLUYFUPGNICLGR-NSHDSACASA-N	-1	0	302.396	0.874	20	30		DCEDRM
C=CCO[N-]C(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C	ZINC000909285244	663791541	/nfs/dbraw/zinc/79/15/41/663791541.db2.gz	KXOWYGWBMPZPQC-YGRLFVJLSA-N	-1	0	300.355	0.981	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCN(CC(F)F)C1)C(=O)[O-]	ZINC000909770357	663800436	/nfs/dbraw/zinc/80/04/36/663800436.db2.gz	FSGGQUOKHPQQNQ-WDEREUQCSA-N	-1	0	320.336	0.736	20	30		DCEDRM
C[C@H](CC(=O)N1CC=CC1)/N=C1/NS(=O)(=O)c2ccccc21	ZINC000910008768	663834878	/nfs/dbraw/zinc/83/48/78/663834878.db2.gz	COSOLPDGGIFWBD-LLVKDONJSA-N	-1	0	319.386	0.902	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(OCCCOC)nc1)C(=O)[O-]	ZINC000910051802	663836795	/nfs/dbraw/zinc/83/67/95/663836795.db2.gz	HSHLFDKMUKGAPA-LBPRGKRZSA-N	-1	0	306.318	0.703	20	30		DCEDRM
C#CC[C@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)C(=O)[O-]	ZINC000910051986	663836818	/nfs/dbraw/zinc/83/68/18/663836818.db2.gz	KNKQIACQEGYBBM-JTQLQIEISA-N	-1	0	322.752	0.937	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-]	ZINC000910051197	663836847	/nfs/dbraw/zinc/83/68/47/663836847.db2.gz	GLOXWFYNOSCGKL-CMPLNLGQSA-N	-1	0	304.302	0.221	20	30		DCEDRM
C=CCCn1cc(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)nn1	ZINC000910483356	663891202	/nfs/dbraw/zinc/89/12/02/663891202.db2.gz	RPWVBBQRFPCHHA-CBAPKCEASA-N	-1	0	300.265	0.550	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)n1	ZINC000911720748	664102608	/nfs/dbraw/zinc/10/26/08/664102608.db2.gz	OJHUTJQEVDFGTO-QWHCGFSZSA-N	-1	0	305.334	0.497	20	30		DCEDRM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000912560775	664185893	/nfs/dbraw/zinc/18/58/93/664185893.db2.gz	VWKRFIDDRYMGQW-UHFFFAOYSA-N	-1	0	307.291	0.264	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@@H](CCSC)c2nnn[n-]2)nc1	ZINC000912859987	664238356	/nfs/dbraw/zinc/23/83/56/664238356.db2.gz	GROKZAFXKRBLOI-JTQLQIEISA-N	-1	0	302.363	0.800	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1ccc(OC)nc1	ZINC000759823426	664722887	/nfs/dbraw/zinc/72/28/87/664722887.db2.gz	IWZYOAVUONOPOC-UHFFFAOYSA-N	-1	0	300.336	0.488	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccn1)[C@H]1CCCO1	ZINC000914390420	664776862	/nfs/dbraw/zinc/77/68/62/664776862.db2.gz	BSUZRLYWXAITEJ-VXGBXAGGSA-N	-1	0	324.358	0.327	20	30		DCEDRM
CC(C)(C)CN(CCC#N)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730546904	664792107	/nfs/dbraw/zinc/79/21/07/664792107.db2.gz	JXIDVZKMPOBWEE-UHFFFAOYSA-N	-1	0	316.365	0.860	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1	ZINC000732091112	664902354	/nfs/dbraw/zinc/90/23/54/664902354.db2.gz	RUTIGJCALDVUCK-LBPRGKRZSA-N	-1	0	316.321	0.394	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccc(C(=O)OC)c1	ZINC000916870515	665097987	/nfs/dbraw/zinc/09/79/87/665097987.db2.gz	IUCYBUKYQRFVNX-ZDUSSCGKSA-N	-1	0	318.329	0.948	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2)c1	ZINC000916892928	665099377	/nfs/dbraw/zinc/09/93/77/665099377.db2.gz	SWTKPFAKBKWBLW-CQSZACIVSA-N	-1	0	312.329	0.957	20	30		DCEDRM
C#CC1(F)CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)C1	ZINC000919907977	665244724	/nfs/dbraw/zinc/24/47/24/665244724.db2.gz	CDTIZKWPEQPIRI-UHFFFAOYSA-N	-1	0	302.265	0.542	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCCCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC000943186583	666258078	/nfs/dbraw/zinc/25/80/78/666258078.db2.gz	ALDXUKHJTLDDRQ-ONGXEEELSA-N	-1	0	319.365	0.694	20	30		DCEDRM
C=C1CC(C)(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1	ZINC001003596193	666332851	/nfs/dbraw/zinc/33/28/51/666332851.db2.gz	OTCGXNKKMHQRIF-UHFFFAOYSA-N	-1	0	305.382	0.947	20	30		DCEDRM
C[C@@H](Oc1cccc(C=NNCCS(C)(=O)=O)c1)C(=O)[O-]	ZINC000733205838	666347186	/nfs/dbraw/zinc/34/71/86/666347186.db2.gz	NWPUDRJDQMRZDQ-SNVBAGLBSA-N	-1	0	314.363	0.507	20	30		DCEDRM
N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000733721001	666808120	/nfs/dbraw/zinc/80/81/20/666808120.db2.gz	FYILVZWCPPYRBJ-SZZPACECSA-N	-1	0	306.343	0.806	20	30		DCEDRM
CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)Cc2ccc(C#N)nc2)CO1	ZINC000861137307	666901106	/nfs/dbraw/zinc/90/11/06/666901106.db2.gz	OXJICAURHMFDCI-GFCCVEGCSA-N	-1	0	323.374	0.509	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000861456469	666930046	/nfs/dbraw/zinc/93/00/46/666930046.db2.gz	YGVBIHHLJRFATN-GHMZBOCLSA-N	-1	0	318.395	0.339	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)N(C)CC(F)(F)F	ZINC000788067192	666939802	/nfs/dbraw/zinc/93/98/02/666939802.db2.gz	CVFIOSSEFQHVLE-MRVPVSSYSA-N	-1	0	300.302	0.338	20	30		DCEDRM
CCCCCCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000861724467	666966733	/nfs/dbraw/zinc/96/67/33/666966733.db2.gz	PIXVLTSMDYRCBT-NSHDSACASA-N	-1	0	300.355	0.385	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2	ZINC000862184338	667026970	/nfs/dbraw/zinc/02/69/70/667026970.db2.gz	KIXIRMTXCRCDET-XHDPSFHLSA-N	-1	0	310.350	0.693	20	30		DCEDRM
O=[N+]([O-])c1ccc([O-])c(C=NN[C@H]2CCCS(=O)(=O)C2)c1	ZINC000863129599	667112918	/nfs/dbraw/zinc/11/29/18/667112918.db2.gz	MHKXXEFIPOAJKG-JTQLQIEISA-N	-1	0	313.335	0.801	20	30		DCEDRM
CCCCNC(=S)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863209449	667117450	/nfs/dbraw/zinc/11/74/50/667117450.db2.gz	KJHVWCOGEZOTDS-UHFFFAOYSA-N	-1	0	307.379	0.352	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(C)c1)C(=O)[O-]	ZINC000863407621	667140118	/nfs/dbraw/zinc/14/01/18/667140118.db2.gz	JSSBHQHXMRIEGT-GFCCVEGCSA-N	-1	0	310.331	0.577	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1ccnn1CC)C(=O)[O-]	ZINC000863420051	667141611	/nfs/dbraw/zinc/14/16/11/667141611.db2.gz	HWSKGKULWTZALQ-QMMMGPOBSA-N	-1	0	307.759	0.777	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(C#N)c2)C1	ZINC000863430101	667142992	/nfs/dbraw/zinc/14/29/92/667142992.db2.gz	QQRASFRWEOCKDY-CYBMUJFWSA-N	-1	0	310.331	0.422	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nc1	ZINC000863734485	667173908	/nfs/dbraw/zinc/17/39/08/667173908.db2.gz	RLSMLOSODXNMOC-WCQYABFASA-N	-1	0	301.346	0.992	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000863749044	667174412	/nfs/dbraw/zinc/17/44/12/667174412.db2.gz	WGBLZMFSPKSPLB-OLZOCXBDSA-N	-1	0	304.346	0.041	20	30		DCEDRM
CC1(C)CC(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1	ZINC000863935346	667195101	/nfs/dbraw/zinc/19/51/01/667195101.db2.gz	XFVDCDJTVMBFHY-UHFFFAOYSA-N	-1	0	302.334	0.640	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1	ZINC000923163199	667467239	/nfs/dbraw/zinc/46/72/39/667467239.db2.gz	OBMMEGUZKQYDRT-XJFOESAGSA-N	-1	0	309.362	0.896	20	30		DCEDRM
C#CCCS(=O)(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000867890033	667514774	/nfs/dbraw/zinc/51/47/74/667514774.db2.gz	JHIMGBHWRDQFPR-JTQLQIEISA-N	-1	0	312.313	0.482	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)C1	ZINC000923582432	667572198	/nfs/dbraw/zinc/57/21/98/667572198.db2.gz	OVDFDDDWENYEAQ-CYBMUJFWSA-N	-1	0	302.378	0.555	20	30		DCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cc(N2CCCCC2)ncn1	ZINC000868561952	667581268	/nfs/dbraw/zinc/58/12/68/667581268.db2.gz	AQWFPFJWDOJZAJ-NSHDSACASA-N	-1	0	319.365	0.577	20	30		DCEDRM
CCO[C@@H]1COCC[C@@H]1CC(=O)N[C@H]1CCCN(O)C1=O	ZINC000868562654	667581316	/nfs/dbraw/zinc/58/13/16/667581316.db2.gz	JVGYOEYUUICGMX-GRYCIOLGSA-N	-1	0	300.355	0.315	20	30		DCEDRM
CCO[C@H](C(=O)N[C@@H]1CCCN(O)C1=O)C1CCOCC1	ZINC000868562523	667581449	/nfs/dbraw/zinc/58/14/49/667581449.db2.gz	GUBZZMPGUCAKMK-NEPJUHHUSA-N	-1	0	300.355	0.315	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)ncc1C#N	ZINC000838793835	667706969	/nfs/dbraw/zinc/70/69/69/667706969.db2.gz	PCUSQSWEAUFSQD-GFCCVEGCSA-N	-1	0	323.374	0.890	20	30		DCEDRM
CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CSCC#N	ZINC000838888174	667718160	/nfs/dbraw/zinc/71/81/60/667718160.db2.gz	FYVNYNVFTZUPII-VIFPVBQESA-N	-1	0	322.408	0.421	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1CCOC[C@H]1OCC	ZINC000870330271	667731595	/nfs/dbraw/zinc/73/15/95/667731595.db2.gz	BQHXNCNBBLRJTM-NWDGAFQWSA-N	-1	0	303.380	0.287	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H]1CCOC[C@H]1OCC	ZINC000870330275	667731659	/nfs/dbraw/zinc/73/16/59/667731659.db2.gz	BQHXNCNBBLRJTM-VXGBXAGGSA-N	-1	0	303.380	0.287	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)n1ccc(C(F)(F)F)n1	ZINC000870332717	667731823	/nfs/dbraw/zinc/73/18/23/667731823.db2.gz	ZIJZZBALDUTOMS-QMMMGPOBSA-N	-1	0	323.296	0.932	20	30		DCEDRM
Cn1cc(C=NNc2cccc(C(=O)[O-])c2)c(=O)n(C)c1=O	ZINC000839383171	667744878	/nfs/dbraw/zinc/74/48/78/667744878.db2.gz	FZOWRGVMPXOFCS-UHFFFAOYSA-N	-1	0	302.290	0.228	20	30		DCEDRM
CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870693780	667752398	/nfs/dbraw/zinc/75/23/98/667752398.db2.gz	UJFMKLGLXNQELO-LBPRGKRZSA-N	-1	0	309.347	0.392	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CN(C)[C@H]2CCSC2)CC1	ZINC000870835134	667765564	/nfs/dbraw/zinc/76/55/64/667765564.db2.gz	DDFWJYYFUQTEFH-JTQLQIEISA-N	-1	0	304.437	0.588	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000871940371	667858730	/nfs/dbraw/zinc/85/87/30/667858730.db2.gz	SIHWRAFWWKQENR-UHFFFAOYSA-N	-1	0	301.295	0.452	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000871973480	667860905	/nfs/dbraw/zinc/86/09/05/667860905.db2.gz	YBOFOALBVACKNI-LBPRGKRZSA-N	-1	0	309.343	0.336	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1	ZINC000871973188	667860930	/nfs/dbraw/zinc/86/09/30/667860930.db2.gz	OIIFTUVSBGFOIG-LBPRGKRZSA-N	-1	0	323.370	0.970	20	30		DCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)o1	ZINC000747205359	667897481	/nfs/dbraw/zinc/89/74/81/667897481.db2.gz	UAZKHKIBOQFXGT-SNVBAGLBSA-N	-1	0	321.333	0.632	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnco2)c1	ZINC000747303777	667899606	/nfs/dbraw/zinc/89/96/06/667899606.db2.gz	SWLHFXUZQZQCSZ-UHFFFAOYSA-N	-1	0	323.330	0.744	20	30		DCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@@](C)(C#N)C1	ZINC000887682592	667900979	/nfs/dbraw/zinc/90/09/79/667900979.db2.gz	JQJZEVKYVBAWHX-CABZTGNLSA-N	-1	0	321.299	0.831	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CC#N)c2)c1	ZINC000747408200	667902352	/nfs/dbraw/zinc/90/23/52/667902352.db2.gz	VXYDBNRDSGTWQW-UHFFFAOYSA-N	-1	0	320.330	0.994	20	30		DCEDRM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cnn(CC#N)c1	ZINC000747407756	667902382	/nfs/dbraw/zinc/90/23/82/667902382.db2.gz	UJKZZIMATJYBGJ-UHFFFAOYSA-N	-1	0	324.322	0.107	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CCO[C@@](C)(C#N)C2)cc1=O	ZINC000887695977	667902605	/nfs/dbraw/zinc/90/26/05/667902605.db2.gz	KKICVOOAZJMCCJ-HNNXBMFYSA-N	-1	0	306.366	0.516	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)C2CC2)c(F)c1	ZINC000751421431	668001260	/nfs/dbraw/zinc/00/12/60/668001260.db2.gz	DQBXTDORZNAYAP-NSHDSACASA-N	-1	0	302.302	0.886	20	30		DCEDRM
CCCCS(=O)(=O)NCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000762075626	668345743	/nfs/dbraw/zinc/34/57/43/668345743.db2.gz	IDQPSDPSAQSYQY-UHFFFAOYSA-N	-1	0	311.363	0.922	20	30		DCEDRM
C#CCCCNS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000926511859	668410830	/nfs/dbraw/zinc/41/08/30/668410830.db2.gz	IGQVZUSJVUGVKN-UHFFFAOYSA-N	-1	0	315.322	0.981	20	30		DCEDRM
Cc1cn2ccnc(C([O-])=C(C#N)C(=O)c3nccn3C)c2n1	ZINC000764044500	668432058	/nfs/dbraw/zinc/43/20/58/668432058.db2.gz	QPIFEDJLWAGFLK-JTQLQIEISA-N	-1	0	308.301	0.977	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)c1cocn1	ZINC000766981020	668555236	/nfs/dbraw/zinc/55/52/36/668555236.db2.gz	CSJLBWOGEXSFJO-UHFFFAOYSA-N	-1	0	307.287	0.674	20	30		DCEDRM
CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2OC)COC1	ZINC000766981685	668556068	/nfs/dbraw/zinc/55/60/68/668556068.db2.gz	ZIFGYXLHKUPGSQ-UHFFFAOYSA-N	-1	0	324.358	0.798	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)c1cnn(C)c1	ZINC000766983204	668556282	/nfs/dbraw/zinc/55/62/82/668556282.db2.gz	VSKHGAYLMYLGDN-UHFFFAOYSA-N	-1	0	320.330	0.419	20	30		DCEDRM
O=C([O-])Cn1cc(C=NNC(=S)Nc2ccccc2F)nn1	ZINC000768475958	668611275	/nfs/dbraw/zinc/61/12/75/668611275.db2.gz	FZPCYMGUMXEFHD-UHFFFAOYSA-N	-1	0	322.325	0.822	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccnc1OCCOC	ZINC000772724461	668782578	/nfs/dbraw/zinc/78/25/78/668782578.db2.gz	ZOPXJCIFRWNSFD-UHFFFAOYSA-N	-1	0	300.336	0.352	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000778676801	668902545	/nfs/dbraw/zinc/90/25/45/668902545.db2.gz	NDAIKGVNNJFYLQ-UHFFFAOYSA-N	-1	0	306.278	0.606	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCCOC2)CCCC1	ZINC000779314166	668909552	/nfs/dbraw/zinc/90/95/52/668909552.db2.gz	ASFCAWWHUWBWCQ-NSHDSACASA-N	-1	0	300.380	0.943	20	30		DCEDRM
CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779320334	668909811	/nfs/dbraw/zinc/90/98/11/668909811.db2.gz	VXCNYRNKGOCCNS-QWRGUYRKSA-N	-1	0	300.380	0.941	20	30		DCEDRM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC/C=C/C(=O)[O-]	ZINC000788444283	668910462	/nfs/dbraw/zinc/91/04/62/668910462.db2.gz	AAMZRKGJYWJZJA-GORDUTHDSA-N	-1	0	311.275	0.386	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1	ZINC000780992628	669025135	/nfs/dbraw/zinc/02/51/35/669025135.db2.gz	AGPSALXESWNEIO-CHWSQXEVSA-N	-1	0	312.333	0.511	20	30		DCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)on1	ZINC000781447752	669043931	/nfs/dbraw/zinc/04/39/31/669043931.db2.gz	KVZDNTBGVPFLMY-VIFPVBQESA-N	-1	0	305.290	0.842	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)no1	ZINC000781449850	669044356	/nfs/dbraw/zinc/04/43/56/669044356.db2.gz	WHYUCZPAMVANOP-SECBINFHSA-N	-1	0	323.305	0.326	20	30		DCEDRM
C=CC[C@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)c1ccccc1	ZINC000781733542	669059307	/nfs/dbraw/zinc/05/93/07/669059307.db2.gz	ANXFPDSLJFUCNM-LBPRGKRZSA-N	-1	0	320.374	0.980	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000781840164	669064543	/nfs/dbraw/zinc/06/45/43/669064543.db2.gz	LILIBECXBQNBJX-UHFFFAOYSA-N	-1	0	318.282	0.741	20	30		DCEDRM
Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NO)cn1	ZINC000782172827	669083123	/nfs/dbraw/zinc/08/31/23/669083123.db2.gz	BUBRWTAIIMVUEB-UHFFFAOYSA-N	-1	0	302.337	0.401	20	30		DCEDRM
COC1(C(=O)OCc2cc(=O)n3[n-]cc(C#N)c3n2)CCC1	ZINC000784626792	669214675	/nfs/dbraw/zinc/21/46/75/669214675.db2.gz	DBRUAGSOYXPPSD-UHFFFAOYSA-N	-1	0	302.290	0.919	20	30		DCEDRM
C=C(C)COc1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1	ZINC000785389658	669252538	/nfs/dbraw/zinc/25/25/38/669252538.db2.gz	UTJPWNJHIULCSD-UHFFFAOYSA-N	-1	0	307.306	0.113	20	30		DCEDRM
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000880830387	669272335	/nfs/dbraw/zinc/27/23/35/669272335.db2.gz	LQKYZQHTSSYWEH-GHORINQJSA-N	-1	0	314.345	0.496	20	30		DCEDRM
C=CCNC(=O)c1cccc(S(=O)(=O)NC/C=C\C(=O)[O-])c1	ZINC000788447228	669440036	/nfs/dbraw/zinc/44/00/36/669440036.db2.gz	QRTNHLDGRRPDNE-DAXSKMNVSA-N	-1	0	324.358	0.522	20	30		DCEDRM
C#CCOCC[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1	ZINC000882061937	669451073	/nfs/dbraw/zinc/45/10/73/669451073.db2.gz	WFPLRXGCGBPUOR-LJQANCHMSA-N	-1	0	322.452	0.901	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)c(C)c1	ZINC000791110804	669594061	/nfs/dbraw/zinc/59/40/61/669594061.db2.gz	XKGLPTUDDIHYNO-UHFFFAOYSA-N	-1	0	318.358	0.659	20	30		DCEDRM
Cc1nnc(NN=Cc2cnnn2Cc2ccccc2)[n-]c1=O	ZINC000792917146	669692107	/nfs/dbraw/zinc/69/21/07/669692107.db2.gz	ILFKXJNCFILKGQ-UHFFFAOYSA-N	-1	0	310.321	0.971	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)CC1OCCCO1	ZINC000793114051	669702095	/nfs/dbraw/zinc/70/20/95/669702095.db2.gz	XQTLQIWWKIYDCA-UHFFFAOYSA-N	-1	0	324.358	0.657	20	30		DCEDRM
C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793212752	669707977	/nfs/dbraw/zinc/70/79/77/669707977.db2.gz	UPAUMFCLVWEBQW-QWRGUYRKSA-N	-1	0	316.379	0.320	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H](C)NC(=O)C1CCCC1	ZINC000132770518	669746982	/nfs/dbraw/zinc/74/69/82/669746982.db2.gz	POURXQNWRVMIPH-JTQLQIEISA-N	-1	0	302.396	0.703	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000793951745	669758242	/nfs/dbraw/zinc/75/82/42/669758242.db2.gz	SOOKZTBSQTZBFQ-ZDUSSCGKSA-N	-1	0	312.333	0.404	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)[nH]1	ZINC000796739797	669941689	/nfs/dbraw/zinc/94/16/89/669941689.db2.gz	FXSYEYMYIWFNAD-SNVBAGLBSA-N	-1	0	321.333	0.667	20	30		DCEDRM
Cn1cc(C(=O)CCC(=O)[N-]S(=O)(=O)CCCC#N)cn1	ZINC000796813002	669943214	/nfs/dbraw/zinc/94/32/14/669943214.db2.gz	RNISTYXPVAVFSS-UHFFFAOYSA-N	-1	0	312.351	0.133	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCCOC[C@@H]1CCCO1	ZINC000797704605	669973459	/nfs/dbraw/zinc/97/34/59/669973459.db2.gz	ISYOVODJDYJHMN-LBPRGKRZSA-N	-1	0	300.355	0.854	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000798036007	669984279	/nfs/dbraw/zinc/98/42/79/669984279.db2.gz	CZQAWJDWZTUPHK-ZWNOBZJWSA-N	-1	0	317.349	0.169	20	30		DCEDRM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000802153655	670152681	/nfs/dbraw/zinc/15/26/81/670152681.db2.gz	LRZUXMCVCZWOKA-BDAKNGLRSA-N	-1	0	304.368	0.570	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccn(CC(F)F)n1	ZINC000192886546	670200394	/nfs/dbraw/zinc/20/03/94/670200394.db2.gz	RDUKZGZSNMSWQB-UHFFFAOYSA-N	-1	0	306.294	0.512	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000803003208	670232707	/nfs/dbraw/zinc/23/27/07/670232707.db2.gz	VTVSZEKYWPEYHW-NWDGAFQWSA-N	-1	0	305.396	0.840	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1nnn(-c2ccc(OC)cc2)c1C	ZINC000193644786	670321973	/nfs/dbraw/zinc/32/19/73/670321973.db2.gz	WFLDCRQSRLJNBH-GFCCVEGCSA-N	-1	0	313.317	0.653	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnn(CCF)c2)cc1	ZINC000808975951	670433123	/nfs/dbraw/zinc/43/31/23/670433123.db2.gz	DZTQNRAKFHPJBK-UHFFFAOYSA-N	-1	0	322.321	0.843	20	30		DCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2ccc(O)c(C(=O)[O-])c2)c1=O	ZINC000809158646	670441867	/nfs/dbraw/zinc/44/18/67/670441867.db2.gz	VPYCJHNQJOBFRQ-HYXAFXHYSA-N	-1	0	316.269	0.786	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cc1F	ZINC000810403773	670484216	/nfs/dbraw/zinc/48/42/16/670484216.db2.gz	ZFAZCHUITHAGDT-SECBINFHSA-N	-1	0	307.281	0.720	20	30		DCEDRM
C=CCN1CC(N(CC)C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC000952422287	670491679	/nfs/dbraw/zinc/49/16/79/670491679.db2.gz	AAUOMSKSBKRMFN-UHFFFAOYSA-N	-1	0	301.350	0.355	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000810662695	670492699	/nfs/dbraw/zinc/49/26/99/670492699.db2.gz	NUEYPUBXYDKTBE-CQSZACIVSA-N	-1	0	307.371	0.835	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCn1c(C)cc(=O)cc1C	ZINC000810775315	670496906	/nfs/dbraw/zinc/49/69/06/670496906.db2.gz	ASGPTGXDPKHYNF-UHFFFAOYSA-N	-1	0	324.402	0.715	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000810827215	670498637	/nfs/dbraw/zinc/49/86/37/670498637.db2.gz	LIHGMFPIBDICEZ-UHFFFAOYSA-N	-1	0	303.340	0.353	20	30		DCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000847648612	670585755	/nfs/dbraw/zinc/58/57/55/670585755.db2.gz	VVRPKLMJOYTHKY-BXUZGUMPSA-N	-1	0	322.386	0.972	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000812781658	670594830	/nfs/dbraw/zinc/59/48/30/670594830.db2.gz	BKWXBMQYYNFUMB-VIFPVBQESA-N	-1	0	323.330	0.942	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O	ZINC000812787170	670596769	/nfs/dbraw/zinc/59/67/69/670596769.db2.gz	GEFPYPFDMVKXEG-LBPRGKRZSA-N	-1	0	318.251	0.299	20	30		DCEDRM
CO[C@@](C)(C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C1CC1	ZINC000813085979	670609829	/nfs/dbraw/zinc/60/98/29/670609829.db2.gz	JFNJGSUEPXFADH-GFCCVEGCSA-N	-1	0	300.380	0.941	20	30		DCEDRM
C#C[C@H](CO)NC(=O)c1ccccc1[N-]S(=O)(=O)CCC	ZINC000854769047	670628265	/nfs/dbraw/zinc/62/82/65/670628265.db2.gz	FHCUZDWZQMJGRL-LLVKDONJSA-N	-1	0	310.375	0.562	20	30		DCEDRM
CC(C)OCCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813979753	670666328	/nfs/dbraw/zinc/66/63/28/670666328.db2.gz	BRCMINICLVKPDY-UHFFFAOYSA-N	-1	0	311.363	0.963	20	30		DCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)c1	ZINC000813980507	670667239	/nfs/dbraw/zinc/66/72/39/670667239.db2.gz	BUVYSPNOFWBBQX-UHFFFAOYSA-N	-1	0	312.310	0.944	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCc2ccccn2)c1	ZINC000813982503	670667399	/nfs/dbraw/zinc/66/73/99/670667399.db2.gz	LHYKFNSDPKJWIO-UHFFFAOYSA-N	-1	0	316.342	0.786	20	30		DCEDRM
Cc1c(CC(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)cnn1C	ZINC000813980215	670667603	/nfs/dbraw/zinc/66/76/03/670667603.db2.gz	WIIFJLPGQIRGDP-UHFFFAOYSA-N	-1	0	319.346	0.043	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2ccnc(C#N)c2)c1	ZINC000813980756	670667767	/nfs/dbraw/zinc/66/77/67/670667767.db2.gz	LMPILEXYSKTKAM-UHFFFAOYSA-N	-1	0	313.298	0.339	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000813991062	670670738	/nfs/dbraw/zinc/67/07/38/670670738.db2.gz	URVBXHLVUSEQEI-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-]	ZINC000849218039	670765238	/nfs/dbraw/zinc/76/52/38/670765238.db2.gz	MXKXEVXLBYWNKV-NSHDSACASA-N	-1	0	306.384	0.351	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1csc(C(=O)OC)c1	ZINC000849218889	670765878	/nfs/dbraw/zinc/76/58/78/670765878.db2.gz	ASZHIKKFHXBGFX-UHFFFAOYSA-N	-1	0	317.344	0.243	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC2CC2)cc1	ZINC000849218838	670766016	/nfs/dbraw/zinc/76/60/16/670766016.db2.gz	KGLHEYCOUHWXSW-UHFFFAOYSA-N	-1	0	309.343	0.936	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1	ZINC000815948789	670774685	/nfs/dbraw/zinc/77/46/85/670774685.db2.gz	UUNBHJVWJGZOPC-ZDUSSCGKSA-N	-1	0	323.374	0.473	20	30		DCEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)cn1	ZINC000816011095	670779777	/nfs/dbraw/zinc/77/97/77/670779777.db2.gz	GKVUHZNNDJKQHI-UHFFFAOYSA-N	-1	0	309.347	0.979	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nn(C)cc1Br	ZINC000816056601	670783934	/nfs/dbraw/zinc/78/39/34/670783934.db2.gz	ZDJJGBFUZRYMQQ-UHFFFAOYSA-N	-1	0	320.168	0.266	20	30		DCEDRM
CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N	ZINC000816128671	670788901	/nfs/dbraw/zinc/78/89/01/670788901.db2.gz	RVVFGNBVPHSTOJ-ZETCQYMHSA-N	-1	0	313.291	0.306	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1=COCC1	ZINC000816128853	670789189	/nfs/dbraw/zinc/78/91/89/670789189.db2.gz	ZCDABHHLXMWPOG-UHFFFAOYSA-N	-1	0	323.286	0.576	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)C[C@H](OC)C1CCCC1)C(=O)OC	ZINC000849398029	670789392	/nfs/dbraw/zinc/78/93/92/670789392.db2.gz	JBLCXDSVNQOPDD-OLZOCXBDSA-N	-1	0	317.407	0.676	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000109184920	670896561	/nfs/dbraw/zinc/89/65/61/670896561.db2.gz	QDFBMAXUBJZESR-SNVBAGLBSA-N	-1	0	314.261	0.244	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000850733965	670936894	/nfs/dbraw/zinc/93/68/94/670936894.db2.gz	BAFFXLPRJPXHDJ-VIFPVBQESA-N	-1	0	320.334	0.017	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000850732353	670936916	/nfs/dbraw/zinc/93/69/16/670936916.db2.gz	DKLNFPLXFXPSGD-VIFPVBQESA-N	-1	0	310.331	0.812	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCOC1	ZINC000850732548	670936929	/nfs/dbraw/zinc/93/69/29/670936929.db2.gz	ASFMLRWMXMIWSL-YPMHNXCESA-N	-1	0	324.358	0.415	20	30		DCEDRM
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c(F)c1	ZINC000817882932	670949813	/nfs/dbraw/zinc/94/98/13/670949813.db2.gz	JZDGOQXGOMZENB-VIFPVBQESA-N	-1	0	322.267	0.818	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000850936518	670955566	/nfs/dbraw/zinc/95/55/66/670955566.db2.gz	YGLKWUAYQHNUNP-NEPJUHHUSA-N	-1	0	318.395	0.082	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000850933842	670955759	/nfs/dbraw/zinc/95/57/59/670955759.db2.gz	JVBVRDMOUYIQAP-VXGBXAGGSA-N	-1	0	318.395	0.082	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1COC[C@H]1c1ccccc1	ZINC000851015268	670961126	/nfs/dbraw/zinc/96/11/26/670961126.db2.gz	BWMUTQOUMLJNIC-STQMWFEESA-N	-1	0	308.359	0.776	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](OC)[C@H]2CCOC2)CC1	ZINC000851032561	670963011	/nfs/dbraw/zinc/96/30/11/670963011.db2.gz	UIWCDRIHRBVQSQ-WDEREUQCSA-N	-1	0	303.380	0.593	20	30		DCEDRM
COCC1(S(=O)(=O)[N-]C(=O)CC2(C#N)CCOCC2)CC1	ZINC000851034785	670963201	/nfs/dbraw/zinc/96/32/01/670963201.db2.gz	VJXDRFPVINYZDL-UHFFFAOYSA-N	-1	0	316.379	0.322	20	30		DCEDRM
COc1cc(CS(=O)(=O)[N-]C(=O)CSCC#N)sn1	ZINC000851433711	670987904	/nfs/dbraw/zinc/98/79/04/670987904.db2.gz	CVFDDQWZGSXROF-UHFFFAOYSA-N	-1	0	321.405	0.354	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1OC	ZINC000851505096	670994735	/nfs/dbraw/zinc/99/47/35/670994735.db2.gz	SKZFFOVCZGGFMW-UHFFFAOYSA-N	-1	0	303.311	0.842	20	30		DCEDRM
C[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000852757707	671158358	/nfs/dbraw/zinc/15/83/58/671158358.db2.gz	HZMLHXJSSDFLRW-BDAKNGLRSA-N	-1	0	306.288	0.015	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000820064901	671161077	/nfs/dbraw/zinc/16/10/77/671161077.db2.gz	OSNBBMAAJOOOJX-JTQLQIEISA-N	-1	0	317.370	0.186	20	30		DCEDRM
O=C(Cc1cc(Cl)cc2c1OCC2)N[C@H]1CCN(O)C1=O	ZINC000820148443	671172314	/nfs/dbraw/zinc/17/23/14/671172314.db2.gz	GHSSOFIUYANEIF-NSHDSACASA-N	-1	0	310.737	0.924	20	30		DCEDRM
CCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@H](C)C(=O)[O-]	ZINC000852954667	671199922	/nfs/dbraw/zinc/19/99/22/671199922.db2.gz	OLFIRRCLMPGEMO-TWLKNAOBSA-N	-1	0	309.322	0.225	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cn(C2CC2)nn1	ZINC000860461616	671210801	/nfs/dbraw/zinc/21/08/01/671210801.db2.gz	KCPNLTIEZRETPE-LLVKDONJSA-N	-1	0	305.338	0.478	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnc2c(c1)NC(=O)CN2C	ZINC000860472751	671211950	/nfs/dbraw/zinc/21/19/50/671211950.db2.gz	MVWXHFFEYMQPGR-SNVBAGLBSA-N	-1	0	315.333	0.317	20	30		DCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000860892675	671248351	/nfs/dbraw/zinc/24/83/51/671248351.db2.gz	WKKCQKIDWCSPDE-JTQLQIEISA-N	-1	0	306.384	0.424	20	30		DCEDRM
C#C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)[C@@H]1CCCO1	ZINC000860943062	671252263	/nfs/dbraw/zinc/25/22/63/671252263.db2.gz	QIXRGHQPKDPUPB-RYUDHWBXSA-N	-1	0	323.374	0.364	20	30		DCEDRM
C#CCNC(=O)COC(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1	ZINC000823456571	671395333	/nfs/dbraw/zinc/39/53/33/671395333.db2.gz	NTBOVWLTXFVSNN-NSHDSACASA-N	-1	0	310.350	0.695	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824058104	671417992	/nfs/dbraw/zinc/41/79/92/671417992.db2.gz	WELDGXKZTIPCEF-RISCZKNCSA-N	-1	0	307.354	0.229	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824058102	671418001	/nfs/dbraw/zinc/41/80/01/671418001.db2.gz	WELDGXKZTIPCEF-BXUZGUMPSA-N	-1	0	307.354	0.229	20	30		DCEDRM
C#CC[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000824868552	671442533	/nfs/dbraw/zinc/44/25/33/671442533.db2.gz	BSPNRJJGILWVOK-LLVKDONJSA-N	-1	0	300.318	0.082	20	30		DCEDRM
C[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(C#N)c1-c1nn[nH]n1	ZINC000824935371	671444339	/nfs/dbraw/zinc/44/43/39/671444339.db2.gz	AHOOLDPBIWFWHN-NXEZZACHSA-N	-1	0	314.353	0.630	20	30		DCEDRM
CC(=O)Nc1cccc(NC(=O)CN(CC#N)CC(=O)[O-])c1	ZINC000825913560	671474913	/nfs/dbraw/zinc/47/49/13/671474913.db2.gz	UJSPLFKPYLZRGT-UHFFFAOYSA-N	-1	0	304.306	0.494	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@@H]3CSC[C@@H]3C2)c(=O)[n-]c1=O	ZINC000827093575	671513962	/nfs/dbraw/zinc/51/39/62/671513962.db2.gz	INRGORSPKBYGRS-KOLCDFICSA-N	-1	0	320.374	0.032	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)c2cc(=O)n(C)[n-]2)n1	ZINC000834704951	671776854	/nfs/dbraw/zinc/77/68/54/671776854.db2.gz	BVDBXFVHNAWUIX-UHFFFAOYSA-N	-1	0	317.349	0.244	20	30		DCEDRM
COC[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CCOC1	ZINC000835032141	671786549	/nfs/dbraw/zinc/78/65/49/671786549.db2.gz	QZFWERCSZFJVSG-CQSZACIVSA-N	-1	0	324.358	0.416	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000835031055	671786662	/nfs/dbraw/zinc/78/66/62/671786662.db2.gz	JJVWJGAEBJIKBK-NSHDSACASA-N	-1	0	309.343	0.732	20	30		DCEDRM
C[C@H](Oc1ccccn1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000835277135	671792395	/nfs/dbraw/zinc/79/23/95/671792395.db2.gz	XFUBWLDBWDZZIB-JTQLQIEISA-N	-1	0	311.363	0.845	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H]1COc2ccccc2O1	ZINC000835371047	671794578	/nfs/dbraw/zinc/79/45/78/671794578.db2.gz	DXZANUSIGVMVSG-NSHDSACASA-N	-1	0	309.343	0.686	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)C[C@@H]1COc2ccccc2O1	ZINC000835409214	671795476	/nfs/dbraw/zinc/79/54/76/671795476.db2.gz	FRIMVEAJCDLUQH-SNVBAGLBSA-N	-1	0	310.331	0.576	20	30		DCEDRM
COc1ccc2c(c1)C[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)CO2	ZINC000835412711	671795798	/nfs/dbraw/zinc/79/57/98/671795798.db2.gz	VRDFEJKSRHHFHW-LLVKDONJSA-N	-1	0	324.358	0.606	20	30		DCEDRM
CCCN1C[C@H](C(=O)C(C#N)=C([O-])c2nccn2C)CC1=O	ZINC000842323625	672005551	/nfs/dbraw/zinc/00/55/51/672005551.db2.gz	NMKLRCUFSLHENV-MNOVXSKESA-N	-1	0	302.334	0.570	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC(Cn2c(=O)[n-]cc(C#N)c2=O)C1	ZINC000842613507	672021580	/nfs/dbraw/zinc/02/15/80/672021580.db2.gz	AMUKDCRAPXHJBX-UHFFFAOYSA-N	-1	0	306.322	0.275	20	30		DCEDRM
CC(C)Cn1nccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000842755497	672034129	/nfs/dbraw/zinc/03/41/29/672034129.db2.gz	ZWNBMMWSJMAKMQ-UHFFFAOYSA-N	-1	0	310.379	0.902	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2cnn3ccccc23)CC1	ZINC000842753746	672034183	/nfs/dbraw/zinc/03/41/83/672034183.db2.gz	IWWWOQGUIVADFS-UHFFFAOYSA-N	-1	0	318.358	0.627	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])CC1	ZINC000844790971	672202873	/nfs/dbraw/zinc/20/28/73/672202873.db2.gz	CVPNYUGBGHLTFT-SNVBAGLBSA-N	-1	0	302.352	0.186	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844815343	672204718	/nfs/dbraw/zinc/20/47/18/672204718.db2.gz	LSONAPVXCXQXLC-NSHDSACASA-N	-1	0	313.379	0.265	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc2n1[C@H](C)CCC2	ZINC000845439987	672248288	/nfs/dbraw/zinc/24/82/88/672248288.db2.gz	BSNQDRPQEHSQBH-GHMZBOCLSA-N	-1	0	304.350	0.865	20	30		DCEDRM
Cc1nn(CC2CC2)c(C)c1CC(=O)[N-]S(=O)(=O)CCC#N	ZINC000845559347	672261681	/nfs/dbraw/zinc/26/16/81/672261681.db2.gz	BNPCXEXIZJQATA-UHFFFAOYSA-N	-1	0	324.406	0.812	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1c(C)nn(CCOC)c1C	ZINC000846145469	672297603	/nfs/dbraw/zinc/29/76/03/672297603.db2.gz	FSSNRAHRYXGCSZ-UHFFFAOYSA-N	-1	0	310.354	0.709	20	30		DCEDRM
CCON(C)C(=O)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000846503008	672320639	/nfs/dbraw/zinc/32/06/39/672320639.db2.gz	RCGXZXIIDSWNCB-UHFFFAOYSA-N	-1	0	324.362	0.520	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CNS(=O)(=O)c1ccccc1F	ZINC000846541383	672326483	/nfs/dbraw/zinc/32/64/83/672326483.db2.gz	VGFXICBQPRAPKG-UHFFFAOYSA-N	-1	0	302.327	0.728	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1)n1cnc(C#N)n1	ZINC000798814885	685346634	/nfs/dbraw/zinc/34/66/34/685346634.db2.gz	ZUALJLNYXNQAQA-SNVBAGLBSA-N	-1	0	319.346	0.357	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCc2cnn(C)c2C1	ZINC000798843659	685346754	/nfs/dbraw/zinc/34/67/54/685346754.db2.gz	KEUDTXIIFZVUMI-CMPLNLGQSA-N	-1	0	311.345	0.850	20	30		DCEDRM
CC[C@H](C)C[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000844785977	685368718	/nfs/dbraw/zinc/36/87/18/685368718.db2.gz	FDBSTZJDTNTTMC-DCAQKATOSA-N	-1	0	305.400	0.802	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)CSCC(=O)[O-])C(=O)OCC	ZINC000902268594	685453443	/nfs/dbraw/zinc/45/34/43/685453443.db2.gz	LKYDZHPFHVEFGE-QMMMGPOBSA-N	-1	0	309.771	0.995	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)cc1	ZINC000961447347	688621038	/nfs/dbraw/zinc/62/10/38/688621038.db2.gz	ZYOQDKVDEPYCQV-NHAGDIPZSA-N	-1	0	323.356	0.352	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)c1[O-]	ZINC001008048839	690792301	/nfs/dbraw/zinc/79/23/01/690792301.db2.gz	PUWUJIQIMMBZMN-WPRPVWTQSA-N	-1	0	319.365	0.550	20	30		DCEDRM
C#CCCN1CCO[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21	ZINC001074219900	694843652	/nfs/dbraw/zinc/84/36/52/694843652.db2.gz	YURGAKPOGANVJO-OLZOCXBDSA-N	-1	0	318.377	0.362	20	30		DCEDRM
O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1COCCN1CC(F)(F)F	ZINC000329288419	1158093743	/nfs/dbraw/zinc/09/37/43/1158093743.db2.gz	PSACKTGGNSXOMQ-LURJTMIESA-N	-1	0	309.248	0.230	20	30		DCEDRM
CCn1ccc(CN(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001447705810	1159686568	/nfs/dbraw/zinc/68/65/68/1159686568.db2.gz	FEXPZRLHOVRXKO-UHFFFAOYSA-N	-1	0	315.333	0.301	20	30		DCEDRM
C=C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)[O-]	ZINC001609287434	1159816055	/nfs/dbraw/zinc/81/60/55/1159816055.db2.gz	QEQQKGJTZWLFNQ-JGVFFNPUSA-N	-1	0	318.376	0.778	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)CCC(F)(F)F)C(=O)[O-]	ZINC001609452217	1159817162	/nfs/dbraw/zinc/81/71/62/1159817162.db2.gz	ACJYGZLVVAVUHQ-ZETCQYMHSA-N	-1	0	305.274	0.514	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](CCC)S(N)(=O)=O)C(=O)[O-]	ZINC001573308518	1161561041	/nfs/dbraw/zinc/56/10/41/1161561041.db2.gz	YMLPWXWUNJQOBI-SFYZADRCSA-N	-1	0	312.775	0.156	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)CCC(=O)[O-])C(=O)OCC	ZINC001573307522	1163412438	/nfs/dbraw/zinc/41/24/38/1163412438.db2.gz	KHJKNFOPFISLSB-MRVPVSSYSA-N	-1	0	313.759	0.455	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C(=O)[O-]	ZINC001573306715	1163412857	/nfs/dbraw/zinc/41/28/57/1163412857.db2.gz	DJXWUCQVWIJQRI-RXMQYKEDSA-N	-1	0	317.685	0.222	20	30		DCEDRM
CC(=O)N[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)C(C)(C)C	ZINC001573436355	1163435236	/nfs/dbraw/zinc/43/52/36/1163435236.db2.gz	MWOKADXLTBLYRT-LLVKDONJSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC001573476962	1163446092	/nfs/dbraw/zinc/44/60/92/1163446092.db2.gz	QSMSBPJHILBPCY-CYBMUJFWSA-N	-1	0	318.395	0.727	20	30		DCEDRM
C[C@@H](NC(=O)[C@@H](C)NC(=O)Nc1cc(CC#N)ccn1)C(=O)[O-]	ZINC001573551685	1163490954	/nfs/dbraw/zinc/49/09/54/1163490954.db2.gz	BJXIDCPZFMARGR-RKDXNWHRSA-N	-1	0	319.321	0.247	20	30		DCEDRM
C[C@@]1(C#N)CN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)CCO1	ZINC001573589898	1163511333	/nfs/dbraw/zinc/51/13/33/1163511333.db2.gz	KMJMMRJBZLVQNT-CQSZACIVSA-N	-1	0	315.289	0.182	20	30		DCEDRM
CCn1cc(C(=O)[O-])c(NC(=O)N(CCC#N)CCOC)n1	ZINC001573847667	1163567281	/nfs/dbraw/zinc/56/72/81/1163567281.db2.gz	ZGXNTSGUPYIPAZ-UHFFFAOYSA-N	-1	0	309.326	0.995	20	30		DCEDRM
C[S@](=O)C1(C(=O)[O-])CCN(C(=O)c2cccc(C#N)n2)CC1	ZINC001574096890	1163634001	/nfs/dbraw/zinc/63/40/01/1163634001.db2.gz	GOLPLWLYJMYIJU-QFIPXVFZSA-N	-1	0	321.358	0.391	20	30		DCEDRM
Cc1c(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])cnn1CCC#N	ZINC001574114636	1163639603	/nfs/dbraw/zinc/63/96/03/1163639603.db2.gz	XASKBWQARYDFMD-WCQYABFASA-N	-1	0	320.349	0.857	20	30		DCEDRM
Cc1cc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)ncc1C#N	ZINC001574141922	1163647285	/nfs/dbraw/zinc/64/72/85/1163647285.db2.gz	WDXZYYHXKSILNI-QWRGUYRKSA-N	-1	0	319.321	0.354	20	30		DCEDRM
Cc1nc(C#N)cc(N2CCC(C(=O)NCC(=O)[O-])CC2)n1	ZINC001574182901	1163655290	/nfs/dbraw/zinc/65/52/90/1163655290.db2.gz	SVXSIYOOKPNPBV-UHFFFAOYSA-N	-1	0	303.322	0.074	20	30		DCEDRM
Cc1nn(C)cc1CC(=O)Nc1c(C(=O)[O-])cnn1CCC#N	ZINC001574199039	1163660956	/nfs/dbraw/zinc/66/09/56/1163660956.db2.gz	SZKAZFRZQXRYTK-UHFFFAOYSA-N	-1	0	316.321	0.718	20	30		DCEDRM
N#Cc1ccc(NC(=O)NC[C@]2(C(=O)[O-])CCCOC2)nc1	ZINC001574250364	1163675819	/nfs/dbraw/zinc/67/58/19/1163675819.db2.gz	ZYAXGQBLUMFCPM-CQSZACIVSA-N	-1	0	304.306	0.956	20	30		DCEDRM
COC[C@@]1(CO)CCN(c2c(C#N)cccc2-c2nn[nH]n2)C1	ZINC001579746989	1165385267	/nfs/dbraw/zinc/38/52/67/1165385267.db2.gz	LKWYSTJZQHUGPE-HNNXBMFYSA-N	-1	0	314.349	0.574	20	30		DCEDRM
COc1ccc(CCNc2cnc(C#N)c(-c3nnn[n-]3)n2)cn1	ZINC001579996389	1165466030	/nfs/dbraw/zinc/46/60/30/1165466030.db2.gz	ZSKWFLYIXJCLBE-UHFFFAOYSA-N	-1	0	323.320	0.587	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N([C@H](C)C#N)C1CC1	ZINC001580596471	1165650417	/nfs/dbraw/zinc/65/04/17/1165650417.db2.gz	UWELZHSNUQGYKV-MRVPVSSYSA-N	-1	0	313.321	0.792	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H]2CNC(=O)C#CC2CC2)c1[O-]	ZINC001581248759	1165805232	/nfs/dbraw/zinc/80/52/32/1165805232.db2.gz	HBEOWBQKTHZNKL-GFCCVEGCSA-N	-1	0	316.361	0.558	20	30		DCEDRM
Cn1c(Cl)cnc1CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001581752925	1165868355	/nfs/dbraw/zinc/86/83/55/1165868355.db2.gz	DXIRAQUIVQNGPH-UHFFFAOYSA-N	-1	0	316.716	0.527	20	30		DCEDRM
N#Cc1nc(Sc2cccc(C(N)=O)c2)cnc1-c1nnn[n-]1	ZINC001581880941	1165899742	/nfs/dbraw/zinc/89/97/42/1165899742.db2.gz	ANCIYWQZCLNCPS-UHFFFAOYSA-N	-1	0	324.329	0.778	20	30		DCEDRM
N#Cc1ncc(N2CCC(c3cn[nH]c3)CC2)nc1-c1nnn[n-]1	ZINC001581882200	1165901556	/nfs/dbraw/zinc/90/15/56/1165901556.db2.gz	PEGIJZQHNUBNGV-UHFFFAOYSA-N	-1	0	322.336	0.635	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCCC23OCCO3)nc1-c1nnn[n-]1	ZINC001581882870	1165901781	/nfs/dbraw/zinc/90/17/81/1165901781.db2.gz	KEZDHVFBEOIVBF-SECBINFHSA-N	-1	0	314.309	0.236	20	30		DCEDRM
N#Cc1ncc(N2CCCCC[C@H]2CCO)nc1-c1nnn[n-]1	ZINC001581881857	1165902550	/nfs/dbraw/zinc/90/25/50/1165902550.db2.gz	CQXPYVGJUQCDIQ-JTQLQIEISA-N	-1	0	314.353	0.660	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@@H](CCO)CC2)nc1-c1nnn[n-]1	ZINC001581882078	1165902833	/nfs/dbraw/zinc/90/28/33/1165902833.db2.gz	KOLLFDSZUMXXJU-SNVBAGLBSA-N	-1	0	314.353	0.517	20	30		DCEDRM
N#Cc1ncc(NCc2nccn2C(F)F)nc1-c1nnn[n-]1	ZINC001581884032	1165903863	/nfs/dbraw/zinc/90/38/63/1165903863.db2.gz	HUWMQHSYDLKFPL-UHFFFAOYSA-N	-1	0	318.251	0.732	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001586246858	1166486334	/nfs/dbraw/zinc/48/63/34/1166486334.db2.gz	GFEOHCGXFJZJRT-UHFFFAOYSA-N	-1	0	300.274	0.225	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2ccc(Cl)nc2)c(=O)[n-]c1=O	ZINC001588137167	1166516611	/nfs/dbraw/zinc/51/66/11/1166516611.db2.gz	OWVDDEQONWRWBA-UHFFFAOYSA-N	-1	0	319.708	0.898	20	30		DCEDRM
C#CC1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC1	ZINC001588333430	1166529491	/nfs/dbraw/zinc/52/94/91/1166529491.db2.gz	QEXFLEUCXFUDAY-UHFFFAOYSA-N	-1	0	313.317	0.173	20	30		DCEDRM
C#CC[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1	ZINC001588337483	1166534061	/nfs/dbraw/zinc/53/40/61/1166534061.db2.gz	QNYNKXQXFBSXGP-VIFPVBQESA-N	-1	0	307.335	0.494	20	30		DCEDRM
C#Cc1cccc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)c1	ZINC001588375011	1166549339	/nfs/dbraw/zinc/54/93/39/1166549339.db2.gz	AMIAAMOJAKUSNB-SECBINFHSA-N	-1	0	308.305	0.639	20	30		DCEDRM
C#CCO[N-]C(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1	ZINC001588363522	1166550016	/nfs/dbraw/zinc/55/00/16/1166550016.db2.gz	LBTNJGVXCYMAHK-UHFFFAOYSA-N	-1	0	301.306	0.705	20	30		DCEDRM
C=C(C)CN(CC)C(=O)Cn1c(C)nc(-c2nnn[n-]2)c1C#N	ZINC001588426501	1166554526	/nfs/dbraw/zinc/55/45/26/1166554526.db2.gz	XFJRMIMFGHGWDR-UHFFFAOYSA-N	-1	0	314.353	0.668	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001588500235	1166558029	/nfs/dbraw/zinc/55/80/29/1166558029.db2.gz	TVLPSIPDWJBDSN-CYBMUJFWSA-N	-1	0	316.325	0.629	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001588519143	1166559769	/nfs/dbraw/zinc/55/97/69/1166559769.db2.gz	SZEUBDXNWKTGEP-SECBINFHSA-N	-1	0	316.321	0.219	20	30		DCEDRM
C=C[C@H](CO)N[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O	ZINC001588727614	1166580635	/nfs/dbraw/zinc/58/06/35/1166580635.db2.gz	FCLKWGVTAMFNHV-PSASIEDQSA-N	-1	0	320.378	0.170	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)c(Cl)n1	ZINC001588728080	1166580656	/nfs/dbraw/zinc/58/06/56/1166580656.db2.gz	MMEJDMWPXFRJQR-SCZZXKLOSA-N	-1	0	320.740	0.988	20	30		DCEDRM
C=CCONC(=O)NCc1ccc(-c2nn[nH]n2)c(OC)c1	ZINC001588689539	1166583083	/nfs/dbraw/zinc/58/30/83/1166583083.db2.gz	MPTQBBRYDOSLOY-UHFFFAOYSA-N	-1	0	304.310	0.792	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001589787327	1166687481	/nfs/dbraw/zinc/68/74/81/1166687481.db2.gz	JPMOLABCGJSKAY-QMMMGPOBSA-N	-1	0	307.339	0.184	20	30		DCEDRM
C[C@H](C(=O)O[C@@H](C)CC(C)(C)C#N)n1cnc(-c2nnn[n-]2)n1	ZINC001589795082	1166688121	/nfs/dbraw/zinc/68/81/21/1166688121.db2.gz	JHRUVSINAYJSSO-DTWKUNHWSA-N	-1	0	318.341	0.891	20	30		DCEDRM
C[C@@H]1COCC[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001590325924	1166868502	/nfs/dbraw/zinc/86/85/02/1166868502.db2.gz	VNEGJVWSBZVAHS-RQJHMYQMSA-N	-1	0	302.298	0.073	20	30		DCEDRM
CCC[C@@H](C)[C@@H](CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590548210	1166941404	/nfs/dbraw/zinc/94/14/04/1166941404.db2.gz	PGXGZQSSULBRMN-PSASIEDQSA-N	-1	0	302.342	0.737	20	30		DCEDRM
CCc1nn(CCOCCC#N)c(=O)c(-c2nnn[n-]2)c1CC	ZINC001590929787	1167054050	/nfs/dbraw/zinc/05/40/50/1167054050.db2.gz	VKJPJCGTVPHBPG-UHFFFAOYSA-N	-1	0	317.353	0.478	20	30		DCEDRM
CN(Cn1cccc(-c2nnn[n-]2)c1=O)c1ccc(C#N)cc1	ZINC001591154015	1167118408	/nfs/dbraw/zinc/11/84/08/1167118408.db2.gz	BKPIUTAORORQDP-UHFFFAOYSA-N	-1	0	307.317	0.994	20	30		DCEDRM
COC(=O)c1cncc(Cn2cnc(-c3nnn[n-]3)c2C#N)c1	ZINC001591305546	1167205870	/nfs/dbraw/zinc/20/58/70/1167205870.db2.gz	NJHSNIUKUYZBRS-UHFFFAOYSA-N	-1	0	310.277	0.165	20	30		DCEDRM
COCc1nc(Cn2cnc(C#N)c2-c2nn[nH]n2)cs1	ZINC001591459084	1167294753	/nfs/dbraw/zinc/29/47/53/1167294753.db2.gz	DFURDFXVNXTJNV-UHFFFAOYSA-N	-1	0	302.323	0.586	20	30		DCEDRM
COc1ccccc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001591646944	1167341811	/nfs/dbraw/zinc/34/18/11/1167341811.db2.gz	OXCIPGFJMKGQAD-UHFFFAOYSA-N	-1	0	310.277	0.722	20	30		DCEDRM
Cc1cc(NC(=O)Cn2c(C)nc(-c3nnn[n-]3)c2C#N)no1	ZINC001592019656	1167437017	/nfs/dbraw/zinc/43/70/17/1167437017.db2.gz	MCDOXBZQHXTLRX-UHFFFAOYSA-N	-1	0	313.281	0.178	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1C[C@@H]1C[C@@H]2COC[C@@H]2O1	ZINC001592335522	1167493471	/nfs/dbraw/zinc/49/34/71/1167493471.db2.gz	RWOQVSKIFOCEDK-YWVKMMECSA-N	-1	0	301.310	0.047	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2c(C)nn(C)c2C)o1	ZINC001592338906	1167493923	/nfs/dbraw/zinc/49/39/23/1167493923.db2.gz	SAQGKQMNNCIVBT-UHFFFAOYSA-N	-1	0	301.314	0.959	20	30		DCEDRM
N#CCC1(CNS(=O)(=O)c2cccnc2-c2nnn[n-]2)CC1	ZINC001592674194	1167596775	/nfs/dbraw/zinc/59/67/75/1167596775.db2.gz	AFEXGBDPFAQKGE-UHFFFAOYSA-N	-1	0	319.350	0.234	20	30		DCEDRM
N#Cc1ncc(N2CC[C@@H]([C@@H]3CCOC3)C2)nc1-c1nnn[n-]1	ZINC001592708381	1167606266	/nfs/dbraw/zinc/60/62/66/1167606266.db2.gz	NLXPXDBFDGDPIQ-NXEZZACHSA-N	-1	0	312.337	0.391	20	30		DCEDRM
N#Cc1ncc(N2CCC(C3(O)CC3)CC2)nc1-c1nnn[n-]1	ZINC001592708395	1167606543	/nfs/dbraw/zinc/60/65/43/1167606543.db2.gz	OLDQNVUSXVYHJT-UHFFFAOYSA-N	-1	0	312.337	0.270	20	30		DCEDRM
N#Cc1ncc(N[C@H]2CCn3ccnc3C2)nc1-c1nnn[n-]1	ZINC001592709727	1167608985	/nfs/dbraw/zinc/60/89/85/1167608985.db2.gz	AZVPEAPUVGBWSN-QMMMGPOBSA-N	-1	0	308.309	0.152	20	30		DCEDRM
N#Cc1ncc(N[C@@H](CO)c2cccnc2)nc1-c1nnn[n-]1	ZINC001592710377	1167610380	/nfs/dbraw/zinc/61/03/80/1167610380.db2.gz	NGSMDXUPHUFTMN-JTQLQIEISA-N	-1	0	309.293	0.069	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](C(=O)[O-])C1	ZINC001598798834	1168039109	/nfs/dbraw/zinc/03/91/09/1168039109.db2.gz	RKOYWCRLTVOPTM-KCJUWKMLSA-N	-1	0	305.290	0.365	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)c(C(=O)[O-])[nH]1	ZINC001600244714	1168147272	/nfs/dbraw/zinc/14/72/72/1168147272.db2.gz	WMKWIHXGNMQRRG-ZDUSSCGKSA-N	-1	0	308.269	0.424	20	30		DCEDRM
Cc1cc(NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)c(C#N)cn1	ZINC001600280203	1168154690	/nfs/dbraw/zinc/15/46/90/1168154690.db2.gz	ZIRFAJCRWQAKRB-RYUDHWBXSA-N	-1	0	314.345	0.465	20	30		DCEDRM
Cc1[nH]nc(NC(=O)CCCn2ccc(C(=O)[O-])n2)c1C#N	ZINC001600671912	1168240898	/nfs/dbraw/zinc/24/08/98/1168240898.db2.gz	HNDYODXDXSWZSA-UHFFFAOYSA-N	-1	0	302.294	0.903	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1OS(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC001600784274	1168295652	/nfs/dbraw/zinc/29/56/52/1168295652.db2.gz	GUPFIVXNHHUZIV-MRVPVSSYSA-N	-1	0	315.351	0.843	20	30		DCEDRM
Cc1nnc(SCCc2cn(CC(=O)[O-])nn2)c(C#N)c1C	ZINC001600799775	1168299711	/nfs/dbraw/zinc/29/97/11/1168299711.db2.gz	XFWREEXDQYGYCW-UHFFFAOYSA-N	-1	0	318.362	0.976	20	30		DCEDRM
Cc1onc(CC(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)c1C#N	ZINC001600862953	1168490815	/nfs/dbraw/zinc/49/08/15/1168490815.db2.gz	ODYZBTXVWGVUSZ-LLVKDONJSA-N	-1	0	321.333	0.880	20	30		DCEDRM
Cn1c(N2CCO[C@H](CC(=O)[O-])C2)nnc1C(C)(C)CC#N	ZINC001600919742	1168509501	/nfs/dbraw/zinc/50/95/01/1168509501.db2.gz	FRJBZNAPWYAAMA-SNVBAGLBSA-N	-1	0	307.354	0.686	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)n1	ZINC001600927510	1168510901	/nfs/dbraw/zinc/51/09/01/1168510901.db2.gz	OUGLEEQIMFBIBU-PSASIEDQSA-N	-1	0	307.310	0.151	20	30		DCEDRM
Cn1cc(C(=O)[O-])c(NC(=O)C#Cc2ccc3c(c2)OCO3)n1	ZINC001600933280	1168514492	/nfs/dbraw/zinc/51/44/92/1168514492.db2.gz	UPANTWITZQWLIR-UHFFFAOYSA-N	-1	0	313.269	0.837	20	30		DCEDRM
Cn1cc(C(=O)[O-])c(NC(=O)NCC#C[C@H]2CCCCO2)n1	ZINC001600934709	1168516750	/nfs/dbraw/zinc/51/67/50/1168516750.db2.gz	JUSPACMISONZFA-SNVBAGLBSA-N	-1	0	306.322	0.812	20	30		DCEDRM
Cn1cc(C(=O)[O-])c(NC(=O)NCC2(C#N)CCOCC2)n1	ZINC001600935904	1168519429	/nfs/dbraw/zinc/51/94/29/1168519429.db2.gz	ZGQNJPVUVFUVHV-UHFFFAOYSA-N	-1	0	307.310	0.560	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC001601004228	1168558084	/nfs/dbraw/zinc/55/80/84/1168558084.db2.gz	MPRRMZFHAZYDER-SNVBAGLBSA-N	-1	0	318.337	0.322	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccccn2)CC1	ZINC001601051384	1168577514	/nfs/dbraw/zinc/57/75/14/1168577514.db2.gz	NJCSCKKLXOUFRF-UHFFFAOYSA-N	-1	0	316.317	0.028	20	30		DCEDRM
N#C[C@]1(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CC12CCCC2	ZINC001601049376	1168577573	/nfs/dbraw/zinc/57/75/73/1168577573.db2.gz	LYIFNAQFOPTCBZ-HNNXBMFYSA-N	-1	0	315.333	0.834	20	30		DCEDRM
N#CC1(CNC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CCCC1	ZINC001601056357	1168578552	/nfs/dbraw/zinc/57/85/52/1168578552.db2.gz	GYXZDURWNSHDPJ-GFCCVEGCSA-N	-1	0	309.366	0.937	20	30		DCEDRM
N#C[C@H]1CN(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)CCO1	ZINC001601060985	1168578798	/nfs/dbraw/zinc/57/87/98/1168578798.db2.gz	OUNAXVQTULWFCJ-WVIDZAQPSA-N	-1	0	323.349	0.333	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)C1	ZINC001601061950	1168578989	/nfs/dbraw/zinc/57/89/89/1168578989.db2.gz	AGOYWFLPVPNUJK-ZZXKWVIFSA-N	-1	0	322.342	0.433	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	ZINC001601060262	1168579029	/nfs/dbraw/zinc/57/90/29/1168579029.db2.gz	AQTMSTWETLLFAT-HAQNSBGRSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)C1	ZINC001601063416	1168579877	/nfs/dbraw/zinc/57/98/77/1168579877.db2.gz	VCPYMKQIVPSAOU-NSHDSACASA-N	-1	0	316.360	0.485	20	30		DCEDRM
N#C[C@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCO1	ZINC001601062627	1168579951	/nfs/dbraw/zinc/57/99/51/1168579951.db2.gz	IOJVFMJZWJJXJB-NSHDSACASA-N	-1	0	321.289	0.783	20	30		DCEDRM
N#CCCN1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001601068259	1168580506	/nfs/dbraw/zinc/58/05/06/1168580506.db2.gz	OZTUHWQXLAYEQP-NEPJUHHUSA-N	-1	0	315.395	0.101	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CNC(=O)c1ccc(F)cc1F	ZINC001601069864	1168581150	/nfs/dbraw/zinc/58/11/50/1168581150.db2.gz	RTPBFHGQEZCPGF-UHFFFAOYSA-N	-1	0	311.244	0.131	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC001601072931	1168581756	/nfs/dbraw/zinc/58/17/56/1168581756.db2.gz	TVLCHXFTHWSQAT-NSHDSACASA-N	-1	0	323.305	0.635	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2CC[C@](O)(C(=O)[O-])C2)c1	ZINC001601074285	1168581789	/nfs/dbraw/zinc/58/17/89/1168581789.db2.gz	QKTOKKYQLDRYBY-OAHLLOKOSA-N	-1	0	304.302	0.179	20	30		DCEDRM
N#CCc1ccc(CS(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC001601076905	1168582170	/nfs/dbraw/zinc/58/21/70/1168582170.db2.gz	BIOLRKDVMDMDJZ-OLZOCXBDSA-N	-1	0	324.358	0.102	20	30		DCEDRM
N#CCc1ccc(CS(=O)(=O)NC[C@H](F)C(=O)[O-])cc1	ZINC001601076909	1168582400	/nfs/dbraw/zinc/58/24/00/1168582400.db2.gz	BNMZMLARLLJTGD-NSHDSACASA-N	-1	0	300.311	0.595	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)cc1	ZINC001601077620	1168582458	/nfs/dbraw/zinc/58/24/58/1168582458.db2.gz	JBHCXQUNHFCIAG-AWEZNQCLSA-N	-1	0	324.358	0.665	20	30		DCEDRM
N#CCc1ccc(OC[C@H](O)CN2C[C@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC001601077351	1168582632	/nfs/dbraw/zinc/58/26/32/1168582632.db2.gz	YZACRHQAUYSGIO-UMVBOHGHSA-N	-1	0	320.345	0.012	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)NCc2nc(C(=O)[O-])co2)c1	ZINC001601078358	1168582712	/nfs/dbraw/zinc/58/27/12/1168582712.db2.gz	VUEPRKLDIHNYNF-UHFFFAOYSA-N	-1	0	321.314	0.917	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001601082936	1168583033	/nfs/dbraw/zinc/58/30/33/1168583033.db2.gz	IVDOWWXUBSOWBK-GXSJLCMTSA-N	-1	0	314.294	0.218	20	30		DCEDRM
N#CCc1ccccc1CC(=O)NC[C@]1(C(=O)[O-])CCOC1	ZINC001601077925	1168583090	/nfs/dbraw/zinc/58/30/90/1168583090.db2.gz	FLZJTMNHXYZBMK-MRXNPFEDSA-N	-1	0	302.330	0.903	20	30		DCEDRM
N#Cc1cc(Br)cnc1NC[C@H](O)CC(=O)[O-]	ZINC001601084815	1168583417	/nfs/dbraw/zinc/58/34/17/1168583417.db2.gz	NXKJZGIPEKGERF-MRVPVSSYSA-N	-1	0	300.112	0.963	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])ccc1F	ZINC001601084388	1168583485	/nfs/dbraw/zinc/58/34/85/1168583485.db2.gz	DEDYLSASQHXUJL-LBPRGKRZSA-N	-1	0	319.292	0.503	20	30		DCEDRM
N#Cc1cc(C(=O)NCCn2cc(C(=O)[O-])nn2)ccc1F	ZINC001601085960	1168583706	/nfs/dbraw/zinc/58/37/06/1168583706.db2.gz	RMHCLFDDUGJFJC-UHFFFAOYSA-N	-1	0	303.253	0.417	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])nc1Cl	ZINC001601092401	1168583909	/nfs/dbraw/zinc/58/39/09/1168583909.db2.gz	MTBZNVVVMNCDOQ-SECBINFHSA-N	-1	0	309.709	0.922	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)NC2(C(=O)[O-])CCC2)cc1	ZINC001601094194	1168583926	/nfs/dbraw/zinc/58/39/26/1168583926.db2.gz	PCYVIEJWCQUYFM-UHFFFAOYSA-N	-1	0	301.302	0.412	20	30		DCEDRM
N#Cc1ccc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1O	ZINC001601092148	1168584087	/nfs/dbraw/zinc/58/40/87/1168584087.db2.gz	LIYBRSANVQNMAB-VXGBXAGGSA-N	-1	0	304.302	0.731	20	30		DCEDRM
N#Cc1ccc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)cc1	ZINC001601093934	1168584182	/nfs/dbraw/zinc/58/41/82/1168584182.db2.gz	CVCSOJITRLNYSU-GFCCVEGCSA-N	-1	0	302.286	0.791	20	30		DCEDRM
N#Cc1ccc(CCC(=O)N[C@@H](CC2OCCO2)C(=O)[O-])cc1	ZINC001601099575	1168584772	/nfs/dbraw/zinc/58/47/72/1168584772.db2.gz	PRDDWCFQNWOOGS-ZDUSSCGKSA-N	-1	0	318.329	0.823	20	30		DCEDRM
N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](CF)C(=O)[O-])CC2=O)cc1	ZINC001601105787	1168585161	/nfs/dbraw/zinc/58/51/61/1168585161.db2.gz	IQJVQFBITTZDCC-PWSUYJOCSA-N	-1	0	319.292	0.450	20	30		DCEDRM
N#Cc1ccc(Cn2cc(NC(=O)COCC(=O)[O-])cn2)cc1	ZINC001601104170	1168585538	/nfs/dbraw/zinc/58/55/38/1168585538.db2.gz	WUSKVPZDJNZNHM-UHFFFAOYSA-N	-1	0	314.301	0.843	20	30		DCEDRM
N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(=O)[O-])nc1	ZINC001601106789	1168585966	/nfs/dbraw/zinc/58/59/66/1168585966.db2.gz	CUYWNXQXBSZYDQ-SVPLCASGSA-N	-1	0	312.329	0.225	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)nc1	ZINC001601108633	1168586248	/nfs/dbraw/zinc/58/62/48/1168586248.db2.gz	RVCLLPVNDOEZDI-AWEZNQCLSA-N	-1	0	318.333	0.049	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)NC2CC(CC(=O)[O-])C2)nc1	ZINC001601107993	1168586388	/nfs/dbraw/zinc/58/63/88/1168586388.db2.gz	WFFUUIBMDJWSFH-UHFFFAOYSA-N	-1	0	317.349	0.918	20	30		DCEDRM
N#Cc1ccc(N2CCN(Cc3cc(C(=O)[O-])no3)CC2)nc1	ZINC001601106492	1168586408	/nfs/dbraw/zinc/58/64/08/1168586408.db2.gz	WQJLSQSDTKFTML-UHFFFAOYSA-N	-1	0	313.317	0.962	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H](F)C(=O)[O-])cc1Cl	ZINC001601111782	1168586943	/nfs/dbraw/zinc/58/69/43/1168586943.db2.gz	NADUYDQGTOJFLF-VIFPVBQESA-N	-1	0	306.702	0.913	20	30		DCEDRM
N#Cc1cccc(CC(=O)N[C@@H](CC2OCCO2)C(=O)[O-])c1	ZINC001601122450	1168588246	/nfs/dbraw/zinc/58/82/46/1168588246.db2.gz	LPMBAHBMQJDCCH-LBPRGKRZSA-N	-1	0	304.302	0.433	20	30		DCEDRM
N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H](O)C(=O)[O-]	ZINC001601125111	1168588321	/nfs/dbraw/zinc/58/83/21/1168588321.db2.gz	BZDYKFWQLQMAJS-LBPRGKRZSA-N	-1	0	319.317	0.229	20	30		DCEDRM
N#Cc1cccc(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1	ZINC001601122428	1168588504	/nfs/dbraw/zinc/58/85/04/1168588504.db2.gz	LBCUBLSMNQZPSN-HAQNSBGRSA-N	-1	0	301.302	0.154	20	30		DCEDRM
N#Cc1ccncc1C(=O)N[C@H](Cc1cncs1)C(=O)[O-]	ZINC001601128221	1168589310	/nfs/dbraw/zinc/58/93/10/1168589310.db2.gz	GECALSXQUJKHNV-LLVKDONJSA-N	-1	0	302.315	0.835	20	30		DCEDRM
N#Cc1cccnc1-n1cc(NC(=O)NC2(C(=O)[O-])CC2)cn1	ZINC001601127370	1168589882	/nfs/dbraw/zinc/58/98/82/1168589882.db2.gz	JVFIZNCJHZZOGI-UHFFFAOYSA-N	-1	0	312.289	0.878	20	30		DCEDRM
N#Cc1cncc(NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1	ZINC001601130458	1168591953	/nfs/dbraw/zinc/59/19/53/1168591953.db2.gz	HPDQQTXQATUXJF-VHSXEESVSA-N	-1	0	301.306	0.130	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NC[C@H]1CCCS(=O)(=O)C1	ZINC001601133067	1168592215	/nfs/dbraw/zinc/59/22/15/1168592215.db2.gz	LDSAHRDBHMERFD-SECBINFHSA-N	-1	0	309.347	0.888	20	30		DCEDRM
N#Cc1cnn(-c2ccc(C(=O)NC[C@H](F)C(=O)[O-])cc2)c1N	ZINC001601131910	1168592826	/nfs/dbraw/zinc/59/28/26/1168592826.db2.gz	WSUBWRYKSDACHB-NSHDSACASA-N	-1	0	317.280	0.479	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCN(Cc2cn[nH]c2)CC1	ZINC001601132901	1168593157	/nfs/dbraw/zinc/59/31/57/1168593157.db2.gz	HCHSTUHVILTYRQ-UHFFFAOYSA-N	-1	0	312.333	0.697	20	30		DCEDRM
O=C([O-])c1cc(S(=O)(=O)O[C@H]2CNOC2)cc(F)c1F	ZINC001602298085	1169052077	/nfs/dbraw/zinc/05/20/77/1169052077.db2.gz	JEEHVJAKWSWUEJ-YFKPBYRVSA-N	-1	0	309.246	0.272	20	30		DCEDRM
C#C[C@@H]1CCCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001602676705	1169156721	/nfs/dbraw/zinc/15/67/21/1169156721.db2.gz	FUANQRXLKDONCZ-GFCCVEGCSA-N	-1	0	300.380	0.516	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC001602682093	1169156905	/nfs/dbraw/zinc/15/69/05/1169156905.db2.gz	YGCXNKVTAPJQFQ-BDAKNGLRSA-N	-1	0	309.347	0.946	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001602677236	1169156994	/nfs/dbraw/zinc/15/69/94/1169156994.db2.gz	RVGCNRLESRFMDD-NSHDSACASA-N	-1	0	318.333	0.229	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccccc1	ZINC001602679052	1169157294	/nfs/dbraw/zinc/15/72/94/1169157294.db2.gz	SYXFAEJXNFTYAD-NSHDSACASA-N	-1	0	305.315	0.761	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001602682906	1169158241	/nfs/dbraw/zinc/15/82/41/1169158241.db2.gz	GZOQUIBBKUEDRX-MNOVXSKESA-N	-1	0	320.349	0.754	20	30		DCEDRM
C#CC[C@@H](NC(=O)CNC(=O)c1cc(C)cc(C)c1)C(=O)[O-]	ZINC001602687088	1169158381	/nfs/dbraw/zinc/15/83/81/1169158381.db2.gz	HWUALTIMRDGMJZ-CYBMUJFWSA-N	-1	0	302.330	0.626	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)Nc1scc(C)c1C(=O)[O-]	ZINC001602682778	1169158395	/nfs/dbraw/zinc/15/83/95/1169158395.db2.gz	FYCJMLVNLFAGBL-VIFPVBQESA-N	-1	0	324.358	0.848	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C(=O)[O-]	ZINC001602698706	1169164356	/nfs/dbraw/zinc/16/43/56/1169164356.db2.gz	SCVKZOQBBTWJFN-ASCAZGACSA-N	-1	0	310.397	0.194	20	30		DCEDRM
C#CCCCC(=O)O[C@@H]1C[C@H](C(=O)[O-])N(c2cnccn2)C1	ZINC001602702564	1169165846	/nfs/dbraw/zinc/16/58/46/1169165846.db2.gz	GLIVBHMLVALWSR-VXGBXAGGSA-N	-1	0	303.318	0.855	20	30		DCEDRM
C#CCCN(CCOC)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001602710825	1169166199	/nfs/dbraw/zinc/16/61/99/1169166199.db2.gz	QJPHJPKWOXTDGA-UHFFFAOYSA-N	-1	0	319.317	0.217	20	30		DCEDRM
C#CCCCS(=O)(=O)Oc1ccc(-c2nn[nH]n2)cc1OC	ZINC001602711389	1169166223	/nfs/dbraw/zinc/16/62/23/1169166223.db2.gz	RYJGPYPRORUTBQ-UHFFFAOYSA-N	-1	0	322.346	0.997	20	30		DCEDRM
C#CCN(CC)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001602719272	1169170404	/nfs/dbraw/zinc/17/04/04/1169170404.db2.gz	AFAWZIJQBMBOBT-UHFFFAOYSA-N	-1	0	304.302	0.814	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N2CCC[C@]2(COC)C(=O)[O-])cc1	ZINC001602738492	1169175989	/nfs/dbraw/zinc/17/59/89/1169175989.db2.gz	CJSPLSZNBFIMLA-HNNXBMFYSA-N	-1	0	323.370	0.922	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001602747633	1169177653	/nfs/dbraw/zinc/17/76/53/1169177653.db2.gz	XQSHJGDZDVWMLV-CHWSQXEVSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)OCc1cnc(C(=O)[O-])cn1	ZINC001602755049	1169179002	/nfs/dbraw/zinc/17/90/02/1169179002.db2.gz	FPRLBBGUKHJIIZ-LLVKDONJSA-N	-1	0	307.306	0.689	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1[C@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001602764872	1169180953	/nfs/dbraw/zinc/18/09/53/1169180953.db2.gz	VMDJZPWZVSVJCN-RHYQMDGZSA-N	-1	0	303.380	0.987	20	30		DCEDRM
C=C(C)CN1CC(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)C1	ZINC001602762046	1169181527	/nfs/dbraw/zinc/18/15/27/1169181527.db2.gz	OMKTYILFJKUGSI-ZIAGYGMSSA-N	-1	0	307.394	0.112	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1	ZINC001602781661	1169183157	/nfs/dbraw/zinc/18/31/57/1169183157.db2.gz	AZIYODSHNZVECP-SNVBAGLBSA-N	-1	0	306.322	0.298	20	30		DCEDRM
C=C1CCC(CNC(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)CC1	ZINC001602791846	1169184683	/nfs/dbraw/zinc/18/46/83/1169184683.db2.gz	AQWVVTLJGRJJJS-MRXNPFEDSA-N	-1	0	324.377	0.551	20	30		DCEDRM
C=CCC(C)(C)Cn1nnnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001602835932	1169190216	/nfs/dbraw/zinc/19/02/16/1169190216.db2.gz	CJGUXXWIQNKJOW-MNOVXSKESA-N	-1	0	309.370	0.954	20	30		DCEDRM
C=CC[C@H](OC(=O)CNS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC001602845738	1169191992	/nfs/dbraw/zinc/19/19/92/1169191992.db2.gz	VQCRPRZLUFEHLV-NSHDSACASA-N	-1	0	313.331	0.537	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC001602842350	1169192194	/nfs/dbraw/zinc/19/21/94/1169192194.db2.gz	HDUDEZQOOHJDLP-JTQLQIEISA-N	-1	0	306.318	0.685	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001602843155	1169192406	/nfs/dbraw/zinc/19/24/06/1169192406.db2.gz	WBRJSFJSNLQHMM-VIFPVBQESA-N	-1	0	310.281	0.516	20	30		DCEDRM
C=CCN1CC[C@@H](OC(=O)c2ccnc(-c3nn[nH]n3)c2)C1=O	ZINC001602862530	1169194133	/nfs/dbraw/zinc/19/41/33/1169194133.db2.gz	JFDOXESWLRTTSB-LLVKDONJSA-N	-1	0	314.305	0.205	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-]	ZINC001602869121	1169195535	/nfs/dbraw/zinc/19/55/35/1169195535.db2.gz	BDARKQDKARAJAL-JTQLQIEISA-N	-1	0	301.368	0.816	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC001602907055	1169201541	/nfs/dbraw/zinc/20/15/41/1169201541.db2.gz	VCKDOHOCDQKXOO-MRVPVSSYSA-N	-1	0	301.324	0.074	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)[O-])[nH]1	ZINC001602902237	1169202082	/nfs/dbraw/zinc/20/20/82/1169202082.db2.gz	UYUHXSZDFZDIJC-SSDOTTSWSA-N	-1	0	309.278	0.270	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(/C=C/C(=O)OC)o1)C(=O)[O-]	ZINC001602913045	1169202687	/nfs/dbraw/zinc/20/26/87/1169202687.db2.gz	HGUUKCAMSZKVPW-OKPNEXGHSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1n[nH]c(=O)c2ccccc21)C(=O)[O-]	ZINC001602913412	1169204577	/nfs/dbraw/zinc/20/45/77/1169204577.db2.gz	PPTFSNRPSFFOQA-NSHDSACASA-N	-1	0	317.301	0.721	20	30		DCEDRM
C=CCn1c(CC(C)(C)C#N)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602933290	1169210350	/nfs/dbraw/zinc/21/03/50/1169210350.db2.gz	XRTPPKNTXNNUIK-NSHDSACASA-N	-1	0	319.365	0.846	20	30		DCEDRM
C=CCn1c([C@@H]2CC=NO2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602932281	1169211377	/nfs/dbraw/zinc/21/13/77/1169211377.db2.gz	NHFMKMYKWXMEGR-VHSXEESVSA-N	-1	0	307.310	0.201	20	30		DCEDRM
C=CCn1c(-c2cccnn2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602929747	1169211387	/nfs/dbraw/zinc/21/13/87/1169211387.db2.gz	BJHGTWIUEAVUSI-JTQLQIEISA-N	-1	0	300.322	0.832	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@H](Cc2ccccc2O)C(=O)[O-])nn1	ZINC001602938240	1169213022	/nfs/dbraw/zinc/21/30/22/1169213022.db2.gz	ZAQCVEGKEFHYGN-NSHDSACASA-N	-1	0	316.317	0.595	20	30		DCEDRM
C=CCn1nnn(CN2CCSC[C@H](C(=O)[O-])C2)c1=S	ZINC001602940799	1169214331	/nfs/dbraw/zinc/21/43/31/1169214331.db2.gz	SATUYIAYXCDFIO-SECBINFHSA-N	-1	0	315.424	0.702	20	30		DCEDRM
C=CCn1nnn(CN2CCSC[C@@H](C(=O)[O-])C2)c1=S	ZINC001602940805	1169214364	/nfs/dbraw/zinc/21/43/64/1169214364.db2.gz	SATUYIAYXCDFIO-VIFPVBQESA-N	-1	0	315.424	0.702	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001602945113	1169216314	/nfs/dbraw/zinc/21/63/14/1169216314.db2.gz	CUUYCPMCFSOSLD-JTQLQIEISA-N	-1	0	322.292	0.353	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)c1ccsc1-c1nnn[n-]1	ZINC001602983995	1169223612	/nfs/dbraw/zinc/22/36/12/1169223612.db2.gz	QPWINFHSITZWPK-SSDOTTSWSA-N	-1	0	312.380	0.708	20	30		DCEDRM
C[C@@H](C#N)OCCn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2	ZINC001602989801	1169225778	/nfs/dbraw/zinc/22/57/78/1169225778.db2.gz	SXMAGAOCABGXOP-VIFPVBQESA-N	-1	0	300.322	0.446	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNc2ccnc(C(=O)[O-])n2)C1	ZINC001603130362	1169250030	/nfs/dbraw/zinc/25/00/30/1169250030.db2.gz	VHXZRYZDHQFXGV-GUBZILKMSA-N	-1	0	303.322	0.063	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C(=O)[O-])n1	ZINC001603130566	1169251093	/nfs/dbraw/zinc/25/10/93/1169251093.db2.gz	YMTFTJDFAHLLHS-DBIOUOCHSA-N	-1	0	315.333	0.560	20	30		DCEDRM
C[C@H](C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001603156160	1169259769	/nfs/dbraw/zinc/25/97/69/1169259769.db2.gz	OCVHLBMMULXOIV-BFVZDQMLSA-N	-1	0	305.338	0.860	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H](CNc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001603700316	1169365919	/nfs/dbraw/zinc/36/59/19/1169365919.db2.gz	QZSJHUJYNYDYPP-GFCCVEGCSA-N	-1	0	316.361	0.563	20	30		DCEDRM
CCC1(O)CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001604094424	1169492253	/nfs/dbraw/zinc/49/22/53/1169492253.db2.gz	ZLSOALKRNPUVQC-UHFFFAOYSA-N	-1	0	300.326	0.270	20	30		DCEDRM
C[C@H]1CN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C[C@H](C)N1CC#N	ZINC001604775225	1169678179	/nfs/dbraw/zinc/67/81/79/1169678179.db2.gz	GBFMEIYSYAELEO-DJUFWWRVSA-N	-1	0	320.393	0.867	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C[C@H]1O	ZINC001604804894	1169691198	/nfs/dbraw/zinc/69/11/98/1169691198.db2.gz	BURYTIQMPCZIPB-LDYMZIIASA-N	-1	0	310.331	0.258	20	30		DCEDRM
CC[C@](COC)(NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC001605047683	1169794851	/nfs/dbraw/zinc/79/48/51/1169794851.db2.gz	JCXYXRMWZIQKOB-MRXNPFEDSA-N	-1	0	319.313	0.763	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC001605418248	1169915653	/nfs/dbraw/zinc/91/56/53/1169915653.db2.gz	VEYWNYJFXNGACO-KOLCDFICSA-N	-1	0	321.424	0.263	20	30		DCEDRM
CCN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001605447820	1169924579	/nfs/dbraw/zinc/92/45/79/1169924579.db2.gz	KJLRNOYZSGXCDJ-GHMZBOCLSA-N	-1	0	303.322	0.329	20	30		DCEDRM
CN(C(=O)C(=O)NCC1(C#N)CCCCC1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001605950911	1170033118	/nfs/dbraw/zinc/03/31/18/1170033118.db2.gz	RXMJGHUQTIHCJJ-TXEJJXNPSA-N	-1	0	321.377	0.898	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)N1CCCCC1	ZINC001606018524	1170051134	/nfs/dbraw/zinc/05/11/34/1170051134.db2.gz	YDYCDLATIZKKLS-UHFFFAOYSA-N	-1	0	300.326	0.256	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)NCC1CCC(C#N)CC1	ZINC001606106101	1170077566	/nfs/dbraw/zinc/07/75/66/1170077566.db2.gz	WYRXGKFMIXXFNU-UHFFFAOYSA-N	-1	0	303.384	0.557	20	30		DCEDRM
CN(c1ncc(C(=O)[O-])cn1)[C@@H]1CCN(C(=O)C#CC2CC2)C1	ZINC001606188019	1170107467	/nfs/dbraw/zinc/10/74/67/1170107467.db2.gz	ZFZNQFQPCVUIAJ-CYBMUJFWSA-N	-1	0	314.345	0.625	20	30		DCEDRM
CN1CC[C@@H](C(=O)OCC#Cc2cccc(C(=O)[O-])c2)C1=O	ZINC001606213122	1170117422	/nfs/dbraw/zinc/11/74/22/1170117422.db2.gz	WRIYMUSGGHAKBY-CYBMUJFWSA-N	-1	0	301.298	0.758	20	30		DCEDRM
CNC(=O)NCCC(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001606280330	1170146319	/nfs/dbraw/zinc/14/63/19/1170146319.db2.gz	BUGLSFPSQLJCQZ-UHFFFAOYSA-N	-1	0	305.290	0.619	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(C#N)cn1C	ZINC001606383341	1170175354	/nfs/dbraw/zinc/17/53/54/1170175354.db2.gz	DUJUUBCGJYJNFV-GHMZBOCLSA-N	-1	0	319.317	0.375	20	30		DCEDRM
N#Cc1ncc(N2CC[C@@H](c3ccccn3)C2)nc1-c1nnn[n-]1	ZINC001606397429	1170183551	/nfs/dbraw/zinc/18/35/51/1170183551.db2.gz	PWDMFFQQAFGBAP-SNVBAGLBSA-N	-1	0	319.332	0.917	20	30		DCEDRM
COC[C@@H](OC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C(=O)[O-]	ZINC001606821266	1170301233	/nfs/dbraw/zinc/30/12/33/1170301233.db2.gz	QICCEYNRGWSCEQ-GFCCVEGCSA-N	-1	0	322.317	0.851	20	30		DCEDRM
COCCCCNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001606869180	1170319024	/nfs/dbraw/zinc/31/90/24/1170319024.db2.gz	GXMSEDLMLGNYLZ-UHFFFAOYSA-N	-1	0	312.347	0.961	20	30		DCEDRM
Cc1c(C#N)c(=O)n(CC2(CC(=O)[O-])CC2)c(=O)n1C1CC1	ZINC001607504076	1170469893	/nfs/dbraw/zinc/46/98/93/1170469893.db2.gz	BKAKEPFWEGEQAE-UHFFFAOYSA-N	-1	0	303.318	0.780	20	30		DCEDRM
Cc1c(C(=O)Nc2ccnc(C(=O)[O-])n2)cnn1CCC#N	ZINC001607510431	1170470782	/nfs/dbraw/zinc/47/07/82/1170470782.db2.gz	NUXSCVMWGFAEMI-UHFFFAOYSA-N	-1	0	300.278	0.846	20	30		DCEDRM
Cc1nc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)ccc1C#N	ZINC001607962044	1170535054	/nfs/dbraw/zinc/53/50/54/1170535054.db2.gz	LZVRWYINFNNSHL-STQMWFEESA-N	-1	0	314.345	0.631	20	30		DCEDRM
Cc1onc2c1c(C(=O)[O-])nn(CN(C)C[C@H](C)C#N)c2=O	ZINC001608058709	1170562355	/nfs/dbraw/zinc/56/23/55/1170562355.db2.gz	OJFSVKRXWYOLLE-SSDOTTSWSA-N	-1	0	305.294	0.440	20	30		DCEDRM
Cc1onc(CC(=O)NCC2(CC(=O)[O-])CCOCC2)c1C#N	ZINC001608058081	1170563017	/nfs/dbraw/zinc/56/30/17/1170563017.db2.gz	CPRQRRWRAJZHKQ-UHFFFAOYSA-N	-1	0	321.333	0.785	20	30		DCEDRM
Cn1ncc(C(=O)[O-])c1NC(=O)NCc1ccc(C#N)cn1	ZINC001608156745	1170600505	/nfs/dbraw/zinc/60/05/05/1170600505.db2.gz	WJAMKPZWPICHIK-UHFFFAOYSA-N	-1	0	300.278	0.707	20	30		DCEDRM
N#CC1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CCCC1	ZINC001608171708	1170608068	/nfs/dbraw/zinc/60/80/68/1170608068.db2.gz	GMDITIWHOIHTLG-INIZCTEOSA-N	-1	0	321.377	0.458	20	30		DCEDRM
N#C[C@H](CCc1ccccc1)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	ZINC001608169766	1170608350	/nfs/dbraw/zinc/60/83/50/1170608350.db2.gz	CKZMMLWCAZQYEG-HEHGZKQESA-N	-1	0	302.330	0.853	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@]2(CC(=O)[O-])CCCOC2)CC1	ZINC001608175456	1170609068	/nfs/dbraw/zinc/60/90/68/1170609068.db2.gz	GXOSXQBCZSAMIX-GFCCVEGCSA-N	-1	0	302.352	0.233	20	30		DCEDRM
N#CCC1CCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1	ZINC001608182138	1170611606	/nfs/dbraw/zinc/61/16/06/1170611606.db2.gz	VCKJEEYZBVACOR-LBPRGKRZSA-N	-1	0	305.334	0.428	20	30		DCEDRM
N#CCCN(C(=O)CN1C[C@H](O)C[C@@H]1C(=O)[O-])c1ccccc1	ZINC001608182487	1170611707	/nfs/dbraw/zinc/61/17/07/1170611707.db2.gz	AFSKAWYMROOYOJ-ZIAGYGMSSA-N	-1	0	317.345	0.453	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC001608182318	1170611831	/nfs/dbraw/zinc/61/18/31/1170611831.db2.gz	YYLSMWJHQNAHFE-AWEZNQCLSA-N	-1	0	319.273	0.784	20	30		DCEDRM
N#Cc1cc2c(nc1NCCC(=O)NCCC(=O)[O-])CCOC2	ZINC001608198593	1170613864	/nfs/dbraw/zinc/61/38/64/1170613864.db2.gz	PMXNNQIVUOTZHV-UHFFFAOYSA-N	-1	0	318.333	0.419	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c(F)c1	ZINC001608199119	1170613998	/nfs/dbraw/zinc/61/39/98/1170613998.db2.gz	SKYQUYGYLQOVTL-LBPRGKRZSA-N	-1	0	319.292	0.503	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cc1	ZINC001608203938	1170615016	/nfs/dbraw/zinc/61/50/16/1170615016.db2.gz	MFEYGAPWSUPCGP-ZDUSSCGKSA-N	-1	0	315.329	0.293	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)cn1	ZINC001608212193	1170616119	/nfs/dbraw/zinc/61/61/19/1170616119.db2.gz	VRQLJJLKKOVKIR-DVYJOKAKSA-N	-1	0	307.331	0.485	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)nc1	ZINC001608209873	1170616397	/nfs/dbraw/zinc/61/63/97/1170616397.db2.gz	ULZOGJPTIAUHBM-UHFFFAOYSA-N	-1	0	320.330	0.332	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](O)CC2)c(C(=O)[O-])c1	ZINC001608211854	1170616463	/nfs/dbraw/zinc/61/64/63/1170616463.db2.gz	MIOANRYWVGBNEX-XYPYZODXSA-N	-1	0	324.358	0.838	20	30		DCEDRM
N#Cc1cccc(OCC(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)c1	ZINC001608217938	1170617334	/nfs/dbraw/zinc/61/73/34/1170617334.db2.gz	AIYYTOPDZKDRBZ-OCCSQVGLSA-N	-1	0	318.329	0.791	20	30		DCEDRM
N#Cc1ccccc1CN1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001608220213	1170618730	/nfs/dbraw/zinc/61/87/30/1170618730.db2.gz	PYLUBAWLZUDPSH-LSDHHAIUSA-N	-1	0	313.357	0.827	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001608225657	1170619212	/nfs/dbraw/zinc/61/92/12/1170619212.db2.gz	WYBWNIYOXFFNAJ-HZMBPMFUSA-N	-1	0	321.358	0.829	20	30		DCEDRM
O=C([O-])c1cc(C(=O)N=C2NS(=O)(=O)c3ccccc32)c[nH]1	ZINC001608407864	1170672785	/nfs/dbraw/zinc/67/27/85/1170672785.db2.gz	GRNZHYLEFZBXQO-UHFFFAOYSA-N	-1	0	319.298	0.592	20	30		DCEDRM
C#C[C@@H](NC(=O)Cc1noc(C)c1-c1nn[nH]n1)C(C)(C)C	ZINC001609019124	1170785334	/nfs/dbraw/zinc/78/53/34/1170785334.db2.gz	NTFQFBDTZXSKOQ-SNVBAGLBSA-N	-1	0	302.338	0.870	20	30		DCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1	ZINC001609019384	1170785487	/nfs/dbraw/zinc/78/54/87/1170785487.db2.gz	SLVKPFRUIDJZHZ-SSDOTTSWSA-N	-1	0	302.269	0.082	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001609057860	1170794542	/nfs/dbraw/zinc/79/45/42/1170794542.db2.gz	IELPWKMWCOJMQX-SECBINFHSA-N	-1	0	308.315	0.245	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)C(=O)[O-]	ZINC001609076537	1170800605	/nfs/dbraw/zinc/80/06/05/1170800605.db2.gz	PMPCZRDKKGLBOV-WCQYABFASA-N	-1	0	306.362	0.760	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O)C(=O)[O-]	ZINC001609076783	1170800452	/nfs/dbraw/zinc/80/04/52/1170800452.db2.gz	XZAWZBHJDLYPSC-AVGNSLFASA-N	-1	0	301.298	0.884	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)CC)c1)C(=O)[O-]	ZINC001609079146	1170802873	/nfs/dbraw/zinc/80/28/73/1170802873.db2.gz	ZPVUWSUYTNVBTL-GFCCVEGCSA-N	-1	0	309.343	0.687	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC001609162209	1170834845	/nfs/dbraw/zinc/83/48/45/1170834845.db2.gz	MWYHGPRQMUFHPZ-GFCCVEGCSA-N	-1	0	324.377	0.102	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN(Cc2nc([C@H](C)OCC)no2)CC1	ZINC001609264319	1170902380	/nfs/dbraw/zinc/90/23/80/1170902380.db2.gz	LFYDUQBEJYVYCP-NWDGAFQWSA-N	-1	0	324.381	0.924	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(Cc2nc([C@H](C)OCC)no2)CC1	ZINC001609264320	1170903083	/nfs/dbraw/zinc/90/30/83/1170903083.db2.gz	LFYDUQBEJYVYCP-RYUDHWBXSA-N	-1	0	324.381	0.924	20	30		DCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC001609267525	1170903639	/nfs/dbraw/zinc/90/36/39/1170903639.db2.gz	XNAHEVLXHIUOBP-ZETCQYMHSA-N	-1	0	320.754	0.913	20	30		DCEDRM
C=C[C@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)C(=O)OC	ZINC001609272017	1170904768	/nfs/dbraw/zinc/90/47/68/1170904768.db2.gz	GLPYEOIMVBXKCD-UWVGGRQHSA-N	-1	0	324.358	0.869	20	30		DCEDRM
C=CCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC	ZINC001609356928	1170948839	/nfs/dbraw/zinc/94/88/39/1170948839.db2.gz	UCKDKBUMDDOVEI-UHFFFAOYSA-N	-1	0	313.331	0.978	20	30		DCEDRM
Cc1cc(C(=O)Cn2c(N)nc(-c3nnn[n-]3)c2C#N)c(C)[nH]1	ZINC001609393621	1170965350	/nfs/dbraw/zinc/96/53/50/1170965350.db2.gz	JIXWAYXMOKVQDQ-UHFFFAOYSA-N	-1	0	311.309	0.345	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-]	ZINC001609443024	1170979031	/nfs/dbraw/zinc/97/90/31/1170979031.db2.gz	OXZXIJADXCKMCC-NSHDSACASA-N	-1	0	324.289	0.989	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2cccc(-c3nn[nH]n3)c2)c1=O	ZINC001609461860	1170987203	/nfs/dbraw/zinc/98/72/03/1170987203.db2.gz	PRHIKGKLTXYDON-UHFFFAOYSA-N	-1	0	314.334	0.298	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC001609488724	1170995183	/nfs/dbraw/zinc/99/51/83/1170995183.db2.gz	IHFPUONDPOZQOF-UHFFFAOYSA-N	-1	0	318.329	0.960	20	30		DCEDRM
N#CCc1cccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC001609496332	1170996643	/nfs/dbraw/zinc/99/66/43/1170996643.db2.gz	FTXBYPSGOKFCTF-UHFFFAOYSA-N	-1	0	319.288	0.780	20	30		DCEDRM
CC(C)(C#N)CCS(=O)(=O)Cc1noc(CCC(=O)[O-])n1	ZINC001609647541	1171059907	/nfs/dbraw/zinc/05/99/07/1171059907.db2.gz	UDKXVXSAAACYPF-UHFFFAOYSA-N	-1	0	315.351	0.941	20	30		DCEDRM
CC(C)CN(CC(=O)[O-])C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC001609697505	1171069414	/nfs/dbraw/zinc/06/94/14/1171069414.db2.gz	WHQYURHAKNCIDN-UHFFFAOYSA-N	-1	0	317.345	0.857	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(CC)C[C@H](C)C#N	ZINC001610032157	1171143854	/nfs/dbraw/zinc/14/38/54/1171143854.db2.gz	AGVZMPFBQHEBSF-MNOVXSKESA-N	-1	0	321.399	0.134	20	30		DCEDRM
CCc1nn(CC(=O)C(C)(C)C(=O)[O-])c(=O)c(C#N)c1CC	ZINC001610073760	1171149741	/nfs/dbraw/zinc/14/97/41/1171149741.db2.gz	JDPGBQITEZDTBM-UHFFFAOYSA-N	-1	0	305.334	0.920	20	30		DCEDRM
CN1C[C@@H](C(=O)OCc2cccc(C(=O)[O-])c2C#N)CC1=O	ZINC001610131676	1171166867	/nfs/dbraw/zinc/16/68/67/1171166867.db2.gz	CLIIXGUGJRVABS-JTQLQIEISA-N	-1	0	302.286	0.778	20	30		DCEDRM
COC(=O)c1cc(C#N)c(=O)n(Cc2cccc(C(=O)[O-])n2)c1	ZINC001610196763	1171195124	/nfs/dbraw/zinc/19/51/24/1171195124.db2.gz	VNSBKMAXBUIZNM-UHFFFAOYSA-N	-1	0	313.269	0.648	20	30		DCEDRM
CO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@H](C(=O)[O-])C1	ZINC001610239669	1171204976	/nfs/dbraw/zinc/20/49/76/1171204976.db2.gz	KGXKWDUOXNYYKX-WPRPVWTQSA-N	-1	0	314.319	0.404	20	30		DCEDRM
COc1ccc(S(=O)(=O)N2CC(C#N)C2)c(CC(=O)[O-])c1	ZINC001610345229	1171222841	/nfs/dbraw/zinc/22/28/41/1171222841.db2.gz	NEPVSWXWJNNPBG-UHFFFAOYSA-N	-1	0	310.331	0.466	20	30		DCEDRM
Cc1cc(NC(=O)N[C@]2(CC(=O)[O-])CCOC2)nn1CCC#N	ZINC001610474059	1171240722	/nfs/dbraw/zinc/24/07/22/1171240722.db2.gz	XXFOFSAZSZBREZ-AWEZNQCLSA-N	-1	0	321.337	0.861	20	30		DCEDRM
Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1C#N	ZINC001610484235	1171242025	/nfs/dbraw/zinc/24/20/25/1171242025.db2.gz	QKNDDBCYAKAEOI-LBPRGKRZSA-N	-1	0	301.302	0.282	20	30		DCEDRM
Cc1nc(C)c(C#N)c(SCc2cn(CC(=O)[O-])nn2)n1	ZINC001610552793	1171253067	/nfs/dbraw/zinc/25/30/67/1171253067.db2.gz	HYHZXJASPOCPOK-UHFFFAOYSA-N	-1	0	304.335	0.934	20	30		DCEDRM
Cn1ccc([C@@H](NCc2cnc3ccc(C#N)cn23)C(=O)[O-])n1	ZINC001610609796	1171267100	/nfs/dbraw/zinc/26/71/00/1171267100.db2.gz	PGJSLJCQFMUFPD-CQSZACIVSA-N	-1	0	310.317	0.855	20	30		DCEDRM
N#Cc1c(COC(=O)[C@H]2CCS(=O)(=O)C2)cccc1C(=O)[O-]	ZINC001610625467	1171271687	/nfs/dbraw/zinc/27/16/87/1171271687.db2.gz	VQSIKRSJMIYKIR-JTQLQIEISA-N	-1	0	323.326	0.734	20	30		DCEDRM
CC(C)[C@H](C#N)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001611134377	1171352283	/nfs/dbraw/zinc/35/22/83/1171352283.db2.gz	WARVQRFYTLCAOK-NSHDSACASA-N	-1	0	301.306	0.544	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC001616311065	1171378192	/nfs/dbraw/zinc/37/81/92/1171378192.db2.gz	IVELBDDTMYBMGZ-UHFFFAOYSA-N	-1	0	306.322	0.002	20	30		DCEDRM
C=C[C@H](C)ONC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001628287545	1171523593	/nfs/dbraw/zinc/52/35/93/1171523593.db2.gz	YQLADOSOGBBDIU-JTQLQIEISA-N	-1	0	303.322	0.808	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN1C(=O)CCCC1=O	ZINC001628518358	1171529998	/nfs/dbraw/zinc/52/99/98/1171529998.db2.gz	MXOFGIDRSOLBSV-UHFFFAOYSA-N	-1	0	316.317	0.236	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C(=O)OC	ZINC001632088771	1171610785	/nfs/dbraw/zinc/61/07/85/1171610785.db2.gz	FNUUNOQHMANYGH-ZETCQYMHSA-N	-1	0	300.340	0.226	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2ccc(F)nc2)c(=O)[n-]c1=O	ZINC001635580847	1171709087	/nfs/dbraw/zinc/70/90/87/1171709087.db2.gz	BEVPKGHHFZDWJG-UHFFFAOYSA-N	-1	0	303.253	0.383	20	30		DCEDRM
C#CCn1cc(CNC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)cn1	ZINC001635749434	1171713695	/nfs/dbraw/zinc/71/36/95/1171713695.db2.gz	KWPLPHVVRIPFEB-UHFFFAOYSA-N	-1	0	323.312	0.790	20	30		DCEDRM
C#Cc1ccc(C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)cn1	ZINC001637646525	1171773383	/nfs/dbraw/zinc/77/33/83/1171773383.db2.gz	NRWVSAWUUAAHQM-UHFFFAOYSA-N	-1	0	317.326	0.668	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC(C)(C)C2CCOCC2)c(C#N)c1=O	ZINC001646638016	1172451423	/nfs/dbraw/zinc/45/14/23/1172451423.db2.gz	YGSTYXYOHOTULS-UHFFFAOYSA-N	-1	0	306.366	0.810	20	30		DCEDRM
CC(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@H](C#N)C1	ZINC001646852527	1172563258	/nfs/dbraw/zinc/56/32/58/1172563258.db2.gz	JSJFRQIDVQIYSD-LLVKDONJSA-N	-1	0	315.381	0.898	20	30		DCEDRM
CCCO[C@@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001647629003	1173006259	/nfs/dbraw/zinc/00/62/59/1173006259.db2.gz	XXFTZBPUFTUKLK-LLVKDONJSA-N	-1	0	306.366	0.731	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](C2CC2)[C@H]2CCCCO2)c(C#N)c1=O	ZINC001647628033	1173006342	/nfs/dbraw/zinc/00/63/42/1173006342.db2.gz	ASHHGEAODJAKFE-VXGBXAGGSA-N	-1	0	304.350	0.705	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)ccn1	ZINC001649816770	1173242395	/nfs/dbraw/zinc/24/23/95/1173242395.db2.gz	GSXFAYMFSLNBIK-UHFFFAOYSA-N	-1	0	318.314	0.476	20	30		DCEDRM
CS[C@@H]1CC[C@@H](N(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001649949194	1173329794	/nfs/dbraw/zinc/32/97/94/1173329794.db2.gz	MHSHRNCYYCUEFC-GHMZBOCLSA-N	-1	0	322.390	0.563	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC(CC3CCOCC3)C2)c(C#N)c1=O	ZINC001650231514	1173526712	/nfs/dbraw/zinc/52/67/12/1173526712.db2.gz	MXABKWPQQHCFFF-UHFFFAOYSA-N	-1	0	304.350	0.198	20	30		DCEDRM
O=C(CCCn1c(=O)[n-][nH]c1=O)NCC#C[C@@H]1CCCCO1	ZINC001653543923	1173789788	/nfs/dbraw/zinc/78/97/88/1173789788.db2.gz	HHHIEOZNCVGNRA-NSHDSACASA-N	-1	0	308.338	0.158	20	30		DCEDRM
N#Cc1cn(C2CN(c3ccc([N+](=O)[O-])nc3)C2)c(=O)[n-]c1=O	ZINC001655677528	1173826406	/nfs/dbraw/zinc/82/64/06/1173826406.db2.gz	DGNYVSCVTNPNEP-UHFFFAOYSA-N	-1	0	314.261	0.185	20	30		DCEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@@H]1CCN(CC#CCOC)C1	ZINC001665708994	1174554715	/nfs/dbraw/zinc/55/47/15/1174554715.db2.gz	GPTQEXPGGFRJEC-CYBMUJFWSA-N	-1	0	320.393	0.610	20	30		DCEDRM
COC(=O)c1cn[n-]c1S(=O)(=O)Oc1cccnc1C#N	ZINC001669025329	1174878651	/nfs/dbraw/zinc/87/86/51/1174878651.db2.gz	RRDAOSCMBAWILY-UHFFFAOYSA-N	-1	0	308.275	0.231	20	30		DCEDRM
CO[N-]C(=O)CNS(=O)(=O)c1cccc(C#N)c1Cl	ZINC001671915326	1175044934	/nfs/dbraw/zinc/04/49/34/1175044934.db2.gz	OVLRUWAPQMKBTL-UHFFFAOYSA-N	-1	0	303.727	0.168	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCC[C@H](C)NC(=O)[C@@H](C)C#N)c1[O-]	ZINC001679463740	1175732700	/nfs/dbraw/zinc/73/27/00/1175732700.db2.gz	ZQUJLDXAYQVZKM-IUCAKERBSA-N	-1	0	307.354	0.598	20	30		DCEDRM
N#CCN[C@H]1CCC[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC001690775592	1177322755	/nfs/dbraw/zinc/32/27/55/1177322755.db2.gz	WMAIHFVXSHDFSH-WDEREUQCSA-N	-1	0	322.369	0.010	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001690808851	1177329193	/nfs/dbraw/zinc/32/91/93/1177329193.db2.gz	XRDGOCIMETYLSP-GFCCVEGCSA-N	-1	0	305.382	0.593	20	30		DCEDRM
C[C@](CNCC#N)(NC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CC1	ZINC001698651543	1177600975	/nfs/dbraw/zinc/60/09/75/1177600975.db2.gz	HNAHPMBNSJHOIB-OAHLLOKOSA-N	-1	0	315.333	0.940	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001699711543	1178260047	/nfs/dbraw/zinc/26/00/47/1178260047.db2.gz	PKFPLVNMNIITFW-JTQLQIEISA-N	-1	0	309.370	0.134	20	30		DCEDRM
C=CCOCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001701120432	1178931092	/nfs/dbraw/zinc/93/10/92/1178931092.db2.gz	VIGQZIBICBNZAT-RKDXNWHRSA-N	-1	0	310.354	0.249	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)C[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001701613268	1179088954	/nfs/dbraw/zinc/08/89/54/1179088954.db2.gz	GFNXBIADIGCFPA-VFZGTOFNSA-N	-1	0	324.381	0.328	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC(C)C)c1[O-]	ZINC001702460277	1179203722	/nfs/dbraw/zinc/20/37/22/1179203722.db2.gz	TUTCSKRYXCOIFI-LBPRGKRZSA-N	-1	0	318.377	0.756	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001703124321	1179315838	/nfs/dbraw/zinc/31/58/38/1179315838.db2.gz	OKYHETSNPBNKEK-SNVBAGLBSA-N	-1	0	310.354	0.251	20	30		DCEDRM
O=C(C#CC1CC1)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001713213783	1180722591	/nfs/dbraw/zinc/72/25/91/1180722591.db2.gz	SPTBEJDNCDDQSD-GFCCVEGCSA-N	-1	0	303.366	0.252	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)C[C@@H](C)NC(=O)C#CC2CC2)c1[O-]	ZINC001718918548	1183391494	/nfs/dbraw/zinc/39/14/94/1183391494.db2.gz	JGAIMNSCWVCNPE-NXEZZACHSA-N	-1	0	318.377	0.850	20	30		DCEDRM
C=CCOCC(=O)N(CC)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001732179389	1185723535	/nfs/dbraw/zinc/72/35/35/1185723535.db2.gz	GTZUKYWFWUGBNA-LLVKDONJSA-N	-1	0	309.370	0.136	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1CCN1CC#N	ZINC001733237501	1186197645	/nfs/dbraw/zinc/19/76/45/1186197645.db2.gz	NTOOOLRCAJTKLF-MRVPVSSYSA-N	-1	0	306.288	0.158	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C#CC3CC3)[C@H]2C)c1[O-]	ZINC001735302884	1186859274	/nfs/dbraw/zinc/85/92/74/1186859274.db2.gz	QCVWORAFYUABHK-ZYHUDNBSSA-N	-1	0	316.361	0.556	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCCCNC(=O)[C@@H](C)C#N)c1[O-]	ZINC001735669260	1186933625	/nfs/dbraw/zinc/93/36/25/1186933625.db2.gz	QXQVJTCEXWCPLP-VHSXEESVSA-N	-1	0	321.381	0.988	20	30		DCEDRM
C=CCCOCC(=O)N1CCC(NC(=O)c2cn[nH]n2)CC1	ZINC001737059618	1187227944	/nfs/dbraw/zinc/22/79/44/1187227944.db2.gz	XYQURVZNUQVRFK-UHFFFAOYSA-N	-1	0	307.354	0.118	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001753123911	1188507240	/nfs/dbraw/zinc/50/72/40/1188507240.db2.gz	RBWNSAAEKOQLNA-VXGBXAGGSA-N	-1	0	323.397	0.430	20	30		DCEDRM
CCCN(C(=O)C#CC1CC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001753315620	1188562099	/nfs/dbraw/zinc/56/20/99/1188562099.db2.gz	BXVAKUGCVHELTF-CYBMUJFWSA-N	-1	0	317.393	0.737	20	30		DCEDRM
CCN(CCCNC(=O)[C@H](C)C#N)C(=O)c1n[nH]c(C)c1[O-]	ZINC001758521525	1189915163	/nfs/dbraw/zinc/91/51/63/1189915163.db2.gz	KYVNLQHMSCHAIG-SECBINFHSA-N	-1	0	307.354	0.552	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001758671932	1189954223	/nfs/dbraw/zinc/95/42/23/1189954223.db2.gz	ZMUVKAPNFQFNPU-XYPYZODXSA-N	-1	0	302.334	0.214	20	30		DCEDRM
Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1Cc2cccc(C#N)c2C1	ZINC001772162888	1190618329	/nfs/dbraw/zinc/61/83/29/1190618329.db2.gz	VAJOAOHNVYZOCG-UHFFFAOYSA-N	-1	0	307.317	0.431	20	30		DCEDRM
C#CCC1(C(=O)NCC2CC([NH2+]Cc3n[nH]c(=O)[n-]3)C2)CCC1	ZINC001100396451	746915378	/nfs/dbraw/zinc/91/53/78/746915378.db2.gz	CGLXYMSDUZQRFM-UHFFFAOYSA-N	-1	0	317.393	0.688	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2CC#N)c1[O-]	ZINC001087350603	747742840	/nfs/dbraw/zinc/74/28/40/747742840.db2.gz	DLBWXNDAPKYLJB-RNJOBUHISA-N	-1	0	315.377	0.730	20	30		DCEDRM
C=CCN(C(=O)C(=O)N(CCOC)CCC(=O)[O-])C(C)C	ZINC000904935634	750429960	/nfs/dbraw/zinc/42/99/60/750429960.db2.gz	CQEBLDNBVKPDEG-UHFFFAOYSA-N	-1	0	300.355	0.359	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)Nc2nccnc2C#N)c1[O-]	ZINC001112992145	762075132	/nfs/dbraw/zinc/07/51/32/762075132.db2.gz	WCWPOSSFHCTYQP-JGVFFNPUSA-N	-1	0	315.337	0.704	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NCC1(NC(=O)c2cn[nH]n2)CCC1	ZINC001062667402	754863515	/nfs/dbraw/zinc/86/35/15/754863515.db2.gz	WKDPDBXRMLBZEB-LLVKDONJSA-N	-1	0	321.381	0.555	20	30		DCEDRM
C#CCOCCCOC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC001123355178	767968766	/nfs/dbraw/zinc/96/87/66/767968766.db2.gz	CFTGINFPEYNCOC-UHFFFAOYSA-N	-1	0	303.318	0.457	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CN(C)c2nccnc2C#N)c1[O-]	ZINC001108900839	761128196	/nfs/dbraw/zinc/12/81/96/761128196.db2.gz	CHWJCLNYQKSGKM-MRVPVSSYSA-N	-1	0	315.337	0.340	20	30		DCEDRM
COc1ccc(C(=NC(=O)c2cc(O)c([O-])c(O)c2)NO)nc1	ZINC001148589891	768021458	/nfs/dbraw/zinc/02/14/58/768021458.db2.gz	PSRVJZPWBUMNNG-UHFFFAOYSA-N	-1	0	319.273	0.773	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001099947202	763155327	/nfs/dbraw/zinc/15/53/27/763155327.db2.gz	RUHLABXLVFUHKK-WDEREUQCSA-N	-1	0	323.397	0.164	20	30		DCEDRM
C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001100021058	763225281	/nfs/dbraw/zinc/22/52/81/763225281.db2.gz	WXDJLWCKRHAQOO-WDEREUQCSA-N	-1	0	323.397	0.164	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001132529488	764500434	/nfs/dbraw/zinc/50/04/34/764500434.db2.gz	NJRPQESGIWRQCS-VXGBXAGGSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001132529485	764501297	/nfs/dbraw/zinc/50/12/97/764501297.db2.gz	NJRPQESGIWRQCS-NEPJUHHUSA-N	-1	0	323.397	0.572	20	30		DCEDRM
CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1ccnc(C#N)n1	ZINC001103046361	764920848	/nfs/dbraw/zinc/92/08/48/764920848.db2.gz	RPDFWHLDIWSROL-SECBINFHSA-N	-1	0	315.337	0.128	20	30		DCEDRM
Cc1n[n-]c(=S)n(N=Cc2c(O)cc(O)c(C)c2O)c1=O	ZINC001116826888	765915552	/nfs/dbraw/zinc/91/55/52/765915552.db2.gz	QCYOGPQNNXNLBS-UHFFFAOYSA-N	-1	0	308.319	0.543	20	30		DCEDRM
N#Cc1c(NC(=O)c2c[n-]n3c2nccc3=O)n[nH]c1C1CC1	ZINC001171016486	766474735	/nfs/dbraw/zinc/47/47/35/766474735.db2.gz	JGKWBICGGRGRAH-UHFFFAOYSA-N	-1	0	309.289	0.747	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCc2nn(C)cc21)C(=O)[O-]	ZINC001119580991	766737812	/nfs/dbraw/zinc/73/78/12/766737812.db2.gz	STUSHTNYGZXGLU-ZWNOBZJWSA-N	-1	0	307.350	0.612	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc3c[nH]nc3c2)c(=O)[n-]c1=O	ZINC001141382622	768577978	/nfs/dbraw/zinc/57/79/78/768577978.db2.gz	DDBFWEBYLWBAMK-UHFFFAOYSA-N	-1	0	310.273	0.336	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCCCC2CC2)c(=O)[n-]c1=O	ZINC001171668870	769344081	/nfs/dbraw/zinc/34/40/81/769344081.db2.gz	PQQIHQOMEHDTPA-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cn(C)ccc1=O	ZINC001234028346	769530437	/nfs/dbraw/zinc/53/04/37/769530437.db2.gz	DRHOJAGCPUFTPR-JTQLQIEISA-N	-1	0	303.336	0.223	20	30		DCEDRM
CCC1=C(Oc2c(C(=O)OC)n[n-]c2C(=O)OC)C(=O)[C@H](C)O1	ZINC001234190595	769579662	/nfs/dbraw/zinc/57/96/62/769579662.db2.gz	SYVPCDKFFPDUPR-LURJTMIESA-N	-1	0	324.289	0.971	20	30		DCEDRM
N#Cc1cccc2nc(=O)[nH]c(OC(=O)[C@H](O)CCC(=O)[O-])c12	ZINC001234511577	769679193	/nfs/dbraw/zinc/67/91/93/769679193.db2.gz	RDXQQOIAYLXCQU-SECBINFHSA-N	-1	0	317.257	0.338	20	30		DCEDRM
CC(C)C[C@H](NC(=O)c1c[n-]c2cccnc2c1=O)C(=O)NO	ZINC001153863762	769971189	/nfs/dbraw/zinc/97/11/89/769971189.db2.gz	SITKBMAEFFLBNR-NSHDSACASA-N	-1	0	318.333	0.573	20	30		DCEDRM
N#Cc1ccc2[nH]c(C(=O)NCc3n[nH]c(=O)[n-]3)cc(=O)c2c1	ZINC001154559253	770220253	/nfs/dbraw/zinc/22/02/53/770220253.db2.gz	KIZVCZIGBPQRIV-UHFFFAOYSA-N	-1	0	310.273	0.153	20	30		DCEDRM
C=CCCn1cc(CN[C@@H](C)c2nc(C(=O)OCC)n[nH]2)nn1	ZINC001182604790	771520821	/nfs/dbraw/zinc/52/08/21/771520821.db2.gz	KTCKLOUYOCAYAD-JTQLQIEISA-N	-1	0	319.369	1.000	20	30		DCEDRM
COC(=O)[C@]1(C)COCCN1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244908	771763101	/nfs/dbraw/zinc/76/31/01/771763101.db2.gz	ZFTNUHYIFKVCCJ-INIZCTEOSA-N	-1	0	306.338	0.827	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC(=O)N(CC)CC	ZINC001205315863	771832706	/nfs/dbraw/zinc/83/27/06/771832706.db2.gz	OCCQSRNMRURWGQ-LLVKDONJSA-N	-1	0	309.384	0.330	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1cnc(C)cn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001159645722	771938078	/nfs/dbraw/zinc/93/80/78/771938078.db2.gz	HWESZWCQKRPZPT-QMTHXVAHSA-N	-1	0	322.390	0.750	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1cncc(C)n1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001159647564	771938908	/nfs/dbraw/zinc/93/89/08/771938908.db2.gz	RYCBBBTUJDCRMY-QMTHXVAHSA-N	-1	0	322.390	0.750	20	30		DCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2	ZINC001186895721	772102433	/nfs/dbraw/zinc/10/24/33/772102433.db2.gz	BFSVHDYCKOOYFX-UHFFFAOYSA-N	-1	0	314.326	0.753	20	30		DCEDRM
CSc1nc(Cl)c(C#N)c(NCC(=O)CCC(=O)[O-])n1	ZINC001160871127	772130205	/nfs/dbraw/zinc/13/02/05/772130205.db2.gz	HYTZNSMZMZHDDK-UHFFFAOYSA-N	-1	0	314.754	0.991	20	30		DCEDRM
N#Cc1cnn(-c2ncccn2)c1[N-]S(=O)(=O)c1ccoc1	ZINC001188576894	772327243	/nfs/dbraw/zinc/32/72/43/772327243.db2.gz	RJANODMEUKSQFZ-UHFFFAOYSA-N	-1	0	316.302	0.928	20	30		DCEDRM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1n[nH]cc1C#N	ZINC001162743142	772414705	/nfs/dbraw/zinc/41/47/05/772414705.db2.gz	DJJNZNGMVFWHEH-UHFFFAOYSA-N	-1	0	311.305	0.828	20	30		DCEDRM
C=CCCOCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001190425305	772628799	/nfs/dbraw/zinc/62/87/99/772628799.db2.gz	UXTGQVVNAIXPTG-NWDGAFQWSA-N	-1	0	321.381	0.136	20	30		DCEDRM
N#Cc1c(N)nn(C(=O)c2nc(Br)ccc2[O-])c1N	ZINC001191733727	772818011	/nfs/dbraw/zinc/81/80/11/772818011.db2.gz	OISCPHDWPNWZPB-UHFFFAOYSA-N	-1	0	323.110	0.471	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1c(C#N)cnn1-c1ncccn1	ZINC001193105331	773005737	/nfs/dbraw/zinc/00/57/37/773005737.db2.gz	UTSTZJFFRXRVOB-QMMMGPOBSA-N	-1	0	303.307	0.188	20	30		DCEDRM
COC(=O)c1nc(Cl)cnc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193104010	773005807	/nfs/dbraw/zinc/00/58/07/773005807.db2.gz	CQQULMRGIMHHOL-YFKPBYRVSA-N	-1	0	304.715	0.570	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1nc(Cl)c(Cl)nc1CO	ZINC001193106720	773005871	/nfs/dbraw/zinc/00/58/71/773005871.db2.gz	JCGPSRWTWUJWDU-SCSAIBSYSA-N	-1	0	311.150	0.929	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1csc(N2CCOCC2)n1	ZINC001193107405	773006821	/nfs/dbraw/zinc/00/68/21/773006821.db2.gz	VKCQIMHSCDMJJZ-MRVPVSSYSA-N	-1	0	302.381	0.633	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1nc(Cl)nc2c1ncn2C	ZINC001193112409	773006853	/nfs/dbraw/zinc/00/68/53/773006853.db2.gz	SUPFKUQRJLOMQC-RXMQYKEDSA-N	-1	0	300.731	0.670	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ncc(Br)[nH]c1=O	ZINC001193173805	773013948	/nfs/dbraw/zinc/01/39/48/773013948.db2.gz	UPTSLUFOKVZVSB-SCSAIBSYSA-N	-1	0	307.129	0.186	20	30		DCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1c(C#N)cnc2ccnn21	ZINC001193557228	773083936	/nfs/dbraw/zinc/08/39/36/773083936.db2.gz	MHUZBZPHCDTNMQ-UHFFFAOYSA-N	-1	0	303.307	0.135	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001195173469	773344187	/nfs/dbraw/zinc/34/41/87/773344187.db2.gz	ACIJMCQOIGVDOL-GFCCVEGCSA-N	-1	0	323.397	0.526	20	30		DCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195254236	773357182	/nfs/dbraw/zinc/35/71/82/773357182.db2.gz	KBQYGFPMHACNOI-LURJTMIESA-N	-1	0	307.274	0.488	20	30		DCEDRM
N#C[C@H]1CNCCN1C(=O)c1c([O-])c(F)c(F)c(F)c1F	ZINC001195291601	773371642	/nfs/dbraw/zinc/37/16/42/773371642.db2.gz	ZQXUXPLYZFSVPC-YFKPBYRVSA-N	-1	0	303.215	0.886	20	30		DCEDRM
N#Cc1cccnc1C(=O)NC(=N)SCCS(=O)(=O)[O-]	ZINC001196561108	773619011	/nfs/dbraw/zinc/61/90/11/773619011.db2.gz	GMXZFSUHVCCKHY-UHFFFAOYSA-N	-1	0	314.348	0.239	20	30		DCEDRM
C=C(C)C[C@H]([N-]S(=O)(=O)Cc1nocc1C)C(=O)OC	ZINC001213385175	773841064	/nfs/dbraw/zinc/84/10/64/773841064.db2.gz	OOJZLRNVSFSXPK-JTQLQIEISA-N	-1	0	302.352	0.910	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001110533705	774126657	/nfs/dbraw/zinc/12/66/57/774126657.db2.gz	CCCNWAACFIOIGF-UTUOFQBUSA-N	-1	0	303.366	0.391	20	30		DCEDRM
N#Cc1nc2ccc(NC(=O)[C@@H]([NH3+])Cc3nnn[n-]3)cc2s1	ZINC001218910989	774325305	/nfs/dbraw/zinc/32/53/05/774325305.db2.gz	UMFXWCAOFCQIOT-ZETCQYMHSA-N	-1	0	314.334	0.190	20	30		DCEDRM
C#Cc1cc([N-]S(=O)(=O)c2cncc(C(=O)OC)c2)ccn1	ZINC001201842589	774564978	/nfs/dbraw/zinc/56/49/78/774564978.db2.gz	XGNYZKRMSXKNPC-UHFFFAOYSA-N	-1	0	317.326	0.467	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]C(=O)c1cnc(CN)s1	ZINC001220415832	774802269	/nfs/dbraw/zinc/80/22/69/774802269.db2.gz	ZARWUZVLUGJJPW-UHFFFAOYSA-N	-1	0	306.307	0.537	20	30		DCEDRM
CC(C)(C)C#CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001221536596	775143730	/nfs/dbraw/zinc/14/37/30/775143730.db2.gz	WIAVCVXSYQTYCS-VXGBXAGGSA-N	-1	0	317.393	0.593	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCN(C)c2ncccc2C#N)c1[O-]	ZINC001095513817	775196351	/nfs/dbraw/zinc/19/63/51/775196351.db2.gz	OCBPNFBUPCLPNW-UHFFFAOYSA-N	-1	0	314.349	0.947	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cccc(C#N)n1	ZINC001223061199	775458541	/nfs/dbraw/zinc/45/85/41/775458541.db2.gz	FYHIAXNDLQTPTG-ZDUSSCGKSA-N	-1	0	312.347	0.929	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@@H](C)COC(C)=O	ZINC001224793615	775606638	/nfs/dbraw/zinc/60/66/38/775606638.db2.gz	YZPVRDVFQGQUQW-JQWIXIFHSA-N	-1	0	310.368	0.661	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1[nH]c(=O)ncc1C	ZINC001226327583	775801902	/nfs/dbraw/zinc/80/19/02/775801902.db2.gz	ZGBIEYJOSHRVRV-VIFPVBQESA-N	-1	0	304.324	0.328	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(OC)nc1	ZINC001228059556	776042591	/nfs/dbraw/zinc/04/25/91/776042591.db2.gz	XKPQKXIMVVCRLY-LLVKDONJSA-N	-1	0	303.336	0.928	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1	ZINC001602713787	1169168108	/nfs/dbraw/zinc/16/81/08/1169168108.db2.gz	TVRCCCOIEGVWGC-UHFFFAOYSA-N	-1	0	324.720	0.834	20	30		DCEDRM
C#Cc1ccc(C(=O)NCCN(CC)Cc2n[nH]c(=O)[n-]2)cn1	ZINC001266431529	939116029	/nfs/dbraw/zinc/11/60/29/939116029.db2.gz	HNDZRDZFHNWEML-UHFFFAOYSA-N	-1	0	314.349	0.139	20	30		DCEDRM
N#CCNC[C@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001267061546	939328268	/nfs/dbraw/zinc/32/82/68/939328268.db2.gz	MFZOWJXNBPLZNG-LLVKDONJSA-N	-1	0	311.345	0.911	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001268022363	939743599	/nfs/dbraw/zinc/74/35/99/939743599.db2.gz	PYHJALBZMAEHSS-NSHDSACASA-N	-1	0	323.397	0.430	20	30		DCEDRM
C#CCN1CC[C@@]2(CCCN2C(=O)c2cnc[nH]c2=O)C1=O	ZINC001271629293	941413260	/nfs/dbraw/zinc/41/32/60/941413260.db2.gz	ARQGJEYFZFULJA-HNNXBMFYSA-N	-1	0	300.318	0.023	20	30		DCEDRM
C#CCN1CC[C@@]2(CCN(C(=O)c3ccc([O-])c(C#N)c3)C2)C1=O	ZINC001272217112	941818434	/nfs/dbraw/zinc/81/84/34/941818434.db2.gz	DSJRFCRXTOPVLK-SFHVURJKSA-N	-1	0	323.352	0.962	20	30		DCEDRM
C=CCN1CC2(CN(C(=O)c3ccc(F)c(O)c3)C2)OCC1=O	ZINC001272227637	941835052	/nfs/dbraw/zinc/83/50/52/941835052.db2.gz	QJRDJCQOMCHDQM-UHFFFAOYSA-N	-1	0	320.320	0.771	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC(O)(C3CCC3)CC2)c(C#N)c1=O	ZINC001412911127	942135761	/nfs/dbraw/zinc/13/57/61/942135761.db2.gz	JGIDBZSSKFOIMH-UHFFFAOYSA-N	-1	0	304.350	0.077	20	30		DCEDRM
CO[C@H]([C@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001412970051	942162600	/nfs/dbraw/zinc/16/26/00/942162600.db2.gz	TZCHIAAWXZOORU-TVQRCGJNSA-N	-1	0	320.349	0.140	20	30		DCEDRM
CCC(F)(F)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413271157	942597446	/nfs/dbraw/zinc/59/74/46/942597446.db2.gz	ZQTCMSGMGHANJF-UHFFFAOYSA-N	-1	0	300.265	0.372	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001088868758	942605201	/nfs/dbraw/zinc/60/52/01/942605201.db2.gz	WVXWSZRDXZUVTK-WYUUTHIRSA-N	-1	0	321.381	0.180	20	30		DCEDRM
Cc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c(O)c1	ZINC001413310360	942620473	/nfs/dbraw/zinc/62/04/73/942620473.db2.gz	OZWMUSFMDZSJRX-UHFFFAOYSA-N	-1	0	314.301	0.265	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@H]2CCN2CC#N)cc1=O	ZINC001483666844	942647094	/nfs/dbraw/zinc/64/70/94/942647094.db2.gz	VYCWPILVYPCBMM-CYBMUJFWSA-N	-1	0	305.382	0.089	20	30		DCEDRM
C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1cc(=O)[nH][n-]1	ZINC001272283575	942660728	/nfs/dbraw/zinc/66/07/28/942660728.db2.gz	VKKOHCCYPBFQBR-OAHLLOKOSA-N	-1	0	304.350	0.899	20	30		DCEDRM
C#CCN1CCC2(CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)C1=O	ZINC001272282853	942661210	/nfs/dbraw/zinc/66/12/10/942661210.db2.gz	LJKNVSQAFQKAMN-UHFFFAOYSA-N	-1	0	302.334	0.203	20	30		DCEDRM
C#CCN1CC2(CN(C(=O)c3cccc([S-])c3)C2)OCC1=O	ZINC001272379569	942726845	/nfs/dbraw/zinc/72/68/45/942726845.db2.gz	NFLDFBBVIRLPIW-UHFFFAOYSA-N	-1	0	316.382	0.662	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC[C@@H]2CCCS2)c(=O)[n-]c1=O	ZINC001413333630	942900698	/nfs/dbraw/zinc/90/06/98/942900698.db2.gz	WAHXQILJLUOZNN-JTQLQIEISA-N	-1	0	308.363	0.222	20	30		DCEDRM
COC[C@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)c1nnn[n-]1	ZINC001413553396	943071069	/nfs/dbraw/zinc/07/10/69/943071069.db2.gz	LFQCMHRSCOMTHQ-MFKMUULPSA-N	-1	0	314.349	0.754	20	30		DCEDRM
C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001483986461	943070957	/nfs/dbraw/zinc/07/09/57/943070957.db2.gz	GRDRLHXBUOHBJO-AAEUAGOBSA-N	-1	0	317.393	0.593	20	30		DCEDRM
C#CCOC[C@@H](O)CNc1ccc(OC)cc1S(=O)(=O)[O-]	ZINC001251867613	945804905	/nfs/dbraw/zinc/80/49/05/945804905.db2.gz	JZNOANTXQNYTNS-JTQLQIEISA-N	-1	0	315.347	0.365	20	30		DCEDRM
C=CC[C@H](NC(=O)CN1C(=O)COc2ccccc21)C(=O)[O-]	ZINC001321166387	946196206	/nfs/dbraw/zinc/19/62/06/946196206.db2.gz	DDYUWCVATKTYNR-JTQLQIEISA-N	-1	0	304.302	0.558	20	30		DCEDRM
C[C@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)c1ccc(C#N)cc1	ZINC001321491407	946349398	/nfs/dbraw/zinc/34/93/98/946349398.db2.gz	BHXRTEQVJSWMPM-WCQYABFASA-N	-1	0	317.345	0.820	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC001255036385	946461084	/nfs/dbraw/zinc/46/10/84/946461084.db2.gz	NXGPOKPQKBFYFS-QMMMGPOBSA-N	-1	0	304.306	0.675	20	30		DCEDRM
C#CC1(O)CN(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1	ZINC001602672320	971237168	/nfs/dbraw/zinc/23/71/68/971237168.db2.gz	KCOJNRIVEQPCMZ-OAHLLOKOSA-N	-1	0	302.330	0.418	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602674691	971242769	/nfs/dbraw/zinc/24/27/69/971242769.db2.gz	AIXCRHSJGCJSQW-LGESCRJUSA-N	-1	0	322.361	0.442	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)N1CSCCSC1	ZINC001602678677	971255586	/nfs/dbraw/zinc/25/55/86/971255586.db2.gz	DHGHXVUXXJFDAR-JTQLQIEISA-N	-1	0	302.421	0.618	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC001602678538	971256143	/nfs/dbraw/zinc/25/61/43/971256143.db2.gz	BBDFOFHGJCNHFE-LLVKDONJSA-N	-1	0	323.370	0.740	20	30		DCEDRM
C#CCN(C)c1cnc(-c2noc(COCC(=O)[O-])n2)cn1	ZINC001602679873	971262516	/nfs/dbraw/zinc/26/25/16/971262516.db2.gz	YICJGHPKSXXKSK-UHFFFAOYSA-N	-1	0	303.278	0.197	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN1C(=O)c1ccccc1	ZINC001602682810	971269521	/nfs/dbraw/zinc/26/95/21/971269521.db2.gz	VBADACPJUYGDRU-CQSZACIVSA-N	-1	0	314.341	0.838	20	30		DCEDRM
COC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC001258045090	946795056	/nfs/dbraw/zinc/79/50/56/946795056.db2.gz	DSNGNOXPIVXWIO-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCn1c(=O)oc2ccccc21	ZINC001602686010	971284135	/nfs/dbraw/zinc/28/41/35/971284135.db2.gz	NHUGIQOAGCDIBM-UHFFFAOYSA-N	-1	0	317.301	0.324	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1c(CC)nn(C)c1CC	ZINC001602686162	971286017	/nfs/dbraw/zinc/28/60/17/971286017.db2.gz	SNQHKAHYBXCDTO-UHFFFAOYSA-N	-1	0	306.366	0.774	20	30		DCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)CCc1ccc(F)cc1	ZINC001259764403	946981780	/nfs/dbraw/zinc/98/17/80/946981780.db2.gz	VRZILKFXVMPWDP-LBPRGKRZSA-N	-1	0	314.338	0.743	20	30		DCEDRM
C=CCS(=O)(=O)[N-]c1nn2cccnc2c1C(=O)OCC	ZINC001259922533	947021227	/nfs/dbraw/zinc/02/12/27/947021227.db2.gz	MXJFYPHOUFFRQD-UHFFFAOYSA-N	-1	0	310.335	0.834	20	30		DCEDRM
C=CCS(=O)(=O)[N-]c1ncc(C(=O)OC)cc1C(=O)OC	ZINC001259924207	947021400	/nfs/dbraw/zinc/02/14/00/947021400.db2.gz	OSQPBLFSZSNUPY-UHFFFAOYSA-N	-1	0	314.319	0.583	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C[S@](C)=O)n1CC(=C)C	ZINC001602700801	971321727	/nfs/dbraw/zinc/32/17/27/971321727.db2.gz	JUNASOCTWAXPIM-NRFANRHFSA-N	-1	0	310.379	0.257	20	30		DCEDRM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260180566	947078254	/nfs/dbraw/zinc/07/82/54/947078254.db2.gz	RZIBSDWCBQIGJP-ZETCQYMHSA-N	-1	0	314.758	0.748	20	30		DCEDRM
C#CCCCC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260182582	947078816	/nfs/dbraw/zinc/07/88/16/947078816.db2.gz	MDKXBNYMRSSJOT-UHFFFAOYSA-N	-1	0	313.770	0.860	20	30		DCEDRM
CC[C@H](C#N)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260181091	947080041	/nfs/dbraw/zinc/08/00/41/947080041.db2.gz	KRYUTTOHJWRBMD-ZCFIWIBFSA-N	-1	0	300.731	0.358	20	30		DCEDRM
N#C[C@@H](NS(=O)(=O)c1cc(F)c(F)cc1Cl)C(N)=O	ZINC001260289448	947090796	/nfs/dbraw/zinc/09/07/96/947090796.db2.gz	XZURKQIGEVTXSV-SSDOTTSWSA-N	-1	0	309.681	0.274	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccccc1F	ZINC001260630309	947131866	/nfs/dbraw/zinc/13/18/66/947131866.db2.gz	GFHONQPYZGBLQS-LLVKDONJSA-N	-1	0	300.311	0.700	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCO[C@@H]2C)n1CCOC	ZINC001602701132	971326578	/nfs/dbraw/zinc/32/65/78/971326578.db2.gz	XXQYDWMKSYOIMQ-NEPJUHHUSA-N	-1	0	322.365	0.341	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC[C@H]2C(=O)[O-])n1	ZINC001602704850	971338088	/nfs/dbraw/zinc/33/80/88/971338088.db2.gz	XKLFBWHWYCYVRD-UONOGXRCSA-N	-1	0	319.361	0.602	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001602704894	971339345	/nfs/dbraw/zinc/33/93/45/971339345.db2.gz	ZVPRTCDLVGFOSX-UHFFFAOYSA-N	-1	0	300.274	0.627	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(=O)OC	ZINC001602709488	971347039	/nfs/dbraw/zinc/34/70/39/971347039.db2.gz	CUBYGSGGXDSXEY-LLVKDONJSA-N	-1	0	322.317	0.171	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N(CCC(=O)OC)CC(=O)[O-])OCC	ZINC001602707505	971344349	/nfs/dbraw/zinc/34/43/49/971344349.db2.gz	XZFYZQAQSBKWCW-NSHDSACASA-N	-1	0	301.339	0.834	20	30		DCEDRM
CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC1	ZINC001261482314	947314315	/nfs/dbraw/zinc/31/43/15/947314315.db2.gz	INULPOFDEZBQPL-UHFFFAOYSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)NCc1ccccc1C(=O)[O-]	ZINC001602717350	971366124	/nfs/dbraw/zinc/36/61/24/971366124.db2.gz	JJZSAWKPBTWRJV-NSHDSACASA-N	-1	0	306.318	0.318	20	30		DCEDRM
C=CCN([C@H](C)COC)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001602722771	971389157	/nfs/dbraw/zinc/38/91/57/971389157.db2.gz	NLFPLVIYODXVAJ-LLVKDONJSA-N	-1	0	320.411	0.551	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1Br	ZINC001262102006	947561283	/nfs/dbraw/zinc/56/12/83/947561283.db2.gz	VMTHEBNVIQPTPS-UHFFFAOYSA-N	-1	0	320.168	0.266	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1cnc(Cl)n1C	ZINC001262102744	947561392	/nfs/dbraw/zinc/56/13/92/947561392.db2.gz	VLHBTWFVFQYZHD-UHFFFAOYSA-N	-1	0	321.786	0.861	20	30		DCEDRM
C=CCn1c([C@@H]2CCC(=O)NC2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602730235	971407895	/nfs/dbraw/zinc/40/78/95/971407895.db2.gz	XULFUPMECWFBPJ-GHMZBOCLSA-N	-1	0	319.365	0.369	20	30		DCEDRM
C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602731061	971411280	/nfs/dbraw/zinc/41/12/80/971411280.db2.gz	QHPRQRULELFJBK-UWVGGRQHSA-N	-1	0	305.338	0.326	20	30		DCEDRM
C=CCn1c(-c2cnc[nH]c2=O)nnc1N1C[C@@H]2COC[C@@H]2C1	ZINC001262957288	947789053	/nfs/dbraw/zinc/78/90/53/947789053.db2.gz	OOBFDPYNWGMONC-PHIMTYICSA-N	-1	0	314.349	0.709	20	30		DCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCS(=O)CC1	ZINC001262960664	947789622	/nfs/dbraw/zinc/78/96/22/947789622.db2.gz	JBWLVOXCVOACBZ-UHFFFAOYSA-N	-1	0	322.394	0.139	20	30		DCEDRM
CN(C)S(=O)(=O)[N-]C1=C(Cl)C(=O)c2ccccc2C1=O	ZINC001251100257	948059063	/nfs/dbraw/zinc/05/90/63/948059063.db2.gz	CSROWMWTKQIXHR-UHFFFAOYSA-N	-1	0	314.750	0.912	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(N(C)C(C)=O)nc1	ZINC001326484525	948178773	/nfs/dbraw/zinc/17/87/73/948178773.db2.gz	SIMCZMJUSFOZEJ-VIFPVBQESA-N	-1	0	306.322	0.625	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1	ZINC001326535428	948191742	/nfs/dbraw/zinc/19/17/42/948191742.db2.gz	SEVIROCFAGRCEP-WDEREUQCSA-N	-1	0	308.338	0.480	20	30		DCEDRM
C=CC[C@@H](NC(=O)NCc1nnc2n1CCCCC2)C(=O)[O-]	ZINC001326569796	948203210	/nfs/dbraw/zinc/20/32/10/948203210.db2.gz	CVEUGJBJVCWYNP-SNVBAGLBSA-N	-1	0	307.354	0.833	20	30		DCEDRM
C[C@H](C#N)CN(C)Cc1cc(=O)n2[n-]cc(-c3nn[nH]n3)c2n1	ZINC001570920533	948601754	/nfs/dbraw/zinc/60/17/54/948601754.db2.gz	RZKRIYQLFDDKBG-MRVPVSSYSA-N	-1	0	313.325	0.206	20	30		DCEDRM
N#Cc1ccc(NC(=O)Cn2ccc(-c3nnn[n-]3)cc2=O)cc1	ZINC001570922202	948636663	/nfs/dbraw/zinc/63/66/63/948636663.db2.gz	GIHPTQACACFIEN-UHFFFAOYSA-N	-1	0	321.300	0.539	20	30		DCEDRM
CC(C)[C@H](O)C1(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001574080650	948801536	/nfs/dbraw/zinc/80/15/36/948801536.db2.gz	UESNZTUYQRDYIN-LBPRGKRZSA-N	-1	0	314.353	0.737	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H]([C@]2(C)COC(=O)N2)C1	ZINC001602778141	971510912	/nfs/dbraw/zinc/51/09/12/971510912.db2.gz	BWAIYTHJUOJTJT-VQISRLSMSA-N	-1	0	323.349	0.728	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2c(cccc2C(N)=O)C1	ZINC001602780151	971517050	/nfs/dbraw/zinc/51/70/50/971517050.db2.gz	BANMHJHKRPGRSB-MRXNPFEDSA-N	-1	0	315.329	0.675	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCOC[C@]13CCOC3)cc2=O	ZINC001364394743	949183780	/nfs/dbraw/zinc/18/37/80/949183780.db2.gz	FOQSJXOINMZNLG-OAHLLOKOSA-N	-1	0	315.333	0.298	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N(CC)CC	ZINC001329807325	949886803	/nfs/dbraw/zinc/88/68/03/949886803.db2.gz	PGMJYTRHCKSFAS-LLVKDONJSA-N	-1	0	305.400	0.160	20	30		DCEDRM
CO/N=C/c1ccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)cc1	ZINC001548766635	1013102472	/nfs/dbraw/zinc/10/24/72/1013102472.db2.gz	WOQPJUINUWOHIQ-AAWHYMEISA-N	-1	0	300.322	0.810	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001589720939	950420824	/nfs/dbraw/zinc/42/08/24/950420824.db2.gz	YDWRNNAKVCKKQZ-AXFHLTTASA-N	-1	0	303.384	0.556	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2COC3(CCCCC3)O2)c(C#N)c1=O	ZINC001365221735	950761633	/nfs/dbraw/zinc/76/16/33/950761633.db2.gz	DHROXVCFMXIIOU-SNVBAGLBSA-N	-1	0	320.349	0.433	20	30		DCEDRM
CC1(C)C[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCO1	ZINC001575631547	950775562	/nfs/dbraw/zinc/77/55/62/950775562.db2.gz	PFWUKRCYCYXDIA-SSDOTTSWSA-N	-1	0	316.325	0.605	20	30		DCEDRM
N#Cc1cnn2c1ncc(C#N)c2[N-]S(=O)(=O)C(F)(F)F	ZINC001252285926	951059005	/nfs/dbraw/zinc/05/90/05/951059005.db2.gz	JVNRVKQECOLGNK-UHFFFAOYSA-N	-1	0	316.224	0.734	20	30		DCEDRM
O=C([O-])CC[C@@H]1C[C@H](C(=O)NCC#C[C@H]2CCCCO2)CO1	ZINC001595002308	951146946	/nfs/dbraw/zinc/14/69/46/951146946.db2.gz	SCPCEBNMWXOFEI-BFHYXJOUSA-N	-1	0	309.362	0.945	20	30		DCEDRM
Cc1nc2c(c(=O)[nH]1)CN(S(=O)(=O)N(C)C[C@H](C)C#N)C2	ZINC001365458552	951151195	/nfs/dbraw/zinc/15/11/95/951151195.db2.gz	BSFZWHIKTDYUCU-MRVPVSSYSA-N	-1	0	311.367	0.143	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)NC/C=C/C3CC3)C2)c(=O)[n-]c1=O	ZINC001331534934	951161761	/nfs/dbraw/zinc/16/17/61/951161761.db2.gz	WIMVLTVYWZNOMD-OWOJBTEDSA-N	-1	0	315.333	0.353	20	30		DCEDRM
COCCn1cc(S(=O)(=O)[N-]c2cccc(CC#N)n2)cn1	ZINC001365742513	951494758	/nfs/dbraw/zinc/49/47/58/951494758.db2.gz	ZNYAEKWDQHNVBS-UHFFFAOYSA-N	-1	0	321.362	0.791	20	30		DCEDRM
C=CCCOCC(=O)N(C)[C@H](C)CNC(=O)c1cnc[nH]c1=O	ZINC001334352718	952294144	/nfs/dbraw/zinc/29/41/44/952294144.db2.gz	GCRHRRUPUXIZCR-LLVKDONJSA-N	-1	0	322.365	0.352	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCS(=O)(=O)CC1CC1	ZINC001411883025	952506979	/nfs/dbraw/zinc/50/69/79/952506979.db2.gz	CYSKNHGYGIVBLK-UHFFFAOYSA-N	-1	0	323.374	0.522	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](S(C)(=O)=O)C1	ZINC001412056163	952625257	/nfs/dbraw/zinc/62/52/57/952625257.db2.gz	JJODHTLIFOPKHR-JTQLQIEISA-N	-1	0	309.347	0.226	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F	ZINC001335981269	952628016	/nfs/dbraw/zinc/62/80/16/952628016.db2.gz	JKSQUMOMSBRSLN-OCCSQVGLSA-N	-1	0	320.320	0.011	20	30		DCEDRM
CCS(=O)(=O)C1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001412126790	952655265	/nfs/dbraw/zinc/65/52/65/952655265.db2.gz	IRFFGGZKUQGUJJ-UHFFFAOYSA-N	-1	0	309.347	0.226	20	30		DCEDRM
CS[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412308986	952743390	/nfs/dbraw/zinc/74/33/90/952743390.db2.gz	NZKZKMUKUIKLBQ-GHMZBOCLSA-N	-1	0	322.390	0.611	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cn(Cc2ccccn2)nn1	ZINC001341784481	953250772	/nfs/dbraw/zinc/25/07/72/953250772.db2.gz	FEYRPATUIZWNDW-GFCCVEGCSA-N	-1	0	310.317	0.322	20	30		DCEDRM
Cn1c(=O)[nH]c(=O)c2cc(C([O-])=C(C#N)c3ccncn3)cnc21	ZINC001342675031	953301353	/nfs/dbraw/zinc/30/13/53/953301353.db2.gz	NPOUAQZKQDWXCC-JTQLQIEISA-N	-1	0	322.284	0.314	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1	ZINC001342689773	953301902	/nfs/dbraw/zinc/30/19/02/953301902.db2.gz	BLHJKTXQNOPGRT-UHFFFAOYSA-N	-1	0	308.359	0.784	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn2c(n1)CCCC2	ZINC001343378442	953341849	/nfs/dbraw/zinc/34/18/49/953341849.db2.gz	QZSIODVTAXOOCX-LLVKDONJSA-N	-1	0	304.350	0.695	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn2ccncc12	ZINC001343469781	953347896	/nfs/dbraw/zinc/34/78/96/953347896.db2.gz	IHRGPAHQSTYILH-SNVBAGLBSA-N	-1	0	301.306	0.204	20	30		DCEDRM
C=CCN1C(=O)N=NC1S(=O)(=O)Cc1nnc2n1CCCC2	ZINC001345218595	953618415	/nfs/dbraw/zinc/61/84/15/953618415.db2.gz	YIKVIUYERLLZNN-UHFFFAOYSA-N	-1	0	324.366	0.071	20	30		DCEDRM
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)COCC(=O)[O-])cc1	ZINC001593638373	953626781	/nfs/dbraw/zinc/62/67/81/953626781.db2.gz	ODOQMRIAERQKCS-LBPRGKRZSA-N	-1	0	304.302	0.998	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(c2cccc(C#N)n2)CC1	ZINC001602964594	971954657	/nfs/dbraw/zinc/95/46/57/971954657.db2.gz	GTIOJQNHGHOZPB-CQSZACIVSA-N	-1	0	316.361	0.959	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccnc2c1ncn2C	ZINC001347205416	954043291	/nfs/dbraw/zinc/04/32/91/954043291.db2.gz	VUSMKNIZPAZSPQ-SNVBAGLBSA-N	-1	0	308.301	0.907	20	30		DCEDRM
CN(CCc1cccc(C#N)c1)C(=O)C(=O)NCCCC(=O)[O-]	ZINC001593755315	954446382	/nfs/dbraw/zinc/44/63/82/954446382.db2.gz	FYXLPFGBBVLJKN-UHFFFAOYSA-N	-1	0	317.345	0.540	20	30		DCEDRM
CN(Cc1ccccc1)C(=O)[C@@H](C#N)C(=O)COCC(=O)[O-]	ZINC001593760045	954476951	/nfs/dbraw/zinc/47/69/51/954476951.db2.gz	OEZVNAKPXLRNKE-LBPRGKRZSA-N	-1	0	304.302	0.455	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)C1	ZINC001348839881	954496141	/nfs/dbraw/zinc/49/61/41/954496141.db2.gz	GZOFVUCMXHUPAJ-YNEHKIRRSA-N	-1	0	324.377	0.359	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(c1ccc(C#N)nn1)C[C@H]2C(=O)[O-]	ZINC001593825216	955098015	/nfs/dbraw/zinc/09/80/15/955098015.db2.gz	GKLBQEJKTXUDCT-UQACVICXSA-N	-1	0	316.317	0.438	20	30		DCEDRM
CC[C@H](CNC(=O)N1CCC(C#N)(C(=O)OC)CC1)C(=O)[O-]	ZINC001589527008	955127569	/nfs/dbraw/zinc/12/75/69/955127569.db2.gz	QQNUPSSPPWQEBF-SNVBAGLBSA-N	-1	0	311.338	0.586	20	30		DCEDRM
C=CC[C@H](NC(=O)N[C@H](COC)[C@H]1CCCOC1)C(=O)[O-]	ZINC001350694293	955168043	/nfs/dbraw/zinc/16/80/43/955168043.db2.gz	YMMIEYATUGRGBE-SDDRHHMPSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)N1CCc2ccccc21	ZINC001353498160	956082130	/nfs/dbraw/zinc/08/21/30/956082130.db2.gz	HVYOQIFRCPMDRJ-UHFFFAOYSA-N	-1	0	310.400	0.777	20	30		DCEDRM
N#CC1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCCC1	ZINC001594603532	956156422	/nfs/dbraw/zinc/15/64/22/956156422.db2.gz	DRHHKFDCEACCOR-UHFFFAOYSA-N	-1	0	315.395	0.701	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)Nc2ccnc(C(=O)[O-])c2)CC1	ZINC001594605922	956174882	/nfs/dbraw/zinc/17/48/82/956174882.db2.gz	MDUVDIJFSVGIOB-UHFFFAOYSA-N	-1	0	317.305	0.370	20	30		DCEDRM
N#CCC1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1	ZINC001594606095	956177613	/nfs/dbraw/zinc/17/76/13/956177613.db2.gz	OJEBUHBTTLTADR-ZDUSSCGKSA-N	-1	0	321.377	0.852	20	30		DCEDRM
N#C[C@H]1CN(C(=O)Nc2cccnc2C(=O)[O-])CCN1C1CC1	ZINC001594606433	956182799	/nfs/dbraw/zinc/18/27/99/956182799.db2.gz	XHMMSLJFODDAEK-NSHDSACASA-N	-1	0	315.333	0.984	20	30		DCEDRM
N#CCNC(=O)CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC001594609557	956193013	/nfs/dbraw/zinc/19/30/13/956193013.db2.gz	DIRATSMAVMZORU-LBPRGKRZSA-N	-1	0	316.317	0.020	20	30		DCEDRM
C[C@](O)(CNC(=O)Nc1ncccc1OCCCC#N)C(=O)[O-]	ZINC001589144741	956282110	/nfs/dbraw/zinc/28/21/10/956282110.db2.gz	UVECELGYEKICGM-AWEZNQCLSA-N	-1	0	322.321	0.721	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC=C(C(F)(F)F)CC2)c(C#N)c1=O	ZINC001354142263	956299020	/nfs/dbraw/zinc/29/90/20/956299020.db2.gz	WXBIHSBBTBCPMK-UHFFFAOYSA-N	-1	0	300.240	0.644	20	30		DCEDRM
N#Cc1cccnc1N1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1	ZINC001594631584	956343155	/nfs/dbraw/zinc/34/31/55/956343155.db2.gz	FFVZSYPVQCAIRE-UHFFFAOYSA-N	-1	0	314.345	0.857	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)/C=C/c2ccc(C(=O)[O-])o2)n1	ZINC001594634855	956364764	/nfs/dbraw/zinc/36/47/64/956364764.db2.gz	BTKKEOIWIFTVKC-DUXPYHPUSA-N	-1	0	301.262	0.271	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)CC2(C#N)CCOCC2)C1	ZINC001593961967	956494516	/nfs/dbraw/zinc/49/45/16/956494516.db2.gz	ZHYGJHZBEOPSJP-OAHLLOKOSA-N	-1	0	310.350	0.647	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(c2nnc([C@@H]3C[C@H]3C#N)n2C)C1	ZINC001593969779	956595590	/nfs/dbraw/zinc/59/55/90/956595590.db2.gz	DMSMDKUBMWMRPG-RBZYPMLTSA-N	-1	0	305.338	0.370	20	30		DCEDRM
COCCOc1ccc(C#N)cc1NC(=O)[C@H](OC)C(=O)[O-]	ZINC001594019635	957070820	/nfs/dbraw/zinc/07/08/20/957070820.db2.gz	AZWMMHOVWOAUFP-LBPRGKRZSA-N	-1	0	308.290	0.622	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n1	ZINC001416150712	957232637	/nfs/dbraw/zinc/23/26/37/957232637.db2.gz	NQPSANOAHZCPEX-UHFFFAOYSA-N	-1	0	320.334	0.311	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC(C)(C)C(=O)N2CCCC2)c(C#N)c1=O	ZINC001413899873	957496583	/nfs/dbraw/zinc/49/65/83/957496583.db2.gz	MCUQYXIUQQHUCH-UHFFFAOYSA-N	-1	0	319.365	0.006	20	30		DCEDRM
C=CC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)[O-]	ZINC000150008417	957825066	/nfs/dbraw/zinc/82/50/66/957825066.db2.gz	NGLBHDGEXVPTLP-QMMMGPOBSA-N	-1	0	316.335	0.289	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588388529	957995063	/nfs/dbraw/zinc/99/50/63/957995063.db2.gz	BXJOPCRVSCPLTI-IUODEOHRSA-N	-1	0	312.366	0.548	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)OC	ZINC001588389600	958010236	/nfs/dbraw/zinc/01/02/36/958010236.db2.gz	XNNCFPPOJSSCAX-LBPRGKRZSA-N	-1	0	305.286	0.445	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(F)c(Cl)c1	ZINC001588394463	958035157	/nfs/dbraw/zinc/03/51/57/958035157.db2.gz	DUCSQZGIDXTFIY-UHFFFAOYSA-N	-1	0	312.684	0.964	20	30		DCEDRM
N#CC[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(F)(F)F	ZINC001361528013	958054856	/nfs/dbraw/zinc/05/48/56/958054856.db2.gz	WRHVBBMLYNETES-SSDOTTSWSA-N	-1	0	314.227	0.032	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN1C(=O)CC(C)(C)C	ZINC001588399900	958077077	/nfs/dbraw/zinc/07/70/77/958077077.db2.gz	PYDTVLUYTSBAQF-GFCCVEGCSA-N	-1	0	308.378	0.960	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1nc(-c2ccco2)no1	ZINC001588402066	958087102	/nfs/dbraw/zinc/08/71/02/958087102.db2.gz	KMWZIENWFJSVSV-UHFFFAOYSA-N	-1	0	303.274	0.809	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1	ZINC001350313590	958103556	/nfs/dbraw/zinc/10/35/56/958103556.db2.gz	OHGWLMASDXUJNA-JTQLQIEISA-N	-1	0	319.317	0.522	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCNC(=O)c1ccc(C)cc1	ZINC001588408499	958111707	/nfs/dbraw/zinc/11/17/07/958111707.db2.gz	PRIRXBGTSLVHCG-UHFFFAOYSA-N	-1	0	317.345	0.454	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CCN(CC(F)(F)F)C1	ZINC001588408613	958114187	/nfs/dbraw/zinc/11/41/87/958114187.db2.gz	VIXPPTHUYCFQPH-SNVBAGLBSA-N	-1	0	321.299	0.600	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC(=O)Nc1cccc(CC)c1	ZINC001588409039	958122678	/nfs/dbraw/zinc/12/26/78/958122678.db2.gz	BCJHIFDXJIPLQN-UHFFFAOYSA-N	-1	0	317.345	0.917	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccnn1[C@@H]1CCCOC1	ZINC001588413293	958157838	/nfs/dbraw/zinc/15/78/38/958157838.db2.gz	XWJHJVBMRSUPNY-LLVKDONJSA-N	-1	0	306.322	0.786	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1N(C)C	ZINC001588416011	958161194	/nfs/dbraw/zinc/16/11/94/958161194.db2.gz	FHOLDWOTLPLVBN-UHFFFAOYSA-N	-1	0	305.290	0.821	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](NC(=O)N1CCCC1)[C@@H](C)CC	ZINC001588417392	958173201	/nfs/dbraw/zinc/17/32/01/958173201.db2.gz	LUIGUHOKUWKDPZ-JSGCOSHPSA-N	-1	0	323.393	0.753	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc[nH]c(=O)c1Br	ZINC001588418897	958188323	/nfs/dbraw/zinc/18/83/23/958188323.db2.gz	JFHUOASHFUTTHF-UHFFFAOYSA-N	-1	0	313.107	0.710	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NC(=O)Nc1cccc(C)c1C	ZINC001588420234	958202287	/nfs/dbraw/zinc/20/22/87/958202287.db2.gz	RHELWVWDWZTXPT-UHFFFAOYSA-N	-1	0	317.345	0.971	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ncnn2C)n1CC(C)C	ZINC001588426482	958229167	/nfs/dbraw/zinc/22/91/67/958229167.db2.gz	MQGZRBXUYZKPMW-UHFFFAOYSA-N	-1	0	317.353	0.254	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2c[nH]nc2OC)n1CC	ZINC001588426654	958230260	/nfs/dbraw/zinc/23/02/60/958230260.db2.gz	VKPSTALWQFWWMG-UHFFFAOYSA-N	-1	0	304.310	0.221	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(=O)NC(C)C)n1CC(=C)C	ZINC001588426894	958235526	/nfs/dbraw/zinc/23/55/26/958235526.db2.gz	FUHYDRCDBNIVDN-UHFFFAOYSA-N	-1	0	319.365	0.517	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(C)(C)O)n1C[C@@H]1CCOC1	ZINC001588426971	958236503	/nfs/dbraw/zinc/23/65/03/958236503.db2.gz	IPRAXZHXGSRMLX-NSHDSACASA-N	-1	0	322.365	0.066	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(C)(C)O)n1C[C@@H]1CCCO1	ZINC001588427265	958243395	/nfs/dbraw/zinc/24/33/95/958243395.db2.gz	RRKUTNSJGQKESH-NSHDSACASA-N	-1	0	322.365	0.209	20	30		DCEDRM
C#CCSCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001588433845	958300756	/nfs/dbraw/zinc/30/07/56/958300756.db2.gz	WBCVBRNNYDBAGI-NEPJUHHUSA-N	-1	0	321.402	0.803	20	30		DCEDRM
N#CC[C@@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)c1ccccc1	ZINC001361786728	958329167	/nfs/dbraw/zinc/32/91/67/958329167.db2.gz	ZEQBHQXOHXRZBY-OLZOCXBDSA-N	-1	0	312.333	0.797	20	30		DCEDRM
C=C(C)Cn1c(-c2ncn(C)n2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588443619	958355146	/nfs/dbraw/zinc/35/51/46/958355146.db2.gz	UKDFFVGKWIXHBB-JTQLQIEISA-N	-1	0	317.353	0.561	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001588451087	958405140	/nfs/dbraw/zinc/40/51/40/958405140.db2.gz	LUFJLDAWYUUZCJ-IINYFYTJSA-N	-1	0	301.339	0.738	20	30		DCEDRM
C=CCC[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)C(=O)OCC	ZINC001588456953	958441278	/nfs/dbraw/zinc/44/12/78/958441278.db2.gz	COVLJTPJFNISBO-VIFPVBQESA-N	-1	0	309.322	0.746	20	30		DCEDRM
CCCC[C@@H](COC)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361906890	958473010	/nfs/dbraw/zinc/47/30/10/958473010.db2.gz	SSWDMUNQTNDMDB-LBPRGKRZSA-N	-1	0	322.365	0.532	20	30		DCEDRM
C#CCOCCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC001573327387	958489909	/nfs/dbraw/zinc/48/99/09/958489909.db2.gz	NANGYEPQYNLVFC-CQSZACIVSA-N	-1	0	315.329	0.472	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)C(=O)OC	ZINC001588465284	958500100	/nfs/dbraw/zinc/50/01/00/958500100.db2.gz	XEYWSLSYZKEUOX-NEPJUHHUSA-N	-1	0	313.350	0.738	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588465530	958504499	/nfs/dbraw/zinc/50/44/99/958504499.db2.gz	RDEXTYZCPJTSRN-MRVPVSSYSA-N	-1	0	321.289	0.337	20	30		DCEDRM
Cc1ccsc1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361939191	958514236	/nfs/dbraw/zinc/51/42/36/958514236.db2.gz	YSUPUIBSRHJEAO-UHFFFAOYSA-N	-1	0	318.358	0.897	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588475025	958560684	/nfs/dbraw/zinc/56/06/84/958560684.db2.gz	TUMHKFSPBSDTKP-UTUOFQBUSA-N	-1	0	310.350	0.159	20	30		DCEDRM
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)[O-])c1	ZINC001588479732	958578995	/nfs/dbraw/zinc/57/89/95/958578995.db2.gz	BYQXMWNXLDANSN-SNVBAGLBSA-N	-1	0	309.343	0.687	20	30		DCEDRM
CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]2C1	ZINC001588492837	958657846	/nfs/dbraw/zinc/65/78/46/958657846.db2.gz	PZFTUMJUKZDQSG-ZWUHOBOKSA-N	-1	0	321.377	0.754	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN2C(=O)OCC[C@@H]2C1	ZINC001362154509	958836869	/nfs/dbraw/zinc/83/68/69/958836869.db2.gz	HBLRWEYBAFIORK-LLVKDONJSA-N	-1	0	316.317	0.634	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2(C(F)(F)F)CCC2)c(=O)[n-]c1=O	ZINC001362156708	958842810	/nfs/dbraw/zinc/84/28/10/958842810.db2.gz	WEZYXQGFOYOTDZ-UHFFFAOYSA-N	-1	0	316.239	0.422	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC(=O)N(CC(F)(F)F)C1	ZINC001588535507	958930472	/nfs/dbraw/zinc/93/04/72/958930472.db2.gz	OSVSWEOKXCFLKZ-SNVBAGLBSA-N	-1	0	307.228	0.182	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1	ZINC001588538980	958948015	/nfs/dbraw/zinc/94/80/15/958948015.db2.gz	SLMYDRJVOOYJKM-ISVAXAHUSA-N	-1	0	308.294	0.486	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-]	ZINC000159592075	959121383	/nfs/dbraw/zinc/12/13/83/959121383.db2.gz	KDVLSFLXZJYRKP-ZDUSSCGKSA-N	-1	0	308.359	0.356	20	30		DCEDRM
C[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCCOC1	ZINC001362312475	959122088	/nfs/dbraw/zinc/12/20/88/959122088.db2.gz	RFCVGRDNMKXARX-MNOVXSKESA-N	-1	0	320.349	0.142	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC001588565607	959141130	/nfs/dbraw/zinc/14/11/30/959141130.db2.gz	MHZFGUSVJWGSLI-VIFPVBQESA-N	-1	0	318.333	0.793	20	30		DCEDRM
CC1(C#N)CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1	ZINC001362367767	959226147	/nfs/dbraw/zinc/22/61/47/959226147.db2.gz	ZDIRCTOVLMKEAL-UHFFFAOYSA-N	-1	0	311.349	0.841	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O	ZINC001588583335	959277247	/nfs/dbraw/zinc/27/72/47/959277247.db2.gz	AFYLZKVIZIFHHM-CBAPKCEASA-N	-1	0	308.315	0.989	20	30		DCEDRM
C[C@@H]1CC(NC(=O)c2nc[n-]c(=O)c2Br)=NO1	ZINC001362431524	959327109	/nfs/dbraw/zinc/32/71/09/959327109.db2.gz	WXPJGNIBAOPNMJ-SCSAIBSYSA-N	-1	0	301.100	0.797	20	30		DCEDRM
CC(C)CO[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362464116	959405439	/nfs/dbraw/zinc/40/54/39/959405439.db2.gz	NKXZMSZKIIAUQU-GFCCVEGCSA-N	-1	0	320.349	0.094	20	30		DCEDRM
CC1(C)C[C@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001362497746	959470726	/nfs/dbraw/zinc/47/07/26/959470726.db2.gz	RYATZSXLLHMYBX-LLVKDONJSA-N	-1	0	320.349	0.284	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC[C@H]1[C@@H]1CCCO1	ZINC001362523260	959520382	/nfs/dbraw/zinc/52/03/82/959520382.db2.gz	BRDNNAOULFZRLR-STQMWFEESA-N	-1	0	317.345	0.987	20	30		DCEDRM
C[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1ccc[nH]1	ZINC001362601504	959680136	/nfs/dbraw/zinc/68/01/36/959680136.db2.gz	JNDAUQSEFPKNAT-SECBINFHSA-N	-1	0	301.306	0.416	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1CCCN(C(N)=O)C1	ZINC001362688483	959833256	/nfs/dbraw/zinc/83/32/56/959833256.db2.gz	OBTYZQPCHFLJJR-SNVBAGLBSA-N	-1	0	317.349	0.488	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)Cc1cncs1	ZINC001362743546	959920832	/nfs/dbraw/zinc/92/08/32/959920832.db2.gz	NLGRUYNETCWODB-SNVBAGLBSA-N	-1	0	318.358	0.757	20	30		DCEDRM
COC1CCC(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362839364	960068584	/nfs/dbraw/zinc/06/85/84/960068584.db2.gz	IKTALUUJNHQCOJ-UHFFFAOYSA-N	-1	0	320.349	0.284	20	30		DCEDRM
C=CCNC(=O)C[N-]S(=O)(=O)c1onc(C2CC2)c1Cl	ZINC001309348744	960195649	/nfs/dbraw/zinc/19/56/49/960195649.db2.gz	OUEDQAXBKUYGQH-UHFFFAOYSA-N	-1	0	319.770	0.786	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1	ZINC001362966258	960235943	/nfs/dbraw/zinc/23/59/43/960235943.db2.gz	LHNLGFBLRZHGBF-TXEJJXNPSA-N	-1	0	318.377	0.494	20	30		DCEDRM
Cc1ccc(O)c(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001363004319	960287200	/nfs/dbraw/zinc/28/72/00/960287200.db2.gz	RPIXWESZFIYHIX-UHFFFAOYSA-N	-1	0	314.301	0.265	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)c(=O)[n-]c1=O	ZINC001363004214	960287960	/nfs/dbraw/zinc/28/79/60/960287960.db2.gz	OHGSVIXHNJPIRC-NVRFYQKYSA-N	-1	0	314.345	0.229	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2C[C@H](O)C[C@]2(C)CO)cc1C#N	ZINC001363101197	960399601	/nfs/dbraw/zinc/39/96/01/960399601.db2.gz	MNKNYNDDYNBHON-YMTOWFKASA-N	-1	0	323.374	0.339	20	30		DCEDRM
COC(=O)CN(Cc1cc(=O)n2[n-]cc(C#N)c2n1)C(C)C	ZINC001363195606	960574955	/nfs/dbraw/zinc/57/49/55/960574955.db2.gz	IBZVQUQCBMXEMH-UHFFFAOYSA-N	-1	0	303.322	0.690	20	30		DCEDRM
COC[C@@](C)(NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000392819779	972527183	/nfs/dbraw/zinc/52/71/83/972527183.db2.gz	PGUIESRXVHHJMY-CYBMUJFWSA-N	-1	0	312.347	0.521	20	30		DCEDRM
C[C@@H](O)[C@H](NC(=O)c1cc2ccccc2n1CC#N)C(=O)[O-]	ZINC001571075476	960954907	/nfs/dbraw/zinc/95/49/07/960954907.db2.gz	ZSAYPQHIFPMQBL-RNCFNFMXSA-N	-1	0	301.302	0.729	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001571080577	961001226	/nfs/dbraw/zinc/00/12/26/961001226.db2.gz	SJQKKAILKPGIDC-ZJUUUORDSA-N	-1	0	303.322	0.159	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC=Cc2cccnc2)c(=O)[n-]c1=O	ZINC001363376370	961016900	/nfs/dbraw/zinc/01/69/00/961016900.db2.gz	KZXPFIOTEXNZIQ-DUXPYHPUSA-N	-1	0	311.301	0.045	20	30		DCEDRM
COc1ncc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1C#N	ZINC001571091904	961113043	/nfs/dbraw/zinc/11/30/43/961113043.db2.gz	LJJIGLKUDWYDNZ-CYBMUJFWSA-N	-1	0	306.278	0.015	20	30		DCEDRM
CCN(CCC#N)C(=O)CN[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC001571097060	961182656	/nfs/dbraw/zinc/18/26/56/961182656.db2.gz	VDNOTULNYXPLQU-CQSZACIVSA-N	-1	0	307.354	0.078	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)c2csc(C(=O)[O-])n2)CC1	ZINC001571098773	961206285	/nfs/dbraw/zinc/20/62/85/961206285.db2.gz	YVZKJLDSANNQGB-UHFFFAOYSA-N	-1	0	308.319	0.039	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC001363472904	961224297	/nfs/dbraw/zinc/22/42/97/961224297.db2.gz	HWFROEIIEKLDFU-JQWIXIFHSA-N	-1	0	314.345	0.708	20	30		DCEDRM
CC[C@@](C)(NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001363481650	961247817	/nfs/dbraw/zinc/24/78/17/961247817.db2.gz	XYQLRRFTAKOHKY-OAHLLOKOSA-N	-1	0	304.350	0.906	20	30		DCEDRM
CC(C)OC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001363483756	961251625	/nfs/dbraw/zinc/25/16/25/961251625.db2.gz	PNBVOCVSVSGZHI-UHFFFAOYSA-N	-1	0	320.349	0.284	20	30		DCEDRM
N#Cc1c(CN2CCS(=O)(=O)CCO2)cccc1C(=O)[O-]	ZINC001571106039	961270454	/nfs/dbraw/zinc/27/04/54/961270454.db2.gz	GKKJSUWQUROZCN-UHFFFAOYSA-N	-1	0	310.331	0.418	20	30		DCEDRM
N#CC1(CC(=O)N2CCOC[C@H]2c2nnn[n-]2)CCCCC1	ZINC001363509734	961309613	/nfs/dbraw/zinc/30/96/13/961309613.db2.gz	BEMAQZILGRUKRU-NSHDSACASA-N	-1	0	304.354	0.964	20	30		DCEDRM
N#CC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)C(F)(F)F	ZINC001363526579	961367206	/nfs/dbraw/zinc/36/72/06/961367206.db2.gz	GCHQMURBZOOKEL-QMMMGPOBSA-N	-1	0	311.227	0.836	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1	ZINC001588801973	961429655	/nfs/dbraw/zinc/42/96/55/961429655.db2.gz	NWCONIJQKNQVKE-ZDUSSCGKSA-N	-1	0	323.393	0.560	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@@](C)(CNc2ncc(C(=O)[O-])cn2)C1	ZINC001571133472	961591366	/nfs/dbraw/zinc/59/13/66/961591366.db2.gz	OSXQTNAFQISACE-BMIGLBTASA-N	-1	0	317.349	0.985	20	30		DCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)nc1	ZINC001574485178	961676008	/nfs/dbraw/zinc/67/60/08/961676008.db2.gz	COINDJHPAGZVMO-AAEUAGOBSA-N	-1	0	303.318	0.839	20	30		DCEDRM
CC(C)OC(=O)CC[C@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363731334	961777803	/nfs/dbraw/zinc/77/78/03/961777803.db2.gz	LRNWRCUMKNZYKK-VIFPVBQESA-N	-1	0	308.338	0.477	20	30		DCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC001363735154	961781484	/nfs/dbraw/zinc/78/14/84/961781484.db2.gz	OILSOKHVYGSKBB-AWEZNQCLSA-N	-1	0	324.337	0.583	20	30		DCEDRM
CC(C)CC(=O)N1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC001588843917	961848562	/nfs/dbraw/zinc/84/85/62/961848562.db2.gz	SSEXXOVMFFQZHI-HNNXBMFYSA-N	-1	0	309.366	0.708	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC001571155898	961865793	/nfs/dbraw/zinc/86/57/93/961865793.db2.gz	HMCOKSYSROBFBK-RISCZKNCSA-N	-1	0	322.365	0.296	20	30		DCEDRM
C#CCN(C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCCCC1	ZINC001349958480	962509121	/nfs/dbraw/zinc/50/91/21/962509121.db2.gz	MCFGNSKOLGUOQV-TXEJJXNPSA-N	-1	0	306.362	0.760	20	30		DCEDRM
C#CCC1(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001573303775	962681521	/nfs/dbraw/zinc/68/15/21/962681521.db2.gz	SLFHYUQHRZTIIK-VXGBXAGGSA-N	-1	0	306.362	0.475	20	30		DCEDRM
C#CCC1(NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCOCC1	ZINC001573304013	962684768	/nfs/dbraw/zinc/68/47/68/962684768.db2.gz	WUCDDPAMXCTHBQ-NEPJUHHUSA-N	-1	0	315.391	0.732	20	30		DCEDRM
C#CCNCc1nc2c(s1)CCN(C(=O)CNC(=O)[O-])C2	ZINC001573311397	962701168	/nfs/dbraw/zinc/70/11/68/962701168.db2.gz	OGSKIBQJTRCDLA-UHFFFAOYSA-N	-1	0	308.363	0.018	20	30		DCEDRM
C=C(Br)CN(CC)[C@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573313135	962727008	/nfs/dbraw/zinc/72/70/08/962727008.db2.gz	BWHXRMYIUXOCMT-SECBINFHSA-N	-1	0	322.203	0.989	20	30		DCEDRM
C=CCN(C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1CC1	ZINC001354240507	962728637	/nfs/dbraw/zinc/72/86/37/962728637.db2.gz	CFHIDMWFGQWCGM-QWHCGFSZSA-N	-1	0	306.362	0.733	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Nc2cccnc2)c(=O)[n-]c1=O	ZINC001364246595	962745562	/nfs/dbraw/zinc/74/55/62/962745562.db2.gz	PEGZEAXPSFSLSO-UHFFFAOYSA-N	-1	0	300.278	0.037	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)CNC(=O)[O-])[C@@H]1C	ZINC001573321089	962754507	/nfs/dbraw/zinc/75/45/07/962754507.db2.gz	INMNXGXHPBPVGN-GHMZBOCLSA-N	-1	0	311.382	0.962	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1csnc1OC)C(=O)[O-]	ZINC001573323752	962776002	/nfs/dbraw/zinc/77/60/02/962776002.db2.gz	HBXJWMFBCYIICT-SSDOTTSWSA-N	-1	0	306.365	0.849	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2cccc3c2OC(F)(F)O3)c1=O	ZINC001364274013	962791640	/nfs/dbraw/zinc/79/16/40/962791640.db2.gz	APSPNRFRDIAGEP-UHFFFAOYSA-N	-1	0	307.212	0.778	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573338739	962879343	/nfs/dbraw/zinc/87/93/43/962879343.db2.gz	HJHMXFUIVQMJAJ-VHSXEESVSA-N	-1	0	314.769	0.813	20	30		DCEDRM
C=C(Cl)CN1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573338750	962879456	/nfs/dbraw/zinc/87/94/56/962879456.db2.gz	HNHOZDIJWJZVBR-VHSXEESVSA-N	-1	0	302.758	0.013	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-]	ZINC000287120843	962891964	/nfs/dbraw/zinc/89/19/64/962891964.db2.gz	BIGADXOKFHVSSI-ZETCQYMHSA-N	-1	0	322.264	0.855	20	30		DCEDRM
C=C(Cl)CN1CCN(CCN(C)C(=O)CNC(=O)[O-])CC1	ZINC001573344384	962918359	/nfs/dbraw/zinc/91/83/59/962918359.db2.gz	VKTMHCYCWLORTF-UHFFFAOYSA-N	-1	0	318.805	0.083	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OCC	ZINC001573353465	963002134	/nfs/dbraw/zinc/00/21/34/963002134.db2.gz	WCROLDXTPXIVEU-AEJSXWLSSA-N	-1	0	305.352	0.277	20	30		DCEDRM
C=CCCN1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)C1	ZINC001573360015	963030482	/nfs/dbraw/zinc/03/04/82/963030482.db2.gz	CSEKTLYBEPTLMY-CABCVRRESA-N	-1	0	322.405	0.975	20	30		DCEDRM
C#CCCCC(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588435497	964024110	/nfs/dbraw/zinc/02/41/10/964024110.db2.gz	SIGPUSWRPWPXQR-ZIAGYGMSSA-N	-1	0	320.389	0.960	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001588435734	964026577	/nfs/dbraw/zinc/02/65/77/964026577.db2.gz	YBECDBNXUGBGMY-GFCCVEGCSA-N	-1	0	302.334	0.991	20	30		DCEDRM
C#CCCCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588439860	964032840	/nfs/dbraw/zinc/03/28/40/964032840.db2.gz	HRZKBVQNOQDWBY-XDQVBPFNSA-N	-1	0	320.389	0.912	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1C	ZINC001588440146	964035039	/nfs/dbraw/zinc/03/50/39/964035039.db2.gz	MPSXRNPFLXDZLG-DGCLKSJQSA-N	-1	0	316.361	0.919	20	30		DCEDRM
C#CCCCNC(=O)C(=O)NCc1cc(C(=O)[O-])c(C)n1C	ZINC001588446323	964071375	/nfs/dbraw/zinc/07/13/75/964071375.db2.gz	HMPUCTBHPCYJHE-UHFFFAOYSA-N	-1	0	305.334	0.178	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cc1	ZINC000316934439	964076835	/nfs/dbraw/zinc/07/68/35/964076835.db2.gz	LZLJUILDKFBUQE-GFCCVEGCSA-N	-1	0	324.358	0.617	20	30		DCEDRM
C#CCCCn1nnnc1N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC001588448120	964094524	/nfs/dbraw/zinc/09/45/24/964094524.db2.gz	XBQGILGCLURMPA-LLVKDONJSA-N	-1	0	317.271	0.930	20	30		DCEDRM
O=C([O-])C1(C(=O)N2CCC3(CC2)CC(=O)C=CO3)CCOCC1	ZINC001606555402	970339739	/nfs/dbraw/zinc/33/97/39/970339739.db2.gz	LRRGQQYPSMOIHM-UHFFFAOYSA-N	-1	0	323.345	0.732	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1	ZINC001609691213	970446938	/nfs/dbraw/zinc/44/69/38/970446938.db2.gz	BNQXKDYYQRYWDB-MFKMUULPSA-N	-1	0	316.379	0.417	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1ccc(O)cc1O	ZINC001609693133	970454671	/nfs/dbraw/zinc/45/46/71/970454671.db2.gz	XDHAJOMOHLPGAI-AWEZNQCLSA-N	-1	0	307.258	0.828	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC001609698335	970464094	/nfs/dbraw/zinc/46/40/94/970464094.db2.gz	XCKCMQCMMAVRIZ-ZJUUUORDSA-N	-1	0	303.322	0.106	20	30		DCEDRM
C=CCNC(=O)CNC(=O)NCc1ccccc1CC(=O)[O-]	ZINC000393827456	972648338	/nfs/dbraw/zinc/64/83/38/972648338.db2.gz	RTZJDRMNUZRFOC-UHFFFAOYSA-N	-1	0	305.334	0.415	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)NCCCCC(=O)[O-])CC1	ZINC001604270818	972823053	/nfs/dbraw/zinc/82/30/53/972823053.db2.gz	CPOMBWPVBLBVPN-UHFFFAOYSA-N	-1	0	311.338	0.730	20	30		DCEDRM
C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001603392424	973016509	/nfs/dbraw/zinc/01/65/09/973016509.db2.gz	RPJMIZBPNOOZQS-UWVGGRQHSA-N	-1	0	315.333	0.992	20	30		DCEDRM
COC(=O)c1cnc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])s1	ZINC001604403026	973143697	/nfs/dbraw/zinc/14/36/97/973143697.db2.gz	GJOAEMQNORGDLJ-LBPRGKRZSA-N	-1	0	311.319	0.550	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N([C@@H](C)C(=O)[O-])C2CC2)ccc1C#N	ZINC001605408722	973406608	/nfs/dbraw/zinc/40/66/08/973406608.db2.gz	BWFGNFCJBNMVLK-VIFPVBQESA-N	-1	0	316.317	0.664	20	30		DCEDRM
C=C(Br)CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC000401912864	973525922	/nfs/dbraw/zinc/52/59/22/973525922.db2.gz	UYDZPYRWQBEGST-SFYZADRCSA-N	-1	0	307.144	0.372	20	30		DCEDRM
COCCn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001604630154	973763144	/nfs/dbraw/zinc/76/31/44/973763144.db2.gz	YXKBDJMPLFGRDY-SDDRHHMPSA-N	-1	0	319.365	0.853	20	30		DCEDRM
CON=Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cc1	ZINC001604662235	973843545	/nfs/dbraw/zinc/84/35/45/973843545.db2.gz	ZASJPHMQBNNFFO-CYBMUJFWSA-N	-1	0	316.317	0.956	20	30		DCEDRM
N#Cc1ccc(N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)nn1	ZINC001605611064	973913660	/nfs/dbraw/zinc/91/36/60/973913660.db2.gz	AJBJIDUGKBTBNU-SNVBAGLBSA-N	-1	0	315.333	0.250	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@@H]2C(=O)OCC(=O)C(=O)[O-])cc1	ZINC001605611307	973917378	/nfs/dbraw/zinc/91/73/78/973917378.db2.gz	QYKSHVZURGVBNV-GFCCVEGCSA-N	-1	0	302.286	0.724	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)C2	ZINC001605612177	973923719	/nfs/dbraw/zinc/92/37/19/973923719.db2.gz	JJDPHLXGGZVBQX-CZUORRHYSA-N	-1	0	300.314	0.775	20	30		DCEDRM
COc1cc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c(F)cc1C#N	ZINC001604721496	973924582	/nfs/dbraw/zinc/92/45/82/973924582.db2.gz	CEAASYURXAETES-LURJTMIESA-N	-1	0	309.253	0.234	20	30		DCEDRM
CC(C)[C@H](NC(=O)COC(=O)c1cnccc1C#N)C(=O)[O-]	ZINC001591876256	976224738	/nfs/dbraw/zinc/22/47/38/976224738.db2.gz	INOXWWPVQAPUTQ-LBPRGKRZSA-N	-1	0	305.290	0.335	20	30		DCEDRM
C[C@H](CN(C1CC1)S(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001592593017	978523353	/nfs/dbraw/zinc/52/33/53/978523353.db2.gz	BSQTZVGEBZGWCG-SECBINFHSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1ccnc(C(=O)[O-])n1	ZINC001592692660	979143116	/nfs/dbraw/zinc/14/31/16/979143116.db2.gz	XIEXQFLPZVOHGW-QMMMGPOBSA-N	-1	0	314.305	0.027	20	30		DCEDRM
C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)C#CC(C)(C)C	ZINC001592728579	979238315	/nfs/dbraw/zinc/23/83/15/979238315.db2.gz	DJUFGJXSHPEGMD-LLVKDONJSA-N	-1	0	318.377	0.905	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(CCCNC(=O)[C@H](C)C#N)C(C)C)c1[O-]	ZINC001529950810	1014640172	/nfs/dbraw/zinc/64/01/72/1014640172.db2.gz	APHOKTHVXDQVQQ-SNVBAGLBSA-N	-1	0	321.381	0.940	20	30		DCEDRM
CCCC[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H](C)C#N	ZINC001595633232	981868144	/nfs/dbraw/zinc/86/81/44/981868144.db2.gz	FYTNMOHFZZJKPE-QWRGUYRKSA-N	-1	0	319.365	0.843	20	30		DCEDRM
Cc1nc(SCC(=O)NC[C@H](O)C(=O)[O-])c(C#N)c(C)c1C	ZINC001574751335	983273083	/nfs/dbraw/zinc/27/30/83/983273083.db2.gz	GJVBMPYOMGZOIF-NSHDSACASA-N	-1	0	323.374	0.532	20	30		DCEDRM
C#C[C@H](NC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1)C(C)(C)C	ZINC001588372014	983327174	/nfs/dbraw/zinc/32/71/74/983327174.db2.gz	BMQGUDLIYWEVKY-VWYCJHECSA-N	-1	0	310.350	0.550	20	30		DCEDRM
C#C[C@H](NC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)C(C)(C)C	ZINC001588372334	983329936	/nfs/dbraw/zinc/32/99/36/983329936.db2.gz	IHTCBDDLESZSBA-PWSUYJOCSA-N	-1	0	319.365	0.981	20	30		DCEDRM
C#CC1(O)CN(C(=O)Nc2ccc(C(=O)OC)c(C(=O)[O-])c2)C1	ZINC001588379754	983365242	/nfs/dbraw/zinc/36/52/42/983365242.db2.gz	QDGGBIFSDRAJDY-UHFFFAOYSA-N	-1	0	318.285	0.383	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1	ZINC001588381850	983367558	/nfs/dbraw/zinc/36/75/58/983367558.db2.gz	BSXAPUWFSDDOQT-VJTDZRGJSA-N	-1	0	318.373	0.474	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1c(C)csc1C(=O)[O-]	ZINC001588383885	983385026	/nfs/dbraw/zinc/38/50/26/983385026.db2.gz	NYXBHUVUZRGGPW-VIFPVBQESA-N	-1	0	315.372	0.777	20	30		DCEDRM
C#CC[C@@H](CCOC)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001588393585	983398606	/nfs/dbraw/zinc/39/86/06/983398606.db2.gz	IGXHUYSFJSVSDB-VIFPVBQESA-N	-1	0	300.336	0.420	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588394604	983403196	/nfs/dbraw/zinc/40/31/96/983403196.db2.gz	OCDHFEXFFCHEEX-ZDUSSCGKSA-N	-1	0	318.329	0.407	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588396440	983408464	/nfs/dbraw/zinc/40/84/64/983408464.db2.gz	YUVCXLZUICRACO-BTJONVMOSA-N	-1	0	324.377	0.736	20	30		DCEDRM
C#CC[C@@H](NC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C)C(=O)[O-]	ZINC001588399822	983416977	/nfs/dbraw/zinc/41/69/77/983416977.db2.gz	XPOXIYFNQBQTEX-NXEZZACHSA-N	-1	0	303.322	0.156	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1noc2ccc(OC)cc12)C(=O)[O-]	ZINC001588408074	983430153	/nfs/dbraw/zinc/43/01/53/983430153.db2.gz	WTJYWUBDAWWOBT-LLVKDONJSA-N	-1	0	302.286	0.972	20	30		DCEDRM
C#CC[C@H](NC(=O)c1nccnc1NC(=O)C(C)(C)C)C(=O)[O-]	ZINC001588421291	983440104	/nfs/dbraw/zinc/44/01/04/983440104.db2.gz	FZYXGHZYNNCZMN-VIFPVBQESA-N	-1	0	318.333	0.668	20	30		DCEDRM
C#CC[C@H]1NC(=O)N(c2ccc(OCCC(=O)[O-])cc2)C1=O	ZINC001588434835	983472928	/nfs/dbraw/zinc/47/29/28/983472928.db2.gz	VITDEFUCDUOFSN-GFCCVEGCSA-N	-1	0	302.286	0.988	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001588466055	983498301	/nfs/dbraw/zinc/49/83/01/983498301.db2.gz	SWWBBBCVJJEVIP-UHFFFAOYSA-N	-1	0	302.695	0.779	20	30		DCEDRM
C#CCO[C@H](C)C(=O)OCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588489785	983529029	/nfs/dbraw/zinc/52/90/29/983529029.db2.gz	CYQDZHXRDGRKMJ-SNVBAGLBSA-N	-1	0	305.286	0.905	20	30		DCEDRM
C#Cc1cccc(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1	ZINC001588518145	983568193	/nfs/dbraw/zinc/56/81/93/983568193.db2.gz	SFPIQGRGKIYSGS-KBPBESRZSA-N	-1	0	302.330	0.645	20	30		DCEDRM
CCN(CC#N)CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC001596200180	983584249	/nfs/dbraw/zinc/58/42/49/983584249.db2.gz	MRGMLPNTBZETKF-UHFFFAOYSA-N	-1	0	319.317	0.955	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588534124	983585380	/nfs/dbraw/zinc/58/53/80/983585380.db2.gz	FGOPLSXCDUQUOX-FDYHWXHSSA-N	-1	0	312.366	0.757	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC001588535746	983590765	/nfs/dbraw/zinc/59/07/65/983590765.db2.gz	RDZQVHZVSNNYAO-LOWDOPEQSA-N	-1	0	324.377	0.405	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588535966	983591721	/nfs/dbraw/zinc/59/17/21/983591721.db2.gz	MXWCYBWUHLSAQD-WDEREUQCSA-N	-1	0	305.396	0.998	20	30		DCEDRM
C=C(C)Cn1c(-c2c[nH]cn2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588578886	983659966	/nfs/dbraw/zinc/65/99/66/983659966.db2.gz	QJRQHUICOWCCTA-NSHDSACASA-N	-1	0	318.337	0.534	20	30		DCEDRM
C=C(C)Cn1c(N2CCO[C@H](CC(=O)[O-])C2)nnc1C(C)(C)O	ZINC001588598669	983685114	/nfs/dbraw/zinc/68/51/14/983685114.db2.gz	KNBLPYRJEGTTII-LLVKDONJSA-N	-1	0	324.381	0.762	20	30		DCEDRM
C=C(C)Cn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1C1(O)CCC1	ZINC001588599070	983687869	/nfs/dbraw/zinc/68/78/69/983687869.db2.gz	UFPXHIUQTWQOOZ-NSHDSACASA-N	-1	0	322.365	0.516	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CSC[C@@H]1C(=O)N1CCCC1	ZINC001588619102	983714965	/nfs/dbraw/zinc/71/49/65/983714965.db2.gz	KXNCVCMXRFUZLW-LLVKDONJSA-N	-1	0	312.391	0.931	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1	ZINC001588619236	983715513	/nfs/dbraw/zinc/71/55/13/983715513.db2.gz	OURCHZDVVRPUJG-LLVKDONJSA-N	-1	0	312.391	0.930	20	30		DCEDRM
CC(C)(C(=O)[O-])n1ccc(NC(=O)C2(C#N)CCOCC2)n1	ZINC001588619889	983717954	/nfs/dbraw/zinc/71/79/54/983717954.db2.gz	FVBABFOCTIOISZ-UHFFFAOYSA-N	-1	0	306.322	0.962	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCc2nc(COC)nn2C1	ZINC001588622632	983724560	/nfs/dbraw/zinc/72/45/60/983724560.db2.gz	AORWZGZBHYELNO-SNVBAGLBSA-N	-1	0	308.338	0.277	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](CCC(=O)OC)C(=O)OC	ZINC001588630728	983745959	/nfs/dbraw/zinc/74/59/59/983745959.db2.gz	ZMUDARWEZKODSS-SECBINFHSA-N	-1	0	301.295	0.018	20	30		DCEDRM
C=C[C@@H](C(=O)OC)n1cc(CN2CCCC[C@H]2C(=O)[O-])nn1	ZINC001588671666	983821053	/nfs/dbraw/zinc/82/10/53/983821053.db2.gz	FHRFGLOCDJEESY-RYUDHWBXSA-N	-1	0	308.338	0.617	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1	ZINC001588720320	983965729	/nfs/dbraw/zinc/96/57/29/983965729.db2.gz	QULDVWFIAHXCMJ-GFCCVEGCSA-N	-1	0	310.350	0.113	20	30		DCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588735634	984019515	/nfs/dbraw/zinc/01/95/15/984019515.db2.gz	HCXIWBWYGHPQHV-NEPJUHHUSA-N	-1	0	312.366	0.141	20	30		DCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588735635	984019678	/nfs/dbraw/zinc/01/96/78/984019678.db2.gz	HCXIWBWYGHPQHV-NWDGAFQWSA-N	-1	0	312.366	0.141	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC001588736993	984027838	/nfs/dbraw/zinc/02/78/38/984027838.db2.gz	ACQVTJFYBPFYNU-VIFPVBQESA-N	-1	0	317.338	0.987	20	30		DCEDRM
CCN1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001596416188	984035572	/nfs/dbraw/zinc/03/55/72/984035572.db2.gz	XUUMUOHTICGAII-NSHDSACASA-N	-1	0	323.374	0.629	20	30		DCEDRM
C=CCC(F)(F)C(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-]	ZINC001588743168	984036795	/nfs/dbraw/zinc/03/67/95/984036795.db2.gz	SFCXGVRPTJOKJT-UHFFFAOYSA-N	-1	0	305.237	0.629	20	30		DCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1	ZINC001588772388	984142400	/nfs/dbraw/zinc/14/24/00/984142400.db2.gz	DYDHBSGUFZRXHC-MKBNYLNASA-N	-1	0	308.378	0.980	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C(=O)OCC	ZINC001588778784	984163026	/nfs/dbraw/zinc/16/30/26/984163026.db2.gz	LXTXJIKNGKHRGJ-SNVBAGLBSA-N	-1	0	319.379	0.811	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1cccnc1OCCO)C(=O)[O-]	ZINC001588793045	984215568	/nfs/dbraw/zinc/21/55/68/984215568.db2.gz	KMXVMIRTWMXFMK-LBPRGKRZSA-N	-1	0	308.334	0.992	20	30		DCEDRM
C=CCCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC001588807284	984258782	/nfs/dbraw/zinc/25/87/82/984258782.db2.gz	HDDBJKKWNTYNKB-UHFFFAOYSA-N	-1	0	320.301	0.802	20	30		DCEDRM
C=CCCS(=O)(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001588813099	984268987	/nfs/dbraw/zinc/26/89/87/984268987.db2.gz	IIRTYPKPGXJDPF-ZJUUUORDSA-N	-1	0	305.352	0.231	20	30		DCEDRM
CCOC(=O)[C@@H](F)C1CN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001596534234	984357788	/nfs/dbraw/zinc/35/77/88/984357788.db2.gz	GYNQFVJKNFQOGU-LBPRGKRZSA-N	-1	0	307.281	0.989	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C(C)C)N1CCCC1=O)C(=O)[O-]	ZINC001588850760	984380163	/nfs/dbraw/zinc/38/01/63/984380163.db2.gz	CZTNMQXNNFENKM-AAEUAGOBSA-N	-1	0	312.366	0.405	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001588851061	984382340	/nfs/dbraw/zinc/38/23/40/984382340.db2.gz	RUVBYQUYKDETJH-JTQLQIEISA-N	-1	0	306.322	0.072	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)COCC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588853593	984384092	/nfs/dbraw/zinc/38/40/92/984384092.db2.gz	BSEVULYMGRFSSG-SNVBAGLBSA-N	-1	0	317.338	0.117	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCc1c(C)nc(C)[nH]c1=O)C(=O)[O-]	ZINC001588853581	984384385	/nfs/dbraw/zinc/38/43/85/984384385.db2.gz	BERXQGBKWRXNPD-LBPRGKRZSA-N	-1	0	323.349	0.504	20	30		DCEDRM
C=CCOC[C@H](NC(=O)/C=C/c1ccc(C(=O)OC)o1)C(=O)[O-]	ZINC001588854235	984389201	/nfs/dbraw/zinc/38/92/01/984389201.db2.gz	SGIPQWJJNURQED-ZRQQLDRUSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CC(C)(C)COC(C)=O)C(=O)[O-]	ZINC001588854479	984390847	/nfs/dbraw/zinc/39/08/47/984390847.db2.gz	ZWCWJMBNYNVWJD-LLVKDONJSA-N	-1	0	301.339	0.738	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cn1cnc2c1CCCC2)C(=O)[O-]	ZINC001588856912	984402438	/nfs/dbraw/zinc/40/24/38/984402438.db2.gz	RYRRUTQUZCVGAK-GFCCVEGCSA-N	-1	0	307.350	0.534	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)OC)C(=O)[O-]	ZINC001588857468	984403410	/nfs/dbraw/zinc/40/34/10/984403410.db2.gz	ZKQCTNSBMPJUSH-WOPDTQHZSA-N	-1	0	313.350	0.738	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cn(CCC(C)C)nn1)C(=O)[O-]	ZINC001588860287	984412251	/nfs/dbraw/zinc/41/22/51/984412251.db2.gz	PICJHGWVZINGDV-GFCCVEGCSA-N	-1	0	310.354	0.710	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)C(=O)OC	ZINC001588861051	984414122	/nfs/dbraw/zinc/41/41/22/984414122.db2.gz	ACBSIXNTEADMJS-LLVKDONJSA-N	-1	0	308.290	0.254	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc2nc[nH]c(=O)c21)C(=O)[O-]	ZINC001588862329	984418386	/nfs/dbraw/zinc/41/83/86/984418386.db2.gz	VWIBGBPRUDONFS-LLVKDONJSA-N	-1	0	317.301	0.721	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588866174	984422867	/nfs/dbraw/zinc/42/28/67/984422867.db2.gz	AOOLDOZRCMLNKL-NHYWBVRUSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C=CCOCCCNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1	ZINC001588866150	984422972	/nfs/dbraw/zinc/42/29/72/984422972.db2.gz	ABKLJWXKAJVOCX-UHFFFAOYSA-N	-1	0	308.338	0.809	20	30		DCEDRM
C=CCOc1cccnc1C(=O)OCCn1cc(C(=O)[O-])nn1	ZINC001588879257	984457185	/nfs/dbraw/zinc/45/71/85/984457185.db2.gz	XXWCAGVNKSHIRA-UHFFFAOYSA-N	-1	0	318.289	0.793	20	30		DCEDRM
C=CCn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588895595	984494429	/nfs/dbraw/zinc/49/44/29/984494429.db2.gz	JFXVFPWWRDCLBI-HNNXBMFYSA-N	-1	0	321.381	0.903	20	30		DCEDRM
C=CCn1cc(CNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)nn1	ZINC001588909629	984545281	/nfs/dbraw/zinc/54/52/81/984545281.db2.gz	ZMISMDCBRYJYCV-DNIRFERGSA-N	-1	0	319.365	0.763	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001588916553	984561784	/nfs/dbraw/zinc/56/17/84/984561784.db2.gz	RQKWUICELSYQPY-ONGXEEELSA-N	-1	0	321.333	0.667	20	30		DCEDRM
CC#CC(=O)N1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1	ZINC001588926317	984593101	/nfs/dbraw/zinc/59/31/01/984593101.db2.gz	RMIIFLPSSZTRKG-NSHDSACASA-N	-1	0	322.361	0.790	20	30		DCEDRM
C[C@H]1CN(C(=O)NCc2nc(C#N)cs2)C[C@@H](C(=O)[O-])O1	ZINC001599921728	985143913	/nfs/dbraw/zinc/14/39/13/985143913.db2.gz	LQQKUACIKBAUCZ-CBAPKCEASA-N	-1	0	310.335	0.398	20	30		DCEDRM
C[C@H]1CN(c2nnc(C3(C#N)CCCC3)n2C)C[C@@H](C(=O)[O-])O1	ZINC001599935303	985383633	/nfs/dbraw/zinc/38/36/33/985383633.db2.gz	OLRRACXLRNNRED-QWRGUYRKSA-N	-1	0	319.365	0.829	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])nc2)C[C@H](C)N1CC#N	ZINC001594493125	985608938	/nfs/dbraw/zinc/60/89/38/985608938.db2.gz	OAKQTMDNFDIMTM-PHIMTYICSA-N	-1	0	302.334	0.838	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)[C@H](C)C#N)Nc1ncc(C(=O)[O-])cn1	ZINC001589329182	986162666	/nfs/dbraw/zinc/16/26/66/986162666.db2.gz	LALUILVOENZBKZ-MWLCHTKSSA-N	-1	0	305.338	0.887	20	30		DCEDRM
C[C@H](C#N)C(=O)NC1CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001589330164	986171562	/nfs/dbraw/zinc/17/15/62/986171562.db2.gz	ZZWRTFRYQULVSW-SECBINFHSA-N	-1	0	303.322	0.419	20	30		DCEDRM
C[C@@H](C#N)CN(C1CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001589330858	986179148	/nfs/dbraw/zinc/17/91/48/986179148.db2.gz	SHHSQQRBHLBWHE-JTQLQIEISA-N	-1	0	315.395	0.652	20	30		DCEDRM
C[C@@H](C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001589334120	986197907	/nfs/dbraw/zinc/19/79/07/986197907.db2.gz	AMNUXTBKKZZBEQ-GWCFXTLKSA-N	-1	0	313.317	0.995	20	30		DCEDRM
C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001589346454	986287532	/nfs/dbraw/zinc/28/75/32/986287532.db2.gz	QRQVBWNJOLVWFK-WDCWCFNPSA-N	-1	0	303.322	0.422	20	30		DCEDRM
C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@](O)(CC#N)C1	ZINC001589350726	986310988	/nfs/dbraw/zinc/31/09/88/986310988.db2.gz	SLODPAYSYWVBGG-XHDPSFHLSA-N	-1	0	309.366	0.049	20	30		DCEDRM
C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)C#CC1CC1	ZINC001594657803	986921791	/nfs/dbraw/zinc/92/17/91/986921791.db2.gz	UYNIOQVJMNTLGZ-ONGXEEELSA-N	-1	0	310.375	0.281	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001589685376	987726342	/nfs/dbraw/zinc/72/63/42/987726342.db2.gz	ZAKSKMXPGNFBDU-KXNHARMFSA-N	-1	0	306.362	0.520	20	30		DCEDRM
CCn1ncn(N=Cc2ccccc2O[C@H](C)C(=O)[O-])c1=O	ZINC001597968451	990012917	/nfs/dbraw/zinc/01/29/17/990012917.db2.gz	VJZKSCHKTNUHRZ-SNVBAGLBSA-N	-1	0	304.306	0.799	20	30		DCEDRM
CC(C)(CNc1ccc(C(=O)[O-])nc1C#N)NS(C)(=O)=O	ZINC001590774286	990577226	/nfs/dbraw/zinc/57/72/26/990577226.db2.gz	OAYOIKYCXXEFNA-UHFFFAOYSA-N	-1	0	312.351	0.391	20	30		DCEDRM
CN(C)C(=O)c1cc(N2CCC(C#N)(C(=O)[O-])CC2)ccn1	ZINC001598151434	990632196	/nfs/dbraw/zinc/63/21/96/990632196.db2.gz	JYWNGRPFSSNACM-UHFFFAOYSA-N	-1	0	302.334	0.978	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001590927019	990930070	/nfs/dbraw/zinc/93/00/70/990930070.db2.gz	OXJUMNPYCAFCCQ-ZIAGYGMSSA-N	-1	0	320.389	0.721	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)c1ccc(C(=O)[O-])nn1	ZINC001598485611	992203246	/nfs/dbraw/zinc/20/32/46/992203246.db2.gz	RCBQIPSQCHRRRT-UHFFFAOYSA-N	-1	0	301.310	0.421	20	30		DCEDRM
CN(CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)C#CC(C)(C)C	ZINC001598485951	992206630	/nfs/dbraw/zinc/20/66/30/992206630.db2.gz	HWGJZDNPLIFQHE-RYUDHWBXSA-N	-1	0	308.378	0.673	20	30		DCEDRM
CS(=O)(=O)c1ccc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)o1	ZINC001599768882	992217386	/nfs/dbraw/zinc/21/73/86/992217386.db2.gz	GZOSFPFBKDGETO-UHFFFAOYSA-N	-1	0	322.298	0.463	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)C1(C#N)CC2(CC2)C1)C(=O)[O-]	ZINC001591453189	992558888	/nfs/dbraw/zinc/55/88/88/992558888.db2.gz	BWIKRLFNBZKJOG-NSHDSACASA-N	-1	0	321.377	0.802	20	30		DCEDRM
CN(Cc1cnn(C)c1)C(=O)CN1CCC(C#N)(C(=O)[O-])CC1	ZINC001598534705	992837508	/nfs/dbraw/zinc/83/75/08/992837508.db2.gz	VWVPIZVUXNYNIU-UHFFFAOYSA-N	-1	0	319.365	0.069	20	30		DCEDRM
COc1ccc(S(=O)(=O)N2CC(C)(C#N)C2)c(C(=O)[O-])c1	ZINC001599608014	993913124	/nfs/dbraw/zinc/91/31/24/993913124.db2.gz	JUMORTMJNKPIMW-UHFFFAOYSA-N	-1	0	310.331	0.928	20	30		DCEDRM
CNC(=O)[C@H](C#N)C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001598629763	994155250	/nfs/dbraw/zinc/15/52/50/994155250.db2.gz	CXRHYOZERDIHPS-MRVPVSSYSA-N	-1	0	305.290	0.221	20	30		DCEDRM
C[C@@H](N[C@@H](Cc1cncs1)C(=O)[O-])C(=O)N(C)CCC#N	ZINC001593211334	994265466	/nfs/dbraw/zinc/26/54/66/994265466.db2.gz	WRVSYNGESVXXFR-KOLCDFICSA-N	-1	0	310.379	0.489	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])N1CCC2(CC1)CC(=O)C=CO2	ZINC001598697713	995168859	/nfs/dbraw/zinc/16/88/59/995168859.db2.gz	HTTWLZYDIIUVRM-GFCCVEGCSA-N	-1	0	311.334	0.731	20	30		DCEDRM
COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[C@](O)(C(=O)[O-])C1	ZINC001598711120	995350154	/nfs/dbraw/zinc/35/01/54/995350154.db2.gz	IGBZGXXDMVPJAH-SWLSCSKDSA-N	-1	0	304.302	0.294	20	30		DCEDRM
COC(=O)[C@@]1(O)CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001598723722	995505539	/nfs/dbraw/zinc/50/55/39/995505539.db2.gz	BCXJLDIVLBYFEV-SWLSCSKDSA-N	-1	0	304.302	0.294	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)COCC(=O)[O-]	ZINC001593533220	995579349	/nfs/dbraw/zinc/57/93/49/995579349.db2.gz	AUHIFVKKUDUJAL-TVQRCGJNSA-N	-1	0	300.311	0.074	20	30		DCEDRM
C[C@@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)NC1(C#N)CCC1	ZINC001593547955	995625472	/nfs/dbraw/zinc/62/54/72/995625472.db2.gz	RJHOAIHWNYJAHF-KXUCPTDWSA-N	-1	0	310.306	0.113	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C#N)o1	ZINC001598773083	995902278	/nfs/dbraw/zinc/90/22/78/995902278.db2.gz	XWJWBTGROWSRDD-WCBMZHEXSA-N	-1	0	306.274	0.630	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(C#N)n2)C1	ZINC001598782046	995995906	/nfs/dbraw/zinc/99/59/06/995995906.db2.gz	XXFCURCUFJUXII-CABZTGNLSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)Cc2cccc(C#N)c2)C[C@@H]1C(=O)[O-]	ZINC001598805431	996181198	/nfs/dbraw/zinc/18/11/98/996181198.db2.gz	CDSGMCIPTPJCBU-STQMWFEESA-N	-1	0	316.313	0.433	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)C[C@@H]1C(=O)[O-]	ZINC001598817000	996281293	/nfs/dbraw/zinc/28/12/93/996281293.db2.gz	LVRTYBDYHJPWAE-QWRGUYRKSA-N	-1	0	318.285	0.210	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2ccsc2C#N)C[C@H]1C(=O)[O-]	ZINC001598821679	996335409	/nfs/dbraw/zinc/33/54/09/996335409.db2.gz	LMAAXBBKAJSNJU-BDAKNGLRSA-N	-1	0	308.315	0.566	20	30		DCEDRM
C[C@@]1(CCC(=O)[O-])NC(=O)N(CN2CCC[C@@](C)(C#N)C2)C1=O	ZINC001593742849	996363399	/nfs/dbraw/zinc/36/33/99/996363399.db2.gz	HDUOYJDMTYDEFU-GJZGRUSLSA-N	-1	0	322.365	0.745	20	30		DCEDRM
COC(=O)C[C@@H](OC(=O)Cc1ccccc1CC#N)C(=O)[O-]	ZINC001598869102	996728071	/nfs/dbraw/zinc/72/80/71/996728071.db2.gz	AZDDGCSLZMNRLX-GFCCVEGCSA-N	-1	0	305.286	0.855	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(c2nnc([C@@H](C)CCC#N)n2C)C1	ZINC001599078566	996937684	/nfs/dbraw/zinc/93/76/84/996937684.db2.gz	SOVUCXFXKSKFBD-IINYFYTJSA-N	-1	0	307.354	0.902	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(CC#N)CC2)C1	ZINC001599078680	996941756	/nfs/dbraw/zinc/94/17/56/996941756.db2.gz	IQBNVNUQNYTEIR-LBPRGKRZSA-N	-1	0	302.352	0.186	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCC1CS(=O)(=O)C1	ZINC001466921905	1016126805	/nfs/dbraw/zinc/12/68/05/1016126805.db2.gz	QLHJGXNKQXHLKH-UHFFFAOYSA-N	-1	0	309.347	0.132	20	30		DCEDRM
COCC[C@H](NS(=O)(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001599216955	997599013	/nfs/dbraw/zinc/59/90/13/997599013.db2.gz	XFTSOHHJOABSBC-NSHDSACASA-N	-1	0	312.347	0.521	20	30		DCEDRM
COc1cc(F)ccc1S(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001599426725	997687984	/nfs/dbraw/zinc/68/79/84/997687984.db2.gz	BHCPRWMOVCVLBI-UHFFFAOYSA-N	-1	0	316.310	0.823	20	30		DCEDRM
CO[C@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@@H](C(=O)[O-])C1	ZINC001599122049	997755492	/nfs/dbraw/zinc/75/54/92/997755492.db2.gz	ZDJMBMBOVWUMQE-NWDGAFQWSA-N	-1	0	304.302	0.968	20	30		DCEDRM
COCCN(CCC#N)C(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001599235856	997944502	/nfs/dbraw/zinc/94/45/02/997944502.db2.gz	VCRXYHPVUWLZBV-UHFFFAOYSA-N	-1	0	308.338	0.750	20	30		DCEDRM
COCC#CC(=O)Nc1ccc(C(=O)[O-])cc1OCCOC	ZINC001599138726	998090235	/nfs/dbraw/zinc/09/02/35/998090235.db2.gz	ONFSXSIXXPOKHI-UHFFFAOYSA-N	-1	0	307.302	0.998	20	30		DCEDRM
COCCn1c(N2C[C@@H](C)[C@H](C(=O)[O-])C2)nnc1C(C)(C)C#N	ZINC001599267329	998491122	/nfs/dbraw/zinc/49/11/22/998491122.db2.gz	CELQPSYAMHBYKJ-GHMZBOCLSA-N	-1	0	321.381	0.883	20	30		DCEDRM
COC(=O)c1ccc(N2C[C@H](O)C[C@H](C(=O)[O-])C2)c(C#N)n1	ZINC001598982522	998670584	/nfs/dbraw/zinc/67/05/84/998670584.db2.gz	MHGVGCSOGSGNLQ-DTWKUNHWSA-N	-1	0	305.290	0.012	20	30		DCEDRM
CCNC(=O)[C@@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)C(C)C	ZINC001468379850	1016249939	/nfs/dbraw/zinc/24/99/39/1016249939.db2.gz	WHYHSCAXMKJWQK-NSHDSACASA-N	-1	0	304.350	0.858	20	30		DCEDRM
C[C@@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)CN1C(=O)C#CC1CC1	ZINC001594265441	999027282	/nfs/dbraw/zinc/02/72/82/999027282.db2.gz	GNRWPTWZRUDPTJ-MFKMUULPSA-N	-1	0	314.345	0.990	20	30		DCEDRM
C[C@@H](NC(=O)[C@H](C)NC(=O)C1(C#N)CCSCC1)C(=O)[O-]	ZINC001573553096	1163493882	/nfs/dbraw/zinc/49/38/82/1163493882.db2.gz	KKNJTCIDIZHZLL-DTWKUNHWSA-N	-1	0	313.379	0.117	20	30		DCEDRM
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001469107780	1016309772	/nfs/dbraw/zinc/30/97/72/1016309772.db2.gz	OOUPLRWOZQYZOE-GFCCVEGCSA-N	-1	0	313.317	0.755	20	30		DCEDRM
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001469107782	1016309902	/nfs/dbraw/zinc/30/99/02/1016309902.db2.gz	OOUPLRWOZQYZOE-LBPRGKRZSA-N	-1	0	313.317	0.755	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CCCC(F)(F)F)c(=O)[n-]c1=O	ZINC001418536662	1000324241	/nfs/dbraw/zinc/32/42/41/1000324241.db2.gz	QFMWLFOJKRAMPW-UHFFFAOYSA-N	-1	0	318.255	0.669	20	30		DCEDRM
CO[C@@H]1CCC[C@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001418536232	1000324891	/nfs/dbraw/zinc/32/48/91/1000324891.db2.gz	KMFKXBCVHJDCCY-CMPLNLGQSA-N	-1	0	320.349	0.142	20	30		DCEDRM
Cc1onc(CC(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)c1C#N	ZINC001470630176	1016468709	/nfs/dbraw/zinc/46/87/09/1016468709.db2.gz	UVKXLZSWFOPCDU-CQSZACIVSA-N	-1	0	323.316	0.816	20	30		DCEDRM
Cc1cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc(C)c1C#N	ZINC001470933514	1016500088	/nfs/dbraw/zinc/50/00/88/1016500088.db2.gz	GAYWAOIVFHWBSR-CYBMUJFWSA-N	-1	0	312.333	0.902	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnn(C(C)C)n1	ZINC001424709129	1001938419	/nfs/dbraw/zinc/93/84/19/1001938419.db2.gz	VYIFLRPEBWRTNJ-UHFFFAOYSA-N	-1	0	322.350	0.935	20	30		DCEDRM
C=CCn1cc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)nn1	ZINC001471854705	1016674553	/nfs/dbraw/zinc/67/45/53/1016674553.db2.gz	XVTABVNYARHRMI-JTQLQIEISA-N	-1	0	302.342	0.072	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@H]2C[C@H]2C2CCCC2)c(=O)[n-]c1=O	ZINC001420697500	1002815148	/nfs/dbraw/zinc/81/51/48/1002815148.db2.gz	WRVVACCASIMAFM-YPMHNXCESA-N	-1	0	316.361	0.763	20	30		DCEDRM
Cc1noc(C)c1C[C@@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421085171	1003302287	/nfs/dbraw/zinc/30/22/87/1003302287.db2.gz	VWZPQZPCYANPCS-SSDOTTSWSA-N	-1	0	303.322	0.593	20	30		DCEDRM
COc1ccc(F)cc1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421122537	1003345402	/nfs/dbraw/zinc/34/54/02/1003345402.db2.gz	QCDBWDIESLCRAR-UHFFFAOYSA-N	-1	0	304.281	0.705	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3ccncc3F)C2)c(=O)[n-]c1=O	ZINC001472371721	1016789295	/nfs/dbraw/zinc/78/92/95/1016789295.db2.gz	XASIUGDOQVIGMK-UHFFFAOYSA-N	-1	0	315.264	0.052	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001427437056	1004385334	/nfs/dbraw/zinc/38/53/34/1004385334.db2.gz	CDPVNWBLMREGEU-WPRPVWTQSA-N	-1	0	305.338	0.256	20	30		DCEDRM
C[C@@H](CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001414545540	1005357485	/nfs/dbraw/zinc/35/74/85/1005357485.db2.gz	QUDPYAAJUJBOOE-VIFPVBQESA-N	-1	0	305.338	0.166	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1C	ZINC001417871889	1005910546	/nfs/dbraw/zinc/91/05/46/1005910546.db2.gz	QSSWLCIVAGEDKM-ZYHUDNBSSA-N	-1	0	320.349	0.094	20	30		DCEDRM
Cc1n[nH]c(C)c1[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417893166	1005917293	/nfs/dbraw/zinc/91/72/93/1005917293.db2.gz	WHFAIUGYYJUGIU-ZETCQYMHSA-N	-1	0	316.321	0.038	20	30		DCEDRM
CC(C)C[C@@H]1C[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417924876	1005927073	/nfs/dbraw/zinc/92/70/73/1005927073.db2.gz	ZIIHZAKFTYTPHX-ZYHUDNBSSA-N	-1	0	304.350	0.761	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C=C2CCCCC2)c(=O)[n-]c1=O	ZINC001453842282	1008755039	/nfs/dbraw/zinc/75/50/39/1008755039.db2.gz	LIMSQCZFUGRUOS-UHFFFAOYSA-N	-1	0	302.334	0.827	20	30		DCEDRM
CCN(C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)[C@@H](C)C#N	ZINC001454027818	1008861965	/nfs/dbraw/zinc/86/19/65/1008861965.db2.gz	GQXMMKKDPQNLRL-VIFPVBQESA-N	-1	0	301.306	0.640	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccc(C#N)cc1	ZINC001433606357	1008992159	/nfs/dbraw/zinc/99/21/59/1008992159.db2.gz	CBMCSRZZUTUPRN-SNVBAGLBSA-N	-1	0	323.312	0.570	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@H]2Cc3ccccc32)c(=O)[n-]c1=O	ZINC001433612582	1009001497	/nfs/dbraw/zinc/00/14/97/1009001497.db2.gz	IIJXRNNBJGBWRT-GFCCVEGCSA-N	-1	0	324.340	0.667	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN[C@H](c2cn[nH]c2)C1	ZINC001454518216	1009168868	/nfs/dbraw/zinc/16/88/68/1009168868.db2.gz	DMFVSXHUOKCPRF-LBPRGKRZSA-N	-1	0	312.333	0.477	20	30		DCEDRM
CC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCCOC1	ZINC001434318625	1009755489	/nfs/dbraw/zinc/75/54/89/1009755489.db2.gz	AVRICEBFSCTQPM-JQWIXIFHSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C[C@@H](c1cccc(O)c1)N(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001434442298	1009959245	/nfs/dbraw/zinc/95/92/45/1009959245.db2.gz	QLYOMQHMWAYKHY-VIFPVBQESA-N	-1	0	300.318	0.848	20	30		DCEDRM
C[C@@H](c1ccccc1)[C@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001434446256	1009964561	/nfs/dbraw/zinc/96/45/61/1009964561.db2.gz	HSOCQWLGEHBTFD-GXFFZTMASA-N	-1	0	314.345	0.522	20	30		DCEDRM
CCOC(=O)[C@H](COC)[N-]S(=O)(=O)CC(C)(C)CC#N	ZINC001434616949	1010138108	/nfs/dbraw/zinc/13/81/08/1010138108.db2.gz	UEPPBVKPFRWQHT-JTQLQIEISA-N	-1	0	306.384	0.424	20	30		DCEDRM
C#CC[C@@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC)C1	ZINC001520932095	1017318997	/nfs/dbraw/zinc/31/89/97/1017318997.db2.gz	JNARZNJFOPYXPO-LLVKDONJSA-N	-1	0	300.366	0.762	20	30		DCEDRM
CO[C@H]1CCC[C@H]1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001457196199	1011607293	/nfs/dbraw/zinc/60/72/93/1011607293.db2.gz	DARVXUNLQVAMLK-NEPJUHHUSA-N	-1	0	318.333	0.019	20	30		DCEDRM
N#Cc1cn(C2CN(c3ccccc3[N+](=O)[O-])C2)c(=O)[n-]c1=O	ZINC001458491262	1012193455	/nfs/dbraw/zinc/19/34/55/1012193455.db2.gz	YJRGOTIUIAVLCH-UHFFFAOYSA-N	-1	0	313.273	0.790	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@](C)(CNC(=O)[C@H](C)C#N)C2CC2)c1[O-]	ZINC001432857313	1012962066	/nfs/dbraw/zinc/96/20/66/1012962066.db2.gz	CZTDHLJDDWTRLE-GLEZIHRCSA-N	-1	0	319.365	0.598	20	30		DCEDRM
CO[C@@H]1COCC[C@@H]1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC001517369465	1017167429	/nfs/dbraw/zinc/16/74/29/1017167429.db2.gz	KYXWRBUWUKQOOO-NQBHXWOUSA-N	-1	0	305.334	0.753	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001506737771	1017494627	/nfs/dbraw/zinc/49/46/27/1017494627.db2.gz	RZRCBRNDIUGESJ-BMIGLBTASA-N	-1	0	323.397	0.164	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCC[C@@H](C)NC(=O)C#CC2CC2)c1[O-]	ZINC001510008238	1017504952	/nfs/dbraw/zinc/50/49/52/1017504952.db2.gz	JTDYJOAMOFYKAI-SNVBAGLBSA-N	-1	0	318.377	0.852	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001506793088	1017555887	/nfs/dbraw/zinc/55/58/87/1017555887.db2.gz	NLZJMPHAKIVRMA-CNDDSTCGSA-N	-1	0	319.409	0.907	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](CCNC(=O)[C@@H](C)C#N)C(C)C)c1[O-]	ZINC001510277964	1017573561	/nfs/dbraw/zinc/57/35/61/1017573561.db2.gz	WRBHKJDMTNGVIZ-GXSJLCMTSA-N	-1	0	321.381	0.844	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H]2CNC(=O)[C@@H](C)C#N)c1[O-]	ZINC001497161851	1017927037	/nfs/dbraw/zinc/92/70/37/1017927037.db2.gz	YCNVJMUHRWOJBZ-WPRPVWTQSA-N	-1	0	305.338	0.304	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001479959308	1018052463	/nfs/dbraw/zinc/05/24/63/1018052463.db2.gz	LTVHWBOFWFWYJB-IAQYHMDHSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001479959310	1018054630	/nfs/dbraw/zinc/05/46/30/1018054630.db2.gz	LTVHWBOFWFWYJB-XHDPSFHLSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C[C@@]1(CNCC#N)CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001500394843	1018437730	/nfs/dbraw/zinc/43/77/30/1018437730.db2.gz	ZEIDHLVRSGZRMI-HNNXBMFYSA-N	-1	0	315.333	0.894	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC#Cc2ccccc2)C1	ZINC000420524168	240041506	/nfs/dbraw/zinc/04/15/06/240041506.db2.gz	BZQWCQFNUBGOQT-KRWDZBQOSA-N	-1	0	314.341	0.478	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1c(C)nn(CC)c1C)C(=O)[O-]	ZINC000275075617	212107137	/nfs/dbraw/zinc/10/71/37/212107137.db2.gz	XPIZLSQRSAMHBB-LLVKDONJSA-N	-1	0	313.379	0.665	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)NCCSCC(=O)[O-]	ZINC000275001536	212067215	/nfs/dbraw/zinc/06/72/15/212067215.db2.gz	LYNMWHLMOQNSMP-UHFFFAOYSA-N	-1	0	300.361	0.654	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000263556870	285052494	/nfs/dbraw/zinc/05/24/94/285052494.db2.gz	OWAZAFSWMHWDEE-MNOVXSKESA-N	-1	0	305.400	0.802	20	30		DCEDRM
Cc1cc(C)n2nc(CC(=O)Nc3nc(C#N)c(C#N)[n-]3)nc2n1	ZINC000339074829	253028598	/nfs/dbraw/zinc/02/85/98/253028598.db2.gz	AHTZEHFNRJNBMP-UHFFFAOYSA-N	-1	0	321.304	0.389	20	30		DCEDRM
CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000288720832	220370763	/nfs/dbraw/zinc/37/07/63/220370763.db2.gz	ZUPIFDBFDZNBJY-UHFFFAOYSA-N	-1	0	324.318	0.862	20	30		DCEDRM
COC[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(=O)OC	ZINC000350617235	254318926	/nfs/dbraw/zinc/31/89/26/254318926.db2.gz	BJSNOPMQHSWXSK-LBPRGKRZSA-N	-1	0	312.347	0.166	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000263569516	533143436	/nfs/dbraw/zinc/14/34/36/533143436.db2.gz	ZKXCHVWTHXVKIQ-JTQLQIEISA-N	-1	0	311.363	0.811	20	30		DCEDRM
CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)nc1	ZINC000284721307	131106790	/nfs/dbraw/zinc/10/67/90/131106790.db2.gz	YGTPVEONESKQHJ-LLVKDONJSA-N	-1	0	309.347	0.970	20	30		DCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1	ZINC000048561980	395817382	/nfs/dbraw/zinc/81/73/82/395817382.db2.gz	YPPALSUCEYNLQY-UHFFFAOYSA-N	-1	0	314.319	0.890	20	30		DCEDRM
Cc1cc(C(=O)N[C@H](C#N)C(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000073495075	396146596	/nfs/dbraw/zinc/14/65/96/396146596.db2.gz	CUGNHOZRJRPGOP-SECBINFHSA-N	-1	0	301.306	0.610	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)cc1	ZINC000262735485	396177357	/nfs/dbraw/zinc/17/73/57/396177357.db2.gz	ILWJCJYAKCWZFA-DOMZBBRYSA-N	-1	0	318.329	0.933	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)[N-]OCCSC	ZINC000280474522	396203035	/nfs/dbraw/zinc/20/30/35/396203035.db2.gz	PGARYTNPKNJCDC-UHFFFAOYSA-N	-1	0	309.347	0.916	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(O)CCOC2)c(F)c1	ZINC000178984943	396217787	/nfs/dbraw/zinc/21/77/87/396217787.db2.gz	MXHKHXDVORRZRT-LBPRGKRZSA-N	-1	0	318.301	0.266	20	30		DCEDRM
C=CCCSCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000594721032	396501344	/nfs/dbraw/zinc/50/13/44/396501344.db2.gz	TXHSECYEVDTQSO-JTQLQIEISA-N	-1	0	308.425	0.679	20	30		DCEDRM
CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000290744896	396471621	/nfs/dbraw/zinc/47/16/21/396471621.db2.gz	XOYJJFHHKMROLO-NEPJUHHUSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CC(C)[C@H](CNC(=O)C(=O)N1CCC(CC#N)CC1)C(=O)[O-]	ZINC000594546867	396486161	/nfs/dbraw/zinc/48/61/61/396486161.db2.gz	XUNLSAFYZFREKI-LBPRGKRZSA-N	-1	0	309.366	0.612	20	30		DCEDRM
C[C@@H](C[C@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1)C(=O)[O-]	ZINC000594574304	396487826	/nfs/dbraw/zinc/48/78/26/396487826.db2.gz	XGPWSXABGXWNES-NWDGAFQWSA-N	-1	0	317.411	0.899	20	30		DCEDRM
CCO[C@@H]1C[C@](NS(=O)(=O)CCCC#N)(C(=O)[O-])C1(C)C	ZINC000581169630	396530899	/nfs/dbraw/zinc/53/08/99/396530899.db2.gz	NCNBDWZNZYYTIO-MFKMUULPSA-N	-1	0	318.395	0.868	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000581407716	396551663	/nfs/dbraw/zinc/55/16/63/396551663.db2.gz	SNWAYYNDRBOZEC-GARJFASQSA-N	-1	0	301.368	0.262	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])n1	ZINC000596003613	396707321	/nfs/dbraw/zinc/70/73/21/396707321.db2.gz	TUTZEWWJVMDQNH-AWEZNQCLSA-N	-1	0	311.301	0.360	20	30		DCEDRM
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC(C#N)C2)c1	ZINC000590487530	396787631	/nfs/dbraw/zinc/78/76/31/396787631.db2.gz	CUPCPZDUMTVQRI-UHFFFAOYSA-N	-1	0	309.347	0.238	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(N)=O)n[nH]1	ZINC000611164879	396827282	/nfs/dbraw/zinc/82/72/82/396827282.db2.gz	GYFMXQWIMXAOLD-UHFFFAOYSA-N	-1	0	305.319	0.490	20	30		DCEDRM
CC(C)C[C@H](C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597077128	396888458	/nfs/dbraw/zinc/88/84/58/396888458.db2.gz	ZEJANOGRAPLBJI-SECBINFHSA-N	-1	0	311.363	0.708	20	30		DCEDRM
CO[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)[C@](C)(C(=O)[O-])C1	ZINC000600655847	396907214	/nfs/dbraw/zinc/90/72/14/396907214.db2.gz	ANBZPDDIIBZSKX-SCVCMEIPSA-N	-1	0	319.383	0.029	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000591563610	396928562	/nfs/dbraw/zinc/92/85/62/396928562.db2.gz	UIYVDJBGGTVYIP-CQSZACIVSA-N	-1	0	323.255	0.927	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1	ZINC000591569766	396930114	/nfs/dbraw/zinc/93/01/14/396930114.db2.gz	FGZZSWJZOAYLOK-GPCCPHFNSA-N	-1	0	311.313	0.020	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C#N)CC[C@@H]1C(=O)[O-]	ZINC000600798032	396943535	/nfs/dbraw/zinc/94/35/35/396943535.db2.gz	PGLNWPQREWHICK-MNOVXSKESA-N	-1	0	309.366	0.564	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@@H](CO)C2)c(F)c1	ZINC000601485003	397146680	/nfs/dbraw/zinc/14/66/80/397146680.db2.gz	UZSMUBLRHYCKHY-DTORHVGOSA-N	-1	0	302.302	0.886	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c(F)c1	ZINC000619708824	397178931	/nfs/dbraw/zinc/17/89/31/397178931.db2.gz	YZMMILZUAQTMRV-GFCCVEGCSA-N	-1	0	314.294	0.219	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)ccc1C#N	ZINC000592424434	397172325	/nfs/dbraw/zinc/17/23/25/397172325.db2.gz	MSZFHDARLWGXDJ-GXSJLCMTSA-N	-1	0	316.317	0.570	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)o1	ZINC000592447538	397180464	/nfs/dbraw/zinc/18/04/64/397180464.db2.gz	SNUIKBIRZIOAIP-HTQZYQBOSA-N	-1	0	320.273	0.738	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F	ZINC000384728554	397281754	/nfs/dbraw/zinc/28/17/54/397281754.db2.gz	OODNVIHYFXVTCX-UHFFFAOYSA-N	-1	0	314.269	0.810	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1C#N	ZINC000386708950	397289587	/nfs/dbraw/zinc/28/95/87/397289587.db2.gz	PGDKYDXJUGEMBH-SKDRFNHKSA-N	-1	0	309.347	0.745	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCc3ccccc3CC2)c(=O)[n-]c1=O	ZINC000602106801	397302295	/nfs/dbraw/zinc/30/22/95/397302295.db2.gz	YMTKCHGWZLVOPS-UHFFFAOYSA-N	-1	0	324.340	0.448	20	30		DCEDRM
CC1(C)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC000602112537	397305691	/nfs/dbraw/zinc/30/56/91/397305691.db2.gz	IWTSUIQWVPCCTN-UHFFFAOYSA-N	-1	0	322.390	0.565	20	30		DCEDRM
C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@@H](C)C1	ZINC000602130838	397312827	/nfs/dbraw/zinc/31/28/27/397312827.db2.gz	XZQZQCGPLOVMJE-MNOVXSKESA-N	-1	0	304.350	0.715	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-]	ZINC000593268895	397345068	/nfs/dbraw/zinc/34/50/68/397345068.db2.gz	VCJHNRQCWAUVMS-HRDYMLBCSA-N	-1	0	307.397	0.313	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(CC#N)CC2)C1	ZINC000593271624	397346736	/nfs/dbraw/zinc/34/67/36/397346736.db2.gz	NMQKSVUFAJUHLT-ZDUSSCGKSA-N	-1	0	316.379	0.433	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CC[C@H]3CCC[C@H]32)c(=O)[n-]c1=O	ZINC000602139918	397317991	/nfs/dbraw/zinc/31/79/91/397317991.db2.gz	NWNCADGROQMIOP-ZYHUDNBSSA-N	-1	0	302.334	0.612	20	30		DCEDRM
Cc1c(S(=O)(=O)[N-]c2nc3n(c2C#N)CCS3)cnn1C	ZINC000578858402	397492950	/nfs/dbraw/zinc/49/29/50/397492950.db2.gz	AKBDRXPVURRVCA-UHFFFAOYSA-N	-1	0	324.391	0.703	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000594526533	397564624	/nfs/dbraw/zinc/56/46/24/397564624.db2.gz	AJWHUDHOZITLMC-MRVPVSSYSA-N	-1	0	305.290	0.342	20	30		DCEDRM
COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)CCCC#N)cn1	ZINC000492673807	397523570	/nfs/dbraw/zinc/52/35/70/397523570.db2.gz	FALVOEKJNCLANG-SNAWJCMRSA-N	-1	0	310.335	0.248	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccc2c(c1)OCO2	ZINC000493385632	397526686	/nfs/dbraw/zinc/52/66/86/397526686.db2.gz	KNIYVMGKMGDASE-ALCCZGGFSA-N	-1	0	307.327	0.898	20	30		DCEDRM
COc1ccc(/C=C/C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)nc1	ZINC000493687401	397528781	/nfs/dbraw/zinc/52/87/81/397528781.db2.gz	IXFKYLHEGNAOCV-HWKANZROSA-N	-1	0	321.358	0.853	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)CC[C@@H]1C(=O)[O-]	ZINC000599940785	397546731	/nfs/dbraw/zinc/54/67/31/397546731.db2.gz	QZFRIIZPMVRYIM-QWRGUYRKSA-N	-1	0	309.366	0.612	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](CC(=O)[O-])C2)cn1	ZINC000127114410	158270372	/nfs/dbraw/zinc/27/03/72/158270372.db2.gz	VAZUMEDMELVFFD-JTQLQIEISA-N	-1	0	309.347	0.829	20	30		DCEDRM
Cc1nc(C(=O)NCC2(C(=O)[O-])CCOCC2)ccc1C#N	ZINC000262113575	158774408	/nfs/dbraw/zinc/77/44/08/158774408.db2.gz	JYENMBYXGHZYTH-UHFFFAOYSA-N	-1	0	303.318	0.873	20	30		DCEDRM
CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(C#N)c(C)c2)C1	ZINC000320075190	159010053	/nfs/dbraw/zinc/01/00/53/159010053.db2.gz	VPEZPDSZOAKJGZ-YPMHNXCESA-N	-1	0	324.358	0.729	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])o1	ZINC000367481570	159341339	/nfs/dbraw/zinc/34/13/39/159341339.db2.gz	VRUINVTWAAWDHF-MRVPVSSYSA-N	-1	0	300.292	0.015	20	30		DCEDRM
COC(=O)c1nscc1S(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000352876014	415354672	/nfs/dbraw/zinc/35/46/72/415354672.db2.gz	JDDSZFRPFURUCJ-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000273045122	415301260	/nfs/dbraw/zinc/30/12/60/415301260.db2.gz	GVUHFAHMOOMBIS-UHFFFAOYSA-N	-1	0	314.319	0.631	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1	ZINC000342868028	415324879	/nfs/dbraw/zinc/32/48/79/415324879.db2.gz	IVLNAGKYPZTXOP-VIFPVBQESA-N	-1	0	312.347	0.354	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-]	ZINC000275137623	415371986	/nfs/dbraw/zinc/37/19/86/415371986.db2.gz	JLYHVQGPIIQIII-VIFPVBQESA-N	-1	0	321.305	0.293	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)c1	ZINC000336849694	415835122	/nfs/dbraw/zinc/83/51/22/415835122.db2.gz	SUKBZWUSZROZKM-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
COCc1nc(=NC(=O)COc2ccccc2C#N)s[n-]1	ZINC000344041618	415826769	/nfs/dbraw/zinc/82/67/69/415826769.db2.gz	AADYVQMACJTHIW-UHFFFAOYSA-N	-1	0	304.331	0.996	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)N(C)Cc1nc(=O)c2sccc2[n-]1	ZINC000131557366	415931062	/nfs/dbraw/zinc/93/10/62/415931062.db2.gz	DOHOPNQVEUXVAD-SECBINFHSA-N	-1	0	304.375	0.554	20	30		DCEDRM
C[C@H](NC(=O)C1CCCC1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000298754712	416027118	/nfs/dbraw/zinc/02/71/18/416027118.db2.gz	VFSOBXNECFLAGN-QMMMGPOBSA-N	-1	0	300.322	0.786	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2cccc3c2CNC3=O)c1	ZINC000357066031	416029314	/nfs/dbraw/zinc/02/93/14/416029314.db2.gz	BLBQWVJDUMSNFY-UHFFFAOYSA-N	-1	0	314.326	0.997	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)o1	ZINC000346649710	416200306	/nfs/dbraw/zinc/20/03/06/416200306.db2.gz	TUVIFNZRIHVQNW-UHFFFAOYSA-N	-1	0	307.287	1.134	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)N=c2nc(SC)[n-]s2)CCO1	ZINC000331036291	416254279	/nfs/dbraw/zinc/25/42/79/416254279.db2.gz	BDKZYABHJXVBJY-ZCFIWIBFSA-N	-1	0	318.380	0.679	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000262284014	416336517	/nfs/dbraw/zinc/33/65/17/416336517.db2.gz	XERGTKDRQZNUTO-QWRGUYRKSA-N	-1	0	300.355	0.405	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2ccc(C#N)cn2)C1=O	ZINC000416445666	416369708	/nfs/dbraw/zinc/36/97/08/416369708.db2.gz	MIJRZYDLZLNOAX-YPMHNXCESA-N	-1	0	302.334	1.075	20	30		DCEDRM
C[C@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)c1cccc(C#N)c1	ZINC000360149391	416375024	/nfs/dbraw/zinc/37/50/24/416375024.db2.gz	IJDPUHGEBIBEAB-QMMMGPOBSA-N	-1	0	319.346	0.822	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)NCCCC(=O)[O-])c1	ZINC000362003778	416544751	/nfs/dbraw/zinc/54/47/51/416544751.db2.gz	WHJGOFFBQZNHKP-UHFFFAOYSA-N	-1	0	300.311	0.982	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C#N)C(C)C	ZINC000488413937	416558671	/nfs/dbraw/zinc/55/86/71/416558671.db2.gz	DJCLOOMMROMWSL-ZETCQYMHSA-N	-1	0	303.365	0.756	20	30		DCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000362607159	416569314	/nfs/dbraw/zinc/56/93/14/416569314.db2.gz	TXPHDTXPRDTGPI-SNVBAGLBSA-N	-1	0	314.301	1.245	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-]	ZINC000424367457	416639097	/nfs/dbraw/zinc/63/90/97/416639097.db2.gz	MDCHQDVVOHGBLS-WOPDTQHZSA-N	-1	0	317.411	0.898	20	30		DCEDRM
N#Cc1cc(Cl)ccc1S(=O)(=O)NCCn1ncnn1	ZINC000443496845	416762559	/nfs/dbraw/zinc/76/25/59/416762559.db2.gz	DXAXDDPDORBUFI-UHFFFAOYSA-N	-1	0	312.742	0.177	20	30		DCEDRM
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCC2(C#N)CC2)c1	ZINC000562436703	416863673	/nfs/dbraw/zinc/86/36/73/416863673.db2.gz	DJBXVWPEIPRXTM-UHFFFAOYSA-N	-1	0	323.374	0.676	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-]	ZINC000563227264	416875937	/nfs/dbraw/zinc/87/59/37/416875937.db2.gz	UPMWFGBRJLOBJN-LLVKDONJSA-N	-1	0	321.399	0.277	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCOC)CCC(=O)[O-]	ZINC000565056188	416915746	/nfs/dbraw/zinc/91/57/46/416915746.db2.gz	VELLYZQRUUKWGG-NSHDSACASA-N	-1	0	321.399	0.136	20	30		DCEDRM
C[C@H](CC(C)(C)NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000565055808	416918006	/nfs/dbraw/zinc/91/80/06/416918006.db2.gz	KUZVDCGQHVFUIC-NXEZZACHSA-N	-1	0	305.400	0.802	20	30		DCEDRM
Cn1cc(C#N)c(=NC(=O)N=c2ccn(CC(F)(F)F)[nH]2)[n-]1	ZINC000616990036	417149708	/nfs/dbraw/zinc/14/97/08/417149708.db2.gz	WXCBHUFQSMFBEA-UHFFFAOYSA-N	-1	0	313.243	0.538	20	30		DCEDRM
CCN(C)C(=O)[C@@H](NS(=O)(=O)CC1(C#N)CC1)C(C)C	ZINC000451737572	417387568	/nfs/dbraw/zinc/38/75/68/417387568.db2.gz	VNAGBKALRNAIOS-NSHDSACASA-N	-1	0	301.412	0.712	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N[C@@H](Cc2ccco2)C(=O)[O-])CC1	ZINC000573925401	417476330	/nfs/dbraw/zinc/47/63/30/417476330.db2.gz	XUVPYGXQCBKQKF-NSHDSACASA-N	-1	0	312.347	0.889	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@H](CC2(OC)CCC2)C(=O)[O-])nn1	ZINC000652111327	417847139	/nfs/dbraw/zinc/84/71/39/417847139.db2.gz	SOLRWTRPZMRCSD-JTQLQIEISA-N	-1	0	308.338	0.606	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000659665288	418140680	/nfs/dbraw/zinc/14/06/80/418140680.db2.gz	QCKARMABDGVCFM-NEPJUHHUSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C=CCOCCNC(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000649527669	418258647	/nfs/dbraw/zinc/25/86/47/418258647.db2.gz	POPZZUXNTNYPAI-LLVKDONJSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCC[C@H](OC)C2)nn1	ZINC000656246765	418338011	/nfs/dbraw/zinc/33/80/11/418338011.db2.gz	WOXHMXICYAEDRF-MDZLAQPJSA-N	-1	0	322.365	0.852	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)N1CCC(CC)CC1)C(=O)[O-]	ZINC000656512376	418358845	/nfs/dbraw/zinc/35/88/45/418358845.db2.gz	JTYRAQRJMOIIPN-GFCCVEGCSA-N	-1	0	302.396	0.809	20	30		DCEDRM
C=CCOCCCNC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000656595821	418365472	/nfs/dbraw/zinc/36/54/72/418365472.db2.gz	RTYIZDNXGJSTNC-VXGBXAGGSA-N	-1	0	300.355	0.853	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000362275968	262017945	/nfs/dbraw/zinc/01/79/45/262017945.db2.gz	DSSFQCYCBZDLGE-LBPRGKRZSA-N	-1	0	312.347	0.954	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000362275965	262018378	/nfs/dbraw/zinc/01/83/78/262018378.db2.gz	DSSFQCYCBZDLGE-GFCCVEGCSA-N	-1	0	312.347	0.954	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2cc([O-])ccc2[N+](=O)[O-])c1=O	ZINC000436474322	267251117	/nfs/dbraw/zinc/25/11/17/267251117.db2.gz	LAHYPOCLMBCSNB-UHFFFAOYSA-N	-1	0	316.273	0.564	20	30		DCEDRM
COC(=O)NCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000496088854	267381420	/nfs/dbraw/zinc/38/14/20/267381420.db2.gz	TWZBNSDZOVXJCF-UHFFFAOYSA-N	-1	0	319.289	0.471	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccc[nH]2)cn1	ZINC000492870311	268254499	/nfs/dbraw/zinc/25/44/99/268254499.db2.gz	VWFPCLYUFHSOIF-XQRVVYSFSA-N	-1	0	302.315	0.800	20	30		DCEDRM
N#Cc1c([N-]S(=O)(=O)c2ccoc2)[nH]nc1N1CCOCC1	ZINC000560452393	288503338	/nfs/dbraw/zinc/50/33/38/288503338.db2.gz	XANYLCKXNZTNCT-UHFFFAOYSA-N	-1	0	323.334	0.512	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])ccc1C#N	ZINC000365522044	301388998	/nfs/dbraw/zinc/38/89/98/301388998.db2.gz	KMXQLWLRFGSPKP-GFCCVEGCSA-N	-1	0	324.358	0.731	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000584175938	331854700	/nfs/dbraw/zinc/85/47/00/331854700.db2.gz	QDIUBSNUFQYQFT-NKWVEPMBSA-N	-1	0	317.289	0.460	20	30		DCEDRM
C=CCN(C(=O)CC(C)(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000569384074	332072974	/nfs/dbraw/zinc/07/29/74/332072974.db2.gz	JLEPVUMKHLUFPV-SNVBAGLBSA-N	-1	0	303.380	0.689	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](CC(C)(C)C)C(=O)[O-]	ZINC000578538565	332387004	/nfs/dbraw/zinc/38/70/04/332387004.db2.gz	YWZQIRVGKIBDPU-UWVGGRQHSA-N	-1	0	305.400	0.944	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N=c1nc(CCC)[n-]s1	ZINC000411442618	333673300	/nfs/dbraw/zinc/67/33/00/333673300.db2.gz	AFBWJWKGKOAGRG-UHFFFAOYSA-N	-1	0	312.395	0.512	20	30		DCEDRM
COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000049502171	334342033	/nfs/dbraw/zinc/34/20/33/334342033.db2.gz	AEJSIHVIJGBRBR-UHFFFAOYSA-N	-1	0	324.746	0.417	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1	ZINC000571926840	337582069	/nfs/dbraw/zinc/58/20/69/337582069.db2.gz	HAASTDFOOVBYJQ-CHWSQXEVSA-N	-1	0	313.375	0.539	20	30		DCEDRM
C=CCN(C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)C1CC1	ZINC000422910976	337690865	/nfs/dbraw/zinc/69/08/65/337690865.db2.gz	JRKLVQKPCOELBB-MEDUHNTESA-N	-1	0	306.362	0.877	20	30		DCEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1	ZINC000088475113	337861983	/nfs/dbraw/zinc/86/19/83/337861983.db2.gz	PHADPSFWNMLUFZ-VIFPVBQESA-N	-1	0	303.365	0.378	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)OC	ZINC000436527082	338275231	/nfs/dbraw/zinc/27/52/31/338275231.db2.gz	BXQSGOWJRQPWAX-JTQLQIEISA-N	-1	0	324.289	0.774	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCOC2=O)cc1	ZINC000496850350	340014525	/nfs/dbraw/zinc/01/45/25/340014525.db2.gz	XEWJLPRRNKZXTP-UHFFFAOYSA-N	-1	0	323.330	0.616	20	30		DCEDRM
C=CCCC[C@@H](C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000398131205	340715725	/nfs/dbraw/zinc/71/57/25/340715725.db2.gz	FOGWNJCJTMEUFH-SNVBAGLBSA-N	-1	0	301.368	0.991	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C)nn1C1CCOCC1	ZINC000528973864	340741268	/nfs/dbraw/zinc/74/12/68/340741268.db2.gz	PWKAMIGEYRMZLS-UHFFFAOYSA-N	-1	0	313.379	0.789	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000529103033	340745050	/nfs/dbraw/zinc/74/50/50/340745050.db2.gz	BWRCMXIPCLBFQI-QJPTWQEYSA-N	-1	0	317.407	0.981	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1	ZINC000548231354	341252915	/nfs/dbraw/zinc/25/29/15/341252915.db2.gz	DFJUUAIMFSTNFU-UHFFFAOYSA-N	-1	0	322.342	0.789	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(C)(C)[C@H]1C(=O)[O-]	ZINC000574576722	341762650	/nfs/dbraw/zinc/76/26/50/341762650.db2.gz	QMNKAJSYRZSRNG-NXEZZACHSA-N	-1	0	303.384	0.508	20	30		DCEDRM
CON=CC(=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1	ZINC001447446858	1159643864	/nfs/dbraw/zinc/64/38/64/1159643864.db2.gz	JDTLNZMRFKMNTJ-SNVBAGLBSA-N	-1	0	312.692	0.830	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000262097601	526672083	/nfs/dbraw/zinc/67/20/83/526672083.db2.gz	IMGJWEGLAUNBMT-CYBMUJFWSA-N	-1	0	304.302	0.639	20	30		DCEDRM
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)[O-])c1	ZINC000342875958	526675898	/nfs/dbraw/zinc/67/58/98/526675898.db2.gz	VHHVKOILPBCTJW-VIFPVBQESA-N	-1	0	312.347	0.354	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)[O-]	ZINC000262935730	526806711	/nfs/dbraw/zinc/80/67/11/526806711.db2.gz	HIHIVRGDXKHQPY-UWVGGRQHSA-N	-1	0	300.355	0.309	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)nc1	ZINC000263229415	527035842	/nfs/dbraw/zinc/03/58/42/527035842.db2.gz	QJGWRJCZXOJFEF-AAEUAGOBSA-N	-1	0	301.346	0.992	20	30		DCEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)C(=O)[O-])c1	ZINC000262510262	527057558	/nfs/dbraw/zinc/05/75/58/527057558.db2.gz	KBWGPJLJLIPECL-SNVBAGLBSA-N	-1	0	324.358	0.049	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000159565386	527165493	/nfs/dbraw/zinc/16/54/93/527165493.db2.gz	VDCZMONBRMCNLO-SECBINFHSA-N	-1	0	312.303	0.658	20	30		DCEDRM
C=CCC[C@@H](NC(=O)CNC(=O)NCc1ccco1)C(=O)[O-]	ZINC000262787824	527437194	/nfs/dbraw/zinc/43/71/94/527437194.db2.gz	BOVJGCUXLPVIBV-LLVKDONJSA-N	-1	0	309.322	0.614	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1	ZINC000262107674	527453761	/nfs/dbraw/zinc/45/37/61/527453761.db2.gz	MKLYQOAKXVTSTQ-CHWSQXEVSA-N	-1	0	300.314	0.833	20	30		DCEDRM
Cc1cc(C)n(N=Cc2ccc(CO)o2)c(=O)c1-c1nnn[n-]1	ZINC000737256450	598824714	/nfs/dbraw/zinc/82/47/14/598824714.db2.gz	KYRVLWWCFGQOGI-UHFFFAOYSA-N	-1	0	314.305	0.613	20	30		DCEDRM
C#CCCNC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC000735374379	598840608	/nfs/dbraw/zinc/84/06/08/598840608.db2.gz	BLGQTONKSXGQDL-UHFFFAOYSA-N	-1	0	304.335	0.442	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C	ZINC000735408199	598973796	/nfs/dbraw/zinc/97/37/96/598973796.db2.gz	HIZRCEKTZVNASI-UHFFFAOYSA-N	-1	0	321.362	0.946	20	30		DCEDRM
C[C@H](C#N)CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000738597375	597003964	/nfs/dbraw/zinc/00/39/64/597003964.db2.gz	RKMPYVNPVBJEHJ-ZWNOBZJWSA-N	-1	0	300.318	0.982	20	30		DCEDRM
N#Cc1ccc(CN2CCN(C(=O)NCCC(=O)[O-])CC2)cc1	ZINC000819100592	597224639	/nfs/dbraw/zinc/22/46/39/597224639.db2.gz	RIXJJUADUVWXRR-UHFFFAOYSA-N	-1	0	316.361	0.860	20	30		DCEDRM
N#Cc1cccnc1N1CCN(C(=O)NCCC(=O)[O-])CC1	ZINC000819111403	597226423	/nfs/dbraw/zinc/22/64/23/597226423.db2.gz	SPLCBCWGXYEXHR-UHFFFAOYSA-N	-1	0	303.322	0.260	20	30		DCEDRM
Cc1cc(NC(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])on1	ZINC000821008889	597613877	/nfs/dbraw/zinc/61/38/77/597613877.db2.gz	QYQKBQMTVMCZPI-ISVAXAHUSA-N	-1	0	309.278	0.858	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cccnc1-n1ccnc1	ZINC000819841776	597631515	/nfs/dbraw/zinc/63/15/15/597631515.db2.gz	DBOZNLRIIATYLU-HNNXBMFYSA-N	-1	0	313.317	0.888	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)COc1ccc(F)cc1	ZINC000819835469	597637705	/nfs/dbraw/zinc/63/77/05/597637705.db2.gz	VDYBHHXXLORANL-NHYWBVRUSA-N	-1	0	324.308	0.686	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(CC(F)(F)F)C1	ZINC000819821796	597638770	/nfs/dbraw/zinc/63/87/70/597638770.db2.gz	JULQGSBSHDOFKA-KWQFWETISA-N	-1	0	307.272	0.744	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(N2CCCC2=O)CC1	ZINC000819811867	597644035	/nfs/dbraw/zinc/64/40/35/597644035.db2.gz	WHDFQTMBIGVVPW-HNNXBMFYSA-N	-1	0	307.350	0.604	20	30		DCEDRM
COc1cc2c(nn1)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2	ZINC000820805362	597657290	/nfs/dbraw/zinc/65/72/90/597657290.db2.gz	WENGZRYSIPKBOV-AWEZNQCLSA-N	-1	0	304.306	0.374	20	30		DCEDRM
CC(=O)NCCN(C(=O)Cc1cccc(C#N)c1)[C@@H](C)C(=O)[O-]	ZINC000819746043	597690292	/nfs/dbraw/zinc/69/02/92/597690292.db2.gz	RYRBQZPRCXAMOL-NSHDSACASA-N	-1	0	317.345	0.539	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)nn1CCC#N	ZINC000821009073	598095038	/nfs/dbraw/zinc/09/50/38/598095038.db2.gz	ULLOOTRRVKUUJS-NSHDSACASA-N	-1	0	321.337	0.269	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCN1CCCCCC1=O	ZINC000819835224	598222324	/nfs/dbraw/zinc/22/23/24/598222324.db2.gz	UDGZMNCJWKETCR-HNNXBMFYSA-N	-1	0	309.366	0.900	20	30		DCEDRM
CCOC(=O)N1CCC(NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820369231	598224836	/nfs/dbraw/zinc/22/48/36/598224836.db2.gz	VUULFKOZLYSEEO-CQSZACIVSA-N	-1	0	311.338	0.728	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(O[C@H]2CCOC2)CC1	ZINC000819811462	598229477	/nfs/dbraw/zinc/22/94/77/598229477.db2.gz	OZKSULGKYZDHMV-SWLSCSKDSA-N	-1	0	310.350	0.787	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(c2ncccc2F)C1	ZINC000819835186	598229978	/nfs/dbraw/zinc/22/99/78/598229978.db2.gz	SPXQKNJKZZATPT-BONVTDFDSA-N	-1	0	320.324	0.920	20	30		DCEDRM
C[C@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)n1cccc1	ZINC000735978584	598258555	/nfs/dbraw/zinc/25/85/55/598258555.db2.gz	XKZRBHGUJAAYQN-MRVPVSSYSA-N	-1	0	311.309	0.853	20	30		DCEDRM
CCn1cc(C=Nn2c(C)cc(C)c(-c3nnn[n-]3)c2=O)cn1	ZINC000736721116	598740020	/nfs/dbraw/zinc/74/00/20/598740020.db2.gz	CKTQXNZHSSPEAL-UHFFFAOYSA-N	-1	0	312.337	0.744	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)/C=C/c1ccccc1C#N	ZINC000737605760	599751199	/nfs/dbraw/zinc/75/11/99/599751199.db2.gz	YXMZCKCPDFNJEJ-VOTSOKGWSA-N	-1	0	302.286	0.658	20	30		DCEDRM
CC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC000736889401	599791488	/nfs/dbraw/zinc/79/14/88/599791488.db2.gz	XRIMOMFLJOVPAE-TVQRCGJNSA-N	-1	0	319.317	0.726	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@H](NC(=O)[O-])C(C)C)CC1	ZINC000736078662	599846169	/nfs/dbraw/zinc/84/61/69/599846169.db2.gz	DMPOGCPIRIQTGP-GFCCVEGCSA-N	-1	0	309.366	0.267	20	30		DCEDRM
N#Cc1cccnc1N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC000739141873	600106900	/nfs/dbraw/zinc/10/69/00/600106900.db2.gz	BIPOJIBZGJCGHW-RYUDHWBXSA-N	-1	0	300.318	0.323	20	30		DCEDRM
C#Cc1ccc(C(=O)OCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cn1	ZINC000736093767	600119318	/nfs/dbraw/zinc/11/93/18/600119318.db2.gz	ZTPNBIBBFANQHM-HZMBPMFUSA-N	-1	0	318.329	0.835	20	30		DCEDRM
CON=Cc1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1	ZINC000737840263	600181426	/nfs/dbraw/zinc/18/14/26/600181426.db2.gz	WLGJXLNGKGBXKP-UHFFFAOYSA-N	-1	0	303.278	0.664	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)CCC(=O)NCC(=O)[O-])c1	ZINC000736091434	600290532	/nfs/dbraw/zinc/29/05/32/600290532.db2.gz	SLEOVLDJXPRKJZ-UHFFFAOYSA-N	-1	0	317.345	0.129	20	30		DCEDRM
N#CCNC(=O)CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1	ZINC000739087035	600326582	/nfs/dbraw/zinc/32/65/82/600326582.db2.gz	STLCAMZPINFACC-UHFFFAOYSA-N	-1	0	311.288	0.881	20	30		DCEDRM
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCC(=O)[O-]	ZINC000736486036	600334381	/nfs/dbraw/zinc/33/43/81/600334381.db2.gz	JNPNRPWJOLOVKC-UHFFFAOYSA-N	-1	0	319.317	0.875	20	30		DCEDRM
CC(=O)N[C@@H](CC(=O)N(CC#N)CC(=O)[O-])c1ccc(C)cc1	ZINC000736145928	600401542	/nfs/dbraw/zinc/40/15/42/600401542.db2.gz	YJLAGWDLZIZHBQ-AWEZNQCLSA-N	-1	0	317.345	0.999	20	30		DCEDRM
COc1ccc2c(c1)C[C@H](C(=O)N(CC#N)CC(=O)[O-])CO2	ZINC000738073068	600402912	/nfs/dbraw/zinc/40/29/12/600402912.db2.gz	AQDMWUSPCSYZBR-NSHDSACASA-N	-1	0	304.302	0.683	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@H](NC(N)=O)c1cccs1	ZINC000739077520	600403685	/nfs/dbraw/zinc/40/36/85/600403685.db2.gz	PDEFYFAEZCQEFW-QMMMGPOBSA-N	-1	0	310.335	0.284	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(CN2CCCC2=O)cc1	ZINC000739087255	600408645	/nfs/dbraw/zinc/40/86/45/600408645.db2.gz	KGEVHEQYZFAOSC-UHFFFAOYSA-N	-1	0	315.329	0.859	20	30		DCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000736706733	600535301	/nfs/dbraw/zinc/53/53/01/600535301.db2.gz	DMGOHMVYOBBUEK-QMMMGPOBSA-N	-1	0	315.289	0.709	20	30		DCEDRM
CNC(=O)C1(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000737535844	600616850	/nfs/dbraw/zinc/61/68/50/600616850.db2.gz	QTVXJQTYYMVKON-NSHDSACASA-N	-1	0	302.286	0.753	20	30		DCEDRM
COC(=O)CN(CC#N)S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000737603705	600764334	/nfs/dbraw/zinc/76/43/34/600764334.db2.gz	GVSUWKDQTLJESR-UHFFFAOYSA-N	-1	0	312.303	0.072	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccc2nsnc21	ZINC000739085563	600764777	/nfs/dbraw/zinc/76/47/77/600764777.db2.gz	IIBCHOMEFZTFPO-UHFFFAOYSA-N	-1	0	312.332	0.290	20	30		DCEDRM
CN1CCC(=O)Nc2cc(C(=O)N(CC#N)CC(=O)[O-])ccc21	ZINC000830918227	600963367	/nfs/dbraw/zinc/96/33/67/600963367.db2.gz	SMZDLUQVSWCZCE-UHFFFAOYSA-N	-1	0	316.317	0.515	20	30		DCEDRM
C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000828251196	601003734	/nfs/dbraw/zinc/00/37/34/601003734.db2.gz	FNXWKRDXEZESPF-WDEREUQCSA-N	-1	0	310.354	0.301	20	30		DCEDRM
Cc1ccccc1C[C@@H](C)NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832980962	601004243	/nfs/dbraw/zinc/00/42/43/601004243.db2.gz	RQUQHGSYURSZIM-CYBMUJFWSA-N	-1	0	303.362	0.952	20	30		DCEDRM
COc1ccccc1CN(C)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000832612809	601006216	/nfs/dbraw/zinc/00/62/16/601006216.db2.gz	DDYCLTAQPWAPJD-UHFFFAOYSA-N	-1	0	305.334	0.564	20	30		DCEDRM
C#CCCNC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000825608546	601152156	/nfs/dbraw/zinc/15/21/56/601152156.db2.gz	BRUFYOWXVDKOPK-JTQLQIEISA-N	-1	0	321.358	0.874	20	30		DCEDRM
CCOC(=O)[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC000829837516	601320247	/nfs/dbraw/zinc/32/02/47/601320247.db2.gz	HPJGYNSPCKOJAW-ZIAGYGMSSA-N	-1	0	318.329	0.948	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)[C@@H]2CCC(=O)NC2)C(=O)[O-])c1	ZINC000833075336	601349611	/nfs/dbraw/zinc/34/96/11/601349611.db2.gz	KGZYBAUJYHIFEH-DGCLKSJQSA-N	-1	0	302.286	0.753	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC000833068403	601430965	/nfs/dbraw/zinc/43/09/65/601430965.db2.gz	WEPAKGOWXILCBL-UHFFFAOYSA-N	-1	0	305.290	0.366	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CCn2ccc([N+](=O)[O-])n2)c1=O	ZINC000833069295	601473388	/nfs/dbraw/zinc/47/33/88/601473388.db2.gz	ZSKGYHYEKMPWRG-UHFFFAOYSA-N	-1	0	303.234	0.223	20	30		DCEDRM
C[C@H]1CN(c2ncnc3c2cnn3CCC#N)C[C@@H]1C(=O)[O-]	ZINC000828500729	601564705	/nfs/dbraw/zinc/56/47/05/601564705.db2.gz	WZTUQZJWWLCUPN-ONGXEEELSA-N	-1	0	300.322	0.897	20	30		DCEDRM
C#CCNC(=O)COC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1	ZINC000825619467	601682246	/nfs/dbraw/zinc/68/22/46/601682246.db2.gz	NAWNIUYMFFMLGN-UHFFFAOYSA-N	-1	0	319.313	0.673	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1	ZINC000833070772	601759452	/nfs/dbraw/zinc/75/94/52/601759452.db2.gz	SRYDWRSJKXTOJN-OAHLLOKOSA-N	-1	0	319.292	0.313	20	30		DCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC000736372243	602385368	/nfs/dbraw/zinc/38/53/68/602385368.db2.gz	ZWNSLBPMWWVSBE-LBPRGKRZSA-N	-1	0	305.338	0.774	20	30		DCEDRM
C[C@@H]1CN(c2ncnc3c2cnn3CCC#N)CCN1C(=O)[O-]	ZINC000826086686	603194722	/nfs/dbraw/zinc/19/47/22/603194722.db2.gz	ASMNDHQJBRIFCJ-SNVBAGLBSA-N	-1	0	315.337	0.928	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1	ZINC000739139020	603241860	/nfs/dbraw/zinc/24/18/60/603241860.db2.gz	BUTXIBHXTOOSJZ-LLVKDONJSA-N	-1	0	309.347	0.979	20	30		DCEDRM
CN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000828085638	603473504	/nfs/dbraw/zinc/47/35/04/603473504.db2.gz	IEQMSOTVVHQHFO-LLVKDONJSA-N	-1	0	309.347	0.931	20	30		DCEDRM
CN(CC(=O)NCc1cccc(C#N)c1)[C@H]1CCN(C(=O)[O-])C1	ZINC000828108377	603496507	/nfs/dbraw/zinc/49/65/07/603496507.db2.gz	QCIPEHSKEIXVRI-AWEZNQCLSA-N	-1	0	316.361	0.859	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2c(c1)OCCO2	ZINC000831088059	603593331	/nfs/dbraw/zinc/59/33/31/603593331.db2.gz	WKXADMBJYIGCRD-LLVKDONJSA-N	-1	0	317.301	0.786	20	30		DCEDRM
N#CCCN(CCC#N)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000831097550	603595783	/nfs/dbraw/zinc/59/57/83/603595783.db2.gz	KQSNNMPWSITEAN-GFCCVEGCSA-N	-1	0	320.353	0.173	20	30		DCEDRM
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825063967	603597365	/nfs/dbraw/zinc/59/73/65/603597365.db2.gz	CIHOPLIIHAFUMN-NXEZZACHSA-N	-1	0	310.354	0.252	20	30		DCEDRM
CC(C)(CNC(=O)C(=O)Nc1cccc(C#N)c1)NC(=O)[O-]	ZINC000823894723	603613014	/nfs/dbraw/zinc/61/30/14/603613014.db2.gz	BSBCLIMIOXXISK-UHFFFAOYSA-N	-1	0	304.306	0.659	20	30		DCEDRM
COc1ccc(NC(=O)CN2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000829453650	603725576	/nfs/dbraw/zinc/72/55/76/603725576.db2.gz	IEYAAGJIVCLCQB-GFCCVEGCSA-N	-1	0	318.333	0.821	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)NCc1cccs1	ZINC000831091819	603728305	/nfs/dbraw/zinc/72/83/05/603728305.db2.gz	LPLAKCWAMDMKSP-SNVBAGLBSA-N	-1	0	308.363	0.552	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)c1	ZINC000823473912	603769736	/nfs/dbraw/zinc/76/97/36/603769736.db2.gz	JYXNLZNBABMHLP-CYBMUJFWSA-N	-1	0	315.329	0.817	20	30		DCEDRM
CN(C(=O)COC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(C)(C)C#N	ZINC000827773863	603788938	/nfs/dbraw/zinc/78/89/38/603788938.db2.gz	CCMWZNDMGSXNEU-CYBMUJFWSA-N	-1	0	315.301	0.382	20	30		DCEDRM
CN(C(=O)COC(=O)c1ccc(CNC(=O)[O-])o1)C(C)(C)C#N	ZINC000827775254	604013651	/nfs/dbraw/zinc/01/36/51/604013651.db2.gz	PTHIGDXFDBHBDP-UHFFFAOYSA-N	-1	0	323.305	0.965	20	30		DCEDRM
C[C@H](OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000825552876	604033924	/nfs/dbraw/zinc/03/39/24/604033924.db2.gz	SFNOUBXZEHELCX-AXFHLTTASA-N	-1	0	311.338	0.726	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000831087801	604076751	/nfs/dbraw/zinc/07/67/51/604076751.db2.gz	QODIKZOHPOTKDG-SECBINFHSA-N	-1	0	316.273	0.861	20	30		DCEDRM
CCc1nc(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cs1	ZINC000827632724	604079069	/nfs/dbraw/zinc/07/90/69/604079069.db2.gz	QWVILJXKSBWXOT-JTQLQIEISA-N	-1	0	308.363	0.962	20	30		DCEDRM
COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)C1	ZINC000828631148	604080185	/nfs/dbraw/zinc/08/01/85/604080185.db2.gz	MFNKKGGOFMNAIN-TUAOUCFPSA-N	-1	0	323.349	0.680	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCCOc1cccnc1	ZINC000831081981	604084032	/nfs/dbraw/zinc/08/40/32/604084032.db2.gz	FOIHMXKTEBFNGX-GFCCVEGCSA-N	-1	0	318.333	0.955	20	30		DCEDRM
CC(C)CC(=O)NCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824170043	604084108	/nfs/dbraw/zinc/08/41/08/604084108.db2.gz	CUZITVAQHRNREZ-LLVKDONJSA-N	-1	0	310.354	0.253	20	30		DCEDRM
CC(=NN[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCCN1C(=O)[O-]	ZINC000823531533	604085662	/nfs/dbraw/zinc/08/56/62/604085662.db2.gz	ANMWAHGNJKRMLQ-GHMZBOCLSA-N	-1	0	303.384	0.672	20	30		DCEDRM
CN(C(=O)[O-])[C@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C1	ZINC000827895685	604233237	/nfs/dbraw/zinc/23/32/37/604233237.db2.gz	PXBPJYXONPUYJA-NSHDSACASA-N	-1	0	309.347	0.931	20	30		DCEDRM
CN(C(=O)[O-])[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000827894522	604235926	/nfs/dbraw/zinc/23/59/26/604235926.db2.gz	ISTLCQCUMSYZTE-SNVBAGLBSA-N	-1	0	310.335	0.326	20	30		DCEDRM
CCCCN(C)S(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826829864	604242520	/nfs/dbraw/zinc/24/25/20/604242520.db2.gz	JTRQSQBBFLEMCT-JTQLQIEISA-N	-1	0	304.372	0.151	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000831152837	604243897	/nfs/dbraw/zinc/24/38/97/604243897.db2.gz	ODYFAFIGPVHWNH-NSHDSACASA-N	-1	0	320.330	0.435	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)C[C@@H]1CCCCO1	ZINC000831091791	604244474	/nfs/dbraw/zinc/24/44/74/604244474.db2.gz	KWCXESHHKWNEOF-MNOVXSKESA-N	-1	0	317.367	0.073	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)n1	ZINC000833078566	604330980	/nfs/dbraw/zinc/33/09/80/604330980.db2.gz	LKZBYWGBDQPQGT-LBPRGKRZSA-N	-1	0	319.708	0.745	20	30		DCEDRM
CN(CC(=O)N(CCC#N)CCC#N)C1(C(=O)[O-])CCCC1	ZINC000390698149	604460836	/nfs/dbraw/zinc/46/08/36/604460836.db2.gz	CYDYWCGGBDLNCF-UHFFFAOYSA-N	-1	0	306.366	0.972	20	30		DCEDRM
CC(=NNC(=S)NCC(N)=O)[C@@H](C)CCCCC(=O)[O-]	ZINC000814845537	604640692	/nfs/dbraw/zinc/64/06/92/604640692.db2.gz	ZKUUEKLSNVJKES-QMMMGPOBSA-N	-1	0	302.400	0.593	20	30		DCEDRM
C=CCNc1ncc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)s1	ZINC000825691820	604741059	/nfs/dbraw/zinc/74/10/59/604741059.db2.gz	ACLFDAOTSDCPKB-ZETCQYMHSA-N	-1	0	313.335	0.487	20	30		DCEDRM
Cc1cc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)n(CCC#N)n1	ZINC000830103564	604742417	/nfs/dbraw/zinc/74/24/17/604742417.db2.gz	JGNSWFRLSWMDLR-NSHDSACASA-N	-1	0	321.337	0.813	20	30		DCEDRM
C=CCn1c(=O)[nH]nc1SCCc1cn(CC(=O)[O-])nn1	ZINC000825710981	604790411	/nfs/dbraw/zinc/79/04/11/604790411.db2.gz	JUYVHKLKHVKIKI-UHFFFAOYSA-N	-1	0	310.339	0.181	20	30		DCEDRM
C=CCNC(=O)CN1CCN([C@H](C(=O)[O-])c2cccnc2)CC1	ZINC000825687229	604793843	/nfs/dbraw/zinc/79/38/43/604793843.db2.gz	FTCQUYIQAKIKEQ-HNNXBMFYSA-N	-1	0	318.377	0.127	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000831102662	604821763	/nfs/dbraw/zinc/82/17/63/604821763.db2.gz	QDSSWHDBKBPMGG-CYBMUJFWSA-N	-1	0	319.317	0.584	20	30		DCEDRM
C[C@H](CCNC(=O)C#Cc1ccc2c(c1)OCO2)NC(=O)[O-]	ZINC000824776734	604849923	/nfs/dbraw/zinc/84/99/23/604849923.db2.gz	OGJQPKQZQUSGFK-SNVBAGLBSA-N	-1	0	304.302	0.929	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000833066303	604922984	/nfs/dbraw/zinc/92/29/84/604922984.db2.gz	TUVMFMWAMUKATM-UHFFFAOYSA-N	-1	0	305.265	0.761	20	30		DCEDRM
C[C@H](NC(=O)[O-])C(=O)OCC(=O)NCc1ccc(C#N)cc1	ZINC000833740580	604957449	/nfs/dbraw/zinc/95/74/49/604957449.db2.gz	OPSPRIKJTAAMOU-VIFPVBQESA-N	-1	0	305.290	0.374	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1C#N	ZINC000070393989	605027517	/nfs/dbraw/zinc/02/75/17/605027517.db2.gz	KZRBSPQHJKYMRY-UHFFFAOYSA-N	-1	0	316.310	0.419	20	30		DCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC	ZINC000833364779	605027612	/nfs/dbraw/zinc/02/76/12/605027612.db2.gz	DZCMRJOOSBFFKJ-UHFFFAOYSA-N	-1	0	311.315	0.473	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833369774	605059712	/nfs/dbraw/zinc/05/97/12/605059712.db2.gz	DZHXTTGRWYNGPM-ZETCQYMHSA-N	-1	0	306.365	0.304	20	30		DCEDRM
N#Cc1cc(COC(=O)C[C@H]2CN(C(=O)[O-])CCO2)ccn1	ZINC000831114734	605087816	/nfs/dbraw/zinc/08/78/16/605087816.db2.gz	SPPQZBKHXBBPHD-LBPRGKRZSA-N	-1	0	305.290	0.765	20	30		DCEDRM
N#CCCN(Cc1cccnc1)CN1C[C@H](C(=O)[O-])CC1=O	ZINC000833759984	605169800	/nfs/dbraw/zinc/16/98/00/605169800.db2.gz	CVYXYXBOJLSEGV-CYBMUJFWSA-N	-1	0	302.334	0.688	20	30		DCEDRM
Cn1ncc2c1nc(N=NC1CCC[C@@H]1CNC(=O)[O-])[n-]c2=O	ZINC000831054503	605173041	/nfs/dbraw/zinc/17/30/41/605173041.db2.gz	DKIKRMHAASIZDS-SSDOTTSWSA-N	-1	0	319.325	0.905	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000393786048	605211885	/nfs/dbraw/zinc/21/18/85/605211885.db2.gz	MNQUOURIMNXWIF-UHFFFAOYSA-N	-1	0	312.347	0.274	20	30		DCEDRM
CSCC[C@H](NC(=O)[O-])C(=O)OC1CCN(CC#N)CC1	ZINC000829737935	605269069	/nfs/dbraw/zinc/26/90/69/605269069.db2.gz	UPSRSJNSABDZCR-NSHDSACASA-N	-1	0	315.395	0.907	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CCCC1	ZINC000833378851	605269629	/nfs/dbraw/zinc/26/96/29/605269629.db2.gz	WFUURPSAIWDXQI-UHFFFAOYSA-N	-1	0	318.395	0.531	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCc2n[nH]cc2C1	ZINC000833965468	605321320	/nfs/dbraw/zinc/32/13/20/605321320.db2.gz	AZJXTCLKRCDFRH-KOLCDFICSA-N	-1	0	303.322	0.229	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)c(F)c1	ZINC000831131995	605360424	/nfs/dbraw/zinc/36/04/24/605360424.db2.gz	JFNQPTAUNMGMNF-VIFPVBQESA-N	-1	0	320.280	0.504	20	30		DCEDRM
O=C([O-])NCC(=O)NCC(=O)OCC#Cc1ccc(Cl)cc1	ZINC000834198408	605382811	/nfs/dbraw/zinc/38/28/11/605382811.db2.gz	GWIXUOIVUXRASU-UHFFFAOYSA-N	-1	0	324.720	0.619	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000833365981	605497817	/nfs/dbraw/zinc/49/78/17/605497817.db2.gz	AKMCGOQUNPXSBA-UHFFFAOYSA-N	-1	0	308.265	0.228	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCN(S(=O)(=O)N(C)CCC#N)C1	ZINC000833816218	605514641	/nfs/dbraw/zinc/51/46/41/605514641.db2.gz	INLZNLJVDMKLSK-NXEZZACHSA-N	-1	0	304.372	0.055	20	30		DCEDRM
N#C[C@@H](C(=O)C1CN(C(=O)[O-])C1)c1nnc2n1CCCCC2	ZINC000833960915	605586612	/nfs/dbraw/zinc/58/66/12/605586612.db2.gz	MOBPQEIJMTWAMT-JTQLQIEISA-N	-1	0	303.322	0.791	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833374408	605649877	/nfs/dbraw/zinc/64/98/77/605649877.db2.gz	ZQTSAKBNEQDBEJ-GRYCIOLGSA-N	-1	0	313.350	0.832	20	30		DCEDRM
N#Cc1cnccc1NC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000831161826	605681427	/nfs/dbraw/zinc/68/14/27/605681427.db2.gz	NIWQVLYNSIOWHY-SNVBAGLBSA-N	-1	0	306.347	0.799	20	30		DCEDRM
Cc1onc(CC(=O)N(C)C2CCN(C(=O)[O-])CC2)c1C#N	ZINC000833935373	605693368	/nfs/dbraw/zinc/69/33/68/605693368.db2.gz	GKJAYJXYRGOESR-UHFFFAOYSA-N	-1	0	306.322	0.998	20	30		DCEDRM
Cc1onc(CC(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)c1C#N	ZINC000833936214	605697660	/nfs/dbraw/zinc/69/76/60/605697660.db2.gz	LZQGRYZXBCOSGQ-QPUJVOFHSA-N	-1	0	322.321	0.281	20	30		DCEDRM
N#Cc1cccc(CON=C(N)[C@H]2COCCN2C(=O)[O-])c1	ZINC000833978716	605731729	/nfs/dbraw/zinc/73/17/29/605731729.db2.gz	UAAUYCGODWOWBJ-GFCCVEGCSA-N	-1	0	304.306	0.936	20	30		DCEDRM
NC(=O)CNC(=S)NN=C1C[C@H](NC(=O)[O-])c2ccccc21	ZINC000833985687	605741825	/nfs/dbraw/zinc/74/18/25/605741825.db2.gz	UBIREHNIRLIJFB-VIFPVBQESA-N	-1	0	321.362	0.053	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)NCC2CN(C(=O)[O-])C2)ccc1F	ZINC000833975283	605777543	/nfs/dbraw/zinc/77/75/43/605777543.db2.gz	UXUYMLWFHRRHKI-UHFFFAOYSA-N	-1	0	320.280	0.362	20	30		DCEDRM
CCCN(C(=O)Cn1cnc(C#N)n1)C1CCN(C(=O)[O-])CC1	ZINC000826867319	605883301	/nfs/dbraw/zinc/88/33/01/605883301.db2.gz	WBPBZVSWCAUBAD-UHFFFAOYSA-N	-1	0	320.353	0.531	20	30		DCEDRM
C[C@@H](OC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)C(=O)N(C)CCC#N	ZINC000825598313	605889711	/nfs/dbraw/zinc/88/97/11/605889711.db2.gz	JCYJRKBCBGIVRG-NXEZZACHSA-N	-1	0	313.354	0.972	20	30		DCEDRM
N#C[C@@H]1CSCCN1CN1CC2(CN(C(=O)[O-])C2)CC1=O	ZINC000833966081	605949103	/nfs/dbraw/zinc/94/91/03/605949103.db2.gz	HKLQDUDBBBSDIM-SNVBAGLBSA-N	-1	0	310.379	0.097	20	30		DCEDRM
N#CC1(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCSCC1	ZINC000833963985	606073321	/nfs/dbraw/zinc/07/33/21/606073321.db2.gz	ASEPHZVRKYCBID-GFCCVEGCSA-N	-1	0	301.343	0.984	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CC23CCOCC3)[n-]c1-c1nn[nH]n1	ZINC000822815363	606378872	/nfs/dbraw/zinc/37/88/72/606378872.db2.gz	PTWYSTLPPDEJDP-SSDOTTSWSA-N	-1	0	314.309	0.217	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(-c2nn[nH]n2)cs1	ZINC000819751288	606461021	/nfs/dbraw/zinc/46/10/21/606461021.db2.gz	SXKWNPVLYHIXTD-MRVPVSSYSA-N	-1	0	302.319	0.553	20	30		DCEDRM
Cc1c(C=Nn2c(C)cc(C)c(-c3nnn[n-]3)c2=O)cnn1C	ZINC000826265723	607885509	/nfs/dbraw/zinc/88/55/09/607885509.db2.gz	KKZULQSQUMWQGT-UHFFFAOYSA-N	-1	0	312.337	0.569	20	30		DCEDRM
CN(CCn1c(N)nc(-c2nnn[n-]2)c1C#N)c1ccccc1	ZINC000825950270	609174309	/nfs/dbraw/zinc/17/43/09/609174309.db2.gz	LUTVOCOOJBOXTD-UHFFFAOYSA-N	-1	0	309.337	0.653	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001028145032	661237252	/nfs/dbraw/zinc/23/72/52/661237252.db2.gz	OCGISSCBSRMQHG-UTUOFQBUSA-N	-1	0	321.381	0.182	20	30		DCEDRM
CCc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)[nH]n1	ZINC000120162116	657561276	/nfs/dbraw/zinc/56/12/76/657561276.db2.gz	QPYXBBIUWQUJJI-UHFFFAOYSA-N	-1	0	304.331	0.962	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC000949436531	658131823	/nfs/dbraw/zinc/13/18/23/658131823.db2.gz	YDGPBBMFYVCMHN-SNVBAGLBSA-N	-1	0	306.366	0.967	20	30		DCEDRM
C[C@@H]1CO[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)C1	ZINC000892664285	659103823	/nfs/dbraw/zinc/10/38/23/659103823.db2.gz	NPGSXNFNPXVLQP-GWCFXTLKSA-N	-1	0	308.359	0.929	20	30		DCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)N(C)CCC(=O)OCC	ZINC000893424508	659133561	/nfs/dbraw/zinc/13/35/61/659133561.db2.gz	ZWMRWRSCGSKFEO-UHFFFAOYSA-N	-1	0	306.384	0.589	20	30		DCEDRM
COC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000776115942	659403467	/nfs/dbraw/zinc/40/34/67/659403467.db2.gz	ANYQEYAXEKXTDK-WDEREUQCSA-N	-1	0	316.379	0.716	20	30		DCEDRM
CCCOCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000049178108	662063837	/nfs/dbraw/zinc/06/38/37/662063837.db2.gz	DDNXDIXINPVBQM-UHFFFAOYSA-N	-1	0	303.340	0.196	20	30		DCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)N1CCc2ccccc21	ZINC000729902032	662912056	/nfs/dbraw/zinc/91/20/56/662912056.db2.gz	LGEWOWKDNLHEGN-UHFFFAOYSA-N	-1	0	311.388	0.667	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)n1C	ZINC000899926579	663201076	/nfs/dbraw/zinc/20/10/76/663201076.db2.gz	OEVMMWNIBGOBNE-NSHDSACASA-N	-1	0	311.363	0.217	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@H]1CC2(CCC2)CO1)C(=O)[O-]	ZINC000905577251	663566540	/nfs/dbraw/zinc/56/65/40/663566540.db2.gz	MDARRUDGZIXQQY-NWDGAFQWSA-N	-1	0	312.366	0.901	20	30		DCEDRM
C#CCN(C)S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2	ZINC000906947519	663656889	/nfs/dbraw/zinc/65/68/89/663656889.db2.gz	MBAQYXAZGUXAMT-UHFFFAOYSA-N	-1	0	311.315	0.410	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000907014070	663660254	/nfs/dbraw/zinc/66/02/54/663660254.db2.gz	AMFXOLVJXRCBAS-CYBMUJFWSA-N	-1	0	323.370	0.727	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)NCCCN1CCOCC1)C(=O)[O-]	ZINC000908737510	663767617	/nfs/dbraw/zinc/76/76/17/663767617.db2.gz	LQFJYSRUGDXNBA-CYBMUJFWSA-N	-1	0	313.398	0.817	20	30		DCEDRM
C#CCSCCNC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000909051972	663779921	/nfs/dbraw/zinc/77/99/21/663779921.db2.gz	JTGITXXTYYLPPS-WDEREUQCSA-N	-1	0	300.380	0.532	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@@H](c2nccn2C)C1	ZINC000909229331	663788207	/nfs/dbraw/zinc/78/82/07/663788207.db2.gz	OGYCMTJBBFMMQU-NWDGAFQWSA-N	-1	0	322.365	0.922	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)C(=O)[O-]	ZINC000909765574	663799938	/nfs/dbraw/zinc/79/99/38/663799938.db2.gz	BRDXXEAVTZKTQU-ZETCQYMHSA-N	-1	0	321.255	0.825	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnc(COC)s1)C(=O)[O-]	ZINC000909770949	663800493	/nfs/dbraw/zinc/80/04/93/663800493.db2.gz	JNQXTZHLKZTHPT-QMMMGPOBSA-N	-1	0	300.336	0.675	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-]	ZINC000910052316	663837348	/nfs/dbraw/zinc/83/73/48/663837348.db2.gz	TZWLNAYVBFUPKM-HUUCEWRRSA-N	-1	0	316.357	0.480	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(=O)NCCCc1ccccc1)C(=O)[O-]	ZINC000910054915	663837723	/nfs/dbraw/zinc/83/77/23/663837723.db2.gz	UPKWVPSFUDIRNA-CYBMUJFWSA-N	-1	0	302.330	0.328	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-]	ZINC000910050945	663841151	/nfs/dbraw/zinc/84/11/51/663841151.db2.gz	BFCFABZWUWWEET-DGCLKSJQSA-N	-1	0	300.314	0.632	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])nn1	ZINC000910435389	663882987	/nfs/dbraw/zinc/88/29/87/663882987.db2.gz	PZXGQYAQCMPBKX-VIFPVBQESA-N	-1	0	300.265	0.789	20	30		DCEDRM
CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000753945604	664769278	/nfs/dbraw/zinc/76/92/78/664769278.db2.gz	RQXYIRGJZPYUBG-UHFFFAOYSA-N	-1	0	315.395	0.433	20	30		DCEDRM
CC(=O)N(C)CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000914921647	664840635	/nfs/dbraw/zinc/84/06/35/664840635.db2.gz	BNYNIEAWJJRRKA-JTQLQIEISA-N	-1	0	309.347	0.649	20	30		DCEDRM
C[C@@H]1[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CCCN1CC#N	ZINC000993950257	665021700	/nfs/dbraw/zinc/02/17/00/665021700.db2.gz	LWUCOBQYUNKBNO-PWSUYJOCSA-N	-1	0	314.349	0.129	20	30		DCEDRM
CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000916775848	665093393	/nfs/dbraw/zinc/09/33/93/665093393.db2.gz	INNVRWHCBADEMS-SNVBAGLBSA-N	-1	0	323.374	0.419	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)C(=O)N(C)C2=O	ZINC000916917452	665100925	/nfs/dbraw/zinc/10/09/25/665100925.db2.gz	KRJIAZKFCMPXQH-GFCCVEGCSA-N	-1	0	311.297	0.537	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1csc(COC)n1	ZINC000920839058	665283236	/nfs/dbraw/zinc/28/32/36/665283236.db2.gz	YBLVYZNZGITEBC-VIFPVBQESA-N	-1	0	311.363	0.765	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001001450276	666059424	/nfs/dbraw/zinc/05/94/24/666059424.db2.gz	DMHRBHHDWGSFAX-UHFFFAOYSA-N	-1	0	306.366	0.824	20	30		DCEDRM
C[C@H](NC(=O)c1cn[nH]n1)[C@H]1CCCN(C(=O)C#CC2CC2)C1	ZINC000945627539	666633613	/nfs/dbraw/zinc/63/36/13/666633613.db2.gz	MIOXXENHMBDKLR-AAEUAGOBSA-N	-1	0	315.377	0.575	20	30		DCEDRM
C[C@H](NC(=O)c1cn[nH]n1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1	ZINC000945627541	666633644	/nfs/dbraw/zinc/63/36/44/666633644.db2.gz	MIOXXENHMBDKLR-WCQYABFASA-N	-1	0	315.377	0.575	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000861144129	666902169	/nfs/dbraw/zinc/90/21/69/666902169.db2.gz	OFVQTEAGYZAVDM-MNOVXSKESA-N	-1	0	305.396	0.981	20	30		DCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)CCOC1	ZINC000755580223	666897917	/nfs/dbraw/zinc/89/79/17/666897917.db2.gz	ADDMUYKEVNGLHM-CQSZACIVSA-N	-1	0	308.359	0.931	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1	ZINC000861159802	666906373	/nfs/dbraw/zinc/90/63/73/666906373.db2.gz	VPTPQZBFJVLHSA-UHFFFAOYSA-N	-1	0	303.290	0.754	20	30		DCEDRM
C[C@@H](C(=O)N(CC#N)CC(=O)[O-])N1CCc2ccccc2C1	ZINC000736199659	667117048	/nfs/dbraw/zinc/11/70/48/667117048.db2.gz	LCWKRAQFNFHTAM-LBPRGKRZSA-N	-1	0	301.346	0.870	20	30		DCEDRM
CC(C)(C)NC(=S)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863209024	667117790	/nfs/dbraw/zinc/11/77/90/667117790.db2.gz	CRDZQFZJLYBOJB-UHFFFAOYSA-N	-1	0	307.379	0.350	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1c2c(nn1C)CCCC2	ZINC000864439496	667254618	/nfs/dbraw/zinc/25/46/18/667254618.db2.gz	VWYNTRFNQPZCMQ-UHFFFAOYSA-N	-1	0	311.363	0.007	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(-n2cccn2)n1	ZINC000737317598	667593952	/nfs/dbraw/zinc/59/39/52/667593952.db2.gz	ZMVICYWBFNMIQI-NSHDSACASA-N	-1	0	313.317	0.352	20	30		DCEDRM
C=CC[C@H](C(=O)[N-]S(=O)(=O)CC(=O)OC)c1ccccc1	ZINC000838800339	667707495	/nfs/dbraw/zinc/70/74/95/667707495.db2.gz	YPBXLBDOONOXKT-LBPRGKRZSA-N	-1	0	311.359	0.965	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)CC(=O)OCC	ZINC000838846465	667712802	/nfs/dbraw/zinc/71/28/02/667712802.db2.gz	UPZCQZVCLDZFRN-UHFFFAOYSA-N	-1	0	309.343	0.220	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)C(=O)OC	ZINC000841539724	667730646	/nfs/dbraw/zinc/73/06/46/667730646.db2.gz	FOKVTPFJBACXFZ-GFCCVEGCSA-N	-1	0	317.313	0.949	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)n1ccc(C(F)(F)F)n1	ZINC000870332716	667731459	/nfs/dbraw/zinc/73/14/59/667731459.db2.gz	ZIJZZBALDUTOMS-MRVPVSSYSA-N	-1	0	323.296	0.932	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@]1(CC(C)C)CCNC1=O	ZINC000870330902	667731552	/nfs/dbraw/zinc/73/15/52/667731552.db2.gz	XDDMPUUGAFKINU-ZDUSSCGKSA-N	-1	0	300.380	0.008	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCC(=O)NC(C)C)CC1	ZINC000870832854	667764982	/nfs/dbraw/zinc/76/49/82/667764982.db2.gz	SHFPFKCKHSQFLY-UHFFFAOYSA-N	-1	0	302.396	0.846	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3ncncc3C2)CC1	ZINC000870838904	667765515	/nfs/dbraw/zinc/76/55/15/667765515.db2.gz	QMUIFGQWKLWGFE-SNVBAGLBSA-N	-1	0	307.375	0.746	20	30		DCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2ccc([N+](=O)[O-])c([O-])c2)c1=O	ZINC000123432474	667781955	/nfs/dbraw/zinc/78/19/55/667781955.db2.gz	SAAWVGADRCGOIY-HWKANZROSA-N	-1	0	317.257	0.584	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000887052020	667841860	/nfs/dbraw/zinc/84/18/60/667841860.db2.gz	HRRFAKQFLSVINC-GFCCVEGCSA-N	-1	0	324.377	0.239	20	30		DCEDRM
C#C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)[C@H]1CCCO1	ZINC000872477352	667901345	/nfs/dbraw/zinc/90/13/45/667901345.db2.gz	HBBVGAMCOSDCFS-ZDCWMAILSA-N	-1	0	322.452	0.898	20	30		DCEDRM
CS(=O)(=O)N1CCC(C(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000748003243	667916294	/nfs/dbraw/zinc/91/62/94/667916294.db2.gz	AZVMWMLZWXYTFP-UHFFFAOYSA-N	-1	0	323.374	0.874	20	30		DCEDRM
N#CCN1CCC(NC(=O)C(=O)[N-]OC2CCCCC2)CC1	ZINC000805057442	668042227	/nfs/dbraw/zinc/04/22/27/668042227.db2.gz	HZHNLEHJCTXGMS-UHFFFAOYSA-N	-1	0	308.382	0.471	20	30		DCEDRM
Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc21	ZINC000755809140	668066689	/nfs/dbraw/zinc/06/66/89/668066689.db2.gz	JEBPQADPNUVTPV-UHFFFAOYSA-N	-1	0	321.362	0.578	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cn2ncc3cccnc32)CC1	ZINC000873552782	668092196	/nfs/dbraw/zinc/09/21/96/668092196.db2.gz	DZVOPSGHRXSWAH-UHFFFAOYSA-N	-1	0	306.347	0.596	20	30		DCEDRM
COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000758502310	668180274	/nfs/dbraw/zinc/18/02/74/668180274.db2.gz	AQMFUCXOELOHEG-SNVBAGLBSA-N	-1	0	324.358	0.703	20	30		DCEDRM
C=CCONC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1	ZINC000874403218	668181112	/nfs/dbraw/zinc/18/11/12/668181112.db2.gz	QIKYXBDOWDTMJW-WDEREUQCSA-N	-1	0	308.338	0.737	20	30		DCEDRM
COCC(=O)N[C@H](C(=O)Nc1cc(C#N)ccc1[O-])C(C)C	ZINC000759714077	668233268	/nfs/dbraw/zinc/23/32/68/668233268.db2.gz	UGNGDAWJWYPQFG-AWEZNQCLSA-N	-1	0	305.334	0.990	20	30		DCEDRM
C#C[C@H](CC)NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000926537861	668411328	/nfs/dbraw/zinc/41/13/28/668411328.db2.gz	QIXBLYJHKMIUTN-SECBINFHSA-N	-1	0	315.322	0.979	20	30		DCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(F)c1C#N	ZINC000764189534	668437388	/nfs/dbraw/zinc/43/73/88/668437388.db2.gz	WOOBMTUDLQRQSR-QMMMGPOBSA-N	-1	0	300.311	0.792	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000766986980	668555796	/nfs/dbraw/zinc/55/57/96/668555796.db2.gz	OBGGDXDUBACMLD-UHFFFAOYSA-N	-1	0	324.358	0.964	20	30		DCEDRM
O=C([O-])Cn1cc(C=NNC(=S)Nc2ccccc2)nn1	ZINC000768476301	668611390	/nfs/dbraw/zinc/61/13/90/668611390.db2.gz	LXWBIPNOUUDHKW-UHFFFAOYSA-N	-1	0	304.335	0.683	20	30		DCEDRM
COc1nc(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc(=O)[n-]1	ZINC000770519859	668698485	/nfs/dbraw/zinc/69/84/85/668698485.db2.gz	UCOQEFDJOAWQNT-QMMMGPOBSA-N	-1	0	308.294	0.108	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCO1	ZINC000771055850	668728986	/nfs/dbraw/zinc/72/89/86/668728986.db2.gz	HGGZLSANNGWMPD-GHMZBOCLSA-N	-1	0	300.380	0.941	20	30		DCEDRM
CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771076251	668729998	/nfs/dbraw/zinc/72/99/98/668729998.db2.gz	GBUIEWHPFSIQDF-VIFPVBQESA-N	-1	0	301.368	0.041	20	30		DCEDRM
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000771524999	668742198	/nfs/dbraw/zinc/74/21/98/668742198.db2.gz	MKHACTBPXCXNEO-UWVGGRQHSA-N	-1	0	324.358	0.815	20	30		DCEDRM
C#CCOc1ccc(-n2c([O-])c(C(=O)OCC)[nH]c2=O)cc1	ZINC000771994955	668760997	/nfs/dbraw/zinc/76/09/97/668760997.db2.gz	AXGADRZIMPFUBX-LBPRGKRZSA-N	-1	0	302.286	0.687	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1cc(F)cc2c1OCOC2	ZINC000772717794	668782325	/nfs/dbraw/zinc/78/23/25/668782325.db2.gz	IDGHXZGLIPOGMD-UHFFFAOYSA-N	-1	0	315.322	0.867	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)Sc1nnnn1C1CC1	ZINC000772720835	668782639	/nfs/dbraw/zinc/78/26/39/668782639.db2.gz	WTUQVMFCDFFZKP-ZETCQYMHSA-N	-1	0	317.396	0.121	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)nn1C	ZINC000773951121	668817565	/nfs/dbraw/zinc/81/75/65/668817565.db2.gz	LBKHNGZQUONNRU-UHFFFAOYSA-N	-1	0	320.330	0.419	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)COc1ccc(F)cc1	ZINC000776119507	668871198	/nfs/dbraw/zinc/87/11/98/668871198.db2.gz	QFBMUERNTCCQKP-UHFFFAOYSA-N	-1	0	300.311	0.954	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2C(=O)O1	ZINC000776122933	668871429	/nfs/dbraw/zinc/87/14/29/668871429.db2.gz	HKCJFCQHLABBES-GFCCVEGCSA-N	-1	0	322.342	0.518	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cs1	ZINC000776142583	668871560	/nfs/dbraw/zinc/87/15/60/668871560.db2.gz	GUARUIMMGAIIEE-UHFFFAOYSA-N	-1	0	315.376	0.456	20	30		DCEDRM
CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1	ZINC000776139560	668871599	/nfs/dbraw/zinc/87/15/99/668871599.db2.gz	XUIICHGVCRLSHZ-JTQLQIEISA-N	-1	0	315.395	0.241	20	30		DCEDRM
CCNC(=O)CCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776137900	668871653	/nfs/dbraw/zinc/87/16/53/668871653.db2.gz	VILHASIBDZKCFD-UHFFFAOYSA-N	-1	0	303.384	0.289	20	30		DCEDRM
Cc1nc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cs1	ZINC000776139788	668871727	/nfs/dbraw/zinc/87/17/27/668871727.db2.gz	VPIQDBWZAWJXAN-UHFFFAOYSA-N	-1	0	301.393	0.990	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000776144101	668871869	/nfs/dbraw/zinc/87/18/69/668871869.db2.gz	XGLUFMOEWUWJIY-UHFFFAOYSA-N	-1	0	321.358	0.933	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-]	ZINC000776589813	668878856	/nfs/dbraw/zinc/87/88/56/668878856.db2.gz	XXBQLGCEYMUHIU-ZETCQYMHSA-N	-1	0	305.743	0.218	20	30		DCEDRM
N#CCCCCS(=O)(=O)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC000776601303	668879197	/nfs/dbraw/zinc/87/91/97/668879197.db2.gz	PDCJIELXTCPHNN-GFCCVEGCSA-N	-1	0	318.395	0.870	20	30		DCEDRM
CC(=NNC(=S)NCC(N)=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000776770071	668880880	/nfs/dbraw/zinc/88/08/80/668880880.db2.gz	MMJUPYFRXUTQRH-UHFFFAOYSA-N	-1	0	312.326	0.197	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)ncn2C	ZINC000777302520	668886275	/nfs/dbraw/zinc/88/62/75/668886275.db2.gz	ODOIJEXTBPHXJX-LLVKDONJSA-N	-1	0	300.318	0.658	20	30		DCEDRM
COCCCNC(=S)NN=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000777424297	668887181	/nfs/dbraw/zinc/88/71/81/668887181.db2.gz	OZNYNEKPZQKWII-UHFFFAOYSA-N	-1	0	311.363	0.925	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000778697457	668902983	/nfs/dbraw/zinc/90/29/83/668902983.db2.gz	UGOYHQHVENKYHE-SECBINFHSA-N	-1	0	312.322	0.793	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCn2cccn2)CCCC1	ZINC000779317975	668909518	/nfs/dbraw/zinc/90/95/18/668909518.db2.gz	MOPHFQGXTBNQBI-UHFFFAOYSA-N	-1	0	310.379	0.803	20	30		DCEDRM
COc1ncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cn1	ZINC000779318961	668909879	/nfs/dbraw/zinc/90/98/79/668909879.db2.gz	YHRMBILQMGEUIB-UHFFFAOYSA-N	-1	0	324.362	0.629	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(-c2ncn(C)n2)cc1	ZINC000780464499	668987936	/nfs/dbraw/zinc/98/79/36/668987936.db2.gz	MQKKXGAOSSYESO-UHFFFAOYSA-N	-1	0	306.347	0.728	20	30		DCEDRM
N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)c1	ZINC000780609609	668999774	/nfs/dbraw/zinc/99/97/74/668999774.db2.gz	IGAQGSQQAWKDMK-CYBMUJFWSA-N	-1	0	324.358	0.562	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)NC2(c3nnn[n-]3)CCCC2)cc1	ZINC000780944496	669021980	/nfs/dbraw/zinc/02/19/80/669021980.db2.gz	BMCKQUBINJPOQP-LBPRGKRZSA-N	-1	0	312.333	0.690	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)N(C)CCOC	ZINC000783105085	669143100	/nfs/dbraw/zinc/14/31/00/669143100.db2.gz	HKZUBPJHMGCWJL-LBPRGKRZSA-N	-1	0	308.400	0.154	20	30		DCEDRM
C[C@@H]1OCC[C@H]1C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000784494073	669207464	/nfs/dbraw/zinc/20/74/64/669207464.db2.gz	MEODCQFZKIWUCF-GZMMTYOYSA-N	-1	0	302.290	0.775	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)CO1	ZINC000784482720	669207472	/nfs/dbraw/zinc/20/74/72/669207472.db2.gz	UCCPVOMUAPMCCC-ZWNOBZJWSA-N	-1	0	308.359	0.929	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)c1	ZINC000787206655	669356798	/nfs/dbraw/zinc/35/67/98/669356798.db2.gz	TXZVILKYAVZSFH-STQMWFEESA-N	-1	0	316.313	0.355	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)C2CC(C(=O)[O-])C2)c1	ZINC000788720739	669456451	/nfs/dbraw/zinc/45/64/51/669456451.db2.gz	SSGZXWXKKWIGDG-UHFFFAOYSA-N	-1	0	300.314	0.833	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnn1CC(F)F	ZINC000789403870	669490733	/nfs/dbraw/zinc/49/07/33/669490733.db2.gz	OOJZQGTXOCSUKS-QMMMGPOBSA-N	-1	0	300.265	0.233	20	30		DCEDRM
C#CC[C@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1	ZINC000882339982	669503920	/nfs/dbraw/zinc/50/39/20/669503920.db2.gz	MNUZAOQJDHZKMS-NSPYISDASA-N	-1	0	316.404	0.362	20	30		DCEDRM
C#CC[C@@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1	ZINC000882340064	669504151	/nfs/dbraw/zinc/50/41/51/669504151.db2.gz	MIJHMVYYEUFQCW-WLRWDXFRSA-N	-1	0	322.452	0.636	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1	ZINC000791111476	669594160	/nfs/dbraw/zinc/59/41/60/669594160.db2.gz	SQPBFRKILSDZKM-LLVKDONJSA-N	-1	0	312.391	0.247	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1nccs1	ZINC000791110729	669594168	/nfs/dbraw/zinc/59/41/68/669594168.db2.gz	WQCRMEPVRVBNSQ-JTQLQIEISA-N	-1	0	313.404	0.581	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(CC(F)(F)F)c1	ZINC000810777648	669669950	/nfs/dbraw/zinc/66/99/50/669669950.db2.gz	LEDAZFBKRZABIM-UHFFFAOYSA-N	-1	0	309.269	0.528	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CNC(=O)c2ccccc2)CC1	ZINC000793193814	669706837	/nfs/dbraw/zinc/70/68/37/669706837.db2.gz	DCMPUOYLIIYIRV-UHFFFAOYSA-N	-1	0	321.358	0.166	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)o1	ZINC000797125774	669956006	/nfs/dbraw/zinc/95/60/06/669956006.db2.gz	CDFZIFAFGPPYSM-UHFFFAOYSA-N	-1	0	306.303	0.413	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000798035999	669984542	/nfs/dbraw/zinc/98/45/42/669984542.db2.gz	CZQAWJDWZTUPHK-GWCFXTLKSA-N	-1	0	317.349	0.169	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)CSc1n[n-]c(=S)s1	ZINC000799083376	670038362	/nfs/dbraw/zinc/03/83/62/670038362.db2.gz	BOWMBFHUGNSSIW-SSDOTTSWSA-N	-1	0	303.434	0.809	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000799104327	670040730	/nfs/dbraw/zinc/04/07/30/670040730.db2.gz	ZLFCCXOZWSICEX-JTQLQIEISA-N	-1	0	319.386	0.738	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000802206338	670157813	/nfs/dbraw/zinc/15/78/13/670157813.db2.gz	HAXXPDZUHXEJIA-SNVBAGLBSA-N	-1	0	313.379	0.615	20	30		DCEDRM
CC[S@](=O)CC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000803473448	670249775	/nfs/dbraw/zinc/24/97/75/670249775.db2.gz	SCXQYKZWHVSTGE-NRFANRHFSA-N	-1	0	308.319	0.118	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2)n1	ZINC000193421868	670282312	/nfs/dbraw/zinc/28/23/12/670282312.db2.gz	AMTHZEMHXJSQAO-GFCCVEGCSA-N	-1	0	313.317	0.352	20	30		DCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCOCC1	ZINC000810656764	670492614	/nfs/dbraw/zinc/49/26/14/670492614.db2.gz	LZWKAAZEIWHDON-UHFFFAOYSA-N	-1	0	318.395	0.425	20	30		DCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)n1	ZINC000810705085	670494634	/nfs/dbraw/zinc/49/46/34/670494634.db2.gz	QOVPUXQDCCIDRS-UHFFFAOYSA-N	-1	0	317.330	0.215	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COCCOc1ccccc1	ZINC000810770786	670496597	/nfs/dbraw/zinc/49/65/97/670496597.db2.gz	BCCWMYLMOLJRDH-UHFFFAOYSA-N	-1	0	311.359	0.551	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1c(CC)nn(C)c1CC	ZINC000810773316	670496605	/nfs/dbraw/zinc/49/66/05/670496605.db2.gz	ZAMLWMGJSWHVMU-UHFFFAOYSA-N	-1	0	311.407	0.557	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C)nn2c1nc(C)cc2C	ZINC000810773245	670496619	/nfs/dbraw/zinc/49/66/19/670496619.db2.gz	WOTPKQPZXLFFEU-UHFFFAOYSA-N	-1	0	320.374	0.737	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCCN1C(=O)CC	ZINC000810775769	670497153	/nfs/dbraw/zinc/49/71/53/670497153.db2.gz	SYWGYADLZFFBPO-LLVKDONJSA-N	-1	0	300.380	0.247	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnc(N2CCCCC2)n1	ZINC000810778012	670497178	/nfs/dbraw/zinc/49/71/78/670497178.db2.gz	LMVGOKQIYBGYNR-UHFFFAOYSA-N	-1	0	322.390	0.550	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(CC(F)(F)F)nc1C	ZINC000810778843	670497508	/nfs/dbraw/zinc/49/75/08/670497508.db2.gz	OYXJATRSGVDWOS-UHFFFAOYSA-N	-1	0	323.296	0.837	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CN1CCc2ccccc2C1=O	ZINC000810779764	670497562	/nfs/dbraw/zinc/49/75/62/670497562.db2.gz	AEGVMCSFGTWSQJ-UHFFFAOYSA-N	-1	0	320.370	0.154	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1	ZINC000810782902	670497776	/nfs/dbraw/zinc/49/77/76/670497776.db2.gz	WMBIPMJCTSWECD-GHMZBOCLSA-N	-1	0	301.364	0.435	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CSc1nncn1C(C)C	ZINC000810786316	670497988	/nfs/dbraw/zinc/49/79/88/670497988.db2.gz	CMCPTBOYANWXBX-UHFFFAOYSA-N	-1	0	316.408	0.420	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](OC)c2cnn(C)c2)CC1	ZINC000810988906	670502477	/nfs/dbraw/zinc/50/24/77/670502477.db2.gz	SHNBGLORLDRKFB-LLVKDONJSA-N	-1	0	313.379	0.662	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC(=O)N2)CC1	ZINC000810987403	670502521	/nfs/dbraw/zinc/50/25/21/670502521.db2.gz	KZMRMMGGZIMLRB-SNVBAGLBSA-N	-1	0	300.380	0.600	20	30		DCEDRM
COCC1(S(=O)(=O)[N-]C(=O)COc2ccc(C#N)cc2)CC1	ZINC000811158938	670512556	/nfs/dbraw/zinc/51/25/56/670512556.db2.gz	BUWUQNPQFIDRSN-UHFFFAOYSA-N	-1	0	324.358	0.562	20	30		DCEDRM
C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(C)(C)C	ZINC000854480240	670575824	/nfs/dbraw/zinc/57/58/24/670575824.db2.gz	ULIQWUOSYFXXIG-LBPRGKRZSA-N	-1	0	310.375	0.817	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(n1)OCCO2	ZINC000847664366	670587849	/nfs/dbraw/zinc/58/78/49/670587849.db2.gz	CYAYKLXQUXOAEN-SECBINFHSA-N	-1	0	312.285	0.792	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O	ZINC000812786941	670596540	/nfs/dbraw/zinc/59/65/40/670596540.db2.gz	VBALDGLWPGHJET-UHFFFAOYSA-N	-1	0	311.297	0.305	20	30		DCEDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCC#N)cc1	ZINC000813079934	670610163	/nfs/dbraw/zinc/61/01/63/670610163.db2.gz	BWJBOGQMSBXWKZ-UHFFFAOYSA-N	-1	0	309.347	0.545	20	30		DCEDRM
O=C(CSc1n[n-]c(=S)s1)N[C@H]1CCCN(O)C1=O	ZINC000848136963	670641343	/nfs/dbraw/zinc/64/13/43/670641343.db2.gz	VEOMDAYJWDRDPE-YFKPBYRVSA-N	-1	0	320.421	0.415	20	30		DCEDRM
CON1CCN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)CC1	ZINC000854862138	670644945	/nfs/dbraw/zinc/64/49/45/670644945.db2.gz	PTFCZPFGKNSANC-UHFFFAOYSA-N	-1	0	308.363	0.700	20	30		DCEDRM
Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981729	670667540	/nfs/dbraw/zinc/66/75/40/670667540.db2.gz	ILBQRLFBOMOHQM-UHFFFAOYSA-N	-1	0	320.330	0.606	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC000855008154	670669061	/nfs/dbraw/zinc/66/90/61/670669061.db2.gz	YUFUWCAXKYTYLW-LLVKDONJSA-N	-1	0	322.386	0.915	20	30		DCEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNC(=S)NCC(N)=O	ZINC000814844607	670704662	/nfs/dbraw/zinc/70/46/62/670704662.db2.gz	MMYGUPQKHLGELH-UHFFFAOYSA-N	-1	0	308.363	0.285	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000814842480	670704745	/nfs/dbraw/zinc/70/47/45/670704745.db2.gz	ACTAEPBFWUSIOV-NKWVEPMBSA-N	-1	0	304.310	0.721	20	30		DCEDRM
CCc1ccc(C#CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1	ZINC000815519614	670746200	/nfs/dbraw/zinc/74/62/00/670746200.db2.gz	CLISXXAZNKMGKC-CQSZACIVSA-N	-1	0	311.345	0.714	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2	ZINC000849219412	670766014	/nfs/dbraw/zinc/76/60/14/670766014.db2.gz	UEWRQNLAAICADQ-JTQLQIEISA-N	-1	0	309.343	0.719	20	30		DCEDRM
O=C([O-])Cn1cc(C(=O)/C=C/c2ccnn2CC2CC2)nn1	ZINC000849249600	670769128	/nfs/dbraw/zinc/76/91/28/670769128.db2.gz	JOYSVGKNRGPBDH-ONEGZZNKSA-N	-1	0	301.306	0.865	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC000815946508	670773815	/nfs/dbraw/zinc/77/38/15/670773815.db2.gz	UJZNBVQWLRUFIC-UHFFFAOYSA-N	-1	0	324.330	0.863	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)[N-]OCCN2CCCC2=O)cc1	ZINC000856043350	670781222	/nfs/dbraw/zinc/78/12/22/670781222.db2.gz	VBBSLMIWIVTAMM-AWEZNQCLSA-N	-1	0	303.318	0.262	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)cc1	ZINC000850735002	670937177	/nfs/dbraw/zinc/93/71/77/670937177.db2.gz	LPSJIAKYJJHSMH-ITGUQSILSA-N	-1	0	306.343	0.397	20	30		DCEDRM
C#CCCCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000850787520	670940068	/nfs/dbraw/zinc/94/00/68/670940068.db2.gz	PWHAVZARLZTCGF-UHFFFAOYSA-N	-1	0	306.322	0.171	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000817891835	670951353	/nfs/dbraw/zinc/95/13/53/670951353.db2.gz	OGLVXONHEFIGII-QWRGUYRKSA-N	-1	0	312.391	0.038	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21	ZINC000850999923	670960378	/nfs/dbraw/zinc/96/03/78/670960378.db2.gz	MSILMOBLNVLWJR-QJPTWQEYSA-N	-1	0	312.391	0.151	20	30		DCEDRM
CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@H](C)CC#N	ZINC000851017357	670961263	/nfs/dbraw/zinc/96/12/63/670961263.db2.gz	DDUPWDIEEHDSIJ-NXEZZACHSA-N	-1	0	304.368	0.714	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F	ZINC000851051865	670964700	/nfs/dbraw/zinc/96/47/00/670964700.db2.gz	RWWJJFAPVUMXJE-ZCFIWIBFSA-N	-1	0	324.284	0.794	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)CC(F)F)ccc1C#N	ZINC000851364129	670981560	/nfs/dbraw/zinc/98/15/60/670981560.db2.gz	PQOPLZYRKHUHIF-UHFFFAOYSA-N	-1	0	304.274	0.892	20	30		DCEDRM
C=CCOCCCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000818315097	671002336	/nfs/dbraw/zinc/00/23/36/671002336.db2.gz	DDROVJSKQNDGGY-LLVKDONJSA-N	-1	0	308.338	0.733	20	30		DCEDRM
C=C(Br)CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000851687618	671014473	/nfs/dbraw/zinc/01/44/73/671014473.db2.gz	WHUGAIRPERINIA-UHFFFAOYSA-N	-1	0	319.155	0.382	20	30		DCEDRM
N#Cc1cn(C2CN(c3ncnc4c3CCC4)C2)c(=O)[n-]c1=O	ZINC000858681475	671030972	/nfs/dbraw/zinc/03/09/72/671030972.db2.gz	ISRHKXNPBMISNA-UHFFFAOYSA-N	-1	0	310.317	0.161	20	30		DCEDRM
C#CC[C@@H](CCOC)NS(=O)(=O)c1ncn(C)c1Cl	ZINC000859425900	671112876	/nfs/dbraw/zinc/11/28/76/671112876.db2.gz	MJAKHONUFWTPSZ-VIFPVBQESA-N	-1	0	305.787	0.780	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC1CCN(c2ncccn2)CC1	ZINC000819833399	671141322	/nfs/dbraw/zinc/14/13/22/671141322.db2.gz	GSBZMSUQBGGFFF-OAHLLOKOSA-N	-1	0	317.349	0.566	20	30		DCEDRM
CCn1nc(C)c(CNS(=O)(=O)c2cnc(C)c(C#N)c2)n1	ZINC000819890628	671143474	/nfs/dbraw/zinc/14/34/74/671143474.db2.gz	JRTZNKCKSMDIPC-UHFFFAOYSA-N	-1	0	320.378	0.660	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc2[nH]cnc2cc1F	ZINC000819943409	671148773	/nfs/dbraw/zinc/14/87/73/671148773.db2.gz	DZUSYTHBZLQFEE-SECBINFHSA-N	-1	0	304.281	0.787	20	30		DCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cc(N2CCOC2=O)ccc1F	ZINC000820148427	671171700	/nfs/dbraw/zinc/17/17/00/671171700.db2.gz	FPSBCBLZSSLURO-NSHDSACASA-N	-1	0	323.280	0.502	20	30		DCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cc(F)c(F)c([O-])c1F	ZINC000820482726	671204970	/nfs/dbraw/zinc/20/49/70/671204970.db2.gz	QQFUVWZLXCBEDL-SSDOTTSWSA-N	-1	0	304.224	0.920	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)nn1	ZINC000820551415	671209998	/nfs/dbraw/zinc/20/99/98/671209998.db2.gz	WPVWDABQPZBENB-JTQLQIEISA-N	-1	0	314.367	0.093	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(Cn2cncn2)c1	ZINC000860474095	671212075	/nfs/dbraw/zinc/21/20/75/671212075.db2.gz	WFEPXOINJKHCPS-AWEZNQCLSA-N	-1	0	309.329	0.927	20	30		DCEDRM
CN1CC(=O)Nc2cc(C([O-])=C(C#N)C(=O)NC3CC3)cnc21	ZINC000860473691	671212172	/nfs/dbraw/zinc/21/21/72/671212172.db2.gz	PXLKPRXEEWJDEO-SNVBAGLBSA-N	-1	0	313.317	0.071	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C\c2cccc(C#N)c2)c(=O)n(C)c1=O	ZINC000821013381	671246213	/nfs/dbraw/zinc/24/62/13/671246213.db2.gz	ZPFUCIDCNFUWGX-SREVYHEPSA-N	-1	0	311.297	0.557	20	30		DCEDRM
C[C@@H](NC(=O)c1cccs1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821584157	671284831	/nfs/dbraw/zinc/28/48/31/671284831.db2.gz	SVGCPFKERQBZNI-MRVPVSSYSA-N	-1	0	315.376	0.226	20	30		DCEDRM
C[C@@H]1Oc2c(cccc2C(=O)[N-]S(=O)(=O)CCC#N)NC1=O	ZINC000821584232	671284869	/nfs/dbraw/zinc/28/48/69/671284869.db2.gz	VZYBKEBSMGJTLV-QMMMGPOBSA-N	-1	0	323.330	0.379	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)COc1nsnc1N1CCOCC1	ZINC000824232210	671424320	/nfs/dbraw/zinc/42/43/20/671424320.db2.gz	GNULPFDLHQVLDK-VIFPVBQESA-N	-1	0	314.367	0.376	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000824290727	671426606	/nfs/dbraw/zinc/42/66/06/671426606.db2.gz	RENDRGWSJFWACG-NSHDSACASA-N	-1	0	300.318	0.082	20	30		DCEDRM
CN(C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N)C1CCCCC1	ZINC000825820408	671472581	/nfs/dbraw/zinc/47/25/81/671472581.db2.gz	DJLGEDWQNMOWFI-UHFFFAOYSA-N	-1	0	314.353	0.726	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)Nc1cccc(C#N)c1	ZINC000826386998	671487047	/nfs/dbraw/zinc/48/70/47/671487047.db2.gz	BJPXVBVKLKVUQU-UHFFFAOYSA-N	-1	0	319.288	0.445	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC(=O)[N-]OCCC2CC2)cc1	ZINC000832845035	671745300	/nfs/dbraw/zinc/74/53/00/671745300.db2.gz	BGRZCTQRZFKSFH-UHFFFAOYSA-N	-1	0	323.374	0.684	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1	ZINC000835036845	671786937	/nfs/dbraw/zinc/78/69/37/671786937.db2.gz	RHUDOVSLKRBOBL-LLVKDONJSA-N	-1	0	309.343	0.732	20	30		DCEDRM
COC[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CCOC1	ZINC000835039225	671786994	/nfs/dbraw/zinc/78/69/94/671786994.db2.gz	YIOXROHBQZNSCX-AWEZNQCLSA-N	-1	0	324.358	0.416	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000835165249	671790038	/nfs/dbraw/zinc/79/00/38/671790038.db2.gz	OMEIUOSJRLYAIY-LLVKDONJSA-N	-1	0	306.343	0.710	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)n2C)cn1	ZINC000835206090	671790853	/nfs/dbraw/zinc/79/08/53/671790853.db2.gz	UTUOXKLIPMPNFG-UHFFFAOYSA-N	-1	0	307.335	0.232	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(OC)nc1	ZINC000835348812	671794124	/nfs/dbraw/zinc/79/41/24/671794124.db2.gz	CFPWOUFYMLNBFF-MNOVXSKESA-N	-1	0	312.347	0.486	20	30		DCEDRM
Cn1cc(Br)cc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835408503	671795530	/nfs/dbraw/zinc/79/55/30/671795530.db2.gz	IWIFAMGRLOVVOT-UHFFFAOYSA-N	-1	0	320.168	0.761	20	30		DCEDRM
COc1ccc2c(c1)OC[C@H](C(=O)[N-]S(=O)(=O)CCC#N)C2	ZINC000835413015	671795791	/nfs/dbraw/zinc/79/57/91/671795791.db2.gz	YANSANYWBBGPDZ-LLVKDONJSA-N	-1	0	324.358	0.606	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCN1c1ncccn1)C(=O)[O-]	ZINC000836751082	671831022	/nfs/dbraw/zinc/83/10/22/671831022.db2.gz	OIDLIPQNCPIHSE-NEPJUHHUSA-N	-1	0	320.349	0.217	20	30		DCEDRM
C#CCCCS(=O)(=O)[N-]c1nnc(C(=O)OCC)s1	ZINC000840949487	671907909	/nfs/dbraw/zinc/90/79/09/671907909.db2.gz	YHZXCIFITZPHNW-UHFFFAOYSA-N	-1	0	303.365	0.870	20	30		DCEDRM
CC(=O)OCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000841552997	671943130	/nfs/dbraw/zinc/94/31/30/671943130.db2.gz	FAIMDLGFSPSUDK-UHFFFAOYSA-N	-1	0	304.274	0.678	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C(=O)OC(C)(C)C	ZINC000842328440	672005709	/nfs/dbraw/zinc/00/57/09/672005709.db2.gz	FFLSQWMSHFLIAU-SECBINFHSA-N	-1	0	318.395	0.960	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(CCC)C2)CC1	ZINC000842362726	672009052	/nfs/dbraw/zinc/00/90/52/672009052.db2.gz	WXRHRQWWVFJCDD-LLVKDONJSA-N	-1	0	314.407	0.800	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1cccc(F)c1F	ZINC000842873081	672044103	/nfs/dbraw/zinc/04/41/03/672044103.db2.gz	JVQZSTDENVKLAA-UHFFFAOYSA-N	-1	0	317.313	0.951	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000843256505	672074938	/nfs/dbraw/zinc/07/49/38/672074938.db2.gz	GMRWTNISHMKLJT-MNOVXSKESA-N	-1	0	312.391	0.038	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000843256504	672075133	/nfs/dbraw/zinc/07/51/33/672075133.db2.gz	GMRWTNISHMKLJT-GHMZBOCLSA-N	-1	0	312.391	0.038	20	30		DCEDRM
C#C[C@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F	ZINC000867342814	672141889	/nfs/dbraw/zinc/14/18/89/672141889.db2.gz	DNMZEWNIWWLVKS-AYLIAGHASA-N	-1	0	320.367	0.111	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)Nc1ccc(F)cc1OCC#N	ZINC000844564578	672187659	/nfs/dbraw/zinc/18/76/59/672187659.db2.gz	ZYOMBKMIZDTVFV-UHFFFAOYSA-N	-1	0	310.285	0.917	20	30		DCEDRM
CC[C@H](C)C[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000844790182	672202780	/nfs/dbraw/zinc/20/27/80/672202780.db2.gz	WTKIBKVTEVBJBG-DCAQKATOSA-N	-1	0	305.400	0.944	20	30		DCEDRM
CCn1nccc1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844814030	672204466	/nfs/dbraw/zinc/20/44/66/672204466.db2.gz	DDDHKRSLOLKDAC-UHFFFAOYSA-N	-1	0	311.363	0.392	20	30		DCEDRM
COCC1(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)CC1	ZINC000844816888	672204590	/nfs/dbraw/zinc/20/45/90/672204590.db2.gz	QVPBLTNDEUJIAI-UHFFFAOYSA-N	-1	0	301.364	0.295	20	30		DCEDRM
C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844814760	672204739	/nfs/dbraw/zinc/20/47/39/672204739.db2.gz	KCQHYRPHBWDXKQ-PWSUYJOCSA-N	-1	0	301.364	0.294	20	30		DCEDRM
CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000845437051	672248110	/nfs/dbraw/zinc/24/81/10/672248110.db2.gz	DWTMKMANIBUUNJ-UHFFFAOYSA-N	-1	0	323.374	0.525	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc2c1OCCCO2	ZINC000845543519	672258526	/nfs/dbraw/zinc/25/85/26/672258526.db2.gz	BFXRVFAIPIGYDT-UHFFFAOYSA-N	-1	0	309.343	0.931	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccccc1C(=O)N(C)C	ZINC000846151025	672297326	/nfs/dbraw/zinc/29/73/26/672297326.db2.gz	SQHIYBVOPPDUMD-UHFFFAOYSA-N	-1	0	305.334	0.951	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(C(=O)NC)c1C	ZINC000846151163	672297372	/nfs/dbraw/zinc/29/73/72/672297372.db2.gz	XHJSYEDBTOPMDF-UHFFFAOYSA-N	-1	0	305.334	0.917	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(OCC(=O)OC)c1	ZINC000846148975	672297512	/nfs/dbraw/zinc/29/75/12/672297512.db2.gz	DNVZVESPAQZQLS-UHFFFAOYSA-N	-1	0	322.317	0.801	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnc2c(c1)c(C)nn2C	ZINC000846151861	672297784	/nfs/dbraw/zinc/29/77/84/672297784.db2.gz	IQHISPRXJQPHNF-MRVPVSSYSA-N	-1	0	303.322	0.838	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F	ZINC000846156337	672298297	/nfs/dbraw/zinc/29/82/97/672298297.db2.gz	LBWKMYHVQSBFRJ-IONNQARKSA-N	-1	0	320.271	0.762	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000846547296	672326840	/nfs/dbraw/zinc/32/68/40/672326840.db2.gz	JMVJTUOCRZPOAX-WDEREUQCSA-N	-1	0	323.374	0.847	20	30		DCEDRM
COc1ccccc1OCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793196744	685343851	/nfs/dbraw/zinc/34/38/51/685343851.db2.gz	ZEGSVEFBZHMBDK-UHFFFAOYSA-N	-1	0	324.358	0.824	20	30		DCEDRM
CC(=O)[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)C1(C)C	ZINC000793197206	685344016	/nfs/dbraw/zinc/34/40/16/685344016.db2.gz	PSOHNRFDRCDMLF-WDEREUQCSA-N	-1	0	312.391	0.987	20	30		DCEDRM
N#Cc1ccc(Cl)cc1S(=O)(=O)NCCOCC(=O)[O-]	ZINC000093228512	685110552	/nfs/dbraw/zinc/11/05/52/685110552.db2.gz	UZTWJGFJOOSQNX-UHFFFAOYSA-N	-1	0	318.738	0.591	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@@H](NC(C)=O)c1cccs1)C(=O)[O-]	ZINC000149885157	685131649	/nfs/dbraw/zinc/13/16/49/685131649.db2.gz	CMPMPIJLAIYULM-GHMZBOCLSA-N	-1	0	308.359	0.908	20	30		DCEDRM
C=C(Cl)CN1C[C@H](O)[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000957974707	687283851	/nfs/dbraw/zinc/28/38/51/687283851.db2.gz	HURFUCFUTPBTPH-ZJUUUORDSA-N	-1	0	314.773	0.199	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)c1[O-]	ZINC000966400635	689752897	/nfs/dbraw/zinc/75/28/97/689752897.db2.gz	OBOGHRVWOXKBOG-CABZTGNLSA-N	-1	0	316.361	0.414	20	30		DCEDRM
C=C(C)CN1CCO[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21	ZINC001074218832	694842649	/nfs/dbraw/zinc/84/26/49/694842649.db2.gz	GCBJFKBKTQMIHU-OLZOCXBDSA-N	-1	0	320.393	0.915	20	30		DCEDRM
C=CCCC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001744778965	1157376943	/nfs/dbraw/zinc/37/69/43/1157376943.db2.gz	HQKUKKVOXCNNTC-LLVKDONJSA-N	-1	0	306.366	0.968	20	30		DCEDRM
C=CCCC(=O)N1CCC[C@H](N(CCO)Cc2n[nH]c(=O)[n-]2)C1	ZINC001691524643	1158199242	/nfs/dbraw/zinc/19/92/42/1158199242.db2.gz	LGWYOEKPJFMJAF-LBPRGKRZSA-N	-1	0	323.397	0.262	20	30		DCEDRM
C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2nc(=O)n(C)[nH]2)C1	ZINC001567918683	1160533961	/nfs/dbraw/zinc/53/39/61/1160533961.db2.gz	MYHAFLTUQRDZFV-LLVKDONJSA-N	-1	0	307.398	0.353	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N1CCC(O)(c2nnn[n-]2)CC1)OCC	ZINC001568081643	1160574459	/nfs/dbraw/zinc/57/44/59/1160574459.db2.gz	LQPWJOXPUBFQAO-NSHDSACASA-N	-1	0	309.370	0.381	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1	ZINC001569422073	1161056941	/nfs/dbraw/zinc/05/69/41/1161056941.db2.gz	QHHZQTIJDPNUIU-JQWIXIFHSA-N	-1	0	321.381	0.230	20	30		DCEDRM
C=CCn1cccc1C(=O)NCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001573378654	1163420731	/nfs/dbraw/zinc/42/07/31/1163420731.db2.gz	ISYXJUFXPRMDLR-GHMZBOCLSA-N	-1	0	305.334	0.241	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1nc(C(=O)[O-])n[nH]1	ZINC001573590446	1163511710	/nfs/dbraw/zinc/51/17/10/1163511710.db2.gz	QQLWBWHMHJGKLP-QMMMGPOBSA-N	-1	0	315.289	0.458	20	30		DCEDRM
CCn1cc(C#N)c(NC(=O)N2CC[C@H](CO)C2)c1C(=O)[O-]	ZINC001573844266	1163565368	/nfs/dbraw/zinc/56/53/68/1163565368.db2.gz	FFUYUZVCLHCMNW-VIFPVBQESA-N	-1	0	306.322	0.924	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)NCc2nc(C(=O)[O-])n[nH]2)c1	ZINC001573865938	1163573133	/nfs/dbraw/zinc/57/31/33/1163573133.db2.gz	USBUZYSZQRLXDV-UHFFFAOYSA-N	-1	0	314.305	0.371	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCC(C(=O)NCC(=O)[O-])CC2)cs1	ZINC001574241128	1163672219	/nfs/dbraw/zinc/67/22/19/1163672219.db2.gz	IAOQXHQZPQEVGA-UHFFFAOYSA-N	-1	0	321.358	0.673	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NCc2cc(C(=O)[O-])no2)CCN1C1CC1	ZINC001574241784	1163672580	/nfs/dbraw/zinc/67/25/80/1163672580.db2.gz	PXCPZFMOMIWBHP-JTQLQIEISA-N	-1	0	319.321	0.255	20	30		DCEDRM
N#Cc1cc(CNC(=O)CC2(C(=O)[O-])CCOCC2)ccn1	ZINC001574240901	1163672718	/nfs/dbraw/zinc/67/27/18/1163672718.db2.gz	DPIMWTKLZJDVGG-UHFFFAOYSA-N	-1	0	303.318	0.841	20	30		DCEDRM
N#Cc1cccc(CC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)c1	ZINC001574248857	1163673829	/nfs/dbraw/zinc/67/38/29/1163673829.db2.gz	AFNIURFNNIBDKN-QWHCGFSZSA-N	-1	0	303.318	0.188	20	30		DCEDRM
N#Cc1ccsc1NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO	ZINC001574249496	1163674740	/nfs/dbraw/zinc/67/47/40/1163674740.db2.gz	WRWOXPABIITPNO-RKDXNWHRSA-N	-1	0	310.335	0.712	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)c1	ZINC001574249973	1163674755	/nfs/dbraw/zinc/67/47/55/1163674755.db2.gz	PKMNVCDGAJEWGN-KGLIPLIRSA-N	-1	0	311.297	0.870	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001575025870	1163854321	/nfs/dbraw/zinc/85/43/21/1163854321.db2.gz	ABPDFANKYKOCEJ-HNNXBMFYSA-N	-1	0	324.381	0.499	20	30		DCEDRM
CC[C@@H](C[C@@H](C)CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001576704715	1164438799	/nfs/dbraw/zinc/43/87/99/1164438799.db2.gz	HDTVQSUZUYIJTB-BDAKNGLRSA-N	-1	0	302.342	0.737	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N(C)C1(C#N)CCC1	ZINC001580596443	1165650468	/nfs/dbraw/zinc/65/04/68/1165650468.db2.gz	UJHSGGZABPTWHJ-UHFFFAOYSA-N	-1	0	313.321	0.794	20	30		DCEDRM
Cc1cc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)ncc1C#N	ZINC001580979841	1165769450	/nfs/dbraw/zinc/76/94/50/1165769450.db2.gz	WZFCWXHYAGMILV-QMMMGPOBSA-N	-1	0	324.308	0.233	20	30		DCEDRM
Cc1cnc(F)cc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001581320331	1165812949	/nfs/dbraw/zinc/81/29/49/1165812949.db2.gz	IRVWQVAFSWDKIV-UHFFFAOYSA-N	-1	0	313.256	0.556	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1cc(=O)[nH]c(C2CC2)n1	ZINC001581410434	1165822747	/nfs/dbraw/zinc/82/27/47/1165822747.db2.gz	IHDOKUUUSDTOTK-UHFFFAOYSA-N	-1	0	323.320	0.665	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)c1ccns1	ZINC001581410701	1165823271	/nfs/dbraw/zinc/82/32/71/1165823271.db2.gz	SFUVXGRRNORHOH-UHFFFAOYSA-N	-1	0	300.307	0.583	20	30		DCEDRM
Cc1noc([C@@H]2CCCN2c2cnc(C#N)c(-c3nnn[n-]3)n2)n1	ZINC001581633907	1165853963	/nfs/dbraw/zinc/85/39/63/1165853963.db2.gz	NTVCPSZYNKAIKH-VIFPVBQESA-N	-1	0	324.308	0.561	20	30		DCEDRM
Cn1nc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cc1Cl	ZINC001581821879	1165883785	/nfs/dbraw/zinc/88/37/85/1165883785.db2.gz	TUCGVDQQUHPAQQ-UHFFFAOYSA-N	-1	0	318.688	0.101	20	30		DCEDRM
N#CCN1CCC(Nc2ncc(-c3nn[nH]n3)cc2F)CC1	ZINC001581858062	1165889259	/nfs/dbraw/zinc/88/92/59/1165889259.db2.gz	OPTQJGNJTZQIOZ-UHFFFAOYSA-N	-1	0	302.317	0.801	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@]2(C#N)CC23CCCC3)[n-]c1-c1nn[nH]n1	ZINC001581859977	1165891561	/nfs/dbraw/zinc/89/15/61/1165891561.db2.gz	FRCGNFHKBIACJA-CQSZACIVSA-N	-1	0	323.320	0.874	20	30		DCEDRM
N#Cc1nc(NC(=O)C[C@@H]2CCCC[C@H]2O)[n-]c1-c1nn[nH]n1	ZINC001581860372	1165892086	/nfs/dbraw/zinc/89/20/86/1165892086.db2.gz	XLHOGNOKRHVPFQ-IONNQARKSA-N	-1	0	316.325	0.341	20	30		DCEDRM
N#Cc1ccc(CC(=O)Cn2ccc(-c3nnn[n-]3)cc2=O)cc1	ZINC001581869293	1165894054	/nfs/dbraw/zinc/89/40/54/1165894054.db2.gz	QSPKVCWBOUDCHX-UHFFFAOYSA-N	-1	0	320.312	0.712	20	30		DCEDRM
N#Cc1ncc(NCc2cnn3c2CCCC3)nc1-c1nnn[n-]1	ZINC001581883948	1165901532	/nfs/dbraw/zinc/90/15/32/1165901532.db2.gz	DLSDICSMWUZWFL-UHFFFAOYSA-N	-1	0	322.336	0.673	20	30		DCEDRM
N#Cc1ncc(NCC[C@@H](O)C2CCCC2)nc1-c1nnn[n-]1	ZINC001581884147	1165904314	/nfs/dbraw/zinc/90/43/14/1165904314.db2.gz	MTERYNQEUCWNEB-LLVKDONJSA-N	-1	0	314.353	0.881	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001581976213	1165928314	/nfs/dbraw/zinc/92/83/14/1165928314.db2.gz	CCERZIRCUNKPAU-JTQLQIEISA-N	-1	0	306.366	0.967	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@](C)(C#N)CN(C)C)cc1C#N	ZINC001586904811	1166501681	/nfs/dbraw/zinc/50/16/81/1166501681.db2.gz	VXTYAOXBJYMARH-CQSZACIVSA-N	-1	0	319.390	0.954	20	30		DCEDRM
C#CC(C)(C)NC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC001588325777	1166521249	/nfs/dbraw/zinc/52/12/49/1166521249.db2.gz	VMBFCVWRIWMNBQ-UHFFFAOYSA-N	-1	0	318.362	0.831	20	30		DCEDRM
C#Cc1ccc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)cc1	ZINC001588373178	1166549866	/nfs/dbraw/zinc/54/98/66/1166549866.db2.gz	DEAPLBNCTJADFQ-VIFPVBQESA-N	-1	0	308.305	0.639	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(F)c(OC)c(F)c1)C(=O)[O-]	ZINC001588423503	1166553144	/nfs/dbraw/zinc/55/31/44/1166553144.db2.gz	JHBMTOHTRJPGJM-JTQLQIEISA-N	-1	0	319.285	0.728	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(F)c(OC)cc1F)C(=O)[O-]	ZINC001588423506	1166553860	/nfs/dbraw/zinc/55/38/60/1166553860.db2.gz	JHQCRTCTHFECMV-VIFPVBQESA-N	-1	0	319.285	0.728	20	30		DCEDRM
C=CC(C)(C)C(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1	ZINC001588478002	1166557835	/nfs/dbraw/zinc/55/78/35/1166557835.db2.gz	PDNUVSHTLXALMH-UHFFFAOYSA-N	-1	0	316.369	0.421	20	30		DCEDRM
C=CCCn1cc(Cn2ccc(C)c(-c3nnn[n-]3)c2=O)nn1	ZINC001588625987	1166572300	/nfs/dbraw/zinc/57/23/00/1166572300.db2.gz	QYRCNHBQVXONEI-UHFFFAOYSA-N	-1	0	312.337	0.553	20	30		DCEDRM
C=CCn1nnnc1Sc1ccc(-c2nn[nH]n2)c(C)n1	ZINC001588716481	1166580748	/nfs/dbraw/zinc/58/07/48/1166580748.db2.gz	GUDZHQKADIBSHK-UHFFFAOYSA-N	-1	0	301.339	0.894	20	30		DCEDRM
C=C[C@H](CO)NC(=O)N[C@H]1CCc2cc(-c3nn[nH]n3)ccc21	ZINC001588728477	1166582922	/nfs/dbraw/zinc/58/29/22/1166582922.db2.gz	QXQPAQNSOZFSNT-YPMHNXCESA-N	-1	0	314.349	0.700	20	30		DCEDRM
C[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)n1cnc(-c2nnn[n-]2)n1	ZINC001588952764	1166621354	/nfs/dbraw/zinc/62/13/54/1166621354.db2.gz	YBGCXHXFOOSUBB-TVQRCGJNSA-N	-1	0	315.341	0.171	20	30		DCEDRM
CC(C)(O)[C@H]1CCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589328917	1166649611	/nfs/dbraw/zinc/64/96/11/1166649611.db2.gz	XQOWXDWGOKBDKW-SECBINFHSA-N	-1	0	300.326	0.268	20	30		DCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)[nH]1	ZINC001590599246	1166949316	/nfs/dbraw/zinc/94/93/16/1166949316.db2.gz	UIXVNPGJSLATMQ-SECBINFHSA-N	-1	0	315.337	0.824	20	30		DCEDRM
CCc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c(C)nn1	ZINC001590881034	1167043890	/nfs/dbraw/zinc/04/38/90/1167043890.db2.gz	JSDIXMOYOIVLCH-UHFFFAOYSA-N	-1	0	324.308	0.375	20	30		DCEDRM
CO[C@@H]1CCC[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)C1	ZINC001591357187	1167231304	/nfs/dbraw/zinc/23/13/04/1167231304.db2.gz	VHVKFEMKNMXQMW-HTQZYQBOSA-N	-1	0	316.325	0.605	20	30		DCEDRM
CO[C@H]1CCC[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)C1	ZINC001591357190	1167231811	/nfs/dbraw/zinc/23/18/11/1167231811.db2.gz	VHVKFEMKNMXQMW-SFYZADRCSA-N	-1	0	316.325	0.605	20	30		DCEDRM
C[C@H]1COC(C)(C)CN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001591774710	1167374801	/nfs/dbraw/zinc/37/48/01/1167374801.db2.gz	WQRKHKCVZJTCKC-QMMMGPOBSA-N	-1	0	300.326	0.532	20	30		DCEDRM
Cc1ccc(-c2nn[nH]n2)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001592094458	1167451233	/nfs/dbraw/zinc/45/12/33/1167451233.db2.gz	FGUMUAQJTOZMSZ-LBPRGKRZSA-N	-1	0	310.317	0.776	20	30		DCEDRM
Cc1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cc1C#N	ZINC001592132206	1167462939	/nfs/dbraw/zinc/46/29/39/1167462939.db2.gz	ARNMAAAZHZZJCT-UHFFFAOYSA-N	-1	0	319.288	0.894	20	30		DCEDRM
Cc1cnccc1C=CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001592299650	1167484381	/nfs/dbraw/zinc/48/43/81/1167484381.db2.gz	AINBKPOVYAUARZ-IHWYPQMZSA-N	-1	0	321.304	0.817	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)N1CCC[C@H](C)C1	ZINC001592334967	1167491933	/nfs/dbraw/zinc/49/19/33/1167491933.db2.gz	JNRMAQHEJQHLKJ-VIFPVBQESA-N	-1	0	314.353	0.502	20	30		DCEDRM
N#Cc1ncc(N[C@H](CO)c2cccnc2)nc1-c1nnn[n-]1	ZINC001592710379	1167609631	/nfs/dbraw/zinc/60/96/31/1167609631.db2.gz	NGSMDXUPHUFTMN-SNVBAGLBSA-N	-1	0	309.293	0.069	20	30		DCEDRM
N#Cc1ncc(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)nc1-c1nnn[n-]1	ZINC001592710661	1167610453	/nfs/dbraw/zinc/61/04/53/1167610453.db2.gz	SSNSJOXARHDNTP-YWVKMMECSA-N	-1	0	312.337	0.898	20	30		DCEDRM
CCCc1cc(=O)n2nc(NC(=O)c3ccc(C#N)cn3)[n-]c2n1	ZINC001595391857	1167971768	/nfs/dbraw/zinc/97/17/68/1167971768.db2.gz	HSRAJCQGCHUGKT-UHFFFAOYSA-N	-1	0	323.316	0.889	20	30		DCEDRM
Cc1cc(C#N)cc(NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)n1	ZINC001600074190	1168111137	/nfs/dbraw/zinc/11/11/37/1168111137.db2.gz	RGHKYCMDWKECCU-GXFFZTMASA-N	-1	0	309.347	0.562	20	30		DCEDRM
Cc1cc(N(C)CCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c(C#N)cn1	ZINC001600235665	1168142563	/nfs/dbraw/zinc/14/25/63/1168142563.db2.gz	IZBWBPJBWDDYOM-CHWSQXEVSA-N	-1	0	316.361	0.925	20	30		DCEDRM
Cc1cc(NC(=O)N2CCN(CC#N)CC2)ncc1C(=O)[O-]	ZINC001600263019	1168152985	/nfs/dbraw/zinc/15/29/85/1168152985.db2.gz	YJHOAXZEUKOATJ-UHFFFAOYSA-N	-1	0	303.322	0.761	20	30		DCEDRM
Cc1[nH]nc(S(=O)(=O)NCc2cncc(C#N)c2)c1C(=O)[O-]	ZINC001600673284	1168243493	/nfs/dbraw/zinc/24/34/93/1168243493.db2.gz	DVWRPLMWARRREQ-UHFFFAOYSA-N	-1	0	321.318	0.162	20	30		DCEDRM
Cc1ncc(-c2nnc(N3CC[C@H](C(=O)[O-])C3)n2C)cc1C#N	ZINC001600732226	1168265733	/nfs/dbraw/zinc/26/57/33/1168265733.db2.gz	IMRIORNIPKHAGA-JTQLQIEISA-N	-1	0	312.333	0.968	20	30		DCEDRM
Cn1cc(NC(=O)N2CCN(CCC#N)CC2)cc1C(=O)[O-]	ZINC001600963219	1168534614	/nfs/dbraw/zinc/53/46/14/1168534614.db2.gz	WSFWERGCKGGZEL-UHFFFAOYSA-N	-1	0	305.338	0.786	20	30		DCEDRM
Cn1ccc([C@H](NC(=O)c2ccccc2OCC#N)C(=O)[O-])n1	ZINC001600973321	1168539436	/nfs/dbraw/zinc/53/94/36/1168539436.db2.gz	MCJAKRJQKBQTAN-ZDUSSCGKSA-N	-1	0	314.301	0.878	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001601033832	1168573327	/nfs/dbraw/zinc/57/33/27/1168573327.db2.gz	RZOXXLUVZGWSJB-CQSZACIVSA-N	-1	0	313.313	0.320	20	30		DCEDRM
N#CC1(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])CCOCC1	ZINC001601050597	1168577792	/nfs/dbraw/zinc/57/77/92/1168577792.db2.gz	VVDWUIXERJYFGY-JTQLQIEISA-N	-1	0	309.347	0.575	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCCC23OCCO3)CC1	ZINC001601051206	1168577929	/nfs/dbraw/zinc/57/79/29/1168577929.db2.gz	GHNWNNWSFJXUGV-NSHDSACASA-N	-1	0	323.349	0.682	20	30		DCEDRM
N#CCCN1CCN(C(=O)Nc2cccc(CC(=O)[O-])n2)CC1	ZINC001601067798	1168580480	/nfs/dbraw/zinc/58/04/80/1168580480.db2.gz	NHEWZZLKINFMIL-UHFFFAOYSA-N	-1	0	317.349	0.772	20	30		DCEDRM
N#CCCc1ccc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC001601068895	1168580683	/nfs/dbraw/zinc/58/06/83/1168580683.db2.gz	WCJRAZKBKSAMRP-QWHCGFSZSA-N	-1	0	324.358	0.663	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC001601070231	1168581060	/nfs/dbraw/zinc/58/10/60/1168581060.db2.gz	LDTQTQHXDUWKCH-LBPRGKRZSA-N	-1	0	315.329	0.866	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1cncc(Cl)c1	ZINC001601073210	1168581622	/nfs/dbraw/zinc/58/16/22/1168581622.db2.gz	HVRZEVFYDMYVQI-UHFFFAOYSA-N	-1	0	303.727	0.724	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC001601073099	1168581751	/nfs/dbraw/zinc/58/17/51/1168581751.db2.gz	BCPDAYFGFIRXSX-UHFFFAOYSA-N	-1	0	324.318	0.257	20	30		DCEDRM
N#CCN(CCC(=O)[O-])Cc1nnnn1Cc1ccccc1	ZINC001601073011	1168581822	/nfs/dbraw/zinc/58/18/22/1168581822.db2.gz	WQNVVMHSNSBIJE-UHFFFAOYSA-N	-1	0	300.322	0.522	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1c[nH]c2ncccc21	ZINC001601073404	1168581976	/nfs/dbraw/zinc/58/19/76/1168581976.db2.gz	SIUFLVUKYBYWHW-UHFFFAOYSA-N	-1	0	308.319	0.552	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)c2ccnc(C(=O)[O-])c2)C1	ZINC001601074978	1168582194	/nfs/dbraw/zinc/58/21/94/1168582194.db2.gz	ZDBOPTVZESZAAV-NSHDSACASA-N	-1	0	302.334	0.745	20	30		DCEDRM
N#CCOc1cccc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1	ZINC001601075632	1168582208	/nfs/dbraw/zinc/58/22/08/1168582208.db2.gz	MADKNWRPKIEIMD-AWEZNQCLSA-N	-1	0	305.290	0.642	20	30		DCEDRM
N#CCc1ccc(OC[C@H](O)CN2C[C@@H](O)C[C@H]2C(=O)[O-])cc1	ZINC001601077349	1168582273	/nfs/dbraw/zinc/58/22/73/1168582273.db2.gz	YZACRHQAUYSGIO-GUTXKFCHSA-N	-1	0	320.345	0.012	20	30		DCEDRM
N#CCc1ccnc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)c1	ZINC001601077898	1168582877	/nfs/dbraw/zinc/58/28/77/1168582877.db2.gz	DYVLTBJVGCEVCS-LLVKDONJSA-N	-1	0	316.317	0.409	20	30		DCEDRM
N#Cc1c(CN2CCN(c3nc[nH]n3)CC2)cccc1C(=O)[O-]	ZINC001601081788	1168583149	/nfs/dbraw/zinc/58/31/49/1168583149.db2.gz	KVUGUHBFVRDNRB-UHFFFAOYSA-N	-1	0	312.333	0.697	20	30		DCEDRM
N#Cc1cc(CS(=O)(=O)NC2CC(C(=O)[O-])C2)cs1	ZINC001601087025	1168583545	/nfs/dbraw/zinc/58/35/45/1168583545.db2.gz	PEKCKQGDJYLMQM-UHFFFAOYSA-N	-1	0	300.361	0.902	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)ccc1F	ZINC001601090041	1168583963	/nfs/dbraw/zinc/58/39/63/1168583963.db2.gz	GFUYFPLQBXONRJ-SNVBAGLBSA-N	-1	0	317.276	0.925	20	30		DCEDRM
N#Cc1cc(O)cc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])c1	ZINC001601089388	1168583976	/nfs/dbraw/zinc/58/39/76/1168583976.db2.gz	PEPMDGSRJMBWGA-LBPRGKRZSA-N	-1	0	300.274	0.344	20	30		DCEDRM
N#Cc1ccc([C@H]2CN(CC(=O)NCCC(=O)[O-])CCO2)cc1	ZINC001601098302	1168584526	/nfs/dbraw/zinc/58/45/26/1168584526.db2.gz	LPCGNWPWAISHPF-CQSZACIVSA-N	-1	0	317.345	0.522	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)CN2CCOCC2)C(=O)[O-])cc1	ZINC001601096011	1168584801	/nfs/dbraw/zinc/58/48/01/1168584801.db2.gz	KIGMNSYFBFEBFU-AWEZNQCLSA-N	-1	0	304.302	0.559	20	30		DCEDRM
N#Cc1ccc(CCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	ZINC001601100296	1168585403	/nfs/dbraw/zinc/58/54/03/1168585403.db2.gz	XHAPXDPZJRXYAS-ZDUSSCGKSA-N	-1	0	315.329	0.293	20	30		DCEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H](F)C(=O)[O-])c1	ZINC001601103935	1168585496	/nfs/dbraw/zinc/58/54/96/1168585496.db2.gz	VJVFOSXGPFIWTO-QMMMGPOBSA-N	-1	0	306.702	0.913	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CN2CCOC[C@@H]2CC(=O)[O-])c1	ZINC001601122781	1168587999	/nfs/dbraw/zinc/58/79/99/1168587999.db2.gz	RFBAUGBMMJQGOU-AWEZNQCLSA-N	-1	0	317.345	0.350	20	30		DCEDRM
N#Cc1cccc(CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c1	ZINC001601123042	1168588050	/nfs/dbraw/zinc/58/80/50/1168588050.db2.gz	WITWFQOIYSFHAR-OAHLLOKOSA-N	-1	0	302.330	0.785	20	30		DCEDRM
N#Cc1ccnnc1N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001601128909	1168589491	/nfs/dbraw/zinc/58/94/91/1168589491.db2.gz	XUBVKMCZKUPQPM-HNNXBMFYSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1cnc(Cl)c(CN2CCC[C@H]2C(=O)NCC(=O)[O-])c1	ZINC001601130406	1168590696	/nfs/dbraw/zinc/59/06/96/1168590696.db2.gz	OLDHLXMZFWWRIV-NSHDSACASA-N	-1	0	322.752	0.772	20	30		DCEDRM
N#Cc1cnnc(N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c1	ZINC001601130138	1168591046	/nfs/dbraw/zinc/59/10/46/1168591046.db2.gz	ARRUPUCBDOLUFF-OAHLLOKOSA-N	-1	0	302.334	0.934	20	30		DCEDRM
N#Cc1cnc(N(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C2CC2)cn1	ZINC001601131047	1168591293	/nfs/dbraw/zinc/59/12/93/1168591293.db2.gz	YTRRDGAVHSJGOV-RYUDHWBXSA-N	-1	0	315.333	0.154	20	30		DCEDRM
N#Cc1cncc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)c1	ZINC001601131218	1168591498	/nfs/dbraw/zinc/59/14/98/1168591498.db2.gz	ULDYLHZGCCVOBM-UHFFFAOYSA-N	-1	0	300.230	0.770	20	30		DCEDRM
N#Cc1nccc(N2CCCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1	ZINC001601134655	1168593380	/nfs/dbraw/zinc/59/33/80/1168593380.db2.gz	WFTGFUFZXPBZGM-QWRGUYRKSA-N	-1	0	315.333	0.108	20	30		DCEDRM
O=C(C#CC1CC1)NC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001601224027	1168666134	/nfs/dbraw/zinc/66/61/34/1168666134.db2.gz	PCHWSWDBFFCCBP-STQMWFEESA-N	-1	0	304.346	0.228	20	30		DCEDRM
O=C([O-])c1cn(CC(=O)N[C@H]2CCN(O)C2=O)c2ccccc12	ZINC001601378598	1168723743	/nfs/dbraw/zinc/72/37/43/1168723743.db2.gz	VVVTYKNTZDQORO-NSHDSACASA-N	-1	0	317.301	0.446	20	30		DCEDRM
O=C([O-])c1ccc(NC(=O)NCC#C[C@H]2CCCCO2)nn1	ZINC001601448645	1168750354	/nfs/dbraw/zinc/75/03/54/1168750354.db2.gz	SMYVTTLRZNOKJY-SNVBAGLBSA-N	-1	0	304.306	0.869	20	30		DCEDRM
O=C([O-])[C@@]1(C(=O)N[C@@H]2CCN(O)C2=O)C[C@@H]1c1ccccc1	ZINC001602630693	1169135924	/nfs/dbraw/zinc/13/59/24/1169135924.db2.gz	ALVKONJPKJTRML-HFAKWTLXSA-N	-1	0	304.302	0.351	20	30		DCEDRM
C#CCC(C)(C)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001602681413	1169157076	/nfs/dbraw/zinc/15/70/76/1169157076.db2.gz	LSPUNHFPYASKQJ-MRXNPFEDSA-N	-1	0	308.378	0.424	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001602676546	1169157500	/nfs/dbraw/zinc/15/75/00/1169157500.db2.gz	AQXINSIAVHVOHR-NSHDSACASA-N	-1	0	303.318	0.676	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(C(=O)NC)ccc1OC	ZINC001602688621	1169160074	/nfs/dbraw/zinc/16/00/74/1169160074.db2.gz	RLSPLLQSFFOLEX-UHFFFAOYSA-N	-1	0	319.317	0.607	20	30		DCEDRM
C#CC[C@@H](NC(=O)CC1(Cn2cnnn2)CCCCC1)C(=O)[O-]	ZINC001602687839	1169160711	/nfs/dbraw/zinc/16/07/11/1169160711.db2.gz	XSFDSSKSQSFXKH-GFCCVEGCSA-N	-1	0	319.365	0.606	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	ZINC001602700350	1169163921	/nfs/dbraw/zinc/16/39/21/1169163921.db2.gz	VSHMJBJFRUSFRA-LKQDWFRTSA-N	-1	0	318.373	0.618	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cn(C)nc1C(C)(C)C)C(=O)[O-]	ZINC001602698430	1169164229	/nfs/dbraw/zinc/16/42/29/1169164229.db2.gz	HADPUDRELWXNGX-VIFPVBQESA-N	-1	0	313.379	0.472	20	30		DCEDRM
C#CCC1(O)CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1	ZINC001602700324	1169164267	/nfs/dbraw/zinc/16/42/67/1169164267.db2.gz	VDWOWHNHYQSGRK-UHFFFAOYSA-N	-1	0	323.370	0.924	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1F	ZINC001602702292	1169165685	/nfs/dbraw/zinc/16/56/85/1169165685.db2.gz	FAPQWCUPZYXGDA-SNVBAGLBSA-N	-1	0	318.312	0.902	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001602715370	1169168585	/nfs/dbraw/zinc/16/85/85/1169168585.db2.gz	FYROZLGAVQBUMH-UHFFFAOYSA-N	-1	0	314.297	0.184	20	30		DCEDRM
C#CCN1C(=O)C[C@H](N2CCc3c(cccc3C(=O)[O-])C2)C1=O	ZINC001602720635	1169170321	/nfs/dbraw/zinc/17/03/21/1169170321.db2.gz	ADLODTXPLOAWND-AWEZNQCLSA-N	-1	0	312.325	0.504	20	30		DCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)OC2(C(=O)[O-])CC2)cc1	ZINC001602726859	1169174431	/nfs/dbraw/zinc/17/44/31/1169174431.db2.gz	VLHQMHDHJYWJRX-UHFFFAOYSA-N	-1	0	323.326	0.372	20	30		DCEDRM
C#CCOCCNC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1	ZINC001602728638	1169174910	/nfs/dbraw/zinc/17/49/10/1169174910.db2.gz	YSELLLGPAPCGCL-UHFFFAOYSA-N	-1	0	313.313	0.950	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1(C(=O)[O-])CC1	ZINC001602733832	1169176303	/nfs/dbraw/zinc/17/63/03/1169176303.db2.gz	ANXGBQVEZPWRQL-UHFFFAOYSA-N	-1	0	320.276	0.510	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC(C)(C)C(=O)[O-]	ZINC001602734351	1169176768	/nfs/dbraw/zinc/17/67/68/1169176768.db2.gz	PXYHVQXAKAZWHG-UHFFFAOYSA-N	-1	0	322.292	0.756	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001602743936	1169177438	/nfs/dbraw/zinc/17/74/38/1169177438.db2.gz	ZNFDONMCRPJTIR-UONOGXRCSA-N	-1	0	315.325	0.543	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1	ZINC001602757026	1169179803	/nfs/dbraw/zinc/17/98/03/1169179803.db2.gz	DMKVJBAZXDZYNY-LLVKDONJSA-N	-1	0	308.338	0.420	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOC[C@@H]1C(=O)OC(C)(C)C	ZINC001602778292	1169182958	/nfs/dbraw/zinc/18/29/58/1169182958.db2.gz	NHABBKNOUMWSLE-LLVKDONJSA-N	-1	0	313.350	0.977	20	30		DCEDRM
C=C[C@H](OC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1)C(=O)[O-]	ZINC001602827792	1169190161	/nfs/dbraw/zinc/19/01/61/1169190161.db2.gz	QPQWKLVXYQPWRS-WCFLWFBJSA-N	-1	0	320.301	0.162	20	30		DCEDRM
C=CCCC(=O)N1CCC[C@@H]1CNc1ccnc(C(=O)[O-])n1	ZINC001602855868	1169193663	/nfs/dbraw/zinc/19/36/63/1169193663.db2.gz	GOHHCCMSOWRGNX-LLVKDONJSA-N	-1	0	304.350	0.966	20	30		DCEDRM
C=CCN1CC[C@@H](OC(=O)c2ccc(-c3nn[nH]n3)nc2)C1=O	ZINC001602862533	1169193787	/nfs/dbraw/zinc/19/37/87/1169193787.db2.gz	JILMLAMMKGLKOI-LLVKDONJSA-N	-1	0	314.305	0.205	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001602857027	1169194012	/nfs/dbraw/zinc/19/40/12/1169194012.db2.gz	LVDMDKKJMXNRKI-JTQLQIEISA-N	-1	0	324.308	0.906	20	30		DCEDRM
C=CCNC(=O)COC(=O)c1ccc(C)c(-c2nn[nH]n2)c1	ZINC001602862794	1169194769	/nfs/dbraw/zinc/19/47/69/1169194769.db2.gz	KILNWGZNVHWQSR-UHFFFAOYSA-N	-1	0	301.306	0.634	20	30		DCEDRM
C=CCCC(=O)N1CC[C@@H](CNc2ccnc(C(=O)[O-])n2)C1	ZINC001602855910	1169194829	/nfs/dbraw/zinc/19/48/29/1169194829.db2.gz	IOEHLTFNCYVVFD-NSHDSACASA-N	-1	0	304.350	0.823	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1	ZINC001602866723	1169196912	/nfs/dbraw/zinc/19/69/12/1169196912.db2.gz	JZWQIXZYZXPEON-NSHDSACASA-N	-1	0	315.333	0.989	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001602881344	1169198355	/nfs/dbraw/zinc/19/83/55/1169198355.db2.gz	QHILOQMABCMGGZ-WOPDTQHZSA-N	-1	0	313.350	0.832	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C1(NC(C)=O)CCCCC1)C(=O)[O-]	ZINC001602910401	1169202814	/nfs/dbraw/zinc/20/28/14/1169202814.db2.gz	YDPDOKCAZARSJT-GFCCVEGCSA-N	-1	0	312.366	0.597	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCn2c(C)ncc2C1)C(=O)[O-]	ZINC001602910339	1169203662	/nfs/dbraw/zinc/20/36/62/1169203662.db2.gz	VTUMOBQBOJQFCE-WCQYABFASA-N	-1	0	307.350	0.526	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1csc(C(=O)OC)n1)C(=O)[O-]	ZINC001602913419	1169204142	/nfs/dbraw/zinc/20/41/42/1169204142.db2.gz	PUKZHTLQHYXLKZ-SSDOTTSWSA-N	-1	0	314.319	0.315	20	30		DCEDRM
C=CCn1c(C2CC2)nnc1N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001602932126	1169210402	/nfs/dbraw/zinc/21/04/02/1169210402.db2.gz	KIVWLMPZTWRHMA-MNOVXSKESA-N	-1	0	320.349	0.652	20	30		DCEDRM
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001602932196	1169211274	/nfs/dbraw/zinc/21/12/74/1169211274.db2.gz	LWLDUOWQHVIRPM-YGRLFVJLSA-N	-1	0	310.329	0.971	20	30		DCEDRM
C=CCn1c([C@H](C)O)nnc1N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001602938247	1169213296	/nfs/dbraw/zinc/21/32/96/1169213296.db2.gz	ZODRRMRFNOVLIM-ZIBATOQPSA-N	-1	0	322.365	0.445	20	30		DCEDRM
C[C@H](C(=O)N1CCC[C@H](CC#N)C1)n1cnc(-c2nnn[n-]2)n1	ZINC001602998867	1169228400	/nfs/dbraw/zinc/22/84/00/1169228400.db2.gz	CJSRBRVLAYVBOA-NXEZZACHSA-N	-1	0	315.341	0.171	20	30		DCEDRM
CC(=O)N1CC[C@@](C)(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001603016864	1169231986	/nfs/dbraw/zinc/23/19/86/1169231986.db2.gz	PFLFDPAJVWBWRV-CQSZACIVSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001603129459	1169250428	/nfs/dbraw/zinc/25/04/28/1169250428.db2.gz	HOSYJEZODJMCTH-NXEZZACHSA-N	-1	0	303.322	0.277	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(C1CCC1)S(=O)(=O)c1cncc(C#N)c1	ZINC001603197171	1169271569	/nfs/dbraw/zinc/27/15/69/1169271569.db2.gz	GUNIGHHVJSERDL-VIFPVBQESA-N	-1	0	309.347	0.970	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC001603230651	1169277319	/nfs/dbraw/zinc/27/73/19/1169277319.db2.gz	SLGHGTGFKUFNJU-VIFPVBQESA-N	-1	0	306.409	0.758	20	30		DCEDRM
CC(C)(C)[C@H]([NH2+]Cc1cc(=O)n2[n-]cc(C#N)c2n1)C(=O)[O-]	ZINC001603529659	1169318473	/nfs/dbraw/zinc/31/84/73/1169318473.db2.gz	ZCXGYJWFDMLGMC-LLVKDONJSA-N	-1	0	303.322	0.895	20	30		DCEDRM
CC1(C)[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)[C@H]2CCO[C@@H]21	ZINC001603758690	1169381565	/nfs/dbraw/zinc/38/15/65/1169381565.db2.gz	ZCNJFAJTBWLDCT-HFKOZYHYSA-N	-1	0	312.337	0.754	20	30		DCEDRM
C[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@@H](C2CC2)O1	ZINC001603939886	1169447190	/nfs/dbraw/zinc/44/71/90/1169447190.db2.gz	BWBMNXJTUKVIES-KWQFWETISA-N	-1	0	312.337	0.532	20	30		DCEDRM
C[C@@](Cn1cccn1)(NC(=O)C#Cc1cccs1)C(=O)[O-]	ZINC001604243316	1169531585	/nfs/dbraw/zinc/53/15/85/1169531585.db2.gz	QDHAEBLSUYAYMC-AWEZNQCLSA-N	-1	0	303.343	0.956	20	30		DCEDRM
C[C@H](NC(=O)N1CCO[C@@H](C#N)C1)c1ncc(C(=O)[O-])s1	ZINC001604281372	1169545365	/nfs/dbraw/zinc/54/53/65/1169545365.db2.gz	CUEPPVKYMZTYKH-YUMQZZPRSA-N	-1	0	310.335	0.836	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001604427604	1169591178	/nfs/dbraw/zinc/59/11/78/1169591178.db2.gz	PNSIBLILPDOXBM-MPKXVKKWSA-N	-1	0	318.329	0.931	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C[C@H]1O	ZINC001604804891	1169690265	/nfs/dbraw/zinc/69/02/65/1169690265.db2.gz	BURYTIQMPCZIPB-GZMMTYOYSA-N	-1	0	310.331	0.258	20	30		DCEDRM
CC[C@H](C)[C@@H](NC(=O)COC(=O)c1cc(C#N)ccn1)C(=O)[O-]	ZINC001604935287	1169754476	/nfs/dbraw/zinc/75/44/76/1169754476.db2.gz	IQJRPUMYOMRQHX-TVQRCGJNSA-N	-1	0	319.317	0.726	20	30		DCEDRM
CCCOc1ccnc(CC(=O)N(CC#N)CCC(=O)[O-])n1	ZINC001605355442	1169902704	/nfs/dbraw/zinc/90/27/04/1169902704.db2.gz	LGDZYYPWDFYFJK-UHFFFAOYSA-N	-1	0	306.322	0.635	20	30		DCEDRM
CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001605448065	1169925017	/nfs/dbraw/zinc/92/50/17/1169925017.db2.gz	QNACZNHCKPTYME-QWRGUYRKSA-N	-1	0	303.322	0.329	20	30		DCEDRM
CN(c1ncc(C(=O)[O-])cn1)[C@H]1CCN(C(=O)C#CC2CC2)C1	ZINC001606188020	1170107794	/nfs/dbraw/zinc/10/77/94/1170107794.db2.gz	ZFZNQFQPCVUIAJ-ZDUSSCGKSA-N	-1	0	314.345	0.625	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C1CCC(CC(=O)[O-])CC1	ZINC001606273192	1170143791	/nfs/dbraw/zinc/14/37/91/1170143791.db2.gz	LPGCWBRRNLDKTJ-UHFFFAOYSA-N	-1	0	300.384	0.217	20	30		DCEDRM
N#Cc1ncc(N[C@H]2CCO[C@@H](C3CC3)C2)nc1-c1nnn[n-]1	ZINC001606397958	1170183414	/nfs/dbraw/zinc/18/34/14/1170183414.db2.gz	FEHXYNXKLIGBTO-GXSJLCMTSA-N	-1	0	312.337	0.898	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@@H]2c2ncon2)nc1-c1nnn[n-]1	ZINC001606397561	1170183589	/nfs/dbraw/zinc/18/35/89/1170183589.db2.gz	UNWXVWUSTCCLTK-MRVPVSSYSA-N	-1	0	310.281	0.253	20	30		DCEDRM
N#Cc1ncc(NCC[C@H]2CCCOC2)nc1-c1nnn[n-]1	ZINC001606398333	1170185244	/nfs/dbraw/zinc/18/52/44/1170185244.db2.gz	WYRIMZNUKJGRRJ-SECBINFHSA-N	-1	0	300.326	0.757	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2cc(C#N)ccn2)[C@@H](C(=O)[O-])C1	ZINC001606406400	1170187742	/nfs/dbraw/zinc/18/77/42/1170187742.db2.gz	FKNAPHIOKJPOIR-ZYHUDNBSSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC001606442251	1170203521	/nfs/dbraw/zinc/20/35/21/1170203521.db2.gz	OTXOXAUFPZXJGJ-SNVBAGLBSA-N	-1	0	310.693	0.958	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC001606453887	1170209255	/nfs/dbraw/zinc/20/92/55/1170209255.db2.gz	LVVFPTPJGWYOGM-NSCUHMNNSA-N	-1	0	306.274	0.906	20	30		DCEDRM
COC(=O)Cn1cc(C=NNc2cccc(C(=O)[O-])c2C)nn1	ZINC001606484479	1170218941	/nfs/dbraw/zinc/21/89/41/1170218941.db2.gz	QJEBPYJBSDMADJ-UHFFFAOYSA-N	-1	0	317.305	0.904	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)COc1cccc(C#N)c1	ZINC001606505803	1170222741	/nfs/dbraw/zinc/22/27/41/1170222741.db2.gz	VHMPYGQATKNNQS-GFCCVEGCSA-N	-1	0	320.301	0.460	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H]1CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001606511669	1170224210	/nfs/dbraw/zinc/22/42/10/1170224210.db2.gz	TVMUHPQZTYYFFD-NXEZZACHSA-N	-1	0	309.322	0.195	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCCN1C(=O)c1cc(C#N)cn1C	ZINC001606827906	1170304541	/nfs/dbraw/zinc/30/45/41/1170304541.db2.gz	NDEUXGRTISZEKA-HNNXBMFYSA-N	-1	0	305.334	0.993	20	30		DCEDRM
COCC[C@@H](COC)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001606856984	1170315360	/nfs/dbraw/zinc/31/53/60/1170315360.db2.gz	YPQZKTLGXVDFPU-NSHDSACASA-N	-1	0	313.354	0.438	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001606995981	1170348006	/nfs/dbraw/zinc/34/80/06/1170348006.db2.gz	IUGMVOLJPYOWFV-STQMWFEESA-N	-1	0	306.318	0.575	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC001607065043	1170377503	/nfs/dbraw/zinc/37/75/03/1170377503.db2.gz	FSEZKANKKGBSMM-UHFFFAOYSA-N	-1	0	301.262	0.564	20	30		DCEDRM
COc1ccc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])cc1C#N	ZINC001607260522	1170420181	/nfs/dbraw/zinc/42/01/81/1170420181.db2.gz	VYRBABYCRVBHEW-VIFPVBQESA-N	-1	0	312.347	0.707	20	30		DCEDRM
Cc1cc(CNC(=O)[C@H](C)n2cnc(C#N)n2)oc1C(=O)[O-]	ZINC001607643450	1170488888	/nfs/dbraw/zinc/48/88/88/1170488888.db2.gz	OLBSDMBLDJKVHS-QMMMGPOBSA-N	-1	0	303.278	0.627	20	30		DCEDRM
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](F)C(=O)[O-])CC2)o1	ZINC001607943380	1170530848	/nfs/dbraw/zinc/53/08/48/1170530848.db2.gz	LRULSZGGIRVIGN-JTQLQIEISA-N	-1	0	324.312	0.610	20	30		DCEDRM
Cc1nc(N(C)CCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])ccc1C#N	ZINC001607961664	1170534336	/nfs/dbraw/zinc/53/43/36/1170534336.db2.gz	WGAVAPSJKQNRCA-STQMWFEESA-N	-1	0	316.361	0.877	20	30		DCEDRM
Cc1onc(CC(=O)N(CC(=O)[O-])C2CCOCC2)c1C#N	ZINC001608059300	1170563363	/nfs/dbraw/zinc/56/33/63/1170563363.db2.gz	ZRSUGVMASIZIRL-UHFFFAOYSA-N	-1	0	307.306	0.489	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@H](O)C(Cl)(Cl)Cl	ZINC001608184331	1170602165	/nfs/dbraw/zinc/60/21/65/1170602165.db2.gz	UQMGACOTDGCCKJ-YFKPBYRVSA-N	-1	0	303.529	0.544	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)c1cc(C#N)ccc1F)C(=O)[O-]	ZINC001608162721	1170604220	/nfs/dbraw/zinc/60/42/20/1170604220.db2.gz	HCWMGEZPFNFADC-GFCCVEGCSA-N	-1	0	302.265	0.987	20	30		DCEDRM
N#CC1(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CCOCC1	ZINC001608172426	1170609226	/nfs/dbraw/zinc/60/92/26/1170609226.db2.gz	VAAZQFJMYNJDBY-JTQLQIEISA-N	-1	0	312.322	0.029	20	30		DCEDRM
N#CC1(CC(=O)N[C@]2(CC(=O)[O-])CCCOC2)CCOCC1	ZINC001608175659	1170609391	/nfs/dbraw/zinc/60/93/91/1170609391.db2.gz	FOCZTHTVTSRKKP-HNNXBMFYSA-N	-1	0	310.350	0.837	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1	ZINC001608172723	1170609666	/nfs/dbraw/zinc/60/96/66/1170609666.db2.gz	MZJKPXKSHVURQY-LBPRGKRZSA-N	-1	0	319.361	0.604	20	30		DCEDRM
N#C[C@@H]1C[C@H]1c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1CC1CC1	ZINC001608179580	1170610482	/nfs/dbraw/zinc/61/04/82/1170610482.db2.gz	XPEDSEIEWHHUPB-TUAOUCFPSA-N	-1	0	317.349	0.605	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)c2ccccc2C(=O)[O-])C1	ZINC001608181343	1170610978	/nfs/dbraw/zinc/61/09/78/1170610978.db2.gz	IPHRWKCFYQKPNA-ZDUSSCGKSA-N	-1	0	310.331	0.424	20	30		DCEDRM
N#CCC1(CNC(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)CC1	ZINC001608177797	1170611027	/nfs/dbraw/zinc/61/10/27/1170611027.db2.gz	DXPUMIOPKIXXLN-NSHDSACASA-N	-1	0	307.350	0.414	20	30		DCEDRM
N#CCCNC(=O)CN1CCOc2c(cccc2C(=O)[O-])C1	ZINC001608184692	1170611388	/nfs/dbraw/zinc/61/13/88/1170611388.db2.gz	RWNKURWUWMJUSR-UHFFFAOYSA-N	-1	0	303.318	0.609	20	30		DCEDRM
N#CCN(CCC(=O)[O-])c1nnnn1CCc1ccccc1	ZINC001608187825	1170612573	/nfs/dbraw/zinc/61/25/73/1170612573.db2.gz	FVRDZIDNLPEPEK-UHFFFAOYSA-N	-1	0	300.322	0.720	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC001608189277	1170612720	/nfs/dbraw/zinc/61/27/20/1170612720.db2.gz	KRMVYYWUJLQUHY-CQSZACIVSA-N	-1	0	324.358	0.665	20	30		DCEDRM
N#CCc1cccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1	ZINC001608189922	1170613090	/nfs/dbraw/zinc/61/30/90/1170613090.db2.gz	UJYVIBYOBGDQKO-ZDUSSCGKSA-N	-1	0	315.329	0.558	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(CC(=O)Nc2nccs2)c1=O	ZINC001608195997	1170613539	/nfs/dbraw/zinc/61/35/39/1170613539.db2.gz	LPARFXARTMCOCO-UHFFFAOYSA-N	-1	0	304.287	0.513	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])cc1O	ZINC001608200149	1170613767	/nfs/dbraw/zinc/61/37/67/1170613767.db2.gz	DRDVYNPXQSGCFQ-NSHDSACASA-N	-1	0	320.301	0.600	20	30		DCEDRM
N#C[C@]12CN([C@@H](C(=O)[O-])c3ccccc3)C[C@@H]1CS(=O)(=O)C2	ZINC001608191442	1170613972	/nfs/dbraw/zinc/61/39/72/1170613972.db2.gz	LPAAQJOXUGTGDA-UMVBOHGHSA-N	-1	0	320.370	0.682	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)cc1	ZINC001608206724	1170615352	/nfs/dbraw/zinc/61/53/52/1170615352.db2.gz	ZEIXROMEJGYIJX-OAHLLOKOSA-N	-1	0	317.301	0.247	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCc2ncc(C(=O)[O-])s2)nc1	ZINC001608211871	1170616236	/nfs/dbraw/zinc/61/62/36/1170616236.db2.gz	NPQKECNNHGABPG-UHFFFAOYSA-N	-1	0	324.343	0.586	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1	ZINC001608218743	1170617167	/nfs/dbraw/zinc/61/71/67/1170617167.db2.gz	XEKQVIACWCMIRN-ZDUSSCGKSA-N	-1	0	304.302	0.639	20	30		DCEDRM
N#Cc1cnc(N2CCC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cn1	ZINC001608222219	1170618706	/nfs/dbraw/zinc/61/87/06/1170618706.db2.gz	BKCMQRPHSWRDQP-NEPJUHHUSA-N	-1	0	315.333	0.154	20	30		DCEDRM
O=C([O-])c1cccc(C#CCOC(=O)CCn2cnnn2)c1	ZINC001608324793	1170649582	/nfs/dbraw/zinc/64/95/82/1170649582.db2.gz	ARXYLROGRHRGMG-UHFFFAOYSA-N	-1	0	300.274	0.356	20	30		DCEDRM
O=C([O-])Cc1cccc(NC(=O)N[C@H]2CCCN(O)C2=O)n1	ZINC001608785970	1170754249	/nfs/dbraw/zinc/75/42/49/1170754249.db2.gz	PRQDGLHTMISLDK-VIFPVBQESA-N	-1	0	308.294	0.210	20	30		DCEDRM
O=C([O-])c1cnc(N[C@@H]2CCN(C(=O)C#CC3CC3)C2)nc1	ZINC001608976450	1170779405	/nfs/dbraw/zinc/77/94/05/1170779405.db2.gz	TUEPIKBUCKGPEZ-GFCCVEGCSA-N	-1	0	300.318	0.601	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1C	ZINC001609019354	1170785011	/nfs/dbraw/zinc/78/50/11/1170785011.db2.gz	RZVFNOXAWPLTBH-VIFPVBQESA-N	-1	0	312.333	0.594	20	30		DCEDRM
C#CC[C@H](NC(=O)COc1ccc(C=O)cc1OC)C(=O)[O-]	ZINC001609078699	1170801469	/nfs/dbraw/zinc/80/14/69/1170801469.db2.gz	DEUACKQFAGJSGI-NSHDSACASA-N	-1	0	305.286	0.479	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C)c(N(C)C)c1)C(=O)[O-]	ZINC001609090021	1170805755	/nfs/dbraw/zinc/80/57/55/1170805755.db2.gz	XKNOPYFWGOGXRE-GFCCVEGCSA-N	-1	0	310.375	0.816	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)c2nccnc2C(=O)[O-])n1	ZINC001609174751	1170846325	/nfs/dbraw/zinc/84/63/25/1170846325.db2.gz	GXOHFMXTBGUQQZ-UHFFFAOYSA-N	-1	0	315.333	0.658	20	30		DCEDRM
C=CCO[C@@H]1CCN(c2cc(C)nc3nc(C(=O)[O-])nn32)C1	ZINC001609432123	1170974337	/nfs/dbraw/zinc/97/43/37/1170974337.db2.gz	FUDJVHDFMQGZPE-SNVBAGLBSA-N	-1	0	303.322	0.912	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cn(-c2ccccc2)nn1)C(=O)[O-]	ZINC001609442950	1170979073	/nfs/dbraw/zinc/97/90/73/1170979073.db2.gz	MCMRXQNAOOFVEP-ZDUSSCGKSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cnc(Cl)n1C)C(=O)[O-]	ZINC001609452725	1170982870	/nfs/dbraw/zinc/98/28/70/1170982870.db2.gz	UURJBDPCSSXQFH-ZETCQYMHSA-N	-1	0	323.758	0.008	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H]1COC[C@H]1n1cc(C(=O)[O-])nn1	ZINC001609487101	1170995817	/nfs/dbraw/zinc/99/58/17/1170995817.db2.gz	BZOJBXXWTHQYKA-KXGXSXBTSA-N	-1	0	323.305	0.051	20	30		DCEDRM
CC#CCCNC(=O)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC001609488802	1170996171	/nfs/dbraw/zinc/99/61/71/1170996171.db2.gz	MHIDWYKMKZEHQQ-UHFFFAOYSA-N	-1	0	318.329	0.539	20	30		DCEDRM
C[C@@H](C#N)CN(C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C1CC1	ZINC001609631332	1171055740	/nfs/dbraw/zinc/05/57/40/1171055740.db2.gz	YCPRRVMEMGZOMW-QMMMGPOBSA-N	-1	0	319.321	0.207	20	30		DCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC001609630808	1171056043	/nfs/dbraw/zinc/05/60/43/1171056043.db2.gz	FPZDCSHFTGCYPI-VXGBXAGGSA-N	-1	0	323.393	0.954	20	30		DCEDRM
C[C@@H](C#N)Oc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1	ZINC001609631934	1171056281	/nfs/dbraw/zinc/05/62/81/1171056281.db2.gz	VMSGKXJNDRNGIF-SMDDNHRTSA-N	-1	0	317.345	0.753	20	30		DCEDRM
C[C@H](CC#N)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC001609725466	1171075141	/nfs/dbraw/zinc/07/51/41/1171075141.db2.gz	FBPJRPCLLOZZMF-SKDRFNHKSA-N	-1	0	317.301	0.284	20	30		DCEDRM
C[C@@]1(CCC(=O)[O-])NC(=O)N(CN2CCC(C#N)CC2)C1=O	ZINC001609820529	1171094610	/nfs/dbraw/zinc/09/46/10/1171094610.db2.gz	BOQCEWLDHGKUAI-AWEZNQCLSA-N	-1	0	308.338	0.355	20	30		DCEDRM
CCCN(CC(=O)[O-])CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC001609977381	1171129964	/nfs/dbraw/zinc/12/99/64/1171129964.db2.gz	OMIZKAQWSNQOFA-AWEZNQCLSA-N	-1	0	324.425	0.475	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1(C(=O)[O-])CC1	ZINC001610041462	1171145874	/nfs/dbraw/zinc/14/58/74/1171145874.db2.gz	YZSFRIWIQBLHJJ-UHFFFAOYSA-N	-1	0	317.301	0.629	20	30		DCEDRM
CN1C(=O)C(=NNC(=S)NCCCC(=O)[O-])c2ccccc21	ZINC001610128251	1171165007	/nfs/dbraw/zinc/16/50/07/1171165007.db2.gz	XNAFIKLPJQSCBI-UHFFFAOYSA-N	-1	0	320.374	0.696	20	30		DCEDRM
CO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@H](C(=O)[O-])C1	ZINC001610239667	1171204872	/nfs/dbraw/zinc/20/48/72/1171204872.db2.gz	KGXKWDUOXNYYKX-SCZZXKLOSA-N	-1	0	314.319	0.404	20	30		DCEDRM
CS(=O)(=O)[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC001610373349	1171226567	/nfs/dbraw/zinc/22/65/67/1171226567.db2.gz	SRNRAPGCCZLJAF-CHWSQXEVSA-N	-1	0	308.359	0.803	20	30		DCEDRM
Cc1cc(COC(=O)Cn2cc(C(=O)[O-])nn2)ccc1C#N	ZINC001610462245	1171238558	/nfs/dbraw/zinc/23/85/58/1171238558.db2.gz	XBMDOLDPCQIPNI-UHFFFAOYSA-N	-1	0	300.274	0.900	20	30		DCEDRM
Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1cnccc1C#N	ZINC001610569955	1171257260	/nfs/dbraw/zinc/25/72/60/1171257260.db2.gz	GNRVCHZQCJTNSJ-UHFFFAOYSA-N	-1	0	313.317	0.781	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC001610594639	1171261688	/nfs/dbraw/zinc/26/16/88/1171261688.db2.gz	OFOBNYDNYFDLEL-LBPRGKRZSA-N	-1	0	305.334	0.993	20	30		DCEDRM
N#Cc1c2c(cn(CN3CCO[C@H](CC(=O)[O-])C3)c1=O)CCC2	ZINC001610623836	1171271281	/nfs/dbraw/zinc/27/12/81/1171271281.db2.gz	AWDCTAZEMGJELY-GFCCVEGCSA-N	-1	0	317.345	0.342	20	30		DCEDRM
N#CCCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC001610621975	1171271716	/nfs/dbraw/zinc/27/17/16/1171271716.db2.gz	XHTKYFMNHWZUML-GFCCVEGCSA-N	-1	0	317.301	0.285	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N[C@H](CC(=O)[O-])C2CC2)c1	ZINC001610631127	1171272238	/nfs/dbraw/zinc/27/22/38/1171272238.db2.gz	OPPYJWAJPIJJRJ-GFCCVEGCSA-N	-1	0	301.302	0.866	20	30		DCEDRM
N#Cc1cc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])ccc1F	ZINC001610626410	1171272312	/nfs/dbraw/zinc/27/23/12/1171272312.db2.gz	SSPFNFLPHJDTAV-CYBMUJFWSA-N	-1	0	305.309	0.863	20	30		DCEDRM
N#Cc1cc(O)cc(C(=O)N2CCc3[nH]nc(C(=O)[O-])c3C2)c1	ZINC001610626393	1171273044	/nfs/dbraw/zinc/27/30/44/1171273044.db2.gz	RYMKYADHCDPNSF-UHFFFAOYSA-N	-1	0	312.285	0.884	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccccc2-n2cccn2)c(C#N)c1=O	ZINC001612149093	1171360206	/nfs/dbraw/zinc/36/02/06/1171360206.db2.gz	USXYJZQXSNHTMG-UHFFFAOYSA-N	-1	0	322.328	0.743	20	30		DCEDRM
C#Cc1ccc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1	ZINC001622162399	1171419990	/nfs/dbraw/zinc/41/99/90/1171419990.db2.gz	QFISXRXBKPRULG-UHFFFAOYSA-N	-1	0	320.330	0.788	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCc1cc(=O)[nH][nH]1	ZINC001625584197	1171475484	/nfs/dbraw/zinc/47/54/84/1171475484.db2.gz	YJCUUFMZVCQZIW-UHFFFAOYSA-N	-1	0	301.306	0.353	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCOC[C@@H]1CCCO1	ZINC001629432433	1171548366	/nfs/dbraw/zinc/54/83/66/1171548366.db2.gz	DRFFNSMDQBHILC-LBPRGKRZSA-N	-1	0	305.334	0.893	20	30		DCEDRM
C#Cc1ccc(C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)nc1	ZINC001631981941	1171607183	/nfs/dbraw/zinc/60/71/83/1171607183.db2.gz	IMJWVPQTWRYVFH-UHFFFAOYSA-N	-1	0	317.326	0.668	20	30		DCEDRM
C#C[C@H](CO)NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-]	ZINC001636622339	1171743469	/nfs/dbraw/zinc/74/34/69/1171743469.db2.gz	HRUHHIMZJJSOOD-SNVBAGLBSA-N	-1	0	305.721	0.955	20	30		DCEDRM
C#CC1(O)CN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1	ZINC001636818269	1171750297	/nfs/dbraw/zinc/75/02/97/1171750297.db2.gz	CNFIPSHTQNIAMO-UHFFFAOYSA-N	-1	0	319.267	0.676	20	30		DCEDRM
CCC(C)(C)OCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001637504266	1171768586	/nfs/dbraw/zinc/76/85/86/1171768586.db2.gz	AMSIUWMVCIIPGV-UHFFFAOYSA-N	-1	0	322.365	0.532	20	30		DCEDRM
C#Cc1ccc(C(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)cn1	ZINC001645351672	1172039702	/nfs/dbraw/zinc/03/97/02/1172039702.db2.gz	RVMXWIXSEGZKBZ-UHFFFAOYSA-N	-1	0	312.329	0.887	20	30		DCEDRM
CCc1ccc2c(c1)CCN2C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001646355518	1172348992	/nfs/dbraw/zinc/34/89/92/1172348992.db2.gz	ZTLRUBIENMFXSF-UHFFFAOYSA-N	-1	0	324.340	0.972	20	30		DCEDRM
C[C@H](CCCNCC#N)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001649469430	1173144123	/nfs/dbraw/zinc/14/41/23/1173144123.db2.gz	GKMDVJGNLZYCEY-SECBINFHSA-N	-1	0	322.331	0.842	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)c2cnnn2C)n1	ZINC001649788454	1173224807	/nfs/dbraw/zinc/22/48/07/1173224807.db2.gz	VBGKCOUGLGMQML-QMMMGPOBSA-N	-1	0	305.319	0.613	20	30		DCEDRM
C[C@H](CCCNCC#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001675985825	1175409560	/nfs/dbraw/zinc/40/95/60/1175409560.db2.gz	HXWJKEQQIYJXOD-SNVBAGLBSA-N	-1	0	302.338	0.034	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@@H](C)[C@H](C)NCC#N)cc1=O	ZINC001700408504	1178609842	/nfs/dbraw/zinc/60/98/42/1178609842.db2.gz	LBWQZOYVQBITHX-RYUDHWBXSA-N	-1	0	307.398	0.381	20	30		DCEDRM
COc1cccc(C#N)c1[N-]S(=O)(=O)CS(C)(=O)=O	ZINC000231109204	1180554476	/nfs/dbraw/zinc/55/44/76/1180554476.db2.gz	VTGHNIRPUHHYJY-UHFFFAOYSA-N	-1	0	304.349	0.311	20	30		DCEDRM
CC[C@@H](CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NCC#N	ZINC001714125189	1181254806	/nfs/dbraw/zinc/25/48/06/1181254806.db2.gz	PWMVQMYYLJZRMA-QMMMGPOBSA-N	-1	0	308.304	0.451	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001718572385	1183264014	/nfs/dbraw/zinc/26/40/14/1183264014.db2.gz	YMHOCYIPUARBLS-QMMMGPOBSA-N	-1	0	323.353	0.072	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001721183903	1183858466	/nfs/dbraw/zinc/85/84/66/1183858466.db2.gz	LAOPCWSVSOFNHV-LBPRGKRZSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C=C(Cl)CN(C)CCOCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001725436979	1184824788	/nfs/dbraw/zinc/82/47/88/1184824788.db2.gz	PLHCZTDTMKHFGP-UHFFFAOYSA-N	-1	0	316.789	0.854	20	30		DCEDRM
C#CCOCCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C	ZINC001725618207	1184914772	/nfs/dbraw/zinc/91/47/72/1184914772.db2.gz	DUDQCWSCNFJIDM-RYUDHWBXSA-N	-1	0	321.381	0.019	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001731715869	1185455613	/nfs/dbraw/zinc/45/56/13/1185455613.db2.gz	GJOCHIZHFTZCDY-LBPRGKRZSA-N	-1	0	305.382	0.737	20	30		DCEDRM
N#CCNCC1(NC(=O)c2c[n-]n3c2nccc3=O)CCCC1	ZINC001732235473	1185744539	/nfs/dbraw/zinc/74/45/39/1185744539.db2.gz	JZJPSAFKXNGGBF-UHFFFAOYSA-N	-1	0	314.349	0.178	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)N(C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001733033611	1186111139	/nfs/dbraw/zinc/11/11/39/1186111139.db2.gz	NAKPBOKCFASVRG-MWLCHTKSSA-N	-1	0	323.397	0.165	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N(C)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC001734597773	1186698914	/nfs/dbraw/zinc/69/89/14/1186698914.db2.gz	HXSPGZBIVURDFP-UHFFFAOYSA-N	-1	0	321.425	0.790	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1C#N	ZINC001771608441	1188344485	/nfs/dbraw/zinc/34/44/85/1188344485.db2.gz	SEDUBQCNVZPZQD-SECBINFHSA-N	-1	0	320.374	0.731	20	30		DCEDRM
O=C(C#CC1CC1)NCC1(NC(=O)c2cn[nH]n2)CCCCC1	ZINC001756104570	1189293325	/nfs/dbraw/zinc/29/33/25/1189293325.db2.gz	PXMOFJKIYNBWRT-UHFFFAOYSA-N	-1	0	315.377	0.767	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)CCN1CCCC1=O	ZINC001771598065	1190434719	/nfs/dbraw/zinc/43/47/19/1190434719.db2.gz	SDRCPDCGOSBZMQ-UHFFFAOYSA-N	-1	0	321.358	0.376	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC([C@H]3CCCO3)CC2)c(C#N)c1=O	ZINC001772116946	1190611493	/nfs/dbraw/zinc/61/14/93/1190611493.db2.gz	FWVOCQFMNCFVBZ-GFCCVEGCSA-N	-1	0	304.350	0.341	20	30		DCEDRM
COCCN(c1[n-]c(=O)n(C)c(=O)c1C#N)[C@H]1CC[C@H](C)C1	ZINC001772117585	1190611509	/nfs/dbraw/zinc/61/15/09/1190611509.db2.gz	PIKXNLFIKHUKFV-QWRGUYRKSA-N	-1	0	306.366	0.587	20	30		DCEDRM
C[C@H](C[C@H](C)NC(=O)c1cn[nH]n1)Nc1cncc(C#N)n1	ZINC001089509151	751422315	/nfs/dbraw/zinc/42/23/15/751422315.db2.gz	RVPYAUJQXDVUAD-BDAKNGLRSA-N	-1	0	300.326	0.475	20	30		DCEDRM
N#Cc1cc2nc(Cl)c(N[C@@H]3CO[N-]C3=O)nc2cc1C#N	ZINC001167515620	747352019	/nfs/dbraw/zinc/35/20/19/747352019.db2.gz	CVNLDGWKDFNNJL-SNVBAGLBSA-N	-1	0	314.692	0.868	20	30		DCEDRM
C=C(C)C(=O)NCCCNc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001167669531	747477232	/nfs/dbraw/zinc/47/72/32/747477232.db2.gz	IJEKQWJBANOTQW-UHFFFAOYSA-N	-1	0	323.374	0.613	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CNc2ccc(C#N)nn2)c1[O-]	ZINC001107688190	752220855	/nfs/dbraw/zinc/22/08/55/752220855.db2.gz	CQWSSASMLBKWIY-SSDOTTSWSA-N	-1	0	301.310	0.316	20	30		DCEDRM
C[C@H]1[C@H](Nc2cccc(CC#N)c2F)C(=O)N1S(=O)(=O)[O-]	ZINC001167858999	748442440	/nfs/dbraw/zinc/44/24/40/748442440.db2.gz	NOMVQYLSXYNJRY-CPCISQLKSA-N	-1	0	313.310	0.706	20	30		DCEDRM
C[C@H]1[C@H](Nc2ccc3c(C#N)c[nH]c3c2)C(=O)N1S(=O)(=O)[O-]	ZINC001167861171	748444836	/nfs/dbraw/zinc/44/48/36/748444836.db2.gz	LOBYFAQXPVWTFI-MADCSZMMSA-N	-1	0	320.330	0.854	20	30		DCEDRM
C=CCCC(=O)N[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1C	ZINC001071914454	762224455	/nfs/dbraw/zinc/22/44/55/762224455.db2.gz	QWHQWEWRAMSBOC-ONGXEEELSA-N	-1	0	306.366	0.967	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)N(C)c2ccnc(C#N)n2)c1[O-]	ZINC001113551680	762380939	/nfs/dbraw/zinc/38/09/39/762380939.db2.gz	MLRYCEQICCMGSG-QMMMGPOBSA-N	-1	0	315.337	0.340	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)c2cnc(C#N)cn2)c1[O-]	ZINC001113551863	762381445	/nfs/dbraw/zinc/38/14/45/762381445.db2.gz	POCZJKDGJPONDG-MRVPVSSYSA-N	-1	0	315.337	0.340	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C=Cc2cccnc2)c(=O)[n-]c1=O	ZINC001148392744	767970778	/nfs/dbraw/zinc/97/07/78/767970778.db2.gz	GWLQRLPSLMRMBG-ARJAWSKDSA-N	-1	0	311.301	0.045	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CN(C)c2ccnc(C#N)n2)c1[O-]	ZINC001108901731	761129290	/nfs/dbraw/zinc/12/92/90/761129290.db2.gz	QEJLIBDXVBKJSQ-MRVPVSSYSA-N	-1	0	315.337	0.340	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)c2ncccc2C#N)c1[O-]	ZINC001108901714	761129895	/nfs/dbraw/zinc/12/98/95/761129895.db2.gz	PUOCSXHGSFKJPQ-VIFPVBQESA-N	-1	0	314.349	0.945	20	30		DCEDRM
CC[C@H](O)Cn1cc(C(=O)Nc2cc(C#N)ccc2[O-])nn1	ZINC001137934476	763398328	/nfs/dbraw/zinc/39/83/28/763398328.db2.gz	ZDJJNNHUBDUHPP-JTQLQIEISA-N	-1	0	301.306	0.879	20	30		DCEDRM
COCC#CCN1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])CC[C@@H]1C	ZINC001131961530	764162352	/nfs/dbraw/zinc/16/23/52/764162352.db2.gz	WRABFWARZLKKJL-WCQYABFASA-N	-1	0	320.393	0.656	20	30		DCEDRM
COCC#CCN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CC[C@@H]1C	ZINC001131961528	764162635	/nfs/dbraw/zinc/16/26/35/764162635.db2.gz	WRABFWARZLKKJL-AAEUAGOBSA-N	-1	0	320.393	0.656	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2n[nH]c3ccccc32)c(=O)[n-]c1=O	ZINC001135217254	765845282	/nfs/dbraw/zinc/84/52/82/765845282.db2.gz	XTNAWOJMVNGZEC-UHFFFAOYSA-N	-1	0	324.300	0.726	20	30		DCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)CCCC#N)c(C(F)(F)F)n1	ZINC001116475941	765875093	/nfs/dbraw/zinc/87/50/93/765875093.db2.gz	IHVYYMGJBRWNMA-UHFFFAOYSA-N	-1	0	324.284	0.802	20	30		DCEDRM
C[C@H](C[C@H](C)NC(=O)c1ccc2oc(=O)nc-2[n-]1)NCC#N	ZINC001135934231	766175322	/nfs/dbraw/zinc/17/53/22/766175322.db2.gz	FHRRNQOXLBXFTB-BDAKNGLRSA-N	-1	0	303.322	0.938	20	30		DCEDRM
C=CCCOCC(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1	ZINC001119581119	766737668	/nfs/dbraw/zinc/73/76/68/766737668.db2.gz	WVPIXHQQSORUKR-FQEVSTJZSA-N	-1	0	303.380	0.403	20	30		DCEDRM
N#CCN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CCCC1	ZINC001147251886	767684600	/nfs/dbraw/zinc/68/46/00/767684600.db2.gz	ZIHFBEGBEPYRJG-UHFFFAOYSA-N	-1	0	311.349	0.983	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C(F)F)n(C)n1	ZINC001122442934	767803398	/nfs/dbraw/zinc/80/33/98/767803398.db2.gz	XPRXXDMEXCVXBA-MRVPVSSYSA-N	-1	0	314.292	0.833	20	30		DCEDRM
Cc1ccc(C(=O)C=CC(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC001139477819	768476887	/nfs/dbraw/zinc/47/68/87/768476887.db2.gz	XSFBJPQLEZVDPA-SREVYHEPSA-N	-1	0	301.302	0.769	20	30		DCEDRM
CC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001143036540	768682346	/nfs/dbraw/zinc/68/23/46/768682346.db2.gz	ONQLNTOTMGMSJP-SKDRFNHKSA-N	-1	0	307.281	0.323	20	30		DCEDRM
COC(=O)c1n[n-]c(C(=O)OC)c1OC1=C(C)O[C@H](C)C1=O	ZINC001234191139	769579349	/nfs/dbraw/zinc/57/93/49/769579349.db2.gz	WWVDJRHSJWBQPU-RXMQYKEDSA-N	-1	0	310.262	0.581	20	30		DCEDRM
C=C[C@H](Oc1[n-]c(=O)nc2ccc(C(N)=O)cc21)C(=O)OC	ZINC001234515093	769680608	/nfs/dbraw/zinc/68/06/08/769680608.db2.gz	DHUBVPYOXIKGSH-JTQLQIEISA-N	-1	0	303.274	0.541	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NCCCCC2CC2)c(=O)[n-]c1=O	ZINC001234591908	769699235	/nfs/dbraw/zinc/69/92/35/769699235.db2.gz	LIACNSBDALURAW-UHFFFAOYSA-N	-1	0	319.365	0.700	20	30		DCEDRM
C=C(C)C[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC001175923112	769992078	/nfs/dbraw/zinc/99/20/78/769992078.db2.gz	KHGCYWWTMAOHEM-SECBINFHSA-N	-1	0	314.363	0.097	20	30		DCEDRM
N#Cc1ccc(O[C@@H]2CCCN(C(=O)Cc3nnn[n-]3)C2)cc1	ZINC001176842793	770189047	/nfs/dbraw/zinc/18/90/47/770189047.db2.gz	SJLOPZCPIPPPIN-CYBMUJFWSA-N	-1	0	312.333	0.684	20	30		DCEDRM
CC(=O)N1CCN(CC(=O)Nc2cc(C#N)c(F)cc2[O-])CC1	ZINC001179033801	770938199	/nfs/dbraw/zinc/93/81/99/770938199.db2.gz	KBUHPQFCQRUCJN-UHFFFAOYSA-N	-1	0	320.324	0.506	20	30		DCEDRM
COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)C#N)cc1	ZINC001179894232	771029200	/nfs/dbraw/zinc/02/92/00/771029200.db2.gz	KBKYLJHVFLZYMK-MRVPVSSYSA-N	-1	0	311.319	0.829	20	30		DCEDRM
COc1ccc(C#CC(=O)n2[n-]c3ccnc(=O)c-3c2N)cc1	ZINC001182050659	771399901	/nfs/dbraw/zinc/39/99/01/771399901.db2.gz	NSNMXRXRZJWRKV-UHFFFAOYSA-N	-1	0	308.297	0.959	20	30		DCEDRM
C[C@H]1[C@H](Nc2ccc3c(C#N)c[nH]c3n2)C(=O)N1S(=O)(=O)[O-]	ZINC001157071489	771526967	/nfs/dbraw/zinc/52/69/67/771526967.db2.gz	VAKXYGVAQXMPNK-WKEGUHRASA-N	-1	0	321.318	0.249	20	30		DCEDRM
CS(=O)(=O)N1CC(C(=O)Nc2cc(C#N)c(F)cc2[O-])C1	ZINC001183024475	771598667	/nfs/dbraw/zinc/59/86/67/771598667.db2.gz	SEILLWHAMNKIJK-UHFFFAOYSA-N	-1	0	313.310	0.233	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1ncc([N+](=O)[O-])c(OC)n1	ZINC001158967161	771840131	/nfs/dbraw/zinc/84/01/31/771840131.db2.gz	JKTXJICRPHYLMN-UHFFFAOYSA-N	-1	0	319.237	0.820	20	30		DCEDRM
COc1ccc(S(=O)(=O)NCC2(C#N)CC2)cc1C(=O)[O-]	ZINC001185326580	771905581	/nfs/dbraw/zinc/90/55/81/771905581.db2.gz	PVGJDWYVUBJRTJ-UHFFFAOYSA-N	-1	0	310.331	0.975	20	30		DCEDRM
C[C@H](Cc1ccc(O)c(O)c1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001186079632	771991847	/nfs/dbraw/zinc/99/18/47/771991847.db2.gz	LKWSZKDOWHAIQY-MRVPVSSYSA-N	-1	0	316.317	0.400	20	30		DCEDRM
N#Cc1cnn2c1ncc(C#N)c2[N-]S(=O)(=O)C1CCC1	ZINC001188104398	772266528	/nfs/dbraw/zinc/26/65/28/772266528.db2.gz	CKDCWUQJWZZQOU-UHFFFAOYSA-N	-1	0	302.319	0.767	20	30		DCEDRM
C=CCOCCCC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001189574231	772499997	/nfs/dbraw/zinc/49/99/97/772499997.db2.gz	KEEFLHGEAFWVID-LBPRGKRZSA-N	-1	0	323.397	0.526	20	30		DCEDRM
C=CCOC(=O)N1CCN(S(=O)(=O)c2ncc[n-]2)CC1	ZINC001190715853	772661305	/nfs/dbraw/zinc/66/13/05/772661305.db2.gz	LFHBEGLGANNSDQ-UHFFFAOYSA-N	-1	0	300.340	0.039	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1ccc2c3c1cccc3C(=O)NC2=O	ZINC001192982764	772983594	/nfs/dbraw/zinc/98/35/94/772983594.db2.gz	WXLAQQYPYMVZQZ-UHFFFAOYSA-N	-1	0	315.310	0.989	20	30		DCEDRM
COC(=O)C1([N-]S(=O)(=O)[C@@H](C)C#N)Cc2ccccc2C1	ZINC001193097468	773004518	/nfs/dbraw/zinc/00/45/18/773004518.db2.gz	MGWBTFGBDRPIIU-JTQLQIEISA-N	-1	0	308.359	0.528	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1c(C#N)cnn1-c1ccccn1	ZINC001193105676	773005766	/nfs/dbraw/zinc/00/57/66/773005766.db2.gz	ZQUUXIYPDCZFGQ-VIFPVBQESA-N	-1	0	302.319	0.793	20	30		DCEDRM
COC(=O)[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193096869	773013015	/nfs/dbraw/zinc/01/30/15/773013015.db2.gz	BURWTLCNBRBVII-IUCAKERBSA-N	-1	0	320.367	0.091	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1S(=O)(=O)N(C)C	ZINC001193145685	773017806	/nfs/dbraw/zinc/01/78/06/773017806.db2.gz	AGTSGQCHVAHYTG-VIFPVBQESA-N	-1	0	317.392	0.591	20	30		DCEDRM
CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193518689	773077252	/nfs/dbraw/zinc/07/72/52/773077252.db2.gz	FANANBNLEUMPDC-OLZOCXBDSA-N	-1	0	318.329	0.962	20	30		DCEDRM
COc1ccc(C#N)c(S(=O)(=O)[N-]c2cnn(CCO)c2)c1	ZINC001193645066	773094790	/nfs/dbraw/zinc/09/47/90/773094790.db2.gz	VZGKFKPIEBVQPW-UHFFFAOYSA-N	-1	0	322.346	0.556	20	30		DCEDRM
O=C(NCS(=O)(=O)[O-])c1ccc(C#CBr)cc1	ZINC001194817194	773265883	/nfs/dbraw/zinc/26/58/83/773265883.db2.gz	FWMUJYQWBPQCMB-UHFFFAOYSA-N	-1	0	318.148	0.966	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)Cc1cccnc1	ZINC001197487463	773752970	/nfs/dbraw/zinc/75/29/70/773752970.db2.gz	YYCIFBOHFXKWHT-UHFFFAOYSA-N	-1	0	321.318	0.706	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1nnc(C)s1	ZINC001223340325	775483780	/nfs/dbraw/zinc/48/37/80/775483780.db2.gz	AZPQYUDPHLYDAR-VIFPVBQESA-N	-1	0	308.381	0.822	20	30		DCEDRM
COC(=O)CN1C[C@H](Oc2[n-]c(=O)cc(C)c2C#N)CC1=O	ZINC001226222358	775784322	/nfs/dbraw/zinc/78/43/22/775784322.db2.gz	YTDWAKOPQDKSDM-SECBINFHSA-N	-1	0	305.290	0.120	20	30		DCEDRM
C=CCOCCCC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001226769170	775875237	/nfs/dbraw/zinc/87/52/37/775875237.db2.gz	FINUOLKCSCYHCY-UHFFFAOYSA-N	-1	0	323.397	0.574	20	30		DCEDRM
C#CCCCCC(=O)NC1CCN(Cc2nc(=O)n(C)[nH]2)CC1	ZINC001226951531	775901531	/nfs/dbraw/zinc/90/15/31/775901531.db2.gz	CYTIKBBPNWXYEM-UHFFFAOYSA-N	-1	0	319.409	0.383	20	30		DCEDRM
C#CCC1(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCC1	ZINC001227754390	776004187	/nfs/dbraw/zinc/00/41/87/776004187.db2.gz	LLHQLEXMSZRYNY-UHFFFAOYSA-N	-1	0	317.393	0.785	20	30		DCEDRM
N#Cc1ccc(=O)[n-]c1OC[C@H]1COCCOCCOCCO1	ZINC001228903256	776137059	/nfs/dbraw/zinc/13/70/59/776137059.db2.gz	WIVNYDGUMWUBCZ-CYBMUJFWSA-N	-1	0	324.333	0.486	20	30		DCEDRM
C#CCOC1CCN(S(=O)(=O)[C@H]2CCC[C@H]2C(=O)[O-])CC1	ZINC001465107513	804090253	/nfs/dbraw/zinc/09/02/53/804090253.db2.gz	RQEWIPNJOYFSTB-OLZOCXBDSA-N	-1	0	315.391	0.684	20	30		DCEDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@](C)(C#N)C1	ZINC001600834585	1168479196	/nfs/dbraw/zinc/47/91/96/1168479196.db2.gz	WUAHAPKDESUCPK-LBPRGKRZSA-N	-1	0	314.319	0.589	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(C2CCOCC2)C1=O	ZINC001602781840	1169182679	/nfs/dbraw/zinc/18/26/79/1169182679.db2.gz	DEQUIINJSCXNGG-LBPRGKRZSA-N	-1	0	310.350	0.304	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@H](C)CN(C)CC#N)cc1=O	ZINC001268739440	940346548	/nfs/dbraw/zinc/34/65/48/940346548.db2.gz	ZKKYFLWSLQXDCU-GFCCVEGCSA-N	-1	0	307.398	0.335	20	30		DCEDRM
CC#CCN1CC[C@@H]1CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001269260559	940665662	/nfs/dbraw/zinc/66/56/62/940665662.db2.gz	GYIVCWFYOVARQY-OAHLLOKOSA-N	-1	0	318.421	0.589	20	30		DCEDRM
COC(=O)c1cccc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001610981374	970824408	/nfs/dbraw/zinc/82/44/08/970824408.db2.gz	AIRRYQADIJWTOX-CQSZACIVSA-N	-1	0	306.274	0.916	20	30		DCEDRM
CC(C)(C)CC[C@@H](CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412887668	942125295	/nfs/dbraw/zinc/12/52/95/942125295.db2.gz	FNRTVSHKEINBOK-NSHDSACASA-N	-1	0	322.365	0.124	20	30		DCEDRM
CC(C)(C)CC[C@H](CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412887662	942125538	/nfs/dbraw/zinc/12/55/38/942125538.db2.gz	FNRTVSHKEINBOK-LLVKDONJSA-N	-1	0	322.365	0.124	20	30		DCEDRM
COC(=O)C[C@H]1COCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001413039075	942224428	/nfs/dbraw/zinc/22/44/28/942224428.db2.gz	GUFSXYVKLMHGBV-NSHDSACASA-N	-1	0	319.317	0.371	20	30		DCEDRM
C=C(C)CN1C[C@@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O	ZINC001272287603	942665921	/nfs/dbraw/zinc/66/59/21/942665921.db2.gz	XQFBTOGXUBHPGS-HNNXBMFYSA-N	-1	0	320.349	0.135	20	30		DCEDRM
C=CCN1CC[C@@]2(CCCN2C(=O)c2cc(=O)n(C)[n-]2)C1=O	ZINC001272355771	942710509	/nfs/dbraw/zinc/71/05/09/942710509.db2.gz	YXSZOTTUBZFEKA-HNNXBMFYSA-N	-1	0	304.350	0.519	20	30		DCEDRM
N#CCNCC[C@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001272617022	942869960	/nfs/dbraw/zinc/86/99/60/942869960.db2.gz	RYHRYVFSHZIFMX-JTQLQIEISA-N	-1	0	315.333	0.894	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)ccc1F	ZINC001413384653	942943171	/nfs/dbraw/zinc/94/31/71/942943171.db2.gz	BUOCAAITZYZADE-LLVKDONJSA-N	-1	0	302.269	0.424	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)Cc1cn(C)nn1	ZINC001413515078	943037395	/nfs/dbraw/zinc/03/73/95/943037395.db2.gz	PRRJFFIGHSRVMT-SECBINFHSA-N	-1	0	300.322	0.457	20	30		DCEDRM
CC1(C)CO[C@@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001413531789	943049854	/nfs/dbraw/zinc/04/98/54/943049854.db2.gz	QBWWHYPECSVBAZ-LLVKDONJSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C#CCN(C(=O)CCCF)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001483985804	943071255	/nfs/dbraw/zinc/07/12/55/943071255.db2.gz	KAIQFNGSNCITIY-UHFFFAOYSA-N	-1	0	323.372	0.686	20	30		DCEDRM
C=C(C)CN1C(=O)COCC12CN(Cc1ccc(C(=O)[O-])o1)C2	ZINC001272764178	944216027	/nfs/dbraw/zinc/21/60/27/944216027.db2.gz	PDQCEUMIQROIOP-UHFFFAOYSA-N	-1	0	320.345	0.967	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCn3cc(C(N)=O)nc3C2)c([O-])c1	ZINC001276864827	944334453	/nfs/dbraw/zinc/33/44/53/944334453.db2.gz	KJFSZDZBTXPTGR-UHFFFAOYSA-N	-1	0	311.301	0.215	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCCNC(=O)N(C)C)cc1C#N	ZINC001319940191	945698962	/nfs/dbraw/zinc/69/89/62/945698962.db2.gz	QIJBJQIEYOSVBF-UHFFFAOYSA-N	-1	0	323.378	0.382	20	30		DCEDRM
C=CCC[C@@H](O)CNc1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001252613393	945971358	/nfs/dbraw/zinc/97/13/58/945971358.db2.gz	YBGGDAFDRFKUKF-LLVKDONJSA-N	-1	0	313.379	0.783	20	30		DCEDRM
C=CC[C@H](NC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)[O-]	ZINC001321167381	946197907	/nfs/dbraw/zinc/19/79/07/946197907.db2.gz	VUNNWRCIKRPURV-JTQLQIEISA-N	-1	0	303.318	0.486	20	30		DCEDRM
N#CCOc1ccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cc1	ZINC001321781785	946458425	/nfs/dbraw/zinc/45/84/25/946458425.db2.gz	CZBJQWAZZOZCAM-NSHDSACASA-N	-1	0	319.317	0.612	20	30		DCEDRM
C#CCC1(O)CCN(C(=O)C2(C(=O)[O-])CCSCC2)CC1	ZINC001602674941	971244892	/nfs/dbraw/zinc/24/48/92/971244892.db2.gz	GKPWFOUCZKYCMY-UHFFFAOYSA-N	-1	0	311.403	0.961	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1nc(C(F)(F)F)co1	ZINC001602679391	971260112	/nfs/dbraw/zinc/26/01/12/971260112.db2.gz	OYQBSWDBZLLTNC-UHFFFAOYSA-N	-1	0	319.195	0.178	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1	ZINC001602684049	971277987	/nfs/dbraw/zinc/27/79/87/971277987.db2.gz	OWQSWOYCTUSPOR-GHMZBOCLSA-N	-1	0	316.379	0.072	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(C)c(NS(C)(=O)=O)c1	ZINC001602691309	971294727	/nfs/dbraw/zinc/29/47/27/971294727.db2.gz	GHOLLVRMLXKDGY-UHFFFAOYSA-N	-1	0	324.358	0.527	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N[C@@H]2C(=O)N(O)C[C@@H]2C)cc1F	ZINC001259481902	946961802	/nfs/dbraw/zinc/96/18/02/946961802.db2.gz	BYBICAKTYKZERR-KWQFWETISA-N	-1	0	302.327	0.649	20	30		DCEDRM
N#CCN1CCC(NC(=O)C(=O)[N-]OCc2ccccc2)CC1	ZINC001323266521	947009977	/nfs/dbraw/zinc/00/99/77/947009977.db2.gz	YKNIMIHRFSPEBR-UHFFFAOYSA-N	-1	0	316.361	0.339	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cc[nH]n2)n1CC(C)C	ZINC001602699421	971317034	/nfs/dbraw/zinc/31/70/34/971317034.db2.gz	RUYPZQSKSFCDQH-UHFFFAOYSA-N	-1	0	302.338	0.848	20	30		DCEDRM
C=C(C)Cn1c([C@@H](C)O)nnc1N1CC[C@](COC)(C(=O)[O-])C1	ZINC001602712234	971354157	/nfs/dbraw/zinc/35/41/57/971354157.db2.gz	KUUVTGKQRHFLLI-ABAIWWIYSA-N	-1	0	324.381	0.835	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602718857	971378322	/nfs/dbraw/zinc/37/83/22/971378322.db2.gz	XBYCGKLSPQXVSI-OOLXCHQQSA-N	-1	0	312.366	0.635	20	30		DCEDRM
N#CCCCCS(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1	ZINC001324493434	947439691	/nfs/dbraw/zinc/43/96/91/947439691.db2.gz	RSRWZECYACFHKO-MNOVXSKESA-N	-1	0	304.368	0.168	20	30		DCEDRM
C=CCN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)[C@@H](C)COC	ZINC001602721988	971384869	/nfs/dbraw/zinc/38/48/69/971384869.db2.gz	MPSTZUDYQMUFPE-RYUDHWBXSA-N	-1	0	312.366	0.359	20	30		DCEDRM
C=CCOC[C@H]1NC(=O)N(c2cccc(CC(=O)[O-])c2)C1=O	ZINC001602723036	971392403	/nfs/dbraw/zinc/39/24/03/971392403.db2.gz	JDZBVEOKHWMTTL-GFCCVEGCSA-N	-1	0	304.302	0.941	20	30		DCEDRM
C#CCN(C(=O)c1ccc(O)cc1O)[C@@H]1CCS(=O)(=O)C1	ZINC001325075995	947638001	/nfs/dbraw/zinc/63/80/01/947638001.db2.gz	FFJFRSHDDCKONF-SNVBAGLBSA-N	-1	0	309.343	0.360	20	30		DCEDRM
C=CC[C@@H](NC(=O)C1CCN(S(=O)(=O)CC)CC1)C(=O)[O-]	ZINC000150338379	947863445	/nfs/dbraw/zinc/86/34/45/947863445.db2.gz	LMUQIPXAHWCDAH-LLVKDONJSA-N	-1	0	318.395	0.194	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1	ZINC001326535427	948191189	/nfs/dbraw/zinc/19/11/89/948191189.db2.gz	SEVIROCFAGRCEP-QWRGUYRKSA-N	-1	0	308.338	0.480	20	30		DCEDRM
N#Cc1ncc(N2C[C@@]3(CCCO3)[C@@H]2C2CC2)nc1-c1nnn[n-]1	ZINC001570923205	948656351	/nfs/dbraw/zinc/65/63/51/948656351.db2.gz	VOMWVIRDRBFBHQ-ZFWWWQNUSA-N	-1	0	324.348	0.676	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)Cc2occc2C)n1	ZINC001264028020	948841591	/nfs/dbraw/zinc/84/15/91/948841591.db2.gz	GXTRYKUZZASVPQ-UHFFFAOYSA-N	-1	0	314.345	0.665	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1	ZINC001602778715	971512537	/nfs/dbraw/zinc/51/25/37/971512537.db2.gz	LSJOUPDPQULXAM-BCMRRPTOSA-N	-1	0	308.256	0.763	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC001602779119	971514410	/nfs/dbraw/zinc/51/44/10/971514410.db2.gz	RWTCEIHPNUNIGL-GBIKHYSHSA-N	-1	0	314.363	0.169	20	30		DCEDRM
CN(C[C@@H]1CCN1CC#N)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001264380524	948948646	/nfs/dbraw/zinc/94/86/46/948948646.db2.gz	LEGWHWVLARQAOC-VIFPVBQESA-N	-1	0	320.315	0.500	20	30		DCEDRM
CC(C)(C)N(CC(N)=O)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364653116	949708112	/nfs/dbraw/zinc/70/81/12/949708112.db2.gz	YHVNSYABLUQVPH-UHFFFAOYSA-N	-1	0	302.338	0.392	20	30		DCEDRM
COC(=O)[C@H]1[C@@H]2CN(Cc3cc(=O)n4[n-]cc(C#N)c4n3)C[C@@H]21	ZINC001364713723	949794419	/nfs/dbraw/zinc/79/44/19/949794419.db2.gz	QCCFFCYAYYPJCP-PJXYFTJBSA-N	-1	0	313.317	0.157	20	30		DCEDRM
CC(C)(C)[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCO1	ZINC001573825899	949895520	/nfs/dbraw/zinc/89/55/20/949895520.db2.gz	CEDNUVROHDJQOM-SNVBAGLBSA-N	-1	0	314.353	0.780	20	30		DCEDRM
O=C([O-])[C@]1(C(=O)N2CCC3(CC2)CC(=O)C=CO3)CCCO1	ZINC001595280292	949975296	/nfs/dbraw/zinc/97/52/96/949975296.db2.gz	WXPSWCNJWKFBIY-OAHLLOKOSA-N	-1	0	309.318	0.485	20	30		DCEDRM
C=C(Cl)CN(C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001265883973	950088669	/nfs/dbraw/zinc/08/86/69/950088669.db2.gz	GKUVCDSFCZBVMQ-UHFFFAOYSA-N	-1	0	301.734	0.087	20	30		DCEDRM
CCN(CCC(=O)NC)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001365065083	950446148	/nfs/dbraw/zinc/44/61/48/950446148.db2.gz	DPDJOGISMCPCMQ-UHFFFAOYSA-N	-1	0	322.390	0.979	20	30		DCEDRM
Cc1ncc2c(n1)CCC[C@@H]2Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365215964	950752499	/nfs/dbraw/zinc/75/24/99/950752499.db2.gz	RLCQIOOOLMYHGK-LBPRGKRZSA-N	-1	0	312.333	0.533	20	30		DCEDRM
Cc1cccc(C[C@H](CO)Nc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001365220673	950759470	/nfs/dbraw/zinc/75/94/70/950759470.db2.gz	FJHAFOYUIYHIJR-GFCCVEGCSA-N	-1	0	314.345	0.269	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC2(O)CCC(F)(F)CC2)c(C#N)c1=O	ZINC001365238295	950790239	/nfs/dbraw/zinc/79/02/39/950790239.db2.gz	ORCBYUBBLISABH-UHFFFAOYSA-N	-1	0	314.292	0.298	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001280345163	950820530	/nfs/dbraw/zinc/82/05/30/950820530.db2.gz	KMGZNRNGPRYNLO-HTQZYQBOSA-N	-1	0	323.353	0.118	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2nnc(C(F)(F)F)s2)c1=O	ZINC001365262088	950835784	/nfs/dbraw/zinc/83/57/84/950835784.db2.gz	YTXDXSLJEHFCIG-UHFFFAOYSA-N	-1	0	303.225	0.327	20	30		DCEDRM
CCOC(=O)[C@@]1(C)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC001590179357	950867835	/nfs/dbraw/zinc/86/78/35/950867835.db2.gz	YQCMORBIGKJAPZ-UONOGXRCSA-N	-1	0	312.322	0.172	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NCC2CCCC2)c(=O)[n-]c1=O	ZINC001365312344	950937229	/nfs/dbraw/zinc/93/72/29/950937229.db2.gz	MFMJRAOOPDTZGR-UHFFFAOYSA-N	-1	0	305.338	0.310	20	30		DCEDRM
CCOC(=O)c1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])on1	ZINC001591091768	951056946	/nfs/dbraw/zinc/05/69/46/951056946.db2.gz	CPVPEFRPRDNXAL-CYBMUJFWSA-N	-1	0	309.278	0.472	20	30		DCEDRM
C=CCCS(=O)(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-]	ZINC001332215809	951525587	/nfs/dbraw/zinc/52/55/87/951525587.db2.gz	UULRZECYXMSFRS-SECBINFHSA-N	-1	0	307.759	0.485	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C	ZINC001332627862	951728338	/nfs/dbraw/zinc/72/83/38/951728338.db2.gz	LJPGZJMFIKWWLR-GHMZBOCLSA-N	-1	0	322.365	0.875	20	30		DCEDRM
NC(=O)c1noc2c1CN(C(=O)CCC(=O)C1=CC=C[CH]1)CC2	ZINC001274662266	951774410	/nfs/dbraw/zinc/77/44/10/951774410.db2.gz	VXIAMIKARDLWRL-UHFFFAOYSA-N	-1	0	314.321	0.708	20	30		DCEDRM
NC(=O)[C@@H]1CCSC12CN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001274662460	951775933	/nfs/dbraw/zinc/77/59/33/951775933.db2.gz	YQJNUPDYFURNEC-LBPRGKRZSA-N	-1	0	319.406	0.856	20	30		DCEDRM
N#C[C@@H]1CCC[C@@H](OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001411439677	952145916	/nfs/dbraw/zinc/14/59/16/952145916.db2.gz	JKSKFCJSGULRNY-NXEZZACHSA-N	-1	0	301.306	0.697	20	30		DCEDRM
C=CCN1CC[C@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O	ZINC001275461932	952165346	/nfs/dbraw/zinc/16/53/46/952165346.db2.gz	PFAWDUTXOMJSAO-CYBMUJFWSA-N	-1	0	310.379	0.351	20	30		DCEDRM
C=C(C)CN1CC[C@@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O	ZINC001275464162	952167286	/nfs/dbraw/zinc/16/72/86/952167286.db2.gz	DNUUUGHFTPVPES-AWEZNQCLSA-N	-1	0	324.406	0.741	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)N(C)CC(=O)OCC	ZINC001334333643	952289177	/nfs/dbraw/zinc/28/91/77/952289177.db2.gz	RKKNMNOWDMVMOV-UHFFFAOYSA-N	-1	0	304.368	0.036	20	30		DCEDRM
Cc1ccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001411662855	952365970	/nfs/dbraw/zinc/36/59/70/952365970.db2.gz	FIBWSPRDQMFEOM-UHFFFAOYSA-N	-1	0	304.331	0.507	20	30		DCEDRM
C=CCOCC(=O)N[C@@H](C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001334971155	952426916	/nfs/dbraw/zinc/42/69/16/952426916.db2.gz	OXBKUHPNZJUJDY-VIFPVBQESA-N	-1	0	322.365	0.203	20	30		DCEDRM
N#CCC1CN(C(=O)[C@@]23C[C@@H]2CCN3C(=O)c2cc(=O)[nH][n-]2)C1	ZINC001276024997	952628851	/nfs/dbraw/zinc/62/88/51/952628851.db2.gz	IYFLCCQTQCIQFA-ZUZCIYMTSA-N	-1	0	315.333	0.092	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCc3cc(F)ccc32)c(=O)[n-]c1=O	ZINC001412069164	952630405	/nfs/dbraw/zinc/63/04/05/952630405.db2.gz	UKXNYDFHAPFHHA-UHFFFAOYSA-N	-1	0	314.276	0.549	20	30		DCEDRM
COCc1cnc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001412122438	952654622	/nfs/dbraw/zinc/65/46/22/952654622.db2.gz	VNJSDQFTCOFOMS-UHFFFAOYSA-N	-1	0	321.318	0.062	20	30		DCEDRM
CO[C@@H](CNC(=O)c1[n-]c(=O)c(C#N)cc1C)[C@H]1CCOC1	ZINC001412329575	952751848	/nfs/dbraw/zinc/75/18/48/952751848.db2.gz	VJYJBXFUIXGYCW-JQWIXIFHSA-N	-1	0	305.334	0.749	20	30		DCEDRM
Cc1cc(C)c(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001412377007	952768800	/nfs/dbraw/zinc/76/88/00/952768800.db2.gz	ZWMKCQMLBGQBMI-UHFFFAOYSA-N	-1	0	318.358	0.929	20	30		DCEDRM
C#CCCCC(=O)N(C)C[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001337133600	952815796	/nfs/dbraw/zinc/81/57/96/952815796.db2.gz	GVWUNSVSGJFJSI-JTQLQIEISA-N	-1	0	306.366	0.804	20	30		DCEDRM
C=CCN(CCc1ccco1)c1nnc(-c2cc(=O)[nH][n-]2)n1C	ZINC001338236671	952982215	/nfs/dbraw/zinc/98/22/15/952982215.db2.gz	LZMBBVJBBFFHRZ-UHFFFAOYSA-N	-1	0	314.349	0.867	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2CCCCS2)c(=O)[n-]c1=O	ZINC001412730855	953027512	/nfs/dbraw/zinc/02/75/12/953027512.db2.gz	OVGARYSKKVONNH-JTQLQIEISA-N	-1	0	308.363	0.222	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-]	ZINC001339861923	953125212	/nfs/dbraw/zinc/12/52/12/953125212.db2.gz	LNBFMEUSDULIBR-IUCAKERBSA-N	-1	0	306.384	0.096	20	30		DCEDRM
Cc1c(C([O-])=C(C#N)C(=O)NC2CC2)nnn1Cc1ccncc1	ZINC001341919541	953259338	/nfs/dbraw/zinc/25/93/38/953259338.db2.gz	COLWYWANUHNTLY-ZDUSSCGKSA-N	-1	0	324.344	0.631	20	30		DCEDRM
CC(=O)N1CCC[C@H](C(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC001342644823	953299918	/nfs/dbraw/zinc/29/99/18/953299918.db2.gz	YPJZKONOWRNXHZ-NWDGAFQWSA-N	-1	0	302.334	0.570	20	30		DCEDRM
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(C)(C)C(=O)[O-]	ZINC001589407824	954477863	/nfs/dbraw/zinc/47/78/63/954477863.db2.gz	XHRICBYRWUEEKH-SNVBAGLBSA-N	-1	0	317.349	0.496	20	30		DCEDRM
COC(=O)C1(C#N)CCN(Cc2cc(C(=O)[O-])nn2C)CC1	ZINC001593812668	954961589	/nfs/dbraw/zinc/96/15/89/954961589.db2.gz	IGCPRPBUXNWNJP-UHFFFAOYSA-N	-1	0	306.322	0.397	20	30		DCEDRM
C=CC[C@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)[O-]	ZINC001350007311	954963569	/nfs/dbraw/zinc/96/35/69/954963569.db2.gz	WKUTVLMOCLFLJX-JTQLQIEISA-N	-1	0	318.395	0.530	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)C#CC2CC2)c1[O-]	ZINC001285223831	955529744	/nfs/dbraw/zinc/52/97/44/955529744.db2.gz	ZWQLYWLIKXHMGD-SECBINFHSA-N	-1	0	304.350	0.319	20	30		DCEDRM
Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)CSCC#N)C2)cn1	ZINC001594538672	955606670	/nfs/dbraw/zinc/60/66/70/955606670.db2.gz	GBGKEXKEUSAKDK-MNOVXSKESA-N	-1	0	322.390	0.694	20	30		DCEDRM
Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3cncc(C#N)n3)C2)cn1	ZINC001594539782	955624989	/nfs/dbraw/zinc/62/49/89/955624989.db2.gz	ZDMZGMHAWPUMBN-GHMZBOCLSA-N	-1	0	312.333	0.776	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1	ZINC001593904920	955900923	/nfs/dbraw/zinc/90/09/23/955900923.db2.gz	LGIDACNLIKLNQB-ZIAGYGMSSA-N	-1	0	317.345	0.695	20	30		DCEDRM
C=CCO[C@H](C)C(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001285918051	956068273	/nfs/dbraw/zinc/06/82/73/956068273.db2.gz	CHDRZOLXWCRBJU-SNVBAGLBSA-N	-1	0	322.365	0.393	20	30		DCEDRM
N#C[C@@]1(C(=O)NCCOCCOCC(=O)[O-])CC12CCCC2	ZINC001594601897	956140149	/nfs/dbraw/zinc/14/01/49/956140149.db2.gz	SBIJXTCZLUMOGB-OAHLLOKOSA-N	-1	0	310.350	0.694	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1	ZINC001594605448	956166781	/nfs/dbraw/zinc/16/67/81/956166781.db2.gz	DSJGJBAWFUPNQC-DUXPYHPUSA-N	-1	0	317.301	0.575	20	30		DCEDRM
N#CC1CCN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1	ZINC001594605435	956166863	/nfs/dbraw/zinc/16/68/63/956166863.db2.gz	DAUITSHOEIEVOX-CYBMUJFWSA-N	-1	0	321.377	0.852	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1	ZINC001594605779	956172441	/nfs/dbraw/zinc/17/24/41/956172441.db2.gz	IJASLEQSVUHGOV-NSHDSACASA-N	-1	0	303.318	0.699	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1	ZINC001594606468	956183920	/nfs/dbraw/zinc/18/39/20/956183920.db2.gz	VAOSGIIPLDQQFV-OAHLLOKOSA-N	-1	0	317.301	0.200	20	30		DCEDRM
N#Cc1cccc(CC(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)c1	ZINC001594625899	956314363	/nfs/dbraw/zinc/31/43/63/956314363.db2.gz	QMXWIGHEDRXSAY-GFCCVEGCSA-N	-1	0	302.286	0.329	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(Cc2cc(Cl)ccn2)c1=O	ZINC001594633057	956356118	/nfs/dbraw/zinc/35/61/18/956356118.db2.gz	KXBKNYHQCBXZHJ-UHFFFAOYSA-N	-1	0	320.692	0.063	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)c1	ZINC000043511541	957434681	/nfs/dbraw/zinc/43/46/81/957434681.db2.gz	ZXTIAUTZDSWUGM-LBPRGKRZSA-N	-1	0	312.372	0.797	20	30		DCEDRM
C=CCCOCC(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001358656456	957548015	/nfs/dbraw/zinc/54/80/15/957548015.db2.gz	BPZYLMNFZVUQGK-UHFFFAOYSA-N	-1	0	322.365	0.395	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001294726146	957573722	/nfs/dbraw/zinc/57/37/22/957573722.db2.gz	CCUQPPQBOMZXGC-MEBBXXQBSA-N	-1	0	322.365	0.082	20	30		DCEDRM
CC(C)C#CC(=O)NCC[C@@H](C)NC(=O)c1cnc[nH]c1=O	ZINC001295850595	957833882	/nfs/dbraw/zinc/83/38/82/957833882.db2.gz	WWSYOFAYNHNUKN-LLVKDONJSA-N	-1	0	304.350	0.466	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1c(F)cc(C#C)cc1F	ZINC001588394871	958036960	/nfs/dbraw/zinc/03/69/60/958036960.db2.gz	GQRQIOZFQADFMR-UHFFFAOYSA-N	-1	0	320.251	0.431	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H](NC(N)=O)c1ccccc1C	ZINC001588402250	958089916	/nfs/dbraw/zinc/08/99/16/958089916.db2.gz	OWEMSQSJWNZYKQ-ZDUSSCGKSA-N	-1	0	317.345	0.641	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[Si](C)(C)c1ccccc1	ZINC001588408905	958119933	/nfs/dbraw/zinc/11/99/33/958119933.db2.gz	LKHQTHUFJDMZFD-UHFFFAOYSA-N	-1	0	304.422	0.871	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC1CCN(c2cccnn2)CC1	ZINC001588410689	958142086	/nfs/dbraw/zinc/14/20/86/958142086.db2.gz	YINKGKVBPFEUIV-UHFFFAOYSA-N	-1	0	317.349	0.175	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N(C)CCC#N)cc2=O)n1	ZINC001361685813	958213108	/nfs/dbraw/zinc/21/31/08/958213108.db2.gz	BQXFJGOQIPJZOQ-UHFFFAOYSA-N	-1	0	300.322	0.558	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cccc(F)c2F)c(=O)[n-]c1=O	ZINC001361687542	958214384	/nfs/dbraw/zinc/21/43/84/958214384.db2.gz	ABUJTEOSPXEJTE-UHFFFAOYSA-N	-1	0	306.228	0.737	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCCC(=O)N2)n1CC	ZINC001588426754	958231504	/nfs/dbraw/zinc/23/15/04/958231504.db2.gz	BBRXNBKPSJCOAH-SNVBAGLBSA-N	-1	0	305.338	0.163	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnnn1[C@H]1C[C@H](OC(C)(C)C)C1	ZINC001588426746	958231691	/nfs/dbraw/zinc/23/16/91/958231691.db2.gz	AWZUHSXSOLGVHI-XYPYZODXSA-N	-1	0	307.354	0.716	20	30		DCEDRM
C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001588431346	958267680	/nfs/dbraw/zinc/26/76/80/958267680.db2.gz	NMYGNQPMKWAPLX-GFCCVEGCSA-N	-1	0	315.285	0.218	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)C(=O)OC	ZINC001588442281	958342585	/nfs/dbraw/zinc/34/25/85/958342585.db2.gz	QNQAUEGPKUQVHG-UTUOFQBUSA-N	-1	0	313.350	0.880	20	30		DCEDRM
COc1ccc(CNC(=O)[C@@H](C#N)C(=O)[C@@H](C)C(=O)[O-])cc1	ZINC001594094398	958388957	/nfs/dbraw/zinc/38/89/57/958388957.db2.gz	LJVSCFPJSGCKLD-SKDRFNHKSA-N	-1	0	304.302	0.741	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H](O)C(Cl)(Cl)Cl	ZINC001573317852	958455885	/nfs/dbraw/zinc/45/58/85/958455885.db2.gz	GZZMPDPNYYFROB-LURJTMIESA-N	-1	0	302.541	0.654	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1	ZINC001573318185	958461378	/nfs/dbraw/zinc/46/13/78/958461378.db2.gz	MMRYRVFDWYKDLG-LBPRGKRZSA-N	-1	0	306.362	0.714	20	30		DCEDRM
C=CCN(C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001588460358	958472814	/nfs/dbraw/zinc/47/28/14/958472814.db2.gz	AIXAHUDVWCBKPZ-GFCCVEGCSA-N	-1	0	309.366	0.812	20	30		DCEDRM
C=CCN(CC=C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588463158	958481619	/nfs/dbraw/zinc/48/16/19/958481619.db2.gz	ACSWNPDTPZWKJB-GFCCVEGCSA-N	-1	0	309.366	0.836	20	30		DCEDRM
C=CCNC(=S)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001588465499	958505736	/nfs/dbraw/zinc/50/57/36/958505736.db2.gz	NWCXNERTHQMSPN-OPASDULOSA-N	-1	0	312.391	0.633	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)C1(C(=O)[O-])CCCCC1	ZINC001588469807	958520059	/nfs/dbraw/zinc/52/00/59/958520059.db2.gz	VOWBDYJVLLZDAP-UHFFFAOYSA-N	-1	0	303.380	0.739	20	30		DCEDRM
Cc1cccnc1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361944757	958520884	/nfs/dbraw/zinc/52/08/84/958520884.db2.gz	GTAPZMWMYQFABH-UHFFFAOYSA-N	-1	0	313.317	0.231	20	30		DCEDRM
C=CCn1c(Cc2nnc(C)o2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588473088	958549527	/nfs/dbraw/zinc/54/95/27/958549527.db2.gz	XNKOMNZMDMNMLB-SNVBAGLBSA-N	-1	0	318.337	0.657	20	30		DCEDRM
C[C@]1(C#N)CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCO1	ZINC001361975774	958563086	/nfs/dbraw/zinc/56/30/86/958563086.db2.gz	NAEGNRRKPXRFCC-ZDUSSCGKSA-N	-1	0	324.362	0.208	20	30		DCEDRM
N#Cc1ccccc1CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC000126279126	958584142	/nfs/dbraw/zinc/58/41/42/958584142.db2.gz	DHCPCLAREZJLRF-ZDUSSCGKSA-N	-1	0	308.359	0.632	20	30		DCEDRM
CC(C)(C#N)CCCN1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC000126310225	958586107	/nfs/dbraw/zinc/58/61/07/958586107.db2.gz	JCBUOVWPUUOOPO-LLVKDONJSA-N	-1	0	302.396	0.890	20	30		DCEDRM
CCn1cnnc1CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362073613	958693727	/nfs/dbraw/zinc/69/37/27/958693727.db2.gz	QVBBNEAZFHNQPD-UHFFFAOYSA-N	-1	0	300.322	0.551	20	30		DCEDRM
N#CCc1ccnc(NC(=O)CCCn2c(=O)[n-][nH]c2=O)c1	ZINC001362106820	958747940	/nfs/dbraw/zinc/74/79/40/958747940.db2.gz	MICAYZYKSNEECO-UHFFFAOYSA-N	-1	0	302.294	0.569	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CC(=O)N(C(C)C)C1	ZINC001362111662	958756382	/nfs/dbraw/zinc/75/63/82/958756382.db2.gz	SQKXUPWKYJSVON-NSHDSACASA-N	-1	0	302.334	0.706	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2CCc3ccccc32)c(=O)[n-]c1=O	ZINC001362162838	958853922	/nfs/dbraw/zinc/85/39/22/958853922.db2.gz	USDHWJFLFYBSEU-LBPRGKRZSA-N	-1	0	324.340	0.667	20	30		DCEDRM
CC(C)OC1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362168017	958861319	/nfs/dbraw/zinc/86/13/19/958861319.db2.gz	XBKSKFWETXRUIO-UHFFFAOYSA-N	-1	0	320.349	0.237	20	30		DCEDRM
Cc1cc([C@H](C)NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c(C)o1	ZINC001362180778	958885095	/nfs/dbraw/zinc/88/50/95/958885095.db2.gz	YPTFJSAXYUDKGX-VIFPVBQESA-N	-1	0	316.317	0.908	20	30		DCEDRM
CCC1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001362210171	958936235	/nfs/dbraw/zinc/93/62/35/958936235.db2.gz	UYZCIIBGVDUAFF-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccccc1S(=O)(=O)CC)C(=O)[O-]	ZINC000149843567	959028897	/nfs/dbraw/zinc/02/88/97/959028897.db2.gz	HPEHEOOAPHZNOE-LLVKDONJSA-N	-1	0	309.343	0.687	20	30		DCEDRM
C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001588551980	959030992	/nfs/dbraw/zinc/03/09/92/959030992.db2.gz	NGCYATCLXVLOKJ-MEBBXXQBSA-N	-1	0	313.317	0.827	20	30		DCEDRM
Cc1ncsc1CN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362276641	959054996	/nfs/dbraw/zinc/05/49/96/959054996.db2.gz	KLJFVBOIZXUTEK-UHFFFAOYSA-N	-1	0	319.346	0.244	20	30		DCEDRM
CCC[C@@H](CCO)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362438236	959354749	/nfs/dbraw/zinc/35/47/49/959354749.db2.gz	KJHZBBARBNIFSY-NSHDSACASA-N	-1	0	322.365	0.126	20	30		DCEDRM
CCNC(=O)C(C)(C)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362528767	959529573	/nfs/dbraw/zinc/52/95/73/959529573.db2.gz	LWJLKKVATMUADS-UHFFFAOYSA-N	-1	0	304.350	0.859	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)CO[C@H]1CCOC1	ZINC001362547457	959572505	/nfs/dbraw/zinc/57/25/05/959572505.db2.gz	NTRMLQNLGFQNTE-JQWIXIFHSA-N	-1	0	305.334	0.891	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2CCCC[C@H]2F)c(=O)[n-]c1=O	ZINC001362548542	959576454	/nfs/dbraw/zinc/57/64/54/959576454.db2.gz	DJNKJTZFTBIOCW-GHMZBOCLSA-N	-1	0	308.313	0.608	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC(C)(C#N)C3)cc2=O)n1	ZINC001362599979	959674244	/nfs/dbraw/zinc/67/42/44/959674244.db2.gz	HKJDNKZLPVWSLI-UHFFFAOYSA-N	-1	0	312.333	0.558	20	30		DCEDRM
N#C[C@]1(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CCCOC1	ZINC001362725314	959897464	/nfs/dbraw/zinc/89/74/64/959897464.db2.gz	RFQUXCYEVFZDIX-IINYFYTJSA-N	-1	0	305.338	0.537	20	30		DCEDRM
CCN1C[C@@H](NC(=O)c2cc(C#N)c(SC)[n-]c2=O)CC1=O	ZINC001362744362	959920248	/nfs/dbraw/zinc/92/02/48/959920248.db2.gz	UEGNIIKYTOAFSC-VIFPVBQESA-N	-1	0	320.374	0.731	20	30		DCEDRM
C[C@H](OC(=O)[C@@]1(C(=O)[O-])CC1(C)C)C(=O)NC1(C#N)CCC1	ZINC001603268432	972466702	/nfs/dbraw/zinc/46/67/02/972466702.db2.gz	JGZDCRZOAMSLQQ-VFZGTOFNSA-N	-1	0	308.334	0.981	20	30		DCEDRM
N#Cc1cnc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c(Cl)c1	ZINC001362758626	959944356	/nfs/dbraw/zinc/94/43/56/959944356.db2.gz	HZLOJAKWJGCRIH-VIFPVBQESA-N	-1	0	319.712	0.333	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC001362775017	959970135	/nfs/dbraw/zinc/97/01/35/959970135.db2.gz	HGDZMOBSHJRLLN-CYBMUJFWSA-N	-1	0	311.345	0.780	20	30		DCEDRM
CC(C)[C@H](NS(C)(=O)=O)C(=O)[N-]Oc1cccc(C#N)c1	ZINC001302371889	960021779	/nfs/dbraw/zinc/02/17/79/960021779.db2.gz	RCXSGJOVMUDCIQ-LBPRGKRZSA-N	-1	0	311.363	0.542	20	30		DCEDRM
C#CC1(O)CN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1	ZINC001304606115	960092017	/nfs/dbraw/zinc/09/20/17/960092017.db2.gz	LOAUESKGIMJLSI-UHFFFAOYSA-N	-1	0	301.277	0.537	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2noc3cc(F)ccc23)c(C#N)c1=O	ZINC001307193506	960145182	/nfs/dbraw/zinc/14/51/82/960145182.db2.gz	CUTLZDNFYFHPRC-UHFFFAOYSA-N	-1	0	315.264	0.838	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](C2OCCO2)C1	ZINC001362921414	960180602	/nfs/dbraw/zinc/18/06/02/960180602.db2.gz	FPAIZOQFAPMVRA-JTQLQIEISA-N	-1	0	303.318	0.802	20	30		DCEDRM
COc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1O	ZINC001413839226	960185965	/nfs/dbraw/zinc/18/59/65/960185965.db2.gz	TVCIXAAQYUWCOZ-UHFFFAOYSA-N	-1	0	316.273	0.173	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC001312886016	960286562	/nfs/dbraw/zinc/28/65/62/960286562.db2.gz	SSNFVZKXIJEFSU-ZDUSSCGKSA-N	-1	0	302.334	0.912	20	30		DCEDRM
CC[C@H](CC(F)F)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363006755	960292385	/nfs/dbraw/zinc/29/23/85/960292385.db2.gz	ZDWVUILRFDBGAC-MRVPVSSYSA-N	-1	0	314.292	0.618	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C	ZINC001363073889	960374538	/nfs/dbraw/zinc/37/45/38/960374538.db2.gz	GDUNNBIKXZOVCM-YRMIWKTRSA-N	-1	0	307.375	0.949	20	30		DCEDRM
N#C[C@H](CCc1ccccc1)C(=O)NCCc1nc(=O)o[n-]1	ZINC001363093763	960393249	/nfs/dbraw/zinc/39/32/49/960393249.db2.gz	UPDIMRVXJIBCQE-LBPRGKRZSA-N	-1	0	300.318	0.794	20	30		DCEDRM
N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]3)C2)nc1	ZINC001363122085	960433605	/nfs/dbraw/zinc/43/36/05/960433605.db2.gz	DQLIIBSBRPLTSA-SNVBAGLBSA-N	-1	0	313.321	0.494	20	30		DCEDRM
C[C@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccccn1	ZINC001363128438	960440625	/nfs/dbraw/zinc/44/06/25/960440625.db2.gz	MFQVEIDUCNVFQB-JTQLQIEISA-N	-1	0	313.317	0.135	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(C[N@H+]1CCC[C@@H](C(=O)[O-])C1)cc2=O	ZINC001574248640	960499136	/nfs/dbraw/zinc/49/91/36/960499136.db2.gz	LZBFITTVDGCCLU-SECBINFHSA-N	-1	0	301.306	0.603	20	30		DCEDRM
COc1cc(CN(C)c2[n-]c(=O)n(C)c(=O)c2C#N)sn1	ZINC001363169376	960528002	/nfs/dbraw/zinc/52/80/02/960528002.db2.gz	WQGLGWQUPCMFAW-UHFFFAOYSA-N	-1	0	307.335	0.047	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cccc(F)c2F)c(=O)[n-]c1=O	ZINC001363286700	960792148	/nfs/dbraw/zinc/79/21/48/960792148.db2.gz	JXOOPWGSFBZWDD-UHFFFAOYSA-N	-1	0	320.255	0.529	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)C[C@@H](C(=O)[O-])O1	ZINC001571069500	960873681	/nfs/dbraw/zinc/87/36/81/960873681.db2.gz	MGRNUHDJWMTUQU-CBAPKCEASA-N	-1	0	300.292	0.014	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](O)[C@H](C)O	ZINC001363363618	960986743	/nfs/dbraw/zinc/98/67/43/960986743.db2.gz	JXEGTOLIDUHYCN-GXFFZTMASA-N	-1	0	307.350	0.066	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001571080575	961000584	/nfs/dbraw/zinc/00/05/84/961000584.db2.gz	SJQKKAILKPGIDC-UWVGGRQHSA-N	-1	0	303.322	0.159	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001571085267	961047561	/nfs/dbraw/zinc/04/75/61/961047561.db2.gz	YGJRSRUCXPPZCR-NSHDSACASA-N	-1	0	305.290	0.265	20	30		DCEDRM
C[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1ccns1	ZINC001363407049	961095810	/nfs/dbraw/zinc/09/58/10/961095810.db2.gz	MBVUHRQLJYRQDM-MRVPVSSYSA-N	-1	0	319.346	0.545	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCC([C@@H](F)C(N)=O)CC1	ZINC001571092285	961118657	/nfs/dbraw/zinc/11/86/57/961118657.db2.gz	QHCPLTZSMCPODP-GFCCVEGCSA-N	-1	0	306.297	0.691	20	30		DCEDRM
C[C@@]1(C#N)CN(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CCO1	ZINC001571097349	961188381	/nfs/dbraw/zinc/18/83/81/961188381.db2.gz	WZFMKVIWKXGUTE-XRHZXQNYSA-N	-1	0	307.350	0.810	20	30		DCEDRM
N#Cc1cnccc1CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC001571101354	961225559	/nfs/dbraw/zinc/22/55/59/961225559.db2.gz	ADMYJWPCQGLDCB-GFCCVEGCSA-N	-1	0	309.347	0.027	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC(=O)C2CCCC2)c(=O)[n-]c1=O	ZINC001363509728	961312148	/nfs/dbraw/zinc/31/21/48/961312148.db2.gz	HQNDQDMACWWOMR-UHFFFAOYSA-N	-1	0	318.333	0.086	20	30		DCEDRM
N#Cc1cc(NC(=O)NCC(=O)NCC(=O)[O-])c(F)cc1F	ZINC001571112718	961359973	/nfs/dbraw/zinc/35/99/73/961359973.db2.gz	IZFVADHPPDEHME-UHFFFAOYSA-N	-1	0	312.232	0.159	20	30		DCEDRM
CCOC(=O)C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(F)(F)F	ZINC001573894238	961372581	/nfs/dbraw/zinc/37/25/81/961372581.db2.gz	BDBWBJPDKZPIKG-RDDDGLTNSA-N	-1	0	324.255	0.991	20	30		DCEDRM
N#Cc1cc(NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)ccn1	ZINC001571123209	961465844	/nfs/dbraw/zinc/46/58/44/961465844.db2.gz	OBXANPAZFGYPRV-AWEZNQCLSA-N	-1	0	315.289	0.791	20	30		DCEDRM
Cc1c(C(=O)[O-])cc(CNS(=O)(=O)N(C)CCC#N)n1C	ZINC001571123849	961476884	/nfs/dbraw/zinc/47/68/84/961476884.db2.gz	UVZIQSVEEUVULY-UHFFFAOYSA-N	-1	0	314.367	0.212	20	30		DCEDRM
N#Cc1ccc(NC(=O)NCC(=O)NCC(=O)[O-])c(C2CC2)c1	ZINC001571128010	961522502	/nfs/dbraw/zinc/52/25/02/961522502.db2.gz	HZTSJIBWTXDKQL-UHFFFAOYSA-N	-1	0	316.317	0.758	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cnc(C(=O)[O-])cn1	ZINC001588812304	961525263	/nfs/dbraw/zinc/52/52/63/961525263.db2.gz	HUGFFFBFGBPHDF-AWEZNQCLSA-N	-1	0	320.305	0.386	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@@H](CCNc2ncc(C(=O)[O-])cn2)C1	ZINC001571133457	961591446	/nfs/dbraw/zinc/59/14/46/961591446.db2.gz	OLPURIFFDYXYQW-GHMZBOCLSA-N	-1	0	317.349	0.985	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@@](C)(CNc2ncc(C(=O)[O-])cn2)C1	ZINC001571133473	961592108	/nfs/dbraw/zinc/59/21/08/961592108.db2.gz	OSXQTNAFQISACE-BONVTDFDSA-N	-1	0	317.349	0.985	20	30		DCEDRM
CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)C(=O)[O-]	ZINC001588816791	961593937	/nfs/dbraw/zinc/59/39/37/961593937.db2.gz	OEKBGFHBJJQRNU-JTQLQIEISA-N	-1	0	304.306	0.365	20	30		DCEDRM
Cc1onc(CC(=O)N[C@@H](Cc2cncs2)C(=O)[O-])c1C#N	ZINC001571146093	961748016	/nfs/dbraw/zinc/74/80/16/961748016.db2.gz	RIYNTQUIGUVCBR-NSHDSACASA-N	-1	0	320.330	0.666	20	30		DCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1c(F)cncc1F	ZINC001363730750	961776921	/nfs/dbraw/zinc/77/69/21/961776921.db2.gz	KUEROQLDBRLMMB-ZCFIWIBFSA-N	-1	0	307.260	0.792	20	30		DCEDRM
C=CCN(Cc1ccc(C(=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1	ZINC001334770248	961817013	/nfs/dbraw/zinc/81/70/13/961817013.db2.gz	DMTVYXWJKJYBEC-ZDUSSCGKSA-N	-1	0	310.375	0.955	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)c(C#N)c1	ZINC001571164785	961984019	/nfs/dbraw/zinc/98/40/19/961984019.db2.gz	GCZCXKKOKONICD-UHFFFAOYSA-N	-1	0	324.358	0.467	20	30		DCEDRM
N#C[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC001363969692	962211117	/nfs/dbraw/zinc/21/11/17/962211117.db2.gz	FWAOYKZXNAXNPL-VIFPVBQESA-N	-1	0	309.347	0.415	20	30		DCEDRM
Cc1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)ccc1F	ZINC001364109895	962491106	/nfs/dbraw/zinc/49/11/06/962491106.db2.gz	UBROYTZRTQPXAQ-UHFFFAOYSA-N	-1	0	316.292	0.698	20	30		DCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)Nc1ccccc1	ZINC001364165293	962594013	/nfs/dbraw/zinc/59/40/13/962594013.db2.gz	NMEDHVIFWSFXRP-SECBINFHSA-N	-1	0	313.317	0.384	20	30		DCEDRM
Cn1ncc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1Cl	ZINC001364207703	962670746	/nfs/dbraw/zinc/67/07/46/962670746.db2.gz	RFXCMYVZNNNZSZ-UHFFFAOYSA-N	-1	0	322.712	0.236	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N(CC)CCNc1ncc(C(=O)[O-])cn1	ZINC001573310769	962690636	/nfs/dbraw/zinc/69/06/36/962690636.db2.gz	CITXZWFDZMVRJA-LLVKDONJSA-N	-1	0	320.349	0.474	20	30		DCEDRM
CC[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H](O)c1ccccc1	ZINC001364224673	962704911	/nfs/dbraw/zinc/70/49/11/962704911.db2.gz	RNFGKBRJSHCWGI-OLZOCXBDSA-N	-1	0	314.345	0.869	20	30		DCEDRM
C=C(Br)CN(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001573313611	962732756	/nfs/dbraw/zinc/73/27/56/962732756.db2.gz	MDAWVIRYLJVGBH-RKDXNWHRSA-N	-1	0	305.172	0.664	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](C(=O)Nc2cn[nH]c2)C1	ZINC001573332841	962844513	/nfs/dbraw/zinc/84/45/13/962844513.db2.gz	SWIUERMRMJZHMH-JTQLQIEISA-N	-1	0	306.322	0.618	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1	ZINC001573333286	962854633	/nfs/dbraw/zinc/85/46/33/962854633.db2.gz	XWQUSPGCCOSFER-CYBMUJFWSA-N	-1	0	311.426	0.797	20	30		DCEDRM
C=C1CC(C)(C(=O)N2C[C@H](NC(=O)CNC(=O)[O-])C(C)(C)C2)C1	ZINC001573343151	962900364	/nfs/dbraw/zinc/90/03/64/962900364.db2.gz	AALUJDFRTGENFC-NSHDSACASA-N	-1	0	323.393	0.964	20	30		DCEDRM
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CNC(=O)[O-])C[C@H]2C)CC1	ZINC001573344051	962911095	/nfs/dbraw/zinc/91/10/95/962911095.db2.gz	MWOHNJITCQNPKG-DGCLKSJQSA-N	-1	0	323.393	0.964	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)C[C@H](OC)c1ccccc1)C(=O)[O-]	ZINC000296822064	962918800	/nfs/dbraw/zinc/91/88/00/962918800.db2.gz	CVDLFBXEVZVLSC-OLZOCXBDSA-N	-1	0	311.359	0.770	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@@H]1CC12CCN(C(=O)CNC(=O)[O-])CC2	ZINC001573347797	962951454	/nfs/dbraw/zinc/95/14/54/962951454.db2.gz	OFGBZACDYGTFSI-LLVKDONJSA-N	-1	0	323.393	0.964	20	30		DCEDRM
C=CC(C)(C)CC(=O)N(CCNC(=O)CNC(=O)[O-])C1CC1	ZINC001573348617	962958559	/nfs/dbraw/zinc/95/85/59/962958559.db2.gz	YKGBJEDEMYVQGQ-UHFFFAOYSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(=O)[O-]	ZINC000316580996	964026235	/nfs/dbraw/zinc/02/62/35/964026235.db2.gz	JISNBNGHGLKLOC-LLVKDONJSA-N	-1	0	321.310	0.548	20	30		DCEDRM
C=C(C)Cn1c(N2CC[C@H](C(=O)[O-])C2)nnc1[C@@](C)(O)COC	ZINC001588441147	964049249	/nfs/dbraw/zinc/04/92/49/964049249.db2.gz	AHRRWKXITZBYEV-NHYWBVRUSA-N	-1	0	324.381	0.619	20	30		DCEDRM
C#CCCCCNC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001588442678	964058379	/nfs/dbraw/zinc/05/83/79/964058379.db2.gz	VSGSMHKKBRWESI-MRXNPFEDSA-N	-1	0	323.393	0.361	20	30		DCEDRM
C#CCCCS(=O)(=O)NC(C)(C)c1nocc1C(=O)[O-]	ZINC001588446452	964073762	/nfs/dbraw/zinc/07/37/62/964073762.db2.gz	HJVMSDKEXWFWRR-UHFFFAOYSA-N	-1	0	300.336	0.941	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2n[nH]c(C)c2Cl)n1C	ZINC001588426570	969882073	/nfs/dbraw/zinc/88/20/73/969882073.db2.gz	PGIZJKRKFOZMDP-UHFFFAOYSA-N	-1	0	308.729	0.691	20	30		DCEDRM
CC(C)n1ccc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001448541593	1013946446	/nfs/dbraw/zinc/94/64/46/1013946446.db2.gz	OEOFCGAFXLNCDS-UHFFFAOYSA-N	-1	0	316.321	0.627	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](S(C)(=O)=O)CC1	ZINC001609691420	970449154	/nfs/dbraw/zinc/44/91/54/970449154.db2.gz	OBENPOSTAKKSCZ-GXFFZTMASA-N	-1	0	316.379	0.417	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(C)(C)S(=O)(=O)CC1	ZINC001609691608	970450643	/nfs/dbraw/zinc/45/06/43/970450643.db2.gz	VRJFKYMVZAFPED-ZDUSSCGKSA-N	-1	0	316.379	0.417	20	30		DCEDRM
Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ncc1C#N	ZINC001605115570	972773252	/nfs/dbraw/zinc/77/32/52/972773252.db2.gz	AHOCFQLNHRIYGP-IAQYHMDHSA-N	-1	0	301.302	0.435	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC001604322564	973004407	/nfs/dbraw/zinc/00/44/07/973004407.db2.gz	XEGPOTYWYWRWSN-LBPRGKRZSA-N	-1	0	304.302	0.889	20	30		DCEDRM
C[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)CC[C@@H]1C(=O)[O-]	ZINC001603443391	973240440	/nfs/dbraw/zinc/24/04/40/973240440.db2.gz	SYVZCEQHEPNCQC-PWSUYJOCSA-N	-1	0	302.334	0.934	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC001604455610	973298014	/nfs/dbraw/zinc/29/80/14/973298014.db2.gz	XXOAMCKUCQRLNS-OAHLLOKOSA-N	-1	0	318.333	0.092	20	30		DCEDRM
N#Cc1ccncc1N1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1	ZINC001605622855	973944998	/nfs/dbraw/zinc/94/49/98/973944998.db2.gz	FKBXGQCHGAYSHM-AWEZNQCLSA-N	-1	0	314.345	0.713	20	30		DCEDRM
CCN(C(=O)C(=O)Nc1ccn(CCC#N)n1)[C@H](C)C(=O)[O-]	ZINC001603705839	974111277	/nfs/dbraw/zinc/11/12/77/974111277.db2.gz	OILSERSQMDMKJU-SECBINFHSA-N	-1	0	307.310	0.057	20	30		DCEDRM
CN(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nccs1	ZINC001604029031	974555738	/nfs/dbraw/zinc/55/57/38/974555738.db2.gz	YAMIIUHKLIUIGV-GFCCVEGCSA-N	-1	0	311.319	0.654	20	30		DCEDRM
C=CC(C)(C)CC(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001528206506	1014228411	/nfs/dbraw/zinc/22/84/11/1014228411.db2.gz	TVTKORLKDAGGNF-UHFFFAOYSA-N	-1	0	323.353	0.073	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001592221572	977400701	/nfs/dbraw/zinc/40/07/01/977400701.db2.gz	KWIUVXUUPLCVDL-NHCYSSNCSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C	ZINC001592222626	977409345	/nfs/dbraw/zinc/40/93/45/977409345.db2.gz	ZDPKYMMSFMWYSF-SECBINFHSA-N	-1	0	318.333	0.808	20	30		DCEDRM
Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@H](C#N)CO)n2)c1	ZINC001449516820	1014522770	/nfs/dbraw/zinc/52/27/70/1014522770.db2.gz	CYQLZOKZGLPXQM-SECBINFHSA-N	-1	0	304.281	0.640	20	30		DCEDRM
C[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1ccnc(C(=O)[O-])n1	ZINC001592692659	979143093	/nfs/dbraw/zinc/14/30/93/979143093.db2.gz	XIEXQFLPZVOHGW-MRVPVSSYSA-N	-1	0	314.305	0.027	20	30		DCEDRM
C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)CSCC#N	ZINC001592729603	979243546	/nfs/dbraw/zinc/24/35/46/979243546.db2.gz	NWFJYPZUSHAKRO-SECBINFHSA-N	-1	0	323.378	0.112	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C(=O)[C@@H](C)C#N)C2CC2)c1[O-]	ZINC001529740690	1014604182	/nfs/dbraw/zinc/60/41/82/1014604182.db2.gz	NXELIOYNTNJQFK-QMMMGPOBSA-N	-1	0	305.338	0.304	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)o1	ZINC001523862017	1014784843	/nfs/dbraw/zinc/78/48/43/1014784843.db2.gz	OGCPKXHPZXQIKN-SECBINFHSA-N	-1	0	308.290	0.541	20	30		DCEDRM
Cn1nc2c(c1C([O-])=C(C#N)C(=O)NC1CC1)CSCC2	ZINC001523933698	1014805839	/nfs/dbraw/zinc/80/58/39/1014805839.db2.gz	OKUNODZMUCISKU-VIFPVBQESA-N	-1	0	304.375	0.810	20	30		DCEDRM
CCCCCS(=O)(=O)CC(=O)N(CC#N)CCC(=O)[O-]	ZINC001595722241	982340608	/nfs/dbraw/zinc/34/06/08/982340608.db2.gz	YJNSLMVKKKQSJC-UHFFFAOYSA-N	-1	0	304.368	0.418	20	30		DCEDRM
CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1cc(C#N)[nH]c1C)C(=O)[O-]	ZINC001594902041	982360989	/nfs/dbraw/zinc/36/09/89/982360989.db2.gz	BJRMPEQNCTWNDT-AMIZOPFISA-N	-1	0	321.333	0.967	20	30		DCEDRM
CCCN(CCNC(=O)[C@@H](C)C#N)c1ncc(C(=O)[O-])cn1	ZINC001595880473	982889839	/nfs/dbraw/zinc/88/98/39/982889839.db2.gz	XNOGBRJCTCBPLA-JTQLQIEISA-N	-1	0	305.338	0.667	20	30		DCEDRM
CC(C)(C(=O)[O-])n1cc(NC(=O)N2CCO[C@](C)(C#N)C2)cn1	ZINC001573589884	983067113	/nfs/dbraw/zinc/06/71/13/983067113.db2.gz	KHHGNSYQBKYVKE-CQSZACIVSA-N	-1	0	321.337	0.849	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001574012448	983154461	/nfs/dbraw/zinc/15/44/61/983154461.db2.gz	LLBSPUHNELYYTJ-IUCAKERBSA-N	-1	0	319.317	0.274	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001588368003	983302984	/nfs/dbraw/zinc/30/29/84/983302984.db2.gz	FKIZDMMCGCHSNB-SECBINFHSA-N	-1	0	304.302	0.812	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001588370397	983318687	/nfs/dbraw/zinc/31/86/87/983318687.db2.gz	CAGIZBAOVRFJTM-LLVKDONJSA-N	-1	0	309.343	0.075	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC001588376552	983352504	/nfs/dbraw/zinc/35/25/04/983352504.db2.gz	VMSJZNVRMGPWTM-STQMWFEESA-N	-1	0	324.358	0.547	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])[C@H]1CCCO1	ZINC001588377906	983360476	/nfs/dbraw/zinc/36/04/76/983360476.db2.gz	RUROXFARDSJEMB-UONOGXRCSA-N	-1	0	323.370	0.985	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588393136	983396529	/nfs/dbraw/zinc/39/65/29/983396529.db2.gz	BXLYPMQHAQHDHO-CHWSQXEVSA-N	-1	0	312.366	0.282	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001588393168	983396668	/nfs/dbraw/zinc/39/66/68/983396668.db2.gz	CLXIOUZQDJUZHI-SNVBAGLBSA-N	-1	0	322.292	0.617	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001588394696	983403179	/nfs/dbraw/zinc/40/31/79/983403179.db2.gz	NKAVKKDEYHGXGU-WDEREUQCSA-N	-1	0	300.380	0.484	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)NCc1cc(C(=O)[O-])c(C)n1C	ZINC001588395805	983406906	/nfs/dbraw/zinc/40/69/06/983406906.db2.gz	TVXUSPMLTZXYPW-LLVKDONJSA-N	-1	0	307.350	0.869	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H](C)N1CSCCSC1)C(=O)[O-]	ZINC001588398336	983412329	/nfs/dbraw/zinc/41/23/29/983412329.db2.gz	ICPURLMYCYJNDV-VHSXEESVSA-N	-1	0	302.421	0.665	20	30		DCEDRM
C#CC[C@H](NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)[O-]	ZINC001588404738	983418975	/nfs/dbraw/zinc/41/89/75/983418975.db2.gz	HJPKGDJQMJXICC-ZDUSSCGKSA-N	-1	0	318.329	0.848	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@@H](n1cccn1)C(F)(F)F)C(=O)[O-]	ZINC001588406933	983426666	/nfs/dbraw/zinc/42/66/66/983426666.db2.gz	UFTSPIRVNOTINP-DTWKUNHWSA-N	-1	0	303.240	0.969	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1csc(-c2nc[nH]n2)n1)C(=O)[O-]	ZINC001588407500	983428374	/nfs/dbraw/zinc/42/83/74/983428374.db2.gz	IXEJFEWGQIDUCN-QMMMGPOBSA-N	-1	0	305.319	0.063	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-]	ZINC001588424704	983456413	/nfs/dbraw/zinc/45/64/13/983456413.db2.gz	ZLXYEUDFUMROKI-SSDOTTSWSA-N	-1	0	303.727	0.072	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc2nc(C)oc2c1)C(=O)[O-]	ZINC001588428201	983460432	/nfs/dbraw/zinc/46/04/32/983460432.db2.gz	FVDDUNNIKCBLKA-LLVKDONJSA-N	-1	0	308.315	0.891	20	30		DCEDRM
C#CCC1(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001588428674	983463031	/nfs/dbraw/zinc/46/30/31/983463031.db2.gz	XIONCXIHSPGAGY-HNFMAKEJSA-N	-1	0	318.373	0.689	20	30		DCEDRM
C#CCC1(NS(=O)(=O)c2cccnc2C(=O)[O-])CCOCC1	ZINC001588430695	983463666	/nfs/dbraw/zinc/46/36/66/983463666.db2.gz	BKNFANZMMKQCTI-UHFFFAOYSA-N	-1	0	324.358	0.631	20	30		DCEDRM
C#CCC1(O)CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)CC1	ZINC001588430749	983464063	/nfs/dbraw/zinc/46/40/63/983464063.db2.gz	FAHQWDDLOIRADT-UHFFFAOYSA-N	-1	0	322.405	0.740	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC001588434156	983468930	/nfs/dbraw/zinc/46/89/30/983468930.db2.gz	HFHNVMSAUCUTNM-NSHDSACASA-N	-1	0	318.329	0.522	20	30		DCEDRM
C#CCCS(=O)(=O)N1CCOc2cc(C(=O)[O-])ccc2C1	ZINC001588458751	983483608	/nfs/dbraw/zinc/48/36/08/983483608.db2.gz	TXKSFVCANWDODE-UHFFFAOYSA-N	-1	0	309.343	0.932	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC001588464741	983494264	/nfs/dbraw/zinc/49/42/64/983494264.db2.gz	HQIMGCJYQYSSJS-UHFFFAOYSA-N	-1	0	314.297	0.427	20	30		DCEDRM
C#CCN(CC#N)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC001588464800	983494614	/nfs/dbraw/zinc/49/46/14/983494614.db2.gz	MDVGNIJIDZWPNI-HNNXBMFYSA-N	-1	0	311.341	0.483	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001588464859	983495011	/nfs/dbraw/zinc/49/50/11/983495011.db2.gz	PWGHFJYKDAITOW-AWEZNQCLSA-N	-1	0	318.373	0.575	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC001588464915	983495385	/nfs/dbraw/zinc/49/53/85/983495385.db2.gz	UHTHOGFATINDNC-UHFFFAOYSA-N	-1	0	312.325	0.737	20	30		DCEDRM
C#CCOCCC(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1	ZINC001588489469	983527612	/nfs/dbraw/zinc/52/76/12/983527612.db2.gz	ASZQSXQDFCXTDV-UHFFFAOYSA-N	-1	0	314.301	0.944	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC001588491339	983535826	/nfs/dbraw/zinc/53/58/26/983535826.db2.gz	KKFXESYIMDFNJA-UHFFFAOYSA-N	-1	0	318.329	0.652	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC001588498822	983544354	/nfs/dbraw/zinc/54/43/54/983544354.db2.gz	IJFUTJFWFBHMOJ-HNNXBMFYSA-N	-1	0	322.292	0.891	20	30		DCEDRM
C#CCOc1ccccc1OS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001588504825	983548856	/nfs/dbraw/zinc/54/88/56/983548856.db2.gz	MVHSRBXQYPRNFY-UHFFFAOYSA-N	-1	0	322.298	0.888	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001588506125	983550962	/nfs/dbraw/zinc/55/09/62/983550962.db2.gz	GRBBURRLGAQOKA-NSHDSACASA-N	-1	0	324.402	0.182	20	30		DCEDRM
C#CCn1cc(CNS(=O)(=O)c2cc(C(=O)[O-])oc2C)cn1	ZINC001588509903	983553912	/nfs/dbraw/zinc/55/39/12/983553912.db2.gz	SPEBYALPLAZPBJ-UHFFFAOYSA-N	-1	0	323.330	0.594	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)OC)CC[C@@H]2C(=O)[O-])cn1	ZINC001588510320	983555081	/nfs/dbraw/zinc/55/50/81/983555081.db2.gz	AGAGILVCRZEYSG-DGCLKSJQSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)CC1	ZINC001588511516	983559884	/nfs/dbraw/zinc/55/98/84/983559884.db2.gz	YYGCYXTZEOLTIU-LPWJVIDDSA-N	-1	0	306.362	0.616	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001588533991	983585238	/nfs/dbraw/zinc/58/52/38/983585238.db2.gz	CUJIJFQBUSSPNT-VOAKCMCISA-N	-1	0	312.366	0.445	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001588548472	983624354	/nfs/dbraw/zinc/62/43/54/983624354.db2.gz	UTTOHAQMCHXRED-XQQFMLRXSA-N	-1	0	312.366	0.311	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OC	ZINC001588552930	983627119	/nfs/dbraw/zinc/62/71/19/983627119.db2.gz	FXMGZQJKIJSIAF-VIFPVBQESA-N	-1	0	307.368	0.524	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-]	ZINC001588553354	983628112	/nfs/dbraw/zinc/62/81/12/983628112.db2.gz	LTZWLHBBIBXNHQ-SECBINFHSA-N	-1	0	307.368	0.524	20	30		DCEDRM
C=C(C)CCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588554777	983631851	/nfs/dbraw/zinc/63/18/51/983631851.db2.gz	QEIIOZLKASBXMI-NSHDSACASA-N	-1	0	304.350	0.966	20	30		DCEDRM
C=C(C)Cn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1C1(O)CCC1	ZINC001588599069	983687845	/nfs/dbraw/zinc/68/78/45/983687845.db2.gz	UFPXHIUQTWQOOZ-LLVKDONJSA-N	-1	0	322.365	0.516	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCC)[C@H]1CCS(=O)(=O)C1	ZINC001588612028	983701314	/nfs/dbraw/zinc/70/13/14/983701314.db2.gz	GDPKUSFQNPDICO-NSHDSACASA-N	-1	0	303.380	0.833	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(CN2CCNC2=O)CC1	ZINC001588614087	983706522	/nfs/dbraw/zinc/70/65/22/983706522.db2.gz	LKSFOPQFLQSPOL-UHFFFAOYSA-N	-1	0	309.366	0.671	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1	ZINC001588618887	983713516	/nfs/dbraw/zinc/71/35/16/983713516.db2.gz	DKHAZBWDQMOVDN-XHDPSFHLSA-N	-1	0	311.334	0.446	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)CC)CC1	ZINC001588622763	983725078	/nfs/dbraw/zinc/72/50/78/983725078.db2.gz	DXGANSHABONVLN-UHFFFAOYSA-N	-1	0	318.395	0.338	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001596300312	983728961	/nfs/dbraw/zinc/72/89/61/983728961.db2.gz	UJCJZCYHVUDKME-JTQLQIEISA-N	-1	0	321.424	0.216	20	30		DCEDRM
C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588643217	983765399	/nfs/dbraw/zinc/76/53/99/983765399.db2.gz	AQULOOHFKUZIMV-NEPJUHHUSA-N	-1	0	324.377	0.001	20	30		DCEDRM
CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001596341024	983791012	/nfs/dbraw/zinc/79/10/12/983791012.db2.gz	NYQOYGPJOONWSD-VXGBXAGGSA-N	-1	0	317.349	0.638	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNc1ccnc(C(=O)[O-])n1	ZINC001588684244	983857097	/nfs/dbraw/zinc/85/70/97/983857097.db2.gz	NSVMNHOQHHXYTL-BONVTDFDSA-N	-1	0	322.365	0.231	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1CC1CC1	ZINC001588705203	983926351	/nfs/dbraw/zinc/92/63/51/983926351.db2.gz	LFVSGTDVNIYBHJ-DLOVCJGASA-N	-1	0	322.365	0.586	20	30		DCEDRM
C=CC[C@@H](OC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)[O-]	ZINC001588753992	984090568	/nfs/dbraw/zinc/09/05/68/984090568.db2.gz	QVNPRPLREBOYDA-OUAUKWLOSA-N	-1	0	309.318	0.734	20	30		DCEDRM
C=CCC1(C(=O)O[C@H](CC(=O)[O-])C(=O)OC)CCOCC1	ZINC001588767008	984127653	/nfs/dbraw/zinc/12/76/53/984127653.db2.gz	DCUHACQICXXXGM-SNVBAGLBSA-N	-1	0	300.307	0.919	20	30		DCEDRM
C=CCCC(=O)N1C[C@H](Nc2ccnc(C(=O)[O-])n2)C[C@@H]1C	ZINC001588774035	984150329	/nfs/dbraw/zinc/15/03/29/984150329.db2.gz	PEXQUEXCJIOOAQ-WDEREUQCSA-N	-1	0	304.350	0.964	20	30		DCEDRM
C=CCCC(=O)N1C[C@H](C)[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588774013	984150390	/nfs/dbraw/zinc/15/03/90/984150390.db2.gz	OSCNVOMWDVYXDU-WDEREUQCSA-N	-1	0	304.350	0.822	20	30		DCEDRM
C=CCCn1cc(C(=O)NCc2ncc(C(=O)[O-])s2)nn1	ZINC001588817193	984274936	/nfs/dbraw/zinc/27/49/36/984274936.db2.gz	DGDLCJHZCSUALM-UHFFFAOYSA-N	-1	0	307.335	0.939	20	30		DCEDRM
C=CCN([C@@H](C)COC)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001588820945	984287519	/nfs/dbraw/zinc/28/75/19/984287519.db2.gz	ZLSMZSISTXGEHT-QMMMGPOBSA-N	-1	0	317.367	0.628	20	30		DCEDRM
C=CCN1CC[C@H](N(C)CC(=O)c2cc(C(=O)[O-])[nH]c2C)C1=O	ZINC001588839092	984344360	/nfs/dbraw/zinc/34/43/60/984344360.db2.gz	OHKRIOUAQIRTJK-ZDUSSCGKSA-N	-1	0	319.361	0.923	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC001588844269	984356540	/nfs/dbraw/zinc/35/65/40/984356540.db2.gz	GKRWQQFJOHJBRK-SSDOTTSWSA-N	-1	0	312.351	0.504	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1	ZINC001588844516	984358686	/nfs/dbraw/zinc/35/86/86/984358686.db2.gz	KKFMZURCYDYIQM-UHFFFAOYSA-N	-1	0	317.345	0.755	20	30		DCEDRM
C=CCOCC(=O)N[C@@]1(C)CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001588850996	984382015	/nfs/dbraw/zinc/38/20/15/984382015.db2.gz	OFSSNKONDCYOPY-HNNXBMFYSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C1(O)Cc2ccccc2C1)C(=O)[O-]	ZINC001588856168	984397584	/nfs/dbraw/zinc/39/75/84/984397584.db2.gz	VUAUHMGINVYHCG-ZDUSSCGKSA-N	-1	0	305.330	0.288	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(-n2ccnc2)nc1)C(=O)[O-]	ZINC001588859779	984408266	/nfs/dbraw/zinc/40/82/66/984408266.db2.gz	WSQUBPBEHXVOFM-GFCCVEGCSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-]	ZINC001588860468	984413303	/nfs/dbraw/zinc/41/33/03/984413303.db2.gz	VNAYIOZSROKDSO-QMMMGPOBSA-N	-1	0	321.255	0.825	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc([S@](C)=O)c1)C(=O)[O-]	ZINC001588861055	984414160	/nfs/dbraw/zinc/41/41/60/984414160.db2.gz	AESGCJQYGXYFRF-GTJPDFRWSA-N	-1	0	311.359	0.810	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-]	ZINC001588866856	984428247	/nfs/dbraw/zinc/42/82/47/984428247.db2.gz	ROHWHRCDIIDCTK-ZETCQYMHSA-N	-1	0	323.758	0.008	20	30		DCEDRM
C=CCOC[C@@H]1NC(=O)N(Cc2cc(C(=O)[O-])c(C)o2)C1=O	ZINC001588867072	984429765	/nfs/dbraw/zinc/42/97/65/984429765.db2.gz	VXRBFDSYPCTHTG-NSHDSACASA-N	-1	0	308.290	0.909	20	30		DCEDRM
C=CCOCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588868990	984437244	/nfs/dbraw/zinc/43/72/44/984437244.db2.gz	JOOJORCYGVYMPQ-RQJABVFESA-N	-1	0	308.378	0.585	20	30		DCEDRM
C=CCSCCNC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588879630	984458549	/nfs/dbraw/zinc/45/85/49/984458549.db2.gz	HUKDINWUWXUJIC-ZJUUUORDSA-N	-1	0	316.379	0.421	20	30		DCEDRM
C=CCc1cc(C(=O)NC[C@H](O)CC(=O)[O-])cc(OC)c1OC	ZINC001588881936	984461549	/nfs/dbraw/zinc/46/15/49/984461549.db2.gz	IIZGHVOROYLTKI-GFCCVEGCSA-N	-1	0	323.345	0.998	20	30		DCEDRM
C=CCn1c(-c2cn(C)nn2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588890226	984484640	/nfs/dbraw/zinc/48/46/40/984484640.db2.gz	UEVZRACOGASNJS-NXEZZACHSA-N	-1	0	317.353	0.417	20	30		DCEDRM
C=CCn1c([C@@H]2COCCN2C)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588896616	984503036	/nfs/dbraw/zinc/50/30/36/984503036.db2.gz	COFYHHAHPRYIOC-NEPJUHHUSA-N	-1	0	321.381	0.378	20	30		DCEDRM
C=CCn1c(N2CCC(C(=O)[O-])CC2)nnc1[C@]1(O)CCOC1	ZINC001588904219	984527732	/nfs/dbraw/zinc/52/77/32/984527732.db2.gz	LQRNBFVMUGLVRC-HNNXBMFYSA-N	-1	0	322.365	0.373	20	30		DCEDRM
C=CCn1c(Cc2cc[nH]n2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588904287	984528176	/nfs/dbraw/zinc/52/81/76/984528176.db2.gz	NQBTUMJWENIXBO-NSHDSACASA-N	-1	0	318.337	0.068	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001588916834	984563922	/nfs/dbraw/zinc/56/39/22/984563922.db2.gz	HBWOGPOPVORWAU-QCNOEVLYSA-N	-1	0	311.334	0.442	20	30		DCEDRM
CC#CCCCC(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588925217	984585749	/nfs/dbraw/zinc/58/57/49/984585749.db2.gz	NAOURQDRHXUMJY-NSHDSACASA-N	-1	0	304.350	0.707	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC001588925463	984586953	/nfs/dbraw/zinc/58/69/53/984586953.db2.gz	QYWSNKDVOBLHRH-JTQLQIEISA-N	-1	0	315.347	0.647	20	30		DCEDRM
CC#CCCNC(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl	ZINC001588927319	984597729	/nfs/dbraw/zinc/59/77/29/984597729.db2.gz	SPTBCWGQGKKUSU-UHFFFAOYSA-N	-1	0	309.709	0.901	20	30		DCEDRM
C[Si](C)(C)C#CCCNC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001599940656	985450682	/nfs/dbraw/zinc/45/06/82/985450682.db2.gz	ZJZYUVBIIOCWPE-UHFFFAOYSA-N	-1	0	320.421	0.934	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](F)C(=O)[O-]	ZINC001599940752	985451614	/nfs/dbraw/zinc/45/16/14/985451614.db2.gz	QMWNRVFLDWXHGA-NSHDSACASA-N	-1	0	309.297	0.747	20	30		DCEDRM
C[C@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC001594524812	986025721	/nfs/dbraw/zinc/02/57/21/986025721.db2.gz	DZECNXKYOHYMRN-NSHDSACASA-N	-1	0	303.384	0.101	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001599973472	986048512	/nfs/dbraw/zinc/04/85/12/986048512.db2.gz	VAHJGIOVXYEOKH-UHFFFAOYSA-N	-1	0	311.301	0.854	20	30		DCEDRM
Cc1c(C(=O)N2CCOC[C@H]2CC(=O)[O-])cnn1CCC#N	ZINC001599976383	986097114	/nfs/dbraw/zinc/09/71/14/986097114.db2.gz	FIHUQMNOZIAWHD-LLVKDONJSA-N	-1	0	306.322	0.421	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001589330429	986172455	/nfs/dbraw/zinc/17/24/55/986172455.db2.gz	DYEULYKUXXAWPP-LURJTMIESA-N	-1	0	311.244	0.877	20	30		DCEDRM
CC(C)(C(=O)NC[C@H](O)CC(=O)[O-])c1cc(F)cc(C#N)c1	ZINC001589569966	987337428	/nfs/dbraw/zinc/33/74/28/987337428.db2.gz	BYMQZAFYLSLOHF-GFCCVEGCSA-N	-1	0	308.309	0.927	20	30		DCEDRM
CSc1ccc(NC(=O)NCC(=O)NCC#N)cc1C(=O)[O-]	ZINC001599816924	988443042	/nfs/dbraw/zinc/44/30/42/988443042.db2.gz	AUUWNCXTTFWBLJ-UHFFFAOYSA-N	-1	0	322.346	0.868	20	30		DCEDRM
CSc1nc(C2CC2)cc(C(=O)N[C@@H](CO)C(=O)[O-])c1C#N	ZINC001599827730	988623423	/nfs/dbraw/zinc/62/34/23/988623423.db2.gz	JPILIGJEBRXNHR-NSHDSACASA-N	-1	0	321.358	0.728	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C[C@H]1CC(=O)[O-]	ZINC001599849724	988992496	/nfs/dbraw/zinc/99/24/96/988992496.db2.gz	QUSNGQCMWCKOIV-GRYCIOLGSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@H]1C(=O)[O-]	ZINC001599852193	989030586	/nfs/dbraw/zinc/03/05/86/989030586.db2.gz	LLTWZGJMABVQGW-LDYMZIIASA-N	-1	0	319.292	0.815	20	30		DCEDRM
C[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599864760	989227297	/nfs/dbraw/zinc/22/72/97/989227297.db2.gz	IEEWKAKFKAOKCP-JIMOISOXSA-N	-1	0	303.318	0.259	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)N1CC(C#N)C1	ZINC001590116713	989316134	/nfs/dbraw/zinc/31/61/34/989316134.db2.gz	IHIMJTJJLKSUSJ-JTQLQIEISA-N	-1	0	311.338	0.726	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001590615183	990287612	/nfs/dbraw/zinc/28/76/12/990287612.db2.gz	MWVAQCZMSQPFJB-LLVKDONJSA-N	-1	0	321.377	0.756	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1	ZINC001598287714	991190307	/nfs/dbraw/zinc/19/03/07/991190307.db2.gz	LPGRUCACHAIUTA-UHFFFAOYSA-N	-1	0	314.305	0.622	20	30		DCEDRM
COc1ncc(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1C#N	ZINC001599733827	991744871	/nfs/dbraw/zinc/74/48/71/991744871.db2.gz	HDJNCWSFQSOJHK-GXSJLCMTSA-N	-1	0	320.305	0.261	20	30		DCEDRM
COc1ncc(NC(=O)N2CC[C@](OC)(C(=O)[O-])C2)cc1C#N	ZINC001599733845	991745223	/nfs/dbraw/zinc/74/52/23/991745223.db2.gz	HFEUQSNFOMLCPN-CQSZACIVSA-N	-1	0	320.305	0.669	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(C#N)s1	ZINC001598470927	992024916	/nfs/dbraw/zinc/02/49/16/992024916.db2.gz	IGJPEDLXNKRRBF-UHFFFAOYSA-N	-1	0	303.365	0.361	20	30		DCEDRM
C=C(Cl)CN1CC[C@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001393126207	992705886	/nfs/dbraw/zinc/70/58/86/992705886.db2.gz	RODQGEXHHOPJDE-LBPRGKRZSA-N	-1	0	315.761	0.022	20	30		DCEDRM
CN1C[C@H](C(=O)[O-])N(C(=O)c2cc(C#N)ccc2F)CC1=O	ZINC001598564860	993131051	/nfs/dbraw/zinc/13/10/51/993131051.db2.gz	LFDPCKUNSOJQBI-LLVKDONJSA-N	-1	0	305.265	0.065	20	30		DCEDRM
CNC(=O)Cn1cc(Nc2ccc(C(=O)[O-])nc2C#N)cn1	ZINC001598650225	994430593	/nfs/dbraw/zinc/43/05/93/994430593.db2.gz	ACKHXQUZDRKAQH-UHFFFAOYSA-N	-1	0	300.278	0.338	20	30		DCEDRM
CC(C)(C)OC(=O)NC[C@](C)(O)CN(CC#N)CCC(=O)[O-]	ZINC001593406485	995171732	/nfs/dbraw/zinc/17/17/32/995171732.db2.gz	CGUCFCFIBCWIAK-AWEZNQCLSA-N	-1	0	315.370	0.562	20	30		DCEDRM
CO[C@@H]1C[C@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1(C)C	ZINC001465639055	1016013993	/nfs/dbraw/zinc/01/39/93/1016013993.db2.gz	IRGJPJTXGPLHMR-WDEREUQCSA-N	-1	0	320.349	0.140	20	30		DCEDRM
CC1(C#N)CN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1	ZINC001593742579	996361428	/nfs/dbraw/zinc/36/14/28/996361428.db2.gz	BIYSXLXNWFSALL-CQSZACIVSA-N	-1	0	313.357	0.870	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1	ZINC001593762563	996431944	/nfs/dbraw/zinc/43/19/44/996431944.db2.gz	OKFALCGSGBZEGQ-LRDDRELGSA-N	-1	0	321.377	0.852	20	30		DCEDRM
COC(=O)CC[C@@H](NC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC001598858021	996654448	/nfs/dbraw/zinc/65/44/48/996654448.db2.gz	XEGPOTYWYWRWSN-GFCCVEGCSA-N	-1	0	304.302	0.889	20	30		DCEDRM
CCC(=O)[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001466146368	1016056718	/nfs/dbraw/zinc/05/67/18/1016056718.db2.gz	IXRJSFZYRSMMSQ-LLVKDONJSA-N	-1	0	318.333	0.181	20	30		DCEDRM
COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N[C@H](C)CC#N)c1	ZINC001599487127	996870213	/nfs/dbraw/zinc/87/02/13/996870213.db2.gz	LZLCTJSAUNXOHN-MRVPVSSYSA-N	-1	0	305.290	0.750	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)C1	ZINC001599077459	996909205	/nfs/dbraw/zinc/90/92/05/996909205.db2.gz	JZSNISOKCMOAAD-ZDUSSCGKSA-N	-1	0	306.278	0.729	20	30		DCEDRM
COc1cc(C(=O)OCC(=O)NCCC(=O)[O-])ccc1C#N	ZINC001599386128	996948098	/nfs/dbraw/zinc/94/80/98/996948098.db2.gz	LLUVASCCBYJCIN-UHFFFAOYSA-N	-1	0	306.274	0.315	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)Cc1cccc(C#N)c1	ZINC001598892428	997017549	/nfs/dbraw/zinc/01/75/49/997017549.db2.gz	KGTOBVAKKONLKO-GFCCVEGCSA-N	-1	0	304.302	0.623	20	30		DCEDRM
C[C@@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H](C)O1	ZINC001466621690	1016095885	/nfs/dbraw/zinc/09/58/85/1016095885.db2.gz	AGVLABWNGJANMW-PEGIJTEDSA-N	-1	0	320.349	0.283	20	30		DCEDRM
COC(=O)c1cc(C#N)c(=O)n(C[C@H]2CC(C(=O)[O-])=C(C)O2)c1	ZINC001598919086	997530702	/nfs/dbraw/zinc/53/07/02/997530702.db2.gz	SNJMVQKWTAGMGF-LLVKDONJSA-N	-1	0	318.285	0.654	20	30		DCEDRM
C[C@]1(NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCOC1	ZINC001594061950	997857211	/nfs/dbraw/zinc/85/72/11/997857211.db2.gz	QETOMXQSFPVNKG-ZDUSSCGKSA-N	-1	0	310.331	0.714	20	30		DCEDRM
CC[C@@]1(C)NC(=O)N(NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1=O	ZINC001467662992	1016189871	/nfs/dbraw/zinc/18/98/71/1016189871.db2.gz	JLOSDLPWYATZTG-CQSZACIVSA-N	-1	0	317.305	0.333	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(C#N)n1	ZINC001594142329	998454329	/nfs/dbraw/zinc/45/43/29/998454329.db2.gz	SEDLMDQIORSSCW-WPRPVWTQSA-N	-1	0	302.290	0.213	20	30		DCEDRM
C[C@H]1C[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c2ncnn21	ZINC001594253622	998976830	/nfs/dbraw/zinc/97/68/30/998976830.db2.gz	RJEWIFUJTJTVCJ-UWVGGRQHSA-N	-1	0	318.337	0.684	20	30		DCEDRM
COC(CN(CCC(=O)[O-])C(=O)c1ccnc(C#N)c1)OC	ZINC001599046947	999157232	/nfs/dbraw/zinc/15/72/32/999157232.db2.gz	WTPVNHMNDRGUNM-UHFFFAOYSA-N	-1	0	307.306	0.489	20	30		DCEDRM
CC[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H](CC)O1	ZINC001469192904	1016319403	/nfs/dbraw/zinc/31/94/03/1016319403.db2.gz	ARDCWWDZWCBRQW-RYUDHWBXSA-N	-1	0	320.349	0.237	20	30		DCEDRM
C[C@@H]1CN(C(=O)NC2CC(CC(=O)[O-])C2)C[C@@H](C)N1CC#N	ZINC001594471673	999705257	/nfs/dbraw/zinc/70/52/57/999705257.db2.gz	ZVTOEYASZYXNJK-OKZRHMCRSA-N	-1	0	308.382	0.867	20	30		DCEDRM
C[C@H](C#N)C(=O)NC1CN(Cc2nc(=O)c3sccc3[n-]2)C1	ZINC001418975477	1000659198	/nfs/dbraw/zinc/65/91/98/1000659198.db2.gz	JZOBOTSPFPFYDG-MRVPVSSYSA-N	-1	0	317.374	0.857	20	30		DCEDRM
CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001419913696	1001404155	/nfs/dbraw/zinc/40/41/55/1001404155.db2.gz	WQPJPSWVJWTIDY-UHFFFAOYSA-N	-1	0	313.317	0.906	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@H](c3ccc(O)cc3)C2)c(C#N)c1=O	ZINC001472845244	1016859527	/nfs/dbraw/zinc/85/95/27/1016859527.db2.gz	PIAKLEZCMQLNSF-NSHDSACASA-N	-1	0	312.329	0.645	20	30		DCEDRM
COC(=O)[C@]1(C)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001417672192	1005864988	/nfs/dbraw/zinc/86/49/88/1005864988.db2.gz	ZBZGWAJQWDULAE-OAHLLOKOSA-N	-1	0	303.318	0.993	20	30		DCEDRM
C#Cc1cccc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC001436733132	1006310217	/nfs/dbraw/zinc/31/02/17/1006310217.db2.gz	KVUFYMWWGSJLPJ-UHFFFAOYSA-N	-1	0	307.313	0.369	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1	ZINC001418368836	1006435883	/nfs/dbraw/zinc/43/58/83/1006435883.db2.gz	YFBCKZPCICFYED-GXSJLCMTSA-N	-1	0	323.374	0.663	20	30		DCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccc(F)cc1	ZINC001441814833	1008514793	/nfs/dbraw/zinc/51/47/93/1008514793.db2.gz	MELLDRGXDBMVDE-UHFFFAOYSA-N	-1	0	302.265	0.623	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H]2CCC(F)(F)C2)c(=O)[n-]c1=O	ZINC001453841545	1008754409	/nfs/dbraw/zinc/75/44/09/1008754409.db2.gz	IPMDHFGIGZCIJU-QMMMGPOBSA-N	-1	0	312.276	0.372	20	30		DCEDRM
CC(C)(C)C[C@H](O)CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001453847156	1008756562	/nfs/dbraw/zinc/75/65/62/1008756562.db2.gz	YHIWPAAJDBRORU-LLVKDONJSA-N	-1	0	322.365	0.124	20	30		DCEDRM
CCN(C(=O)c1[n-]c(=O)c(C#N)cc1C)[C@H]1CCS(=O)(=O)C1	ZINC001433626210	1009016128	/nfs/dbraw/zinc/01/61/28/1009016128.db2.gz	NDJXXXDRPCBWCW-NSHDSACASA-N	-1	0	323.374	0.617	20	30		DCEDRM
C[C@H]1CCC[C@@H](CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001433631579	1009020871	/nfs/dbraw/zinc/02/08/71/1009020871.db2.gz	MPZUVUHTDGEWFU-WDEREUQCSA-N	-1	0	304.350	0.763	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)C1CCS(=O)CC1	ZINC001433700119	1009091500	/nfs/dbraw/zinc/09/15/00/1009091500.db2.gz	REUCOYKHNFEJNZ-UHFFFAOYSA-N	-1	0	307.375	0.950	20	30		DCEDRM
CCc1ccccc1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001433727701	1009124360	/nfs/dbraw/zinc/12/43/60/1009124360.db2.gz	PYVKZOJVKSSVKM-UHFFFAOYSA-N	-1	0	312.329	0.699	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1Cl	ZINC001434273334	1009710128	/nfs/dbraw/zinc/71/01/28/1009710128.db2.gz	DGBTXZBAXOTWBM-NSHDSACASA-N	-1	0	318.724	0.938	20	30		DCEDRM
C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434280879	1009721107	/nfs/dbraw/zinc/72/11/07/1009721107.db2.gz	CODPFHUAPHHJBD-COMAGPEQSA-N	-1	0	320.349	0.139	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)[C@@]2(C#N)CC23CCCC3)n[n-]1	ZINC001434428854	1009940913	/nfs/dbraw/zinc/94/09/13/1009940913.db2.gz	YCYIFNHSJPIPOL-LBPRGKRZSA-N	-1	0	309.351	0.621	20	30		DCEDRM
Cc1[nH][nH]c(=O)c1CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001443448011	1010412728	/nfs/dbraw/zinc/41/27/28/1010412728.db2.gz	ROPGDTNYWKGNGD-SNVBAGLBSA-N	-1	0	301.306	0.209	20	30		DCEDRM
Cc1c(C(=O)NCCCc2n[nH]c(=O)[n-]2)cnn1CCC#N	ZINC001457669922	1011799397	/nfs/dbraw/zinc/79/93/97/1011799397.db2.gz	FVEYAGLVGDOXIF-UHFFFAOYSA-N	-1	0	303.326	0.292	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001535780874	1011975392	/nfs/dbraw/zinc/97/53/92/1011975392.db2.gz	JOUZXVFNOXLOBJ-UHFFFAOYSA-N	-1	0	322.365	0.290	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1noc2c1COCC2	ZINC001515188868	1017104608	/nfs/dbraw/zinc/10/46/08/1017104608.db2.gz	NDFMCBGSWRJENU-JTQLQIEISA-N	-1	0	321.333	0.613	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)[N-]OCc2ccccn2)cc1	ZINC001556953254	1012241811	/nfs/dbraw/zinc/24/18/11/1012241811.db2.gz	VUSCZPVNLZROSM-UHFFFAOYSA-N	-1	0	310.313	0.931	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC2(CCO2)CC1	ZINC001520447080	1017276795	/nfs/dbraw/zinc/27/67/95/1017276795.db2.gz	AQKZEYVHPRPMJH-UHFFFAOYSA-N	-1	0	316.365	0.447	20	30		DCEDRM
C=CCOCC(=O)NCCN(C(=O)c1n[nH]c(C)c1[O-])C1CC1	ZINC001497405989	1018116623	/nfs/dbraw/zinc/11/66/23/1018116623.db2.gz	UKDGIHXTBUYQCE-UHFFFAOYSA-N	-1	0	322.365	0.347	20	30		DCEDRM
C=C(C)CCC(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O	ZINC001496114605	1019081411	/nfs/dbraw/zinc/08/14/11/1019081411.db2.gz	YLTRROIGNBINEJ-UHFFFAOYSA-N	-1	0	322.365	0.030	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ncc(C(=O)[O-])s1	ZINC001609765315	1171080771	/nfs/dbraw/zinc/08/07/71/1171080771.db2.gz	ZHIJPYMSPBAXIB-ZCFIWIBFSA-N	-1	0	306.307	0.182	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC001610258759	1171211225	/nfs/dbraw/zinc/21/12/25/1171211225.db2.gz	WLCBTJUOLJOPDS-UHFFFAOYSA-N	-1	0	312.347	0.854	20	30		DCEDRM
C=CCNC(=O)CNC(=O)CSc1n[n-]c(=S)s1	ZINC000271983012	209359344	/nfs/dbraw/zinc/35/93/44/209359344.db2.gz	NQFIXXFGBWKYKQ-UHFFFAOYSA-N	-1	0	304.422	0.337	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2cn(C)c(C)n2)nn1CCC#N	ZINC000271066634	238281402	/nfs/dbraw/zinc/28/14/02/238281402.db2.gz	MVEHAJWLLOUNJK-UHFFFAOYSA-N	-1	0	308.367	0.948	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-]	ZINC000275049718	212094248	/nfs/dbraw/zinc/09/42/48/212094248.db2.gz	SEULGTNVRZAOGH-VIFPVBQESA-N	-1	0	315.303	0.211	20	30		DCEDRM
C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000274885319	212008057	/nfs/dbraw/zinc/00/80/57/212008057.db2.gz	DRVPKLDSXCURND-QUBYGPBYSA-N	-1	0	318.738	0.324	20	30		DCEDRM
COCCOCCS(=O)(=O)[N-]c1nn(C(C)C)cc1C#N	ZINC000339073267	253028214	/nfs/dbraw/zinc/02/82/14/253028214.db2.gz	WEICHRVANBZVFU-UHFFFAOYSA-N	-1	0	316.383	0.740	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CNC3=O)cn1	ZINC000340975240	253331051	/nfs/dbraw/zinc/33/10/51/253331051.db2.gz	SMUBDSWXUWWOEI-UHFFFAOYSA-N	-1	0	314.326	0.997	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cn1	ZINC000347713650	254181738	/nfs/dbraw/zinc/18/17/38/254181738.db2.gz	CUDDTHGDXPYSFX-UHFFFAOYSA-N	-1	0	318.314	0.559	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)NC1(c2nnn[n-]2)CC1	ZINC000348292967	254230072	/nfs/dbraw/zinc/23/00/72/254230072.db2.gz	LXXZLFBHEAHDBY-UHFFFAOYSA-N	-1	0	314.305	0.264	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)[n-]c1C#N	ZINC000031287879	395706269	/nfs/dbraw/zinc/70/62/69/395706269.db2.gz	RDDHNQYXJLJMFX-VIFPVBQESA-N	-1	0	324.300	0.733	20	30		DCEDRM
C#CCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000092192923	395729737	/nfs/dbraw/zinc/72/97/37/395729737.db2.gz	VPISTDGLXXVDPG-GFCCVEGCSA-N	-1	0	324.358	0.923	20	30		DCEDRM
N#Cc1nc(NC(=O)CCCCN2CCOCC2)[n-]c1C#N	ZINC000195293473	395823516	/nfs/dbraw/zinc/82/35/16/395823516.db2.gz	YBHKKSSDMAUENH-UHFFFAOYSA-N	-1	0	302.338	0.594	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)c(C)c1	ZINC000234617104	395890151	/nfs/dbraw/zinc/89/01/51/395890151.db2.gz	VVUPPJYMHHHKJJ-UHFFFAOYSA-N	-1	0	312.347	0.588	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000235627142	395893114	/nfs/dbraw/zinc/89/31/14/395893114.db2.gz	ODAVBQVHSGCTFB-UWVGGRQHSA-N	-1	0	309.347	0.827	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCOCC(=O)[O-])c(Cl)c1	ZINC000126088604	395909246	/nfs/dbraw/zinc/90/92/46/395909246.db2.gz	XLLOKTNDOLSUJO-UHFFFAOYSA-N	-1	0	318.738	0.591	20	30		DCEDRM
C#CCN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1cccs1	ZINC000142571289	395960110	/nfs/dbraw/zinc/96/01/10/395960110.db2.gz	MNERAUULGMVYSA-SNVBAGLBSA-N	-1	0	300.405	0.897	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000159607949	396069306	/nfs/dbraw/zinc/06/93/06/396069306.db2.gz	HAWUUNIPDLLYJZ-JTQLQIEISA-N	-1	0	300.292	0.902	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000184866077	396309654	/nfs/dbraw/zinc/30/96/54/396309654.db2.gz	SSALCPDJRPRFCJ-UHFFFAOYSA-N	-1	0	317.330	0.973	20	30		DCEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccn(C(C)(C)C(=O)OC)n1	ZINC000594698479	396498231	/nfs/dbraw/zinc/49/82/31/396498231.db2.gz	AHAFCTUZJAWHLC-VIFPVBQESA-N	-1	0	314.367	0.835	20	30		DCEDRM
CCOC[C@@H](NS(=O)(=O)c1cc(C#N)ccc1C)C(=O)[O-]	ZINC000290940992	396476065	/nfs/dbraw/zinc/47/60/65/396476065.db2.gz	KUDDJJRXSNZUKR-LLVKDONJSA-N	-1	0	312.347	0.635	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2C[C@H]3CCC[C@@]3(C(=O)[O-])C2)c1	ZINC000581580325	396566369	/nfs/dbraw/zinc/56/63/69/396566369.db2.gz	UDDJSXWIDVGWCI-BXUZGUMPSA-N	-1	0	321.358	0.829	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C(=O)[O-]	ZINC000595237919	396567698	/nfs/dbraw/zinc/56/76/98/396567698.db2.gz	KJEPULAEVHHCOS-SNVBAGLBSA-N	-1	0	319.317	0.897	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)[O-]	ZINC000540999979	396610476	/nfs/dbraw/zinc/61/04/76/396610476.db2.gz	QQUNSPPRTZCYPH-UTUOFQBUSA-N	-1	0	302.396	0.665	20	30		DCEDRM
N#Cc1ccnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000595968528	396699108	/nfs/dbraw/zinc/69/91/08/396699108.db2.gz	UFAVODSCFBPHOE-NOZJJQNGSA-N	-1	0	304.262	0.399	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)CC1(C#N)CCOCC1	ZINC000595988324	396704279	/nfs/dbraw/zinc/70/42/79/396704279.db2.gz	HCFWFDDYIWGBRL-HNNXBMFYSA-N	-1	0	310.350	0.789	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C[C@H]1C(=O)[O-]	ZINC000595990524	396704314	/nfs/dbraw/zinc/70/43/14/396704314.db2.gz	QCIYSJFKZNLSLH-UEKVPHQBSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@@H](C#N)N(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)C1CC1	ZINC000600095377	396736124	/nfs/dbraw/zinc/73/61/24/396736124.db2.gz	PICKWMNXKFUNDI-VIFPVBQESA-N	-1	0	308.363	0.970	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCC1	ZINC000590899056	396854504	/nfs/dbraw/zinc/85/45/04/396854504.db2.gz	QGMUNRKVFOWMCH-SNVBAGLBSA-N	-1	0	302.352	0.186	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)[O-]	ZINC000634654574	396893842	/nfs/dbraw/zinc/89/38/42/396893842.db2.gz	MPUNVSLBZGWQQW-NSHDSACASA-N	-1	0	313.379	0.845	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1	ZINC000591563630	396928901	/nfs/dbraw/zinc/92/89/01/396928901.db2.gz	ZRJRKQXSSGXVCV-OAHLLOKOSA-N	-1	0	319.292	0.716	20	30		DCEDRM
N#Cc1ccc(CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C2CC2)cc1	ZINC000612379730	397039315	/nfs/dbraw/zinc/03/93/15/397039315.db2.gz	AVMRJFJJFUJGDM-UHFFFAOYSA-N	-1	0	311.301	0.959	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597761614	397092750	/nfs/dbraw/zinc/09/27/50/397092750.db2.gz	SVGIETZXECTLAO-UHFFFAOYSA-N	-1	0	311.363	0.709	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC000597903229	397130128	/nfs/dbraw/zinc/13/01/28/397130128.db2.gz	WNNBPBVZFRUYAB-JTQLQIEISA-N	-1	0	323.374	0.805	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N(CCO)CCC(=O)[O-])c1	ZINC000619471128	397135035	/nfs/dbraw/zinc/13/50/35/397135035.db2.gz	YOYOSQLCQGHACP-UHFFFAOYSA-N	-1	0	312.347	0.210	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)CC(=O)[O-]	ZINC000619471666	397135072	/nfs/dbraw/zinc/13/50/72/397135072.db2.gz	YEZNVYIZUWKLMQ-NSHDSACASA-N	-1	0	312.347	0.521	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C[C@@H]1C(=O)[O-]	ZINC000592427906	397173753	/nfs/dbraw/zinc/17/37/53/397173753.db2.gz	XCFLWPKXOWRNBQ-ISTVAULSSA-N	-1	0	311.313	0.020	20	30		DCEDRM
C[C@@H](CSCCNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000592448361	397182005	/nfs/dbraw/zinc/18/20/05/397182005.db2.gz	BBZLIBGFWUVICM-VIFPVBQESA-N	-1	0	306.409	0.663	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CC[C@@](O)(CC#N)C2)c1	ZINC000592852650	397266510	/nfs/dbraw/zinc/26/65/10/397266510.db2.gz	DLSQDNJVLWPHMH-NYHFZMIOSA-N	-1	0	322.386	0.680	20	30		DCEDRM
CC(C)(C)[C@H]1CCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602094371	397298640	/nfs/dbraw/zinc/29/86/40/397298640.db2.gz	SMGZNWCPVULZSV-LLVKDONJSA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1	ZINC000592949089	397300301	/nfs/dbraw/zinc/30/03/01/397300301.db2.gz	DQNGXUCAJIWFCW-HNNXBMFYSA-N	-1	0	314.301	0.521	20	30		DCEDRM
CC(C)[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC000602107358	397303574	/nfs/dbraw/zinc/30/35/74/397303574.db2.gz	PIORXLYUJOPLAN-LLVKDONJSA-N	-1	0	322.390	0.421	20	30		DCEDRM
C[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H](C)C1	ZINC000602130843	397312777	/nfs/dbraw/zinc/31/27/77/397312777.db2.gz	XZQZQCGPLOVMJE-WDEREUQCSA-N	-1	0	304.350	0.715	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CC[C@@H](C3CC3)C2)c(=O)[n-]c1=O	ZINC000602133491	397313810	/nfs/dbraw/zinc/31/38/10/397313810.db2.gz	PYJMECLFXKHOJP-LLVKDONJSA-N	-1	0	302.334	0.469	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC(C3CC3)CC2)c(=O)[n-]c1=O	ZINC000602153920	397324624	/nfs/dbraw/zinc/32/46/24/397324624.db2.gz	QDRHJQOXCLAKSB-UHFFFAOYSA-N	-1	0	302.334	0.469	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000614316364	397420292	/nfs/dbraw/zinc/42/02/92/397420292.db2.gz	PQQTYMPEUWZXBJ-ZETCQYMHSA-N	-1	0	318.311	0.119	20	30		DCEDRM
COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cn1	ZINC000492731489	397524513	/nfs/dbraw/zinc/52/45/13/397524513.db2.gz	DOZGKODPZUWVOS-PLNGDYQASA-N	-1	0	324.362	0.494	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccc2c(c1)OCCO2	ZINC000493004233	397525564	/nfs/dbraw/zinc/52/55/64/397525564.db2.gz	JXIYEGSINKCMKE-ALCCZGGFSA-N	-1	0	321.354	0.940	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1	ZINC000117740378	158173056	/nfs/dbraw/zinc/17/30/56/158173056.db2.gz	SQQGBCDJCRPCQH-UHFFFAOYSA-N	-1	0	319.346	0.431	20	30		DCEDRM
N#Cc1cccnc1N1CCN(C(=O)NCCCC(=O)[O-])CC1	ZINC000263438910	158878353	/nfs/dbraw/zinc/87/83/53/158878353.db2.gz	CYRFWLFODOUAPX-UHFFFAOYSA-N	-1	0	317.349	0.650	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCO1	ZINC000408483342	160117739	/nfs/dbraw/zinc/11/77/39/160117739.db2.gz	BVSSTNAKPDSODU-GXSJLCMTSA-N	-1	0	309.347	0.573	20	30		DCEDRM
CC(C)N1C(=O)C[C@H](NS(=O)(=O)CC2(CC#N)CC2)C1=O	ZINC000333472423	415662576	/nfs/dbraw/zinc/66/25/76/415662576.db2.gz	WKNDQVJDAKEBBY-JTQLQIEISA-N	-1	0	313.379	0.136	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1	ZINC000291299337	415829872	/nfs/dbraw/zinc/82/98/72/415829872.db2.gz	QJBRSPOSBLIQDF-VIFPVBQESA-N	-1	0	316.766	0.688	20	30		DCEDRM
CN(C)C(=O)Cn1ccc([N-]c2nccc(C#N)c2[N+](=O)[O-])n1	ZINC000355819483	415869275	/nfs/dbraw/zinc/86/92/75/415869275.db2.gz	NTEMCNDMIYNRKB-UHFFFAOYSA-N	-1	0	315.293	0.890	20	30		DCEDRM
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCCC#N)c1	ZINC000344396081	415903811	/nfs/dbraw/zinc/90/38/11/415903811.db2.gz	UIIWECGXLRREJE-UHFFFAOYSA-N	-1	0	311.363	0.676	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]CCCCC#N	ZINC000134714262	415958124	/nfs/dbraw/zinc/95/81/24/415958124.db2.gz	VEKNXYBOJKPAKD-UHFFFAOYSA-N	-1	0	303.365	0.902	20	30		DCEDRM
C=CCCc1ccccc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000337673432	415994952	/nfs/dbraw/zinc/99/49/52/415994952.db2.gz	WXEGUVLFGBLPCR-UHFFFAOYSA-N	-1	0	315.333	0.884	20	30		DCEDRM
COC(=O)c1coc(S(=O)(=O)[N-]c2nn(C)cc2C#N)c1	ZINC000338207053	416058990	/nfs/dbraw/zinc/05/89/90/416058990.db2.gz	PEXQRUVCTDQJTQ-UHFFFAOYSA-N	-1	0	310.291	0.472	20	30		DCEDRM
COc1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)ccc1C#N	ZINC000356968525	416012552	/nfs/dbraw/zinc/01/25/52/416012552.db2.gz	XVIINNIHZFVWLT-NEPJUHHUSA-N	-1	0	304.302	0.815	20	30		DCEDRM
COC(=O)c1nscc1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000357148311	416038832	/nfs/dbraw/zinc/03/88/32/416038832.db2.gz	MBKVMNQRUVMQOP-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@H](C)C#N)c1	ZINC000340437395	416187319	/nfs/dbraw/zinc/18/73/19/416187319.db2.gz	YPTRFJRSQUEADD-MRVPVSSYSA-N	-1	0	324.362	0.658	20	30		DCEDRM
CS(=O)(=O)c1nnc(NC(=O)c2ccc(CC#N)cc2)[n-]1	ZINC000340460201	416188767	/nfs/dbraw/zinc/18/87/67/416188767.db2.gz	CBPBYTMQOKGPBK-UHFFFAOYSA-N	-1	0	305.319	0.527	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)c1	ZINC000346633694	416201284	/nfs/dbraw/zinc/20/12/84/416201284.db2.gz	KOURRRGDNJJVHR-UHFFFAOYSA-N	-1	0	317.326	1.541	20	30		DCEDRM
CC(C)N1CC[C@H](NC(=O)c2cccn3c([O-])nnc23)C1=O	ZINC000329361439	416165283	/nfs/dbraw/zinc/16/52/83/416165283.db2.gz	YOYYPKLNGKRALU-JTQLQIEISA-N	-1	0	303.322	0.749	20	30		DCEDRM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)o1	ZINC000358897644	416291647	/nfs/dbraw/zinc/29/16/47/416291647.db2.gz	NBKKWCDKAJPBHF-UHFFFAOYSA-N	-1	0	321.314	1.524	20	30		DCEDRM
CCCC[C@@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)[O-]	ZINC000263544225	416338120	/nfs/dbraw/zinc/33/81/20/416338120.db2.gz	FWHCNCVZYPOJTQ-LLVKDONJSA-N	-1	0	321.399	0.326	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000228698967	416327928	/nfs/dbraw/zinc/32/79/28/416327928.db2.gz	BDUNBJFSFFKFIJ-ZDUSSCGKSA-N	-1	0	309.347	0.971	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2ccnc(C#N)c2)C1=O	ZINC000416445874	416370116	/nfs/dbraw/zinc/37/01/16/416370116.db2.gz	NDEKKOHIBIYYOJ-STQMWFEESA-N	-1	0	302.334	0.497	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000422629954	416443229	/nfs/dbraw/zinc/44/32/29/416443229.db2.gz	YEMMHANBPKYMNC-SECBINFHSA-N	-1	0	324.308	0.763	20	30		DCEDRM
COC(=O)c1ccnc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1	ZINC000437311948	416582791	/nfs/dbraw/zinc/58/27/91/416582791.db2.gz	XGPSSJBCXZIACT-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C=CCCn1cc(C(=O)NCC2(C(=O)[O-])CCOCC2)nn1	ZINC000425247140	416688867	/nfs/dbraw/zinc/68/88/67/416688867.db2.gz	XQXFYNCRPUEZCA-UHFFFAOYSA-N	-1	0	308.338	0.465	20	30		DCEDRM
C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)CC1(CC#N)CC1	ZINC000519163030	416894395	/nfs/dbraw/zinc/89/43/95/416894395.db2.gz	NZFZXOPTUSLILT-BDAKNGLRSA-N	-1	0	304.393	0.858	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000616102803	416963221	/nfs/dbraw/zinc/96/32/21/416963221.db2.gz	YZLMJSRJHPHKSE-VIFPVBQESA-N	-1	0	314.363	0.097	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000564983771	416900888	/nfs/dbraw/zinc/90/08/88/416900888.db2.gz	FGRDGAJIVSFREX-OUAUKWLOSA-N	-1	0	303.384	0.365	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000615847769	416920435	/nfs/dbraw/zinc/92/04/35/416920435.db2.gz	CNFBPHGMLISETB-PWSUYJOCSA-N	-1	0	312.347	0.113	20	30		DCEDRM
COC(=O)c1nscc1S(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000446727139	416942397	/nfs/dbraw/zinc/94/23/97/416942397.db2.gz	BKZHVABVDHOFBM-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C#N)c(C)n1	ZINC000451087225	417299304	/nfs/dbraw/zinc/29/93/04/417299304.db2.gz	HQZALMGVLRDUHS-UHFFFAOYSA-N	-1	0	305.363	1.413	20	30		DCEDRM
C=C(C)COCCNC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000574592091	417486766	/nfs/dbraw/zinc/48/67/66/417486766.db2.gz	OURLYVLVFIBRBM-NWDGAFQWSA-N	-1	0	300.355	0.853	20	30		DCEDRM
N#CC1(CS(=O)(=O)NC[C@H](CC(=O)[O-])C(F)(F)F)CC1	ZINC000573076910	417466431	/nfs/dbraw/zinc/46/64/31/417466431.db2.gz	FHUAFLTZGFIKMG-ZETCQYMHSA-N	-1	0	314.285	0.863	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000573442426	417472084	/nfs/dbraw/zinc/47/20/84/417472084.db2.gz	IGQJXPYQUQJYNP-GHMZBOCLSA-N	-1	0	306.384	0.209	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N[C@H](Cc2ccco2)C(=O)[O-])CC1	ZINC000573925400	417475904	/nfs/dbraw/zinc/47/59/04/417475904.db2.gz	XUVPYGXQCBKQKF-LLVKDONJSA-N	-1	0	312.347	0.889	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1(C(=O)[O-])CCOCC1	ZINC000576204750	417588596	/nfs/dbraw/zinc/58/85/96/417588596.db2.gz	TUDAXONQGMVOES-NEPJUHHUSA-N	-1	0	312.366	0.901	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC000576231548	417592336	/nfs/dbraw/zinc/59/23/36/417592336.db2.gz	LDGWKPNJCGMWTI-MDZLAQPJSA-N	-1	0	315.395	0.509	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(=O)[O-]	ZINC000649250545	418214734	/nfs/dbraw/zinc/21/47/34/418214734.db2.gz	AISKFZFDVPNVNX-NEPJUHHUSA-N	-1	0	310.350	0.159	20	30		DCEDRM
N#Cc1ccccc1C=CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000370859933	262153882	/nfs/dbraw/zinc/15/38/82/262153882.db2.gz	IHQWHLDRCGKKPM-URWSZGRFSA-N	-1	0	310.317	0.685	20	30		DCEDRM
CCn1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C(N)=O)n1	ZINC000430984088	262626649	/nfs/dbraw/zinc/62/66/49/262626649.db2.gz	BEIHUQPJLZYXFI-UHFFFAOYSA-N	-1	0	319.346	0.674	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@](F)(CO)C2)cc1C#N	ZINC001649791323	1173227769	/nfs/dbraw/zinc/22/77/69/1173227769.db2.gz	CCMMZQWADSXSIA-CYBMUJFWSA-N	-1	0	311.338	0.927	20	30		DCEDRM
COC(=O)Cn1cc(NC(=O)c2ccc(C#N)c([O-])c2)cn1	ZINC000527481398	267371385	/nfs/dbraw/zinc/37/13/85/267371385.db2.gz	VQGMPLAFHMBPNW-UHFFFAOYSA-N	-1	0	300.274	0.886	20	30		DCEDRM
Cn1nccc1/C=C\C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000493017818	268135711	/nfs/dbraw/zinc/13/57/11/268135711.db2.gz	ODPOEBNQTQXUOL-IHWYPQMZSA-N	-1	0	317.330	0.205	20	30		DCEDRM
COC[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000547890618	288088987	/nfs/dbraw/zinc/08/89/87/288088987.db2.gz	PKFZAPWMNKABIX-VIFPVBQESA-N	-1	0	318.738	0.590	20	30		DCEDRM
COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1	ZINC000547916298	288091867	/nfs/dbraw/zinc/09/18/67/288091867.db2.gz	PFZUJWWHGIIPGY-UHFFFAOYSA-N	-1	0	312.347	0.670	20	30		DCEDRM
COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccccc1C#N	ZINC000548250688	288124931	/nfs/dbraw/zinc/12/49/31/288124931.db2.gz	SRJCNIGBDFLYMY-JTQLQIEISA-N	-1	0	312.347	0.668	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000273828830	303170460	/nfs/dbraw/zinc/17/04/60/303170460.db2.gz	WDBVPEGYLMQTIS-QMMMGPOBSA-N	-1	0	302.333	0.359	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(C(=O)[O-])o1	ZINC000569367828	332065001	/nfs/dbraw/zinc/06/50/01/332065001.db2.gz	PUKYGAZRAKNYHB-MRVPVSSYSA-N	-1	0	301.324	0.546	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@@]1(C)C(=O)[O-]	ZINC000578631877	332389881	/nfs/dbraw/zinc/38/98/81/332389881.db2.gz	DHIQPKRKBRUTQL-PWSUYJOCSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1C(=O)C(C)C	ZINC000408269705	332421936	/nfs/dbraw/zinc/42/19/36/332421936.db2.gz	LBDPKUSWVKXZNJ-NSHDSACASA-N	-1	0	302.396	0.656	20	30		DCEDRM
CSc1nn(CC(=O)N(CC#N)c2ccccc2)c(=O)[n-]1	ZINC000188174535	333323571	/nfs/dbraw/zinc/32/35/71/333323571.db2.gz	MIVWDLPSZKZCMI-UHFFFAOYSA-N	-1	0	303.347	0.850	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CC1CCC1)C(=O)[O-]	ZINC000584533037	337357413	/nfs/dbraw/zinc/35/74/13/337357413.db2.gz	ONXJGUOEPAGITG-PWSUYJOCSA-N	-1	0	317.411	0.946	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2ccncc2C#N)C1=O	ZINC000584579463	337367710	/nfs/dbraw/zinc/36/77/10/337367710.db2.gz	YUZHIFYIUNCSNC-QWHCGFSZSA-N	-1	0	302.334	0.497	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1	ZINC000571926842	337582080	/nfs/dbraw/zinc/58/20/80/337582080.db2.gz	HAASTDFOOVBYJQ-QWHCGFSZSA-N	-1	0	313.375	0.539	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CCOC(C)(C)C1)C(=O)[O-]	ZINC000514772779	337970670	/nfs/dbraw/zinc/97/06/70/337970670.db2.gz	JFIAKLPUPXFUQB-QWRGUYRKSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=CCNC(=O)CS(=O)(=O)c1nnc(-c2ccccc2F)[n-]1	ZINC000429900108	338091775	/nfs/dbraw/zinc/09/17/75/338091775.db2.gz	FIANHVNUMABYOV-UHFFFAOYSA-N	-1	0	324.337	0.687	20	30		DCEDRM
C#CCNC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC000491746380	339878241	/nfs/dbraw/zinc/87/82/41/339878241.db2.gz	VBXWDEIUTRNODF-STQMWFEESA-N	-1	0	315.329	0.346	20	30		DCEDRM
Cc1cc(S(=O)(=O)NC[C@H](C)C#N)ccc1OCC(=O)[O-]	ZINC000546255268	341159675	/nfs/dbraw/zinc/15/96/75/341159675.db2.gz	XWUIQUFLSVQZAI-SECBINFHSA-N	-1	0	312.347	0.896	20	30		DCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000546254970	341159726	/nfs/dbraw/zinc/15/97/26/341159726.db2.gz	OSJOGWSYJLXOIM-MRVPVSSYSA-N	-1	0	316.310	0.727	20	30		DCEDRM
C=CCCS(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000547897363	341238971	/nfs/dbraw/zinc/23/89/71/341238971.db2.gz	XXQYECBWBDWVOU-NSHDSACASA-N	-1	0	301.368	0.159	20	30		DCEDRM
N#CC1(CS(=O)(=O)NCCSCC(=O)[O-])CCCC1	ZINC000547910242	341239070	/nfs/dbraw/zinc/23/90/70/341239070.db2.gz	AKXPPBWGDATRNM-UHFFFAOYSA-N	-1	0	306.409	0.808	20	30		DCEDRM
N#CCCCS(=O)(=O)NC[C@H](Cc1ccccn1)C(=O)[O-]	ZINC000548533664	341265825	/nfs/dbraw/zinc/26/58/25/341265825.db2.gz	DAKODPSTTHCIEP-NSHDSACASA-N	-1	0	311.363	0.548	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N2CCC(C)(C#N)CC2)C[C@H]1C(=O)[O-]	ZINC000565775466	341537837	/nfs/dbraw/zinc/53/78/37/341537837.db2.gz	ULWPSYPHWIMYMD-VXGBXAGGSA-N	-1	0	321.377	0.708	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)C1CC1	ZINC000565837023	341539857	/nfs/dbraw/zinc/53/98/57/341539857.db2.gz	JTKJTDAGSBRFCS-CKYFFXLPSA-N	-1	0	317.411	0.802	20	30		DCEDRM
N#CC1(CS(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)CC1	ZINC000566240211	341551583	/nfs/dbraw/zinc/55/15/83/341551583.db2.gz	LNSOCUKSYHIADQ-UHFFFAOYSA-N	-1	0	316.379	0.576	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1cn2c(n1)CCCC2	ZINC001601073218	1159780354	/nfs/dbraw/zinc/78/03/54/1159780354.db2.gz	IRKWXLSEDBFUFF-UHFFFAOYSA-N	-1	0	312.351	0.208	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)CCCC)C(=O)[O-]	ZINC001602748920	1159785117	/nfs/dbraw/zinc/78/51/17/1159785117.db2.gz	KZTRQNSDSWMQFW-SNVBAGLBSA-N	-1	0	306.384	0.242	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H]([C@@H]2CCCO2)[C@H]1C(=O)[O-]	ZINC000563225613	517315606	/nfs/dbraw/zinc/31/56/06/517315606.db2.gz	JEPRGFQUBYBWDU-WOPDTQHZSA-N	-1	0	303.380	0.846	20	30		DCEDRM
CC(C)NC(=O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124082310	519708453	/nfs/dbraw/zinc/70/84/53/519708453.db2.gz	DMEGUEYDCIGFAW-UHFFFAOYSA-N	-1	0	317.317	0.639	20	30		DCEDRM
C=CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)[O-])CC2)c1	ZINC000263173238	526674992	/nfs/dbraw/zinc/67/49/92/526674992.db2.gz	SFOVNHYGOKIRKM-UHFFFAOYSA-N	-1	0	324.358	0.498	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CN1CCCCCCC1=O)C(=O)[O-]	ZINC000262889646	526803579	/nfs/dbraw/zinc/80/35/79/526803579.db2.gz	CUMBEJPMSDERAG-LBPRGKRZSA-N	-1	0	312.366	0.551	20	30		DCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)C(=O)[O-])cc1	ZINC000263235514	527047065	/nfs/dbraw/zinc/04/70/65/527047065.db2.gz	BNRLNKBZXWSOQJ-JTQLQIEISA-N	-1	0	324.358	0.143	20	30		DCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CC(=O)[O-])cc1	ZINC000263168440	527050681	/nfs/dbraw/zinc/05/06/81/527050681.db2.gz	QSTNZQKUVBTHEI-JTQLQIEISA-N	-1	0	324.358	0.191	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O	ZINC000291327746	527069896	/nfs/dbraw/zinc/06/98/96/527069896.db2.gz	UGIZGROGWUIGHE-INIZCTEOSA-N	-1	0	315.329	0.443	20	30		DCEDRM
C=CCC[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC000262797919	527436658	/nfs/dbraw/zinc/43/66/58/527436658.db2.gz	CKFRKGFGPRZCNV-GFCCVEGCSA-N	-1	0	316.313	0.818	20	30		DCEDRM
CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000356624201	527785986	/nfs/dbraw/zinc/78/59/86/527785986.db2.gz	PBESBGARKDWWFW-LLVKDONJSA-N	-1	0	318.395	0.304	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	ZINC000263251692	528379970	/nfs/dbraw/zinc/37/99/70/528379970.db2.gz	SWUYIDMGTZDSBZ-QWRGUYRKSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccno1)C(=O)OCC	ZINC001665796920	1174564642	/nfs/dbraw/zinc/56/46/42/1174564642.db2.gz	HGFFJDSUGMWCBA-LLVKDONJSA-N	-1	0	302.352	0.992	20	30		DCEDRM
COCC#CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000820703193	597501521	/nfs/dbraw/zinc/50/15/21/597501521.db2.gz	QWOAOBJCVFIZSO-AWEZNQCLSA-N	-1	0	316.313	0.899	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NC(=O)c1cccs1	ZINC000819865287	597622750	/nfs/dbraw/zinc/62/27/50/597622750.db2.gz	KFLWXSUUAWVZSQ-ZDUSSCGKSA-N	-1	0	324.314	0.552	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(C(=O)N2CCCC2)CC1	ZINC000819812168	597631565	/nfs/dbraw/zinc/63/15/65/597631565.db2.gz	ZAMWGWVVOPFCJY-HNNXBMFYSA-N	-1	0	322.365	0.351	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)COc1ccccc1	ZINC000819833992	597632875	/nfs/dbraw/zinc/63/28/75/597632875.db2.gz	LJNDGGCXGZFFKH-IAQYHMDHSA-N	-1	0	306.318	0.547	20	30		DCEDRM
CCOC(=O)N[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820369300	597635599	/nfs/dbraw/zinc/63/55/99/597635599.db2.gz	ZRKMZLIILVTOTD-HZMBPMFUSA-N	-1	0	311.338	0.728	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H](Cn2cccn2)C1	ZINC000819821172	597646994	/nfs/dbraw/zinc/64/69/94/597646994.db2.gz	DBYCKOCKIRPNNT-BXUZGUMPSA-N	-1	0	306.322	0.115	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H]1[C@@H](O)C(F)(F)F	ZINC000819811168	597658070	/nfs/dbraw/zinc/65/80/70/597658070.db2.gz	LAVPZIPNGNLWDA-JVUFJMBOSA-N	-1	0	308.256	0.905	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])N1CCOCC1	ZINC000819962174	598223169	/nfs/dbraw/zinc/22/31/69/598223169.db2.gz	KKZFSOLAXCYRAV-IUODEOHRSA-N	-1	0	311.382	0.464	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-n2nccn2)nc1	ZINC000819849483	598223438	/nfs/dbraw/zinc/22/34/38/598223438.db2.gz	ZQQOHJFXDAFRDD-CYBMUJFWSA-N	-1	0	300.278	0.605	20	30		DCEDRM
CNC(=O)c1cccc(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000820641008	598228471	/nfs/dbraw/zinc/22/84/71/598228471.db2.gz	JARUGOVUZIUOSF-MRXNPFEDSA-N	-1	0	317.345	0.709	20	30		DCEDRM
COc1ccc(C#N)cc1Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000821768871	607377907	/nfs/dbraw/zinc/37/79/07/607377907.db2.gz	AMOHLHHBAFTSQS-UHFFFAOYSA-N	-1	0	321.304	0.446	20	30		DCEDRM
C[C@H](C(=O)NCC(=O)[O-])N1CCN(c2ccccc2C#N)CC1	ZINC000736208290	599716186	/nfs/dbraw/zinc/71/61/86/599716186.db2.gz	MIPIDCDZLAMRKP-GFCCVEGCSA-N	-1	0	316.361	0.270	20	30		DCEDRM
N#C[C@H]1CN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCO1	ZINC000388099894	599994901	/nfs/dbraw/zinc/99/49/01/599994901.db2.gz	WXQBXHLMRNCVGU-LBPRGKRZSA-N	-1	0	305.290	0.906	20	30		DCEDRM
N#Cc1ccccc1Cn1cnc2c(cnn2CC(=O)[O-])c1=O	ZINC000739146451	600030540	/nfs/dbraw/zinc/03/05/40/600030540.db2.gz	FAMCEFUPTHWDJG-UHFFFAOYSA-N	-1	0	309.285	0.598	20	30		DCEDRM
C#Cc1ccc(C(=O)OCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)nc1	ZINC000736092621	600117957	/nfs/dbraw/zinc/11/79/57/600117957.db2.gz	IIPQIWDQWKCUMF-IINYFYTJSA-N	-1	0	318.329	0.835	20	30		DCEDRM
Cc1oc(NC(=O)COC(=O)[C@H]2C[C@@H]2C(=O)[O-])c(C#N)c1C	ZINC000738975033	600170998	/nfs/dbraw/zinc/17/09/98/600170998.db2.gz	KBSQNJBRUPSUQR-IUCAKERBSA-N	-1	0	306.274	0.971	20	30		DCEDRM
N#Cc1ccc(CNC(=O)COC(=O)CCNC(=O)[O-])cc1	ZINC000739117264	600203734	/nfs/dbraw/zinc/20/37/34/600203734.db2.gz	CHOMADJNGQFILN-UHFFFAOYSA-N	-1	0	305.290	0.375	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CCO1	ZINC000739067178	600322208	/nfs/dbraw/zinc/32/22/08/600322208.db2.gz	YIUHKOHLQWXPFG-SECBINFHSA-N	-1	0	321.264	0.213	20	30		DCEDRM
CC(=O)N1c2ccccc2C[C@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC000736140978	600404266	/nfs/dbraw/zinc/40/42/66/600404266.db2.gz	CMYAYTCIHVHUSI-ZDUSSCGKSA-N	-1	0	301.302	0.401	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCNC(=O)c1ccc(F)cc1	ZINC000739076573	600406720	/nfs/dbraw/zinc/40/67/20/600406720.db2.gz	AETOTQNZORZZIV-UHFFFAOYSA-N	-1	0	307.281	0.382	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)N2CCC(C(=O)[O-])CC2)nc1	ZINC000739120979	600561111	/nfs/dbraw/zinc/56/11/11/600561111.db2.gz	IEAXBEYBEMUXGZ-UHFFFAOYSA-N	-1	0	317.349	0.871	20	30		DCEDRM
N#Cc1ccc(OC[C@H](O)Cn2nc(C(=O)[O-])ccc2=O)cc1	ZINC000739128813	600600451	/nfs/dbraw/zinc/60/04/51/600600451.db2.gz	LDABSMXKLRVSMI-LLVKDONJSA-N	-1	0	315.285	0.253	20	30		DCEDRM
N#CCCN(CC1CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000738428735	600650407	/nfs/dbraw/zinc/65/04/07/600650407.db2.gz	RSFGMIHGAMHBGD-UHFFFAOYSA-N	-1	0	315.395	0.653	20	30		DCEDRM
N#CCN1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1	ZINC000739085735	600650272	/nfs/dbraw/zinc/65/02/72/600650272.db2.gz	JZEVHZXLMBSQOJ-UHFFFAOYSA-N	-1	0	323.374	0.144	20	30		DCEDRM
COC(=O)c1csc(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000737715132	600796196	/nfs/dbraw/zinc/79/61/96/600796196.db2.gz	YKNKNJVTZZABPO-UHFFFAOYSA-N	-1	0	318.332	0.134	20	30		DCEDRM
N#Cc1cccc(-c2nnc(CN3C[C@H](O)C[C@H]3C(=O)[O-])o2)c1	ZINC000833074515	600828127	/nfs/dbraw/zinc/82/81/27/600828127.db2.gz	ZMBIOXWKJFLJCL-NEPJUHHUSA-N	-1	0	314.301	0.628	20	30		DCEDRM
CC(=O)Nc1ccc(NC(=O)CN(CC#N)CC(=O)[O-])cc1	ZINC000825902933	601004743	/nfs/dbraw/zinc/00/47/43/601004743.db2.gz	KGNSNRBLFAFNPP-UHFFFAOYSA-N	-1	0	304.306	0.494	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCCN1CCc2ccccc21	ZINC000833065592	601226976	/nfs/dbraw/zinc/22/69/76/601226976.db2.gz	DSSYTQQAYUKWBG-UHFFFAOYSA-N	-1	0	316.361	0.075	20	30		DCEDRM
C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1cccc(C#N)c1	ZINC000827747953	601264435	/nfs/dbraw/zinc/26/44/35/601264435.db2.gz	WQMZLVGLRUNCIZ-SNVBAGLBSA-N	-1	0	311.363	0.860	20	30		DCEDRM
CC(=O)NC[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC000825875666	601318815	/nfs/dbraw/zinc/31/88/15/601318815.db2.gz	IPPXEMYPOXYEJW-HUUCEWRRSA-N	-1	0	317.345	0.521	20	30		DCEDRM
C#CCN1CCN(C(=O)COc2ccc(C)cc2C(=O)[O-])CC1	ZINC000825620228	601389078	/nfs/dbraw/zinc/38/90/78/601389078.db2.gz	YFHYRQMPVJKIDH-UHFFFAOYSA-N	-1	0	316.357	0.849	20	30		DCEDRM
C/C(=C/COC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000825758087	601427373	/nfs/dbraw/zinc/42/73/73/601427373.db2.gz	CIZDSRWGAGOXOU-CBWXWMMMSA-N	-1	0	308.290	0.477	20	30		DCEDRM
C#CCN1CCN(C(=O)CNc2cc(C(=O)[O-])ccc2F)CC1	ZINC000825618656	601577889	/nfs/dbraw/zinc/57/78/89/601577889.db2.gz	DMNSBGKLDHJMDN-UHFFFAOYSA-N	-1	0	319.336	0.713	20	30		DCEDRM
C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)C(=O)NCC(=O)[O-]	ZINC000827844646	601607340	/nfs/dbraw/zinc/60/73/40/601607340.db2.gz	SPHCBVKOZQJTSH-LURJTMIESA-N	-1	0	312.228	0.583	20	30		DCEDRM
N#C[C@H]1COCCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1	ZINC000833061579	601643739	/nfs/dbraw/zinc/64/37/39/601643739.db2.gz	DIMJRMJGAHTQDG-ZDUSSCGKSA-N	-1	0	318.333	0.617	20	30		DCEDRM
CN(CC(=O)NCC#N)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1	ZINC000830674260	601906522	/nfs/dbraw/zinc/90/65/22/601906522.db2.gz	HJUUDGNFHYKYJH-GFCCVEGCSA-N	-1	0	315.251	0.801	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)COc1ccccc1C#N	ZINC000829955750	602077351	/nfs/dbraw/zinc/07/73/51/602077351.db2.gz	SDICOTBRNLCFRC-GFCCVEGCSA-N	-1	0	306.318	0.885	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)C#Cc1ccc2c(c1)OCO2	ZINC000831545132	602392473	/nfs/dbraw/zinc/39/24/73/602392473.db2.gz	RBBIVESYCIXDIR-MRXNPFEDSA-N	-1	0	319.313	0.763	20	30		DCEDRM
C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@H]1C(=O)[O-]	ZINC000828310374	602396167	/nfs/dbraw/zinc/39/61/67/602396167.db2.gz	LLCMMNNPEKBTJR-ZYHUDNBSSA-N	-1	0	301.298	0.946	20	30		DCEDRM
CN(CC(=O)N(CCC#N)CCC#N)[C@H]1CCN(C(=O)[O-])C1	ZINC000828091021	603541649	/nfs/dbraw/zinc/54/16/49/603541649.db2.gz	UKSMYJHCWXVXJI-LBPRGKRZSA-N	-1	0	307.354	0.326	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cnc2ccccc2n1	ZINC000831091482	603591806	/nfs/dbraw/zinc/59/18/06/603591806.db2.gz	FXSOOCWJWXDUIF-JTQLQIEISA-N	-1	0	311.301	0.958	20	30		DCEDRM
C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825465294	603599046	/nfs/dbraw/zinc/59/90/46/603599046.db2.gz	JKADTXJPDCODHM-MWLCHTKSSA-N	-1	0	320.305	0.112	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)NC1(C#N)CCCCC1	ZINC000831091342	603729106	/nfs/dbraw/zinc/72/91/06/603729106.db2.gz	BSKXCYSLBNOTCG-GFCCVEGCSA-N	-1	0	319.365	0.517	20	30		DCEDRM
C#CCOc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000823466427	603771248	/nfs/dbraw/zinc/77/12/48/603771248.db2.gz	ABMAEUATBDPHLN-AAEUAGOBSA-N	-1	0	304.302	0.750	20	30		DCEDRM
C[C@@H](OC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000825545201	603792226	/nfs/dbraw/zinc/79/22/26/603792226.db2.gz	QSPYWUWOJIAXJA-RNCFNFMXSA-N	-1	0	315.301	0.382	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000831156493	603859981	/nfs/dbraw/zinc/85/99/81/603859981.db2.gz	ABOOBOUFBVGFAA-AWEZNQCLSA-N	-1	0	321.312	0.573	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)CN(CC2CC2)C(=O)[O-])C1	ZINC000831102572	603915683	/nfs/dbraw/zinc/91/56/83/603915683.db2.gz	NPSOQQJBQMTCHJ-ZDUSSCGKSA-N	-1	0	308.382	0.728	20	30		DCEDRM
N#CC1(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)CCC1	ZINC000831070046	603958046	/nfs/dbraw/zinc/95/80/46/603958046.db2.gz	COYIHFKGICQUJZ-UHFFFAOYSA-N	-1	0	319.325	0.237	20	30		DCEDRM
C[C@H](OC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000825552878	604034067	/nfs/dbraw/zinc/03/40/67/604034067.db2.gz	SFNOUBXZEHELCX-GARJFASQSA-N	-1	0	311.338	0.726	20	30		DCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000827111519	604040543	/nfs/dbraw/zinc/04/05/43/604040543.db2.gz	QJMFCVFSEBRKJX-GHMZBOCLSA-N	-1	0	311.338	0.728	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CNC(=O)C1CCCCC1	ZINC000831082221	604073612	/nfs/dbraw/zinc/07/36/12/604073612.db2.gz	IYMPBOLUVQIJQH-LBPRGKRZSA-N	-1	0	322.365	0.397	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cc1ccc2c(c1)OCO2	ZINC000831082960	604075241	/nfs/dbraw/zinc/07/52/41/604075241.db2.gz	TZLLFRREPANBTG-LLVKDONJSA-N	-1	0	317.301	0.672	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cc1ccc2c(c1)CCO2	ZINC000831082397	604081801	/nfs/dbraw/zinc/08/18/01/604081801.db2.gz	LUAACGKFBFRJER-CYBMUJFWSA-N	-1	0	315.329	0.878	20	30		DCEDRM
CN(C[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1)C(=O)[O-]	ZINC000828223669	604092704	/nfs/dbraw/zinc/09/27/04/604092704.db2.gz	OKBUKSJWXRMFON-DOMZBBRYSA-N	-1	0	308.382	0.869	20	30		DCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC000824861533	604121507	/nfs/dbraw/zinc/12/15/07/604121507.db2.gz	HJVJTDVKRZIGKZ-JTQLQIEISA-N	-1	0	305.338	0.727	20	30		DCEDRM
C[C@H]1CN(C(=O)Nc2nn(C)cc2C#N)CC[C@@H]1NC(=O)[O-]	ZINC000826022096	604154072	/nfs/dbraw/zinc/15/40/72/604154072.db2.gz	YYVQDHUOAPGNMV-WPRPVWTQSA-N	-1	0	306.326	0.802	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC(CNC(=O)[O-])CC2)n1	ZINC000830985703	604154778	/nfs/dbraw/zinc/15/47/78/604154778.db2.gz	UCYMSIRWVCKTSL-UHFFFAOYSA-N	-1	0	306.326	0.803	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])n1	ZINC000830985758	604154854	/nfs/dbraw/zinc/15/48/54/604154854.db2.gz	VZDIMXAIRORHBY-PSASIEDQSA-N	-1	0	306.326	0.850	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)NC2CCN(C(=O)[O-])CC2)c1	ZINC000831145822	604173772	/nfs/dbraw/zinc/17/37/72/604173772.db2.gz	BCRHWCZKKKHVMU-UHFFFAOYSA-N	-1	0	316.317	0.755	20	30		DCEDRM
C#CCCCCNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1	ZINC000823441047	604280703	/nfs/dbraw/zinc/28/07/03/604280703.db2.gz	QZVUCUOJFSLUAX-UHFFFAOYSA-N	-1	0	310.398	0.727	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2cccc(OCC(=O)[O-])c2)n1	ZINC000833078162	604281336	/nfs/dbraw/zinc/28/13/36/604281336.db2.gz	DZDCVAXDANHUSR-UHFFFAOYSA-N	-1	0	301.262	0.252	20	30		DCEDRM
CN1CCN(C(=O)Cc2cccc(C#N)c2)[C@@H](CNC(=O)[O-])C1	ZINC000828499910	604400127	/nfs/dbraw/zinc/40/01/27/604400127.db2.gz	BUVSEDWMXGJXPL-AWEZNQCLSA-N	-1	0	316.361	0.511	20	30		DCEDRM
C#CCNC(=O)COC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823455963	604542289	/nfs/dbraw/zinc/54/22/89/604542289.db2.gz	IFNNNJOFQRUDAX-VXGBXAGGSA-N	-1	0	310.350	0.695	20	30		DCEDRM
COC[C@@]1(C)NC(=O)N(Cc2cccc(C(=O)[O-])c2C#N)C1=O	ZINC000833722937	604549558	/nfs/dbraw/zinc/54/95/58/604549558.db2.gz	SHZIHEYMZIQQGT-OAHLLOKOSA-N	-1	0	317.301	0.713	20	30		DCEDRM
N#Cc1c(Cn2c(=O)onc2-c2ncccn2)cccc1C(=O)[O-]	ZINC000833760913	604551983	/nfs/dbraw/zinc/55/19/83/604551983.db2.gz	JEAFHFPYHKIXRK-UHFFFAOYSA-N	-1	0	323.268	0.911	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1ncc(C#N)cc1Cl	ZINC000831169867	604600042	/nfs/dbraw/zinc/60/00/42/604600042.db2.gz	AMQDBTIFLXRHRA-UHFFFAOYSA-N	-1	0	311.681	0.306	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN([C@@H](C)C(=O)N(C)CCC#N)CCO1	ZINC000825343521	604619512	/nfs/dbraw/zinc/61/95/12/604619512.db2.gz	IQHJNJXOIWTFTK-SDDRHHMPSA-N	-1	0	312.370	0.104	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)cn1	ZINC000823467448	604680285	/nfs/dbraw/zinc/68/02/85/604680285.db2.gz	WNIVODIPBMVPFK-MFKMUULPSA-N	-1	0	303.318	0.560	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833376420	604725742	/nfs/dbraw/zinc/72/57/42/604725742.db2.gz	FBSYMRJYVSGIOO-UHFFFAOYSA-N	-1	0	320.301	0.482	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)NC1CN(C(=O)[O-])C1	ZINC000740250872	604774618	/nfs/dbraw/zinc/77/46/18/604774618.db2.gz	BCFDCRZBMVULLO-UHFFFAOYSA-N	-1	0	319.365	0.825	20	30		DCEDRM
CC(C)(CNC(=O)C#Cc1ccc2c(c1)OCO2)NC(=O)[O-]	ZINC000823895137	604816761	/nfs/dbraw/zinc/81/67/61/604816761.db2.gz	OIQRQWYNBCYALY-UHFFFAOYSA-N	-1	0	304.302	0.929	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000825608920	604823202	/nfs/dbraw/zinc/82/32/02/604823202.db2.gz	NRACURZTUZMUMA-UHFFFAOYSA-N	-1	0	324.720	0.881	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C(C)(C)C(=O)[O-])CC1	ZINC000833466258	605045243	/nfs/dbraw/zinc/04/52/43/605045243.db2.gz	BLUBBNUEVSVMMM-CYBMUJFWSA-N	-1	0	324.425	0.474	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000833376225	605058990	/nfs/dbraw/zinc/05/89/90/605058990.db2.gz	YKPZDEBODBDKDH-UHFFFAOYSA-N	-1	0	310.281	0.781	20	30		DCEDRM
CC(C)(C#N)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000819901825	605121886	/nfs/dbraw/zinc/12/18/86/605121886.db2.gz	WKIMVOKNQOSOBH-UHFFFAOYSA-N	-1	0	303.318	0.918	20	30		DCEDRM
C=CCN1CCC(NS(=O)(=O)c2cc(C(=O)[O-])co2)CC1	ZINC000833377217	605202006	/nfs/dbraw/zinc/20/20/06/605202006.db2.gz	RNLWVHDQUFYTNZ-UHFFFAOYSA-N	-1	0	314.363	0.907	20	30		DCEDRM
C=C(COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(=O)OCC	ZINC000823480573	605223521	/nfs/dbraw/zinc/22/35/21/605223521.db2.gz	HDWLFOHHBKQHMZ-SNVBAGLBSA-N	-1	0	301.295	0.418	20	30		DCEDRM
C#CCCN1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000823445233	605278750	/nfs/dbraw/zinc/27/87/50/605278750.db2.gz	WHSKQECZRXJRPP-AWEZNQCLSA-N	-1	0	323.393	0.313	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000833377788	605288068	/nfs/dbraw/zinc/28/80/68/605288068.db2.gz	BHVOVAIXJWVDPC-GFCCVEGCSA-N	-1	0	304.368	0.093	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CCC[C@H]2CNC(=O)[O-])nc1	ZINC000823456999	605341508	/nfs/dbraw/zinc/34/15/08/605341508.db2.gz	UBTKZTLJUKCOGO-LBPRGKRZSA-N	-1	0	302.334	0.681	20	30		DCEDRM
CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000824368616	605346155	/nfs/dbraw/zinc/34/61/55/605346155.db2.gz	OBRVASMKZKZVKJ-UWVGGRQHSA-N	-1	0	313.379	0.705	20	30		DCEDRM
C#CCN(C[C@@H]1CC(C(=O)[O-])=C(C)O1)[C@@H]1CCS(=O)(=O)C1	ZINC000833364124	605359975	/nfs/dbraw/zinc/35/99/75/605359975.db2.gz	FAFGLQYEMLPVGL-NEPJUHHUSA-N	-1	0	313.375	0.256	20	30		DCEDRM
C#CCN(Cc1ccc(F)cc1)C(=O)CNC(=O)CNC(=O)[O-]	ZINC000833787751	605365411	/nfs/dbraw/zinc/36/54/11/605365411.db2.gz	ZRZZOHQVMIBQNG-UHFFFAOYSA-N	-1	0	321.308	0.171	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NCCCNC(=O)[O-])c(Cl)c1	ZINC000831136553	605493460	/nfs/dbraw/zinc/49/34/60/605493460.db2.gz	FLJXCTMNMBXQGR-UHFFFAOYSA-N	-1	0	324.724	0.924	20	30		DCEDRM
CN(CCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000828315776	605497117	/nfs/dbraw/zinc/49/71/17/605497117.db2.gz	DRJNWHCTARVJPI-UHFFFAOYSA-N	-1	0	324.724	0.876	20	30		DCEDRM
C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NC1CCN(CC#N)CC1	ZINC000825817990	605527209	/nfs/dbraw/zinc/52/72/09/605527209.db2.gz	VBJLBNSRNVWFJE-WCQYABFASA-N	-1	0	323.397	0.804	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1	ZINC000828272679	605549245	/nfs/dbraw/zinc/54/92/45/605549245.db2.gz	HUBWHIWIEZXOAN-NSHDSACASA-N	-1	0	316.383	0.293	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1	ZINC000825219725	605783641	/nfs/dbraw/zinc/78/36/41/605783641.db2.gz	OQIJONCXOSIYMA-VHSXEESVSA-N	-1	0	306.326	0.044	20	30		DCEDRM
COc1ccc(C#N)cc1COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000829260473	605812686	/nfs/dbraw/zinc/81/26/86/605812686.db2.gz	SXHZMMFDIQRLLP-NEPJUHHUSA-N	-1	0	320.301	0.723	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cc1	ZINC000833973726	605835848	/nfs/dbraw/zinc/83/58/48/605835848.db2.gz	QPWXAUBSAIDGIP-WCQYABFASA-N	-1	0	303.318	0.708	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@H]2CNC(=O)[O-])cc1	ZINC000833973115	605839769	/nfs/dbraw/zinc/83/97/69/605839769.db2.gz	KIHFAXRDSXQJHC-QWHCGFSZSA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCn2cncc2C1	ZINC000833965416	605843392	/nfs/dbraw/zinc/84/33/92/605843392.db2.gz	AMEHSIZXWJYUJU-CMPLNLGQSA-N	-1	0	303.322	0.160	20	30		DCEDRM
C#CCCCNC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC000833362147	605926295	/nfs/dbraw/zinc/92/62/95/605926295.db2.gz	BFVXYKGMJVNGNP-UHFFFAOYSA-N	-1	0	304.302	0.862	20	30		DCEDRM
N#Cc1nc(NC(=O)CC2CCSCC2)[n-]c1-c1nn[nH]n1	ZINC000822814522	606816278	/nfs/dbraw/zinc/81/62/78/606816278.db2.gz	HQQABVNRBFQSRV-UHFFFAOYSA-N	-1	0	318.366	0.933	20	30		DCEDRM
C=CCCCCCN(C)C(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC000819740086	607218342	/nfs/dbraw/zinc/21/83/42/607218342.db2.gz	NZMGBFVMSSZGAI-UHFFFAOYSA-N	-1	0	304.358	0.663	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000823932358	608275068	/nfs/dbraw/zinc/27/50/68/608275068.db2.gz	VNOURFUHOAUCMJ-UHFFFAOYSA-N	-1	0	307.335	0.041	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H]3CN(CC#N)C[C@H]3C2)c1[O-]	ZINC000979663330	660797258	/nfs/dbraw/zinc/79/72/58/660797258.db2.gz	ZPAHQUPNGGZXFT-QJPTWQEYSA-N	-1	0	303.366	0.778	20	30		DCEDRM
C=C1CC(C)(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)C1	ZINC000981917743	661245496	/nfs/dbraw/zinc/24/54/96/661245496.db2.gz	DLGHHFCYWHBXPP-UHFFFAOYSA-N	-1	0	305.382	0.901	20	30		DCEDRM
C[C@H](C#N)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000176079106	657802946	/nfs/dbraw/zinc/80/29/46/657802946.db2.gz	CSFLKNKGJRIROP-SECBINFHSA-N	-1	0	302.359	0.961	20	30		DCEDRM
O=C(C#CC1CC1)N1CCC[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1	ZINC001023981051	658369205	/nfs/dbraw/zinc/36/92/05/658369205.db2.gz	HUUYZJFHSRIRJP-LBPRGKRZSA-N	-1	0	303.366	0.252	20	30		DCEDRM
CN(CC#N)[C@H]1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C1	ZINC000972494834	658913465	/nfs/dbraw/zinc/91/34/65/658913465.db2.gz	HDFNALRFGNWIEE-NSHDSACASA-N	-1	0	301.350	0.729	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)CO1	ZINC000784539741	659569645	/nfs/dbraw/zinc/56/96/45/659569645.db2.gz	AALAFBTZASJROU-GHMZBOCLSA-N	-1	0	300.380	0.941	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(OC)c1	ZINC000726319905	661656162	/nfs/dbraw/zinc/65/61/62/661656162.db2.gz	PRGYARFCMYRKFG-JTQLQIEISA-N	-1	0	321.289	0.688	20	30		DCEDRM
CCCSCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000048518753	661924401	/nfs/dbraw/zinc/92/44/01/661924401.db2.gz	XUCIXZFHYAMINO-UHFFFAOYSA-N	-1	0	319.408	0.912	20	30		DCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCn1cccn1	ZINC000048534660	661930252	/nfs/dbraw/zinc/93/02/52/661930252.db2.gz	FOYVUFJASJJVCM-UHFFFAOYSA-N	-1	0	311.367	0.969	20	30		DCEDRM
C#CC[C@H](COC)[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000867569149	662046561	/nfs/dbraw/zinc/04/65/61/662046561.db2.gz	VOIFVBDRAMJVLO-SECBINFHSA-N	-1	0	301.320	0.383	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2cnccn2)CCC1	ZINC000796847787	662402837	/nfs/dbraw/zinc/40/28/37/662402837.db2.gz	AAKXURQTNFIKRA-UHFFFAOYSA-N	-1	0	308.363	0.549	20	30		DCEDRM
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000797091731	662414957	/nfs/dbraw/zinc/41/49/57/662414957.db2.gz	WJMFCHJDFGKGJD-YUMQZZPRSA-N	-1	0	314.319	0.408	20	30		DCEDRM
COCCCCS(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899927466	663201476	/nfs/dbraw/zinc/20/14/76/663201476.db2.gz	VYTNPMPMXDNRPK-GFCCVEGCSA-N	-1	0	303.380	0.543	20	30		DCEDRM
Cc1nc(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)cn1C	ZINC000899929866	663201660	/nfs/dbraw/zinc/20/16/60/663201660.db2.gz	KJILHFCNYVVSNC-NSHDSACASA-N	-1	0	311.363	0.217	20	30		DCEDRM
CCCCN(C)S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899929807	663201724	/nfs/dbraw/zinc/20/17/24/663201724.db2.gz	JTPJZAQOFAXQFB-GFCCVEGCSA-N	-1	0	302.396	0.763	20	30		DCEDRM
C#CCSCCNC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC000900292384	663232110	/nfs/dbraw/zinc/23/21/10/663232110.db2.gz	ZCRYYGXTILIDLP-ZDUSSCGKSA-N	-1	0	310.379	0.392	20	30		DCEDRM
C=CCNC(=O)c1ccc(N(CCOC)CCC(=O)[O-])nc1	ZINC000900980073	663298848	/nfs/dbraw/zinc/29/88/48/663298848.db2.gz	ZCYSKNIYDUKBQS-UHFFFAOYSA-N	-1	0	307.350	0.925	20	30		DCEDRM
C#CCNCC(=O)[N-]S(=O)(=O)[C@H]1CCCc2ccccc21	ZINC000901033046	663305964	/nfs/dbraw/zinc/30/59/64/663305964.db2.gz	PQYOVBXJZVWHLP-AWEZNQCLSA-N	-1	0	306.387	0.733	20	30		DCEDRM
C=CCC1(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCOCC1	ZINC000902774835	663433312	/nfs/dbraw/zinc/43/33/12/663433312.db2.gz	MTTOATCIFXWMNG-UHFFFAOYSA-N	-1	0	310.350	0.115	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)[C@@H]1CCCO1	ZINC000906934221	663652755	/nfs/dbraw/zinc/65/27/55/663652755.db2.gz	HIKSZWJTQHWSLI-ZJUUUORDSA-N	-1	0	315.372	0.905	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000907052041	663663911	/nfs/dbraw/zinc/66/39/11/663663911.db2.gz	JUQCGXIVRVLWAP-UHFFFAOYSA-N	-1	0	314.363	0.384	20	30		DCEDRM
C#CCCCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC000908646985	663764947	/nfs/dbraw/zinc/76/49/47/663764947.db2.gz	VKRYPTHUINMRIW-UHFFFAOYSA-N	-1	0	311.382	0.218	20	30		DCEDRM
C=CCCOCCNC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000909118186	663781540	/nfs/dbraw/zinc/78/15/40/663781540.db2.gz	ZWOGMLOIHNPNCE-BXUZGUMPSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C=C[C@@H](O)C(=O)NC[C@H](Cc1ccc(OCC)cc1)C(=O)[O-]	ZINC000909171294	663785555	/nfs/dbraw/zinc/78/55/55/663785555.db2.gz	NTPCMXLXSSBJDK-GXTWGEPZSA-N	-1	0	307.346	0.992	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCc1cn2c(n1)SCC2	ZINC000909198985	663786715	/nfs/dbraw/zinc/78/67/15/663786715.db2.gz	HUHQYIDLOXMMCX-UHFFFAOYSA-N	-1	0	310.379	0.814	20	30		DCEDRM
C=CCO[N-]C(=O)[C@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C	ZINC000909285238	663791716	/nfs/dbraw/zinc/79/17/16/663791716.db2.gz	KXOWYGWBMPZPQC-HZMBPMFUSA-N	-1	0	300.355	0.981	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1C[C@]1(C)Br)C(=O)[O-]	ZINC000909771444	663800502	/nfs/dbraw/zinc/80/05/02/663800502.db2.gz	PNVSIKJTKAQUQW-FYBVGQRMSA-N	-1	0	306.156	0.932	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1c(CC)nn(C)c1CC)C(=O)[O-]	ZINC000909771826	663800573	/nfs/dbraw/zinc/80/05/73/663800573.db2.gz	QYKITHQVRAXMBD-CYBMUJFWSA-N	-1	0	323.393	0.859	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)[O-]	ZINC000910052435	663837343	/nfs/dbraw/zinc/83/73/43/663837343.db2.gz	XUODYIXUYHYVSM-CMPLNLGQSA-N	-1	0	318.304	0.771	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cccnc1N1CCOCC1)C(=O)[O-]	ZINC000910052369	663837529	/nfs/dbraw/zinc/83/75/29/663837529.db2.gz	VRWXAELIQPDOJS-LBPRGKRZSA-N	-1	0	303.318	0.125	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCN1C(=O)CCc2ccccc21)C(=O)[O-]	ZINC000910054711	663837889	/nfs/dbraw/zinc/83/78/89/663837889.db2.gz	RZHSLKLLVCAGCO-CYBMUJFWSA-N	-1	0	314.341	0.949	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cnn(C2CCOCC2)c1C)C(=O)[O-]	ZINC000910046990	663840445	/nfs/dbraw/zinc/84/04/45/663840445.db2.gz	WJBVFFXMZGHPLZ-ZDUSSCGKSA-N	-1	0	305.334	0.749	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC000910269296	663862815	/nfs/dbraw/zinc/86/28/15/663862815.db2.gz	AAPFEMHMORFFQL-VHSXEESVSA-N	-1	0	301.730	0.820	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-]	ZINC000910483419	663891318	/nfs/dbraw/zinc/89/13/18/663891318.db2.gz	LSZCDOGVMKEDCX-LSDHHAIUSA-N	-1	0	316.357	0.732	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CN(Cc3ccc(C#N)cc3)C2)c1[O-]	ZINC001030224723	664480042	/nfs/dbraw/zinc/48/00/42/664480042.db2.gz	MOOKSGSBOBNWKX-UHFFFAOYSA-N	-1	0	311.345	0.910	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCN(C(=O)c2c(C)nc[nH]c2=O)CC1	ZINC001011912295	664513093	/nfs/dbraw/zinc/51/30/93/664513093.db2.gz	KZKYZCKPMLDBBC-UHFFFAOYSA-N	-1	0	318.377	0.987	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(-n2cccn2)c1	ZINC000172150312	664616623	/nfs/dbraw/zinc/61/66/23/664616623.db2.gz	MBYSMSNMTRTEHK-CQSZACIVSA-N	-1	0	312.329	0.957	20	30		DCEDRM
C#CCOc1ccc(C([O-])=C(C#N)C(=O)NCCOC)cc1	ZINC000173957702	664633999	/nfs/dbraw/zinc/63/39/99/664633999.db2.gz	FVODEGAYWCINAX-CQSZACIVSA-N	-1	0	300.314	0.784	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(Cc2cccc(F)c2)nn1	ZINC000151686578	664711420	/nfs/dbraw/zinc/71/14/20/664711420.db2.gz	AZUYCWFMWVEGKU-LLVKDONJSA-N	-1	0	301.281	0.534	20	30		DCEDRM
N#Cc1ccccc1N1CCCN(C(=O)c2cc(=O)[nH][n-]2)CC1	ZINC000732270960	664910658	/nfs/dbraw/zinc/91/06/58/664910658.db2.gz	ZJNBQYNZLSAKCE-UHFFFAOYSA-N	-1	0	311.345	0.473	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)c[nH]1	ZINC001007154140	664979793	/nfs/dbraw/zinc/97/97/93/664979793.db2.gz	DIQLEYYHGGYHRK-SNVBAGLBSA-N	-1	0	315.337	0.104	20	30		DCEDRM
Cc1cccc2sc(=NN=C3C(=O)[N-]C(=O)NC3=O)[nH]c21	ZINC000916625043	665074504	/nfs/dbraw/zinc/07/45/04/665074504.db2.gz	AHWCTNFHLYVDHG-UHFFFAOYSA-N	-1	0	303.303	0.739	20	30		DCEDRM
CN1C(=O)c2ccc(C([O-])=C(C#N)C(=O)NC3CC3)cc2C1=O	ZINC000916927274	665101261	/nfs/dbraw/zinc/10/12/61/665101261.db2.gz	PQWPULYKXBZHLQ-LBPRGKRZSA-N	-1	0	311.297	0.513	20	30		DCEDRM
C=CCn1cccc1C(=O)N1CC(NC(=O)c2cn[nH]n2)C1	ZINC000995179029	666066913	/nfs/dbraw/zinc/06/69/13/666066913.db2.gz	OAMNRAKQRJNOEF-UHFFFAOYSA-N	-1	0	300.322	0.047	20	30		DCEDRM
CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CCC1	ZINC000733675782	666796309	/nfs/dbraw/zinc/79/63/09/666796309.db2.gz	LWTUDLXLVUHCQO-UHFFFAOYSA-N	-1	0	321.358	0.279	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000861144134	666902031	/nfs/dbraw/zinc/90/20/31/666902031.db2.gz	OFVQTEAGYZAVDM-QWRGUYRKSA-N	-1	0	305.396	0.981	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)cn1	ZINC000861159468	666906290	/nfs/dbraw/zinc/90/62/90/666906290.db2.gz	VQNOBTNVHLDSMI-UHFFFAOYSA-N	-1	0	315.301	0.739	20	30		DCEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000735056927	666944998	/nfs/dbraw/zinc/94/49/98/666944998.db2.gz	ADTBWGVKJMKONJ-BMIGLBTASA-N	-1	0	314.349	0.660	20	30		DCEDRM
COCC(COC)NN=C1C(=O)Nc2cc([O-])c(Cl)cc21	ZINC000863193405	667116987	/nfs/dbraw/zinc/11/69/87/667116987.db2.gz	PHBWOEWSCSKXON-UHFFFAOYSA-N	-1	0	313.741	0.953	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000863407123	667139994	/nfs/dbraw/zinc/13/99/94/667139994.db2.gz	FFONYTQBMHXPIC-JTQLQIEISA-N	-1	0	314.294	0.408	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000863409213	667140685	/nfs/dbraw/zinc/14/06/85/667140685.db2.gz	XRWPBOOJUIPOMT-LLVKDONJSA-N	-1	0	314.294	0.408	20	30		DCEDRM
C[C@H](CC(=O)N(CC#N)CC(=O)[O-])NC(=O)C1CCCCC1	ZINC000736544755	667191002	/nfs/dbraw/zinc/19/10/02/667191002.db2.gz	LIDKUALJJILZEB-LLVKDONJSA-N	-1	0	309.366	0.898	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)NCC[C@H](COC)OC)C(=O)[O-]	ZINC000864529618	667258822	/nfs/dbraw/zinc/25/88/22/667258822.db2.gz	YWKSZSLTGLFGPZ-NXEZZACHSA-N	-1	0	308.762	0.933	20	30		DCEDRM
C#CC[C@H](COC)N=c1nn[n-]n1Cc1ccc(OC)cc1	ZINC000865976928	667358296	/nfs/dbraw/zinc/35/82/96/667358296.db2.gz	CVIPBGZJOCHFFY-CYBMUJFWSA-N	-1	0	301.350	0.602	20	30		DCEDRM
C=CCN1CCO[C@@H](CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001035573426	667374040	/nfs/dbraw/zinc/37/40/40/667374040.db2.gz	AWSDEDPXLLQWEA-JTQLQIEISA-N	-1	0	318.333	0.545	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@H](O)C1CCC1)cc2=O	ZINC000838309206	667685430	/nfs/dbraw/zinc/68/54/30/667685430.db2.gz	KMBULFSOBMSRLG-GFCCVEGCSA-N	-1	0	302.290	0.511	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cncc(N2CCCC2)n1	ZINC000870144663	667714265	/nfs/dbraw/zinc/71/42/65/667714265.db2.gz	FRIFDJOAANTLCT-NSHDSACASA-N	-1	0	301.350	0.924	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](CCC)C(=O)OCC	ZINC000838896762	667719669	/nfs/dbraw/zinc/71/96/69/667719669.db2.gz	ZQYPNZSUCMFWJJ-MNOVXSKESA-N	-1	0	319.379	0.203	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cn2c(C)csc2n1	ZINC000870331458	667731749	/nfs/dbraw/zinc/73/17/49/667731749.db2.gz	MYJOPMZSQKXISD-UHFFFAOYSA-N	-1	0	311.388	0.716	20	30		DCEDRM
COc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cc1C#N	ZINC000741756225	667775979	/nfs/dbraw/zinc/77/59/79/667775979.db2.gz	BLKFQZZKJMKYAQ-UHFFFAOYSA-N	-1	0	301.331	0.998	20	30		DCEDRM
COc1nc2sccn2c1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC000744728664	667831905	/nfs/dbraw/zinc/83/19/05/667831905.db2.gz	CCQJGCSJZWMCEV-UHFFFAOYSA-N	-1	0	322.375	0.835	20	30		DCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1	ZINC000871951558	667859644	/nfs/dbraw/zinc/85/96/44/667859644.db2.gz	QRQXKKOWHMLUEB-SNVBAGLBSA-N	-1	0	311.359	0.965	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000871973279	667861033	/nfs/dbraw/zinc/86/10/33/667861033.db2.gz	RCTFLHJEDNUDQW-NSHDSACASA-N	-1	0	309.343	0.716	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)C[C@H](OC)C1CC1)C(=O)[O-]	ZINC000871995754	667865055	/nfs/dbraw/zinc/86/50/55/667865055.db2.gz	GQBQUKQWXWQGFZ-ZJUUUORDSA-N	-1	0	311.787	0.927	20	30		DCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)o1	ZINC000747205358	667897279	/nfs/dbraw/zinc/89/72/79/667897279.db2.gz	UAZKHKIBOQFXGT-JTQLQIEISA-N	-1	0	321.333	0.632	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnn(CC)c1	ZINC000749226671	667948881	/nfs/dbraw/zinc/94/88/81/667948881.db2.gz	MHVHUDZLKREUDY-JTQLQIEISA-N	-1	0	301.368	0.689	20	30		DCEDRM
CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000750418906	667978594	/nfs/dbraw/zinc/97/85/94/667978594.db2.gz	VVSHLVFQXLPORY-SECBINFHSA-N	-1	0	309.347	0.029	20	30		DCEDRM
COC(=O)CN(CC#N)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000789960474	667979012	/nfs/dbraw/zinc/97/90/12/667979012.db2.gz	SWTJAJHEDMHQQN-VIFPVBQESA-N	-1	0	323.271	0.215	20	30		DCEDRM
O=C([O-])COc1ccccc1C=NN[C@H]1CCS(=O)(=O)C1	ZINC000751324310	667999479	/nfs/dbraw/zinc/99/94/79/667999479.db2.gz	DWEYZVCHMRCFPH-NSHDSACASA-N	-1	0	312.347	0.261	20	30		DCEDRM
C=CC[C@H](NC(=O)c1cnc([O-])n(C)c1=O)c1ccncc1	ZINC000751583893	668004984	/nfs/dbraw/zinc/00/49/84/668004984.db2.gz	WMOGQGQMENULSG-LBPRGKRZSA-N	-1	0	300.318	0.928	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000753945307	668038465	/nfs/dbraw/zinc/03/84/65/668038465.db2.gz	NAVLXKMSXAAJAU-UHFFFAOYSA-N	-1	0	309.303	0.958	20	30		DCEDRM
C=CCNC(=O)COC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000010265545	668160363	/nfs/dbraw/zinc/16/03/63/668160363.db2.gz	VMDQLUPZQXRTAT-UHFFFAOYSA-N	-1	0	312.347	0.517	20	30		DCEDRM
COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000758504675	668180402	/nfs/dbraw/zinc/18/04/02/668180402.db2.gz	OJWIWHFRIHKSGP-SECBINFHSA-N	-1	0	310.331	0.562	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000759510412	668222380	/nfs/dbraw/zinc/22/23/80/668222380.db2.gz	LDLAGSDLOWMFEG-UHFFFAOYSA-N	-1	0	304.353	0.268	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(Br)nn1C	ZINC000759614012	668228625	/nfs/dbraw/zinc/22/86/25/668228625.db2.gz	NDIFZCAJJOBEJK-UHFFFAOYSA-N	-1	0	308.157	0.428	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc(OCCOC)cc1	ZINC000759616208	668228736	/nfs/dbraw/zinc/22/87/36/668228736.db2.gz	UGTWEMKTULAKNS-UHFFFAOYSA-N	-1	0	313.375	0.886	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000762125470	668347327	/nfs/dbraw/zinc/34/73/27/668347327.db2.gz	AMXSDLPUYOISQX-LLVKDONJSA-N	-1	0	324.358	0.420	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCN1C(=O)COc2ccccc21	ZINC000763033575	668392956	/nfs/dbraw/zinc/39/29/56/668392956.db2.gz	KRWZLLJWQPNTSV-UHFFFAOYSA-N	-1	0	324.358	0.434	20	30		DCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000926537320	668411069	/nfs/dbraw/zinc/41/10/69/668411069.db2.gz	KONIXFXSTBETKT-QMMMGPOBSA-N	-1	0	301.295	0.589	20	30		DCEDRM
C=C1CCC(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1	ZINC000927962586	668540067	/nfs/dbraw/zinc/54/00/67/668540067.db2.gz	FQUHGAQRKQVXTD-LBPRGKRZSA-N	-1	0	310.350	0.161	20	30		DCEDRM
CN1C(=O)CN(N=Cc2[nH]nc3cc(C(=O)[O-])ccc23)C1=O	ZINC000768381815	668606745	/nfs/dbraw/zinc/60/67/45/668606745.db2.gz	IHTCELFGBYJAJZ-UHFFFAOYSA-N	-1	0	301.262	0.489	20	30		DCEDRM
COc1nc(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc(=O)[n-]1	ZINC000770520412	668698184	/nfs/dbraw/zinc/69/81/84/668698184.db2.gz	XMJSXTRIDHSXBY-AWEZNQCLSA-N	-1	0	320.305	0.156	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCCn1ccccc1=O	ZINC000770869522	668720810	/nfs/dbraw/zinc/72/08/10/668720810.db2.gz	XZPUTEXEKKFFCI-LBPRGKRZSA-N	-1	0	312.329	0.954	20	30		DCEDRM
COCc1cncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c1	ZINC000771072520	668730227	/nfs/dbraw/zinc/73/02/27/668730227.db2.gz	XDOPZHQSRZVSLQ-UHFFFAOYSA-N	-1	0	323.374	0.981	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)OC)cc1	ZINC000772709458	668781886	/nfs/dbraw/zinc/78/18/86/668781886.db2.gz	DVVSZSQPZSEXLP-UHFFFAOYSA-N	-1	0	313.331	0.484	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H](NC(N)=O)c1ccccc1	ZINC000772721872	668782693	/nfs/dbraw/zinc/78/26/93/668782693.db2.gz	ZRKOFSCJUJCJFM-NSHDSACASA-N	-1	0	311.363	0.418	20	30		DCEDRM
CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1CCCC1	ZINC000776115152	668871021	/nfs/dbraw/zinc/87/10/21/668871021.db2.gz	IDCVILNPLDZQAJ-LBPRGKRZSA-N	-1	0	315.395	0.431	20	30		DCEDRM
Cn1ncc(C(=O)[N-]S(=O)(=O)CCCC#N)c1C(F)F	ZINC000776119484	668871182	/nfs/dbraw/zinc/87/11/82/668871182.db2.gz	PIEAKZMSQIVROC-UHFFFAOYSA-N	-1	0	306.294	0.721	20	30		DCEDRM
Cc1sc(=O)n(CC(=O)[N-]S(=O)(=O)CCCC#N)c1C	ZINC000776119071	668871221	/nfs/dbraw/zinc/87/12/21/668871221.db2.gz	BCHCFFZJBOOAGE-UHFFFAOYSA-N	-1	0	317.392	0.276	20	30		DCEDRM
C#C[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1CCCO1	ZINC000776268134	668874345	/nfs/dbraw/zinc/87/43/45/668874345.db2.gz	AQBITEFDMCDMTR-STQMWFEESA-N	-1	0	313.313	0.941	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC000776503173	668876910	/nfs/dbraw/zinc/87/69/10/668876910.db2.gz	NLFBVSKFURUZCV-YPMHNXCESA-N	-1	0	324.358	0.467	20	30		DCEDRM
COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(F)c1C#N	ZINC000778670743	668902495	/nfs/dbraw/zinc/90/24/95/668902495.db2.gz	KFKUNFWJGVZDNX-UHFFFAOYSA-N	-1	0	315.326	0.250	20	30		DCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)ccc1=O	ZINC000779317557	668909457	/nfs/dbraw/zinc/90/94/57/668909457.db2.gz	JYTMMYKHIRZVFX-UHFFFAOYSA-N	-1	0	323.374	0.529	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1)OCC	ZINC000780608579	668999751	/nfs/dbraw/zinc/99/97/51/668999751.db2.gz	KMTJXVJZFUSZSV-NEPJUHHUSA-N	-1	0	305.396	0.983	20	30		DCEDRM
COC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000781603353	669051824	/nfs/dbraw/zinc/05/18/24/669051824.db2.gz	WXKNGZMYLHRMRW-UHFFFAOYSA-N	-1	0	300.311	0.927	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)nc1	ZINC000781864939	669066633	/nfs/dbraw/zinc/06/66/33/669066633.db2.gz	QIQICVZKCBAJHE-UHFFFAOYSA-N	-1	0	312.347	0.325	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)CCn1ccnn1)cc2=O	ZINC000782659947	669115851	/nfs/dbraw/zinc/11/58/51/669115851.db2.gz	LLOAOAVDLOBKRO-UHFFFAOYSA-N	-1	0	313.277	0.032	20	30		DCEDRM
CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000783430248	669158005	/nfs/dbraw/zinc/15/80/05/669158005.db2.gz	SFDVMGVRPXJVAT-NSHDSACASA-N	-1	0	303.384	0.287	20	30		DCEDRM
CC(=NNC(=S)NCC(N)=O)c1cc(C(=O)[O-])ccc1C	ZINC000788428886	669439525	/nfs/dbraw/zinc/43/95/25/669439525.db2.gz	DDYHHWSKXGMBQA-UHFFFAOYSA-N	-1	0	308.363	0.367	20	30		DCEDRM
O=C([O-])Cn1cc(C=NNc2ccc3c(=O)[nH]ccc3c2)nn1	ZINC000789086871	669469894	/nfs/dbraw/zinc/46/98/94/669469894.db2.gz	ZQYNMOLPNJJIRE-UHFFFAOYSA-N	-1	0	312.289	0.650	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)[C@H](CCC)C(=O)OCC)C(=O)OC	ZINC000882252552	669487191	/nfs/dbraw/zinc/48/71/91/669487191.db2.gz	RHCWZAJSARIGDQ-GHMZBOCLSA-N	-1	0	319.379	0.203	20	30		DCEDRM
C=CCN(CC(=O)OCC)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000935092811	669679164	/nfs/dbraw/zinc/67/91/64/669679164.db2.gz	NCPDYWPDQKPVNM-UHFFFAOYSA-N	-1	0	323.393	0.953	20	30		DCEDRM
CC[C@H](NN=C1c2ccc(N(C)C)cc2N(C)C1=O)C(=O)[O-]	ZINC000793055219	669699884	/nfs/dbraw/zinc/69/98/84/669699884.db2.gz	JVGNUNHEUVMPCR-NSHDSACASA-N	-1	0	304.350	0.886	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc3cc[nH]c3n2)CC1	ZINC000793194608	669706773	/nfs/dbraw/zinc/70/67/73/669706773.db2.gz	REUHYLICQNOIRM-UHFFFAOYSA-N	-1	0	304.331	0.926	20	30		DCEDRM
Cc1cc(=O)[n-]c(N=NC(CS(=O)(=O)N(C)C)C(C)C)n1	ZINC000794856570	669865961	/nfs/dbraw/zinc/86/59/61/669865961.db2.gz	JIJIWSYLEBNVBT-UHFFFAOYSA-N	-1	0	315.399	0.806	20	30		DCEDRM
CON=Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc1	ZINC000796883497	669946165	/nfs/dbraw/zinc/94/61/65/669946165.db2.gz	PBZGOPZCALBDDQ-UHFFFAOYSA-N	-1	0	308.319	0.509	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)c1ccc2c(c1)OCO2	ZINC000797185584	669958695	/nfs/dbraw/zinc/95/86/95/669958695.db2.gz	HRDPTAHJDUHVDH-JTQLQIEISA-N	-1	0	309.343	0.988	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)cc1	ZINC000798202371	669992102	/nfs/dbraw/zinc/99/21/02/669992102.db2.gz	APBGCUBVCNFIDT-UHFFFAOYSA-N	-1	0	322.386	0.606	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CNC(=O)c1cc2ccccc2[nH]1	ZINC000191260910	669997594	/nfs/dbraw/zinc/99/75/94/669997594.db2.gz	MBCLFAHMCVJLLO-UHFFFAOYSA-N	-1	0	315.329	0.997	20	30		DCEDRM
C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)O1	ZINC000800406526	670089613	/nfs/dbraw/zinc/08/96/13/670089613.db2.gz	MLTBRNQYROYKIH-AXFHLTTASA-N	-1	0	300.380	0.940	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(=O)N2)cc1	ZINC000808976638	670432960	/nfs/dbraw/zinc/43/29/60/670432960.db2.gz	VPRSVAGFBZQCCV-NSHDSACASA-N	-1	0	321.358	0.422	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnn(CCF)c2)CCC1	ZINC000809000368	670434987	/nfs/dbraw/zinc/43/49/87/670434987.db2.gz	OTKJEICSNOEZPO-UHFFFAOYSA-N	-1	0	314.342	0.606	20	30		DCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)cn1	ZINC000195495889	670495533	/nfs/dbraw/zinc/49/55/33/670495533.db2.gz	UELYDHUKWGXEQK-UHFFFAOYSA-N	-1	0	304.331	0.552	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@]1(C)Cc2ccccc2C(=O)O1	ZINC000810770769	670496522	/nfs/dbraw/zinc/49/65/22/670496522.db2.gz	AVJOXLLEIKIBEW-HNNXBMFYSA-N	-1	0	321.354	0.628	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1C(=O)Nc2ccccc21	ZINC000810775249	670496904	/nfs/dbraw/zinc/49/69/04/670496904.db2.gz	YCTUXZJJOVBBGF-NSHDSACASA-N	-1	0	306.343	0.582	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCCO2	ZINC000810776777	670497140	/nfs/dbraw/zinc/49/71/40/670497140.db2.gz	HWGPSKXIJNDFRR-UHFFFAOYSA-N	-1	0	309.343	0.470	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC(=O)N2C	ZINC000810776670	670497231	/nfs/dbraw/zinc/49/72/31/670497231.db2.gz	CSZJTVKMNZVTQE-UHFFFAOYSA-N	-1	0	320.370	0.679	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1nnn(-c2ccccc2)c1C	ZINC000810779890	670497582	/nfs/dbraw/zinc/49/75/82/670497582.db2.gz	FZKLCZMISNWQEB-UHFFFAOYSA-N	-1	0	318.358	0.659	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCCO2	ZINC000810785396	670497947	/nfs/dbraw/zinc/49/79/47/670497947.db2.gz	GJZXLMADQJIHQX-UHFFFAOYSA-N	-1	0	309.343	0.470	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C1CCCCC1	ZINC000810784840	670498037	/nfs/dbraw/zinc/49/80/37/670498037.db2.gz	POPIUJPKRGMPSJ-LLVKDONJSA-N	-1	0	314.407	0.541	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(Br)cn1C	ZINC000810783454	670498049	/nfs/dbraw/zinc/49/80/49/670498049.db2.gz	QCPFNGCKQRMQPH-UHFFFAOYSA-N	-1	0	319.180	0.871	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COc1ccc(OCC)cc1	ZINC000810783536	670498069	/nfs/dbraw/zinc/49/80/69/670498069.db2.gz	UNCNJUXNLSLJGM-UHFFFAOYSA-N	-1	0	311.359	0.933	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000810832918	670499266	/nfs/dbraw/zinc/49/92/66/670499266.db2.gz	WBNZHXVKXUNLRU-MRVPVSSYSA-N	-1	0	303.340	0.351	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C(=O)CC)C2)CC1	ZINC000810983843	670501889	/nfs/dbraw/zinc/50/18/89/670501889.db2.gz	IPYRSUPIJMWKAX-NSHDSACASA-N	-1	0	314.407	0.800	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCN2C(=O)CCC2=O)CC1	ZINC000810988307	670502331	/nfs/dbraw/zinc/50/23/31/670502331.db2.gz	NGIKAPHTSXCHOU-UHFFFAOYSA-N	-1	0	314.363	0.080	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CN(C)[C@H]2CCSC2)CC1	ZINC000810987575	670502510	/nfs/dbraw/zinc/50/25/10/670502510.db2.gz	QLEFGJYOYGOJKD-NSHDSACASA-N	-1	0	318.464	0.978	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	ZINC000812450074	670582736	/nfs/dbraw/zinc/58/27/36/670582736.db2.gz	XCKGHMLBPOOXJR-JTQLQIEISA-N	-1	0	319.379	0.669	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc2c(n1)OCCO2	ZINC000847621068	670583125	/nfs/dbraw/zinc/58/31/25/670583125.db2.gz	HNTKYJANYLWAJQ-SNVBAGLBSA-N	-1	0	319.317	0.328	20	30		DCEDRM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847685245	670590851	/nfs/dbraw/zinc/59/08/51/670590851.db2.gz	FJHRTGYGESOVAS-ZJUUUORDSA-N	-1	0	304.368	0.714	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O	ZINC000812784782	670595877	/nfs/dbraw/zinc/59/58/77/670595877.db2.gz	IAZRDIDWPZJTRP-OAHLLOKOSA-N	-1	0	307.350	0.558	20	30		DCEDRM
C#CCO[N-]C(=O)c1nn(-c2ccccc2F)c(C)cc1=O	ZINC000812782680	670596032	/nfs/dbraw/zinc/59/60/32/670596032.db2.gz	DASCTFGPCJNVTF-UHFFFAOYSA-N	-1	0	301.277	0.975	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)[N-]OCCOC(C)C	ZINC000813054186	670608385	/nfs/dbraw/zinc/60/83/85/670608385.db2.gz	HARPTTWYPBZUPD-UHFFFAOYSA-N	-1	0	321.333	0.978	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)c1ncn(C(C)(C)C)n1	ZINC000813076871	670609699	/nfs/dbraw/zinc/60/96/99/670609699.db2.gz	QECXRLRVEDWIRZ-SECBINFHSA-N	-1	0	300.322	0.972	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2CCCN(O)C2=O)cc1C#N	ZINC000848137685	670642662	/nfs/dbraw/zinc/64/26/62/670642662.db2.gz	HCWBSGBKOZWAPB-VIFPVBQESA-N	-1	0	322.346	0.491	20	30		DCEDRM
CC(C)n1nccc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813982057	670667515	/nfs/dbraw/zinc/66/75/15/670667515.db2.gz	AZSDWAFJCPWDLI-UHFFFAOYSA-N	-1	0	319.346	0.849	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)COC2CCCC2)c1	ZINC000813980182	670667553	/nfs/dbraw/zinc/66/75/53/670667553.db2.gz	UTCNTRSXUBCNOL-UHFFFAOYSA-N	-1	0	309.347	0.717	20	30		DCEDRM
COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981759	670667575	/nfs/dbraw/zinc/66/75/75/670667575.db2.gz	WJHGBNAQUIETDO-SNVBAGLBSA-N	-1	0	311.363	0.821	20	30		DCEDRM
COc1cc(C=Nn2c(=O)[n-][nH]c2=O)ccc1OC(=O)C1CC1	ZINC000814233897	670682903	/nfs/dbraw/zinc/68/29/03/670682903.db2.gz	MDQUVNKURRBHMY-UHFFFAOYSA-N	-1	0	318.289	0.896	20	30		DCEDRM
C[C@H]1C(=NNC(=S)NCC(N)=O)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814844369	670704551	/nfs/dbraw/zinc/70/45/51/670704551.db2.gz	HGUKYWHYFZHDPY-JGVFFNPUSA-N	-1	0	314.411	0.449	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](Cc1cccc(OC)c1)n1nnnc1C	ZINC000855603541	670735079	/nfs/dbraw/zinc/73/50/79/670735079.db2.gz	RGJUTCAXIQOPIJ-CQSZACIVSA-N	-1	0	315.333	0.455	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC	ZINC000855606431	670735089	/nfs/dbraw/zinc/73/50/89/670735089.db2.gz	IDGZRCZPBWYLAM-SECBINFHSA-N	-1	0	300.311	0.124	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1c[nH]c(C(=O)OC)c1	ZINC000815904363	670771689	/nfs/dbraw/zinc/77/16/89/670771689.db2.gz	DAZZLOWXHJKIFX-JTQLQIEISA-N	-1	0	307.306	0.276	20	30		DCEDRM
C#CC[C@@H]1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC000849331682	670778015	/nfs/dbraw/zinc/77/80/15/670778015.db2.gz	ACXXOKWDWTZQPP-GFCCVEGCSA-N	-1	0	314.407	0.763	20	30		DCEDRM
C#CCCCS(=O)(=O)[N-][C@@]1(C(=O)OC(C)(C)C)CCOC1	ZINC000849446915	670801340	/nfs/dbraw/zinc/80/13/40/670801340.db2.gz	DQWIGQRYKMFKKY-AWEZNQCLSA-N	-1	0	317.407	0.820	20	30		DCEDRM
CCn1ncc(Cl)c1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000857016335	670874207	/nfs/dbraw/zinc/87/42/07/670874207.db2.gz	JZIUJFRTFGBVHA-UHFFFAOYSA-N	-1	0	304.759	0.920	20	30		DCEDRM
COc1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)ccc1C#N	ZINC000857142145	670888918	/nfs/dbraw/zinc/88/89/18/670888918.db2.gz	HJUGFLHNXJFOHJ-UHFFFAOYSA-N	-1	0	301.306	0.753	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])c1ccccc1	ZINC000817110265	670894554	/nfs/dbraw/zinc/89/45/54/670894554.db2.gz	ARURRDAIUXEEJO-CYBMUJFWSA-N	-1	0	302.330	0.800	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnn1C1CCOCC1	ZINC000851000110	670960183	/nfs/dbraw/zinc/96/01/83/670960183.db2.gz	OWCBWDXXUJECEG-UHFFFAOYSA-N	-1	0	311.363	0.318	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1	ZINC000851000709	670960873	/nfs/dbraw/zinc/96/08/73/670960873.db2.gz	YOKNWTRBUOFNPX-NSHDSACASA-N	-1	0	315.391	0.824	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1COC[C@H]1c1ccccc1	ZINC000851015267	670961181	/nfs/dbraw/zinc/96/11/81/670961181.db2.gz	BWMUTQOUMLJNIC-QWHCGFSZSA-N	-1	0	308.359	0.776	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2nnn(C(C)(C)C)n2)CC1	ZINC000851031310	670962266	/nfs/dbraw/zinc/96/22/66/670962266.db2.gz	BDIPXEWCGIEUKK-UHFFFAOYSA-N	-1	0	313.383	0.596	20	30		DCEDRM
CO[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000851039828	670963579	/nfs/dbraw/zinc/96/35/79/670963579.db2.gz	CGBVHMDRYTYMST-QWRGUYRKSA-N	-1	0	309.347	0.573	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1(CC)CC1	ZINC000851052858	670964857	/nfs/dbraw/zinc/96/48/57/670964857.db2.gz	JXLVFQXCUTUWCW-LLVKDONJSA-N	-1	0	302.396	0.846	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC2(C#N)CCCCC2)C1	ZINC000851683431	671012586	/nfs/dbraw/zinc/01/25/86/671012586.db2.gz	GAMQVIRXZGVVKL-HNNXBMFYSA-N	-1	0	321.377	0.900	20	30		DCEDRM
CCC(CC)(CNC(=O)C(=O)Nc1cnn(CC#N)c1)C(=O)[O-]	ZINC000818638101	671039730	/nfs/dbraw/zinc/03/97/30/671039730.db2.gz	PRBRWOMUCKCSKA-UHFFFAOYSA-N	-1	0	321.337	0.352	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCCC(N)=O)cc1	ZINC000819857176	671142909	/nfs/dbraw/zinc/14/29/09/671142909.db2.gz	UAMREWCCOATMOQ-OAHLLOKOSA-N	-1	0	319.317	0.884	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000820053902	671159314	/nfs/dbraw/zinc/15/93/14/671159314.db2.gz	HUMFSKWZGPGQSW-SNVBAGLBSA-N	-1	0	314.338	0.311	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000853205740	671218771	/nfs/dbraw/zinc/21/87/71/671218771.db2.gz	JLBUKXCZGXTQOK-DGCLKSJQSA-N	-1	0	323.411	0.323	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cn1cc(C)c(C(F)(F)F)n1	ZINC000860721886	671233416	/nfs/dbraw/zinc/23/34/16/671233416.db2.gz	NIWAASWFKNXOFP-UHFFFAOYSA-N	-1	0	323.296	0.680	20	30		DCEDRM
CCO[C@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C(C)C	ZINC000860785196	671238484	/nfs/dbraw/zinc/23/84/84/671238484.db2.gz	OZIOJDGDULEHFR-LBPRGKRZSA-N	-1	0	311.363	0.819	20	30		DCEDRM
COc1cccc(/C=C\C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)c1	ZINC000821012090	671245277	/nfs/dbraw/zinc/24/52/77/671245277.db2.gz	COFBFQYGPKVXFP-FPLPWBNLSA-N	-1	0	316.313	0.694	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ncon2)cc1	ZINC000821582020	671284402	/nfs/dbraw/zinc/28/44/02/671284402.db2.gz	ANCSVKPDKNCROH-UHFFFAOYSA-N	-1	0	306.303	0.710	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)CCC#N)N(C)CC(F)(F)F	ZINC000821584104	671284698	/nfs/dbraw/zinc/28/46/98/671284698.db2.gz	RLZSUOUFXPYJEQ-SSDOTTSWSA-N	-1	0	301.290	0.229	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C(=O)OC	ZINC000822416184	671321531	/nfs/dbraw/zinc/32/15/31/671321531.db2.gz	WYDHTLNJISBIME-LBPRGKRZSA-N	-1	0	307.350	0.056	20	30		DCEDRM
C[C@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)C1	ZINC000824937649	671444556	/nfs/dbraw/zinc/44/45/56/671444556.db2.gz	QIXMCFLQIKQKDA-VIFPVBQESA-N	-1	0	300.326	0.193	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826381461	671486842	/nfs/dbraw/zinc/48/68/42/671486842.db2.gz	MQYCQVUDJMBTPB-UHFFFAOYSA-N	-1	0	320.334	0.230	20	30		DCEDRM
COc1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)ccc1C#N	ZINC000826833614	671502323	/nfs/dbraw/zinc/50/23/23/671502323.db2.gz	GBOXRQVCLLMLBS-GFCCVEGCSA-N	-1	0	314.305	0.294	20	30		DCEDRM
CN(CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[O-])C1	ZINC000828108467	671544518	/nfs/dbraw/zinc/54/45/18/671544518.db2.gz	RVXCUQLPRVXFFU-AWEZNQCLSA-N	-1	0	316.361	0.859	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)nc1	ZINC000831003801	671649650	/nfs/dbraw/zinc/64/96/50/671649650.db2.gz	ANBUFEDVXRXFHE-NEPJUHHUSA-N	-1	0	317.349	0.918	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])n1	ZINC000831162067	671656584	/nfs/dbraw/zinc/65/65/84/671656584.db2.gz	VZICTDVIXVYJIP-NXEZZACHSA-N	-1	0	306.326	0.092	20	30		DCEDRM
C#C[C@H](NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)[C@H]1CCCO1	ZINC000832411272	671718608	/nfs/dbraw/zinc/71/86/08/671718608.db2.gz	CLYRIDIPSXTNEM-QWHCGFSZSA-N	-1	0	313.313	0.941	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NCC(=O)[N-]OCCC2CC2)c1	ZINC000832845253	671745292	/nfs/dbraw/zinc/74/52/92/671745292.db2.gz	JVECKMCUHPETDI-UHFFFAOYSA-N	-1	0	323.374	0.684	20	30		DCEDRM
C=CCNC(=O)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000833376325	671747578	/nfs/dbraw/zinc/74/75/78/671747578.db2.gz	ATJIDNDJVBPYAE-UHFFFAOYSA-N	-1	0	307.262	0.325	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCc2ccccc21	ZINC000835125543	671788264	/nfs/dbraw/zinc/78/82/64/671788264.db2.gz	YCBGYGGJJIHSEQ-NSHDSACASA-N	-1	0	308.359	0.448	20	30		DCEDRM
CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)n2C)c1	ZINC000835248381	671791520	/nfs/dbraw/zinc/79/15/20/671791520.db2.gz	HIOQGVHNNYWECF-UHFFFAOYSA-N	-1	0	321.362	0.793	20	30		DCEDRM
COC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)CCCC#N)cc1	ZINC000835273491	671792459	/nfs/dbraw/zinc/79/24/59/671792459.db2.gz	MOOZRKZKDYDJTO-UHFFFAOYSA-N	-1	0	324.358	0.765	20	30		DCEDRM
COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1ccc(C#N)n1C	ZINC000835355879	671794477	/nfs/dbraw/zinc/79/44/77/671794477.db2.gz	FZRGEPNQLYFLRB-UHFFFAOYSA-N	-1	0	313.379	0.771	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CN1C(=O)CCc2ccccc21	ZINC000835412302	671795863	/nfs/dbraw/zinc/79/58/63/671795863.db2.gz	SJFRCPXITALMEQ-UHFFFAOYSA-N	-1	0	321.358	0.325	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCOC[C@H]2OC)CC1	ZINC000835449616	671796788	/nfs/dbraw/zinc/79/67/88/671796788.db2.gz	QAIYZQFABNOTMA-VXGBXAGGSA-N	-1	0	317.407	0.983	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1	ZINC000836138823	671818469	/nfs/dbraw/zinc/81/84/69/671818469.db2.gz	WAGYXSRXKDXFGL-UHFFFAOYSA-N	-1	0	313.379	0.388	20	30		DCEDRM
C=CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccccc1F	ZINC000837044557	671843596	/nfs/dbraw/zinc/84/35/96/671843596.db2.gz	OOETVLXQFUDKIC-VIFPVBQESA-N	-1	0	302.327	0.726	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1	ZINC000842311279	672005347	/nfs/dbraw/zinc/00/53/47/672005347.db2.gz	TTXSYPZVAHYMEV-HZSPNIEDSA-N	-1	0	320.370	0.897	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@H]1CCc2ncncc2C1	ZINC000842752527	672034336	/nfs/dbraw/zinc/03/43/36/672034336.db2.gz	OEFDGWTZOVAVCY-JTQLQIEISA-N	-1	0	322.390	0.577	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C1	ZINC000842768740	672035659	/nfs/dbraw/zinc/03/56/59/672035659.db2.gz	UCPKSFDZGDJXNN-MRVPVSSYSA-N	-1	0	310.306	0.871	20	30		DCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@](O)(CC#N)C1	ZINC000844015794	672137844	/nfs/dbraw/zinc/13/78/44/672137844.db2.gz	OBQHWZARKGORSO-JOYOIKCWSA-N	-1	0	321.299	0.567	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844818022	672204432	/nfs/dbraw/zinc/20/44/32/672204432.db2.gz	UNOMFARYJODSGK-NSHDSACASA-N	-1	0	313.379	0.123	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1	ZINC000844818521	672204501	/nfs/dbraw/zinc/20/45/01/672204501.db2.gz	SKBIJDKAPZKWIH-ZDUSSCGKSA-N	-1	0	315.391	0.685	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000845878378	672280136	/nfs/dbraw/zinc/28/01/36/672280136.db2.gz	DFEIRPFANATVDF-UHFFFAOYSA-N	-1	0	303.292	0.074	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1nn(C)cc1C(=O)OCC	ZINC000846147615	672297443	/nfs/dbraw/zinc/29/74/43/672297443.db2.gz	YYJCFQHQFSRFDE-UHFFFAOYSA-N	-1	0	310.310	0.159	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2	ZINC000846146784	672297545	/nfs/dbraw/zinc/29/75/45/672297545.db2.gz	PTGPLOQRYZMFJG-UHFFFAOYSA-N	-1	0	303.318	0.535	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(C(=O)NCC)cc1	ZINC000846151868	672297948	/nfs/dbraw/zinc/29/79/48/672297948.db2.gz	IVMYXHWHLUCUHR-SNVBAGLBSA-N	-1	0	305.334	0.997	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn(C)c1C(F)(F)F	ZINC000846155842	672297951	/nfs/dbraw/zinc/29/79/51/672297951.db2.gz	YWOTWWRLPBSYJR-LURJTMIESA-N	-1	0	306.244	1.000	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2	ZINC000846152259	672297955	/nfs/dbraw/zinc/29/79/55/672297955.db2.gz	RBTIYQKEFJPNKW-RKDXNWHRSA-N	-1	0	319.317	0.967	20	30		DCEDRM
C=C(C)CO[N-]C(=O)Cn1cc(Br)c(=O)[nH]c1=O	ZINC000846539660	672326282	/nfs/dbraw/zinc/32/62/82/672326282.db2.gz	CHCXAQJBFVUPFY-UHFFFAOYSA-N	-1	0	318.127	0.335	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)Cn1cc(Br)c(=O)[nH]c1=O	ZINC000846543317	672326366	/nfs/dbraw/zinc/32/63/66/672326366.db2.gz	NWNGVCROGOQRPY-ZCFIWIBFSA-N	-1	0	318.127	0.334	20	30		DCEDRM
C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771081993	685337028	/nfs/dbraw/zinc/33/70/28/685337028.db2.gz	VNDHERKZVVPYRK-SNVBAGLBSA-N	-1	0	300.380	0.941	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813985330	685351636	/nfs/dbraw/zinc/35/16/36/685351636.db2.gz	WPMPKIFVKGDMQF-UHFFFAOYSA-N	-1	0	309.347	0.741	20	30		DCEDRM
CC[C@@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813985616	685351654	/nfs/dbraw/zinc/35/16/54/685351654.db2.gz	ICILTMCPWCLSFV-SKDRFNHKSA-N	-1	0	311.363	0.819	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(OC)ccc1OC	ZINC000092480088	685108208	/nfs/dbraw/zinc/10/82/08/685108208.db2.gz	MVNCLPCMEKMSPL-UHFFFAOYSA-N	-1	0	313.331	0.412	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCCCN2C(=O)[C@H](C)C#N)c1[O-]	ZINC000964580611	689267091	/nfs/dbraw/zinc/26/70/91/689267091.db2.gz	UHCFUKZJVGUYKL-MWLCHTKSSA-N	-1	0	319.365	0.694	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@H]2CCCN(CC#N)C2)cc1=O	ZINC001007827505	690755061	/nfs/dbraw/zinc/75/50/61/690755061.db2.gz	VWLYGGSIMODNOK-ZDUSSCGKSA-N	-1	0	319.409	0.479	20	30		DCEDRM
N#CCN1CCC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001009191091	691005634	/nfs/dbraw/zinc/00/56/34/691005634.db2.gz	UWHNIAKSCOPKLE-VIFPVBQESA-N	-1	0	301.306	0.646	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc3nccnc3c2)c(=O)[n-]c1=O	ZINC001626041530	1158617645	/nfs/dbraw/zinc/61/76/45/1158617645.db2.gz	YHNYBBGMKJIXDT-UHFFFAOYSA-N	-1	0	322.284	0.402	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001746619227	1159053872	/nfs/dbraw/zinc/05/38/72/1159053872.db2.gz	ZXEOAGSEYKTZLJ-SECBINFHSA-N	-1	0	323.353	0.121	20	30		DCEDRM
Cc1cnc(NC(=N)SCCS(=O)(=O)[O-])c(C#N)n1	ZINC001157326015	1159080689	/nfs/dbraw/zinc/08/06/89/1159080689.db2.gz	BTOBCDIZBTXXEV-UHFFFAOYSA-N	-1	0	301.353	0.624	20	30		DCEDRM
CCc1oc(C=NN[C@@H]2CCS(=O)(=O)C2)cc1C(=O)[O-]	ZINC001610078647	1159834098	/nfs/dbraw/zinc/83/40/98/1159834098.db2.gz	BEWBCRCYMVRJOC-MRVPVSSYSA-N	-1	0	300.336	0.651	20	30		DCEDRM
C=CCC1(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CCCC1	ZINC001567821036	1160491176	/nfs/dbraw/zinc/49/11/76/1160491176.db2.gz	YGNDSYZBIMXGBI-UHFFFAOYSA-N	-1	0	305.382	0.947	20	30		DCEDRM
C#Cc1ccc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)cc1	ZINC001569411926	1161050985	/nfs/dbraw/zinc/05/09/85/1161050985.db2.gz	PMNSQSNBKHWCKN-UHFFFAOYSA-N	-1	0	311.345	0.544	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C(=O)[O-]	ZINC001573307037	1163411829	/nfs/dbraw/zinc/41/18/29/1163411829.db2.gz	GKRXUKQJMWWADR-JGVFFNPUSA-N	-1	0	312.775	0.026	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)Cn1cc(C(C)=O)nn1)C(=O)[O-]	ZINC001573307437	1163412881	/nfs/dbraw/zinc/41/28/81/1163412881.db2.gz	JILRQEAZULOMLU-QMMMGPOBSA-N	-1	0	300.702	0.193	20	30		DCEDRM
C=CCn1cccc1C(=O)N[C@@H](CC)CNC(=O)CNC(=O)[O-]	ZINC001573378733	1163420547	/nfs/dbraw/zinc/42/05/47/1163420547.db2.gz	KNMFTDNQGGWKRX-NSHDSACASA-N	-1	0	322.365	0.566	20	30		DCEDRM
C[C@@H](NC(=O)[C@@]1(C#N)CC2CCC1CC2)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001573553565	1163490991	/nfs/dbraw/zinc/49/09/91/1163490991.db2.gz	MAJQCZTYUFMAIL-VOBJUFRHSA-N	-1	0	321.377	0.800	20	30		DCEDRM
C[C@H](NC(=O)CC1(C#N)CCOCC1)c1nc(C(=O)[O-])n[nH]1	ZINC001573560081	1163496489	/nfs/dbraw/zinc/49/64/89/1163496489.db2.gz	PEOIXQRNXXZLFX-QMMMGPOBSA-N	-1	0	307.310	0.391	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1nc(C(=O)[O-])n[nH]1	ZINC001573590445	1163512108	/nfs/dbraw/zinc/51/21/08/1163512108.db2.gz	QQLWBWHMHJGKLP-MRVPVSSYSA-N	-1	0	315.289	0.458	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N[C@@H](C)c1nc(C(=O)[O-])n[nH]1	ZINC001574012834	1163624088	/nfs/dbraw/zinc/62/40/88/1163624088.db2.gz	WYKWZZAZPBETPB-ZETCQYMHSA-N	-1	0	315.289	0.874	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC001574012447	1163624406	/nfs/dbraw/zinc/62/44/06/1163624406.db2.gz	LLBSPUHNELYYTJ-DTWKUNHWSA-N	-1	0	319.317	0.274	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO	ZINC001574149013	1163648983	/nfs/dbraw/zinc/64/89/83/1163648983.db2.gz	GZZRKOIKQJROPO-DGCLKSJQSA-N	-1	0	303.318	0.567	20	30		DCEDRM
N#Cc1ccnc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)c1	ZINC001574248170	1163673111	/nfs/dbraw/zinc/67/31/11/1163673111.db2.gz	FBFQNGNOGLMIMF-QWHCGFSZSA-N	-1	0	312.285	0.265	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])s1	ZINC001574245697	1163673203	/nfs/dbraw/zinc/67/32/03/1163673203.db2.gz	YDUOJRVDWOTFRQ-SNVBAGLBSA-N	-1	0	315.376	0.503	20	30		DCEDRM
N#Cc1cccc(CC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)c1	ZINC001574248856	1163673208	/nfs/dbraw/zinc/67/32/08/1163673208.db2.gz	AFNIURFNNIBDKN-OLZOCXBDSA-N	-1	0	303.318	0.188	20	30		DCEDRM
N#Cc1csc(CNC(=O)CC2(C(=O)[O-])CCOCC2)n1	ZINC001574248617	1163673654	/nfs/dbraw/zinc/67/36/54/1163673654.db2.gz	LHZMLIYLWDOYQH-UHFFFAOYSA-N	-1	0	309.347	0.902	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)nc1	ZINC001574245611	1163673691	/nfs/dbraw/zinc/67/36/91/1163673691.db2.gz	SXFTZIIZWKNZBK-OLZOCXBDSA-N	-1	0	312.285	0.265	20	30		DCEDRM
N#Cc1csc(CNC(=O)NCc2cc(C(=O)[O-])no2)n1	ZINC001574248343	1163673849	/nfs/dbraw/zinc/67/38/49/1163673849.db2.gz	IGKKWAMBBPZVLG-UHFFFAOYSA-N	-1	0	307.291	0.700	20	30		DCEDRM
CC(C)OC(=O)[C@H](C)N(C)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001574296562	1163686858	/nfs/dbraw/zinc/68/68/58/1163686858.db2.gz	HXMMPBKKJZYTTO-QMMMGPOBSA-N	-1	0	316.325	0.305	20	30		DCEDRM
CC(C)OCc1noc(Cn2cnc(C#N)c2-c2nn[nH]n2)n1	ZINC001574340419	1163698654	/nfs/dbraw/zinc/69/86/54/1163698654.db2.gz	KKMAZEKYWXABJX-UHFFFAOYSA-N	-1	0	315.297	0.291	20	30		DCEDRM
CC[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1noc(C)n1	ZINC001576998720	1164578516	/nfs/dbraw/zinc/57/85/16/1164578516.db2.gz	HARYBFKPEXGBCE-SSDOTTSWSA-N	-1	0	312.297	0.783	20	30		DCEDRM
COC(=O)[C@@H](CC1CC1)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579433315	1165307697	/nfs/dbraw/zinc/30/76/97/1165307697.db2.gz	CUFPQUJJGGJOTG-MRVPVSSYSA-N	-1	0	314.309	0.282	20	30		DCEDRM
COC(=O)c1cccnc1Cn1c(C)nc(-c2nnn[n-]2)c1C#N	ZINC001579488385	1165331070	/nfs/dbraw/zinc/33/10/70/1165331070.db2.gz	BGKNJPKWFKKGDZ-UHFFFAOYSA-N	-1	0	324.304	0.473	20	30		DCEDRM
Cc1c[nH]c(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)c(C)c1=O	ZINC001580575742	1165643547	/nfs/dbraw/zinc/64/35/47/1165643547.db2.gz	RPMXCZUJHRGLQH-UHFFFAOYSA-N	-1	0	323.320	0.446	20	30		DCEDRM
Cn1ccnc1[C@@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001581797461	1165877970	/nfs/dbraw/zinc/87/79/70/1165877970.db2.gz	DAMCSJKPRMKBOH-SECBINFHSA-N	-1	0	322.336	0.256	20	30		DCEDRM
N#CC1(CC(=O)Nc2nc3n(c2-c2nn[nH]n2)CCOC3)CC1	ZINC001581856954	1165890117	/nfs/dbraw/zinc/89/01/17/1165890117.db2.gz	KSJHFGFFHRVXKQ-UHFFFAOYSA-N	-1	0	314.309	0.226	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[n-]c1-c1nn[nH]n1	ZINC001581860515	1165891612	/nfs/dbraw/zinc/89/16/12/1165891612.db2.gz	DYRPLTMXLHSOPG-MHYGZLNHSA-N	-1	0	314.309	0.215	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H](O)Cc2ccccc2)[n-]c1-c1nn[nH]n1	ZINC001581860546	1165891988	/nfs/dbraw/zinc/89/19/88/1165891988.db2.gz	GSQOSUJQQAKBKC-JTQLQIEISA-N	-1	0	324.304	0.004	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1C[C@H](O)c1ccc(F)cc1	ZINC001581860725	1165892662	/nfs/dbraw/zinc/89/26/62/1165892662.db2.gz	QAIOKFOAWKCXES-JTQLQIEISA-N	-1	0	314.284	0.390	20	30		DCEDRM
N#Cc1ccnc(Cn2c3c(cc(-c4nnn[n-]4)c2=O)CCC3)c1	ZINC001581876967	1165897145	/nfs/dbraw/zinc/89/71/45/1165897145.db2.gz	NDXZYWLPDQWQLU-UHFFFAOYSA-N	-1	0	319.328	0.832	20	30		DCEDRM
N#Cc1cnc(Cn2c3c(cc(-c4nnn[n-]4)c2=O)CCC3)nc1	ZINC001581877119	1165897267	/nfs/dbraw/zinc/89/72/67/1165897267.db2.gz	REVJHMFTDPQFGD-UHFFFAOYSA-N	-1	0	320.316	0.227	20	30		DCEDRM
N#Cc1ncc(NC[C@@H](O)c2cncs2)nc1-c1nnn[n-]1	ZINC001581882964	1165901657	/nfs/dbraw/zinc/90/16/57/1165901657.db2.gz	NAGDRVYJKILCJZ-SSDOTTSWSA-N	-1	0	315.322	0.130	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc1-c1nnn[n-]1	ZINC001581883380	1165901762	/nfs/dbraw/zinc/90/17/62/1165901762.db2.gz	XXRGBAWEQIHLDP-KKZNHRDASA-N	-1	0	312.337	0.898	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)nc1-c1nnn[n-]1	ZINC001581883378	1165902361	/nfs/dbraw/zinc/90/23/61/1165902361.db2.gz	XXRGBAWEQIHLDP-FXPVBKGRSA-N	-1	0	312.337	0.898	20	30		DCEDRM
C#C[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C	ZINC001588326581	1166524961	/nfs/dbraw/zinc/52/49/61/1166524961.db2.gz	PVBSCSRCDRSNHC-QMMMGPOBSA-N	-1	0	314.349	0.655	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588332929	1166528490	/nfs/dbraw/zinc/52/84/90/1166528490.db2.gz	WJCOHRWBJGAEQT-UWVGGRQHSA-N	-1	0	300.326	0.034	20	30		DCEDRM
C#CC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1	ZINC001588335623	1166532048	/nfs/dbraw/zinc/53/20/48/1166532048.db2.gz	SKAKRHXSCMDDAB-SNVBAGLBSA-N	-1	0	321.362	0.884	20	30		DCEDRM
C#CC[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1	ZINC001588337482	1166535764	/nfs/dbraw/zinc/53/57/64/1166535764.db2.gz	QNYNKXQXFBSXGP-SECBINFHSA-N	-1	0	307.335	0.494	20	30		DCEDRM
C#CCOCCn1nc(CC)c(CC)c(-c2nnn[n-]2)c1=O	ZINC001588363363	1166545688	/nfs/dbraw/zinc/54/56/88/1166545688.db2.gz	BAJMURFLIFAZCT-UHFFFAOYSA-N	-1	0	302.338	0.198	20	30		DCEDRM
C#Cc1cccc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)c1	ZINC001588374600	1166550195	/nfs/dbraw/zinc/55/01/95/1166550195.db2.gz	CMDMDICAXCBMHG-UHFFFAOYSA-N	-1	0	323.316	0.259	20	30		DCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001588405456	1166551233	/nfs/dbraw/zinc/55/12/33/1166551233.db2.gz	OEPOXKVPJQSOOP-VIFPVBQESA-N	-1	0	318.337	0.333	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc2c(cc1Cl)NC(=O)CO2)C(=O)[O-]	ZINC001588413776	1166551905	/nfs/dbraw/zinc/55/19/05/1166551905.db2.gz	CAEHNLAQWOCNCR-SECBINFHSA-N	-1	0	322.704	0.877	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)Cc1noc2ccccc12)C(=O)[O-]	ZINC001588423412	1166553995	/nfs/dbraw/zinc/55/39/95/1166553995.db2.gz	GFNBGVRZTZJOFX-JTQLQIEISA-N	-1	0	308.315	0.724	20	30		DCEDRM
C#CCN(CC1CC1)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588432220	1166555095	/nfs/dbraw/zinc/55/50/95/1166555095.db2.gz	FHUKSWZWWDGGOG-ZDUSSCGKSA-N	-1	0	321.377	0.507	20	30		DCEDRM
C=CC[C@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1	ZINC001588558872	1166563481	/nfs/dbraw/zinc/56/34/81/1166563481.db2.gz	FGABELYRVWCDQK-JTQLQIEISA-N	-1	0	302.342	0.273	20	30		DCEDRM
C=CCCC(C)(C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588578196	1166565372	/nfs/dbraw/zinc/56/53/72/1166565372.db2.gz	YNNZMDPFDFZZKW-SECBINFHSA-N	-1	0	304.358	0.880	20	30		DCEDRM
C=CCCSCCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588618029	1166569988	/nfs/dbraw/zinc/56/99/88/1166569988.db2.gz	OMIDELGTGXGGLJ-VIFPVBQESA-N	-1	0	322.398	0.445	20	30		DCEDRM
C=CCn1cc(C(=O)Nc2ccc(C#N)c(-c3nn[nH]n3)c2)nn1	ZINC001588713744	1166581110	/nfs/dbraw/zinc/58/11/10/1166581110.db2.gz	ROVHRJHJKJCKMA-UHFFFAOYSA-N	-1	0	321.304	0.768	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)Nc1ccnc(-c2nn[nH]n2)c1	ZINC001588737359	1166581533	/nfs/dbraw/zinc/58/15/33/1166581533.db2.gz	DCDNAWGRYMGJGE-SNVBAGLBSA-N	-1	0	301.310	0.158	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(-c2nn[nH]n2)n1	ZINC001588725405	1166582236	/nfs/dbraw/zinc/58/22/36/1166582236.db2.gz	DBIGBOQQKBSYPJ-CABZTGNLSA-N	-1	0	300.322	0.583	20	30		DCEDRM
C[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)n1cnc(-c2nnn[n-]2)n1	ZINC001588952765	1166622520	/nfs/dbraw/zinc/62/25/20/1166622520.db2.gz	YBGCXHXFOOSUBB-ZANVPECISA-N	-1	0	315.341	0.171	20	30		DCEDRM
C[C@@H](C(=O)NCc1cccc(C#N)c1)n1cnc(-c2nnn[n-]2)n1	ZINC001588999208	1166626791	/nfs/dbraw/zinc/62/67/91/1166626791.db2.gz	YPPJAAYYUZSJBT-VIFPVBQESA-N	-1	0	323.320	0.207	20	30		DCEDRM
C[C@@H](C(=O)OCC(C)(C)CCC#N)n1cnc(-c2nnn[n-]2)n1	ZINC001589027821	1166630765	/nfs/dbraw/zinc/63/07/65/1166630765.db2.gz	PYTRCAZCYUCWAR-VIFPVBQESA-N	-1	0	318.341	0.892	20	30		DCEDRM
CC(C)C[C@H](CCO)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589553327	1166667532	/nfs/dbraw/zinc/66/75/32/1166667532.db2.gz	WFRWINGRUVKXRX-JTQLQIEISA-N	-1	0	316.369	0.985	20	30		DCEDRM
C[C@H]1CC(Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H](C)O1	ZINC001590209305	1166816417	/nfs/dbraw/zinc/81/64/17/1166816417.db2.gz	LNKWIOYKUSJWOS-YUMQZZPRSA-N	-1	0	300.326	0.896	20	30		DCEDRM
CC[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)C(OC)OC	ZINC001590474137	1166919786	/nfs/dbraw/zinc/91/97/86/1166919786.db2.gz	YSVGQQJBBXRNCI-ZETCQYMHSA-N	-1	0	304.314	0.338	20	30		DCEDRM
CCO[C@@H]1C[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)[C@H]1OC	ZINC001590791277	1167021710	/nfs/dbraw/zinc/02/17/10/1167021710.db2.gz	MBNJHGOGWGEEFD-JWKOBGCHSA-N	-1	0	316.325	0.133	20	30		DCEDRM
COc1cccnc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001591654058	1167340577	/nfs/dbraw/zinc/34/05/77/1167340577.db2.gz	WKBMKMCGOJFQJD-UHFFFAOYSA-N	-1	0	311.265	0.117	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001591802421	1167382947	/nfs/dbraw/zinc/38/29/47/1167382947.db2.gz	YMIGKLHGMUJNAV-UHFFFAOYSA-N	-1	0	319.288	0.894	20	30		DCEDRM
Cc1ncc(C=Nn2c(C)cc(C)c(-c3nnn[n-]3)c2=O)n1C	ZINC001591956588	1167425025	/nfs/dbraw/zinc/42/50/25/1167425025.db2.gz	GWQFFEMMXQYPBK-UHFFFAOYSA-N	-1	0	312.337	0.569	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cnc(N(C)C)n2C)o1	ZINC001592338428	1167494322	/nfs/dbraw/zinc/49/43/22/1167494322.db2.gz	BKMCZFBYFDZJFK-UHFFFAOYSA-N	-1	0	316.329	0.409	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ncc3ccccn32)[n-]c1-c1nn[nH]n1	ZINC001592682049	1167600824	/nfs/dbraw/zinc/60/08/24/1167600824.db2.gz	NTMDPKJRAJFNDD-UHFFFAOYSA-N	-1	0	320.276	0.361	20	30		DCEDRM
N#Cc1ncc(NCc2cccc(CO)c2)nc1-c1nnn[n-]1	ZINC001592708725	1167606450	/nfs/dbraw/zinc/60/64/50/1167606450.db2.gz	LCFGPVBSCMAAEK-UHFFFAOYSA-N	-1	0	308.305	0.633	20	30		DCEDRM
N#Cc1ncc(N2C[C@@H]3C[C@H](O)CC[C@@H]3C2)nc1-c1nnn[n-]1	ZINC001592708292	1167606553	/nfs/dbraw/zinc/60/65/53/1167606553.db2.gz	HBLIMDAOXYVHOS-KXUCPTDWSA-N	-1	0	312.337	0.126	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@H]2[C@@H]2CCCO2)nc1-c1nnn[n-]1	ZINC001592708452	1167606899	/nfs/dbraw/zinc/60/68/99/1167606899.db2.gz	RPTLNNXDXCAERM-QWRGUYRKSA-N	-1	0	312.337	0.676	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)ncc1C#N	ZINC001600248982	1168149996	/nfs/dbraw/zinc/14/99/96/1168149996.db2.gz	VJEHFKALDMPMBB-UHFFFAOYSA-N	-1	0	302.290	0.181	20	30		DCEDRM
Cc1nc(C#N)c(C#N)n1CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC001600682938	1168247607	/nfs/dbraw/zinc/24/76/07/1168247607.db2.gz	ZBLJONUUMFNQSJ-UHFFFAOYSA-N	-1	0	315.333	0.839	20	30		DCEDRM
Cn1cc(/C=C\C(=O)c2cc(C(=O)[O-])co2)c(=O)n(C)c1=O	ZINC001600946570	1168525479	/nfs/dbraw/zinc/52/54/79/1168525479.db2.gz	QYRFEBQCNXYWQJ-ARJAWSKDSA-N	-1	0	304.258	0.271	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)CC1	ZINC001601049723	1168577905	/nfs/dbraw/zinc/57/79/05/1168577905.db2.gz	UWBVEEXSCGWHGI-MNOVXSKESA-N	-1	0	307.350	0.495	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCSC[C@@H]2CC(=O)[O-])CCC1	ZINC001601058410	1168578895	/nfs/dbraw/zinc/57/88/95/1168578895.db2.gz	SIHQXNAZBLANER-JTQLQIEISA-N	-1	0	318.420	0.902	20	30		DCEDRM
N#CC[C@@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)C(F)(F)F	ZINC001601061864	1168579423	/nfs/dbraw/zinc/57/94/23/1168579423.db2.gz	IGDCLMSELSODQX-JGVFFNPUSA-N	-1	0	309.244	0.716	20	30		DCEDRM
N#C[C@@H]1CSCCN1S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001601063690	1168579755	/nfs/dbraw/zinc/57/97/55/1168579755.db2.gz	WVOHBXOXERUULI-SECBINFHSA-N	-1	0	313.360	0.409	20	30		DCEDRM
N#CCCNC(=O)CN1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	ZINC001601068195	1168580464	/nfs/dbraw/zinc/58/04/64/1168580464.db2.gz	LMQJZPVLURNNKO-BDAKNGLRSA-N	-1	0	307.272	0.601	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)co1	ZINC001601084993	1168583585	/nfs/dbraw/zinc/58/35/85/1168583585.db2.gz	QWVDUNKEVNLIPL-OAHLLOKOSA-N	-1	0	319.317	0.153	20	30		DCEDRM
N#Cc1cc([N+](=O)[O-])c(NCCC(=O)NCCC(=O)[O-])cc1F	ZINC001601091157	1168584194	/nfs/dbraw/zinc/58/41/94/1168584194.db2.gz	RJMVJZPZFXXQLT-UHFFFAOYSA-N	-1	0	324.268	0.998	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1	ZINC001601095931	1168584459	/nfs/dbraw/zinc/58/44/59/1168584459.db2.gz	IDOLIRIZAMWOAZ-DVZHBHJUSA-N	-1	0	300.314	0.961	20	30		DCEDRM
N#Cc1ccc([C@H](C(N)=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1	ZINC001601095210	1168584498	/nfs/dbraw/zinc/58/44/98/1168584498.db2.gz	KMUHWONGIVDXMM-ZIAGYGMSSA-N	-1	0	317.345	0.242	20	30		DCEDRM
N#Cc1ccc(CCNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001601097412	1168584642	/nfs/dbraw/zinc/58/46/42/1168584642.db2.gz	DZFAIYZFOIGTQW-KBPBESRZSA-N	-1	0	317.345	0.578	20	30		DCEDRM
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC001601099476	1168584882	/nfs/dbraw/zinc/58/48/82/1168584882.db2.gz	OECKNSWEIDUTOQ-ZIAGYGMSSA-N	-1	0	313.313	0.553	20	30		DCEDRM
N#Cc1ccc(N(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C2CC2)nc1	ZINC001601106308	1168586173	/nfs/dbraw/zinc/58/61/73/1168586173.db2.gz	QTYWXYCYWDSAJY-OLZOCXBDSA-N	-1	0	314.345	0.759	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cc1	ZINC001601108881	1168586315	/nfs/dbraw/zinc/58/63/15/1168586315.db2.gz	XZSVXDVUEQVKNJ-GXTWGEPZSA-N	-1	0	303.318	0.407	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cc1	ZINC001601106791	1168586393	/nfs/dbraw/zinc/58/63/93/1168586393.db2.gz	CYJXQVAZOCBBEB-JTQLQIEISA-N	-1	0	323.255	0.818	20	30		DCEDRM
N#Cc1ccccc1N1CCN(C(=O)COCC(=O)[O-])CC1	ZINC001601125258	1168588165	/nfs/dbraw/zinc/58/81/65/1168588165.db2.gz	GPMRLIXTCBBYJK-UHFFFAOYSA-N	-1	0	303.318	0.308	20	30		DCEDRM
N#Cc1ccncc1C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1	ZINC001601128472	1168589774	/nfs/dbraw/zinc/58/97/74/1168589774.db2.gz	NPCMYCNBAJRRSL-UHFFFAOYSA-N	-1	0	317.301	0.433	20	30		DCEDRM
N#Cc1cnn2cc(CN3CCOC[C@@H]3CC(=O)[O-])cnc12	ZINC001601130672	1168590794	/nfs/dbraw/zinc/59/07/94/1168590794.db2.gz	JGORRXSYQAOZAV-LBPRGKRZSA-N	-1	0	301.306	0.276	20	30		DCEDRM
N#Cc1cnc(N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC001601130609	1168591490	/nfs/dbraw/zinc/59/14/90/1168591490.db2.gz	RTMDKYMKWSVUQR-IINYFYTJSA-N	-1	0	318.289	0.789	20	30		DCEDRM
N#Cc1cncc(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)c1	ZINC001601130162	1168591660	/nfs/dbraw/zinc/59/16/60/1168591660.db2.gz	ALGLOBNJACAUGP-UHFFFAOYSA-N	-1	0	309.347	0.628	20	30		DCEDRM
N#Cc1csc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1	ZINC001601131340	1168591940	/nfs/dbraw/zinc/59/19/40/1168591940.db2.gz	WSBMHSKHAMUFGB-SECBINFHSA-N	-1	0	307.331	0.425	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NC[C@@H]1CCCN(C(N)=O)C1	ZINC001601133316	1168593312	/nfs/dbraw/zinc/59/33/12/1168593312.db2.gz	PLJWEMDPEDBXCW-VIFPVBQESA-N	-1	0	303.322	0.854	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCC2(COC(=O)N2)CC1	ZINC001601133081	1168593544	/nfs/dbraw/zinc/59/35/44/1168593544.db2.gz	JKRYCILIOGIZAM-UHFFFAOYSA-N	-1	0	302.290	0.730	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])n1	ZINC001601136133	1168594736	/nfs/dbraw/zinc/59/47/36/1168594736.db2.gz	HSZQDTGZDUIPOT-VHSXEESVSA-N	-1	0	306.326	0.092	20	30		DCEDRM
O=C([O-])c1nccc(NCC2CC(NC(=O)C#CC3CC3)C2)n1	ZINC001601224091	1168666310	/nfs/dbraw/zinc/66/63/10/1168666310.db2.gz	QEHFGUMUMDCPEK-UHFFFAOYSA-N	-1	0	314.345	0.317	20	30		DCEDRM
O=C([O-])c1cnc(NC2CCN(C(=O)C#CC3CC3)CC2)nc1	ZINC001602530778	1169107138	/nfs/dbraw/zinc/10/71/38/1169107138.db2.gz	JTYWRWKGZHDLJA-UHFFFAOYSA-N	-1	0	314.345	0.991	20	30		DCEDRM
C#CC(=O)N1C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@]2(C(=O)[O-])C1	ZINC001602670594	1169155277	/nfs/dbraw/zinc/15/52/77/1169155277.db2.gz	XSGANYLVOMUWCW-USBNGQNGSA-N	-1	0	322.361	0.836	20	30		DCEDRM
C#CC1(O)CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1	ZINC001602677495	1169156679	/nfs/dbraw/zinc/15/66/79/1169156679.db2.gz	ZOHSWGQCMNTBHW-UHFFFAOYSA-N	-1	0	323.370	0.463	20	30		DCEDRM
C#CC[C@H](NC(=O)CCc1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC001602687562	1169158543	/nfs/dbraw/zinc/15/85/43/1169158543.db2.gz	PZCHKEQPGXQBMQ-ZDUSSCGKSA-N	-1	0	323.370	0.615	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ncc(C(=O)OCC)n1C	ZINC001602688577	1169159868	/nfs/dbraw/zinc/15/98/68/1169159868.db2.gz	QQSRLWBXWTVOOF-UHFFFAOYSA-N	-1	0	308.294	0.149	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)C1	ZINC001602696300	1169163042	/nfs/dbraw/zinc/16/30/42/1169163042.db2.gz	HMYUUAYULKZSCO-SNVBAGLBSA-N	-1	0	312.333	0.761	20	30		DCEDRM
C#CCCCC(=O)N(C)CCN(C)c1ccnc(C(=O)[O-])n1	ZINC001602701831	1169166758	/nfs/dbraw/zinc/16/67/58/1169166758.db2.gz	YVUMRRGUWAUOLK-UHFFFAOYSA-N	-1	0	304.350	0.873	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])ccc1OCC	ZINC001602715996	1169167524	/nfs/dbraw/zinc/16/75/24/1169167524.db2.gz	XTTLLFYOWVSXPG-UHFFFAOYSA-N	-1	0	322.342	0.931	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N(C)CCN(C)c1ccnc(C(=O)[O-])n1	ZINC001602726261	1169174426	/nfs/dbraw/zinc/17/44/26/1169174426.db2.gz	OAKMFZGUDYCRDD-NSHDSACASA-N	-1	0	320.349	0.108	20	30		DCEDRM
C#CCOc1ccc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])cc1	ZINC001602730681	1169175042	/nfs/dbraw/zinc/17/50/42/1169175042.db2.gz	ZHMMYBHLUFGOFU-ZDUSSCGKSA-N	-1	0	319.313	0.645	20	30		DCEDRM
C#Cc1cncc(C(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)[O-])c1	ZINC001602743408	1169177284	/nfs/dbraw/zinc/17/72/84/1169177284.db2.gz	OMJBURJEPMMPKU-WCQYABFASA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cnn2c1OCCC2)C(=O)[O-]	ZINC001602758003	1169179444	/nfs/dbraw/zinc/17/94/44/1169179444.db2.gz	ZPXLOOUTOJUHSA-VIFPVBQESA-N	-1	0	315.351	0.363	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001602770996	1169182657	/nfs/dbraw/zinc/18/26/57/1169182657.db2.gz	GOEXEKCFGKCOMK-ZYHUDNBSSA-N	-1	0	306.322	0.341	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1	ZINC001602776219	1169182968	/nfs/dbraw/zinc/18/29/68/1169182968.db2.gz	NYBLILMUCBQIFI-NSHDSACASA-N	-1	0	311.334	0.446	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@@H](C)CNc2ccnc(C(=O)[O-])n2)C1	ZINC001602791481	1169184109	/nfs/dbraw/zinc/18/41/09/1169184109.db2.gz	RDQZGYWSZNJSAE-JTQLQIEISA-N	-1	0	304.350	0.870	20	30		DCEDRM
C=C1CCC(CNC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1	ZINC001602791890	1169184770	/nfs/dbraw/zinc/18/47/70/1169184770.db2.gz	DFKGQKCURRPTIK-QWHCGFSZSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC001602829226	1169190759	/nfs/dbraw/zinc/19/07/59/1169190759.db2.gz	XZCWTTAJOKNIEJ-IAQYHMDHSA-N	-1	0	310.350	0.256	20	30		DCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1	ZINC001602855354	1169192324	/nfs/dbraw/zinc/19/23/24/1169192324.db2.gz	NUYTZEDGIYMAKR-AAEUAGOBSA-N	-1	0	324.377	0.095	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-]	ZINC001602862807	1169193500	/nfs/dbraw/zinc/19/35/00/1169193500.db2.gz	IBLKRYOUUCVASC-JQWIXIFHSA-N	-1	0	320.349	0.688	20	30		DCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1cnccc1-c1nn[nH]n1	ZINC001602863752	1169194347	/nfs/dbraw/zinc/19/43/47/1169194347.db2.gz	OAUQQFIEAMFDAB-QMMMGPOBSA-N	-1	0	302.294	0.109	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@]1(C)CCCS1(=O)=O)C(=O)[O-]	ZINC001602862448	1169194429	/nfs/dbraw/zinc/19/44/29/1169194429.db2.gz	FIAILEPCIRMEPV-GWCFXTLKSA-N	-1	0	303.380	0.879	20	30		DCEDRM
C=CCNC(=O)CNC(=O)c1cc(-c2nn[nH]n2)ccc1Cl	ZINC001602862713	1169195056	/nfs/dbraw/zinc/19/50/56/1169195056.db2.gz	GVDXWKKEMKMIIV-UHFFFAOYSA-N	-1	0	320.740	0.552	20	30		DCEDRM
C=CCCC[C@H](NC(=O)CCc1nc(N(C)C)no1)C(=O)[O-]	ZINC001602865514	1169196100	/nfs/dbraw/zinc/19/61/00/1169196100.db2.gz	LOPOVLOATLXPMZ-JTQLQIEISA-N	-1	0	310.354	0.994	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1cn(C[C@H]2CCOC2)nn1)C(=O)[O-]	ZINC001602872210	1169196437	/nfs/dbraw/zinc/19/64/37/1169196437.db2.gz	QYEKJXLBVOFDGE-VXGBXAGGSA-N	-1	0	322.365	0.854	20	30		DCEDRM
C=CCCN(C)C(=O)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001602880035	1169198206	/nfs/dbraw/zinc/19/82/06/1169198206.db2.gz	AVJDOXZRJCCCNC-BGMSHATGSA-N	-1	0	324.377	0.550	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)nn1	ZINC001602884597	1169198233	/nfs/dbraw/zinc/19/82/33/1169198233.db2.gz	KRMCYWYVPIWHSV-AWEZNQCLSA-N	-1	0	319.321	0.300	20	30		DCEDRM
C=CCCOCCNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001602881153	1169198516	/nfs/dbraw/zinc/19/85/16/1169198516.db2.gz	VDHYEHGLTXGKMZ-LLVKDONJSA-N	-1	0	323.353	0.525	20	30		DCEDRM
C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001602901461	1169201758	/nfs/dbraw/zinc/20/17/58/1169201758.db2.gz	LYSVVQURRMDYIK-UHFFFAOYSA-N	-1	0	319.317	0.050	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001602915805	1169204158	/nfs/dbraw/zinc/20/41/58/1169204158.db2.gz	ZCPDGBUNKNPPTJ-GFCCVEGCSA-N	-1	0	324.358	0.687	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1c(C)cccc1C#N)C(=O)[O-]	ZINC001602914779	1169204205	/nfs/dbraw/zinc/20/42/05/1169204205.db2.gz	CPWZPHYJKPXYRR-GFCCVEGCSA-N	-1	0	324.358	0.801	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(-n2cncn2)cc1)C(=O)[O-]	ZINC001602913497	1169204394	/nfs/dbraw/zinc/20/43/94/1169204394.db2.gz	SOHREVNSYZRZAZ-CYBMUJFWSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001602940375	1169214255	/nfs/dbraw/zinc/21/42/55/1169214255.db2.gz	UXKRMZMLGKEJFW-PWSUYJOCSA-N	-1	0	312.347	0.792	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-]	ZINC001602945614	1169215638	/nfs/dbraw/zinc/21/56/38/1169215638.db2.gz	YQJKLNNLKDUVSM-MRVPVSSYSA-N	-1	0	305.739	0.863	20	30		DCEDRM
CC#CC[C@@H](CO)Nc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC001602946531	1169219223	/nfs/dbraw/zinc/21/92/23/1169219223.db2.gz	ZIUNKMZPRUYSAK-VIFPVBQESA-N	-1	0	312.347	0.218	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@H](CCNc2ccnc(C(=O)[O-])n2)C1	ZINC001603130438	1169249849	/nfs/dbraw/zinc/24/98/49/1169249849.db2.gz	VRTRLRYEWZCDMI-QWRGUYRKSA-N	-1	0	317.349	0.407	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C(=O)[O-])n1	ZINC001603130571	1169250778	/nfs/dbraw/zinc/25/07/78/1169250778.db2.gz	YMTFTJDFAHLLHS-ZDCRXTMVSA-N	-1	0	315.333	0.560	20	30		DCEDRM
C[C@@H](C(=O)N[C@@H](CC1CCOCC1)C(=O)[O-])n1cnc(C#N)n1	ZINC001603155546	1169259055	/nfs/dbraw/zinc/25/90/55/1169259055.db2.gz	PXOVULXYJGMNEL-ONGXEEELSA-N	-1	0	321.337	0.097	20	30		DCEDRM
C[C@@](O)(CNS(=O)(=O)c1cccc(C#N)c1Cl)C(=O)[O-]	ZINC001603263929	1169284369	/nfs/dbraw/zinc/28/43/69/1169284369.db2.gz	XAIKETLOPWHWLU-LLVKDONJSA-N	-1	0	318.738	0.326	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NC(C)Cn2ccccc2=O)o1	ZINC001603591025	1169332143	/nfs/dbraw/zinc/33/21/43/1169332143.db2.gz	RRBNAWFFNPCHQV-UHFFFAOYSA-N	-1	0	314.309	0.813	20	30		DCEDRM
CC(C)(NS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H](O)C(=O)[O-]	ZINC001603686150	1169352857	/nfs/dbraw/zinc/35/28/57/1169352857.db2.gz	PRQZZIGXGYMGRN-NSHDSACASA-N	-1	0	312.347	0.202	20	30		DCEDRM
C[C@]1(C2CC2)CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCO1	ZINC001603798384	1169394904	/nfs/dbraw/zinc/39/49/04/1169394904.db2.gz	WVYITGKZDLWCFY-CQSZACIVSA-N	-1	0	312.337	0.534	20	30		DCEDRM
CC(C)S(=O)(=O)CCCN1CCC(C#N)(C(=O)[O-])CC1	ZINC001603960025	1169452690	/nfs/dbraw/zinc/45/26/90/1169452690.db2.gz	SVVPDLZKKZXHHA-UHFFFAOYSA-N	-1	0	302.396	0.890	20	30		DCEDRM
C[C@@](CC(=O)[O-])(NS(=O)(=O)c1cncc(C#N)c1)C1CC1	ZINC001604090314	1169489294	/nfs/dbraw/zinc/48/92/94/1169489294.db2.gz	NPGVDPCHVBUGQS-ZDUSSCGKSA-N	-1	0	309.347	0.875	20	30		DCEDRM
CCc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)ccc1O	ZINC001604517295	1169609484	/nfs/dbraw/zinc/60/94/84/1169609484.db2.gz	INBIEZDTRIHSHE-UHFFFAOYSA-N	-1	0	324.304	0.982	20	30		DCEDRM
CC1(C)COC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001604552564	1169615185	/nfs/dbraw/zinc/61/51/85/1169615185.db2.gz	IJAYBIQFUWGCRE-LBPRGKRZSA-N	-1	0	324.358	0.960	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCC[C@@](C)(C#N)C1	ZINC001604625487	1169635014	/nfs/dbraw/zinc/63/50/14/1169635014.db2.gz	YKTDTGSOLUXNET-HFAKWTLXSA-N	-1	0	307.350	0.460	20	30		DCEDRM
C[C@@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)CN1C(=O)C#CC1CC1	ZINC001604675970	1169651604	/nfs/dbraw/zinc/65/16/04/1169651604.db2.gz	CYRQXKZISNOEMG-ZYHUDNBSSA-N	-1	0	314.345	0.411	20	30		DCEDRM
CN(OCC(F)(F)F)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001604826829	1169699534	/nfs/dbraw/zinc/69/95/34/1169699534.db2.gz	LRSDROMLCFHKOC-UHFFFAOYSA-N	-1	0	300.204	0.458	20	30		DCEDRM
CCNC(=O)N1CC[C@H](Nc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001605495047	1169938846	/nfs/dbraw/zinc/93/88/46/1169938846.db2.gz	MNIBERLOFUUPCT-VIFPVBQESA-N	-1	0	303.322	0.867	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)NCC(=O)NCC(=O)[O-]	ZINC001605677955	1169984977	/nfs/dbraw/zinc/98/49/77/1169984977.db2.gz	QPRZMAURSXYTQW-UHFFFAOYSA-N	-1	0	320.305	0.279	20	30		DCEDRM
Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](C)N(CC#N)[C@@H](C)C2)n1	ZINC001605764453	1169998164	/nfs/dbraw/zinc/99/81/64/1169998164.db2.gz	RQEHUSUCYAZKMF-TXEJJXNPSA-N	-1	0	312.381	0.993	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(C[C@H]2CCCC[C@@H]2C(=O)[O-])c1=O	ZINC001605915733	1170026297	/nfs/dbraw/zinc/02/62/97/1170026297.db2.gz	WNZAKXRNPYELGK-PWSUYJOCSA-N	-1	0	305.334	0.793	20	30		DCEDRM
Cc1cncc(CCNc2cnc(C#N)c(-c3nnn[n-]3)n2)n1	ZINC001605984230	1170041638	/nfs/dbraw/zinc/04/16/38/1170041638.db2.gz	AGEYNKZBCBHSPU-UHFFFAOYSA-N	-1	0	308.309	0.281	20	30		DCEDRM
CN(C)c1ccc(S(=O)(=O)N(CC#N)CCC(=O)[O-])cc1	ZINC001606061279	1170067432	/nfs/dbraw/zinc/06/74/32/1170067432.db2.gz	XLAZUYLLUCKJEU-UHFFFAOYSA-N	-1	0	311.363	0.742	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001606166256	1170097031	/nfs/dbraw/zinc/09/70/31/1170097031.db2.gz	SRURCCGURGHRSJ-JOCQHMNTSA-N	-1	0	315.329	0.496	20	30		DCEDRM
CN1CC[C@@H](C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1=O	ZINC001606212059	1170117152	/nfs/dbraw/zinc/11/71/52/1170117152.db2.gz	JMWJUCMWFRZODE-NEPJUHHUSA-N	-1	0	302.286	0.705	20	30		DCEDRM
N#CC1(CCCn2cnc(-c3nnn[n-]3)cc2=O)CCOCC1	ZINC001606343906	1170163199	/nfs/dbraw/zinc/16/31/99/1170163199.db2.gz	UYAWLELAQFUFPG-UHFFFAOYSA-N	-1	0	315.337	0.524	20	30		DCEDRM
N#CC1(NC(=O)CNc2ccc(F)c(-c3nn[nH]n3)c2)CCC1	ZINC001606344744	1170163729	/nfs/dbraw/zinc/16/37/29/1170163729.db2.gz	SOPYUMSTWYROJD-UHFFFAOYSA-N	-1	0	315.312	0.980	20	30		DCEDRM
N#CC1(NC(=O)CNc2cc(F)cc(-c3nn[nH]n3)c2)CCC1	ZINC001606344654	1170163972	/nfs/dbraw/zinc/16/39/72/1170163972.db2.gz	QGOSMAOTQSFZPK-UHFFFAOYSA-N	-1	0	315.312	0.980	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cccnc2Cl)[n-]c1-c1nn[nH]n1	ZINC001606355885	1170169521	/nfs/dbraw/zinc/16/95/21/1170169521.db2.gz	VCNVHYFQPLDGOA-UHFFFAOYSA-N	-1	0	315.684	0.762	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cc(Cl)c[nH]2)[n-]c1-c1nn[nH]n1	ZINC001606355779	1170169710	/nfs/dbraw/zinc/16/97/10/1170169710.db2.gz	OIKODZCWUJQPCX-UHFFFAOYSA-N	-1	0	303.673	0.695	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@@H](n3ccnc3)C2)nc1-c1nnn[n-]1	ZINC001606397094	1170183476	/nfs/dbraw/zinc/18/34/76/1170183476.db2.gz	GTKNUUHLNNHABL-SNVBAGLBSA-N	-1	0	322.336	0.566	20	30		DCEDRM
COC(=O)c1cccc([C@@H](C(=O)[O-])N2CC(O)(CC#N)C2)c1	ZINC001606613182	1170242337	/nfs/dbraw/zinc/24/23/37/1170242337.db2.gz	QPOYQZMWFPNRSE-LBPRGKRZSA-N	-1	0	304.302	0.559	20	30		DCEDRM
COCC[C@@](C)(C#N)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001606851084	1170313937	/nfs/dbraw/zinc/31/39/37/1170313937.db2.gz	BMCMNNMMNARQOW-JTQLQIEISA-N	-1	0	319.364	0.438	20	30		DCEDRM
COCC[C@@H](C)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001606852628	1170314423	/nfs/dbraw/zinc/31/44/23/1170314423.db2.gz	PENUJOKKGFRRTE-SNVBAGLBSA-N	-1	0	304.368	0.432	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001606884780	1170323001	/nfs/dbraw/zinc/32/30/01/1170323001.db2.gz	OXDVWWZCVHSQBY-UHFFFAOYSA-N	-1	0	318.395	0.823	20	30		DCEDRM
COc1ccc2c(c1)OC[C@@H]2CC(=O)N(CC#N)CC(=O)[O-]	ZINC001607298412	1170424594	/nfs/dbraw/zinc/42/45/94/1170424594.db2.gz	FSPWQSSZMCZMTP-JTQLQIEISA-N	-1	0	304.302	0.998	20	30		DCEDRM
COc1cccc(OC)c1OC[C@H](O)CN(CC#N)CC(=O)[O-]	ZINC001607327877	1170429054	/nfs/dbraw/zinc/42/90/54/1170429054.db2.gz	APPHQODNNVIHIT-LLVKDONJSA-N	-1	0	324.333	0.354	20	30		DCEDRM
COc1ncc(NC(=O)N2CCC(O)(C(=O)[O-])CC2)cc1C#N	ZINC001607358573	1170434513	/nfs/dbraw/zinc/43/45/13/1170434513.db2.gz	KHXUOBDRBTZMIQ-UHFFFAOYSA-N	-1	0	320.305	0.405	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)NCc1ccc(C#N)s1)C(=O)[O-]	ZINC001607458802	1170457965	/nfs/dbraw/zinc/45/79/65/1170457965.db2.gz	JCAICKAHIHCONV-YUMQZZPRSA-N	-1	0	324.362	0.397	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC001607458898	1170458196	/nfs/dbraw/zinc/45/81/96/1170458196.db2.gz	RPXQTOYPQCMGOU-YUMQZZPRSA-N	-1	0	307.281	0.405	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC001607724510	1170500018	/nfs/dbraw/zinc/50/00/18/1170500018.db2.gz	PUHRBLNXGGKBJM-CQSZACIVSA-N	-1	0	324.358	0.779	20	30		DCEDRM
Cc1cn(C2CCOCC2)nc1C(=O)N(CC#N)CC(=O)[O-]	ZINC001607901575	1170520757	/nfs/dbraw/zinc/52/07/57/1170520757.db2.gz	SHPNSUGFDUJSGU-UHFFFAOYSA-N	-1	0	306.322	0.593	20	30		DCEDRM
Cc1nn(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)c(C#N)c1C	ZINC001608003728	1170545634	/nfs/dbraw/zinc/54/56/34/1170545634.db2.gz	NYAPHYDSHKVOKW-GFCCVEGCSA-N	-1	0	320.349	0.347	20	30		DCEDRM
Cn1cc(Br)c(CN(CC#N)CCC(=O)[O-])n1	ZINC001608093444	1170569338	/nfs/dbraw/zinc/56/93/38/1170569338.db2.gz	DWZOVBZXHPNZBW-UHFFFAOYSA-N	-1	0	301.144	0.983	20	30		DCEDRM
N#CCC(=O)N1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1	ZINC001608178415	1170610961	/nfs/dbraw/zinc/61/09/61/1170610961.db2.gz	NKUYRUVOPDLXTH-UHFFFAOYSA-N	-1	0	319.277	0.250	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)nc1	ZINC001608184072	1170611887	/nfs/dbraw/zinc/61/18/87/1170611887.db2.gz	PETDSADMOFRXHO-UHFFFAOYSA-N	-1	0	323.252	0.699	20	30		DCEDRM
N#CCNC(=O)CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl	ZINC001608188003	1170612877	/nfs/dbraw/zinc/61/28/77/1170612877.db2.gz	JYODOXFFOIVBGA-UHFFFAOYSA-N	-1	0	311.685	0.194	20	30		DCEDRM
N#Cc1ccc(CCC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cc1	ZINC001608205130	1170614892	/nfs/dbraw/zinc/61/48/92/1170614892.db2.gz	WLALDWPSTYCYMP-ZDUSSCGKSA-N	-1	0	313.317	0.352	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CS(=O)(=O)CCCC(=O)[O-])cc1	ZINC001608204863	1170615306	/nfs/dbraw/zinc/61/53/06/1170615306.db2.gz	MMPMBMTUXDWCCY-UHFFFAOYSA-N	-1	0	324.358	0.454	20	30		DCEDRM
N#Cc1cccc(CNC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c1	ZINC001608217618	1170617645	/nfs/dbraw/zinc/61/76/45/1170617645.db2.gz	LYEDMUZRKVEKNV-CQSZACIVSA-N	-1	0	317.345	0.925	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1	ZINC001608222911	1170618003	/nfs/dbraw/zinc/61/80/03/1170618003.db2.gz	MURYVKKBHOJDHZ-QWHCGFSZSA-N	-1	0	321.358	0.685	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCN(C[C@H]2CCCO2)CC1	ZINC001608223796	1170619243	/nfs/dbraw/zinc/61/92/43/1170619243.db2.gz	JLBGAIILVMMIGW-GFCCVEGCSA-N	-1	0	316.361	0.952	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1	ZINC001608223348	1170619247	/nfs/dbraw/zinc/61/92/47/1170619247.db2.gz	AMMREKPAHRFVLA-ZJUUUORDSA-N	-1	0	321.358	0.522	20	30		DCEDRM
O=C([O-])[C@H]1CCC[C@H]1NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001608310603	1170647354	/nfs/dbraw/zinc/64/73/54/1170647354.db2.gz	OIPGLYBPVKXVCI-QIHHWRFWSA-N	-1	0	321.333	0.272	20	30		DCEDRM
O=C([O-])C1(C(=O)COC(=O)c2cccc(C#CCO)c2)CC1	ZINC001609016586	1170785345	/nfs/dbraw/zinc/78/53/45/1170785345.db2.gz	IQLQTDGUEYSNGV-UHFFFAOYSA-N	-1	0	302.282	0.621	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC001609020303	1170786962	/nfs/dbraw/zinc/78/69/62/1170786962.db2.gz	XTLMOWULBDCPRK-UHFFFAOYSA-N	-1	0	319.346	0.475	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)cc1C	ZINC001609060211	1170796555	/nfs/dbraw/zinc/79/65/55/1170796555.db2.gz	DCISTKMORRWCGX-UHFFFAOYSA-N	-1	0	319.346	0.258	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1)C(=O)[O-]	ZINC001609076330	1170800171	/nfs/dbraw/zinc/80/01/71/1170800171.db2.gz	HWPDFFZLQBGWIT-SMDDNHRTSA-N	-1	0	316.313	0.393	20	30		DCEDRM
C#CCC(CC#C)C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001609076729	1170801069	/nfs/dbraw/zinc/80/10/69/1170801069.db2.gz	VRCPQBIPKSXUML-UHFFFAOYSA-N	-1	0	314.345	0.803	20	30		DCEDRM
C#CCC(CC#C)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001609076753	1170801191	/nfs/dbraw/zinc/80/11/91/1170801191.db2.gz	WRLYEMWLNQOANI-CYBMUJFWSA-N	-1	0	314.345	0.803	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cn(-c2cccc(OC)c2)nn1)C(=O)[O-]	ZINC001609089539	1170803207	/nfs/dbraw/zinc/80/32/07/1170803207.db2.gz	OYROAXATPJAWJZ-GFCCVEGCSA-N	-1	0	314.301	0.482	20	30		DCEDRM
CC(C)COCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001609096625	1170807200	/nfs/dbraw/zinc/80/72/00/1170807200.db2.gz	NDRTVNMAJRSEPV-UHFFFAOYSA-N	-1	0	304.314	0.463	20	30		DCEDRM
C#CCCCNC(=O)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC001609106616	1170811143	/nfs/dbraw/zinc/81/11/43/1170811143.db2.gz	CTRCZRUWWXAGCH-UHFFFAOYSA-N	-1	0	318.329	0.999	20	30		DCEDRM
C#CC[C@@H]1NC(=O)N(CCOc2ccc(C(=O)[O-])cc2)C1=O	ZINC001609105220	1170812277	/nfs/dbraw/zinc/81/22/77/1170812277.db2.gz	OWTJTGXQXRQMJJ-LBPRGKRZSA-N	-1	0	302.286	0.707	20	30		DCEDRM
CC1(C)CC[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)O1	ZINC001609145070	1170825538	/nfs/dbraw/zinc/82/55/38/1170825538.db2.gz	YTUJMBHTIRUEEQ-ZETCQYMHSA-N	-1	0	302.298	0.358	20	30		DCEDRM
C#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC	ZINC001609137472	1170825613	/nfs/dbraw/zinc/82/56/13/1170825613.db2.gz	WRVZLYMFFSWABH-UHFFFAOYSA-N	-1	0	317.344	0.487	20	30		DCEDRM
C#CCO[C@H](C)C(=O)OCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC001609162235	1170833833	/nfs/dbraw/zinc/83/38/33/1170833833.db2.gz	OXCOZJWEZOQICT-SNVBAGLBSA-N	-1	0	305.286	0.905	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001609248471	1170898408	/nfs/dbraw/zinc/89/84/08/1170898408.db2.gz	YOMZVBQUSVPVBT-OAHLLOKOSA-N	-1	0	312.366	0.409	20	30		DCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001609266894	1170904406	/nfs/dbraw/zinc/90/44/06/1170904406.db2.gz	FNFAIEANJPQQGR-JTQLQIEISA-N	-1	0	315.347	0.629	20	30		DCEDRM
Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)O[C@@H](C)C#N	ZINC001609378350	1170957523	/nfs/dbraw/zinc/95/75/23/1170957523.db2.gz	YINBCRUSCAXLOG-ZETCQYMHSA-N	-1	0	316.321	0.972	20	30		DCEDRM
C=CCN1CCN(C[N@@H+](CCC(=O)[O-])C2CCOCC2)C1=O	ZINC001609398660	1170964087	/nfs/dbraw/zinc/96/40/87/1170964087.db2.gz	AJYVGJKPEOFHRO-UHFFFAOYSA-N	-1	0	311.382	0.823	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CNC(=O)C1CCCCC1)C(=O)[O-]	ZINC001609432279	1170974622	/nfs/dbraw/zinc/97/46/22/1170974622.db2.gz	LJHFXQGMUBQPSE-GFCCVEGCSA-N	-1	0	312.366	0.455	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnn(C)c1C(F)F)C(=O)[O-]	ZINC001609443316	1170978632	/nfs/dbraw/zinc/97/86/32/1170978632.db2.gz	ZDKYBMCKNVJQAT-QMMMGPOBSA-N	-1	0	303.265	0.743	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(=O)OC	ZINC001609443091	1170978745	/nfs/dbraw/zinc/97/87/45/1170978745.db2.gz	RFQBTBQHXZCCNW-GFCCVEGCSA-N	-1	0	307.302	0.859	20	30		DCEDRM
N#Cc1nc(NC(=O)COC2CCCC2)[n-]c1-c1nn[nH]n1	ZINC001609496634	1170999066	/nfs/dbraw/zinc/99/90/66/1170999066.db2.gz	ZEARNZBUSPHXBB-UHFFFAOYSA-N	-1	0	302.298	0.359	20	30		DCEDRM
C[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)C1	ZINC001609853220	1171103974	/nfs/dbraw/zinc/10/39/74/1171103974.db2.gz	WASZZYSNYNBVJG-SNVBAGLBSA-N	-1	0	303.318	0.677	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cncc(C#N)c1	ZINC001610033351	1171143543	/nfs/dbraw/zinc/14/35/43/1171143543.db2.gz	IAXVUAJBMFUFIO-LLVKDONJSA-N	-1	0	313.335	0.063	20	30		DCEDRM
COCC[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)C(=O)[O-]	ZINC001610255052	1171210475	/nfs/dbraw/zinc/21/04/75/1171210475.db2.gz	CKTQQANGEOIWFX-CYBMUJFWSA-N	-1	0	305.334	0.844	20	30		DCEDRM
COc1ccc(NC(=O)C(=O)NC[C@H](C)C#N)c(C(=O)[O-])c1	ZINC001610339981	1171222070	/nfs/dbraw/zinc/22/20/70/1171222070.db2.gz	GNEJAONPNLZEQW-MRVPVSSYSA-N	-1	0	305.290	0.608	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CC[C@@](O)(CC#N)C2)c1C(=O)[O-]	ZINC001610524763	1171246774	/nfs/dbraw/zinc/24/67/74/1171246774.db2.gz	MGJXFIOUGGECHR-AWEZNQCLSA-N	-1	0	324.358	0.732	20	30		DCEDRM
Cc1ccn(CN2CCSC[C@H]2CC(=O)[O-])c(=O)c1C#N	ZINC001610534892	1171248234	/nfs/dbraw/zinc/24/82/34/1171248234.db2.gz	MSOWGIUKDZMNBY-LLVKDONJSA-N	-1	0	307.375	0.878	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1	ZINC001610624605	1171271287	/nfs/dbraw/zinc/27/12/87/1171271287.db2.gz	VUUIXLLDMFDCAH-VXGBXAGGSA-N	-1	0	324.358	0.209	20	30		DCEDRM
N#CCCCCS(=O)(=O)NC1(C(=O)[O-])CCSCC1	ZINC001610621974	1171271469	/nfs/dbraw/zinc/27/14/69/1171271469.db2.gz	XFKSSGGIXIAHCV-UHFFFAOYSA-N	-1	0	306.409	0.950	20	30		DCEDRM
O=C(Nc1cnn(-c2ccccn2)c1)N[C@H]1CCCN(O)C1=O	ZINC001623134180	1171433079	/nfs/dbraw/zinc/43/30/79/1171433079.db2.gz	UUJTXRUUSCXPLK-NSHDSACASA-N	-1	0	316.321	0.769	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)c1nc[n-]c(=O)c1Br	ZINC001631912995	1171604634	/nfs/dbraw/zinc/60/46/34/1171604634.db2.gz	SKXHQORWBKCRQX-ZETCQYMHSA-N	-1	0	316.155	0.859	20	30		DCEDRM
N#CCCCCCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001633550435	1171647009	/nfs/dbraw/zinc/64/70/09/1171647009.db2.gz	QVMXMGKQJVGFLB-UHFFFAOYSA-N	-1	0	303.322	0.411	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cnc3[nH]ccc3c2)c(=O)[n-]c1=O	ZINC001634307572	1171668808	/nfs/dbraw/zinc/66/88/08/1171668808.db2.gz	BITROBJBUIDHJK-UHFFFAOYSA-N	-1	0	310.273	0.287	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)c1	ZINC001635511016	1171706585	/nfs/dbraw/zinc/70/65/85/1171706585.db2.gz	RLIVMLPUDQLPJL-GFCCVEGCSA-N	-1	0	313.317	0.910	20	30		DCEDRM
C=CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1	ZINC001635641221	1171710016	/nfs/dbraw/zinc/71/00/16/1171710016.db2.gz	WRPABQFELUBAFE-UHFFFAOYSA-N	-1	0	312.347	0.401	20	30		DCEDRM
C#CCOCCN(C)C(=O)c1nc[n-]c(=O)c1Br	ZINC001637870129	1171780744	/nfs/dbraw/zinc/78/07/44/1171780744.db2.gz	FDGJPVDIUGVMBJ-UHFFFAOYSA-N	-1	0	314.139	0.667	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)nn1	ZINC001641601959	1171921796	/nfs/dbraw/zinc/92/17/96/1171921796.db2.gz	LOOBLZHTDMPIAH-GFCCVEGCSA-N	-1	0	310.321	0.497	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)c1	ZINC001642628636	1171952544	/nfs/dbraw/zinc/95/25/44/1171952544.db2.gz	QHJTUIQAOFSUJJ-LLVKDONJSA-N	-1	0	311.301	0.744	20	30		DCEDRM
N#Cc1c2ccccc2[nH]c1C(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC001643192464	1171969222	/nfs/dbraw/zinc/96/92/22/1171969222.db2.gz	GDELBGMJGZXULD-GFCCVEGCSA-N	-1	0	323.316	0.766	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)nn1	ZINC001645346825	1172040020	/nfs/dbraw/zinc/04/00/20/1172040020.db2.gz	ZEGNVIJIECVBQJ-NSHDSACASA-N	-1	0	316.369	0.462	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@@]2(O)CCO[C@H]2C)cc1C#N	ZINC001645742001	1172121516	/nfs/dbraw/zinc/12/15/16/1172121516.db2.gz	QPAPYYRXMFMKQG-RTHLEPHNSA-N	-1	0	323.374	0.650	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)C2CCOCC2)ccc1C#N	ZINC001645942879	1172190510	/nfs/dbraw/zinc/19/05/10/1172190510.db2.gz	QUZHEAHLHDCKNP-UHFFFAOYSA-N	-1	0	324.358	0.805	20	30		DCEDRM
COCc1cccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001646628800	1172447223	/nfs/dbraw/zinc/44/72/23/1172447223.db2.gz	FUDXATCCYAXDMX-UHFFFAOYSA-N	-1	0	300.318	0.704	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCc2ccncn2)c1	ZINC001647206202	1172741593	/nfs/dbraw/zinc/74/15/93/1172741593.db2.gz	ZUGHLTHDUIEVAB-UHFFFAOYSA-N	-1	0	317.330	0.181	20	30		DCEDRM
COc1c(C)cccc1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001647631770	1173008004	/nfs/dbraw/zinc/00/80/04/1173008004.db2.gz	ZRBPCDBDLHWNOV-UHFFFAOYSA-N	-1	0	300.318	0.874	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)c1nnc(-c2cc(=O)[nH][n-]2)n1C	ZINC001647680991	1173028424	/nfs/dbraw/zinc/02/84/24/1173028424.db2.gz	ZNTOQAUYTNKUTB-UHFFFAOYSA-N	-1	0	309.333	0.547	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	ZINC001649832668	1173250097	/nfs/dbraw/zinc/25/00/97/1173250097.db2.gz	NTBAVXCQCVHNFE-MVWJERBFSA-N	-1	0	318.354	0.978	20	30		DCEDRM
N#Cc1ccsc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001650020279	1173381160	/nfs/dbraw/zinc/38/11/60/1173381160.db2.gz	YHFWRYBZNHHJDU-UHFFFAOYSA-N	-1	0	304.335	0.257	20	30		DCEDRM
CC#CCCCC(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001665659447	1174547390	/nfs/dbraw/zinc/54/73/90/1174547390.db2.gz	LVGIAKSEYUFFCH-LBPRGKRZSA-N	-1	0	305.382	0.737	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@]2(C)CCN(CC#N)C2)cc1=O	ZINC001671654240	1175027843	/nfs/dbraw/zinc/02/78/43/1175027843.db2.gz	PLFSUOMIGVAWJO-MRXNPFEDSA-N	-1	0	319.409	0.479	20	30		DCEDRM
C=CCCCC(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001674319127	1175269629	/nfs/dbraw/zinc/26/96/29/1175269629.db2.gz	HMPJKVBNUWSFFI-UHFFFAOYSA-N	-1	0	323.397	0.310	20	30		DCEDRM
C[C@@H](CCCNCC#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001675985824	1175409766	/nfs/dbraw/zinc/40/97/66/1175409766.db2.gz	HXWJKEQQIYJXOD-JTQLQIEISA-N	-1	0	302.338	0.034	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[C@@H]2C(F)F)n1	ZINC001692131111	1177422544	/nfs/dbraw/zinc/42/25/44/1177422544.db2.gz	ZKPBRJYZJCXTBE-UWVGGRQHSA-N	-1	0	310.304	0.422	20	30		DCEDRM
CC1(NC(=O)CSCC#N)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001699767750	1178281113	/nfs/dbraw/zinc/28/11/13/1178281113.db2.gz	GMJNDEUQHVZTNM-UHFFFAOYSA-N	-1	0	324.410	0.238	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1C[C@@H](NCC#N)C1	ZINC001707074133	1180410842	/nfs/dbraw/zinc/41/08/42/1180410842.db2.gz	MKHXTGBVHDYKSX-DTORHVGOSA-N	-1	0	320.315	0.451	20	30		DCEDRM
CCN(CC#N)CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001713497407	1180870904	/nfs/dbraw/zinc/87/09/04/1180870904.db2.gz	LRVCKADMCYTGRU-UHFFFAOYSA-N	-1	0	308.304	0.405	20	30		DCEDRM
C=CCOCCCC(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001713995969	1181191146	/nfs/dbraw/zinc/19/11/46/1181191146.db2.gz	JOWDIIZFIKLIHF-GFCCVEGCSA-N	-1	0	323.397	0.526	20	30		DCEDRM
C#CCCCC(=O)NC1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001718066105	1183126452	/nfs/dbraw/zinc/12/64/52/1183126452.db2.gz	JNVORAMUEQHCGT-UHFFFAOYSA-N	-1	0	318.377	0.852	20	30		DCEDRM
C=CCCC(=O)NCCC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001726305385	1185147380	/nfs/dbraw/zinc/14/73/80/1185147380.db2.gz	WIVGGCIHJGKQAR-SECBINFHSA-N	-1	0	323.353	0.264	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001738877301	1187681670	/nfs/dbraw/zinc/68/16/70/1187681670.db2.gz	WPCMICBUAGZEQR-JTQLQIEISA-N	-1	0	324.381	0.233	20	30		DCEDRM
N#CCc1ccnc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC001771623160	1188361251	/nfs/dbraw/zinc/36/12/51/1188361251.db2.gz	KVFGZTXNAMVWPZ-UHFFFAOYSA-N	-1	0	309.289	0.171	20	30		DCEDRM
CN(CC(C)(C)CNCC#N)C(=O)c1c[n-]n2c1nccc2=O	ZINC001755286458	1189069875	/nfs/dbraw/zinc/06/98/75/1189069875.db2.gz	WPZUKJONQZTXFF-UHFFFAOYSA-N	-1	0	316.365	0.234	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1	ZINC001771623652	1190453383	/nfs/dbraw/zinc/45/33/83/1190453383.db2.gz	HHYYASXAQADMBY-UHFFFAOYSA-N	-1	0	306.347	0.742	20	30		DCEDRM
COCCN(Cc1ccccc1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001772116179	1190610775	/nfs/dbraw/zinc/61/07/75/1190610775.db2.gz	SKBZYFACXZANPH-UHFFFAOYSA-N	-1	0	314.345	0.598	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCN(C)c2cnc(C#N)cn2)c1[O-]	ZINC001105361740	747120747	/nfs/dbraw/zinc/12/07/47/747120747.db2.gz	JRJJQLBYDNSZAJ-UHFFFAOYSA-N	-1	0	315.337	0.294	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H](C)CNc2ccncc2C#N)c1[O-]	ZINC001104530886	747688374	/nfs/dbraw/zinc/68/83/74/747688374.db2.gz	OKZXVPUPXICJOA-SECBINFHSA-N	-1	0	314.349	0.685	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNc2cncc(C#N)n2)c1[O-]	ZINC001104532875	747691933	/nfs/dbraw/zinc/69/19/33/747691933.db2.gz	ZNGMVZQONNDTNI-QMMMGPOBSA-N	-1	0	315.337	0.658	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(O)cc(O)c1	ZINC001225367084	748642994	/nfs/dbraw/zinc/64/29/94/748642994.db2.gz	IPFBRGCGKXSXIN-GFCCVEGCSA-N	-1	0	304.320	0.936	20	30		DCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N(CCOC)CCC(=O)[O-])C1	ZINC000904944307	750431624	/nfs/dbraw/zinc/43/16/24/750431624.db2.gz	WKTUQFUTOOSJHU-LBPRGKRZSA-N	-1	0	312.366	0.361	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCNc2ccncc2C#N)c1[O-]	ZINC001106283095	751084521	/nfs/dbraw/zinc/08/45/21/751084521.db2.gz	IFBYMJKTEBDANV-VIFPVBQESA-N	-1	0	314.349	0.733	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001107976930	752685699	/nfs/dbraw/zinc/68/56/99/752685699.db2.gz	XNMZEGMPYILBHQ-HNNXBMFYSA-N	-1	0	323.397	0.574	20	30		DCEDRM
C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001046247239	753585554	/nfs/dbraw/zinc/58/55/54/753585554.db2.gz	CNQOPMAQQUHEFV-AWEZNQCLSA-N	-1	0	315.337	0.104	20	30		DCEDRM
C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001046253389	753589590	/nfs/dbraw/zinc/58/95/90/753589590.db2.gz	XKJMYOGMWKHMHW-CQSZACIVSA-N	-1	0	315.337	0.104	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(NC(=O)[C@H](C)C#N)CCC2)c1[O-]	ZINC001062806596	754984102	/nfs/dbraw/zinc/98/41/02/754984102.db2.gz	NJXQFEPVGZIHJF-MRVPVSSYSA-N	-1	0	305.338	0.352	20	30		DCEDRM
C#CCCCC(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CCC1	ZINC001062806769	754984157	/nfs/dbraw/zinc/98/41/57/754984157.db2.gz	SGBGVHLGWMOIPZ-UHFFFAOYSA-N	-1	0	318.377	0.996	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC001119643697	758074809	/nfs/dbraw/zinc/07/48/09/758074809.db2.gz	DASTXWKZSDRBRS-ZDUSSCGKSA-N	-1	0	308.378	0.472	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[O-])ccc2O)CCO1	ZINC001148925975	768061961	/nfs/dbraw/zinc/06/19/61/768061961.db2.gz	GEGUSKQWCYFETC-MRVPVSSYSA-N	-1	0	312.303	0.003	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCNc2ccc(C#N)nn2)c1[O-]	ZINC001101555424	764152910	/nfs/dbraw/zinc/15/29/10/764152910.db2.gz	RCGBTMXNHPJXIB-UHFFFAOYSA-N	-1	0	301.310	0.270	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001132019751	764200089	/nfs/dbraw/zinc/20/00/89/764200089.db2.gz	ABTRTGHLISUZQS-VXGBXAGGSA-N	-1	0	305.382	0.639	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)CNc2nccnc2C#N)c1[O-]	ZINC001103948964	765208270	/nfs/dbraw/zinc/20/82/70/765208270.db2.gz	CLWQVEXSSRCIKB-QMMMGPOBSA-N	-1	0	315.337	0.563	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(Nc3nccnc3C#N)CC2)c1[O-]	ZINC001110108154	766581900	/nfs/dbraw/zinc/58/19/00/766581900.db2.gz	JBSFKARJNZPXIB-UHFFFAOYSA-N	-1	0	313.321	0.460	20	30		DCEDRM
C=CCc1ccc(OCC(=O)N[C@H](CO)C(=O)[O-])c(OC)c1	ZINC001119654466	766761930	/nfs/dbraw/zinc/76/19/30/766761930.db2.gz	UIOFFKPVIJAHAY-LLVKDONJSA-N	-1	0	309.318	0.364	20	30		DCEDRM
C[C@@H](CN(C)C(=O)c1cnc[nH]c1=O)Nc1ccc(C#N)nn1	ZINC001120253180	766948716	/nfs/dbraw/zinc/94/87/16/766948716.db2.gz	PRKKJCLHUSPNQT-VIFPVBQESA-N	-1	0	313.321	0.416	20	30		DCEDRM
C=CCN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@H](C)COC	ZINC001147131935	767664798	/nfs/dbraw/zinc/66/47/98/767664798.db2.gz	KSBCPIVYMLKLSG-LLVKDONJSA-N	-1	0	320.349	0.260	20	30		DCEDRM
COCC#CC[N@@H+]1CCC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1	ZINC001147346686	767716121	/nfs/dbraw/zinc/71/61/21/767716121.db2.gz	XTVOLFZPBLYQGT-UHFFFAOYSA-N	-1	0	318.377	0.221	20	30		DCEDRM
N#Cc1cc(NC(=O)c2cc3n(n2)CCNC3=O)c([O-])cc1F	ZINC001147548174	767772382	/nfs/dbraw/zinc/77/23/82/767772382.db2.gz	PQWGSRJDYYXOPW-UHFFFAOYSA-N	-1	0	315.264	0.595	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@H]2CC2(Cl)Cl)c(=O)[n-]c1=O	ZINC001141504205	768581136	/nfs/dbraw/zinc/58/11/36/768581136.db2.gz	QRPSFDQPDRLDAS-SSDOTTSWSA-N	-1	0	317.132	0.131	20	30		DCEDRM
CCc1ccc([C@H](C#N)NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1	ZINC001141621282	768586154	/nfs/dbraw/zinc/58/61/54/768586154.db2.gz	ZTJKVBCBXIHRNB-NSHDSACASA-N	-1	0	301.306	0.633	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)CCC#N)cc1	ZINC001143201026	768694606	/nfs/dbraw/zinc/69/46/06/768694606.db2.gz	KDXNHXKBDVMPGQ-UHFFFAOYSA-N	-1	0	309.347	0.547	20	30		DCEDRM
CCOc1nc(OC(=O)[C@H](O)CCC(=O)[O-])c(C#N)s1	ZINC001231089734	769169996	/nfs/dbraw/zinc/16/99/96/769169996.db2.gz	XZDPFTCIUFJYGS-ZCFIWIBFSA-N	-1	0	300.292	0.545	20	30		DCEDRM
C=CCOCCN1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001233633546	769415239	/nfs/dbraw/zinc/41/52/39/769415239.db2.gz	BHOCQFUVKBEQLA-LBPRGKRZSA-N	-1	0	308.382	0.773	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2sc(C(=O)[O-])c3c2OCCO3)CCO1	ZINC001152703584	769625636	/nfs/dbraw/zinc/62/56/36/769625636.db2.gz	CYOLEMYPWBIBKA-SSDOTTSWSA-N	-1	0	324.314	0.582	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nnccc1OC	ZINC001234416467	769651469	/nfs/dbraw/zinc/65/14/69/769651469.db2.gz	NQEXLIRRKJKYMT-SECBINFHSA-N	-1	0	304.324	0.323	20	30		DCEDRM
N#Cc1ccc(O[C@H]2CCCN(C(=O)Cc3nnn[n-]3)C2)cc1	ZINC001176842795	770189071	/nfs/dbraw/zinc/18/90/71/770189071.db2.gz	SJLOPZCPIPPPIN-ZDUSSCGKSA-N	-1	0	312.333	0.684	20	30		DCEDRM
N#Cc1cnc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c(Cl)c1	ZINC001182832405	771562715	/nfs/dbraw/zinc/56/27/15/771562715.db2.gz	KEVBPFQUPBOWBY-UHFFFAOYSA-N	-1	0	306.713	0.793	20	30		DCEDRM
COC(=O)CN1CCN(C(=O)CCC(=O)C2=CC=C[CH]2)CC1	ZINC001184243710	771762769	/nfs/dbraw/zinc/76/27/69/771762769.db2.gz	LVXVPKMTRGMWLU-UHFFFAOYSA-N	-1	0	305.354	0.353	20	30		DCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NCC(=O)NCC(F)(F)F	ZINC001184246930	771763172	/nfs/dbraw/zinc/76/31/72/771763172.db2.gz	BTIGZVWQWDWYHS-UHFFFAOYSA-N	-1	0	303.260	0.831	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)Oc2ccc(C#N)cc2)[n-]n1	ZINC001184789797	771827381	/nfs/dbraw/zinc/82/73/81/771827381.db2.gz	XDRYIYAFUGTONH-UHFFFAOYSA-N	-1	0	307.287	0.836	20	30		DCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cn1	ZINC001186896025	772102443	/nfs/dbraw/zinc/10/24/43/772102443.db2.gz	IRVITHOROFWSMN-UHFFFAOYSA-N	-1	0	315.314	0.644	20	30		DCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1C#N	ZINC001186899600	772102822	/nfs/dbraw/zinc/10/28/22/772102822.db2.gz	TZRAZAKFNMPTNB-UHFFFAOYSA-N	-1	0	317.330	0.587	20	30		DCEDRM
N#C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(N)=O	ZINC001187084415	772134773	/nfs/dbraw/zinc/13/47/73/772134773.db2.gz	IESHRWRXIJVLKK-SECBINFHSA-N	-1	0	322.173	0.790	20	30		DCEDRM
N#Cc1cnn(C2CCOCC2)c1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187731311	772216032	/nfs/dbraw/zinc/21/60/32/772216032.db2.gz	YQDOUIXMCJSAQK-UHFFFAOYSA-N	-1	0	322.350	0.630	20	30		DCEDRM
N#Cc1nc(Cl)c([N-]S(=O)(=O)c2c[nH]cn2)nc1C#N	ZINC001187730532	772216069	/nfs/dbraw/zinc/21/60/69/772216069.db2.gz	JNHAHNWIBKTUOC-UHFFFAOYSA-N	-1	0	309.698	0.397	20	30		DCEDRM
Cc1cnc(N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])cn1	ZINC001163066509	772452545	/nfs/dbraw/zinc/45/25/45/772452545.db2.gz	TXZOLVHYLWZWRT-SNVBAGLBSA-N	-1	0	322.327	0.305	20	30		DCEDRM
C#CCCCCC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001189743409	772523624	/nfs/dbraw/zinc/52/36/24/772523624.db2.gz	CIPUZBYAYSHIFJ-GFCCVEGCSA-N	-1	0	305.382	0.737	20	30		DCEDRM
N#C[C@H](NC(=O)c1cc(Br)ccc1[S-])C(N)=O	ZINC001189968948	772564695	/nfs/dbraw/zinc/56/46/95/772564695.db2.gz	DSWXCYQKJSNQLV-ZETCQYMHSA-N	-1	0	314.164	0.845	20	30		DCEDRM
N#Cc1ccnc(NCC[N-]C(=O)C(F)(F)F)c1[N+](=O)[O-]	ZINC001164244409	772630531	/nfs/dbraw/zinc/63/05/31/772630531.db2.gz	IJKDZTPGNOSESQ-UHFFFAOYSA-N	-1	0	303.200	0.952	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnc(C(N)=O)cn2)c1	ZINC001190617557	772645940	/nfs/dbraw/zinc/64/59/40/772645940.db2.gz	MVXVHPUEWRCSII-UHFFFAOYSA-N	-1	0	321.293	0.387	20	30		DCEDRM
COC(=O)c1ccc(C(=NS(=O)(=O)c2ncc[n-]2)NO)cc1	ZINC001190739583	772671564	/nfs/dbraw/zinc/67/15/64/772671564.db2.gz	PPEWKZIMBPGYOI-UHFFFAOYSA-N	-1	0	324.318	0.311	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2nc(Br)ccc2[O-])CCO1	ZINC001191741978	772819385	/nfs/dbraw/zinc/81/93/85/772819385.db2.gz	IKQJRDBOCIPEEM-SSDOTTSWSA-N	-1	0	312.123	0.914	20	30		DCEDRM
C#C[C@@H]1CCCN(c2ccc(S(=O)(=O)[N-]C(C)=O)cn2)C1	ZINC001167006930	772898745	/nfs/dbraw/zinc/89/87/45/772898745.db2.gz	HUNWKIKTASTCMM-GFCCVEGCSA-N	-1	0	307.375	0.756	20	30		DCEDRM
N#CC1(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCC1	ZINC001192678279	772947198	/nfs/dbraw/zinc/94/71/98/772947198.db2.gz	VVJLLCFOASLGQV-UHFFFAOYSA-N	-1	0	310.331	0.875	20	30		DCEDRM
CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CC#N)cc1	ZINC001192928571	772982120	/nfs/dbraw/zinc/98/21/20/772982120.db2.gz	DFMAHLIUQJGXMG-UHFFFAOYSA-N	-1	0	303.365	0.202	20	30		DCEDRM
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cn(C)nc1C#N	ZINC001193024743	772996809	/nfs/dbraw/zinc/99/68/09/772996809.db2.gz	RWOLYOGLFVZYTP-UHFFFAOYSA-N	-1	0	300.340	0.375	20	30		DCEDRM
CSc1nnc([N-]S(=O)(=O)[C@H](C)C#N)c(SC)n1	ZINC001193105716	773006144	/nfs/dbraw/zinc/00/61/44/773006144.db2.gz	BWLXHHAYRUAIRF-RXMQYKEDSA-N	-1	0	305.410	0.969	20	30		DCEDRM
CCOC(=O)/C=C(\[N-]S(=O)(=O)[C@H](C)C#N)C(F)(F)F	ZINC001193159857	773019918	/nfs/dbraw/zinc/01/99/18/773019918.db2.gz	QQVBFAJZKJNTMK-CDXJMXTPSA-N	-1	0	300.258	0.827	20	30		DCEDRM
COc1ccc(C#N)c(S(=O)(=O)NCc2cc(=O)[n-]o2)c1	ZINC001193698051	773105665	/nfs/dbraw/zinc/10/56/65/773105665.db2.gz	OQOKWPZIUZBMTP-UHFFFAOYSA-N	-1	0	309.303	0.739	20	30		DCEDRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N1CCNC[C@@H]1C#N	ZINC001194269630	773171109	/nfs/dbraw/zinc/17/11/09/773171109.db2.gz	WTYNHPPEQKAUQJ-ZDUSSCGKSA-N	-1	0	311.345	0.824	20	30		DCEDRM
C#CCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CCC1	ZINC001207510639	773222185	/nfs/dbraw/zinc/22/21/85/773222185.db2.gz	TXKPOVWDDROEHS-VXGBXAGGSA-N	-1	0	317.393	0.640	20	30		DCEDRM
N#Cc1ccc(C(=O)NC2CC3(C2)CS(=O)(=O)C3)c([O-])c1	ZINC001195764858	773470287	/nfs/dbraw/zinc/47/02/87/773470287.db2.gz	SIGXAXQPILGDRR-UHFFFAOYSA-N	-1	0	306.343	0.571	20	30		DCEDRM
N#Cc1nc(N)c(NC(=O)c2cc(Cl)ncc2[O-])nc1C#N	ZINC001196387806	773589294	/nfs/dbraw/zinc/58/92/94/773589294.db2.gz	VCNXNLGXKMMSLH-UHFFFAOYSA-N	-1	0	315.680	0.808	20	30		DCEDRM
COCCCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1	ZINC000048510874	773843999	/nfs/dbraw/zinc/84/39/99/773843999.db2.gz	KGUPMQRQAULETR-UHFFFAOYSA-N	-1	0	300.336	0.857	20	30		DCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2cnc(C)n2C)c(C#C)n1	ZINC001198355914	773915332	/nfs/dbraw/zinc/91/53/32/773915332.db2.gz	JOEUFIZVOXZZFG-UHFFFAOYSA-N	-1	0	301.331	0.282	20	30		DCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1nc(C)c(C#N)cc1C#N	ZINC001201905423	774575500	/nfs/dbraw/zinc/57/55/00/774575500.db2.gz	UNNTWBRPEGKZKJ-UHFFFAOYSA-N	-1	0	322.346	0.828	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114341045	774804737	/nfs/dbraw/zinc/80/47/37/774804737.db2.gz	RZBYSRHDDXUEBI-IWIIMEHWSA-N	-1	0	305.382	0.659	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCC1OCCCO1	ZINC001224727328	775599787	/nfs/dbraw/zinc/59/97/87/775599787.db2.gz	AQUKCUFNLBMWMO-LLVKDONJSA-N	-1	0	310.368	0.615	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C)cc(=O)[nH]1	ZINC001225706973	775709790	/nfs/dbraw/zinc/70/97/90/775709790.db2.gz	RWLXOINPQVJFMO-SNVBAGLBSA-N	-1	0	303.336	0.933	20	30		DCEDRM
C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1nncc(=O)[n-]1	ZINC001226168253	775775570	/nfs/dbraw/zinc/77/55/70/775775570.db2.gz	RQYYZSZLDCAIEL-SECBINFHSA-N	-1	0	309.278	0.173	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc([N+](=O)[O-])nc1	ZINC001226710543	775866227	/nfs/dbraw/zinc/86/62/27/775866227.db2.gz	RWPBSXWHFDCMJQ-JTQLQIEISA-N	-1	0	318.307	0.828	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114722267	776072331	/nfs/dbraw/zinc/07/23/31/776072331.db2.gz	FFIMTSIDGWEPMU-DCQANWLSSA-N	-1	0	305.382	0.659	20	30		DCEDRM
N#Cc1ccc(=O)[n-]c1OC[C@@H]1COCCOCCOCCO1	ZINC001228903271	776136895	/nfs/dbraw/zinc/13/68/95/776136895.db2.gz	WIVNYDGUMWUBCZ-ZDUSSCGKSA-N	-1	0	324.333	0.486	20	30		DCEDRM
C=CC1(NS(=O)(=O)[C@H]2CCC[C@H]2C(=O)[O-])CCOCC1	ZINC001465118205	804180651	/nfs/dbraw/zinc/18/06/51/804180651.db2.gz	WYAXVQYBRAIFOO-MNOVXSKESA-N	-1	0	303.380	0.894	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC001601069175	1168580729	/nfs/dbraw/zinc/58/07/29/1168580729.db2.gz	ANGIKGUZDJKGNM-RTCCRHLQSA-N	-1	0	314.363	0.169	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(C)c(S(C)(=O)=O)c1)C(=O)[O-]	ZINC001602693445	1169161996	/nfs/dbraw/zinc/16/19/96/1169161996.db2.gz	UOXLCITUHOOLCH-LLVKDONJSA-N	-1	0	309.343	0.605	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001602744526	1169178071	/nfs/dbraw/zinc/17/80/71/1169178071.db2.gz	DAHHQLLWFLOGGL-NEPJUHHUSA-N	-1	0	308.378	0.979	20	30		DCEDRM
N#CCNC[C@H]1CCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001267969196	939715794	/nfs/dbraw/zinc/71/57/94/939715794.db2.gz	GWYPYCYPDZSOCD-SECBINFHSA-N	-1	0	301.306	0.646	20	30		DCEDRM
CC#CCCCC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001270614831	940936311	/nfs/dbraw/zinc/93/63/11/940936311.db2.gz	IUTOANSGALKPJJ-OAHLLOKOSA-N	-1	0	305.382	0.785	20	30		DCEDRM
Cc1cc(NC(=O)c2cc(C(=O)[O-])nn2C)n(CCC#N)n1	ZINC001600274428	970791914	/nfs/dbraw/zinc/79/19/14/970791914.db2.gz	IWOZYRDHKGAXQW-UHFFFAOYSA-N	-1	0	302.294	0.789	20	30		DCEDRM
C=C(C)CN1CC2(CN(C(=O)c3ccncc3[O-])C2)OCC1=O	ZINC001271401925	941367670	/nfs/dbraw/zinc/36/76/70/941367670.db2.gz	JFIOXNFPMVIJIO-UHFFFAOYSA-N	-1	0	317.345	0.417	20	30		DCEDRM
CN1C[C@@]2(F)CN(C(=O)c3ccc(C#N)cc3[O-])C[C@@]2(F)C1=O	ZINC001271837441	941462619	/nfs/dbraw/zinc/46/26/19/941462619.db2.gz	FLQVNVFOULQEHW-HUUCEWRRSA-N	-1	0	321.283	0.608	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000322306826	970870167	/nfs/dbraw/zinc/87/01/67/970870167.db2.gz	JTJCIBPHYGEHTO-ZDUSSCGKSA-N	-1	0	317.345	0.510	20	30		DCEDRM
COC(=O)c1ccc(Cn2c(=O)[n-]cc(C#N)c2=O)c(F)c1	ZINC001412919595	942139915	/nfs/dbraw/zinc/13/99/15/942139915.db2.gz	DJYZQRCCBITMQL-UHFFFAOYSA-N	-1	0	303.249	0.382	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)n1	ZINC001601122559	970937243	/nfs/dbraw/zinc/93/72/43/970937243.db2.gz	QATPVUPHFDMTBZ-UHFFFAOYSA-N	-1	0	316.317	0.651	20	30		DCEDRM
N#CCOc1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1	ZINC001611291417	970978932	/nfs/dbraw/zinc/97/89/32/970978932.db2.gz	XVYCNSGYCUQYMN-ZDUSSCGKSA-N	-1	0	324.358	0.273	20	30		DCEDRM
C[C@@H](CCCNCC#N)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001277336110	944769631	/nfs/dbraw/zinc/76/96/31/944769631.db2.gz	YDFAOCQDEDHATD-VIFPVBQESA-N	-1	0	303.322	0.940	20	30		DCEDRM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@H](C#N)C1CC1	ZINC001251801701	945784768	/nfs/dbraw/zinc/78/47/68/945784768.db2.gz	QZRXRCTUQVBXKV-GFCCVEGCSA-N	-1	0	324.344	0.909	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@H](C)C[NH2+]Cc1cc(=O)n2[n-]ccc2n1	ZINC001321616523	946399431	/nfs/dbraw/zinc/39/94/31/946399431.db2.gz	CMDVOQIYSRDQMD-LLVKDONJSA-N	-1	0	317.393	0.829	20	30		DCEDRM
Cc1cc(C)n2c(C=Nn3c(=O)cn[nH]c3=S)cnc2n1	ZINC001255889198	946559108	/nfs/dbraw/zinc/55/91/08/946559108.db2.gz	CEFCXYATPFCPQZ-UHFFFAOYSA-N	-1	0	301.335	0.469	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001602675479	971249752	/nfs/dbraw/zinc/24/97/52/971249752.db2.gz	WMHYJRHGBKDLGU-ZDUSSCGKSA-N	-1	0	318.329	0.143	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC1(CC(=O)NC)CCCCC1	ZINC001602683798	971275505	/nfs/dbraw/zinc/27/55/05/971275505.db2.gz	JWKGBMHDMDESSB-UHFFFAOYSA-N	-1	0	323.393	0.802	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cnccc2C(N)=O)cc1	ZINC001258039221	946793293	/nfs/dbraw/zinc/79/32/93/946793293.db2.gz	MQGZCMGPABZSFU-UHFFFAOYSA-N	-1	0	302.315	0.853	20	30		DCEDRM
Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1ccccc1C#N	ZINC001258201809	946810511	/nfs/dbraw/zinc/81/05/11/946810511.db2.gz	LPDJUBKWDJWEGB-UHFFFAOYSA-N	-1	0	305.319	0.191	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc([S@@](C)=O)cc1	ZINC001602685676	971281963	/nfs/dbraw/zinc/28/19/63/971281963.db2.gz	DIAMYLFYLUZHCI-OAQYLSRUSA-N	-1	0	308.359	0.653	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1nc2ncccc2cc1C#N	ZINC001259018060	946890875	/nfs/dbraw/zinc/89/08/75/946890875.db2.gz	RCBIEYGZMCYDQH-UHFFFAOYSA-N	-1	0	306.303	0.416	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(C#N)cc1C(=O)OC	ZINC001259026278	946900535	/nfs/dbraw/zinc/90/05/35/946900535.db2.gz	NFXLOMYMKHROPH-UHFFFAOYSA-N	-1	0	312.303	0.260	20	30		DCEDRM
Cn1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(C#N)n1	ZINC001259378363	946951968	/nfs/dbraw/zinc/95/19/68/946951968.db2.gz	XEAZQRPKQTZILX-UHFFFAOYSA-N	-1	0	319.302	0.939	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)[N-]c2ncccc2C(N)=O)ccc1F	ZINC001259412786	946955438	/nfs/dbraw/zinc/95/54/38/946955438.db2.gz	SIHQCNXLXYTBOR-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2cnn(CC)c2)c(C#C)n1	ZINC001259832747	946994778	/nfs/dbraw/zinc/99/47/78/946994778.db2.gz	VUJXLWKHLXOPFI-UHFFFAOYSA-N	-1	0	301.331	0.456	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-][C@H](CO)C(F)(F)F)cc1	ZINC001260047733	947053100	/nfs/dbraw/zinc/05/31/00/947053100.db2.gz	OJGSXTBYJMCTTN-SNVBAGLBSA-N	-1	0	308.281	0.901	20	30		DCEDRM
CN1CCC(C#N)(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC001260232658	947089376	/nfs/dbraw/zinc/08/93/76/947089376.db2.gz	ZTDXZRRDIKXHFZ-UHFFFAOYSA-N	-1	0	323.374	0.651	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)[N-]c2cn(C)nc2C#N)c1	ZINC001260839380	947151834	/nfs/dbraw/zinc/15/18/34/947151834.db2.gz	WMAQCHQFJSMJPR-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCCS(=O)(=O)C2)CC1	ZINC001261885368	947472415	/nfs/dbraw/zinc/47/24/15/947472415.db2.gz	CXZFWOCQXDVOQP-SNVBAGLBSA-N	-1	0	321.420	0.366	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1cccnc1N1CCOCC1)C(=O)[O-]	ZINC001262177552	947592296	/nfs/dbraw/zinc/59/22/96/947592296.db2.gz	YNNSISBHCIIQRQ-GFCCVEGCSA-N	-1	0	305.334	0.677	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H](C)O[C@@H](CC)C1	ZINC001262969996	947792128	/nfs/dbraw/zinc/79/21/28/947792128.db2.gz	XABKIBSUQXORLO-MNOVXSKESA-N	-1	0	318.381	0.692	20	30		DCEDRM
C[C@@H](C#N)CN(C)Cc1cc(=O)n2[n-]cc(-c3nn[nH]n3)c2n1	ZINC001570920534	948601369	/nfs/dbraw/zinc/60/13/69/948601369.db2.gz	RZKRIYQLFDDKBG-QMMMGPOBSA-N	-1	0	313.325	0.206	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@H]1CCCS(=O)(=O)C1	ZINC001602781720	971525475	/nfs/dbraw/zinc/52/54/75/971525475.db2.gz	GGWOQPJVQFVALF-BXKDBHETSA-N	-1	0	303.336	0.359	20	30		DCEDRM
CC(C)c1ocnc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001574448196	949179101	/nfs/dbraw/zinc/17/91/01/949179101.db2.gz	FOIGQELDXFEZBI-UHFFFAOYSA-N	-1	0	313.281	0.825	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCC[C@]13CCOC3=O)cc2=O	ZINC001364393355	949179793	/nfs/dbraw/zinc/17/97/93/949179793.db2.gz	LTLMAFIHNXBFIP-OAHLLOKOSA-N	-1	0	313.317	0.588	20	30		DCEDRM
CC1(C)CCC[C@@H](CS(=O)(=O)N(CC#N)CC(=O)[O-])O1	ZINC001604527436	1169610951	/nfs/dbraw/zinc/61/09/51/1169610951.db2.gz	NOKNMJXWWVMVSD-JTQLQIEISA-N	-1	0	304.368	0.574	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CCOc2ccc3c(c2)OCO3)c1=O	ZINC001364615584	949638381	/nfs/dbraw/zinc/63/83/81/949638381.db2.gz	KEPSQQWWVWMSPR-UHFFFAOYSA-N	-1	0	301.258	0.216	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(CC#N)n2)on1	ZINC001364957883	950258130	/nfs/dbraw/zinc/25/81/30/950258130.db2.gz	YHAXIRDHWRMPPI-UHFFFAOYSA-N	-1	0	322.302	0.723	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCc3ncccc32)c(=O)[n-]c1=O	ZINC001365003433	950335443	/nfs/dbraw/zinc/33/54/43/950335443.db2.gz	KECXHZYPASXNDH-UHFFFAOYSA-N	-1	0	311.301	0.195	20	30		DCEDRM
COC(=O)c1oc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1C	ZINC001365236096	950785329	/nfs/dbraw/zinc/78/53/29/950785329.db2.gz	FNHYZSKOJYLBKT-UHFFFAOYSA-N	-1	0	318.289	0.245	20	30		DCEDRM
C[C@H]1CCC[C@@H]1CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365374855	951037961	/nfs/dbraw/zinc/03/79/61/951037961.db2.gz	IHRDSBVKBPVJGB-WDEREUQCSA-N	-1	0	319.365	0.556	20	30		DCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001331717828	951266977	/nfs/dbraw/zinc/26/69/77/951266977.db2.gz	SXXMWXDJQNRABE-UHFFFAOYSA-N	-1	0	302.312	0.490	20	30		DCEDRM
C=CCCC(=O)N[C@@H]1CN(C(=O)c2ncccc2O)C[C@H]1O	ZINC001281647582	951578110	/nfs/dbraw/zinc/57/81/10/951578110.db2.gz	DDXFFIPGFBVCKA-ZYHUDNBSSA-N	-1	0	305.334	0.055	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1nc(CC)cs1	ZINC001332604838	951718797	/nfs/dbraw/zinc/71/87/97/951718797.db2.gz	YJXOJNHHMBNBKW-UHFFFAOYSA-N	-1	0	304.418	0.877	20	30		DCEDRM
NC(=O)c1cn2c(n1)CN(C(=O)CCC(=O)C1=CC=C[CH]1)CC2	ZINC001274662469	951775942	/nfs/dbraw/zinc/77/59/42/951775942.db2.gz	YTSVJUZQXGYVJC-UHFFFAOYSA-N	-1	0	313.337	0.374	20	30		DCEDRM
O=C([O-])Cc1cccc(NC(=O)N[C@@H]2CCCN(O)C2=O)c1	ZINC001595132251	952041716	/nfs/dbraw/zinc/04/17/16/952041716.db2.gz	PCPYFKAFRCLBRD-LLVKDONJSA-N	-1	0	307.306	0.815	20	30		DCEDRM
O=C([O-])Cn1cccc(C(=O)OCC#Cc2ccccn2)c1=O	ZINC001595158565	952182457	/nfs/dbraw/zinc/18/24/57/952182457.db2.gz	PFLWNWWJQFWBQP-UHFFFAOYSA-N	-1	0	312.281	0.536	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1cnc(OC)s1)C(=O)OCC	ZINC001334298603	952282228	/nfs/dbraw/zinc/28/22/28/952282228.db2.gz	SZGHOQLLZWNMGM-QMMMGPOBSA-N	-1	0	320.392	0.938	20	30		DCEDRM
C#CCCCC(=O)N(C)[C@@H](C)CNC(=O)c1cnc[nH]c1=O	ZINC001334352656	952294019	/nfs/dbraw/zinc/29/40/19/952294019.db2.gz	FLGIXFLWWBGLNU-NSHDSACASA-N	-1	0	304.350	0.562	20	30		DCEDRM
C[C@H](CO)C1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001575179530	952413418	/nfs/dbraw/zinc/41/34/18/952413418.db2.gz	VUBBOEVUDQZQKI-SECBINFHSA-N	-1	0	314.353	0.373	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cccc(C3CC3)n2)c(=O)[n-]c1=O	ZINC001412167167	952672368	/nfs/dbraw/zinc/67/23/68/952672368.db2.gz	HIJHRDGHWFUXGM-UHFFFAOYSA-N	-1	0	311.301	0.732	20	30		DCEDRM
CCC(CC)(CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)OC	ZINC001412186488	952684944	/nfs/dbraw/zinc/68/49/44/952684944.db2.gz	INLDPUQJWBQJOT-UHFFFAOYSA-N	-1	0	308.338	0.142	20	30		DCEDRM
CSCC[C@H](NC(=O)CC1(C#N)CCOCC1)c1nnn[n-]1	ZINC001412365789	952760982	/nfs/dbraw/zinc/76/09/82/952760982.db2.gz	FVPHZWJGQXDLOW-JTQLQIEISA-N	-1	0	324.410	0.821	20	30		DCEDRM
CCN(Cc1ccoc1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412493248	952842777	/nfs/dbraw/zinc/84/27/77/952842777.db2.gz	STODAPDEPJYIOP-UHFFFAOYSA-N	-1	0	302.290	0.462	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)c(=O)[n-]c1=O	ZINC001412514288	952860094	/nfs/dbraw/zinc/86/00/94/952860094.db2.gz	KIXPAJXKWAOCMI-ZMLRMANQSA-N	-1	0	302.334	0.515	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@@H](C)CS(C)(=O)=O	ZINC001412542903	952883036	/nfs/dbraw/zinc/88/30/36/952883036.db2.gz	MFZWMAKGNYZRIZ-VIFPVBQESA-N	-1	0	311.363	0.472	20	30		DCEDRM
N#Cc1cccc(C(=O)N2C[C@H]3C[C@@H](CC(N)=O)O[C@H]3C2)c1[O-]	ZINC001276215880	953012481	/nfs/dbraw/zinc/01/24/81/953012481.db2.gz	QGZZEUAPHKQUAS-MDZLAQPJSA-N	-1	0	315.329	0.369	20	30		DCEDRM
CC1(C)C[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C(C)(C)O1	ZINC001412746923	953040059	/nfs/dbraw/zinc/04/00/59/953040059.db2.gz	OEHHAMMLEYCPNI-JTQLQIEISA-N	-1	0	320.349	0.283	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)/C=C/C3CCCC3)C2)c(=O)[n-]c1=O	ZINC001339349785	953088647	/nfs/dbraw/zinc/08/86/47/953088647.db2.gz	JMUMCCQMUNDSEK-AATRIKPKSA-N	-1	0	314.345	0.950	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(CC)C[C@H]1CCCO1	ZINC001339710352	953114136	/nfs/dbraw/zinc/11/41/36/953114136.db2.gz	PSNKLSZJBUCCCF-LLVKDONJSA-N	-1	0	318.381	0.693	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C[C@H]1CCCCO1	ZINC001339709055	953114431	/nfs/dbraw/zinc/11/44/31/953114431.db2.gz	DDFSFHMCFYAYGR-LLVKDONJSA-N	-1	0	318.381	0.693	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1scnc1C(N)=O	ZINC001258208522	953127899	/nfs/dbraw/zinc/12/78/99/953127899.db2.gz	SQOSNFNAJLRKNF-UHFFFAOYSA-N	-1	0	308.344	0.914	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H]2CCC[C@@H]2C1	ZINC001340427673	953168188	/nfs/dbraw/zinc/16/81/88/953168188.db2.gz	AWPQDCWGJJJIIU-PHIMTYICSA-N	-1	0	300.366	0.924	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1ncn(C)c1Cl)C(=O)OCC	ZINC001342434455	953289476	/nfs/dbraw/zinc/28/94/76/953289476.db2.gz	OGUHYERJSBBKDV-QMMMGPOBSA-N	-1	0	321.786	0.860	20	30		DCEDRM
CN(C)C(=O)Cn1cc(C([O-])=C(C#N)c2cccc(F)n2)nn1	ZINC001342559912	953295476	/nfs/dbraw/zinc/29/54/76/953295476.db2.gz	CZJKBCDQLLSOKO-SECBINFHSA-N	-1	0	316.296	0.390	20	30		DCEDRM
C#CCN(CC)c1nnc(-c2c[n-]n(CC)c2=O)n1CCOC	ZINC001342622915	953298842	/nfs/dbraw/zinc/29/88/42/953298842.db2.gz	NOUAJFTWUKKGAH-UHFFFAOYSA-N	-1	0	318.381	0.973	20	30		DCEDRM
C#CCCN(CCOC)c1nnc(-c2nn[nH]n2)n1CC(=C)C	ZINC001343299219	953335576	/nfs/dbraw/zinc/33/55/76/953335576.db2.gz	PNVRKPUDCXDNSV-UHFFFAOYSA-N	-1	0	316.369	0.510	20	30		DCEDRM
CCOc1ccc(C([O-])=C(C#N)C(=O)NCCCOC)cn1	ZINC001343355491	953340111	/nfs/dbraw/zinc/34/01/11/953340111.db2.gz	RCKSOZGJPMTWOL-GFCCVEGCSA-N	-1	0	305.334	0.955	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)CSCC#N	ZINC001281917309	953411467	/nfs/dbraw/zinc/41/14/67/953411467.db2.gz	SCZOAHJNCRHYHI-SNVBAGLBSA-N	-1	0	324.410	0.190	20	30		DCEDRM
C=CCCCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O	ZINC001281926829	953416461	/nfs/dbraw/zinc/41/64/61/953416461.db2.gz	XCTJZIWJCQIPMI-MNOVXSKESA-N	-1	0	322.365	0.082	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc(C(N)=O)cs1	ZINC001344586286	953500212	/nfs/dbraw/zinc/50/02/12/953500212.db2.gz	IGFKQYQWMJCEMS-QMMMGPOBSA-N	-1	0	302.315	0.786	20	30		DCEDRM
Cc1coc(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1C	ZINC001346088431	953799223	/nfs/dbraw/zinc/79/92/23/953799223.db2.gz	YAGFNTSQSBSAJN-LLVKDONJSA-N	-1	0	324.358	0.476	20	30		DCEDRM
C[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCS1(=O)=O	ZINC001589334877	953983858	/nfs/dbraw/zinc/98/38/58/953983858.db2.gz	BILQJFDSWXVJAQ-BXKDBHETSA-N	-1	0	302.352	0.027	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC[C@@H]1C(=O)[O-]	ZINC001589365126	954184028	/nfs/dbraw/zinc/18/40/28/954184028.db2.gz	GYIJVAKLCZBDEO-UTUOFQBUSA-N	-1	0	307.350	0.318	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)N(C)Cc1cc(C#N)cs1	ZINC001593728788	954303985	/nfs/dbraw/zinc/30/39/85/954303985.db2.gz	NXCNSKSSAITMDH-UHFFFAOYSA-N	-1	0	309.347	0.511	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)C[C@@H](C)N1CC#N	ZINC001589393033	954343537	/nfs/dbraw/zinc/34/35/37/954343537.db2.gz	VQQJZGSGQFIYAP-NXEZZACHSA-N	-1	0	305.338	0.177	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)C1(C(=O)[O-])CC=CC1	ZINC001593751451	954418074	/nfs/dbraw/zinc/41/80/74/954418074.db2.gz	ZUGGKZBQCFPXHO-UHFFFAOYSA-N	-1	0	317.349	0.676	20	30		DCEDRM
C#CCC1(C(=O)NCCCNC(=O)c2[nH]nc(C)c2[O-])CCC1	ZINC001349906417	954927204	/nfs/dbraw/zinc/92/72/04/954927204.db2.gz	WNVFAOMHLJKSRB-UHFFFAOYSA-N	-1	0	318.377	0.853	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1NCC	ZINC001350270393	955040311	/nfs/dbraw/zinc/04/03/11/955040311.db2.gz	ZIROHZJFNWHXMP-NSHDSACASA-N	-1	0	310.375	0.962	20	30		DCEDRM
C=CCN(Cc1ccccc1F)C(=O)C(=O)NCC(=O)[N-]OC	ZINC001351641702	955365488	/nfs/dbraw/zinc/36/54/88/955365488.db2.gz	GDTRIXZCVMYHSJ-UHFFFAOYSA-N	-1	0	323.324	0.134	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(CCF)CCOC	ZINC001351852821	955432223	/nfs/dbraw/zinc/43/22/23/955432223.db2.gz	XLOWCLLLRDICRN-UHFFFAOYSA-N	-1	0	310.333	0.110	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001463589346	1013144197	/nfs/dbraw/zinc/14/41/97/1013144197.db2.gz	LKUKNMCRCRXZOO-VIFPVBQESA-N	-1	0	314.319	0.353	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1cc(N2CCOCC2)ccn1)C(=O)[O-]	ZINC001354047345	956263197	/nfs/dbraw/zinc/26/31/97/956263197.db2.gz	NNXDRUUVAUPQNM-GFCCVEGCSA-N	-1	0	305.334	0.677	20	30		DCEDRM
N#Cc1ccc(NC(=O)c2cccn(CC(=O)[O-])c2=O)cc1C#N	ZINC001594622701	956292388	/nfs/dbraw/zinc/29/23/88/956292388.db2.gz	HBKBUYHXHZPNRN-UHFFFAOYSA-N	-1	0	322.280	0.929	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1	ZINC001594626422	956317874	/nfs/dbraw/zinc/31/78/74/956317874.db2.gz	ZLODQFVSLPJJIP-GFCCVEGCSA-N	-1	0	316.317	0.149	20	30		DCEDRM
N#Cc1cccc(N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)n1	ZINC001594628496	956332009	/nfs/dbraw/zinc/33/20/09/956332009.db2.gz	YDCSRHGDSIXNLA-UHFFFAOYSA-N	-1	0	300.318	0.467	20	30		DCEDRM
C[C@H](OC(=O)c1cnc(C(=O)[O-])cn1)C(=O)NC1(C#N)CCC1	ZINC001589161126	956416280	/nfs/dbraw/zinc/41/62/80/956416280.db2.gz	RWVJNBQGWQPYRU-QMMMGPOBSA-N	-1	0	318.289	0.283	20	30		DCEDRM
C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC001603120730	972205511	/nfs/dbraw/zinc/20/55/11/972205511.db2.gz	OTHSLFMGKFWISX-MRVPVSSYSA-N	-1	0	321.337	0.428	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001355835130	956730215	/nfs/dbraw/zinc/73/02/15/956730215.db2.gz	OQOBFGHUHOMLER-SECBINFHSA-N	-1	0	323.353	0.073	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001355835131	956730925	/nfs/dbraw/zinc/73/09/25/956730925.db2.gz	OQOBFGHUHOMLER-VIFPVBQESA-N	-1	0	323.353	0.073	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCOC[C@@H]1CCOC1	ZINC001292923052	957203613	/nfs/dbraw/zinc/20/36/13/957203613.db2.gz	PLBJFDZWRXOGQK-LLVKDONJSA-N	-1	0	305.334	0.750	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](NC(=O)C#CC2CC2)C(C)C)c1[O-]	ZINC001357093584	957209280	/nfs/dbraw/zinc/20/92/80/957209280.db2.gz	REICTKYPMXTJKH-GFCCVEGCSA-N	-1	0	318.377	0.708	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC001588389260	958006296	/nfs/dbraw/zinc/00/62/96/958006296.db2.gz	QDXWZZNWYMLXAC-CYBMUJFWSA-N	-1	0	324.377	0.244	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(OC(C)C)nc1	ZINC001588396113	958046593	/nfs/dbraw/zinc/04/65/93/958046593.db2.gz	UDOPUWJSLKOHJB-UHFFFAOYSA-N	-1	0	319.317	0.354	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)ncc1C#N	ZINC001594313574	958050184	/nfs/dbraw/zinc/05/01/84/958050184.db2.gz	LQBJFDRLHPOCQE-LLVKDONJSA-N	-1	0	318.333	0.673	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC001588397591	958060039	/nfs/dbraw/zinc/06/00/39/958060039.db2.gz	MWPLMALGOFQSTR-HNNXBMFYSA-N	-1	0	308.334	0.794	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CNC(=O)Cc1cccc(F)c1	ZINC001588401870	958086035	/nfs/dbraw/zinc/08/60/35/958086035.db2.gz	GDULLNRPAYDBJH-UHFFFAOYSA-N	-1	0	306.293	0.031	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CC[C@@H](c2nc(CC)no2)C1	ZINC001588409261	958124170	/nfs/dbraw/zinc/12/41/70/958124170.db2.gz	DBIRUSIXTLIJLD-MNOVXSKESA-N	-1	0	320.349	0.998	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCOC2(CCOCC2)C1	ZINC001588410460	958138816	/nfs/dbraw/zinc/13/88/16/958138816.db2.gz	VEMIFOPNDKDZTR-LBPRGKRZSA-N	-1	0	310.350	0.444	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(CNC(C)=O)cc1	ZINC001588411256	958148688	/nfs/dbraw/zinc/14/86/88/958148688.db2.gz	TYXKEFXZXIIIJO-UHFFFAOYSA-N	-1	0	303.318	0.874	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc(C(N)=O)c1OC	ZINC001588413327	958159415	/nfs/dbraw/zinc/15/94/15/958159415.db2.gz	ZCZQXCBBIZNCBW-UHFFFAOYSA-N	-1	0	305.290	0.346	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cncc(N2CCOCC2)c1	ZINC001588418331	958177905	/nfs/dbraw/zinc/17/79/05/958177905.db2.gz	ACUFKEBOMUMFDG-UHFFFAOYSA-N	-1	0	303.318	0.078	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CN2CCCC2)n1CC=C	ZINC001588426880	958235170	/nfs/dbraw/zinc/23/51/70/958235170.db2.gz	FLXNUROHZTXBJM-UHFFFAOYSA-N	-1	0	303.366	0.584	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnnn1Cc1ccn(C(C)C)n1	ZINC001588427065	958238330	/nfs/dbraw/zinc/23/83/30/958238330.db2.gz	LFIHTXZLIRGMEI-UHFFFAOYSA-N	-1	0	303.326	0.023	20	30		DCEDRM
C#CCOCCC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1	ZINC001588430350	958256383	/nfs/dbraw/zinc/25/63/83/958256383.db2.gz	AQBZVOWOKFIIIX-QWHCGFSZSA-N	-1	0	319.361	0.477	20	30		DCEDRM
C#CCN1CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1	ZINC001588431413	958268503	/nfs/dbraw/zinc/26/85/03/958268503.db2.gz	YHEAQVMURAYKIG-UHFFFAOYSA-N	-1	0	316.357	0.931	20	30		DCEDRM
C#CCSCC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1	ZINC001588433847	958300280	/nfs/dbraw/zinc/30/02/80/958300280.db2.gz	WBCVBRNNYDBAGI-RYUDHWBXSA-N	-1	0	321.402	0.803	20	30		DCEDRM
C#Cc1cnc(N2C[C@@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)nc1	ZINC001588439797	958322700	/nfs/dbraw/zinc/32/27/00/958322700.db2.gz	SHEFWPRFUGLEID-BGMSHATGSA-N	-1	0	315.329	0.548	20	30		DCEDRM
C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588441221	958335632	/nfs/dbraw/zinc/33/56/32/958335632.db2.gz	AUDPIUQQSDGFFZ-JTQLQIEISA-N	-1	0	317.353	0.561	20	30		DCEDRM
C=C(C)Cn1c([C@@H](O)COC)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588443351	958351823	/nfs/dbraw/zinc/35/18/23/958351823.db2.gz	PQJKZTNXKLBGGO-MNOVXSKESA-N	-1	0	310.354	0.445	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)[C@H](C)N1CCOCC1	ZINC001361810924	958357861	/nfs/dbraw/zinc/35/78/61/958357861.db2.gz	UGDQRLYZDLKQNC-RYUDHWBXSA-N	-1	0	318.377	0.806	20	30		DCEDRM
C=CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])c1ccncc1	ZINC001588453505	958439536	/nfs/dbraw/zinc/43/95/36/958439536.db2.gz	ZHOMNLNHXGLNDM-DGCLKSJQSA-N	-1	0	319.361	0.994	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588457321	958447465	/nfs/dbraw/zinc/44/74/65/958447465.db2.gz	VDCDBWNLMWNTJG-SNVBAGLBSA-N	-1	0	307.306	0.162	20	30		DCEDRM
C=CCNC(=O)CN1CCN(c2cc(C(=O)[O-])ccn2)CC1	ZINC001588465460	958503174	/nfs/dbraw/zinc/50/31/74/958503174.db2.gz	KZLIMOSADQVENB-UHFFFAOYSA-N	-1	0	304.350	0.204	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC001588465443	958503394	/nfs/dbraw/zinc/50/33/94/958503394.db2.gz	JYIPVKFTVNQYAU-QWHCGFSZSA-N	-1	0	317.345	0.901	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(CC(F)F)CC1	ZINC001361942000	958518754	/nfs/dbraw/zinc/51/87/54/958518754.db2.gz	HKWJILXBXNWJRB-UHFFFAOYSA-N	-1	0	310.304	0.990	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@@H](C)CC#N)cc2=O)n1	ZINC001361947810	958526657	/nfs/dbraw/zinc/52/66/57/958526657.db2.gz	FUMSOJLOSOISMU-QMMMGPOBSA-N	-1	0	300.322	0.604	20	30		DCEDRM
C=CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1[C@]1(O)CCSC1	ZINC001588471844	958537060	/nfs/dbraw/zinc/53/70/60/958537060.db2.gz	DTDSTJLVTILXET-YGRLFVJLSA-N	-1	0	324.406	0.700	20	30		DCEDRM
CCN(C[C@H]1CCCO1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361955439	958537845	/nfs/dbraw/zinc/53/78/45/958537845.db2.gz	CFPKASVOHUVBNM-GFCCVEGCSA-N	-1	0	320.349	0.238	20	30		DCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC001588472083	958539728	/nfs/dbraw/zinc/53/97/28/958539728.db2.gz	JGNIZZRQZLFQHK-UTUOFQBUSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](n1cncn1)C(F)(F)F	ZINC001573364220	958612928	/nfs/dbraw/zinc/61/29/28/958612928.db2.gz	OEARMMDEURUQEC-XCBNKYQSSA-N	-1	0	319.243	0.502	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC[C@H]1CCCS1(=O)=O	ZINC001573364569	958616029	/nfs/dbraw/zinc/61/60/29/958616029.db2.gz	PLKVHFAOMTVMDU-BXKDBHETSA-N	-1	0	302.352	0.074	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCN(C(C)C)C1=O	ZINC001362100187	958737898	/nfs/dbraw/zinc/73/78/98/958737898.db2.gz	BVDUAHMLVLKBBN-LLVKDONJSA-N	-1	0	302.334	0.706	20	30		DCEDRM
COCCN(CC#N)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001298924447	958748225	/nfs/dbraw/zinc/74/82/25/958748225.db2.gz	JIIJPGSORGBXBC-UHFFFAOYSA-N	-1	0	306.347	0.993	20	30		DCEDRM
CC(=O)c1cc(C#N)ccc1NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001588528312	958884670	/nfs/dbraw/zinc/88/46/70/958884670.db2.gz	YLQGZQIMFOKAJW-UHFFFAOYSA-N	-1	0	313.273	0.689	20	30		DCEDRM
CCOC[C@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362194762	958909822	/nfs/dbraw/zinc/90/98/22/958909822.db2.gz	BFVNLQIQRMFJGQ-NSHDSACASA-N	-1	0	320.349	0.096	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1	ZINC001588538979	958947391	/nfs/dbraw/zinc/94/73/91/958947391.db2.gz	SLMYDRJVOOYJKM-AMIZOPFISA-N	-1	0	308.294	0.486	20	30		DCEDRM
Cc1ncc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001362306989	959111741	/nfs/dbraw/zinc/11/17/41/959111741.db2.gz	AXHJXBHSWMZFGB-UHFFFAOYSA-N	-1	0	305.319	0.614	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-]	ZINC000159583827	959121665	/nfs/dbraw/zinc/12/16/65/959121665.db2.gz	YQFAYPNEAVBLRT-LBPRGKRZSA-N	-1	0	310.331	0.400	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCC2(C1)OCCO2	ZINC001362376949	959241557	/nfs/dbraw/zinc/24/15/57/959241557.db2.gz	RHWRGLGHTAIBFY-NSHDSACASA-N	-1	0	303.318	0.993	20	30		DCEDRM
CCC[C@@H](NC(=O)c1cnn(CCC#N)c1C)c1nnn[n-]1	ZINC001362395705	959272116	/nfs/dbraw/zinc/27/21/16/959272116.db2.gz	VABWFRLZRYLKTR-LLVKDONJSA-N	-1	0	302.342	0.890	20	30		DCEDRM
N#Cc1ccnc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)c1	ZINC001362408048	959294180	/nfs/dbraw/zinc/29/41/80/959294180.db2.gz	MRQZEAGEFCUHKH-JTQLQIEISA-N	-1	0	301.335	0.397	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1cccc(C#N)c1Cl	ZINC001464013636	1013189521	/nfs/dbraw/zinc/18/95/21/1013189521.db2.gz	LSCHWPQWDHTJTR-UHFFFAOYSA-N	-1	0	317.754	0.558	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC[C@H]1C[C@@H](C)O	ZINC001362457484	959396459	/nfs/dbraw/zinc/39/64/59/959396459.db2.gz	IZAYFYSPENRQIV-ZYHUDNBSSA-N	-1	0	305.334	0.579	20	30		DCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC001594223655	959401164	/nfs/dbraw/zinc/40/11/64/959401164.db2.gz	KJNVJZNZOHHHFN-BZNIZROVSA-N	-1	0	314.345	0.713	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC[C@H]2CCCCO2)c(=O)[n-]c1=O	ZINC001362525773	959522739	/nfs/dbraw/zinc/52/27/39/959522739.db2.gz	RUKPVMWKDVNXHY-GFCCVEGCSA-N	-1	0	320.349	0.286	20	30		DCEDRM
CCc1cccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001362629486	959728569	/nfs/dbraw/zinc/72/85/69/959728569.db2.gz	CDADGTRSFQLOCZ-UHFFFAOYSA-N	-1	0	312.329	0.699	20	30		DCEDRM
CC[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C	ZINC001362682509	959819917	/nfs/dbraw/zinc/81/99/17/959819917.db2.gz	GHWZHLRKFAUHPS-GHMZBOCLSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CCO[C@H](CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001362686074	959828037	/nfs/dbraw/zinc/82/80/37/959828037.db2.gz	CNQAZTUZZVLBTQ-GFCCVEGCSA-N	-1	0	322.365	0.388	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@H](NC(N)=O)C2)cc1C#N	ZINC001362783378	959979979	/nfs/dbraw/zinc/97/99/79/959979979.db2.gz	UGUDZFAAMFPGLA-QMMMGPOBSA-N	-1	0	321.362	0.264	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)s1	ZINC000230325786	960144720	/nfs/dbraw/zinc/14/47/20/960144720.db2.gz	TYGHQCVJXUAQDM-QMMMGPOBSA-N	-1	0	316.360	0.484	20	30		DCEDRM
CC(C)(O)C(C)(C)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362914407	960170076	/nfs/dbraw/zinc/17/00/76/960170076.db2.gz	PYCPIVUUHCOWFW-UHFFFAOYSA-N	-1	0	322.365	0.124	20	30		DCEDRM
CSCC[C@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)C(N)=O	ZINC001362972310	960243997	/nfs/dbraw/zinc/24/39/97/960243997.db2.gz	XMWZXJIVFOPMEV-VIFPVBQESA-N	-1	0	308.363	0.304	20	30		DCEDRM
CC#CCCCC(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001317534494	960279367	/nfs/dbraw/zinc/27/93/67/960279367.db2.gz	DDZAWYSKYTVFKW-GFCCVEGCSA-N	-1	0	305.382	0.642	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc(O)c(F)c2)c(=O)[n-]c1=O	ZINC001363002902	960285169	/nfs/dbraw/zinc/28/51/69/960285169.db2.gz	PLFHOCILBKNEOG-UHFFFAOYSA-N	-1	0	318.264	0.095	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Cc2ccc(F)cc2)c(=O)[n-]c1=O	ZINC001363004677	960287930	/nfs/dbraw/zinc/28/79/30/960287930.db2.gz	SUYRBFNUUDYLTJ-UHFFFAOYSA-N	-1	0	316.292	0.319	20	30		DCEDRM
Cc1ncc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001363006762	960292351	/nfs/dbraw/zinc/29/23/51/960292351.db2.gz	ZJTCHCAXZMSGDD-UHFFFAOYSA-N	-1	0	305.319	0.016	20	30		DCEDRM
C[C@H]1C[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC001363037683	960329143	/nfs/dbraw/zinc/32/91/43/960329143.db2.gz	AKBPCSVKINCCKJ-WCBMZHEXSA-N	-1	0	308.363	0.221	20	30		DCEDRM
C[C@]1(C#N)CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CCO1	ZINC001363124111	960436462	/nfs/dbraw/zinc/43/64/62/960436462.db2.gz	MCDTXRDXCOXOHI-HNNXBMFYSA-N	-1	0	314.301	0.785	20	30		DCEDRM
Cc1sccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363128442	960439223	/nfs/dbraw/zinc/43/92/23/960439223.db2.gz	MKBOSDBFWRPRPR-UHFFFAOYSA-N	-1	0	304.331	0.621	20	30		DCEDRM
C[C@@H](CC(=O)OC(C)(C)C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363154536	960495654	/nfs/dbraw/zinc/49/56/54/960495654.db2.gz	WOGIKRMVXTXSOO-QMMMGPOBSA-N	-1	0	308.338	0.477	20	30		DCEDRM
CN(Cc1ccc(F)cc1)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001363184840	960557898	/nfs/dbraw/zinc/55/78/98/960557898.db2.gz	MHLHYWYOKQJMJU-UHFFFAOYSA-N	-1	0	316.292	0.206	20	30		DCEDRM
N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nc1	ZINC001571071917	960904084	/nfs/dbraw/zinc/90/40/84/960904084.db2.gz	CIUGCIWIXHQNNG-WRWGMCAJSA-N	-1	0	300.318	0.733	20	30		DCEDRM
COC[C@@H]1CCCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363329605	960908333	/nfs/dbraw/zinc/90/83/33/960908333.db2.gz	ZZFHJLNJKBCKKO-LBPRGKRZSA-N	-1	0	320.349	0.238	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H]2CCNC(=O)[C@H]21	ZINC001363335608	960923158	/nfs/dbraw/zinc/92/31/58/960923158.db2.gz	AQDVSACLYNRQTE-GWCFXTLKSA-N	-1	0	314.345	0.708	20	30		DCEDRM
N#Cc1ccc(O[C@@H]2CCN(C(=O)c3c[n-]ncc3=O)C2)nc1	ZINC001363374890	961009414	/nfs/dbraw/zinc/00/94/14/961009414.db2.gz	NZMUHRQMJAOWAE-LLVKDONJSA-N	-1	0	311.301	0.742	20	30		DCEDRM
N#Cc1cccc(OCC(=O)NC2(C(=O)[O-])CCOCC2)c1	ZINC001571085445	961053278	/nfs/dbraw/zinc/05/32/78/961053278.db2.gz	PFISZOCZDKVNCP-UHFFFAOYSA-N	-1	0	304.302	0.687	20	30		DCEDRM
CC(C)[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)N1CCCC1=O	ZINC001363467441	961215690	/nfs/dbraw/zinc/21/56/90/961215690.db2.gz	UZZXRZUICLLTRZ-GFCCVEGCSA-N	-1	0	300.322	0.739	20	30		DCEDRM
Cc1ccc2c(c1)[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)CC2	ZINC001363470358	961220377	/nfs/dbraw/zinc/22/03/77/961220377.db2.gz	ULXNPCCNICYSHO-AWEZNQCLSA-N	-1	0	324.340	0.933	20	30		DCEDRM
CC(C)(CCC#N)CNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588758627	961238237	/nfs/dbraw/zinc/23/82/37/961238237.db2.gz	VUEVQHQNVHUDMM-UHFFFAOYSA-N	-1	0	305.334	0.993	20	30		DCEDRM
COC(C)(C)[C@@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363579806	961481286	/nfs/dbraw/zinc/48/12/86/961481286.db2.gz	RUAFVTLDDNYQDY-SECBINFHSA-N	-1	0	308.338	0.140	20	30		DCEDRM
Cn1cc([C@]2(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCCO2)cn1	ZINC001574454851	961501804	/nfs/dbraw/zinc/50/18/04/961501804.db2.gz	SBOAWAAYFISLRB-LSDHHAIUSA-N	-1	0	320.349	0.547	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2CCCOC2)CC1	ZINC001571131822	961566548	/nfs/dbraw/zinc/56/65/48/961566548.db2.gz	UXAVMUXKWPRVIS-NSHDSACASA-N	-1	0	316.379	0.433	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccc(F)c(C#N)c1N	ZINC001574466911	961576446	/nfs/dbraw/zinc/57/64/46/961576446.db2.gz	LGGJSEHBKUWIFE-UHFFFAOYSA-N	-1	0	303.253	0.964	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC1CN(c2ccncn2)C1	ZINC001363629514	961582434	/nfs/dbraw/zinc/58/24/34/961582434.db2.gz	WBBQLVUYBMTMMP-UHFFFAOYSA-N	-1	0	310.317	0.376	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@@H](CCNc2ncc(C(=O)[O-])cn2)C1	ZINC001571133460	961591800	/nfs/dbraw/zinc/59/18/00/961591800.db2.gz	OLPURIFFDYXYQW-WDEREUQCSA-N	-1	0	317.349	0.985	20	30		DCEDRM
COc1ccc(COCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC001363639530	961603493	/nfs/dbraw/zinc/60/34/93/961603493.db2.gz	DGRJYDDGPALQKE-UHFFFAOYSA-N	-1	0	312.289	0.712	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC2(C1)CCNC(=O)O2	ZINC001363648506	961622541	/nfs/dbraw/zinc/62/25/41/961622541.db2.gz	MEKUFNFWNLQSTE-UHFFFAOYSA-N	-1	0	302.290	0.292	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)co1	ZINC001574479199	961647959	/nfs/dbraw/zinc/64/79/59/961647959.db2.gz	GFRTYQKSBNXNCF-LLVKDONJSA-N	-1	0	305.290	0.347	20	30		DCEDRM
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001574489600	961707143	/nfs/dbraw/zinc/70/71/43/961707143.db2.gz	LKGITPPKOIFOGB-LBPRGKRZSA-N	-1	0	311.301	0.652	20	30		DCEDRM
C[C@@H](C[C@@H](O)c1ccco1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363723959	961765596	/nfs/dbraw/zinc/76/55/96/961765596.db2.gz	ATXLCLFUCOBIIO-WCBMZHEXSA-N	-1	0	304.306	0.462	20	30		DCEDRM
C[C@@H](O)C[C@H]1COCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001363798058	961910089	/nfs/dbraw/zinc/91/00/89/961910089.db2.gz	GNLFGYZRUNBLJM-MFKMUULPSA-N	-1	0	317.349	0.278	20	30		DCEDRM
CCOC(=O)c1n[nH]c(CNC(=O)c2cccc(F)c2C#N)n1	ZINC001364086196	962438456	/nfs/dbraw/zinc/43/84/56/962438456.db2.gz	XSQKZGMGMAFUDL-UHFFFAOYSA-N	-1	0	317.280	0.922	20	30		DCEDRM
C[C@H]1CCC[C@H]1CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364106840	962482262	/nfs/dbraw/zinc/48/22/62/962482262.db2.gz	HWXFOENQUSYKQV-QWRGUYRKSA-N	-1	0	304.350	0.763	20	30		DCEDRM
C#CCCCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)[O-]	ZINC001573301437	962626661	/nfs/dbraw/zinc/62/66/61/962626661.db2.gz	BLMVMWHKFWFOSQ-JYAVWHMHSA-N	-1	0	321.377	0.411	20	30		DCEDRM
C#CCCCCCC(=O)N1CC[C@@H](NC(=O)CNC(=O)[O-])C1	ZINC001573301676	962633431	/nfs/dbraw/zinc/63/34/31/962633431.db2.gz	ICDXNDONZJTCFV-GFCCVEGCSA-N	-1	0	309.366	0.555	20	30		DCEDRM
Cc1c(C(=O)NCc2nc([O-])cc(=O)[nH]2)cnn1CCC#N	ZINC001364203326	962662790	/nfs/dbraw/zinc/66/27/90/962662790.db2.gz	IHHDVFSYKZSCDL-UHFFFAOYSA-N	-1	0	302.294	0.236	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)s1)C(=O)[O-]	ZINC001573303395	962675153	/nfs/dbraw/zinc/67/51/53/962675153.db2.gz	NNMSJVRUNQZGQY-SSDOTTSWSA-N	-1	0	301.345	0.358	20	30		DCEDRM
C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CNC(=O)[O-])C1	ZINC001573303853	962683627	/nfs/dbraw/zinc/68/36/27/962683627.db2.gz	UEGWFNVLGFXOCN-GFCCVEGCSA-N	-1	0	309.366	0.412	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001573304051	962684988	/nfs/dbraw/zinc/68/49/88/962684988.db2.gz	YBECDBNXUGBGMY-LBPRGKRZSA-N	-1	0	302.334	0.991	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](CO)c2ccc(Cl)cc2)c(C#N)c1=O	ZINC001364221868	962700720	/nfs/dbraw/zinc/70/07/20/962700720.db2.gz	PTMBFSFZHVNWDQ-NSHDSACASA-N	-1	0	320.736	0.744	20	30		DCEDRM
C=C(Br)CN1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573313917	962738862	/nfs/dbraw/zinc/73/88/62/962738862.db2.gz	UKFTZHHGPOCYCN-BDAKNGLRSA-N	-1	0	303.156	0.416	20	30		DCEDRM
C=C(Br)CN1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573314064	962740882	/nfs/dbraw/zinc/74/08/82/962740882.db2.gz	VWRSEMFJLUEBIN-UWVGGRQHSA-N	-1	0	317.183	0.664	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O	ZINC001573332481	962835231	/nfs/dbraw/zinc/83/52/31/962835231.db2.gz	KAWYPLBCIHHGQY-LLVKDONJSA-N	-1	0	320.349	0.453	20	30		DCEDRM
C=CCC(C)(C)C(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573351929	962982936	/nfs/dbraw/zinc/98/29/36/962982936.db2.gz	YWQVMJXPJLNWFD-RYUDHWBXSA-N	-1	0	308.378	0.979	20	30		DCEDRM
C=CCCC(=O)NC[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001573352316	962985437	/nfs/dbraw/zinc/98/54/37/962985437.db2.gz	AHEOFZXCOXOPGG-XYPYZODXSA-N	-1	0	304.350	0.870	20	30		DCEDRM
C=CCCCC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001573357312	963014267	/nfs/dbraw/zinc/01/42/67/963014267.db2.gz	LCFUGJXTKIZPEW-LLVKDONJSA-N	-1	0	304.350	0.966	20	30		DCEDRM
C=CCCCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001573357313	963014707	/nfs/dbraw/zinc/01/47/07/963014707.db2.gz	LCFUGJXTKIZPEW-NSHDSACASA-N	-1	0	304.350	0.966	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)CC1(C(=O)OC)CC1)C(=O)[O-]	ZINC001573365827	963056968	/nfs/dbraw/zinc/05/69/68/963056968.db2.gz	INWYXUNOQWADCO-JTQLQIEISA-N	-1	0	319.379	0.669	20	30		DCEDRM
C=CCOCC(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573368438	963079457	/nfs/dbraw/zinc/07/94/57/963079457.db2.gz	FARLFPOEMNBGND-NEPJUHHUSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C#CCCCNC(=O)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588446752	964079304	/nfs/dbraw/zinc/07/93/04/964079304.db2.gz	YVZLRHCSGPWSEU-BGMSHATGSA-N	-1	0	322.361	0.045	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@H](C#N)C(C)C)cc2=O)n1	ZINC001448097594	1013753951	/nfs/dbraw/zinc/75/39/51/1013753951.db2.gz	DUZXTQQFGZOBLX-GFCCVEGCSA-N	-1	0	314.349	0.850	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCCC[C@H](S(C)(=O)=O)C1	ZINC001609691212	970447095	/nfs/dbraw/zinc/44/70/95/970447095.db2.gz	BNQXKDYYQRYWDB-GXFFZTMASA-N	-1	0	316.379	0.417	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1	ZINC001609691422	970449268	/nfs/dbraw/zinc/44/92/68/970449268.db2.gz	OBENPOSTAKKSCZ-ZWNOBZJWSA-N	-1	0	316.379	0.417	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)N(C)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001609887732	970582155	/nfs/dbraw/zinc/58/21/55/970582155.db2.gz	STXJCRYPWKKCBJ-NSHDSACASA-N	-1	0	317.345	0.696	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)C1(CC(=O)[O-])CCC1	ZINC001604174926	972591961	/nfs/dbraw/zinc/59/19/61/972591961.db2.gz	MAUSMNLGCMRZJG-UHFFFAOYSA-N	-1	0	319.365	0.900	20	30		DCEDRM
C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001603392423	973017419	/nfs/dbraw/zinc/01/74/19/973017419.db2.gz	RPJMIZBPNOOZQS-NXEZZACHSA-N	-1	0	315.333	0.992	20	30		DCEDRM
C[C@@H]1CCCN(C(=O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001603408075	973077187	/nfs/dbraw/zinc/07/71/87/973077187.db2.gz	ZLDMQKSKUNAQRY-IAQYHMDHSA-N	-1	0	309.366	0.756	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001605320577	973156076	/nfs/dbraw/zinc/15/60/76/973156076.db2.gz	RHQGWPMSCLJFQR-NSHDSACASA-N	-1	0	310.331	0.341	20	30		DCEDRM
CC[C@H](C#N)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001603487829	973415463	/nfs/dbraw/zinc/41/54/63/973415463.db2.gz	DERFMKBBVGOGCI-GHMZBOCLSA-N	-1	0	307.350	0.460	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)NCC1(C#N)CCOCC1	ZINC001604599707	973697411	/nfs/dbraw/zinc/69/74/11/973697411.db2.gz	AGWZGRUGVHRBMU-UHFFFAOYSA-N	-1	0	313.354	0.439	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)NCc1ccc(C#N)cn1	ZINC001604601008	973709214	/nfs/dbraw/zinc/70/92/14/973709214.db2.gz	YOKSVELIWQOCCE-UHFFFAOYSA-N	-1	0	306.322	0.586	20	30		DCEDRM
N#CC1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1	ZINC001605583568	973874740	/nfs/dbraw/zinc/87/47/40/973874740.db2.gz	WEBAMKVFKTZIPT-UHFFFAOYSA-N	-1	0	307.350	0.508	20	30		DCEDRM
N#CCCn1ccc(NC(=O)NCC2(C(=O)[O-])CCOCC2)n1	ZINC001605585617	973877806	/nfs/dbraw/zinc/87/78/06/973877806.db2.gz	HIRSEGVEPASIMG-UHFFFAOYSA-N	-1	0	321.337	0.800	20	30		DCEDRM
CC(C)[C@H](NC(=O)COC(=O)c1cc(O)cc(C#N)c1)C(=O)[O-]	ZINC001591878839	976236199	/nfs/dbraw/zinc/23/61/99/976236199.db2.gz	PRNHOCOAZZNXIB-ZDUSSCGKSA-N	-1	0	320.301	0.646	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)c(Cl)c1	ZINC000706443171	977322051	/nfs/dbraw/zinc/32/20/51/977322051.db2.gz	SJBGRRSKPXPHOZ-UHFFFAOYSA-N	-1	0	316.722	0.032	20	30		DCEDRM
C[C@H](CC#N)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001592222182	977405819	/nfs/dbraw/zinc/40/58/19/977405819.db2.gz	SLSAILIPXUUCHC-MRVPVSSYSA-N	-1	0	307.310	0.060	20	30		DCEDRM
C#CC1(O)CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1	ZINC000708107977	977415606	/nfs/dbraw/zinc/41/56/06/977415606.db2.gz	LKRUANAGHPHWHJ-UHFFFAOYSA-N	-1	0	315.372	0.595	20	30		DCEDRM
N#Cc1cc(F)cc(S(=O)(=O)NCCSCC(=O)[O-])c1	ZINC000718531012	977973577	/nfs/dbraw/zinc/97/35/77/977973577.db2.gz	GBXVIRJCDXCJNQ-UHFFFAOYSA-N	-1	0	318.351	0.793	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001523014617	1014518321	/nfs/dbraw/zinc/51/83/21/1014518321.db2.gz	PTTMLLIAQFQCQH-BMIGLBTASA-N	-1	0	322.365	0.082	20	30		DCEDRM
CC[C@H](CNC(=O)CSCC#N)Nc1ccnc(C(=O)[O-])n1	ZINC001595144709	979610424	/nfs/dbraw/zinc/61/04/24/979610424.db2.gz	WFWXBIXAUKRLIX-SECBINFHSA-N	-1	0	323.378	0.160	20	30		DCEDRM
CC[C@H](CNS(C)(=O)=O)Nc1ccc(C(=O)[O-])nc1C#N	ZINC001595172848	979746974	/nfs/dbraw/zinc/74/69/74/979746974.db2.gz	ROJJOYJSWDCHFF-MRVPVSSYSA-N	-1	0	312.351	0.391	20	30		DCEDRM
CC[C@@](COC)(NS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-]	ZINC001595199801	979944102	/nfs/dbraw/zinc/94/41/02/979944102.db2.gz	NHWALCMWOISLFF-ZDUSSCGKSA-N	-1	0	318.395	0.870	20	30		DCEDRM
CCCCCCCNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001595704344	982274018	/nfs/dbraw/zinc/27/40/18/982274018.db2.gz	GGYFACAGCOFHJQ-RYUDHWBXSA-N	-1	0	314.382	0.367	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-]	ZINC001588370700	983321806	/nfs/dbraw/zinc/32/18/06/983321806.db2.gz	LHWONOZVQIAVMX-LBPRGKRZSA-N	-1	0	319.338	0.810	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1scnc1C(=O)[O-])[C@@H]1CCCO1	ZINC001588376536	983352193	/nfs/dbraw/zinc/35/21/93/983352193.db2.gz	UZOHAXXAWQRYMD-YUMQZZPRSA-N	-1	0	316.360	0.300	20	30		DCEDRM
C#CC1(O)CN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)C1	ZINC001588379314	983363561	/nfs/dbraw/zinc/36/35/61/983363561.db2.gz	CWTVQKOLJQRWJV-UHFFFAOYSA-N	-1	0	303.318	0.663	20	30		DCEDRM
C#CC1(O)CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1	ZINC001588379595	983364930	/nfs/dbraw/zinc/36/49/30/983364930.db2.gz	NGNIZHQLKGSEPG-UHFFFAOYSA-N	-1	0	323.370	0.675	20	30		DCEDRM
C#CC1(O)CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC001588379995	983366380	/nfs/dbraw/zinc/36/63/80/983366380.db2.gz	WYNSGBSCHZSAAW-UHFFFAOYSA-N	-1	0	309.343	0.534	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)C1	ZINC001588383009	983376552	/nfs/dbraw/zinc/37/65/52/983376552.db2.gz	WEBBYFWYDIPDOW-UHFFFAOYSA-N	-1	0	323.370	0.417	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001588383800	983384318	/nfs/dbraw/zinc/38/43/18/983384318.db2.gz	LAOOAOBCMSQBTR-SSDOTTSWSA-N	-1	0	319.722	0.654	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588393252	983397210	/nfs/dbraw/zinc/39/72/10/983397210.db2.gz	DWQKRNUNYJHONV-WVIDZAQPSA-N	-1	0	310.350	0.082	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC001588393423	983397479	/nfs/dbraw/zinc/39/74/79/983397479.db2.gz	FTYXRIQPAMWGNZ-ZETCQYMHSA-N	-1	0	318.738	0.096	20	30		DCEDRM
C#CC[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC001588399182	983415362	/nfs/dbraw/zinc/41/53/62/983415362.db2.gz	RJQJIYCVNGHDFK-JTQLQIEISA-N	-1	0	310.350	0.884	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@@H](n1ccnc1)C(F)(F)F)C(=O)[O-]	ZINC001588405179	983420506	/nfs/dbraw/zinc/42/05/06/983420506.db2.gz	DLACQSSLKQJVRJ-DTWKUNHWSA-N	-1	0	303.240	0.969	20	30		DCEDRM
C#CC[C@H](NC(=O)CSc1nnnn1C1CCCC1)C(=O)[O-]	ZINC001588406000	983423836	/nfs/dbraw/zinc/42/38/36/983423836.db2.gz	WBNUWKZAVNCBCL-JTQLQIEISA-N	-1	0	323.378	0.473	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@H]1C(=O)Nc2ccc(F)cc21)C(=O)[O-]	ZINC001588407305	983427948	/nfs/dbraw/zinc/42/79/48/983427948.db2.gz	YJRHFJNKRYQPHU-ZYHUDNBSSA-N	-1	0	304.277	0.844	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1CC)C(=O)[O-]	ZINC001588413781	983432147	/nfs/dbraw/zinc/43/21/47/983432147.db2.gz	HUYRDWJRQPANQM-CYBMUJFWSA-N	-1	0	323.370	0.859	20	30		DCEDRM
C#CC[C@H](NC(=O)c1nnn(Cc2ccncc2)c1C)C(=O)[O-]	ZINC001588421447	983440837	/nfs/dbraw/zinc/44/08/37/983440837.db2.gz	JFAUXPRGROLNIL-LBPRGKRZSA-N	-1	0	313.317	0.236	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cnn(Cc2ccccc2)c1N)C(=O)[O-]	ZINC001588421788	983442866	/nfs/dbraw/zinc/44/28/66/983442866.db2.gz	OFKJLOKSKLFMTM-ZDUSSCGKSA-N	-1	0	312.329	0.720	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)N1CC[C@@H]2CCCC[C@H]2C1)C(=O)[O-]	ZINC001588423353	983452160	/nfs/dbraw/zinc/45/21/60/983452160.db2.gz	DDRJDBASNYOZIR-AVGNSLFASA-N	-1	0	314.407	0.809	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)C[C@@H]1CCC2(CCC2)O1)C(=O)[O-]	ZINC001588424416	983455253	/nfs/dbraw/zinc/45/52/53/983455253.db2.gz	WMEYJHSXOLDHBX-WDEREUQCSA-N	-1	0	301.364	0.484	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cncc(OC(C)C)c1)C(=O)[O-]	ZINC001588428292	983460851	/nfs/dbraw/zinc/46/08/51/983460851.db2.gz	IZDJDGZPVYXGQM-LBPRGKRZSA-N	-1	0	312.347	0.624	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)[O-]	ZINC001588428749	983463814	/nfs/dbraw/zinc/46/38/14/983463814.db2.gz	ZVKSWMGKAIXHEG-VIFPVBQESA-N	-1	0	323.286	0.221	20	30		DCEDRM
C#CCCCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588435044	983474212	/nfs/dbraw/zinc/47/42/12/983474212.db2.gz	AJTHNDDLZCRBJP-TXEJJXNPSA-N	-1	0	316.361	0.707	20	30		DCEDRM
C#CCN(C(=O)Cn1cccc(C(=O)[O-])c1=O)c1nccs1	ZINC001588459528	983484485	/nfs/dbraw/zinc/48/44/85/983484485.db2.gz	ACAQHMJYXVDVAR-UHFFFAOYSA-N	-1	0	317.326	0.669	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001588464725	983494238	/nfs/dbraw/zinc/49/42/38/983494238.db2.gz	GJOLNJLAOQQCPP-UHFFFAOYSA-N	-1	0	301.302	0.147	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC001588464993	983495830	/nfs/dbraw/zinc/49/58/30/983495830.db2.gz	ZWZRPBJXVCTTTB-UHFFFAOYSA-N	-1	0	304.327	0.870	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC001588468066	983499995	/nfs/dbraw/zinc/49/99/95/983499995.db2.gz	MOPYZWBFIPYEDR-SNVBAGLBSA-N	-1	0	319.379	0.314	20	30		DCEDRM
C#CCN(CC1CC1)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588468093	983500364	/nfs/dbraw/zinc/50/03/64/983500364.db2.gz	PBMVFUWRUJFENL-UHFFFAOYSA-N	-1	0	301.302	0.590	20	30		DCEDRM
C#CCNC(=O)CNc1cc2c(cc1C(=O)[O-])OCCCO2	ZINC001588483605	983521373	/nfs/dbraw/zinc/52/13/73/983521373.db2.gz	CWQOMWVWYLKTMO-UHFFFAOYSA-N	-1	0	304.302	0.707	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)c2cc(C(=O)[O-])ccn2)CC1	ZINC001588479693	983521483	/nfs/dbraw/zinc/52/14/83/983521483.db2.gz	ZWKNVEMHMCQGQF-UHFFFAOYSA-N	-1	0	315.329	0.381	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC001588491329	983535813	/nfs/dbraw/zinc/53/58/13/983535813.db2.gz	JVPPRKQYDJBFCO-UHFFFAOYSA-N	-1	0	301.320	0.523	20	30		DCEDRM
C#CCOCCNC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588491823	983537518	/nfs/dbraw/zinc/53/75/18/983537518.db2.gz	XOCFJJDSJWEUOA-AVERBVTBSA-N	-1	0	310.350	0.348	20	30		DCEDRM
C#CCSCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC001588506270	983551184	/nfs/dbraw/zinc/55/11/84/983551184.db2.gz	NUNFXMUFDOGIGT-JTQLQIEISA-N	-1	0	300.380	0.085	20	30		DCEDRM
C#CCn1ccc(CN(CC)S(=O)(=O)C[C@H](C)C(=O)[O-])n1	ZINC001588509822	983553739	/nfs/dbraw/zinc/55/37/39/983553739.db2.gz	OWCICVRUMINQBD-NSHDSACASA-N	-1	0	313.379	0.389	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)c2cncc(C(=O)[O-])n2)n1	ZINC001588511494	983559816	/nfs/dbraw/zinc/55/98/16/983559816.db2.gz	YHDQLRDAQOEOJG-UHFFFAOYSA-N	-1	0	315.333	0.658	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)cc1	ZINC001588517486	983564840	/nfs/dbraw/zinc/56/48/40/983564840.db2.gz	BXCHTCXTEPOZOK-AWEZNQCLSA-N	-1	0	309.343	0.580	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)C(=O)OC	ZINC001588541222	983606786	/nfs/dbraw/zinc/60/67/86/983606786.db2.gz	VNPPKUICSYBXNE-LBPRGKRZSA-N	-1	0	323.349	0.986	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC1(CC(=O)[O-])CCC1	ZINC001596231327	983626220	/nfs/dbraw/zinc/62/62/20/983626220.db2.gz	LUUHAOXPUUFLSN-JTQLQIEISA-N	-1	0	303.384	0.700	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC001596231543	983626694	/nfs/dbraw/zinc/62/66/94/983626694.db2.gz	PQQNNALRQRYSIN-CMPLNLGQSA-N	-1	0	317.411	0.803	20	30		DCEDRM
C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)Cn1cc(C(=O)[O-])nn1	ZINC001588562620	983642758	/nfs/dbraw/zinc/64/27/58/983642758.db2.gz	AJZDWXJDSGGDGP-SNVBAGLBSA-N	-1	0	324.337	0.333	20	30		DCEDRM
C=C(C)Cn1c(CO)nnc1N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588598197	983682505	/nfs/dbraw/zinc/68/25/05/983682505.db2.gz	VDWRWJPQTUVVQV-XHDPSFHLSA-N	-1	0	322.365	0.274	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N([C@@H](C)CS(C)(=O)=O)C1CC1	ZINC001588606760	983698563	/nfs/dbraw/zinc/69/85/63/983698563.db2.gz	IREQIKGWWATBKU-JTQLQIEISA-N	-1	0	303.380	0.832	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC001596299931	983727327	/nfs/dbraw/zinc/72/73/27/983727327.db2.gz	IYDZVVMOIVVEGL-WDEREUQCSA-N	-1	0	319.383	0.079	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCNc1cc(C)nc2ncnn21	ZINC001588624397	983732227	/nfs/dbraw/zinc/73/22/27/983732227.db2.gz	HSDXLYOQXIOWEK-UHFFFAOYSA-N	-1	0	318.337	0.382	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCC[C@]1(O)C(=O)Nc2ccccc21	ZINC001588624758	983734836	/nfs/dbraw/zinc/73/48/36/983734836.db2.gz	VVKWAEAHPFSGHF-MRXNPFEDSA-N	-1	0	318.329	0.754	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1ccc(-c2nncnn2)cc1	ZINC001588629954	983740251	/nfs/dbraw/zinc/74/02/51/983740251.db2.gz	NZHUIQQHTHUQKH-UHFFFAOYSA-N	-1	0	313.317	0.971	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC001588632816	983746013	/nfs/dbraw/zinc/74/60/13/983746013.db2.gz	ACBAYPSTGMHFFR-SNVBAGLBSA-N	-1	0	301.364	0.915	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1	ZINC001588681480	983840045	/nfs/dbraw/zinc/84/00/45/983840045.db2.gz	XKTBHXPSOOTDOV-NHYWBVRUSA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=C[C@H](CC)CC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-]	ZINC001588690497	983874772	/nfs/dbraw/zinc/87/47/72/983874772.db2.gz	AYPDZVJVEKQZNZ-VWYCJHECSA-N	-1	0	323.349	0.195	20	30		DCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1ccc(OC)cc1C(=O)[O-]	ZINC001588692720	983885264	/nfs/dbraw/zinc/88/52/64/983885264.db2.gz	ISXLJZDWCFUALD-VIFPVBQESA-N	-1	0	315.347	0.873	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1CC1CC1	ZINC001588704575	983924682	/nfs/dbraw/zinc/92/46/82/983924682.db2.gz	GWKFDKWWZPTDTO-MNOVXSKESA-N	-1	0	308.338	0.197	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CCc3ccc(C(=O)[O-])nc3C2)n1C	ZINC001588705147	983926179	/nfs/dbraw/zinc/92/61/79/983926179.db2.gz	KHSPZFTYSKFNFV-LBPRGKRZSA-N	-1	0	315.333	0.690	20	30		DCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588735925	984021745	/nfs/dbraw/zinc/02/17/45/984021745.db2.gz	PCYZEYHRGNPPPN-BONVTDFDSA-N	-1	0	323.349	0.289	20	30		DCEDRM
C=CCC(C)(C)Cn1nnnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588736491	984025527	/nfs/dbraw/zinc/02/55/27/984025527.db2.gz	LLSAUUBAUPKVKW-AWEZNQCLSA-N	-1	0	309.370	0.955	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001588743594	984038690	/nfs/dbraw/zinc/03/86/90/984038690.db2.gz	AIGCFBHNHFFXHE-JTQLQIEISA-N	-1	0	303.311	0.739	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588745418	984052317	/nfs/dbraw/zinc/05/23/17/984052317.db2.gz	YYKGIAQURGSVEA-NSHDSACASA-N	-1	0	306.318	0.305	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)nn1	ZINC001588817229	984275335	/nfs/dbraw/zinc/27/53/35/984275335.db2.gz	FZPCWGFXRVDGEM-LBPRGKRZSA-N	-1	0	301.306	0.805	20	30		DCEDRM
C=CCCn1cc(CS(=O)(=O)c2ncccc2C(=O)[O-])nn1	ZINC001588819974	984280734	/nfs/dbraw/zinc/28/07/34/984280734.db2.gz	LDJALOATYHYBGN-UHFFFAOYSA-N	-1	0	322.346	0.921	20	30		DCEDRM
C=CCN(C(=O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)[C@H](C)COC	ZINC001588820205	984282873	/nfs/dbraw/zinc/28/28/73/984282873.db2.gz	WBBZYIIXBMMMID-AZKPJATDSA-N	-1	0	324.377	0.405	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2ccc(C(=O)[O-])cn2)C1=O	ZINC001588836946	984331120	/nfs/dbraw/zinc/33/11/20/984331120.db2.gz	NHHHVKHVKVIPBV-LBPRGKRZSA-N	-1	0	303.318	0.639	20	30		DCEDRM
C=CCNc1ncc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])s1	ZINC001588849537	984372342	/nfs/dbraw/zinc/37/23/42/984372342.db2.gz	XRMXOWMDATZANV-SECBINFHSA-N	-1	0	321.362	0.890	20	30		DCEDRM
C=CCO[C@@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1	ZINC001588850005	984377709	/nfs/dbraw/zinc/37/77/09/984377709.db2.gz	SSCYSFBOKITMRI-LLVKDONJSA-N	-1	0	305.334	0.995	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CN1CSCCSC1)C(=O)[O-]	ZINC001588853864	984386552	/nfs/dbraw/zinc/38/65/52/984386552.db2.gz	JZOCOSZZXKXOEQ-JTQLQIEISA-N	-1	0	320.436	0.455	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)/C=C\c1ccc(C(=O)OC)o1)C(=O)[O-]	ZINC001588854232	984389169	/nfs/dbraw/zinc/38/91/69/984389169.db2.gz	SGIPQWJJNURQED-JPVGGKMYSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1COc2ccc(O)cc2O1)C(=O)[O-]	ZINC001588856415	984399689	/nfs/dbraw/zinc/39/96/89/984399689.db2.gz	YUZSGFLMNPDORF-GWCFXTLKSA-N	-1	0	323.301	0.304	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cn1ncc2cc(C)cnc21)C(=O)[O-]	ZINC001588856475	984400356	/nfs/dbraw/zinc/40/03/56/984400356.db2.gz	JHFQBHNDHOLLIM-LBPRGKRZSA-N	-1	0	318.333	0.512	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1[nH]ncc1C(F)(F)F)C(=O)[O-]	ZINC001588856492	984400506	/nfs/dbraw/zinc/40/05/06/984400506.db2.gz	KNUMHFMLVXYYNT-SSDOTTSWSA-N	-1	0	307.228	0.814	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](CC1CCC1)NC(C)=O)C(=O)[O-]	ZINC001588857354	984402983	/nfs/dbraw/zinc/40/29/83/984402983.db2.gz	XCCCZIDEECBICU-OLZOCXBDSA-N	-1	0	312.366	0.453	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccnc2[nH]c(=O)[nH]c21)C(=O)[O-]	ZINC001588860512	984413689	/nfs/dbraw/zinc/41/36/89/984413689.db2.gz	WQFGDOKWYWDGHP-QMMMGPOBSA-N	-1	0	306.278	0.049	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588866888	984428933	/nfs/dbraw/zinc/42/89/33/984428933.db2.gz	SNDRALOXLRRLPX-VXGBXAGGSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C=CCOC[C@@H]1NC(=O)N([C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1=O	ZINC001588867063	984429867	/nfs/dbraw/zinc/42/98/67/984429867.db2.gz	VUTNNEUXRNSLMV-JCIQBVFBSA-N	-1	0	308.334	0.609	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001588879279	984457391	/nfs/dbraw/zinc/45/73/91/984457391.db2.gz	YXZUHTKXLZUSOS-UHFFFAOYSA-N	-1	0	315.322	0.855	20	30		DCEDRM
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588890179	984484650	/nfs/dbraw/zinc/48/46/50/984484650.db2.gz	RMDQRGFCWHAVBL-ZDUSSCGKSA-N	-1	0	321.316	0.263	20	30		DCEDRM
C=CCn1c(-c2ncc[nH]2)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588891932	984490678	/nfs/dbraw/zinc/49/06/78/984490678.db2.gz	XLQQJXGFAZYFDB-CYBMUJFWSA-N	-1	0	306.301	0.857	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)OCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC	ZINC001588916654	984562295	/nfs/dbraw/zinc/56/22/95/984562295.db2.gz	XRUBFZLOESMSFD-SRRSOLGSSA-N	-1	0	313.350	0.736	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC001588925689	984588321	/nfs/dbraw/zinc/58/83/21/984588321.db2.gz	VBRIETWKTICHFI-LBPRGKRZSA-N	-1	0	311.359	0.366	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001599942376	985470603	/nfs/dbraw/zinc/47/06/03/985470603.db2.gz	HPJXOHMUNKRKCO-GFCCVEGCSA-N	-1	0	319.317	0.817	20	30		DCEDRM
CC(C)[C@H](CNC(=O)[C@H](C)C#N)Nc1ncc(C(=O)[O-])cn1	ZINC001589329181	986162484	/nfs/dbraw/zinc/16/24/84/986162484.db2.gz	LALUILVOENZBKZ-KOLCDFICSA-N	-1	0	305.338	0.887	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O	ZINC001589330144	986170299	/nfs/dbraw/zinc/17/02/99/986170299.db2.gz	ZNJRZEJATUQORS-QPUJVOFHSA-N	-1	0	301.302	0.914	20	30		DCEDRM
C[C@H](C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001589346453	986287368	/nfs/dbraw/zinc/28/73/68/986287368.db2.gz	QRQVBWNJOLVWFK-KLBPJQLPSA-N	-1	0	303.322	0.422	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)NC[C@H](O)CC(=O)[O-]	ZINC001597055553	986531910	/nfs/dbraw/zinc/53/19/10/986531910.db2.gz	ABAFPAZSAWCPCC-SNVBAGLBSA-N	-1	0	307.306	0.914	20	30		DCEDRM
C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1N)n1cnc(C#N)n1	ZINC001589438843	986767435	/nfs/dbraw/zinc/76/74/35/986767435.db2.gz	BWILRPOIOFKNSR-ZETCQYMHSA-N	-1	0	300.278	0.630	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(C1CCC1)S(=O)(=O)c1ccc(C#N)nc1	ZINC001589480131	987015798	/nfs/dbraw/zinc/01/57/98/987015798.db2.gz	XYSQUTVLXIWZDH-VIFPVBQESA-N	-1	0	309.347	0.970	20	30		DCEDRM
CCS(=O)(=O)C1CN(Cc2cccc(C(=O)[O-])c2C#N)C1	ZINC001597208214	987118872	/nfs/dbraw/zinc/11/88/72/987118872.db2.gz	RHPZJASNICWUGH-UHFFFAOYSA-N	-1	0	308.359	0.875	20	30		DCEDRM
CCC(=O)N[C@H](CCSC)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001594708269	987165277	/nfs/dbraw/zinc/16/52/77/987165277.db2.gz	RMGCEVDEELZITR-SNVBAGLBSA-N	-1	0	315.395	0.461	20	30		DCEDRM
C[C@H](C(=O)OCc1cccc(C(=O)[O-])n1)n1cnc(C#N)n1	ZINC001589547965	987273445	/nfs/dbraw/zinc/27/34/45/987273445.db2.gz	VXJPFLFSDNTFIU-MRVPVSSYSA-N	-1	0	301.262	0.547	20	30		DCEDRM
C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001599837740	988771782	/nfs/dbraw/zinc/77/17/82/988771782.db2.gz	QRDHMFDQUPRSSS-MWLCHTKSSA-N	-1	0	301.302	0.500	20	30		DCEDRM
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1Nc1ccnc(C(=O)[O-])n1	ZINC001599848235	988970304	/nfs/dbraw/zinc/97/03/04/988970304.db2.gz	VOBDLRPACHCVCM-ZYHUDNBSSA-N	-1	0	314.345	0.269	20	30		DCEDRM
CCn1cc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)C2CC2)nn1	ZINC001597881164	989705426	/nfs/dbraw/zinc/70/54/26/989705426.db2.gz	VQMQAFOJWDTWKJ-SECBINFHSA-N	-1	0	321.362	0.135	20	30		DCEDRM
CN(C(=O)COC(=O)c1ccncc1C(=O)[O-])C(C)(C)C#N	ZINC001598028696	990241913	/nfs/dbraw/zinc/24/19/13/990241913.db2.gz	HCBMFZBCYQLEAV-UHFFFAOYSA-N	-1	0	305.290	0.697	20	30		DCEDRM
CC(C)(CCN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(=O)[O-]	ZINC001590671346	990383486	/nfs/dbraw/zinc/38/34/86/990383486.db2.gz	VMAXVHPSTBNSCM-GXFFZTMASA-N	-1	0	300.380	0.357	20	30		DCEDRM
CC(C)(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)C(=O)[O-]	ZINC001590879345	990792556	/nfs/dbraw/zinc/79/25/56/990792556.db2.gz	YPRAPDHPJJXGKR-UHFFFAOYSA-N	-1	0	313.291	0.608	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@H](Nc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001590928039	990938548	/nfs/dbraw/zinc/93/85/48/990938548.db2.gz	PEVWFYHDFPSXFN-LBPRGKRZSA-N	-1	0	316.361	0.563	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@@H](C)N(C)c1ccnc(C(=O)[O-])n1	ZINC001590928069	990938725	/nfs/dbraw/zinc/93/87/25/990938725.db2.gz	QHBKTFDIIRNRPN-LLVKDONJSA-N	-1	0	304.350	0.775	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001590961640	991060799	/nfs/dbraw/zinc/06/07/99/991060799.db2.gz	UHNOTDFSMLGXIN-IMSIIYSGSA-N	-1	0	312.322	0.216	20	30		DCEDRM
CC(C)[C@H](NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C(=O)[O-]	ZINC001591001632	991258844	/nfs/dbraw/zinc/25/88/44/991258844.db2.gz	UJNNEZMKRHRNKI-KBPBESRZSA-N	-1	0	301.346	0.970	20	30		DCEDRM
COc1nn(C)cc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599739487	991826686	/nfs/dbraw/zinc/82/66/86/991826686.db2.gz	NEMXDZZDJBZUSU-UHFFFAOYSA-N	-1	0	307.310	0.651	20	30		DCEDRM
CS(=O)(=O)C[C@H]1CCCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001599749599	991972906	/nfs/dbraw/zinc/97/29/06/991972906.db2.gz	TVEVRLFKRAEBIO-JTQLQIEISA-N	-1	0	323.374	0.912	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1cc(C#N)ccn1)C(=O)[O-]	ZINC001591458708	992571678	/nfs/dbraw/zinc/57/16/78/992571678.db2.gz	YIZCDAAFZZBSII-LBPRGKRZSA-N	-1	0	318.333	0.299	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1cscc1C#N)C(=O)[O-]	ZINC001591463607	992581153	/nfs/dbraw/zinc/58/11/53/992581153.db2.gz	WTSTURTYRXAWIP-NSHDSACASA-N	-1	0	323.374	0.965	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001598525263	992711497	/nfs/dbraw/zinc/71/14/97/992711497.db2.gz	DCASRDLLCLVGLI-CYBMUJFWSA-N	-1	0	315.329	0.450	20	30		DCEDRM
CN(c1cnn(C)c1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598546113	992947153	/nfs/dbraw/zinc/94/71/53/992947153.db2.gz	AFDGHOMPLZLPPH-UHFFFAOYSA-N	-1	0	320.330	0.815	20	30		DCEDRM
CN1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598589392	993429796	/nfs/dbraw/zinc/42/97/96/993429796.db2.gz	ZZNZBXDGJKILHI-SNVBAGLBSA-N	-1	0	309.347	0.239	20	30		DCEDRM
CN1N=C(C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCC1=O	ZINC001598634304	994222099	/nfs/dbraw/zinc/22/20/99/994222099.db2.gz	XAUSSTTZOTXPQO-UHFFFAOYSA-N	-1	0	315.285	0.908	20	30		DCEDRM
CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)C#N	ZINC001598645682	994369466	/nfs/dbraw/zinc/36/94/66/994369466.db2.gz	JKQCAMLUUUQQQO-MRVPVSSYSA-N	-1	0	305.290	0.608	20	30		DCEDRM
CC(C)(C)OC(=O)NC[C@@](C)(O)CN(CC#N)CCC(=O)[O-]	ZINC001593406488	995171465	/nfs/dbraw/zinc/17/14/65/995171465.db2.gz	CGUCFCFIBCWIAK-CQSZACIVSA-N	-1	0	315.370	0.562	20	30		DCEDRM
C[C@@H](C#N)C(=O)N(C)C1CC(NC(=O)c2ncccc2O)C1	ZINC001396203948	995257387	/nfs/dbraw/zinc/25/73/87/995257387.db2.gz	CICUHHIYTXGZHW-WHXUTIOJSA-N	-1	0	302.334	0.666	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CC[C@@](O)(CC#N)C1	ZINC001598711553	995355661	/nfs/dbraw/zinc/35/56/61/995355661.db2.gz	HPHWLAAMZZXMSH-CJNGLKHVSA-N	-1	0	318.329	0.949	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1nc(C#N)cs1	ZINC001598770088	995876144	/nfs/dbraw/zinc/87/61/44/995876144.db2.gz	DOYNLFSQRBMROK-WPRPVWTQSA-N	-1	0	309.347	0.853	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(Cc2ccncc2C#N)C1	ZINC001598774014	995911185	/nfs/dbraw/zinc/91/11/85/995911185.db2.gz	DUHBMGONLYXHIQ-AAEUAGOBSA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(C#N)ccn1	ZINC001598777277	995943652	/nfs/dbraw/zinc/94/36/52/995943652.db2.gz	LQSVXQAOMDEWAC-AAEUAGOBSA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)NCC2(C#N)CCC2)C[C@H]1C(=O)[O-]	ZINC001598805753	996184781	/nfs/dbraw/zinc/18/47/81/996184781.db2.gz	AGALZVUIUXJUOW-ZJUUUORDSA-N	-1	0	309.322	0.195	20	30		DCEDRM
C[C@]1(C#N)CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1	ZINC001593742770	996362441	/nfs/dbraw/zinc/36/24/41/996362441.db2.gz	DVIWJBOWDNRSTP-CQSZACIVSA-N	-1	0	302.290	0.480	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)C1	ZINC001593762565	996431812	/nfs/dbraw/zinc/43/18/12/996431812.db2.gz	OKFALCGSGBZEGQ-WBMJQRKESA-N	-1	0	321.377	0.852	20	30		DCEDRM
COC1(C)CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001599087666	997128469	/nfs/dbraw/zinc/12/84/69/997128469.db2.gz	SVQJNAUJEUZQOF-UHFFFAOYSA-N	-1	0	310.331	0.666	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cccc(C#CCO)c1	ZINC001599192019	997139613	/nfs/dbraw/zinc/13/96/13/997139613.db2.gz	FBGSXMWRASZASY-KRWDZBQOSA-N	-1	0	317.341	0.736	20	30		DCEDRM
C[C@@H]1C[C@H](CCNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001466826822	1016115294	/nfs/dbraw/zinc/11/52/94/1016115294.db2.gz	DDUKUZIGKIVICF-GHMZBOCLSA-N	-1	0	320.349	0.142	20	30		DCEDRM
COC[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001599206445	997416779	/nfs/dbraw/zinc/41/67/79/997416779.db2.gz	LIXRJNWBGIKQRZ-LLVKDONJSA-N	-1	0	324.358	0.913	20	30		DCEDRM
CON=Cc1ccc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)cc1	ZINC001599320234	997568525	/nfs/dbraw/zinc/56/85/25/997568525.db2.gz	FEJNHAMGBLJVOK-LLVKDONJSA-N	-1	0	308.290	0.413	20	30		DCEDRM
COc1c(C(=O)[O-])ncnc1N1C[C@@H](C)N(CC#N)[C@H](C)C1	ZINC001599330996	997748466	/nfs/dbraw/zinc/74/84/66/997748466.db2.gz	ARQUCGYMDCTSSY-NXEZZACHSA-N	-1	0	305.338	0.606	20	30		DCEDRM
CO[C@@H]1CCN(S(=O)(=O)CC(C)(C)C#N)[C@@H](C(=O)[O-])C1	ZINC001599123195	997781485	/nfs/dbraw/zinc/78/14/85/997781485.db2.gz	JBHHIJUUDSWRLH-NXEZZACHSA-N	-1	0	304.368	0.430	20	30		DCEDRM
C#CCN(CC#N)C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001467390340	1016162156	/nfs/dbraw/zinc/16/21/56/1016162156.db2.gz	XQYJIBLWYFYKSM-UHFFFAOYSA-N	-1	0	310.317	0.171	20	30		DCEDRM
CO[C@@H]1CN(C(=O)[C@@H](O)c2ccc(C#N)cc2)[C@@](C)(C(=O)[O-])C1	ZINC001599130497	997932747	/nfs/dbraw/zinc/93/27/47/997932747.db2.gz	LFXBNNWCNRNHBA-HEHGZKQESA-N	-1	0	318.329	0.682	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N(C)Cc2nc[nH]n2)cc1C#N	ZINC001467516981	1016178800	/nfs/dbraw/zinc/17/88/00/1016178800.db2.gz	YKQXOQXSSYUWAQ-UHFFFAOYSA-N	-1	0	304.335	0.771	20	30		DCEDRM
COc1cc(C#N)ccc1CN1CC(=O)N(C)C[C@@H]1C(=O)[O-]	ZINC001599349256	998064669	/nfs/dbraw/zinc/06/46/69/998064669.db2.gz	LOAUOBISVGWIAM-GFCCVEGCSA-N	-1	0	303.318	0.294	20	30		DCEDRM
COc1cc(C#N)ccc1OCCN1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001599350118	998078624	/nfs/dbraw/zinc/07/86/24/998078624.db2.gz	DGZLOTPXKKIAFQ-SWLSCSKDSA-N	-1	0	320.345	0.856	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCC#Cc1ccccc1	ZINC001594138731	998412855	/nfs/dbraw/zinc/41/28/55/998412855.db2.gz	OGDDSMIVPKXPQV-TZMCWYRMSA-N	-1	0	314.341	0.476	20	30		DCEDRM
COCCC1N=NC(=S)N1N=Cc1ccc(C(=O)[O-])cn1	ZINC001599266247	998473487	/nfs/dbraw/zinc/47/34/87/998473487.db2.gz	ZDZNOBXLIPCREI-UHFFFAOYSA-N	-1	0	307.335	0.731	20	30		DCEDRM
COc1ccc(C#N)cc1CN1CC(=O)N(C)C[C@H]1C(=O)[O-]	ZINC001599477228	998552830	/nfs/dbraw/zinc/55/28/30/998552830.db2.gz	ZWGYTTWGMVQSFM-LBPRGKRZSA-N	-1	0	303.318	0.294	20	30		DCEDRM
COC(=O)c1cccc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1C#N	ZINC001598996543	998784746	/nfs/dbraw/zinc/78/47/46/998784746.db2.gz	UYXGSFYNPYEMPE-RYUDHWBXSA-N	-1	0	318.329	0.612	20	30		DCEDRM
Cc1occc1CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001468407351	1016251462	/nfs/dbraw/zinc/25/14/62/1016251462.db2.gz	HQAVFRXROVSKLI-UHFFFAOYSA-N	-1	0	317.305	0.221	20	30		DCEDRM
C[C@@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)CN1C(=O)C#CC1CC1	ZINC001594265442	999027521	/nfs/dbraw/zinc/02/75/21/999027521.db2.gz	GNRWPTWZRUDPTJ-ZWNOBZJWSA-N	-1	0	314.345	0.990	20	30		DCEDRM
COCCN(CC#N)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC001468720425	1016273840	/nfs/dbraw/zinc/27/38/40/1016273840.db2.gz	CBZDWVJVDZDMJR-UHFFFAOYSA-N	-1	0	303.278	0.048	20	30		DCEDRM
COC(CN(CCC(=O)[O-])C(=O)C#Cc1ccccc1)OC	ZINC001599047183	999158601	/nfs/dbraw/zinc/15/86/01/999158601.db2.gz	SAKWJLNDCPAYIJ-UHFFFAOYSA-N	-1	0	305.330	0.960	20	30		DCEDRM
C[C@H]1CCCCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001594370259	999394878	/nfs/dbraw/zinc/39/48/78/999394878.db2.gz	JQHHAZYQJCVMDE-LBPRGKRZSA-N	-1	0	321.377	0.852	20	30		DCEDRM
CCc1nc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c(C)o1	ZINC001418536224	1000324163	/nfs/dbraw/zinc/32/41/63/1000324163.db2.gz	JTAJMRNDGILQCJ-UHFFFAOYSA-N	-1	0	317.305	0.109	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)c(=O)[n-]c1=O	ZINC001418545155	1000334556	/nfs/dbraw/zinc/33/45/56/1000334556.db2.gz	KNOXXZIWWZTHLX-OUAUKWLOSA-N	-1	0	302.334	0.373	20	30		DCEDRM
Cc1cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cc(C)c1C#N	ZINC001470933515	1016502815	/nfs/dbraw/zinc/50/28/15/1016502815.db2.gz	GAYWAOIVFHWBSR-ZDUSSCGKSA-N	-1	0	312.333	0.902	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)Cn2nnc3ccccc3c2=O)c1	ZINC001471086416	1016527679	/nfs/dbraw/zinc/52/76/79/1016527679.db2.gz	UDWCAABTVUCANZ-UHFFFAOYSA-N	-1	0	321.296	0.773	20	30		DCEDRM
CC1(C)C[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC001420139698	1001932692	/nfs/dbraw/zinc/93/26/92/1001932692.db2.gz	GWKCHZGRVJSPHY-JTQLQIEISA-N	-1	0	322.390	0.611	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@]23CCC[C@H]2OCC3)c(=O)[n-]c1=O	ZINC001471436495	1016578635	/nfs/dbraw/zinc/57/86/35/1016578635.db2.gz	NNULVNTYSXQFAB-ABAIWWIYSA-N	-1	0	318.333	0.038	20	30		DCEDRM
CC[C@H](CN1CCOCC1)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001471937810	1016694342	/nfs/dbraw/zinc/69/43/42/1016694342.db2.gz	SIHHQAICDDPTEW-CYBMUJFWSA-N	-1	0	318.377	0.808	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCC(=O)OC2CCCCC2)c(C#N)c1=O	ZINC001421126551	1003348993	/nfs/dbraw/zinc/34/89/93/1003348993.db2.gz	YMJUXMPCZDVRIL-UHFFFAOYSA-N	-1	0	320.349	0.623	20	30		DCEDRM
Cc1ccc([C@H](O)[C@@H](C)Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001421164565	1003396308	/nfs/dbraw/zinc/39/63/08/1003396308.db2.gz	BNJWPNGORKZWSQ-ZWNOBZJWSA-N	-1	0	314.345	0.788	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)c1[O-]	ZINC001427126508	1004220448	/nfs/dbraw/zinc/22/04/48/1004220448.db2.gz	BOYMHZJAWUEQJH-SCZZXKLOSA-N	-1	0	319.365	0.550	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](CNC(=O)[C@@H](C)C#N)C(C)(C)C)c1[O-]	ZINC001407451404	1004659232	/nfs/dbraw/zinc/65/92/32/1004659232.db2.gz	FATWYUOIXXYZRI-WCBMZHEXSA-N	-1	0	321.381	0.844	20	30		DCEDRM
N#Cc1cccc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001417597353	1005848785	/nfs/dbraw/zinc/84/87/85/1005848785.db2.gz	OTQKZPPCNXBJPS-UHFFFAOYSA-N	-1	0	309.285	0.721	20	30		DCEDRM
CC(C)C[C@@H]1COCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417645860	1005859349	/nfs/dbraw/zinc/85/93/49/1005859349.db2.gz	HPNVDBBWLFUSFA-GFCCVEGCSA-N	-1	0	320.349	0.094	20	30		DCEDRM
C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417655237	1005861312	/nfs/dbraw/zinc/86/13/12/1005861312.db2.gz	OTLKLOOMFCURFZ-GUYCJALGSA-N	-1	0	324.340	0.667	20	30		DCEDRM
CO[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC[C@@H]1C	ZINC001417715983	1005874488	/nfs/dbraw/zinc/87/44/88/1005874488.db2.gz	DHYVMNKOIJHPRA-JQWIXIFHSA-N	-1	0	320.349	0.094	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N(C)C(C)(C)C(N)=O)cc1C#N	ZINC001417879408	1005913404	/nfs/dbraw/zinc/91/34/04/1005913404.db2.gz	RTSUTZFBLUBPEZ-UHFFFAOYSA-N	-1	0	308.363	0.717	20	30		DCEDRM
C[C@@H]1SCC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001452852853	1007115609	/nfs/dbraw/zinc/11/56/09/1007115609.db2.gz	IPJKJQLKADJLIU-WCBMZHEXSA-N	-1	0	308.363	0.221	20	30		DCEDRM
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001453845772	1008757027	/nfs/dbraw/zinc/75/70/27/1008757027.db2.gz	UIJPPQIHDWAQOC-NUGNTBJXSA-N	-1	0	302.334	0.229	20	30		DCEDRM
CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cc(C#N)ccn1	ZINC001433458051	1008806861	/nfs/dbraw/zinc/80/68/61/1008806861.db2.gz	KAJCXFSFDIYVPX-UHFFFAOYSA-N	-1	0	309.289	0.001	20	30		DCEDRM
C[C@H](c1ccccc1)[C@@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001434446257	1009964256	/nfs/dbraw/zinc/96/42/56/1009964256.db2.gz	HSOCQWLGEHBTFD-MFKMUULPSA-N	-1	0	314.345	0.522	20	30		DCEDRM
C[C@H](C#N)C(=O)NCCN(C(=O)c1cnc[nH]c1=O)C1CC1	ZINC001455926242	1010041092	/nfs/dbraw/zinc/04/10/92/1010041092.db2.gz	AJGPRACHUGNLLS-SECBINFHSA-N	-1	0	303.322	0.063	20	30		DCEDRM
CC[C@@](COC)([N-]S(=O)(=O)CC1(C#N)CC1)C(=O)OC	ZINC001434574237	1010110479	/nfs/dbraw/zinc/11/04/79/1010110479.db2.gz	MMXRLBAYCSFBFN-LBPRGKRZSA-N	-1	0	304.368	0.178	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC1(c2nc(C)no2)CC1	ZINC001434661229	1010167277	/nfs/dbraw/zinc/16/72/77/1010167277.db2.gz	XIBMWENIYNCXCI-VIFPVBQESA-N	-1	0	313.383	0.683	20	30		DCEDRM
C[C@H](NC(=O)CNc1ccc(C#N)cn1)c1nn(C)cc1[O-]	ZINC001456786699	1011461080	/nfs/dbraw/zinc/46/10/80/1011461080.db2.gz	HEQNZBVLAHSKGP-VIFPVBQESA-N	-1	0	300.322	0.682	20	30		DCEDRM
C[C@@H](C[C@H](O)c1ccccc1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001458239285	1012112070	/nfs/dbraw/zinc/11/20/70/1012112070.db2.gz	YMLTYVPXMCRCOU-GWCFXTLKSA-N	-1	0	314.345	0.869	20	30		DCEDRM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC001561429189	1012467756	/nfs/dbraw/zinc/46/77/56/1012467756.db2.gz	GWLFYGPVJRXJIY-VIFPVBQESA-N	-1	0	303.336	0.529	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001562032838	1012486784	/nfs/dbraw/zinc/48/67/84/1012486784.db2.gz	OHPRRUWCESGMBM-UHFFFAOYSA-N	-1	0	314.319	0.571	20	30		DCEDRM
C=CCN(CCOC)C(=O)Nc1n[nH]nc1C(=O)NC1CC1	ZINC001563377706	1012503122	/nfs/dbraw/zinc/50/31/22/1012503122.db2.gz	HKYXAFRYRIWFSA-UHFFFAOYSA-N	-1	0	308.342	0.363	20	30		DCEDRM
CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001446080466	1012592198	/nfs/dbraw/zinc/59/21/98/1012592198.db2.gz	KYZYONSTPYVNCC-INTQDDNPSA-N	-1	0	319.365	0.693	20	30		DCEDRM
COC(=O)c1cnc(C([O-])=C(C#N)C(=O)c2nccn2C)cn1	ZINC001516747719	1017156237	/nfs/dbraw/zinc/15/62/37/1017156237.db2.gz	AVCOILPYKMYVEE-MRVPVSSYSA-N	-1	0	313.273	0.202	20	30		DCEDRM
C#CC[C@@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC=C)C1	ZINC001520453441	1017276980	/nfs/dbraw/zinc/27/69/80/1017276980.db2.gz	OMYIMAKKPLMZEH-GFCCVEGCSA-N	-1	0	312.377	0.928	20	30		DCEDRM
C#CCCCC(=O)N[C@H](CNC(=O)c1[nH]nc(C)c1[O-])C1CC1	ZINC001493529176	1019494644	/nfs/dbraw/zinc/49/46/44/1019494644.db2.gz	YFFRDUCKHXAUEZ-GFCCVEGCSA-N	-1	0	318.377	0.852	20	30		DCEDRM
O=C(C#CC1CC1)NCC[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC001494014817	1019921729	/nfs/dbraw/zinc/92/17/29/1019921729.db2.gz	YNBSSNTVRWTXDK-LBPRGKRZSA-N	-1	0	303.366	0.252	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H](CO)[C@@H]2CCOC2)o1	ZINC000287194800	219373245	/nfs/dbraw/zinc/37/32/45/219373245.db2.gz	DQVBENWQRRNAQM-ZJUUUORDSA-N	-1	0	300.336	0.075	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-]	ZINC000274942831	186446412	/nfs/dbraw/zinc/44/64/12/186446412.db2.gz	FKLOOCMZPUZLTP-MRVPVSSYSA-N	-1	0	317.754	0.462	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCN1C(=O)C(C)C)C(=O)[O-]	ZINC000455879370	240867359	/nfs/dbraw/zinc/86/73/59/240867359.db2.gz	QCMUYCLXWYKWFQ-VXGBXAGGSA-N	-1	0	312.366	0.405	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCN1C(=O)OC(C)(C)C	ZINC000497245856	241270482	/nfs/dbraw/zinc/27/04/82/241270482.db2.gz	UUYYYZCOIHCJBC-SNVBAGLBSA-N	-1	0	316.379	0.465	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccnc3ncnn32)cc1	ZINC000347330481	254149269	/nfs/dbraw/zinc/14/92/69/254149269.db2.gz	LURRLYHVIHUGEU-UHFFFAOYSA-N	-1	0	300.303	0.797	20	30		DCEDRM
CSCCO[N-]C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000280583830	533583109	/nfs/dbraw/zinc/58/31/09/533583109.db2.gz	YUDSSRRMAQXLEB-UHFFFAOYSA-N	-1	0	309.347	0.938	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000085855879	395702255	/nfs/dbraw/zinc/70/22/55/395702255.db2.gz	XEXZSMKFQSQKLN-CYBMUJFWSA-N	-1	0	310.331	0.221	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc3c(c2)NC(=O)CO3)[n-]c1C#N	ZINC000045580549	395764110	/nfs/dbraw/zinc/76/41/10/395764110.db2.gz	YPMKHXIKPSELEP-UHFFFAOYSA-N	-1	0	308.257	0.736	20	30		DCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000048509625	395816541	/nfs/dbraw/zinc/81/65/41/395816541.db2.gz	CPHBRHSONWTELI-UHFFFAOYSA-N	-1	0	311.319	0.701	20	30		DCEDRM
COCC[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230324425	395880799	/nfs/dbraw/zinc/88/07/99/395880799.db2.gz	KMRRXPQHHGTLFX-QMMMGPOBSA-N	-1	0	304.349	0.388	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1	ZINC000273635553	395935352	/nfs/dbraw/zinc/93/53/52/395935352.db2.gz	DDWAIOHUSAPUOB-UHFFFAOYSA-N	-1	0	321.354	0.579	20	30		DCEDRM
COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000067899385	396038081	/nfs/dbraw/zinc/03/80/81/396038081.db2.gz	WWQDLOOJPKUZMN-UHFFFAOYSA-N	-1	0	320.330	0.729	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000159594041	396069735	/nfs/dbraw/zinc/06/97/35/396069735.db2.gz	DOSCLXYZFFZJTP-JTQLQIEISA-N	-1	0	300.292	0.902	20	30		DCEDRM
C[C@H](C[C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1)C(=O)[O-]	ZINC000594574303	396487953	/nfs/dbraw/zinc/48/79/53/396487953.db2.gz	XGPWSXABGXWNES-NEPJUHHUSA-N	-1	0	317.411	0.899	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000581432603	396554509	/nfs/dbraw/zinc/55/45/09/396554509.db2.gz	DIZIRXAEFGFRMU-YUMQZZPRSA-N	-1	0	313.326	0.411	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)N2CCC(CCC(=O)[O-])CC2)n1	ZINC000595263421	396574415	/nfs/dbraw/zinc/57/44/15/396574415.db2.gz	OWUVKACYFLVRSJ-UHFFFAOYSA-N	-1	0	320.353	0.436	20	30		DCEDRM
Cn1c(=O)c(C#N)c(N2CCC[C@H](CCC(=O)[O-])C2)n(C)c1=O	ZINC000595973646	396700644	/nfs/dbraw/zinc/70/06/44/396700644.db2.gz	GJAAPKMQWMGSIN-SNVBAGLBSA-N	-1	0	320.349	0.037	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000563224703	396715423	/nfs/dbraw/zinc/71/54/23/396715423.db2.gz	BIUUTXMFCIYLGD-LBPRGKRZSA-N	-1	0	312.322	0.980	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)cc1F	ZINC000589976403	396732665	/nfs/dbraw/zinc/73/26/65/396732665.db2.gz	CLBKYHQBJHXXJD-UHFFFAOYSA-N	-1	0	309.282	0.320	20	30		DCEDRM
CC1(C)CN(S(=O)(=O)c2cccc(C#N)c2)[C@H](C(=O)[O-])CO1	ZINC000563515036	396744789	/nfs/dbraw/zinc/74/47/89/396744789.db2.gz	ZQIDGRSIMXZESU-LBPRGKRZSA-N	-1	0	324.358	0.811	20	30		DCEDRM
N#CCCn1ncc(C(=O)NCc2nnn[n-]2)c1-c1ccccc1	ZINC000617605787	396761782	/nfs/dbraw/zinc/76/17/82/396761782.db2.gz	OJRSMMRUONEKNZ-UHFFFAOYSA-N	-1	0	322.332	0.907	20	30		DCEDRM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000321161810	396815938	/nfs/dbraw/zinc/81/59/38/396815938.db2.gz	WTYWPAXKYDNEKJ-QMMMGPOBSA-N	-1	0	320.392	0.535	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000634652904	396893276	/nfs/dbraw/zinc/89/32/76/396893276.db2.gz	BRTZDLDVEFNGDF-SNVBAGLBSA-N	-1	0	303.311	0.760	20	30		DCEDRM
C=CCN(C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000634869844	396927448	/nfs/dbraw/zinc/92/74/48/396927448.db2.gz	UZKNEEAPLIEWMZ-UTUOFQBUSA-N	-1	0	315.391	0.689	20	30		DCEDRM
CC(C)(C)[C@H](C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597351240	396948751	/nfs/dbraw/zinc/94/87/51/396948751.db2.gz	PJHMDRSSXQGKRL-NSHDSACASA-N	-1	0	311.363	0.708	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2c(c1)ncn2C)C(=O)[O-]	ZINC000630185547	396955788	/nfs/dbraw/zinc/95/57/88/396955788.db2.gz	CVTKVRUZJFOHEM-GFCCVEGCSA-N	-1	0	303.318	0.959	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)[O-]	ZINC000630318628	396984561	/nfs/dbraw/zinc/98/45/61/396984561.db2.gz	KODKTZAIAKKOKB-QMMMGPOBSA-N	-1	0	318.376	0.545	20	30		DCEDRM
N#CCCC[C@H](N)C(=O)N=c1nc(-c2cccnc2)[n-]s1	ZINC000592228321	397134755	/nfs/dbraw/zinc/13/47/55/397134755.db2.gz	ANGQZRPGTQDKDY-JTQLQIEISA-N	-1	0	302.363	0.982	20	30		DCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)nn1	ZINC000619623503	397163200	/nfs/dbraw/zinc/16/32/00/397163200.db2.gz	WCFFNOAESPRDNN-UHFFFAOYSA-N	-1	0	319.302	0.331	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)CC1	ZINC000592447276	397180694	/nfs/dbraw/zinc/18/06/94/397180694.db2.gz	LMZRZMPAOXCNGS-HTQZYQBOSA-N	-1	0	308.306	0.518	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000592455483	397183292	/nfs/dbraw/zinc/18/32/92/397183292.db2.gz	GALGRUJBLSSVOO-UHFFFAOYSA-N	-1	0	303.384	0.653	20	30		DCEDRM
CN(Cc1ccccc1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602026935	397286151	/nfs/dbraw/zinc/28/61/51/397286151.db2.gz	PUTVAIUXIKJXBG-UHFFFAOYSA-N	-1	0	312.329	0.869	20	30		DCEDRM
C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c2ccccc21	ZINC000602068929	397293712	/nfs/dbraw/zinc/29/37/12/397293712.db2.gz	FEHFVNBHKDOZIA-SNVBAGLBSA-N	-1	0	310.313	0.971	20	30		DCEDRM
N#C[C@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCc2ccccc2C1	ZINC000613841038	397333671	/nfs/dbraw/zinc/33/36/71/397333671.db2.gz	ZASASRYQTROGKY-HNNXBMFYSA-N	-1	0	311.301	0.464	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1ccsc1C#N	ZINC000593269602	397346180	/nfs/dbraw/zinc/34/61/80/397346180.db2.gz	KMPDUOLLNBUDFU-UHFFFAOYSA-N	-1	0	304.349	0.341	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000593269568	397346364	/nfs/dbraw/zinc/34/63/64/397346364.db2.gz	JMZBFVQXJNRSIQ-GHMZBOCLSA-N	-1	0	303.384	0.794	20	30		DCEDRM
CC[C@@H]1[C@@H](C)CCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602145332	397320956	/nfs/dbraw/zinc/32/09/56/397320956.db2.gz	UAPLXMPBTCPYMI-CMPLNLGQSA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CC[C@H](C3CCC3)C2)c(=O)[n-]c1=O	ZINC000602162820	397328659	/nfs/dbraw/zinc/32/86/59/397328659.db2.gz	SDFVGGPPMVTQRI-LBPRGKRZSA-N	-1	0	316.361	0.859	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@@H]3CCCC[C@@H]32)c(=O)[n-]c1=O	ZINC000602167555	397331084	/nfs/dbraw/zinc/33/10/84/397331084.db2.gz	RYHLFFOZMYZIMV-JQWIXIFHSA-N	-1	0	302.334	0.612	20	30		DCEDRM
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000579520401	397577186	/nfs/dbraw/zinc/57/71/86/397577186.db2.gz	FEABLBUXQBLHDY-QWRGUYRKSA-N	-1	0	318.381	0.641	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1[C@@H](C(=O)[O-])CCC1(C)C	ZINC000579844746	397595301	/nfs/dbraw/zinc/59/53/01/397595301.db2.gz	LSDSWPZCCPFZKE-NXEZZACHSA-N	-1	0	303.384	0.793	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc(F)c(F)c2)c(=O)[n-]c1=O	ZINC000603919021	397628289	/nfs/dbraw/zinc/62/82/89/397628289.db2.gz	OPTKPJVAFDZIBC-UHFFFAOYSA-N	-1	0	306.228	0.737	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc(Cl)cc2)c(=O)[n-]c1=O	ZINC000603919180	397628543	/nfs/dbraw/zinc/62/85/43/397628543.db2.gz	ZVRVPPGSDJJMKA-UHFFFAOYSA-N	-1	0	318.720	0.904	20	30		DCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000262378027	158805706	/nfs/dbraw/zinc/80/57/06/158805706.db2.gz	YJFHKYAQLUAYCJ-BMIGLBTASA-N	-1	0	304.302	0.685	20	30		DCEDRM
Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(C#N)[nH]1	ZINC000151363161	287033441	/nfs/dbraw/zinc/03/34/41/287033441.db2.gz	TVGFDJGBJATRHT-UHFFFAOYSA-N	-1	0	310.317	0.769	20	30		DCEDRM
Cc1noc2ncc(S(=O)(=O)[N-]c3nn(C)cc3C#N)cc12	ZINC000123349536	415842085	/nfs/dbraw/zinc/84/20/85/415842085.db2.gz	CNRKKRPEIWGYNS-UHFFFAOYSA-N	-1	0	318.318	0.937	20	30		DCEDRM
CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc(C#N)cc2)s1	ZINC000340955497	416197602	/nfs/dbraw/zinc/19/76/02/416197602.db2.gz	MEQFFGAUGSEQIO-UHFFFAOYSA-N	-1	0	323.359	1.034	20	30		DCEDRM
CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)nc1	ZINC000358806553	416276520	/nfs/dbraw/zinc/27/65/20/416276520.db2.gz	XEMRUUMEXLIKPP-UHFFFAOYSA-N	-1	0	317.330	0.509	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000342153526	416287723	/nfs/dbraw/zinc/28/77/23/416287723.db2.gz	CDGKZDQRBIDKDK-NSHDSACASA-N	-1	0	312.391	0.973	20	30		DCEDRM
CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C#N)[nH]2)c1	ZINC000359699018	416354054	/nfs/dbraw/zinc/35/40/54/416354054.db2.gz	JIQXARNIKFSKFS-UHFFFAOYSA-N	-1	0	320.330	0.752	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000422653594	416444702	/nfs/dbraw/zinc/44/47/02/416444702.db2.gz	KJUGIJKUKJWKBV-LLVKDONJSA-N	-1	0	301.302	0.738	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000422661345	416446117	/nfs/dbraw/zinc/44/61/17/416446117.db2.gz	LPHJAPFNYGUYTG-NSHDSACASA-N	-1	0	305.265	0.711	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000422662132	416446193	/nfs/dbraw/zinc/44/61/93/416446193.db2.gz	MXQYVVCGDWMOOD-LBPRGKRZSA-N	-1	0	301.302	0.881	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cn2)c[nH]1	ZINC000437400371	416583547	/nfs/dbraw/zinc/58/35/47/416583547.db2.gz	KQYJZWJSBYJVBU-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000491815906	416631588	/nfs/dbraw/zinc/63/15/88/416631588.db2.gz	GGSAODYAQPHKCQ-ZDUSSCGKSA-N	-1	0	311.341	0.948	20	30		DCEDRM
COC(=O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)[C@@H](C)O	ZINC000444201274	416818866	/nfs/dbraw/zinc/81/88/66/416818866.db2.gz	YSOTWFYTZKKJMD-MNOVXSKESA-N	-1	0	318.395	0.302	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000564089736	416889760	/nfs/dbraw/zinc/88/97/60/416889760.db2.gz	QBGITNIJGMXXMR-RNFRBKRXSA-N	-1	0	317.289	0.318	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C	ZINC000568001072	417073624	/nfs/dbraw/zinc/07/36/24/417073624.db2.gz	LDXXTQAOAFOJCW-DCAQKATOSA-N	-1	0	303.384	0.650	20	30		DCEDRM
C=CCCCCCN(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000643460353	417214167	/nfs/dbraw/zinc/21/41/67/417214167.db2.gz	VIUWIKUNLSRHMR-GFCCVEGCSA-N	-1	0	312.366	0.503	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000627275267	417324057	/nfs/dbraw/zinc/32/40/57/417324057.db2.gz	GUKGSZSKGIPVGS-NEPJUHHUSA-N	-1	0	312.366	0.265	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(CC(=O)[O-])CC1	ZINC000572885609	417462287	/nfs/dbraw/zinc/46/22/87/417462287.db2.gz	HGULJQPBGKSNNU-LLVKDONJSA-N	-1	0	317.411	0.899	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)[O-]	ZINC000573442430	417471293	/nfs/dbraw/zinc/47/12/93/417471293.db2.gz	IGQJXPYQUQJYNP-QWRGUYRKSA-N	-1	0	306.384	0.209	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)CC(=O)[O-]	ZINC000530383006	417571638	/nfs/dbraw/zinc/57/16/38/417571638.db2.gz	HWIOMSAHHUSZTL-SECBINFHSA-N	-1	0	316.310	0.465	20	30		DCEDRM
C=CCNC(=O)CNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000652112637	417847399	/nfs/dbraw/zinc/84/73/99/417847399.db2.gz	HXNQVJZGYBUWLD-MRXNPFEDSA-N	-1	0	319.361	0.630	20	30		DCEDRM
C=CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@@H](C)COC	ZINC000662910564	417947817	/nfs/dbraw/zinc/94/78/17/417947817.db2.gz	AHMWWWTVTGGVQH-MNOVXSKESA-N	-1	0	300.355	0.215	20	30		DCEDRM
C=CCCN(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000659058261	418051348	/nfs/dbraw/zinc/05/13/48/418051348.db2.gz	MSBMKBYDXHGGOA-UHFFFAOYSA-N	-1	0	308.338	0.676	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000659067937	418053605	/nfs/dbraw/zinc/05/36/05/418053605.db2.gz	GUIRBQIZZNKVIF-UHFFFAOYSA-N	-1	0	306.318	0.571	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000654820142	418191428	/nfs/dbraw/zinc/19/14/28/418191428.db2.gz	ZTMFRSUXWXWFFR-NDBYEHHHSA-N	-1	0	312.366	0.851	20	30		DCEDRM
N#Cc1cccc(F)c1CC(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC000354336559	261205697	/nfs/dbraw/zinc/20/56/97/261205697.db2.gz	OMRWAURTOWVZQA-UHFFFAOYSA-N	-1	0	303.297	0.813	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000362243563	262014327	/nfs/dbraw/zinc/01/43/27/262014327.db2.gz	AXMXJNUHWVOFRP-UHFFFAOYSA-N	-1	0	300.311	0.934	20	30		DCEDRM
CCOC(=O)NCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000496393835	267125479	/nfs/dbraw/zinc/12/54/79/267125479.db2.gz	UJPZGUKDIHESRN-UHFFFAOYSA-N	-1	0	319.277	0.096	20	30		DCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)/C=C\c1cccc(C#N)c1	ZINC000492614272	268136838	/nfs/dbraw/zinc/13/68/38/268136838.db2.gz	PQGOKIJTFUAZOG-WAYWQWQTSA-N	-1	0	316.342	0.810	20	30		DCEDRM
Cn1ccc(/C=C/C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)c1	ZINC000493747138	272207375	/nfs/dbraw/zinc/20/73/75/272207375.db2.gz	BOOSHZDLKIGSAN-NSCUHMNNSA-N	-1	0	316.342	0.810	20	30		DCEDRM
CO[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000547886165	288088457	/nfs/dbraw/zinc/08/84/57/288088457.db2.gz	QDEKNYPXJGFCMG-LLVKDONJSA-N	-1	0	316.310	0.216	20	30		DCEDRM
N#Cc1cc(Cl)ccc1S(=O)(=O)NCCOCC(=O)[O-]	ZINC000548589502	288157900	/nfs/dbraw/zinc/15/79/00/288157900.db2.gz	UZHSSSBVXUEWQA-UHFFFAOYSA-N	-1	0	318.738	0.591	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C1(C(=O)NC2CC2)CCC1)C(=O)[O-]	ZINC000562620729	332609954	/nfs/dbraw/zinc/60/99/54/332609954.db2.gz	PLTWYYVMINTOPE-LLVKDONJSA-N	-1	0	310.350	0.207	20	30		DCEDRM
CCOc1ccc(OCCn2c(=O)[n-]cc(C#N)c2=O)cc1	ZINC000582062284	333195978	/nfs/dbraw/zinc/19/59/78/333195978.db2.gz	BEUBHKAABKPNKB-UHFFFAOYSA-N	-1	0	301.302	0.886	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1	ZINC000355843038	333457913	/nfs/dbraw/zinc/45/79/13/333457913.db2.gz	LIQQTYVBPAUGCF-UHFFFAOYSA-N	-1	0	319.346	0.235	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)CCc1scnc1C)C(=O)[O-]	ZINC000571288682	333703744	/nfs/dbraw/zinc/70/37/44/333703744.db2.gz	GRZQUKZHQRAAOP-JTQLQIEISA-N	-1	0	316.404	0.780	20	30		DCEDRM
CN1CC[C@H](NC(=O)c2ccccc2[N-]S(C)(=O)=O)C1=O	ZINC000330830931	334814350	/nfs/dbraw/zinc/81/43/50/334814350.db2.gz	GXRLJBBXZOYVTH-NSHDSACASA-N	-1	0	311.363	0.593	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-]	ZINC000519536121	335872883	/nfs/dbraw/zinc/87/28/83/335872883.db2.gz	HYFIOESYUSVFQX-WRWGMCAJSA-N	-1	0	315.395	0.650	20	30		DCEDRM
CSc1nc(=NC(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)s[n-]1	ZINC000330013490	336105680	/nfs/dbraw/zinc/10/56/80/336105680.db2.gz	MFXJLJMCZSVDOK-HTQZYQBOSA-N	-1	0	315.424	0.820	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC000420547748	337508006	/nfs/dbraw/zinc/50/80/06/337508006.db2.gz	YQRACCOCSDMTJB-UHFFFAOYSA-N	-1	0	314.407	0.781	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC)C[C@@H](C)C(=O)[O-]	ZINC000571689367	337567579	/nfs/dbraw/zinc/56/75/79/337567579.db2.gz	PVXSRGHIWZHRLM-WDEREUQCSA-N	-1	0	305.400	0.755	20	30		DCEDRM
CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)C(=O)[O-]	ZINC000422660768	337683308	/nfs/dbraw/zinc/68/33/08/337683308.db2.gz	GHSVUSYLXPKLTF-GFCCVEGCSA-N	-1	0	303.318	0.917	20	30		DCEDRM
CC(C)[C@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)C(=O)[O-]	ZINC000422659216	337683312	/nfs/dbraw/zinc/68/33/12/337683312.db2.gz	GHSVUSYLXPKLTF-LBPRGKRZSA-N	-1	0	303.318	0.917	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000422642252	337683358	/nfs/dbraw/zinc/68/33/58/337683358.db2.gz	DHTWDXMOOUSYCX-NEPJUHHUSA-N	-1	0	304.302	0.783	20	30		DCEDRM
COC[C@@](C)(C#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000433969154	338205834	/nfs/dbraw/zinc/20/58/34/338205834.db2.gz	ZMOYYGFEGRVQDI-CYBMUJFWSA-N	-1	0	303.278	0.094	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F	ZINC000490921841	339843901	/nfs/dbraw/zinc/84/39/01/339843901.db2.gz	ACXAXHGMBWDOGO-UHFFFAOYSA-N	-1	0	310.306	0.980	20	30		DCEDRM
C#CCN(CC#CC)S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000491714130	339875802	/nfs/dbraw/zinc/87/58/02/339875802.db2.gz	LZTKCAKQQJPKQE-UHFFFAOYSA-N	-1	0	305.355	0.961	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc2c(c1)OCO2	ZINC000493152765	339918550	/nfs/dbraw/zinc/91/85/50/339918550.db2.gz	LBQVPINWHXBGQS-HWKANZROSA-N	-1	0	308.315	0.788	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1ccc2c(c1)OCCO2	ZINC000493290475	339922187	/nfs/dbraw/zinc/92/21/87/339922187.db2.gz	HIGDVNSRADYKPH-FNORWQNLSA-N	-1	0	321.354	0.940	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000496459378	340005932	/nfs/dbraw/zinc/00/59/32/340005932.db2.gz	WZKYYELAHNCSFZ-SNVBAGLBSA-N	-1	0	318.395	0.617	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)OC)[C@@H](C)CC	ZINC000496780284	340012776	/nfs/dbraw/zinc/01/27/76/340012776.db2.gz	XQJSMNAIPRYHBW-UWVGGRQHSA-N	-1	0	304.368	0.226	20	30		DCEDRM
C=CCO[N-]C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1	ZINC000497034772	340018778	/nfs/dbraw/zinc/01/87/78/340018778.db2.gz	KSFHUYDOBPZHBR-KGLIPLIRSA-N	-1	0	320.345	0.992	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000185039825	340497541	/nfs/dbraw/zinc/49/75/41/340497541.db2.gz	UXILNBVNQOFGBT-UHFFFAOYSA-N	-1	0	313.281	0.920	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000566311177	341553732	/nfs/dbraw/zinc/55/37/32/341553732.db2.gz	BDCKVOTYWWUZAQ-VHSXEESVSA-N	-1	0	305.400	0.802	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000567867163	341637747	/nfs/dbraw/zinc/63/77/47/341637747.db2.gz	HXBAYJXGXVXTHF-GFCCVEGCSA-N	-1	0	306.318	0.767	20	30		DCEDRM
COc1cc(C#N)ccc1[N-]S(=O)(=O)CS(C)(=O)=O	ZINC000130226591	1177392777	/nfs/dbraw/zinc/39/27/77/1177392777.db2.gz	YSIHSHPDWYOLTC-UHFFFAOYSA-N	-1	0	304.349	0.311	20	30		DCEDRM
N#CC1(CS(=O)(=O)NC[C@@H](Cc2cccnc2)C(=O)[O-])CC1	ZINC000275305084	534559793	/nfs/dbraw/zinc/55/97/93/534559793.db2.gz	QVAHKYOTVDNSTH-GFCCVEGCSA-N	-1	0	323.374	0.548	20	30		DCEDRM
Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000275122787	534824364	/nfs/dbraw/zinc/82/43/64/534824364.db2.gz	UEZXJVUPSSVHEO-NSHDSACASA-N	-1	0	314.367	0.386	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000188785845	527402746	/nfs/dbraw/zinc/40/27/46/527402746.db2.gz	CSWFBIDYFIMVBQ-SNVBAGLBSA-N	-1	0	303.322	0.875	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])c1	ZINC000262572329	527450438	/nfs/dbraw/zinc/45/04/38/527450438.db2.gz	CTMRGFXWHNVPSV-STQMWFEESA-N	-1	0	300.314	0.786	20	30		DCEDRM
C=CCC[C@H](NC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)[O-]	ZINC000262781652	527475890	/nfs/dbraw/zinc/47/58/90/527475890.db2.gz	BBYSFCVENIACCR-NSHDSACASA-N	-1	0	317.345	0.876	20	30		DCEDRM
C=CCOCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000679515927	548063634	/nfs/dbraw/zinc/06/36/34/548063634.db2.gz	NLHAIMCSAQHVTE-UHFFFAOYSA-N	-1	0	304.306	0.677	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000735408230	598855149	/nfs/dbraw/zinc/85/51/49/598855149.db2.gz	INQCCPCCMZAFFE-UHFFFAOYSA-N	-1	0	307.335	0.638	20	30		DCEDRM
N#Cc1nc(NC(=O)CCCn2ccnc2)[n-]c1-c1nn[nH]n1	ZINC000737705272	599055397	/nfs/dbraw/zinc/05/53/97/599055397.db2.gz	NDMGSRIBEBOSNV-UHFFFAOYSA-N	-1	0	312.297	0.077	20	30		DCEDRM
N#Cc1cccc(-c2nnc(Cn3cnc(-c4nnn[n-]4)n3)o2)c1	ZINC000737722562	599163184	/nfs/dbraw/zinc/16/31/84/599163184.db2.gz	KMEJFIZRDZZFKT-UHFFFAOYSA-N	-1	0	320.276	0.428	20	30		DCEDRM
N#CCN(CC#N)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000740305560	596966384	/nfs/dbraw/zinc/96/63/84/596966384.db2.gz	OPOZGBRIBLMPCL-ZDUSSCGKSA-N	-1	0	311.301	0.582	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)n(CCC#N)n1	ZINC000821008702	597343556	/nfs/dbraw/zinc/34/35/56/597343556.db2.gz	KDGCKVUVZNNBKJ-NSHDSACASA-N	-1	0	321.337	0.269	20	30		DCEDRM
N#Cc1ccc(OCC(=O)OCc2cn(CC(=O)[O-])nn2)cc1	ZINC000821336124	597361823	/nfs/dbraw/zinc/36/18/23/597361823.db2.gz	MOUIBHQMWKRTMN-UHFFFAOYSA-N	-1	0	316.273	0.357	20	30		DCEDRM
C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000817756933	597463163	/nfs/dbraw/zinc/46/31/63/597463163.db2.gz	GCOABQCKXPOMBO-SECBINFHSA-N	-1	0	313.317	0.871	20	30		DCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NCC(F)(F)F	ZINC000820160886	597617192	/nfs/dbraw/zinc/61/71/92/597617192.db2.gz	KBWDYFIFOYBZOM-QUBYGPBYSA-N	-1	0	310.228	0.601	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC000819864659	597624727	/nfs/dbraw/zinc/62/47/27/597624727.db2.gz	ALUGOAZMHWMYDX-UONOGXRCSA-N	-1	0	307.306	0.343	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)COc1ccc(F)cc1	ZINC000819835470	597637702	/nfs/dbraw/zinc/63/77/02/597637702.db2.gz	VDYBHHXXLORANL-XHDPSFHLSA-N	-1	0	324.308	0.686	20	30		DCEDRM
CCN1C(=S)N=NC1CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820506325	597644462	/nfs/dbraw/zinc/64/44/62/597644462.db2.gz	CBIWIQXTIJGNGD-LBPRGKRZSA-N	-1	0	311.367	0.250	20	30		DCEDRM
CC[C@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCN1CCOC	ZINC000820297090	597648757	/nfs/dbraw/zinc/64/87/57/597648757.db2.gz	LXUCABJZRBXUJC-SWLSCSKDSA-N	-1	0	311.382	0.560	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H]1N1CCOCC1	ZINC000820297147	597651542	/nfs/dbraw/zinc/65/15/42/597651542.db2.gz	NLNDDLSJMDOMKT-IOASZLSFSA-N	-1	0	323.393	0.560	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](Cn2ccnn2)C1	ZINC000819811270	597657961	/nfs/dbraw/zinc/65/79/61/597657961.db2.gz	MPDQURUOIFVOSF-FZMZJTMJSA-N	-1	0	305.338	0.521	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1	ZINC000819857084	597660048	/nfs/dbraw/zinc/66/00/48/597660048.db2.gz	RGPLQAJCMUSIBI-CQSZACIVSA-N	-1	0	315.289	0.605	20	30		DCEDRM
Nc1nc(Cl)c(C=NNCCC(=O)[O-])c(N2CCCC2)n1	ZINC000821368654	597739849	/nfs/dbraw/zinc/73/98/49/597739849.db2.gz	FIGVXAZHSYSPTO-UHFFFAOYSA-N	-1	0	312.761	0.711	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NCC(=O)[O-]	ZINC000820194676	597827700	/nfs/dbraw/zinc/82/77/00/597827700.db2.gz	RRIAQBPGPPIRNF-VIFPVBQESA-N	-1	0	306.274	0.070	20	30		DCEDRM
C[C@H]1CC(=NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)NO1	ZINC000820228707	598057524	/nfs/dbraw/zinc/05/75/24/598057524.db2.gz	SCPDVIIWXIMHJA-JOYOIKCWSA-N	-1	0	316.317	0.944	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCC(N)=O)cc1	ZINC000819856128	598223360	/nfs/dbraw/zinc/22/33/60/598223360.db2.gz	GPSQRBXVTZPTCM-CQSZACIVSA-N	-1	0	305.290	0.494	20	30		DCEDRM
CN(Cc1cccc(C(N)=O)c1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820602237	598225183	/nfs/dbraw/zinc/22/51/83/598225183.db2.gz	QOYSCWUCEZLJNK-HNNXBMFYSA-N	-1	0	303.318	0.748	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(O[C@@H]2CCOC2)CC1	ZINC000819811460	598229486	/nfs/dbraw/zinc/22/94/86/598229486.db2.gz	OZKSULGKYZDHMV-DOMZBBRYSA-N	-1	0	310.350	0.787	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCn1c2ccccc2[nH]c1=O	ZINC000819842918	598229755	/nfs/dbraw/zinc/22/97/55/598229755.db2.gz	WQZJDTYYIKXOSM-OAHLLOKOSA-N	-1	0	316.317	0.863	20	30		DCEDRM
COCCn1cc(CN=Nc2oc(C)nc2-c2nnn[n-]2)cn1	ZINC000821695404	599337604	/nfs/dbraw/zinc/33/76/04/599337604.db2.gz	XOLFMXYSEOKWAU-UHFFFAOYSA-N	-1	0	317.313	0.452	20	30		DCEDRM
C=CCOc1ccc(/C=C/C(=O)N[C@H](CO)C(=O)[O-])cc1OC	ZINC000736114274	599743429	/nfs/dbraw/zinc/74/34/29/599743429.db2.gz	RGQXVJSDYCOGCC-HOSRBBHYSA-N	-1	0	321.329	0.835	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)cc1C	ZINC000823919438	607398824	/nfs/dbraw/zinc/39/88/24/607398824.db2.gz	FQSMOLAXLXXLFM-LBPRGKRZSA-N	-1	0	310.317	0.800	20	30		DCEDRM
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@H](C(=O)[O-])C1	ZINC000736212199	599972129	/nfs/dbraw/zinc/97/21/29/599972129.db2.gz	RDKTUMJTTCVBQM-RYUDHWBXSA-N	-1	0	309.366	0.503	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000738425335	600041147	/nfs/dbraw/zinc/04/11/47/600041147.db2.gz	GGMMIFQGOUQFGL-ZDUSSCGKSA-N	-1	0	319.317	0.584	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nc1	ZINC000739123045	600075914	/nfs/dbraw/zinc/07/59/14/600075914.db2.gz	LXZUAAIJQWZMLP-VXGBXAGGSA-N	-1	0	300.318	0.323	20	30		DCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC000736379567	600207763	/nfs/dbraw/zinc/20/77/63/600207763.db2.gz	DQCBOIKSTOFPFG-RISCZKNCSA-N	-1	0	311.338	0.630	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CCO1	ZINC000739067180	600322444	/nfs/dbraw/zinc/32/24/44/600322444.db2.gz	YIUHKOHLQWXPFG-VIFPVBQESA-N	-1	0	321.264	0.213	20	30		DCEDRM
N#CCN1CCC(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC1	ZINC000739087113	600352953	/nfs/dbraw/zinc/35/29/53/600352953.db2.gz	VSAQUORICSGWFA-ZDUSSCGKSA-N	-1	0	320.393	0.871	20	30		DCEDRM
COc1cc(C=O)ccc1OCC(=O)N(CC#N)CC(=O)[O-]	ZINC000737879856	600404211	/nfs/dbraw/zinc/40/42/11/600404211.db2.gz	VUROCRPUJMNUFB-UHFFFAOYSA-N	-1	0	306.274	0.323	20	30		DCEDRM
CC(=O)N1C[C@@H](C(=O)N(CC#N)CC(=O)[O-])Oc2ccccc21	ZINC000736135826	600405481	/nfs/dbraw/zinc/40/54/81/600405481.db2.gz	GLRXRSCDQFONLE-ZDUSSCGKSA-N	-1	0	317.301	0.237	20	30		DCEDRM
COc1ccc(CC(=O)N(CC#N)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000737982806	600406496	/nfs/dbraw/zinc/40/64/96/600406496.db2.gz	PAQYIABSLPUWBL-UHFFFAOYSA-N	-1	0	307.262	0.583	20	30		DCEDRM
CN(CC(=O)N1CCOCC1)[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737388218	600571444	/nfs/dbraw/zinc/57/14/44/600571444.db2.gz	FKVJHISMWBKRIU-HNNXBMFYSA-N	-1	0	317.345	0.475	20	30		DCEDRM
CCOC(=O)[C@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC000737135400	600794208	/nfs/dbraw/zinc/79/42/08/600794208.db2.gz	JNSBUXUSQRWTIB-ZIAGYGMSSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000825631607	600898133	/nfs/dbraw/zinc/89/81/33/600898133.db2.gz	GUEOZJZWAKQNRG-VIFPVBQESA-N	-1	0	322.292	0.613	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(N2CCOC2=O)ccc1F	ZINC000739078789	600907470	/nfs/dbraw/zinc/90/74/70/600907470.db2.gz	MXOLKOSCQJVYCW-UHFFFAOYSA-N	-1	0	321.264	0.833	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)CN(CC(=O)[O-])C1CCOCC1	ZINC000833066071	601046104	/nfs/dbraw/zinc/04/61/04/601046104.db2.gz	VIQVYNUUQVZBPY-UHFFFAOYSA-N	-1	0	322.365	0.208	20	30		DCEDRM
Cc1cc2ncn(C[C@H](O)CN(CC#N)CC(=O)[O-])c2cc1C	ZINC000832906451	601227513	/nfs/dbraw/zinc/22/75/13/601227513.db2.gz	GIWBRXQPUHYOMZ-CYBMUJFWSA-N	-1	0	316.361	0.924	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000825632359	601286640	/nfs/dbraw/zinc/28/66/40/601286640.db2.gz	YKIFINGWSIGWOZ-UHFFFAOYSA-N	-1	0	314.301	0.305	20	30		DCEDRM
NS(=O)(=O)c1ccc(NN=Cc2ccc(C(=O)[O-])[nH]2)cc1	ZINC000749808739	601334999	/nfs/dbraw/zinc/33/49/99/601334999.db2.gz	YOEQEDUQKMEESA-UHFFFAOYSA-N	-1	0	308.319	0.806	20	30		DCEDRM
NC(=NOCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(F)cc1	ZINC000833078376	601374038	/nfs/dbraw/zinc/37/40/38/601374038.db2.gz	IDTJIESLOSUADK-UHFFFAOYSA-N	-1	0	323.324	0.786	20	30		DCEDRM
C#CCN1CCN(C(=O)COc2cccc(C(=O)[O-])c2)CC1	ZINC000825618863	601388025	/nfs/dbraw/zinc/38/80/25/601388025.db2.gz	FQFCIUFILHOAIX-UHFFFAOYSA-N	-1	0	302.330	0.541	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)ccc1F	ZINC000833071162	601392432	/nfs/dbraw/zinc/39/24/32/601392432.db2.gz	XYHRKUKPBUAHGC-LBPRGKRZSA-N	-1	0	316.285	0.885	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000833073024	601491186	/nfs/dbraw/zinc/49/11/86/601491186.db2.gz	DPAMDLIRCODNFZ-GFCCVEGCSA-N	-1	0	317.301	0.199	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000833067917	601610789	/nfs/dbraw/zinc/61/07/89/601610789.db2.gz	KCEXJHXXIURSRV-ZDUSSCGKSA-N	-1	0	304.302	0.443	20	30		DCEDRM
NC(=O)c1ccc(N=NCc2cc(C(=O)[O-])ccc2O)nn1	ZINC000833085743	601627236	/nfs/dbraw/zinc/62/72/36/601627236.db2.gz	AGDOLZAGRGNEDT-UHFFFAOYSA-N	-1	0	301.262	0.425	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000833067900	601670211	/nfs/dbraw/zinc/67/02/11/601670211.db2.gz	JPYCQFIRKAWZKM-LLVKDONJSA-N	-1	0	304.302	0.905	20	30		DCEDRM
CC(C)(CNC(=O)NCCNc1ncccc1C#N)C(=O)[O-]	ZINC000826580202	601686601	/nfs/dbraw/zinc/68/66/01/601686601.db2.gz	GTYSLTCRPZPXNN-UHFFFAOYSA-N	-1	0	305.338	0.775	20	30		DCEDRM
C=C[C@H](C)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC000825653481	601763591	/nfs/dbraw/zinc/76/35/91/601763591.db2.gz	MHIHGONHNDXGAD-JOYOIKCWSA-N	-1	0	304.302	0.556	20	30		DCEDRM
O=C([O-])C[C@@H]1CN(C(=O)NCC#Cc2ccccc2)CCO1	ZINC000833218715	601764796	/nfs/dbraw/zinc/76/47/96/601764796.db2.gz	ZQVUTSJXQZVVGY-CQSZACIVSA-N	-1	0	302.330	0.923	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)N1CCSC[C@@H]1CC(=O)[O-]	ZINC000825687321	601927102	/nfs/dbraw/zinc/92/71/02/601927102.db2.gz	IGEFLTZGMLEQNR-ZJUUUORDSA-N	-1	0	315.395	0.279	20	30		DCEDRM
Cn1c(NCc2cccc(C(=O)[O-])c2)c(C#N)c(=O)n(C)c1=O	ZINC000821277386	601934439	/nfs/dbraw/zinc/93/44/39/601934439.db2.gz	GZKBDZZPGRMEES-UHFFFAOYSA-N	-1	0	314.301	0.266	20	30		DCEDRM
N#Cc1ccc(N2CCC(NC(=O)CCNC(=O)[O-])CC2)nc1	ZINC000738432703	601998834	/nfs/dbraw/zinc/99/88/34/601998834.db2.gz	PKYKCXJYYGIMCV-UHFFFAOYSA-N	-1	0	317.349	0.696	20	30		DCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)COc1cccc2[nH]ccc21	ZINC000833067842	602205859	/nfs/dbraw/zinc/20/58/59/602205859.db2.gz	YXKABTWKAXHOKT-LLVKDONJSA-N	-1	0	303.318	0.818	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)[C@@H]2CCNC(=O)C2)C(=O)[O-])cc1	ZINC000833072650	602260607	/nfs/dbraw/zinc/26/06/07/602260607.db2.gz	OQSWPZDQLTXNOO-DGCLKSJQSA-N	-1	0	302.286	0.753	20	30		DCEDRM
Cn1cc(NC(=O)NC2CCN(CC#N)CC2)cc1C(=O)[O-]	ZINC000833052002	602379397	/nfs/dbraw/zinc/37/93/97/602379397.db2.gz	SWXUPGQQZFYAKL-UHFFFAOYSA-N	-1	0	305.338	0.833	20	30		DCEDRM
COC(=O)[C@@H](OC(=O)CN(C)C(=O)[O-])c1ccc(C#N)cc1	ZINC000737576774	603111064	/nfs/dbraw/zinc/11/10/64/603111064.db2.gz	HNMXSNAQFIDYFC-LBPRGKRZSA-N	-1	0	306.274	0.925	20	30		DCEDRM
C[C@@H](CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)NC(=O)[O-]	ZINC000824599713	603386426	/nfs/dbraw/zinc/38/64/26/603386426.db2.gz	RLZNMXPAJWEORZ-NSHDSACASA-N	-1	0	317.349	0.648	20	30		DCEDRM
CN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000828085639	603473450	/nfs/dbraw/zinc/47/34/50/603473450.db2.gz	IEQMSOTVVHQHFO-NSHDSACASA-N	-1	0	309.347	0.931	20	30		DCEDRM
CN1CCN(C(=O)c2ccc(C#N)cc2)[C@@H](CNC(=O)[O-])C1	ZINC000828513634	603508321	/nfs/dbraw/zinc/50/83/21/603508321.db2.gz	NSMZKAOOMUGABB-ZDUSSCGKSA-N	-1	0	302.334	0.582	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)CN1CCC[C@@H]1CNC(=O)[O-]	ZINC000831097730	603571875	/nfs/dbraw/zinc/57/18/75/603571875.db2.gz	RXJUBQKNKNNNSX-GFCCVEGCSA-N	-1	0	307.354	0.374	20	30		DCEDRM
CC(C)(C)C(=O)NCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000823754342	603593313	/nfs/dbraw/zinc/59/33/13/603593313.db2.gz	IMDHVJOXILCKNG-JTQLQIEISA-N	-1	0	310.354	0.253	20	30		DCEDRM
C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825465292	603598931	/nfs/dbraw/zinc/59/89/31/603598931.db2.gz	JKADTXJPDCODHM-KOLCDFICSA-N	-1	0	320.305	0.112	20	30		DCEDRM
CC(N=Nc1ccc(C(N)=O)nn1)[C@H]1CCCCN1C(=O)[O-]	ZINC000823532639	603603005	/nfs/dbraw/zinc/60/30/05/603603005.db2.gz	MBDXNTLOGOHNOI-SNVBAGLBSA-N	-1	0	306.326	0.896	20	30		DCEDRM
C[C@H]1CCCN(S(=O)(=O)N(C)CCC#N)[C@@H]1CNC(=O)[O-]	ZINC000825931243	603759055	/nfs/dbraw/zinc/75/90/55/603759055.db2.gz	IKYVXYJCFSSQGM-WDEREUQCSA-N	-1	0	318.399	0.445	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[O-]	ZINC000823456935	603810908	/nfs/dbraw/zinc/81/09/08/603810908.db2.gz	SFUFDVCQIANQRH-CYDGBPFRSA-N	-1	0	322.361	0.979	20	30		DCEDRM
C[C@@H](OC(=O)[C@H]1CCCCN1C(=O)[O-])C(=O)N(C)CCC#N	ZINC000825562730	603814102	/nfs/dbraw/zinc/81/41/02/603814102.db2.gz	XHNWWWYVIGSKFY-GHMZBOCLSA-N	-1	0	311.338	0.823	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)C[C@@H]2CCCN2C(=O)[O-])C1	ZINC000831102908	603916551	/nfs/dbraw/zinc/91/65/51/603916551.db2.gz	YWSNINVOFZBNEN-STQMWFEESA-N	-1	0	308.382	0.871	20	30		DCEDRM
C#CCNC(=O)COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-]	ZINC000823456891	603930263	/nfs/dbraw/zinc/93/02/63/603930263.db2.gz	RTLUMRTZOWIAHE-NWDGAFQWSA-N	-1	0	310.350	0.886	20	30		DCEDRM
C=C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000823883743	607669027	/nfs/dbraw/zinc/66/90/27/607669027.db2.gz	ZHRKZSRGBXOKPS-ZETCQYMHSA-N	-1	0	324.322	0.628	20	30		DCEDRM
Cn1nnc2cc(C(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)ccc21	ZINC000831058408	604068976	/nfs/dbraw/zinc/06/89/76/604068976.db2.gz	GYNHBNUADABCCE-SNVBAGLBSA-N	-1	0	314.305	0.296	20	30		DCEDRM
CN(CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N)c1ccccc1	ZINC000828095190	604072124	/nfs/dbraw/zinc/07/21/24/604072124.db2.gz	BASRNBODTVRBMY-ZDUSSCGKSA-N	-1	0	302.334	0.837	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cc1cn2ccccc2n1	ZINC000831086269	604078467	/nfs/dbraw/zinc/07/84/67/604078467.db2.gz	CXBPKTZREYKCSF-GFCCVEGCSA-N	-1	0	313.317	0.591	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1COc2ccccc21	ZINC000831076745	604083438	/nfs/dbraw/zinc/08/34/38/604083438.db2.gz	RWNAOZHHKIZOBY-JQWIXIFHSA-N	-1	0	301.302	0.877	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCNC(=O)c1ccco1	ZINC000831081898	604084174	/nfs/dbraw/zinc/08/41/74/604084174.db2.gz	CRMDPMQUKYMVSP-SNVBAGLBSA-N	-1	0	320.305	0.114	20	30		DCEDRM
C=CCCCN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1	ZINC000823496824	604097689	/nfs/dbraw/zinc/09/76/89/604097689.db2.gz	PQEXAQLBXNNAOJ-UHFFFAOYSA-N	-1	0	317.411	0.262	20	30		DCEDRM
CN(C(=O)COC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)C(C)(C)C#N	ZINC000827775210	604100861	/nfs/dbraw/zinc/10/08/61/604100861.db2.gz	OSVFTYNTJRUYGM-AWEZNQCLSA-N	-1	0	311.338	0.680	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CCN1C(=O)[O-]	ZINC000825961638	604150724	/nfs/dbraw/zinc/15/07/24/604150724.db2.gz	IZYMRPAFWJNXKW-JTQLQIEISA-N	-1	0	316.317	0.707	20	30		DCEDRM
C[C@H]1CN(C(=O)Nc2nn(C)cc2C#N)CC[C@H]1NC(=O)[O-]	ZINC000826022095	604154024	/nfs/dbraw/zinc/15/40/24/604154024.db2.gz	YYVQDHUOAPGNMV-WCBMZHEXSA-N	-1	0	306.326	0.802	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])cc1	ZINC000831132186	604193456	/nfs/dbraw/zinc/19/34/56/604193456.db2.gz	PLYUYTQOYXICGH-LBPRGKRZSA-N	-1	0	316.317	0.755	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@H](C(=O)[O-])c2ccccc2F)n1	ZINC000833078395	604336088	/nfs/dbraw/zinc/33/60/88/604336088.db2.gz	IUOOCFZGYKBRFO-LBPRGKRZSA-N	-1	0	303.253	0.231	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])cn1	ZINC000823467462	604408210	/nfs/dbraw/zinc/40/82/10/604408210.db2.gz	WVWNYUVLLAOJFX-ZDUSSCGKSA-N	-1	0	302.334	0.087	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CCO1	ZINC000825371192	604450545	/nfs/dbraw/zinc/45/05/45/604450545.db2.gz	DIRQOODKOZFKBF-WPRPVWTQSA-N	-1	0	321.293	0.723	20	30		DCEDRM
CC(C)C[C@@H](C#N)NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000833473918	604539473	/nfs/dbraw/zinc/53/94/73/604539473.db2.gz	JLYWRSJLVXCCQT-VIFPVBQESA-N	-1	0	300.340	0.184	20	30		DCEDRM
C#CCOCCC(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000833363976	604553995	/nfs/dbraw/zinc/55/39/95/604553995.db2.gz	GPLAEDZVQPYCKI-ZDUSSCGKSA-N	-1	0	305.330	0.792	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000824054748	604802477	/nfs/dbraw/zinc/80/24/77/604802477.db2.gz	CAPKUMSWWYBPIF-QWHCGFSZSA-N	-1	0	324.381	0.058	20	30		DCEDRM
C=C(C)COCCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000823481058	604902580	/nfs/dbraw/zinc/90/25/80/604902580.db2.gz	WOMCVGCEHLEAIW-UHFFFAOYSA-N	-1	0	313.398	0.770	20	30		DCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNc1nc2[nH][nH]cc-2c(=O)n1	ZINC000833406085	605039609	/nfs/dbraw/zinc/03/96/09/605039609.db2.gz	LHLKAMPKOIPCCI-SSDOTTSWSA-N	-1	0	315.293	0.325	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833379032	605174142	/nfs/dbraw/zinc/17/41/42/605174142.db2.gz	VKLLFVPXRGZSNM-CQSZACIVSA-N	-1	0	320.345	0.944	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N(C)[C@H](C)CNC(=O)[O-]	ZINC000829839143	605208762	/nfs/dbraw/zinc/20/87/62/605208762.db2.gz	CTCRLJOAPPAUDF-SECBINFHSA-N	-1	0	318.333	0.920	20	30		DCEDRM
N#CCCCNC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000833965304	605349845	/nfs/dbraw/zinc/34/98/45/605349845.db2.gz	IJVGGRSQJUUEGS-UHFFFAOYSA-N	-1	0	306.326	0.627	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000833366181	605420565	/nfs/dbraw/zinc/42/05/65/605420565.db2.gz	KKYSXPDABHXAOU-UHFFFAOYSA-N	-1	0	313.331	0.322	20	30		DCEDRM
C#CCOCCNC(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC000833366014	605431149	/nfs/dbraw/zinc/43/11/49/605431149.db2.gz	BNTVHOJWFOACQL-UHFFFAOYSA-N	-1	0	306.318	0.713	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000833366260	605497898	/nfs/dbraw/zinc/49/78/98/605497898.db2.gz	OFKQYHDSSLDBJQ-UHFFFAOYSA-N	-1	0	324.720	0.743	20	30		DCEDRM
C[C@@H]1C[C@@H](NC(=O)[O-])CCN1S(=O)(=O)N(C)CCC#N	ZINC000825843516	605542430	/nfs/dbraw/zinc/54/24/30/605542430.db2.gz	APLGFEFFDSQXFX-ZJUUUORDSA-N	-1	0	304.372	0.197	20	30		DCEDRM
C#CCNC(=O)c1ccccc1NC(=O)c1cnc(C(=O)[O-])cn1	ZINC000833365070	605562789	/nfs/dbraw/zinc/56/27/89/605562789.db2.gz	AZLUXLOCBBQUEW-UHFFFAOYSA-N	-1	0	324.296	0.790	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@H](O)COc1ccc(F)cc1	ZINC000833966335	605685357	/nfs/dbraw/zinc/68/53/57/605685357.db2.gz	KKRGUPPVQBSMCK-OSMZGAPFSA-N	-1	0	323.324	0.657	20	30		DCEDRM
N#Cc1cccc(C(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1	ZINC000833977318	605722398	/nfs/dbraw/zinc/72/23/98/605722398.db2.gz	QJBQLGRCHMOTSB-NEPJUHHUSA-N	-1	0	318.285	0.397	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)NCC1CN(C(=O)[O-])C1	ZINC000833901056	605779630	/nfs/dbraw/zinc/77/96/30/605779630.db2.gz	DEAKOLMIAXBLDF-UHFFFAOYSA-N	-1	0	316.317	0.531	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])cc1	ZINC000833972508	605838230	/nfs/dbraw/zinc/83/82/30/605838230.db2.gz	DMMJTWZMUCDDFH-QWHCGFSZSA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H](NC(=O)[O-])C1CC1	ZINC000833974952	605921057	/nfs/dbraw/zinc/92/10/57/605921057.db2.gz	PAAMFVBQRYMUSA-GFCCVEGCSA-N	-1	0	324.362	0.664	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)ccc1F	ZINC000833975487	605940711	/nfs/dbraw/zinc/94/07/11/605940711.db2.gz	XUIZJJBVUIQENT-UHFFFAOYSA-N	-1	0	306.253	0.114	20	30		DCEDRM
Cn1ncc2c1ncn(N=Cc1cccnc1NC(=O)[O-])c2=O	ZINC000833961579	605955499	/nfs/dbraw/zinc/95/54/99/605955499.db2.gz	LPPJZPLDETZIJC-UHFFFAOYSA-N	-1	0	313.277	0.497	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[C@@H](CC(F)F)NC(=O)[O-])CCN1C1CC1	ZINC000833969000	606045850	/nfs/dbraw/zinc/04/58/50/606045850.db2.gz	ZCBOWBKUDJQWSX-VHSXEESVSA-N	-1	0	316.308	0.477	20	30		DCEDRM
N#CCN1CCC(OC(=O)[C@H](CC(F)F)NC(=O)[O-])CC1	ZINC000833966356	606090195	/nfs/dbraw/zinc/09/01/95/606090195.db2.gz	DQCJXHKEYIVJOA-VIFPVBQESA-N	-1	0	305.281	0.809	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)s1	ZINC000821691393	606176370	/nfs/dbraw/zinc/17/63/70/606176370.db2.gz	SLAYSDBMXFCHBJ-ZETCQYMHSA-N	-1	0	320.334	0.013	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc(-c2nn[nH]n2)cn1C	ZINC000820131285	606406651	/nfs/dbraw/zinc/40/66/51/606406651.db2.gz	BJBTWMZNXZBSJQ-SECBINFHSA-N	-1	0	301.310	0.052	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cc(C(N)=O)cs2)o1	ZINC000822424625	606702994	/nfs/dbraw/zinc/70/29/94/606702994.db2.gz	XXHYPGZAMVVVRV-UHFFFAOYSA-N	-1	0	318.322	0.770	20	30		DCEDRM
C#CCOc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1	ZINC000819709640	607214902	/nfs/dbraw/zinc/21/49/02/607214902.db2.gz	NKMAUOXSHPVYIM-UHFFFAOYSA-N	-1	0	324.304	0.109	20	30		DCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(-c2nn[nH]n2)s1	ZINC000823962222	608092162	/nfs/dbraw/zinc/09/21/62/608092162.db2.gz	HTUAUWJTBQDBQT-UHFFFAOYSA-N	-1	0	317.338	0.963	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCC1=O	ZINC000824864312	608116820	/nfs/dbraw/zinc/11/68/20/608116820.db2.gz	AGOKIYFDZAYJCN-NKWVEPMBSA-N	-1	0	314.309	0.405	20	30		DCEDRM
CC(C)S(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1	ZINC000049417568	657458751	/nfs/dbraw/zinc/45/87/51/657458751.db2.gz	SALCJSRMOYSWQY-UHFFFAOYSA-N	-1	0	300.336	0.859	20	30		DCEDRM
C#CC1(O)CN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1	ZINC000890527108	657590021	/nfs/dbraw/zinc/59/00/21/657590021.db2.gz	LMQPEUMALMUJFY-UHFFFAOYSA-N	-1	0	316.235	0.278	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)CC)c1	ZINC000772712383	665522082	/nfs/dbraw/zinc/52/20/82/665522082.db2.gz	AEVJTAWYSNZUQV-UHFFFAOYSA-N	-1	0	317.388	0.726	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)c1[O-]	ZINC000969803680	658156745	/nfs/dbraw/zinc/15/67/45/658156745.db2.gz	ASGFKMKCCMYCPY-INTQDDNPSA-N	-1	0	317.349	0.399	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1	ZINC000971290237	658475731	/nfs/dbraw/zinc/47/57/31/658475731.db2.gz	ZWFMLBWCDVRBRN-JTQLQIEISA-N	-1	0	315.337	0.057	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1	ZINC000971290238	658475987	/nfs/dbraw/zinc/47/59/87/658475987.db2.gz	ZWFMLBWCDVRBRN-SNVBAGLBSA-N	-1	0	315.337	0.057	20	30		DCEDRM
C=CCN1CCO[C@@]2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)C1	ZINC000972345137	658597352	/nfs/dbraw/zinc/59/73/52/658597352.db2.gz	BEWJHUBIXXVJCC-HNNXBMFYSA-N	-1	0	306.366	0.527	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC000972371638	658635695	/nfs/dbraw/zinc/63/56/95/658635695.db2.gz	APTAVLCSUNUEOJ-TUAOUCFPSA-N	-1	0	321.381	0.134	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000776146925	659404486	/nfs/dbraw/zinc/40/44/86/659404486.db2.gz	ROYRSRCUMFGTIH-UHFFFAOYSA-N	-1	0	300.296	0.532	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC[C@H]1CCCO1	ZINC000893714568	661368515	/nfs/dbraw/zinc/36/85/15/661368515.db2.gz	YLUBDVDSRCMOSR-NWDGAFQWSA-N	-1	0	305.396	0.983	20	30		DCEDRM
COCCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000048518751	661924441	/nfs/dbraw/zinc/92/44/41/661924441.db2.gz	ZMEPCCKJWLIDOL-UHFFFAOYSA-N	-1	0	303.340	0.196	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CC[C@H](C2CC2)O1)C(=O)[O-]	ZINC000929024069	662788317	/nfs/dbraw/zinc/78/83/17/662788317.db2.gz	IQVYYKDVQASTCE-RWMBFGLXSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CCNC(=O)Cc1ccccc1	ZINC000191259099	662962010	/nfs/dbraw/zinc/96/20/10/662962010.db2.gz	GHOZPECKRHFLKV-UHFFFAOYSA-N	-1	0	304.346	0.835	20	30		DCEDRM
C[C@@H]1C[C@H](NCC#N)CN1C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000989672950	662971291	/nfs/dbraw/zinc/97/12/91/662971291.db2.gz	RJATYGOMCPOHIJ-BDAKNGLRSA-N	-1	0	301.306	0.645	20	30		DCEDRM
C=CCNc1ncc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)s1	ZINC000899031856	663119590	/nfs/dbraw/zinc/11/95/90/663119590.db2.gz	CAOLYEHBIPXYBF-SSDOTTSWSA-N	-1	0	309.351	0.668	20	30		DCEDRM
CCn1nccc1S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899925254	663201226	/nfs/dbraw/zinc/20/12/26/663201226.db2.gz	AXRFYKYGVUGEMW-NSHDSACASA-N	-1	0	311.363	0.392	20	30		DCEDRM
C[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899930016	663201777	/nfs/dbraw/zinc/20/17/77/663201777.db2.gz	NWHUMCDWRZVXAS-OLZOCXBDSA-N	-1	0	314.407	0.906	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)ccc1C#N	ZINC000899938828	663203019	/nfs/dbraw/zinc/20/30/19/663203019.db2.gz	ZFDOPASXHIHRAZ-ITGUQSILSA-N	-1	0	306.343	0.818	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1C=NNC[C@@H]1COc2ccccc2O1	ZINC000901268772	663336196	/nfs/dbraw/zinc/33/61/96/663336196.db2.gz	ATWXJBJLIZBSSE-LLVKDONJSA-N	-1	0	316.317	0.882	20	30		DCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC000901989207	663377385	/nfs/dbraw/zinc/37/73/85/663377385.db2.gz	JWIHNAVCCRFBGC-NWDGAFQWSA-N	-1	0	313.350	0.834	20	30		DCEDRM
C=CCCS(=O)(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC000903031635	663444739	/nfs/dbraw/zinc/44/47/39/663444739.db2.gz	CIEWPAFPXUTWMT-QWKFWESOSA-N	-1	0	303.380	0.894	20	30		DCEDRM
C=C(C)COCCNC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000905535941	663561817	/nfs/dbraw/zinc/56/18/17/663561817.db2.gz	FGRHJODRJLLGNR-VXGBXAGGSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000907014579	663660298	/nfs/dbraw/zinc/66/02/98/663660298.db2.gz	JBERSZAWDNLDOL-SNVBAGLBSA-N	-1	0	313.306	0.547	20	30		DCEDRM
C=CCN([C@@H](C)COC)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000907039423	663662596	/nfs/dbraw/zinc/66/25/96/663662596.db2.gz	PVQOIHJWNRUZDP-JTQLQIEISA-N	-1	0	316.379	0.935	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)C1	ZINC000907128993	663669908	/nfs/dbraw/zinc/66/99/08/663669908.db2.gz	UUPBKSJFMGCHGV-UHFFFAOYSA-N	-1	0	309.343	0.316	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)NCC(C)(C)N1CCOCC1)C(=O)[O-]	ZINC000908748028	663767860	/nfs/dbraw/zinc/76/78/60/663767860.db2.gz	UDQQEMCIEKVTCJ-LBPRGKRZSA-N	-1	0	313.398	0.816	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCN(CC(F)(F)F)C1	ZINC000908896710	663774543	/nfs/dbraw/zinc/77/45/43/663774543.db2.gz	RTMCJMVUUZELIW-SECBINFHSA-N	-1	0	309.288	0.905	20	30		DCEDRM
C#CCSCCNC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000909051879	663779811	/nfs/dbraw/zinc/77/98/11/663779811.db2.gz	GWRSRZOBGXLJEB-WDEREUQCSA-N	-1	0	300.380	0.626	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000909245339	663787769	/nfs/dbraw/zinc/78/77/69/663787769.db2.gz	CNTSMUWGGCMARM-CYDGBPFRSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1cc(OC)c(OC)c(OC)c1)C(=O)[O-]	ZINC000910052350	663837314	/nfs/dbraw/zinc/83/73/14/663837314.db2.gz	UXPDSPUPGMMKIB-LLVKDONJSA-N	-1	0	321.329	0.848	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1ccccc1O[C@H]1CCOC1)C(=O)[O-]	ZINC000910050000	663841088	/nfs/dbraw/zinc/84/10/88/663841088.db2.gz	BOFHXWARTDZBEJ-UONOGXRCSA-N	-1	0	317.341	0.990	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)COCc1nccn1C)C(=O)[O-]	ZINC000910265619	663862086	/nfs/dbraw/zinc/86/20/86/663862086.db2.gz	IKNNIAGICYVTEC-VIFPVBQESA-N	-1	0	301.730	0.649	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CN(C(=O)COc2ccc(C#N)cc2)CCO1	ZINC000910318336	663868732	/nfs/dbraw/zinc/86/87/32/663868732.db2.gz	JJGIFISUGOWFGF-HNNXBMFYSA-N	-1	0	304.302	0.639	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC000910924870	663956401	/nfs/dbraw/zinc/95/64/01/663956401.db2.gz	FXPGCRPFTFTTTL-JQWIXIFHSA-N	-1	0	306.366	0.846	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000911014668	663971565	/nfs/dbraw/zinc/97/15/65/663971565.db2.gz	JQFNMWDYIQFAOZ-QWHCGFSZSA-N	-1	0	324.377	0.265	20	30		DCEDRM
C=C[C@H](O)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C	ZINC000911316464	664032005	/nfs/dbraw/zinc/03/20/05/664032005.db2.gz	YKBNPNXTWHGWKI-FZMZJTMJSA-N	-1	0	304.346	0.969	20	30		DCEDRM
C[Si](C)(C)C#CCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000912332405	664160428	/nfs/dbraw/zinc/16/04/28/664160428.db2.gz	NQXAEGVHYYSENG-UHFFFAOYSA-N	-1	0	317.425	0.458	20	30		DCEDRM
CC#CCN1CC(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC001030624493	664609853	/nfs/dbraw/zinc/60/98/53/664609853.db2.gz	HQKWDWJHMSWOND-UHFFFAOYSA-N	-1	0	304.394	0.199	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OCCOC)cc1	ZINC000732494853	664938430	/nfs/dbraw/zinc/93/84/30/664938430.db2.gz	OXMDRCBYEKUEKW-CQSZACIVSA-N	-1	0	320.345	0.797	20	30		DCEDRM
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1cccc(F)c1	ZINC000732909044	664973687	/nfs/dbraw/zinc/97/36/87/664973687.db2.gz	WTAPZLZLMDXCOD-GFCCVEGCSA-N	-1	0	324.333	0.405	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccc(C(=O)OC)c1	ZINC000916870514	665098125	/nfs/dbraw/zinc/09/81/25/665098125.db2.gz	IUCYBUKYQRFVNX-CYBMUJFWSA-N	-1	0	318.329	0.948	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)OCCCO2	ZINC000916892206	665099389	/nfs/dbraw/zinc/09/93/89/665099389.db2.gz	IXTNZCJFIAQMRK-GFCCVEGCSA-N	-1	0	318.329	0.933	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(-n2cnnn2)c(C)c1	ZINC000916920549	665100953	/nfs/dbraw/zinc/10/09/53/665100953.db2.gz	LUCITMLDXBABNX-GFCCVEGCSA-N	-1	0	310.317	0.595	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1	ZINC000917426134	665132331	/nfs/dbraw/zinc/13/23/31/665132331.db2.gz	HXFANGYYDQZFGV-LBPRGKRZSA-N	-1	0	314.345	0.875	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)c1[O-]	ZINC001001451657	666059340	/nfs/dbraw/zinc/05/93/40/666059340.db2.gz	ABMYXMSJCYYILV-UHFFFAOYSA-N	-1	0	302.334	0.025	20	30		DCEDRM
C#CCN1CC[C@H](N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001033584335	666768796	/nfs/dbraw/zinc/76/87/96/666768796.db2.gz	ZLHHTIQFSWQIIE-JTQLQIEISA-N	-1	0	300.318	0.708	20	30		DCEDRM
N#CCOc1ccc(CC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc1	ZINC000733723287	666808418	/nfs/dbraw/zinc/80/84/18/666808418.db2.gz	RCQODGVKBGGWFN-ZDUSSCGKSA-N	-1	0	324.358	0.366	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc1	ZINC000733724087	666808655	/nfs/dbraw/zinc/80/86/55/666808655.db2.gz	ZHRWYTAVNKAYGA-LBPRGKRZSA-N	-1	0	310.331	0.172	20	30		DCEDRM
Cn1ncc(I)c1C=NNCC(=O)[O-]	ZINC000863116868	667112416	/nfs/dbraw/zinc/11/24/16/667112416.db2.gz	BKRCSBFWWLTMTP-UHFFFAOYSA-N	-1	0	308.079	0.033	20	30		DCEDRM
O=C([O-])COc1ccc(C=NN2CCOC2=O)cc1[N+](=O)[O-]	ZINC000863163175	667114814	/nfs/dbraw/zinc/11/48/14/667114814.db2.gz	RMCSPGRBRSHWRB-UHFFFAOYSA-N	-1	0	309.234	0.844	20	30		DCEDRM
CC(CCc1ccc(OCC(=O)[O-])cc1)N=NC1=NCC(=O)N1	ZINC000863176951	667116096	/nfs/dbraw/zinc/11/60/96/667116096.db2.gz	GVOUGRGVZFZGOW-UHFFFAOYSA-N	-1	0	318.333	0.534	20	30		DCEDRM
N#Cc1cn(C2CN(C(=S)NC3CCC3)C2)c(=O)[n-]c1=O	ZINC000863209048	667117689	/nfs/dbraw/zinc/11/76/89/667117689.db2.gz	DPXUFPUJAWQSII-UHFFFAOYSA-N	-1	0	305.363	0.104	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-]	ZINC000863421161	667142466	/nfs/dbraw/zinc/14/24/66/667142466.db2.gz	VPSIGFKVUKIZKL-JTQLQIEISA-N	-1	0	311.787	0.928	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000119653203	667188917	/nfs/dbraw/zinc/18/89/17/667188917.db2.gz	LWSIBPQTSBKILI-NSHDSACASA-N	-1	0	313.273	0.849	20	30		DCEDRM
C[C@H]1CC/C(=C/C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1	ZINC000863934422	667195137	/nfs/dbraw/zinc/19/51/37/667195137.db2.gz	JISDZHPANVCSEA-QIMWGGGBSA-N	-1	0	314.345	0.950	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](OCC)[C@H]1CCOC1)C(=O)[O-]	ZINC000864145265	667219204	/nfs/dbraw/zinc/21/92/04/667219204.db2.gz	HKOORIWCLZFBCI-SDDRHHMPSA-N	-1	0	301.339	0.200	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](OCC)C1CCOCC1)C(=O)[O-]	ZINC000864146802	667219955	/nfs/dbraw/zinc/21/99/55/667219955.db2.gz	YMVOREUYALDUQO-CHWSQXEVSA-N	-1	0	315.366	0.590	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)/C=C\c1cncc(C(=O)NC)c1)C(=O)[O-]	ZINC000864188327	667222656	/nfs/dbraw/zinc/22/26/56/667222656.db2.gz	SPVHLTWQSMYPIZ-DSYXLKISSA-N	-1	0	317.345	0.990	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000864186992	667222946	/nfs/dbraw/zinc/22/29/46/667222946.db2.gz	BJHPPPRMSHMACU-UWVGGRQHSA-N	-1	0	321.420	0.442	20	30		DCEDRM
C=CCN1CCC(NS(=O)(=O)N=S2(=O)CCCC2)CC1	ZINC000866743988	667393356	/nfs/dbraw/zinc/39/33/56/667393356.db2.gz	ARGCKLZJWHATGL-UHFFFAOYSA-N	-1	0	321.468	0.733	20	30		DCEDRM
CC[C@](C)(CO)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000838209201	667678964	/nfs/dbraw/zinc/67/89/64/667678964.db2.gz	LNRZRJNNSYAVQE-CQSZACIVSA-N	-1	0	304.306	0.758	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn(CC2CC2)c1	ZINC000870134664	667712764	/nfs/dbraw/zinc/71/27/64/667712764.db2.gz	RWAFUITXEJNYQP-CYBMUJFWSA-N	-1	0	304.350	0.768	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C)c(C(=O)OC)c1	ZINC000870330547	667731610	/nfs/dbraw/zinc/73/16/10/667731610.db2.gz	DLLUMWDXGVULQO-UHFFFAOYSA-N	-1	0	309.343	0.865	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1	ZINC000870831929	667764897	/nfs/dbraw/zinc/76/48/97/667764897.db2.gz	LWKIFRITPJAPNF-JTQLQIEISA-N	-1	0	314.407	0.798	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C\COC2CCOCC2)CC1	ZINC000870840568	667766002	/nfs/dbraw/zinc/76/60/02/667766002.db2.gz	XDFXCWDJVMDBDR-ARJAWSKDSA-N	-1	0	315.391	0.903	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1	ZINC000887052361	667842035	/nfs/dbraw/zinc/84/20/35/667842035.db2.gz	SOYFZFVSTUYDNJ-HNNXBMFYSA-N	-1	0	324.377	0.239	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F	ZINC000871940805	667858675	/nfs/dbraw/zinc/85/86/75/667858675.db2.gz	XQUXYHOIODNJLW-UHFFFAOYSA-N	-1	0	319.285	0.591	20	30		DCEDRM
Cn1cnc(S(=O)(=O)[N-]c2cnn(CC#N)c2)c1Cl	ZINC000747407779	667902167	/nfs/dbraw/zinc/90/21/67/667902167.db2.gz	UTFXCVWTUQDGCH-UHFFFAOYSA-N	-1	0	300.731	0.594	20	30		DCEDRM
COCCO[N-]C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000748768024	667936820	/nfs/dbraw/zinc/93/68/20/667936820.db2.gz	KATRQFFIHDSNQW-UHFFFAOYSA-N	-1	0	312.347	0.167	20	30		DCEDRM
O=c1nc(NN=Cc2cc([O-])ccc2[N+](=O)[O-])nc2[nH][nH]cc1-2	ZINC000751132411	667996641	/nfs/dbraw/zinc/99/66/41/667996641.db2.gz	DAZFQQLDBZBMKF-UHFFFAOYSA-N	-1	0	315.249	0.492	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCC(=O)N2C)n1	ZINC000752014393	668011493	/nfs/dbraw/zinc/01/14/93/668011493.db2.gz	SIBONCOMKVPCQC-UWVGGRQHSA-N	-1	0	321.358	0.792	20	30		DCEDRM
CC(=NNc1nc2[nH][nH]cc-2c(=O)n1)c1ccccc1C(=O)[O-]	ZINC000757465328	668136331	/nfs/dbraw/zinc/13/63/31/668136331.db2.gz	LZCDDHMGCWKMLP-UHFFFAOYSA-N	-1	0	312.289	0.966	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)NC)cc1	ZINC000762019581	668343500	/nfs/dbraw/zinc/34/35/00/668343500.db2.gz	BDJVIENHBFUHKB-UHFFFAOYSA-N	-1	0	312.347	0.308	20	30		DCEDRM
CC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000764766107	668461609	/nfs/dbraw/zinc/46/16/09/668461609.db2.gz	RTGAMAUQPHGGQG-UHFFFAOYSA-N	-1	0	315.738	0.153	20	30		DCEDRM
COC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000766838968	668548118	/nfs/dbraw/zinc/54/81/18/668548118.db2.gz	XAXYACNMTIJSHW-UHFFFAOYSA-N	-1	0	322.342	0.457	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCOC1	ZINC000766988941	668556002	/nfs/dbraw/zinc/55/60/02/668556002.db2.gz	UDLSACZTQPDOTN-AWEZNQCLSA-N	-1	0	324.358	0.798	20	30		DCEDRM
CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000766988591	668556256	/nfs/dbraw/zinc/55/62/56/668556256.db2.gz	QYCAAIWTGORTBL-SECBINFHSA-N	-1	0	312.347	0.797	20	30		DCEDRM
COc1ccc(CCNN=Cc2cn(CC(=O)[O-])nn2)cc1	ZINC000768484287	668611818	/nfs/dbraw/zinc/61/18/18/668611818.db2.gz	GYCOUEQKLAIFAQ-UHFFFAOYSA-N	-1	0	303.322	0.538	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1nccn2c(Br)cnc12	ZINC000770106495	668679312	/nfs/dbraw/zinc/67/93/12/668679312.db2.gz	MMMRWFHVJWAWIY-LURJTMIESA-N	-1	0	322.122	0.560	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])cn1C	ZINC000770872047	668720872	/nfs/dbraw/zinc/72/08/72/668720872.db2.gz	QPSBOBAPDXKHEH-VIFPVBQESA-N	-1	0	301.262	0.872	20	30		DCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c(=O)[nH]1	ZINC000771073271	668730124	/nfs/dbraw/zinc/73/01/24/668730124.db2.gz	GSQSXHJZKOIQFT-UHFFFAOYSA-N	-1	0	309.347	0.849	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(OC)c1	ZINC000772713692	668781881	/nfs/dbraw/zinc/78/18/81/668781881.db2.gz	UCWBFAIMODFIBJ-UHFFFAOYSA-N	-1	0	300.292	0.849	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C)c(S(C)(=O)=O)c1	ZINC000772718858	668782356	/nfs/dbraw/zinc/78/23/56/668782356.db2.gz	ZAIIIXGLLBYFAF-UHFFFAOYSA-N	-1	0	317.388	0.644	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000772721793	668782731	/nfs/dbraw/zinc/78/27/31/668782731.db2.gz	WWAJNGIKBSASJH-UHFFFAOYSA-N	-1	0	322.342	0.305	20	30		DCEDRM
CC(=NNc1nc2[nH][nH]cc-2c(=O)n1)c1ccc(C(=O)[O-])o1	ZINC000773052227	668791694	/nfs/dbraw/zinc/79/16/94/668791694.db2.gz	ANUWPYUPZHJSPT-UHFFFAOYSA-N	-1	0	302.250	0.559	20	30		DCEDRM
C#C[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@H]1CCCO1	ZINC000775325702	668860631	/nfs/dbraw/zinc/86/06/31/668860631.db2.gz	CAQYHYRXKDHZBP-WDEREUQCSA-N	-1	0	314.301	0.347	20	30		DCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)CCCC#N)c(C(F)F)n1	ZINC000776119077	668871153	/nfs/dbraw/zinc/87/11/53/668871153.db2.gz	BLFSKCZLZXIQQI-UHFFFAOYSA-N	-1	0	306.294	0.721	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccccc1	ZINC000776121762	668871231	/nfs/dbraw/zinc/87/12/31/668871231.db2.gz	IJGPPMWURGRRGB-UHFFFAOYSA-N	-1	0	309.347	0.166	20	30		DCEDRM
CC(=O)Nc1nc(C(=O)[N-]S(=O)(=O)CCCC#N)cs1	ZINC000776123700	668871423	/nfs/dbraw/zinc/87/14/23/668871423.db2.gz	UCOMJNZHYVULFF-UHFFFAOYSA-N	-1	0	316.364	0.465	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2	ZINC000776123207	668871431	/nfs/dbraw/zinc/87/14/31/668871431.db2.gz	YYDQBFXYKBELRL-UHFFFAOYSA-N	-1	0	323.330	0.381	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-]	ZINC000776597259	668879036	/nfs/dbraw/zinc/87/90/36/668879036.db2.gz	NZFGKMRBZBSQGP-ZETCQYMHSA-N	-1	0	307.759	0.771	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc(-c2nnco2)c1	ZINC000776681372	668879993	/nfs/dbraw/zinc/87/99/93/668879993.db2.gz	YNZQRMIOOVKXSG-UHFFFAOYSA-N	-1	0	323.330	0.998	20	30		DCEDRM
N#Cc1ccc(C2(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)CC2)cc1	ZINC000781474572	669045714	/nfs/dbraw/zinc/04/57/14/669045714.db2.gz	OARZIVLTQOPHTE-ZDUSSCGKSA-N	-1	0	320.370	0.825	20	30		DCEDRM
CC(C)OCC(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000781597978	669051633	/nfs/dbraw/zinc/05/16/33/669051633.db2.gz	OXXGEPQHNCZEDS-UHFFFAOYSA-N	-1	0	300.311	0.927	20	30		DCEDRM
C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1cnnn1C	ZINC000781738249	669060284	/nfs/dbraw/zinc/06/02/84/669060284.db2.gz	TZPRTFYTHMDWKW-UHFFFAOYSA-N	-1	0	322.346	0.499	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000783616487	669164566	/nfs/dbraw/zinc/16/45/66/669164566.db2.gz	JBWWUQHYYSIUPU-UHFFFAOYSA-N	-1	0	314.319	0.631	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)CO1	ZINC000784482714	669206866	/nfs/dbraw/zinc/20/68/66/669206866.db2.gz	UCCPVOMUAPMCCC-GWCFXTLKSA-N	-1	0	308.359	0.929	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(Br)c(OC)c1	ZINC000788348750	669433483	/nfs/dbraw/zinc/43/34/83/669433483.db2.gz	LNFDNQWUNQUGKT-ZETCQYMHSA-N	-1	0	312.123	0.921	20	30		DCEDRM
C#CC[C@@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1	ZINC000882340062	669504480	/nfs/dbraw/zinc/50/44/80/669504480.db2.gz	MIJHMVYYEUFQCW-JEOXALJRSA-N	-1	0	322.452	0.636	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1csc(-c2cnccn2)n1	ZINC000791108894	669594203	/nfs/dbraw/zinc/59/42/03/669594203.db2.gz	PJHUSZALMLYIJW-UHFFFAOYSA-N	-1	0	322.371	0.683	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CN1CCCCCCC1=O	ZINC000791110671	669594572	/nfs/dbraw/zinc/59/45/72/669594572.db2.gz	HARJBEKZRARDQH-UHFFFAOYSA-N	-1	0	300.380	0.248	20	30		DCEDRM
CSc1c(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cnn1C	ZINC000791865042	669635389	/nfs/dbraw/zinc/63/53/89/669635389.db2.gz	AJYFGNOGIMGFLG-UHFFFAOYSA-N	-1	0	316.408	0.751	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C(F)(F)C1CCOCC1	ZINC000791865637	669635601	/nfs/dbraw/zinc/63/56/01/669635601.db2.gz	GKHXSHXNIDMNLY-UHFFFAOYSA-N	-1	0	310.322	0.798	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnc(OCC2CC2)cn1	ZINC000793126428	669703216	/nfs/dbraw/zinc/70/32/16/669703216.db2.gz	SJMWAFSRSWAGOY-NSHDSACASA-N	-1	0	300.318	0.866	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc2n[nH]nc21	ZINC000800209299	669838920	/nfs/dbraw/zinc/83/89/20/669838920.db2.gz	YMXFXNMZRMIMHF-MRVPVSSYSA-N	-1	0	317.305	0.515	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nnn(Cc2ccncc2)c1C	ZINC000797183127	669958642	/nfs/dbraw/zinc/95/86/42/669958642.db2.gz	HICXKFSSKZOMOS-UHFFFAOYSA-N	-1	0	321.362	0.275	20	30		DCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000797287056	669962779	/nfs/dbraw/zinc/96/27/79/669962779.db2.gz	YRTPLYQLQGBLHT-VIFPVBQESA-N	-1	0	310.331	0.488	20	30		DCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000797290700	669963445	/nfs/dbraw/zinc/96/34/45/669963445.db2.gz	KRUBWTIXKNYCGB-SNVBAGLBSA-N	-1	0	324.358	0.303	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@H](COC)c1ccco1)C(=O)[O-]	ZINC000797721574	669973711	/nfs/dbraw/zinc/97/37/11/669973711.db2.gz	BKVXOEJSZJWPSE-MNOVXSKESA-N	-1	0	312.322	0.922	20	30		DCEDRM
C#CCC[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000798488797	670006773	/nfs/dbraw/zinc/00/67/73/670006773.db2.gz	ZLFHOOULAINKAV-JTQLQIEISA-N	-1	0	314.313	0.889	20	30		DCEDRM
N#Cc1cccc(-n2ccc(C(=O)[N-]N3CCCNC3=O)n2)c1	ZINC000798990139	670032814	/nfs/dbraw/zinc/03/28/14/670032814.db2.gz	PXDAIFMWRVGLOV-UHFFFAOYSA-N	-1	0	310.317	0.804	20	30		DCEDRM
COc1ccccc1CO[N-]C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000799095038	670039777	/nfs/dbraw/zinc/03/97/77/670039777.db2.gz	VTHPYBJCFNJNAH-SNVBAGLBSA-N	-1	0	301.306	0.967	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C/c1ccccc1C#N	ZINC000800552171	670094588	/nfs/dbraw/zinc/09/45/88/670094588.db2.gz	LXCROGHFGICZOE-VOTSOKGWSA-N	-1	0	321.358	0.154	20	30		DCEDRM
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000802153657	670152700	/nfs/dbraw/zinc/15/27/00/670152700.db2.gz	LRZUXMCVCZWOKA-IUCAKERBSA-N	-1	0	304.368	0.570	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC	ZINC000802155296	670153334	/nfs/dbraw/zinc/15/33/34/670153334.db2.gz	NSFLXKCZLGAMDT-GHMZBOCLSA-N	-1	0	321.395	0.613	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccn(-c2ccccc2)n1	ZINC000810771675	670496516	/nfs/dbraw/zinc/49/65/16/670496516.db2.gz	MPAQCJVLFCFMES-UHFFFAOYSA-N	-1	0	317.370	0.884	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1COc2ccc(OC)cc2C1	ZINC000810772984	670496626	/nfs/dbraw/zinc/49/66/26/670496626.db2.gz	MYLWDLWDCZHAKI-GFCCVEGCSA-N	-1	0	323.370	0.716	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)CC(C)(C)C	ZINC000810777088	670497303	/nfs/dbraw/zinc/49/73/03/670497303.db2.gz	VQRONXHSTSLQPH-JTQLQIEISA-N	-1	0	302.396	0.397	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COc1cccc(C(C)=O)c1	ZINC000810780956	670497681	/nfs/dbraw/zinc/49/76/81/670497681.db2.gz	YHMVWKXHCICHEK-UHFFFAOYSA-N	-1	0	309.343	0.737	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(OCCOC)c1	ZINC000810783045	670497690	/nfs/dbraw/zinc/49/76/90/670497690.db2.gz	CMXLOLGLLAPJCE-UHFFFAOYSA-N	-1	0	311.359	0.795	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1	ZINC000810781177	670497779	/nfs/dbraw/zinc/49/77/79/670497779.db2.gz	IKMLUKMNQCDLDT-UHFFFAOYSA-N	-1	0	318.358	0.279	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(O[C@H]2CCOC2)cc1	ZINC000810783361	670497983	/nfs/dbraw/zinc/49/79/83/670497983.db2.gz	MDQTYYDVIASXBT-AWEZNQCLSA-N	-1	0	323.370	0.937	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cccn3c(=O)[nH]nc23)CC1	ZINC000810979843	670501713	/nfs/dbraw/zinc/50/17/13/670501713.db2.gz	KITOXLYNEVNCAY-UHFFFAOYSA-N	-1	0	322.346	0.603	20	30		DCEDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000811138297	670508855	/nfs/dbraw/zinc/50/88/55/670508855.db2.gz	KDRUXMZNCPHOJS-UHFFFAOYSA-N	-1	0	324.358	0.817	20	30		DCEDRM
CCOC[C@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000811674086	670541086	/nfs/dbraw/zinc/54/10/86/670541086.db2.gz	RPIZLCTUOCQKDF-JTQLQIEISA-N	-1	0	316.310	0.465	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000847643682	670585331	/nfs/dbraw/zinc/58/53/31/670585331.db2.gz	FTKNBONFEBVHHL-SNVBAGLBSA-N	-1	0	324.358	0.356	20	30		DCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000847659090	670587577	/nfs/dbraw/zinc/58/75/77/670587577.db2.gz	YPKMNFKVNZZYPK-UHFFFAOYSA-N	-1	0	312.307	0.879	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(n1)OCCO2	ZINC000847664367	670587662	/nfs/dbraw/zinc/58/76/62/670587662.db2.gz	CYAYKLXQUXOAEN-VIFPVBQESA-N	-1	0	312.285	0.792	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc2c(n1)OCCO2	ZINC000847675248	670589405	/nfs/dbraw/zinc/58/94/05/670589405.db2.gz	RUTSDOKOLUJZQW-UHFFFAOYSA-N	-1	0	311.319	0.216	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847845923	670605281	/nfs/dbraw/zinc/60/52/81/670605281.db2.gz	DDJZVYPWPDQBSN-UHFFFAOYSA-N	-1	0	301.368	0.349	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S	ZINC000854766007	670625611	/nfs/dbraw/zinc/62/56/11/670625611.db2.gz	TXAFQNJSLXLYNQ-JTQLQIEISA-N	-1	0	317.370	0.186	20	30		DCEDRM
CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)O1	ZINC000813980651	670667699	/nfs/dbraw/zinc/66/76/99/670667699.db2.gz	FLRFDOZHWHMTRV-JQWIXIFHSA-N	-1	0	309.347	0.716	20	30		DCEDRM
CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980135	670667832	/nfs/dbraw/zinc/66/78/32/670667832.db2.gz	RTEOEMOIZKNNJY-JTQLQIEISA-N	-1	0	311.363	0.819	20	30		DCEDRM
COC(=O)COc1c(C)cc(C=Nn2c(=O)[n-][nH]c2=O)cc1C	ZINC000814230760	670681878	/nfs/dbraw/zinc/68/18/78/670681878.db2.gz	AOUPHXQPXOPVMG-UHFFFAOYSA-N	-1	0	320.305	0.740	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)NCc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC000848608104	670704056	/nfs/dbraw/zinc/70/40/56/670704056.db2.gz	QGVWSOLWIONJRE-SNVBAGLBSA-N	-1	0	319.317	0.042	20	30		DCEDRM
COc1ccc(C=NNc2cnnn2C)c(OCC(=O)[O-])c1	ZINC000814982110	670710514	/nfs/dbraw/zinc/71/05/14/670710514.db2.gz	XNKVHDJVAAYVDF-UHFFFAOYSA-N	-1	0	305.294	0.733	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000848681087	670712883	/nfs/dbraw/zinc/71/28/83/670712883.db2.gz	SQBCKCZPVFCCTJ-NSHDSACASA-N	-1	0	300.311	0.790	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)nc1Cl	ZINC000849219766	670766645	/nfs/dbraw/zinc/76/66/45/670766645.db2.gz	WKCMMISBHDGPAE-UHFFFAOYSA-N	-1	0	302.739	0.752	20	30		DCEDRM
CCn1nncc1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000815895608	670770364	/nfs/dbraw/zinc/77/03/64/670770364.db2.gz	ZLJYGSHANOXPEX-UHFFFAOYSA-N	-1	0	319.346	0.429	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)CC1	ZINC000816089472	670785554	/nfs/dbraw/zinc/78/55/54/670785554.db2.gz	XJSKRZNODWINCP-UHFFFAOYSA-N	-1	0	300.380	0.554	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc2n1CCCCC2	ZINC000857010075	670873437	/nfs/dbraw/zinc/87/34/37/670873437.db2.gz	CUZSDMBKZRVQHL-NSHDSACASA-N	-1	0	304.350	0.695	20	30		DCEDRM
COC[C@H](OC)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000850197909	670894273	/nfs/dbraw/zinc/89/42/73/670894273.db2.gz	BHLRLPATSSWNQY-KOLCDFICSA-N	-1	0	312.347	0.832	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000850737769	670937571	/nfs/dbraw/zinc/93/75/71/670937571.db2.gz	TXAGYIRALLUCIK-LBPRGKRZSA-N	-1	0	311.363	0.357	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1nnn(C(C)(C)C)n1	ZINC000850752204	670938068	/nfs/dbraw/zinc/93/80/68/670938068.db2.gz	LODUWGVNIBUERH-SNVBAGLBSA-N	-1	0	322.369	0.293	20	30		DCEDRM
N#CC1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1	ZINC000850785716	670940247	/nfs/dbraw/zinc/94/02/47/670940247.db2.gz	GQDUZRUJLSGMKC-UHFFFAOYSA-N	-1	0	302.290	0.480	20	30		DCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)c(OC)c1	ZINC000850843487	670948396	/nfs/dbraw/zinc/94/83/96/670948396.db2.gz	WROOTSBJIYCSIZ-VIFPVBQESA-N	-1	0	312.347	0.661	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000850873544	670951820	/nfs/dbraw/zinc/95/18/20/670951820.db2.gz	YBJJMCSVBAPCME-NSHDSACASA-N	-1	0	315.351	0.092	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2noc3c2COCC3)CC1	ZINC000857853095	670954835	/nfs/dbraw/zinc/95/48/35/670954835.db2.gz	KXCGMSALAJZEOI-UHFFFAOYSA-N	-1	0	312.347	0.916	20	30		DCEDRM
CC1(C)OC[C@H]2C[C@]21C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000851041621	670963727	/nfs/dbraw/zinc/96/37/27/670963727.db2.gz	VONDCIHPVBFPSY-QMTHXVAHSA-N	-1	0	321.358	0.573	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851502907	670994454	/nfs/dbraw/zinc/99/44/54/670994454.db2.gz	YBUDGJKONRUIMV-ZDUSSCGKSA-N	-1	0	323.411	0.323	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)NCC(CC)(CC)C(=O)[O-])[C@H]1CCCO1	ZINC000818657955	671042346	/nfs/dbraw/zinc/04/23/46/671042346.db2.gz	NCYATTLJYQUVBG-NWDGAFQWSA-N	-1	0	324.377	0.291	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]N2C(=O)N[C@@](C)(CC)C2=O)nn1	ZINC000819517489	671124336	/nfs/dbraw/zinc/12/43/36/671124336.db2.gz	AVSQCUUNKUUXOI-ZDUSSCGKSA-N	-1	0	306.326	0.220	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)nn1	ZINC000820020525	671156212	/nfs/dbraw/zinc/15/62/12/671156212.db2.gz	AUKPVWZLZBRTFF-UHFFFAOYSA-N	-1	0	301.372	0.169	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C)nn1	ZINC000820058994	671160048	/nfs/dbraw/zinc/16/00/48/671160048.db2.gz	PTWMKOXXSWQOJU-UHFFFAOYSA-N	-1	0	300.384	0.960	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CC(=O)OCC)CCOCC1	ZINC000820470366	671203439	/nfs/dbraw/zinc/20/34/39/671203439.db2.gz	YZTAKNNZKPPLSB-UHFFFAOYSA-N	-1	0	319.379	0.368	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CCOCC1	ZINC000820550075	671209594	/nfs/dbraw/zinc/20/95/94/671209594.db2.gz	DGKQBFSUXTYUKJ-GFCCVEGCSA-N	-1	0	317.407	0.984	20	30		DCEDRM
COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1)OC	ZINC000853200813	671217515	/nfs/dbraw/zinc/21/75/15/671217515.db2.gz	RBQJFSLHWILUOT-GFCCVEGCSA-N	-1	0	312.347	0.279	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000853350980	671228746	/nfs/dbraw/zinc/22/87/46/671228746.db2.gz	RDRKWRWPOGKNOB-ZDUSSCGKSA-N	-1	0	304.346	0.089	20	30		DCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000860884146	671247333	/nfs/dbraw/zinc/24/73/33/671247333.db2.gz	JOTSYWSCROQEBD-UHFFFAOYSA-N	-1	0	306.384	0.424	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)COC(F)F)c(F)c1	ZINC000861016440	671259721	/nfs/dbraw/zinc/25/97/21/671259721.db2.gz	YXASLPXOHORRIU-UHFFFAOYSA-N	-1	0	322.264	0.883	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nc1	ZINC000821582854	671284457	/nfs/dbraw/zinc/28/44/57/671284457.db2.gz	ZWSNJFWJTOXYCI-UHFFFAOYSA-N	-1	0	308.363	0.655	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1csc(-c2cnccn2)n1	ZINC000821583983	671284779	/nfs/dbraw/zinc/28/47/79/671284779.db2.gz	NJPOJMITYIIACG-UHFFFAOYSA-N	-1	0	323.359	0.573	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C(=O)OC	ZINC000822416183	671321294	/nfs/dbraw/zinc/32/12/94/671321294.db2.gz	WYDHTLNJISBIME-GFCCVEGCSA-N	-1	0	307.350	0.056	20	30		DCEDRM
C#CCN(CC(=O)[N-]OCCOCC)C(=O)OC(C)(C)C	ZINC000832386514	671717311	/nfs/dbraw/zinc/71/73/11/671717311.db2.gz	XBUKYCNFHFGMLS-UHFFFAOYSA-N	-1	0	300.355	0.941	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1COC	ZINC000835281539	671792319	/nfs/dbraw/zinc/79/23/19/671792319.db2.gz	QOWJZMONWZJNOD-NSHDSACASA-N	-1	0	311.359	0.676	20	30		DCEDRM
C[C@H](Oc1ccccn1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000835316967	671793563	/nfs/dbraw/zinc/79/35/63/671793563.db2.gz	LBNNMEGVHRZCQN-NSHDSACASA-N	-1	0	323.374	0.989	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(c2ccccc2)C1	ZINC000835371356	671794760	/nfs/dbraw/zinc/79/47/60/671794760.db2.gz	GLNIWESMRIBYCH-CYBMUJFWSA-N	-1	0	306.387	0.982	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CCc1cccc2c1OCO2	ZINC000835409094	671795520	/nfs/dbraw/zinc/79/55/20/671795520.db2.gz	RIWQTXNMXBDUCE-UHFFFAOYSA-N	-1	0	310.331	0.708	20	30		DCEDRM
COc1ccc2c(c1)C[C@H](C(=O)[N-]S(=O)(=O)CCC#N)CO2	ZINC000835412720	671795886	/nfs/dbraw/zinc/79/58/86/671795886.db2.gz	VRDFEJKSRHHFHW-NSHDSACASA-N	-1	0	324.358	0.606	20	30		DCEDRM
COc1cc(C)c(C(=O)[N-]S(=O)(=O)CCC#N)cc1OC	ZINC000835412064	671795936	/nfs/dbraw/zinc/79/59/36/671795936.db2.gz	XQNOBOHRWWZPJM-UHFFFAOYSA-N	-1	0	312.347	0.986	20	30		DCEDRM
CC(C)[C@H](CO)O[N-]C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000836890691	671837587	/nfs/dbraw/zinc/83/75/87/671837587.db2.gz	IZAMXRUYUUONFP-ZDUSSCGKSA-N	-1	0	305.334	0.353	20	30		DCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ncn(C)c1Cl	ZINC000837291123	671854631	/nfs/dbraw/zinc/85/46/31/671854631.db2.gz	HNYFCOWILMSQSB-ZETCQYMHSA-N	-1	0	307.759	0.771	20	30		DCEDRM
O=C([O-])COc1ccc(C=NN2CCC[C@@H]2CO)cc1[N+](=O)[O-]	ZINC000841660362	671946514	/nfs/dbraw/zinc/94/65/14/671946514.db2.gz	KTQYTYQSNDDDMZ-LLVKDONJSA-N	-1	0	323.305	0.849	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)nn1	ZINC000842705219	672029755	/nfs/dbraw/zinc/02/97/55/672029755.db2.gz	JSSDTLHIVKLLAQ-JTQLQIEISA-N	-1	0	314.367	0.093	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1CCc2ncncc2C1	ZINC000842752528	672034258	/nfs/dbraw/zinc/03/42/58/672034258.db2.gz	OEFDGWTZOVAVCY-SNVBAGLBSA-N	-1	0	322.390	0.577	20	30		DCEDRM
CC(C)[C@H](C(=O)[N-]S(=O)(=O)CCC#N)C(=O)OC(C)(C)C	ZINC000842794573	672037638	/nfs/dbraw/zinc/03/76/38/672037638.db2.gz	VVFNMRAGQQUBFR-SNVBAGLBSA-N	-1	0	318.395	0.960	20	30		DCEDRM
CC(C)(C)OC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000842793327	672037768	/nfs/dbraw/zinc/03/77/68/672037768.db2.gz	KLLPXMXGWCHTFG-UHFFFAOYSA-N	-1	0	304.368	0.714	20	30		DCEDRM
C[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2C#N)C[C@H]1C(=O)[O-]	ZINC000843034911	672055462	/nfs/dbraw/zinc/05/54/62/672055462.db2.gz	DXQNJNTYHQIGCX-MWLCHTKSSA-N	-1	0	323.374	0.753	20	30		DCEDRM
COc1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cc1C#N	ZINC000843257644	672075447	/nfs/dbraw/zinc/07/54/47/672075447.db2.gz	RIJKFACHODZZSV-UHFFFAOYSA-N	-1	0	319.317	0.164	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)CSc2n[n-]c(=S)s2)C1	ZINC000844015889	672137748	/nfs/dbraw/zinc/13/77/48/672137748.db2.gz	ONMAKURMRSQTEX-JTQLQIEISA-N	-1	0	316.433	0.796	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	ZINC000844786551	672202740	/nfs/dbraw/zinc/20/27/40/672202740.db2.gz	BDOPLBWEMCQYSM-ONGXEEELSA-N	-1	0	303.384	0.556	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CC1CC1)C(=O)[O-]	ZINC000844801249	672204079	/nfs/dbraw/zinc/20/40/79/672204079.db2.gz	OLORHXJBVVKQPZ-MWLCHTKSSA-N	-1	0	303.384	0.556	20	30		DCEDRM
C[C@@H]1C[C@H](S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)CCO1	ZINC000844818175	672204740	/nfs/dbraw/zinc/20/47/40/672204740.db2.gz	VMSPRTQLRFRHDW-DGCLKSJQSA-N	-1	0	315.391	0.684	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1	ZINC000845536097	672256866	/nfs/dbraw/zinc/25/68/66/672256866.db2.gz	MWVIQKUEOZAFNJ-CYBMUJFWSA-N	-1	0	320.349	0.301	20	30		DCEDRM
C#CCOCCNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC000846124207	672294955	/nfs/dbraw/zinc/29/49/55/672294955.db2.gz	DJIHUCOTDKWBNF-INIZCTEOSA-N	-1	0	304.346	0.978	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OCCC(N)=O)cc1	ZINC000846145796	672297420	/nfs/dbraw/zinc/29/74/20/672297420.db2.gz	HXVMPYRDLBGEMI-UHFFFAOYSA-N	-1	0	321.333	0.503	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(C(=O)N(C)OC)cc1	ZINC000846152839	672297776	/nfs/dbraw/zinc/29/77/76/672297776.db2.gz	DOIHVUCEYQFVSC-JTQLQIEISA-N	-1	0	321.333	0.881	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2	ZINC000846155777	672297881	/nfs/dbraw/zinc/29/78/81/672297881.db2.gz	WMCAZQFYYJLXNN-SECBINFHSA-N	-1	0	324.358	0.577	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c(OC)ncnc1N(C)C	ZINC000846154709	672297941	/nfs/dbraw/zinc/29/79/41/672297941.db2.gz	RFFBMWDZLQURDV-MRVPVSSYSA-N	-1	0	309.326	0.112	20	30		DCEDRM
C#CCCCNC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000846328865	672306853	/nfs/dbraw/zinc/30/68/53/672306853.db2.gz	KTMQBUSGOOTWOM-QGZVFWFLSA-N	-1	0	316.357	0.675	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@H](CCSC)NS(=O)(=O)CC	ZINC000846539262	672326425	/nfs/dbraw/zinc/32/64/25/672326425.db2.gz	SHJIWQNPGUJWBM-JTQLQIEISA-N	-1	0	310.441	0.671	20	30		DCEDRM
CCc1ncncc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813985412	685351548	/nfs/dbraw/zinc/35/15/48/685351548.db2.gz	ZJGGEAKJJRKKPG-UHFFFAOYSA-N	-1	0	317.330	0.424	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)OC	ZINC000841541803	685365555	/nfs/dbraw/zinc/36/55/55/685365555.db2.gz	XOIVXQBRFUNFQF-CYBMUJFWSA-N	-1	0	324.333	0.682	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@@H](NC(C)=O)c1cccs1)C(=O)[O-]	ZINC000149884764	685131713	/nfs/dbraw/zinc/13/17/13/685131713.db2.gz	CMPMPIJLAIYULM-WDEREUQCSA-N	-1	0	308.359	0.908	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)NC2=O	ZINC000388138740	685254367	/nfs/dbraw/zinc/25/43/67/685254367.db2.gz	FWUCVBHASPBYJA-UHFFFAOYSA-N	-1	0	303.274	0.675	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1	ZINC001007143262	690632801	/nfs/dbraw/zinc/63/28/01/690632801.db2.gz	MOMJFCHHHNOCMD-SNVBAGLBSA-N	-1	0	315.337	0.104	20	30		DCEDRM
C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[n-]n2c1nccc2=O	ZINC001018038864	693033731	/nfs/dbraw/zinc/03/37/31/693033731.db2.gz	RZVASFRLWHCFAW-TXEJJXNPSA-N	-1	0	313.361	0.497	20	30		DCEDRM
CC#CCN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21	ZINC001074219723	694843597	/nfs/dbraw/zinc/84/35/97/694843597.db2.gz	VFLVORJKOLFBGB-CHWSQXEVSA-N	-1	0	318.377	0.362	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001076165543	695002906	/nfs/dbraw/zinc/00/29/06/695002906.db2.gz	GPYUBBYOOYAWCW-BJOHPYRUSA-N	-1	0	324.381	0.375	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(CC)C[C@@H](C)C#N	ZINC001610032201	1159832611	/nfs/dbraw/zinc/83/26/11/1159832611.db2.gz	AGVZMPFBQHEBSF-WDEREUQCSA-N	-1	0	321.399	0.134	20	30		DCEDRM
C=CCCC(=O)N[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)C1CCCC1	ZINC001569600633	1161161547	/nfs/dbraw/zinc/16/15/47/1161161547.db2.gz	IEIWZPCYGOGXST-CYBMUJFWSA-N	-1	0	321.425	0.839	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001569905311	1161309680	/nfs/dbraw/zinc/30/96/80/1161309680.db2.gz	AZZZMNCKLVFPOP-QWHCGFSZSA-N	-1	0	317.393	0.879	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1)C(=O)[O-]	ZINC001573307178	1163411722	/nfs/dbraw/zinc/41/17/22/1163411722.db2.gz	IIYCGVUSRVHUFB-FXBDTBDDSA-N	-1	0	314.729	0.300	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1	ZINC001574112080	1163637860	/nfs/dbraw/zinc/63/78/60/1163637860.db2.gz	HSDAHQGNILREAS-QWHCGFSZSA-N	-1	0	314.301	0.506	20	30		DCEDRM
Cc1onc(CC(=O)N[C@@H](C)C2(C(=O)[O-])CCOCC2)c1C#N	ZINC001574208212	1163663108	/nfs/dbraw/zinc/66/31/08/1163663108.db2.gz	WHRNYKIXXRDNQS-JTQLQIEISA-N	-1	0	321.333	0.783	20	30		DCEDRM
Cc1onc(CC(=O)N[C@H](C)C2(C(=O)[O-])CCOCC2)c1C#N	ZINC001574208213	1163663408	/nfs/dbraw/zinc/66/34/08/1163663408.db2.gz	WHRNYKIXXRDNQS-SNVBAGLBSA-N	-1	0	321.333	0.783	20	30		DCEDRM
N#Cc1cc(N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)nc(C2CC2)n1	ZINC001574245222	1163672169	/nfs/dbraw/zinc/67/21/69/1163672169.db2.gz	ISMYQDDNAMDFEI-KOLCDFICSA-N	-1	0	303.322	0.608	20	30		DCEDRM
N#Cc1cc(NC(=O)N[C@@H]2COC[C@@H]2O)ccc1NC(=O)[O-]	ZINC001574244868	1163672385	/nfs/dbraw/zinc/67/23/85/1163672385.db2.gz	BAIAKVSKMUFLSQ-MNOVXSKESA-N	-1	0	306.278	0.529	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)cs1	ZINC001574240794	1163672390	/nfs/dbraw/zinc/67/23/90/1163672390.db2.gz	AOIKARVNNHIHIP-NWDGAFQWSA-N	-1	0	317.326	0.931	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)NC1(CC(=O)[O-])COC1	ZINC001574248602	1163673241	/nfs/dbraw/zinc/67/32/41/1163673241.db2.gz	LDYKIQBDFVGRSR-UHFFFAOYSA-N	-1	0	302.333	0.142	20	30		DCEDRM
CCc1ccc(O)c(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC001578526249	1165044374	/nfs/dbraw/zinc/04/43/74/1165044374.db2.gz	HURMMXFWQSWIAU-UHFFFAOYSA-N	-1	0	324.304	0.982	20	30		DCEDRM
COc1ccncc1CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001580099919	1165502744	/nfs/dbraw/zinc/50/27/44/1165502744.db2.gz	WCSBFSVPNDIUIC-UHFFFAOYSA-N	-1	0	309.293	0.544	20	30		DCEDRM
Cn1nc(C2CC2)cc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001581823471	1165883218	/nfs/dbraw/zinc/88/32/18/1165883218.db2.gz	PMIIMHKFTJIBKN-UHFFFAOYSA-N	-1	0	324.308	0.325	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(C#N)cc2F)[n-]c1-c1nn[nH]n1	ZINC001581869118	1165895256	/nfs/dbraw/zinc/89/52/56/1165895256.db2.gz	JIAZKVLGUILCFI-UHFFFAOYSA-N	-1	0	323.251	0.725	20	30		DCEDRM
N#Cc1cc(CNC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)ccn1	ZINC001581864879	1165895278	/nfs/dbraw/zinc/89/52/78/1165895278.db2.gz	SNEQYGXXPGRMCF-UHFFFAOYSA-N	-1	0	321.300	0.769	20	30		DCEDRM
N#Cc1ncc(N2CC[C@@H](c3cccnc3)C2)nc1-c1nnn[n-]1	ZINC001581882367	1165901212	/nfs/dbraw/zinc/90/12/12/1165901212.db2.gz	VNXIUMOBTKFLJW-LLVKDONJSA-N	-1	0	319.332	0.917	20	30		DCEDRM
N#Cc1ncc(N2CC[C@@H](c3ncccn3)C2)nc1-c1nnn[n-]1	ZINC001581881919	1165901293	/nfs/dbraw/zinc/90/12/93/1165901293.db2.gz	FJGHMWCIWLTORL-SECBINFHSA-N	-1	0	320.320	0.312	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCCC(F)(F)[C@H]2O)nc1-c1nnn[n-]1	ZINC001581884203	1165904292	/nfs/dbraw/zinc/90/42/92/1165904292.db2.gz	OXKNNCOMNYHMFM-LDWIPMOCSA-N	-1	0	322.279	0.489	20	30		DCEDRM
N#Cc1ncc(NCC[C@@H]2CCCC[C@@H]2O)nc1-c1nnn[n-]1	ZINC001581884371	1165904360	/nfs/dbraw/zinc/90/43/60/1165904360.db2.gz	XARQLFAWODIDHJ-ONGXEEELSA-N	-1	0	314.353	0.881	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(C)(C)C	ZINC001588328356	1166523781	/nfs/dbraw/zinc/52/37/81/1166523781.db2.gz	FHNCXKSUSDNSIL-VIFPVBQESA-N	-1	0	309.351	0.786	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)NCCO2)C(=O)[O-]	ZINC001588414805	1166551216	/nfs/dbraw/zinc/55/12/16/1166551216.db2.gz	ROEWJLDQJZRAEN-LLVKDONJSA-N	-1	0	302.286	0.015	20	30		DCEDRM
C=C(C)CNC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC001588429504	1166556269	/nfs/dbraw/zinc/55/62/69/1166556269.db2.gz	CGELJOVKMVQROH-UHFFFAOYSA-N	-1	0	306.351	0.995	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1	ZINC001588478005	1166557888	/nfs/dbraw/zinc/55/78/88/1166557888.db2.gz	PHLXYHXYTRPQML-SECBINFHSA-N	-1	0	316.369	0.207	20	30		DCEDRM
C=CC[C@@H](NC(=O)COc1ccc(-c2nn[nH]n2)cc1)C(=O)[O-]	ZINC001588549508	1166561568	/nfs/dbraw/zinc/56/15/68/1166561568.db2.gz	QJOCKWVBGHVDBH-LLVKDONJSA-N	-1	0	317.305	0.391	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(-c2nn[nH]n2)c1C	ZINC001588657787	1166573360	/nfs/dbraw/zinc/57/33/60/1166573360.db2.gz	WQFHVFJPXOVPEU-GFCCVEGCSA-N	-1	0	310.317	0.800	20	30		DCEDRM
C=CCn1cc(CNCc2nc(-c3nn[nH]n3)cs2)nn1	ZINC001588717242	1166580679	/nfs/dbraw/zinc/58/06/79/1166580679.db2.gz	VPDAGIPHEQREKO-UHFFFAOYSA-N	-1	0	303.355	0.391	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC001588718710	1166580815	/nfs/dbraw/zinc/58/08/15/1166580815.db2.gz	QYCFIJDNGRMYIP-PWSUYJOCSA-N	-1	0	300.322	0.725	20	30		DCEDRM
C=CCn1cc(C(=O)N(C)c2ccccc2-c2nn[nH]n2)nn1	ZINC001588711010	1166581313	/nfs/dbraw/zinc/58/13/13/1166581313.db2.gz	HMWFUURCEVZNFD-UHFFFAOYSA-N	-1	0	310.321	0.921	20	30		DCEDRM
C=CCn1cc(C(=O)Nc2ccc(-c3nn[nH]n3)c(C#N)c2)nn1	ZINC001588713808	1166582216	/nfs/dbraw/zinc/58/22/16/1166582216.db2.gz	UXFXPHDBZDOPCL-UHFFFAOYSA-N	-1	0	321.304	0.768	20	30		DCEDRM
CCc1nnc(Sc2cnc(-c3nnn[n-]3)c(C#N)n2)o1	ZINC001590934028	1167053910	/nfs/dbraw/zinc/05/39/10/1167053910.db2.gz	RKFLVZLQYWPQPG-UHFFFAOYSA-N	-1	0	301.295	0.625	20	30		DCEDRM
CN(CC(C)(C)C#N)S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001591042370	1167093589	/nfs/dbraw/zinc/09/35/89/1167093589.db2.gz	BJNQIBVAYFZDEP-UHFFFAOYSA-N	-1	0	321.366	0.432	20	30		DCEDRM
CO[C@H]1C[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1(C)C	ZINC001591349847	1167227704	/nfs/dbraw/zinc/22/77/04/1167227704.db2.gz	KVZYXHRUPJLWOQ-IUCAKERBSA-N	-1	0	300.326	0.754	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1nc(-c2ccoc2)no1	ZINC001592336215	1167493200	/nfs/dbraw/zinc/49/32/00/1167493200.db2.gz	VBDLZCMIAJPTSN-UHFFFAOYSA-N	-1	0	323.276	0.935	20	30		DCEDRM
N#CCc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1	ZINC001592680384	1167599386	/nfs/dbraw/zinc/59/93/86/1167599386.db2.gz	ZFIRAHYLZJNKLU-UHFFFAOYSA-N	-1	0	309.293	0.163	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CC(=O)Nc1ccccc1	ZINC001592681453	1167599425	/nfs/dbraw/zinc/59/94/25/1167599425.db2.gz	DEMJVISPRXDOJM-UHFFFAOYSA-N	-1	0	309.293	0.156	20	30		DCEDRM
N#Cc1cccc([N+](=O)[O-])c1Cn1cncc(-c2nnn[n-]2)c1=O	ZINC001592703462	1167604519	/nfs/dbraw/zinc/60/45/19/1167604519.db2.gz	XZMMTGBLBTYUPC-UHFFFAOYSA-N	-1	0	324.260	0.252	20	30		DCEDRM
N#Cc1ncc(N2Cc3ccc(O)cc3C2)nc1-c1nnn[n-]1	ZINC001592710582	1167609590	/nfs/dbraw/zinc/60/95/90/1167609590.db2.gz	PMKVMIURKZIKFK-UHFFFAOYSA-N	-1	0	306.289	0.754	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2ccc(C#N)o2)[C@@H](C(=O)[O-])C1	ZINC001598794739	1168036587	/nfs/dbraw/zinc/03/65/87/1168036587.db2.gz	CADBPRFFYYDJNS-PSASIEDQSA-N	-1	0	306.274	0.630	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])ncc1C#N	ZINC001600247052	1168148637	/nfs/dbraw/zinc/14/86/37/1168148637.db2.gz	KYKMYRUCIPZLML-UHFFFAOYSA-N	-1	0	304.306	0.427	20	30		DCEDRM
Cc1ccn(CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(=O)c1	ZINC001600595355	1168206872	/nfs/dbraw/zinc/20/68/72/1168206872.db2.gz	FDVRITQSPFZJNK-UHFFFAOYSA-N	-1	0	303.318	0.374	20	30		DCEDRM
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001600720688	1168262162	/nfs/dbraw/zinc/26/21/62/1168262162.db2.gz	UBZQMCZEWIPWMA-UHFFFAOYSA-N	-1	0	321.293	0.317	20	30		DCEDRM
Cc1nn(CCC(=O)N(CC#N)CCC(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC001600784305	1168294968	/nfs/dbraw/zinc/29/49/68/1168294968.db2.gz	HJVFCLNCAGEAIF-UHFFFAOYSA-N	-1	0	323.309	0.625	20	30		DCEDRM
Cc1oc(C=NNC2CCS(=O)(=O)CC2)cc1C(=O)[O-]	ZINC001600837917	1168480949	/nfs/dbraw/zinc/48/09/49/1168480949.db2.gz	GGSDKEUGKRYJJT-UHFFFAOYSA-N	-1	0	300.336	0.787	20	30		DCEDRM
Cc1onc(CC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)c1C#N	ZINC001600863981	1168491908	/nfs/dbraw/zinc/49/19/08/1168491908.db2.gz	GELSHQCAEXIYCX-CQSZACIVSA-N	-1	0	307.306	0.537	20	30		DCEDRM
Cn1cc(C#N)c(=O)n(Cc2ccc(C(=O)[O-])cc2F)c1=O	ZINC001600927664	1168511266	/nfs/dbraw/zinc/51/12/66/1168511266.db2.gz	YVQWYAFPRLRJPG-UHFFFAOYSA-N	-1	0	303.249	0.304	20	30		DCEDRM
Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CCSC[C@H]1C#N	ZINC001600940450	1168521518	/nfs/dbraw/zinc/52/15/18/1168521518.db2.gz	SCHLUIBQVFUIJM-SECBINFHSA-N	-1	0	315.376	0.353	20	30		DCEDRM
Cn1cc(NC(=O)NCCn2cnc(C#N)n2)cc1C(=O)[O-]	ZINC001600963524	1168534242	/nfs/dbraw/zinc/53/42/42/1168534242.db2.gz	APRORCXLPCDFTB-UHFFFAOYSA-N	-1	0	303.282	0.008	20	30		DCEDRM
Cn1nc2c(c1/C=C/C(=O)c1cn(CC(=O)[O-])nn1)CCC2	ZINC001601017962	1168565099	/nfs/dbraw/zinc/56/50/99/1168565099.db2.gz	UCINZZRNIURNBG-AATRIKPKSA-N	-1	0	301.306	0.481	20	30		DCEDRM
N#CC1(CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCOCC1	ZINC001601056048	1168578078	/nfs/dbraw/zinc/57/80/78/1168578078.db2.gz	NLKWHAGANFLNHG-MNOVXSKESA-N	-1	0	316.379	0.479	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(c2cnc(N3CCCC3=O)cn2)CC1	ZINC001601053809	1168578295	/nfs/dbraw/zinc/57/82/95/1168578295.db2.gz	VBGIVMCJCMYXPQ-UHFFFAOYSA-N	-1	0	315.333	0.798	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(c2nnnn2Cc2ccccc2)CC1	ZINC001601053499	1168578474	/nfs/dbraw/zinc/57/84/74/1168578474.db2.gz	IVMFXWJYGBBDAP-UHFFFAOYSA-N	-1	0	312.333	0.916	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])CC1	ZINC001601058140	1168579049	/nfs/dbraw/zinc/57/90/49/1168579049.db2.gz	NFZGHTSZTLNLDN-NXEZZACHSA-N	-1	0	302.352	0.232	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1	ZINC001601058221	1168579409	/nfs/dbraw/zinc/57/94/09/1168579409.db2.gz	PKPACTDGDSPFLL-BFVZDQMLSA-N	-1	0	311.313	0.210	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCN1C1CC1	ZINC001601060630	1168579439	/nfs/dbraw/zinc/57/94/39/1168579439.db2.gz	FPVNYOCOFSACFV-IACUBPJLSA-N	-1	0	321.377	0.455	20	30		DCEDRM
N#CC[C@@]1(O)CCN(S(=O)(=O)c2occc2C(=O)[O-])C1	ZINC001601063439	1168580066	/nfs/dbraw/zinc/58/00/66/1168580066.db2.gz	VNLZINUSMOELFE-LLVKDONJSA-N	-1	0	300.292	0.017	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)C(=O)c1cc(C(=O)[O-])on1	ZINC001601067038	1168580487	/nfs/dbraw/zinc/58/04/87/1168580487.db2.gz	PEMXCNWDOHEYHX-UHFFFAOYSA-N	-1	0	322.321	0.061	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)CCOCC1CCC1	ZINC001601072069	1168581001	/nfs/dbraw/zinc/58/10/01/1168581001.db2.gz	CPJHIFIFESRWDJ-UHFFFAOYSA-N	-1	0	304.368	0.433	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccc2scnc21	ZINC001601072161	1168581129	/nfs/dbraw/zinc/58/11/29/1168581129.db2.gz	KMJZTTWUKRTLRT-UHFFFAOYSA-N	-1	0	311.344	0.895	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@]1(c2ccccc2)CCC(=O)NC1	ZINC001601069814	1168581242	/nfs/dbraw/zinc/58/12/42/1168581242.db2.gz	GTLGXCFLFFSJJE-MRXNPFEDSA-N	-1	0	315.329	0.271	20	30		DCEDRM
N#CCc1ccc(NC(=O)COC(=O)COCC(=O)[O-])cc1	ZINC001601076962	1168582224	/nfs/dbraw/zinc/58/22/24/1168582224.db2.gz	FWOLKMHXOAKRIB-UHFFFAOYSA-N	-1	0	306.274	0.336	20	30		DCEDRM
N#CCc1ccccc1CC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001601077824	1168582778	/nfs/dbraw/zinc/58/27/78/1168582778.db2.gz	CQBZPFRNJSZLCM-UHFFFAOYSA-N	-1	0	313.317	0.401	20	30		DCEDRM
N#CCn1cc(NC(=O)C(=O)NCCCCCC(=O)[O-])cn1	ZINC001601078834	1168583122	/nfs/dbraw/zinc/58/31/22/1168583122.db2.gz	DCIVFMMENCAWTJ-UHFFFAOYSA-N	-1	0	307.310	0.106	20	30		DCEDRM
N#Cc1cc(Br)cnc1N1CC[C@](O)(C(=O)[O-])C1	ZINC001601085276	1168583352	/nfs/dbraw/zinc/58/33/52/1168583352.db2.gz	YQNAUVBEWJUKOG-LLVKDONJSA-N	-1	0	312.123	0.742	20	30		DCEDRM
N#Cc1cc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)cs1	ZINC001601087528	1168583499	/nfs/dbraw/zinc/58/34/99/1168583499.db2.gz	LCLPMKTUFKHIAC-JTQLQIEISA-N	-1	0	308.315	0.852	20	30		DCEDRM
N#Cc1cc(C(=O)OCC(=O)NC2(C(=O)[O-])CCCCC2)c[nH]1	ZINC001601086873	1168583698	/nfs/dbraw/zinc/58/36/98/1168583698.db2.gz	AKRXEVSMPQVVJX-UHFFFAOYSA-N	-1	0	319.317	0.947	20	30		DCEDRM
N#Cc1cc(N2CC[C@](O)(C(=O)[O-])C2)ncc1Br	ZINC001601090352	1168584042	/nfs/dbraw/zinc/58/40/42/1168584042.db2.gz	WDJGGYHFCYLCFP-LLVKDONJSA-N	-1	0	312.123	0.742	20	30		DCEDRM
N#Cc1cc(N2CC(O)(C(=O)[O-])C2)nc2ccc([N+](=O)[O-])cc12	ZINC001601090039	1168584256	/nfs/dbraw/zinc/58/42/56/1168584256.db2.gz	GENGQZKJFFTJOW-UHFFFAOYSA-N	-1	0	314.257	0.650	20	30		DCEDRM
N#Cc1ccc(CCN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])cc1	ZINC001601097498	1168584654	/nfs/dbraw/zinc/58/46/54/1168584654.db2.gz	GFMOAZKHXKFWEI-AWEZNQCLSA-N	-1	0	322.386	0.674	20	30		DCEDRM
N#Cc1ccc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC001601100929	1168585359	/nfs/dbraw/zinc/58/53/59/1168585359.db2.gz	REIPXORFEZVHDK-VXGBXAGGSA-N	-1	0	305.290	0.734	20	30		DCEDRM
N#Cc1ccc(Cl)c(C(=O)NCCn2cc(C(=O)[O-])nn2)c1	ZINC001601103287	1168585534	/nfs/dbraw/zinc/58/55/34/1168585534.db2.gz	LBKURGRCEYNWFR-UHFFFAOYSA-N	-1	0	319.708	0.931	20	30		DCEDRM
N#Cc1ccc(CN2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)cc1F	ZINC001601100346	1168585650	/nfs/dbraw/zinc/58/56/50/1168585650.db2.gz	JACBYPWKKJMKTJ-CKYFFXLPSA-N	-1	0	317.276	0.838	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1	ZINC001601110208	1168586694	/nfs/dbraw/zinc/58/66/94/1168586694.db2.gz	NEBHXKCEBWNHGG-OCCSQVGLSA-N	-1	0	304.302	0.374	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1	ZINC001601111209	1168586817	/nfs/dbraw/zinc/58/68/17/1168586817.db2.gz	VBYWDJIEGJRTAX-WDNDVIMCSA-N	-1	0	320.370	0.594	20	30		DCEDRM
N#Cc1cccc(-c2cc(C(=O)NC[C@@H](O)CC(=O)[O-])on2)c1	ZINC001601116195	1168587110	/nfs/dbraw/zinc/58/71/10/1168587110.db2.gz	NTHCMTDCCNGPBX-NSHDSACASA-N	-1	0	315.285	0.779	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c1	ZINC001601122775	1168588149	/nfs/dbraw/zinc/58/81/49/1168588149.db2.gz	TUBYYKNMAZLPNO-ONGXEEELSA-N	-1	0	305.265	0.520	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NCCOCC(=O)[O-])c1Cl	ZINC001601121468	1168588183	/nfs/dbraw/zinc/58/81/83/1168588183.db2.gz	PWPZWTZZQFDPJM-UHFFFAOYSA-N	-1	0	318.738	0.591	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1	ZINC001601121811	1168588442	/nfs/dbraw/zinc/58/84/42/1168588442.db2.gz	VUEVETDTGNGOTF-GXTWGEPZSA-N	-1	0	304.302	0.374	20	30		DCEDRM
N#Cc1ccccc1C(F)(F)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001601124805	1168588814	/nfs/dbraw/zinc/58/88/14/1168588814.db2.gz	ZVHYIMDLBMNIOF-QWRGUYRKSA-N	-1	0	324.283	0.944	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1	ZINC001601122551	1168588855	/nfs/dbraw/zinc/58/88/55/1168588855.db2.gz	AKRFBMPRULALGT-CHWSQXEVSA-N	-1	0	324.358	0.298	20	30		DCEDRM
N#Cc1ccncc1N1CCN(c2cncc(C(=O)[O-])n2)CC1	ZINC001601128310	1168589516	/nfs/dbraw/zinc/58/95/16/1168589516.db2.gz	JCHOBTVNGNRORA-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1cnc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)c(Cl)c1	ZINC001601128972	1168590273	/nfs/dbraw/zinc/59/02/73/1168590273.db2.gz	GHCIWUKRWBRFLU-CYBMUJFWSA-N	-1	0	309.709	0.970	20	30		DCEDRM
N#Cc1csc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)c1	ZINC001601130956	1168590784	/nfs/dbraw/zinc/59/07/84/1168590784.db2.gz	NMXMEIRKEGPYKI-VIFPVBQESA-N	-1	0	308.315	0.852	20	30		DCEDRM
N#Cc1csc(CNC2(C(=O)[O-])CCS(=O)(=O)CC2)n1	ZINC001601132370	1168592403	/nfs/dbraw/zinc/59/24/03/1168592403.db2.gz	TUUMUNHQUCUJHF-UHFFFAOYSA-N	-1	0	315.376	0.136	20	30		DCEDRM
N#Cc1cnn(-c2ccc(C(=O)NC3(C(=O)[O-])CC3)cc2)c1N	ZINC001601131979	1168592488	/nfs/dbraw/zinc/59/24/88/1168592488.db2.gz	ZZJYPSUULDYCJE-UHFFFAOYSA-N	-1	0	311.301	0.673	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC001601133825	1168592657	/nfs/dbraw/zinc/59/26/57/1168592657.db2.gz	WEKARSMAUJHSID-LSDHHAIUSA-N	-1	0	316.361	0.687	20	30		DCEDRM
N#Cc1csc(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)n1	ZINC001601132147	1168592944	/nfs/dbraw/zinc/59/29/44/1168592944.db2.gz	IGXAMLSUULPQAH-WCBMZHEXSA-N	-1	0	309.347	0.901	20	30		DCEDRM
O=C([O-])c1cccc(C#CCOC(=O)CN2CCOCC2)c1	ZINC001601317149	1168705192	/nfs/dbraw/zinc/70/51/92/1168705192.db2.gz	XUIUGWSNLMWOBR-UHFFFAOYSA-N	-1	0	303.314	0.612	20	30		DCEDRM
O=C([O-])c1cc(C(=O)N[C@H]2CCN(O)C2=O)cc([N+](=O)[O-])c1	ZINC001602246598	1169041322	/nfs/dbraw/zinc/04/13/22/1169041322.db2.gz	IMTIGBAIGUONKX-VIFPVBQESA-N	-1	0	309.234	0.013	20	30		DCEDRM
O=C([O-])c1cc(C(=O)N[C@@H]2CCN(O)C2=O)cc([N+](=O)[O-])c1	ZINC001602246597	1169041752	/nfs/dbraw/zinc/04/17/52/1169041752.db2.gz	IMTIGBAIGUONKX-SECBINFHSA-N	-1	0	309.234	0.013	20	30		DCEDRM
C#C[C@H]1COCCN1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1	ZINC001602681267	1169156910	/nfs/dbraw/zinc/15/69/10/1169156910.db2.gz	HKDDRBUZWLFZKV-NSHDSACASA-N	-1	0	313.313	0.868	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1ccsc1C(=O)[O-])[C@@H]1CCCO1	ZINC001602678084	1169157197	/nfs/dbraw/zinc/15/71/97/1169157197.db2.gz	HXGXTYOHMQEKDR-IUCAKERBSA-N	-1	0	315.372	0.905	20	30		DCEDRM
C#CC[C@@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)C(=O)[O-]	ZINC001602687754	1169158521	/nfs/dbraw/zinc/15/85/21/1169158521.db2.gz	VMDRHZXORAPQLG-CYBMUJFWSA-N	-1	0	316.313	0.543	20	30		DCEDRM
C#CC[C@@H](COC)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC001602684994	1169158603	/nfs/dbraw/zinc/15/86/03/1169158603.db2.gz	LCPXNIZPUHUPPC-LBPRGKRZSA-N	-1	0	311.359	0.630	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cnc(Cl)c(OC)c1)C(=O)[O-]	ZINC001602698338	1169163743	/nfs/dbraw/zinc/16/37/43/1169163743.db2.gz	CLBOCUFIRYPLRH-MRVPVSSYSA-N	-1	0	318.738	0.498	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	ZINC001602698641	1169164719	/nfs/dbraw/zinc/16/47/19/1169164719.db2.gz	OPMUFWAYBOMJLG-LBPRGKRZSA-N	-1	0	303.380	0.589	20	30		DCEDRM
C#CCCCC(=O)NCCNc1ccc(-c2nn[nH]n2)c(C)n1	ZINC001602704503	1169165716	/nfs/dbraw/zinc/16/57/16/1169165716.db2.gz	XIQPOEFWLHLWCO-UHFFFAOYSA-N	-1	0	313.365	0.902	20	30		DCEDRM
C#CCCCC(=O)NCCN(C)c1cnc(-c2nn[nH]n2)cn1	ZINC001602704567	1169165813	/nfs/dbraw/zinc/16/58/13/1169165813.db2.gz	XVWBXPXIELIZQS-UHFFFAOYSA-N	-1	0	314.353	0.013	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)[C@@H]1C	ZINC001602701718	1169166538	/nfs/dbraw/zinc/16/65/38/1169166538.db2.gz	UNXSIERQLPLHPP-RYUDHWBXSA-N	-1	0	316.361	0.802	20	30		DCEDRM
C#CCN(CC#CC)S(=O)(=O)c1ccsc1-c1nnn[n-]1	ZINC001602719940	1169170599	/nfs/dbraw/zinc/17/05/99/1169170599.db2.gz	LTEJHWZBOFKJOV-UHFFFAOYSA-N	-1	0	321.387	0.575	20	30		DCEDRM
C#CCNC(=O)CN1CCN([C@@H](C(=O)[O-])c2ccsc2)CC1	ZINC001602725262	1169171934	/nfs/dbraw/zinc/17/19/34/1169171934.db2.gz	SSEFVNVAGDMWLB-CQSZACIVSA-N	-1	0	321.402	0.241	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001602726546	1169174075	/nfs/dbraw/zinc/17/40/75/1169174075.db2.gz	RHUGGRFMGPMXJH-VHSXEESVSA-N	-1	0	306.322	0.130	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1Cn1nnnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001602746369	1169177251	/nfs/dbraw/zinc/17/72/51/1169177251.db2.gz	BPMHVWUOTJNGJJ-HUBLWGQQSA-N	-1	0	321.381	0.955	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001602745017	1169177404	/nfs/dbraw/zinc/17/74/04/1169177404.db2.gz	XMBHKFBZZNTIBI-KVSVUVNWSA-N	-1	0	320.389	0.882	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001602747317	1169177728	/nfs/dbraw/zinc/17/77/28/1169177728.db2.gz	NYJLKRPYJSFZTD-ZDEQEGDKSA-N	-1	0	312.366	0.851	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)[O-]	ZINC001602749356	1169177902	/nfs/dbraw/zinc/17/79/02/1169177902.db2.gz	STACUZGCJATTAO-VIFPVBQESA-N	-1	0	306.384	0.240	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001602744528	1169178201	/nfs/dbraw/zinc/17/82/01/1169178201.db2.gz	DAHHQLLWFLOGGL-RYUDHWBXSA-N	-1	0	308.378	0.979	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1	ZINC001602744808	1169178204	/nfs/dbraw/zinc/17/82/04/1169178204.db2.gz	NNIKNOHFLGLURB-SNVBAGLBSA-N	-1	0	322.365	0.088	20	30		DCEDRM
C=CCC(C)(C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C	ZINC001602808677	1169187056	/nfs/dbraw/zinc/18/70/56/1169187056.db2.gz	ILWBBVDSJWMBCH-UHFFFAOYSA-N	-1	0	319.369	0.278	20	30		DCEDRM
C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C[C@H]2C1	ZINC001602805825	1169187101	/nfs/dbraw/zinc/18/71/01/1169187101.db2.gz	KRZAXHOSXNJFHJ-YVECIDJPSA-N	-1	0	320.389	0.836	20	30		DCEDRM
C=C[C@H](COC)NC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001602817436	1169187989	/nfs/dbraw/zinc/18/79/89/1169187989.db2.gz	WUTKACCRHCJXEZ-ZJUUUORDSA-N	-1	0	308.338	0.916	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2CC[C@](F)(C(=O)[O-])C2)n1CCOC	ZINC001602821308	1169188886	/nfs/dbraw/zinc/18/88/86/1169188886.db2.gz	ZIBQKVZPDYFHLA-TVQRCGJNSA-N	-1	0	314.317	0.147	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F)C(=O)[O-]	ZINC001602845941	1169192456	/nfs/dbraw/zinc/19/24/56/1169192456.db2.gz	ZIROINNXQUAWCT-CSMHCCOUSA-N	-1	0	309.240	0.874	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@]1(OC)CCS(=O)(=O)C1)C(=O)[O-]	ZINC001602863944	1169195707	/nfs/dbraw/zinc/19/57/07/1169195707.db2.gz	VODCUIJDVGELJC-GXFFZTMASA-N	-1	0	319.379	0.116	20	30		DCEDRM
C=CCOCCCCOC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001602869391	1169196466	/nfs/dbraw/zinc/19/64/66/1169196466.db2.gz	CORVPILRVUYRSR-SNVBAGLBSA-N	-1	0	321.341	0.545	20	30		DCEDRM
C=CCCn1cc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)nn1	ZINC001602884598	1169197962	/nfs/dbraw/zinc/19/79/62/1169197962.db2.gz	KRMCYWYVPIWHSV-CQSZACIVSA-N	-1	0	319.321	0.300	20	30		DCEDRM
C=CCNc1ncc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)s1	ZINC001602906222	1169201438	/nfs/dbraw/zinc/20/14/38/1169201438.db2.gz	AVBZQCQJMDOFRM-UHFFFAOYSA-N	-1	0	308.323	0.739	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])cn1	ZINC001602902202	1169202299	/nfs/dbraw/zinc/20/22/99/1169202299.db2.gz	SYCFRDUAAKHMMK-QMMMGPOBSA-N	-1	0	321.289	0.337	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)OC	ZINC001602909403	1169202593	/nfs/dbraw/zinc/20/25/93/1169202593.db2.gz	VAIKVGDPJQVSKI-SECBINFHSA-N	-1	0	311.290	0.760	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c[nH]nc1-c1ccncc1)C(=O)[O-]	ZINC001602909129	1169203037	/nfs/dbraw/zinc/20/30/37/1169203037.db2.gz	OKVYQOGKFVEQIG-GFCCVEGCSA-N	-1	0	316.317	0.857	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C(OC)OC)o1)C(=O)[O-]	ZINC001602913178	1169203402	/nfs/dbraw/zinc/20/34/02/1169203402.db2.gz	KWMZOJIAAQSHPF-VIFPVBQESA-N	-1	0	313.306	0.957	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cncc(C)c1)C(=O)[O-]	ZINC001602915758	1169204316	/nfs/dbraw/zinc/20/43/16/1169204316.db2.gz	VXJXSYCWWPOLIE-NSHDSACASA-N	-1	0	300.336	0.324	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cncc(C)c1)C(=O)[O-]	ZINC001602915757	1169204599	/nfs/dbraw/zinc/20/45/99/1169204599.db2.gz	VXJXSYCWWPOLIE-LLVKDONJSA-N	-1	0	300.336	0.324	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C(=O)[O-])n1C)C(=O)OC	ZINC001602913314	1169204817	/nfs/dbraw/zinc/20/48/17/1169204817.db2.gz	NLQBLNZPXUCPFF-SECBINFHSA-N	-1	0	310.306	0.197	20	30		DCEDRM
C=CCn1c(CC(F)F)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001602935345	1169212951	/nfs/dbraw/zinc/21/29/51/1169212951.db2.gz	HVYJULWMZOVAKU-CYBMUJFWSA-N	-1	0	316.308	0.952	20	30		DCEDRM
C=CCN1C(=O)N=NC1SCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC001602937530	1169213305	/nfs/dbraw/zinc/21/33/05/1169213305.db2.gz	ZANIZPNCXOTEIX-VIFPVBQESA-N	-1	0	314.367	0.487	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001602939916	1169214696	/nfs/dbraw/zinc/21/46/96/1169214696.db2.gz	AXZXESSTUKSVSO-APPZFPTMSA-N	-1	0	301.324	0.120	20	30		DCEDRM
C=C[C@H](CO)NCc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1	ZINC001602945651	1169215673	/nfs/dbraw/zinc/21/56/73/1169215673.db2.gz	ZTCYGHVKPUNKCE-SSDOTTSWSA-N	-1	0	309.347	0.628	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F	ZINC001602945174	1169216758	/nfs/dbraw/zinc/21/67/58/1169216758.db2.gz	QVQHHCINYNNCJB-MRVPVSSYSA-N	-1	0	303.311	0.658	20	30		DCEDRM
C/C(=C/C(=O)[O-])CN1CCN(c2nccnc2C#N)C[C@H]1C	ZINC001602957017	1169219622	/nfs/dbraw/zinc/21/96/22/1169219622.db2.gz	CFDSMECKTBCWTO-SEVUFMINSA-N	-1	0	301.350	0.890	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC/C=C\CNc1ncccc1-c1nn[nH]n1	ZINC001602983627	1169224205	/nfs/dbraw/zinc/22/42/05/1169224205.db2.gz	KXVSSOBTYSCKFU-ZMWSMAPVSA-N	-1	0	312.337	0.506	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1C[C@@H](CNc2ccnc(C(=O)[O-])n2)[C@H](C)C1	ZINC001603130469	1169250081	/nfs/dbraw/zinc/25/00/81/1169250081.db2.gz	VWHTXWMBWNSATM-HBNTYKKESA-N	-1	0	317.349	0.263	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@H]1CCCCN1c1ncc(C(=O)[O-])cn1	ZINC001603129386	1169250548	/nfs/dbraw/zinc/25/05/48/1169250548.db2.gz	FJRVALYOIBRFEG-ZYHUDNBSSA-N	-1	0	317.349	0.810	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)c1ccnc(C(=O)[O-])c1)C1CC1	ZINC001603130501	1169250568	/nfs/dbraw/zinc/25/05/68/1169250568.db2.gz	WODGIPCIOVPRQD-OAHLLOKOSA-N	-1	0	317.301	0.745	20	30		DCEDRM
C[C@H](C(=O)N1CCSC[C@H]1CC(=O)[O-])n1cnc(C#N)n1	ZINC001603148043	1169255540	/nfs/dbraw/zinc/25/55/40/1169255540.db2.gz	KITCUATVBLCECS-RKDXNWHRSA-N	-1	0	309.351	0.129	20	30		DCEDRM
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(O)(C(=O)[O-])CC1	ZINC001603154486	1169259811	/nfs/dbraw/zinc/25/98/11/1169259811.db2.gz	FYGCNNMBPIKHJV-LBPRGKRZSA-N	-1	0	323.393	0.629	20	30		DCEDRM
C[C@@]1(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)CCCCO1	ZINC001603807845	1169398900	/nfs/dbraw/zinc/39/89/00/1169398900.db2.gz	PHZXIKZPVRQVNW-ZDUSSCGKSA-N	-1	0	300.326	0.899	20	30		DCEDRM
C[C@@]1(CO)CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001603808898	1169398996	/nfs/dbraw/zinc/39/89/96/1169398996.db2.gz	YQQCTJQLIWSYTP-CYBMUJFWSA-N	-1	0	300.326	0.127	20	30		DCEDRM
C[C@H](OC(=O)COc1ccc(C#N)cc1)C(=O)NCC(=O)[O-]	ZINC001604402807	1169583168	/nfs/dbraw/zinc/58/31/68/1169583168.db2.gz	WYLPSEWINKPDAT-VIFPVBQESA-N	-1	0	306.274	0.070	20	30		DCEDRM
C[C@H](Oc1ccccc1C=NNCCS(C)(=O)=O)C(=O)[O-]	ZINC001604442627	1169594780	/nfs/dbraw/zinc/59/47/80/1169594780.db2.gz	FHKAGYFHNGNFLV-JTQLQIEISA-N	-1	0	314.363	0.507	20	30		DCEDRM
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N1CC(C)(C#N)C1	ZINC001604484571	1169602037	/nfs/dbraw/zinc/60/20/37/1169602037.db2.gz	KHLGJIFXCJMWOC-VIFPVBQESA-N	-1	0	311.338	0.726	20	30		DCEDRM
CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001604509078	1169607973	/nfs/dbraw/zinc/60/79/73/1169607973.db2.gz	PFJUXVGLZRJPJR-RYUDHWBXSA-N	-1	0	324.358	0.694	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCc1cccc(C#N)c1	ZINC001604626429	1169635982	/nfs/dbraw/zinc/63/59/82/1169635982.db2.gz	MGXFPSXEHGRLJF-GWCFXTLKSA-N	-1	0	315.329	0.496	20	30		DCEDRM
C[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001604644596	1169641963	/nfs/dbraw/zinc/64/19/63/1169641963.db2.gz	NQQBIZWVZKXMOG-MWLCHTKSSA-N	-1	0	324.358	0.648	20	30		DCEDRM
C[C@H]1C[C@H](N2CCOCC2)CN1c1ccc(C(=O)[O-])nc1C#N	ZINC001604673240	1169649810	/nfs/dbraw/zinc/64/98/10/1169649810.db2.gz	UMLSSCKNHPAQDL-RYUDHWBXSA-N	-1	0	316.361	0.951	20	30		DCEDRM
CC[C@H](C)[C@@H](C(=O)[O-])N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC001604923884	1169745596	/nfs/dbraw/zinc/74/55/96/1169745596.db2.gz	PRMJPRUNGYZSBV-SRRSOLGSSA-N	-1	0	300.380	0.356	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)c1ccc(C)c(-c2nn[nH]n2)c1	ZINC001605041751	1169791650	/nfs/dbraw/zinc/79/16/50/1169791650.db2.gz	JAGXDQZZGVSBFR-AWEZNQCLSA-N	-1	0	300.322	0.834	20	30		DCEDRM
CC[C@@](COC)(NS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001605057236	1169799476	/nfs/dbraw/zinc/79/94/76/1169799476.db2.gz	VAWTYUOHEILFFP-LBPRGKRZSA-N	-1	0	313.335	0.111	20	30		DCEDRM
CCCC[C@@H](C(=O)[O-])N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC001605236430	1169879095	/nfs/dbraw/zinc/87/90/95/1169879095.db2.gz	ZVIOXLOTAXEQKN-GMXVVIOVSA-N	-1	0	300.380	0.500	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001605419096	1169917454	/nfs/dbraw/zinc/91/74/54/1169917454.db2.gz	QILAKFRTEFRBEB-SDDRHHMPSA-N	-1	0	317.411	0.946	20	30		DCEDRM
CCc1nc(C#N)cc(N(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1	ZINC001605845114	1170010513	/nfs/dbraw/zinc/01/05/13/1170010513.db2.gz	ZJAVHVLBAFVUCZ-MNOVXSKESA-N	-1	0	317.349	0.184	20	30		DCEDRM
CN(C)c1ccnc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001606065646	1170068192	/nfs/dbraw/zinc/06/81/92/1170068192.db2.gz	CPDPUJYSUUQELZ-UHFFFAOYSA-N	-1	0	318.337	0.765	20	30		DCEDRM
CN([C@]1(C#N)CCOC1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC001606072755	1170070504	/nfs/dbraw/zinc/07/05/04/1170070504.db2.gz	VIEVZRBWNPWMNB-AWEZNQCLSA-N	-1	0	324.358	0.617	20	30		DCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCCC(=O)[O-]	ZINC001606148926	1170093468	/nfs/dbraw/zinc/09/34/68/1170093468.db2.gz	WCXVFRSBXPDGDD-UHFFFAOYSA-N	-1	0	317.345	0.888	20	30		DCEDRM
CN1C[C@H](C(=O)[O-])N(Cc2ccc(C#N)cc2Cl)CC1=O	ZINC001606201757	1170110073	/nfs/dbraw/zinc/11/00/73/1170110073.db2.gz	DVPKFBKVFHTSQH-GFCCVEGCSA-N	-1	0	307.737	0.939	20	30		DCEDRM
N#CC1(CN2CCN(c3cccc(-c4nn[nH]n4)n3)CC2)CC1	ZINC001606343534	1170163658	/nfs/dbraw/zinc/16/36/58/1170163658.db2.gz	PNIRNDDSOCAAOD-UHFFFAOYSA-N	-1	0	310.365	0.687	20	30		DCEDRM
N#Cc1ccnc(Cn2cc3c(c(-c4nnn[n-]4)c2=O)CCC3)c1	ZINC001606389139	1170178891	/nfs/dbraw/zinc/17/88/91/1170178891.db2.gz	MHOXKGSJOAUWHH-UHFFFAOYSA-N	-1	0	319.328	0.832	20	30		DCEDRM
N#Cc1ncc(N2CC(C3CCOCC3)C2)nc1-c1nnn[n-]1	ZINC001606396969	1170182786	/nfs/dbraw/zinc/18/27/86/1170182786.db2.gz	FKHJWNDOVCAXHS-UHFFFAOYSA-N	-1	0	312.337	0.391	20	30		DCEDRM
COC(=O)c1cccc(NN=Cc2cn(CC(=O)[O-])nn2)c1C	ZINC001606617726	1170244194	/nfs/dbraw/zinc/24/41/94/1170244194.db2.gz	DZTYONIOJRUHAP-UHFFFAOYSA-N	-1	0	317.305	0.904	20	30		DCEDRM
COC[C@@H](C)NC(=S)NN=Cc1cccn1[C@@H](C)C(=O)[O-]	ZINC001606798887	1170294813	/nfs/dbraw/zinc/29/48/13/1170294813.db2.gz	WMPPSSVJNQKNOX-ZJUUUORDSA-N	-1	0	312.395	0.967	20	30		DCEDRM
COC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C(=O)[O-]	ZINC001606810191	1170297722	/nfs/dbraw/zinc/29/77/22/1170297722.db2.gz	RCVXRUNRZIACEP-GFCCVEGCSA-N	-1	0	321.333	0.424	20	30		DCEDRM
CON(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H](C)CC(=O)[O-]	ZINC001606986372	1170346465	/nfs/dbraw/zinc/34/64/65/1170346465.db2.gz	JGONVDYNRCZRMT-JTQLQIEISA-N	-1	0	319.317	0.541	20	30		DCEDRM
Cc1cc(C#N)nc(NCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1	ZINC001607566343	1170477694	/nfs/dbraw/zinc/47/76/94/1170477694.db2.gz	UFRKJLSEGCMXMR-MNOVXSKESA-N	-1	0	303.322	0.248	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1	ZINC001607565874	1170477916	/nfs/dbraw/zinc/47/79/16/1170477916.db2.gz	JXDHVOXIGFLJJP-VIFPVBQESA-N	-1	0	315.289	0.856	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)ncc1C#N	ZINC001607671035	1170492341	/nfs/dbraw/zinc/49/23/41/1170492341.db2.gz	JSTKPUHMROLSLI-GXSJLCMTSA-N	-1	0	316.317	0.522	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)ncc1C#N	ZINC001607671036	1170492478	/nfs/dbraw/zinc/49/24/78/1170492478.db2.gz	JSTKPUHMROLSLI-KOLCDFICSA-N	-1	0	316.317	0.522	20	30		DCEDRM
Cc1occc1C(=O)NCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001608055569	1170558842	/nfs/dbraw/zinc/55/88/42/1170558842.db2.gz	KFOLHNFTHZWQOZ-UHFFFAOYSA-N	-1	0	319.317	0.535	20	30		DCEDRM
Cn1ncc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1N	ZINC001608156791	1170601057	/nfs/dbraw/zinc/60/10/57/1170601057.db2.gz	ZCYQHNXOQVGCHY-UHFFFAOYSA-N	-1	0	300.274	0.929	20	30		DCEDRM
N#CC1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CCC1	ZINC001608172416	1170609312	/nfs/dbraw/zinc/60/93/12/1170609312.db2.gz	UXOLVQRZJJCMIK-OAHLLOKOSA-N	-1	0	307.350	0.068	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)Nc2ccnc3ccnn32)CC1	ZINC001608172759	1170609477	/nfs/dbraw/zinc/60/94/77/1170609477.db2.gz	OSZMGAWURYGDJS-UHFFFAOYSA-N	-1	0	314.305	0.952	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CCO1	ZINC001608178732	1170610389	/nfs/dbraw/zinc/61/03/89/1170610389.db2.gz	AYIKNKYZXKUULV-VWYCJHECSA-N	-1	0	302.352	0.184	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)CC1	ZINC001608180345	1170610606	/nfs/dbraw/zinc/61/06/06/1170610606.db2.gz	XQJOPIZHJPJGQV-UHFFFAOYSA-N	-1	0	319.292	0.722	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccc(N2CCNC2=O)cc1	ZINC001608185465	1170611574	/nfs/dbraw/zinc/61/15/74/1170611574.db2.gz	SIZLOKJMJCUIES-UHFFFAOYSA-N	-1	0	316.317	0.657	20	30		DCEDRM
N#CCCN1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1	ZINC001608184830	1170611748	/nfs/dbraw/zinc/61/17/48/1170611748.db2.gz	YHUUXYIHFFWNEJ-UHFFFAOYSA-N	-1	0	305.294	0.724	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cnn(C2CCCC2)c1	ZINC001608183603	1170611752	/nfs/dbraw/zinc/61/17/52/1170611752.db2.gz	IQZWNDBUYKIXOE-UHFFFAOYSA-N	-1	0	312.351	0.597	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccc(-n2ccnc2)nn1	ZINC001608185586	1170612534	/nfs/dbraw/zinc/61/25/34/1170612534.db2.gz	YCXKEMDSNUHALI-UHFFFAOYSA-N	-1	0	300.278	0.103	20	30		DCEDRM
N#CCN(CCC(=O)[O-])CC(=O)NC(=O)Nc1ccccc1	ZINC001608186818	1170612776	/nfs/dbraw/zinc/61/27/76/1170612776.db2.gz	WRWQBZIULDBYHE-UHFFFAOYSA-N	-1	0	304.306	0.635	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])ccc1F	ZINC001608194541	1170613932	/nfs/dbraw/zinc/61/39/32/1170613932.db2.gz	YSEJCTJQOVBVBW-LLVKDONJSA-N	-1	0	308.265	0.643	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1	ZINC001608199026	1170613967	/nfs/dbraw/zinc/61/39/67/1170613967.db2.gz	OUOYIMAWBNFLIF-LBPRGKRZSA-N	-1	0	311.301	0.935	20	30		DCEDRM
N#Cc1c(COC(=O)CN2CCCC2=O)cccc1C(=O)[O-]	ZINC001608191127	1170614212	/nfs/dbraw/zinc/61/42/12/1170614212.db2.gz	PTFIPLWDSPPDGB-UHFFFAOYSA-N	-1	0	302.286	0.922	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)nc1	ZINC001608205972	1170614611	/nfs/dbraw/zinc/61/46/11/1170614611.db2.gz	OWXXAIFWROFPJD-SNVBAGLBSA-N	-1	0	300.274	0.181	20	30		DCEDRM
N#Cc1ccc(C2(C(=O)N3CCO[C@H](C(=O)[O-])C3)CC2)cc1	ZINC001608203534	1170615081	/nfs/dbraw/zinc/61/50/81/1170615081.db2.gz	OVCOVQOIKGYXJA-ZDUSSCGKSA-N	-1	0	300.314	0.902	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1	ZINC001608202331	1170615265	/nfs/dbraw/zinc/61/52/65/1170615265.db2.gz	OJMBMCSXWGKWSX-STQMWFEESA-N	-1	0	314.301	0.127	20	30		DCEDRM
N#Cc1ccc(NC2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nn1	ZINC001608208787	1170615972	/nfs/dbraw/zinc/61/59/72/1170615972.db2.gz	PFQVHQKDDFNVNB-RYUDHWBXSA-N	-1	0	315.333	0.472	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCc2ncccn2)c(C(=O)[O-])c1	ZINC001608211981	1170616180	/nfs/dbraw/zinc/61/61/80/1170616180.db2.gz	PYTVRSJCMHEIEX-UHFFFAOYSA-N	-1	0	318.314	0.525	20	30		DCEDRM
N#Cc1ccncc1C(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC001608221006	1170618176	/nfs/dbraw/zinc/61/81/76/1170618176.db2.gz	PVJPNKXMPDUDIO-UHFFFAOYSA-N	-1	0	303.318	0.955	20	30		DCEDRM
N#Cc1csc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1	ZINC001608221942	1170618785	/nfs/dbraw/zinc/61/87/85/1170618785.db2.gz	BEXBKPHFOANELD-HNNXBMFYSA-N	-1	0	321.402	0.981	20	30		DCEDRM
N#Cc1ncc(C(F)(F)F)cc1N1CC[C@](O)(C(=O)[O-])C1	ZINC001608225187	1170619318	/nfs/dbraw/zinc/61/93/18/1170619318.db2.gz	IXXPSBPJLACBQO-LLVKDONJSA-N	-1	0	301.224	0.998	20	30		DCEDRM
O=C([O-])c1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)n1	ZINC001608277170	1170640996	/nfs/dbraw/zinc/64/09/96/1170640996.db2.gz	CLQOPJZAMPNURV-YABSGUDNSA-N	-1	0	312.329	0.139	20	30		DCEDRM
O=C([O-])c1cccn(CC(=O)NCC#C[C@@H]2CCCCO2)c1=O	ZINC001608378924	1170664227	/nfs/dbraw/zinc/66/42/27/1170664227.db2.gz	DCTHDRXJDHDDFR-LBPRGKRZSA-N	-1	0	318.329	0.235	20	30		DCEDRM
C=CCSCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001609059126	1170794795	/nfs/dbraw/zinc/79/47/95/1170794795.db2.gz	RTQGTDDPGXXJAL-UHFFFAOYSA-N	-1	0	315.380	0.657	20	30		DCEDRM
CC(C)c1nnc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)o1	ZINC001609107184	1170811258	/nfs/dbraw/zinc/81/12/58/1170811258.db2.gz	WKIIHPPZTLYSCE-UHFFFAOYSA-N	-1	0	300.286	0.072	20	30		DCEDRM
C#CCOc1ccc(C(=O)NCCn2cc(C(=O)[O-])nn2)cc1	ZINC001609167658	1170838084	/nfs/dbraw/zinc/83/80/84/1170838084.db2.gz	PSQQFPDLFDLMET-UHFFFAOYSA-N	-1	0	314.301	0.418	20	30		DCEDRM
C=C(C)CN(CC)C(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001609248187	1170898938	/nfs/dbraw/zinc/89/89/38/1170898938.db2.gz	BRQDSDAQPIUUPH-UHFFFAOYSA-N	-1	0	303.318	0.843	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001609290804	1170914275	/nfs/dbraw/zinc/91/42/75/1170914275.db2.gz	ZELMRIKDFYKXHY-VIFPVBQESA-N	-1	0	310.281	0.516	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC001609432179	1170975253	/nfs/dbraw/zinc/97/52/53/1170975253.db2.gz	IFDGQCQGCBELOZ-GFCCVEGCSA-N	-1	0	306.318	0.100	20	30		DCEDRM
Cc1ccn(CN2CC[C@@](F)(C#N)C2)c(=O)c1-c1nnn[n-]1	ZINC001609438170	1170976190	/nfs/dbraw/zinc/97/61/90/1170976190.db2.gz	UMJIPQKMGWFLHN-CYBMUJFWSA-N	-1	0	303.301	0.232	20	30		DCEDRM
C=CCn1nnn(CN(CC(=O)[O-])CC(F)(F)F)c1=S	ZINC001609485133	1170995424	/nfs/dbraw/zinc/99/54/24/1170995424.db2.gz	DZTOVKBGBYCJTC-UHFFFAOYSA-N	-1	0	311.289	0.901	20	30		DCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[nH]n1	ZINC001609494968	1170997824	/nfs/dbraw/zinc/99/78/24/1170997824.db2.gz	QIASDKNZYPFPCE-UHFFFAOYSA-N	-1	0	320.334	0.365	20	30		DCEDRM
C[C@H](C(=O)[O-])n1cccc1C=Nn1cnc2c(cnn2C)c1=O	ZINC001609646041	1171059169	/nfs/dbraw/zinc/05/91/69/1171059169.db2.gz	FXBHJAKJZLVWDH-SECBINFHSA-N	-1	0	314.305	0.459	20	30		DCEDRM
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC001609687260	1171067796	/nfs/dbraw/zinc/06/77/96/1171067796.db2.gz	CJTPYHHLWAWUHJ-CZUORRHYSA-N	-1	0	320.345	0.913	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001609993985	1171133112	/nfs/dbraw/zinc/13/31/12/1171133112.db2.gz	PVNFFMRUVYXLDC-SFNBMPIDSA-N	-1	0	308.334	0.793	20	30		DCEDRM
CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H]1C#N	ZINC001610078475	1171150389	/nfs/dbraw/zinc/15/03/89/1171150389.db2.gz	MYMLBXYDRNYCRA-QMMMGPOBSA-N	-1	0	314.319	0.453	20	30		DCEDRM
CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC001610106627	1171158171	/nfs/dbraw/zinc/15/81/71/1171158171.db2.gz	BVDKPYWQSPLQCH-LLVKDONJSA-N	-1	0	300.292	0.281	20	30		DCEDRM
CN(CC(C)(C)C#N)C(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001610111209	1171160540	/nfs/dbraw/zinc/16/05/40/1171160540.db2.gz	YCNNMCLXPUTRAZ-OAHLLOKOSA-N	-1	0	309.366	0.708	20	30		DCEDRM
COC(=O)C1(NC(=O)CSCC#N)CCC(C(=O)[O-])CC1	ZINC001610154041	1171180953	/nfs/dbraw/zinc/18/09/53/1171180953.db2.gz	INEVONWLWCKEBZ-UHFFFAOYSA-N	-1	0	314.363	0.546	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)nc1	ZINC001610179158	1171188426	/nfs/dbraw/zinc/18/84/26/1171188426.db2.gz	YYSOKGFTJDNKRK-BXKDBHETSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COc1ccc(OC)c(C=NOCc2cn(CC(=O)[O-])nn2)c1	ZINC001610343857	1171222815	/nfs/dbraw/zinc/22/28/15/1171222815.db2.gz	MFSROTRDFGPPGX-UHFFFAOYSA-N	-1	0	320.305	0.931	20	30		DCEDRM
Cc1cc(C#N)nc(N2CCC3(CC(C(=O)[O-])=NO3)CC2)n1	ZINC001610432543	1171235457	/nfs/dbraw/zinc/23/54/57/1171235457.db2.gz	HZGSLVKCIBNNFV-UHFFFAOYSA-N	-1	0	301.306	0.857	20	30		DCEDRM
Cc1nsc(N2CCN(C[C@](C)(O)C(=O)[O-])CC2)c1C#N	ZINC001610577861	1171259213	/nfs/dbraw/zinc/25/92/13/1171259213.db2.gz	YYEHMMCSJDLMFY-ZDUSSCGKSA-N	-1	0	310.379	0.281	20	30		DCEDRM
N#CCOc1cccc(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1	ZINC001610623219	1171271235	/nfs/dbraw/zinc/27/12/35/1171271235.db2.gz	KSVOYIFTWMYKMH-CMPLNLGQSA-N	-1	0	319.317	0.888	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCOC[C@H]2CC(=O)[O-])nc1	ZINC001610629330	1171272802	/nfs/dbraw/zinc/27/28/02/1171272802.db2.gz	RDSZWTVJQATXOD-LLVKDONJSA-N	-1	0	304.306	0.067	20	30		DCEDRM
N#Cc1cccnc1N1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001610633267	1171274226	/nfs/dbraw/zinc/27/42/26/1171274226.db2.gz	FCJPJDOYBSHYST-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCC[C@H]2CCCCO2)c(=O)[n-]c1=O	ZINC001611194312	1171354102	/nfs/dbraw/zinc/35/41/02/1171354102.db2.gz	INJKWJNCYDFOLL-GFCCVEGCSA-N	-1	0	320.349	0.286	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-]	ZINC001625165380	1171465970	/nfs/dbraw/zinc/46/59/70/1171465970.db2.gz	LLHAATRUUGIUBC-VIFPVBQESA-N	-1	0	307.256	0.580	20	30		DCEDRM
C#CCO[N-]C(=O)c1c[nH]c2cc(OC)cc(OC)c2c1=O	ZINC001632679323	1171622588	/nfs/dbraw/zinc/62/25/88/1171622588.db2.gz	UOZXMFHNBBBBGX-UHFFFAOYSA-N	-1	0	302.286	0.840	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)[N-]N1C(=O)[C@@H](C)N(C)C1=O	ZINC001633414149	1171641272	/nfs/dbraw/zinc/64/12/72/1171641272.db2.gz	FWGCRDNLGKJNJJ-MRVPVSSYSA-N	-1	0	302.290	0.494	20	30		DCEDRM
CSCCCCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001634562173	1171678445	/nfs/dbraw/zinc/67/84/45/1171678445.db2.gz	SQIWWEKMCOTBCC-UHFFFAOYSA-N	-1	0	324.406	0.860	20	30		DCEDRM
C#CC[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)OC	ZINC001637697462	1171774974	/nfs/dbraw/zinc/77/49/74/1171774974.db2.gz	SYDCMNCXMMFKEZ-LBPRGKRZSA-N	-1	0	313.313	0.873	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[Si](C)(C)c2ccccc2)c(C#N)c1=O	ZINC001639804347	1171850976	/nfs/dbraw/zinc/85/09/76/1171850976.db2.gz	WAGZWMFCLNGCQQ-UHFFFAOYSA-N	-1	0	314.421	0.512	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cccc3n[nH]cc32)c(=O)[n-]c1=O	ZINC001641034184	1171904553	/nfs/dbraw/zinc/90/45/53/1171904553.db2.gz	SXYYANYVQDJNGV-UHFFFAOYSA-N	-1	0	324.300	0.127	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCO[C@H]2CCCCO2)c(C#N)c1=O	ZINC001642655871	1171952935	/nfs/dbraw/zinc/95/29/35/1171952935.db2.gz	DKPWMAJLBPEZEI-NSHDSACASA-N	-1	0	308.338	0.290	20	30		DCEDRM
C#Cc1cccc(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)c1	ZINC001642794382	1171957009	/nfs/dbraw/zinc/95/70/09/1171957009.db2.gz	MJOYNRGNAIEDGU-UHFFFAOYSA-N	-1	0	318.340	0.986	20	30		DCEDRM
Cn1cc(C(N)=O)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)n1	ZINC001645658999	1172092046	/nfs/dbraw/zinc/09/20/46/1172092046.db2.gz	IVBBLALBQCCHIM-UHFFFAOYSA-N	-1	0	323.309	0.331	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@@H]2COC(=O)C2)CCC1	ZINC001645685479	1172101054	/nfs/dbraw/zinc/10/10/54/1172101054.db2.gz	PTFFNKCDUDGMCK-VIFPVBQESA-N	-1	0	300.336	0.079	20	30		DCEDRM
C#Cc1ccccc1CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001646148793	1172272905	/nfs/dbraw/zinc/27/29/05/1172272905.db2.gz	WLWUATLJBSBZCW-UHFFFAOYSA-N	-1	0	322.324	0.161	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCc3c(F)cc(F)cc3C2)c(C#N)c1=O	ZINC001646632484	1172448260	/nfs/dbraw/zinc/44/82/60/1172448260.db2.gz	DPSMXGDXAGRCDC-UHFFFAOYSA-N	-1	0	318.283	0.786	20	30		DCEDRM
Cc1[n-]n(-c2nccc(N3CCOCC3)n2)c(=O)c1CCC#N	ZINC001647341832	1172826162	/nfs/dbraw/zinc/82/61/62/1172826162.db2.gz	SNHBQQYIRFALRV-GFCCVEGCSA-N	-1	0	314.349	0.956	20	30		DCEDRM
CNC(=O)CCCN(C)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001647637224	1173010058	/nfs/dbraw/zinc/01/00/58/1173010058.db2.gz	IVNNUHKMQQTDSZ-UHFFFAOYSA-N	-1	0	322.390	0.979	20	30		DCEDRM
CC[C@](C)(C#N)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001650032930	1173395143	/nfs/dbraw/zinc/39/51/43/1173395143.db2.gz	IRKPQOGGYGCWDL-CABCVRRESA-N	-1	0	309.366	0.314	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCO[C@H](CC(F)(F)F)C2)c(C#N)c1=O	ZINC001650227392	1173524006	/nfs/dbraw/zinc/52/40/06/1173524006.db2.gz	CHNBLXROCOAYSZ-SSDOTTSWSA-N	-1	0	318.255	0.103	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2nnc(-c3cccc(F)c3)o2)c1=O	ZINC001652053362	1173761780	/nfs/dbraw/zinc/76/17/80/1173761780.db2.gz	RXLOKUHYYBPZMB-UHFFFAOYSA-N	-1	0	313.248	0.646	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001661861981	1174165491	/nfs/dbraw/zinc/16/54/91/1174165491.db2.gz	YHLYOTXSPJLSHZ-NHYWBVRUSA-N	-1	0	323.397	0.308	20	30		DCEDRM
COCC#CCN1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001665622014	1174539403	/nfs/dbraw/zinc/53/94/03/1174539403.db2.gz	ORBAACCWPNLJNE-GFCCVEGCSA-N	-1	0	306.366	0.220	20	30		DCEDRM
C#Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)nc1	ZINC001675030486	1175320608	/nfs/dbraw/zinc/32/06/08/1175320608.db2.gz	KSMLBRVHLROBGX-SNVBAGLBSA-N	-1	0	314.349	0.137	20	30		DCEDRM
CC(C)CCCCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001679213460	1175709609	/nfs/dbraw/zinc/70/96/09/1175709609.db2.gz	WXAXOYHUYAEZHK-UHFFFAOYSA-N	-1	0	321.381	0.946	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001686535033	1176142270	/nfs/dbraw/zinc/14/22/70/1176142270.db2.gz	HQHLTFYGEVFHAX-GWCFXTLKSA-N	-1	0	322.365	0.251	20	30		DCEDRM
C=CCOCC(=O)NC[C@H](NC(=O)c1[nH]nc(C)c1[O-])C1CC1	ZINC001687939826	1176312629	/nfs/dbraw/zinc/31/26/29/1176312629.db2.gz	MMIBOAUHXIEQLN-NSHDSACASA-N	-1	0	322.365	0.251	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001689162053	1176720557	/nfs/dbraw/zinc/72/05/57/1176720557.db2.gz	ULAFGRBYJMPUCK-JTQLQIEISA-N	-1	0	324.381	0.233	20	30		DCEDRM
N#CCNC[C@H]1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001700901765	1178797644	/nfs/dbraw/zinc/79/76/44/1178797644.db2.gz	ADBPAMKZNNATFQ-WDEREUQCSA-N	-1	0	314.349	0.034	20	30		DCEDRM
CC#CCCCC(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001701054666	1178909658	/nfs/dbraw/zinc/90/96/58/1178909658.db2.gz	XLXJYGJMKHLLKQ-UHFFFAOYSA-N	-1	0	317.393	0.952	20	30		DCEDRM
C=CCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O	ZINC001701118250	1178929663	/nfs/dbraw/zinc/92/96/63/1178929663.db2.gz	KUJSJSPDCKBEMU-VHSXEESVSA-N	-1	0	322.365	0.075	20	30		DCEDRM
C=CCCC(=O)NC1(CCO)CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001701242025	1178966812	/nfs/dbraw/zinc/96/68/12/1178966812.db2.gz	SHHRTBKQSSBPTH-UHFFFAOYSA-N	-1	0	322.365	0.083	20	30		DCEDRM
C=CCCCC(=O)N[C@@H](C)CNC(=O)c1cnc([O-])n(C)c1=O	ZINC001705143917	1180278733	/nfs/dbraw/zinc/27/87/33/1180278733.db2.gz	QCOYVEVCGDXUKY-JTQLQIEISA-N	-1	0	322.365	0.077	20	30		DCEDRM
C#CCCCC(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001705258141	1180322611	/nfs/dbraw/zinc/32/26/11/1180322611.db2.gz	DLTNVJZOUWRUOL-UHFFFAOYSA-N	-1	0	304.350	0.606	20	30		DCEDRM
C=CCCOCC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001714624859	1181446527	/nfs/dbraw/zinc/44/65/27/1181446527.db2.gz	RQCZGTBEYJVHHL-LLVKDONJSA-N	-1	0	309.370	0.184	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)C#CC2CC2)c1[O-]	ZINC001718918551	1183391447	/nfs/dbraw/zinc/39/14/47/1183391447.db2.gz	JGAIMNSCWVCNPE-ZJUUUORDSA-N	-1	0	318.377	0.850	20	30		DCEDRM
C=CCCOCC(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001721093821	1183827844	/nfs/dbraw/zinc/82/78/44/1183827844.db2.gz	OTRWKORZIBMPRL-UHFFFAOYSA-N	-1	0	310.354	0.205	20	30		DCEDRM
CC#CCCCC(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001722037913	1184148924	/nfs/dbraw/zinc/14/89/24/1184148924.db2.gz	KUQTWIWQJBJAGP-GFCCVEGCSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CCC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001731717876	1185456965	/nfs/dbraw/zinc/45/69/65/1185456965.db2.gz	YYOPFIHHOKDYCL-NHYWBVRUSA-N	-1	0	323.397	0.260	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001733758347	1186436982	/nfs/dbraw/zinc/43/69/82/1186436982.db2.gz	NETYJQFZDJOQGC-GFCCVEGCSA-N	-1	0	305.382	0.640	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1CC(CNCC#N)C1	ZINC001733959319	1186509089	/nfs/dbraw/zinc/50/90/89/1186509089.db2.gz	BVPJSCUKXWOMMQ-UHFFFAOYSA-N	-1	0	320.315	0.451	20	30		DCEDRM
C=CC(C)(C)C(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001734627560	1186710746	/nfs/dbraw/zinc/71/07/46/1186710746.db2.gz	NQAAEMWQYWONEL-UHFFFAOYSA-N	-1	0	305.382	0.971	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C#CC3CC3)[C@@H]2C)c1[O-]	ZINC001735302877	1186859081	/nfs/dbraw/zinc/85/90/81/1186859081.db2.gz	QCVWORAFYUABHK-CMPLNLGQSA-N	-1	0	316.361	0.556	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1c(OC)cccc1OC)C(=O)[O-]	ZINC000274982241	1187189611	/nfs/dbraw/zinc/18/96/11/1187189611.db2.gz	JSWSUEQGASORCT-SECBINFHSA-N	-1	0	313.331	0.459	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@@H](CC)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001738115845	1187477796	/nfs/dbraw/zinc/47/77/96/1187477796.db2.gz	OYRKTNQPWIAJRJ-BONVTDFDSA-N	-1	0	324.381	0.375	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001738406960	1187533462	/nfs/dbraw/zinc/53/34/62/1187533462.db2.gz	MMXXEGFJTFDKAN-SNVBAGLBSA-N	-1	0	324.381	0.233	20	30		DCEDRM
CCCN(C(=O)C#CC1CC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001753315621	1188562670	/nfs/dbraw/zinc/56/26/70/1188562670.db2.gz	BXVAKUGCVHELTF-ZDUSSCGKSA-N	-1	0	317.393	0.737	20	30		DCEDRM
CN(CC#N)C[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001753359579	1188573332	/nfs/dbraw/zinc/57/33/32/1188573332.db2.gz	YMOVLZYNZGCIGZ-JTQLQIEISA-N	-1	0	315.333	0.846	20	30		DCEDRM
C#Cc1ccc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cc1	ZINC001754167627	1188766783	/nfs/dbraw/zinc/76/67/83/1188766783.db2.gz	UCAOOVYCSMXTSA-ONEGZZNKSA-N	-1	0	311.345	0.567	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)CO[C@H]1CCOC1	ZINC001771618482	1190451643	/nfs/dbraw/zinc/45/16/43/1190451643.db2.gz	UXWAVTNWPOTSRX-LBPRGKRZSA-N	-1	0	324.358	0.477	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CCc2nnc[nH]2)c1	ZINC001771620594	1190452750	/nfs/dbraw/zinc/45/27/50/1190452750.db2.gz	FUYGTXZTGFLPQT-UHFFFAOYSA-N	-1	0	319.346	0.255	20	30		DCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1	ZINC001771821201	1190513638	/nfs/dbraw/zinc/51/36/38/1190513638.db2.gz	RKKHALPWRGMBRQ-UHFFFAOYSA-N	-1	0	323.374	0.920	20	30		DCEDRM
COc1cc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)ccc1C	ZINC001772114821	1190610758	/nfs/dbraw/zinc/61/07/58/1190610758.db2.gz	RAFOPJKFJPISJV-UHFFFAOYSA-N	-1	0	314.345	0.917	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CNc2ccc(C#N)cn2)c1[O-]	ZINC001107688817	752222364	/nfs/dbraw/zinc/22/23/64/752222364.db2.gz	NUDMRCXCYBIFID-MRVPVSSYSA-N	-1	0	300.322	0.921	20	30		DCEDRM
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1Cc1n[nH]c(=O)[n-]1	ZINC001088511551	749536569	/nfs/dbraw/zinc/53/65/69/749536569.db2.gz	SEQRLLBDAAIHOE-SCZZXKLOSA-N	-1	0	315.337	0.103	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)Nc2nccnc2C#N)c1[O-]	ZINC001112992146	762074829	/nfs/dbraw/zinc/07/48/29/762074829.db2.gz	WCWPOSSFHCTYQP-SFYZADRCSA-N	-1	0	315.337	0.704	20	30		DCEDRM
C=C(Cl)CN1CC(N(C)C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001044016869	752518886	/nfs/dbraw/zinc/51/88/86/752518886.db2.gz	BFJMPEOVPOVIOB-UHFFFAOYSA-N	-1	0	321.768	0.531	20	30		DCEDRM
C#CCn1cc(C[N-]S(=O)(=O)c2csnc2OC)cn1	ZINC001212445916	753429367	/nfs/dbraw/zinc/42/93/67/753429367.db2.gz	WVOFJANSNYDTHJ-UHFFFAOYSA-N	-1	0	312.376	0.460	20	30		DCEDRM
C#CCN1CC[C@@](C)(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001046772501	753937739	/nfs/dbraw/zinc/93/77/39/753937739.db2.gz	UNSDIJVQXFMBQC-OAHLLOKOSA-N	-1	0	300.318	0.756	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001054101756	756365374	/nfs/dbraw/zinc/36/53/74/756365374.db2.gz	DQPVUINISZPEGI-IAQYHMDHSA-N	-1	0	318.381	0.484	20	30		DCEDRM
Cc1nnc2ccc(C([O-])=C(C#N)C(=O)c3nccn3C)cn12	ZINC001122714347	767861992	/nfs/dbraw/zinc/86/19/92/767861992.db2.gz	KCCIOXICVGGARX-LLVKDONJSA-N	-1	0	308.301	0.977	20	30		DCEDRM
N#CCN[C@H]1C[C@@H](CNC(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001086214717	759858692	/nfs/dbraw/zinc/85/86/92/759858692.db2.gz	ITAFWAZCODPUDN-PHIMTYICSA-N	-1	0	311.345	0.957	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3ncccc3C#N)C2)c1[O-]	ZINC001058328909	759894551	/nfs/dbraw/zinc/89/45/51/759894551.db2.gz	ZOYOUBOIAJZGKY-LLVKDONJSA-N	-1	0	312.333	0.699	20	30		DCEDRM
O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001109257636	761339023	/nfs/dbraw/zinc/33/90/23/761339023.db2.gz	GCMVVTPMCNZJTH-WOPDTQHZSA-N	-1	0	301.350	0.145	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001070670087	761386267	/nfs/dbraw/zinc/38/62/67/761386267.db2.gz	XNTYXEJUARDXSA-GFCCVEGCSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001123961179	768086069	/nfs/dbraw/zinc/08/60/69/768086069.db2.gz	JDFLGFWZWXVYAT-SNVBAGLBSA-N	-1	0	300.322	0.789	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCNc2ccncc2C#N)c1[O-]	ZINC001101555447	764153261	/nfs/dbraw/zinc/15/32/61/764153261.db2.gz	SGFFRZPNDQQSIL-UHFFFAOYSA-N	-1	0	300.322	0.296	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H](C)Nc2cncc(C#N)n2)c1[O-]	ZINC001115671991	765787305	/nfs/dbraw/zinc/78/73/05/765787305.db2.gz	YUPSZAXNARDHGI-MRVPVSSYSA-N	-1	0	315.337	0.658	20	30		DCEDRM
Cn1c(C=NOCC(N)=O)c(Br)cc1C(=O)[O-]	ZINC001116458126	765872161	/nfs/dbraw/zinc/87/21/61/765872161.db2.gz	WJKJATMKWZTNJA-UHFFFAOYSA-N	-1	0	304.100	0.322	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccccc1CC(=O)NC	ZINC001118313871	766285834	/nfs/dbraw/zinc/28/58/34/766285834.db2.gz	RKURETUWUHAPMU-SNVBAGLBSA-N	-1	0	305.334	0.536	20	30		DCEDRM
C=CCn1nnnc1SCc1nc2c(c(=O)[nH]1)COCC2	ZINC001118985341	766494807	/nfs/dbraw/zinc/49/48/07/766494807.db2.gz	PVVGRXCPALMLFS-UHFFFAOYSA-N	-1	0	306.351	0.720	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCNc2ncc(C#N)cc2F)c1[O-]	ZINC001093585807	768639493	/nfs/dbraw/zinc/63/94/93/768639493.db2.gz	YEEPICMMVALEHU-UHFFFAOYSA-N	-1	0	304.285	0.671	20	30		DCEDRM
CCOC(=O)C[C@H]1C(=O)NCCN1Cc1cc(C#N)ccc1[O-]	ZINC001232676371	769330512	/nfs/dbraw/zinc/33/05/12/769330512.db2.gz	IHHGWNOMYAZFKE-ZDUSSCGKSA-N	-1	0	317.345	0.517	20	30		DCEDRM
N#Cc1ccc([O-])c(CN2CC(N3CCS(=O)(=O)CC3)C2)c1	ZINC001232678870	769332192	/nfs/dbraw/zinc/33/21/92/769332192.db2.gz	SBCDGCBFDUSNTC-UHFFFAOYSA-N	-1	0	321.402	0.178	20	30		DCEDRM
COC(=O)c1ccn(CC(=O)[N-]Oc2cccc(C#N)c2)n1	ZINC001151437094	769341676	/nfs/dbraw/zinc/34/16/76/769341676.db2.gz	HXBABZZDEQIYQP-UHFFFAOYSA-N	-1	0	300.274	0.652	20	30		DCEDRM
C=C[C@@H]1O[C@@H](Oc2[nH]c(=O)nc3cn[n-]c32)[C@H]2OC(C)(C)O[C@@H]12	ZINC001233945861	769505345	/nfs/dbraw/zinc/50/53/45/769505345.db2.gz	WOSYXGMIRLVETM-GCWIYAPXSA-N	-1	0	320.305	0.456	20	30		DCEDRM
CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1	ZINC001152794289	769642388	/nfs/dbraw/zinc/64/23/88/769642388.db2.gz	PWTLFEFWYJDFLG-SECBINFHSA-N	-1	0	317.353	0.350	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccnc(OCC)n1	ZINC001234439809	769656701	/nfs/dbraw/zinc/65/67/01/769656701.db2.gz	UBDKDHHHWROVEJ-JTQLQIEISA-N	-1	0	318.351	0.713	20	30		DCEDRM
CSc1nc(Cl)c(C#N)c(N[C@@H]2SC(=O)[N-]C2=O)n1	ZINC001155838047	770634612	/nfs/dbraw/zinc/63/46/12/770634612.db2.gz	WIHWIEFPKUMUOC-SSDOTTSWSA-N	-1	0	315.767	0.866	20	30		DCEDRM
N#Cc1nc(Cl)c(NCC[N-]C(=O)C(F)(F)F)nc1C#N	ZINC001156203036	770747338	/nfs/dbraw/zinc/74/73/38/770747338.db2.gz	DRSPPGXXQVCTQX-UHFFFAOYSA-N	-1	0	318.646	0.964	20	30		DCEDRM
C=C(C)C(=O)OCCNC(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180176307	771068668	/nfs/dbraw/zinc/06/86/68/771068668.db2.gz	VOPMNZZCDHPRDY-UHFFFAOYSA-N	-1	0	301.192	0.577	20	30		DCEDRM
COc1nc(NC(=N)SCCS(=O)(=O)[O-])ncc1C#N	ZINC001157321933	771585990	/nfs/dbraw/zinc/58/59/90/771585990.db2.gz	JIHFJDQZVALQER-UHFFFAOYSA-N	-1	0	317.352	0.325	20	30		DCEDRM
N#Cc1ncc(Cl)nc1NC(=N)SCCS(=O)(=O)[O-]	ZINC001157322022	771586369	/nfs/dbraw/zinc/58/63/69/771586369.db2.gz	MHVNNVCJKGBOCX-UHFFFAOYSA-N	-1	0	321.771	0.969	20	30		DCEDRM
N#C[C@H]1CN(C(=O)COc2ccc(OCC(=O)[O-])cc2)CCO1	ZINC001183907576	771720738	/nfs/dbraw/zinc/72/07/38/771720738.db2.gz	XJXJRLGLJSCIQJ-ZDUSSCGKSA-N	-1	0	320.301	0.280	20	30		DCEDRM
N#Cc1cc(C#N)c(Nc2c([S-])[nH]c(=O)[nH]c2=O)nc1Cl	ZINC001160848373	772122527	/nfs/dbraw/zinc/12/25/27/772122527.db2.gz	JQHRQVZDWGRFDO-ZCFIWIBFSA-N	-1	0	320.721	0.426	20	30		DCEDRM
CNC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187768992	772216055	/nfs/dbraw/zinc/21/60/55/772216055.db2.gz	HMTWJNGFDPKRCJ-UHFFFAOYSA-N	-1	0	319.346	0.750	20	30		DCEDRM
CNC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190731939	772669878	/nfs/dbraw/zinc/66/98/78/772669878.db2.gz	VJOKKWRUNUCZAO-UHFFFAOYSA-N	-1	0	319.346	0.750	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1	ZINC001191868685	772836748	/nfs/dbraw/zinc/83/67/48/772836748.db2.gz	XXYDOBDGGHJRFR-OLZOCXBDSA-N	-1	0	321.425	0.743	20	30		DCEDRM
N#C[C@@H]1CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1	ZINC001192702871	772949001	/nfs/dbraw/zinc/94/90/01/772949001.db2.gz	QLYGGYIFNHEHCB-JTQLQIEISA-N	-1	0	310.331	0.684	20	30		DCEDRM
C[NH+]1CCN(Cc2ccccc2NS(=O)(=O)CC#N)CC1	ZINC001192971993	772989617	/nfs/dbraw/zinc/98/96/17/772989617.db2.gz	DJXPOIVRFMAANH-UHFFFAOYSA-N	-1	0	308.407	0.699	20	30		DCEDRM
Cc1nc([N-]S(=O)(=O)[C@H](C)C#N)cc(N2CCOCC2)n1	ZINC001193106795	773005723	/nfs/dbraw/zinc/00/57/23/773005723.db2.gz	KCWCNIREOUQZLP-SECBINFHSA-N	-1	0	311.367	0.275	20	30		DCEDRM
COc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193149094	773018213	/nfs/dbraw/zinc/01/82/13/773018213.db2.gz	KXALFBRPHMCPOG-QMMMGPOBSA-N	-1	0	318.376	0.752	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001206485929	773081243	/nfs/dbraw/zinc/08/12/43/773081243.db2.gz	PDYDARLAAIEIGX-GRYCIOLGSA-N	-1	0	323.397	0.428	20	30		DCEDRM
COC(=O)[C@]1(C)COCCN1C(=O)c1cccc(C#N)c1[O-]	ZINC001193646840	773097523	/nfs/dbraw/zinc/09/75/23/773097523.db2.gz	ORFUTTXOUMYVIN-HNNXBMFYSA-N	-1	0	304.302	0.668	20	30		DCEDRM
COC(=O)c1cc(C(=O)N=C(NO)c2ccc(OC)cn2)n[n-]1	ZINC001194298633	773172081	/nfs/dbraw/zinc/17/20/81/773172081.db2.gz	ZJDMKOHBFCHLNY-UHFFFAOYSA-N	-1	0	319.277	0.166	20	30		DCEDRM
N#C[C@@H]1CNCCN1C(=O)c1c([O-])c(F)c(F)c(F)c1F	ZINC001195291585	773371333	/nfs/dbraw/zinc/37/13/33/773371333.db2.gz	ZQXUXPLYZFSVPC-RXMQYKEDSA-N	-1	0	303.215	0.886	20	30		DCEDRM
COC(=O)CCCCS(=O)(=O)[N-]c1cnn(C)c1C#N	ZINC001196926010	773663325	/nfs/dbraw/zinc/66/33/25/773663325.db2.gz	YJAMNPMDEBKGME-UHFFFAOYSA-N	-1	0	300.340	0.377	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001110502497	773858629	/nfs/dbraw/zinc/85/86/29/773858629.db2.gz	NCGPELJZITXLBB-YYHMBLRTSA-N	-1	0	321.381	0.059	20	30		DCEDRM
C=CCN1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1	ZINC001198760274	773975953	/nfs/dbraw/zinc/97/59/53/773975953.db2.gz	FMTLLGQVSFLVAJ-UHFFFAOYSA-N	-1	0	310.375	0.877	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCCN1CCSCC1)C(=O)[O-]	ZINC000316294834	774940155	/nfs/dbraw/zinc/94/01/55/774940155.db2.gz	ITRYHLGTHLLVDN-NSHDSACASA-N	-1	0	301.412	0.754	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1noc(COC)n1	ZINC001222463463	775358572	/nfs/dbraw/zinc/35/85/72/775358572.db2.gz	PLRFXVQHPLQSRT-VIFPVBQESA-N	-1	0	322.339	0.192	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cnc(C)nc1	ZINC001223508891	775497278	/nfs/dbraw/zinc/49/72/78/775497278.db2.gz	OVAOHQFQRJVULE-GFCCVEGCSA-N	-1	0	302.352	0.761	20	30		DCEDRM
C=CCCCCO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001224336130	775560354	/nfs/dbraw/zinc/56/03/54/775560354.db2.gz	BFMQAIOLQVNICS-ZDUSSCGKSA-N	-1	0	307.412	0.948	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](OCCS(=O)(=O)[O-])C1	ZINC001224568742	775584163	/nfs/dbraw/zinc/58/41/63/775584163.db2.gz	MTPHZCMZUQBPRV-NXEZZACHSA-N	-1	0	320.367	0.650	20	30		DCEDRM
CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2C=CC(=O)C2)c1[N+](=O)[O-]	ZINC001226015281	775755475	/nfs/dbraw/zinc/75/54/75/775755475.db2.gz	DOYGLVGEYIRNGK-SSDOTTSWSA-N	-1	0	309.234	0.544	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncnc2[nH]ccc21	ZINC001226043882	775759608	/nfs/dbraw/zinc/75/96/08/775759608.db2.gz	JJVGNVLGYRSNCP-SECBINFHSA-N	-1	0	313.335	0.796	20	30		DCEDRM
CC(=O)OC[C@@H](COc1[n-]c(=O)cc(C)c1C#N)OC(C)=O	ZINC001226220777	775784614	/nfs/dbraw/zinc/78/46/14/775784614.db2.gz	ATPQDLKVVKNRFT-NSHDSACASA-N	-1	0	308.290	0.841	20	30		DCEDRM
CN1[C@@H]2C[C@@H](Oc3[n-]c(=O)nc4ncsc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC001227609472	775989290	/nfs/dbraw/zinc/98/92/90/775989290.db2.gz	HGOSDDOJJBMPOU-ZFGVLOSHSA-N	-1	0	306.347	0.783	20	30		DCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001588406475	1166551763	/nfs/dbraw/zinc/55/17/63/1166551763.db2.gz	URBSRMQNNQEFSY-QMMMGPOBSA-N	-1	0	313.339	0.065	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])n(CN(CCC#N)CC2CC2)n1	ZINC001598924171	1168061322	/nfs/dbraw/zinc/06/13/22/1168061322.db2.gz	CVUARMCTSVEIFS-UHFFFAOYSA-N	-1	0	306.322	0.951	20	30		DCEDRM
Cc1nc(C#N)cc(NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])n1	ZINC001600683786	1168250806	/nfs/dbraw/zinc/25/08/06/1168250806.db2.gz	VINAPOYWGUANDB-NSHDSACASA-N	-1	0	305.338	0.684	20	30		DCEDRM
N#Cc1ncc(Br)cc1N1CC[C@](O)(C(=O)[O-])C1	ZINC001601134687	1168593123	/nfs/dbraw/zinc/59/31/23/1168593123.db2.gz	XNNMJUMKOFLFGI-LLVKDONJSA-N	-1	0	312.123	0.742	20	30		DCEDRM
C#CC[C@H](NC(=O)c1c(C)[nH]nc1Br)C(=O)[O-]	ZINC001602692783	1169162002	/nfs/dbraw/zinc/16/20/02/1169162002.db2.gz	SJNICCDEWFUTSU-LURJTMIESA-N	-1	0	300.112	0.687	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)N(C)CCC(=O)[O-]	ZINC001602747102	1169178123	/nfs/dbraw/zinc/17/81/23/1169178123.db2.gz	KTFOKBHJZOZUDP-JQWIXIFHSA-N	-1	0	306.384	0.209	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1cc(C(=O)OC)nn1C)C(=O)[O-]	ZINC001602872529	1169196462	/nfs/dbraw/zinc/19/64/62/1169196462.db2.gz	UOCSSQXYXOULRT-SECBINFHSA-N	-1	0	309.322	0.746	20	30		DCEDRM
N#CCNC[C@@H]1CCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001277980345	945080966	/nfs/dbraw/zinc/08/09/66/945080966.db2.gz	GWYPYCYPDZSOCD-VIFPVBQESA-N	-1	0	301.306	0.646	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001481699731	940050548	/nfs/dbraw/zinc/05/05/48/940050548.db2.gz	QYIUKRPFQWCYOP-WDEREUQCSA-N	-1	0	309.370	0.182	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001270674400	940962862	/nfs/dbraw/zinc/96/28/62/940962862.db2.gz	PNFUWJPULRSQHN-NWDGAFQWSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C#CCN1CC[C@]2(CCCN2C(=O)c2cnc[nH]c2=O)C1=O	ZINC001271629295	941413485	/nfs/dbraw/zinc/41/34/85/941413485.db2.gz	ARQGJEYFZFULJA-OAHLLOKOSA-N	-1	0	300.318	0.023	20	30		DCEDRM
C[C@@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC[S@](=O)C1	ZINC001412971381	942163784	/nfs/dbraw/zinc/16/37/84/942163784.db2.gz	DBPNLYPOUAFFRO-STFLBKPXSA-N	-1	0	319.390	0.507	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCC3=C(CCC(=O)N3)C1)cc2=O	ZINC001413029628	942217155	/nfs/dbraw/zinc/21/71/55/942217155.db2.gz	QCJUPIWPBARIHP-UHFFFAOYSA-N	-1	0	324.344	0.676	20	30		DCEDRM
CCOC[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001413074103	942473716	/nfs/dbraw/zinc/47/37/16/942473716.db2.gz	XDEOYSVKFWFCAD-GFCCVEGCSA-N	-1	0	320.349	0.238	20	30		DCEDRM
C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2cc(=O)[nH][n-]2)C1=O	ZINC001272287736	942666089	/nfs/dbraw/zinc/66/60/89/942666089.db2.gz	ZSLUNVZPJHARJY-HNNXBMFYSA-N	-1	0	304.350	0.899	20	30		DCEDRM
COC(=O)C(F)(F)C[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC001365466668	942803983	/nfs/dbraw/zinc/80/39/83/942803983.db2.gz	AAYOOQMTONAWID-UHFFFAOYSA-N	-1	0	310.322	0.798	20	30		DCEDRM
CC1(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC(F)(F)C1	ZINC001413516575	943040675	/nfs/dbraw/zinc/04/06/75/943040675.db2.gz	RLBWFCDNQICPFN-UHFFFAOYSA-N	-1	0	312.276	0.515	20	30		DCEDRM
C#CCN(C(=O)/C(C)=C/C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001483982472	943068874	/nfs/dbraw/zinc/06/88/74/943068874.db2.gz	VSYZGBJGFSZASC-LFYBBSHMSA-N	-1	0	317.393	0.903	20	30		DCEDRM
C=CCCCC(=O)NCCNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC	ZINC001491472482	944021526	/nfs/dbraw/zinc/02/15/26/944021526.db2.gz	NSHBMXPQBOYHQW-UHFFFAOYSA-N	-1	0	324.337	0.099	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2C[C@H]3CCC[C@H]32)c(=O)[n-]c1=O	ZINC001413779684	944086742	/nfs/dbraw/zinc/08/67/42/944086742.db2.gz	YXDUKFQXZKZODH-YUSALJHKSA-N	-1	0	302.334	0.515	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCC)Cc1n[nH]c(=O)[n-]1	ZINC001317545812	945038253	/nfs/dbraw/zinc/03/82/53/945038253.db2.gz	LGSAAEBFDMHNLF-NEPJUHHUSA-N	-1	0	323.397	0.430	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001487415663	945722951	/nfs/dbraw/zinc/72/29/51/945722951.db2.gz	QLBLJGHECOJRFV-HGNGGELXSA-N	-1	0	305.338	0.208	20	30		DCEDRM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@@H](C#N)C1CC1	ZINC001251801702	945784575	/nfs/dbraw/zinc/78/45/75/945784575.db2.gz	QZRXRCTUQVBXKV-LBPRGKRZSA-N	-1	0	324.344	0.909	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-]	ZINC001321658146	946416394	/nfs/dbraw/zinc/41/63/94/946416394.db2.gz	PFBSXYCCDIVYBL-ZJUUUORDSA-N	-1	0	301.364	0.347	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-]	ZINC001321658145	946417910	/nfs/dbraw/zinc/41/79/10/946417910.db2.gz	PFBSXYCCDIVYBL-VHSXEESVSA-N	-1	0	301.364	0.347	20	30		DCEDRM
O=C1COc2ccc(C=Nn3c(=O)cn[nH]c3=S)cc2N1	ZINC001255889860	946558261	/nfs/dbraw/zinc/55/82/61/946558261.db2.gz	IRPZFAPTXJTKCP-UHFFFAOYSA-N	-1	0	303.303	0.140	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1	ZINC001602674902	971243827	/nfs/dbraw/zinc/24/38/27/971243827.db2.gz	DVUTWKIOBCSFQX-BFHYXJOUSA-N	-1	0	320.389	0.818	20	30		DCEDRM
C#CCCCNC(=O)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602675607	971251818	/nfs/dbraw/zinc/25/18/18/971251818.db2.gz	CJMVKTPYLXRISF-BWBHSNQOSA-N	-1	0	322.361	0.045	20	30		DCEDRM
C=CC[C@H](NC(=O)Cn1nnc(-c2ccc(C)cc2)n1)C(=O)[O-]	ZINC001256550684	946642242	/nfs/dbraw/zinc/64/22/42/946642242.db2.gz	JXDKJUFQKPPJBY-LBPRGKRZSA-N	-1	0	315.333	0.794	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCCC[P@](=O)([O-])O)cc1	ZINC001258163620	946806900	/nfs/dbraw/zinc/80/69/00/946806900.db2.gz	UJMIMNJVBQLKPB-UHFFFAOYSA-N	-1	0	318.291	0.794	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CC[C@H](C(F)(F)F)O1	ZINC001602685653	971282112	/nfs/dbraw/zinc/28/21/12/971282112.db2.gz	CPQPFDICZWUIOA-RKDXNWHRSA-N	-1	0	308.256	0.826	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(OC(F)F)cn1	ZINC001602685829	971283056	/nfs/dbraw/zinc/28/30/56/971283056.db2.gz	GRGZOEDANBDJGM-UHFFFAOYSA-N	-1	0	313.260	0.912	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc2c(c1)CC(=O)N2C	ZINC001602688816	971292653	/nfs/dbraw/zinc/29/26/53/971292653.db2.gz	XCRKJWYGRUGKFT-UHFFFAOYSA-N	-1	0	301.302	0.757	20	30		DCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1C#N	ZINC001259377844	946951787	/nfs/dbraw/zinc/95/17/87/946951787.db2.gz	BXWQFNXZLJLZPZ-UHFFFAOYSA-N	-1	0	319.302	0.939	20	30		DCEDRM
C=CCS(=O)(=O)N[C@@H](COC)C(=O)OCc1ccccc1	ZINC001259934290	947025889	/nfs/dbraw/zinc/02/58/89/947025889.db2.gz	LVKWBLKAECHCQF-ZDUSSCGKSA-N	-1	0	313.375	0.850	20	30		DCEDRM
N#CC1(C[N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CC1	ZINC001260180620	947078630	/nfs/dbraw/zinc/07/86/30/947078630.db2.gz	UPGAIYKETRHEDA-UHFFFAOYSA-N	-1	0	312.742	0.360	20	30		DCEDRM
Cc1cc(Cl)nc([N-]S(=O)(=O)CS(C)(=O)=O)c1C#N	ZINC001260585261	947117581	/nfs/dbraw/zinc/11/75/81/947117581.db2.gz	WFZGSCKZLYOZAJ-UHFFFAOYSA-N	-1	0	323.783	0.659	20	30		DCEDRM
Cc1cc(C#N)c([N-]S(=O)(=O)CS(C)(=O)=O)cc1F	ZINC001260593360	947121957	/nfs/dbraw/zinc/12/19/57/947121957.db2.gz	JUBCIDUIFMYRML-UHFFFAOYSA-N	-1	0	306.340	0.750	20	30		DCEDRM
COCCO[N-]C(=O)C(=O)N[C@H](CCC#N)c1ccccc1	ZINC001323680135	947167431	/nfs/dbraw/zinc/16/74/31/947167431.db2.gz	BGFRSHSBVJEFIF-CYBMUJFWSA-N	-1	0	305.334	0.842	20	30		DCEDRM
C=CCn1c([C@@H](O)C=C)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001602730294	971407933	/nfs/dbraw/zinc/40/79/33/971407933.db2.gz	ZUYAOMNTDPFAMV-JRPNMDOOSA-N	-1	0	320.349	0.221	20	30		DCEDRM
C=CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1C1(O)CCOCC1	ZINC001602730064	971404802	/nfs/dbraw/zinc/40/48/02/971404802.db2.gz	RFSSREPYPZEWPH-LLVKDONJSA-N	-1	0	322.365	0.373	20	30		DCEDRM
C#CCN1CCN(c2nnc(-c3c[n-]n(CC)c3=O)n2C)CC1	ZINC001262912516	947783350	/nfs/dbraw/zinc/78/33/50/947783350.db2.gz	BPOBGSCQCJABRI-UHFFFAOYSA-N	-1	0	315.381	0.159	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1	ZINC001325743856	947907960	/nfs/dbraw/zinc/90/79/60/947907960.db2.gz	QSERMURJGHGDSY-ABAIWWIYSA-N	-1	0	310.350	0.113	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C2CCOCC2)CCOCC1	ZINC001325886281	947966092	/nfs/dbraw/zinc/96/60/92/947966092.db2.gz	ZPXNNUYJFITNHL-UHFFFAOYSA-N	-1	0	317.407	0.984	20	30		DCEDRM
N#Cc1ncc(N2C[C@]3(CCCO3)[C@@H]2C2CC2)nc1-c1nnn[n-]1	ZINC001570923195	948656714	/nfs/dbraw/zinc/65/67/14/948656714.db2.gz	VOMWVIRDRBFBHQ-DZGCQCFKSA-N	-1	0	324.348	0.676	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](n2ccnn2)CC1	ZINC001602779078	971514252	/nfs/dbraw/zinc/51/42/52/971514252.db2.gz	QUJZDKCQIKJRJO-SMDDNHRTSA-N	-1	0	305.338	0.836	20	30		DCEDRM
CCO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1CNCC#N	ZINC001264525520	948994514	/nfs/dbraw/zinc/99/45/14/948994514.db2.gz	LFUGAOJTGUKWMX-GHMZBOCLSA-N	-1	0	307.354	0.014	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1	ZINC001488658149	949086617	/nfs/dbraw/zinc/08/66/17/949086617.db2.gz	MAXPDJRQAQWULB-NSHDSACASA-N	-1	0	305.382	0.899	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(C(=O)OC)c1	ZINC000092480111	949152471	/nfs/dbraw/zinc/15/24/71/949152471.db2.gz	JOZFEGXVGAOZIJ-UHFFFAOYSA-N	-1	0	311.315	0.182	20	30		DCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H](O)c1cccc(F)c1	ZINC001364543958	949528249	/nfs/dbraw/zinc/52/82/49/949528249.db2.gz	SDZVDXNHSQVDHE-PRHODGIISA-N	-1	0	318.308	0.618	20	30		DCEDRM
C#CCOCCC(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001265645249	949838462	/nfs/dbraw/zinc/83/84/62/949838462.db2.gz	MFQLNNRMOCHPPC-LBPRGKRZSA-N	-1	0	321.381	0.021	20	30		DCEDRM
C=CCCn1cc(CN[C@@H](Cn2cc(Cl)cn2)C(=O)[O-])nn1	ZINC001330123839	950133621	/nfs/dbraw/zinc/13/36/21/950133621.db2.gz	QCLHWXFQEQJXMM-LBPRGKRZSA-N	-1	0	324.772	0.947	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001490528739	950769231	/nfs/dbraw/zinc/76/92/31/950769231.db2.gz	QYIUKRPFQWCYOP-MNOVXSKESA-N	-1	0	309.370	0.182	20	30		DCEDRM
CC1(C)C[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCO1	ZINC001575631548	950773283	/nfs/dbraw/zinc/77/32/83/950773283.db2.gz	PFWUKRCYCYXDIA-ZETCQYMHSA-N	-1	0	316.325	0.605	20	30		DCEDRM
CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H]21	ZINC001591006099	951042263	/nfs/dbraw/zinc/04/22/63/951042263.db2.gz	SSKIXGNHGHOVEL-KVQFHVITSA-N	-1	0	308.334	0.649	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c2c(nn1C)CCSC2	ZINC001331453094	951125381	/nfs/dbraw/zinc/12/53/81/951125381.db2.gz	LPQXGOVLGLRGRJ-UHFFFAOYSA-N	-1	0	313.404	0.292	20	30		DCEDRM
CCO[C@@H]1C[C@@](O)(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C1(C)C	ZINC001591761417	951202618	/nfs/dbraw/zinc/20/26/18/951202618.db2.gz	FLFCRARURYTOLE-VCTAVGKDSA-N	-1	0	312.366	0.673	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)[N-]OCCC(F)(F)F	ZINC001332043144	951448682	/nfs/dbraw/zinc/44/86/82/951448682.db2.gz	IHVVFKYQJPZFAL-IUCAKERBSA-N	-1	0	310.272	0.694	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1	ZINC001332946005	951860317	/nfs/dbraw/zinc/86/03/17/951860317.db2.gz	RJCCPPBWHGQCMJ-RYUDHWBXSA-N	-1	0	312.366	0.263	20	30		DCEDRM
C=CCn1nnnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC001333673958	952129341	/nfs/dbraw/zinc/12/93/41/952129341.db2.gz	RGTMOCWFTUFNAV-SNVBAGLBSA-N	-1	0	304.276	0.506	20	30		DCEDRM
O=C([O-])Cn1cccc1C=NNS(=O)(=O)c1ccccc1	ZINC001595157887	952174009	/nfs/dbraw/zinc/17/40/09/952174009.db2.gz	HKEGUALQMIPMKQ-UHFFFAOYSA-N	-1	0	307.331	0.885	20	30		DCEDRM
CCO[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001411688733	952385584	/nfs/dbraw/zinc/38/55/84/952385584.db2.gz	RURSCCNHMHMYHO-GFCCVEGCSA-N	-1	0	320.349	0.238	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccoc2Cl)c(=O)[n-]c1=O	ZINC001412375257	952768976	/nfs/dbraw/zinc/76/89/76/952768976.db2.gz	SNGHSAVVWKVBBV-UHFFFAOYSA-N	-1	0	308.681	0.497	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@H]2CCC(F)(F)C2)c(=O)[n-]c1=O	ZINC001412643444	952962775	/nfs/dbraw/zinc/96/27/75/952962775.db2.gz	PWPAMEYCJUORQI-VIFPVBQESA-N	-1	0	312.276	0.515	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CCc3onc(C(N)=O)c3C2)c1[O-]	ZINC001276215518	953012724	/nfs/dbraw/zinc/01/27/24/953012724.db2.gz	LVEPDTXLWBLIIV-UHFFFAOYSA-N	-1	0	312.285	0.549	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@]2(CC2(F)F)C1	ZINC001338945910	953063428	/nfs/dbraw/zinc/06/34/28/953063428.db2.gz	FJNUDSJSYXRNNM-CYBMUJFWSA-N	-1	0	322.319	0.924	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@H]1CSCN1C(=O)CCC)C(=O)[O-]	ZINC001339863058	953125492	/nfs/dbraw/zinc/12/54/92/953125492.db2.gz	YEQNUAWUDPQEPD-VHSXEESVSA-N	-1	0	300.380	0.834	20	30		DCEDRM
C=CC[C@H](NC(=O)Cc1cnn(-c2ccccc2)n1)C(=O)[O-]	ZINC001339865332	953126317	/nfs/dbraw/zinc/12/63/17/953126317.db2.gz	UARMKZGYWIZZEQ-ZDUSSCGKSA-N	-1	0	300.318	0.955	20	30		DCEDRM
CNc1cc(C([O-])=C(C#N)C(=O)NCCOC)cc(Cl)n1	ZINC001341884580	953256363	/nfs/dbraw/zinc/25/63/63/953256363.db2.gz	AFFWUQXRLOHIBR-VIFPVBQESA-N	-1	0	310.741	0.862	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1conc1COC	ZINC001341938979	953259802	/nfs/dbraw/zinc/25/98/02/953259802.db2.gz	WOOFSGKUAUMQPY-JTQLQIEISA-N	-1	0	309.322	0.686	20	30		DCEDRM
Cc1cnn(C)c1C([O-])=C(C#N)C(=O)NCCCOC(C)C	ZINC001342021730	953264296	/nfs/dbraw/zinc/26/42/96/953264296.db2.gz	PXSONIKEVJNDLI-LBPRGKRZSA-N	-1	0	306.366	0.982	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H]2C[C@H]2C1	ZINC001343690252	953366202	/nfs/dbraw/zinc/36/62/02/953366202.db2.gz	IIDDRAWGVJDGEG-QWRGUYRKSA-N	-1	0	300.366	0.924	20	30		DCEDRM
C#CCCCC(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001281931946	953419583	/nfs/dbraw/zinc/41/95/83/953419583.db2.gz	GOLJEXNITHWSDI-LBPRGKRZSA-N	-1	0	305.382	0.737	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC2CCN(CC#N)CC2)C1	ZINC001589273747	953439093	/nfs/dbraw/zinc/43/90/93/953439093.db2.gz	GGJWBALXIHLBOV-NWDGAFQWSA-N	-1	0	308.382	0.727	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(CNC(N)=O)cc1	ZINC001344540675	953496262	/nfs/dbraw/zinc/49/62/62/953496262.db2.gz	LEHKLIFJSNFORI-GFCCVEGCSA-N	-1	0	300.318	0.480	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(C)s1	ZINC001347360651	954079041	/nfs/dbraw/zinc/07/90/41/954079041.db2.gz	FITHXKTZMZMURQ-UHFFFAOYSA-N	-1	0	314.388	0.256	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)CC[C@@H]1C(=O)[O-]	ZINC001589367818	954208200	/nfs/dbraw/zinc/20/82/00/954208200.db2.gz	ZYOJLKXZJONEOH-KOLCDFICSA-N	-1	0	316.317	0.461	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(c1ccc(C#N)nn1)C[C@@H]2C(=O)[O-]	ZINC001593825215	955096666	/nfs/dbraw/zinc/09/66/66/955096666.db2.gz	GKLBQEJKTXUDCT-QMJNDHNRSA-N	-1	0	316.317	0.438	20	30		DCEDRM
Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594523814	955484183	/nfs/dbraw/zinc/48/41/83/955484183.db2.gz	WXYLOFUASVWKIC-BZNIZROVSA-N	-1	0	317.345	0.883	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC000387427725	972122825	/nfs/dbraw/zinc/12/28/25/972122825.db2.gz	MAQBKQFBXOMZCX-NSHDSACASA-N	-1	0	323.271	0.337	20	30		DCEDRM
C=CCC(C)(C)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001285644909	955872745	/nfs/dbraw/zinc/87/27/45/955872745.db2.gz	BLUDBHMFPXXWBF-MRVPVSSYSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001285651238	955879292	/nfs/dbraw/zinc/87/92/92/955879292.db2.gz	PMATWQZRCPVKMD-MRVPVSSYSA-N	-1	0	323.353	0.120	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1CN1CCC2(CC1)CC(=O)C=CO2	ZINC001594572004	955897173	/nfs/dbraw/zinc/89/71/73/955897173.db2.gz	QRARWAQORHJBEO-UHFFFAOYSA-N	-1	0	305.334	0.956	20	30		DCEDRM
C=CCOCC(=O)NCC1(NC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001285914080	956062746	/nfs/dbraw/zinc/06/27/46/956062746.db2.gz	SEMMUPARTNSPME-UHFFFAOYSA-N	-1	0	308.338	0.005	20	30		DCEDRM
N#CCC1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	ZINC001594606186	956179014	/nfs/dbraw/zinc/17/90/14/956179014.db2.gz	QFISNTVPXMVFMA-NSHDSACASA-N	-1	0	301.368	0.406	20	30		DCEDRM
N#Cc1cc(CS(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cs1	ZINC001594617128	956246512	/nfs/dbraw/zinc/24/65/12/956246512.db2.gz	YPFHVQUCOQZFMZ-NSHDSACASA-N	-1	0	316.360	0.283	20	30		DCEDRM
N#Cc1ccc([C@@H]2CN(C(=O)COCC(=O)[O-])CCO2)cc1	ZINC001594618052	956259044	/nfs/dbraw/zinc/25/90/44/956259044.db2.gz	AHXAECDFYMTHQV-ZDUSSCGKSA-N	-1	0	304.302	0.559	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@H](c1cncn1C)N(C)C)C(=O)[O-]	ZINC001354072988	956273348	/nfs/dbraw/zinc/27/33/48/956273348.db2.gz	UQLVCYJLQCJDRQ-WCQYABFASA-N	-1	0	308.382	0.949	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1	ZINC001594622658	956290689	/nfs/dbraw/zinc/29/06/89/956290689.db2.gz	DURJPYBKYSEMIJ-LRDDRELGSA-N	-1	0	315.329	0.530	20	30		DCEDRM
C[C@@](O)(CNS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC001589147653	956311853	/nfs/dbraw/zinc/31/18/53/956311853.db2.gz	JARZWZWWFPQKHC-LLVKDONJSA-N	-1	0	304.368	0.215	20	30		DCEDRM
N#Cc1cccc(CNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)c1	ZINC001594626102	956316165	/nfs/dbraw/zinc/31/61/65/956316165.db2.gz	UAEMDWADHBZCMO-UHFFFAOYSA-N	-1	0	324.296	0.906	20	30		DCEDRM
N#Cc1cccc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1	ZINC001594628332	956329679	/nfs/dbraw/zinc/32/96/79/956329679.db2.gz	KRFJQKDCZHAVIM-XPTSAGLGSA-N	-1	0	302.290	0.518	20	30		DCEDRM
N#Cc1ccnnc1N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001594631920	956348427	/nfs/dbraw/zinc/34/84/27/956348427.db2.gz	ROSJFUGIZFPCQW-NSHDSACASA-N	-1	0	315.333	0.250	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)c2ccc(C(=O)[O-])nc2)c1N	ZINC001594634289	956360984	/nfs/dbraw/zinc/36/09/84/956360984.db2.gz	GXDSPWJYFKTNAE-UHFFFAOYSA-N	-1	0	301.262	0.287	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)n1	ZINC001594635661	956371058	/nfs/dbraw/zinc/37/10/58/956371058.db2.gz	QCYWKSZWIVHRDA-NSHDSACASA-N	-1	0	311.301	0.755	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(CC#N)CC2)C1	ZINC001589187288	956566379	/nfs/dbraw/zinc/56/63/79/956566379.db2.gz	PBRZDHNWEKZJRB-HNNXBMFYSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@H](C(C)C)C1	ZINC001356038421	956766852	/nfs/dbraw/zinc/76/68/52/956766852.db2.gz	PPLLYZZOTBRVOJ-LBPRGKRZSA-N	-1	0	318.381	0.549	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)OCc1cn(CC(=O)[O-])nn1	ZINC001594274363	957708048	/nfs/dbraw/zinc/70/80/48/957708048.db2.gz	BVQSZCQZSWOBOE-UHFFFAOYSA-N	-1	0	301.262	0.295	20	30		DCEDRM
C=CCCC(=O)NCCN(C)C(=O)c1c[n-]n2c1nccc2=O	ZINC001296020940	957872550	/nfs/dbraw/zinc/87/25/50/957872550.db2.gz	LXLKYUPKFZSNPA-UHFFFAOYSA-N	-1	0	317.349	0.177	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@]2(C)CCC(=O)N2)cc1C#N	ZINC001361399597	957929453	/nfs/dbraw/zinc/92/94/53/957929453.db2.gz	UBNTWKJYHMDWSQ-AWEZNQCLSA-N	-1	0	320.374	0.779	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588388528	957995533	/nfs/dbraw/zinc/99/55/33/957995533.db2.gz	BXJOPCRVSCPLTI-DOMZBBRYSA-N	-1	0	312.366	0.548	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001588389179	958005449	/nfs/dbraw/zinc/00/54/49/958005449.db2.gz	OUMAFZXGHHUKPF-ZDUSSCGKSA-N	-1	0	318.329	0.156	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(C(=O)CC)cc1	ZINC001588396142	958048119	/nfs/dbraw/zinc/04/81/19/958048119.db2.gz	VFCYBLBFXXEGLO-UHFFFAOYSA-N	-1	0	316.313	0.764	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H](C)NC(=O)c1ccccc1	ZINC001588400385	958080887	/nfs/dbraw/zinc/08/08/87/958080887.db2.gz	WQHKSKWTYBGCFA-LBPRGKRZSA-N	-1	0	302.330	0.741	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1COC2(CCCCC2)O1	ZINC001588408663	958114466	/nfs/dbraw/zinc/11/44/66/958114466.db2.gz	XUUYIWRGLCYTDW-LBPRGKRZSA-N	-1	0	310.350	0.792	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cccc2c1OCCO2	ZINC001588408811	958117383	/nfs/dbraw/zinc/11/73/83/958117383.db2.gz	GGDBVXSWJLYWGD-UHFFFAOYSA-N	-1	0	304.302	0.687	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCN(c2ncccc2F)C1	ZINC001588409557	958129411	/nfs/dbraw/zinc/12/94/11/958129411.db2.gz	GQUWUPRMMNZCGQ-LLVKDONJSA-N	-1	0	320.324	0.529	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C2CCOCC2)nn1C	ZINC001588417245	958169216	/nfs/dbraw/zinc/16/92/16/958169216.db2.gz	DOCVCLIXEUZPMZ-UHFFFAOYSA-N	-1	0	305.334	0.474	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnc(N2CCCCC2)n1	ZINC001588419026	958189951	/nfs/dbraw/zinc/18/99/51/958189951.db2.gz	MSEAXRXVEWPSTP-UHFFFAOYSA-N	-1	0	302.334	0.627	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccnc1N1CCOCC1	ZINC001588419047	958191458	/nfs/dbraw/zinc/19/14/58/958191458.db2.gz	NQXIDXHEYCJQDP-UHFFFAOYSA-N	-1	0	303.318	0.078	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC001588425247	958224349	/nfs/dbraw/zinc/22/43/49/958224349.db2.gz	KOVREFHJBASPTR-UHFFFAOYSA-N	-1	0	310.306	0.547	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C[C@H](O)c2cccnc2)n1C	ZINC001588426808	958233484	/nfs/dbraw/zinc/23/34/84/958233484.db2.gz	COSZYUXCWRPCCX-LBPRGKRZSA-N	-1	0	315.333	0.010	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCC(=O)N2C(C)C)n1C	ZINC001588427023	958238826	/nfs/dbraw/zinc/23/88/26/958238826.db2.gz	KGPOCBXTQVAVLL-LLVKDONJSA-N	-1	0	319.365	0.411	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)CC)n1C[C@@H]1CCCO1	ZINC001588427170	958241219	/nfs/dbraw/zinc/24/12/19/958241219.db2.gz	PGBQEFVIWKJSKJ-RYUDHWBXSA-N	-1	0	322.365	0.425	20	30		DCEDRM
C#CCN(CCC(=O)NC(=O)NCc1ccccc1)CC(=O)[O-]	ZINC001588432301	958278597	/nfs/dbraw/zinc/27/85/97/958278597.db2.gz	JVOIUJMPWAACCK-UHFFFAOYSA-N	-1	0	317.345	0.422	20	30		DCEDRM
C#CCSCCn1nnnc1N1CCC(C)(C(=O)[O-])CC1	ZINC001588433987	958301183	/nfs/dbraw/zinc/30/11/83/958301183.db2.gz	XZOPMMRUHZJXHS-UHFFFAOYSA-N	-1	0	309.395	0.731	20	30		DCEDRM
C=C(C)Cn1c(CCO)nnc1N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588442362	958344361	/nfs/dbraw/zinc/34/43/61/958344361.db2.gz	HMXPIZXXZYUZIW-OAHLLOKOSA-N	-1	0	324.381	0.317	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001297803470	958345648	/nfs/dbraw/zinc/34/56/48/958345648.db2.gz	WZDKZQCYLYIOJK-LLVKDONJSA-N	-1	0	318.333	0.323	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN1CCOC[C@H]1C	ZINC001361799336	958346948	/nfs/dbraw/zinc/34/69/48/958346948.db2.gz	TUGRCLTUQWHRIF-LLVKDONJSA-N	-1	0	304.350	0.418	20	30		DCEDRM
CN(Cc1ccccn1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361876656	958438824	/nfs/dbraw/zinc/43/88/24/958438824.db2.gz	DMAUHJRPXGRINP-UHFFFAOYSA-N	-1	0	313.317	0.264	20	30		DCEDRM
C=CCN(C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001588460359	958473383	/nfs/dbraw/zinc/47/33/83/958473383.db2.gz	AIXAHUDVWCBKPZ-LBPRGKRZSA-N	-1	0	309.366	0.812	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC001588465543	958505153	/nfs/dbraw/zinc/50/51/53/958505153.db2.gz	RYJJTFVOJGSNGL-SECBINFHSA-N	-1	0	300.311	0.288	20	30		DCEDRM
C=CCNC(=O)[C@H](C)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001588465693	958506904	/nfs/dbraw/zinc/50/69/04/958506904.db2.gz	YCPXBAWXKVFRRD-NWDGAFQWSA-N	-1	0	323.393	0.075	20	30		DCEDRM
C=CCn1c([C@H](O)COC)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588471996	958538347	/nfs/dbraw/zinc/53/83/47/958538347.db2.gz	HKNDKQQVZYGOPN-QMTHXVAHSA-N	-1	0	310.354	0.445	20	30		DCEDRM
C=CCn1c(N2CCC[C@H](C(=O)[O-])C2)nnc1[C@]1(O)CCOC1	ZINC001588472309	958541948	/nfs/dbraw/zinc/54/19/48/958541948.db2.gz	MDEIWXOSNRYDEO-NHYWBVRUSA-N	-1	0	322.365	0.373	20	30		DCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cccc2[nH]c(CO)nc21	ZINC001298542036	958641686	/nfs/dbraw/zinc/64/16/86/958641686.db2.gz	QOSYQUCRJGYMEW-JTQLQIEISA-N	-1	0	304.306	0.165	20	30		DCEDRM
CC[C@H]1CCCC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362046932	958649665	/nfs/dbraw/zinc/64/96/65/958649665.db2.gz	ZBLRTFCOLQOMOP-CMPLNLGQSA-N	-1	0	304.350	0.906	20	30		DCEDRM
C=CCn1cc(CNC(=O)Nc2cc(C(=O)[O-])ccn2)nn1	ZINC001573379057	958659087	/nfs/dbraw/zinc/65/90/87/958659087.db2.gz	QZZIAVNWMMECTN-UHFFFAOYSA-N	-1	0	302.294	0.879	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCCC[C@@H]2C(N)=O)cc1C#N	ZINC001362092060	958722855	/nfs/dbraw/zinc/72/28/55/958722855.db2.gz	KCDLLEGFYJEOAA-SNVBAGLBSA-N	-1	0	320.374	0.861	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1	ZINC001362133465	958796833	/nfs/dbraw/zinc/79/68/33/958796833.db2.gz	ZEQHBPFIDDIELR-JQWIXIFHSA-N	-1	0	304.350	0.416	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC(=O)N(CC(F)(F)F)C1	ZINC001588535506	958930670	/nfs/dbraw/zinc/93/06/70/958930670.db2.gz	OSVSWEOKXCFLKZ-JTQLQIEISA-N	-1	0	307.228	0.182	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C(C)(C)C1	ZINC001588538237	958939093	/nfs/dbraw/zinc/93/90/93/958939093.db2.gz	FYSUSHRIYOHGEM-TVQRCGJNSA-N	-1	0	316.379	0.463	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC1	ZINC001588543632	958981304	/nfs/dbraw/zinc/98/13/04/958981304.db2.gz	OMWQGRCZYZPWIC-HFBDOXOYSA-N	-1	0	308.334	0.839	20	30		DCEDRM
C[C@@H](C#N)CN(C1CC1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC001588543671	958982273	/nfs/dbraw/zinc/98/22/73/958982273.db2.gz	PSGQRDCODVNFPW-ONGXEEELSA-N	-1	0	301.368	0.404	20	30		DCEDRM
C[C@H](C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)n1cnc(C#N)n1	ZINC001588547026	959001273	/nfs/dbraw/zinc/00/12/73/959001273.db2.gz	FGNGYNHDVURETF-WYUUTHIRSA-N	-1	0	317.349	0.955	20	30		DCEDRM
C[C@@H]1CC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H](C)C1	ZINC001362293878	959086651	/nfs/dbraw/zinc/08/66/51/959086651.db2.gz	PWIGOCGIZDVWNB-FOGDFJRCSA-N	-1	0	304.350	0.761	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000159569055	959119845	/nfs/dbraw/zinc/11/98/45/959119845.db2.gz	WOFGSKVKESETHM-SNVBAGLBSA-N	-1	0	312.734	0.966	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccccc1C(=O)OC)C(=O)[O-]	ZINC000159582129	959122277	/nfs/dbraw/zinc/12/22/77/959122277.db2.gz	IGNGDQUQCBZDFG-JTQLQIEISA-N	-1	0	311.315	0.228	20	30		DCEDRM
CCC[C@@]1(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCOC1	ZINC001362433148	959347488	/nfs/dbraw/zinc/34/74/88/959347488.db2.gz	QDOHKLLSSVXELL-OAHLLOKOSA-N	-1	0	320.349	0.286	20	30		DCEDRM
C[C@H](CN(C)C(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001573587390	959374009	/nfs/dbraw/zinc/37/40/09/959374009.db2.gz	VODAQFGPYTVJLM-TWLKNAOBSA-N	-1	0	309.322	0.082	20	30		DCEDRM
C[Si](C)(C)C#CCCNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001594247216	959586741	/nfs/dbraw/zinc/58/67/41/959586741.db2.gz	MIJZNFSDPOAGGR-UHFFFAOYSA-N	-1	0	320.421	0.934	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)OCc1cn(CC(=O)[O-])nn1	ZINC001594253082	959629829	/nfs/dbraw/zinc/62/98/29/959629829.db2.gz	OIIBCDTYZDFARB-UHFFFAOYSA-N	-1	0	300.274	0.900	20	30		DCEDRM
C[C@@]1(C#N)CCN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1	ZINC001573644470	959632281	/nfs/dbraw/zinc/63/22/81/959632281.db2.gz	ZERJXVJJSDJXAU-NHYWBVRUSA-N	-1	0	322.365	0.397	20	30		DCEDRM
N#Cc1cc(F)cc(C2(C(=O)Nn3c(=O)[n-][nH]c3=O)CC2)c1	ZINC001362655892	959776269	/nfs/dbraw/zinc/77/62/69/959776269.db2.gz	LNWONIDJKQNQHP-UHFFFAOYSA-N	-1	0	303.253	0.502	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362689163	959836138	/nfs/dbraw/zinc/83/61/38/959836138.db2.gz	OONXJJYJTRAEFO-UHFFFAOYSA-N	-1	0	323.312	0.431	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC[C@@H]2CC2(F)F)c(=O)[n-]c1=O	ZINC001362707732	959865308	/nfs/dbraw/zinc/86/53/08/959865308.db2.gz	DPRLHHBISJUAEE-SECBINFHSA-N	-1	0	312.276	0.372	20	30		DCEDRM
Cc1c(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cnn1CCC#N	ZINC001362707493	959866882	/nfs/dbraw/zinc/86/68/82/959866882.db2.gz	HEIDFYCXMWRQQM-LLVKDONJSA-N	-1	0	314.353	0.638	20	30		DCEDRM
C=C(Cl)CN(C)CCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001492447987	959964702	/nfs/dbraw/zinc/96/47/02/959964702.db2.gz	NGQABUYBCBMPJL-UHFFFAOYSA-N	-1	0	309.757	0.437	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)CNC(=O)c2ncccc2O)c1	ZINC001302371092	960022739	/nfs/dbraw/zinc/02/27/39/960022739.db2.gz	CPMZKCKDPNPFIC-UHFFFAOYSA-N	-1	0	312.285	0.499	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@]23CCC(=O)N2CCS3)[n-]c1C#N	ZINC001362867105	960108769	/nfs/dbraw/zinc/10/87/69/960108769.db2.gz	TXHXORPQAJCIJA-LBPRGKRZSA-N	-1	0	302.319	0.157	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCS(=O)(=O)CC[C@H]1C	ZINC001362906394	960160685	/nfs/dbraw/zinc/16/06/85/960160685.db2.gz	NJOZZXPVNXLLBX-SNVBAGLBSA-N	-1	0	323.374	0.617	20	30		DCEDRM
CC[C@H](COCC1CC1)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362950014	960215385	/nfs/dbraw/zinc/21/53/85/960215385.db2.gz	UAEQFCQYCNDWSU-GFCCVEGCSA-N	-1	0	320.349	0.142	20	30		DCEDRM
C[C@H](OC(=O)c1ccc(C(=O)[O-])cn1)C(=O)NC1(C#N)CCC1	ZINC001603274194	972490906	/nfs/dbraw/zinc/49/09/06/972490906.db2.gz	HLSYJVGJDPRVCM-VIFPVBQESA-N	-1	0	317.301	0.888	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC2CC(CO)(CO)C2)cc1C#N	ZINC001363059441	960357649	/nfs/dbraw/zinc/35/76/49/960357649.db2.gz	PSIKCTYVMQPSMH-UHFFFAOYSA-N	-1	0	323.374	0.244	20	30		DCEDRM
COC[C@@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1	ZINC001363197169	960581893	/nfs/dbraw/zinc/58/18/93/960581893.db2.gz	PPADLQNIKRVCPD-LBPRGKRZSA-N	-1	0	303.322	0.154	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363327603	960903032	/nfs/dbraw/zinc/90/30/32/960903032.db2.gz	SKCCEBCKIAEJCY-UWVGGRQHSA-N	-1	0	307.281	0.693	20	30		DCEDRM
N#Cc1ccc(CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)nc1	ZINC001571079202	960972849	/nfs/dbraw/zinc/97/28/49/960972849.db2.gz	AIORUAMGWCBKIQ-QWHCGFSZSA-N	-1	0	303.318	0.982	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(CC#N)n2)C1	ZINC001571084378	961031202	/nfs/dbraw/zinc/03/12/02/961031202.db2.gz	BJTFEZHNTBMNLF-AWEZNQCLSA-N	-1	0	304.306	0.855	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2nnc(C)c(C)c2C#N)C[C@@H]1C(=O)[O-]	ZINC001571085680	961056511	/nfs/dbraw/zinc/05/65/11/961056511.db2.gz	SBVBNXOBRMMEOM-WDEREUQCSA-N	-1	0	304.306	0.275	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001573872741	961221790	/nfs/dbraw/zinc/22/17/90/961221790.db2.gz	IIZGDBLLGHEOSY-DTWKUNHWSA-N	-1	0	305.338	0.365	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C2CC2)nc1	ZINC001571102595	961244789	/nfs/dbraw/zinc/24/47/89/961244789.db2.gz	OPXPNFXCAXZRIV-LLVKDONJSA-N	-1	0	309.347	0.732	20	30		DCEDRM
COC(=O)N(C)CCCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571111344	961331615	/nfs/dbraw/zinc/33/16/15/961331615.db2.gz	KIAAPOZGMDVUGC-UHFFFAOYSA-N	-1	0	311.338	0.682	20	30		DCEDRM
N#C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nc2)CCN1C1CC1	ZINC001571126863	961516372	/nfs/dbraw/zinc/51/63/72/961516372.db2.gz	XRTZXGRNVZJBGS-LBPRGKRZSA-N	-1	0	315.333	0.984	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@H](CN(C)c2ncc(C(=O)[O-])cn2)C1	ZINC001571133673	961598068	/nfs/dbraw/zinc/59/80/68/961598068.db2.gz	USOJCZUXMSZYDW-GHMZBOCLSA-N	-1	0	317.349	0.619	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](O)c1ccnn1C	ZINC001363654571	961634656	/nfs/dbraw/zinc/63/46/56/961634656.db2.gz	OPNVDYVXQLJSCI-NSHDSACASA-N	-1	0	301.306	0.164	20	30		DCEDRM
CC(=O)NC1CCC(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	ZINC001571154276	961837937	/nfs/dbraw/zinc/83/79/37/961837937.db2.gz	JTLZIGQONRPNLW-UHFFFAOYSA-N	-1	0	321.377	0.898	20	30		DCEDRM
CC(C)O[C@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001363815752	961951670	/nfs/dbraw/zinc/95/16/70/961951670.db2.gz	UOERVXPBDQONPU-LBPRGKRZSA-N	-1	0	320.349	0.237	20	30		DCEDRM
C[C@@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)c1nn(C)cc1[O-]	ZINC001363832914	961980293	/nfs/dbraw/zinc/98/02/93/961980293.db2.gz	POQLENDMYRNSDF-YMTOWFKASA-N	-1	0	300.318	0.908	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H]1C1CC1	ZINC001574076967	962276551	/nfs/dbraw/zinc/27/65/51/962276551.db2.gz	ZUFZWYHFSIKCLT-FIXISWKDSA-N	-1	0	308.334	0.649	20	30		DCEDRM
CCOC(=O)c1n[nH]c(CNC(=O)c2cc(C#N)oc2C)n1	ZINC001364061560	962392814	/nfs/dbraw/zinc/39/28/14/962392814.db2.gz	KCMQGLQDDXBNAC-UHFFFAOYSA-N	-1	0	303.278	0.685	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1ccnn1-c1ccc(C#N)cc1	ZINC001574103813	962412839	/nfs/dbraw/zinc/41/28/39/962412839.db2.gz	BIMOOXXUMFBFJL-GFCCVEGCSA-N	-1	0	300.274	0.782	20	30		DCEDRM
Cc1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1F	ZINC001364091014	962446935	/nfs/dbraw/zinc/44/69/35/962446935.db2.gz	MFRAIVNQNHINKY-UHFFFAOYSA-N	-1	0	302.265	0.907	20	30		DCEDRM
COc1ccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)c(OC)c1	ZINC001364134202	962536060	/nfs/dbraw/zinc/53/60/60/962536060.db2.gz	ZLTXAQRYXJLSPR-UHFFFAOYSA-N	-1	0	302.290	0.706	20	30		DCEDRM
CC(C)Oc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cn1	ZINC001364147260	962556545	/nfs/dbraw/zinc/55/65/45/962556545.db2.gz	MJBVQTFNAXZVEN-UHFFFAOYSA-N	-1	0	315.333	0.740	20	30		DCEDRM
C#CCCCCCC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)[O-])C1	ZINC001573302446	962653546	/nfs/dbraw/zinc/65/35/46/962653546.db2.gz	WGPDDOKHYOWODE-CYBMUJFWSA-N	-1	0	323.393	0.945	20	30		DCEDRM
C#CCCCCC(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573302616	962657310	/nfs/dbraw/zinc/65/73/10/962657310.db2.gz	CWUOVEDVKNRHRS-OLZOCXBDSA-N	-1	0	306.362	0.475	20	30		DCEDRM
COC(=O)C[C@@H]1CC[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001364249132	962748702	/nfs/dbraw/zinc/74/87/02/962748702.db2.gz	KUSNUNSUPGJEHJ-BDAKNGLRSA-N	-1	0	306.322	0.089	20	30		DCEDRM
C[C@H](CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1	ZINC001588992749	962804523	/nfs/dbraw/zinc/80/45/23/962804523.db2.gz	APGZHGDVTSWQGH-PWSUYJOCSA-N	-1	0	315.329	0.891	20	30		DCEDRM
Cc1ccoc1CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364279698	962806308	/nfs/dbraw/zinc/80/63/08/962806308.db2.gz	MOZBOIBMDRFNKN-UHFFFAOYSA-N	-1	0	317.305	0.221	20	30		DCEDRM
CC(C)[C@]1(C)C[C@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364295799	962845087	/nfs/dbraw/zinc/84/50/87/962845087.db2.gz	NFCVXEFLMQLZIF-ABAIWWIYSA-N	-1	0	319.365	0.554	20	30		DCEDRM
C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CNC(=O)[O-])C2)CC1	ZINC001573343546	962905707	/nfs/dbraw/zinc/90/57/07/962905707.db2.gz	HHSVGRQCPAVEON-LBPRGKRZSA-N	-1	0	309.366	0.718	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)c(=O)[n-]c1=O	ZINC001364347246	962934338	/nfs/dbraw/zinc/93/43/38/962934338.db2.gz	REWCRWRNFFUSSB-ZMLRMANQSA-N	-1	0	317.349	0.308	20	30		DCEDRM
C=CCOCC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573368442	963080142	/nfs/dbraw/zinc/08/01/42/963080142.db2.gz	FARLFPOEMNBGND-VXGBXAGGSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001573369687	963100256	/nfs/dbraw/zinc/10/02/56/963100256.db2.gz	XGYRLVWEKMVTJO-VHSXEESVSA-N	-1	0	301.339	0.736	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC001588435320	964019844	/nfs/dbraw/zinc/01/98/44/964019844.db2.gz	LMRKMCBMAQZQKA-GFCCVEGCSA-N	-1	0	311.359	0.746	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000316766946	964052812	/nfs/dbraw/zinc/05/28/12/964052812.db2.gz	JRQVVPJJXFRUSV-GFCCVEGCSA-N	-1	0	324.358	0.617	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@H](C)C#N)c1[O-]	ZINC001371640871	967193680	/nfs/dbraw/zinc/19/36/80/967193680.db2.gz	YNTONUXJYZTGIA-PSASIEDQSA-N	-1	0	305.338	0.256	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000126086395	967620964	/nfs/dbraw/zinc/62/09/64/967620964.db2.gz	XMWAOZNOCZSBPJ-UHFFFAOYSA-N	-1	0	312.734	0.920	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000387268668	968145086	/nfs/dbraw/zinc/14/50/86/968145086.db2.gz	LSDWNIRQRFSKHX-UHFFFAOYSA-N	-1	0	316.266	0.442	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NCc2ccccc2CC(=O)[O-])CCO1	ZINC000317216801	970338484	/nfs/dbraw/zinc/33/84/84/970338484.db2.gz	KPLPANZVDCUAJI-CYBMUJFWSA-N	-1	0	303.318	0.748	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001609267563	970421044	/nfs/dbraw/zinc/42/10/44/970421044.db2.gz	YMOODOXZTAVAGU-VIFPVBQESA-N	-1	0	310.281	0.780	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001609623793	970422147	/nfs/dbraw/zinc/42/21/47/970422147.db2.gz	COXBSXKIVFRUPX-UHFFFAOYSA-N	-1	0	312.325	0.486	20	30		DCEDRM
CC#CC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001609645806	970434165	/nfs/dbraw/zinc/43/41/65/970434165.db2.gz	OXZMKOYEZHIYCA-OCCSQVGLSA-N	-1	0	300.314	0.553	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001603290300	972545040	/nfs/dbraw/zinc/54/50/40/972545040.db2.gz	KNYPFWKQUSGALY-IAQYHMDHSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CNc2ccc(C#N)cn2)C1	ZINC001603360897	972830382	/nfs/dbraw/zinc/83/03/82/972830382.db2.gz	ZTBNBJNDGBGRKV-CMPLNLGQSA-N	-1	0	302.334	0.934	20	30		DCEDRM
Cc1cc(N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c(C#N)cn1	ZINC001605213503	972957353	/nfs/dbraw/zinc/95/73/53/972957353.db2.gz	PBHIFXIRRUVCFV-GFCCVEGCSA-N	-1	0	302.334	0.561	20	30		DCEDRM
C[C@H]1CCCN(C(=O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001603408109	973077219	/nfs/dbraw/zinc/07/72/19/973077219.db2.gz	ZLDMQKSKUNAQRY-NHYWBVRUSA-N	-1	0	309.366	0.756	20	30		DCEDRM
COC(=O)c1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC001604385456	973107012	/nfs/dbraw/zinc/10/70/12/973107012.db2.gz	NIHPSVJPUVDFPP-CQSZACIVSA-N	-1	0	305.290	0.489	20	30		DCEDRM
C[C@H]1CCN(C(=O)NC2CCN(CC#N)CC2)C[C@H]1C(=O)[O-]	ZINC001603417110	973125826	/nfs/dbraw/zinc/12/58/26/973125826.db2.gz	MGPVUZQBFADRLX-WCQYABFASA-N	-1	0	308.382	0.727	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1	ZINC001604423422	973200295	/nfs/dbraw/zinc/20/02/95/973200295.db2.gz	ZXLCQYAKIWLVSU-WFASDCNBSA-N	-1	0	303.318	0.565	20	30		DCEDRM
N#CC1(CNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CCOCC1	ZINC001605575626	973838861	/nfs/dbraw/zinc/83/88/61/973838861.db2.gz	BFRFYMFKRYJGHU-NWDGAFQWSA-N	-1	0	310.350	0.693	20	30		DCEDRM
N#C[C@H]1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCN1C1CC1	ZINC001605582836	973867673	/nfs/dbraw/zinc/86/76/73/973867673.db2.gz	FQOMZSHWMVFJFZ-MDZLAQPJSA-N	-1	0	306.366	0.621	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)nc1	ZINC001605602063	973910266	/nfs/dbraw/zinc/91/02/66/973910266.db2.gz	OIMQQOUCIMDJHC-NHYWBVRUSA-N	-1	0	316.317	0.196	20	30		DCEDRM
N#Cc1ccc(Cl)cc1NC(=O)CN1CCOC[C@H]1C(=O)[O-]	ZINC001605611424	973919811	/nfs/dbraw/zinc/91/98/11/973919811.db2.gz	YDSDDDXXKXUFNK-LBPRGKRZSA-N	-1	0	323.736	0.936	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CC(=O)[O-]	ZINC001603861783	974366095	/nfs/dbraw/zinc/36/60/95/974366095.db2.gz	AYCTYBPSZAJPGI-SECBINFHSA-N	-1	0	319.317	0.875	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)cc1	ZINC001549305960	1014214735	/nfs/dbraw/zinc/21/47/35/1014214735.db2.gz	MUDLPDAWKQOXKR-CJNGLKHVSA-N	-1	0	318.329	0.840	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000717768920	977916727	/nfs/dbraw/zinc/91/67/27/977916727.db2.gz	APHPNBCWFNOCOG-QMMMGPOBSA-N	-1	0	317.750	0.701	20	30		DCEDRM
C[C@H](CCCO)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001592490681	978282130	/nfs/dbraw/zinc/28/21/30/978282130.db2.gz	GUKWIZMPLOVIOX-SECBINFHSA-N	-1	0	312.347	0.696	20	30		DCEDRM
CC[C@@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001595134641	979567581	/nfs/dbraw/zinc/56/75/81/979567581.db2.gz	ZVXZMGLHWJKKND-JTQLQIEISA-N	-1	0	319.317	0.754	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NC)o1	ZINC001449745826	1014660933	/nfs/dbraw/zinc/66/09/33/1014660933.db2.gz	LMLPDABPSDFNND-BDAKNGLRSA-N	-1	0	300.336	0.261	20	30		DCEDRM
CCCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)C#CC1CC1	ZINC001595880266	982888634	/nfs/dbraw/zinc/88/86/34/982888634.db2.gz	VZDVZYCJHZLNNJ-CHWSQXEVSA-N	-1	0	306.362	0.475	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC001573534582	983055069	/nfs/dbraw/zinc/05/50/69/983055069.db2.gz	AOPINRGDDHTNKI-OUAUKWLOSA-N	-1	0	319.383	0.077	20	30		DCEDRM
N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)c1	ZINC001574249305	983202311	/nfs/dbraw/zinc/20/23/11/983202311.db2.gz	VHUVGIWWTANXFI-QWHCGFSZSA-N	-1	0	314.345	0.713	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC001588370916	983323335	/nfs/dbraw/zinc/32/33/35/983323335.db2.gz	QVHSVHOPUNVPID-QMMMGPOBSA-N	-1	0	306.274	0.287	20	30		DCEDRM
C#C[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])c1ccccc1	ZINC001588372037	983327365	/nfs/dbraw/zinc/32/73/65/983327365.db2.gz	CAUAIVYDXPGITB-CYBMUJFWSA-N	-1	0	317.345	0.641	20	30		DCEDRM
C#C[C@H](NC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1)C(C)(C)C	ZINC001588372012	983327383	/nfs/dbraw/zinc/32/73/83/983327383.db2.gz	BMQGUDLIYWEVKY-DCAQKATOSA-N	-1	0	310.350	0.550	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1)[C@H]1CCCO1	ZINC001588376551	983352682	/nfs/dbraw/zinc/35/26/82/983352682.db2.gz	VMSJZNVRMGPWTM-QWHCGFSZSA-N	-1	0	324.358	0.547	20	30		DCEDRM
C#C[C@@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)[C@@H]1CCCO1	ZINC001588378538	983362953	/nfs/dbraw/zinc/36/29/53/983362953.db2.gz	ZRYVPCLMVLQKPE-MNOVXSKESA-N	-1	0	323.374	0.479	20	30		DCEDRM
C#CC1(O)CN(C(=O)NCCOc2ccc(C(=O)[O-])cc2)C1	ZINC001588379292	983363479	/nfs/dbraw/zinc/36/34/79/983363479.db2.gz	BXBDXLAQNRBWHV-UHFFFAOYSA-N	-1	0	304.302	0.153	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC001588382320	983370256	/nfs/dbraw/zinc/37/02/56/983370256.db2.gz	MLRSBCJJYGCWQL-STQMWFEESA-N	-1	0	306.362	0.618	20	30		DCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC001588382318	983370539	/nfs/dbraw/zinc/37/05/39/983370539.db2.gz	MLRSBCJJYGCWQL-OLZOCXBDSA-N	-1	0	306.362	0.618	20	30		DCEDRM
C#CCC(C)(C)c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1CC	ZINC001588390135	983391541	/nfs/dbraw/zinc/39/15/41/983391541.db2.gz	MAFNNGYNKMYNIQ-NSHDSACASA-N	-1	0	306.366	0.889	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1	ZINC001588393537	983398753	/nfs/dbraw/zinc/39/87/53/983398753.db2.gz	HAJDQTAQWPIRGM-NSHDSACASA-N	-1	0	320.349	0.645	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588396444	983408481	/nfs/dbraw/zinc/40/84/81/983408481.db2.gz	YUVCXLZUICRACO-LGESCRJUSA-N	-1	0	324.377	0.736	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)[O-]	ZINC001588399663	983416515	/nfs/dbraw/zinc/41/65/15/983416515.db2.gz	WYGAVLALAHPFLB-QCNOEVLYSA-N	-1	0	320.345	0.143	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(F)cc21)C(=O)[O-]	ZINC001588407301	983427983	/nfs/dbraw/zinc/42/79/83/983427983.db2.gz	YJRHFJNKRYQPHU-JQWIXIFHSA-N	-1	0	304.277	0.844	20	30		DCEDRM
C#CCC1(NC(=O)Nc2c(C(=O)[O-])cnn2C)CCOCC1	ZINC001588427751	983457681	/nfs/dbraw/zinc/45/76/81/983457681.db2.gz	KUOKYJXTLJHLEJ-UHFFFAOYSA-N	-1	0	306.322	0.812	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1	ZINC001588431900	983466321	/nfs/dbraw/zinc/46/63/21/983466321.db2.gz	QHBYBDLEZHFBDL-OLZOCXBDSA-N	-1	0	306.362	0.572	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1	ZINC001588432006	983466748	/nfs/dbraw/zinc/46/67/48/983466748.db2.gz	UTGCWOZGZOYSIK-AAEUAGOBSA-N	-1	0	304.346	0.538	20	30		DCEDRM
C#CC[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC001588433969	983468445	/nfs/dbraw/zinc/46/84/45/983468445.db2.gz	FCCJTLMVMKSMCX-LLVKDONJSA-N	-1	0	300.380	0.373	20	30		DCEDRM
C#CCCS(=O)(=O)N(CCC(=O)[O-])CC(=O)OC(C)(C)C	ZINC001588457606	983482032	/nfs/dbraw/zinc/48/20/32/983482032.db2.gz	FAXDQKLREWMFIG-UHFFFAOYSA-N	-1	0	319.379	0.458	20	30		DCEDRM
C#CCN(C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)C1CC1	ZINC001588459578	983484818	/nfs/dbraw/zinc/48/48/18/983484818.db2.gz	CIMKBNHXTYQBEF-UHFFFAOYSA-N	-1	0	316.313	0.713	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1	ZINC001588461596	983490393	/nfs/dbraw/zinc/49/03/93/983490393.db2.gz	URKYQULRZIHSHB-UHFFFAOYSA-N	-1	0	314.301	0.151	20	30		DCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001588464960	983495309	/nfs/dbraw/zinc/49/53/09/983495309.db2.gz	YEBFBDPOUFKLPY-UHFFFAOYSA-N	-1	0	320.251	0.697	20	30		DCEDRM
C#CCNC(=S)Nc1ccc(C(=O)[O-])cc1OCC(=O)NC	ZINC001588485122	983524139	/nfs/dbraw/zinc/52/41/39/983524139.db2.gz	CTBPLWODMJKZQG-UHFFFAOYSA-N	-1	0	321.358	0.429	20	30		DCEDRM
C#CCOCCC(=O)NC[C@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001588490018	983530353	/nfs/dbraw/zinc/53/03/53/983530353.db2.gz	PZSVJJOQXCZDPG-JTQLQIEISA-N	-1	0	306.322	0.131	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC001588498055	983542945	/nfs/dbraw/zinc/54/29/45/983542945.db2.gz	SNEAZTJZJSZBTG-OAHLLOKOSA-N	-1	0	322.292	0.891	20	30		DCEDRM
C#CCn1ccc(CN(CC)CC(=O)N[C@H](C(=O)[O-])C(C)C)n1	ZINC001588509972	983554432	/nfs/dbraw/zinc/55/44/32/983554432.db2.gz	WIAQXLFJJFTOMT-HNNXBMFYSA-N	-1	0	320.393	0.564	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)cc1	ZINC001588517888	983566996	/nfs/dbraw/zinc/56/69/96/983566996.db2.gz	ITTGKSBCFQKEKC-UHFFFAOYSA-N	-1	0	309.343	0.580	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cc1	ZINC001588518051	983567850	/nfs/dbraw/zinc/56/78/50/983567850.db2.gz	OBOOCFPIMMIXMO-CYBMUJFWSA-N	-1	0	319.342	0.506	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)cc1	ZINC001588518052	983567894	/nfs/dbraw/zinc/56/78/94/983567894.db2.gz	OBOOCFPIMMIXMO-ZDUSSCGKSA-N	-1	0	319.342	0.506	20	30		DCEDRM
C#Cc1cncc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(=O)OC)c1	ZINC001588528606	983577124	/nfs/dbraw/zinc/57/71/24/983577124.db2.gz	CMMUHLXARLSTBT-YPMHNXCESA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588536514	983594352	/nfs/dbraw/zinc/59/43/52/983594352.db2.gz	YBVHTNPOFMKVAV-FVCCEPFGSA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1Cn1nnnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588536966	983596603	/nfs/dbraw/zinc/59/66/03/983596603.db2.gz	WDKNQLUABSBIAE-FDYHWXHSSA-N	-1	0	321.381	0.811	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-]	ZINC001588541083	983606411	/nfs/dbraw/zinc/60/64/11/983606411.db2.gz	RTVRAOKMLOPTMJ-QWRGUYRKSA-N	-1	0	303.380	0.737	20	30		DCEDRM
C=C(C)CN(C)C(=O)C(=O)NCc1cc(C(=O)[O-])c(C)n1C	ZINC001588561479	983641534	/nfs/dbraw/zinc/64/15/34/983641534.db2.gz	FBCQTUWPQZUDRO-UHFFFAOYSA-N	-1	0	307.350	0.682	20	30		DCEDRM
C=C(C)Cn1c(C[C@H](C)O)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588598094	983681471	/nfs/dbraw/zinc/68/14/71/983681471.db2.gz	QVWQQHVGXMUYKH-IINYFYTJSA-N	-1	0	312.345	0.781	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588599201	983688579	/nfs/dbraw/zinc/68/85/79/983688579.db2.gz	IJXVIRSKRFSKOW-WRWGMCAJSA-N	-1	0	311.334	0.300	20	30		DCEDRM
C=C(CC)CNC(=O)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588605426	983692731	/nfs/dbraw/zinc/69/27/31/983692731.db2.gz	FGQWWSKEKRMDGF-BWBHSNQOSA-N	-1	0	324.377	0.597	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1	ZINC001588615610	983712955	/nfs/dbraw/zinc/71/29/55/983712955.db2.gz	ZWFNQJGYJSJHBS-AWEZNQCLSA-N	-1	0	315.391	0.835	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C	ZINC001588622711	983725048	/nfs/dbraw/zinc/72/50/48/983725048.db2.gz	CWWDVUOVGNXNES-SNVBAGLBSA-N	-1	0	316.354	0.409	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cn(C2CC2)c(=O)[nH]c1=O	ZINC001588629689	983738617	/nfs/dbraw/zinc/73/86/17/983738617.db2.gz	IJOJVUBLHNGSQD-UHFFFAOYSA-N	-1	0	307.306	0.321	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cccc(N2CCOCC2)n1	ZINC001588629702	983739054	/nfs/dbraw/zinc/73/90/54/983739054.db2.gz	IQXLIFMYXNOODS-UHFFFAOYSA-N	-1	0	319.361	0.955	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cccc(C(=O)NC(N)=O)c1	ZINC001588634111	983752236	/nfs/dbraw/zinc/75/22/36/983752236.db2.gz	RKRUZPSKXJFSQI-UHFFFAOYSA-N	-1	0	305.290	0.855	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)OCC	ZINC001588641406	983761929	/nfs/dbraw/zinc/76/19/29/983761929.db2.gz	AWMUYVLZVYRASY-KXUCPTDWSA-N	-1	0	319.741	0.809	20	30		DCEDRM
CCN(CCCNC(=O)[C@@H](C)C#N)c1ccnc(C(=O)[O-])n1	ZINC001596327252	983762510	/nfs/dbraw/zinc/76/25/10/983762510.db2.gz	VVFXLUWAMXHESX-JTQLQIEISA-N	-1	0	305.338	0.667	20	30		DCEDRM
C=C1CC(C)(C(=O)N2CC[C@@H](Nc3ccnc(C(=O)[O-])n3)C2)C1	ZINC001588643717	983767210	/nfs/dbraw/zinc/76/72/10/983767210.db2.gz	SYWKGJGMBBXEBI-LLVKDONJSA-N	-1	0	316.361	0.966	20	30		DCEDRM
C=CC(C)(C)CCNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588677249	983835100	/nfs/dbraw/zinc/83/51/00/983835100.db2.gz	ZEGPDLIKWCCTRD-MNOVXSKESA-N	-1	0	312.366	0.405	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC/C=C/CNc1ncc(C(=O)[O-])cn1	ZINC001588684031	983853824	/nfs/dbraw/zinc/85/38/24/983853824.db2.gz	JIHQQEIHKCHJHI-MBVDDHJVSA-N	-1	0	320.349	0.586	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001588693010	983888779	/nfs/dbraw/zinc/88/87/79/983888779.db2.gz	OZMUSWLEBCXLPO-SNVBAGLBSA-N	-1	0	322.317	0.406	20	30		DCEDRM
C=CC[C@@H](C)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588736919	984027898	/nfs/dbraw/zinc/02/78/98/984027898.db2.gz	ZPPLKBKTXWEEKK-SECBINFHSA-N	-1	0	308.338	0.722	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC001588745025	984047973	/nfs/dbraw/zinc/04/79/73/984047973.db2.gz	UATYPKZHIWLBQG-ZDUSSCGKSA-N	-1	0	320.345	0.696	20	30		DCEDRM
C=CC[C@@H](OC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-]	ZINC001588752148	984079679	/nfs/dbraw/zinc/07/96/79/984079679.db2.gz	UTNPFXAXSKGBKO-GXSJLCMTSA-N	-1	0	320.363	0.541	20	30		DCEDRM
C=CC[C@H](OC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)[O-]	ZINC001588753989	984090723	/nfs/dbraw/zinc/09/07/23/984090723.db2.gz	QVNPRPLREBOYDA-AXFHLTTASA-N	-1	0	309.318	0.734	20	30		DCEDRM
C=CC[C@@H](OC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)[O-]	ZINC001588754157	984092479	/nfs/dbraw/zinc/09/24/79/984092479.db2.gz	UQVJHYGZTOGQKM-GFCCVEGCSA-N	-1	0	304.302	0.913	20	30		DCEDRM
C=CC[C@@H](OC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(=O)[O-]	ZINC001588757337	984102624	/nfs/dbraw/zinc/10/26/24/984102624.db2.gz	YNANEDRFMLRWRR-UPJWGTAASA-N	-1	0	313.350	0.439	20	30		DCEDRM
C=CCCC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CCOCC1	ZINC001588773765	984149252	/nfs/dbraw/zinc/14/92/52/984149252.db2.gz	JCKNPVKAVBABEV-NWDGAFQWSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCCCC(=O)N1CC(CCO)(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588782172	984170527	/nfs/dbraw/zinc/17/05/27/984170527.db2.gz	RNGSQFNVVBIBSY-RYUDHWBXSA-N	-1	0	324.377	0.143	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OC	ZINC001588797291	984228619	/nfs/dbraw/zinc/22/86/19/984228619.db2.gz	BGTAZBDXFIWHDL-SNVBAGLBSA-N	-1	0	321.395	0.915	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)C[C@H](C)C(=O)OC)C(=O)[O-]	ZINC001588797704	984230655	/nfs/dbraw/zinc/23/06/55/984230655.db2.gz	JTJCVIUKDDOQBY-VHSXEESVSA-N	-1	0	307.368	0.524	20	30		DCEDRM
C=CCCOCC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001588810400	984266748	/nfs/dbraw/zinc/26/67/48/984266748.db2.gz	NODAZVDOCVDPOI-GFCCVEGCSA-N	-1	0	320.349	0.780	20	30		DCEDRM
C=CCCn1cc(CNS(=O)(=O)C2(C(=O)[O-])CCC2)nn1	ZINC001588820112	984282246	/nfs/dbraw/zinc/28/22/46/984282246.db2.gz	QTZYVYWJKJNAHN-UHFFFAOYSA-N	-1	0	314.367	0.281	20	30		DCEDRM
C=CCN(C(=O)c1ccc(C(=O)[O-])[nH]1)[C@@H]1CCS(=O)(=O)C1	ZINC001588820811	984287051	/nfs/dbraw/zinc/28/70/51/984287051.db2.gz	UBFYRJGZQXKXOF-SECBINFHSA-N	-1	0	312.347	0.528	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001588849609	984372548	/nfs/dbraw/zinc/37/25/48/984372548.db2.gz	CAEFPEURXAOFMJ-LBPRGKRZSA-N	-1	0	320.349	0.780	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cn2C)C1	ZINC001588849964	984376893	/nfs/dbraw/zinc/37/68/93/984376893.db2.gz	QXVWVMZHAJEKLJ-LLVKDONJSA-N	-1	0	314.363	0.689	20	30		DCEDRM
C=CCOCC(=O)N[C@@H](C)CN(C)c1ncc(C(=O)[O-])cn1	ZINC001588851117	984383076	/nfs/dbraw/zinc/38/30/76/984383076.db2.gz	VIRCOHBWSAWGTI-JTQLQIEISA-N	-1	0	308.338	0.318	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)/C=C/c1ccc(C(=O)OC)o1)C(=O)[O-]	ZINC001588854233	984389480	/nfs/dbraw/zinc/38/94/80/984389480.db2.gz	SGIPQWJJNURQED-OKPNEXGHSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)COc1ccc(C=O)cc1)C(=O)[O-]	ZINC001588854338	984389825	/nfs/dbraw/zinc/38/98/25/984389825.db2.gz	WUWQQIZAOZWPPQ-CYBMUJFWSA-N	-1	0	307.302	0.650	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C(F)(F)C1(O)CCCC1)C(=O)[O-]	ZINC001588856019	984396450	/nfs/dbraw/zinc/39/64/50/984396450.db2.gz	UJQHPWXQTPULMR-VIFPVBQESA-N	-1	0	307.293	0.699	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(=O)OC)oc1C)C(=O)[O-]	ZINC001588859133	984403581	/nfs/dbraw/zinc/40/35/81/984403581.db2.gz	AHAIQCNOUGXSEU-JTQLQIEISA-N	-1	0	311.290	0.760	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)C[C@@H]1CCC1(F)F)C(=O)[O-]	ZINC001588865854	984420589	/nfs/dbraw/zinc/42/05/89/984420589.db2.gz	DKEWYZYKBMSPAH-IUCAKERBSA-N	-1	0	313.322	0.607	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC001588879253	984457179	/nfs/dbraw/zinc/45/71/79/984457179.db2.gz	XUCZEQQFLHOFMY-ZJUUUORDSA-N	-1	0	300.380	0.343	20	30		DCEDRM
C=CCn1c(-c2ccccn2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588889739	984481250	/nfs/dbraw/zinc/48/12/50/984481250.db2.gz	BYEHRWVVTRDHSB-LBPRGKRZSA-N	-1	0	315.333	0.816	20	30		DCEDRM
C=CCn1c(-c2ncc[nH]2)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588891326	984487665	/nfs/dbraw/zinc/48/76/65/984487665.db2.gz	IWZPYDJWXPUBTE-CQSZACIVSA-N	-1	0	318.337	0.534	20	30		DCEDRM
C=CCn1c([C@@H](O)C(C)C)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588895814	984496833	/nfs/dbraw/zinc/49/68/33/984496833.db2.gz	MYKGTHNDVHYUDP-QWRGUYRKSA-N	-1	0	310.354	0.443	20	30		DCEDRM
C=CCn1c([C@H](O)COC)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588897183	984507887	/nfs/dbraw/zinc/50/78/87/984507887.db2.gz	XRPKIIRRWLKOPR-GMTAPVOTSA-N	-1	0	310.354	0.301	20	30		DCEDRM
C=CCn1c(N2CC[C@@](OC)(C(=O)[O-])C2)nnc1C(C)(C)C#N	ZINC001588904198	984527779	/nfs/dbraw/zinc/52/77/79/984527779.db2.gz	KTLPRVUMRNWPDV-HNNXBMFYSA-N	-1	0	319.365	0.945	20	30		DCEDRM
C=CCn1c(N2CC[C@@](C)(C(=O)[O-])C2)nnc1[C@@](C)(O)COC	ZINC001588904324	984528711	/nfs/dbraw/zinc/52/87/11/984528711.db2.gz	OKFAYSQTLZFRDA-CABCVRRESA-N	-1	0	324.381	0.619	20	30		DCEDRM
C=CCn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1C1(O)CCC1	ZINC001588905636	984537652	/nfs/dbraw/zinc/53/76/52/984537652.db2.gz	ZJRVATAKXXMACI-SNVBAGLBSA-N	-1	0	308.338	0.125	20	30		DCEDRM
C=CCn1c([C@@H](O)CC)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588909796	984545180	/nfs/dbraw/zinc/54/51/80/984545180.db2.gz	AODZXDKQOHJXCL-VWYCJHECSA-N	-1	0	310.354	0.586	20	30		DCEDRM
C=CCn1cc(C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])nn1	ZINC001588909988	984546459	/nfs/dbraw/zinc/54/64/59/984546459.db2.gz	FCTOLAFMAZWYAC-GFCCVEGCSA-N	-1	0	315.333	0.532	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588917839	984567594	/nfs/dbraw/zinc/56/75/94/984567594.db2.gz	CXNUFOGBVCSKPU-SCZZXKLOSA-N	-1	0	305.290	0.178	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588926042	984591068	/nfs/dbraw/zinc/59/10/68/984591068.db2.gz	GWKWXNMIDJIQFE-QWRGUYRKSA-N	-1	0	320.349	0.490	20	30		DCEDRM
C[C@H]1CN(C[C@@H](O)COc2ccccc2C#N)C[C@@H](C(=O)[O-])O1	ZINC001599927358	985224884	/nfs/dbraw/zinc/22/48/84/985224884.db2.gz	JBOBZERXZPGQRX-LNSITVRQSA-N	-1	0	320.345	0.472	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC001596869660	985690942	/nfs/dbraw/zinc/69/09/42/985690942.db2.gz	QQODLEZHLYIUMF-QWHCGFSZSA-N	-1	0	306.318	0.540	20	30		DCEDRM
Cc1c(C#N)c(=O)n(Cc2ccccc2CC(=O)[O-])c(=O)n1C	ZINC001599973978	986057993	/nfs/dbraw/zinc/05/79/93/986057993.db2.gz	HCIYOJKETBHLIJ-UHFFFAOYSA-N	-1	0	313.313	0.403	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@H]1CN(C)c1ccnc(C(=O)[O-])n1	ZINC001589328582	986157631	/nfs/dbraw/zinc/15/76/31/986157631.db2.gz	CTPMVEIPZCNTHB-QWRGUYRKSA-N	-1	0	317.349	0.762	20	30		DCEDRM
C[C@H](C#N)C(=O)NC1CCC(Nc2ccnc(C(=O)[O-])n2)CC1	ZINC001589328630	986158664	/nfs/dbraw/zinc/15/86/64/986158664.db2.gz	FGCPFQOMBBHSQI-KPPDAEKUSA-N	-1	0	317.349	0.596	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001589330100	986170207	/nfs/dbraw/zinc/17/02/07/986170207.db2.gz	YFZQEHNDWLDVAA-WDEREUQCSA-N	-1	0	317.349	0.667	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccoc1C(=O)[O-]	ZINC001589330466	986173462	/nfs/dbraw/zinc/17/34/62/986173462.db2.gz	GJINNLBYKZZDBS-MRVPVSSYSA-N	-1	0	301.324	0.404	20	30		DCEDRM
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1(C(=O)[O-])CC1	ZINC001589335055	986207740	/nfs/dbraw/zinc/20/77/40/986207740.db2.gz	MJXZLIBCTXBLDR-VIFPVBQESA-N	-1	0	317.301	0.649	20	30		DCEDRM
C[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)[C@@H](C)S(C)(=O)=O	ZINC001589345692	986280451	/nfs/dbraw/zinc/28/04/51/986280451.db2.gz	FQFLZJBLCPPYTE-VHSXEESVSA-N	-1	0	316.379	0.273	20	30		DCEDRM
C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001589346452	986287883	/nfs/dbraw/zinc/28/78/83/986287883.db2.gz	QRQVBWNJOLVWFK-FYLLDIAZSA-N	-1	0	303.322	0.422	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](CNC(=O)[C@H](C)C#N)C2CC2)c1[O-]	ZINC001385776765	986587593	/nfs/dbraw/zinc/58/75/93/986587593.db2.gz	FNTRAPFZLNFFAN-GMSGAONNSA-N	-1	0	305.338	0.208	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001589558655	987311166	/nfs/dbraw/zinc/31/11/66/987311166.db2.gz	SGNDZGVCZRPSOO-SNVBAGLBSA-N	-1	0	304.368	0.023	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001589684072	987720197	/nfs/dbraw/zinc/72/01/97/987720197.db2.gz	ABCSALBTBAFTSI-CYDGBPFRSA-N	-1	0	320.389	0.768	20	30		DCEDRM
C[C@@H](O)[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001599844192	988904651	/nfs/dbraw/zinc/90/46/51/988904651.db2.gz	QZRNRCXOKZOTHG-IPURGOFSSA-N	-1	0	314.338	0.198	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2cc(C)c(C(=O)[O-])o2)c1=O	ZINC001597870392	989674312	/nfs/dbraw/zinc/67/43/12/989674312.db2.gz	ILZFPOUGDZHKKN-UHFFFAOYSA-N	-1	0	303.274	0.550	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2cc(C(=O)[O-])c(C)o2)c1=O	ZINC001597871070	989679227	/nfs/dbraw/zinc/67/92/27/989679227.db2.gz	YQIBVXRHDBJBQY-UHFFFAOYSA-N	-1	0	303.274	0.550	20	30		DCEDRM
C=CCCCC(=O)NCC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001527747229	1015537173	/nfs/dbraw/zinc/53/71/73/1015537173.db2.gz	RYTNNGWPOLFJNY-SECBINFHSA-N	-1	0	323.353	0.264	20	30		DCEDRM
CN(C(=O)CNC(=O)c1ccc(C#N)cc1)C(C)(C)CC(=O)[O-]	ZINC001598025759	990236516	/nfs/dbraw/zinc/23/65/16/990236516.db2.gz	VWEQGGHVNJSNOX-UHFFFAOYSA-N	-1	0	317.345	1.000	20	30		DCEDRM
CC(C)(NCC(=O)NC1(C#N)CCC1)c1cc(C(=O)[O-])on1	ZINC001590866994	990764916	/nfs/dbraw/zinc/76/49/16/990764916.db2.gz	ZICQBVCTBHVPSD-UHFFFAOYSA-N	-1	0	306.322	0.760	20	30		DCEDRM
CC(C)C#CC(=O)N(C)C[C@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001590927035	990930075	/nfs/dbraw/zinc/93/00/75/990930075.db2.gz	PGVXRSSSYWDNPO-NSHDSACASA-N	-1	0	304.350	0.515	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H](C)CCNc1ccnc(C(=O)[O-])n1	ZINC001590927113	990930673	/nfs/dbraw/zinc/93/06/73/990930673.db2.gz	RZFQUHITEHHSGH-NSHDSACASA-N	-1	0	304.350	0.563	20	30		DCEDRM
CC(C)C#CC(=O)N1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C[C@@H]1C	ZINC001590927125	990931025	/nfs/dbraw/zinc/93/10/25/990931025.db2.gz	SEGQQERUNAKIFD-RYUDHWBXSA-N	-1	0	316.361	0.657	20	30		DCEDRM
CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCC(=O)NCC#N	ZINC001598298037	991229235	/nfs/dbraw/zinc/22/92/35/991229235.db2.gz	FNRRRCDYJKDUFN-UHFFFAOYSA-N	-1	0	319.321	0.212	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC001598468462	991987201	/nfs/dbraw/zinc/98/72/01/991987201.db2.gz	CYQSVVDJIMGFOY-GFCCVEGCSA-N	-1	0	317.411	0.947	20	30		DCEDRM
CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)C#CC1CC1	ZINC001598482517	992175936	/nfs/dbraw/zinc/17/59/36/992175936.db2.gz	DNACVCWSKJLNOF-UHFFFAOYSA-N	-1	0	302.334	0.271	20	30		DCEDRM
C[C@H](NC(=O)c1ccccc1)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001593176111	994052463	/nfs/dbraw/zinc/05/24/63/994052463.db2.gz	LAVXUSBAQOVESK-NSHDSACASA-N	-1	0	303.318	0.632	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC001598695102	995124293	/nfs/dbraw/zinc/12/42/93/995124293.db2.gz	QWZJYWXNCSZQGB-JOYOIKCWSA-N	-1	0	320.301	0.458	20	30		DCEDRM
C[C@@](O)(CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1CC1	ZINC001593417141	995203179	/nfs/dbraw/zinc/20/31/79/995203179.db2.gz	MKGLCMDLNKMCSK-CQSZACIVSA-N	-1	0	324.358	0.696	20	30		DCEDRM
COC(=O)[C@]1(OC)CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC001598726486	995524179	/nfs/dbraw/zinc/52/41/79/995524179.db2.gz	VTFNPDNBGGGRMB-CJNGLKHVSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C[C@H](OC(=O)c1ccc(C(=O)[O-])[nH]1)C(=O)NC1(C#N)CCC1	ZINC001593572578	995666814	/nfs/dbraw/zinc/66/68/14/995666814.db2.gz	FBGLAEULZWOWEA-QMMMGPOBSA-N	-1	0	305.290	0.821	20	30		DCEDRM
CCCc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n[nH]1	ZINC001465252582	1015990822	/nfs/dbraw/zinc/99/08/22/1015990822.db2.gz	HSCQMUUGSWZJCZ-UHFFFAOYSA-N	-1	0	302.294	0.135	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(Cc2nc(C#N)cs2)C1	ZINC001598781509	995989299	/nfs/dbraw/zinc/98/92/99/995989299.db2.gz	XDJLMQYZYUYCFF-WCBMZHEXSA-N	-1	0	309.347	0.853	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)c2c[n-]n3c2nccc3=O)c1	ZINC001465428200	1016001523	/nfs/dbraw/zinc/00/15/23/1016001523.db2.gz	MZZSFJDWXGAOOG-UHFFFAOYSA-N	-1	0	311.276	0.963	20	30		DCEDRM
COC(C)(C)C[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001465477026	1016002978	/nfs/dbraw/zinc/00/29/78/1016002978.db2.gz	UOXPZLLLLYGAFM-SECBINFHSA-N	-1	0	308.338	0.140	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1	ZINC001593739292	996352417	/nfs/dbraw/zinc/35/24/17/996352417.db2.gz	FSZVSWJWMGNBHD-BLLLJJGKSA-N	-1	0	321.377	0.756	20	30		DCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)CCO1	ZINC001593743589	996369867	/nfs/dbraw/zinc/36/98/67/996369867.db2.gz	VGQQDHFZDBOTMW-GFCCVEGCSA-N	-1	0	311.319	0.083	20	30		DCEDRM
CC1(C)C[C@]1(C#N)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC001593863063	996661629	/nfs/dbraw/zinc/66/16/29/996661629.db2.gz	BMZNHUINILSEAA-SNVBAGLBSA-N	-1	0	301.349	0.812	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cc1	ZINC001599320571	997573113	/nfs/dbraw/zinc/57/31/13/997573113.db2.gz	KDZOGPKSROYJKC-ZWNOBZJWSA-N	-1	0	306.318	0.981	20	30		DCEDRM
COCCCNC(=O)[C@H](C#N)C(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001599225317	997748060	/nfs/dbraw/zinc/74/80/60/997748060.db2.gz	FBVVYFJALFHQCA-CYBMUJFWSA-N	-1	0	318.329	0.789	20	30		DCEDRM
CO[C@H]1CCN(S(=O)(=O)CC(C)(C)C#N)[C@H](C(=O)[O-])C1	ZINC001599123220	997780906	/nfs/dbraw/zinc/78/09/06/997780906.db2.gz	JBHHIJUUDSWRLH-UWVGGRQHSA-N	-1	0	304.368	0.430	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC001599233751	997908668	/nfs/dbraw/zinc/90/86/68/997908668.db2.gz	YLYGODQBEBMDDR-UHFFFAOYSA-N	-1	0	316.335	0.755	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC001599235119	997931605	/nfs/dbraw/zinc/93/16/05/997931605.db2.gz	PZFQKCJVTUIWRI-UHFFFAOYSA-N	-1	0	316.310	0.419	20	30		DCEDRM
COc1cc(C#N)ccc1OCCN1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001599350117	998079047	/nfs/dbraw/zinc/07/90/47/998079047.db2.gz	DGZLOTPXKKIAFQ-IUODEOHRSA-N	-1	0	320.345	0.856	20	30		DCEDRM
COCC#CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])CC2	ZINC001599138842	998092376	/nfs/dbraw/zinc/09/23/76/998092376.db2.gz	QFUGPTPYJRYCNV-KBPBESRZSA-N	-1	0	320.389	0.281	20	30		DCEDRM
COc1ccc(CNC(=O)CN(CC#N)CCC(=O)[O-])cc1	ZINC001599565230	998273986	/nfs/dbraw/zinc/27/39/86/998273986.db2.gz	JIMYTIPKTVHVRH-UHFFFAOYSA-N	-1	0	305.334	0.612	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCCNc1ncccc1C#N	ZINC001594149726	998517384	/nfs/dbraw/zinc/51/73/84/998517384.db2.gz	NBDDTNCVPUAJSQ-ZYHUDNBSSA-N	-1	0	317.349	0.870	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCCNc1ncccc1C#N	ZINC001594149724	998517745	/nfs/dbraw/zinc/51/77/45/998517745.db2.gz	NBDDTNCVPUAJSQ-JQWIXIFHSA-N	-1	0	317.349	0.870	20	30		DCEDRM
COC(=O)c1sccc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001599023423	998998669	/nfs/dbraw/zinc/99/86/69/998998669.db2.gz	AZQRIPNJKQAMOA-UHFFFAOYSA-N	-1	0	318.332	0.134	20	30		DCEDRM
CC1(CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001469146588	1016313316	/nfs/dbraw/zinc/31/33/16/1016313316.db2.gz	RSZJPHKJRVDOIS-UHFFFAOYSA-N	-1	0	305.338	0.310	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1C#N	ZINC001418561514	1000347159	/nfs/dbraw/zinc/34/71/59/1000347159.db2.gz	NOODNTIOLKGEJH-UWVGGRQHSA-N	-1	0	323.374	0.054	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CCc2cccs2)c(=O)[n-]c1=O	ZINC001470359470	1016424262	/nfs/dbraw/zinc/42/42/62/1016424262.db2.gz	AAGWZVHLHNLESU-UHFFFAOYSA-N	-1	0	318.358	0.631	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC[C@H]1CCCS1(=O)=O	ZINC001419082953	1000752662	/nfs/dbraw/zinc/75/26/62/1000752662.db2.gz	NLOZEZAUMIOKCR-LLVKDONJSA-N	-1	0	323.374	0.664	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@H](O)c2c[nH]cn2)cc1C#N	ZINC001419578738	1001153743	/nfs/dbraw/zinc/15/37/43/1001153743.db2.gz	FRJSJOATWYVTMJ-JTQLQIEISA-N	-1	0	319.346	0.567	20	30		DCEDRM
Cc1ccc([C@@H](O)[C@H](C)Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001421164543	1003396501	/nfs/dbraw/zinc/39/65/01/1003396501.db2.gz	BNJWPNGORKZWSQ-GWCFXTLKSA-N	-1	0	314.345	0.788	20	30		DCEDRM
C[C@@H](C1CC1)n1cc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cn1	ZINC001472764978	1016851289	/nfs/dbraw/zinc/85/12/89/1016851289.db2.gz	YQMCBBNXWNPPBQ-QMMMGPOBSA-N	-1	0	300.322	0.856	20	30		DCEDRM
C[C@@H]1C[C@]2(CC[C@@H](CNc3[n-]c(=O)n(C)c(=O)c3C#N)O2)CO1	ZINC001472879803	1016865273	/nfs/dbraw/zinc/86/52/73/1016865273.db2.gz	JXDBQQWSDVDJLY-HFBDOXOYSA-N	-1	0	320.349	0.084	20	30		DCEDRM
CCn1[n-]nnc1=NC(=O)NCc1cccc(OCC#N)c1	ZINC001414446246	1005327516	/nfs/dbraw/zinc/32/75/16/1005327516.db2.gz	DRQJCWVYNLHZHC-UHFFFAOYSA-N	-1	0	301.310	0.339	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](NC(=O)[C@H](C)C#N)C(C)C)c1[O-]	ZINC001416580746	1005714382	/nfs/dbraw/zinc/71/43/82/1005714382.db2.gz	QIKSTXTUKKNLSS-SCZZXKLOSA-N	-1	0	307.354	0.454	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](O)COCC(C)C	ZINC001417670441	1005864490	/nfs/dbraw/zinc/86/44/90/1005864490.db2.gz	WEYDPKGDNQWYJI-LBPRGKRZSA-N	-1	0	307.350	0.731	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](N2CCCC2=O)C1	ZINC001417712298	1005873846	/nfs/dbraw/zinc/87/38/46/1005873846.db2.gz	DAECYKIBVHKNKE-LBPRGKRZSA-N	-1	0	314.345	0.804	20	30		DCEDRM
CS[C@H]1CCC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001433705603	1009100660	/nfs/dbraw/zinc/10/06/60/1009100660.db2.gz	VWWHSGIXRZFQBL-QWRGUYRKSA-N	-1	0	322.390	0.611	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H](CC(N)=O)C1	ZINC001433770587	1009163619	/nfs/dbraw/zinc/16/36/19/1009163619.db2.gz	BHUCQAMTCGXYHT-SNVBAGLBSA-N	-1	0	302.334	0.695	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1	ZINC001433850388	1009256395	/nfs/dbraw/zinc/25/63/95/1009256395.db2.gz	HTZQEIYXYQTKFT-SNVBAGLBSA-N	-1	0	314.345	0.708	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc3c(n2)CCC3)c(=O)[n-]c1=O	ZINC001433995632	1009443007	/nfs/dbraw/zinc/44/30/07/1009443007.db2.gz	XRXZFIPXZRNFRM-UHFFFAOYSA-N	-1	0	311.301	0.343	20	30		DCEDRM
CC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCCCC1	ZINC001434044439	1009486331	/nfs/dbraw/zinc/48/63/31/1009486331.db2.gz	INPGXFUPXIRCNJ-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
C[C@@]1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1(F)F	ZINC001434186886	1009645572	/nfs/dbraw/zinc/64/55/72/1009645572.db2.gz	BYQCNGWXJJZOIP-LBPRGKRZSA-N	-1	0	312.276	0.372	20	30		DCEDRM
CSCC[C@H](NC(=O)c1ncc(C#N)cc1C)c1nnn[n-]1	ZINC001434198366	1009651613	/nfs/dbraw/zinc/65/16/13/1009651613.db2.gz	BHSIFGVPXCMDQV-JTQLQIEISA-N	-1	0	317.378	0.999	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C[C@@H]2C[C@H]2C2CC2)c(=O)[n-]c1=O	ZINC001434207929	1009662970	/nfs/dbraw/zinc/66/29/70/1009662970.db2.gz	PUIGXTRRKWEJHZ-JQWIXIFHSA-N	-1	0	302.334	0.373	20	30		DCEDRM
CN(Cc1cc(=O)n2[n-]cc(C#N)c2n1)[C@@H]1CCCCNC1=O	ZINC001434459032	1009976195	/nfs/dbraw/zinc/97/61/95/1009976195.db2.gz	GOPUGXNZZLYYKL-GFCCVEGCSA-N	-1	0	314.349	0.407	20	30		DCEDRM
COC(=O)CN(CC#N)C(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001444542339	1011056066	/nfs/dbraw/zinc/05/60/66/1011056066.db2.gz	HSNFIWBEZYHPOB-UHFFFAOYSA-N	-1	0	316.273	0.169	20	30		DCEDRM
Cc1csc(NCCNc2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001458418387	1012174866	/nfs/dbraw/zinc/17/48/66/1012174866.db2.gz	FIGKWXNUJZGQHU-UHFFFAOYSA-N	-1	0	306.351	0.234	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccc(S(N)(=O)=O)cc1	ZINC001557325330	1012272503	/nfs/dbraw/zinc/27/25/03/1012272503.db2.gz	BKQFKAWCOMMOFQ-SECBINFHSA-N	-1	0	300.336	0.335	20	30		DCEDRM
N#CCCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC001557980919	1012310562	/nfs/dbraw/zinc/31/05/62/1012310562.db2.gz	KYCLAVMJGUXCKS-UHFFFAOYSA-N	-1	0	304.306	0.972	20	30		DCEDRM
COC(=O)c1cnc(C([O-])=C(C#N)C(=O)c2nccn2C)cn1	ZINC001516747742	1017156182	/nfs/dbraw/zinc/15/61/82/1017156182.db2.gz	AVCOILPYKMYVEE-QMMMGPOBSA-N	-1	0	313.273	0.202	20	30		DCEDRM
C#CCOCCCOC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC001517153755	1017164869	/nfs/dbraw/zinc/16/48/69/1017164869.db2.gz	BVKZRARMTIMESO-UHFFFAOYSA-N	-1	0	312.347	0.650	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)N[C@H]3CC34CCC4)C2)c(=O)[n-]c1=O	ZINC001479225000	1017432844	/nfs/dbraw/zinc/43/28/44/1017432844.db2.gz	SKPRKUBVFGVMRS-NSHDSACASA-N	-1	0	315.333	0.329	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001494682950	1017943997	/nfs/dbraw/zinc/94/39/97/1017943997.db2.gz	ZQGXPHOFOFFDRU-KOLCDFICSA-N	-1	0	324.381	0.639	20	30		DCEDRM
C=CCOCCCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001479901551	1017950687	/nfs/dbraw/zinc/95/06/87/1017950687.db2.gz	LQEYABLRUAILHQ-GFCCVEGCSA-N	-1	0	323.397	0.574	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@](C)(NC(=O)[C@@H](C)C#N)C2CC2)c1[O-]	ZINC001499694839	1018040306	/nfs/dbraw/zinc/04/03/06/1018040306.db2.gz	NFBYAIUUJXLWCG-VXJOIVPMSA-N	-1	0	319.365	0.598	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](CNC(=O)C#CC3CC3)C2)c1[O-]	ZINC001495168578	1018370726	/nfs/dbraw/zinc/37/07/26/1018370726.db2.gz	YNBQFNSGAHAXPI-GFCCVEGCSA-N	-1	0	316.361	0.415	20	30		DCEDRM
CS(=O)(=O)Cc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC001607370351	1170439396	/nfs/dbraw/zinc/43/93/96/1170439396.db2.gz	SPZUXPYOECDNGT-UHFFFAOYSA-N	-1	0	310.331	0.282	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCN(CCO)CC2)cc1C#N	ZINC001645660118	1172091103	/nfs/dbraw/zinc/09/11/03/1172091103.db2.gz	CXHVIACZUMSOAF-UHFFFAOYSA-N	-1	0	322.390	0.131	20	30		DCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)NCC(=O)N1CCCC1	ZINC000156312851	291224547	/nfs/dbraw/zinc/22/45/47/291224547.db2.gz	UGNTUNRKMLDXER-UHFFFAOYSA-N	-1	0	311.338	0.598	20	30		DCEDRM
N#CC1(CS(=O)(=O)N(CCC(=O)[O-])Cc2ccccn2)CC1	ZINC000275106954	238305067	/nfs/dbraw/zinc/30/50/67/238305067.db2.gz	JRWMHNSVPYQVET-UHFFFAOYSA-N	-1	0	323.374	0.992	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000420536025	240042812	/nfs/dbraw/zinc/04/28/12/240042812.db2.gz	VVOOFSSHYDFOFW-LBPRGKRZSA-N	-1	0	302.330	0.333	20	30		DCEDRM
N#Cc1ccncc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-]	ZINC000486945724	241077724	/nfs/dbraw/zinc/07/77/24/241077724.db2.gz	QVYPYYMRUDWBHH-UHFFFAOYSA-N	-1	0	318.314	0.559	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)OCC)C1	ZINC000496330087	241244059	/nfs/dbraw/zinc/24/40/59/241244059.db2.gz	UEPZBAAAOYPMJL-NSHDSACASA-N	-1	0	316.379	0.324	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275074562	212106025	/nfs/dbraw/zinc/10/60/25/212106025.db2.gz	XKRRNIOVXXLPGJ-SECBINFHSA-N	-1	0	312.303	0.740	20	30		DCEDRM
C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000274885320	212008681	/nfs/dbraw/zinc/00/86/81/212008681.db2.gz	DRVPKLDSXCURND-WKEGUHRASA-N	-1	0	318.738	0.324	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1	ZINC000342793099	253541314	/nfs/dbraw/zinc/54/13/14/253541314.db2.gz	RCPYIWIGUQBLII-UHFFFAOYSA-N	-1	0	305.319	0.041	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2C[C@@H](CO)OC[C@@H]2C)cc1C#N	ZINC000344214270	253756979	/nfs/dbraw/zinc/75/69/79/253756979.db2.gz	LGRMLLOIODYJQO-WPRPVWTQSA-N	-1	0	323.374	0.603	20	30		DCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000049607024	395833147	/nfs/dbraw/zinc/83/31/47/395833147.db2.gz	GUJAPUKDPXHEOT-UHFFFAOYSA-N	-1	0	312.347	0.421	20	30		DCEDRM
C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126026321	395909105	/nfs/dbraw/zinc/90/91/05/395909105.db2.gz	MYEFEHQFHLZJMJ-LDWIPMOCSA-N	-1	0	318.738	0.324	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1C#N	ZINC000273367516	395915978	/nfs/dbraw/zinc/91/59/78/395915978.db2.gz	GEMQFUXGDWQDIQ-VIFPVBQESA-N	-1	0	322.350	0.549	20	30		DCEDRM
N#Cc1ccc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)cc1	ZINC000052506837	395864279	/nfs/dbraw/zinc/86/42/79/395864279.db2.gz	AOUACWQBTQLTOV-UHFFFAOYSA-N	-1	0	321.296	0.825	20	30		DCEDRM
COCC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C)C(=O)[O-]	ZINC000230095292	395877853	/nfs/dbraw/zinc/87/78/53/395877853.db2.gz	QCTQIMPCKCAWQR-LLVKDONJSA-N	-1	0	312.347	0.635	20	30		DCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)N1CCCC1	ZINC000078238229	396240795	/nfs/dbraw/zinc/24/07/95/396240795.db2.gz	ZYTAPAPPVGWAPI-UHFFFAOYSA-N	-1	0	307.375	0.802	20	30		DCEDRM
N#CCc1ccc(CS(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000594682804	396496829	/nfs/dbraw/zinc/49/68/29/396496829.db2.gz	GGZNEQHEZSRXFK-ZDUSSCGKSA-N	-1	0	324.358	0.368	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1	ZINC000514792160	396497733	/nfs/dbraw/zinc/49/77/33/396497733.db2.gz	GNWAOSSEMZABKZ-MNOVXSKESA-N	-1	0	303.384	0.509	20	30		DCEDRM
CCOC[C@H](NS(=O)(=O)c1cccc(C)c1C#N)C(=O)[O-]	ZINC000290687606	396470079	/nfs/dbraw/zinc/47/00/79/396470079.db2.gz	QRHUJLZRRMDCCD-NSHDSACASA-N	-1	0	312.347	0.635	20	30		DCEDRM
C[C@@H]1CCC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cncc(C#N)c1	ZINC000290729041	396471008	/nfs/dbraw/zinc/47/10/08/396471008.db2.gz	VVPHZUTXPHJFRL-SKDRFNHKSA-N	-1	0	309.347	0.970	20	30		DCEDRM
COC(=O)CCCO[N-]C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000290736720	396471285	/nfs/dbraw/zinc/47/12/85/396471285.db2.gz	SVCNYPSHBITQEK-UHFFFAOYSA-N	-1	0	319.317	0.289	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000594531026	396485055	/nfs/dbraw/zinc/48/50/55/396485055.db2.gz	PIZBFAHLSBGBQU-GFCCVEGCSA-N	-1	0	303.318	0.970	20	30		DCEDRM
C=C(C)COCCNS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000581486658	396558229	/nfs/dbraw/zinc/55/82/29/396558229.db2.gz	WQEMMFNUKJFSCH-UHFFFAOYSA-N	-1	0	306.365	0.712	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000595548322	396628601	/nfs/dbraw/zinc/62/86/01/396628601.db2.gz	WCVNEXFKUUTWNM-SECBINFHSA-N	-1	0	319.346	0.946	20	30		DCEDRM
N#Cc1ccc(N2CC[C@@H](C(=O)NCc3nnn[n-]3)C2)c(F)c1	ZINC000587405760	396671057	/nfs/dbraw/zinc/67/10/57/396671057.db2.gz	YFHQWERVUHJWQL-SNVBAGLBSA-N	-1	0	315.312	0.353	20	30		DCEDRM
CC(C)CO[C@H](C)c1noc(Cn2c(=O)[n-]cc(C#N)c2=O)n1	ZINC000563128015	396705405	/nfs/dbraw/zinc/70/54/05/396705405.db2.gz	ZTZCITIRCMADEM-SECBINFHSA-N	-1	0	319.321	0.573	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)n1	ZINC000595998903	396706101	/nfs/dbraw/zinc/70/61/01/396706101.db2.gz	ZRHSEWIFGIYXLW-LBPRGKRZSA-N	-1	0	311.301	0.360	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000596826074	396840615	/nfs/dbraw/zinc/84/06/15/396840615.db2.gz	JHHULIWGGHLGRX-VIFPVBQESA-N	-1	0	311.363	0.661	20	30		DCEDRM
Cn1cc(C#N)c(=NC(=O)N=c2ccn(Cc3ccncc3)[nH]2)[n-]1	ZINC000617995360	396889506	/nfs/dbraw/zinc/88/95/06/396889506.db2.gz	XAVZGLHHRLVGAZ-UHFFFAOYSA-N	-1	0	322.332	0.419	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000634652903	396894186	/nfs/dbraw/zinc/89/41/86/396894186.db2.gz	BRTZDLDVEFNGDF-JTQLQIEISA-N	-1	0	303.311	0.760	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c1	ZINC000600659329	396908627	/nfs/dbraw/zinc/90/86/27/396908627.db2.gz	OLDMLKKGXOWKIG-VIFPVBQESA-N	-1	0	317.273	0.436	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)COc2ccc(C#N)cc2)C1	ZINC000600870868	396959160	/nfs/dbraw/zinc/95/91/60/396959160.db2.gz	XQYCKIIGXLZCIH-HNNXBMFYSA-N	-1	0	304.302	0.639	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC000597495603	396991306	/nfs/dbraw/zinc/99/13/06/396991306.db2.gz	BWEHLPPMQDFMLR-AWEZNQCLSA-N	-1	0	323.374	0.805	20	30		DCEDRM
C[C@H](C#N)N(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CC1	ZINC000598137927	397177712	/nfs/dbraw/zinc/17/77/12/397177712.db2.gz	SPCKVTLZBOKPAY-MRVPVSSYSA-N	-1	0	309.347	0.556	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N(C)Cc2n[n-]c(=O)o2)c1	ZINC000598746740	397288216	/nfs/dbraw/zinc/28/82/16/397288216.db2.gz	UOECVRXAUVELDM-UHFFFAOYSA-N	-1	0	301.306	0.985	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCC[C@H]2C2CC2)c(=O)[n-]c1=O	ZINC000602090428	397298698	/nfs/dbraw/zinc/29/86/98/397298698.db2.gz	AFZYZGKLSDUDQI-LBPRGKRZSA-N	-1	0	302.334	0.612	20	30		DCEDRM
CN(CCc1cccs1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602108039	397303614	/nfs/dbraw/zinc/30/36/14/397303614.db2.gz	RMDAZEHRAFDIFA-UHFFFAOYSA-N	-1	0	318.358	0.583	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC[C@H]3CCC[C@@H]32)c(=O)[n-]c1=O	ZINC000602111909	397305968	/nfs/dbraw/zinc/30/59/68/397305968.db2.gz	WIIFHFUOYIREST-PWSUYJOCSA-N	-1	0	302.334	0.612	20	30		DCEDRM
N#Cc1cncc(N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)n1	ZINC000593328115	397352687	/nfs/dbraw/zinc/35/26/87/397352687.db2.gz	QMMPWJTXKIOASE-JTQLQIEISA-N	-1	0	315.333	0.250	20	30		DCEDRM
CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602158054	397327075	/nfs/dbraw/zinc/32/70/75/397327075.db2.gz	ANHAIDOMYCGEPL-TZMCWYRMSA-N	-1	0	318.377	0.960	20	30		DCEDRM
N#CCCCNC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC000593698515	397429230	/nfs/dbraw/zinc/42/92/30/397429230.db2.gz	PNJRUZLXYOMEMU-LLVKDONJSA-N	-1	0	322.365	0.397	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000578197414	397403811	/nfs/dbraw/zinc/40/38/11/397403811.db2.gz	JYDIPGPJCJIOFB-BDAKNGLRSA-N	-1	0	307.397	0.172	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	ZINC000578968261	397506592	/nfs/dbraw/zinc/50/65/92/397506592.db2.gz	VVNPABSDDDWXHQ-CYBMUJFWSA-N	-1	0	317.407	0.979	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)NCC2(CC#N)CC2)CC[C@@H]1C(=O)[O-]	ZINC000599940791	397547273	/nfs/dbraw/zinc/54/72/73/397547273.db2.gz	QZXVANACDDJIDS-QWRGUYRKSA-N	-1	0	307.350	0.366	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC[C@@H]1C(=O)[O-]	ZINC000599946717	397549452	/nfs/dbraw/zinc/54/94/52/397549452.db2.gz	CAMHLNPUDVAILE-YFKTTZPYSA-N	-1	0	307.350	0.364	20	30		DCEDRM
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1COCCC1=NNCC(=O)[O-]	ZINC000495722568	397553555	/nfs/dbraw/zinc/55/35/55/397553555.db2.gz	VOEVPZYVSYRFFH-NXEZZACHSA-N	-1	0	315.370	0.966	20	30		DCEDRM
N#Cc1ccc(Cl)c(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1	ZINC000367525235	159342349	/nfs/dbraw/zinc/34/23/49/159342349.db2.gz	RXYXYLSWOLYZEO-NSHDSACASA-N	-1	0	318.724	0.938	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000408253537	160070052	/nfs/dbraw/zinc/07/00/52/160070052.db2.gz	HWPLWBDQWVKGFR-SNVBAGLBSA-N	-1	0	312.347	0.946	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCSC3(CCC3)CC2)c(C#N)c1=O	ZINC001647629676	1173005647	/nfs/dbraw/zinc/00/56/47/1173005647.db2.gz	XNOHOZQZBBTHCT-UHFFFAOYSA-N	-1	0	306.391	0.811	20	30		DCEDRM
N#CCCn1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)n1	ZINC000333101423	415557087	/nfs/dbraw/zinc/55/70/87/415557087.db2.gz	VHIKFIQSGIZHSM-UHFFFAOYSA-N	-1	0	306.351	0.740	20	30		DCEDRM
C=CC1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1	ZINC000110969078	415686893	/nfs/dbraw/zinc/68/68/93/415686893.db2.gz	XQEYQCUVEGOBQM-UHFFFAOYSA-N	-1	0	300.318	0.650	20	30		DCEDRM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cnc(Cl)cc1C#N	ZINC000290514238	415815666	/nfs/dbraw/zinc/81/56/66/415815666.db2.gz	AXUPIWITQPZLDI-ZETCQYMHSA-N	-1	0	316.770	0.825	20	30		DCEDRM
C=C[C@H](CO)[N-]S(=O)(=O)[C@H](CC(=O)OCC)C(F)(F)F	ZINC000296942847	415943870	/nfs/dbraw/zinc/94/38/70/415943870.db2.gz	GTNTUFCXZBQEFS-HTQZYQBOSA-N	-1	0	319.301	0.337	20	30		DCEDRM
N#Cc1cnc(N2CCC[C@H](c3n[n-]c(=O)o3)C2)c([N+](=O)[O-])c1	ZINC000296716938	415936351	/nfs/dbraw/zinc/93/63/51/415936351.db2.gz	GYGIGJQILIJWMC-VIFPVBQESA-N	-1	0	316.277	0.922	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncn(C)c1C(N)=O	ZINC000344931677	416011239	/nfs/dbraw/zinc/01/12/39/416011239.db2.gz	LGBKIJSLWRTHHD-UHFFFAOYSA-N	-1	0	319.346	0.500	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000338396851	416091632	/nfs/dbraw/zinc/09/16/32/416091632.db2.gz	YJCVHGUPZFNSAQ-UHFFFAOYSA-N	-1	0	305.319	0.641	20	30		DCEDRM
C=CCNc1ncc(C(=O)N=c2nc(COC)[n-]s2)s1	ZINC000346100161	416189117	/nfs/dbraw/zinc/18/91/17/416189117.db2.gz	XWIURSJTZLGLNC-UHFFFAOYSA-N	-1	0	311.392	1.413	20	30		DCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cn1	ZINC000358526055	416250962	/nfs/dbraw/zinc/25/09/62/416250962.db2.gz	KVXCFBIPIXIURL-UHFFFAOYSA-N	-1	0	307.291	0.264	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1	ZINC000330759667	416236199	/nfs/dbraw/zinc/23/61/99/416236199.db2.gz	KTJLSMJAIXKLMK-SNVBAGLBSA-N	-1	0	324.410	0.295	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000342185673	416290962	/nfs/dbraw/zinc/29/09/62/416290962.db2.gz	SWBJNVIFYCMGCP-MRVPVSSYSA-N	-1	0	304.306	0.350	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000262284011	416336348	/nfs/dbraw/zinc/33/63/48/416336348.db2.gz	XERGTKDRQZNUTO-GHMZBOCLSA-N	-1	0	300.355	0.405	20	30		DCEDRM
C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)N(C)C	ZINC000360030293	416368467	/nfs/dbraw/zinc/36/84/67/416368467.db2.gz	VNYWREHMEJKFOG-SSDOTTSWSA-N	-1	0	317.317	0.591	20	30		DCEDRM
Cc1ccc(N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)nc1C#N	ZINC000416449842	416369981	/nfs/dbraw/zinc/36/99/81/416369981.db2.gz	WMKYOAFSSDSGJT-BXUZGUMPSA-N	-1	0	316.361	1.384	20	30		DCEDRM
Cc1nc(N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)ccc1C#N	ZINC000416441575	416370135	/nfs/dbraw/zinc/37/01/35/416370135.db2.gz	FEBRMKGMUMKSNQ-OCCSQVGLSA-N	-1	0	316.361	1.384	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000422699217	416447273	/nfs/dbraw/zinc/44/72/73/416447273.db2.gz	COBNSLARMWGHMA-RYUDHWBXSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C#C[C@H](CCC)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000491632441	416607939	/nfs/dbraw/zinc/60/79/39/416607939.db2.gz	OUWCLXGCNKSAPR-MRVPVSSYSA-N	-1	0	322.346	0.516	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000491660140	416610781	/nfs/dbraw/zinc/61/07/81/416610781.db2.gz	NPAQBACEBUUBGO-OLZOCXBDSA-N	-1	0	304.346	0.041	20	30		DCEDRM
N#CCCn1ccc(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)n1	ZINC000596058396	416576728	/nfs/dbraw/zinc/57/67/28/416576728.db2.gz	GRKNHIKDOCGRMN-NSHDSACASA-N	-1	0	305.338	1.419	20	30		DCEDRM
C#C[C@@H]1COCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000491732345	416620910	/nfs/dbraw/zinc/62/09/10/416620910.db2.gz	LKAOIPDCMGBGAK-LLVKDONJSA-N	-1	0	305.359	0.343	20	30		DCEDRM
CNC(=O)Cn1nc(NC(=O)c2ccc(C#N)c([O-])c2)cc1C	ZINC000442670566	416703049	/nfs/dbraw/zinc/70/30/49/416703049.db2.gz	JDTKGYMAWMFYPV-UHFFFAOYSA-N	-1	0	313.317	0.767	20	30		DCEDRM
C=CCn1cc(CNC(=O)N=c2nc(SC)[n-]s2)nn1	ZINC000425658307	416720065	/nfs/dbraw/zinc/72/00/65/416720065.db2.gz	JCYDUVAQGHYLNZ-UHFFFAOYSA-N	-1	0	311.396	0.781	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC1C[C@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC000562460394	416867147	/nfs/dbraw/zinc/86/71/47/416867147.db2.gz	ZGZXAEVJKUEXGN-NHCYSSNCSA-N	-1	0	300.355	0.897	20	30		DCEDRM
C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)CC1(CC#N)CC1	ZINC000519163033	416894362	/nfs/dbraw/zinc/89/43/62/416894362.db2.gz	NZFZXOPTUSLILT-RKDXNWHRSA-N	-1	0	304.393	0.858	20	30		DCEDRM
C=CCc1ccccc1OC[C@@H](O)CN1CCOC[C@@H]1C(=O)[O-]	ZINC000565103660	416921548	/nfs/dbraw/zinc/92/15/48/416921548.db2.gz	NZHCTGJAXSWOMT-LSDHHAIUSA-N	-1	0	321.373	0.940	20	30		DCEDRM
Cn1nncc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N	ZINC000616169811	416980682	/nfs/dbraw/zinc/98/06/82/416980682.db2.gz	JTKIOOVQCNIWTG-UHFFFAOYSA-N	-1	0	309.355	0.439	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC000566313170	417046803	/nfs/dbraw/zinc/04/68/03/417046803.db2.gz	FALWQPHCQNBXJN-ZYHUDNBSSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)C1CC1	ZINC000568889870	417189237	/nfs/dbraw/zinc/18/92/37/417189237.db2.gz	YCQVMUVYBONRNI-FXPVBKGRSA-N	-1	0	303.384	0.554	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2c(c1)N(C)C(=O)CO2	ZINC000528919265	417401310	/nfs/dbraw/zinc/40/13/10/417401310.db2.gz	LRELDANGRAWPBS-NSHDSACASA-N	-1	0	315.329	0.889	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC)C[C@H](C)C(=O)[O-]	ZINC000571689364	417452138	/nfs/dbraw/zinc/45/21/38/417452138.db2.gz	PVXSRGHIWZHRLM-QWRGUYRKSA-N	-1	0	305.400	0.755	20	30		DCEDRM
C=C(C)COCCNC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000572442686	417458007	/nfs/dbraw/zinc/45/80/07/417458007.db2.gz	YLORMYCPAPRZQK-NWDGAFQWSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000573442428	417472471	/nfs/dbraw/zinc/47/24/71/417472471.db2.gz	IGQJXPYQUQJYNP-MNOVXSKESA-N	-1	0	306.384	0.209	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000646001717	417845446	/nfs/dbraw/zinc/84/54/46/417845446.db2.gz	HDARGYOOROTTON-WPRPVWTQSA-N	-1	0	301.320	0.847	20	30		DCEDRM
C=CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@@H](C)COC	ZINC000662910566	417947369	/nfs/dbraw/zinc/94/73/69/417947369.db2.gz	AHMWWWTVTGGVQH-QWRGUYRKSA-N	-1	0	300.355	0.215	20	30		DCEDRM
C=CCN(C(=O)C(=O)Nc1cccnc1C(=O)[O-])[C@H](C)COC	ZINC000659063626	418052973	/nfs/dbraw/zinc/05/29/73/418052973.db2.gz	BKMGAWFVZZFXPX-SNVBAGLBSA-N	-1	0	321.333	0.768	20	30		DCEDRM
C=CCn1cc(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)nn1	ZINC000659202305	418070455	/nfs/dbraw/zinc/07/04/55/418070455.db2.gz	KZYQMFYNWKLJDL-UHFFFAOYSA-N	-1	0	304.310	0.733	20	30		DCEDRM
C=CCC1(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCOCC1	ZINC000659780199	418181290	/nfs/dbraw/zinc/18/12/90/418181290.db2.gz	KYBIGPVKXRSVKB-MLGOLLRUSA-N	-1	0	309.362	0.919	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCc2ncncc2C1)C(=O)[O-]	ZINC000649250923	418214628	/nfs/dbraw/zinc/21/46/28/418214628.db2.gz	CPFNPBMTEVFDME-GWCFXTLKSA-N	-1	0	305.334	0.354	20	30		DCEDRM
C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000656002966	418315194	/nfs/dbraw/zinc/31/51/94/418315194.db2.gz	OBAXJRVFDWKDPZ-NSHDSACASA-N	-1	0	308.334	0.674	20	30		DCEDRM
C=CCOCCCNC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000656595395	418365620	/nfs/dbraw/zinc/36/56/20/418365620.db2.gz	IZMLOXGMFGZSPZ-RYUDHWBXSA-N	-1	0	300.355	0.758	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CS(=O)(=O)c2ncc[n-]2)c1	ZINC000361281448	268251528	/nfs/dbraw/zinc/25/15/28/268251528.db2.gz	QNDQQVYGDISKJK-UHFFFAOYSA-N	-1	0	304.331	0.371	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCc2cccc(C(=O)[O-])n2)o1	ZINC000515688798	268256347	/nfs/dbraw/zinc/25/63/47/268256347.db2.gz	CLBDEBCXNLAPLG-UHFFFAOYSA-N	-1	0	321.314	0.765	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C\c1ccc(C#N)cc1	ZINC000493634939	272200720	/nfs/dbraw/zinc/20/07/20/272200720.db2.gz	UGAOFKLIPSSPQP-SREVYHEPSA-N	-1	0	321.358	0.154	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCCC1	ZINC000290435279	277842599	/nfs/dbraw/zinc/84/25/99/277842599.db2.gz	BJJOKBSHUJBWCF-UHFFFAOYSA-N	-1	0	319.379	0.622	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000273732909	303163128	/nfs/dbraw/zinc/16/31/28/303163128.db2.gz	NQVXUULMIYPBIN-MRVPVSSYSA-N	-1	0	314.294	0.437	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C)CCCCC(=O)[O-]	ZINC000573854512	332284316	/nfs/dbraw/zinc/28/43/16/332284316.db2.gz	SRCWWJUZPDTQAC-WDEREUQCSA-N	-1	0	305.400	0.946	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000573924357	332296124	/nfs/dbraw/zinc/29/61/24/332296124.db2.gz	DTNHFIUESXPXOG-QWRGUYRKSA-N	-1	0	305.400	0.659	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CCO[C@H](C)C1)C(=O)[O-]	ZINC000574496761	332380772	/nfs/dbraw/zinc/38/07/72/332380772.db2.gz	WQHGVXWGQIVBRS-UTUOFQBUSA-N	-1	0	300.355	0.757	20	30		DCEDRM
CCc1oc(C(=O)OC)cc1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000570212490	332724680	/nfs/dbraw/zinc/72/46/80/332724680.db2.gz	SCXGRZRQDAMMFP-UHFFFAOYSA-N	-1	0	303.274	0.399	20	30		DCEDRM
C[C@@H](CN(C)C(=O)Cc1cccc(OCC#N)c1)c1nnn[n-]1	ZINC000274815670	533714387	/nfs/dbraw/zinc/71/43/87/533714387.db2.gz	WPQHFPCSEIIONE-NSHDSACASA-N	-1	0	314.349	0.907	20	30		DCEDRM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)N(CC)C[C@@H](C)C#N	ZINC000417422084	334869686	/nfs/dbraw/zinc/86/96/86/334869686.db2.gz	NNIVDMDMCHUTHJ-QWRGUYRKSA-N	-1	0	305.400	0.898	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)s1	ZINC000584507801	337352444	/nfs/dbraw/zinc/35/24/44/337352444.db2.gz	XXFWJHWPEZXNFH-XVKPBYJWSA-N	-1	0	316.360	0.388	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)C(=O)NCCCC(=O)[O-]	ZINC000420551461	337507999	/nfs/dbraw/zinc/50/79/99/337507999.db2.gz	GJRLQINTGDRTKX-UHFFFAOYSA-N	-1	0	320.345	0.849	20	30		DCEDRM
N#CCc1cccc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1	ZINC000424253519	337812694	/nfs/dbraw/zinc/81/26/94/337812694.db2.gz	XOBYWONXMKDOFY-GFCCVEGCSA-N	-1	0	322.342	0.076	20	30		DCEDRM
CCN(CC#N)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000436741753	338284976	/nfs/dbraw/zinc/28/49/76/338284976.db2.gz	VBUNRLHTIRSQHQ-UHFFFAOYSA-N	-1	0	311.363	0.628	20	30		DCEDRM
C#C[C@H](CC)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000491817987	339884440	/nfs/dbraw/zinc/88/44/40/339884440.db2.gz	KAKCVIWAGBTGCO-SSDOTTSWSA-N	-1	0	308.319	0.126	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(NC(=O)OC(C)(C)C)CC1	ZINC000496371167	340004098	/nfs/dbraw/zinc/00/40/98/340004098.db2.gz	XOYYGGKMCBBKDP-UHFFFAOYSA-N	-1	0	316.379	0.513	20	30		DCEDRM
CCOC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)C1	ZINC000496609671	340008863	/nfs/dbraw/zinc/00/88/63/340008863.db2.gz	WPDKGASLYDUNDM-SNVBAGLBSA-N	-1	0	317.367	0.215	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N(C)[C@H](CC(C)(C)C)C(=O)[O-]	ZINC000542861850	341023991	/nfs/dbraw/zinc/02/39/91/341023991.db2.gz	WWJPVSPTODGVTR-SNVBAGLBSA-N	-1	0	305.400	0.898	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCOC[C@H]2C(=O)[O-])CCCCC1	ZINC000547924354	341239206	/nfs/dbraw/zinc/23/92/06/341239206.db2.gz	YPUKFVZAOMWBMT-NSHDSACASA-N	-1	0	316.379	0.576	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)[O-]	ZINC000555844741	341490676	/nfs/dbraw/zinc/49/06/76/341490676.db2.gz	HSRARJFSTVXJRD-YVECIDJPSA-N	-1	0	324.377	0.899	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cnc(CC)s1)C(=O)[O-]	ZINC000567808302	341634449	/nfs/dbraw/zinc/63/44/49/341634449.db2.gz	LWIHIZYKOXHLIN-QMMMGPOBSA-N	-1	0	320.392	0.640	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)C(=O)[O-]	ZINC001573308516	1161557295	/nfs/dbraw/zinc/55/72/95/1161557295.db2.gz	YMLPWXWUNJQOBI-HTQZYQBOSA-N	-1	0	312.775	0.156	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)c1C#N	ZINC000188138825	526527197	/nfs/dbraw/zinc/52/71/97/526527197.db2.gz	QZILMCUQLOAMPY-UHFFFAOYSA-N	-1	0	316.293	0.852	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263049027	526787731	/nfs/dbraw/zinc/78/77/31/526787731.db2.gz	PTSIYHBOXYPARM-GFCCVEGCSA-N	-1	0	308.290	0.909	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)CC1CCCC1)C(=O)OC	ZINC000360620373	526793329	/nfs/dbraw/zinc/79/33/29/526793329.db2.gz	OUPSWZOUXAOEHM-GFCCVEGCSA-N	-1	0	305.396	0.840	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1nc2nc(C)cc(C)n2n1)C(=O)[O-]	ZINC000263154496	526809502	/nfs/dbraw/zinc/80/95/02/526809502.db2.gz	XQPUKCVWYLHBOC-JTQLQIEISA-N	-1	0	319.321	0.127	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)Cc1cc(C)no1)C(=O)OC	ZINC000360587088	526810831	/nfs/dbraw/zinc/81/08/31/526810831.db2.gz	ALAZKSHPRFHLAG-NSHDSACASA-N	-1	0	318.351	0.147	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC000263004949	526959597	/nfs/dbraw/zinc/95/95/97/526959597.db2.gz	VSFANMGLDXCIEQ-ZYHUDNBSSA-N	-1	0	306.318	0.961	20	30		DCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)N1CCOCC1	ZINC000268787865	527043169	/nfs/dbraw/zinc/04/31/69/527043169.db2.gz	SMSVQHJXHSUAGP-UHFFFAOYSA-N	-1	0	323.374	0.039	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000159568073	527175920	/nfs/dbraw/zinc/17/59/20/527175920.db2.gz	WGADNTKNNJXKAV-JTQLQIEISA-N	-1	0	312.303	0.491	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC[C@@H]2C(=O)[O-])c1	ZINC000262107682	527452941	/nfs/dbraw/zinc/45/29/41/527452941.db2.gz	MKLYQOAKXVTSTQ-STQMWFEESA-N	-1	0	300.314	0.833	20	30		DCEDRM
CCOC(=O)CO/N=C(/C(=O)[N-]OCC1CC1)c1cc[nH]n1	ZINC000293881848	528820566	/nfs/dbraw/zinc/82/05/66/528820566.db2.gz	XTEKPMRIQSZRCT-FOWTUZBSSA-N	-1	0	310.310	0.151	20	30		DCEDRM
C#CCCCCC(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001665627138	1174542732	/nfs/dbraw/zinc/54/27/32/1174542732.db2.gz	LTPBVUXFNKYART-LBPRGKRZSA-N	-1	0	305.382	0.737	20	30		DCEDRM
CC(C)n1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)n1	ZINC000735959870	598839670	/nfs/dbraw/zinc/83/96/70/598839670.db2.gz	DGRPCMVTMHESCM-UHFFFAOYSA-N	-1	0	312.297	0.491	20	30		DCEDRM
C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000817685989	597293706	/nfs/dbraw/zinc/29/37/06/597293706.db2.gz	VHDHFNGZXDKRGZ-JTQLQIEISA-N	-1	0	311.359	0.990	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC1CCS(=O)(=O)CC1	ZINC000819835669	597607239	/nfs/dbraw/zinc/60/72/39/597607239.db2.gz	WSBPNFQLGPIGMS-ZDUSSCGKSA-N	-1	0	316.379	0.322	20	30		DCEDRM
CCOC(=O)N[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820369303	597635555	/nfs/dbraw/zinc/63/55/55/597635555.db2.gz	ZRKMZLIILVTOTD-YGRLFVJLSA-N	-1	0	311.338	0.728	20	30		DCEDRM
Cc1cccc(OC[C@@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000821116598	597639129	/nfs/dbraw/zinc/63/91/29/597639129.db2.gz	HWUFRBLJAFGFTR-BLLLJJGKSA-N	-1	0	320.345	0.856	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000819812257	597647104	/nfs/dbraw/zinc/64/71/04/597647104.db2.gz	ZMVJMDYALBQHIT-WBMJQRKESA-N	-1	0	321.377	0.852	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](Cn2cncn2)C1	ZINC000819810729	597647673	/nfs/dbraw/zinc/64/76/73/597647673.db2.gz	FYZCDWOVAPIOFK-SMDDNHRTSA-N	-1	0	305.338	0.521	20	30		DCEDRM
CCc1nc([C@@H]2CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO2)n[nH]1	ZINC000820492911	597652147	/nfs/dbraw/zinc/65/21/47/597652147.db2.gz	UFTQMBSJFPZANP-XPTSAGLGSA-N	-1	0	321.337	0.272	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H]1[C@@H](O)C(F)(F)F	ZINC000819811167	597657947	/nfs/dbraw/zinc/65/79/47/597657947.db2.gz	LAVPZIPNGNLWDA-BCMRRPTOSA-N	-1	0	308.256	0.905	20	30		DCEDRM
COc1cc(C(C)=NNCCC(=O)[O-])ccc1S(C)(=O)=O	ZINC000820759073	597740002	/nfs/dbraw/zinc/74/00/02/597740002.db2.gz	DYLNTBFRGUVMNG-UHFFFAOYSA-N	-1	0	314.363	0.887	20	30		DCEDRM
O=C([O-])CNC(=O)CON=Cc1c(Cl)nc2ccccn21	ZINC000821531989	597761725	/nfs/dbraw/zinc/76/17/25/597761725.db2.gz	GCUDYUKKAWAGNZ-UHFFFAOYSA-N	-1	0	310.697	0.539	20	30		DCEDRM
NC(=NOCC(=O)NCC(=O)[O-])c1nccc2ccccc21	ZINC000821345220	597761728	/nfs/dbraw/zinc/76/17/28/597761728.db2.gz	PGLCRONXIVXZHW-UHFFFAOYSA-N	-1	0	302.290	0.073	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CCO1	ZINC000821320752	598174177	/nfs/dbraw/zinc/17/41/77/598174177.db2.gz	WPYMJBPHIIRFCC-VIFPVBQESA-N	-1	0	303.274	0.074	20	30		DCEDRM
Cc1cc(NC(=O)CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])no1	ZINC000821013593	598222946	/nfs/dbraw/zinc/22/29/46/598222946.db2.gz	HEHHYDFQJVFFRL-ZDUSSCGKSA-N	-1	0	308.294	0.385	20	30		DCEDRM
CCCNC(=O)C1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820321149	598223159	/nfs/dbraw/zinc/22/31/59/598223159.db2.gz	NWIAKNHMDXTQLF-OAHLLOKOSA-N	-1	0	309.366	0.756	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCOc1ccc2c(c1)OCO2	ZINC000819842827	598224199	/nfs/dbraw/zinc/22/41/99/598224199.db2.gz	VFBCBNDBLFZITJ-OAHLLOKOSA-N	-1	0	320.301	0.915	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(c2ccccc2)C1=O	ZINC000819834254	598227114	/nfs/dbraw/zinc/22/71/14/598227114.db2.gz	MFQRFZQZQRHDRU-MLGOLLRUSA-N	-1	0	315.329	0.913	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CS(=O)(=O)c2ccccc21	ZINC000819834462	598227880	/nfs/dbraw/zinc/22/78/80/598227880.db2.gz	NTBGOTBEAVSWAR-HZMBPMFUSA-N	-1	0	322.342	0.636	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nc(-c2ccncc2)no1	ZINC000819848992	598228612	/nfs/dbraw/zinc/22/86/12/598228612.db2.gz	WMMWUYHUVOAEGU-CQSZACIVSA-N	-1	0	315.289	0.752	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000819824482	598230395	/nfs/dbraw/zinc/23/03/95/598230395.db2.gz	YHOPYQWNGGOGOU-MLGOLLRUSA-N	-1	0	321.377	0.898	20	30		DCEDRM
COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820749078	598230487	/nfs/dbraw/zinc/23/04/87/598230487.db2.gz	FXPGUBIAUFXFED-XPTSAGLGSA-N	-1	0	321.337	0.380	20	30		DCEDRM
C#Cc1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)nc1	ZINC000735389667	598776959	/nfs/dbraw/zinc/77/69/59/598776959.db2.gz	FSDOCODNDYHMKI-UHFFFAOYSA-N	-1	0	305.261	0.090	20	30		DCEDRM
Cc1nc(SCC(=O)N[C@@H](CO)C(=O)[O-])c(C#N)c(C)c1C	ZINC000738868537	599743743	/nfs/dbraw/zinc/74/37/43/599743743.db2.gz	JNIKBHZNTSRXLT-NSHDSACASA-N	-1	0	323.374	0.532	20	30		DCEDRM
CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@H]1c1cnn2ccccc12	ZINC000736125631	599849135	/nfs/dbraw/zinc/84/91/35/599849135.db2.gz	JPVQMEWGWHECDD-NSHDSACASA-N	-1	0	316.342	0.781	20	30		DCEDRM
N#CCn1c(C(=O)OCC(=O)NCC(=O)[O-])cc2ccccc21	ZINC000739091829	599871237	/nfs/dbraw/zinc/87/12/37/599871237.db2.gz	BXJGDJAKWBRJRV-UHFFFAOYSA-N	-1	0	315.285	0.522	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCCN(C)C(=O)[O-]	ZINC000736106185	599872032	/nfs/dbraw/zinc/87/20/32/599872032.db2.gz	SHCFUVMJSFWKST-VIFPVBQESA-N	-1	0	315.326	0.320	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NCCOc2ccc(C(=O)[O-])cc2)CCO1	ZINC000739069933	599961452	/nfs/dbraw/zinc/96/14/52/599961452.db2.gz	VDSKGSYONLOMAI-ZDUSSCGKSA-N	-1	0	319.317	0.698	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)ccc1C(=O)[O-]	ZINC000738405471	599998184	/nfs/dbraw/zinc/99/81/84/599998184.db2.gz	AOGLGYCNKCSTTP-NSHDSACASA-N	-1	0	317.301	0.383	20	30		DCEDRM
N#Cc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nc1	ZINC000739122227	600092311	/nfs/dbraw/zinc/09/23/11/600092311.db2.gz	BTZPGTCFMDDMKF-OLZOCXBDSA-N	-1	0	314.345	0.759	20	30		DCEDRM
C[C@H](CS(=O)(=O)CC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000736616599	600196465	/nfs/dbraw/zinc/19/64/65/600196465.db2.gz	SIGWSUWINOYWLG-SECBINFHSA-N	-1	0	310.331	0.632	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000737078444	600208144	/nfs/dbraw/zinc/20/81/44/600208144.db2.gz	MEDJTTMVCSZRAH-CMPLNLGQSA-N	-1	0	313.354	0.830	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)C(=O)[O-]	ZINC000736588386	600347090	/nfs/dbraw/zinc/34/70/90/600347090.db2.gz	OUIHNNVUJQLKNF-SECBINFHSA-N	-1	0	305.290	0.364	20	30		DCEDRM
C[C@H]1Oc2c(cccc2C(=O)N(CC#N)CC(=O)[O-])NC1=O	ZINC000736834773	600400807	/nfs/dbraw/zinc/40/08/07/600400807.db2.gz	KBQVTPHAKMTZDM-MRVPVSSYSA-N	-1	0	303.274	0.456	20	30		DCEDRM
COc1ccc2c(c1)C[C@@H](C(=O)N(CC#N)CC(=O)[O-])CO2	ZINC000738073067	600402898	/nfs/dbraw/zinc/40/28/98/600402898.db2.gz	AQDMWUSPCSYZBR-LLVKDONJSA-N	-1	0	304.302	0.683	20	30		DCEDRM
COC(=O)COc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000737622614	600402905	/nfs/dbraw/zinc/40/29/05/600402905.db2.gz	PXXLRGBKWJZKLI-UHFFFAOYSA-N	-1	0	306.274	0.289	20	30		DCEDRM
COc1ccc2c(c1)OC[C@@H](C(=O)N(CC#N)CC(=O)[O-])C2	ZINC000738079015	600402955	/nfs/dbraw/zinc/40/29/55/600402955.db2.gz	FLKHKSBLRZJHCK-NSHDSACASA-N	-1	0	304.302	0.683	20	30		DCEDRM
Cc1c(C(=O)N(CC#N)CC(=O)[O-])nnn1-c1cccc(C)c1	ZINC000738681624	600404167	/nfs/dbraw/zinc/40/41/67/600404167.db2.gz	HRTAMDVBKZIEEF-UHFFFAOYSA-N	-1	0	313.317	0.935	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(N2CCOCC2)cc1	ZINC000739087009	600405426	/nfs/dbraw/zinc/40/54/26/600405426.db2.gz	JSFHNEGWMFGFGC-UHFFFAOYSA-N	-1	0	303.318	0.574	20	30		DCEDRM
CC(=O)N[C@@H](CC(=O)N(CC#N)CC(=O)[O-])c1ccccc1	ZINC000736144486	600405519	/nfs/dbraw/zinc/40/55/19/600405519.db2.gz	DLQKTLQIHUKPDE-ZDUSSCGKSA-N	-1	0	303.318	0.691	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	ZINC000739078264	600406717	/nfs/dbraw/zinc/40/67/17/600406717.db2.gz	CNPWGSZGHJUSBQ-UHFFFAOYSA-N	-1	0	316.273	0.986	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCn1cnc2sccc2c1=O	ZINC000739077081	600407017	/nfs/dbraw/zinc/40/70/17/600407017.db2.gz	HIGWDNGLFFEJPE-UHFFFAOYSA-N	-1	0	320.330	0.285	20	30		DCEDRM
C#CCNC(=O)c1ccc(NC2CCN(C(=O)[O-])CC2)nc1	ZINC000736076412	600523059	/nfs/dbraw/zinc/52/30/59/600523059.db2.gz	NXPJVMUMRAOJSW-UHFFFAOYSA-N	-1	0	302.334	0.999	20	30		DCEDRM
CC(C)N(CCC(=O)[O-])C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000736460937	600669961	/nfs/dbraw/zinc/66/99/61/600669961.db2.gz	CWDXSUDXRIENPP-CCEZHUSRSA-N	-1	0	323.349	0.615	20	30		DCEDRM
CCn1nc(C)c(S(=O)(=O)N(CC#N)CC(=O)[O-])c1C	ZINC000830441139	600755157	/nfs/dbraw/zinc/75/51/57/600755157.db2.gz	YMVVBTFQCKVVAA-UHFFFAOYSA-N	-1	0	300.340	0.119	20	30		DCEDRM
N#CCN(C1CCCC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000833065849	600755566	/nfs/dbraw/zinc/75/55/66/600755566.db2.gz	IZDANEMNWUWVDQ-UHFFFAOYSA-N	-1	0	312.351	0.425	20	30		DCEDRM
C[C@H]1Cc2cc(S(=O)(=O)N(CC#N)CC(=O)[O-])ccc2O1	ZINC000736825501	600795937	/nfs/dbraw/zinc/79/59/37/600795937.db2.gz	MVABKJOWSKSUPR-VIFPVBQESA-N	-1	0	310.331	0.609	20	30		DCEDRM
Cc1cccc(OCCNC(=O)CN(CC#N)CC(=O)[O-])c1	ZINC000832974729	601004251	/nfs/dbraw/zinc/00/42/51/601004251.db2.gz	LPTMFDOECHBXFM-UHFFFAOYSA-N	-1	0	305.334	0.400	20	30		DCEDRM
Cn1nc(C(C)(C)C)cc1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000833059920	601006294	/nfs/dbraw/zinc/00/62/94/601006294.db2.gz	FJZQVRJZMBCMGQ-UHFFFAOYSA-N	-1	0	307.354	0.566	20	30		DCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000833067128	601007470	/nfs/dbraw/zinc/00/74/70/601007470.db2.gz	PSUVFGHQTKSZJG-NSHDSACASA-N	-1	0	309.278	0.245	20	30		DCEDRM
C[C@H]1CCCC[C@H]1OCCNC(=O)CN(CC#N)CC(=O)[O-]	ZINC000828252819	601227227	/nfs/dbraw/zinc/22/72/27/601227227.db2.gz	YKKAGVDDUXPCRN-QWHCGFSZSA-N	-1	0	311.382	0.608	20	30		DCEDRM
CN(C)c1ccc(CN(C)C(=O)CN(CC#N)CC(=O)[O-])cc1	ZINC000830830506	601241939	/nfs/dbraw/zinc/24/19/39/601241939.db2.gz	GDQWVCINNCDLNR-UHFFFAOYSA-N	-1	0	318.377	0.621	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)COc1cccc(C#N)c1	ZINC000831553979	601300943	/nfs/dbraw/zinc/30/09/43/601300943.db2.gz	NQSKOCFWLQODKS-HNNXBMFYSA-N	-1	0	306.318	0.933	20	30		DCEDRM
COCC(=O)N1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000831541280	601311636	/nfs/dbraw/zinc/31/16/36/601311636.db2.gz	QSDNQNWBCPPELK-HNNXBMFYSA-N	-1	0	317.345	0.475	20	30		DCEDRM
CNC(=O)C1(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000830979232	601352709	/nfs/dbraw/zinc/35/27/09/601352709.db2.gz	RJAYOEFJNQOIGY-NSHDSACASA-N	-1	0	302.286	0.753	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC000825609115	601387374	/nfs/dbraw/zinc/38/73/74/601387374.db2.gz	VIUWYAPQRFVSND-UHFFFAOYSA-N	-1	0	321.354	0.797	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000833068115	601391321	/nfs/dbraw/zinc/39/13/21/601391321.db2.gz	OCQKJRAVOSXFEU-GFCCVEGCSA-N	-1	0	316.285	0.885	20	30		DCEDRM
CN(C(=O)CN1CCO[C@@H](CC(=O)[O-])C1)C1(C#N)CCCCC1	ZINC000830485312	601456445	/nfs/dbraw/zinc/45/64/45/601456445.db2.gz	DBMOMQKCLPYWME-ZDUSSCGKSA-N	-1	0	323.393	0.847	20	30		DCEDRM
N#CCN1CCC(NS(=O)(=O)CC2(CC(=O)[O-])CC2)CC1	ZINC000833066566	601514894	/nfs/dbraw/zinc/51/48/94/601514894.db2.gz	BJQDLRWFOLIEKY-UHFFFAOYSA-N	-1	0	315.395	0.149	20	30		DCEDRM
N#Cc1cccc(-c2nnc(CN3CCOC[C@H]3C(=O)[O-])o2)c1	ZINC000833073870	601558633	/nfs/dbraw/zinc/55/86/33/601558633.db2.gz	JBIJNVXXDCBNSI-LBPRGKRZSA-N	-1	0	314.301	0.894	20	30		DCEDRM
Cc1oc(-c2cnn(C)c2)nc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000833024423	601565679	/nfs/dbraw/zinc/56/56/79/601565679.db2.gz	FJRSABXJWMKSPT-UHFFFAOYSA-N	-1	0	303.278	0.434	20	30		DCEDRM
C=C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC000825653383	601763250	/nfs/dbraw/zinc/76/32/50/601763250.db2.gz	JYCYFIGDYAAFKK-QMMMGPOBSA-N	-1	0	320.301	0.801	20	30		DCEDRM
C[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@@H]1C(=O)[O-]	ZINC000828341292	601763324	/nfs/dbraw/zinc/76/33/24/601763324.db2.gz	PFINGIQGTKGTAS-MFKMUULPSA-N	-1	0	315.329	0.467	20	30		DCEDRM
C=C[C@@H](C)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC000825653479	601763636	/nfs/dbraw/zinc/76/36/36/601763636.db2.gz	MHIHGONHNDXGAD-BXKDBHETSA-N	-1	0	304.302	0.556	20	30		DCEDRM
COC[C@](C)(NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000831631223	601805115	/nfs/dbraw/zinc/80/51/15/601805115.db2.gz	CEAYAACPKFSKQN-LBPRGKRZSA-N	-1	0	316.310	0.465	20	30		DCEDRM
CC(C)(CNC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000826561599	601819728	/nfs/dbraw/zinc/81/97/28/601819728.db2.gz	DTXRPMHAKPANKS-UHFFFAOYSA-N	-1	0	303.318	0.515	20	30		DCEDRM
Cc1nn(Cc2ccnc(C#N)c2)c(=O)c(-c2nnn[n-]2)c1C	ZINC000826334838	607543152	/nfs/dbraw/zinc/54/31/52/607543152.db2.gz	LRAMJXYFBLNSOB-UHFFFAOYSA-N	-1	0	308.305	0.355	20	30		DCEDRM
C#CCNS(=O)(=O)c1cc(C(=O)[O-])oc1Br	ZINC000055313180	602140725	/nfs/dbraw/zinc/14/07/25/602140725.db2.gz	GCEVYWGJLGXWKT-UHFFFAOYSA-N	-1	0	308.109	0.652	20	30		DCEDRM
COC[C@@](C)(C#N)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000831541327	602296454	/nfs/dbraw/zinc/29/64/54/602296454.db2.gz	UTQHUIZHJJTJNX-CYBMUJFWSA-N	-1	0	307.262	0.951	20	30		DCEDRM
CN(CC(=O)NCc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828108378	603497117	/nfs/dbraw/zinc/49/71/17/603497117.db2.gz	QCIPEHSKEIXVRI-CQSZACIVSA-N	-1	0	316.361	0.859	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000831156710	603593191	/nfs/dbraw/zinc/59/31/91/603593191.db2.gz	HSHJMZYQAZTIJO-LBPRGKRZSA-N	-1	0	314.301	0.651	20	30		DCEDRM
CC(C)(C)C(=O)NCCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000823754464	603598980	/nfs/dbraw/zinc/59/89/80/603598980.db2.gz	LWEZDEYAXZHCPA-LLVKDONJSA-N	-1	0	324.381	0.643	20	30		DCEDRM
C[C@@H](NC(=O)[O-])C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000825185164	603611653	/nfs/dbraw/zinc/61/16/53/603611653.db2.gz	ANSKPFOICMTXFD-APPZFPTMSA-N	-1	0	323.330	0.924	20	30		DCEDRM
CN(CC(=O)O[C@H]1CCN(c2sccc2C#N)C1=O)C(=O)[O-]	ZINC000828120249	603612365	/nfs/dbraw/zinc/61/23/65/603612365.db2.gz	HLAZUIOGURUKDR-VIFPVBQESA-N	-1	0	323.330	0.878	20	30		DCEDRM
CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000828162001	603729327	/nfs/dbraw/zinc/72/93/27/603729327.db2.gz	JYQMMNFPXNSJDZ-QMMMGPOBSA-N	-1	0	308.260	0.195	20	30		DCEDRM
N#Cc1cccc(OCC(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)c1	ZINC000831153155	603778724	/nfs/dbraw/zinc/77/87/24/603778724.db2.gz	ZDSGHIIDTLZZNS-ZDUSSCGKSA-N	-1	0	318.285	0.802	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000831141222	603843322	/nfs/dbraw/zinc/84/33/22/603843322.db2.gz	FOEPCBDBZZOJMD-AAEUAGOBSA-N	-1	0	319.317	0.166	20	30		DCEDRM
Cn1ncc2c1ncn(N=CC1CCN(C(=O)[O-])CC1)c2=O	ZINC000831054531	603858182	/nfs/dbraw/zinc/85/81/82/603858182.db2.gz	DZJQHSBRVLNDOC-UHFFFAOYSA-N	-1	0	304.310	0.354	20	30		DCEDRM
O=C([O-])N1CCC(CN=Nc2nc3[nH][nH]cc-3c(=O)n2)CC1	ZINC000831869938	603861270	/nfs/dbraw/zinc/86/12/70/603861270.db2.gz	VGBVLTSIPJHFOU-UHFFFAOYSA-N	-1	0	305.298	0.220	20	30		DCEDRM
CCC[C@@H](C)CS(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826728185	603917485	/nfs/dbraw/zinc/91/74/85/603917485.db2.gz	KKNGEQJAEUCXCB-GHMZBOCLSA-N	-1	0	303.384	0.940	20	30		DCEDRM
C[C@]1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN(C(=O)[O-])C1	ZINC000825657715	603939335	/nfs/dbraw/zinc/93/93/35/603939335.db2.gz	VVAHHIGOVZFWFB-DOMZBBRYSA-N	-1	0	306.366	0.575	20	30		DCEDRM
C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825612089	604079336	/nfs/dbraw/zinc/07/93/36/604079336.db2.gz	QIGNVGARGHXJDR-TUAOUCFPSA-N	-1	0	311.338	0.285	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CNC(=O)c1cccs1	ZINC000831082831	604081913	/nfs/dbraw/zinc/08/19/13/604081913.db2.gz	RXPSYRKGVRDENQ-SECBINFHSA-N	-1	0	322.346	0.192	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1csc([N+](=O)[O-])c1	ZINC000831091368	604082555	/nfs/dbraw/zinc/08/25/55/604082555.db2.gz	CHZAMEXQEOXADO-MRVPVSSYSA-N	-1	0	310.291	0.984	20	30		DCEDRM
Cc1ccc(C(=O)C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000830176186	604086631	/nfs/dbraw/zinc/08/66/31/604086631.db2.gz	MUKBQGHTNIWAON-LBPRGKRZSA-N	-1	0	301.302	0.892	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)n1	ZINC000830984295	604154741	/nfs/dbraw/zinc/15/47/41/604154741.db2.gz	BGSVWQPJVFVQSJ-SNVBAGLBSA-N	-1	0	306.326	0.946	20	30		DCEDRM
CCN(CC)C(=O)CCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827025081	604219092	/nfs/dbraw/zinc/21/90/92/604219092.db2.gz	NIISLRJKJXIHTP-LLVKDONJSA-N	-1	0	310.354	0.349	20	30		DCEDRM
CN(C(=O)[O-])[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000827895095	604234854	/nfs/dbraw/zinc/23/48/54/604234854.db2.gz	NBKRLWYJQQRWBE-LLVKDONJSA-N	-1	0	309.347	0.931	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2ccc(CNC(=O)[O-])cc2)n1	ZINC000833078402	604318994	/nfs/dbraw/zinc/31/89/94/604318994.db2.gz	JCNDSCRIOGCNAS-UHFFFAOYSA-N	-1	0	300.278	0.556	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)n1	ZINC000830984315	604348010	/nfs/dbraw/zinc/34/80/10/604348010.db2.gz	CCHHDHWLJVXTEP-ZDUSSCGKSA-N	-1	0	306.326	0.850	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000829979176	604498691	/nfs/dbraw/zinc/49/86/91/604498691.db2.gz	ZJDARUUDRXRVAK-LBPRGKRZSA-N	-1	0	312.347	0.668	20	30		DCEDRM
C[C@H](CC(=O)OCC(=O)NCC#N)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824730506	604538500	/nfs/dbraw/zinc/53/85/00/604538500.db2.gz	XRZLSRWIWFKQKF-MNOVXSKESA-N	-1	0	311.338	0.586	20	30		DCEDRM
C=CCSCCNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823516861	604543913	/nfs/dbraw/zinc/54/39/13/604543913.db2.gz	WYYNOTSBPYKHGL-GHMZBOCLSA-N	-1	0	317.411	0.972	20	30		DCEDRM
N#CCCN(Cc1ccco1)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000831097851	604793492	/nfs/dbraw/zinc/79/34/92/604793492.db2.gz	WIZBIOQZLGPNKR-GFCCVEGCSA-N	-1	0	307.306	0.901	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1	ZINC000833366235	604905401	/nfs/dbraw/zinc/90/54/01/604905401.db2.gz	MVDAZKQZSSYZLN-OAHLLOKOSA-N	-1	0	317.341	0.996	20	30		DCEDRM
N#CCCN(CCC#N)S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833760370	605029250	/nfs/dbraw/zinc/02/92/50/605029250.db2.gz	OSNBDYZAGZKQAJ-UHFFFAOYSA-N	-1	0	314.348	0.659	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CC(C)(C)CC(=O)[O-]	ZINC000833376356	605033930	/nfs/dbraw/zinc/03/39/30/605033930.db2.gz	BUNORHBJZXELFD-SECBINFHSA-N	-1	0	314.338	0.821	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833369626	605058706	/nfs/dbraw/zinc/05/87/06/605058706.db2.gz	BKUYZJKKTYNTQM-GFCCVEGCSA-N	-1	0	313.375	0.989	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC000833370958	605059588	/nfs/dbraw/zinc/05/95/88/605059588.db2.gz	ORRVBTKZRUODDO-NSHDSACASA-N	-1	0	313.375	0.989	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(CCc2cn(CC(=O)[O-])nn2)CC1	ZINC000833466505	605073706	/nfs/dbraw/zinc/07/37/06/605073706.db2.gz	HQLNTGNJSKFGDI-CQSZACIVSA-N	-1	0	320.397	0.071	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000833369710	605093260	/nfs/dbraw/zinc/09/32/60/605093260.db2.gz	DGHFTUALRLSDQI-GFCCVEGCSA-N	-1	0	320.345	0.553	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1ccc(C)cc1C(=O)[O-]	ZINC000833376819	605210889	/nfs/dbraw/zinc/21/08/89/605210889.db2.gz	RHIXFNHTJBEEOE-UHFFFAOYSA-N	-1	0	312.347	0.274	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CCC(C(=O)[O-])CC1	ZINC000819720041	605287935	/nfs/dbraw/zinc/28/79/35/605287935.db2.gz	FRKLHIHZBYMWDU-UHFFFAOYSA-N	-1	0	304.368	0.093	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC000833378097	605311706	/nfs/dbraw/zinc/31/17/06/605311706.db2.gz	JCVRHAJWLGWZIX-UHFFFAOYSA-N	-1	0	314.363	0.660	20	30		DCEDRM
Cc1cc(NC(=O)NCC2CN(C(=O)[O-])C2)nn1CCC#N	ZINC000833900753	605343385	/nfs/dbraw/zinc/34/33/85/605343385.db2.gz	ZONYGFFMRCVPLG-UHFFFAOYSA-N	-1	0	306.326	0.837	20	30		DCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823506338	605345818	/nfs/dbraw/zinc/34/58/18/605345818.db2.gz	GTUZARHJCKPBGF-NXEZZACHSA-N	-1	0	311.363	0.483	20	30		DCEDRM
N#Cc1cc(F)ccc1COC(=O)CNC(=O)CNC(=O)[O-]	ZINC000833975102	605382353	/nfs/dbraw/zinc/38/23/53/605382353.db2.gz	QWYBINIIQIKMDI-UHFFFAOYSA-N	-1	0	309.253	0.124	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccccc1O	ZINC000831082732	605442070	/nfs/dbraw/zinc/44/20/70/605442070.db2.gz	PMDWCLLLQIRUSO-SNVBAGLBSA-N	-1	0	305.290	0.485	20	30		DCEDRM
C=CCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833374882	605609704	/nfs/dbraw/zinc/60/97/04/605609704.db2.gz	LHARSDBWLSWTEN-UWVGGRQHSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833373865	605649649	/nfs/dbraw/zinc/64/96/49/605649649.db2.gz	GXIXASIKYULDJW-WOPDTQHZSA-N	-1	0	313.350	0.832	20	30		DCEDRM
N#CCc1ccc(OC[C@@H](O)CN2CCN(C(=O)[O-])CC2)cc1	ZINC000833966871	605671038	/nfs/dbraw/zinc/67/10/38/605671038.db2.gz	FCHKYNKESHVORU-AWEZNQCLSA-N	-1	0	319.361	0.788	20	30		DCEDRM
Cc1onc(CC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)c1C#N	ZINC000833935455	605695543	/nfs/dbraw/zinc/69/55/43/605695543.db2.gz	GWKAURNNXMTYGX-JTQLQIEISA-N	-1	0	306.322	0.903	20	30		DCEDRM
Cn1cc(C#N)c(=O)n(Cc2cccc(NC(=O)[O-])c2)c1=O	ZINC000833945506	605724485	/nfs/dbraw/zinc/72/44/85/605724485.db2.gz	SQBSTQYNPQWUCM-UHFFFAOYSA-N	-1	0	300.274	0.557	20	30		DCEDRM
N#CCCNC(=O)COC(=O)[C@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833965796	605882230	/nfs/dbraw/zinc/88/22/30/605882230.db2.gz	SLXSQXFXKONONK-SNVBAGLBSA-N	-1	0	309.322	0.340	20	30		DCEDRM
N#C[C@@H]1CSCCN1C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000833966106	605975198	/nfs/dbraw/zinc/97/51/98/605975198.db2.gz	HNXAJDNWAJHABP-GHMZBOCLSA-N	-1	0	313.379	0.613	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)c1	ZINC001027813028	660772749	/nfs/dbraw/zinc/77/27/49/660772749.db2.gz	MCDYZEYQOLLDJH-JTQLQIEISA-N	-1	0	315.337	0.104	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)N(C)CC(=O)OCC	ZINC000893697773	661282466	/nfs/dbraw/zinc/28/24/66/661282466.db2.gz	KQMYDWQKFCNODZ-UHFFFAOYSA-N	-1	0	306.384	0.445	20	30		DCEDRM
CC#CCN(C)S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000926553472	657986810	/nfs/dbraw/zinc/98/68/10/657986810.db2.gz	TZDKFTCUBXTFNS-UHFFFAOYSA-N	-1	0	315.322	0.933	20	30		DCEDRM
Cn1cc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cn1	ZINC000779317614	658302745	/nfs/dbraw/zinc/30/27/45/658302745.db2.gz	IUPYTYNUUQVLFU-UHFFFAOYSA-N	-1	0	310.379	0.493	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(CC(C)C)c1C	ZINC000179423395	658497158	/nfs/dbraw/zinc/49/71/58/658497158.db2.gz	WOUDMIIOCLFSQK-LBPRGKRZSA-N	-1	0	306.366	0.933	20	30		DCEDRM
COC[C@H](NS(=O)(=O)c1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000158586072	658503494	/nfs/dbraw/zinc/50/34/94/658503494.db2.gz	ZJBCEQWNZPBACN-VIFPVBQESA-N	-1	0	318.738	0.590	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)N(C)CCO2	ZINC000892491055	658720904	/nfs/dbraw/zinc/72/09/04/658720904.db2.gz	CEFLOFYQAFFKOK-LBPRGKRZSA-N	-1	0	317.345	0.600	20	30		DCEDRM
CCc1nc(CC(=O)[N-]S(=O)(=O)CCCC#N)cs1	ZINC000181291528	659031250	/nfs/dbraw/zinc/03/12/50/659031250.db2.gz	CWUABALDRNVSSA-UHFFFAOYSA-N	-1	0	301.393	0.998	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CCC[C@H](NCC#N)C2)cc1=O	ZINC000999628290	665667698	/nfs/dbraw/zinc/66/76/98/665667698.db2.gz	ZHXNCQSPBYBDOV-ZDUSSCGKSA-N	-1	0	319.409	0.479	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H](C)C#N)c1[O-]	ZINC000977568007	659770445	/nfs/dbraw/zinc/77/04/45/659770445.db2.gz	FEWWIIVIBFCWOY-WPRPVWTQSA-N	-1	0	305.338	0.256	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)c1[O-]	ZINC000977589580	659772183	/nfs/dbraw/zinc/77/21/83/659772183.db2.gz	WWCWLNLVNLMVQT-LBPRGKRZSA-N	-1	0	316.361	0.510	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(S(=O)(=O)CCOC)cc1	ZINC000750396699	662192352	/nfs/dbraw/zinc/19/23/52/662192352.db2.gz	FFLJLVPBFWMWCI-LBPRGKRZSA-N	-1	0	324.358	0.175	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(-c2ccc(Cl)cc2)n1	ZINC000752476228	662628049	/nfs/dbraw/zinc/62/80/49/662628049.db2.gz	LZWILVPTTZGVKO-JTQLQIEISA-N	-1	0	303.709	0.989	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000729890907	662911895	/nfs/dbraw/zinc/91/18/95/662911895.db2.gz	IQQAIOTUXNVXLN-UHFFFAOYSA-N	-1	0	314.319	0.911	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000729886323	662911907	/nfs/dbraw/zinc/91/19/07/662911907.db2.gz	BCGGRXQFJKQZCD-UHFFFAOYSA-N	-1	0	324.358	0.579	20	30		DCEDRM
CC#CC[C@@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000872500383	663050483	/nfs/dbraw/zinc/05/04/83/663050483.db2.gz	OMLIHOLBCHSXAL-XTZNXHDOSA-N	-1	0	310.441	0.491	20	30		DCEDRM
COCC[C@@H](C)S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899925445	663201235	/nfs/dbraw/zinc/20/12/35/663201235.db2.gz	DGAZFCZJTCCMFH-VXGBXAGGSA-N	-1	0	303.380	0.541	20	30		DCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)c2cnc3n2CCC3)C1	ZINC000899927163	663201492	/nfs/dbraw/zinc/20/14/92/663201492.db2.gz	TUUDZKMSARJYBY-LLVKDONJSA-N	-1	0	323.374	0.318	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2Cc3ccccc3CN2)CC1	ZINC000901066511	663313619	/nfs/dbraw/zinc/31/36/19/663313619.db2.gz	XTPXJJHTLATCCG-CYBMUJFWSA-N	-1	0	306.387	0.866	20	30		DCEDRM
N#CC1CCC(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CC1	ZINC000903407736	663453955	/nfs/dbraw/zinc/45/39/55/663453955.db2.gz	KSHVYPIDSJXIKI-HTAVTVPLSA-N	-1	0	300.380	0.500	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C1	ZINC000906007002	663595292	/nfs/dbraw/zinc/59/52/92/663595292.db2.gz	PAWQHDQXKJFWOU-GHMZBOCLSA-N	-1	0	303.380	0.846	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N(CCOC)CCC(=O)[O-])c1	ZINC000906636111	663625954	/nfs/dbraw/zinc/62/59/54/663625954.db2.gz	DIAIJXBUAZXFTR-UHFFFAOYSA-N	-1	0	318.329	0.556	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)NCC(C)(C)N1CCOCC1)C(=O)[O-]	ZINC000908748027	663767922	/nfs/dbraw/zinc/76/79/22/663767922.db2.gz	UDQQEMCIEKVTCJ-GFCCVEGCSA-N	-1	0	313.398	0.816	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)NCCOC[C@H]1CCOC1)C(=O)[O-]	ZINC000908949360	663775991	/nfs/dbraw/zinc/77/59/91/663775991.db2.gz	XMQIFLVCOPVZNC-NWDGAFQWSA-N	-1	0	300.355	0.758	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@H](NC(C)=O)c1ccccc1)C(=O)[O-]	ZINC000910051938	663836812	/nfs/dbraw/zinc/83/68/12/663836812.db2.gz	JEOYXWRTFXUQME-KGLIPLIRSA-N	-1	0	302.330	0.847	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)C(=O)[O-]	ZINC000910052365	663837270	/nfs/dbraw/zinc/83/72/70/663837270.db2.gz	VPWZNKYDLTYRGU-TZMCWYRMSA-N	-1	0	314.341	0.941	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccccc1OCC(=O)N(C)C)C(=O)[O-]	ZINC000910052515	663837341	/nfs/dbraw/zinc/83/73/41/663837341.db2.gz	AAXMYKFYDSKZHH-GFCCVEGCSA-N	-1	0	318.329	0.360	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(OC)c2c(c1)OCCO2)C(=O)[O-]	ZINC000910052902	663837408	/nfs/dbraw/zinc/83/74/08/663837408.db2.gz	JVWUMALSCMJUNU-JTQLQIEISA-N	-1	0	305.286	0.673	20	30		DCEDRM
C#CC[C@H](NC(=O)Cc1cc(F)cc2c1OCOC2)C(=O)[O-]	ZINC000910052066	663837422	/nfs/dbraw/zinc/83/74/22/663837422.db2.gz	MVZNGYKXUOCSBF-LBPRGKRZSA-N	-1	0	307.277	0.827	20	30		DCEDRM
C#CC[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000910054271	663837878	/nfs/dbraw/zinc/83/78/78/663837878.db2.gz	LUWDNVJFRLEBSQ-LBPRGKRZSA-N	-1	0	303.314	0.983	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1ccc(OCCOC)cc1)C(=O)[O-]	ZINC000910045806	663839882	/nfs/dbraw/zinc/83/98/82/663839882.db2.gz	HGZROSQLWSPBGS-CQSZACIVSA-N	-1	0	305.330	0.847	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H](C(CC)CC)N1CCOCC1)C(=O)[O-]	ZINC000910050486	663840984	/nfs/dbraw/zinc/84/09/84/663840984.db2.gz	JUJXAWVSSGMGIN-ZIAGYGMSSA-N	-1	0	310.394	0.716	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@H](Cc1cccc(OC)c1)C(=O)[O-]	ZINC000910210003	663857420	/nfs/dbraw/zinc/85/74/20/663857420.db2.gz	QYJMEGMYZXCGQQ-BXUZGUMPSA-N	-1	0	305.330	0.845	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cn(Cc2ccccc2)nn1	ZINC000129326912	663946911	/nfs/dbraw/zinc/94/69/11/663946911.db2.gz	PJDVVWWUXWBHDG-ZDUSSCGKSA-N	-1	0	309.329	0.927	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000911349086	664033922	/nfs/dbraw/zinc/03/39/22/664033922.db2.gz	KXFJORDDEFNGOR-DGCLKSJQSA-N	-1	0	305.330	0.790	20	30		DCEDRM
C=C1CCC(C(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	ZINC000911366661	664043597	/nfs/dbraw/zinc/04/35/97/664043597.db2.gz	WLJAUWDQEZHRQR-UHFFFAOYSA-N	-1	0	310.394	0.978	20	30		DCEDRM
C#CCN(C(=O)c1coc(S(=O)(=O)NC)c1)C1CSC1	ZINC000912366080	664166625	/nfs/dbraw/zinc/16/66/25/664166625.db2.gz	FLHZSCBKVLCZLA-UHFFFAOYSA-N	-1	0	314.388	0.379	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(N2CCNC2=O)cc1	ZINC000129468820	664229635	/nfs/dbraw/zinc/22/96/35/664229635.db2.gz	ZKGUOSMPXILBKO-CYBMUJFWSA-N	-1	0	312.329	0.817	20	30		DCEDRM
C#Cc1cncc(C(=O)N[C@@H](CCSC)c2nnn[n-]2)c1	ZINC000912862111	664238514	/nfs/dbraw/zinc/23/85/14/664238514.db2.gz	IMYLRNJWDUPPKP-NSHDSACASA-N	-1	0	302.363	0.800	20	30		DCEDRM
CCc1ccc(C#CC(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1	ZINC000913499592	664334263	/nfs/dbraw/zinc/33/42/63/664334263.db2.gz	WMYYCOGEGLNXTG-CQSZACIVSA-N	-1	0	311.345	0.714	20	30		DCEDRM
N#Cc1ccc(Cl)cc1S(=O)(=O)NCC[C@H](O)C(=O)[O-]	ZINC000230064649	664612587	/nfs/dbraw/zinc/61/25/87/664612587.db2.gz	ZWSAHHOLRJESCT-VIFPVBQESA-N	-1	0	318.738	0.326	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccn1)[C@H]1CCCO1	ZINC000914390418	664776753	/nfs/dbraw/zinc/77/67/53/664776753.db2.gz	BSUZRLYWXAITEJ-NWDGAFQWSA-N	-1	0	324.358	0.327	20	30		DCEDRM
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1cccc(F)c1	ZINC000732909045	664973616	/nfs/dbraw/zinc/97/36/16/664973616.db2.gz	WTAPZLZLMDXCOD-LBPRGKRZSA-N	-1	0	324.333	0.405	20	30		DCEDRM
Cc1nnc(N=NC2CCN(c3cnccn3)CC2)[n-]c1=O	ZINC000915944187	665054066	/nfs/dbraw/zinc/05/40/66/665054066.db2.gz	DECLVESDZOXVIF-UHFFFAOYSA-N	-1	0	300.326	0.744	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc([S@](C)=O)cc1	ZINC000916875876	665098381	/nfs/dbraw/zinc/09/83/81/665098381.db2.gz	VYWTUFDKWIXAPO-DMZKTXOQSA-N	-1	0	322.386	0.899	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc2cc(C)nn2c1C	ZINC000916892099	665099433	/nfs/dbraw/zinc/09/94/33/665099433.db2.gz	IDGFRTNOZOZYNG-LLVKDONJSA-N	-1	0	315.333	0.431	20	30		DCEDRM
N#CCCNS(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1	ZINC000447144619	666086184	/nfs/dbraw/zinc/08/61/84/666086184.db2.gz	BOPZNJPAGXHRKS-UHFFFAOYSA-N	-1	0	310.331	0.926	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCCN2C(=O)[C@H](C)C#N)c1[O-]	ZINC001002925633	666246201	/nfs/dbraw/zinc/24/62/01/666246201.db2.gz	UFQRVSRDSDAFHR-KOLCDFICSA-N	-1	0	319.365	0.646	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)[C@H]2CCN(CC#N)C2)cc1=O	ZINC001033238701	666644077	/nfs/dbraw/zinc/64/40/77/666644077.db2.gz	YLTLMIGMSVFLFE-AWEZNQCLSA-N	-1	0	319.409	0.431	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1csnc1Cl	ZINC000861400346	666925600	/nfs/dbraw/zinc/92/56/00/666925600.db2.gz	PGYVQVOIRDVLOF-ZCFIWIBFSA-N	-1	0	308.768	0.640	20	30		DCEDRM
C=CCO[N-]C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1	ZINC000861924499	666996100	/nfs/dbraw/zinc/99/61/00/666996100.db2.gz	RCEIVTDXOVAKSB-UHFFFAOYSA-N	-1	0	306.318	0.604	20	30		DCEDRM
N#CCN1CCCC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001034431429	667025121	/nfs/dbraw/zinc/02/51/21/667025121.db2.gz	JTWDKDVOELRFHO-NSHDSACASA-N	-1	0	314.349	0.130	20	30		DCEDRM
CC(=NNC1=NCC(=O)N1)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000863177874	667116571	/nfs/dbraw/zinc/11/65/71/667116571.db2.gz	YMVGODDZOMAGDS-VIFPVBQESA-N	-1	0	304.306	0.338	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-]	ZINC000863416976	667141267	/nfs/dbraw/zinc/14/12/67/667141267.db2.gz	OVUISMYPOMQDQJ-QWRGUYRKSA-N	-1	0	321.399	0.181	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1ccnn1CC)C(=O)[O-]	ZINC000863420049	667141891	/nfs/dbraw/zinc/14/18/91/667141891.db2.gz	HWSKGKULWTZALQ-MRVPVSSYSA-N	-1	0	307.759	0.777	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)[O-]	ZINC000863421979	667142327	/nfs/dbraw/zinc/14/23/27/667142327.db2.gz	YBYWOTKJFZOMFS-MRVPVSSYSA-N	-1	0	307.759	0.901	20	30		DCEDRM
C[C@H]1CN(c2cccc(S(N)(=O)=O)c2C#N)CC[C@@H]1C(=O)[O-]	ZINC000863733945	667173813	/nfs/dbraw/zinc/17/38/13/667173813.db2.gz	HWWOXSQYZJMCDQ-UWVGGRQHSA-N	-1	0	323.374	0.753	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000863789555	667182381	/nfs/dbraw/zinc/18/23/81/667182381.db2.gz	PAEYAELNZUENTA-SNVBAGLBSA-N	-1	0	316.317	0.594	20	30		DCEDRM
C[C@H](CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C1CC1	ZINC000863934785	667195064	/nfs/dbraw/zinc/19/50/64/667195064.db2.gz	NTSYIHGUELUDLR-SECBINFHSA-N	-1	0	302.334	0.640	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C[C@@H]1CCOC[C@@H]1OCC)C(=O)[O-]	ZINC000864146190	667219468	/nfs/dbraw/zinc/21/94/68/667219468.db2.gz	RXFKMOKGCMPWCW-AVGNSLFASA-N	-1	0	315.366	0.590	20	30		DCEDRM
CCC[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1nnn[n-]1	ZINC000122253217	667591118	/nfs/dbraw/zinc/59/11/18/667591118.db2.gz	ADKAUVFKCURSBB-NSHDSACASA-N	-1	0	313.317	0.938	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1	ZINC000737493940	667611713	/nfs/dbraw/zinc/61/17/13/667611713.db2.gz	NZJPIZANBILWJC-UHFFFAOYSA-N	-1	0	316.313	0.068	20	30		DCEDRM
CC(C)(NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000737596029	667626451	/nfs/dbraw/zinc/62/64/51/667626451.db2.gz	SNNQBIJUZUCPQO-UHFFFAOYSA-N	-1	0	324.358	0.452	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCOC[C@@H]1CCCO1	ZINC000122657672	667668240	/nfs/dbraw/zinc/66/82/40/667668240.db2.gz	OXELPBDJZVJCJV-RYUDHWBXSA-N	-1	0	305.334	0.897	20	30		DCEDRM
CCOC(=O)CS(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000838846058	667712059	/nfs/dbraw/zinc/71/20/59/667712059.db2.gz	YSCGODXLDKIJJY-UHFFFAOYSA-N	-1	0	324.358	0.304	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cn(Cc2ccccn2)nn1	ZINC000744023293	667819404	/nfs/dbraw/zinc/81/94/04/667819404.db2.gz	GHCSGHYLIMYKSK-ZDUSSCGKSA-N	-1	0	324.344	0.666	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)n(C)n1	ZINC000744023960	667819410	/nfs/dbraw/zinc/81/94/10/667819410.db2.gz	NAQORPMOQHWJND-NSHDSACASA-N	-1	0	304.350	0.773	20	30		DCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)nnn1C	ZINC000744088858	667820209	/nfs/dbraw/zinc/82/02/09/667820209.db2.gz	KTDANYPRIHSVEK-UHFFFAOYSA-N	-1	0	319.346	0.255	20	30		DCEDRM
C#C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)[C@@H]1CCCO1	ZINC000872477350	667901326	/nfs/dbraw/zinc/90/13/26/667901326.db2.gz	HBBVGAMCOSDCFS-ADWYPQAOSA-N	-1	0	322.452	0.898	20	30		DCEDRM
CC(C)S(=O)(=O)NN=Cc1ccccc1OCC(=O)[O-]	ZINC000749745234	667962758	/nfs/dbraw/zinc/96/27/58/667962758.db2.gz	MXCYVBOHDGOSMT-UHFFFAOYSA-N	-1	0	300.336	0.812	20	30		DCEDRM
N#Cc1nc(NC(=O)Cc2ccc3c(c2)NC(=O)C3)[n-]c1C#N	ZINC000753420988	668030387	/nfs/dbraw/zinc/03/03/87/668030387.db2.gz	VRJYBWHTIQECIZ-UHFFFAOYSA-N	-1	0	306.285	0.829	20	30		DCEDRM
Cn1cc(C(N)=O)cc1C([O-])=C(C#N)C(=O)NC1CCCCC1	ZINC000756232856	668082802	/nfs/dbraw/zinc/08/28/02/668082802.db2.gz	HDSAELXMKQMRFN-LBPRGKRZSA-N	-1	0	316.361	0.895	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1	ZINC000756497693	668090539	/nfs/dbraw/zinc/09/05/39/668090539.db2.gz	KSANKDCRYGHVNU-UHFFFAOYSA-N	-1	0	311.359	0.930	20	30		DCEDRM
Cn1ncc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)n1	ZINC000805101132	668095184	/nfs/dbraw/zinc/09/51/84/668095184.db2.gz	SHCJNYLGUZOKOI-UHFFFAOYSA-N	-1	0	313.289	0.443	20	30		DCEDRM
CC(=NNCCS(C)(=O)=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758109775	668156506	/nfs/dbraw/zinc/15/65/06/668156506.db2.gz	LFIKRNKDZNECTH-UHFFFAOYSA-N	-1	0	301.324	0.659	20	30		DCEDRM
COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000758502308	668180476	/nfs/dbraw/zinc/18/04/76/668180476.db2.gz	AQMFUCXOELOHEG-JTQLQIEISA-N	-1	0	324.358	0.703	20	30		DCEDRM
C#C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@H]1CCCO1	ZINC000759204413	668210410	/nfs/dbraw/zinc/21/04/10/668210410.db2.gz	XJJVOUKBWFFDJX-RKDXNWHRSA-N	-1	0	306.284	0.741	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1COc2cc(OC)ccc2C1	ZINC000763032537	668392677	/nfs/dbraw/zinc/39/26/77/668392677.db2.gz	AWJSFKFYEDNCQQ-NSHDSACASA-N	-1	0	311.359	0.878	20	30		DCEDRM
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(=O)[nH][n-]1	ZINC000764480532	668449325	/nfs/dbraw/zinc/44/93/25/668449325.db2.gz	IHCWNPGSROARCV-UHFFFAOYSA-N	-1	0	309.289	0.262	20	30		DCEDRM
CC(C)n1cc(/C=C\C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)cn1	ZINC000876498362	668456881	/nfs/dbraw/zinc/45/68/81/668456881.db2.gz	WLMSRXPCZZMTHU-WAYWQWQTSA-N	-1	0	318.333	0.463	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@]23CCOC3)cc1	ZINC000764754208	668461041	/nfs/dbraw/zinc/46/10/41/668461041.db2.gz	TTZUCOIPEQQJOO-JSGCOSHPSA-N	-1	0	306.343	0.790	20	30		DCEDRM
Cc1cc(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)oc1C	ZINC000768174982	668601415	/nfs/dbraw/zinc/60/14/15/668601415.db2.gz	PKMLURJXASTDLR-LLVKDONJSA-N	-1	0	324.358	0.476	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)N[C@@H](COC)[C@H]1CCCO1)C(=O)[O-]	ZINC000929048357	668647395	/nfs/dbraw/zinc/64/73/95/668647395.db2.gz	DMXIPYVLPMZIBJ-SDDRHHMPSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)N2CCCC2)c1	ZINC000772713461	668781868	/nfs/dbraw/zinc/78/18/68/668781868.db2.gz	RDEHGZYUMQLLPM-UHFFFAOYSA-N	-1	0	311.363	0.496	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)cc1	ZINC000772715332	668782376	/nfs/dbraw/zinc/78/23/76/668782376.db2.gz	IYXJDUXLJYPEFP-UHFFFAOYSA-N	-1	0	314.338	0.578	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)c(C)c1	ZINC000772715740	668782293	/nfs/dbraw/zinc/78/22/93/668782293.db2.gz	PTONFBYVIGJXIH-UHFFFAOYSA-N	-1	0	323.374	0.770	20	30		DCEDRM
CC(N=Nc1ccc(S(N)(=O)=O)cn1)c1ccc(C(=O)[O-])o1	ZINC000773033698	668791630	/nfs/dbraw/zinc/79/16/30/668791630.db2.gz	IQIDCQLLBAYFTE-UHFFFAOYSA-N	-1	0	324.318	0.856	20	30		DCEDRM
Cc1nnc(NN=Cc2ncc(C3OCCO3)s2)[n-]c1=O	ZINC000773028786	668791657	/nfs/dbraw/zinc/79/16/57/668791657.db2.gz	UOKOICDOKCFQJB-UHFFFAOYSA-N	-1	0	308.323	0.834	20	30		DCEDRM
Cn1nccc1CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000774072012	668821435	/nfs/dbraw/zinc/82/14/35/668821435.db2.gz	LLSLGPJKVKDMTN-UHFFFAOYSA-N	-1	0	318.358	0.480	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774909798	668850927	/nfs/dbraw/zinc/85/09/27/668850927.db2.gz	WUTMPWGYBVSENJ-UHFFFAOYSA-N	-1	0	317.305	0.775	20	30		DCEDRM
CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776117866	668871150	/nfs/dbraw/zinc/87/11/50/668871150.db2.gz	YWWQYNHPXDDTEX-UHFFFAOYSA-N	-1	0	303.384	0.433	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000776121699	668871173	/nfs/dbraw/zinc/87/11/73/668871173.db2.gz	JBBGNKOBCMWCNL-UHFFFAOYSA-N	-1	0	307.331	0.687	20	30		DCEDRM
C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776139595	668871730	/nfs/dbraw/zinc/87/17/30/668871730.db2.gz	YJEBGLPOPVXHHQ-SECBINFHSA-N	-1	0	317.411	0.533	20	30		DCEDRM
Cc1c(CCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cnn1C	ZINC000776140863	668871731	/nfs/dbraw/zinc/87/17/31/668871731.db2.gz	NYRVBGFJQCUVES-UHFFFAOYSA-N	-1	0	312.395	0.657	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1cnc(Cl)n1C)C(=O)[O-]	ZINC000776596429	668878924	/nfs/dbraw/zinc/87/89/24/668878924.db2.gz	FQXTXJMZQITWCD-ZETCQYMHSA-N	-1	0	307.759	0.771	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccccc2)CC1	ZINC000776600201	668879059	/nfs/dbraw/zinc/87/90/59/668879059.db2.gz	IVOVZQSCRKHGSV-NWDGAFQWSA-N	-1	0	324.358	0.396	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC	ZINC000778847331	668904768	/nfs/dbraw/zinc/90/47/68/668904768.db2.gz	HKVFGBHKZPZASS-UHFFFAOYSA-N	-1	0	317.367	0.135	20	30		DCEDRM
COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779321892	668909714	/nfs/dbraw/zinc/90/97/14/668909714.db2.gz	VDZLZHAPDAZRPU-JTQLQIEISA-N	-1	0	316.379	0.716	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(C)(=O)=O)nn1-c1cccc(C#N)c1	ZINC000780293451	668977136	/nfs/dbraw/zinc/97/71/36/668977136.db2.gz	XHLQLDOFBDOWRX-UHFFFAOYSA-N	-1	0	304.331	0.742	20	30		DCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC000780371605	668982082	/nfs/dbraw/zinc/98/20/82/668982082.db2.gz	BARDQTNVBRQABH-UHFFFAOYSA-N	-1	0	303.380	0.969	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000780621580	669001671	/nfs/dbraw/zinc/00/16/71/669001671.db2.gz	WAJJYDHRPRVAHQ-GFCCVEGCSA-N	-1	0	324.358	0.562	20	30		DCEDRM
CCn1cc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cn1	ZINC000781542273	669049261	/nfs/dbraw/zinc/04/92/61/669049261.db2.gz	AWXJKFJQMNAVNF-UHFFFAOYSA-N	-1	0	324.406	0.975	20	30		DCEDRM
Cn1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)n1	ZINC000782573870	669105798	/nfs/dbraw/zinc/10/57/98/669105798.db2.gz	LCSUZJIVASEQOM-UHFFFAOYSA-N	-1	0	318.358	0.480	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)OCc2cc(=O)n3[n-]cc(C#N)c3n2)CO1	ZINC000784873514	669226185	/nfs/dbraw/zinc/22/61/85/669226185.db2.gz	BVOMYOQMWIZWLY-DTWKUNHWSA-N	-1	0	302.290	0.775	20	30		DCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000786456680	669313219	/nfs/dbraw/zinc/31/32/19/669313219.db2.gz	ZQEBZPKWNUHBMA-UHFFFAOYSA-N	-1	0	312.307	0.735	20	30		DCEDRM
N#Cc1ccc(Cn2cc(C[N-]C(=O)C(F)(F)F)nn2)nc1	ZINC000881299751	669320071	/nfs/dbraw/zinc/32/00/71/669320071.db2.gz	VHZCUCMRTCVJFX-UHFFFAOYSA-N	-1	0	310.239	0.772	20	30		DCEDRM
N#Cc1cnccc1Cn1cc(C[N-]C(=O)C(F)(F)F)nn1	ZINC000881385325	669332547	/nfs/dbraw/zinc/33/25/47/669332547.db2.gz	VCCDWZWFAYHIEZ-UHFFFAOYSA-N	-1	0	310.239	0.772	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(N)=O)C1	ZINC000786972805	669345076	/nfs/dbraw/zinc/34/50/76/669345076.db2.gz	FSRIRZKMDBVCNP-VHSXEESVSA-N	-1	0	315.395	0.274	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000787347894	669369014	/nfs/dbraw/zinc/36/90/14/669369014.db2.gz	YDHMZXNWFLKDRZ-LLVKDONJSA-N	-1	0	305.334	0.820	20	30		DCEDRM
C#CC(C)(C)NC(=O)c1cc(=O)cc(C(=O)NC(C)(C)C#C)[n-]1	ZINC000932754924	669413495	/nfs/dbraw/zinc/41/34/95/669413495.db2.gz	NCEOZPBTUXJEJW-UHFFFAOYSA-N	-1	0	313.357	0.658	20	30		DCEDRM
NC(=O)CNC(=S)NN=C1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000789017921	669467248	/nfs/dbraw/zinc/46/72/48/669467248.db2.gz	MCDJAYXCDRNQHQ-SNVBAGLBSA-N	-1	0	320.374	0.302	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COCc2ccccn2)CC1	ZINC000805915128	669540978	/nfs/dbraw/zinc/54/09/78/669540978.db2.gz	BRAFCGPJDAYFAK-UHFFFAOYSA-N	-1	0	309.347	0.348	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1COc2cc(OC)ccc2C1	ZINC000791105383	669593362	/nfs/dbraw/zinc/59/33/62/669593362.db2.gz	CUEVBJZJEYFYGH-LBPRGKRZSA-N	-1	0	323.370	0.716	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)c1	ZINC000791109940	669594270	/nfs/dbraw/zinc/59/42/70/669594270.db2.gz	VANMKAVYVIQLSC-UHFFFAOYSA-N	-1	0	303.343	0.955	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnc2)cc1	ZINC000791107902	669594432	/nfs/dbraw/zinc/59/44/32/669594432.db2.gz	MYOINBZTDOXNPI-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)Cn2ccnc2C#N)cc1	ZINC000791430699	669610466	/nfs/dbraw/zinc/61/04/66/669610466.db2.gz	DTZXGGIRWSMHHS-UHFFFAOYSA-N	-1	0	304.331	0.568	20	30		DCEDRM
CC[C@@H](NN=C(C)c1ccc(S(=O)(=O)NC)cc1)C(=O)[O-]	ZINC000793072857	669700364	/nfs/dbraw/zinc/70/03/64/669700364.db2.gz	QNFNWIULWSOSQD-GFCCVEGCSA-N	-1	0	313.379	0.772	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc3[nH]c(=O)oc32)CC1	ZINC000793202696	669707252	/nfs/dbraw/zinc/70/72/52/669707252.db2.gz	AOCOGKFNSFEYCC-UHFFFAOYSA-N	-1	0	321.314	0.897	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2noc3c2CCCC3)CC1	ZINC000793212568	669708073	/nfs/dbraw/zinc/70/80/73/669708073.db2.gz	QLLLUYNFYJYLMP-UHFFFAOYSA-N	-1	0	309.347	0.917	20	30		DCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccn2)ccn1	ZINC000793319859	669714815	/nfs/dbraw/zinc/71/48/15/669714815.db2.gz	QRLMCBNBECLMTF-UHFFFAOYSA-N	-1	0	302.315	0.608	20	30		DCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cnn(CC#N)c2)cc1C#N	ZINC000793386332	669716097	/nfs/dbraw/zinc/71/60/97/669716097.db2.gz	ZFZIQNISIMCKNL-UHFFFAOYSA-N	-1	0	302.319	0.783	20	30		DCEDRM
C[C@H]1COC(=O)C1=N[N-]c1ccc(S(=O)(=O)NC2CC2)cn1	ZINC000794891357	669866832	/nfs/dbraw/zinc/86/68/32/669866832.db2.gz	MUWIMOBJNNAMPC-QMMMGPOBSA-N	-1	0	324.362	0.483	20	30		DCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)Cc2cccnc2)ccn1	ZINC000796829906	669943686	/nfs/dbraw/zinc/94/36/86/669943686.db2.gz	SFPIYGYTUBFDLO-UHFFFAOYSA-N	-1	0	302.315	0.608	20	30		DCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797299912	669964497	/nfs/dbraw/zinc/96/44/97/669964497.db2.gz	NPHDEXRVHMMNJN-ZETCQYMHSA-N	-1	0	300.292	0.081	20	30		DCEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C#N)oc2C)cn1	ZINC000797962152	669981821	/nfs/dbraw/zinc/98/18/21/669981821.db2.gz	DWFITUWIYOFYIR-UHFFFAOYSA-N	-1	0	321.314	0.982	20	30		DCEDRM
Cn1nncc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000798853975	670027744	/nfs/dbraw/zinc/02/77/44/670027744.db2.gz	WIHCKADRGFGMHX-UHFFFAOYSA-N	-1	0	311.367	0.349	20	30		DCEDRM
CN1C(=O)CN(N=Cc2cn(CC(=O)[O-])c3ccccc23)C1=O	ZINC000799883858	670075157	/nfs/dbraw/zinc/07/51/57/670075157.db2.gz	UNXNGQUFEMAFHO-UHFFFAOYSA-N	-1	0	314.301	0.954	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccccc1CN1CCOCC1	ZINC000802121900	670151296	/nfs/dbraw/zinc/15/12/96/670151296.db2.gz	UOYCDLHOXZYDIG-UHFFFAOYSA-N	-1	0	324.402	0.764	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC	ZINC000802157469	670153854	/nfs/dbraw/zinc/15/38/54/670153854.db2.gz	FXNIMYVPPRIZEZ-GHMZBOCLSA-N	-1	0	303.380	0.824	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCCn1c(C)cc(=O)cc1C	ZINC000810643953	670492169	/nfs/dbraw/zinc/49/21/69/670492169.db2.gz	PXJOLGARVNMLOW-UHFFFAOYSA-N	-1	0	312.391	0.877	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)CCC1	ZINC000810693159	670494272	/nfs/dbraw/zinc/49/42/72/670494272.db2.gz	LYOVXOWTCBMRJN-UHFFFAOYSA-N	-1	0	310.335	0.029	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CN(C)C(=O)c2ccccc21	ZINC000810773043	670496724	/nfs/dbraw/zinc/49/67/24/670496724.db2.gz	PMKYXHKQOCFBLQ-CYBMUJFWSA-N	-1	0	320.370	0.325	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COc1cccc([N+](=O)[O-])c1	ZINC000810778052	670497292	/nfs/dbraw/zinc/49/72/92/670497292.db2.gz	MNZSSSLGINOZIO-UHFFFAOYSA-N	-1	0	312.303	0.443	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nc(C)n(-c2ccccc2)n1	ZINC000810778264	670497390	/nfs/dbraw/zinc/49/73/90/670497390.db2.gz	RJXLQSCGDQZRTR-UHFFFAOYSA-N	-1	0	318.358	0.659	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccsc1	ZINC000810781538	670497798	/nfs/dbraw/zinc/49/77/98/670497798.db2.gz	RXTQYBAWXDDMFI-UHFFFAOYSA-N	-1	0	314.388	0.337	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000810781388	670497829	/nfs/dbraw/zinc/49/78/29/670497829.db2.gz	QNHCWIPYXZTDIV-UHFFFAOYSA-N	-1	0	312.303	0.686	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1c(C)onc1N)OCC	ZINC000810828259	670498622	/nfs/dbraw/zinc/49/86/22/670498622.db2.gz	LOCRYUOJLDBAMQ-VIFPVBQESA-N	-1	0	317.367	0.741	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCCC(=O)NCC)CC1	ZINC000810985834	670502181	/nfs/dbraw/zinc/50/21/81/670502181.db2.gz	IWNMVYHOAOPUJZ-UHFFFAOYSA-N	-1	0	302.396	0.848	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cnn3cccnc23)CC1	ZINC000810985076	670502201	/nfs/dbraw/zinc/50/22/01/670502201.db2.gz	WUDAQEPEYIMFRB-UHFFFAOYSA-N	-1	0	306.347	0.898	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnc(N(C)C)cn1	ZINC000847621454	670582885	/nfs/dbraw/zinc/58/28/85/670582885.db2.gz	MOUWYIGMLGADJC-LLVKDONJSA-N	-1	0	319.365	0.408	20	30		DCEDRM
COc1cnc(F)c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000847678358	670589477	/nfs/dbraw/zinc/58/94/77/670589477.db2.gz	FRYIWNHAXLIUHG-UHFFFAOYSA-N	-1	0	313.310	0.593	20	30		DCEDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847711700	670593155	/nfs/dbraw/zinc/59/31/55/670593155.db2.gz	DBNWNJMMUICDJT-UHFFFAOYSA-N	-1	0	304.368	0.716	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1	ZINC000847998395	670619239	/nfs/dbraw/zinc/61/92/39/670619239.db2.gz	VCASRFVVUAAIEL-SSDOTTSWSA-N	-1	0	301.324	0.181	20	30		DCEDRM
C=CCO[N-]C(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O	ZINC000854852529	670642782	/nfs/dbraw/zinc/64/27/82/670642782.db2.gz	PLHVKDRJKJKREE-UHFFFAOYSA-N	-1	0	319.317	0.798	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCCO2)c1	ZINC000813981236	670667500	/nfs/dbraw/zinc/66/75/00/670667500.db2.gz	VQWXHERMPGMINA-NSHDSACASA-N	-1	0	309.347	0.717	20	30		DCEDRM
CCn1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)cn1	ZINC000813981598	670667568	/nfs/dbraw/zinc/66/75/68/670667568.db2.gz	GCAJKAWVNJNZJP-UHFFFAOYSA-N	-1	0	305.319	0.288	20	30		DCEDRM
N#CCCn1cc(C=Nn2c(=O)[n-][nH]c2=O)c(-c2ccncc2)n1	ZINC000814233073	670681660	/nfs/dbraw/zinc/68/16/60/670681660.db2.gz	ZNZSQBVCLJBAKU-UHFFFAOYSA-N	-1	0	324.304	0.744	20	30		DCEDRM
Cn1cc(C=Nn2c(=O)[n-][nH]c2=O)c(-c2ccc(C#N)cc2)n1	ZINC000814231556	670682159	/nfs/dbraw/zinc/68/21/59/670682159.db2.gz	IQMSXKLLGSBMAF-UHFFFAOYSA-N	-1	0	309.289	0.844	20	30		DCEDRM
CCn1ncn(N=Cc2ccc(OCCC(=O)[O-])cc2)c1=O	ZINC000814235548	670682485	/nfs/dbraw/zinc/68/24/85/670682485.db2.gz	PGMMZABTHJINBU-UHFFFAOYSA-N	-1	0	304.306	0.800	20	30		DCEDRM
C=CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H](C)COC	ZINC000855371911	670702502	/nfs/dbraw/zinc/70/25/02/670702502.db2.gz	MGMIUTLGNQNMDC-JTQLQIEISA-N	-1	0	305.338	0.121	20	30		DCEDRM
Cc1nnc(NN=C2CCCc3c2ccc(=O)n3C)[n-]c1=O	ZINC000814735062	670702948	/nfs/dbraw/zinc/70/29/48/670702948.db2.gz	OQYRKWPZHXDAGS-UHFFFAOYSA-N	-1	0	300.322	0.737	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C1CC[C@H](CC(=O)[O-])[C@H]1C	ZINC000814845550	670705875	/nfs/dbraw/zinc/70/58/75/670705875.db2.gz	ZPXDCEPVLGPLNQ-HTQZYQBOSA-N	-1	0	300.384	0.073	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](CCC(N)=O)NC(=O)CCC1CCCC1	ZINC000855606924	670734600	/nfs/dbraw/zinc/73/46/00/670734600.db2.gz	RUIMXFZDMDBECA-ZDUSSCGKSA-N	-1	0	323.393	0.388	20	30		DCEDRM
CCn1nncc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000815895035	670770462	/nfs/dbraw/zinc/77/04/62/670770462.db2.gz	BODMFQBNNWDSBL-UHFFFAOYSA-N	-1	0	305.319	0.288	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ncc(C#N)cc1C	ZINC000815904955	670771433	/nfs/dbraw/zinc/77/14/33/670771433.db2.gz	URALCJCYTLBJJQ-GFCCVEGCSA-N	-1	0	300.318	0.737	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2ncc(C#N)cc2C)cn1	ZINC000815973957	670776655	/nfs/dbraw/zinc/77/66/55/670776655.db2.gz	UNYLCEBYVYUMOZ-UHFFFAOYSA-N	-1	0	319.346	0.597	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)[N-]OCCN1CCCC1=O	ZINC000856036636	670777841	/nfs/dbraw/zinc/77/78/41/670777841.db2.gz	GBZBUMZDEFNQAY-GFCCVEGCSA-N	-1	0	317.345	0.996	20	30		DCEDRM
C#CC[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC000849331963	670777969	/nfs/dbraw/zinc/77/79/69/670777969.db2.gz	GOKHQBLKDSYLCR-OLZOCXBDSA-N	-1	0	314.407	0.763	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000816021673	670780268	/nfs/dbraw/zinc/78/02/68/670780268.db2.gz	WFBIOYZKNSDMDJ-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC	ZINC000816023842	670780462	/nfs/dbraw/zinc/78/04/62/670780462.db2.gz	KTPMPPRMMFFXIT-JGVFFNPUSA-N	-1	0	313.322	0.841	20	30		DCEDRM
C#CCCS(=O)(=O)[N-][C@]1(C(=O)OC(C)(C)C)CCOC1	ZINC000849446932	670801103	/nfs/dbraw/zinc/80/11/03/670801103.db2.gz	FJEHROGWMLWPRV-CYBMUJFWSA-N	-1	0	303.380	0.430	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCOC1	ZINC000850732547	670936988	/nfs/dbraw/zinc/93/69/88/670936988.db2.gz	ASFMLRWMXMIWSL-WCQYABFASA-N	-1	0	324.358	0.415	20	30		DCEDRM
COC[C@H](OC)C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000850734774	670937585	/nfs/dbraw/zinc/93/75/85/670937585.db2.gz	DLKLBTLZBWJUFZ-LBPRGKRZSA-N	-1	0	312.347	0.166	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)oc1C	ZINC000850757939	670938750	/nfs/dbraw/zinc/93/87/50/670938750.db2.gz	VKABZVDCTGAHQY-SNVBAGLBSA-N	-1	0	308.290	0.460	20	30		DCEDRM
CC(C)(C)n1nnc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC000850768865	670939677	/nfs/dbraw/zinc/93/96/77/670939677.db2.gz	ZVWNAOGFGWNUQY-SNVBAGLBSA-N	-1	0	304.354	0.809	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000817883296	670949738	/nfs/dbraw/zinc/94/97/38/670949738.db2.gz	QKTFSBROGDTQJD-UHFFFAOYSA-N	-1	0	304.302	0.618	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000817883352	670949877	/nfs/dbraw/zinc/94/98/77/670949877.db2.gz	HTSGTIUUTPNDPR-UHFFFAOYSA-N	-1	0	322.292	0.709	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)N[C@H](CC)C(=O)[O-]	ZINC000817883404	670949983	/nfs/dbraw/zinc/94/99/83/670949983.db2.gz	ILZVPTYMEOHWOY-SNVBAGLBSA-N	-1	0	304.302	0.617	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1COC[C@@H]1c1ccccc1	ZINC000850999485	670960219	/nfs/dbraw/zinc/96/02/19/670960219.db2.gz	GMFBKISIUVXPAE-KGLIPLIRSA-N	-1	0	307.371	0.886	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000851087749	670967448	/nfs/dbraw/zinc/96/74/48/670967448.db2.gz	VBULZFBDQIABJQ-SSDOTTSWSA-N	-1	0	309.303	0.888	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)c(C)o1	ZINC000851098053	670968039	/nfs/dbraw/zinc/96/80/39/670968039.db2.gz	APDICJDPGYAYJD-SSDOTTSWSA-N	-1	0	314.319	0.729	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C	ZINC000851174543	670972757	/nfs/dbraw/zinc/97/27/57/670972757.db2.gz	GESIADDBXJVHSQ-UHFFFAOYSA-N	-1	0	306.347	0.577	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)CCc1ccc(F)cc1	ZINC000851199309	670973299	/nfs/dbraw/zinc/97/32/99/670973299.db2.gz	KSRINJOOCDPANO-LLVKDONJSA-N	-1	0	313.350	0.853	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1OC	ZINC000851507147	670994985	/nfs/dbraw/zinc/99/49/85/670994985.db2.gz	XDSSGYFWHLVPNJ-VIFPVBQESA-N	-1	0	315.322	0.678	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)c1	ZINC000851680339	671011250	/nfs/dbraw/zinc/01/12/50/671011250.db2.gz	GTVXNGVACDVQRQ-UHFFFAOYSA-N	-1	0	314.341	0.655	20	30		DCEDRM
Cn1[n-]c(Br)c2c(=NCCNCCC#N)ncnc1-2	ZINC000819020845	671085889	/nfs/dbraw/zinc/08/58/89/671085889.db2.gz	IFQVQJNZWHKURS-UHFFFAOYSA-N	-1	0	324.186	0.414	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCCN(CC(F)F)CC1	ZINC000819810813	671140232	/nfs/dbraw/zinc/14/02/32/671140232.db2.gz	GMTWIZQUPKRRRC-CYBMUJFWSA-N	-1	0	303.309	0.790	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2COC(=O)N2)n1	ZINC000859910264	671156397	/nfs/dbraw/zinc/15/63/97/671156397.db2.gz	MQUBLEJTHSXAQA-YUMQZZPRSA-N	-1	0	309.303	0.279	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)OCCOCCC#N)cn1	ZINC000859924815	671159708	/nfs/dbraw/zinc/15/97/08/671159708.db2.gz	ZOXGNGCDKAASHO-UHFFFAOYSA-N	-1	0	313.335	0.540	20	30		DCEDRM
COC(=O)c1ccccc1CCC(=O)N[C@H]1CCN(O)C1=O	ZINC000820148607	671171877	/nfs/dbraw/zinc/17/18/77/671171877.db2.gz	IQCNGKNWJQHWSK-LBPRGKRZSA-N	-1	0	306.318	0.512	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2ccon2)nn1	ZINC000820184093	671175974	/nfs/dbraw/zinc/17/59/74/671175974.db2.gz	KZFYFSSZDHTNLZ-UHFFFAOYSA-N	-1	0	311.323	0.102	20	30		DCEDRM
C[C@@](O)(CNc1cc(Br)cnc1C#N)C(=O)[O-]	ZINC000852908664	671192622	/nfs/dbraw/zinc/19/26/22/671192622.db2.gz	NOFHQFIVBIVDIA-SNVBAGLBSA-N	-1	0	300.112	0.963	20	30		DCEDRM
CSCC[C@H](NC(N)=O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000860444479	671209224	/nfs/dbraw/zinc/20/92/24/671209224.db2.gz	AHCZVDARDPUHLB-VIFPVBQESA-N	-1	0	308.363	0.992	20	30		DCEDRM
COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(C#N)s1)OC	ZINC000853203092	671218004	/nfs/dbraw/zinc/21/80/04/671218004.db2.gz	KDLISZHSTTXBRU-QMMMGPOBSA-N	-1	0	318.376	0.341	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000853208420	671219735	/nfs/dbraw/zinc/21/97/35/671219735.db2.gz	ASZOSSKIZDRMJZ-MRVPVSSYSA-N	-1	0	301.311	0.305	20	30		DCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)CCOCCOC	ZINC000860612864	671223945	/nfs/dbraw/zinc/22/39/45/671223945.db2.gz	LTBPWNIKPOYNKQ-UHFFFAOYSA-N	-1	0	306.384	0.425	20	30		DCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC	ZINC000860664844	671228618	/nfs/dbraw/zinc/22/86/18/671228618.db2.gz	FFQLIGGKKKZZNK-NXEZZACHSA-N	-1	0	318.395	0.960	20	30		DCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)CCC#N)COc2ccccc2O1	ZINC000860751260	671235380	/nfs/dbraw/zinc/23/53/80/671235380.db2.gz	AGZMUUHKOISONT-CYBMUJFWSA-N	-1	0	310.331	0.576	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1COc2cc(F)ccc2C1	ZINC000860751344	671235407	/nfs/dbraw/zinc/23/54/07/671235407.db2.gz	CAPVRKXUELNIGE-JTQLQIEISA-N	-1	0	312.322	0.736	20	30		DCEDRM
C#CCSCCOC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000860763017	671236317	/nfs/dbraw/zinc/23/63/17/671236317.db2.gz	KPOZIGZJFOQVLJ-UHFFFAOYSA-N	-1	0	314.388	0.976	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)c2cn(C)c(C)n2)nn1	ZINC000821370192	671274860	/nfs/dbraw/zinc/27/48/60/671274860.db2.gz	AXNBLFABOUIUCW-UHFFFAOYSA-N	-1	0	324.366	0.015	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(OCC#N)cc1	ZINC000821582418	671284447	/nfs/dbraw/zinc/28/44/47/671284447.db2.gz	MVBRTQFNWNXFBI-UHFFFAOYSA-N	-1	0	307.331	0.491	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)Cc2cncnc2)c1	ZINC000821622399	671286317	/nfs/dbraw/zinc/28/63/17/671286317.db2.gz	BRMNOZKCRRJDPX-UHFFFAOYSA-N	-1	0	316.342	0.537	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-c2nn[nH]n2)s1	ZINC000822801099	671346063	/nfs/dbraw/zinc/34/60/63/671346063.db2.gz	DSVXHSCSHRQRKS-SSDOTTSWSA-N	-1	0	302.319	0.529	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000825967346	671475816	/nfs/dbraw/zinc/47/58/16/671475816.db2.gz	UDYQMXUGZNGANZ-CBAPKCEASA-N	-1	0	307.331	0.827	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000830245793	671620652	/nfs/dbraw/zinc/62/06/52/671620652.db2.gz	UTCOZWPIUZPCPE-VIFPVBQESA-N	-1	0	312.347	0.277	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1noc2ccccc12	ZINC000835042610	671787077	/nfs/dbraw/zinc/78/70/77/671787077.db2.gz	WDFYBZRZJNGQNI-JTQLQIEISA-N	-1	0	322.342	0.812	20	30		DCEDRM
COc1ccc2c(c1)OC[C@@H]2CC(=O)[N-]S(=O)(=O)CCC#N	ZINC000835411806	671795882	/nfs/dbraw/zinc/79/58/82/671795882.db2.gz	VFUFQQMAIJGZPZ-JTQLQIEISA-N	-1	0	324.358	0.921	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](F)C(=O)[O-]	ZINC000837296760	671855964	/nfs/dbraw/zinc/85/59/64/671855964.db2.gz	STXWHGJXYZKZGC-MRVPVSSYSA-N	-1	0	302.283	0.268	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)OC	ZINC000841538651	671940770	/nfs/dbraw/zinc/94/07/70/671940770.db2.gz	HWAPKNZFPGWTBE-JTQLQIEISA-N	-1	0	303.286	0.808	20	30		DCEDRM
CCCN1C[C@@H](C(=O)C(C#N)=C([O-])c2nccn2C)CC1=O	ZINC000842323627	672005871	/nfs/dbraw/zinc/00/58/71/672005871.db2.gz	NMKLRCUFSLHENV-WDEREUQCSA-N	-1	0	302.334	0.570	20	30		DCEDRM
CCOC(=O)c1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)[nH]n1	ZINC000843264192	672077444	/nfs/dbraw/zinc/07/74/44/672077444.db2.gz	GZKZBIXJQBDTPM-ZFDPJTLLSA-N	-1	0	318.285	0.815	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)CC1	ZINC000844814876	672204518	/nfs/dbraw/zinc/20/45/18/672204518.db2.gz	KUACOGMPEDYPBC-UHFFFAOYSA-N	-1	0	310.375	0.810	20	30		DCEDRM
CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000845501823	672253741	/nfs/dbraw/zinc/25/37/41/672253741.db2.gz	INYPTUTYDWKSCY-UHFFFAOYSA-N	-1	0	303.384	0.144	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)NCc1ccc(OCC#N)cc1	ZINC000845548707	672259739	/nfs/dbraw/zinc/25/97/39/672259739.db2.gz	NRUQGHYOHKWVNV-UHFFFAOYSA-N	-1	0	306.322	0.456	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000846003959	672288150	/nfs/dbraw/zinc/28/81/50/672288150.db2.gz	WEJZTJXULIVJLN-UHFFFAOYSA-N	-1	0	317.754	0.558	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCC(=O)OC)cc1	ZINC000846153345	672297763	/nfs/dbraw/zinc/29/77/63/672297763.db2.gz	XDUVDOQORYROEI-JTQLQIEISA-N	-1	0	322.317	0.799	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc2c1CN(C)C2=O	ZINC000846157186	672298300	/nfs/dbraw/zinc/29/83/00/672298300.db2.gz	RVDPDEQKTGBAJG-SECBINFHSA-N	-1	0	303.318	0.833	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC000846490864	672317799	/nfs/dbraw/zinc/31/77/99/672317799.db2.gz	MOPALLDURYPJQF-CYBMUJFWSA-N	-1	0	300.318	0.424	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1	ZINC000846543179	672326276	/nfs/dbraw/zinc/32/62/76/672326276.db2.gz	GPZVGTIXKOCSEL-MFKMUULPSA-N	-1	0	302.334	0.729	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1	ZINC000846543937	672326408	/nfs/dbraw/zinc/32/64/08/672326408.db2.gz	NJPYPLCIGXDHHF-TVQRCGJNSA-N	-1	0	320.324	0.868	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CC)Nc1nnnn1-c1ccccc1	ZINC000846545091	672326745	/nfs/dbraw/zinc/32/67/45/672326745.db2.gz	MADFFFAWPZGWGN-DGCLKSJQSA-N	-1	0	316.365	0.897	20	30		DCEDRM
CCOc1cnc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cn1	ZINC000793195480	685343507	/nfs/dbraw/zinc/34/35/07/685343507.db2.gz	LIYVGQSRZJAPJP-UHFFFAOYSA-N	-1	0	310.335	0.239	20	30		DCEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)n1	ZINC000813984922	685351529	/nfs/dbraw/zinc/35/15/29/685351529.db2.gz	GVDLBWUMQYTTDW-UHFFFAOYSA-N	-1	0	302.315	0.775	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1cnn(C)c1	ZINC000798849225	685347981	/nfs/dbraw/zinc/34/79/81/685347981.db2.gz	XEECHEQLIJUVOB-JTQLQIEISA-N	-1	0	314.367	0.103	20	30		DCEDRM
COC[C@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000850931961	685371176	/nfs/dbraw/zinc/37/11/76/685371176.db2.gz	DLGKZOSVLXJHDR-JTQLQIEISA-N	-1	0	304.368	0.178	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H](C)C#N)c1[O-]	ZINC000956189414	686646292	/nfs/dbraw/zinc/64/62/92/686646292.db2.gz	WHVCWDSSLDLIKF-WPRPVWTQSA-N	-1	0	305.338	0.304	20	30		DCEDRM
N#CCN1CCC2(CN(C(=O)c3ccc4oc(=O)nc-4[n-]3)C2)C1	ZINC001073124215	694707376	/nfs/dbraw/zinc/70/73/76/694707376.db2.gz	BLPRALBMEGFJBY-UHFFFAOYSA-N	-1	0	313.317	0.600	20	30		DCEDRM
C=C(C)CN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21	ZINC001074218833	694842747	/nfs/dbraw/zinc/84/27/47/694842747.db2.gz	GCBJFKBKTQMIHU-QWHCGFSZSA-N	-1	0	320.393	0.915	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001570952669	1162653427	/nfs/dbraw/zinc/65/34/27/1162653427.db2.gz	QUJPKFLDWPZVRA-OVZMXSCWSA-N	-1	0	319.409	0.907	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001691068600	1157566884	/nfs/dbraw/zinc/56/68/84/1157566884.db2.gz	BUIZNGDDULEMJH-NWDGAFQWSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001745829161	1158136998	/nfs/dbraw/zinc/13/69/98/1158136998.db2.gz	SMWVNFJKNFLCPO-SNVBAGLBSA-N	-1	0	322.365	0.346	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001745829160	1158137092	/nfs/dbraw/zinc/13/70/92/1158137092.db2.gz	SMWVNFJKNFLCPO-JTQLQIEISA-N	-1	0	322.365	0.346	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)ccc1F	ZINC001259420027	1159142114	/nfs/dbraw/zinc/14/21/14/1159142114.db2.gz	KNEIJINZNYIMIG-VIFPVBQESA-N	-1	0	315.307	0.285	20	30		DCEDRM
CC[C@@H](CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)NCC#N	ZINC001567967482	1160552588	/nfs/dbraw/zinc/55/25/88/1160552588.db2.gz	HGECAXJANNTYOQ-LBPRGKRZSA-N	-1	0	307.398	0.383	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CCC2N=NC(=O)N2C1)C(=O)[O-]	ZINC001573308494	1161558836	/nfs/dbraw/zinc/55/88/36/1161558836.db2.gz	XUQBODCDUNEJDI-JGVFFNPUSA-N	-1	0	314.729	0.258	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C(=O)[O-]	ZINC001573306717	1163411869	/nfs/dbraw/zinc/41/18/69/1163411869.db2.gz	DJXWUCQVWIJQRI-YFKPBYRVSA-N	-1	0	317.685	0.222	20	30		DCEDRM
CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CNC(=O)[O-])C2	ZINC001573384386	1163420606	/nfs/dbraw/zinc/42/06/06/1163420606.db2.gz	KYEICNVPEKAJFW-INIZCTEOSA-N	-1	0	307.394	0.982	20	30		DCEDRM
CC(=O)N1CCC(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	ZINC001573411134	1163429277	/nfs/dbraw/zinc/42/92/77/1163429277.db2.gz	JUNHPKQMDVDSGF-UHFFFAOYSA-N	-1	0	322.365	0.397	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1C2CCC(CC2)[C@H]1C(=O)[O-]	ZINC001573534903	1163461545	/nfs/dbraw/zinc/46/15/45/1163461545.db2.gz	GBEQKHHYDGDSRC-XKGSQUFQSA-N	-1	0	315.395	0.793	20	30		DCEDRM
CCn1cc(C#N)c(NC(=O)N(C)Cc2nc[nH]n2)c1C(=O)[O-]	ZINC001573844210	1163564678	/nfs/dbraw/zinc/56/46/78/1163564678.db2.gz	CEKCEDZNBONPDS-UHFFFAOYSA-N	-1	0	317.309	0.860	20	30		DCEDRM
CN([C@H]1CCC[C@H]1C#N)S(=O)(=O)Cc1cc(C(=O)[O-])no1	ZINC001573864527	1163573173	/nfs/dbraw/zinc/57/31/73/1163573173.db2.gz	IGMZWPSBQJEACO-KWQFWETISA-N	-1	0	313.335	0.827	20	30		DCEDRM
COCCN(CC(=O)N(C)CC(=O)[O-])Cc1ccc(C#N)cc1	ZINC001573984176	1163616654	/nfs/dbraw/zinc/61/66/54/1163616654.db2.gz	LWHMMSAKIIIGJC-UHFFFAOYSA-N	-1	0	319.361	0.550	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO	ZINC001574113137	1163639274	/nfs/dbraw/zinc/63/92/74/1163639274.db2.gz	LSGSOFVATQUSHX-YPMHNXCESA-N	-1	0	318.333	0.959	20	30		DCEDRM
Cc1cc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)ncc1C#N	ZINC001574141923	1163647519	/nfs/dbraw/zinc/64/75/19/1163647519.db2.gz	WDXZYYHXKSILNI-WDEREUQCSA-N	-1	0	319.321	0.354	20	30		DCEDRM
N#CCc1cccc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)n1	ZINC001574241052	1163672207	/nfs/dbraw/zinc/67/22/07/1163672207.db2.gz	GIKRPGFVZVZCOT-ONGXEEELSA-N	-1	0	319.321	0.240	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)NCc2[nH]cnc2C(=O)[O-])cc1	ZINC001574240942	1163672257	/nfs/dbraw/zinc/67/22/57/1163672257.db2.gz	FBLCVLJDMCVWIM-UHFFFAOYSA-N	-1	0	320.330	0.652	20	30		DCEDRM
CO[C@@H]1[C@H](C)[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1(C)C	ZINC001579602847	1165357091	/nfs/dbraw/zinc/35/70/91/1165357091.db2.gz	WOJJTCLFIREVEH-NZXMKCKXSA-N	-1	0	314.353	1.000	20	30		DCEDRM
CO[C@@H]1[C@@H](C)[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1(C)C	ZINC001579602848	1165357552	/nfs/dbraw/zinc/35/75/52/1165357552.db2.gz	WOJJTCLFIREVEH-UPZJHPNMSA-N	-1	0	314.353	1.000	20	30		DCEDRM
CO[C@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1(C)C	ZINC001579617190	1165359516	/nfs/dbraw/zinc/35/95/16/1165359516.db2.gz	AVLOUQSWUYXBBX-JTQLQIEISA-N	-1	0	314.353	0.780	20	30		DCEDRM
COCC1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCCC1	ZINC001579740288	1165385694	/nfs/dbraw/zinc/38/56/94/1165385694.db2.gz	MOONLLGEINOJNN-UHFFFAOYSA-N	-1	0	316.325	0.607	20	30		DCEDRM
COCCC1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001579785921	1165395689	/nfs/dbraw/zinc/39/56/89/1165395689.db2.gz	GJEDQUNCXRXGQX-UHFFFAOYSA-N	-1	0	314.353	0.781	20	30		DCEDRM
Cn1ncc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1Cl	ZINC001581830416	1165882575	/nfs/dbraw/zinc/88/25/75/1165882575.db2.gz	VLYHBPNMJMVUOV-UHFFFAOYSA-N	-1	0	318.688	0.101	20	30		DCEDRM
Cn1nc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)cc1C1CC1	ZINC001581824618	1165883200	/nfs/dbraw/zinc/88/32/00/1165883200.db2.gz	WHGCKEWXMNPFBX-UHFFFAOYSA-N	-1	0	322.336	0.751	20	30		DCEDRM
N#Cc1nc(NC(=O)CCCc2cccnc2)[n-]c1-c1nn[nH]n1	ZINC001581859979	1165891366	/nfs/dbraw/zinc/89/13/66/1165891366.db2.gz	FTPREPOGEQFREU-UHFFFAOYSA-N	-1	0	323.320	0.818	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cnn(CC3CC3)c2)[n-]c1-c1nn[nH]n1	ZINC001581860925	1165894931	/nfs/dbraw/zinc/89/49/31/1165894931.db2.gz	ZUERQFUBTNPWTJ-UHFFFAOYSA-N	-1	0	324.308	0.320	20	30		DCEDRM
N#Cc1ncc(N[C@@H](CCO)C2CCCC2)nc1-c1nnn[n-]1	ZINC001581882852	1165901042	/nfs/dbraw/zinc/90/10/42/1165901042.db2.gz	JRHWKBHHGJKNHJ-JTQLQIEISA-N	-1	0	314.353	0.881	20	30		DCEDRM
N#Cc1ncc(NC[C@]23C[C@H]2COC32CCC2)nc1-c1nnn[n-]1	ZINC001581884267	1165904086	/nfs/dbraw/zinc/90/40/86/1165904086.db2.gz	ROXRFQLKCXXVJH-LKFCYVNXSA-N	-1	0	324.348	0.899	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)CCCc1nnn[n-]1	ZINC001583820428	1166288526	/nfs/dbraw/zinc/28/85/26/1166288526.db2.gz	BNUSMYNZRCWSBZ-UHFFFAOYSA-N	-1	0	307.354	0.326	20	30		DCEDRM
C=CCCO[N-]C(=O)COc1ccc(S(N)(=O)=O)cc1	ZINC001586069653	1166478436	/nfs/dbraw/zinc/47/84/36/1166478436.db2.gz	WTPBVEFJKQBNJB-UHFFFAOYSA-N	-1	0	300.336	0.337	20	30		DCEDRM
C#C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1ccccc1	ZINC001588329171	1166523867	/nfs/dbraw/zinc/52/38/67/1166523867.db2.gz	ZIZWFSBVXDUIFB-JTQLQIEISA-N	-1	0	323.316	0.452	20	30		DCEDRM
C#CCN(CC)c1nnc(-c2c[nH]nc2-c2nnn[n-]2)n1CC	ZINC001588350903	1166540016	/nfs/dbraw/zinc/54/00/16/1166540016.db2.gz	VQZRJJNLSODBBX-UHFFFAOYSA-N	-1	0	312.341	0.328	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(OC)cc1OCCOC)C(=O)[O-]	ZINC001588414386	1166550950	/nfs/dbraw/zinc/55/09/50/1166550950.db2.gz	LXMZHHGCHSNIGB-CYBMUJFWSA-N	-1	0	321.329	0.927	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(CC(=O)NC)cc1	ZINC001588411054	1166551484	/nfs/dbraw/zinc/55/14/84/1166551484.db2.gz	HOBSFZXIIIZGDJ-UHFFFAOYSA-N	-1	0	303.318	0.527	20	30		DCEDRM
C=C1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)CC1	ZINC001588462561	1166558561	/nfs/dbraw/zinc/55/85/61/1166558561.db2.gz	KLBDENSLXXIMML-UHFFFAOYSA-N	-1	0	306.351	0.602	20	30		DCEDRM
C=CCN(CCOC)C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001588632641	1166572819	/nfs/dbraw/zinc/57/28/19/1166572819.db2.gz	XRKYILRXDOESGU-UHFFFAOYSA-N	-1	0	318.337	0.550	20	30		DCEDRM
C=CCN(CCOC)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001588632467	1166573266	/nfs/dbraw/zinc/57/32/66/1166573266.db2.gz	RXAIDLIQJIUDAW-UHFFFAOYSA-N	-1	0	303.322	0.847	20	30		DCEDRM
C=CCn1nnnc1Sc1ncc(-c2nn[nH]n2)cc1F	ZINC001588716858	1166581436	/nfs/dbraw/zinc/58/14/36/1166581436.db2.gz	OAHVTPAELFTUNF-UHFFFAOYSA-N	-1	0	305.302	0.725	20	30		DCEDRM
C=C[C@H](CO)NCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1	ZINC001588728410	1166582535	/nfs/dbraw/zinc/58/25/35/1166582535.db2.gz	QGPAEVDOHAGFJP-LLVKDONJSA-N	-1	0	313.321	0.553	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[nH]n1	ZINC001589788425	1166688848	/nfs/dbraw/zinc/68/88/48/1166688848.db2.gz	WFKBNMWFZBKICY-QMMMGPOBSA-N	-1	0	320.334	0.221	20	30		DCEDRM
C[C@@H](C[C@H]1CCOC1)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589803600	1166689922	/nfs/dbraw/zinc/68/99/22/1166689922.db2.gz	TXJOFWCAWXHJLC-DTWKUNHWSA-N	-1	0	300.326	0.755	20	30		DCEDRM
CCCCCCNC(=O)Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC001590594758	1166945855	/nfs/dbraw/zinc/94/58/55/1166945855.db2.gz	PRWKAEHLHOVEPY-UHFFFAOYSA-N	-1	0	317.357	0.214	20	30		DCEDRM
CCCN(CCC)C(=O)Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC001590623419	1166950799	/nfs/dbraw/zinc/95/07/99/1166950799.db2.gz	DJUTWWDZJPSZTF-UHFFFAOYSA-N	-1	0	317.357	0.166	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001590680922	1166972264	/nfs/dbraw/zinc/97/22/64/1166972264.db2.gz	MOZKKOZPODTEFO-QMMMGPOBSA-N	-1	0	310.339	0.630	20	30		DCEDRM
CCO[C@@H]1C[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)[C@H]1OC	ZINC001590791278	1167021110	/nfs/dbraw/zinc/02/11/10/1167021110.db2.gz	MBNJHGOGWGEEFD-LPBBDHJYSA-N	-1	0	316.325	0.133	20	30		DCEDRM
N#CCC1CN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)C1	ZINC001592673623	1167597066	/nfs/dbraw/zinc/59/70/66/1167597066.db2.gz	IERBHNXWEADBFE-UHFFFAOYSA-N	-1	0	310.364	0.462	20	30		DCEDRM
N#Cc1nc(NC(=O)c2scnc2Cl)[n-]c1-c1nn[nH]n1	ZINC001592681346	1167599280	/nfs/dbraw/zinc/59/92/80/1167599280.db2.gz	BRDQCHJGFXAZCK-UHFFFAOYSA-N	-1	0	321.713	0.824	20	30		DCEDRM
N#CCOc1cccc(CNc2ccnc(-c3nnn[n-]3)n2)c1	ZINC001592680462	1167599869	/nfs/dbraw/zinc/59/98/69/1167599869.db2.gz	OHDNFMJZJGDXFJ-UHFFFAOYSA-N	-1	0	308.305	0.593	20	30		DCEDRM
N#Cc1ncc(NCCNc2ccccn2)nc1-c1nnn[n-]1	ZINC001592710602	1167610341	/nfs/dbraw/zinc/61/03/41/1167610341.db2.gz	QDEYUCRWCQFHJP-UHFFFAOYSA-N	-1	0	308.309	0.447	20	30		DCEDRM
Cc1c(NC(=O)[C@@H](O)c2ccc(C#N)cc2)cnn1CC(=O)[O-]	ZINC001600031626	1168105182	/nfs/dbraw/zinc/10/51/82/1168105182.db2.gz	ZJXMHFYHFPPLTK-AWEZNQCLSA-N	-1	0	314.301	0.820	20	30		DCEDRM
Cc1cc(=O)c(C(=O)N(CC#N)CCC(=O)[O-])cn1C1CC1	ZINC001600066286	1168110875	/nfs/dbraw/zinc/11/08/75/1168110875.db2.gz	AFHDQEFCXQMFCS-UHFFFAOYSA-N	-1	0	303.318	0.932	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001600075933	1168112566	/nfs/dbraw/zinc/11/25/66/1168112566.db2.gz	FPKCTIFKRDAQMB-WCQYABFASA-N	-1	0	324.358	0.465	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001600327690	1168165225	/nfs/dbraw/zinc/16/52/25/1168165225.db2.gz	AZIPUBCTPHDDSV-DGCLKSJQSA-N	-1	0	324.358	0.635	20	30		DCEDRM
Cc1ncc(NC(=O)N2CC[C@](O)(CC#N)C2)cc1C(=O)[O-]	ZINC001600739078	1168270003	/nfs/dbraw/zinc/27/00/03/1168270003.db2.gz	HWZVYJQQYZQGIH-CQSZACIVSA-N	-1	0	304.306	0.971	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1OS(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC001600784275	1168295006	/nfs/dbraw/zinc/29/50/06/1168295006.db2.gz	GUPFIVXNHHUZIV-QMMMGPOBSA-N	-1	0	315.351	0.843	20	30		DCEDRM
Cc1nsc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)c1C#N	ZINC001600819370	1168475322	/nfs/dbraw/zinc/47/53/22/1168475322.db2.gz	AUYLPMJSJPVBHB-MRVPVSSYSA-N	-1	0	322.346	0.585	20	30		DCEDRM
Cn1c([C@@H]2C[C@H]2C#N)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001600910785	1168503684	/nfs/dbraw/zinc/50/36/84/1168503684.db2.gz	OKSSJFKKYWQZOT-WHOHXGKFSA-N	-1	0	301.350	0.989	20	30		DCEDRM
Cn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1C1(C#N)CCOCC1	ZINC001600920809	1168508699	/nfs/dbraw/zinc/50/86/99/1168508699.db2.gz	OAGXGHFLUMROLI-SNVBAGLBSA-N	-1	0	305.338	0.298	20	30		DCEDRM
Cn1ncc(Br)c1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001601019031	1168566608	/nfs/dbraw/zinc/56/66/08/1168566608.db2.gz	CQWGGUHGEVIPIS-UHFFFAOYSA-N	-1	0	315.127	0.623	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)CCCCc2c[nH]nn2)CC1	ZINC001601049817	1168577824	/nfs/dbraw/zinc/57/78/24/1168577824.db2.gz	WQUCQZMVVFFUKM-UHFFFAOYSA-N	-1	0	305.338	0.734	20	30		DCEDRM
N#C[C@]1(F)CCN(CCCN2C(=O)CS/C2=C\C(=O)[O-])C1	ZINC001601056961	1168578453	/nfs/dbraw/zinc/57/84/53/1168578453.db2.gz	GOJNGBJTQLGNKR-TUOYRWMMSA-N	-1	0	313.354	0.815	20	30		DCEDRM
N#CC1CCC(CNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])CC1	ZINC001601057724	1168578985	/nfs/dbraw/zinc/57/89/85/1168578985.db2.gz	CZIAUVSGGTWJPP-BPCQOVAHSA-N	-1	0	321.377	0.898	20	30		DCEDRM
N#C[C@@H]1CCCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1	ZINC001601059094	1168579253	/nfs/dbraw/zinc/57/92/53/1168579253.db2.gz	BSJDNZGILMJZDX-UNXYVOJBSA-N	-1	0	307.350	0.508	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cnn(CCC(F)(F)F)c1	ZINC001601071498	1168580864	/nfs/dbraw/zinc/58/08/64/1168580864.db2.gz	OWNKLOUFTNXKLZ-UHFFFAOYSA-N	-1	0	304.228	0.886	20	30		DCEDRM
N#CCN(CC(=O)[O-])[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC001601071611	1168580906	/nfs/dbraw/zinc/58/09/06/1168580906.db2.gz	ZWBIVMCFLALXTK-AWEZNQCLSA-N	-1	0	312.329	0.964	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)Nc2ccccc21	ZINC001601071335	1168580942	/nfs/dbraw/zinc/58/09/42/1168580942.db2.gz	ZTCQZOXOHGOKHR-NSHDSACASA-N	-1	0	301.302	0.939	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc(N2CCNC2=O)c1	ZINC001601071588	1168581033	/nfs/dbraw/zinc/58/10/33/1168581033.db2.gz	XVFKBMBIBPZBJL-UHFFFAOYSA-N	-1	0	302.290	0.267	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)Nc2ccccc21	ZINC001601071334	1168581127	/nfs/dbraw/zinc/58/11/27/1168581127.db2.gz	ZTCQZOXOHGOKHR-LLVKDONJSA-N	-1	0	301.302	0.939	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cc2c([nH]c1=O)CCCC2=O	ZINC001601070693	1168581290	/nfs/dbraw/zinc/58/12/90/1168581290.db2.gz	SMBXHLRSWFBSLK-UHFFFAOYSA-N	-1	0	317.301	0.747	20	30		DCEDRM
N#CCOc1cccc(CC(=O)NC2(C(=O)[O-])CCOCC2)c1	ZINC001601073899	1168581524	/nfs/dbraw/zinc/58/15/24/1168581524.db2.gz	DAOBBEBIWZCOIW-UHFFFAOYSA-N	-1	0	318.329	0.881	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccc2c(c1)C(=O)NCCO2	ZINC001601072499	1168581818	/nfs/dbraw/zinc/58/18/18/1168581818.db2.gz	VTQHMMZOSZGUMV-UHFFFAOYSA-N	-1	0	317.301	0.249	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)C(=O)NCc1ccc(F)cc1	ZINC001601072517	1168581889	/nfs/dbraw/zinc/58/18/89/1168581889.db2.gz	RJEOOFNIQBRKEQ-UHFFFAOYSA-N	-1	0	307.281	0.269	20	30		DCEDRM
N#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC001601074432	1168582249	/nfs/dbraw/zinc/58/22/49/1168582249.db2.gz	YCBVIFKAHOVCMT-SNVBAGLBSA-N	-1	0	317.301	0.461	20	30		DCEDRM
N#CC[C@@H]1CC[C@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1	ZINC001601075709	1168582289	/nfs/dbraw/zinc/58/22/89/1168582289.db2.gz	PIOOCBGCENTBBW-SDDRHHMPSA-N	-1	0	307.350	0.508	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)c2ccoc2CC(=O)[O-])C1	ZINC001601074538	1168582340	/nfs/dbraw/zinc/58/23/40/1168582340.db2.gz	DCYGQKCSXNOAGG-NSHDSACASA-N	-1	0	305.334	0.872	20	30		DCEDRM
N#CCc1cccc(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1	ZINC001601078013	1168582836	/nfs/dbraw/zinc/58/28/36/1168582836.db2.gz	NCPZTNHANFCWSY-GXSJLCMTSA-N	-1	0	304.306	0.447	20	30		DCEDRM
N#Cc1ccc(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)cc1O	ZINC001601092146	1168583823	/nfs/dbraw/zinc/58/38/23/1168583823.db2.gz	LIYBRSANVQNMAB-RYUDHWBXSA-N	-1	0	304.302	0.731	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c(F)c1	ZINC001601093045	1168584032	/nfs/dbraw/zinc/58/40/32/1168584032.db2.gz	VVJPSQSAHNDXHF-CYBMUJFWSA-N	-1	0	306.293	0.995	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	ZINC001601089122	1168584093	/nfs/dbraw/zinc/58/40/93/1168584093.db2.gz	PGEWDBCCMLGWTE-NEPJUHHUSA-N	-1	0	312.322	0.980	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c(F)c1	ZINC001601093047	1168584135	/nfs/dbraw/zinc/58/41/35/1168584135.db2.gz	VVJPSQSAHNDXHF-ZDUSSCGKSA-N	-1	0	306.293	0.995	20	30		DCEDRM
N#Cc1cc(NC[C@@H](O)CC(=O)[O-])ncc1Br	ZINC001601090840	1168584233	/nfs/dbraw/zinc/58/42/33/1168584233.db2.gz	WYJSGTAFYXRXAE-ZETCQYMHSA-N	-1	0	300.112	0.963	20	30		DCEDRM
N#Cc1ccc(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)[nH]1	ZINC001601094059	1168584245	/nfs/dbraw/zinc/58/42/45/1168584245.db2.gz	FUQRWKDSFAGREL-NSHDSACASA-N	-1	0	305.290	0.509	20	30		DCEDRM
N#Cc1ccc(CCC(=O)N[C@H](CC2OCCO2)C(=O)[O-])cc1	ZINC001601099574	1168584470	/nfs/dbraw/zinc/58/44/70/1168584470.db2.gz	PRDDWCFQNWOOGS-CYBMUJFWSA-N	-1	0	318.329	0.823	20	30		DCEDRM
N#Cc1ccc(CC(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])cn1	ZINC001601098725	1168584608	/nfs/dbraw/zinc/58/46/08/1168584608.db2.gz	XNTOGLCVIFMPJM-LBPRGKRZSA-N	-1	0	319.317	0.218	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)[C@H]2CCCS2(=O)=O)C(=O)[O-])cc1	ZINC001601095774	1168584945	/nfs/dbraw/zinc/58/49/45/1168584945.db2.gz	BZPLQQZPECDUEB-NEPJUHHUSA-N	-1	0	323.326	0.804	20	30		DCEDRM
N#Cc1ccc(CSCC(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1	ZINC001601103227	1168585116	/nfs/dbraw/zinc/58/51/16/1168585116.db2.gz	JQSWBLXPUWYHCR-HNNXBMFYSA-N	-1	0	320.370	0.839	20	30		DCEDRM
N#Cc1ccc(Cl)cc1NC(=O)CN[C@]1(C(=O)[O-])CCOC1	ZINC001601103841	1168585729	/nfs/dbraw/zinc/58/57/29/1168585729.db2.gz	QMFFNHUHXJUIHW-CQSZACIVSA-N	-1	0	323.736	0.983	20	30		DCEDRM
N#Cc1cccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c1	ZINC001601120980	1168587297	/nfs/dbraw/zinc/58/72/97/1168587297.db2.gz	WMKWHNAVBRAKAY-LBPRGKRZSA-N	-1	0	301.302	0.820	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)c2ccc3nnnn3c2)C(=O)[O-])c1	ZINC001601117702	1168587848	/nfs/dbraw/zinc/58/78/48/1168587848.db2.gz	OHPUMZWATPFQPC-CYBMUJFWSA-N	-1	0	323.268	0.979	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])c1	ZINC001601122226	1168588198	/nfs/dbraw/zinc/58/81/98/1168588198.db2.gz	HYXXFFXUEBTJNE-GFCCVEGCSA-N	-1	0	301.302	0.962	20	30		DCEDRM
N#Cc1ccccc1/C=C\C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001601126005	1168589336	/nfs/dbraw/zinc/58/93/36/1168589336.db2.gz	MCPHSWNYOFRZPF-MEWZEZIVSA-N	-1	0	300.314	0.865	20	30		DCEDRM
N#Cc1cncc(NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCC2)n1	ZINC001601131025	1168590706	/nfs/dbraw/zinc/59/07/06/1168590706.db2.gz	RTAVESWYXDPVOP-GHMZBOCLSA-N	-1	0	315.333	0.520	20	30		DCEDRM
N#Cc1ccsc1NC(=O)COC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001601129499	1168590876	/nfs/dbraw/zinc/59/08/76/1168590876.db2.gz	HOALFJZXCQPHQJ-DTWKUNHWSA-N	-1	0	324.314	0.734	20	30		DCEDRM
N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c(F)c1	ZINC001601131108	1168591524	/nfs/dbraw/zinc/59/15/24/1168591524.db2.gz	ZRXPZUAKFMQSID-XWLWVQCSSA-N	-1	0	318.308	0.872	20	30		DCEDRM
N#Cc1cncc(NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1	ZINC001601130455	1168591651	/nfs/dbraw/zinc/59/16/51/1168591651.db2.gz	HPDQQTXQATUXJF-NXEZZACHSA-N	-1	0	301.306	0.130	20	30		DCEDRM
N#Cc1cncn(CC(=O)NC2(C(=O)[O-])CCCCC2)c1=O	ZINC001601131607	1168591667	/nfs/dbraw/zinc/59/16/67/1168591667.db2.gz	IIZFDUHSFHEUGP-UHFFFAOYSA-N	-1	0	304.306	0.019	20	30		DCEDRM
N#Cc1cnccc1N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001601131810	1168592549	/nfs/dbraw/zinc/59/25/49/1168592549.db2.gz	RXLHUWISSZYDJU-USZNOCQGSA-N	-1	0	300.318	0.155	20	30		DCEDRM
O=C([O-])[C@H](CO)NC(=O)C#Cc1ccc(C(F)(F)F)cc1	ZINC001601224404	1168666091	/nfs/dbraw/zinc/66/60/91/1168666091.db2.gz	UNRCAIQTWDGBFL-JTQLQIEISA-N	-1	0	301.220	0.619	20	30		DCEDRM
O=C([O-])c1ncoc1CNC(=O)C#Cc1ccc2c(c1)OCO2	ZINC001601223169	1168666961	/nfs/dbraw/zinc/66/69/61/1168666961.db2.gz	DIHZVTNSHTZBAF-UHFFFAOYSA-N	-1	0	314.253	0.769	20	30		DCEDRM
O=C([O-])[C@@H]1CN(c2nnnn2CC#Cc2ccccc2)CCO1	ZINC001601851224	1168914819	/nfs/dbraw/zinc/91/48/19/1168914819.db2.gz	TZHWGZWOVIIRTP-ZDUSSCGKSA-N	-1	0	313.317	0.015	20	30		DCEDRM
O=C([O-])c1nccc(NC[C@H]2CCCN2C(=O)C#CC2CC2)n1	ZINC001602575473	1169123655	/nfs/dbraw/zinc/12/36/55/1169123655.db2.gz	YNFGYDBTTFZPSH-GFCCVEGCSA-N	-1	0	314.345	0.413	20	30		DCEDRM
O=C([O-])C1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1	ZINC001602631189	1169135687	/nfs/dbraw/zinc/13/56/87/1169135687.db2.gz	IVYRINMHQLQGNR-YPKPFQOOSA-N	-1	0	321.333	0.226	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC001602681561	1169157047	/nfs/dbraw/zinc/15/70/47/1169157047.db2.gz	OCFUXKYATJMCQO-SECBINFHSA-N	-1	0	313.306	0.547	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1	ZINC001602676536	1169157372	/nfs/dbraw/zinc/15/73/72/1169157372.db2.gz	AGZOJVYLSOHNCF-UONOGXRCSA-N	-1	0	320.389	0.962	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC001602683687	1169158324	/nfs/dbraw/zinc/15/83/24/1169158324.db2.gz	SSXIGNIZDWNISG-JTQLQIEISA-N	-1	0	317.750	0.701	20	30		DCEDRM
C#CCCCC(=O)NC[C@H](C)N(C)c1ncc(C(=O)[O-])cn1	ZINC001602701771	1169166818	/nfs/dbraw/zinc/16/68/18/1169166818.db2.gz	WKLJIHOQSFQLJD-NSHDSACASA-N	-1	0	304.350	0.919	20	30		DCEDRM
C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cc1	ZINC001602739806	1169176808	/nfs/dbraw/zinc/17/68/08/1169176808.db2.gz	NQTWWPPSXVKLGP-UONOGXRCSA-N	-1	0	312.325	0.329	20	30		DCEDRM
C=C(C)CN(CC)C(=O)CN1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001602761851	1169181711	/nfs/dbraw/zinc/18/17/11/1169181711.db2.gz	GXOAFDGVRLVRIG-UHFFFAOYSA-N	-1	0	306.366	0.891	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O	ZINC001602815662	1169186818	/nfs/dbraw/zinc/18/68/18/1169186818.db2.gz	CBCLAWFWTSPBRV-GBIKHYSHSA-N	-1	0	303.380	0.593	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001602804094	1169186918	/nfs/dbraw/zinc/18/69/18/1169186918.db2.gz	LOLBSEITORMWAC-GFCCVEGCSA-N	-1	0	319.317	0.992	20	30		DCEDRM
C=C[C@H](OC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)[O-]	ZINC001602827383	1169189988	/nfs/dbraw/zinc/18/99/88/1169189988.db2.gz	LREFYLBIGRBQGM-MXWKQRLJSA-N	-1	0	309.318	0.734	20	30		DCEDRM
C=C[C@H](OC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)[O-]	ZINC001602827374	1169190070	/nfs/dbraw/zinc/19/00/70/1169190070.db2.gz	LREFYLBIGRBQGM-AXFHLTTASA-N	-1	0	309.318	0.734	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC001602843232	1169192526	/nfs/dbraw/zinc/19/25/26/1169192526.db2.gz	XISLLXRDNGANIB-LLVKDONJSA-N	-1	0	306.318	0.685	20	30		DCEDRM
C=CCN1CC[C@H](Oc2ccc(F)nc2-c2nnn[n-]2)C1=O	ZINC001602862295	1169194440	/nfs/dbraw/zinc/19/44/40/1169194440.db2.gz	HXTDCCUHNMJXMQ-VIFPVBQESA-N	-1	0	304.285	0.567	20	30		DCEDRM
C=CCN1CC[C@H](OC(=O)c2ccnc(-c3nn[nH]n3)c2)C1=O	ZINC001602862531	1169194795	/nfs/dbraw/zinc/19/47/95/1169194795.db2.gz	JFDOXESWLRTTSB-NSHDSACASA-N	-1	0	314.305	0.205	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)[O-]	ZINC001602865822	1169196343	/nfs/dbraw/zinc/19/63/43/1169196343.db2.gz	RNROFHFDOIDCSJ-LLVKDONJSA-N	-1	0	318.395	0.338	20	30		DCEDRM
C=CCN(C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)[C@@H](C)COC	ZINC001602886938	1169198013	/nfs/dbraw/zinc/19/80/13/1169198013.db2.gz	DENRYBHLJJIGNW-JTQLQIEISA-N	-1	0	323.349	0.711	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001602881123	1169198212	/nfs/dbraw/zinc/19/82/12/1169198212.db2.gz	JKCDQAYMOKMNSW-IJLUTSLNSA-N	-1	0	313.350	0.832	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001602906299	1169201724	/nfs/dbraw/zinc/20/17/24/1169201724.db2.gz	DEZXUPRYTNLRPK-NSHDSACASA-N	-1	0	320.349	0.202	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(C(=O)[O-])co1	ZINC001602902223	1169202223	/nfs/dbraw/zinc/20/22/23/1169202223.db2.gz	ULOCGINCQXAZBR-ZETCQYMHSA-N	-1	0	310.262	0.535	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ncc2c(F)cccn21)C(=O)[O-]	ZINC001602913030	1169203428	/nfs/dbraw/zinc/20/34/28/1169203428.db2.gz	GUIZGAZDLJGNRB-JTQLQIEISA-N	-1	0	307.281	0.859	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccncc1)C(=O)[O-]	ZINC001602909377	1169203548	/nfs/dbraw/zinc/20/35/48/1169203548.db2.gz	UACRMJFECGHBGJ-MCIONIFRSA-N	-1	0	320.345	0.931	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc([S@](C)=O)cc1)C(=O)[O-]	ZINC001602913507	1169204089	/nfs/dbraw/zinc/20/40/89/1169204089.db2.gz	SVAVYCXJKNIZCY-QKVFXAPYSA-N	-1	0	311.359	0.810	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1nnc(-c2ccco2)o1)C(=O)[O-]	ZINC001602915002	1169204443	/nfs/dbraw/zinc/20/44/43/1169204443.db2.gz	NOXXUZCEOPJHHQ-QMMMGPOBSA-N	-1	0	307.262	0.715	20	30		DCEDRM
C=CCOC[C@@H](NCc1nc(Br)c[nH]1)C(=O)[O-]	ZINC001602915094	1169204788	/nfs/dbraw/zinc/20/47/88/1169204788.db2.gz	PJNRTDXVUWSHTL-SSDOTTSWSA-N	-1	0	304.144	0.918	20	30		DCEDRM
C=CCn1c([C@H]2COCCO2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001602932092	1169210920	/nfs/dbraw/zinc/21/09/20/1169210920.db2.gz	JNCCDRLVQPVEDD-IJLUTSLNSA-N	-1	0	322.365	0.709	20	30		DCEDRM
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001602933250	1169211282	/nfs/dbraw/zinc/21/12/82/1169211282.db2.gz	XCSNKHRICAGMDD-ABAIWWIYSA-N	-1	0	322.365	0.648	20	30		DCEDRM
C=CCn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1C(C)(F)F	ZINC001602937280	1169212850	/nfs/dbraw/zinc/21/28/50/1169212850.db2.gz	TXPLSUMGPHXRIV-QMMMGPOBSA-N	-1	0	302.281	0.866	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])nn1	ZINC001602938239	1169212922	/nfs/dbraw/zinc/21/29/22/1169212922.db2.gz	ZAQCVEGKEFHYGN-LLVKDONJSA-N	-1	0	316.317	0.595	20	30		DCEDRM
C=CCn1c(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)nnc1C1(OC)CC1	ZINC001602936931	1169213010	/nfs/dbraw/zinc/21/30/10/1169213010.db2.gz	JNIMLMFEMDFFRK-MNOVXSKESA-N	-1	0	322.365	0.778	20	30		DCEDRM
C=CCn1nnnc1S[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001602940157	1169214044	/nfs/dbraw/zinc/21/40/44/1169214044.db2.gz	JPYHFQDHJUKXFO-VIFPVBQESA-N	-1	0	311.367	0.417	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001602942152	1169214737	/nfs/dbraw/zinc/21/47/37/1169214737.db2.gz	ROTXLGQNZSHHLS-WFGGJUAMSA-N	-1	0	324.377	0.710	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1CCC(C(=O)[O-])CC1	ZINC001602941765	1169214976	/nfs/dbraw/zinc/21/49/76/1169214976.db2.gz	DYGDPJIPSAQGGZ-RYUDHWBXSA-N	-1	0	307.354	0.565	20	30		DCEDRM
C/C(=C/C(=O)[O-])CN1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC001602957016	1169220187	/nfs/dbraw/zinc/22/01/87/1169220187.db2.gz	CFDSMECKTBCWTO-RDQDRAATSA-N	-1	0	301.350	0.890	20	30		DCEDRM
C[C@@H](C#N)C(=O)NCCCN(C)c1ccc(-c2nn[nH]n2)cn1	ZINC001602983083	1169224729	/nfs/dbraw/zinc/22/47/29/1169224729.db2.gz	DYVBDLQNVXBJJH-JTQLQIEISA-N	-1	0	314.353	0.364	20	30		DCEDRM
C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001603442386	1169305850	/nfs/dbraw/zinc/30/58/50/1169305850.db2.gz	KDRHQYVCFWCTLB-ZETCQYMHSA-N	-1	0	317.284	0.363	20	30		DCEDRM
C[C@@H](CC[S@@](C)=O)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001603498943	1169313037	/nfs/dbraw/zinc/31/30/37/1169313037.db2.gz	FQCRJCYCVDMYEU-MWAODPMSSA-N	-1	0	306.355	0.097	20	30		DCEDRM
C[C@H](CC[S@@](C)=O)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001603498946	1169314342	/nfs/dbraw/zinc/31/43/42/1169314342.db2.gz	FQCRJCYCVDMYEU-WODJRTHDSA-N	-1	0	306.355	0.097	20	30		DCEDRM
C[C@]1(C#N)CCN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)C1	ZINC001603738308	1169373713	/nfs/dbraw/zinc/37/37/13/1169373713.db2.gz	ZKGFVWWNUPTPPL-LLVKDONJSA-N	-1	0	324.391	0.852	20	30		DCEDRM
C[C@]1(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)CCCCO1	ZINC001603807843	1169400531	/nfs/dbraw/zinc/40/05/31/1169400531.db2.gz	PHZXIKZPVRQVNW-CYBMUJFWSA-N	-1	0	300.326	0.899	20	30		DCEDRM
CC[C@@H](C#N)N(CC)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001603977604	1169461640	/nfs/dbraw/zinc/46/16/40/1169461640.db2.gz	DBLSONZBCIYIRD-BDAKNGLRSA-N	-1	0	303.330	0.170	20	30		DCEDRM
C[C@H](C(=O)[O-])N(C1CCC1)S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC001604061324	1169483806	/nfs/dbraw/zinc/48/38/06/1169483806.db2.gz	RYZAAMMFTRZOPN-VHSXEESVSA-N	-1	0	303.384	0.793	20	30		DCEDRM
CC[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H](C)O1	ZINC001604112704	1169495413	/nfs/dbraw/zinc/49/54/13/1169495413.db2.gz	YWLWVMIVYVZJJP-DTWKUNHWSA-N	-1	0	300.326	0.532	20	30		DCEDRM
C[C@@H](C(=O)N(CC#N)CC(=O)[O-])[C@H](C)NC(=O)OC(C)(C)C	ZINC001604300847	1169550845	/nfs/dbraw/zinc/55/08/45/1169550845.db2.gz	NIBWPOXUGQASRM-ZJUUUORDSA-N	-1	0	313.354	0.972	20	30		DCEDRM
C[C@]1(C#N)CCN(CN2C(=O)N[C@@](C)(CCC(=O)[O-])C2=O)C1	ZINC001604483739	1169599920	/nfs/dbraw/zinc/59/99/20/1169599920.db2.gz	WJRXRZAPDQLKEQ-KGLIPLIRSA-N	-1	0	308.338	0.355	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C1	ZINC001604489620	1169603486	/nfs/dbraw/zinc/60/34/86/1169603486.db2.gz	IQTFBAVJNLMCBM-KGLIPLIRSA-N	-1	0	311.313	0.164	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1	ZINC001604489623	1169603669	/nfs/dbraw/zinc/60/36/69/1169603669.db2.gz	IQTFBAVJNLMCBM-ZIAGYGMSSA-N	-1	0	311.313	0.164	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC001604498327	1169604984	/nfs/dbraw/zinc/60/49/84/1169604984.db2.gz	SPFLWHCJRUOMTN-LHNRBYRGSA-N	-1	0	321.333	0.226	20	30		DCEDRM
C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	ZINC001604734078	1169664453	/nfs/dbraw/zinc/66/44/53/1169664453.db2.gz	LMDMRXKCBNPEIK-GFCCVEGCSA-N	-1	0	321.377	0.852	20	30		DCEDRM
C[C@@H]1CN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C[C@H](C)N1CC#N	ZINC001604775224	1169677384	/nfs/dbraw/zinc/67/73/84/1169677384.db2.gz	GBFMEIYSYAELEO-CRQFQMBKSA-N	-1	0	320.393	0.867	20	30		DCEDRM
C[C@@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C[C@@H](C)N1CC#N	ZINC001604774987	1169678184	/nfs/dbraw/zinc/67/81/84/1169678184.db2.gz	DJBOPJRTMXJOLO-FDYHWXHSSA-N	-1	0	324.381	0.104	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2csc(C(=O)[O-])n2)C[C@H](C)N1CC#N	ZINC001604782779	1169679655	/nfs/dbraw/zinc/67/96/55/1169679655.db2.gz	GCAILLIZQMVUMF-DTORHVGOSA-N	-1	0	308.363	0.900	20	30		DCEDRM
CCC(C#N)(CC)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001604864390	1169720061	/nfs/dbraw/zinc/72/00/61/1169720061.db2.gz	DKNDICVXJIJOGA-INIZCTEOSA-N	-1	0	323.393	0.704	20	30		DCEDRM
COCCO[N-]C(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1	ZINC001605113311	1169831087	/nfs/dbraw/zinc/83/10/87/1169831087.db2.gz	OAHMWHDOIKFSTE-LBPRGKRZSA-N	-1	0	316.321	0.243	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)CN[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC001605417813	1169916312	/nfs/dbraw/zinc/91/63/12/1169916312.db2.gz	IPTFFHTTXZDVTL-DOMZBBRYSA-N	-1	0	321.381	0.324	20	30		DCEDRM
CCOC(Cn1cc(C(=O)N(CC#N)CC(=O)[O-])cn1)OCC	ZINC001605594004	1169968307	/nfs/dbraw/zinc/96/83/07/1169968307.db2.gz	SQHIUFCWFXFZGX-UHFFFAOYSA-N	-1	0	324.337	0.333	20	30		DCEDRM
Cn1c(Cl)ncc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001606214572	1170118311	/nfs/dbraw/zinc/11/83/11/1170118311.db2.gz	RZKDQOQZGDOIDT-UHFFFAOYSA-N	-1	0	318.688	0.101	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)NCc2nc(-c3nn[nH]n3)cs2)C1	ZINC001606344569	1170163380	/nfs/dbraw/zinc/16/33/80/1170163380.db2.gz	NJSJEOBPZWTIBN-LLVKDONJSA-N	-1	0	322.329	0.470	20	30		DCEDRM
N#Cc1nc(NC(=O)CCc2cncs2)[n-]c1-c1nn[nH]n1	ZINC001606355469	1170169601	/nfs/dbraw/zinc/16/96/01/1170169601.db2.gz	CRBJMFQKVJGEIE-UHFFFAOYSA-N	-1	0	315.322	0.489	20	30		DCEDRM
COC(=O)[C@@]1(O)CCN(Cc2cccc(C(=O)[O-])c2C#N)C1	ZINC001606357767	1170169623	/nfs/dbraw/zinc/16/96/23/1170169623.db2.gz	RWWBJOYCYORLEJ-OAHLLOKOSA-N	-1	0	304.302	0.366	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(C#N)[nH]c1C	ZINC001606383365	1170175999	/nfs/dbraw/zinc/17/59/99/1170175999.db2.gz	DXNKRDWKSPZCLR-BXKDBHETSA-N	-1	0	319.317	0.673	20	30		DCEDRM
N#Cc1ncc(NCCO[C@@H]2CCCCO2)nc1-c1nnn[n-]1	ZINC001606398039	1170183521	/nfs/dbraw/zinc/18/35/21/1170183521.db2.gz	IQPDMTGPIFMBDT-LLVKDONJSA-N	-1	0	316.325	0.483	20	30		DCEDRM
N#Cc1ncc(N(C[C@@H]2CCOC2)C2CC2)nc1-c1nnn[n-]1	ZINC001606397773	1170183767	/nfs/dbraw/zinc/18/37/67/1170183767.db2.gz	ZUVMKCMSLGAZKI-VIFPVBQESA-N	-1	0	312.337	0.534	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2cc(C#N)[nH]c2C)C[C@H]1C(=O)[O-]	ZINC001606418964	1170193105	/nfs/dbraw/zinc/19/31/05/1170193105.db2.gz	CLKWNMAPZPUXON-GHMZBOCLSA-N	-1	0	305.290	0.141	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)Nc2cccc(C#N)n2)C[C@H]1C(=O)[O-]	ZINC001606421806	1170194282	/nfs/dbraw/zinc/19/42/82/1170194282.db2.gz	LGYRQTUSJPRKQK-NXEZZACHSA-N	-1	0	318.289	0.291	20	30		DCEDRM
CO[C@@H](C)c1noc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)n1	ZINC001606665577	1170256434	/nfs/dbraw/zinc/25/64/34/1170256434.db2.gz	RETGKILWQVDNAT-ZETCQYMHSA-N	-1	0	304.262	0.557	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001606885127	1170322942	/nfs/dbraw/zinc/32/29/42/1170322942.db2.gz	LMSIHTKZLCRYHL-UHFFFAOYSA-N	-1	0	316.335	0.837	20	30		DCEDRM
COc1ccc2c(c1)OC[C@H]2CC(=O)N(CC#N)CC(=O)[O-]	ZINC001607298415	1170424648	/nfs/dbraw/zinc/42/46/48/1170424648.db2.gz	FSPWQSSZMCZMTP-SNVBAGLBSA-N	-1	0	304.302	0.998	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)NCC1(C#N)CCCC1)C(=O)[O-]	ZINC001607459192	1170459195	/nfs/dbraw/zinc/45/91/95/1170459195.db2.gz	LTUWQWXCMRBZHJ-UWVGGRQHSA-N	-1	0	310.354	0.347	20	30		DCEDRM
Cc1c(NC(=O)NCC#CCO)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC001607543112	1170474838	/nfs/dbraw/zinc/47/48/38/1170474838.db2.gz	UQDTXUMCZHOQMI-UHFFFAOYSA-N	-1	0	307.262	0.719	20	30		DCEDRM
Cc1cc(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n(C)n1	ZINC001607642705	1170488877	/nfs/dbraw/zinc/48/88/77/1170488877.db2.gz	ZICYCYHSMBNXQI-UHFFFAOYSA-N	-1	0	305.338	0.629	20	30		DCEDRM
Cc1cc(COCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)no1	ZINC001607650648	1170490079	/nfs/dbraw/zinc/49/00/79/1170490079.db2.gz	CJCDUAQJQFGOMT-UHFFFAOYSA-N	-1	0	307.306	0.717	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])ccc1C#N	ZINC001607704478	1170498124	/nfs/dbraw/zinc/49/81/24/1170498124.db2.gz	UVGOBXAIPFIINA-STQMWFEESA-N	-1	0	324.358	0.465	20	30		DCEDRM
Cc1ccc(C#N)c(NCCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1	ZINC001607724189	1170500610	/nfs/dbraw/zinc/50/06/10/1170500610.db2.gz	GGMLLXRXKCOJKJ-NWDGAFQWSA-N	-1	0	302.334	0.901	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCO[C@](C)(C#N)C2)c1C(=O)[O-]	ZINC001607862016	1170513944	/nfs/dbraw/zinc/51/39/44/1170513944.db2.gz	KXNHHYOEYPQQAV-CQSZACIVSA-N	-1	0	324.358	0.996	20	30		DCEDRM
Cc1cn(CC(=O)N(CC#N)CC(=O)[O-])nc1C(F)(F)F	ZINC001607900295	1170519352	/nfs/dbraw/zinc/51/93/52/1170519352.db2.gz	GURXYRVMGQSWMO-UHFFFAOYSA-N	-1	0	304.228	0.647	20	30		DCEDRM
Cc1noc2ncc(S(=O)(=O)N(CC#N)CCC(=O)[O-])cc12	ZINC001608029288	1170552995	/nfs/dbraw/zinc/55/29/95/1170552995.db2.gz	NXLSVDOXVVQYBY-UHFFFAOYSA-N	-1	0	324.318	0.520	20	30		DCEDRM
N#C[C@@H](CCc1ccccc1)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	ZINC001608169770	1170608106	/nfs/dbraw/zinc/60/81/06/1170608106.db2.gz	CKZMMLWCAZQYEG-IOASZLSFSA-N	-1	0	302.330	0.853	20	30		DCEDRM
N#CC[C@@]1(O)CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1	ZINC001608182070	1170611619	/nfs/dbraw/zinc/61/16/19/1170611619.db2.gz	SFMSTTDZBAVCRE-CQSZACIVSA-N	-1	0	324.358	0.353	20	30		DCEDRM
N#CCCN(C(=O)CN1C[C@@H](O)C[C@H]1C(=O)[O-])c1ccccc1	ZINC001608182485	1170611635	/nfs/dbraw/zinc/61/16/35/1170611635.db2.gz	AFSKAWYMROOYOJ-KBPBESRZSA-N	-1	0	317.345	0.453	20	30		DCEDRM
N#CCCCCS(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC001608181673	1170611733	/nfs/dbraw/zinc/61/17/33/1170611733.db2.gz	PIPIMDXHOFPBGN-QWRGUYRKSA-N	-1	0	304.368	0.622	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c2cccc(F)c21	ZINC001608183049	1170611877	/nfs/dbraw/zinc/61/18/77/1170611877.db2.gz	AIWZJBRKCXQIFP-UHFFFAOYSA-N	-1	0	311.294	0.906	20	30		DCEDRM
N#CCOc1cccc(CNC(=O)Cn2cc(C(=O)[O-])cn2)c1	ZINC001608187343	1170612823	/nfs/dbraw/zinc/61/28/23/1170612823.db2.gz	UIYWZUBHEGCKNP-UHFFFAOYSA-N	-1	0	314.301	0.800	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1	ZINC001608195231	1170613604	/nfs/dbraw/zinc/61/36/04/1170613604.db2.gz	JGPPIGDBAFIVIJ-SECBINFHSA-N	-1	0	300.278	0.263	20	30		DCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])c1	ZINC001608196540	1170613576	/nfs/dbraw/zinc/61/35/76/1170613576.db2.gz	AJCNDGLDLBJKMA-SNVBAGLBSA-N	-1	0	304.274	0.788	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC(CO)CC2)c(C(=O)[O-])c1	ZINC001608209500	1170615651	/nfs/dbraw/zinc/61/56/51/1170615651.db2.gz	HSYDQZRLMYPTSO-UHFFFAOYSA-N	-1	0	324.358	0.649	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCc2ncc[nH]2)c(C(=O)[O-])c1	ZINC001608211581	1170615748	/nfs/dbraw/zinc/61/57/48/1170615748.db2.gz	AJCBQWPQOVLRRA-UHFFFAOYSA-N	-1	0	306.303	0.458	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)c(F)c1	ZINC001608207819	1170615769	/nfs/dbraw/zinc/61/57/69/1170615769.db2.gz	SYPVMEIRZNVHIF-UHFFFAOYSA-N	-1	0	324.293	0.597	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCCCCO)c(C(=O)[O-])c1	ZINC001608211831	1170616014	/nfs/dbraw/zinc/61/60/14/1170616014.db2.gz	KVIPLLMSBOMDOY-UHFFFAOYSA-N	-1	0	312.347	0.697	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC(F)(F)C(=O)[O-])cc1F	ZINC001608211967	1170616146	/nfs/dbraw/zinc/61/61/46/1170616146.db2.gz	PNPLETNQSBULFM-UHFFFAOYSA-N	-1	0	308.237	0.696	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)c(C(=O)[O-])c1	ZINC001608211580	1170616264	/nfs/dbraw/zinc/61/62/64/1170616264.db2.gz	AHNZEHFXXSREQW-JTQLQIEISA-N	-1	0	310.331	0.714	20	30		DCEDRM
N#Cc1cccc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1	ZINC001608217040	1170616971	/nfs/dbraw/zinc/61/69/71/1170616971.db2.gz	IVQGFOXIQPSZMV-OAHLLOKOSA-N	-1	0	317.301	0.247	20	30		DCEDRM
N#Cc1cnn2cc(CN3CCO[C@H](CC(=O)[O-])C3)cnc12	ZINC001608221966	1170618211	/nfs/dbraw/zinc/61/82/11/1170618211.db2.gz	CPNNUJJDODNJSW-GFCCVEGCSA-N	-1	0	301.306	0.276	20	30		DCEDRM
N#Cc1ccncc1N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001608220491	1170618492	/nfs/dbraw/zinc/61/84/92/1170618492.db2.gz	AFQYPHSILWNGIP-NWDGAFQWSA-N	-1	0	300.318	0.323	20	30		DCEDRM
N#Cc1ccccc1/C=C\C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC001608220782	1170618690	/nfs/dbraw/zinc/61/86/90/1170618690.db2.gz	IZVZYHVFYRWSRQ-SZZPACECSA-N	-1	0	313.313	0.373	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCC[C@H](CNC(N)=O)C1	ZINC001608223601	1170619362	/nfs/dbraw/zinc/61/93/62/1170619362.db2.gz	GFCGDWOBFGJKBN-SECBINFHSA-N	-1	0	303.322	0.536	20	30		DCEDRM
O=C([O-])[C@H]1C[C@H](O)CN(C(=O)NCC#Cc2ccccc2)C1	ZINC001608603468	1170714630	/nfs/dbraw/zinc/71/46/30/1170714630.db2.gz	XVRJUMVZIKHEGY-KBPBESRZSA-N	-1	0	302.330	0.515	20	30		DCEDRM
O=C([O-])C[C@@]1(NC(=O)C#Cc2ccc3c(c2)OCO3)CCOC1	ZINC001608681743	1170735522	/nfs/dbraw/zinc/73/55/22/1170735522.db2.gz	LGIIGZCFECLMMN-INIZCTEOSA-N	-1	0	317.297	0.517	20	30		DCEDRM
C=CCCC[C@H](C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001609053169	1170793676	/nfs/dbraw/zinc/79/36/76/1170793676.db2.gz	BEAFYGZVGCQSRS-JTQLQIEISA-N	-1	0	319.373	0.502	20	30		DCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001609054226	1170793733	/nfs/dbraw/zinc/79/37/33/1170793733.db2.gz	BWDCNRXOHFHTKE-QMMMGPOBSA-N	-1	0	312.303	0.935	20	30		DCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001609054659	1170794154	/nfs/dbraw/zinc/79/41/54/1170794154.db2.gz	OWYKBMAVQRUZAP-SSDOTTSWSA-N	-1	0	304.258	0.190	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001609058289	1170795022	/nfs/dbraw/zinc/79/50/22/1170795022.db2.gz	VFMOWZMRQSOIPW-LLVKDONJSA-N	-1	0	304.258	0.767	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC001609079049	1170801552	/nfs/dbraw/zinc/80/15/52/1170801552.db2.gz	VDWREVYFCMYYOF-SKDRFNHKSA-N	-1	0	314.297	0.264	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1	ZINC001609152907	1170828066	/nfs/dbraw/zinc/82/80/66/1170828066.db2.gz	LPJSLRUSNJQQMG-UHFFFAOYSA-N	-1	0	321.354	0.788	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001609290391	1170915635	/nfs/dbraw/zinc/91/56/35/1170915635.db2.gz	FNJGLPNNPJZHQU-NSHDSACASA-N	-1	0	322.317	0.142	20	30		DCEDRM
COC(=O)c1ccccc1CCn1cnc(-c2nnn[n-]2)c1C#N	ZINC001609305571	1170925367	/nfs/dbraw/zinc/92/53/67/1170925367.db2.gz	OHSIVDFFQKDFSU-UHFFFAOYSA-N	-1	0	323.316	0.964	20	30		DCEDRM
C=CCCOCCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001609345831	1170947733	/nfs/dbraw/zinc/94/77/33/1170947733.db2.gz	HRNMLVDRVMQBEL-SWLSCSKDSA-N	-1	0	312.366	0.712	20	30		DCEDRM
Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NCC#N	ZINC001609378136	1170956525	/nfs/dbraw/zinc/95/65/25/1170956525.db2.gz	LPQJVWNRKYZLRO-UHFFFAOYSA-N	-1	0	301.310	0.157	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc2oc(=O)[nH]c2c1)C(=O)[O-]	ZINC001609443203	1170979195	/nfs/dbraw/zinc/97/91/95/1170979195.db2.gz	UZCMDJNJMPRZFT-JTQLQIEISA-N	-1	0	306.274	0.919	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2c(Cl)cnn2C)o1	ZINC001609446173	1170980435	/nfs/dbraw/zinc/98/04/35/1170980435.db2.gz	PEWVTIIHFAXPPI-UHFFFAOYSA-N	-1	0	307.705	0.996	20	30		DCEDRM
C=CCn1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)nn1	ZINC001609485268	1170995228	/nfs/dbraw/zinc/99/52/28/1170995228.db2.gz	KDQBLIWYBSCNSK-NSHDSACASA-N	-1	0	307.354	0.085	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)nn1	ZINC001609485131	1170995993	/nfs/dbraw/zinc/99/59/93/1170995993.db2.gz	DZKBZPCLVXMLIY-HNNXBMFYSA-N	-1	0	315.333	0.979	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1cn(-c2ccccc2)nn1	ZINC001609496895	1171000419	/nfs/dbraw/zinc/00/04/19/1171000419.db2.gz	MKFGQVXRPVCVQG-UHFFFAOYSA-N	-1	0	318.304	0.564	20	30		DCEDRM
N#Cc1ccc(C(=O)COc2cnc(-c3nnn[n-]3)nc2)cc1	ZINC001609498345	1171000528	/nfs/dbraw/zinc/00/05/28/1171000528.db2.gz	AFFCKWDSWLUZHG-UHFFFAOYSA-N	-1	0	307.273	0.790	20	30		DCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=Nn1cnc2c(cnn2C)c1=O	ZINC001609646042	1171059487	/nfs/dbraw/zinc/05/94/87/1171059487.db2.gz	FXBHJAKJZLVWDH-VIFPVBQESA-N	-1	0	314.305	0.459	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC001609725710	1171075230	/nfs/dbraw/zinc/07/52/30/1171075230.db2.gz	NLRDNQQKJJLKIY-VHSXEESVSA-N	-1	0	321.424	0.357	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC001609814461	1171092649	/nfs/dbraw/zinc/09/26/49/1171092649.db2.gz	LEEIVLDHXMBKBV-HNNXBMFYSA-N	-1	0	316.317	0.605	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(C#N)c1	ZINC001609835582	1171100669	/nfs/dbraw/zinc/10/06/69/1171100669.db2.gz	RHRXROCQNLPSCD-JOYOIKCWSA-N	-1	0	301.302	0.818	20	30		DCEDRM
CN(C)S(=O)(=O)N(CC#N)Cc1ccc(F)cc1C(=O)[O-]	ZINC001610102301	1171157613	/nfs/dbraw/zinc/15/76/13/1171157613.db2.gz	JAMIQRSVWBYAKN-UHFFFAOYSA-N	-1	0	315.326	0.656	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2ccc(C#N)nc2)[C@@H](C(=O)[O-])C1	ZINC001610172172	1171185947	/nfs/dbraw/zinc/18/59/47/1171185947.db2.gz	SCTVRJIZVDMUGL-BXKDBHETSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COCC[C@@](C)(C#N)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001610254083	1171209044	/nfs/dbraw/zinc/20/90/44/1171209044.db2.gz	NXBIHOCDSBDANY-LBPRGKRZSA-N	-1	0	313.335	0.377	20	30		DCEDRM
CON=Cc1ccc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1	ZINC001610277843	1171216446	/nfs/dbraw/zinc/21/64/46/1171216446.db2.gz	SGHZNIKQNLFEQJ-AWEZNQCLSA-N	-1	0	320.345	0.965	20	30		DCEDRM
Cc1cc(C(=O)[O-])nc(NCCNC(=O)C2N=CC=CC2=O)n1	ZINC001610446476	1171236283	/nfs/dbraw/zinc/23/62/83/1171236283.db2.gz	VOZZIAFQWBVVLG-VAWYXSNFSA-N	-1	0	317.305	0.422	20	30		DCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)C(=O)[O-]	ZINC001610570127	1171257241	/nfs/dbraw/zinc/25/72/41/1171257241.db2.gz	AZRJPQPONCPSSJ-NSHDSACASA-N	-1	0	321.333	0.932	20	30		DCEDRM
N#CCNC(=O)CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001610622772	1171271217	/nfs/dbraw/zinc/27/12/17/1171271217.db2.gz	HYNIZYCCWVZEBV-UHFFFAOYSA-N	-1	0	312.232	0.424	20	30		DCEDRM
N#Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c([N+](=O)[O-])c1	ZINC001610628141	1171272515	/nfs/dbraw/zinc/27/25/15/1171272515.db2.gz	PMJDRSQEZASSFT-GFCCVEGCSA-N	-1	0	318.289	0.242	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@@]2(CC(=O)[O-])CCOC2)cc1	ZINC001610628847	1171272615	/nfs/dbraw/zinc/27/26/15/1171272615.db2.gz	HEDSGAREZCMCBH-OAHLLOKOSA-N	-1	0	303.318	0.720	20	30		DCEDRM
N#Cc1cccc([C@@H]2CN(CC(=O)NCCC(=O)[O-])CCO2)c1	ZINC001610631287	1171272998	/nfs/dbraw/zinc/27/29/98/1171272998.db2.gz	ADAXTTPRBXJYLB-AWEZNQCLSA-N	-1	0	317.345	0.522	20	30		DCEDRM
N#CCCN(Cc1ccco1)Cc1cc(=O)n2[n-]c(N)nc2n1	ZINC001615744552	1171374279	/nfs/dbraw/zinc/37/42/79/1171374279.db2.gz	UNQTWECLXFKIFH-UHFFFAOYSA-N	-1	0	313.321	0.509	20	30		DCEDRM
COCCO[C@H]1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001616505879	1171379567	/nfs/dbraw/zinc/37/95/67/1171379567.db2.gz	VOWQAQLLGKQVOE-LBPRGKRZSA-N	-1	0	305.334	0.845	20	30		DCEDRM
CC1(C)C[C@@]1(C#N)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001625422242	1171472388	/nfs/dbraw/zinc/47/23/88/1171472388.db2.gz	NLMAZWAUPJMZMM-AWEZNQCLSA-N	-1	0	301.306	0.019	20	30		DCEDRM
O=C(C#Cc1ccc(C(F)(F)F)cc1)Nn1c(=O)[n-][nH]c1=O	ZINC001628800878	1171536449	/nfs/dbraw/zinc/53/64/49/1171536449.db2.gz	SMSODTUESCFIPD-UHFFFAOYSA-N	-1	0	312.207	0.830	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O	ZINC001635422912	1171701899	/nfs/dbraw/zinc/70/18/99/1171701899.db2.gz	HWWWOVFGWUCNFR-JTQLQIEISA-N	-1	0	315.304	0.968	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)c1cc(S(=O)(=O)CC)c[nH]c1=O	ZINC001639677845	1171845564	/nfs/dbraw/zinc/84/55/64/1171845564.db2.gz	FXLQCHREEPLNFU-MRVPVSSYSA-N	-1	0	300.336	0.817	20	30		DCEDRM
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)c2nnn[n-]2)c1	ZINC001642430374	1171944931	/nfs/dbraw/zinc/94/49/31/1171944931.db2.gz	DVOUATSBAXBWOT-UHFFFAOYSA-N	-1	0	319.346	0.273	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC001642563308	1171949443	/nfs/dbraw/zinc/94/94/43/1171949443.db2.gz	XVZFVPUZMPXPLY-ZDUSSCGKSA-N	-1	0	315.333	0.915	20	30		DCEDRM
N#Cc1c2ccccc2[nH]c1C(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC001643192465	1171969765	/nfs/dbraw/zinc/96/97/65/1171969765.db2.gz	GDELBGMJGZXULD-LBPRGKRZSA-N	-1	0	323.316	0.766	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC(=O)N1	ZINC001645787140	1172141222	/nfs/dbraw/zinc/14/12/22/1172141222.db2.gz	IZBSWIQKHPEDCQ-LLVKDONJSA-N	-1	0	321.358	0.422	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H]2CC2(Cl)Cl)c(=O)[n-]c1=O	ZINC001646148691	1172272654	/nfs/dbraw/zinc/27/26/54/1172272654.db2.gz	UZRJTBROISVBEQ-SSDOTTSWSA-N	-1	0	317.132	0.131	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2COc3ccccc3C2)c(C#N)c1=O	ZINC001646631762	1172448836	/nfs/dbraw/zinc/44/88/36/1172448836.db2.gz	YZOPENIYTQIYNL-SNVBAGLBSA-N	-1	0	312.329	0.608	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2COC(=O)C2)cc1	ZINC001647108987	1172678760	/nfs/dbraw/zinc/67/87/60/1172678760.db2.gz	HWPQNBQKRDOKKK-JTQLQIEISA-N	-1	0	308.315	0.316	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@H](c3nccs3)C2)c(C#N)c1=O	ZINC001647632538	1173008721	/nfs/dbraw/zinc/00/87/21/1173008721.db2.gz	ZDODBPLFBYYKDG-QMMMGPOBSA-N	-1	0	303.347	0.396	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)CC[C@@H]3CCOC3)C2)c(=O)[n-]c1=O	ZINC001649931147	1173317360	/nfs/dbraw/zinc/31/73/60/1173317360.db2.gz	LFSWBJFNJZRMOT-SNVBAGLBSA-N	-1	0	318.333	0.021	20	30		DCEDRM
N#CC1(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CCOCC1	ZINC000071666740	1173831357	/nfs/dbraw/zinc/83/13/57/1173831357.db2.gz	OVNLLJHZQYXXGS-UHFFFAOYSA-N	-1	0	310.331	0.736	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)OCC	ZINC001660991165	1174081546	/nfs/dbraw/zinc/08/15/46/1174081546.db2.gz	DONSWDPOGWYJBY-VXGBXAGGSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C#Cc1cccc(NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001665162647	1174487841	/nfs/dbraw/zinc/48/78/41/1174487841.db2.gz	JWJKGUNPAWSWKT-UHFFFAOYSA-N	-1	0	323.312	0.624	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001666703588	1174626814	/nfs/dbraw/zinc/62/68/14/1174626814.db2.gz	HGGAUEBTSRWMJO-NSHDSACASA-N	-1	0	309.370	0.184	20	30		DCEDRM
C#CCOCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1	ZINC001674126081	1175255604	/nfs/dbraw/zinc/25/56/04/1175255604.db2.gz	AIKNUXFSJKWVAV-NEPJUHHUSA-N	-1	0	321.381	0.019	20	30		DCEDRM
C=CCOCC(=O)N[C@H](C)[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001701120429	1178931176	/nfs/dbraw/zinc/93/11/76/1178931176.db2.gz	VIGQZIBICBNZAT-BDAKNGLRSA-N	-1	0	310.354	0.249	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001701681506	1179118047	/nfs/dbraw/zinc/11/80/47/1179118047.db2.gz	GVGMKASJGOVVCN-MWLCHTKSSA-N	-1	0	324.381	0.233	20	30		DCEDRM
CC[C@@H](CNC(=O)C#CC(C)C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001704641701	1180099519	/nfs/dbraw/zinc/09/95/19/1180099519.db2.gz	ISLJIECXENTGIH-NSHDSACASA-N	-1	0	306.366	0.708	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC/C=C/CNCC#N)cc1=O	ZINC001715843462	1182044710	/nfs/dbraw/zinc/04/47/10/1182044710.db2.gz	QHBVAGGTOWRJLD-ONEGZZNKSA-N	-1	0	305.382	0.160	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@H](CC)[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001732199319	1185733009	/nfs/dbraw/zinc/73/30/09/1185733009.db2.gz	DAVLVERWJXFDDX-NSHDSACASA-N	-1	0	309.414	0.695	20	30		DCEDRM
O=C(C#CC1CC1)NC[C@@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001734099004	1186545526	/nfs/dbraw/zinc/54/55/26/1186545526.db2.gz	GGYBPFDXAIIACZ-ZDUSSCGKSA-N	-1	0	317.393	0.785	20	30		DCEDRM
CC[C@H](CNC(=O)C#CC1CC1)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001738119712	1187479475	/nfs/dbraw/zinc/47/94/75/1187479475.db2.gz	GWYQHPMPFSHKEZ-LLVKDONJSA-N	-1	0	304.350	0.462	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@@H](CC)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001738122474	1187480131	/nfs/dbraw/zinc/48/01/31/1187480131.db2.gz	HHIAULRIIYEBJX-GHMZBOCLSA-N	-1	0	322.365	0.087	20	30		DCEDRM
N#CCSCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001755028173	1189001077	/nfs/dbraw/zinc/00/10/77/1189001077.db2.gz	LBPOSKPHTYREAT-SNVBAGLBSA-N	-1	0	324.410	0.238	20	30		DCEDRM
C=CCOCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001756815286	1189459292	/nfs/dbraw/zinc/45/92/92/1189459292.db2.gz	LXGYHXJMNJMFEB-UWVGGRQHSA-N	-1	0	324.381	0.639	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001077578043	751710970	/nfs/dbraw/zinc/71/09/70/751710970.db2.gz	KGKIMQISZVZZJO-QMMMGPOBSA-N	-1	0	323.353	0.120	20	30		DCEDRM
CC#CCN1CC(N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001044181892	752612931	/nfs/dbraw/zinc/61/29/31/752612931.db2.gz	KRMWZRIOJLJVKE-UHFFFAOYSA-N	-1	0	300.318	0.708	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)N(C)c2ccncc2C#N)c1[O-]	ZINC001113551290	762380700	/nfs/dbraw/zinc/38/07/00/762380700.db2.gz	FUEGFDWVKZKQKP-VIFPVBQESA-N	-1	0	314.349	0.945	20	30		DCEDRM
CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001080411981	756204205	/nfs/dbraw/zinc/20/42/05/756204205.db2.gz	ZDAZKHSUVPKTQB-QMMMGPOBSA-N	-1	0	305.338	0.256	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@]3(CCN(CC#N)C3)C2)c1[O-]	ZINC001054117353	756372601	/nfs/dbraw/zinc/37/26/01/756372601.db2.gz	LTNHLEHGKPJXJW-OAHLLOKOSA-N	-1	0	303.366	0.875	20	30		DCEDRM
N#Cc1nccnc1N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[nH]n1)C2	ZINC001055253073	756765146	/nfs/dbraw/zinc/76/51/46/756765146.db2.gz	QCUUBAZKURONQU-PTRXPTGYSA-N	-1	0	310.321	0.006	20	30		DCEDRM
N#Cc1ccc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[nH]n2)C3)cn1	ZINC001055252920	756765226	/nfs/dbraw/zinc/76/52/26/756765226.db2.gz	KLCYNTGBDZMKFF-OSMZGAPFSA-N	-1	0	309.333	0.611	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1[O-]	ZINC001055776152	756913672	/nfs/dbraw/zinc/91/36/72/756913672.db2.gz	TYHRCKBNHYGWES-UHFFFAOYSA-N	-1	0	312.333	0.653	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H](NC(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC001066475426	759975188	/nfs/dbraw/zinc/97/51/88/759975188.db2.gz	OPSNWDDVNCEKIG-KOLCDFICSA-N	-1	0	319.365	0.694	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C=Cc2cccnc2)c(=O)[n-]c1=O	ZINC001148392745	767970299	/nfs/dbraw/zinc/97/02/99/767970299.db2.gz	GWLQRLPSLMRMBG-ONEGZZNKSA-N	-1	0	311.301	0.045	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1c(F)c([N+](=O)[O-])cc[n+]1[O-]	ZINC001169961867	760941318	/nfs/dbraw/zinc/94/13/18/760941318.db2.gz	FJYXPSXELOMNTO-UHFFFAOYSA-N	-1	0	322.212	0.794	20	30		DCEDRM
C[C@@H]1CC[C@@H](NC(=O)CSCC#N)CN1Cc1n[nH]c(=O)[n-]1	ZINC001131831121	764067314	/nfs/dbraw/zinc/06/73/14/764067314.db2.gz	YKIBUTJMLRIOEL-NXEZZACHSA-N	-1	0	324.410	0.236	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)CNc2nccnc2C#N)c1[O-]	ZINC001103948963	765208122	/nfs/dbraw/zinc/20/81/22/765208122.db2.gz	CLWQVEXSSRCIKB-MRVPVSSYSA-N	-1	0	315.337	0.563	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cn2)c1	ZINC000813984123	765300332	/nfs/dbraw/zinc/30/03/32/765300332.db2.gz	KUWLOAOOFJJURH-UHFFFAOYSA-N	-1	0	320.305	0.535	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)ns1	ZINC000813984126	765300573	/nfs/dbraw/zinc/30/05/73/765300573.db2.gz	OTSSYONSOQISFU-UHFFFAOYSA-N	-1	0	308.344	0.837	20	30		DCEDRM
Cc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c2n[nH]cc21	ZINC001136447725	766296099	/nfs/dbraw/zinc/29/60/99/766296099.db2.gz	GWYRUIQVPYGHED-UHFFFAOYSA-N	-1	0	324.300	0.644	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccn(C2CCOCC2)n1	ZINC001118427811	766312658	/nfs/dbraw/zinc/31/26/58/766312658.db2.gz	NSCVXJQPBXSBEW-UHFFFAOYSA-N	-1	0	308.338	0.797	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCc2nn(C)cc21)C(=O)[O-]	ZINC001119580988	766738188	/nfs/dbraw/zinc/73/81/88/766738188.db2.gz	STUSHTNYGZXGLU-GWCFXTLKSA-N	-1	0	307.350	0.612	20	30		DCEDRM
N#CCNC1CC(CNC(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001091263482	767073874	/nfs/dbraw/zinc/07/38/74/767073874.db2.gz	ITAFWAZCODPUDN-UHFFFAOYSA-N	-1	0	311.345	0.957	20	30		DCEDRM
C[C@H](C[C@H](C)NCC#N)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001146509414	767466435	/nfs/dbraw/zinc/46/64/35/767466435.db2.gz	CTJHNHXRMUFGOU-DTWKUNHWSA-N	-1	0	322.331	0.840	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@@H](CC#N)C1	ZINC001121663202	767615978	/nfs/dbraw/zinc/61/59/78/767615978.db2.gz	MXVJJBPVLBUIIC-NSHDSACASA-N	-1	0	313.365	0.818	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CCOCCO)C1CCC1	ZINC001147103142	767654158	/nfs/dbraw/zinc/65/41/58/767654158.db2.gz	AHZZJISPFFNSIK-UHFFFAOYSA-N	-1	0	319.361	0.971	20	30		DCEDRM
CC1(Cn2cc(C([O-])=C(C#N)C(=O)N3CCCC3)nn2)COC1	ZINC001122415190	767796472	/nfs/dbraw/zinc/79/64/72/767796472.db2.gz	QPYAMVBONTZSMI-LLVKDONJSA-N	-1	0	317.349	0.259	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(Br)nn1C	ZINC001122506534	767819966	/nfs/dbraw/zinc/81/99/66/767819966.db2.gz	KZRXUNZMVYCFKH-SSDOTTSWSA-N	-1	0	311.139	0.807	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@H]1CC[C@@H]1OC	ZINC001122513618	767820856	/nfs/dbraw/zinc/82/08/56/767820856.db2.gz	XQHSQSGPIHXRGW-RYUDHWBXSA-N	-1	0	318.381	0.692	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(OCC(N)=O)cc1	ZINC001122624739	767846001	/nfs/dbraw/zinc/84/60/01/767846001.db2.gz	MJJUWTURPLEUKF-CYBMUJFWSA-N	-1	0	315.329	0.496	20	30		DCEDRM
C#C[C@@H](CCC)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001139967172	768500807	/nfs/dbraw/zinc/50/08/07/768500807.db2.gz	HSQLMIIYCHSUDU-NSHDSACASA-N	-1	0	300.318	0.798	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)C2(C#N)CC2)cc1	ZINC001143182815	768693201	/nfs/dbraw/zinc/69/32/01/768693201.db2.gz	DZWINESFVMBNLX-UHFFFAOYSA-N	-1	0	321.358	0.547	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]C(=O)c1nnc2cc[nH]cc1-2	ZINC001152106397	769482905	/nfs/dbraw/zinc/48/29/05/769482905.db2.gz	JPDDOOFIAFVUHK-UHFFFAOYSA-N	-1	0	311.261	0.893	20	30		DCEDRM
N#Cc1c(Br)nccc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001234420868	769650826	/nfs/dbraw/zinc/65/08/26/769650826.db2.gz	CNKXYBIXQIVMNR-ZCFIWIBFSA-N	-1	0	315.079	0.457	20	30		DCEDRM
C#CCC1(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)CCC1	ZINC001235208618	769781153	/nfs/dbraw/zinc/78/11/53/769781153.db2.gz	CPNPVULMJYAPIP-GFCCVEGCSA-N	-1	0	317.393	0.737	20	30		DCEDRM
CSc1nc(Cl)c(C#N)c(N[C@H]2SC(=O)[N-]C2=O)n1	ZINC001155838048	770634270	/nfs/dbraw/zinc/63/42/70/770634270.db2.gz	WIHWIEFPKUMUOC-ZETCQYMHSA-N	-1	0	315.767	0.866	20	30		DCEDRM
C=CCOC(=O)N[C@H]1CCCN(c2nccnc2CC(=O)[O-])C1	ZINC001158915993	771834282	/nfs/dbraw/zinc/83/42/82/771834282.db2.gz	YJALWYYQTGAOHS-NSHDSACASA-N	-1	0	320.349	0.985	20	30		DCEDRM
O=C(C#CC1CC1)NCCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001160081250	771995800	/nfs/dbraw/zinc/99/58/00/771995800.db2.gz	JTRZNPHNNIEORS-UHFFFAOYSA-N	-1	0	315.377	0.562	20	30		DCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)Cc1cccc(F)c1F	ZINC001189482492	772490089	/nfs/dbraw/zinc/49/00/89/772490089.db2.gz	SSOHETDRIHZMJU-JTQLQIEISA-N	-1	0	318.301	0.839	20	30		DCEDRM
N#C[C@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)C(N)=O	ZINC001189551989	772492932	/nfs/dbraw/zinc/49/29/32/772492932.db2.gz	LHBZPGGCUSPUIR-VIFPVBQESA-N	-1	0	321.280	0.502	20	30		DCEDRM
N#Cc1cnc(NC(=O)c2ccccc2S(=O)(=O)[O-])cn1	ZINC001189668963	772510229	/nfs/dbraw/zinc/51/02/29/772510229.db2.gz	URMJYBJMFRESPG-UHFFFAOYSA-N	-1	0	304.287	0.847	20	30		DCEDRM
Cc1noc([N-]C(=O)c2cc(CN3CCOCC3)on2)c1C#N	ZINC001190195189	772604551	/nfs/dbraw/zinc/60/45/51/772604551.db2.gz	TVSHVPJATXBVFT-UHFFFAOYSA-N	-1	0	317.305	0.927	20	30		DCEDRM
CC(C)C[C@H]([N-]S(=O)(=O)c1ncc(F)cc1F)C(=O)NO	ZINC001190216910	772609210	/nfs/dbraw/zinc/60/92/10/772609210.db2.gz	BSZJQQHHXBQRRG-VIFPVBQESA-N	-1	0	323.321	0.558	20	30		DCEDRM
Cc1cnn(CCO)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F	ZINC001190619338	772646073	/nfs/dbraw/zinc/64/60/73/772646073.db2.gz	IFOROSTXSGXYSU-UHFFFAOYSA-N	-1	0	324.337	0.995	20	30		DCEDRM
CCOC(=O)[C@@H]1COCCN1C(=O)c1ccc([O-])c(C#N)c1	ZINC001193503898	773075485	/nfs/dbraw/zinc/07/54/85/773075485.db2.gz	ISLJCRSZVNIJJK-LBPRGKRZSA-N	-1	0	304.302	0.668	20	30		DCEDRM
N=C(c1nonc1N)N(O)C(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193589921	773081483	/nfs/dbraw/zinc/08/14/83/773081483.db2.gz	SBCPTMGCFHHJQC-UHFFFAOYSA-N	-1	0	313.657	0.573	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@H]2COCCC23OCCO3)c1[O-]	ZINC001193657876	773098875	/nfs/dbraw/zinc/09/88/75/773098875.db2.gz	JWPISUXZYQZAGX-LBPRGKRZSA-N	-1	0	304.302	0.526	20	30		DCEDRM
N#Cc1cccc(C(=O)NCCNC(=O)c2ccncc2)c1[O-]	ZINC001193658065	773099367	/nfs/dbraw/zinc/09/93/67/773099367.db2.gz	RLBXFMZSLDAUHE-UHFFFAOYSA-N	-1	0	310.313	0.819	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001194397529	773186645	/nfs/dbraw/zinc/18/66/45/773186645.db2.gz	WQEIZMHUZQQTQV-GHMZBOCLSA-N	-1	0	309.370	0.134	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@H]1NCC#N	ZINC001216821611	774139386	/nfs/dbraw/zinc/13/93/86/774139386.db2.gz	MUHKOQKHZOAZRO-RKDXNWHRSA-N	-1	0	320.315	0.404	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2cnn(C)c2C#N)c1	ZINC001201843349	774565228	/nfs/dbraw/zinc/56/52/28/774565228.db2.gz	OGBNWSBTBCDZIT-UHFFFAOYSA-N	-1	0	321.318	0.274	20	30		DCEDRM
C=CCNC(=O)N1CCN(CCCCS(=O)(=O)[O-])CC1	ZINC001202569213	774961721	/nfs/dbraw/zinc/96/17/21/774961721.db2.gz	WJSCHFBLTNTAPD-UHFFFAOYSA-N	-1	0	305.400	0.168	20	30		DCEDRM
C#CCCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001221514071	775134715	/nfs/dbraw/zinc/13/47/15/775134715.db2.gz	GTSQMDVNVWGQDC-VXGBXAGGSA-N	-1	0	303.366	0.347	20	30		DCEDRM
C=CCCOCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001222064393	775258284	/nfs/dbraw/zinc/25/82/84/775258284.db2.gz	SBALMIKPBAXLIJ-VXGBXAGGSA-N	-1	0	321.381	0.136	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cnc(CF)nc1	ZINC001225540003	775692079	/nfs/dbraw/zinc/69/20/79/775692079.db2.gz	LSDRGKYZYKSZKB-SNVBAGLBSA-N	-1	0	306.315	0.784	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1[nH]c(=S)ncc1C	ZINC001225742140	775714202	/nfs/dbraw/zinc/71/42/02/775714202.db2.gz	HTUDRFJVHULVKZ-VIFPVBQESA-N	-1	0	320.392	0.912	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncccc1OC	ZINC001226142859	775771206	/nfs/dbraw/zinc/77/12/06/775771206.db2.gz	RKGNQAUQIBBYAP-JTQLQIEISA-N	-1	0	303.336	0.928	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](Oc2nncc(=O)[n-]2)[C@H](C#N)C1	ZINC001226167569	775775493	/nfs/dbraw/zinc/77/54/93/775775493.db2.gz	GMKYFXBJWBMMRS-BDAKNGLRSA-N	-1	0	307.310	0.715	20	30		DCEDRM
C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1nccc(=O)[n-]1	ZINC001226324137	775800491	/nfs/dbraw/zinc/80/04/91/775800491.db2.gz	IOCMMPCKQSXZJA-SNVBAGLBSA-N	-1	0	308.290	0.778	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc2nccn2n1	ZINC001226578994	775839591	/nfs/dbraw/zinc/83/95/91/775839591.db2.gz	BJANLYRCNXSREG-SNVBAGLBSA-N	-1	0	313.335	0.567	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cnc2ccnn2c1	ZINC001229902723	776234528	/nfs/dbraw/zinc/23/45/28/776234528.db2.gz	GABKNTODCBUTNL-LLVKDONJSA-N	-1	0	313.335	0.567	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1n[nH]c2cccnc21	ZINC001230335616	776282787	/nfs/dbraw/zinc/28/27/87/776282787.db2.gz	WXAVEGVEBZVEQH-VIFPVBQESA-N	-1	0	313.335	0.796	20	30		DCEDRM
C[C@H]1[C@H](NC(=O)Nc2cccc(C#N)c2)C(=O)N1S(=O)(=O)[O-]	ZINC001202790202	776913846	/nfs/dbraw/zinc/91/38/46/776913846.db2.gz	XKULXQIPOHBRMY-XVKPBYJWSA-N	-1	0	324.318	0.082	20	30		DCEDRM
C#CCN(C1CCOCC1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001465115342	804151625	/nfs/dbraw/zinc/15/16/25/804151625.db2.gz	MBQIQPAHDFTADU-NEPJUHHUSA-N	-1	0	301.364	0.294	20	30		DCEDRM
Cc1nsc(NC(=O)NC[C@@]2(C(=O)[O-])CCOC2)c1C#N	ZINC001600820259	1168476015	/nfs/dbraw/zinc/47/60/15/1168476015.db2.gz	UVMLIIYNHXJXJY-LBPRGKRZSA-N	-1	0	310.335	0.936	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F)C(=O)[O-]	ZINC001602845944	1169192264	/nfs/dbraw/zinc/19/22/64/1169192264.db2.gz	ZIROINNXQUAWCT-RNJXMRFFSA-N	-1	0	309.240	0.874	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC001603576019	1169329129	/nfs/dbraw/zinc/32/91/29/1169329129.db2.gz	VJNFUCRPXUDQPZ-CYBMUJFWSA-N	-1	0	318.395	0.870	20	30		DCEDRM
N#CCCC(=O)N1CCc2onc(C(=O)[N-]c3nnco3)c2C1	ZINC001269023111	940593242	/nfs/dbraw/zinc/59/32/42/940593242.db2.gz	DZVNVQRGDAALQM-UHFFFAOYSA-N	-1	0	316.277	0.498	20	30		DCEDRM
C=CCN1C[C@]2(CCN(C(=O)c3ccncc3[O-])C2)OCC1=O	ZINC001271402847	941367354	/nfs/dbraw/zinc/36/73/54/941367354.db2.gz	QLCSUXCKSLEACG-INIZCTEOSA-N	-1	0	317.345	0.417	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc(OC(F)F)cn2)c(C#N)c1=O	ZINC001412883383	942122384	/nfs/dbraw/zinc/12/23/84/942122384.db2.gz	LQABSBDDHAYFQR-UHFFFAOYSA-N	-1	0	323.259	0.554	20	30		DCEDRM
C[C@H]1CCC[C@H](C)N1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412940706	942147497	/nfs/dbraw/zinc/14/74/97/942147497.db2.gz	MYJRVZWFWZIKNE-QWRGUYRKSA-N	-1	0	319.365	0.505	20	30		DCEDRM
CC(C)O[C@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001413060835	942437232	/nfs/dbraw/zinc/43/72/32/942437232.db2.gz	KAOAYJPSYBSFRK-TXEJJXNPSA-N	-1	0	320.349	0.283	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])nn1CCC#N	ZINC001611150494	970913897	/nfs/dbraw/zinc/91/38/97/970913897.db2.gz	GCOBBFYJDZCQQX-QMMMGPOBSA-N	-1	0	307.310	0.023	20	30		DCEDRM
CCOc1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001413275492	942599773	/nfs/dbraw/zinc/59/97/73/942599773.db2.gz	CVKASVKFTLMIBC-UHFFFAOYSA-N	-1	0	315.289	0.253	20	30		DCEDRM
C[C@H]1CC[C@H](CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001413308612	942619601	/nfs/dbraw/zinc/61/96/01/942619601.db2.gz	KALSREHSSJFEBV-QWRGUYRKSA-N	-1	0	304.350	0.763	20	30		DCEDRM
C[C@H]1CC[C@@H](CCC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)O1	ZINC001413310386	942620670	/nfs/dbraw/zinc/62/06/70/942620670.db2.gz	PIBJVKQCPIUYEK-JQWIXIFHSA-N	-1	0	320.349	0.284	20	30		DCEDRM
C#CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cc(=O)n(C)[n-]1	ZINC001272355110	942712310	/nfs/dbraw/zinc/71/23/10/942712310.db2.gz	RLVMXJFDTUFEGO-INIZCTEOSA-N	-1	0	316.361	0.356	20	30		DCEDRM
C#CCCCCC(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001484589755	943463961	/nfs/dbraw/zinc/46/39/61/943463961.db2.gz	ACTGSDNOYIVDES-GFCCVEGCSA-N	-1	0	321.381	0.021	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001484709093	943533762	/nfs/dbraw/zinc/53/37/62/943533762.db2.gz	BNDQEDIYUROCHL-NSHDSACASA-N	-1	0	309.370	0.184	20	30		DCEDRM
C#CCCCCC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001317495125	944999302	/nfs/dbraw/zinc/99/93/02/944999302.db2.gz	GRPCLWVXCBVOEW-GFCCVEGCSA-N	-1	0	305.382	0.785	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1	ZINC001319781452	945664310	/nfs/dbraw/zinc/66/43/10/945664310.db2.gz	IEVHSCKAXYQTKO-UHFFFAOYSA-N	-1	0	308.359	0.784	20	30		DCEDRM
Cc1nnc(NN=C2c3ccc(N(C)C)cc3NC2=O)[n-]c1=O	ZINC001321134445	946183655	/nfs/dbraw/zinc/18/36/55/946183655.db2.gz	BEZKSVQAECKBTR-UHFFFAOYSA-N	-1	0	313.321	0.720	20	30		DCEDRM
COC(=O)c1ccccc1S(=O)(=O)[N-]c1cncc(C#N)n1	ZINC001253955694	946209191	/nfs/dbraw/zinc/20/91/91/946209191.db2.gz	MMYYYBUHFFVCCD-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1	ZINC001602674905	971243508	/nfs/dbraw/zinc/24/35/08/971243508.db2.gz	DVUTWKIOBCSFQX-MJBXVCDLSA-N	-1	0	320.389	0.818	20	30		DCEDRM
C#CC1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1	ZINC001602675069	971245678	/nfs/dbraw/zinc/24/56/78/971245678.db2.gz	JOBOUQZZUVPZGR-UHFFFAOYSA-N	-1	0	306.362	0.618	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001602675439	971249890	/nfs/dbraw/zinc/24/98/90/971249890.db2.gz	VVFHMLBWEQBWQC-NSHDSACASA-N	-1	0	318.329	0.868	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2ccn(C)c2c1	ZINC001602679524	971260025	/nfs/dbraw/zinc/26/00/25/971260025.db2.gz	ROLCZKODIQIMSJ-UHFFFAOYSA-N	-1	0	313.313	0.663	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCCNC(=O)c1ccc(F)cc1	ZINC001602682233	971266696	/nfs/dbraw/zinc/26/66/96/971266696.db2.gz	JXABOYGTPUNNEZ-UHFFFAOYSA-N	-1	0	320.320	0.882	20	30		DCEDRM
C=CC[C@H](NC(=O)CCn1cnc2ccccc2c1=O)C(=O)[O-]	ZINC001322600643	946740089	/nfs/dbraw/zinc/74/00/89/946740089.db2.gz	NJCHYUBODKBPDE-ZDUSSCGKSA-N	-1	0	315.329	0.932	20	30		DCEDRM
C=CC[C@@H](NC(=O)/C=C/c1cncc(C(=O)NC)c1)C(=O)[O-]	ZINC001322598682	946740452	/nfs/dbraw/zinc/74/04/52/946740452.db2.gz	FIGMLQFWFXBCMB-BTDICHCPSA-N	-1	0	303.318	0.600	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1	ZINC001602683805	971276273	/nfs/dbraw/zinc/27/62/73/971276273.db2.gz	KDZXBVZBXSBLDQ-UONOGXRCSA-N	-1	0	323.393	0.359	20	30		DCEDRM
Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C(N)=O)nn1C	ZINC001258039675	946792552	/nfs/dbraw/zinc/79/25/52/946792552.db2.gz	XKRBPBMTGPQFCL-UHFFFAOYSA-N	-1	0	319.346	0.500	20	30		DCEDRM
COC(=O)c1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2)cn1	ZINC001258039700	946793667	/nfs/dbraw/zinc/79/36/67/946793667.db2.gz	ZFOWQYYWWNITBD-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
COC(=O)c1ccnnc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC001258045413	946794588	/nfs/dbraw/zinc/79/45/88/946794588.db2.gz	KKNOZLSNSUZRNR-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1nc(F)ccc1C(N)=O	ZINC001258208088	946810998	/nfs/dbraw/zinc/81/09/98/946810998.db2.gz	HLPJTRFYBGPJKI-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(=O)[N-]OCCOCC)c1ccccc1	ZINC001322921379	946861318	/nfs/dbraw/zinc/86/13/18/946861318.db2.gz	CJPILQLRPYHHAO-CQSZACIVSA-N	-1	0	304.346	0.952	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)[N-]OCc1ccccc1OC	ZINC001323030971	946906095	/nfs/dbraw/zinc/90/60/95/946906095.db2.gz	YSWVUUBZYUDCRS-UHFFFAOYSA-N	-1	0	306.318	0.009	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2nc(F)ccc2C(N)=O)c1	ZINC001259118320	946916409	/nfs/dbraw/zinc/91/64/09/946916409.db2.gz	FCSBBXRLYSKJBS-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(N2CCOCC2)cc1	ZINC001602691748	971298508	/nfs/dbraw/zinc/29/85/08/971298508.db2.gz	WYORPZKXXMKPFR-UHFFFAOYSA-N	-1	0	302.330	0.683	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)[N-]c2cncc(C(N)=O)c2)ccc1F	ZINC001259413009	946955194	/nfs/dbraw/zinc/95/51/94/946955194.db2.gz	XXWUNQRBHQQXBW-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
C[C@H]1CN(O)C(=O)[C@H]1NS(=O)(=O)c1cccc(Cl)c1F	ZINC001259472258	946961577	/nfs/dbraw/zinc/96/15/77/946961577.db2.gz	MZUMSSKKEWGQSJ-WKEGUHRASA-N	-1	0	322.745	0.994	20	30		DCEDRM
C#CCN(Cc1ccccc1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC001602700727	971320053	/nfs/dbraw/zinc/32/00/53/971320053.db2.gz	GHIJJCXCELDFLO-AWEZNQCLSA-N	-1	0	322.386	0.916	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)C(=O)[O-]	ZINC001332171518	947071678	/nfs/dbraw/zinc/07/16/78/947071678.db2.gz	CWCOGUPXSSZTTA-RKDXNWHRSA-N	-1	0	312.288	0.641	20	30		DCEDRM
C#Cc1cc(=NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc[nH]1	ZINC001260220982	947087357	/nfs/dbraw/zinc/08/73/57/947087357.db2.gz	AHUGFFZIGWUVKG-UHFFFAOYSA-N	-1	0	302.311	0.984	20	30		DCEDRM
C#CCn1ccc(CN(CC)Cc2c(C(=O)[O-])cnn2C)n1	ZINC001602704480	971335334	/nfs/dbraw/zinc/33/53/34/971335334.db2.gz	HDLWLEPMZOKDAN-UHFFFAOYSA-N	-1	0	301.350	0.970	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N2CC[C@@](COC)(C(=O)[O-])C2)cc1	ZINC001602707318	971343535	/nfs/dbraw/zinc/34/35/35/971343535.db2.gz	PVCGNAVKGBMUBZ-OAHLLOKOSA-N	-1	0	323.370	0.780	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)NCc1ccc(-c2nn[nH]n2)s1	ZINC001573326543	947374417	/nfs/dbraw/zinc/37/44/17/947374417.db2.gz	QGVBDEKWERLHOV-VIFPVBQESA-N	-1	0	322.394	0.912	20	30		DCEDRM
Cn1ncc2c1nc(N=NC1CCCS(=O)(=O)CC1)[n-]c2=O	ZINC001261652383	947387407	/nfs/dbraw/zinc/38/74/07/947387407.db2.gz	IJVCOOVZBICNKP-UHFFFAOYSA-N	-1	0	324.366	0.436	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)OC	ZINC001602718965	971379524	/nfs/dbraw/zinc/37/95/24/971379524.db2.gz	HFQBRDPDCXLUIJ-VIFPVBQESA-N	-1	0	307.306	0.803	20	30		DCEDRM
Cn1ncc(C(=O)[N-]S(=O)(=O)CCCC#N)c1C(F)(F)F	ZINC001324924069	947574244	/nfs/dbraw/zinc/57/42/44/947574244.db2.gz	KOFYBDFDLPUDHI-UHFFFAOYSA-N	-1	0	324.284	0.802	20	30		DCEDRM
C=CC[C@@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C(=O)OCC	ZINC001262337174	947659823	/nfs/dbraw/zinc/65/98/23/947659823.db2.gz	GVHLLQMYRUZJHI-CYBMUJFWSA-N	-1	0	323.393	0.999	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@](F)(C#N)C1	ZINC001263330352	947832169	/nfs/dbraw/zinc/83/21/69/947832169.db2.gz	IVMVIQFDYZNIHU-CQSZACIVSA-N	-1	0	317.328	0.520	20	30		DCEDRM
CC(C)(CCNC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC001325813946	947931893	/nfs/dbraw/zinc/93/18/93/947931893.db2.gz	NBQCOFYUBSCVSU-OUKQBFOZSA-N	-1	0	323.349	0.520	20	30		DCEDRM
CC(C)(C)O[N-]C(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC001325914208	947975273	/nfs/dbraw/zinc/97/52/73/947975273.db2.gz	RBDWXZROQVRKKC-UHFFFAOYSA-N	-1	0	311.363	0.683	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001326648689	948232740	/nfs/dbraw/zinc/23/27/40/948232740.db2.gz	XBAXCWNXIJRYOQ-NSHDSACASA-N	-1	0	323.397	0.430	20	30		DCEDRM
CC(C)OC(=O)[C@@H](C)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001570918030	948566850	/nfs/dbraw/zinc/56/68/50/948566850.db2.gz	JIKOQXUIBMFADF-QMMMGPOBSA-N	-1	0	316.325	0.528	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1	ZINC001602779218	971515440	/nfs/dbraw/zinc/51/54/40/971515440.db2.gz	TYKRJGQOLYBATI-YGRLFVJLSA-N	-1	0	308.338	0.053	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CCN(c2cccnn2)CC1	ZINC001602780205	971517176	/nfs/dbraw/zinc/51/71/76/971517176.db2.gz	BXFKADLGLGHIRE-HNNXBMFYSA-N	-1	0	317.349	0.566	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1CNC(=O)c2ccccc21	ZINC001329012509	949284001	/nfs/dbraw/zinc/28/40/01/949284001.db2.gz	PPTJTNZDBRENLU-LBPRGKRZSA-N	-1	0	321.358	0.263	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3cc(Cl)c[nH]3)C2)c(=O)[n-]c1=O	ZINC001364447941	949316834	/nfs/dbraw/zinc/31/68/34/949316834.db2.gz	HVOVWTSBMXNFHA-UHFFFAOYSA-N	-1	0	319.708	0.499	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H](OC)[C@@H](C)CC)n1	ZINC001489076477	949466714	/nfs/dbraw/zinc/46/67/14/949466714.db2.gz	MKQUWOXQNGFPHM-NHYWBVRUSA-N	-1	0	320.393	0.582	20	30		DCEDRM
COC[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccc(C)o1	ZINC001364542445	949524944	/nfs/dbraw/zinc/52/49/44/949524944.db2.gz	JKCWIQRUBKYNCX-JTQLQIEISA-N	-1	0	304.306	0.646	20	30		DCEDRM
C[C@@H](CC#N)C(=O)Nc1ccccc1-n1cnc(-c2nnn[n-]2)n1	ZINC001574471784	949538343	/nfs/dbraw/zinc/53/83/43/949538343.db2.gz	NAUKCRSPQJTUPJ-VIFPVBQESA-N	-1	0	323.320	0.936	20	30		DCEDRM
COCCCCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001329653955	949753749	/nfs/dbraw/zinc/75/37/49/949753749.db2.gz	LGPYRJDKFXTWJA-UHFFFAOYSA-N	-1	0	306.322	0.021	20	30		DCEDRM
C[C@@H]1CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)[C@@H]1CCO	ZINC001576180270	949950258	/nfs/dbraw/zinc/95/02/58/949950258.db2.gz	OLVLZDMRXGWYJU-MWLCHTKSSA-N	-1	0	314.353	0.516	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001589720152	950413582	/nfs/dbraw/zinc/41/35/82/950413582.db2.gz	OBBSIZCYKHBQQR-SNVBAGLBSA-N	-1	0	316.379	0.274	20	30		DCEDRM
COc1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)c(F)cc1C#N	ZINC001365069296	950456337	/nfs/dbraw/zinc/45/63/37/950456337.db2.gz	UWJNGLMONDXNFC-UHFFFAOYSA-N	-1	0	306.257	0.851	20	30		DCEDRM
C[C@@H]1CC[C@@H](CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001365148120	950607293	/nfs/dbraw/zinc/60/72/93/950607293.db2.gz	JDDVRVYNXVYWIE-GHMZBOCLSA-N	-1	0	319.365	0.556	20	30		DCEDRM
COC(=O)C1(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CC(CO)C1	ZINC001365158895	950632887	/nfs/dbraw/zinc/63/28/87/950632887.db2.gz	PURKJBMVMHFQGM-UHFFFAOYSA-N	-1	0	319.317	0.011	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC2(c3ccccn3)CCC2)c(C#N)c1=O	ZINC001365227814	950771906	/nfs/dbraw/zinc/77/19/06/950771906.db2.gz	UEIFWVXLNHTOLW-UHFFFAOYSA-N	-1	0	311.345	0.874	20	30		DCEDRM
CCCN(CC(=O)N(C)C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001365266121	950843467	/nfs/dbraw/zinc/84/34/67/950843467.db2.gz	SZZBQCIEICXKNV-UHFFFAOYSA-N	-1	0	316.365	0.607	20	30		DCEDRM
CC1CC(CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001365654698	951390979	/nfs/dbraw/zinc/39/09/79/951390979.db2.gz	DAWTZWXWPQIKRA-UHFFFAOYSA-N	-1	0	305.338	0.166	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(=O)[O-]	ZINC001332613338	951723127	/nfs/dbraw/zinc/72/31/27/951723127.db2.gz	FNLRCHCUJZPLNJ-UPJWGTAASA-N	-1	0	312.366	0.012	20	30		DCEDRM
NC(=O)[C@@H]1CCC2(CN(C(=O)CCC(=O)C3=CC=C[CH]3)C2)O1	ZINC001274660858	951772865	/nfs/dbraw/zinc/77/28/65/951772865.db2.gz	AJUJGQMWAJQTSF-ZDUSSCGKSA-N	-1	0	303.338	0.281	20	30		DCEDRM
CC(C)(C)OC(=O)N1CCN(C(=O)CCC(=O)[O-])[C@H](C#N)C1	ZINC001602889168	971792316	/nfs/dbraw/zinc/79/23/16/971792316.db2.gz	QIEUEXUPCYHSEI-SNVBAGLBSA-N	-1	0	311.338	0.823	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NC1CCN(CC(F)F)CC1	ZINC001334181348	952255386	/nfs/dbraw/zinc/25/53/86/952255386.db2.gz	GBWWBDPLHPOZPW-UHFFFAOYSA-N	-1	0	305.325	0.998	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001335187587	952480515	/nfs/dbraw/zinc/48/05/15/952480515.db2.gz	NEIALCAJGULGMX-QWHCGFSZSA-N	-1	0	324.377	0.265	20	30		DCEDRM
COC(=O)[C@H](CC(F)F)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001411937510	952551468	/nfs/dbraw/zinc/55/14/68/952551468.db2.gz	PJQWKBDMBBLJIJ-QMMMGPOBSA-N	-1	0	313.260	0.894	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cnn(C)c1Br)C(=O)[O-]	ZINC000383270550	971859674	/nfs/dbraw/zinc/85/96/74/971859674.db2.gz	HGGCGZBHTXXHRR-SSDOTTSWSA-N	-1	0	300.112	0.389	20	30		DCEDRM
Cn1nnc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1C(F)(F)F	ZINC001412294743	952736783	/nfs/dbraw/zinc/73/67/83/952736783.db2.gz	VNYKRLJITYIVFG-UHFFFAOYSA-N	-1	0	310.199	0.553	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)c1cccc(C#N)c1	ZINC001338590783	953033758	/nfs/dbraw/zinc/03/37/58/953033758.db2.gz	CMADCGRRBXMVAT-DGCLKSJQSA-N	-1	0	317.345	0.820	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](OC(C)C)C1	ZINC001338946521	953064300	/nfs/dbraw/zinc/06/43/00/953064300.db2.gz	QSLRLRUUYHHKTF-LLVKDONJSA-N	-1	0	318.381	0.692	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CCS[C@@H](C)[C@H]1C	ZINC001339210399	953080715	/nfs/dbraw/zinc/08/07/15/953080715.db2.gz	IJFDQZNBVIZMDW-BDAKNGLRSA-N	-1	0	306.399	0.974	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)/C=C\C3CCCC3)C2)c(=O)[n-]c1=O	ZINC001339349787	953089125	/nfs/dbraw/zinc/08/91/25/953089125.db2.gz	JMUMCCQMUNDSEK-WAYWQWQTSA-N	-1	0	314.345	0.950	20	30		DCEDRM
COCCCN(C)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C	ZINC001339553261	953101868	/nfs/dbraw/zinc/10/18/68/953101868.db2.gz	NFHVZEJGEGDBSN-UHFFFAOYSA-N	-1	0	302.338	0.927	20	30		DCEDRM
C=CC[C@H](NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)OCC	ZINC001342433885	953289816	/nfs/dbraw/zinc/28/98/16/953289816.db2.gz	GHXYUNIDGCVVCH-ZDUSSCGKSA-N	-1	0	320.345	0.746	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-]	ZINC001343779784	953373697	/nfs/dbraw/zinc/37/36/97/953373697.db2.gz	CIOMOCLGKAZLKW-SNVBAGLBSA-N	-1	0	321.786	0.875	20	30		DCEDRM
C[C@@H]1C[C@]2(CC[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])O2)CO1	ZINC001589296283	953650801	/nfs/dbraw/zinc/65/08/01/953650801.db2.gz	MNLUNTHOHMPGQB-YIKOMLBNSA-N	-1	0	310.350	0.834	20	30		DCEDRM
C#CCOCCN(C)C(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001348360084	954283249	/nfs/dbraw/zinc/28/32/49/954283249.db2.gz	CQVHJESGOAINJJ-UHFFFAOYSA-N	-1	0	301.302	0.752	20	30		DCEDRM
C=C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1ccccc1	ZINC001348383623	954290540	/nfs/dbraw/zinc/29/05/40/954290540.db2.gz	YEJZCTSYNCVBKO-GFCCVEGCSA-N	-1	0	310.375	0.538	20	30		DCEDRM
C[C@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)C[C@H](C)N1CC#N	ZINC001589393034	954344204	/nfs/dbraw/zinc/34/42/04/954344204.db2.gz	VQQJZGSGQFIYAP-UWVGGRQHSA-N	-1	0	305.338	0.177	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(c1cncc(C#N)n1)C[C@H]2C(=O)[O-]	ZINC001593825157	955097423	/nfs/dbraw/zinc/09/74/23/955097423.db2.gz	FLZOMEBGGBUOIK-UQACVICXSA-N	-1	0	316.317	0.438	20	30		DCEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(=O)[N-]OCC	ZINC001350878536	955212290	/nfs/dbraw/zinc/21/22/90/955212290.db2.gz	PMQCYTVNFSPIRR-NEPJUHHUSA-N	-1	0	311.382	0.421	20	30		DCEDRM
C=CC[C@@H](NC(=O)N[C@H](COC)C1CCOCC1)C(=O)[O-]	ZINC001351010204	955235204	/nfs/dbraw/zinc/23/52/04/955235204.db2.gz	GSKLYVVFKVYXBJ-VXGBXAGGSA-N	-1	0	300.355	0.757	20	30		DCEDRM
COC(=O)[C@]12CCC[C@H]1N(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC001593864986	955571473	/nfs/dbraw/zinc/57/14/73/955571473.db2.gz	FDDDHNKCJKUVHN-KMUNFCNLSA-N	-1	0	308.334	0.935	20	30		DCEDRM
COC(=O)c1ccc(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c(C#N)n1	ZINC001593880660	955704310	/nfs/dbraw/zinc/70/43/10/955704310.db2.gz	LCZYGVVQWKFHGL-VFZGTOFNSA-N	-1	0	317.301	0.277	20	30		DCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCC(=O)NCC(=O)[O-]	ZINC001589078775	955834940	/nfs/dbraw/zinc/83/49/40/955834940.db2.gz	AAMQJOMNEIAFHZ-JTQLQIEISA-N	-1	0	304.302	0.481	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)[C@@H](C)CNC(=O)c1cnc[nH]c1=O	ZINC001285723720	955936267	/nfs/dbraw/zinc/93/62/67/955936267.db2.gz	NUBOUIXUHMVWQH-BONVTDFDSA-N	-1	0	322.365	0.086	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001594587526	956013621	/nfs/dbraw/zinc/01/36/21/956013621.db2.gz	ITNXAAJZIPAURT-QWHCGFSZSA-N	-1	0	314.301	0.267	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC001593915819	956021607	/nfs/dbraw/zinc/02/16/07/956021607.db2.gz	SANMQYMOLYDCDS-JTQLQIEISA-N	-1	0	301.262	0.177	20	30		DCEDRM
N#CC[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(F)(F)F	ZINC001594605662	956168772	/nfs/dbraw/zinc/16/87/72/956168772.db2.gz	GRZUTQKYAVDGDP-JGVFFNPUSA-N	-1	0	321.255	0.270	20	30		DCEDRM
N#CC[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(F)(F)F	ZINC001594605661	956169787	/nfs/dbraw/zinc/16/97/87/956169787.db2.gz	GRZUTQKYAVDGDP-HTQZYQBOSA-N	-1	0	321.255	0.270	20	30		DCEDRM
N#Cc1ccc(CCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC001594618721	956267374	/nfs/dbraw/zinc/26/73/74/956267374.db2.gz	YDJDKRFMTOEJDF-CYBMUJFWSA-N	-1	0	315.329	0.150	20	30		DCEDRM
N#Cc1ccc(CNC(=O)c2cccn(CC(=O)[O-])c2=O)cc1	ZINC001594620196	956274997	/nfs/dbraw/zinc/27/49/97/956274997.db2.gz	BIFDZBWUNURWDC-UHFFFAOYSA-N	-1	0	311.297	0.735	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NC[C@H](C(=O)[O-])C2CCC2)nc1	ZINC001594623152	956296134	/nfs/dbraw/zinc/29/61/34/956296134.db2.gz	WVCTVIVQPHLDBP-LBPRGKRZSA-N	-1	0	302.334	0.982	20	30		DCEDRM
N#Cc1ncn(-c2ccccc2NC(=O)COCC(=O)[O-])n1	ZINC001594635375	956368090	/nfs/dbraw/zinc/36/80/90/956368090.db2.gz	JPDUVPWXUWKSON-UHFFFAOYSA-N	-1	0	301.262	0.179	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001287839374	956495516	/nfs/dbraw/zinc/49/55/16/956495516.db2.gz	UNAVERXTUGLXMI-BMIGLBTASA-N	-1	0	324.381	0.233	20	30		DCEDRM
CC1(C#N)CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1	ZINC001589181825	956529566	/nfs/dbraw/zinc/52/95/66/956529566.db2.gz	QRFDVCPAYMDYSP-GFCCVEGCSA-N	-1	0	321.377	0.852	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC2CCC(C#N)CC2)C1	ZINC001589187678	956571167	/nfs/dbraw/zinc/57/11/67/956571167.db2.gz	AWXNEUVYFAETPP-ZEPSKSRBSA-N	-1	0	321.377	0.756	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(c2nnc([C@H]3C[C@@H]3C#N)n2C)C1	ZINC001593969777	956595540	/nfs/dbraw/zinc/59/55/40/956595540.db2.gz	DMSMDKUBMWMRPG-BFVZDQMLSA-N	-1	0	305.338	0.370	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)Nc2ccnc(C#N)c2)CCO1	ZINC001593977388	956677676	/nfs/dbraw/zinc/67/76/76/956677676.db2.gz	KDLBWHWPAQJRMM-AWEZNQCLSA-N	-1	0	320.305	0.287	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn2ccc(C)cc12	ZINC001356251911	956807077	/nfs/dbraw/zinc/80/70/77/956807077.db2.gz	FBSQGLPXPCDQIQ-NSHDSACASA-N	-1	0	300.318	0.728	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)Nc1cnc(OC)c(C#N)c1	ZINC001594006648	956977682	/nfs/dbraw/zinc/97/76/82/956977682.db2.gz	IGMSBNUFCXIEKR-UHFFFAOYSA-N	-1	0	322.321	0.917	20	30		DCEDRM
CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCCCC#N)n1	ZINC001327806391	957348770	/nfs/dbraw/zinc/34/87/70/957348770.db2.gz	RZAKNVLDXYZIHC-UHFFFAOYSA-N	-1	0	307.310	0.061	20	30		DCEDRM
CC1(C)C[C@](C)(NCc2cc(=O)n3[n-]cc(C#N)c3n2)C(=O)O1	ZINC001414013040	957657089	/nfs/dbraw/zinc/65/70/89/957657089.db2.gz	IHJREMDUFLOLDX-HNNXBMFYSA-N	-1	0	315.333	0.880	20	30		DCEDRM
CON=CC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001594042495	957889160	/nfs/dbraw/zinc/88/91/60/957889160.db2.gz	NYYPYHVGIMJRKV-YPMHNXCESA-N	-1	0	319.317	0.162	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N(OC)[C@@H](C)C(=O)[O-]	ZINC001594049596	957968805	/nfs/dbraw/zinc/96/88/05/957968805.db2.gz	YIGMFTOJIGHXTE-VIFPVBQESA-N	-1	0	308.290	0.809	20	30		DCEDRM
C#CC[C@@H]1NC(=O)N(C[C@](C)(C(=O)[O-])c2ccccc2)C1=O	ZINC001588392163	958030095	/nfs/dbraw/zinc/03/00/95/958030095.db2.gz	URRGTGGDVOWESJ-LRDDRELGSA-N	-1	0	300.314	0.973	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)NCCCc1ccccc1	ZINC001588396413	958049813	/nfs/dbraw/zinc/04/98/13/958049813.db2.gz	YVJIIBXFUIRSBX-UHFFFAOYSA-N	-1	0	302.330	0.282	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ncc(Cl)cc1C	ZINC001588397303	958054976	/nfs/dbraw/zinc/05/49/76/958054976.db2.gz	CWZHDNSOFKKGJT-UHFFFAOYSA-N	-1	0	309.709	0.528	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC001588397592	958060907	/nfs/dbraw/zinc/06/09/07/958060907.db2.gz	MWPLMALGOFQSTR-OAHLLOKOSA-N	-1	0	308.334	0.794	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C	ZINC001588399778	958075451	/nfs/dbraw/zinc/07/54/51/958075451.db2.gz	OWWNJQRHLFMVCE-SNVBAGLBSA-N	-1	0	303.322	0.109	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCS(=O)(=O)c1ccc(C)cc1	ZINC001588401824	958085603	/nfs/dbraw/zinc/08/56/03/958085603.db2.gz	DHJSNXWFIWGAJA-UHFFFAOYSA-N	-1	0	323.370	0.705	20	30		DCEDRM
C=CCCC(=O)NC1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001297014875	958089827	/nfs/dbraw/zinc/08/98/27/958089827.db2.gz	ZOADSWWGSUTBJJ-UHFFFAOYSA-N	-1	0	316.317	0.835	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CC2(CO1)CCOCC2	ZINC001588408594	958113298	/nfs/dbraw/zinc/11/32/98/958113298.db2.gz	ULOGTIPUZRUHIB-GFCCVEGCSA-N	-1	0	310.350	0.302	20	30		DCEDRM
C#CCCCCCC(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001297115963	958144842	/nfs/dbraw/zinc/14/48/42/958144842.db2.gz	YXEMGNOQKPAGQV-UHFFFAOYSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(=O)n(CCOC)c1	ZINC001588411181	958147831	/nfs/dbraw/zinc/14/78/31/958147831.db2.gz	PGJLSEGQXJNBSC-UHFFFAOYSA-N	-1	0	307.306	0.046	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1	ZINC001588411220	958147945	/nfs/dbraw/zinc/14/79/45/958147945.db2.gz	RWEURWFRWWHLAN-UHFFFAOYSA-N	-1	0	324.358	0.950	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C(=O)OCC)cnc1C	ZINC001588417268	958169540	/nfs/dbraw/zinc/16/95/40/958169540.db2.gz	FSPNHQDSGZFERN-UHFFFAOYSA-N	-1	0	304.302	0.727	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1cc(C)nn1C(C)(C)C	ZINC001588419679	958194383	/nfs/dbraw/zinc/19/43/83/958194383.db2.gz	ATOUMXVNXJRZRF-UHFFFAOYSA-N	-1	0	306.366	0.905	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnn(C)c2)n1CC=C	ZINC001588426272	958228639	/nfs/dbraw/zinc/22/86/39/958228639.db2.gz	FANCLQVAFXHFOQ-UHFFFAOYSA-N	-1	0	300.322	0.389	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2nccn2C)n1CC(=C)C	ZINC001588426269	958228684	/nfs/dbraw/zinc/22/86/84/958228684.db2.gz	DSFCMUVUUDEGTJ-UHFFFAOYSA-N	-1	0	314.349	0.779	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(F)F)n1C[C@H]1CCOC1	ZINC001588427185	958241194	/nfs/dbraw/zinc/24/11/94/958241194.db2.gz	PSTUCIYYMDAFLC-SECBINFHSA-N	-1	0	314.292	0.776	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCC(=O)N2)n1CC(C)C	ZINC001588427344	958244652	/nfs/dbraw/zinc/24/46/52/958244652.db2.gz	UQYCELLBAHVMNQ-NSHDSACASA-N	-1	0	319.365	0.409	20	30		DCEDRM
C#Cc1cnc(N2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)nc1	ZINC001588439145	958310993	/nfs/dbraw/zinc/31/09/93/958310993.db2.gz	HLXCTBVYPSFWJZ-QWHCGFSZSA-N	-1	0	311.345	0.886	20	30		DCEDRM
C=C(Br)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588439218	958312663	/nfs/dbraw/zinc/31/26/63/958312663.db2.gz	JVTHMSOPPMFWDA-MRVPVSSYSA-N	-1	0	319.155	0.334	20	30		DCEDRM
C[C@@H]1CCC[C@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001361813313	958362258	/nfs/dbraw/zinc/36/22/58/958362258.db2.gz	NIMGYEIJHYXOKB-PWSUYJOCSA-N	-1	0	304.350	0.906	20	30		DCEDRM
CN(Cc1ccccc1F)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361822631	958370879	/nfs/dbraw/zinc/37/08/79/958370879.db2.gz	ADTAZSMCJRPOQH-UHFFFAOYSA-N	-1	0	316.292	0.618	20	30		DCEDRM
C=CCC(F)(F)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588452855	958428294	/nfs/dbraw/zinc/42/82/94/958428294.db2.gz	KUUVVOITDDRGBH-VIFPVBQESA-N	-1	0	304.293	0.780	20	30		DCEDRM
C=CCC(F)(F)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588452853	958428949	/nfs/dbraw/zinc/42/89/49/958428949.db2.gz	KUUVVOITDDRGBH-SECBINFHSA-N	-1	0	304.293	0.780	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cnc(C)c(C(=O)OC)c1	ZINC001573317346	958448079	/nfs/dbraw/zinc/44/80/79/958448079.db2.gz	GMNFKKOSEHOVLX-UHFFFAOYSA-N	-1	0	305.290	0.728	20	30		DCEDRM
C#Cc1ccc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1	ZINC001573327154	958486553	/nfs/dbraw/zinc/48/65/53/958486553.db2.gz	GSQKSIIFNJRMSL-YOEHRIQHSA-N	-1	0	314.341	0.911	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC001588465544	958505491	/nfs/dbraw/zinc/50/54/91/958505491.db2.gz	RYJJTFVOJGSNGL-VIFPVBQESA-N	-1	0	300.311	0.288	20	30		DCEDRM
C=CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1[C@]1(C)CNC(=O)C1	ZINC001588473334	958549456	/nfs/dbraw/zinc/54/94/56/958549456.db2.gz	XZMFXJOFCRCSOF-BONVTDFDSA-N	-1	0	319.365	0.153	20	30		DCEDRM
COc1cccc(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001594120724	958595491	/nfs/dbraw/zinc/59/54/91/958595491.db2.gz	GNFSNGWTKAMACU-AWEZNQCLSA-N	-1	0	306.274	0.821	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCN(C(C)C)C1=O	ZINC001362100188	958736233	/nfs/dbraw/zinc/73/62/33/958736233.db2.gz	BVDUAHMLVLKBBN-NSHDSACASA-N	-1	0	302.334	0.706	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCS(=O)CC2)cc1C#N	ZINC001362120898	958770902	/nfs/dbraw/zinc/77/09/02/958770902.db2.gz	ASMFRHIBLMZVBV-UHFFFAOYSA-N	-1	0	311.388	0.585	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC001588535566	958930436	/nfs/dbraw/zinc/93/04/36/958930436.db2.gz	PVUMQRLBQBNFNS-AWEZNQCLSA-N	-1	0	306.318	0.855	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)C1(CC(=O)[O-])CCC1)C1CC1	ZINC001588543925	958985560	/nfs/dbraw/zinc/98/55/60/958985560.db2.gz	WIPVFWBBFSJTLV-AWEZNQCLSA-N	-1	0	308.334	0.983	20	30		DCEDRM
CC(C)(C)N1C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1=O	ZINC001588558383	959085353	/nfs/dbraw/zinc/08/53/53/959085353.db2.gz	ROIGGJSDKHFPFX-ZUZCIYMTSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CSC1([C@H](C#N)N(C)C(=O)c2cn(CC(=O)[O-])nn2)CC1	ZINC001594181709	959097630	/nfs/dbraw/zinc/09/76/30/959097630.db2.gz	QBLCRXPBKZFONY-VIFPVBQESA-N	-1	0	309.351	0.222	20	30		DCEDRM
CSC1([C@@H](C#N)N(C)C(=O)c2cn(CC(=O)[O-])nn2)CC1	ZINC001594181708	959098137	/nfs/dbraw/zinc/09/81/37/959098137.db2.gz	QBLCRXPBKZFONY-SECBINFHSA-N	-1	0	309.351	0.222	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC001588585790	959309013	/nfs/dbraw/zinc/30/90/13/959309013.db2.gz	PGVAFFXGHBJAKP-CABZTGNLSA-N	-1	0	302.286	0.927	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCc3ccc(F)cc32)c(=O)[n-]c1=O	ZINC001362499486	959474833	/nfs/dbraw/zinc/47/48/33/959474833.db2.gz	ROPWYADSWCWMKO-UHFFFAOYSA-N	-1	0	314.276	0.549	20	30		DCEDRM
Cn1nc(C2CC2)cc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362738450	959912896	/nfs/dbraw/zinc/91/28/96/959912896.db2.gz	HPLDHYXDSGLBPQ-UHFFFAOYSA-N	-1	0	314.305	0.070	20	30		DCEDRM
CC(C)n1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001362870866	960116143	/nfs/dbraw/zinc/11/61/43/960116143.db2.gz	CGWOOYIYZDSVIP-UHFFFAOYSA-N	-1	0	302.294	0.237	20	30		DCEDRM
C[C@H]1CCC[C@H](C)C1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362876981	960121686	/nfs/dbraw/zinc/12/16/86/960121686.db2.gz	KYPHFWBCQLMXLK-UWVGGRQHSA-N	-1	0	304.350	0.761	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)s1	ZINC000230324308	960144128	/nfs/dbraw/zinc/14/41/28/960144128.db2.gz	KMBCHMXFGCUSCP-SNVBAGLBSA-N	-1	0	318.401	0.858	20	30		DCEDRM
CC(C)O[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362932372	960192088	/nfs/dbraw/zinc/19/20/88/960192088.db2.gz	BOJDZEIGVHSIMG-GFCCVEGCSA-N	-1	0	320.349	0.237	20	30		DCEDRM
C=CCOC[C@@H]([N-]S(=O)(=O)Cc1nocc1C)C(=O)OC	ZINC001309443190	960198505	/nfs/dbraw/zinc/19/85/05/960198505.db2.gz	QUGJQSWHOGBBRC-SNVBAGLBSA-N	-1	0	318.351	0.147	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](CO)OC(C)(C)C1	ZINC001363094856	960394511	/nfs/dbraw/zinc/39/45/11/960394511.db2.gz	ZSEBPXHUUUHANR-NSHDSACASA-N	-1	0	305.334	0.579	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2C[C@@H](O)C[C@]2(C)CO)cc1C#N	ZINC001363101188	960400811	/nfs/dbraw/zinc/40/08/11/960400811.db2.gz	MNKNYNDDYNBHON-LKFCYVNXSA-N	-1	0	323.374	0.339	20	30		DCEDRM
CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@H]1CCC[C@H]1C#N	ZINC001363126437	960438628	/nfs/dbraw/zinc/43/86/28/960438628.db2.gz	BBHSABKQWGTCHO-AAEUAGOBSA-N	-1	0	311.349	0.839	20	30		DCEDRM
C[C@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(C)(F)F	ZINC001363128891	960442564	/nfs/dbraw/zinc/44/25/64/960442564.db2.gz	OAXOQEDWWZPPCS-SSDOTTSWSA-N	-1	0	300.265	0.228	20	30		DCEDRM
C[C@H](CNC(=O)OC(C)(C)C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363162235	960510370	/nfs/dbraw/zinc/51/03/70/960510370.db2.gz	XYPXNGOUJGLCFQ-MRVPVSSYSA-N	-1	0	323.353	0.270	20	30		DCEDRM
N#Cc1nc(NC(=O)C[C@H]2CCCS(=O)(=O)C2)[n-]c1C#N	ZINC001363161421	960512080	/nfs/dbraw/zinc/51/20/80/960512080.db2.gz	SFDWALHSUQWGIR-MRVPVSSYSA-N	-1	0	307.335	0.306	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccns1	ZINC001363196049	960579267	/nfs/dbraw/zinc/57/92/67/960579267.db2.gz	LPPCDAYNLVVIHR-SSDOTTSWSA-N	-1	0	305.319	0.154	20	30		DCEDRM
CC1(C2(NC(=O)CCn3cc(C#N)c(=O)[n-]c3=O)CC2)CC1	ZINC001363205924	960601408	/nfs/dbraw/zinc/60/14/08/960601408.db2.gz	PCPNHESFSMWGDP-UHFFFAOYSA-N	-1	0	302.334	0.660	20	30		DCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(c2cnccc2C#N)CC1	ZINC001574281131	960644376	/nfs/dbraw/zinc/64/43/76/960644376.db2.gz	VNVDYWLXMPOYCC-BZNIZROVSA-N	-1	0	314.345	0.713	20	30		DCEDRM
C[C@@H](O)CN(Cc1cc(=O)n2[n-]cc(C#N)c2n1)CC(F)F	ZINC001363247782	960695040	/nfs/dbraw/zinc/69/50/40/960695040.db2.gz	XJEAGBGMJBXHQB-MRVPVSSYSA-N	-1	0	311.292	0.754	20	30		DCEDRM
C[C@H](CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)c1ccco1	ZINC001363284150	960783966	/nfs/dbraw/zinc/78/39/66/960783966.db2.gz	AZVWLWBXLYDLLO-SNVBAGLBSA-N	-1	0	316.317	0.724	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C2CCCCCC2)c(=O)[n-]c1=O	ZINC001363287739	960795768	/nfs/dbraw/zinc/79/57/68/960795768.db2.gz	OQRGUYHFONNSBG-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C2CC2)nc1	ZINC001571102601	961245272	/nfs/dbraw/zinc/24/52/72/961245272.db2.gz	OPXPNFXCAXZRIV-NSHDSACASA-N	-1	0	309.347	0.732	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCc2nc(C(=O)[O-])co2)s1	ZINC001571118268	961413760	/nfs/dbraw/zinc/41/37/60/961413760.db2.gz	CFGOVTCGNDMIOP-UHFFFAOYSA-N	-1	0	313.316	0.784	20	30		DCEDRM
C[C@H](C#N)C(=O)N1C[C@@H](CNc2ncc(C(=O)[O-])cn2)[C@H](C)C1	ZINC001571133776	961601218	/nfs/dbraw/zinc/60/12/18/961601218.db2.gz	WRNUWJYITHLWAP-CKYFFXLPSA-N	-1	0	317.349	0.841	20	30		DCEDRM
N#Cc1c(NC(=O)[C@@H](C(=O)[O-])C2CC2)[nH]nc1N1CCOCC1	ZINC001574479628	961653100	/nfs/dbraw/zinc/65/31/00/961653100.db2.gz	MUKUGTQDPQVDEL-JTQLQIEISA-N	-1	0	319.321	0.167	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)c2cc(C(=O)[O-])nn2C)CC1	ZINC001571145756	961740812	/nfs/dbraw/zinc/74/08/12/961740812.db2.gz	JGMPTKSXWZDJFT-UHFFFAOYSA-N	-1	0	320.305	0.037	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2cccc(CCCO)c2)c(C#N)c1=O	ZINC001363735680	961785102	/nfs/dbraw/zinc/78/51/02/961785102.db2.gz	PFTMHHWYMKMBDO-UHFFFAOYSA-N	-1	0	300.318	0.614	20	30		DCEDRM
COC[C@@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@@H](C)O1	ZINC001363797169	961905929	/nfs/dbraw/zinc/90/59/29/961905929.db2.gz	SOQVFMSOQKVAAG-MFKMUULPSA-N	-1	0	317.349	0.542	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2ccc3c(c2)OCCCO3)c(C#N)c1=O	ZINC001364128453	962525329	/nfs/dbraw/zinc/52/53/29/962525329.db2.gz	NRYQUHFYKIHZKX-UHFFFAOYSA-N	-1	0	314.301	0.850	20	30		DCEDRM
C[C@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)CC1(C)OCCO1	ZINC001364143963	962551645	/nfs/dbraw/zinc/55/16/45/962551645.db2.gz	FDWGMIDBSGEAJA-VIFPVBQESA-N	-1	0	308.338	0.146	20	30		DCEDRM
CCCc1nc(C)c(CNc2[n-]c(=O)n(C)c(=O)c2C#N)o1	ZINC001364192461	962648543	/nfs/dbraw/zinc/64/85/43/962648543.db2.gz	LBRYALSNZTYPFE-UHFFFAOYSA-N	-1	0	303.322	0.806	20	30		DCEDRM
C#CCCCC(=O)NCC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573302847	962662594	/nfs/dbraw/zinc/66/25/94/962662594.db2.gz	GTBLFMSJSOGLQJ-ZIAGYGMSSA-N	-1	0	320.389	0.865	20	30		DCEDRM
C[C@@H]1CCC[C@@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364221807	962699212	/nfs/dbraw/zinc/69/92/12/962699212.db2.gz	WHTKLEKAZQOBEX-KOLCDFICSA-N	-1	0	305.338	0.308	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588987732	962765640	/nfs/dbraw/zinc/76/56/40/962765640.db2.gz	CTUYZYTVXLDVQU-ADEWGFFLSA-N	-1	0	315.395	0.508	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(OC)c(F)c1C)C(=O)[O-]	ZINC000275045759	962818007	/nfs/dbraw/zinc/81/80/07/962818007.db2.gz	RQHVKHBGGVCZGJ-SECBINFHSA-N	-1	0	315.322	0.898	20	30		DCEDRM
C=C(Cl)C[NH2+]CC1(O)CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573344140	962912476	/nfs/dbraw/zinc/91/24/76/962912476.db2.gz	PHWYTAKDXOVGKA-WDEREUQCSA-N	-1	0	316.785	0.403	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001573346618	962942095	/nfs/dbraw/zinc/94/20/95/962942095.db2.gz	FCJOHCXJZZXPAA-HNNXBMFYSA-N	-1	0	320.349	0.151	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001573369401	963097245	/nfs/dbraw/zinc/09/72/45/963097245.db2.gz	SGVCWDCXEDKLJB-LLVKDONJSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=C(C)Cn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1[C@](C)(O)COC	ZINC001588441144	964049529	/nfs/dbraw/zinc/04/95/29/964049529.db2.gz	AHRRWKXITZBYEV-IAQYHMDHSA-N	-1	0	324.381	0.619	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ncnn2C)n1CC(=C)C	ZINC001588426365	969881545	/nfs/dbraw/zinc/88/15/45/969881545.db2.gz	HLJZDJVZKPOMPX-UHFFFAOYSA-N	-1	0	315.337	0.174	20	30		DCEDRM
C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001609469930	970420985	/nfs/dbraw/zinc/42/09/85/970420985.db2.gz	CLXJKDJPYCIDRK-ABAIWWIYSA-N	-1	0	322.365	0.853	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1	ZINC001609693111	970453536	/nfs/dbraw/zinc/45/35/36/970453536.db2.gz	VJXUFSJQLQATGA-SWLSCSKDSA-N	-1	0	317.301	0.854	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC000320285103	970642473	/nfs/dbraw/zinc/64/24/73/970642473.db2.gz	OUJOIAVONWOCLU-VIFPVBQESA-N	-1	0	303.336	0.810	20	30		DCEDRM
C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001610068655	970656007	/nfs/dbraw/zinc/65/60/07/970656007.db2.gz	WRVTYYFILIBCHK-LALPHHSUSA-N	-1	0	309.366	0.313	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(Cc2ccc(F)cc2C#N)CCO1	ZINC001604565853	973634068	/nfs/dbraw/zinc/63/40/68/973634068.db2.gz	ZPXYUVBOSASJRG-OAHLLOKOSA-N	-1	0	308.309	0.999	20	30		DCEDRM
N#CC1(CNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CCOCC1	ZINC001605575628	973839038	/nfs/dbraw/zinc/83/90/38/973839038.db2.gz	BFRFYMFKRYJGHU-VXGBXAGGSA-N	-1	0	310.350	0.693	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001605581749	973861078	/nfs/dbraw/zinc/86/10/78/973861078.db2.gz	KVNXBEKFSKFCPR-RYUDHWBXSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CCCN1CCN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CC1	ZINC001605585614	973877436	/nfs/dbraw/zinc/87/74/36/973877436.db2.gz	HADYXZGIRQRTMT-STQMWFEESA-N	-1	0	309.366	0.314	20	30		DCEDRM
N#Cc1ccc(-c2nnc(COC(=O)COCC(=O)[O-])o2)cc1	ZINC001605597644	973900417	/nfs/dbraw/zinc/90/04/17/973900417.db2.gz	YQJWIQPYWXZLDA-UHFFFAOYSA-N	-1	0	317.257	0.753	20	30		DCEDRM
N#Cc1ccc(CN2CCN(C(=O)COCC(=O)[O-])CC2)cc1	ZINC001605602287	973912959	/nfs/dbraw/zinc/91/29/59/973912959.db2.gz	YDPARVXNELLQKD-UHFFFAOYSA-N	-1	0	317.345	0.304	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000717438189	977900533	/nfs/dbraw/zinc/90/05/33/977900533.db2.gz	WSBULPGEZKWRGO-SSDOTTSWSA-N	-1	0	305.739	0.863	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000718151963	977959932	/nfs/dbraw/zinc/95/99/32/977959932.db2.gz	UXNDUFCJFVPBAG-SSDOTTSWSA-N	-1	0	303.723	0.311	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C#CC(C)(C)C)Nc1ccnc(C(=O)[O-])n1	ZINC001592563787	978454771	/nfs/dbraw/zinc/45/47/71/978454771.db2.gz	FWSDIYLZIMVSJY-NSHDSACASA-N	-1	0	318.377	0.905	20	30		DCEDRM
CC[C@@H](CNC(=O)CSCC#N)Nc1ccnc(C(=O)[O-])n1	ZINC001595144711	979610530	/nfs/dbraw/zinc/61/05/30/979610530.db2.gz	WFWXBIXAUKRLIX-VIFPVBQESA-N	-1	0	323.378	0.160	20	30		DCEDRM
C[C@](Cn1cccn1)(NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC001592916041	979888460	/nfs/dbraw/zinc/88/84/60/979888460.db2.gz	BELNIDUPXRMIRT-CQSZACIVSA-N	-1	0	320.349	0.553	20	30		DCEDRM
CCCC(=O)N1CCC[C@@H](C(=O)N(CC#N)CCC(=O)[O-])C1	ZINC001595522871	981345745	/nfs/dbraw/zinc/34/57/45/981345745.db2.gz	WGSYEJHYPTYQCJ-GFCCVEGCSA-N	-1	0	309.366	0.852	20	30		DCEDRM
CC[C@H](C(=O)[O-])C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC001594745106	981629434	/nfs/dbraw/zinc/62/94/34/981629434.db2.gz	KYMITDCQSZDKCK-MNOVXSKESA-N	-1	0	317.349	0.496	20	30		DCEDRM
CCCCNC(=O)NC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001595758358	982461747	/nfs/dbraw/zinc/46/17/47/982461747.db2.gz	BDSKVQSUZUITKG-UHFFFAOYSA-N	-1	0	320.305	0.044	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H](C)O[C@@H](C)C1	ZINC001524240372	1014903697	/nfs/dbraw/zinc/90/36/97/1014903697.db2.gz	PAYLKSNZWPXEJT-PHIMTYICSA-N	-1	0	318.381	0.692	20	30		DCEDRM
C#CCCCCC(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001530737025	1014912252	/nfs/dbraw/zinc/91/22/52/1014912252.db2.gz	ITEAOPPBUUPFKV-UHFFFAOYSA-N	-1	0	318.377	0.806	20	30		DCEDRM
Cn1cc(S(=O)(=O)N2CCO[C@](C)(C#N)C2)cc1C(=O)[O-]	ZINC001574220822	983196986	/nfs/dbraw/zinc/19/69/86/983196986.db2.gz	ROGSKBMJUKFEKG-GFCCVEGCSA-N	-1	0	313.335	0.026	20	30		DCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OCC	ZINC001588368222	983304626	/nfs/dbraw/zinc/30/46/26/983304626.db2.gz	IMMDNBKOPHQGGG-SECBINFHSA-N	-1	0	304.302	0.860	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001588382653	983373723	/nfs/dbraw/zinc/37/37/23/983373723.db2.gz	RPQPPRJPQKVZAT-SNVBAGLBSA-N	-1	0	301.302	0.590	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC001588383467	983381038	/nfs/dbraw/zinc/38/10/38/983381038.db2.gz	AMSZXDANICSZME-ZDUSSCGKSA-N	-1	0	309.343	0.549	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)NCCc1ncc(C(=O)[O-])s1	ZINC001588396365	983408352	/nfs/dbraw/zinc/40/83/52/983408352.db2.gz	YDFFELCNKBATNN-SECBINFHSA-N	-1	0	311.363	0.721	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC001588398166	983411239	/nfs/dbraw/zinc/41/12/39/983411239.db2.gz	FIFOZVNJSVEHTO-GWCFXTLKSA-N	-1	0	323.370	0.786	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H](CCC)CCCS(C)(=O)=O)C(=O)[O-]	ZINC001588398317	983411826	/nfs/dbraw/zinc/41/18/26/983411826.db2.gz	HPMJCYVXCQMYCN-NWDGAFQWSA-N	-1	0	317.407	0.820	20	30		DCEDRM
C#CC[C@@H](NC(=O)CC1(C(=O)OCC)CCOCC1)C(=O)[O-]	ZINC001588405593	983422109	/nfs/dbraw/zinc/42/21/09/983422109.db2.gz	HPEWZNPZGRREMI-LLVKDONJSA-N	-1	0	311.334	0.329	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1c2c(nn1C)CCCC2)C(=O)[O-]	ZINC001588424696	983456384	/nfs/dbraw/zinc/45/63/84/983456384.db2.gz	ZHVLBMJSWCJOLP-LLVKDONJSA-N	-1	0	311.363	0.054	20	30		DCEDRM
C#CCC1(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CCCCC1	ZINC001588428315	983461097	/nfs/dbraw/zinc/46/10/97/983461097.db2.gz	KAAAJVIKNZOGRA-LBPRGKRZSA-N	-1	0	304.350	0.821	20	30		DCEDRM
C#CCCOc1ccc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001588456144	983481782	/nfs/dbraw/zinc/48/17/82/983481782.db2.gz	ZZYAZUFIVFEAJZ-KBPBESRZSA-N	-1	0	317.341	0.996	20	30		DCEDRM
C#CCN(C(=O)COCc1ocnc1C(=O)[O-])C1CSC1	ZINC001588459580	983485017	/nfs/dbraw/zinc/48/50/17/983485017.db2.gz	CJTFWWUWCNBUDP-UHFFFAOYSA-N	-1	0	310.331	0.467	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C	ZINC001588461044	983488434	/nfs/dbraw/zinc/48/84/34/983488434.db2.gz	CZXBETVNRVEXLK-UHFFFAOYSA-N	-1	0	303.318	0.481	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1OC	ZINC001588491073	983534909	/nfs/dbraw/zinc/53/49/09/983534909.db2.gz	DBWDMSPXVZAMIM-UHFFFAOYSA-N	-1	0	313.331	0.322	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001588491117	983535100	/nfs/dbraw/zinc/53/51/00/983535100.db2.gz	DGOZZJDKMWRDST-UHFFFAOYSA-N	-1	0	310.331	0.459	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1sc(C)cc1C(=O)[O-]	ZINC001588491154	983535506	/nfs/dbraw/zinc/53/55/06/983535506.db2.gz	FCFLMECHAAGGMX-UHFFFAOYSA-N	-1	0	310.331	0.459	20	30		DCEDRM
C#CCSCC(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588506322	983551569	/nfs/dbraw/zinc/55/15/69/983551569.db2.gz	PNPBYEMRUVWBOX-UHFFFAOYSA-N	-1	0	308.315	0.628	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)cc1	ZINC001588517739	983566455	/nfs/dbraw/zinc/56/64/55/983566455.db2.gz	GXEJVNVSRSHGDV-CYBMUJFWSA-N	-1	0	311.384	0.907	20	30		DCEDRM
C=C(Br)CNC(=O)COCc1ocnc1C(=O)[O-]	ZINC001588529350	983581144	/nfs/dbraw/zinc/58/11/44/983581144.db2.gz	WLNUDTZGOVHJNL-UHFFFAOYSA-N	-1	0	319.111	0.914	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NCC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588529893	983582774	/nfs/dbraw/zinc/58/27/74/983582774.db2.gz	KMDJOYYLSHVWOA-RYUDHWBXSA-N	-1	0	308.378	0.884	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588533978	983585170	/nfs/dbraw/zinc/58/51/70/983585170.db2.gz	CNSSIVCMAOXZLX-XUJVJEKNSA-N	-1	0	312.366	0.853	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1)C(=O)[O-]	ZINC001588540358	983603415	/nfs/dbraw/zinc/60/34/15/983603415.db2.gz	DKKKUCUIAIEMAJ-TUAOUCFPSA-N	-1	0	313.350	0.880	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-]	ZINC001588548621	983624313	/nfs/dbraw/zinc/62/43/13/983624313.db2.gz	RTBBVRYSVKSDMT-LBPRGKRZSA-N	-1	0	301.306	0.812	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001596230196	983624530	/nfs/dbraw/zinc/62/45/30/983624530.db2.gz	VRYNXUPLSVLNBR-SECBINFHSA-N	-1	0	306.322	0.670	20	30		DCEDRM
C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C[C@@H]2C1	ZINC001588554562	983631120	/nfs/dbraw/zinc/63/11/20/983631120.db2.gz	JIBOZSYSWNBSEL-RQJABVFESA-N	-1	0	320.389	0.980	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OC	ZINC001588555765	983637061	/nfs/dbraw/zinc/63/70/61/983637061.db2.gz	RPIPQBDXSNKTBZ-KXUCPTDWSA-N	-1	0	305.352	0.277	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC	ZINC001588555990	983638246	/nfs/dbraw/zinc/63/82/46/983638246.db2.gz	YXPNPUKOABUPMC-SECBINFHSA-N	-1	0	317.319	0.764	20	30		DCEDRM
C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)C(=O)NCC(=O)[O-]	ZINC001588567552	983646833	/nfs/dbraw/zinc/64/68/33/983646833.db2.gz	MPMRGLIQMBODKK-LLVKDONJSA-N	-1	0	310.350	0.739	20	30		DCEDRM
C=C(C)Cn1c(C[C@H](C)O)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588597170	983678517	/nfs/dbraw/zinc/67/85/17/983678517.db2.gz	AZHLUJQIUITJSQ-XHDPSFHLSA-N	-1	0	324.381	0.457	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](N1CCOCC1)C(F)(F)F	ZINC001588622796	983725082	/nfs/dbraw/zinc/72/50/82/983725082.db2.gz	FFONCGFOVUTVSD-JTQLQIEISA-N	-1	0	324.299	0.787	20	30		DCEDRM
CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001596341018	983791036	/nfs/dbraw/zinc/79/10/36/983791036.db2.gz	NYQOYGPJOONWSD-NEPJUHHUSA-N	-1	0	317.349	0.638	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@@H](CC)Nc1ncc(C(=O)[O-])cn1	ZINC001588683906	983853123	/nfs/dbraw/zinc/85/31/23/983853123.db2.gz	GZWWJXWBHIQLJA-ABAIWWIYSA-N	-1	0	322.365	0.809	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCCN(C)c1ccnc(C(=O)[O-])n1	ZINC001588684805	983864385	/nfs/dbraw/zinc/86/43/85/983864385.db2.gz	YPUPMNODROXGAH-AWEZNQCLSA-N	-1	0	308.338	0.054	20	30		DCEDRM
CCN([C@@H](C)CO)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001596384256	983910117	/nfs/dbraw/zinc/91/01/17/983910117.db2.gz	OWSUANFUGMMXTG-VIFPVBQESA-N	-1	0	312.347	0.648	20	30		DCEDRM
C=C[C@H](O)c1nnc(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)n1CCOC	ZINC001588705213	983926531	/nfs/dbraw/zinc/92/65/31/983926531.db2.gz	LKXDATWQTCWDSL-JRPNMDOOSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=C[C@@H](OC(=O)CNc1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC001588710630	983933315	/nfs/dbraw/zinc/93/33/15/983933315.db2.gz	GHGSVFHMDNNIMX-LLVKDONJSA-N	-1	0	313.331	0.684	20	30		DCEDRM
C=C[C@@H](OC(=O)COC1CN(C(=O)OC(C)(C)C)C1)C(=O)[O-]	ZINC001588710943	983935147	/nfs/dbraw/zinc/93/51/47/983935147.db2.gz	KHIJUJSJPXQGAO-SNVBAGLBSA-N	-1	0	315.322	0.805	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(=O)OCC	ZINC001588750366	984071168	/nfs/dbraw/zinc/07/11/68/984071168.db2.gz	WNQKLNSRQOKXAO-OUAUKWLOSA-N	-1	0	319.379	0.667	20	30		DCEDRM
C=CCC1(C(=O)OCCn2cc(C(=O)[O-])nn2)CCOCC1	ZINC001588767127	984128386	/nfs/dbraw/zinc/12/83/86/984128386.db2.gz	KMJHABDTDFLRFB-UHFFFAOYSA-N	-1	0	309.322	0.892	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1	ZINC001588769180	984132974	/nfs/dbraw/zinc/13/29/74/984132974.db2.gz	OTEFZOVNVAJPCC-LBPRGKRZSA-N	-1	0	322.361	0.206	20	30		DCEDRM
C=CCCC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)[C@@H]1C	ZINC001588774153	984151398	/nfs/dbraw/zinc/15/13/98/984151398.db2.gz	UXDBMMPCOBUSES-WDEREUQCSA-N	-1	0	304.350	0.964	20	30		DCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588778718	984162422	/nfs/dbraw/zinc/16/24/22/984162422.db2.gz	JUCCCNSKKOMGRG-JTQLQIEISA-N	-1	0	300.336	0.385	20	30		DCEDRM
C=CCC[C@@H](NC(=O)Cn1ccc(C(=O)[O-])n1)C(=O)OCC	ZINC001588779393	984165925	/nfs/dbraw/zinc/16/59/25/984165925.db2.gz	XJQJZNKPPMWFKS-LLVKDONJSA-N	-1	0	309.322	0.595	20	30		DCEDRM
C=CCCCC(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O	ZINC001588783099	984176702	/nfs/dbraw/zinc/17/67/02/984176702.db2.gz	XTJQGVONVQTKKL-NEPJUHHUSA-N	-1	0	320.349	0.197	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)C(=O)[O-]	ZINC001588786724	984184810	/nfs/dbraw/zinc/18/48/10/984184810.db2.gz	RDPDDSQVQMAHID-NXEZZACHSA-N	-1	0	306.384	0.369	20	30		DCEDRM
C=CCCC[C@H](NC(=O)C1(S(C)(=O)=O)CCC1)C(=O)[O-]	ZINC001588790174	984204608	/nfs/dbraw/zinc/20/46/08/984204608.db2.gz	RWTHMNRGJSVKHB-JTQLQIEISA-N	-1	0	303.380	0.879	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588803684	984251831	/nfs/dbraw/zinc/25/18/31/984251831.db2.gz	COCNEXWBQNIVMD-SNVBAGLBSA-N	-1	0	314.367	0.519	20	30		DCEDRM
C=CCCOCCCCC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-]	ZINC001588810275	984265806	/nfs/dbraw/zinc/26/58/06/984265806.db2.gz	GYMKUYGQPGCOKF-GFCCVEGCSA-N	-1	0	312.366	0.503	20	30		DCEDRM
C=CCCn1cc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)nn1	ZINC001588817215	984275435	/nfs/dbraw/zinc/27/54/35/984275435.db2.gz	FNPDESKZYGRQGQ-MNOVXSKESA-N	-1	0	308.338	0.321	20	30		DCEDRM
C=CCN(C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C)C1CC1	ZINC001588819694	984278538	/nfs/dbraw/zinc/27/85/38/984278538.db2.gz	AKEXVGNRDWPBMX-UHFFFAOYSA-N	-1	0	306.322	0.392	20	30		DCEDRM
C=CCCn1cc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)nn1	ZINC001588819765	984278761	/nfs/dbraw/zinc/27/87/61/984278761.db2.gz	BKTOPTUNKRUKNO-UHFFFAOYSA-N	-1	0	319.277	0.671	20	30		DCEDRM
C=CCCn1cc(CN2CC[C@@H](C(=O)[O-])C[C@@H]2C(=O)OC)nn1	ZINC001588820002	984280744	/nfs/dbraw/zinc/28/07/44/984280744.db2.gz	MEPIBAXXJBKLFA-DGCLKSJQSA-N	-1	0	322.365	0.692	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1	ZINC001588822776	984291812	/nfs/dbraw/zinc/29/18/12/984291812.db2.gz	PAYYXTUHIQXBLH-SECBINFHSA-N	-1	0	323.374	0.802	20	30		DCEDRM
C=CCN(C[C@@H]1[C@H](C(=O)[O-])C1(F)F)[C@@H]1CCS(=O)(=O)C1	ZINC001588823901	984294607	/nfs/dbraw/zinc/29/46/07/984294607.db2.gz	BOLDZBXZFXXMNB-OPRDCNLKSA-N	-1	0	309.334	0.627	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C(=O)[O-]	ZINC001588850757	984379933	/nfs/dbraw/zinc/37/99/33/984379933.db2.gz	CXJVZZGNLOIVAR-MNOVXSKESA-N	-1	0	314.382	0.699	20	30		DCEDRM
C=CCOC[C@H](NC(=O)/C=C\c1ccc(C(=O)OC)o1)C(=O)[O-]	ZINC001588854234	984389301	/nfs/dbraw/zinc/38/93/01/984389301.db2.gz	SGIPQWJJNURQED-XOIDGJRKSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC001588856042	984396676	/nfs/dbraw/zinc/39/66/76/984396676.db2.gz	AFBZINFLDJLERA-LLVKDONJSA-N	-1	0	308.290	0.909	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)[O-]	ZINC001588856622	984401459	/nfs/dbraw/zinc/40/14/59/984401459.db2.gz	NVBNMKBXEGBFTC-RYUDHWBXSA-N	-1	0	300.355	0.309	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(OC(F)F)n(C)n1)C(=O)[O-]	ZINC001588859270	984404502	/nfs/dbraw/zinc/40/45/02/984404502.db2.gz	FXKXDVQZGXZPGZ-QMMMGPOBSA-N	-1	0	319.264	0.407	20	30		DCEDRM
C#CCCCCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001524656337	1015031751	/nfs/dbraw/zinc/03/17/51/1015031751.db2.gz	JLJIOBOSZRHQJF-LBPRGKRZSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnc([C@@H](C)O)s1)C(=O)[O-]	ZINC001588860223	984411814	/nfs/dbraw/zinc/41/18/14/984411814.db2.gz	MQTJRPUMBIXUAU-HTQZYQBOSA-N	-1	0	300.336	0.582	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)CC1(OC)CCCC1)C(=O)[O-]	ZINC001588865833	984420877	/nfs/dbraw/zinc/42/08/77/984420877.db2.gz	CSRBEJAUDPWMEL-NSHDSACASA-N	-1	0	321.395	0.521	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001524656574	1015032565	/nfs/dbraw/zinc/03/25/65/1015032565.db2.gz	PTTMLLIAQFQCQH-BONVTDFDSA-N	-1	0	322.365	0.082	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC001588866828	984428372	/nfs/dbraw/zinc/42/83/72/984428372.db2.gz	RESYSVDYQAOAOH-NSHDSACASA-N	-1	0	310.331	0.492	20	30		DCEDRM
C=CCn1c(-c2cn[nH]c2)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588890083	984483716	/nfs/dbraw/zinc/48/37/16/984483716.db2.gz	NPRVJOBBSWTRBE-ONGXEEELSA-N	-1	0	318.337	0.533	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(NC(C)=O)cc(NC(C)=O)c1	ZINC001524678021	1015039568	/nfs/dbraw/zinc/03/95/68/1015039568.db2.gz	VWPXDLFLPQTVCD-CYBMUJFWSA-N	-1	0	316.317	0.672	20	30		DCEDRM
C=CCn1c(N2CC[C@@](C)(C(=O)[O-])C2)nnc1[C@](C)(O)COC	ZINC001588904326	984528674	/nfs/dbraw/zinc/52/86/74/984528674.db2.gz	OKFAYSQTLZFRDA-HUUCEWRRSA-N	-1	0	324.381	0.619	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)nn1	ZINC001588909789	984545255	/nfs/dbraw/zinc/54/52/55/984545255.db2.gz	AIRQLFHSCOPYAR-SECBINFHSA-N	-1	0	316.321	0.624	20	30		DCEDRM
CC#CCCNC(=O)C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1	ZINC001588926889	984594592	/nfs/dbraw/zinc/59/45/92/984594592.db2.gz	BJUUICPNTPGEQM-UHFFFAOYSA-N	-1	0	323.736	0.579	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588927050	984596707	/nfs/dbraw/zinc/59/67/07/984596707.db2.gz	KEBRVQKNKBIQED-RQJABVFESA-N	-1	0	320.389	0.912	20	30		DCEDRM
C#C[C@@H]1CCCN(c2nnc(-c3nn[nH]n3)n2CC(C)C)C1	ZINC001525032868	1015090596	/nfs/dbraw/zinc/09/05/96/1015090596.db2.gz	HBZNYSRUENCZDU-LLVKDONJSA-N	-1	0	300.370	0.964	20	30		DCEDRM
C[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599928227	985249233	/nfs/dbraw/zinc/24/92/33/985249233.db2.gz	XTWBOBHUWVHJPP-FZMZJTMJSA-N	-1	0	317.345	0.348	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001599942362	985470576	/nfs/dbraw/zinc/47/05/76/985470576.db2.gz	GWWJUNSDWRNHAY-AWEZNQCLSA-N	-1	0	302.290	0.640	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC001596869661	985690844	/nfs/dbraw/zinc/69/08/44/985690844.db2.gz	QQODLEZHLYIUMF-STQMWFEESA-N	-1	0	306.318	0.540	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(C(=O)[O-])cn1	ZINC001589329801	986166791	/nfs/dbraw/zinc/16/67/91/986166791.db2.gz	SUEZHRXMQLVQKD-HKWIRBFKSA-N	-1	0	315.333	0.560	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001589330095	986170318	/nfs/dbraw/zinc/17/03/18/986170318.db2.gz	YEPWMBFSMYQGMR-XPTSAGLGSA-N	-1	0	303.322	0.419	20	30		DCEDRM
C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001589331784	986191616	/nfs/dbraw/zinc/19/16/16/986191616.db2.gz	OTEXXYRZOQAJMJ-ZETCQYMHSA-N	-1	0	313.291	0.826	20	30		DCEDRM
Cc1c(C(=O)[O-])cc(C=NNCC(C)(C)S(C)(=O)=O)n1C	ZINC001599984128	986206782	/nfs/dbraw/zinc/20/67/82/986206782.db2.gz	BKKLBNCTMMBVKN-UHFFFAOYSA-N	-1	0	315.395	0.778	20	30		DCEDRM
C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cccs1)n1cnc(C#N)n1	ZINC001589378864	986450359	/nfs/dbraw/zinc/45/03/59/986450359.db2.gz	UMHBBIFPEWMFJV-OIBJUYFYSA-N	-1	0	305.319	0.714	20	30		DCEDRM
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCSC[C@H]1CC(=O)[O-]	ZINC001589388799	986498480	/nfs/dbraw/zinc/49/84/80/986498480.db2.gz	QKSUWHJXKUXSHG-WDEREUQCSA-N	-1	0	311.407	0.829	20	30		DCEDRM
C[C@H](C(=O)Nc1nc(CC(=O)[O-])cs1)n1cnc(C#N)n1	ZINC001589443951	986794399	/nfs/dbraw/zinc/79/43/99/986794399.db2.gz	GWGZFNYQMFGQNJ-ZCFIWIBFSA-N	-1	0	306.307	0.433	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001589866379	988469821	/nfs/dbraw/zinc/46/98/21/988469821.db2.gz	DTLGLGBVTTVLES-ISVAXAHUSA-N	-1	0	302.302	0.787	20	30		DCEDRM
CCc1nc(C#N)cc(NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1	ZINC001597646509	988666943	/nfs/dbraw/zinc/66/69/43/988666943.db2.gz	AHOZPEFCCFISEY-UWVGGRQHSA-N	-1	0	303.322	0.159	20	30		DCEDRM
C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599865340	989241895	/nfs/dbraw/zinc/24/18/95/989241895.db2.gz	XTWBOBHUWVHJPP-RISCZKNCSA-N	-1	0	317.345	0.348	20	30		DCEDRM
COC(=O)C[C@@H]1CCC[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001413924535	989288363	/nfs/dbraw/zinc/28/83/63/989288363.db2.gz	YGUVAWNWSVVUTO-WCBMZHEXSA-N	-1	0	306.322	0.089	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1	ZINC001590948954	991003133	/nfs/dbraw/zinc/00/31/33/991003133.db2.gz	HLEIEKAIDQGATQ-UPJWGTAASA-N	-1	0	309.366	0.311	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CC1	ZINC001590952842	991016841	/nfs/dbraw/zinc/01/68/41/991016841.db2.gz	LKSAEYIZCYHUEZ-HIFRSBDPSA-N	-1	0	324.425	0.378	20	30		DCEDRM
CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ncc(C#N)cc1F	ZINC001598480487	992141261	/nfs/dbraw/zinc/14/12/61/992141261.db2.gz	VMOJVRDJZVKKKQ-WDEREUQCSA-N	-1	0	320.324	0.756	20	30		DCEDRM
CN1C(=O)c2ccc(C(=O)N(CC#N)CCC(=O)[O-])cc2C1=O	ZINC001598556488	993063580	/nfs/dbraw/zinc/06/35/80/993063580.db2.gz	IOQWYFUJYAVKPE-UHFFFAOYSA-N	-1	0	315.285	0.353	20	30		DCEDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)/C=C\c2ccccc2C#N)CC1=O	ZINC001598562395	993101581	/nfs/dbraw/zinc/10/15/81/993101581.db2.gz	KFSQCGRPDAPXAI-FWWRYZNZSA-N	-1	0	313.313	0.325	20	30		DCEDRM
CN1C[C@H](C(=O)[O-])N(C(=O)Cc2ccccc2CC#N)CC1=O	ZINC001598565045	993133862	/nfs/dbraw/zinc/13/38/62/993133862.db2.gz	PJZBSYPABKEUPP-CYBMUJFWSA-N	-1	0	315.329	0.049	20	30		DCEDRM
COc1ccc(S(=O)(=O)N(CC#N)CCC(=O)[O-])c(C)c1	ZINC001599607519	993906604	/nfs/dbraw/zinc/90/66/04/993906604.db2.gz	DCPPLMFWFHAZIQ-UHFFFAOYSA-N	-1	0	312.347	0.993	20	30		DCEDRM
C[C@@H](OC(=O)c1ccncc1C(=O)[O-])C(=O)N(C)CCC#N	ZINC001593597228	995737563	/nfs/dbraw/zinc/73/75/63/995737563.db2.gz	HJANCHVUGPHSPU-SECBINFHSA-N	-1	0	305.290	0.697	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](O)CN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001598757608	995739319	/nfs/dbraw/zinc/73/93/19/995739319.db2.gz	POHVNJVUNRNYRY-RKDXNWHRSA-N	-1	0	305.290	0.012	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(C#N)n1	ZINC001598772092	995892635	/nfs/dbraw/zinc/89/26/35/995892635.db2.gz	UEMOAWMOJLLPLP-JOYOIKCWSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C#N)o2)C1	ZINC001598774023	995910903	/nfs/dbraw/zinc/91/09/03/995910903.db2.gz	PARSBAWBVPKZRV-WPRPVWTQSA-N	-1	0	306.274	0.630	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(Cc2cc(C#N)ccn2)C1	ZINC001598775389	995924937	/nfs/dbraw/zinc/92/49/37/995924937.db2.gz	IFEWWQGGPFEOCP-YPMHNXCESA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccnc(C#N)c1	ZINC001598776301	995933428	/nfs/dbraw/zinc/93/34/28/995933428.db2.gz	JSLCMFKRYVGLFM-WCQYABFASA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)CCN(CC#N)CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001598855646	996636451	/nfs/dbraw/zinc/63/64/51/996636451.db2.gz	WKCUDYPRAYOBBJ-UHFFFAOYSA-N	-1	0	319.317	0.712	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(c2nnc(CC(C)(C)C#N)n2C)C1	ZINC001599076639	996885166	/nfs/dbraw/zinc/88/51/66/996885166.db2.gz	DEXIKZCJHBWPNJ-AWEZNQCLSA-N	-1	0	307.354	0.587	20	30		DCEDRM
COc1cc(C(=O)[O-])sc1S(=O)(=O)NC1(C#N)CC1	ZINC001599385008	996928760	/nfs/dbraw/zinc/92/87/60/996928760.db2.gz	JECOZUFNNXWOEI-UHFFFAOYSA-N	-1	0	302.333	0.789	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)CC(=O)[O-]	ZINC001598919022	997529640	/nfs/dbraw/zinc/52/96/40/997529640.db2.gz	PSTXSUANIFUBAU-UHFFFAOYSA-N	-1	0	312.303	0.050	20	30		DCEDRM
CON=CC(=O)N[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O	ZINC001599319799	997560838	/nfs/dbraw/zinc/56/08/38/997560838.db2.gz	HCWHROVIMSQOAQ-LLVKDONJSA-N	-1	0	305.290	0.387	20	30		DCEDRM
CO[C@H]1CCN(C(=O)c2cc(C)c(C#N)cn2)[C@H](C(=O)[O-])C1	ZINC001599121225	997742267	/nfs/dbraw/zinc/74/22/67/997742267.db2.gz	UIZQGALEKLNAQQ-AAEUAGOBSA-N	-1	0	303.318	0.966	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@]12CCOC2=O	ZINC001467301093	1016153445	/nfs/dbraw/zinc/15/34/45/1016153445.db2.gz	FBBWBASTNKZERK-OAHLLOKOSA-N	-1	0	301.302	0.889	20	30		DCEDRM
COCC#CC(=O)NC[C@@H](Cc1ccccc1OC)C(=O)[O-]	ZINC001599138432	998084769	/nfs/dbraw/zinc/08/47/69/998084769.db2.gz	LNUFYPXMINOGBM-CYBMUJFWSA-N	-1	0	305.330	0.705	20	30		DCEDRM
COCCOc1cc(OC)ccc1C(=O)N(CC#N)CC(=O)[O-]	ZINC001599257442	998328276	/nfs/dbraw/zinc/32/82/76/998328276.db2.gz	XKWCXZHWNLLEGC-UHFFFAOYSA-N	-1	0	322.317	0.771	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCC#Cc1ccccc1	ZINC001594138729	998412687	/nfs/dbraw/zinc/41/26/87/998412687.db2.gz	OGDDSMIVPKXPQV-JSGCOSHPSA-N	-1	0	314.341	0.476	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC001594141300	998442395	/nfs/dbraw/zinc/44/23/95/998442395.db2.gz	JHPVPETWUQIAFS-JOYOIKCWSA-N	-1	0	301.302	0.818	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC001594141301	998442721	/nfs/dbraw/zinc/44/27/21/998442721.db2.gz	JHPVPETWUQIAFS-SKDRFNHKSA-N	-1	0	301.302	0.818	20	30		DCEDRM
C=CCO[N-]C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21	ZINC001468107716	1016222526	/nfs/dbraw/zinc/22/25/26/1016222526.db2.gz	XHEAZRQQJVBIPV-UHFFFAOYSA-N	-1	0	323.374	0.815	20	30		DCEDRM
COC[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C(=O)[O-]	ZINC001599166830	998554633	/nfs/dbraw/zinc/55/46/33/998554633.db2.gz	HHDBGGQZPHGPFZ-KGLIPLIRSA-N	-1	0	317.345	0.743	20	30		DCEDRM
CO[C@@H](C)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001599040301	999112851	/nfs/dbraw/zinc/11/28/51/999112851.db2.gz	ULDWHBBBCSJGGH-BDAKNGLRSA-N	-1	0	312.347	0.958	20	30		DCEDRM
C[C@@H]1C[C@H]1c1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n[nH]1	ZINC001469428605	1016333721	/nfs/dbraw/zinc/33/37/21/1016333721.db2.gz	LFIBFLYCMOJSII-VXNVDRBHSA-N	-1	0	314.305	0.306	20	30		DCEDRM
C=C(Cl)CN1CC[C@@](O)(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001402265599	1001155125	/nfs/dbraw/zinc/15/51/25/1001155125.db2.gz	METITKLFEFXYKR-CYBMUJFWSA-N	-1	0	314.773	0.343	20	30		DCEDRM
C[C@H](O)[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccc1F	ZINC001421168370	1003400650	/nfs/dbraw/zinc/40/06/50/1003400650.db2.gz	QGPIQZSDUANENO-QPUJVOFHSA-N	-1	0	318.308	0.618	20	30		DCEDRM
COc1cc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)ccn1	ZINC001421218097	1003454611	/nfs/dbraw/zinc/45/46/11/1003454611.db2.gz	RMRHWIVSQYINKU-UHFFFAOYSA-N	-1	0	301.306	0.003	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[nH]1	ZINC001505983277	1016821705	/nfs/dbraw/zinc/82/17/05/1016821705.db2.gz	ADVWXNJAXAOBAG-NWDGAFQWSA-N	-1	0	309.414	0.647	20	30		DCEDRM
C[C@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@@H](C(N)=O)C1	ZINC001473408929	1016927897	/nfs/dbraw/zinc/92/78/97/1016927897.db2.gz	JFVUHOSQKWMCCL-JOYOIKCWSA-N	-1	0	314.349	0.392	20	30		DCEDRM
CC(C)(CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001414741344	1005393914	/nfs/dbraw/zinc/39/39/14/1005393914.db2.gz	UBKBANLAZARNES-UHFFFAOYSA-N	-1	0	319.365	0.556	20	30		DCEDRM
COC[C@@](C)(CC(=O)OC)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417655945	1005861699	/nfs/dbraw/zinc/86/16/99/1005861699.db2.gz	PCWFHKGMUTWOOX-OAHLLOKOSA-N	-1	0	321.333	0.665	20	30		DCEDRM
CO[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC[C@@H]1C	ZINC001417715981	1005874533	/nfs/dbraw/zinc/87/45/33/1005874533.db2.gz	DHYVMNKOIJHPRA-CMPLNLGQSA-N	-1	0	320.349	0.094	20	30		DCEDRM
CC[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCCO1	ZINC001417724717	1005876562	/nfs/dbraw/zinc/87/65/62/1005876562.db2.gz	VTAIYBZUBAAYPG-GFCCVEGCSA-N	-1	0	320.349	0.238	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC001545885761	1005982432	/nfs/dbraw/zinc/98/24/32/1005982432.db2.gz	HVBBJRMATDPWQT-CQSZACIVSA-N	-1	0	322.324	0.701	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2nnc(C3CC3)s2)c(=O)[n-]c1=O	ZINC001418261981	1006266216	/nfs/dbraw/zinc/26/62/16/1006266216.db2.gz	KQRBCOOSJDLWSN-UHFFFAOYSA-N	-1	0	318.318	0.188	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C[C@H](C)O1	ZINC001418327677	1006385773	/nfs/dbraw/zinc/38/57/73/1006385773.db2.gz	CPJJZKCOPRQOQK-ONGXEEELSA-N	-1	0	319.317	0.370	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccn(CC(F)(F)F)n1)C(=O)[O-]	ZINC001520167618	1017251924	/nfs/dbraw/zinc/25/19/24/1017251924.db2.gz	PXDWVQVEDJFNJO-SECBINFHSA-N	-1	0	321.255	0.831	20	30		DCEDRM
CC[C@@H]1C[C@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001453842624	1008754531	/nfs/dbraw/zinc/75/45/31/1008754531.db2.gz	MIPAXXNENFNBOE-ZYHUDNBSSA-N	-1	0	320.349	0.142	20	30		DCEDRM
N#C[C@@H]1CSCCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001433862650	1009275097	/nfs/dbraw/zinc/27/50/97/1009275097.db2.gz	UXYQKEFMDPEOJW-LLVKDONJSA-N	-1	0	315.362	0.156	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](C)C[C@H]1C(N)=O	ZINC001433927515	1009361176	/nfs/dbraw/zinc/36/11/76/1009361176.db2.gz	RINXBAPVIDQVGA-KCJUWKMLSA-N	-1	0	302.334	0.693	20	30		DCEDRM
CC(C)c1nn(C)cc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001433961083	1009404155	/nfs/dbraw/zinc/40/41/55/1009404155.db2.gz	KQJVKCYYGMQKOH-UHFFFAOYSA-N	-1	0	316.321	0.316	20	30		DCEDRM
Cc1c(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cnn1CCC#N	ZINC001455130166	1009506106	/nfs/dbraw/zinc/50/61/06/1009506106.db2.gz	GVUKXMLRZUMNQL-SNVBAGLBSA-N	-1	0	300.326	0.248	20	30		DCEDRM
C[C@@H](C#N)C(=O)N(C)CCN(C)Cc1cc(=O)n2[n-]ccc2n1	ZINC001422151701	1009558219	/nfs/dbraw/zinc/55/82/19/1009558219.db2.gz	HHZFSMAHNWRMPR-NSHDSACASA-N	-1	0	316.365	0.072	20	30		DCEDRM
Cc1ccc(CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001434205825	1009662503	/nfs/dbraw/zinc/66/25/03/1009662503.db2.gz	DCAJSENSFDZREQ-UHFFFAOYSA-N	-1	0	318.358	0.549	20	30		DCEDRM
CC(C)(/C=C\Cl)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434369574	1009849150	/nfs/dbraw/zinc/84/91/50/1009849150.db2.gz	AQXGICBXXUTXAE-PLNGDYQASA-N	-1	0	310.741	0.858	20	30		DCEDRM
COC[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1nnn[n-]1	ZINC001455729917	1009935876	/nfs/dbraw/zinc/93/58/76/1009935876.db2.gz	OTOWYOOWEAYTMV-QWHCGFSZSA-N	-1	0	314.349	0.776	20	30		DCEDRM
C[C@H]1C(=O)NCCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001422397600	1010017699	/nfs/dbraw/zinc/01/76/99/1010017699.db2.gz	XYDBUZOLOZKGGI-VIFPVBQESA-N	-1	0	300.322	0.017	20	30		DCEDRM
COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1ccc(C#N)cn1	ZINC001475359657	1017097996	/nfs/dbraw/zinc/09/79/96/1017097996.db2.gz	FTAIZGOHGBBAQK-UHFFFAOYSA-N	-1	0	321.314	0.811	20	30		DCEDRM
CCc1cnc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001444991959	1011294105	/nfs/dbraw/zinc/29/41/05/1011294105.db2.gz	CDSPJTGCLCVWNT-UHFFFAOYSA-N	-1	0	319.346	0.156	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2cccc(C[S@](C)=O)c2)c(C#N)c1=O	ZINC001458183445	1012100636	/nfs/dbraw/zinc/10/06/36/1012100636.db2.gz	OKXJAUXCALGJJL-QFIPXVFZSA-N	-1	0	318.358	0.567	20	30		DCEDRM
C[C@H](C[C@@H](O)c1ccccc1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001458239302	1012114539	/nfs/dbraw/zinc/11/45/39/1012114539.db2.gz	YMLTYVPXMCRCOU-ZWNOBZJWSA-N	-1	0	314.345	0.869	20	30		DCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC001558111367	1012322366	/nfs/dbraw/zinc/32/23/66/1012322366.db2.gz	YQKITVRRSWCNSI-VIFPVBQESA-N	-1	0	304.306	0.493	20	30		DCEDRM
N#Cc1cn(CCNC(=O)OCC(F)(F)F)c(=O)[n-]c1=O	ZINC001424403659	1012472010	/nfs/dbraw/zinc/47/20/10/1012472010.db2.gz	DQWOPXFGHYUGNT-UHFFFAOYSA-N	-1	0	306.200	0.109	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(C#N)ccn2)cn1	ZINC001459111596	1012580122	/nfs/dbraw/zinc/58/01/22/1012580122.db2.gz	XGIZZCRRQNYJLJ-UHFFFAOYSA-N	-1	0	317.330	0.972	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@](C)(CNC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001459502318	1012755048	/nfs/dbraw/zinc/75/50/48/1012755048.db2.gz	JOWRTANCALGMOF-VFZGTOFNSA-N	-1	0	319.365	0.552	20	30		DCEDRM
COC(=O)c1cc(C#N)ccc1S(=O)(=O)[N-]N1CCCC1=O	ZINC001475565074	1017120306	/nfs/dbraw/zinc/12/03/06/1017120306.db2.gz	QQFBHBSAOGWBMZ-UHFFFAOYSA-N	-1	0	323.330	0.161	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(OCC(N)=O)cc1	ZINC001516660516	1017154113	/nfs/dbraw/zinc/15/41/13/1017154113.db2.gz	ZDBSOZWRBFMFEU-GFCCVEGCSA-N	-1	0	301.302	0.152	20	30		DCEDRM
COCC#CCN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C(C)(C)C1	ZINC001506735749	1017489658	/nfs/dbraw/zinc/48/96/58/1017489658.db2.gz	CYRLCLWGRTYDIK-GFCCVEGCSA-N	-1	0	320.393	0.514	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](CNC(=O)C#CC3CC3)C2)c1[O-]	ZINC001495168581	1018370615	/nfs/dbraw/zinc/37/06/15/1018370615.db2.gz	YNBQFNSGAHAXPI-LBPRGKRZSA-N	-1	0	316.361	0.415	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001494203994	1020073843	/nfs/dbraw/zinc/07/38/43/1020073843.db2.gz	SBSUSHRRDHMLRS-GARJFASQSA-N	-1	0	322.365	0.392	20	30		DCEDRM
N#CC1(NC(=O)CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)CCC1	ZINC001608177064	1170610307	/nfs/dbraw/zinc/61/03/07/1170610307.db2.gz	KWOKKRHCTKIUNN-LBPRGKRZSA-N	-1	0	319.283	0.888	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC(F)(F)CO)c(C(=O)[O-])c1	ZINC001608211646	1170616293	/nfs/dbraw/zinc/61/62/93/1170616293.db2.gz	FSHYWJPFGZFXOI-UHFFFAOYSA-N	-1	0	320.273	0.162	20	30		DCEDRM
O=C([O-])[C@@]1(NC(=O)c2cccc(C#CCO)c2)CCSC1	ZINC001608406732	1170671261	/nfs/dbraw/zinc/67/12/61/1170671261.db2.gz	YWYNDFYMQIFMOF-OAHLLOKOSA-N	-1	0	305.355	0.721	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001609057884	1170794563	/nfs/dbraw/zinc/79/45/63/1170794563.db2.gz	IQILHMHVSLCSSJ-UTUOFQBUSA-N	-1	0	301.364	0.294	20	30		DCEDRM
CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C#N)cc2)C1=O	ZINC000298642865	529414969	/nfs/dbraw/zinc/41/49/69/529414969.db2.gz	FWTMZPIZVOAHFA-ZDUSSCGKSA-N	-1	0	322.346	0.472	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1C(N)=O	ZINC000427314889	240356830	/nfs/dbraw/zinc/35/68/30/240356830.db2.gz	LHULRUOEUJAKLF-UHFFFAOYSA-N	-1	0	320.334	0.193	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2cc(Cl)cnc2N)n1	ZINC000164797122	291247489	/nfs/dbraw/zinc/24/74/89/291247489.db2.gz	XOAURZJIIMVULY-UHFFFAOYSA-N	-1	0	312.742	0.723	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000566284075	291290957	/nfs/dbraw/zinc/29/09/57/291290957.db2.gz	SCRONKYBJDLOOS-SECBINFHSA-N	-1	0	300.322	0.740	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000422686695	240177018	/nfs/dbraw/zinc/17/70/18/240177018.db2.gz	UQQCGWPJOAIFNK-HNNXBMFYSA-N	-1	0	319.292	0.959	20	30		DCEDRM
N#Cc1cccc(/C=C/C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1	ZINC000491828147	241137449	/nfs/dbraw/zinc/13/74/49/241137449.db2.gz	NFUQAYZXJYVCNH-IHVVCDCBSA-N	-1	0	306.343	0.806	20	30		DCEDRM
COCC[C@@H](NS(=O)(=O)c1cccc(C)c1C#N)C(=O)[O-]	ZINC000275093739	212115995	/nfs/dbraw/zinc/11/59/95/212115995.db2.gz	POKWOSSAEFKBRM-LLVKDONJSA-N	-1	0	312.347	0.635	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-]	ZINC000274962753	212044494	/nfs/dbraw/zinc/04/44/94/212044494.db2.gz	VHBBHMSPSAUGNN-SECBINFHSA-N	-1	0	313.331	0.765	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1nc2n(c1C#N)CCS2	ZINC000571909380	291539074	/nfs/dbraw/zinc/53/90/74/291539074.db2.gz	DTOJEHWFQYGYEE-UHFFFAOYSA-N	-1	0	324.391	0.703	20	30		DCEDRM
COCCn1cc(S(=O)(=O)[N-]c2cccc(C#N)n2)cn1	ZINC000572842214	291593499	/nfs/dbraw/zinc/59/34/99/291593499.db2.gz	WIUBDMMTOZKDLO-UHFFFAOYSA-N	-1	0	307.335	0.597	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000263555140	533144655	/nfs/dbraw/zinc/14/46/55/533144655.db2.gz	NTSUDTCGRCFVML-CMPLNLGQSA-N	-1	0	311.363	0.738	20	30		DCEDRM
Cc1ccc2ncc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)c(=O)n2c1	ZINC000026266616	395694324	/nfs/dbraw/zinc/69/43/24/395694324.db2.gz	FLCLUMCAHODIRM-UHFFFAOYSA-N	-1	0	319.284	0.722	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC000043702937	395753775	/nfs/dbraw/zinc/75/37/75/395753775.db2.gz	NPYFFWHJSRMIIT-LBPRGKRZSA-N	-1	0	310.331	0.173	20	30		DCEDRM
CN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1cccc(C#N)c1	ZINC000149366442	395969457	/nfs/dbraw/zinc/96/94/57/395969457.db2.gz	DLZDCQFVEGZWAT-UHFFFAOYSA-N	-1	0	321.296	0.760	20	30		DCEDRM
C[C@@H]1CN(C(=O)COc2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC000262201224	396109489	/nfs/dbraw/zinc/10/94/89/396109489.db2.gz	UYSNHYCUOIPUOK-MFKMUULPSA-N	-1	0	304.302	0.638	20	30		DCEDRM
CCCCCS(=O)(=O)CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000076426912	396203947	/nfs/dbraw/zinc/20/39/47/396203947.db2.gz	PFENYSPUJMWHBG-UHFFFAOYSA-N	-1	0	309.351	0.697	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCC[C@H]1CCCCO1)C(=O)[O-]	ZINC000514837013	396497714	/nfs/dbraw/zinc/49/77/14/396497714.db2.gz	XCIMTEWMMIAAEH-VXGBXAGGSA-N	-1	0	300.355	0.901	20	30		DCEDRM
CN(C)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cn1	ZINC000290925428	396475824	/nfs/dbraw/zinc/47/58/24/396475824.db2.gz	IXMCJPFYEAAJOP-UHFFFAOYSA-N	-1	0	306.351	0.554	20	30		DCEDRM
C=CCn1cc(CNC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)nn1	ZINC000581938667	396594144	/nfs/dbraw/zinc/59/41/44/396594144.db2.gz	OGZPLRMXODZEBB-GHMZBOCLSA-N	-1	0	307.354	0.716	20	30		DCEDRM
C=CCn1cc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)nn1	ZINC000581938670	396594575	/nfs/dbraw/zinc/59/45/75/396594575.db2.gz	OGZPLRMXODZEBB-WDEREUQCSA-N	-1	0	307.354	0.716	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000582420949	396609664	/nfs/dbraw/zinc/60/96/64/396609664.db2.gz	PNVWXFUCICMWLU-GMTAPVOTSA-N	-1	0	303.384	0.508	20	30		DCEDRM
CN(CCS(=O)(=O)c1ccc(C#N)cc1)Cc1n[n-]c(=O)o1	ZINC000595547743	396628981	/nfs/dbraw/zinc/62/89/81/396628981.db2.gz	RLMPIAOSFCTNPW-UHFFFAOYSA-N	-1	0	322.346	0.553	20	30		DCEDRM
CNS(=O)(=O)c1cc(NC(=O)CSCC#N)ccc1[O-]	ZINC000588830703	396694473	/nfs/dbraw/zinc/69/44/73/396694473.db2.gz	NOPOUMOPRKZKAJ-UHFFFAOYSA-N	-1	0	315.376	0.496	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCc1cccc(C(=O)[O-])c1	ZINC000591350075	396905848	/nfs/dbraw/zinc/90/58/48/396905848.db2.gz	HNTDQYGECALCJU-SNVBAGLBSA-N	-1	0	311.363	0.953	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC000600660146	396908589	/nfs/dbraw/zinc/90/85/89/396908589.db2.gz	REDZCFYVEFTIRX-YUMQZZPRSA-N	-1	0	311.310	0.259	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	ZINC000565057158	396915305	/nfs/dbraw/zinc/91/53/05/396915305.db2.gz	YXTMHRZLEMJLSA-GFCCVEGCSA-N	-1	0	319.383	0.032	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC000591568501	396930639	/nfs/dbraw/zinc/93/06/39/396930639.db2.gz	PKKMCSLDOSKABX-XHDPSFHLSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCn1cc(Cl)cn1)C(=O)[O-]	ZINC000630186538	396957172	/nfs/dbraw/zinc/95/71/72/396957172.db2.gz	USUQJDQKNFZCFH-JTQLQIEISA-N	-1	0	301.730	0.699	20	30		DCEDRM
Cn1[n-]c(C(=O)N2CCN(c3cnccc3C#N)CC2)cc1=O	ZINC000597689459	397064077	/nfs/dbraw/zinc/06/40/77/397064077.db2.gz	NXGJCYBTZMXXLD-UHFFFAOYSA-N	-1	0	312.333	0.355	20	30		DCEDRM
CC1(C)C[C@]1(C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597671436	397053464	/nfs/dbraw/zinc/05/34/64/397053464.db2.gz	JYNBRWLVZWTVGM-CYBMUJFWSA-N	-1	0	309.347	0.462	20	30		DCEDRM
COc1ccc(COCCn2c(=O)[n-]cc(C#N)c2=O)cc1	ZINC000592355004	397158683	/nfs/dbraw/zinc/15/86/83/397158683.db2.gz	UNIZHVFCPCSFRR-UHFFFAOYSA-N	-1	0	301.302	0.634	20	30		DCEDRM
C[C@H](NC(=O)C(=O)NCCCC(=O)[O-])c1cccc(C#N)c1	ZINC000592440472	397179558	/nfs/dbraw/zinc/17/95/58/397179558.db2.gz	PRKFZSHVIYIIPT-JTQLQIEISA-N	-1	0	303.318	0.716	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C[C@H]1C(=O)[O-]	ZINC000592427905	397173639	/nfs/dbraw/zinc/17/36/39/397173639.db2.gz	XCFLWPKXOWRNBQ-GPCCPHFNSA-N	-1	0	311.313	0.020	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1C#N	ZINC000386708939	397289611	/nfs/dbraw/zinc/28/96/11/397289611.db2.gz	PGDKYDXJUGEMBH-BXKDBHETSA-N	-1	0	309.347	0.745	20	30		DCEDRM
CC[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC000602110734	397305135	/nfs/dbraw/zinc/30/51/35/397305135.db2.gz	ZYDNXTXMTRYUKF-SNVBAGLBSA-N	-1	0	308.363	0.175	20	30		DCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1	ZINC000577575004	397342235	/nfs/dbraw/zinc/34/22/35/397342235.db2.gz	UAEZSDRAOQTBAV-OLZOCXBDSA-N	-1	0	313.375	0.539	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-]	ZINC000593271538	397346468	/nfs/dbraw/zinc/34/64/68/397346468.db2.gz	IHSCCAOHNYAQGH-NXEZZACHSA-N	-1	0	319.383	0.029	20	30		DCEDRM
C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCC1(F)F	ZINC000602152200	397325237	/nfs/dbraw/zinc/32/52/37/397325237.db2.gz	OJDYFAIYQVRYIY-MRVPVSSYSA-N	-1	0	312.276	0.324	20	30		DCEDRM
CC(C)[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C(C)C	ZINC000602158052	397327847	/nfs/dbraw/zinc/32/78/47/397327847.db2.gz	ANHAIDOMYCGEPL-OCCSQVGLSA-N	-1	0	318.377	0.960	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1	ZINC000609485171	397776233	/nfs/dbraw/zinc/77/62/33/397776233.db2.gz	KTUVTHPYRKHHBC-AWEZNQCLSA-N	-1	0	314.393	0.688	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[C@@H]1C(=O)[O-]	ZINC000276129996	158924943	/nfs/dbraw/zinc/92/49/43/158924943.db2.gz	MPTHPMGTSKEADF-SKDRFNHKSA-N	-1	0	309.347	0.685	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000408481210	160117609	/nfs/dbraw/zinc/11/76/09/160117609.db2.gz	FJUDRDGDEDPTAO-LLVKDONJSA-N	-1	0	311.363	0.525	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)NCCCc2nc(=O)[n-][nH]2)c(F)c1	ZINC000151057230	287031430	/nfs/dbraw/zinc/03/14/30/287031430.db2.gz	PTYUDOKZPURBBK-UHFFFAOYSA-N	-1	0	307.260	0.610	20	30		DCEDRM
CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccccc2C#N)C1	ZINC000021811964	415153187	/nfs/dbraw/zinc/15/31/87/415153187.db2.gz	CCSPKSDLRUHFAP-MNOVXSKESA-N	-1	0	310.331	0.421	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000273051230	415304318	/nfs/dbraw/zinc/30/43/18/415304318.db2.gz	HUKLFCIAUVMNNR-UHFFFAOYSA-N	-1	0	314.319	0.631	20	30		DCEDRM
COC[C@@H](CO)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000280222795	415535425	/nfs/dbraw/zinc/53/54/25/415535425.db2.gz	LAUMPDRSOUCHBN-MRVPVSSYSA-N	-1	0	306.290	0.122	20	30		DCEDRM
CCC[C@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(N)=O	ZINC000343428725	415597233	/nfs/dbraw/zinc/59/72/33/415597233.db2.gz	NAASEEBFZRKICW-VIFPVBQESA-N	-1	0	308.363	0.765	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	ZINC000290981361	415826809	/nfs/dbraw/zinc/82/68/09/415826809.db2.gz	QFDBXIVQKPWHRY-JTQLQIEISA-N	-1	0	317.363	0.116	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2cn3c(n2)CCCC3)n1	ZINC000355252851	415857864	/nfs/dbraw/zinc/85/78/64/415857864.db2.gz	IALNPZADPIPXKE-UHFFFAOYSA-N	-1	0	306.351	0.625	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)C(=O)[N-]OCC2CC2)cc1	ZINC000293536347	415859974	/nfs/dbraw/zinc/85/99/74/415859974.db2.gz	ZFXJMGWLZQBMKV-UHFFFAOYSA-N	-1	0	317.345	0.999	20	30		DCEDRM
CCN(C)C(=O)[C@@H](C)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000356569333	415951539	/nfs/dbraw/zinc/95/15/39/415951539.db2.gz	ULNFOJBVUSKTIP-MRVPVSSYSA-N	-1	0	322.390	0.977	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C2CC2)C1	ZINC000132771337	415934820	/nfs/dbraw/zinc/93/48/20/415934820.db2.gz	AMLXJPFDAYHEAZ-NSHDSACASA-N	-1	0	300.380	0.267	20	30		DCEDRM
N#Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)nc1	ZINC000337747013	416004944	/nfs/dbraw/zinc/00/49/44/416004944.db2.gz	DHYPQFYEGOQHOC-UHFFFAOYSA-N	-1	0	303.299	1.483	20	30		DCEDRM
Cn1nc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(=O)c2ccccc21	ZINC000348757427	416245369	/nfs/dbraw/zinc/24/53/69/416245369.db2.gz	UTDJSBGFRDUWRX-UHFFFAOYSA-N	-1	0	319.284	0.652	20	30		DCEDRM
CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCC#N)c1	ZINC000342130092	416285262	/nfs/dbraw/zinc/28/52/62/416285262.db2.gz	NQEBIOMRUDNESD-UHFFFAOYSA-N	-1	0	310.335	0.270	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000420592880	416419248	/nfs/dbraw/zinc/41/92/48/416419248.db2.gz	ZLJSOMTYPARFCN-SRVKXCTJSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000422892083	416447796	/nfs/dbraw/zinc/44/77/96/416447796.db2.gz	MBCZGQCZFRIWTB-NEPJUHHUSA-N	-1	0	312.366	0.217	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)nc1	ZINC000491636085	416607703	/nfs/dbraw/zinc/60/77/03/416607703.db2.gz	WZKYQAJMJQIPCH-AAEUAGOBSA-N	-1	0	301.346	0.992	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CC[C@H](C)[C@H](C(=O)[O-])C2)nc1	ZINC000491636119	416608917	/nfs/dbraw/zinc/60/89/17/416608917.db2.gz	WZKYQAJMJQIPCH-WCQYABFASA-N	-1	0	301.346	0.992	20	30		DCEDRM
C#C[C@H](CC)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000491663628	416611775	/nfs/dbraw/zinc/61/17/75/416611775.db2.gz	ICVBYCPRLWVBDY-SNVBAGLBSA-N	-1	0	310.375	0.784	20	30		DCEDRM
C#CCN(CC#CC)CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000490866024	416576888	/nfs/dbraw/zinc/57/68/88/416576888.db2.gz	LEZWZDJFRZWYCO-UHFFFAOYSA-N	-1	0	301.371	0.967	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000491736097	416620257	/nfs/dbraw/zinc/62/02/57/416620257.db2.gz	GJEYEAAWOPYRRR-SECBINFHSA-N	-1	0	322.390	0.057	20	30		DCEDRM
N#Cc1ccc(-n2ccc(NC(=O)c3n[nH]c(=O)[n-]3)n2)c(F)c1	ZINC000542101488	416621095	/nfs/dbraw/zinc/62/10/95/416621095.db2.gz	XDMUTEVKVJPVOR-UHFFFAOYSA-N	-1	0	313.252	0.959	20	30		DCEDRM
C=CCCC[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424456840	416648298	/nfs/dbraw/zinc/64/82/98/416648298.db2.gz	XMYIWWQHZIOCRD-GHMZBOCLSA-N	-1	0	318.395	0.624	20	30		DCEDRM
C=CCCS(=O)(=O)N1CCC(O)(C(C)(C)C(=O)[O-])CC1	ZINC000554538059	416708621	/nfs/dbraw/zinc/70/86/21/416708621.db2.gz	IDBHLMHYEYFASA-UHFFFAOYSA-N	-1	0	305.396	0.830	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CCO[C@@H]1C(=C)C)C(=O)[O-]	ZINC000556707305	416715934	/nfs/dbraw/zinc/71/59/34/416715934.db2.gz	AGTACGGEJNSNKK-FRRDWIJNSA-N	-1	0	312.366	0.923	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2cccc3c2OCCO3)n1	ZINC000443416159	416756715	/nfs/dbraw/zinc/75/67/15/416756715.db2.gz	HURWBWPNDIMYIB-UHFFFAOYSA-N	-1	0	320.330	0.864	20	30		DCEDRM
CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000563621496	416885397	/nfs/dbraw/zinc/88/53/97/416885397.db2.gz	AAHQBWPCDVGSDT-JQWIXIFHSA-N	-1	0	303.384	0.794	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]CC1(CC#N)CC1	ZINC000404068424	417117417	/nfs/dbraw/zinc/11/74/17/417117417.db2.gz	GYILRQGFQQOQDS-UHFFFAOYSA-N	-1	0	315.376	0.902	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC000408269028	417152280	/nfs/dbraw/zinc/15/22/80/417152280.db2.gz	HIHXJYPKJGRSIK-LLVKDONJSA-N	-1	0	314.407	0.800	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)C1CC1	ZINC000568889877	417191001	/nfs/dbraw/zinc/19/10/01/417191001.db2.gz	YCQVMUVYBONRNI-KKZNHRDASA-N	-1	0	303.384	0.554	20	30		DCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000570345977	417342796	/nfs/dbraw/zinc/34/27/96/417342796.db2.gz	DXGNIKNMJLZYDL-NSHDSACASA-N	-1	0	316.310	0.417	20	30		DCEDRM
CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)N(CC)C[C@@H](C)C#N	ZINC000573855203	417476280	/nfs/dbraw/zinc/47/62/80/417476280.db2.gz	XVNWPVMCBARMGG-SDDRHHMPSA-N	-1	0	317.411	0.898	20	30		DCEDRM
C=CCN(C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)[C@H](C)COC	ZINC000662912632	417949597	/nfs/dbraw/zinc/94/95/97/417949597.db2.gz	KZBABTVMPAVZGQ-VXGBXAGGSA-N	-1	0	312.366	0.359	20	30		DCEDRM
C=CCN(C(=O)C(=O)Nc1cccnc1C(=O)[O-])[C@@H](C)COC	ZINC000659063624	418052725	/nfs/dbraw/zinc/05/27/25/418052725.db2.gz	BKMGAWFVZZFXPX-JTQLQIEISA-N	-1	0	321.333	0.768	20	30		DCEDRM
C=CCCn1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nn1	ZINC000659782873	418181216	/nfs/dbraw/zinc/18/12/16/418181216.db2.gz	IEBSXNVSYTYLIF-QMTHXVAHSA-N	-1	0	306.322	0.027	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000649238635	418214106	/nfs/dbraw/zinc/21/41/06/418214106.db2.gz	FELIPQYGERVRHR-LBPRGKRZSA-N	-1	0	301.302	0.534	20	30		DCEDRM
C=CCn1cc(C(=O)NCc2nc(C)c(C(=O)[O-])s2)nn1	ZINC000649247935	418215421	/nfs/dbraw/zinc/21/54/21/418215421.db2.gz	RFLRXVDSEPUNDQ-UHFFFAOYSA-N	-1	0	307.335	0.857	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000649678312	418266910	/nfs/dbraw/zinc/26/69/10/418266910.db2.gz	LZVUCMMWQSYVKO-NEPJUHHUSA-N	-1	0	301.306	0.898	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCc1c(C2CC2)cnn1C)C(=O)[O-]	ZINC000656597867	418366391	/nfs/dbraw/zinc/36/63/91/418366391.db2.gz	VXFSYXYYHHBCPJ-LBPRGKRZSA-N	-1	0	322.365	0.753	20	30		DCEDRM
CSc1nc(=O)n(CC(=O)NCc2cccc(C#N)c2)[n-]1	ZINC000355973627	261380457	/nfs/dbraw/zinc/38/04/57/261380457.db2.gz	WGUCVZIWPLYDBX-UHFFFAOYSA-N	-1	0	303.347	0.481	20	30		DCEDRM
C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000355048993	266959695	/nfs/dbraw/zinc/95/96/95/266959695.db2.gz	LONQPHNJJQMVSX-SECBINFHSA-N	-1	0	308.301	0.910	20	30		DCEDRM
N#Cc1ccc(OCCNS(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000195306804	268176159	/nfs/dbraw/zinc/17/61/59/268176159.db2.gz	MRDXSKCZSASDMZ-UHFFFAOYSA-N	-1	0	323.296	0.923	20	30		DCEDRM
N#Cc1ccc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1	ZINC000424472254	268244039	/nfs/dbraw/zinc/24/40/39/268244039.db2.gz	ORDUUVMRKIRWLF-LLVKDONJSA-N	-1	0	323.330	0.274	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccncn2)cn1	ZINC000492699366	268254696	/nfs/dbraw/zinc/25/46/96/268254696.db2.gz	CJFFBYCSBOMZJZ-RQOWECAXSA-N	-1	0	315.314	0.262	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CC2CCC2)C(=O)[O-])cn1	ZINC000530472822	268259263	/nfs/dbraw/zinc/25/92/63/268259263.db2.gz	SHXBHCBBDCGPOB-GFCCVEGCSA-N	-1	0	309.347	0.875	20	30		DCEDRM
N#Cc1cccc(/C=C/C(=O)[N-]S(=O)(=O)N2CCOCC2)c1	ZINC000492056993	268266469	/nfs/dbraw/zinc/26/64/69/268266469.db2.gz	JKNKOJBNWUXXDL-SNAWJCMRSA-N	-1	0	321.358	0.265	20	30		DCEDRM
N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-]	ZINC000548207362	288121135	/nfs/dbraw/zinc/12/11/35/288121135.db2.gz	JGNMRXCBUKJUGN-VIFPVBQESA-N	-1	0	318.738	0.326	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC000548536046	288151438	/nfs/dbraw/zinc/15/14/38/288151438.db2.gz	OWDLSQOMZGLCPO-AAEUAGOBSA-N	-1	0	324.358	0.635	20	30		DCEDRM
Cc1cnn(C[C@@H](NS(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])c1	ZINC000554533428	288326989	/nfs/dbraw/zinc/32/69/89/288326989.db2.gz	VUNBMXSXZPNDGS-SNVBAGLBSA-N	-1	0	324.318	0.088	20	30		DCEDRM
C[C@H]([C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-])C1CC1	ZINC000554678023	288335230	/nfs/dbraw/zinc/33/52/30/288335230.db2.gz	IOQBYBWVBSKWNN-QPUJVOFHSA-N	-1	0	309.347	0.731	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000263481993	297955099	/nfs/dbraw/zinc/95/50/99/297955099.db2.gz	LDGWKPNJCGMWTI-NTZNESFSSA-N	-1	0	315.395	0.509	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000273661764	303170601	/nfs/dbraw/zinc/17/06/01/303170601.db2.gz	FCFNVDGUEKURHH-VIFPVBQESA-N	-1	0	314.294	0.437	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccc(C#N)nc1	ZINC000399480105	331481880	/nfs/dbraw/zinc/48/18/80/331481880.db2.gz	XKWXJQIBXBOXCU-CABZTGNLSA-N	-1	0	311.363	0.977	20	30		DCEDRM
CCCSC[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000569609668	332201065	/nfs/dbraw/zinc/20/10/65/332201065.db2.gz	XAVMNEZZOIPISH-NXEZZACHSA-N	-1	0	323.440	0.651	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](CC(C)(C)C)C(=O)[O-]	ZINC000578538566	332386879	/nfs/dbraw/zinc/38/68/79/332386879.db2.gz	YWZQIRVGKIBDPU-VHSXEESVSA-N	-1	0	305.400	0.944	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@]1(C)C(=O)[O-]	ZINC000578631878	332389814	/nfs/dbraw/zinc/38/98/14/332389814.db2.gz	DHIQPKRKBRUTQL-ZYHUDNBSSA-N	-1	0	303.384	0.652	20	30		DCEDRM
O=C(NCC#CCO)c1nn(-c2ccc(Cl)cc2)cc1[O-]	ZINC000561951755	332521330	/nfs/dbraw/zinc/52/13/30/332521330.db2.gz	SDSLZDWZBYQFSY-UHFFFAOYSA-N	-1	0	305.721	0.957	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	ZINC000569698311	332663443	/nfs/dbraw/zinc/66/34/43/332663443.db2.gz	OOZOHTJRRIVGOS-QWRGUYRKSA-N	-1	0	305.400	0.802	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)N1CCCC[C@H]1C)C(=O)[O-]	ZINC000563078850	333342657	/nfs/dbraw/zinc/34/26/57/333342657.db2.gz	BLGYTYWAMFQXAF-MNOVXSKESA-N	-1	0	306.384	0.351	20	30		DCEDRM
COC(=O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)[C@@H](C)O	ZINC000444201268	338469771	/nfs/dbraw/zinc/46/97/71/338469771.db2.gz	YSOTWFYTZKKJMD-GHMZBOCLSA-N	-1	0	318.395	0.302	20	30		DCEDRM
C[C@@H]1CN(C([O-])=Nc2cccn(C)c2=O)C[C@]2(CCOC2)O1	ZINC000330347148	336173378	/nfs/dbraw/zinc/17/33/78/336173378.db2.gz	HKQOCMISJFQCGH-ABAIWWIYSA-N	-1	0	307.350	0.811	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000582729054	337126397	/nfs/dbraw/zinc/12/63/97/337126397.db2.gz	AIEKUUMWMUHYGL-AWEZNQCLSA-N	-1	0	316.361	0.959	20	30		DCEDRM
Cc1ccccc1CCNC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000584409508	337320835	/nfs/dbraw/zinc/32/08/35/337320835.db2.gz	DIAYEJDQRFCFGY-UHFFFAOYSA-N	-1	0	312.329	0.076	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CCSC)C(=O)[O-]	ZINC000584623420	337375144	/nfs/dbraw/zinc/37/51/44/337375144.db2.gz	ZIPNKNPRKZBUBI-VHSXEESVSA-N	-1	0	323.440	0.509	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1	ZINC000424512684	337845186	/nfs/dbraw/zinc/84/51/86/337845186.db2.gz	VRIFPMLJHHBXPE-RWMBFGLXSA-N	-1	0	321.377	0.898	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000437215099	338303941	/nfs/dbraw/zinc/30/39/41/338303941.db2.gz	JJWXDHUKRHEXLC-ZETCQYMHSA-N	-1	0	323.334	0.216	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000490714335	339838267	/nfs/dbraw/zinc/83/82/67/339838267.db2.gz	OUFVLTXCXVZKKI-UHFFFAOYSA-N	-1	0	318.402	0.681	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000491660142	339871640	/nfs/dbraw/zinc/87/16/40/339871640.db2.gz	NPAQBACEBUUBGO-QWHCGFSZSA-N	-1	0	304.346	0.041	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(N2CCOC2=O)c1	ZINC000496433295	340005317	/nfs/dbraw/zinc/00/53/17/340005317.db2.gz	JQWOWTVHAKWLLC-UHFFFAOYSA-N	-1	0	322.342	0.726	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)OCC)CC1	ZINC000497065203	340019536	/nfs/dbraw/zinc/01/95/36/340019536.db2.gz	RKRXCPAIEZHNDK-UHFFFAOYSA-N	-1	0	316.379	0.324	20	30		DCEDRM
C=C(C)COCCNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC000521869683	340537443	/nfs/dbraw/zinc/53/74/43/340537443.db2.gz	MBRCWZLDPUESPS-UHFFFAOYSA-N	-1	0	314.363	0.959	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2c(c1)N(C)C(=O)CO2	ZINC000528919257	340739122	/nfs/dbraw/zinc/73/91/22/340739122.db2.gz	LRELDANGRAWPBS-LLVKDONJSA-N	-1	0	315.329	0.889	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000540999976	340955341	/nfs/dbraw/zinc/95/53/41/340955341.db2.gz	QQUNSPPRTZCYPH-GRYCIOLGSA-N	-1	0	302.396	0.665	20	30		DCEDRM
CC(C)C[C@H](CNS(=O)(=O)N(C)CCC#N)CC(=O)[O-]	ZINC000547898154	341238995	/nfs/dbraw/zinc/23/89/95/341238995.db2.gz	AROVGQBUAGSTTL-NSHDSACASA-N	-1	0	305.400	0.803	20	30		DCEDRM
C[C@H]1CCC[C@](NS(=O)(=O)N(C)CCC#N)(C(=O)[O-])C1	ZINC000548837625	341277442	/nfs/dbraw/zinc/27/74/42/341277442.db2.gz	IJAMJGNJDLGYRP-CMPLNLGQSA-N	-1	0	303.384	0.700	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CNC(=O)c1ccccc1Cl	ZINC001601069857	1159779917	/nfs/dbraw/zinc/77/99/17/1159779917.db2.gz	RKWAYLKQANWCDZ-UHFFFAOYSA-N	-1	0	309.709	0.507	20	30		DCEDRM
Cc1cc(=NC(=O)N=c2ncn(C(C)(C)C)[n-]2)[nH]n1CCC#N	ZINC000333771601	534024849	/nfs/dbraw/zinc/02/48/49/534024849.db2.gz	XZJQSSHZDIICCQ-UHFFFAOYSA-N	-1	0	316.369	0.940	20	30		DCEDRM
C=CCCN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000276191127	527322203	/nfs/dbraw/zinc/32/22/03/527322203.db2.gz	XBVFYHRDAMIZSX-UHFFFAOYSA-N	-1	0	310.335	0.633	20	30		DCEDRM
CC[C@H](CC#N)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000183795673	529299865	/nfs/dbraw/zinc/29/98/65/529299865.db2.gz	HEFYXBHNWDDJSJ-MRVPVSSYSA-N	-1	0	301.306	0.754	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCCc1nc(C)cs1)C(=O)[O-]	ZINC000684721111	548642683	/nfs/dbraw/zinc/64/26/83/548642683.db2.gz	NDMCEWNQUFICSD-JTQLQIEISA-N	-1	0	313.379	0.949	20	30		DCEDRM
C#CCN(C(=O)c1cccc(C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC000736076200	599738177	/nfs/dbraw/zinc/73/81/77/599738177.db2.gz	BTTBMROVZJGWMB-ZDUSSCGKSA-N	-1	0	321.354	0.647	20	30		DCEDRM
N#CCCCS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000740307862	597024901	/nfs/dbraw/zinc/02/49/01/597024901.db2.gz	CEIMCAITPDAGTF-UHFFFAOYSA-N	-1	0	310.331	0.578	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)[O-])cc1	ZINC000737532986	597495371	/nfs/dbraw/zinc/49/53/71/597495371.db2.gz	XFADRKOEYMLVCU-SECBINFHSA-N	-1	0	313.331	0.781	20	30		DCEDRM
CN(Cc1ccco1)C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820607830	597613510	/nfs/dbraw/zinc/61/35/10/597613510.db2.gz	YDHJGDIRUWYFRD-AWEZNQCLSA-N	-1	0	308.290	0.786	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NCc1ccccc1F	ZINC000819866504	597624664	/nfs/dbraw/zinc/62/46/64/597624664.db2.gz	XRKKWHHYBNPSCZ-HNNXBMFYSA-N	-1	0	322.292	0.990	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](N2CCNC2=O)C1	ZINC000819810904	597636915	/nfs/dbraw/zinc/63/69/15/597636915.db2.gz	HJSPIFSDAUMFNK-YGRLFVJLSA-N	-1	0	308.338	0.007	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](N2CCNC2=O)C1	ZINC000819810901	597636961	/nfs/dbraw/zinc/63/69/61/597636961.db2.gz	HJSPIFSDAUMFNK-HZMBPMFUSA-N	-1	0	308.338	0.007	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](N2CCCCC2=O)C1	ZINC000819811758	597646122	/nfs/dbraw/zinc/64/61/22/597646122.db2.gz	VRYBCRKDXFKWNV-LRDDRELGSA-N	-1	0	321.377	0.994	20	30		DCEDRM
COC(=O)[C@H]1CC12CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000820653659	597647355	/nfs/dbraw/zinc/64/73/55/597647355.db2.gz	QHRZDMXJSQQHNN-QMTHXVAHSA-N	-1	0	308.334	0.793	20	30		DCEDRM
C[C@H]1CN=C(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)S1	ZINC000820251949	597650321	/nfs/dbraw/zinc/65/03/21/597650321.db2.gz	SJYMYDQGWJHYAG-IINYFYTJSA-N	-1	0	324.406	0.626	20	30		DCEDRM
CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000820061272	597655220	/nfs/dbraw/zinc/65/52/20/597655220.db2.gz	CFGCRAUQHWAOIL-ZUZCIYMTSA-N	-1	0	319.365	0.837	20	30		DCEDRM
CN(C)C(=O)c1ccnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000820535194	597659348	/nfs/dbraw/zinc/65/93/48/597659348.db2.gz	IPAXACLCMOXBDR-AWEZNQCLSA-N	-1	0	304.306	0.726	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CN(c2ccccc2)C1=O	ZINC000819833694	597726099	/nfs/dbraw/zinc/72/60/99/597726099.db2.gz	HTEAXPUOSYFGPF-XHDPSFHLSA-N	-1	0	301.302	0.523	20	30		DCEDRM
O=C([O-])CCNN=C1C(=O)Nc2cc(N3CCOCC3)ccc21	ZINC000821524560	597740667	/nfs/dbraw/zinc/74/06/67/597740667.db2.gz	FBBSPUFXSJUXKZ-UHFFFAOYSA-N	-1	0	318.333	0.244	20	30		DCEDRM
O=C([O-])CCNN=C1CCS(=O)(=O)c2ccc(F)cc21	ZINC000821524808	597742717	/nfs/dbraw/zinc/74/27/17/597742717.db2.gz	HCVXUFLRNZRVBW-UHFFFAOYSA-N	-1	0	300.311	0.772	20	30		DCEDRM
N#C[C@H](c1ccccc1)N1CCN(CC(=O)NCC(=O)[O-])CC1	ZINC000821320761	597796244	/nfs/dbraw/zinc/79/62/44/597796244.db2.gz	WXZPNBOPEFBLSW-CQSZACIVSA-N	-1	0	316.361	0.070	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2ccccn2)CC1	ZINC000819822151	598221724	/nfs/dbraw/zinc/22/17/24/598221724.db2.gz	LYNLIRSEICHWPQ-HNNXBMFYSA-N	-1	0	302.334	0.735	20	30		DCEDRM
Cn1nnnc1-c1cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000821315406	598223255	/nfs/dbraw/zinc/22/32/55/598223255.db2.gz	RRAANMHIGJHMPF-CQSZACIVSA-N	-1	0	314.305	0.820	20	30		DCEDRM
CNC(=O)c1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC000820637867	598223487	/nfs/dbraw/zinc/22/34/87/598223487.db2.gz	YDSCIQLLFBSTCF-HNNXBMFYSA-N	-1	0	303.318	0.667	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCN(c2ncccn2)C1	ZINC000819823749	598224438	/nfs/dbraw/zinc/22/44/38/598224438.db2.gz	WRGDXDWFFYGAHG-XHDPSFHLSA-N	-1	0	317.349	0.566	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1	ZINC000819833913	598224627	/nfs/dbraw/zinc/22/46/27/598224627.db2.gz	KGMCWUNNPWMHPY-CABZTGNLSA-N	-1	0	321.299	0.991	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCC(=O)NCc1ccccc1	ZINC000819832755	598225754	/nfs/dbraw/zinc/22/57/54/598225754.db2.gz	CUYCCTXGICFTHG-MRXNPFEDSA-N	-1	0	317.345	0.814	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1cccnc1Cl	ZINC000737704701	598414875	/nfs/dbraw/zinc/41/48/75/598414875.db2.gz	IVOKFPUKHXBJTK-UHFFFAOYSA-N	-1	0	301.701	0.614	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC000737605600	599751559	/nfs/dbraw/zinc/75/15/59/599751559.db2.gz	QUIGKWBYEZSPGY-SNVBAGLBSA-N	-1	0	320.301	0.412	20	30		DCEDRM
C[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000736596020	599772572	/nfs/dbraw/zinc/77/25/72/599772572.db2.gz	SWMJCSITJLLRQM-JTQLQIEISA-N	-1	0	324.358	0.310	20	30		DCEDRM
CC(C)(NC(=O)[O-])C(=O)OCC(=O)N(CCC#N)CCC#N	ZINC000736331928	599863190	/nfs/dbraw/zinc/86/31/90/599863190.db2.gz	BILCPWRIZOHBFQ-UHFFFAOYSA-N	-1	0	310.310	0.232	20	30		DCEDRM
COC[C@H](C)NC(=S)NN=Cc1cc(C(=O)[O-])ccc1O	ZINC000737748868	599906328	/nfs/dbraw/zinc/90/63/28/599906328.db2.gz	ORWXRZXRFVLNAS-QMMMGPOBSA-N	-1	0	311.363	0.923	20	30		DCEDRM
C#CCNC(=O)CN1CCN(Cc2cc(C(=O)[O-])c(C)o2)CC1	ZINC000736075862	599964529	/nfs/dbraw/zinc/96/45/29/599964529.db2.gz	IGPXMZXECJAEKP-UHFFFAOYSA-N	-1	0	319.361	0.153	20	30		DCEDRM
C[C@H](C(=O)Nc1ccccc1C#N)N1CCO[C@H](C(=O)[O-])C1	ZINC000736218283	599972338	/nfs/dbraw/zinc/97/23/38/599972338.db2.gz	MKOVDZWLJAWPHA-MFKMUULPSA-N	-1	0	303.318	0.671	20	30		DCEDRM
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCO[C@H](C(=O)[O-])C1	ZINC000736219126	599978172	/nfs/dbraw/zinc/97/81/72/599978172.db2.gz	WMKSKSMCBBGSKM-GWCFXTLKSA-N	-1	0	303.318	0.671	20	30		DCEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1	ZINC000738520935	599998143	/nfs/dbraw/zinc/99/81/43/599998143.db2.gz	SEAAEMGMCKFUQC-LLVKDONJSA-N	-1	0	317.301	0.383	20	30		DCEDRM
C#Cc1ccc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)cn1	ZINC000736092941	600118924	/nfs/dbraw/zinc/11/89/24/600118924.db2.gz	NZFJCIIZIRRDFD-UHFFFAOYSA-N	-1	0	316.313	0.543	20	30		DCEDRM
N#CCc1ccc(NC(=O)COC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC000739091084	600174384	/nfs/dbraw/zinc/17/43/84/600174384.db2.gz	FNNHXLGOSYCZIC-NEPJUHHUSA-N	-1	0	302.286	0.955	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21	ZINC000739077135	600401812	/nfs/dbraw/zinc/40/18/12/600401812.db2.gz	IQFZPCHRMOSWBQ-SNVBAGLBSA-N	-1	0	305.265	0.688	20	30		DCEDRM
CC(=O)N[C@H](CC(=O)N(CC#N)CC(=O)[O-])c1cccs1	ZINC000736145436	600406345	/nfs/dbraw/zinc/40/63/45/600406345.db2.gz	PJZROMWORCJABE-SNVBAGLBSA-N	-1	0	309.347	0.752	20	30		DCEDRM
COCCN(CC(=O)[O-])CC(=O)NCc1ccc(C#N)cc1	ZINC000737778271	600446754	/nfs/dbraw/zinc/44/67/54/600446754.db2.gz	ZXORMLIOYIOPNR-UHFFFAOYSA-N	-1	0	305.334	0.207	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)[C@H]2CCS(=O)(=O)C2)C(=O)[O-])cc1	ZINC000739112334	600608986	/nfs/dbraw/zinc/60/89/86/600608986.db2.gz	YZDOIZVAIGDMAQ-NWDGAFQWSA-N	-1	0	323.326	0.662	20	30		DCEDRM
C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)S(C)(=O)=O	ZINC000736226019	600612570	/nfs/dbraw/zinc/61/25/70/600612570.db2.gz	CWCRXMWFJWFUHR-KWQFWETISA-N	-1	0	311.315	0.660	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(Cl)nc1	ZINC000833067290	600755342	/nfs/dbraw/zinc/75/53/42/600755342.db2.gz	UEUBBUDBALTNFX-UHFFFAOYSA-N	-1	0	303.727	0.475	20	30		DCEDRM
CN(C(=O)CCNC(=O)C1N=CC=CC1=O)C(C)(C)C(=O)[O-]	ZINC000830472511	600928567	/nfs/dbraw/zinc/92/85/67/600928567.db2.gz	SYVISDLRQDTVSB-QXMHVHEDSA-N	-1	0	309.322	0.225	20	30		DCEDRM
N#CCCNC(=O)Cn1nnc(-c2ccc(C(=O)[O-])cc2)n1	ZINC000739076557	600989526	/nfs/dbraw/zinc/98/95/26/600989526.db2.gz	ZKFUORSLYDANAZ-UHFFFAOYSA-N	-1	0	300.278	0.068	20	30		DCEDRM
CCOC(=O)c1ccccc1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000829885363	601002173	/nfs/dbraw/zinc/00/21/73/601002173.db2.gz	LINACEBRQYZQNC-UHFFFAOYSA-N	-1	0	319.317	0.712	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)N[C@H]1CCOc2ccccc21	ZINC000833065670	601003271	/nfs/dbraw/zinc/00/32/71/601003271.db2.gz	FFRUMFILLZAUNY-LBPRGKRZSA-N	-1	0	303.318	0.537	20	30		DCEDRM
Cc1ccccc1C[C@H](C)NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832980963	601004272	/nfs/dbraw/zinc/00/42/72/601004272.db2.gz	RQUQHGSYURSZIM-ZDUSSCGKSA-N	-1	0	303.362	0.952	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1ccc2c(c1)OCCCO2	ZINC000833067089	601004695	/nfs/dbraw/zinc/00/46/95/601004695.db2.gz	OUXIKVXTBZOBSA-UHFFFAOYSA-N	-1	0	319.317	0.697	20	30		DCEDRM
CS(=O)(=O)c1ccc(F)c(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738174901	601020656	/nfs/dbraw/zinc/02/06/56/601020656.db2.gz	FHUBVJDUNCWFJD-UHFFFAOYSA-N	-1	0	314.294	0.280	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000825687262	601176995	/nfs/dbraw/zinc/17/69/95/601176995.db2.gz	HPTTUUZFVKRUGR-ZJUUUORDSA-N	-1	0	312.322	0.432	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)COc1ccc(C#N)cc1	ZINC000262127453	601300400	/nfs/dbraw/zinc/30/04/00/601300400.db2.gz	QDWDWJPGHSPJEC-HNNXBMFYSA-N	-1	0	306.318	0.933	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CCO1	ZINC000819090845	601470763	/nfs/dbraw/zinc/47/07/63/601470763.db2.gz	HPPRVAISYHOTMY-LLVKDONJSA-N	-1	0	317.301	0.003	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)ccc1F	ZINC000833069671	601481783	/nfs/dbraw/zinc/48/17/83/601481783.db2.gz	KUMMNQJYPUJAOI-AWEZNQCLSA-N	-1	0	323.255	0.661	20	30		DCEDRM
C[C@@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)C[C@H]1C(=O)[O-]	ZINC000828361236	601650269	/nfs/dbraw/zinc/65/02/69/601650269.db2.gz	GFJNKAZVANXIEI-ZYHUDNBSSA-N	-1	0	317.349	0.727	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000833067537	601670209	/nfs/dbraw/zinc/67/02/09/601670209.db2.gz	FXLSGEKSYHMIFR-AWEZNQCLSA-N	-1	0	318.329	0.834	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000833068363	601723147	/nfs/dbraw/zinc/72/31/47/601723147.db2.gz	WXRICNABYOEJDC-OAHLLOKOSA-N	-1	0	304.302	0.491	20	30		DCEDRM
C=C[C@H](C)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC000825653480	601763619	/nfs/dbraw/zinc/76/36/19/601763619.db2.gz	MHIHGONHNDXGAD-CABZTGNLSA-N	-1	0	304.302	0.556	20	30		DCEDRM
C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC000825653809	601763658	/nfs/dbraw/zinc/76/36/58/601763658.db2.gz	SLUBJEYDSKUBJB-MRVPVSSYSA-N	-1	0	320.301	0.801	20	30		DCEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCN3C(=O)OC[C@@H]3C2)cc1	ZINC000833070928	602058809	/nfs/dbraw/zinc/05/88/09/602058809.db2.gz	BPCXNUVMRZHVJJ-QWHCGFSZSA-N	-1	0	301.302	0.820	20	30		DCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)COc1cccc2[nH]ccc21	ZINC000833067843	602205574	/nfs/dbraw/zinc/20/55/74/602205574.db2.gz	YXKABTWKAXHOKT-NSHDSACASA-N	-1	0	303.318	0.818	20	30		DCEDRM
CC(C)S(=O)(=O)CCCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000827066372	602288583	/nfs/dbraw/zinc/28/85/83/602288583.db2.gz	OZUKLVZIJMZLPN-UHFFFAOYSA-N	-1	0	312.347	0.631	20	30		DCEDRM
N#Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)[O-]	ZINC000831115079	603108619	/nfs/dbraw/zinc/10/86/19/603108619.db2.gz	ZAPPBYKGFUDFAX-UHFFFAOYSA-N	-1	0	303.727	0.758	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)[O-])c1	ZINC000831152686	603148126	/nfs/dbraw/zinc/14/81/26/603148126.db2.gz	JBKPLIUINQRFMD-LLVKDONJSA-N	-1	0	309.347	0.979	20	30		DCEDRM
C#CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000823844815	607614173	/nfs/dbraw/zinc/61/41/73/607614173.db2.gz	JMHYURUTFYUAJX-UHFFFAOYSA-N	-1	0	322.306	0.077	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CCN1C1CC1	ZINC000739069865	603262492	/nfs/dbraw/zinc/26/24/92/603262492.db2.gz	UQJBFGDKQPWJRY-DGCLKSJQSA-N	-1	0	321.381	0.511	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)C[C@@H](C)NC(=O)[O-])c1	ZINC000823475092	603366130	/nfs/dbraw/zinc/36/61/30/603366130.db2.gz	VHBFSMVZWACBNR-SNVBAGLBSA-N	-1	0	303.318	0.769	20	30		DCEDRM
C=CCN(C(=O)C[C@H](C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000823501604	603380977	/nfs/dbraw/zinc/38/09/77/603380977.db2.gz	ZUTGLMHGLLGFIT-VHSXEESVSA-N	-1	0	304.368	0.234	20	30		DCEDRM
CN(c1ncnc2c1cnn2CCC#N)[C@H]1CCN(C(=O)[O-])C1	ZINC000828442097	603522703	/nfs/dbraw/zinc/52/27/03/603522703.db2.gz	YUNUTGGNXDDKAP-JTQLQIEISA-N	-1	0	315.337	0.928	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc2c1OCO2	ZINC000831091472	603589696	/nfs/dbraw/zinc/58/96/96/603589696.db2.gz	FPNORFPNKAJMBE-SECBINFHSA-N	-1	0	303.274	0.743	20	30		DCEDRM
COc1ccccc1OCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000829644937	603592150	/nfs/dbraw/zinc/59/21/50/603592150.db2.gz	WSUZPSDCVZEBED-LLVKDONJSA-N	-1	0	319.317	0.788	20	30		DCEDRM
Cc1nccn1CCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830823845	603594147	/nfs/dbraw/zinc/59/41/47/603594147.db2.gz	IKGMPUBWGMHWKQ-GFCCVEGCSA-N	-1	0	305.338	0.686	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CC1	ZINC000831102553	603688063	/nfs/dbraw/zinc/68/80/63/603688063.db2.gz	NIEWJVDIHZVATK-CHWSQXEVSA-N	-1	0	308.382	0.774	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1Cc1cnn(-c2ccccc2)n1	ZINC000831092761	603726940	/nfs/dbraw/zinc/72/69/40/603726940.db2.gz	YECRUTAZJNWIGQ-AWEZNQCLSA-N	-1	0	312.333	0.955	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)C(C)(C)CNC(=O)[O-]	ZINC000824058346	603749225	/nfs/dbraw/zinc/74/92/25/603749225.db2.gz	YYAOVDZFHZFTGH-AWEZNQCLSA-N	-1	0	313.354	0.878	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C(C)(C)CNC(=O)[O-]	ZINC000823506779	603749982	/nfs/dbraw/zinc/74/99/82/603749982.db2.gz	MBEXVHPAMHWRBL-MRVPVSSYSA-N	-1	0	315.326	0.224	20	30		DCEDRM
CN(C(=O)[O-])[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1	ZINC000827829491	603769057	/nfs/dbraw/zinc/76/90/57/603769057.db2.gz	KOONUGABAASHDX-LBPRGKRZSA-N	-1	0	316.317	0.707	20	30		DCEDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCN(CC#N)CC1	ZINC000826101764	603820152	/nfs/dbraw/zinc/82/01/52/603820152.db2.gz	QBZLWRUOPVICHO-GHMZBOCLSA-N	-1	0	310.354	0.158	20	30		DCEDRM
CN(C(=O)[O-])[C@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000827875808	603843883	/nfs/dbraw/zinc/84/38/83/603843883.db2.gz	ILNHQUHKHCGHTF-STQMWFEESA-N	-1	0	302.334	0.769	20	30		DCEDRM
C=CCCCC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1	ZINC000823496006	603864891	/nfs/dbraw/zinc/86/48/91/603864891.db2.gz	CEEYODUUKWGVFE-GFCCVEGCSA-N	-1	0	311.382	0.965	20	30		DCEDRM
C[C@@]1(C(=O)NCCNc2ccc(C#N)cn2)CCN(C(=O)[O-])C1	ZINC000825662928	603875033	/nfs/dbraw/zinc/87/50/33/603875033.db2.gz	IGQBGNOOUJXQTO-OAHLLOKOSA-N	-1	0	317.349	0.871	20	30		DCEDRM
Cc1cc(CS(=O)(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)no1	ZINC000830044064	603918547	/nfs/dbraw/zinc/91/85/47/603918547.db2.gz	CMRLRLYNDXKHMC-JTQLQIEISA-N	-1	0	314.323	0.001	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)cn1	ZINC000831132153	603952210	/nfs/dbraw/zinc/95/22/10/603952210.db2.gz	OMJFAZVATVNJQR-LLVKDONJSA-N	-1	0	317.349	0.553	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCCc2n[nH]cc21	ZINC000831076402	604000282	/nfs/dbraw/zinc/00/02/82/604000282.db2.gz	LWSLORKSUJNWEE-VHSXEESVSA-N	-1	0	303.322	0.544	20	30		DCEDRM
C#CCNC(=O)COC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823456718	604024374	/nfs/dbraw/zinc/02/43/74/604024374.db2.gz	PYNDRDRALIJMCZ-BXUZGUMPSA-N	-1	0	318.329	0.924	20	30		DCEDRM
COc1cccc(OCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000829576777	604077836	/nfs/dbraw/zinc/07/78/36/604077836.db2.gz	UIHCJGSLQRQSIP-NSHDSACASA-N	-1	0	319.317	0.788	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1COc2ccccc21	ZINC000831076747	604083493	/nfs/dbraw/zinc/08/34/93/604083493.db2.gz	RWNAOZHHKIZOBY-ZYHUDNBSSA-N	-1	0	301.302	0.877	20	30		DCEDRM
C[C@H](OC(=O)[C@]1(C)CCN(C(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000825535769	604113126	/nfs/dbraw/zinc/11/31/26/604113126.db2.gz	NQHIMQUOPFFMDP-IINYFYTJSA-N	-1	0	311.338	0.680	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])c1	ZINC000823474786	604192488	/nfs/dbraw/zinc/19/24/88/604192488.db2.gz	RAMSJZZKMKAOLU-ZDUSSCGKSA-N	-1	0	315.329	0.865	20	30		DCEDRM
COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000828950432	604219369	/nfs/dbraw/zinc/21/93/69/604219369.db2.gz	IPXSRZFFUUQBAB-HBNTYKKESA-N	-1	0	311.338	0.284	20	30		DCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000824368210	604220891	/nfs/dbraw/zinc/22/08/91/604220891.db2.gz	KQKAHJYAGDGUDK-GHMZBOCLSA-N	-1	0	311.338	0.379	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)Cc1ccccc1	ZINC000831091286	604244535	/nfs/dbraw/zinc/24/45/35/604244535.db2.gz	ANJJHKDYMKTCPV-GFCCVEGCSA-N	-1	0	309.347	0.704	20	30		DCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000827016586	604400253	/nfs/dbraw/zinc/40/02/53/604400253.db2.gz	PZWHLLPGGSLACD-WFASDCNBSA-N	-1	0	311.382	0.605	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)nc1	ZINC000829979019	604495802	/nfs/dbraw/zinc/49/58/02/604495802.db2.gz	VXCSOPJLVAWERM-LLVKDONJSA-N	-1	0	313.335	0.063	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCO1	ZINC000825346508	604617330	/nfs/dbraw/zinc/61/73/30/604617330.db2.gz	YFBWXSSOLCYACS-ITDIGPHOSA-N	-1	0	324.381	0.152	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)CCO1	ZINC000825308414	604669448	/nfs/dbraw/zinc/66/94/48/604669448.db2.gz	FUMOEYIQQJKLLB-RISCZKNCSA-N	-1	0	317.345	0.984	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823495940	604720406	/nfs/dbraw/zinc/72/04/06/604720406.db2.gz	AUQXRARJMWMDCJ-IJLUTSLNSA-N	-1	0	300.355	0.851	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc(C#N)nc2)CCO1	ZINC000825335929	604728354	/nfs/dbraw/zinc/72/83/54/604728354.db2.gz	PVVHQZZALFMCJP-BXKDBHETSA-N	-1	0	304.306	0.450	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000829939533	604733712	/nfs/dbraw/zinc/73/37/12/604733712.db2.gz	MOAMTMXCDKTWEU-LBPRGKRZSA-N	-1	0	319.313	0.715	20	30		DCEDRM
C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCN1C(=O)[O-]	ZINC000825956297	604816456	/nfs/dbraw/zinc/81/64/56/604816456.db2.gz	RILJBXNAJMXZIX-LLVKDONJSA-N	-1	0	316.313	0.978	20	30		DCEDRM
C=C(C)COCCNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823480685	604840628	/nfs/dbraw/zinc/84/06/28/604840628.db2.gz	KYTVHTOQDFCHEI-NWDGAFQWSA-N	-1	0	315.370	0.646	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)CN(CC(=O)[O-])C2CC2)CC1	ZINC000833467487	605043155	/nfs/dbraw/zinc/04/31/55/605043155.db2.gz	WJRTULRPFLEXJQ-AWEZNQCLSA-N	-1	0	322.409	0.228	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000833369692	605060187	/nfs/dbraw/zinc/06/01/87/605060187.db2.gz	CWGSVCJWTUUOSC-MRVPVSSYSA-N	-1	0	305.377	0.909	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000829839740	605214661	/nfs/dbraw/zinc/21/46/61/605214661.db2.gz	QZXXQXOXNJFFMF-LLVKDONJSA-N	-1	0	316.317	0.674	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1sccc1C#N)C(=O)[O-]	ZINC000833492693	605248572	/nfs/dbraw/zinc/24/85/72/605248572.db2.gz	OZDQQVPCGRVNMP-JTQLQIEISA-N	-1	0	323.374	0.965	20	30		DCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000824368617	605345943	/nfs/dbraw/zinc/34/59/43/605345943.db2.gz	OBRVASMKZKZVKJ-VHSXEESVSA-N	-1	0	313.379	0.705	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC2(NC(=O)[O-])CCC2)cn1	ZINC000833977678	605407024	/nfs/dbraw/zinc/40/70/24/605407024.db2.gz	RKGMSPRGOIWEKX-UHFFFAOYSA-N	-1	0	310.335	0.422	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000817880582	605497976	/nfs/dbraw/zinc/49/79/76/605497976.db2.gz	ZXBMMNYKCNDBMV-UHFFFAOYSA-N	-1	0	304.302	0.398	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000833815167	605514894	/nfs/dbraw/zinc/51/48/94/605514894.db2.gz	FGZDHHISMZHXLC-ZJUUUORDSA-N	-1	0	324.362	0.620	20	30		DCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833374884	605609919	/nfs/dbraw/zinc/60/99/19/605609919.db2.gz	LHARSDBWLSWTEN-ZJUUUORDSA-N	-1	0	305.352	0.231	20	30		DCEDRM
COc1cc(NC(=O)Cn2cnc(C#N)n2)ccc1NC(=O)[O-]	ZINC000829158723	605646069	/nfs/dbraw/zinc/64/60/69/605646069.db2.gz	ILXPUEJNJSNGKQ-UHFFFAOYSA-N	-1	0	316.277	0.887	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@@H](O)COCc1ccccc1	ZINC000833966807	605672106	/nfs/dbraw/zinc/67/21/06/605672106.db2.gz	NYTWXHTUMCHEPP-KFWWJZLASA-N	-1	0	319.361	0.656	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000833375537	605674782	/nfs/dbraw/zinc/67/47/82/605674782.db2.gz	DJQXEKNWXQRHRW-UHFFFAOYSA-N	-1	0	310.281	0.781	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)Cn1cnc(C#N)n1	ZINC000825193464	605683422	/nfs/dbraw/zinc/68/34/22/605683422.db2.gz	IVDVDNUVXCIJBG-NXEZZACHSA-N	-1	0	306.326	0.187	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)NC2CCN(C(=O)[O-])CC2)cc1	ZINC000833973238	605833764	/nfs/dbraw/zinc/83/37/64/605833764.db2.gz	MKJGGJLBVOSJDD-CYBMUJFWSA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])cc1	ZINC000833973113	605839648	/nfs/dbraw/zinc/83/96/48/605839648.db2.gz	KIHFAXRDSXQJHC-CHWSQXEVSA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)[O-])CC2)c1	ZINC000833975873	606007150	/nfs/dbraw/zinc/00/71/50/606007150.db2.gz	HIGOKALKMIKRDP-UHFFFAOYSA-N	-1	0	323.374	0.628	20	30		DCEDRM
N#CCCNC(=O)COC(=O)Cc1ccccc1NC(=O)[O-]	ZINC000833965771	606088191	/nfs/dbraw/zinc/08/81/91/606088191.db2.gz	SBOWLUVXUBOOSM-UHFFFAOYSA-N	-1	0	305.290	0.892	20	30		DCEDRM
N#Cc1nc(NC(=O)CC[C@@H]2CCOC2)[n-]c1-c1nn[nH]n1	ZINC000822814234	606286377	/nfs/dbraw/zinc/28/63/77/606286377.db2.gz	CPHNFEVLLHJVII-SSDOTTSWSA-N	-1	0	302.298	0.217	20	30		DCEDRM
CC[C@@H]1CC[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)O1	ZINC000820973523	606848603	/nfs/dbraw/zinc/84/86/03/606848603.db2.gz	XUPMUKVLSTUKFJ-SVRRBLITSA-N	-1	0	302.298	0.358	20	30		DCEDRM
C[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)C1CCOCC1	ZINC000824051691	607927586	/nfs/dbraw/zinc/92/75/86/607927586.db2.gz	CCIIRMWAFJKHTE-SSDOTTSWSA-N	-1	0	316.325	0.463	20	30		DCEDRM
CC#CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C	ZINC000823936945	608102427	/nfs/dbraw/zinc/10/24/27/608102427.db2.gz	AOFUGMJJXKONCA-UHFFFAOYSA-N	-1	0	314.349	0.656	20	30		DCEDRM
C[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CN(CC#N)C1	ZINC000970738319	657852351	/nfs/dbraw/zinc/85/23/51/657852351.db2.gz	VAFAVFDCVOTQQX-MRVPVSSYSA-N	-1	0	301.306	0.502	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CN(C)C(=O)C2CC2)CC1	ZINC000810983099	658133206	/nfs/dbraw/zinc/13/32/06/658133206.db2.gz	HCVFGPBACXVTJO-UHFFFAOYSA-N	-1	0	300.380	0.410	20	30		DCEDRM
C#CCSCC[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000866852261	658634649	/nfs/dbraw/zinc/63/46/49/658634649.db2.gz	BYIYCCSCRHQTHB-UHFFFAOYSA-N	-1	0	303.361	0.711	20	30		DCEDRM
C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000327988814	659410376	/nfs/dbraw/zinc/41/03/76/659410376.db2.gz	KVZBAJYVFKZTGF-UHFFFAOYSA-N	-1	0	324.402	0.927	20	30		DCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1	ZINC000893066797	659716988	/nfs/dbraw/zinc/71/69/88/659716988.db2.gz	FOTLLAYCQLRRIJ-UHFFFAOYSA-N	-1	0	317.411	0.114	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)C[C@@H]3CC=CCC3)C2)c(=O)[n-]c1=O	ZINC000899550819	663152428	/nfs/dbraw/zinc/15/24/28/663152428.db2.gz	FVHRSTMFTPLZBO-LLVKDONJSA-N	-1	0	314.345	0.950	20	30		DCEDRM
C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)C1	ZINC000899929234	663201404	/nfs/dbraw/zinc/20/14/04/663201404.db2.gz	ACAPSPRDSPWPHQ-OLZOCXBDSA-N	-1	0	314.407	0.763	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC000902438889	663414285	/nfs/dbraw/zinc/41/42/85/663414285.db2.gz	ZJFSLKBGPAXIIE-VXGBXAGGSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=CCOCC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC000902748929	663431695	/nfs/dbraw/zinc/43/16/95/663431695.db2.gz	PCGRRIQUUHMAON-LOIXOFCESA-N	-1	0	311.334	0.301	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1	ZINC000905586738	663567397	/nfs/dbraw/zinc/56/73/97/663567397.db2.gz	XVSMEGUVBYASTD-SLEUVZQESA-N	-1	0	312.366	0.995	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(CCC#N)cc1	ZINC000905995905	663594566	/nfs/dbraw/zinc/59/45/66/663594566.db2.gz	CAOOROSOSUTNKW-UHFFFAOYSA-N	-1	0	306.343	0.851	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)[C@H]1CCCO1	ZINC000906934266	663652667	/nfs/dbraw/zinc/65/26/67/663652667.db2.gz	IYMHWUQROPHGEU-NXEZZACHSA-N	-1	0	315.372	0.905	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000907015114	663660472	/nfs/dbraw/zinc/66/04/72/663660472.db2.gz	PHFCCURURFPVKA-SECBINFHSA-N	-1	0	301.345	0.469	20	30		DCEDRM
C#CCCN(CC(F)(F)F)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000907424454	663695355	/nfs/dbraw/zinc/69/53/55/663695355.db2.gz	BYWKYVRJYLPFCA-UHFFFAOYSA-N	-1	0	320.271	0.884	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)c2cc([O-])cc(F)c2)CCO1	ZINC000907496963	663699764	/nfs/dbraw/zinc/69/97/64/663699764.db2.gz	DVXRHVRZUDUVHT-LBPRGKRZSA-N	-1	0	300.311	0.834	20	30		DCEDRM
C=CCC[C@H](NC(=O)NC[C@@H](C)CN1CCOCC1)C(=O)[O-]	ZINC000908913042	663774063	/nfs/dbraw/zinc/77/40/63/663774063.db2.gz	DMDYWVRHUWPDBK-OLZOCXBDSA-N	-1	0	313.398	0.673	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N[C@](C)(COC)C(=O)[O-]	ZINC000908961599	663776720	/nfs/dbraw/zinc/77/67/20/663776720.db2.gz	VTCGNDAUQUWGMU-MRXNPFEDSA-N	-1	0	320.345	0.988	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000908960279	663777097	/nfs/dbraw/zinc/77/70/97/663777097.db2.gz	BFTZCJPNYCINFA-MRXNPFEDSA-N	-1	0	318.329	0.742	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCOC2(CCOCC2)C1	ZINC000909160993	663783302	/nfs/dbraw/zinc/78/33/02/663783302.db2.gz	ZUIRWWLTMNTAMT-LBPRGKRZSA-N	-1	0	312.366	0.997	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@@H](c2nccn2C)C1	ZINC000909229335	663788327	/nfs/dbraw/zinc/78/83/27/663788327.db2.gz	OGYCMTJBBFMMQU-VXGBXAGGSA-N	-1	0	322.365	0.922	20	30		DCEDRM
C=CCO[N-]C(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C	ZINC000909285240	663791779	/nfs/dbraw/zinc/79/17/79/663791779.db2.gz	KXOWYGWBMPZPQC-IINYFYTJSA-N	-1	0	300.355	0.981	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cn1ccc(C(F)F)n1)C(=O)[O-]	ZINC000909765849	663799926	/nfs/dbraw/zinc/79/99/26/663799926.db2.gz	GEFIYSZRFBKALU-SECBINFHSA-N	-1	0	303.265	0.593	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-]	ZINC000910051211	663836918	/nfs/dbraw/zinc/83/69/18/663836918.db2.gz	GQVOIVAHLJMJFC-KBPBESRZSA-N	-1	0	314.341	0.628	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCCNC(=O)c1ccsc1)C(=O)[O-]	ZINC000910053409	663837427	/nfs/dbraw/zinc/83/74/27/663837427.db2.gz	TXZZNJUQBZCRNV-LLVKDONJSA-N	-1	0	308.359	0.851	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)[O-]	ZINC000910052479	663837516	/nfs/dbraw/zinc/83/75/16/663837516.db2.gz	ZCBRIFPLADTTHU-CHWSQXEVSA-N	-1	0	321.377	0.507	20	30		DCEDRM
C#CC[C@H](NC(=O)C1CCN(C(=O)N2CCCC2)CC1)C(=O)[O-]	ZINC000910052249	663837542	/nfs/dbraw/zinc/83/75/42/663837542.db2.gz	QEIJMJCPFGNVJR-ZDUSSCGKSA-N	-1	0	321.377	0.507	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CSC(c2ccccc2O)=N1)C(=O)[O-]	ZINC000910050086	663840844	/nfs/dbraw/zinc/84/08/44/663840844.db2.gz	FDDBRKCVTHDWMH-WDEREUQCSA-N	-1	0	318.354	0.847	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)[O-]	ZINC000910267792	663861834	/nfs/dbraw/zinc/86/18/34/663861834.db2.gz	VIEVOHXLAIHOGA-HUAZRZQGSA-N	-1	0	315.753	0.940	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000910795749	663938642	/nfs/dbraw/zinc/93/86/42/663938642.db2.gz	DTJXOQJTYOWQFU-HBYGRHMLSA-N	-1	0	316.313	0.735	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F	ZINC000912450585	664176850	/nfs/dbraw/zinc/17/68/50/664176850.db2.gz	YRBHTJJGBPIWFZ-CMPLNLGQSA-N	-1	0	303.236	0.478	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]N1C(=O)[C@@H](C)N(C)C1=O	ZINC000912824424	664233541	/nfs/dbraw/zinc/23/35/41/664233541.db2.gz	OYAGNSYERXBVFM-SECBINFHSA-N	-1	0	304.306	0.574	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H](CCSC)c1nnn[n-]1	ZINC000912860694	664238550	/nfs/dbraw/zinc/23/85/50/664238550.db2.gz	UFUVIGGCAJUCNH-QWRGUYRKSA-N	-1	0	308.411	0.208	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1	ZINC000913559035	664637908	/nfs/dbraw/zinc/63/79/08/664637908.db2.gz	CMWNGVJSRKCNCY-AAEUAGOBSA-N	-1	0	314.345	0.949	20	30		DCEDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC#Cc1ccccc1	ZINC000730520918	664784898	/nfs/dbraw/zinc/78/48/98/664784898.db2.gz	LPIIVZQRZJXYHG-UHFFFAOYSA-N	-1	0	307.313	0.239	20	30		DCEDRM
COCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC000732523783	664943452	/nfs/dbraw/zinc/94/34/52/664943452.db2.gz	WYMOCWUNQZLDIX-SNVBAGLBSA-N	-1	0	312.347	0.418	20	30		DCEDRM
C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C	ZINC000993548118	664979763	/nfs/dbraw/zinc/97/97/63/664979763.db2.gz	LZVWHCOSDVEUFH-NXEZZACHSA-N	-1	0	307.354	0.442	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2c(c1)NC(=O)CO2	ZINC000916869699	665098134	/nfs/dbraw/zinc/09/81/34/665098134.db2.gz	NRUBPQKKVPTRGF-LLVKDONJSA-N	-1	0	313.313	0.962	20	30		DCEDRM
N#Cc1cc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c[nH]1	ZINC001002649237	666200304	/nfs/dbraw/zinc/20/03/04/666200304.db2.gz	UACQWPKKVWWYPM-UHFFFAOYSA-N	-1	0	315.337	0.104	20	30		DCEDRM
Cc1c(C(=O)[O-])oc2c1C(=NNCCS(C)(=O)=O)CCC2	ZINC000733205850	666347153	/nfs/dbraw/zinc/34/71/53/666347153.db2.gz	OHWYWGGPLDUBSQ-UHFFFAOYSA-N	-1	0	314.363	0.961	20	30		DCEDRM
CC[C@@H](C#N)Oc1cc(CN=c2nn[n-]n2C)ccc1OC	ZINC000733303996	666474437	/nfs/dbraw/zinc/47/44/37/666474437.db2.gz	VLPSPYJNGXIHKO-NSHDSACASA-N	-1	0	302.338	0.934	20	30		DCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C=NOC)cc1	ZINC000733719269	666807539	/nfs/dbraw/zinc/80/75/39/666807539.db2.gz	YOPZPPHGDGZESR-JTQLQIEISA-N	-1	0	314.363	0.761	20	30		DCEDRM
CC1(NC(=S)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCC1	ZINC000863209501	667117504	/nfs/dbraw/zinc/11/75/04/667117504.db2.gz	LHCOLYIVHNIUCY-UHFFFAOYSA-N	-1	0	319.390	0.494	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000863408353	667140150	/nfs/dbraw/zinc/14/01/50/667140150.db2.gz	OCLPBMXWESUXDL-SSDOTTSWSA-N	-1	0	302.333	0.330	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000863409387	667140527	/nfs/dbraw/zinc/14/05/27/667140527.db2.gz	ZTDOEVLMMMCBMD-LLVKDONJSA-N	-1	0	316.379	0.812	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000863411067	667140749	/nfs/dbraw/zinc/14/07/49/667140749.db2.gz	STOAOTMNCUQIHL-LLVKDONJSA-N	-1	0	314.294	0.408	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000864186994	667222877	/nfs/dbraw/zinc/22/28/77/667222877.db2.gz	BJHPPPRMSHMACU-ZJUUUORDSA-N	-1	0	321.420	0.442	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC000864183940	667223022	/nfs/dbraw/zinc/22/30/22/667223022.db2.gz	UNZICRZBSYLYPC-WPRPVWTQSA-N	-1	0	300.742	0.709	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)C2CN(C(=O)C#CC3CC3)C2)c1[O-]	ZINC001005921133	667461957	/nfs/dbraw/zinc/46/19/57/667461957.db2.gz	ZGLLGXDRVXQVAY-SECBINFHSA-N	-1	0	316.361	0.414	20	30		DCEDRM
CCO[C@H](C(=O)N[C@H]1CCCN(O)C1=O)C1CCOCC1	ZINC000868562525	667581100	/nfs/dbraw/zinc/58/11/00/667581100.db2.gz	GUBZZMPGUCAKMK-RYUDHWBXSA-N	-1	0	300.355	0.315	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000737527238	667616219	/nfs/dbraw/zinc/61/62/19/667616219.db2.gz	GZYLVHGUDCKQSE-OAHLLOKOSA-N	-1	0	318.373	0.987	20	30		DCEDRM
C#CCO[N-]C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000869254874	667642211	/nfs/dbraw/zinc/64/22/11/667642211.db2.gz	SXGGXQSVXZTTNX-OAHLLOKOSA-N	-1	0	323.349	0.823	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@]1(CNC(=O)OC(C)(C)C)CCCOC1	ZINC000869254354	667642381	/nfs/dbraw/zinc/64/23/81/667642381.db2.gz	OBLQNYYJRVTMBW-OAHLLOKOSA-N	-1	0	312.366	0.989	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CC1(C(=O)OCC)CCOCC1	ZINC000870259396	667726359	/nfs/dbraw/zinc/72/63/59/667726359.db2.gz	QLKXERYMKMJXTP-UHFFFAOYSA-N	-1	0	319.379	0.368	20	30		DCEDRM
C#CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)OC	ZINC000841541549	667734940	/nfs/dbraw/zinc/73/49/40/667734940.db2.gz	UOTNYROIVVKTOP-SNVBAGLBSA-N	-1	0	321.276	0.947	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]2CCCO2)CC1	ZINC000870832682	667765007	/nfs/dbraw/zinc/76/50/07/667765007.db2.gz	DEQIZZTUTVJZDY-WDEREUQCSA-N	-1	0	303.380	0.735	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)c1	ZINC000871772324	667848546	/nfs/dbraw/zinc/84/85/46/667848546.db2.gz	OHSLSTWSZURYOY-FRRDWIJNSA-N	-1	0	306.343	0.899	20	30		DCEDRM
Cn1ccnc(N=NCc2cccc(OCC(=O)[O-])c2)c1=O	ZINC000748081037	667918022	/nfs/dbraw/zinc/91/80/22/667918022.db2.gz	SVSJOXQNYAGFIW-UHFFFAOYSA-N	-1	0	302.290	0.690	20	30		DCEDRM
CC(C)(C)NS(=O)(=O)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748410267	667927164	/nfs/dbraw/zinc/92/71/64/667927164.db2.gz	GIPKQBFMGSTVGO-UHFFFAOYSA-N	-1	0	311.363	0.920	20	30		DCEDRM
N#C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CCCCC1	ZINC000748719734	667935725	/nfs/dbraw/zinc/93/57/25/667935725.db2.gz	DAQOQTJDZVZGDX-LBPRGKRZSA-N	-1	0	314.349	0.660	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@H]2CCOC2)CCCC1	ZINC000754006632	668039866	/nfs/dbraw/zinc/03/98/66/668039866.db2.gz	VHKDSBSPNJVQKF-LLVKDONJSA-N	-1	0	300.380	0.943	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnc(O[C@@H]2CCOC2)c1	ZINC000755605022	668062741	/nfs/dbraw/zinc/06/27/41/668062741.db2.gz	XEHCEKNLJOJUDE-CHWSQXEVSA-N	-1	0	315.329	0.874	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2ccncn2)CCCC1	ZINC000755835060	668067556	/nfs/dbraw/zinc/06/75/56/668067556.db2.gz	UVLWALNGIHAKGD-UHFFFAOYSA-N	-1	0	322.390	0.939	20	30		DCEDRM
CCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)COC1	ZINC000756218346	668081870	/nfs/dbraw/zinc/08/18/70/668081870.db2.gz	XLWHFLUFQPAIQM-UHFFFAOYSA-N	-1	0	308.359	0.931	20	30		DCEDRM
CCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)COC1	ZINC000756257361	668083887	/nfs/dbraw/zinc/08/38/87/668083887.db2.gz	SMYMTASGQVPVLT-UHFFFAOYSA-N	-1	0	308.359	0.931	20	30		DCEDRM
COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000758524557	668182004	/nfs/dbraw/zinc/18/20/04/668182004.db2.gz	IGLBVXGCTFVDQC-JTQLQIEISA-N	-1	0	324.358	0.871	20	30		DCEDRM
COc1cc2c(cc1C=Nn1c(=O)c(C)n[n-]c1=S)OCO2	ZINC000758887898	668199656	/nfs/dbraw/zinc/19/96/56/668199656.db2.gz	YCNXRBJXAKSQAW-UHFFFAOYSA-N	-1	0	320.330	0.855	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759147081	668208903	/nfs/dbraw/zinc/20/89/03/668208903.db2.gz	DJONZHOTBHKLGJ-SSDOTTSWSA-N	-1	0	310.272	0.677	20	30		DCEDRM
COC(=O)c1cc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)c[nH]1	ZINC000761805446	668337284	/nfs/dbraw/zinc/33/72/84/668337284.db2.gz	DFODIEVCZDEIAX-ARJAWSKDSA-N	-1	0	303.274	0.497	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C1(C)COC1	ZINC000766980948	668555530	/nfs/dbraw/zinc/55/55/30/668555530.db2.gz	BYTPPVUHXXUKBQ-UHFFFAOYSA-N	-1	0	310.331	0.408	20	30		DCEDRM
O=C([O-])Cn1cc(CN=Nc2c(F)c(F)nc(F)c2F)nn1	ZINC000768483882	668611974	/nfs/dbraw/zinc/61/19/74/668611974.db2.gz	VPVRLXQHGKQMPZ-UHFFFAOYSA-N	-1	0	318.190	0.760	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2CCOCC2)c(F)c1	ZINC000770106873	668678991	/nfs/dbraw/zinc/67/89/91/668678991.db2.gz	PNTHWGXJCRIRBT-LLVKDONJSA-N	-1	0	305.309	0.731	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(c1)nnn2C	ZINC000770869489	668720706	/nfs/dbraw/zinc/72/07/06/668720706.db2.gz	XPUFEKWRAIAGRU-JTQLQIEISA-N	-1	0	308.301	0.907	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(c1)nnn2C	ZINC000770869513	668720781	/nfs/dbraw/zinc/72/07/81/668720781.db2.gz	XPUFEKWRAIAGRU-SNVBAGLBSA-N	-1	0	308.301	0.907	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC000770868411	668720884	/nfs/dbraw/zinc/72/08/84/668720884.db2.gz	JJZPZSUYDMTZAZ-GHMZBOCLSA-N	-1	0	316.361	0.959	20	30		DCEDRM
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000771524994	668742324	/nfs/dbraw/zinc/74/23/24/668742324.db2.gz	MKHACTBPXCXNEO-NXEZZACHSA-N	-1	0	324.358	0.815	20	30		DCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2cccc(OCC#N)c2)c1[O-]	ZINC000771878892	668758513	/nfs/dbraw/zinc/75/85/13/668758513.db2.gz	AKKSIFULFQOAMA-LLVKDONJSA-N	-1	0	303.274	0.577	20	30		DCEDRM
COc1c(O)c(C=NNc2nnc(C)c(=O)[n-]2)ccc1[N+](=O)[O-]	ZINC000773028233	668791660	/nfs/dbraw/zinc/79/16/60/668791660.db2.gz	MSXFWVSQMKEGLI-UHFFFAOYSA-N	-1	0	320.265	0.954	20	30		DCEDRM
C=CCN1C(=O)C(=O)N(CC(=O)[N-]Oc2ccccc2)C1=O	ZINC000773472806	668804208	/nfs/dbraw/zinc/80/42/08/668804208.db2.gz	KNLJZWLLAARQPR-UHFFFAOYSA-N	-1	0	303.274	0.073	20	30		DCEDRM
COC(=O)[C@H](C)n1cccc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC000774573829	668838660	/nfs/dbraw/zinc/83/86/60/668838660.db2.gz	PMXRSFLFYIYNNM-VIFPVBQESA-N	-1	0	321.362	0.653	20	30		DCEDRM
CC(=O)Nc1ccc(CC(=O)[N-]S(=O)(=O)CCCC#N)cc1	ZINC000776114912	668870945	/nfs/dbraw/zinc/87/09/45/668870945.db2.gz	DTEQJMYOHMNLJQ-UHFFFAOYSA-N	-1	0	323.374	0.937	20	30		DCEDRM
COc1c(C(=O)[N-]S(=O)(=O)CCCC#N)c(C)nn1C	ZINC000776116141	668870998	/nfs/dbraw/zinc/87/09/98/668870998.db2.gz	IASOOIPJTBUZEZ-UHFFFAOYSA-N	-1	0	300.340	0.101	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)s1	ZINC000776143401	668871648	/nfs/dbraw/zinc/87/16/48/668871648.db2.gz	FSHGLBBZMDBGKL-UHFFFAOYSA-N	-1	0	315.376	0.456	20	30		DCEDRM
CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776144202	668871920	/nfs/dbraw/zinc/87/19/20/668871920.db2.gz	MEKGOJREWAGVIX-UHFFFAOYSA-N	-1	0	317.411	0.631	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	ZINC000776596918	668878968	/nfs/dbraw/zinc/87/89/68/668878968.db2.gz	KHKDLSGECLXLKB-SNVBAGLBSA-N	-1	0	319.379	0.669	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)NC)cc1	ZINC000777351287	668886542	/nfs/dbraw/zinc/88/65/42/668886542.db2.gz	MOYVNWPJJHKZIE-UHFFFAOYSA-N	-1	0	312.347	0.054	20	30		DCEDRM
C=CCNC(=O)CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O	ZINC000777532414	668888427	/nfs/dbraw/zinc/88/84/27/668888427.db2.gz	UWDJJKMXUJSNSL-UHFFFAOYSA-N	-1	0	318.358	0.656	20	30		DCEDRM
COc1ccc(O)cc1C(=O)/C=C/c1cn(CC(=O)[O-])nn1	ZINC000779710731	668928492	/nfs/dbraw/zinc/92/84/92/668928492.db2.gz	CVRWVDFWCOVPIB-DUXPYHPUSA-N	-1	0	303.274	0.973	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000781502993	669047556	/nfs/dbraw/zinc/04/75/56/669047556.db2.gz	GVPOOGBNXCNRRD-LBPRGKRZSA-N	-1	0	324.358	0.562	20	30		DCEDRM
CCO[C@@H]1C[C@@H]1C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783046821	669141267	/nfs/dbraw/zinc/14/12/67/669141267.db2.gz	NIRGEXCOOXNOHB-WDEREUQCSA-N	-1	0	302.290	0.775	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnc2n[nH]nc2c1	ZINC000783068569	669142095	/nfs/dbraw/zinc/14/20/95/669142095.db2.gz	CDRSJSMRAIDWRR-SNVBAGLBSA-N	-1	0	316.321	0.218	20	30		DCEDRM
CN1CCCC[C@H]1C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783775061	669172941	/nfs/dbraw/zinc/17/29/41/669172941.db2.gz	AOUCSHUMNOIHSC-LBPRGKRZSA-N	-1	0	315.333	0.834	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)CC1(CO)CC1)cc2=O	ZINC000784140842	669192012	/nfs/dbraw/zinc/19/20/12/669192012.db2.gz	VRFOVQUZVFPKMD-UHFFFAOYSA-N	-1	0	302.290	0.512	20	30		DCEDRM
COCCn1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC000784493103	669207449	/nfs/dbraw/zinc/20/74/49/669207449.db2.gz	PZEYNJINPDDABQ-GFCCVEGCSA-N	-1	0	304.350	0.911	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)OCc2cc(=O)n3[n-]cc(C#N)c3n2)CO1	ZINC000784873515	669226355	/nfs/dbraw/zinc/22/63/55/669226355.db2.gz	BVOMYOQMWIZWLY-IUCAKERBSA-N	-1	0	302.290	0.775	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(N)=O)C1	ZINC000786975503	669345131	/nfs/dbraw/zinc/34/51/31/669345131.db2.gz	QGQMZBPSLGXIQC-ZJUUUORDSA-N	-1	0	301.368	0.028	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000787936772	669413939	/nfs/dbraw/zinc/41/39/39/669413939.db2.gz	UYLWBOWZYKKSOH-JTQLQIEISA-N	-1	0	314.294	0.408	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)c2cccn21	ZINC000789468423	669496992	/nfs/dbraw/zinc/49/69/92/669496992.db2.gz	HDXBIHOYJRHCQR-LLVKDONJSA-N	-1	0	309.347	0.755	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnn2)cc1	ZINC000791110777	669594099	/nfs/dbraw/zinc/59/40/99/669594099.db2.gz	XDFIDCFMKINYIC-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)CCC	ZINC000791108737	669594440	/nfs/dbraw/zinc/59/44/40/669594440.db2.gz	MVYYTKCPTGXZLA-NSHDSACASA-N	-1	0	300.380	0.247	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CC(c3cccnc3)=NO2)[n-]c1C#N	ZINC000792231853	669656091	/nfs/dbraw/zinc/65/60/91/669656091.db2.gz	PTNLJLXBBAKWRK-LBPRGKRZSA-N	-1	0	307.273	0.680	20	30		DCEDRM
CC[C@@H](NN=Cc1c(C)nn(CCC(=O)OC)c1C)C(=O)[O-]	ZINC000793058575	669699976	/nfs/dbraw/zinc/69/99/76/669699976.db2.gz	VYWXVPVXBJTYOZ-GFCCVEGCSA-N	-1	0	310.354	0.850	20	30		DCEDRM
COC(=O)c1cc(NN=Cc2cn(CC(=O)[O-])nn2)ccc1C	ZINC000793091070	669701483	/nfs/dbraw/zinc/70/14/83/669701483.db2.gz	ZDIRWCKTLZVLDQ-UHFFFAOYSA-N	-1	0	317.305	0.904	20	30		DCEDRM
N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793193676	669706832	/nfs/dbraw/zinc/70/68/32/669706832.db2.gz	BATPRBWUEQSJEF-UHFFFAOYSA-N	-1	0	319.342	0.952	20	30		DCEDRM
CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793201785	669707626	/nfs/dbraw/zinc/70/76/26/669707626.db2.gz	RBIWMPDZGDBSMY-SNVBAGLBSA-N	-1	0	304.368	0.178	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)c1cc(=O)cc(C(=O)N[C@@H](C#C)CC)[n-]1	ZINC000935630704	669752247	/nfs/dbraw/zinc/75/22/47/669752247.db2.gz	LZFLAOXVXFYGCK-RYUDHWBXSA-N	-1	0	313.357	0.658	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cc(=O)[nH]c(C2CC2)c1	ZINC000187546528	669840512	/nfs/dbraw/zinc/84/05/12/669840512.db2.gz	COOPPVDEGIJVBJ-UHFFFAOYSA-N	-1	0	309.347	0.616	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)COC(F)F)cc1	ZINC000796726797	669940718	/nfs/dbraw/zinc/94/07/18/669940718.db2.gz	FSMJFBWJQKFHJI-UHFFFAOYSA-N	-1	0	304.274	0.743	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn2c1OCCC2	ZINC000796741760	669941668	/nfs/dbraw/zinc/94/16/68/669941668.db2.gz	SNEYHYUXGWROOW-JTQLQIEISA-N	-1	0	306.322	0.141	20	30		DCEDRM
CCc1occc1C([O-])=C(C#N)C(=O)N1CCS(=O)(=O)CC1	ZINC000797554828	669971278	/nfs/dbraw/zinc/97/12/78/669971278.db2.gz	YWLOZXVDOAQNAG-LLVKDONJSA-N	-1	0	324.358	0.421	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)c1ccccc1[N-]S(=O)(=O)CC	ZINC000799075954	670037298	/nfs/dbraw/zinc/03/72/98/670037298.db2.gz	GIBQOCQYQVVRKM-GFCCVEGCSA-N	-1	0	324.402	0.952	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000799075695	670037451	/nfs/dbraw/zinc/03/74/51/670037451.db2.gz	MVALGCAQVHCATJ-SNVBAGLBSA-N	-1	0	305.359	0.885	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000799199692	670048113	/nfs/dbraw/zinc/04/81/13/670048113.db2.gz	CDDDFTFUHGSKPD-LBPRGKRZSA-N	-1	0	301.302	0.534	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000802206337	670157781	/nfs/dbraw/zinc/15/77/81/670157781.db2.gz	HAXXPDZUHXEJIA-JTQLQIEISA-N	-1	0	313.379	0.615	20	30		DCEDRM
CNc1ccc(C#N)cc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000803297082	670242709	/nfs/dbraw/zinc/24/27/09/670242709.db2.gz	MRCCFYYAWZTOGG-UHFFFAOYSA-N	-1	0	323.316	0.623	20	30		DCEDRM
CC[S@](=O)CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000803476459	670250519	/nfs/dbraw/zinc/25/05/19/670250519.db2.gz	XNPLABLLMFWRQJ-LXGOIASLSA-N	-1	0	314.388	0.940	20	30		DCEDRM
CC[S@@](=O)CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000803476458	670250629	/nfs/dbraw/zinc/25/06/29/670250629.db2.gz	XNPLABLLMFWRQJ-GWNMQOMSSA-N	-1	0	314.388	0.940	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-n2cnnn2)cc1	ZINC000193354162	670269040	/nfs/dbraw/zinc/26/90/40/670269040.db2.gz	VNQNYNJNZQOPQD-ZDUSSCGKSA-N	-1	0	310.317	0.607	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000809031804	670437997	/nfs/dbraw/zinc/43/79/97/670437997.db2.gz	KMYJURAVLNHZAJ-UHFFFAOYSA-N	-1	0	318.358	0.913	20	30		DCEDRM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C(=O)O1	ZINC000809382788	670450103	/nfs/dbraw/zinc/45/01/03/670450103.db2.gz	MJIHHZNDJYPMAO-QUBYGPBYSA-N	-1	0	316.285	0.819	20	30		DCEDRM
COC(=O)CCCO[N-]C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000810414892	670484990	/nfs/dbraw/zinc/48/49/90/670484990.db2.gz	GGXGUPIOPHFFBD-UHFFFAOYSA-N	-1	0	323.280	0.637	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)c1ncn(C)n1	ZINC000810585900	670490821	/nfs/dbraw/zinc/49/08/21/670490821.db2.gz	NHGWUBUPGHFCFI-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)NC)cc1	ZINC000810657849	670492928	/nfs/dbraw/zinc/49/29/28/670492928.db2.gz	WRQFWBAZQPZZPE-UHFFFAOYSA-N	-1	0	322.386	0.901	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCOCC(F)(F)C(F)F	ZINC000810773591	670496953	/nfs/dbraw/zinc/49/69/53/670496953.db2.gz	BXALVMFUPSODQY-UHFFFAOYSA-N	-1	0	319.276	0.763	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1C(=O)CC	ZINC000810775770	670497134	/nfs/dbraw/zinc/49/71/34/670497134.db2.gz	SYWGYADLZFFBPO-NSHDSACASA-N	-1	0	300.380	0.247	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(NC(C)=O)c(F)c1	ZINC000810777692	670497214	/nfs/dbraw/zinc/49/72/14/670497214.db2.gz	MJLXBYNCLQYXSP-UHFFFAOYSA-N	-1	0	312.322	0.867	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnc(OCCOC)c1	ZINC000810775676	670497244	/nfs/dbraw/zinc/49/72/44/670497244.db2.gz	PLKGUHAUDJQCDO-UHFFFAOYSA-N	-1	0	312.347	0.190	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CSc1nncn1C(C)C	ZINC000810778563	670497539	/nfs/dbraw/zinc/49/75/39/670497539.db2.gz	DMAIEZCMDVKRMJ-UHFFFAOYSA-N	-1	0	316.408	0.420	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccn(-c2ccccc2)n1	ZINC000810779390	670497552	/nfs/dbraw/zinc/49/75/52/670497552.db2.gz	KUKHWYNRGKTBNQ-UHFFFAOYSA-N	-1	0	317.370	0.884	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc2c(cnn2C)c1OC	ZINC000810783153	670497821	/nfs/dbraw/zinc/49/78/21/670497821.db2.gz	HHTYEYJHXHEESX-UHFFFAOYSA-N	-1	0	322.346	0.060	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C(=O)c1cnn(C(C)(C)C)c1	ZINC000810783537	670497978	/nfs/dbraw/zinc/49/79/78/670497978.db2.gz	UNEKOSSJEFQPOP-UHFFFAOYSA-N	-1	0	311.363	0.290	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810880554	670499719	/nfs/dbraw/zinc/49/97/19/670499719.db2.gz	KUJWEVBQLPFZOW-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
C[C@@H](COc1ccccc1)NN=Cc1cn(CC(=O)[O-])nn1	ZINC000811664443	670541419	/nfs/dbraw/zinc/54/14/19/670541419.db2.gz	DKOOBZQXLYLKFU-NSHDSACASA-N	-1	0	303.322	0.754	20	30		DCEDRM
C#CCO[N-]C(=O)CN1CCc2cc(OC)c(OC)cc2C1	ZINC000812786071	670595642	/nfs/dbraw/zinc/59/56/42/670595642.db2.gz	AUZYKXDUFYRLPX-UHFFFAOYSA-N	-1	0	304.346	0.743	20	30		DCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2cccc(CC#N)c2)cnn1C	ZINC000813952263	670665489	/nfs/dbraw/zinc/66/54/89/670665489.db2.gz	HQXLGKCKYFGMGZ-UHFFFAOYSA-N	-1	0	318.358	0.913	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1	ZINC000813986749	670668971	/nfs/dbraw/zinc/66/89/71/670668971.db2.gz	RFUIOAGOHMHYPC-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000848599490	670701296	/nfs/dbraw/zinc/70/12/96/670701296.db2.gz	KRGLCNIWWPNQDQ-NXEZZACHSA-N	-1	0	319.317	0.753	20	30		DCEDRM
C=CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H](C)COC	ZINC000855371912	670702235	/nfs/dbraw/zinc/70/22/35/670702235.db2.gz	MGMIUTLGNQNMDC-SNVBAGLBSA-N	-1	0	305.338	0.121	20	30		DCEDRM
N#Cc1cnn(CCn2cc(C[N-]C(=O)C(F)(F)F)nn2)c1	ZINC000849136804	670758229	/nfs/dbraw/zinc/75/82/29/670758229.db2.gz	LGEWYYCSWMYWLL-UHFFFAOYSA-N	-1	0	313.243	0.225	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(Cl)nc1	ZINC000849219423	670765968	/nfs/dbraw/zinc/76/59/68/670765968.db2.gz	UUSJDFDNKGQESR-UHFFFAOYSA-N	-1	0	302.739	0.585	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cnccc1C(F)(F)F	ZINC000849219375	670765988	/nfs/dbraw/zinc/76/59/88/670765988.db2.gz	RWNJKIULGWSGAE-UHFFFAOYSA-N	-1	0	322.264	0.809	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)cc1F	ZINC000849219526	670766527	/nfs/dbraw/zinc/76/65/27/670766527.db2.gz	ZWHWRGRKEOJYJC-UHFFFAOYSA-N	-1	0	301.295	0.543	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cnc2n1CCCCC2	ZINC000857016535	670874216	/nfs/dbraw/zinc/87/42/16/670874216.db2.gz	MVXQBHGYJFJKRX-UHFFFAOYSA-N	-1	0	310.379	0.973	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnc2n1CCC2	ZINC000850752470	670938140	/nfs/dbraw/zinc/93/81/40/670938140.db2.gz	OLFQLPSJYUZTDA-LLVKDONJSA-N	-1	0	304.350	0.695	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)cc1C(N)=O	ZINC000850839136	670947628	/nfs/dbraw/zinc/94/76/28/670947628.db2.gz	ZWDQUYWAVQXGFJ-VIFPVBQESA-N	-1	0	309.347	0.449	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)cc1C(N)=O	ZINC000850839135	670947806	/nfs/dbraw/zinc/94/78/06/670947806.db2.gz	ZWDQUYWAVQXGFJ-SECBINFHSA-N	-1	0	309.347	0.449	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])cc1	ZINC000817888651	670950567	/nfs/dbraw/zinc/95/05/67/670950567.db2.gz	OAVGICXDRDBKDQ-LLVKDONJSA-N	-1	0	318.329	0.816	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000850940430	670956495	/nfs/dbraw/zinc/95/64/95/670956495.db2.gz	NMQRHXZEIYJFIO-NSHDSACASA-N	-1	0	313.379	0.207	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC000850954312	670957487	/nfs/dbraw/zinc/95/74/87/670957487.db2.gz	PJYITCXIAVTDGX-IWIIMEHWSA-N	-1	0	322.342	0.264	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](n1cccn1)C(F)(F)F	ZINC000850999372	670960340	/nfs/dbraw/zinc/96/03/40/670960340.db2.gz	CUMWDOYKVKJIAV-SECBINFHSA-N	-1	0	323.296	0.846	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=O)n2CC	ZINC000851000395	670960837	/nfs/dbraw/zinc/96/08/37/670960837.db2.gz	UTUMWKMEIRZUHT-UHFFFAOYSA-N	-1	0	321.358	0.845	20	30		DCEDRM
COC(=O)/C=C\c1ccc(C(=O)[N-]S(=O)(=O)CCC#N)o1	ZINC000851016046	670961392	/nfs/dbraw/zinc/96/13/92/670961392.db2.gz	MCXTUNPQDQCXIB-XQRVVYSFSA-N	-1	0	312.303	0.439	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)C[C@@H](OCC)C1CC1)C(=O)OC	ZINC000859187800	671080220	/nfs/dbraw/zinc/08/02/20/671080220.db2.gz	SZPOGCVQJVJZCS-NWDGAFQWSA-N	-1	0	303.380	0.286	20	30		DCEDRM
COC1(C(=O)[O-])CCN(S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000819100753	671095476	/nfs/dbraw/zinc/09/54/76/671095476.db2.gz	TUZPBUNWRMRLPW-UHFFFAOYSA-N	-1	0	302.352	0.186	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(=O)NCc1ccccc1	ZINC000819833538	671141010	/nfs/dbraw/zinc/14/10/10/671141010.db2.gz	HSDIDTMZNMQEFX-HNNXBMFYSA-N	-1	0	303.318	0.424	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000819970705	671151013	/nfs/dbraw/zinc/15/10/13/671151013.db2.gz	PZDLAWGVWZAGLO-RYUDHWBXSA-N	-1	0	304.350	0.579	20	30		DCEDRM
CCOc1cc(/C=C\C(=O)N[C@H]2CCN(O)C2=O)ccc1O	ZINC000820149412	671171914	/nfs/dbraw/zinc/17/19/14/671171914.db2.gz	OTWCBVWWWDAUIR-QZPNVGJNSA-N	-1	0	306.318	0.910	20	30		DCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cn(C2CC2)nn1	ZINC000860463141	671210958	/nfs/dbraw/zinc/21/09/58/671210958.db2.gz	OELQIZQZJKZWCM-LBPRGKRZSA-N	-1	0	319.365	0.867	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)nn1	ZINC000820593730	671213269	/nfs/dbraw/zinc/21/32/69/671213269.db2.gz	NRIUMYSAEVRIHA-UHFFFAOYSA-N	-1	0	309.351	0.218	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@]1(C2CCCC2)CCNC1=O	ZINC000860631009	671225683	/nfs/dbraw/zinc/22/56/83/671225683.db2.gz	LTWDPNORTBOKCT-CYBMUJFWSA-N	-1	0	300.380	0.315	20	30		DCEDRM
CC1(C)[C@@]2(C)CC[C@]1(C(=O)[N-]S(=O)(=O)CCC#N)OC2=O	ZINC000860753267	671235401	/nfs/dbraw/zinc/23/54/01/671235401.db2.gz	UDQDEHLWPLRJHZ-QWHCGFSZSA-N	-1	0	314.363	0.468	20	30		DCEDRM
CCO[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CC1	ZINC000860785338	671238556	/nfs/dbraw/zinc/23/85/56/671238556.db2.gz	USCREPWSWUOPPR-GFCCVEGCSA-N	-1	0	309.347	0.573	20	30		DCEDRM
Cc1ccc(/C=C/C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)cc1	ZINC000821012183	671245306	/nfs/dbraw/zinc/24/53/06/671245306.db2.gz	FNHGVXFISDLNMS-CMDGGOBGSA-N	-1	0	300.314	0.994	20	30		DCEDRM
COc1cccc(/C=C/C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)c1	ZINC000821012089	671245329	/nfs/dbraw/zinc/24/53/29/671245329.db2.gz	COFBFQYGPKVXFP-BQYQJAHWSA-N	-1	0	316.313	0.694	20	30		DCEDRM
CC(C)[C@H](C(=O)[N-]S(=O)(=O)CCC#N)[NH+]1CCCCC1	ZINC000821582768	671284283	/nfs/dbraw/zinc/28/42/83/671284283.db2.gz	XAVJUGJKJNAOLG-GFCCVEGCSA-N	-1	0	301.412	0.857	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)Cc1cccc(OCC#N)c1	ZINC000821582755	671284471	/nfs/dbraw/zinc/28/44/71/671284471.db2.gz	WTNPHNAIIWORGF-UHFFFAOYSA-N	-1	0	307.331	0.491	20	30		DCEDRM
Cc1nn(C)c2ncc(C(=O)[N-]S(=O)(=O)CCC#N)cc12	ZINC000821582556	671284514	/nfs/dbraw/zinc/28/45/14/671284514.db2.gz	QEZPUZUNCPZYLY-UHFFFAOYSA-N	-1	0	307.335	0.250	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cnn(Cc2ccccc2)c1	ZINC000821584055	671284735	/nfs/dbraw/zinc/28/47/35/671284735.db2.gz	PWYWEEIIRFYTDW-UHFFFAOYSA-N	-1	0	318.358	0.905	20	30		DCEDRM
Cc1nn(C(F)F)c(C)c1CC(=O)[N-]S(=O)(=O)CCC#N	ZINC000821584323	671284819	/nfs/dbraw/zinc/28/48/19/671284819.db2.gz	YQOVKLYVJCCAFD-UHFFFAOYSA-N	-1	0	320.321	0.797	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1ccc2c(c1)COC2	ZINC000821769029	671291653	/nfs/dbraw/zinc/29/16/53/671291653.db2.gz	CCIJXANQAVLONB-UHFFFAOYSA-N	-1	0	323.370	0.703	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F	ZINC000824659767	671435843	/nfs/dbraw/zinc/43/58/43/671435843.db2.gz	LSIFXSUMMUMJMN-YUMQZZPRSA-N	-1	0	301.286	0.833	20	30		DCEDRM
C[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000824937440	671444540	/nfs/dbraw/zinc/44/45/40/671444540.db2.gz	PSUSMNJHFKLPJH-UWVGGRQHSA-N	-1	0	314.353	0.630	20	30		DCEDRM
COc1cc(C#N)ccc1Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000826176792	671481759	/nfs/dbraw/zinc/48/17/59/671481759.db2.gz	DOCWAOMGHRWACN-UHFFFAOYSA-N	-1	0	321.304	0.446	20	30		DCEDRM
C#C[C@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)[C@@H]1CCCO1	ZINC000831038070	671651066	/nfs/dbraw/zinc/65/10/66/671651066.db2.gz	CRIVEDGIOQELJH-RYUDHWBXSA-N	-1	0	310.350	0.348	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1sc(N(C)C)nc1Cl	ZINC000835370885	671794828	/nfs/dbraw/zinc/79/48/28/671794828.db2.gz	BGVZDNZVTIOFDU-UHFFFAOYSA-N	-1	0	321.811	0.945	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cccc(OCC(F)F)n1	ZINC000835409887	671795637	/nfs/dbraw/zinc/79/56/37/671795637.db2.gz	BKUHXDMFRCAOCT-UHFFFAOYSA-N	-1	0	319.289	0.699	20	30		DCEDRM
CN(C)c1cc(C(=O)[N-]S(=O)(=O)CCC#N)cc(Cl)n1	ZINC000835411148	671795915	/nfs/dbraw/zinc/79/59/15/671795915.db2.gz	JOMGYPWGPQKKJM-UHFFFAOYSA-N	-1	0	316.770	0.774	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C(=O)OC	ZINC000837949178	671888577	/nfs/dbraw/zinc/88/85/77/671888577.db2.gz	UPUZGGITTCUYSR-IUCAKERBSA-N	-1	0	322.283	0.371	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COCC(=O)OC(C)(C)C	ZINC000842739999	672033035	/nfs/dbraw/zinc/03/30/35/672033035.db2.gz	KKEWSPTWFSJXQJ-JTQLQIEISA-N	-1	0	321.333	0.670	20	30		DCEDRM
C[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)CCCC#N)c2C1	ZINC000842752122	672034390	/nfs/dbraw/zinc/03/43/90/672034390.db2.gz	HWNDIWNZKGGCRI-SNVBAGLBSA-N	-1	0	310.379	0.829	20	30		DCEDRM
COC(=O)C12CC(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)(C1)C2	ZINC000842752519	672034399	/nfs/dbraw/zinc/03/43/99/672034399.db2.gz	OAVWGFKKZUHFBK-UHFFFAOYSA-N	-1	0	314.363	0.325	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](CC)C(=O)[O-]	ZINC000843048005	672056077	/nfs/dbraw/zinc/05/60/77/672056077.db2.gz	ILZVPTYMEOHWOY-JTQLQIEISA-N	-1	0	304.302	0.617	20	30		DCEDRM
C#C[C@@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F	ZINC000867342817	672142182	/nfs/dbraw/zinc/14/21/82/672142182.db2.gz	DNMZEWNIWWLVKS-ZRNGKTOUSA-N	-1	0	320.367	0.111	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1	ZINC000844814536	672204493	/nfs/dbraw/zinc/20/44/93/672204493.db2.gz	CFQMMFWPJWBIDV-LBPRGKRZSA-N	-1	0	301.364	0.295	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)N2CCCCC2)CC1	ZINC000844822691	672204986	/nfs/dbraw/zinc/20/49/86/672204986.db2.gz	YZVZEGRVHYZMSM-UHFFFAOYSA-N	-1	0	300.380	0.517	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1c(C)nn(CC2CC2)c1C	ZINC000845545932	672259325	/nfs/dbraw/zinc/25/93/25/672259325.db2.gz	TYSCSZGPYQBEGW-UHFFFAOYSA-N	-1	0	323.418	0.922	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(F)cc1C#N	ZINC000846003749	672288330	/nfs/dbraw/zinc/28/83/30/672288330.db2.gz	MQSROWPUMSMMPJ-UHFFFAOYSA-N	-1	0	301.299	0.043	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C(=O)NC)ccc1OC	ZINC000846152467	672297960	/nfs/dbraw/zinc/29/79/60/672297960.db2.gz	UGNJENKKNGPLMN-VIFPVBQESA-N	-1	0	321.333	0.616	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000846547294	672326792	/nfs/dbraw/zinc/32/67/92/672326792.db2.gz	JMVJTUOCRZPOAX-QWRGUYRKSA-N	-1	0	323.374	0.847	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)c1cccs1)n1cnc(C#N)n1	ZINC000798812612	685346312	/nfs/dbraw/zinc/34/63/12/685346312.db2.gz	VNSJTXHVGPISMS-SSDOTTSWSA-N	-1	0	311.348	0.277	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000092465993	685108399	/nfs/dbraw/zinc/10/83/99/685108399.db2.gz	QDXDDOVAQRYFJK-UHFFFAOYSA-N	-1	0	313.335	0.439	20	30		DCEDRM
C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001018175012	693056879	/nfs/dbraw/zinc/05/68/79/693056879.db2.gz	KFKFTDYKXQYNIA-PHIMTYICSA-N	-1	0	312.329	0.850	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CC[C@H](NCC#N)C2)cc1=O	ZINC001019103602	693355969	/nfs/dbraw/zinc/35/59/69/693355969.db2.gz	XGHGYBWZUCUUNG-LBPRGKRZSA-N	-1	0	305.382	0.089	20	30		DCEDRM
C#CCCN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21	ZINC001074219899	694843459	/nfs/dbraw/zinc/84/34/59/694843459.db2.gz	YURGAKPOGANVJO-CHWSQXEVSA-N	-1	0	318.377	0.362	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001570766555	1162617363	/nfs/dbraw/zinc/61/73/63/1162617363.db2.gz	OFZOWZOUFQABMQ-UHFFFAOYSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C#C[C@@H]1CCCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1	ZINC001570816692	1162624337	/nfs/dbraw/zinc/62/43/37/1162624337.db2.gz	FJUWMDYWJWXFKN-LLVKDONJSA-N	-1	0	312.329	0.752	20	30		DCEDRM
CC#CCCCC(=O)NC[C@@H]1CC[C@@H](NC(=O)CNC(=O)[O-])C1	ZINC001573384653	1163419945	/nfs/dbraw/zinc/41/99/45/1163419945.db2.gz	OFQKMDFUAKDIIX-CHWSQXEVSA-N	-1	0	323.393	0.849	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	ZINC001573397220	1163421743	/nfs/dbraw/zinc/42/17/43/1163421743.db2.gz	HULKAWOCMWKLBG-YTWAJWBKSA-N	-1	0	301.368	0.260	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC001573476963	1163445698	/nfs/dbraw/zinc/44/56/98/1163445698.db2.gz	QSMSBPJHILBPCY-ZDUSSCGKSA-N	-1	0	318.395	0.727	20	30		DCEDRM
C[C@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)c1cc(C#N)ccn1	ZINC001573654347	1163522617	/nfs/dbraw/zinc/52/26/17/1163522617.db2.gz	HQCDFQJQXNIDRA-VIFPVBQESA-N	-1	0	311.301	0.892	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC001574012449	1163624571	/nfs/dbraw/zinc/62/45/71/1163624571.db2.gz	LLBSPUHNELYYTJ-RKDXNWHRSA-N	-1	0	319.317	0.274	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H]1c1n[nH]nc1C(=O)[O-]	ZINC001574110977	1163638307	/nfs/dbraw/zinc/63/83/07/1163638307.db2.gz	AZPATTJEAICIHZ-SNVBAGLBSA-N	-1	0	314.305	0.988	20	30		DCEDRM
Cc1cc(C#N)cc(C)c1CC(=O)NCc1nc(C(=O)[O-])n[nH]1	ZINC001574127899	1163643579	/nfs/dbraw/zinc/64/35/79/1163643579.db2.gz	OBRYLHVXMGOGFC-UHFFFAOYSA-N	-1	0	313.317	0.850	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)cs1	ZINC001574240796	1163672246	/nfs/dbraw/zinc/67/22/46/1163672246.db2.gz	AOIKARVNNHIHIP-VXGBXAGGSA-N	-1	0	317.326	0.931	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO	ZINC001574248771	1163673042	/nfs/dbraw/zinc/67/30/42/1163673042.db2.gz	NVPXLVYKUTWMRY-VXGBXAGGSA-N	-1	0	319.317	0.024	20	30		DCEDRM
CC(C)OC1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCC1	ZINC001574296251	1163686817	/nfs/dbraw/zinc/68/68/17/1163686817.db2.gz	BGIGSOSSDQNYCD-UHFFFAOYSA-N	-1	0	316.325	0.748	20	30		DCEDRM
C[C@](O)(CNc1cnc(C#N)c(-c2nnn[n-]2)n1)c1ccccc1	ZINC001575471171	1164025519	/nfs/dbraw/zinc/02/55/19/1164025519.db2.gz	FJZYYHXEVBFBLW-HNNXBMFYSA-N	-1	0	322.332	0.848	20	30		DCEDRM
Cn1ncc2c1CCCN(c1cnc(C#N)c(-c3nnn[n-]3)n1)C2	ZINC001581834068	1165885522	/nfs/dbraw/zinc/88/55/22/1165885522.db2.gz	QQISQBNKBSOIQI-UHFFFAOYSA-N	-1	0	322.336	0.215	20	30		DCEDRM
N#CC1(CC(=O)Nc2nc3n(c2-c2nn[nH]n2)CCS3)CC1	ZINC001581857038	1165888952	/nfs/dbraw/zinc/88/89/52/1165888952.db2.gz	NDPOUXKTIKPWSL-UHFFFAOYSA-N	-1	0	316.350	0.801	20	30		DCEDRM
N#Cc1nc(NC(=O)CCc2cccc(O)c2)[n-]c1-c1nn[nH]n1	ZINC001581860436	1165892017	/nfs/dbraw/zinc/89/20/17/1165892017.db2.gz	ZVBGGFHDULPMDE-UHFFFAOYSA-N	-1	0	324.304	0.738	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccnn2C2CCC2)[n-]c1-c1nn[nH]n1	ZINC001581860469	1165892858	/nfs/dbraw/zinc/89/28/58/1165892858.db2.gz	BMUHYIIBRDABFT-UHFFFAOYSA-N	-1	0	324.308	0.635	20	30		DCEDRM
N#Cc1ncc(N2CCO[C@@H](C(F)F)CC2)nc1-c1nnn[n-]1	ZINC001581882914	1165901508	/nfs/dbraw/zinc/90/15/08/1165901508.db2.gz	LMRKRQWXTDBOAV-MRVPVSSYSA-N	-1	0	322.279	0.389	20	30		DCEDRM
N#Cc1ncc(NC[C@H](CO)c2ccccc2)nc1-c1nnn[n-]1	ZINC001581883287	1165901725	/nfs/dbraw/zinc/90/17/25/1165901725.db2.gz	UYDPPBQXAVXJLE-LLVKDONJSA-N	-1	0	322.332	0.716	20	30		DCEDRM
N#Cc1ncc(NCc2ncc3c(n2)CCC3)nc1-c1nnn[n-]1	ZINC001581884424	1165904060	/nfs/dbraw/zinc/90/40/60/1165904060.db2.gz	ZJOZQRLJIXPBRK-UHFFFAOYSA-N	-1	0	320.320	0.419	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12	ZINC001583438508	1166254003	/nfs/dbraw/zinc/25/40/03/1166254003.db2.gz	CQCRQQBVWSLQNH-UHFFFAOYSA-N	-1	0	324.362	0.465	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001584632389	1166344266	/nfs/dbraw/zinc/34/42/66/1166344266.db2.gz	JGQPBOSFOMJYSC-BMIGLBTASA-N	-1	0	322.365	0.082	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)NCC1(NC(=O)c2cn[nH]n2)CC1	ZINC001585080023	1166397614	/nfs/dbraw/zinc/39/76/14/1166397614.db2.gz	RURFNGYEFQLPTK-AWEZNQCLSA-N	-1	0	321.381	0.412	20	30		DCEDRM
C[C@H]1CC/C(=C\C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001585295759	1166414919	/nfs/dbraw/zinc/41/49/19/1166414919.db2.gz	LLEBNVFHLLEPDR-VUBLIPMDSA-N	-1	0	302.334	0.683	20	30		DCEDRM
C#C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC001588326716	1166524876	/nfs/dbraw/zinc/52/48/76/1166524876.db2.gz	SQWSNMAODHTWRW-LURJTMIESA-N	-1	0	304.335	0.441	20	30		DCEDRM
C#C[C@@H]1CCCC[C@@H]1OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588332801	1166528920	/nfs/dbraw/zinc/52/89/20/1166528920.db2.gz	SKLUSBWDIDPTQD-AXFHLTTASA-N	-1	0	315.337	0.754	20	30		DCEDRM
C=CC(C)(C)CCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588487029	1166557511	/nfs/dbraw/zinc/55/75/11/1166557511.db2.gz	OGYJAVRNVNHMJY-SECBINFHSA-N	-1	0	304.358	0.738	20	30		DCEDRM
C=CCn1cc(CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)nn1	ZINC001588713466	1166580831	/nfs/dbraw/zinc/58/08/31/1166580831.db2.gz	MDQPHOMXDRWNSE-UHFFFAOYSA-N	-1	0	324.348	0.503	20	30		DCEDRM
C=C[C@H](CO)NC(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1	ZINC001588727971	1166581697	/nfs/dbraw/zinc/58/16/97/1166581697.db2.gz	LNWIIQIZPRPASO-SCSAIBSYSA-N	-1	0	315.746	0.645	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)cn1C	ZINC001588718693	1166581718	/nfs/dbraw/zinc/58/17/18/1166581718.db2.gz	QIPCVEHZQBFCRT-PWSUYJOCSA-N	-1	0	302.338	0.669	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)OCc1nc(-c2nn[nH]n2)cs1	ZINC001588726087	1166582088	/nfs/dbraw/zinc/58/20/88/1166582088.db2.gz	SFAXLTVQXXYTST-APPZFPTMSA-N	-1	0	307.335	0.958	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588965785	1166624441	/nfs/dbraw/zinc/62/44/41/1166624441.db2.gz	LDRSHCULEYRSCR-PRHODGIISA-N	-1	0	303.330	0.074	20	30		DCEDRM
CC(C)OCCCN(C)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589747885	1166680407	/nfs/dbraw/zinc/68/04/07/1166680407.db2.gz	IBMMTPXZFVDDGG-UHFFFAOYSA-N	-1	0	302.342	0.780	20	30		DCEDRM
CNC(=O)c1ccc(Cn2c(C)nc(-c3nnn[n-]3)c2C#N)cc1	ZINC001591213302	1167160251	/nfs/dbraw/zinc/16/02/51/1167160251.db2.gz	GKEFQLDKJZVRHX-UHFFFAOYSA-N	-1	0	322.332	0.651	20	30		DCEDRM
Cc1c(-c2nnn[n-]2)c(=O)n(CCCC#N)c(=O)n1C1CC1	ZINC001591793907	1167381677	/nfs/dbraw/zinc/38/16/77/1167381677.db2.gz	ODXAQJHETMDQAH-UHFFFAOYSA-N	-1	0	301.310	0.137	20	30		DCEDRM
Cc1cc(C#N)ccc1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O	ZINC001591906521	1167415193	/nfs/dbraw/zinc/41/51/93/1167415193.db2.gz	NKEPJQBRWWYZMA-UHFFFAOYSA-N	-1	0	309.289	0.357	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)c1cc(C)ccn1	ZINC001592270921	1167480742	/nfs/dbraw/zinc/48/07/42/1167480742.db2.gz	ORHJMMMAFJTEBG-UHFFFAOYSA-N	-1	0	308.305	0.830	20	30		DCEDRM
Cc1[nH]nc(NC(=O)c2ccc(C#N)c([O-])c2)c1-c1nn[nH]n1	ZINC001592332261	1167490270	/nfs/dbraw/zinc/49/02/70/1167490270.db2.gz	CSOYEUWSGCWUMT-UHFFFAOYSA-N	-1	0	310.277	0.728	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1csc(-c2nn[nH]n2)c1	ZINC001592665635	1167591833	/nfs/dbraw/zinc/59/18/33/1167591833.db2.gz	PXTXGOPFMXAIQM-SECBINFHSA-N	-1	0	316.346	0.873	20	30		DCEDRM
N#CC1(NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CCOCC1	ZINC001592671107	1167594659	/nfs/dbraw/zinc/59/46/59/1167594659.db2.gz	FSWKVUYSXJRPHN-UHFFFAOYSA-N	-1	0	314.305	0.375	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cc3ccccn3c2)[n-]c1-c1nn[nH]n1	ZINC001592681555	1167597906	/nfs/dbraw/zinc/59/79/06/1167597906.db2.gz	FTCOHNNLHYFWQO-UHFFFAOYSA-N	-1	0	319.288	0.966	20	30		DCEDRM
N#Cc1ccc(Cn2cc3c(c(-c4nnn[n-]4)c2=O)CCC3)nc1	ZINC001592693574	1167602756	/nfs/dbraw/zinc/60/27/56/1167602756.db2.gz	NKWAXGQRKMUZCQ-UHFFFAOYSA-N	-1	0	319.328	0.832	20	30		DCEDRM
N#Cc1ncc(NCCSCCCO)nc1-c1nnn[n-]1	ZINC001592709720	1167608735	/nfs/dbraw/zinc/60/87/35/1167608735.db2.gz	AZLYSJYNVUGWQH-UHFFFAOYSA-N	-1	0	306.355	0.056	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H](C(=O)[O-])C1	ZINC001598798840	1168040995	/nfs/dbraw/zinc/04/09/95/1168040995.db2.gz	RKOYWCRLTVOPTM-LDYMZIIASA-N	-1	0	305.290	0.365	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)OCCn1cc(C(=O)[O-])nn1	ZINC001600076181	1168112363	/nfs/dbraw/zinc/11/23/63/1168112363.db2.gz	MZFMAQFZEQMASI-UHFFFAOYSA-N	-1	0	301.262	0.408	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])ncc1C#N	ZINC001600243775	1168145781	/nfs/dbraw/zinc/14/57/81/1168145781.db2.gz	NFKGHPWXPPXTPG-NSHDSACASA-N	-1	0	316.317	0.666	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CC(O)(CC#N)C2)ccc1C(=O)[O-]	ZINC001600293509	1168156972	/nfs/dbraw/zinc/15/69/72/1168156972.db2.gz	OFRPQBQNJDGLRK-UHFFFAOYSA-N	-1	0	310.331	0.342	20	30		DCEDRM
Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@@]1(C#N)CCCOC1	ZINC001600779815	1168293913	/nfs/dbraw/zinc/29/39/13/1168293913.db2.gz	ORNFPMIEUBXGJM-OAHLLOKOSA-N	-1	0	320.349	0.521	20	30		DCEDRM
Cn1c(N2CC[C@@](C)(C(=O)[O-])C2)nnc1C1(C#N)CCOCC1	ZINC001600921064	1168508956	/nfs/dbraw/zinc/50/89/56/1168508956.db2.gz	ROLMGMUPOPGCLK-CQSZACIVSA-N	-1	0	319.365	0.688	20	30		DCEDRM
Cn1nc2c(c1C(=O)N(CC#N)CCC(=O)[O-])CSCC2	ZINC001601016903	1168566067	/nfs/dbraw/zinc/56/60/67/1168566067.db2.gz	BLECPEDBAZTBJD-UHFFFAOYSA-N	-1	0	308.363	0.650	20	30		DCEDRM
N#C[C@]1(C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])CCCOC1	ZINC001601050502	1168577519	/nfs/dbraw/zinc/57/75/19/1168577519.db2.gz	RJQHWVGBUNBSLW-CZUORRHYSA-N	-1	0	318.329	0.955	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccsc2)CC1	ZINC001601051051	1168577540	/nfs/dbraw/zinc/57/75/40/1168577540.db2.gz	AHIJIXXELLNCMD-UHFFFAOYSA-N	-1	0	321.358	0.695	20	30		DCEDRM
N#C[C@@]1(F)CCN(CCCN2C(=O)CS/C2=C\C(=O)[O-])C1	ZINC001601056960	1168578105	/nfs/dbraw/zinc/57/81/05/1168578105.db2.gz	GOJNGBJTQLGNKR-GXJZLWQJSA-N	-1	0	313.354	0.815	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)CCCC1	ZINC001601056643	1168578135	/nfs/dbraw/zinc/57/81/35/1168578135.db2.gz	SJMJVLRLPWEGPF-UHFFFAOYSA-N	-1	0	316.317	0.918	20	30		DCEDRM
N#CC[C@@]1(O)CCN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)C1	ZINC001601061943	1168578963	/nfs/dbraw/zinc/57/89/63/1168578963.db2.gz	AEODBNRMVCOTLX-CYBMUJFWSA-N	-1	0	316.379	0.312	20	30		DCEDRM
N#CC1CCC(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1	ZINC001601059950	1168579008	/nfs/dbraw/zinc/57/90/08/1168579008.db2.gz	RYNQLEKRUFYSBK-UHFFFAOYSA-N	-1	0	312.351	0.716	20	30		DCEDRM
N#C[C@H]1CN(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])CCO1	ZINC001601060615	1168579212	/nfs/dbraw/zinc/57/92/12/1168579212.db2.gz	FNLCDKKWCABFJQ-KBPBESRZSA-N	-1	0	317.345	0.864	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)CC2(CC(=O)[O-])CCCC2)CC1	ZINC001601060380	1168579377	/nfs/dbraw/zinc/57/93/77/1168579377.db2.gz	FKNRATVMUNFCRL-UHFFFAOYSA-N	-1	0	321.377	0.996	20	30		DCEDRM
N#CC[C@H](N1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O)C(F)(F)F	ZINC001601062982	1168579598	/nfs/dbraw/zinc/57/95/98/1168579598.db2.gz	WJUACVGVRCDQSO-RNJXMRFFSA-N	-1	0	319.239	0.958	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1	ZINC001601064085	1168579660	/nfs/dbraw/zinc/57/96/60/1168579660.db2.gz	KFMOFXGFCZCWMB-JQWIXIFHSA-N	-1	0	305.334	0.428	20	30		DCEDRM
N#CCCCS(=O)(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001601066916	1168580238	/nfs/dbraw/zinc/58/02/38/1168580238.db2.gz	LUBXREZBEHPZKA-SECBINFHSA-N	-1	0	312.351	0.639	20	30		DCEDRM
N#CCCNC(=O)CN1CCOc2cc(C(=O)[O-])ccc2C1	ZINC001601068406	1168580305	/nfs/dbraw/zinc/58/03/05/1168580305.db2.gz	XYYMCDOSAKJXGU-UHFFFAOYSA-N	-1	0	303.318	0.609	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc(-n2cc[nH]c2=O)c1	ZINC001601071472	1168581082	/nfs/dbraw/zinc/58/10/82/1168581082.db2.gz	MQQHTPGYDBLKKQ-UHFFFAOYSA-N	-1	0	300.274	0.628	20	30		DCEDRM
N#CCNCc1nc2c(s1)CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C2	ZINC001601073615	1168581684	/nfs/dbraw/zinc/58/16/84/1168581684.db2.gz	FFCUJILXHQDEDO-BDAKNGLRSA-N	-1	0	320.374	0.362	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cnn(-c2ccccc2)c1N	ZINC001601072662	1168581743	/nfs/dbraw/zinc/58/17/43/1168581743.db2.gz	ZEVUREFSNMDJAY-UHFFFAOYSA-N	-1	0	313.317	0.895	20	30		DCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H](CF)C(=O)[O-]	ZINC001601089118	1168583663	/nfs/dbraw/zinc/58/36/63/1168583663.db2.gz	PCBUMRYTFFGKHG-JTQLQIEISA-N	-1	0	304.274	0.539	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(Cc2nc(N)c3ccccc3n2)c1=O	ZINC001601087858	1168583703	/nfs/dbraw/zinc/58/37/03/1168583703.db2.gz	PMIGBNWKQSENGI-UHFFFAOYSA-N	-1	0	321.296	0.992	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])nc1	ZINC001601093641	1168584143	/nfs/dbraw/zinc/58/41/43/1168584143.db2.gz	CUAOFUCXSMTKML-MFKMUULPSA-N	-1	0	303.318	0.953	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1	ZINC001601098838	1168584911	/nfs/dbraw/zinc/58/49/11/1168584911.db2.gz	YTCDIOWTURIWKI-OAHLLOKOSA-N	-1	0	302.330	0.785	20	30		DCEDRM
N#Cc1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1Cl	ZINC001601100191	1168585101	/nfs/dbraw/zinc/58/51/01/1168585101.db2.gz	JYOXQQKYOROMNS-UHFFFAOYSA-N	-1	0	319.708	0.818	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)nc1	ZINC001601101898	1168585152	/nfs/dbraw/zinc/58/51/52/1168585152.db2.gz	PGQBSOBBZXABAJ-UHFFFAOYSA-N	-1	0	309.347	0.628	20	30		DCEDRM
N#Cc1ccc(N[C@H]2CCCN(C(=O)COCC(=O)[O-])C2)nc1	ZINC001601108576	1168586048	/nfs/dbraw/zinc/58/60/48/1168586048.db2.gz	QYFDJKVKWNKYMD-LBPRGKRZSA-N	-1	0	318.333	0.457	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)c2cc(C(=O)[O-])ccn2)nc1	ZINC001601107721	1168586182	/nfs/dbraw/zinc/58/61/82/1168586182.db2.gz	GIEDRGJPDRZMIN-UHFFFAOYSA-N	-1	0	311.301	0.888	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])cc1	ZINC001601110073	1168586303	/nfs/dbraw/zinc/58/63/03/1168586303.db2.gz	GMFIXNXQTXBAED-ZDUSSCGKSA-N	-1	0	314.301	0.403	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@]2(C(=O)[O-])CCSC2)nc1	ZINC001601108777	1168586545	/nfs/dbraw/zinc/58/65/45/1168586545.db2.gz	VKJZDLJVDJCVQP-CYBMUJFWSA-N	-1	0	306.347	0.442	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)C2	ZINC001601114530	1168587582	/nfs/dbraw/zinc/58/75/82/1168587582.db2.gz	UQIVPQMBXIXKQA-ZDUSSCGKSA-N	-1	0	320.370	0.810	20	30		DCEDRM
N#Cc1cccc(CC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c1	ZINC001601122958	1168588124	/nfs/dbraw/zinc/58/81/24/1168588124.db2.gz	UOKKWANDMIIVPZ-INIZCTEOSA-N	-1	0	313.313	0.933	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)OCC(=O)NCCC(=O)[O-])c1	ZINC001601124419	1168588496	/nfs/dbraw/zinc/58/84/96/1168588496.db2.gz	JYGYHMKBKRNKKB-QWHCGFSZSA-N	-1	0	316.313	0.796	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CN2CCC[C@H](O)[C@H]2C(=O)[O-])c1	ZINC001601123020	1168588570	/nfs/dbraw/zinc/58/85/70/1168588570.db2.gz	VTIHEQWEBVPOKE-ZFWWWQNUSA-N	-1	0	317.345	0.084	20	30		DCEDRM
N#Cc1cncc(NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CCC2)n1	ZINC001601131177	1168590971	/nfs/dbraw/zinc/59/09/71/1168590971.db2.gz	RTAVESWYXDPVOP-WDEREUQCSA-N	-1	0	315.333	0.520	20	30		DCEDRM
N#Cc1nc(F)ccc1OS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001601134020	1168593138	/nfs/dbraw/zinc/59/31/38/1168593138.db2.gz	DCOBDALLAWQMMH-UHFFFAOYSA-N	-1	0	300.267	0.808	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1NCCn1ccc(=O)[nH]c1=O	ZINC001601134563	1168593472	/nfs/dbraw/zinc/59/34/72/1168593472.db2.gz	HHZSWCFNLZDFPV-UHFFFAOYSA-N	-1	0	301.262	0.026	20	30		DCEDRM
N#Cc1sc(NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nc1Cl	ZINC001601136243	1168594703	/nfs/dbraw/zinc/59/47/03/1168594703.db2.gz	MCCFBRJQWBMFDN-RITPCOANSA-N	-1	0	314.754	0.917	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)n1	ZINC001601136168	1168594902	/nfs/dbraw/zinc/59/49/02/1168594902.db2.gz	JJJUYHLYDAQBOB-SNVBAGLBSA-N	-1	0	318.337	0.046	20	30		DCEDRM
O=C([O-])c1cc(C(=O)NCc2ccc(C(=O)NO)cc2)on1	ZINC001601563459	1168781531	/nfs/dbraw/zinc/78/15/31/1168781531.db2.gz	LMOJIVPESHUNMQ-UHFFFAOYSA-N	-1	0	305.246	0.422	20	30		DCEDRM
O=C([O-])[C@@H](O)C1CCN(C(=O)NCC#Cc2ccccc2)CC1	ZINC001601678846	1168811393	/nfs/dbraw/zinc/81/13/93/1168811393.db2.gz	AMWFBAYJZHLFMA-HNNXBMFYSA-N	-1	0	316.357	0.905	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C(=O)[O-]	ZINC001602687272	1169158224	/nfs/dbraw/zinc/15/82/24/1169158224.db2.gz	LLOXVQRNWBTBAX-SNVBAGLBSA-N	-1	0	308.294	0.391	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001602683259	1169158330	/nfs/dbraw/zinc/15/83/30/1169158330.db2.gz	MZTJPOKWEGORPO-YWPYICTPSA-N	-1	0	310.350	0.157	20	30		DCEDRM
C#CC[C@@H](COC)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001602682588	1169158628	/nfs/dbraw/zinc/15/86/28/1169158628.db2.gz	BTGFOUWMZSCIPY-ZETCQYMHSA-N	-1	0	321.738	0.948	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)C(=O)[O-]	ZINC001602687913	1169159580	/nfs/dbraw/zinc/15/95/80/1169159580.db2.gz	YVYCWRHLRYBOEL-RYUDHWBXSA-N	-1	0	303.318	0.379	20	30		DCEDRM
C#CC[C@H](NC(=O)CCn1cnc2sccc2c1=O)C(=O)[O-]	ZINC001602687800	1169159736	/nfs/dbraw/zinc/15/97/36/1169159736.db2.gz	WHIDAAXOYPBMQT-JTQLQIEISA-N	-1	0	319.342	0.441	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1)C(=O)[O-]	ZINC001602687914	1169159831	/nfs/dbraw/zinc/15/98/31/1169159831.db2.gz	YVYCWRHLRYBOEL-VXGBXAGGSA-N	-1	0	303.318	0.379	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(C(C)(C)C)n2ncnc2n1)C(=O)[O-]	ZINC001602691994	1169162769	/nfs/dbraw/zinc/16/27/69/1169162769.db2.gz	GLOGLMIEBLCPBE-SECBINFHSA-N	-1	0	315.333	0.628	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	ZINC001602700349	1169163821	/nfs/dbraw/zinc/16/38/21/1169163821.db2.gz	VSHMJBJFRUSFRA-FJZAXULXSA-N	-1	0	318.373	0.618	20	30		DCEDRM
C#CCCCS(=O)(=O)N1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001602710456	1169166078	/nfs/dbraw/zinc/16/60/78/1169166078.db2.gz	FYLUVAMMOAHWDU-NDBYEHHHSA-N	-1	0	315.391	0.825	20	30		DCEDRM
C#CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@H](OC)C1	ZINC001602711779	1169167314	/nfs/dbraw/zinc/16/73/14/1169167314.db2.gz	TZHXNPTXGJVHDX-WOPDTQHZSA-N	-1	0	303.380	0.588	20	30		DCEDRM
C#CCN(CC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)OC(C)(C)C	ZINC001602715525	1169167405	/nfs/dbraw/zinc/16/74/05/1169167405.db2.gz	LNDASWLEPUJBJH-XYPYZODXSA-N	-1	0	310.350	0.836	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)COCc2ocnc2C(=O)[O-])C1	ZINC001602720732	1169170335	/nfs/dbraw/zinc/17/03/35/1169170335.db2.gz	FHQJFHWVLPETPF-LLVKDONJSA-N	-1	0	321.333	0.103	20	30		DCEDRM
C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)C1	ZINC001602720398	1169170682	/nfs/dbraw/zinc/17/06/82/1169170682.db2.gz	QAZKFERXZBMAHH-ZDUSSCGKSA-N	-1	0	322.386	0.761	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)CCc2ocnc2C(=O)[O-])C1	ZINC001602720767	1169170742	/nfs/dbraw/zinc/17/07/42/1169170742.db2.gz	GPGFILPXTTZFIR-NSHDSACASA-N	-1	0	305.334	0.519	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001602726545	1169174507	/nfs/dbraw/zinc/17/45/07/1169174507.db2.gz	RHUGGRFMGPMXJH-UWVGGRQHSA-N	-1	0	306.322	0.130	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)CC1	ZINC001602738328	1169175786	/nfs/dbraw/zinc/17/57/86/1169175786.db2.gz	UWKZJPLEBCWGDS-LPWJVIDDSA-N	-1	0	322.361	0.694	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001602747402	1169177800	/nfs/dbraw/zinc/17/78/00/1169177800.db2.gz	QOYPBMZVVZDEAB-BXUZGUMPSA-N	-1	0	320.345	0.644	20	30		DCEDRM
C=C(C)Cn1c([C@H](C)CO)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001602765732	1169180783	/nfs/dbraw/zinc/18/07/83/1169180783.db2.gz	HXYNRTDTLBRUSM-IAQYHMDHSA-N	-1	0	324.381	0.630	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001602762242	1169181554	/nfs/dbraw/zinc/18/15/54/1169181554.db2.gz	AJESYGFZPLJFHU-XQHKEYJVSA-N	-1	0	324.377	0.311	20	30		DCEDRM
C=C(C)Cn1c(COC)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001602768837	1169181616	/nfs/dbraw/zinc/18/16/16/1169181616.db2.gz	OLSSNRTYWAMMDA-MNOVXSKESA-N	-1	0	310.354	0.679	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C(=O)OCC)[C@H]1CCCOC1	ZINC001602777670	1169182704	/nfs/dbraw/zinc/18/27/04/1169182704.db2.gz	APVZMZXTFKICAG-WCQYABFASA-N	-1	0	313.350	0.882	20	30		DCEDRM
C=C(C)Cn1c(C[C@@H](C)O)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001602771058	1169183446	/nfs/dbraw/zinc/18/34/46/1169183446.db2.gz	IVODDSRGYDUQAR-VXGBXAGGSA-N	-1	0	324.381	0.457	20	30		DCEDRM
C=C(C)Cn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1C1(OC)CC1	ZINC001602771256	1169183467	/nfs/dbraw/zinc/18/34/67/1169183467.db2.gz	PYKRNANXPRSBQM-LLVKDONJSA-N	-1	0	322.365	0.780	20	30		DCEDRM
C=C1CCC(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CC1	ZINC001602792155	1169184159	/nfs/dbraw/zinc/18/41/59/1169184159.db2.gz	OQHMVYQFDCOSGJ-STQMWFEESA-N	-1	0	306.362	0.781	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001602812196	1169185734	/nfs/dbraw/zinc/18/57/34/1169185734.db2.gz	CWEXRWZEGNUQQI-HNNXBMFYSA-N	-1	0	306.318	0.767	20	30		DCEDRM
C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C[C@H]2C1	ZINC001602805823	1169186549	/nfs/dbraw/zinc/18/65/49/1169186549.db2.gz	KRZAXHOSXNJFHJ-RNJOBUHISA-N	-1	0	320.389	0.836	20	30		DCEDRM
C=CC[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1	ZINC001602824956	1169187935	/nfs/dbraw/zinc/18/79/35/1169187935.db2.gz	TVNGBQKFWVYFAU-SECBINFHSA-N	-1	0	317.353	0.046	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[nH]n1	ZINC001602826200	1169188051	/nfs/dbraw/zinc/18/80/51/1169188051.db2.gz	CBXWJRCCJIZDSR-UHFFFAOYSA-N	-1	0	307.335	0.638	20	30		DCEDRM
C=C[C@H](OC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)C(=O)[O-]	ZINC001602819950	1169188569	/nfs/dbraw/zinc/18/85/69/1169188569.db2.gz	ATYCLVUZDIDTPE-AVGNSLFASA-N	-1	0	323.345	0.610	20	30		DCEDRM
C=CC[C@@H](OC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-]	ZINC001602850454	1169192465	/nfs/dbraw/zinc/19/24/65/1169192465.db2.gz	VOQYENLPPBBNRM-GFCCVEGCSA-N	-1	0	302.290	0.908	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(CCOC)C1)C(=O)[O-]	ZINC001602862622	1169194292	/nfs/dbraw/zinc/19/42/92/1169194292.db2.gz	GVLOWKFYNAVXQX-NEPJUHHUSA-N	-1	0	312.366	0.407	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2coc(-c3nn[nH]n3)c2)C1=O	ZINC001602862551	1169194558	/nfs/dbraw/zinc/19/45/58/1169194558.db2.gz	JXWXKBCNYHWKRD-SNVBAGLBSA-N	-1	0	316.321	0.319	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC001602880348	1169197846	/nfs/dbraw/zinc/19/78/46/1169197846.db2.gz	LGLOPGAUGPTCGJ-QWRGUYRKSA-N	-1	0	319.379	0.621	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001602881343	1169198273	/nfs/dbraw/zinc/19/82/73/1169198273.db2.gz	QHILOQMABCMGGZ-UTUOFQBUSA-N	-1	0	313.350	0.832	20	30		DCEDRM
C=CCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001602880684	1169198340	/nfs/dbraw/zinc/19/83/40/1169198340.db2.gz	XLEAXVXNJKMNCG-QWRGUYRKSA-N	-1	0	319.379	0.621	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC001602873372	1169198393	/nfs/dbraw/zinc/19/83/93/1169198393.db2.gz	VGVMHAOIRCHGNJ-SNVBAGLBSA-N	-1	0	319.317	0.952	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)[O-])o1	ZINC001602901915	1169201883	/nfs/dbraw/zinc/20/18/83/1169201883.db2.gz	FLGPVPCHOMWLRB-SSDOTTSWSA-N	-1	0	310.262	0.535	20	30		DCEDRM
C=CCO[C@H]1CCN(Cn2nc(C(=O)[O-])cc2C(=O)OC)C1	ZINC001602906728	1169202217	/nfs/dbraw/zinc/20/22/17/1169202217.db2.gz	LLWZVMIKBFOXSL-JTQLQIEISA-N	-1	0	309.322	0.602	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(-c2ccn(C)c2)n[nH]1)C(=O)[O-]	ZINC001602909029	1169202758	/nfs/dbraw/zinc/20/27/58/1169202758.db2.gz	KTQXVULLBRPFDW-ZDUSSCGKSA-N	-1	0	318.333	0.801	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])C(=O)OC	ZINC001602909218	1169202986	/nfs/dbraw/zinc/20/29/86/1169202986.db2.gz	QZSCWKPGFMNBNU-CYBMUJFWSA-N	-1	0	321.329	0.788	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21)C(=O)[O-]	ZINC001602910212	1169203462	/nfs/dbraw/zinc/20/34/62/1169203462.db2.gz	QROCVJGHDOZDIB-DLOVCJGASA-N	-1	0	307.350	0.848	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C)C(=O)[O-]	ZINC001602910218	1169203468	/nfs/dbraw/zinc/20/34/68/1169203468.db2.gz	QUIYTBDBSCSHOE-TVYUQYBPSA-N	-1	0	307.350	0.848	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1csc(C(=O)[O-])n1)C(=O)OC	ZINC001602913479	1169204397	/nfs/dbraw/zinc/20/43/97/1169204397.db2.gz	RTRGGYUPFXWFTH-SSDOTTSWSA-N	-1	0	314.319	0.315	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-]	ZINC001602915319	1169204914	/nfs/dbraw/zinc/20/49/14/1169204914.db2.gz	KFCBKVIBYSQZCW-SECBINFHSA-N	-1	0	320.754	0.669	20	30		DCEDRM
C=CCOCCn1nnnc1N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001602920819	1169205564	/nfs/dbraw/zinc/20/55/64/1169205564.db2.gz	YYJPZCXKTJYORN-LLVKDONJSA-N	-1	0	307.354	0.567	20	30		DCEDRM
C=CCOCCn1nnnc1N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001602920820	1169206851	/nfs/dbraw/zinc/20/68/51/1169206851.db2.gz	YYJPZCXKTJYORN-NSHDSACASA-N	-1	0	307.354	0.567	20	30		DCEDRM
C=CCc1cc(C(=O)NCC[C@H](O)C(=O)[O-])cc(OC)c1OC	ZINC001602925973	1169209058	/nfs/dbraw/zinc/20/90/58/1169209058.db2.gz	JLAARBRRIQQLDZ-LBPRGKRZSA-N	-1	0	323.345	0.998	20	30		DCEDRM
C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602932293	1169210510	/nfs/dbraw/zinc/21/05/10/1169210510.db2.gz	NLLZWWDMDOFABB-QWRGUYRKSA-N	-1	0	308.338	0.463	20	30		DCEDRM
CC#CCCCC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001602947202	1169219166	/nfs/dbraw/zinc/21/91/66/1169219166.db2.gz	RJXRQGNSRADCBO-NWDGAFQWSA-N	-1	0	306.362	0.666	20	30		DCEDRM
C[C@H](C#N)C(=O)N(C)CCCN(C)c1ncc(C(=O)[O-])cn1	ZINC001603129806	1169250790	/nfs/dbraw/zinc/25/07/90/1169250790.db2.gz	MPKMURIVJWTSFK-SNVBAGLBSA-N	-1	0	305.338	0.619	20	30		DCEDRM
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(O)(C(=O)[O-])CC1	ZINC001603154485	1169260188	/nfs/dbraw/zinc/26/01/88/1169260188.db2.gz	FYGCNNMBPIKHJV-GFCCVEGCSA-N	-1	0	323.393	0.629	20	30		DCEDRM
C[C@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)[C@@H]1CCCO1	ZINC001603448870	1169305452	/nfs/dbraw/zinc/30/54/52/1169305452.db2.gz	KXIDDSUQQOFNPS-APPZFPTMSA-N	-1	0	316.325	0.605	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)COC(=O)c1ccnc(C#N)c1)C(=O)[O-]	ZINC001603775802	1169385417	/nfs/dbraw/zinc/38/54/17/1169385417.db2.gz	BDQQJGLXUBZHIN-GFCCVEGCSA-N	-1	0	319.317	0.726	20	30		DCEDRM
C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001604052113	1169481014	/nfs/dbraw/zinc/48/10/14/1169481014.db2.gz	YFNQMGUAESBKRO-JTQLQIEISA-N	-1	0	315.395	0.652	20	30		DCEDRM
C[C@@]1(C#N)CCN(CN2C(=O)N[C@](C)(CCC(=O)[O-])C2=O)C1	ZINC001604483740	1169599833	/nfs/dbraw/zinc/59/98/33/1169599833.db2.gz	WJRXRZAPDQLKEQ-UONOGXRCSA-N	-1	0	308.338	0.355	20	30		DCEDRM
C[C@]1(C#N)CN(C(=O)COCc2ocnc2C(=O)[O-])CCO1	ZINC001604484292	1169601200	/nfs/dbraw/zinc/60/12/00/1169601200.db2.gz	DZZHOTFGSNKEIX-ZDUSSCGKSA-N	-1	0	309.278	0.030	20	30		DCEDRM
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CO1	ZINC001604677376	1169652045	/nfs/dbraw/zinc/65/20/45/1169652045.db2.gz	RAQHETYEJGUXPB-PSASIEDQSA-N	-1	0	310.331	0.712	20	30		DCEDRM
CO[C@H]1C[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C12CCC2	ZINC001605025705	1169785032	/nfs/dbraw/zinc/78/50/32/1169785032.db2.gz	ZSYACEPFOSJRCC-UWVGGRQHSA-N	-1	0	312.337	0.898	20	30		DCEDRM
COc1c(-c2nnn[n-]2)ccc(=O)n1Cc1ccc(C#N)cc1	ZINC001605154317	1169851522	/nfs/dbraw/zinc/85/15/22/1169851522.db2.gz	YKPLYUBUGWVSEI-UHFFFAOYSA-N	-1	0	308.301	0.957	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC001605438686	1169919786	/nfs/dbraw/zinc/91/97/86/1169919786.db2.gz	ICWUCBQFSZVNEW-YPMHNXCESA-N	-1	0	315.395	0.796	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NCc1ccc(C(=O)[O-])cn1	ZINC001605438991	1169921954	/nfs/dbraw/zinc/92/19/54/1169921954.db2.gz	ZLQFVRQHXBCEEC-UHFFFAOYSA-N	-1	0	312.351	0.350	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@H](C#N)CC(C)C	ZINC001605507502	1169942893	/nfs/dbraw/zinc/94/28/93/1169942893.db2.gz	ZVZSUVVHBFRNIA-VIFPVBQESA-N	-1	0	315.337	0.944	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(C#CCO)c1	ZINC001605622697	1169975649	/nfs/dbraw/zinc/97/56/49/1169975649.db2.gz	WJWXCZHBXNQRLL-AWEZNQCLSA-N	-1	0	305.330	0.592	20	30		DCEDRM
CN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[C@@H]1CCC[C@H]1C#N	ZINC001605961083	1170037300	/nfs/dbraw/zinc/03/73/00/1170037300.db2.gz	SOJYSYBQKBNHFH-SDDRHHMPSA-N	-1	0	307.350	0.460	20	30		DCEDRM
CN(CCCNc1ncccc1C#N)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001606122552	1170085086	/nfs/dbraw/zinc/08/50/86/1170085086.db2.gz	OVVPRNULHNBFRR-NEPJUHHUSA-N	-1	0	302.334	0.934	20	30		DCEDRM
CN1CC[C@@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1=O	ZINC001606212062	1170116919	/nfs/dbraw/zinc/11/69/19/1170116919.db2.gz	JMWJUCMWFRZODE-VXGBXAGGSA-N	-1	0	302.286	0.705	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1	ZINC001606346525	1170166059	/nfs/dbraw/zinc/16/60/59/1170166059.db2.gz	HLSTUCINPUKPCZ-UHFFFAOYSA-N	-1	0	306.318	0.547	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C(=O)c2cc(C(=O)[O-])no2)CC1	ZINC001606347044	1170166129	/nfs/dbraw/zinc/16/61/29/1170166129.db2.gz	TWQZMRYFGDSVBJ-UHFFFAOYSA-N	-1	0	307.262	0.292	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cncc(Cl)n2)[n-]c1-c1nn[nH]n1	ZINC001606355773	1170169745	/nfs/dbraw/zinc/16/97/45/1170169745.db2.gz	NVCSGWTWPPFAHZ-UHFFFAOYSA-N	-1	0	316.672	0.157	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(C#N)[nH]c1C	ZINC001606383368	1170176231	/nfs/dbraw/zinc/17/62/31/1170176231.db2.gz	DXNKRDWKSPZCLR-SKDRFNHKSA-N	-1	0	319.317	0.673	20	30		DCEDRM
COc1c(C)cc(C)cc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001607011987	1170354436	/nfs/dbraw/zinc/35/44/36/1170354436.db2.gz	ALBGKYPDFXYGSR-UHFFFAOYSA-N	-1	0	312.347	0.911	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1c(F)cc(-c2nn[nH]n2)cc1F	ZINC001607088297	1170386996	/nfs/dbraw/zinc/38/69/96/1170386996.db2.gz	KTHTYTOSIUTCHV-UHFFFAOYSA-N	-1	0	308.208	0.030	20	30		DCEDRM
CS(=O)(=O)[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001607366461	1170437998	/nfs/dbraw/zinc/43/79/98/1170437998.db2.gz	GGIRMVHESCYXKH-CHWSQXEVSA-N	-1	0	308.359	0.803	20	30		DCEDRM
CSC1([C@@H](C#N)N(C)C(=O)Cn2ccc(C(=O)[O-])n2)CC1	ZINC001607390491	1170445539	/nfs/dbraw/zinc/44/55/39/1170445539.db2.gz	VNBWZGRBCLPMBR-SNVBAGLBSA-N	-1	0	308.363	0.827	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)NCCNc2ncccc2C#N)O[C@H]1C(=O)[O-]	ZINC001607442797	1170454536	/nfs/dbraw/zinc/45/45/36/1170454536.db2.gz	RFMORYDKXNYIIN-YUSALJHKSA-N	-1	0	318.333	0.360	20	30		DCEDRM
Cc1ccc(C#N)c(N(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1	ZINC001607724442	1170500140	/nfs/dbraw/zinc/50/01/40/1170500140.db2.gz	YFQAOBMMAQHKGR-VXGBXAGGSA-N	-1	0	302.334	0.535	20	30		DCEDRM
Cc1cccc(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)c1C#N	ZINC001607862732	1170514467	/nfs/dbraw/zinc/51/44/67/1170514467.db2.gz	YJHKKNWJTTXHLR-UHFFFAOYSA-N	-1	0	324.358	0.371	20	30		DCEDRM
Cn1ccnc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1=O	ZINC001608128559	1170585355	/nfs/dbraw/zinc/58/53/55/1170585355.db2.gz	AZIPGOFODSDUCG-UHFFFAOYSA-N	-1	0	305.294	0.003	20	30		DCEDRM
Cn1ccc(CNS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])n1	ZINC001608130765	1170586400	/nfs/dbraw/zinc/58/64/00/1170586400.db2.gz	WBYYUXLGMMCPDE-UHFFFAOYSA-N	-1	0	320.330	0.468	20	30		DCEDRM
N#C[C@]1(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])CC12CCCC2	ZINC001608171957	1170609220	/nfs/dbraw/zinc/60/92/20/1170609220.db2.gz	KBOHMLXIPDLRSS-YGRLFVJLSA-N	-1	0	303.322	0.322	20	30		DCEDRM
N#CCC(=O)N1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC001608178816	1170610349	/nfs/dbraw/zinc/61/03/49/1170610349.db2.gz	CDJYPWMIOXBIGN-HNNXBMFYSA-N	-1	0	312.329	0.742	20	30		DCEDRM
N#CC1(NC(=O)COC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CCC1	ZINC001608177192	1170610828	/nfs/dbraw/zinc/61/08/28/1170610828.db2.gz	NNDWBBBOKDHVIN-GHMZBOCLSA-N	-1	0	308.334	0.983	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O	ZINC001608183154	1170611760	/nfs/dbraw/zinc/61/17/60/1170611760.db2.gz	INQFVKLBENTSOU-RYUDHWBXSA-N	-1	0	302.286	0.728	20	30		DCEDRM
N#CCCN1CCN(C(=O)Nc2nc(CC(=O)[O-])cs2)CC1	ZINC001608184040	1170611914	/nfs/dbraw/zinc/61/19/14/1170611914.db2.gz	KGISDWOIERCFKG-UHFFFAOYSA-N	-1	0	323.378	0.833	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1	ZINC001608188982	1170612586	/nfs/dbraw/zinc/61/25/86/1170612586.db2.gz	SQYSDFBXNTYRNZ-QWHCGFSZSA-N	-1	0	318.329	0.425	20	30		DCEDRM
N#CCN1CCC(CNC(=O)c2cnc(C(=O)[O-])cn2)CC1	ZINC001608188242	1170612910	/nfs/dbraw/zinc/61/29/10/1170612910.db2.gz	RDOFKDGZXHSTCK-UHFFFAOYSA-N	-1	0	303.322	0.140	20	30		DCEDRM
N#CCN1CCC(NC(=O)Nc2cc(C(=O)[O-])ccn2)CC1	ZINC001608188164	1170612998	/nfs/dbraw/zinc/61/29/98/1170612998.db2.gz	PBYYBLMJGUTHQB-UHFFFAOYSA-N	-1	0	303.322	0.889	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)cc1O	ZINC001608199085	1170613847	/nfs/dbraw/zinc/61/38/47/1170613847.db2.gz	QYKLODXJMQYXMF-HNNXBMFYSA-N	-1	0	315.285	0.709	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001608194359	1170614033	/nfs/dbraw/zinc/61/40/33/1170614033.db2.gz	OADGEIWUZVMQRX-UHFFFAOYSA-N	-1	0	315.264	0.684	20	30		DCEDRM
N#Cc1cc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC001608198256	1170614114	/nfs/dbraw/zinc/61/41/14/1170614114.db2.gz	WRZLEUUXCATIKQ-GFCCVEGCSA-N	-1	0	318.289	0.636	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1	ZINC001608199025	1170614151	/nfs/dbraw/zinc/61/41/51/1170614151.db2.gz	OUOYIMAWBNFLIF-GFCCVEGCSA-N	-1	0	311.301	0.935	20	30		DCEDRM
N#Cc1c(CN2CCN(c3nccnn3)CC2)cccc1C(=O)[O-]	ZINC001608191375	1170614179	/nfs/dbraw/zinc/61/41/79/1170614179.db2.gz	SWGZUUCLNZJDQG-UHFFFAOYSA-N	-1	0	324.344	0.764	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1	ZINC001608202330	1170614947	/nfs/dbraw/zinc/61/49/47/1170614947.db2.gz	OJMBMCSXWGKWSX-QWHCGFSZSA-N	-1	0	314.301	0.127	20	30		DCEDRM
N#Cc1ccc(CSCC(=O)NC[C@@H](O)CC(=O)[O-])cc1	ZINC001608205418	1170615260	/nfs/dbraw/zinc/61/52/60/1170615260.db2.gz	DAIZKFCLIOYIPV-LBPRGKRZSA-N	-1	0	308.359	0.743	20	30		DCEDRM
N#Cc1cccc(OCC(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1	ZINC001608217939	1170617099	/nfs/dbraw/zinc/61/70/99/1170617099.db2.gz	AIYYTOPDZKDRBZ-TZMCWYRMSA-N	-1	0	318.329	0.791	20	30		DCEDRM
N#Cc1cccc(CNC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c1	ZINC001608217617	1170617111	/nfs/dbraw/zinc/61/71/11/1170617111.db2.gz	LYEDMUZRKVEKNV-AWEZNQCLSA-N	-1	0	317.345	0.925	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCCOCC(=O)[O-])C2	ZINC001608213318	1170617133	/nfs/dbraw/zinc/61/71/33/1170617133.db2.gz	KZQXVDCAFLPAPJ-ZDUSSCGKSA-N	-1	0	303.318	0.426	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)c1	ZINC001608218087	1170617148	/nfs/dbraw/zinc/61/71/48/1170617148.db2.gz	FBAHKWYXGIXHBP-UWVGGRQHSA-N	-1	0	316.285	0.802	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)c1	ZINC001608217952	1170617599	/nfs/dbraw/zinc/61/75/99/1170617599.db2.gz	AJEWRFUSVGUXBJ-AAEUAGOBSA-N	-1	0	324.358	0.574	20	30		DCEDRM
N#Cc1ccc2ncc(CN3CCC[C@@H](O)[C@H]3C(=O)[O-])n2c1	ZINC001608215284	1170617650	/nfs/dbraw/zinc/61/76/50/1170617650.db2.gz	ZYLSGJJFJKKPCT-OCCSQVGLSA-N	-1	0	300.318	0.616	20	30		DCEDRM
N#Cc1cccnc1N1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001608221911	1170618225	/nfs/dbraw/zinc/61/82/25/1170618225.db2.gz	ZINWNSNZSHESRY-OLZOCXBDSA-N	-1	0	314.345	0.713	20	30		DCEDRM
N#Cc1ccnc(C(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])c1	ZINC001608221818	1170618393	/nfs/dbraw/zinc/61/83/93/1170618393.db2.gz	SRHNMTGBSXZXTH-ZDUSSCGKSA-N	-1	0	303.318	0.953	20	30		DCEDRM
N#Cc1ccccc1CN1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001608220185	1170618449	/nfs/dbraw/zinc/61/84/49/1170618449.db2.gz	PYLUBAWLZUDPSH-CABCVRRESA-N	-1	0	313.357	0.827	20	30		DCEDRM
N#Cc1ncn(CC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)n1	ZINC001608225449	1170619351	/nfs/dbraw/zinc/61/93/51/1170619351.db2.gz	PILRNZPSXAFFRT-SNVBAGLBSA-N	-1	0	317.227	0.015	20	30		DCEDRM
N#Cc1cnccc1N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001608223112	1170619913	/nfs/dbraw/zinc/61/99/13/1170619913.db2.gz	TUEQZYZBMIHERI-ZBAXXZLZSA-N	-1	0	314.345	0.403	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)C(C)C	ZINC001609054370	1170794247	/nfs/dbraw/zinc/79/42/47/1170794247.db2.gz	IGDCSVMOJFVNRL-NEPJUHHUSA-N	-1	0	319.365	0.981	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC001609057733	1170794571	/nfs/dbraw/zinc/79/45/71/1170794571.db2.gz	DLWOZPWDJICAFP-VIFPVBQESA-N	-1	0	322.342	0.554	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)C(=O)[O-]	ZINC001609076538	1170800218	/nfs/dbraw/zinc/80/02/18/1170800218.db2.gz	PMPCZRDKKGLBOV-YPMHNXCESA-N	-1	0	306.362	0.760	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(=O)[O-]	ZINC001609078634	1170802327	/nfs/dbraw/zinc/80/23/27/1170802327.db2.gz	ARHZMRZFYLZMAG-LLVKDONJSA-N	-1	0	316.273	0.537	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001609226720	1170881087	/nfs/dbraw/zinc/88/10/87/1170881087.db2.gz	VICUWKCSZVUCGQ-ZYHUDNBSSA-N	-1	0	323.353	0.257	20	30		DCEDRM
COCc1nc(Cn2c(C)nc(-c3nnn[n-]3)c2C#N)cs1	ZINC001609331520	1170941605	/nfs/dbraw/zinc/94/16/05/1170941605.db2.gz	OJHNTRDVAIMWIZ-UHFFFAOYSA-N	-1	0	316.350	0.895	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cn1c(=O)oc2ccccc21)C(=O)[O-]	ZINC001609442930	1170978210	/nfs/dbraw/zinc/97/82/10/1170978210.db2.gz	LIQYYEPQLOLJRW-SNVBAGLBSA-N	-1	0	320.301	0.367	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC001609489138	1170995613	/nfs/dbraw/zinc/99/56/13/1170995613.db2.gz	UOHMRBJYKSDDOZ-CYBMUJFWSA-N	-1	0	320.345	0.837	20	30		DCEDRM
C[C@](CC(=O)[O-])(NC(=O)Cn1cnc(C#N)n1)c1ccncc1	ZINC001609729617	1171074770	/nfs/dbraw/zinc/07/47/70/1171074770.db2.gz	YPTVEHIRHULYPT-CQSZACIVSA-N	-1	0	314.305	0.051	20	30		DCEDRM
CN(C1(C#N)CCCC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001610106971	1171157344	/nfs/dbraw/zinc/15/73/44/1171157344.db2.gz	MFNXEUDBPCHINS-UHFFFAOYSA-N	-1	0	312.351	0.425	20	30		DCEDRM
COC(=O)C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)[O-]	ZINC001610176786	1171187244	/nfs/dbraw/zinc/18/72/44/1171187244.db2.gz	CYKQXCPRGWIUTQ-GFCCVEGCSA-N	-1	0	316.313	0.988	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)c2ncc(C#N)cc2C)[C@H](C(=O)[O-])C1	ZINC001610238423	1171203445	/nfs/dbraw/zinc/20/34/45/1171203445.db2.gz	WNWKVDJLKXFRGA-NEPJUHHUSA-N	-1	0	303.318	0.966	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC(C)(C#N)C1	ZINC001610289883	1171216965	/nfs/dbraw/zinc/21/69/65/1171216965.db2.gz	NKWJWWIYBXTCRU-UHFFFAOYSA-N	-1	0	310.331	0.928	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C1	ZINC001610620670	1171270085	/nfs/dbraw/zinc/27/00/85/1171270085.db2.gz	KZZBHKMNQFRLSM-GVXVVHGQSA-N	-1	0	316.379	0.310	20	30		DCEDRM
N#CC1(CS(=O)(=O)NC2(CC(=O)[O-])CCOCC2)CC1	ZINC001610619535	1171270332	/nfs/dbraw/zinc/27/03/32/1171270332.db2.gz	LGMGEETXRLYWPV-UHFFFAOYSA-N	-1	0	302.352	0.233	20	30		DCEDRM
N#Cc1c(COC(=O)[C@H]2CCNC(=O)C2)cccc1C(=O)[O-]	ZINC001610625164	1171271241	/nfs/dbraw/zinc/27/12/41/1171271241.db2.gz	OJKVDOXPPFBLPQ-VIFPVBQESA-N	-1	0	302.286	0.826	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1	ZINC001610629765	1171272267	/nfs/dbraw/zinc/27/22/67/1171272267.db2.gz	BSDXOJAMXIQMLN-JTQLQIEISA-N	-1	0	312.289	0.330	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1	ZINC001610629019	1171272300	/nfs/dbraw/zinc/27/23/00/1171272300.db2.gz	KGSOOVKVACXOMC-YPMHNXCESA-N	-1	0	303.318	0.264	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1	ZINC001610626915	1171272608	/nfs/dbraw/zinc/27/26/08/1171272608.db2.gz	BBNXKIFQKBOYJU-ZDUSSCGKSA-N	-1	0	312.322	0.887	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)c(F)c1	ZINC001610627328	1171272809	/nfs/dbraw/zinc/27/28/09/1171272809.db2.gz	WJXSKMRQJQNNOI-GFCCVEGCSA-N	-1	0	312.322	0.980	20	30		DCEDRM
O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)CC#Cc1ccccc1	ZINC001610783125	1171323721	/nfs/dbraw/zinc/32/37/21/1171323721.db2.gz	MZVFCHQFSOTJIU-CQSZACIVSA-N	-1	0	314.341	0.620	20	30		DCEDRM
C=C[C@H](COC)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001622055288	1171416949	/nfs/dbraw/zinc/41/69/49/1171416949.db2.gz	DALWPCHBTBTUGV-MRVPVSSYSA-N	-1	0	302.308	0.780	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12	ZINC001628287497	1171523110	/nfs/dbraw/zinc/52/31/10/1171523110.db2.gz	XRVRTQWGQZYPCG-VIFPVBQESA-N	-1	0	324.362	0.464	20	30		DCEDRM
C[C@]1(CC(=O)Nc2cc(C#N)ccc2[O-])CCS(=O)(=O)N1	ZINC001633077219	1171632197	/nfs/dbraw/zinc/63/21/97/1171632197.db2.gz	OQIRVBIJKMNKJP-CYBMUJFWSA-N	-1	0	309.347	0.674	20	30		DCEDRM
COc1ccc(O)c(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001633082616	1171632202	/nfs/dbraw/zinc/63/22/02/1171632202.db2.gz	JTTQFBLBNBELOR-UHFFFAOYSA-N	-1	0	316.273	0.173	20	30		DCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001633175719	1171635896	/nfs/dbraw/zinc/63/58/96/1171635896.db2.gz	NGKVFSKVEBNSOG-NSHDSACASA-N	-1	0	318.333	0.323	20	30		DCEDRM
CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](COC)c1nnn[n-]1	ZINC001634621980	1171681642	/nfs/dbraw/zinc/68/16/42/1171681642.db2.gz	LIQZMVZODWNKOP-QWRGUYRKSA-N	-1	0	312.374	0.975	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCCNc2ccccn2)c(C#N)c1=O	ZINC001639293276	1171830078	/nfs/dbraw/zinc/83/00/78/1171830078.db2.gz	MFYZSHHSSWQNLM-UHFFFAOYSA-N	-1	0	300.322	0.254	20	30		DCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccc2cc[nH]c2c1	ZINC001640138028	1171866719	/nfs/dbraw/zinc/86/67/19/1171866719.db2.gz	UKACYNXVQFRYAL-UHFFFAOYSA-N	-1	0	323.312	0.965	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)nn1	ZINC001641601960	1171922752	/nfs/dbraw/zinc/92/27/52/1171922752.db2.gz	LOOBLZHTDMPIAH-LBPRGKRZSA-N	-1	0	310.321	0.497	20	30		DCEDRM
CC(C)(C)NS(=O)(=O)CC(=O)[N-]Oc1cccc(C#N)c1	ZINC001643517922	1171979309	/nfs/dbraw/zinc/97/93/09/1171979309.db2.gz	LQNZNIJZPVNHPQ-UHFFFAOYSA-N	-1	0	311.363	0.686	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCO[C@@H](c3ccccc3)C2)c(C#N)c1=O	ZINC001647625301	1173005072	/nfs/dbraw/zinc/00/50/72/1173005072.db2.gz	YYLYWAVMKQDVIK-CYBMUJFWSA-N	-1	0	312.329	0.523	20	30		DCEDRM
Cn1nccc1CCC(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001649755771	1173202736	/nfs/dbraw/zinc/20/27/36/1173202736.db2.gz	DHORDIORZAXBFR-UHFFFAOYSA-N	-1	0	318.358	0.729	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@H](O)[C@@H]2CCCO2)cc1C#N	ZINC001649927535	1173313607	/nfs/dbraw/zinc/31/36/07/1173313607.db2.gz	MJNCWGNCFZFHQY-QWRGUYRKSA-N	-1	0	323.374	0.650	20	30		DCEDRM
CCOc1cccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001650224924	1173522433	/nfs/dbraw/zinc/52/24/33/1173522433.db2.gz	AGFRDCJWPDPUEP-UHFFFAOYSA-N	-1	0	300.318	0.956	20	30		DCEDRM
Cn1ccnc1[C@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001650232273	1173527428	/nfs/dbraw/zinc/52/74/28/1173527428.db2.gz	COFRHAVAKNWVPK-JTQLQIEISA-N	-1	0	314.349	0.063	20	30		DCEDRM
O=C(C=Cc1ccc(F)cc1)C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001650857686	1173733406	/nfs/dbraw/zinc/73/34/06/1173733406.db2.gz	GNZQXZKLKQBBDI-GQOHGMTASA-N	-1	0	315.308	0.937	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)C(=O)OCC	ZINC001651052919	1173739124	/nfs/dbraw/zinc/73/91/24/1173739124.db2.gz	XTZSBAHQZMSORQ-LLVKDONJSA-N	-1	0	318.333	0.650	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC001675453826	1175358813	/nfs/dbraw/zinc/35/88/13/1175358813.db2.gz	JAOIJCDTGFRNFS-LLVKDONJSA-N	-1	0	305.382	0.496	20	30		DCEDRM
N#CCNC[C@H]1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001676965119	1175507945	/nfs/dbraw/zinc/50/79/45/1175507945.db2.gz	KQUWWTWLNKMFDV-UWVGGRQHSA-N	-1	0	315.333	0.940	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(C)C	ZINC001677199203	1175548293	/nfs/dbraw/zinc/54/82/93/1175548293.db2.gz	XDPZBHOAOYWSFN-LBPRGKRZSA-N	-1	0	323.397	0.217	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)[C@H]1CCCO1	ZINC001681592711	1175905812	/nfs/dbraw/zinc/90/58/12/1175905812.db2.gz	IHAVRTYTHMLTSL-GRYCIOLGSA-N	-1	0	319.365	0.580	20	30		DCEDRM
COCCN(Cc1ccc(C#N)cc1)C(=O)NCC(=O)[N-]OC	ZINC001684449120	1175999908	/nfs/dbraw/zinc/99/99/08/1175999908.db2.gz	ZLLZAYPGUMLGSW-UHFFFAOYSA-N	-1	0	320.349	0.394	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001701613266	1179089123	/nfs/dbraw/zinc/08/91/23/1179089123.db2.gz	GFNXBIADIGCFPA-PSLIRLAXSA-N	-1	0	324.381	0.328	20	30		DCEDRM
C=CC[C@H](NC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-]	ZINC000159726778	1180566759	/nfs/dbraw/zinc/56/67/59/1180566759.db2.gz	RRJZBFHRQGZILX-JTQLQIEISA-N	-1	0	313.335	0.485	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)[C@H](C)CNCC#N)cc1=O	ZINC001715344412	1181782305	/nfs/dbraw/zinc/78/23/05/1181782305.db2.gz	OVUDAEXYBIRYER-GFCCVEGCSA-N	-1	0	307.398	0.335	20	30		DCEDRM
CCOC(=O)c1n[nH]cc1C=CC([O-])=C1C(=O)C=C(C)OC1=O	ZINC000269113302	1185703924	/nfs/dbraw/zinc/70/39/24/1185703924.db2.gz	XYLXRNRMONFMFS-ZYOFXKKJSA-N	-1	0	318.285	0.815	20	30		DCEDRM
N#CCNC[C@H]1CCC[C@H]1NC(=O)c1c[n-]n2c1nccc2=O	ZINC001732622082	1185876904	/nfs/dbraw/zinc/87/69/04/1185876904.db2.gz	HCDHMGPOHLDMFB-ZYHUDNBSSA-N	-1	0	314.349	0.034	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001734170421	1186567207	/nfs/dbraw/zinc/56/72/07/1186567207.db2.gz	QYFJBRAQBZRLEN-CNDDSTCGSA-N	-1	0	319.409	0.907	20	30		DCEDRM
C=CCCCC(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001738067653	1187465744	/nfs/dbraw/zinc/46/57/44/1187465744.db2.gz	YJSZYKDVTCYDLB-UHFFFAOYSA-N	-1	0	306.366	0.968	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC[C@@H](CC)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001738120168	1187479224	/nfs/dbraw/zinc/47/92/24/1187479224.db2.gz	OOAVGJGEFNNNOE-BMIGLBTASA-N	-1	0	324.381	0.375	20	30		DCEDRM
C=CCOCC(=O)N(CC)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001756851935	1189466120	/nfs/dbraw/zinc/46/61/20/1189466120.db2.gz	PGIBPTPXMIOXTP-SNVBAGLBSA-N	-1	0	324.381	0.593	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCC[C@@H](C)NC(=O)[C@@H](C)C#N)c1[O-]	ZINC001756928778	1189477914	/nfs/dbraw/zinc/47/79/14/1189477914.db2.gz	ODJHAPJLCHRDSC-VHSXEESVSA-N	-1	0	321.381	0.988	20	30		DCEDRM
C=CCCC(=O)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C	ZINC001759525548	1190201503	/nfs/dbraw/zinc/20/15/03/1190201503.db2.gz	UUELKNVQSXDVSZ-SECBINFHSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C[C@H]1[C@H](Nc2cc(C#N)c(Cl)cn2)C(=O)N1S(=O)(=O)[O-]	ZINC001167857568	748440331	/nfs/dbraw/zinc/44/03/31/748440331.db2.gz	DCZLDERPJGIEJK-CDUCUWFYSA-N	-1	0	316.726	0.421	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c(C)occc1=O	ZINC001227241611	749200650	/nfs/dbraw/zinc/20/06/50/749200650.db2.gz	DSQYTCXTYAUBOE-SNVBAGLBSA-N	-1	0	304.320	0.786	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001071908853	762218384	/nfs/dbraw/zinc/21/83/84/762218384.db2.gz	COLMYNRLXXPDDX-JOYOIKCWSA-N	-1	0	316.361	0.414	20	30		DCEDRM
C=C(Cl)CN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1	ZINC001090198906	754349024	/nfs/dbraw/zinc/34/90/24/754349024.db2.gz	CRXZYZTYCGQPKW-VHSXEESVSA-N	-1	0	314.773	0.341	20	30		DCEDRM
C=C(Cl)CN1CCOC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001050876236	758200221	/nfs/dbraw/zinc/20/02/21/758200221.db2.gz	LCSPJYHHQMLRSE-JTQLQIEISA-N	-1	0	314.773	0.607	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)c1[O-]	ZINC001058328913	759894508	/nfs/dbraw/zinc/89/45/08/759894508.db2.gz	ZSINSUOXMDLRPE-SECBINFHSA-N	-1	0	313.321	0.094	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)c2ccnc(C#N)n2)c1[O-]	ZINC001108901732	761129244	/nfs/dbraw/zinc/12/92/44/761129244.db2.gz	QEJLIBDXVBKJSQ-QMMMGPOBSA-N	-1	0	315.337	0.340	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1nccnc1C)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170747282	765482376	/nfs/dbraw/zinc/48/23/76/765482376.db2.gz	PLGZPGFLYFWCJB-QMTHXVAHSA-N	-1	0	322.390	0.750	20	30		DCEDRM
C=CC[C@H](NC(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	ZINC001118400124	766309210	/nfs/dbraw/zinc/30/92/10/766309210.db2.gz	KNLPHAZXMBPBPA-NSHDSACASA-N	-1	0	318.395	0.194	20	30		DCEDRM
Cn1ncc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1-n1cccc1	ZINC001143815478	766716114	/nfs/dbraw/zinc/71/61/14/766716114.db2.gz	WWWPPJCPHKXWMU-UHFFFAOYSA-N	-1	0	306.289	0.930	20	30		DCEDRM
CC(=O)N[C@@H](CS)C(=O)Nc1ccccc1-c1nn[nH]n1	ZINC001144411034	766892781	/nfs/dbraw/zinc/89/27/81/766892781.db2.gz	OKUFJRRMRRXRGF-JTQLQIEISA-N	-1	0	306.351	0.240	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC001144583993	766979990	/nfs/dbraw/zinc/97/99/90/766979990.db2.gz	YJSVDALWSGLTLC-QMMMGPOBSA-N	-1	0	319.273	0.813	20	30		DCEDRM
[NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)c1cc[nH]c1	ZINC001146891040	767555471	/nfs/dbraw/zinc/55/54/71/767555471.db2.gz	FHVDKVKUFNIABN-VIFPVBQESA-N	-1	0	323.311	0.171	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@]2(CCOC2)C1	ZINC001121561479	767592094	/nfs/dbraw/zinc/59/20/94/767592094.db2.gz	DJDUZOGTMVGCCX-HNNXBMFYSA-N	-1	0	316.365	0.305	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H]2OCC[C@@H]2C1	ZINC001121663296	767616620	/nfs/dbraw/zinc/61/66/20/767616620.db2.gz	QLWKWNJMSSAOPX-PWSUYJOCSA-N	-1	0	316.365	0.303	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(S(C)(=O)=O)cc1	ZINC001122625867	767846119	/nfs/dbraw/zinc/84/61/19/767846119.db2.gz	RPPGURGMALTOBU-LBPRGKRZSA-N	-1	0	306.343	0.715	20	30		DCEDRM
N#Cc1ccc2c(c1)CCN(C(=O)Cn1nn[n-]c1=S)C2	ZINC001177736193	770538645	/nfs/dbraw/zinc/53/86/45/770538645.db2.gz	DPFALHNRNCYZPG-UHFFFAOYSA-N	-1	0	300.347	0.418	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@H]1COC(C)(C)O1	ZINC001206380815	771006745	/nfs/dbraw/zinc/00/67/45/771006745.db2.gz	NYGUNIAFPBXXJU-QWRGUYRKSA-N	-1	0	310.368	0.614	20	30		DCEDRM
C=CCOCC(=O)NCCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001159576762	771929661	/nfs/dbraw/zinc/92/96/61/771929661.db2.gz	WYFVLLCQMMLSQA-UHFFFAOYSA-N	-1	0	321.381	0.351	20	30		DCEDRM
N#Cc1cnn(-c2ncccn2)c1[N-]S(=O)(=O)C1CCC1	ZINC001188104424	772266568	/nfs/dbraw/zinc/26/65/68/772266568.db2.gz	DBPZFBVRUQFKTL-UHFFFAOYSA-N	-1	0	304.335	0.828	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)Cc1cccc(F)c1F)C(=O)OC	ZINC001189482538	772490173	/nfs/dbraw/zinc/49/01/73/772490173.db2.gz	WGFYQPLQHWKMBA-NSHDSACASA-N	-1	0	317.313	0.949	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ncccc2C(N)=O)c1	ZINC001190618013	772646302	/nfs/dbraw/zinc/64/63/02/772646302.db2.gz	YAYDRNKHQUXFDP-UHFFFAOYSA-N	-1	0	320.305	0.992	20	30		DCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190689844	772665552	/nfs/dbraw/zinc/66/55/52/772665552.db2.gz	DCDGVQODSGTSSZ-UHFFFAOYSA-N	-1	0	305.323	0.536	20	30		DCEDRM
C=C[C@@H]1C[C@]1(NC(=O)NC1CC1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001191498003	772774808	/nfs/dbraw/zinc/77/48/08/772774808.db2.gz	PICBRCDQCANMRM-AMIZOPFISA-N	-1	0	313.379	0.001	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1	ZINC001191868686	772836818	/nfs/dbraw/zinc/83/68/18/772836818.db2.gz	XXYDOBDGGHJRFR-QWHCGFSZSA-N	-1	0	321.425	0.743	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(CCC#N)cc1	ZINC001192106483	772870531	/nfs/dbraw/zinc/87/05/31/772870531.db2.gz	NZFWXNNJQNXFCW-UHFFFAOYSA-N	-1	0	311.363	0.489	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(=O)CC2)cc1	ZINC001192986169	772983715	/nfs/dbraw/zinc/98/37/15/772983715.db2.gz	VGBBZZBEHOWVGY-UHFFFAOYSA-N	-1	0	321.358	0.757	20	30		DCEDRM
CN(C)S(=O)(=O)c1ccccc1[N-]S(=O)(=O)CC#N	ZINC001192978812	772991364	/nfs/dbraw/zinc/99/13/64/772991364.db2.gz	HSZZESBODFMATM-UHFFFAOYSA-N	-1	0	303.365	0.202	20	30		DCEDRM
COC(=O)c1cc([N-]S(=O)(=O)CC#N)cc(C(=O)OC)c1	ZINC001192980225	772992371	/nfs/dbraw/zinc/99/23/71/772992371.db2.gz	FRUGFABLYJBPAF-UHFFFAOYSA-N	-1	0	312.303	0.525	20	30		DCEDRM
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1onc(C)c1C#N	ZINC001193009277	772995712	/nfs/dbraw/zinc/99/57/12/772995712.db2.gz	SMIRPDBLIQYYES-UHFFFAOYSA-N	-1	0	301.324	0.938	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cnn(C)c(=O)c1Br	ZINC001193193683	773022165	/nfs/dbraw/zinc/02/21/65/773022165.db2.gz	NBMYVKRVGVCYTL-RXMQYKEDSA-N	-1	0	321.156	0.197	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCC3(CNC(=O)N3)CC2)ccc1[O-]	ZINC001193503869	773075164	/nfs/dbraw/zinc/07/51/64/773075164.db2.gz	HSZPVSQKKWJDQQ-UHFFFAOYSA-N	-1	0	300.318	0.551	20	30		DCEDRM
N#Cc1cccc(C(=O)Nc2cncc(S(N)(=O)=O)c2)c1[O-]	ZINC001193642225	773094212	/nfs/dbraw/zinc/09/42/12/773094212.db2.gz	DHDHMBJVIMPKRI-UHFFFAOYSA-N	-1	0	318.314	0.559	20	30		DCEDRM
COc1ncnc([N-]S(=O)(=O)C2CCC(=O)CC2)c1C#N	ZINC001194769320	773260059	/nfs/dbraw/zinc/26/00/59/773260059.db2.gz	HOOIGTGNDATDMW-UHFFFAOYSA-N	-1	0	310.335	0.610	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])C(=O)OC	ZINC001198802305	773986224	/nfs/dbraw/zinc/98/62/24/773986224.db2.gz	WWIWNYYHVSVIJO-SNVBAGLBSA-N	-1	0	313.331	0.781	20	30		DCEDRM
C=CCNC(=S)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC001200275292	774313531	/nfs/dbraw/zinc/31/35/31/774313531.db2.gz	MRHVWKABBXVUNP-UHFFFAOYSA-N	-1	0	313.404	0.984	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2oc(C)nc2C#N)c1	ZINC001201844210	774565917	/nfs/dbraw/zinc/56/59/17/774565917.db2.gz	VUPGWYWQOCILLL-UHFFFAOYSA-N	-1	0	322.302	0.837	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCCOCCOC	ZINC001224895165	775616878	/nfs/dbraw/zinc/61/68/78/775616878.db2.gz	DDPZZXCWYCBYJB-LBPRGKRZSA-N	-1	0	312.384	0.515	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1[nH]c(=O)nc(C)c1C	ZINC001226980076	775905913	/nfs/dbraw/zinc/90/59/13/775905913.db2.gz	AWVBKGJIWMIWMI-SNVBAGLBSA-N	-1	0	318.351	0.637	20	30		DCEDRM
CC#CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114717872	776068268	/nfs/dbraw/zinc/06/82/68/776068268.db2.gz	CTIMZWPJWOVFLN-YABSGUDNSA-N	-1	0	303.366	0.250	20	30		DCEDRM
C=C[C@@H]1O[C@@H](Oc2nnc(C(=O)OC)[n-]2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001228313190	776069934	/nfs/dbraw/zinc/06/99/34/776069934.db2.gz	GGDIMNYJHCJYEA-UGYAYLCHSA-N	-1	0	311.294	0.401	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc(C(N)=O)c1	ZINC001228612194	776105268	/nfs/dbraw/zinc/10/52/68/776105268.db2.gz	AVRNRRHAZYXIDG-LBPRGKRZSA-N	-1	0	315.347	0.623	20	30		DCEDRM
CCOC(=O)C[C@H](Oc1[n-]c(=O)ccc1C#N)C(=O)OCC	ZINC001228899356	776136227	/nfs/dbraw/zinc/13/62/27/776136227.db2.gz	VWYVYTAAWQUWMX-JTQLQIEISA-N	-1	0	308.290	0.923	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1n[nH]c2cnccc21	ZINC001228991413	776144832	/nfs/dbraw/zinc/14/48/32/776144832.db2.gz	ZLMOFNTZOJIBIS-SECBINFHSA-N	-1	0	313.335	0.796	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2ncnc(=O)[n-]2)C1	ZINC001229605283	776204802	/nfs/dbraw/zinc/20/48/02/776204802.db2.gz	BTCSXELJXPDHRT-RKDXNWHRSA-N	-1	0	307.310	0.715	20	30		DCEDRM
N#Cc1sccc1S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001601135566	1168594200	/nfs/dbraw/zinc/59/42/00/1168594200.db2.gz	DLJCFWLUWQZISV-HTQZYQBOSA-N	-1	0	316.360	0.076	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CC(C(=O)[O-])C1	ZINC001602715882	1169167718	/nfs/dbraw/zinc/16/77/18/1169167718.db2.gz	VXZRNXZEKPONTL-UHFFFAOYSA-N	-1	0	310.350	0.836	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)COc1ccccc1C#N)C(=O)[O-]	ZINC001602908867	1169201897	/nfs/dbraw/zinc/20/18/97/1169201897.db2.gz	HTDOMNVTBPRORM-GFCCVEGCSA-N	-1	0	304.302	0.709	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H](CO)CC2CCCC2)c(C#N)c1=O	ZINC001412885763	942124563	/nfs/dbraw/zinc/12/45/63/942124563.db2.gz	RTZOXKZCQKGUMY-NSHDSACASA-N	-1	0	306.366	0.546	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1	ZINC001413047000	942240788	/nfs/dbraw/zinc/24/07/88/942240788.db2.gz	FSAPZDBMPVQZMG-UWVGGRQHSA-N	-1	0	323.374	0.615	20	30		DCEDRM
C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cc(=O)[nH][n-]1	ZINC001272283573	942661114	/nfs/dbraw/zinc/66/11/14/942661114.db2.gz	VKKOHCCYPBFQBR-HNNXBMFYSA-N	-1	0	304.350	0.899	20	30		DCEDRM
N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc(=O)[nH][n-]1	ZINC001272285109	942662512	/nfs/dbraw/zinc/66/25/12/942662512.db2.gz	AGMQMWFRHNVNTM-VXGBXAGGSA-N	-1	0	317.349	0.625	20	30		DCEDRM
N#Cc1ccncc1N1CCN(S(=O)(=O)c2ncc[n-]2)CC1	ZINC001413357114	942923200	/nfs/dbraw/zinc/92/32/00/942923200.db2.gz	PKAAOPAVSBAURF-UHFFFAOYSA-N	-1	0	318.362	0.187	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3ncccc3F)C2)c(=O)[n-]c1=O	ZINC001413812078	944115293	/nfs/dbraw/zinc/11/52/93/944115293.db2.gz	RQEOCGQJSYPKRU-UHFFFAOYSA-N	-1	0	315.264	0.052	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N(CC)CC	ZINC001329807327	944304779	/nfs/dbraw/zinc/30/47/79/944304779.db2.gz	PGMJYTRHCKSFAS-NSHDSACASA-N	-1	0	305.400	0.160	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2CC(NC(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001486617036	945002585	/nfs/dbraw/zinc/00/25/85/945002585.db2.gz	SGINRXAYPFITOC-CUUXFQNZSA-N	-1	0	305.338	0.208	20	30		DCEDRM
CCOC(=O)c1c(C)oc([N-]S(=O)(=O)N(C)C)c1C#N	ZINC001251055382	945732148	/nfs/dbraw/zinc/73/21/48/945732148.db2.gz	AINXJDPHXKQDFW-UHFFFAOYSA-N	-1	0	301.324	0.855	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)CCc1c(C)nc[nH]c1=O	ZINC001320087718	945734595	/nfs/dbraw/zinc/73/45/95/945734595.db2.gz	YZDOQLBGACTKHY-UHFFFAOYSA-N	-1	0	313.379	0.140	20	30		DCEDRM
CC[C@H](C#N)NC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC001320287987	945807141	/nfs/dbraw/zinc/80/71/41/945807141.db2.gz	NFSIZSMUUMCIRF-SNVBAGLBSA-N	-1	0	312.333	0.909	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001320562935	945925995	/nfs/dbraw/zinc/92/59/95/945925995.db2.gz	GJRXHFBTXVLXFL-CYBMUJFWSA-N	-1	0	305.396	0.840	20	30		DCEDRM
C=CCOC[C@@H](O)CNc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001252481895	945947529	/nfs/dbraw/zinc/94/75/29/945947529.db2.gz	GJUGUSVGHGIFDS-ZDUSSCGKSA-N	-1	0	308.334	0.476	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(N2CCNC2=O)c1	ZINC001320773726	946015229	/nfs/dbraw/zinc/01/52/29/946015229.db2.gz	POPXMPVANMIRSO-UHFFFAOYSA-N	-1	0	303.318	0.929	20	30		DCEDRM
C=CC[C@H](NC(=O)NCC1CCS(=O)(=O)CC1)C(=O)[O-]	ZINC001321109398	946172564	/nfs/dbraw/zinc/17/25/64/946172564.db2.gz	HMSLFBJRMJYRAD-JTQLQIEISA-N	-1	0	304.368	0.140	20	30		DCEDRM
COC[C@H](C)[N@H+](CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001255566723	946526418	/nfs/dbraw/zinc/52/64/18/946526418.db2.gz	NJCQLBNIEDQXGT-IUCAKERBSA-N	-1	0	302.333	0.037	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-]	ZINC001256551950	946641092	/nfs/dbraw/zinc/64/10/92/946641092.db2.gz	YKPQWRKWVFFZJF-YPMHNXCESA-N	-1	0	317.345	0.576	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1scnc1C1CC1	ZINC001602679292	971259120	/nfs/dbraw/zinc/25/91/20/971259120.db2.gz	MUIIIYIMOGKHBD-UHFFFAOYSA-N	-1	0	307.331	0.505	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2c(n1)CCCC2	ZINC001602679216	971259260	/nfs/dbraw/zinc/25/92/60/971259260.db2.gz	LNAGVWRJPDFDBH-UHFFFAOYSA-N	-1	0	315.329	0.445	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21	ZINC001602682509	971268912	/nfs/dbraw/zinc/26/89/12/971268912.db2.gz	PQVWTRFBFDBVKU-NSHDSACASA-N	-1	0	304.277	0.798	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21	ZINC001602682504	971268985	/nfs/dbraw/zinc/26/89/85/971268985.db2.gz	PQVWTRFBFDBVKU-LLVKDONJSA-N	-1	0	304.277	0.798	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1	ZINC001602683580	971273937	/nfs/dbraw/zinc/27/39/37/971273937.db2.gz	GDCKRNXDFIMFJK-VXGBXAGGSA-N	-1	0	309.366	0.363	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccnc(C(N)=O)c1	ZINC001258207821	946809685	/nfs/dbraw/zinc/80/96/85/946809685.db2.gz	AXYDKINHIXVEQU-UHFFFAOYSA-N	-1	0	302.315	0.275	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC001602684258	971279679	/nfs/dbraw/zinc/27/96/79/971279679.db2.gz	SJXUCVWOCPYXOI-GFCCVEGCSA-N	-1	0	319.365	0.118	20	30		DCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl	ZINC001258352083	946824256	/nfs/dbraw/zinc/82/42/56/946824256.db2.gz	KQBFYDFCPAGRIJ-UHFFFAOYSA-N	-1	0	311.754	0.954	20	30		DCEDRM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1nnccc1C#N	ZINC001258360515	946827911	/nfs/dbraw/zinc/82/79/11/946827911.db2.gz	FPEWJUIEBOBLFN-UHFFFAOYSA-N	-1	0	312.742	0.844	20	30		DCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2c(C)noc2C)c(C#C)n1	ZINC001258531890	946848902	/nfs/dbraw/zinc/84/89/02/946848902.db2.gz	ZYZCHMMQUJHCHU-UHFFFAOYSA-N	-1	0	302.315	0.845	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(OCC(=O)NC)cc1	ZINC001602688043	971287623	/nfs/dbraw/zinc/28/76/23/971287623.db2.gz	AOWVLVXANMKCTA-UHFFFAOYSA-N	-1	0	319.317	0.363	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc(C)c1S(C)(=O)=O	ZINC001602688543	971291571	/nfs/dbraw/zinc/29/15/71/971291571.db2.gz	PDUWEEVSFKMXIM-UHFFFAOYSA-N	-1	0	324.358	0.950	20	30		DCEDRM
COC(=O)CS(=O)(=O)[N-]c1c(C#N)csc1C(=O)OC	ZINC001259018992	946894430	/nfs/dbraw/zinc/89/44/30/946894430.db2.gz	OIWVXWMSDUYRAJ-UHFFFAOYSA-N	-1	0	318.332	0.321	20	30		DCEDRM
CC(=O)c1ccccc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001573557950	946933718	/nfs/dbraw/zinc/93/37/18/946933718.db2.gz	CKXGBUUBEKZTMX-UHFFFAOYSA-N	-1	0	322.288	0.916	20	30		DCEDRM
C=C(C)CN(CC)C(=O)Cn1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1	ZINC001573293612	946963300	/nfs/dbraw/zinc/96/33/00/946963300.db2.gz	CYZGPMHMALXJDL-UHFFFAOYSA-N	-1	0	320.313	0.396	20	30		DCEDRM
N#Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)ccn1	ZINC001260221450	947086964	/nfs/dbraw/zinc/08/69/64/947086964.db2.gz	HASYBDSZZGMHOA-UHFFFAOYSA-N	-1	0	303.299	0.874	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260397922	947098440	/nfs/dbraw/zinc/09/84/40/947098440.db2.gz	LXOODWFXROQRIQ-QMMMGPOBSA-N	-1	0	312.303	0.003	20	30		DCEDRM
Cc1sc([N-]S(=O)(=O)CS(C)(=O)=O)c(C#N)c1C	ZINC001260583449	947116183	/nfs/dbraw/zinc/11/61/83/947116183.db2.gz	DAVQFFMBGMZRLF-UHFFFAOYSA-N	-1	0	308.406	0.980	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1cc(F)c(C#N)c(F)c1	ZINC001260592847	947122771	/nfs/dbraw/zinc/12/27/71/947122771.db2.gz	UJRHXIDUKLFFBX-UHFFFAOYSA-N	-1	0	310.303	0.580	20	30		DCEDRM
C#CCN(CC(=O)[N-]OC1CCC1)CC(=O)[N-]OC1CCC1	ZINC001261910009	947482735	/nfs/dbraw/zinc/48/27/35/947482735.db2.gz	LSRUVIWVIGQLFN-UHFFFAOYSA-N	-1	0	309.366	0.122	20	30		DCEDRM
C=CCn1c([C@H](O)CC)nnc1N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001602729925	971403819	/nfs/dbraw/zinc/40/38/19/971403819.db2.gz	MJMSDYKUKGQAGX-IAQYHMDHSA-N	-1	0	324.381	0.835	20	30		DCEDRM
C=CCCC1(CNC(=O)C(=O)NCC(=O)[N-]OC)CCCC1	ZINC001262315098	947649376	/nfs/dbraw/zinc/64/93/76/947649376.db2.gz	DYQDNIUZBOQXEG-UHFFFAOYSA-N	-1	0	311.382	0.423	20	30		DCEDRM
CC#CCCNC(=O)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602735076	971415846	/nfs/dbraw/zinc/41/58/46/971415846.db2.gz	NLXBGNOFAFXSHH-BGMSHATGSA-N	-1	0	322.361	0.045	20	30		DCEDRM
CC(=O)CC1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCC1	ZINC001573365272	947730262	/nfs/dbraw/zinc/73/02/62/947730262.db2.gz	MBIPBSBJLFKHLF-UHFFFAOYSA-N	-1	0	314.309	0.549	20	30		DCEDRM
N#Cc1cc(NC(=O)C(=O)[N-]OC2CCOCC2)ccc1F	ZINC001325762706	947916777	/nfs/dbraw/zinc/91/67/77/947916777.db2.gz	QABBMVUUVBDZDS-UHFFFAOYSA-N	-1	0	307.281	0.863	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1cnc2c(cnn2C)c1)C(=O)[O-]	ZINC001326027374	948023585	/nfs/dbraw/zinc/02/35/85/948023585.db2.gz	ROZSAMWAQPQCAQ-SNVBAGLBSA-N	-1	0	310.335	0.276	20	30		DCEDRM
C=C(C)CS(=O)(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-]	ZINC001326461505	948170932	/nfs/dbraw/zinc/17/09/32/948170932.db2.gz	ILPTXRYKJDIQLY-SECBINFHSA-N	-1	0	307.759	0.485	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)[N-]OCc1ccccc1)[C@H]1CCCO1	ZINC001327257794	948438016	/nfs/dbraw/zinc/43/80/16/948438016.db2.gz	GLRDETCNMMVDLC-ZIAGYGMSSA-N	-1	0	302.330	0.531	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)Nc2cccc(-c3nn[nH]n3)n2)C1	ZINC001570920393	948598177	/nfs/dbraw/zinc/59/81/77/948598177.db2.gz	MFYQSSPPBQYPJL-CYBMUJFWSA-N	-1	0	314.309	0.144	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cc3n(n2)CCCC3)[n-]c1-c1nn[nH]n1	ZINC001570922938	948651774	/nfs/dbraw/zinc/65/17/74/948651774.db2.gz	PRBQBFWUKSUEOK-UHFFFAOYSA-N	-1	0	324.308	0.247	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CCC(C)(F)F)n1	ZINC001264026801	948838302	/nfs/dbraw/zinc/83/83/02/948838302.db2.gz	KSICHSHHSSWGAG-UHFFFAOYSA-N	-1	0	312.320	0.957	20	30		DCEDRM
CC(C)[C@]1(CO)CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001574091645	949019949	/nfs/dbraw/zinc/01/99/49/949019949.db2.gz	PTNUHRIOULTFSE-CQSZACIVSA-N	-1	0	314.353	0.373	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(F)c1F	ZINC000092479989	949151448	/nfs/dbraw/zinc/15/14/48/949151448.db2.gz	VUIQDIVJGAOICX-UHFFFAOYSA-N	-1	0	307.249	0.812	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC001602796929	971565256	/nfs/dbraw/zinc/56/52/56/971565256.db2.gz	LHMSYUXHICLKMQ-ZJUUUORDSA-N	-1	0	311.338	0.679	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001329973572	950025238	/nfs/dbraw/zinc/02/52/38/950025238.db2.gz	VOYNMGIMOGDMKN-MNOVXSKESA-N	-1	0	323.397	0.428	20	30		DCEDRM
C=CCCC(=O)N(C)C[C@H]1CCN1C(=O)c1cnc[nH]c1=O	ZINC001489724037	950025669	/nfs/dbraw/zinc/02/56/69/950025669.db2.gz	LUODFQBDBKYCDM-LLVKDONJSA-N	-1	0	304.350	0.821	20	30		DCEDRM
CCN(C(=O)C(=O)Nc1cc(C)c(C#N)cn1)[C@@H](C)C(=O)[O-]	ZINC001589696989	950173289	/nfs/dbraw/zinc/17/32/89/950173289.db2.gz	GICJOFWBFRRYEI-VIFPVBQESA-N	-1	0	304.306	0.522	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(C(=O)[O-])cn1	ZINC001589719369	950403049	/nfs/dbraw/zinc/40/30/49/950403049.db2.gz	FEUBCWFXCZWHSL-SNVBAGLBSA-N	-1	0	319.317	0.945	20	30		DCEDRM
CC(C)C#CC(=O)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001330487065	950449863	/nfs/dbraw/zinc/44/98/63/950449863.db2.gz	VNWLMSFGJQMILY-UHFFFAOYSA-N	-1	0	317.393	0.594	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H](CCO)c2ccccc2)c(C#N)c1=O	ZINC001365214722	950753963	/nfs/dbraw/zinc/75/39/63/950753963.db2.gz	MBUGAWNSZHVXGV-LBPRGKRZSA-N	-1	0	314.345	0.523	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001490588009	950910345	/nfs/dbraw/zinc/91/03/45/950910345.db2.gz	PRGSHBCFESUUEW-NSHDSACASA-N	-1	0	321.381	0.184	20	30		DCEDRM
C=CCC1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCOCC1	ZINC001331202067	951016886	/nfs/dbraw/zinc/01/68/86/951016886.db2.gz	IFGQMZLKDLUNQC-UHFFFAOYSA-N	-1	0	317.349	0.313	20	30		DCEDRM
C[C@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001320070394	951609660	/nfs/dbraw/zinc/60/96/60/951609660.db2.gz	IPFIJHFDLLMWAO-QMMMGPOBSA-N	-1	0	317.396	0.045	20	30		DCEDRM
C=CCN1C(=O)COCC12CN(Cc1cc(C#N)ccc1[O-])C2	ZINC001274668345	951780245	/nfs/dbraw/zinc/78/02/45/951780245.db2.gz	YKBKHVRIFFPMLK-UHFFFAOYSA-N	-1	0	313.357	0.863	20	30		DCEDRM
O=C([O-])Cc1cccc(NC(=O)N[C@H]2CCCN(O)C2=O)c1	ZINC001595132252	952041894	/nfs/dbraw/zinc/04/18/94/952041894.db2.gz	PCPYFKAFRCLBRD-NSHDSACASA-N	-1	0	307.306	0.815	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCc2ccc(O)cc2)c(=O)[n-]c1=O	ZINC001411913873	952536207	/nfs/dbraw/zinc/53/62/07/952536207.db2.gz	ZLLXCAIBESUJFO-UHFFFAOYSA-N	-1	0	314.301	0.233	20	30		DCEDRM
N#CC1(NC(=O)[C@]23C[C@H]2CCN3C(=O)c2cc(=O)[nH][n-]2)CCC1	ZINC001276022895	952628925	/nfs/dbraw/zinc/62/89/25/952628925.db2.gz	NHXWQJJLBUMDDB-PSLIRLAXSA-N	-1	0	315.333	0.282	20	30		DCEDRM
CC(C)c1ncc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001412070384	952630788	/nfs/dbraw/zinc/63/07/88/952630788.db2.gz	XDTNGVLVKZNTMA-UHFFFAOYSA-N	-1	0	314.305	0.373	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1(C(=O)[O-])CCOCC1	ZINC001336242475	952665935	/nfs/dbraw/zinc/66/59/35/952665935.db2.gz	FZGWWHPPHHNPTF-OLZOCXBDSA-N	-1	0	308.378	0.470	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](Cc1ccccc1)C(N)=O	ZINC001412450751	952806827	/nfs/dbraw/zinc/80/68/27/952806827.db2.gz	CKBRBOCBFPSLCP-CYBMUJFWSA-N	-1	0	324.340	0.794	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)CCCCS(C)(=O)=O	ZINC001338216711	952980606	/nfs/dbraw/zinc/98/06/06/952980606.db2.gz	SPHLTPILLXIILG-UHFFFAOYSA-N	-1	0	323.436	0.451	20	30		DCEDRM
CCc1cc(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)no1	ZINC001412805802	953103527	/nfs/dbraw/zinc/10/35/27/953103527.db2.gz	NBUJYMVSUXXSIL-UHFFFAOYSA-N	-1	0	315.289	0.068	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN2CCOC[C@@H]2C1	ZINC001412809551	953106822	/nfs/dbraw/zinc/10/68/22/953106822.db2.gz	KUOCVUDXKMRLME-LBPRGKRZSA-N	-1	0	302.334	0.124	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CSCN1C(=O)CCC)C(=O)[O-]	ZINC001339863059	953125149	/nfs/dbraw/zinc/12/51/49/953125149.db2.gz	YEQNUAWUDPQEPD-ZJUUUORDSA-N	-1	0	300.380	0.834	20	30		DCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N(C)[C@@H]1CC[C@@H]1OC	ZINC001340358833	953164256	/nfs/dbraw/zinc/16/42/56/953164256.db2.gz	MOALNEFDLBNAKR-MNOVXSKESA-N	-1	0	318.385	0.376	20	30		DCEDRM
COC(=O)c1cnc(C([O-])=C(C#N)C(=O)NC2CCCC2)cn1	ZINC001341903552	953257398	/nfs/dbraw/zinc/25/73/98/953257398.db2.gz	MWFKUUDALBXSJX-JTQLQIEISA-N	-1	0	316.317	0.644	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(C(N)=O)s1	ZINC001342643426	953299916	/nfs/dbraw/zinc/29/99/16/953299916.db2.gz	RUCTVGXXNWUQAS-SSDOTTSWSA-N	-1	0	302.315	0.786	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1nc(C2CC2)nn1C	ZINC001342713161	953303600	/nfs/dbraw/zinc/30/36/00/953303600.db2.gz	YPLJHKLTZHLDSD-JTQLQIEISA-N	-1	0	312.333	0.560	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc(CC)n(C)n1	ZINC001343463904	953347573	/nfs/dbraw/zinc/34/75/73/953347573.db2.gz	SNZBVHMYRBVXMV-GFCCVEGCSA-N	-1	0	306.366	0.848	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)[N-]OC/C=C\Cl)n(CCC#N)n1	ZINC001343534778	953352767	/nfs/dbraw/zinc/35/27/67/953352767.db2.gz	PCRGCLAYYHOXFQ-RQOWECAXSA-N	-1	0	311.729	0.844	20	30		DCEDRM
C=CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@@H]1CCCCO1	ZINC001347158698	954033944	/nfs/dbraw/zinc/03/39/44/954033944.db2.gz	IUOKSTQFJGBBNS-NSHDSACASA-N	-1	0	318.381	0.693	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001284080366	954834239	/nfs/dbraw/zinc/83/42/39/954834239.db2.gz	VLRDLCQSMXRBDF-AOOOYVTPSA-N	-1	0	308.338	0.003	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H]1NC(=O)c2ccccc21	ZINC001350251456	955035536	/nfs/dbraw/zinc/03/55/36/955035536.db2.gz	IRHCCSOUFBNDCI-GFCCVEGCSA-N	-1	0	306.343	0.331	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001593835557	955177826	/nfs/dbraw/zinc/17/78/26/955177826.db2.gz	BBUPBXZJQOTDBF-QWRGUYRKSA-N	-1	0	312.322	0.172	20	30		DCEDRM
C[C@H](CC(=O)[O-])NC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC001589000472	955318695	/nfs/dbraw/zinc/31/86/95/955318695.db2.gz	YZLCXOXKIZNDME-LLVKDONJSA-N	-1	0	317.349	0.648	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)NCC1CCC(C#N)CC1)C(=O)[O-]	ZINC001589020767	955468330	/nfs/dbraw/zinc/46/83/30/955468330.db2.gz	VXLODMNCVFCUOZ-UNXYVOJBSA-N	-1	0	309.366	0.612	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNC(=O)C#CC(C)(C)C)c1[O-]	ZINC001285523445	955761648	/nfs/dbraw/zinc/76/16/48/955761648.db2.gz	JJXBYTNBAHVIEJ-AATRIKPKSA-N	-1	0	318.377	0.875	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)NCC1CCN(CC#N)CC1	ZINC001594566080	955847912	/nfs/dbraw/zinc/84/79/12/955847912.db2.gz	YJUPUBRMMSOFPT-UHFFFAOYSA-N	-1	0	305.338	0.084	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1	ZINC001594601742	956139109	/nfs/dbraw/zinc/13/91/09/956139109.db2.gz	GILZRJCCFWABPZ-RPFQZYLTSA-N	-1	0	311.313	0.210	20	30		DCEDRM
N#CC1(CC(=O)N(CC(=O)[O-])C2CCOCC2)CCOCC1	ZINC001594603907	956159223	/nfs/dbraw/zinc/15/92/23/956159223.db2.gz	KXBMORVFGLAAJL-UHFFFAOYSA-N	-1	0	310.350	0.789	20	30		DCEDRM
N#C[C@H]1CN(C(=O)C2(CC(=O)[O-])CCOCC2)CCN1C1CC1	ZINC001594606088	956177329	/nfs/dbraw/zinc/17/73/29/956177329.db2.gz	QCKWJLXDSCVAFH-ZDUSSCGKSA-N	-1	0	321.377	0.457	20	30		DCEDRM
N#CCCCCCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001594608998	956189054	/nfs/dbraw/zinc/18/90/54/956189054.db2.gz	HDEMLFMXBIHFMT-SNVBAGLBSA-N	-1	0	302.352	0.171	20	30		DCEDRM
C=CC[C@H](NC(=O)N[C@H]1CCN(CC(F)(F)F)C1)C(=O)[O-]	ZINC001354039567	956258248	/nfs/dbraw/zinc/25/82/48/956258248.db2.gz	QZPIGOBKVPMCLP-IUCAKERBSA-N	-1	0	309.288	0.952	20	30		DCEDRM
N#Cc1ccc([C@H]2CN(C(=O)COCC(=O)[O-])CCO2)cc1	ZINC001594618051	956259507	/nfs/dbraw/zinc/25/95/07/956259507.db2.gz	AHXAECDFYMTHQV-CYBMUJFWSA-N	-1	0	304.302	0.559	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H](c1cncn1C)N(C)C)C(=O)[O-]	ZINC001354072986	956272868	/nfs/dbraw/zinc/27/28/68/956272868.db2.gz	UQLVCYJLQCJDRQ-AAEUAGOBSA-N	-1	0	308.382	0.949	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@H](c1cncn1C)N(C)C)C(=O)[O-]	ZINC001354072987	956273292	/nfs/dbraw/zinc/27/32/92/956273292.db2.gz	UQLVCYJLQCJDRQ-DGCLKSJQSA-N	-1	0	308.382	0.949	20	30		DCEDRM
N#Cc1ccc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)nc1	ZINC001594620885	956281080	/nfs/dbraw/zinc/28/10/80/956281080.db2.gz	UDPDROMIYFTFCW-UHFFFAOYSA-N	-1	0	324.362	0.084	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)c2cnc(C(=O)[O-])cn2)nc1	ZINC001594622712	956292527	/nfs/dbraw/zinc/29/25/27/956292527.db2.gz	HOYUPBRKNQXCNR-UHFFFAOYSA-N	-1	0	312.289	0.283	20	30		DCEDRM
N#Cc1ccc(OC2CN(C(=O)c3cnc(C(=O)[O-])cn3)C2)cc1	ZINC001594623585	956297924	/nfs/dbraw/zinc/29/79/24/956297924.db2.gz	BYONJFVIODIIQN-UHFFFAOYSA-N	-1	0	324.296	0.950	20	30		DCEDRM
N#Cc1ccnc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c1	ZINC001594632202	956349923	/nfs/dbraw/zinc/34/99/23/956349923.db2.gz	XKDOMJVXPDLDEH-SNVBAGLBSA-N	-1	0	302.290	0.215	20	30		DCEDRM
N#Cc1ccnc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c1	ZINC001594632201	956351033	/nfs/dbraw/zinc/35/10/33/956351033.db2.gz	XKDOMJVXPDLDEH-JTQLQIEISA-N	-1	0	302.290	0.215	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)Nc2ccccc2C(=O)[O-])n1	ZINC001594635085	956367419	/nfs/dbraw/zinc/36/74/19/956367419.db2.gz	IQJOUJBSXWISPC-UHFFFAOYSA-N	-1	0	300.278	0.670	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(OCC#N)cc1	ZINC001603121049	972205951	/nfs/dbraw/zinc/20/59/51/972205951.db2.gz	QBYADMJJNPLFGO-VIFPVBQESA-N	-1	0	305.290	0.507	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)Nc1cccc(CC#N)c1)C(=O)[O-]	ZINC001603145039	972241982	/nfs/dbraw/zinc/24/19/82/972241982.db2.gz	MDEICEZAOZEFNH-JTQLQIEISA-N	-1	0	303.318	0.870	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](NC(=O)C#CC2CC2)C(C)C)c1[O-]	ZINC001357093585	957208478	/nfs/dbraw/zinc/20/84/78/957208478.db2.gz	REICTKYPMXTJKH-LBPRGKRZSA-N	-1	0	318.377	0.708	20	30		DCEDRM
C=CC(C)(C)C(=O)NCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001292996891	957228824	/nfs/dbraw/zinc/22/88/24/957228824.db2.gz	SDMKUYBHIKSVSS-UHFFFAOYSA-N	-1	0	318.333	0.987	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@@H](C#N)C3CC3)cc2=O)n1	ZINC001293115288	957274903	/nfs/dbraw/zinc/27/49/03/957274903.db2.gz	ATQJNGYJMFXSAP-LBPRGKRZSA-N	-1	0	312.333	0.604	20	30		DCEDRM
CN(CCCC(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC001263025892	957280291	/nfs/dbraw/zinc/28/02/91/957280291.db2.gz	URISAHCBVHZSEO-UHFFFAOYSA-N	-1	0	305.338	0.871	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNC(=O)CSCC#N)c1[O-]	ZINC001357591987	957325393	/nfs/dbraw/zinc/32/53/93/957325393.db2.gz	BJKLFGPSHVFFDH-NSCUHMNNSA-N	-1	0	323.378	0.083	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001294180680	957492330	/nfs/dbraw/zinc/49/23/30/957492330.db2.gz	NBFBFPHHINKUPB-UHFFFAOYSA-N	-1	0	306.253	0.479	20	30		DCEDRM
Cn1c(=O)[n-]c(NCCc2ccc(F)cc2F)c(C#N)c1=O	ZINC001413882524	957511002	/nfs/dbraw/zinc/51/10/02/957511002.db2.gz	VGGYWGWRYFILNR-UHFFFAOYSA-N	-1	0	306.272	0.878	20	30		DCEDRM
CCCCn1cc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c(C)n1	ZINC001413883434	957516501	/nfs/dbraw/zinc/51/65/01/957516501.db2.gz	CABPXFYEWFCESH-UHFFFAOYSA-N	-1	0	316.365	0.862	20	30		DCEDRM
COC(=O)CN(CC#N)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001360711974	957830144	/nfs/dbraw/zinc/83/01/44/957830144.db2.gz	RWNBHZGHKZNQJS-UHFFFAOYSA-N	-1	0	320.330	0.520	20	30		DCEDRM
C#CC1(O)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	ZINC001588385343	957969526	/nfs/dbraw/zinc/96/95/26/957969526.db2.gz	DZOJRKWIAOZEJB-UHFFFAOYSA-N	-1	0	310.350	0.038	20	30		DCEDRM
Cc1cc(Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)c(C)s1	ZINC001594309243	957998810	/nfs/dbraw/zinc/99/88/10/957998810.db2.gz	RBLMHZPZQOPJIG-UHFFFAOYSA-N	-1	0	319.342	0.693	20	30		DCEDRM
C#CC1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1	ZINC001588388891	958001247	/nfs/dbraw/zinc/00/12/47/958001247.db2.gz	HYHKKYDIWXIILX-CYBMUJFWSA-N	-1	0	306.362	0.572	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1	ZINC001588400315	958081334	/nfs/dbraw/zinc/08/13/34/958081334.db2.gz	VNPIDEBJZKOGOI-NSHDSACASA-N	-1	0	318.304	0.725	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cccc(N2CCCC2=O)c1	ZINC001588407211	958098507	/nfs/dbraw/zinc/09/85/07/958098507.db2.gz	JBVZDKVCWLCFOS-UHFFFAOYSA-N	-1	0	314.341	0.902	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1COC2(CCCCC2)O1	ZINC001588408662	958114127	/nfs/dbraw/zinc/11/41/27/958114127.db2.gz	XUUYIWRGLCYTDW-GFCCVEGCSA-N	-1	0	310.350	0.792	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc2c(c1)ncn2C	ZINC001588408789	958118323	/nfs/dbraw/zinc/11/83/23/958118323.db2.gz	DZXRHEQNAGPWGX-UHFFFAOYSA-N	-1	0	300.318	0.803	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1nccn1CC(F)(F)F	ZINC001588409493	958127585	/nfs/dbraw/zinc/12/75/85/958127585.db2.gz	XVXYZMXOAUWPJW-UHFFFAOYSA-N	-1	0	318.255	0.675	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C	ZINC001588409579	958129263	/nfs/dbraw/zinc/12/92/63/958129263.db2.gz	ZVEJXAGFWSRHSE-JTQLQIEISA-N	-1	0	313.354	0.629	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1	ZINC001588409830	958132692	/nfs/dbraw/zinc/13/26/92/958132692.db2.gz	LGHRBRJXFGXSRE-BXUZGUMPSA-N	-1	0	312.391	0.771	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@]1(C)CCS(=O)(=O)C1	ZINC001361620021	958142127	/nfs/dbraw/zinc/14/21/27/958142127.db2.gz	YGPYSDNYYXWYSK-CYBMUJFWSA-N	-1	0	309.347	0.274	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc2c(c1)OCC(=O)N2C	ZINC001588412702	958153275	/nfs/dbraw/zinc/15/32/75/958153275.db2.gz	IAXJCRVIOWLYFR-UHFFFAOYSA-N	-1	0	317.301	0.594	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(OCC(=O)OC)cc1	ZINC001588419203	958194057	/nfs/dbraw/zinc/19/40/57/958194057.db2.gz	XMFTWYZRGDSKBA-UHFFFAOYSA-N	-1	0	305.286	0.398	20	30		DCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NCC(F)(F)F	ZINC001603216074	972329542	/nfs/dbraw/zinc/32/95/42/972329542.db2.gz	NQKCGJGXRCWSGY-WKEGUHRASA-N	-1	0	309.244	0.174	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2c[nH]c3ncccc23)n1C	ZINC001588426240	958227977	/nfs/dbraw/zinc/22/79/77/958227977.db2.gz	CKUBRTYVFMDFAX-UHFFFAOYSA-N	-1	0	310.317	0.883	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnnn1[C@@H]1CCO[C@H](C2CC2)C1	ZINC001588426722	958232019	/nfs/dbraw/zinc/23/20/19/958232019.db2.gz	ACCKSHLNBKUVHL-NEPJUHHUSA-N	-1	0	305.338	0.327	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001588426981	958237356	/nfs/dbraw/zinc/23/73/56/958237356.db2.gz	IXBRPWVAJPKIDH-SNVBAGLBSA-N	-1	0	310.306	0.019	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCc3c[nH]nc3C2)n1C	ZINC001588427100	958239575	/nfs/dbraw/zinc/23/95/75/958239575.db2.gz	MFFBGAIOTYRPQX-JTQLQIEISA-N	-1	0	314.349	0.335	20	30		DCEDRM
CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)C#CC(C)C	ZINC001297385066	958241138	/nfs/dbraw/zinc/24/11/38/958241138.db2.gz	APVKDZMZTKNOSL-NSHDSACASA-N	-1	0	306.366	0.708	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	ZINC001588429677	958247534	/nfs/dbraw/zinc/24/75/34/958247534.db2.gz	ALAAMFRIRWCXBZ-CYBMUJFWSA-N	-1	0	307.394	0.980	20	30		DCEDRM
C#CCN(CCS(=O)(=O)CC(=O)[O-])Cc1ccc(F)cc1	ZINC001588432289	958278559	/nfs/dbraw/zinc/27/85/59/958278559.db2.gz	JDKOKETWKNPEBW-UHFFFAOYSA-N	-1	0	313.350	0.760	20	30		DCEDRM
C=C(C)Cn1c([C@H](O)COC)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588441367	958337277	/nfs/dbraw/zinc/33/72/77/958337277.db2.gz	BQNWBPHCVLTPDA-IAQYHMDHSA-N	-1	0	324.381	0.835	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001297803472	958345852	/nfs/dbraw/zinc/34/58/52/958345852.db2.gz	WZDKZQCYLYIOJK-NSHDSACASA-N	-1	0	318.333	0.323	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1	ZINC001361810922	958357531	/nfs/dbraw/zinc/35/75/31/958357531.db2.gz	UGDQRLYZDLKQNC-NWDGAFQWSA-N	-1	0	318.377	0.806	20	30		DCEDRM
N#CCOc1cccc(CNC(=O)CCCc2nnn[n-]2)c1	ZINC001361832234	958383644	/nfs/dbraw/zinc/38/36/44/958383644.db2.gz	HKIQNTHGISJLCA-UHFFFAOYSA-N	-1	0	300.322	0.741	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H]1C(=O)NC1CC1	ZINC001361851752	958405234	/nfs/dbraw/zinc/40/52/34/958405234.db2.gz	ADSUBOSTMCTOEH-GFCCVEGCSA-N	-1	0	314.345	0.851	20	30		DCEDRM
C#Cc1cccc(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c1	ZINC001573327016	958482293	/nfs/dbraw/zinc/48/22/93/958482293.db2.gz	ADYNOVZWRWTCKX-AWEZNQCLSA-N	-1	0	314.341	0.607	20	30		DCEDRM
C=CCOCCNC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588466543	958515655	/nfs/dbraw/zinc/51/56/55/958515655.db2.gz	YQWCHSFMNMKYCM-MQYJIDSJSA-N	-1	0	312.366	0.901	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)C(=O)OC	ZINC001573337496	958523107	/nfs/dbraw/zinc/52/31/07/958523107.db2.gz	PIYGPOXKHWFTTN-RXNFCKPNSA-N	-1	0	323.301	0.851	20	30		DCEDRM
C=CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1C1(CO)CCC1	ZINC001588471936	958538450	/nfs/dbraw/zinc/53/84/50/958538450.db2.gz	GYSFXEDVWLGVMF-NSHDSACASA-N	-1	0	306.366	0.789	20	30		DCEDRM
C=CCn1c(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nnc1C1(O)CC1	ZINC001588472571	958544751	/nfs/dbraw/zinc/54/47/51/958544751.db2.gz	PDSYCVWPKSKONH-NWDGAFQWSA-N	-1	0	318.377	0.993	20	30		DCEDRM
C=CCn1c([C@H](C)O)nnc1N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588474646	958557046	/nfs/dbraw/zinc/55/70/46/958557046.db2.gz	LTHVYIUOZXCSKI-IINYFYTJSA-N	-1	0	310.354	0.445	20	30		DCEDRM
CSc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001362030378	958629448	/nfs/dbraw/zinc/62/94/48/958629448.db2.gz	MHVZSTJPZAAVIY-UHFFFAOYSA-N	-1	0	317.330	0.576	20	30		DCEDRM
C[C@H](Cc1ccco1)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362041740	958644173	/nfs/dbraw/zinc/64/41/73/958644173.db2.gz	KAPKORXRDCYUQG-SNVBAGLBSA-N	-1	0	316.317	0.551	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](CO)CC1CCOCC1	ZINC001588538792	958943594	/nfs/dbraw/zinc/94/35/94/958943594.db2.gz	NOLYLJJYHFZDLW-WFASDCNBSA-N	-1	0	312.366	0.532	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nc([C@@H]2CCCO2)n[nH]1	ZINC001588541465	958962454	/nfs/dbraw/zinc/96/24/54/958962454.db2.gz	BYJNXSPCIKYVNE-ISVAXAHUSA-N	-1	0	307.310	0.277	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-]	ZINC001588542665	958972877	/nfs/dbraw/zinc/97/28/77/958972877.db2.gz	BIHXHNRVSNPVEE-PWSUYJOCSA-N	-1	0	304.302	0.849	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc2cnccc21)C(=O)[O-]	ZINC000159589603	959121038	/nfs/dbraw/zinc/12/10/38/959121038.db2.gz	VMUNUMKYBZHKMQ-GFCCVEGCSA-N	-1	0	304.327	0.990	20	30		DCEDRM
C[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCCOC1	ZINC001362312482	959122399	/nfs/dbraw/zinc/12/23/99/959122399.db2.gz	RFCVGRDNMKXARX-QWRGUYRKSA-N	-1	0	320.349	0.142	20	30		DCEDRM
CN(CCC1CCOCC1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362426700	959331813	/nfs/dbraw/zinc/33/18/13/959331813.db2.gz	FUWKNKMVUYXBOE-UHFFFAOYSA-N	-1	0	320.349	0.096	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC[C@H]1[C@H]1CCCO1	ZINC001362523259	959521499	/nfs/dbraw/zinc/52/14/99/959521499.db2.gz	BRDNNAOULFZRLR-QWHCGFSZSA-N	-1	0	317.345	0.987	20	30		DCEDRM
CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588640947	959692145	/nfs/dbraw/zinc/69/21/45/959692145.db2.gz	RIJFXLFRTWDRPD-OAHLLOKOSA-N	-1	0	305.334	0.991	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2(Cc3ccccc3)CC2)c(=O)[n-]c1=O	ZINC001362679271	959818158	/nfs/dbraw/zinc/81/81/58/959818158.db2.gz	LOKZEEOAXZSYMK-UHFFFAOYSA-N	-1	0	324.340	0.712	20	30		DCEDRM
C=C(Cl)CN(C)CCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001368554153	960018229	/nfs/dbraw/zinc/01/82/29/960018229.db2.gz	RBZDFXYDEORAOV-UHFFFAOYSA-N	-1	0	315.761	0.429	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CC3CCC2CC3)c(=O)[n-]c1=O	ZINC001362901790	960152553	/nfs/dbraw/zinc/15/25/53/960152553.db2.gz	YINWCAGADOQMAP-RTYFJBAXSA-N	-1	0	302.334	0.515	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001316801483	960379512	/nfs/dbraw/zinc/37/95/12/960379512.db2.gz	SYHMHVWJZWVKAG-MNOVXSKESA-N	-1	0	309.370	0.182	20	30		DCEDRM
N#C[C@]1(c2ccccn2)CCCN(C(=O)CCc2nnn[n-]2)C1	ZINC001363152152	960493377	/nfs/dbraw/zinc/49/33/77/960493377.db2.gz	YSORBUWYWBIGOC-OAHLLOKOSA-N	-1	0	311.349	0.611	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H](O)Cc2ccc(F)cc2)c(C#N)c1=O	ZINC001363163852	960514290	/nfs/dbraw/zinc/51/42/90/960514290.db2.gz	XFJACNCMWULMDG-NSHDSACASA-N	-1	0	318.308	0.100	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)Cc2ccc(Cl)cc2)c1=O	ZINC001363186527	960560756	/nfs/dbraw/zinc/56/07/56/960560756.db2.gz	SWEXHSFZOWTSBB-UHFFFAOYSA-N	-1	0	303.705	0.873	20	30		DCEDRM
CC(C)n1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001363289157	960802724	/nfs/dbraw/zinc/80/27/24/960802724.db2.gz	VGYNNOZLGUTWEQ-UHFFFAOYSA-N	-1	0	316.321	0.028	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NCc2nc(C(=O)[O-])co2)nc1	ZINC001571074357	960935738	/nfs/dbraw/zinc/93/57/38/960935738.db2.gz	HUCCKKCOHPPGMS-UHFFFAOYSA-N	-1	0	301.262	0.368	20	30		DCEDRM
Cc1c(C(=O)NCc2nc(C(=O)[O-])co2)cnn1CCC#N	ZINC001571079172	960973119	/nfs/dbraw/zinc/97/31/19/960973119.db2.gz	DQQAISOFAWJSQP-UHFFFAOYSA-N	-1	0	303.278	0.721	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC001571086042	961062426	/nfs/dbraw/zinc/06/24/26/961062426.db2.gz	GXMMVWYIBIAXPE-LBPRGKRZSA-N	-1	0	304.368	0.479	20	30		DCEDRM
COC[C@@H](NC(=O)c1cccc(SCC#N)c1)c1nnn[n-]1	ZINC001363437956	961153494	/nfs/dbraw/zinc/15/34/94/961153494.db2.gz	RWVHFHPUQJUZOW-LLVKDONJSA-N	-1	0	318.362	0.933	20	30		DCEDRM
N#CC1(CC(=O)N2CCOC[C@@H]2c2nnn[n-]2)CCCCC1	ZINC001363509701	961308951	/nfs/dbraw/zinc/30/89/51/961308951.db2.gz	BEMAQZILGRUKRU-LLVKDONJSA-N	-1	0	304.354	0.964	20	30		DCEDRM
C#CC[C@@H](NC(=O)CC1CCN(CC(F)F)CC1)C(=O)[O-]	ZINC001332151365	961487586	/nfs/dbraw/zinc/48/75/86/961487586.db2.gz	YJBOLYIRHSWACU-LLVKDONJSA-N	-1	0	302.321	0.946	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cnc(C(=O)[O-])cn1	ZINC001588812307	961525881	/nfs/dbraw/zinc/52/58/81/961525881.db2.gz	HUGFFFBFGBPHDF-CQSZACIVSA-N	-1	0	320.305	0.386	20	30		DCEDRM
CO[C@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)[C@H](C(=O)[O-])C1	ZINC001571131643	961562602	/nfs/dbraw/zinc/56/26/02/961562602.db2.gz	NXOWFNMVBWLIII-QWRGUYRKSA-N	-1	0	316.379	0.574	20	30		DCEDRM
Cn1nccc1[C@@H](NC(=O)Nc1cccc(CC#N)n1)C(=O)[O-]	ZINC001574472623	961612354	/nfs/dbraw/zinc/61/23/54/961612354.db2.gz	PGNGPDXPONNCNC-GFCCVEGCSA-N	-1	0	314.305	0.829	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@H](CC2OCCO2)C(=O)[O-])cc1	ZINC001571143307	961693514	/nfs/dbraw/zinc/69/35/14/961693514.db2.gz	RYOFPFZLKPZTQP-GFCCVEGCSA-N	-1	0	319.317	0.303	20	30		DCEDRM
CCCOc1ncccc1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363715429	961750086	/nfs/dbraw/zinc/75/00/86/961750086.db2.gz	FWWVKMBNXVKCBO-UHFFFAOYSA-N	-1	0	315.333	0.741	20	30		DCEDRM
Cc1nc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)oc1C	ZINC001363717586	961752314	/nfs/dbraw/zinc/75/23/14/961752314.db2.gz	HWVXYQPOHJTMIL-UHFFFAOYSA-N	-1	0	317.305	0.132	20	30		DCEDRM
COc1ccc(OC)c(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001363724183	961766346	/nfs/dbraw/zinc/76/63/46/961766346.db2.gz	UNOHLOOOMUIYOR-UHFFFAOYSA-N	-1	0	316.317	0.575	20	30		DCEDRM
Cc1oc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)nc1C1CC1	ZINC001363780776	961868597	/nfs/dbraw/zinc/86/85/97/961868597.db2.gz	NQZLPBVZJZFUCY-UHFFFAOYSA-N	-1	0	315.289	0.633	20	30		DCEDRM
C[C@@](Cn1cccn1)(NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001571163843	961957715	/nfs/dbraw/zinc/95/77/15/961957715.db2.gz	SQZRVJPNKZYQKC-LBPRGKRZSA-N	-1	0	324.318	0.170	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)c2cnc3n2CCC3)CC1	ZINC001571164543	961976077	/nfs/dbraw/zinc/97/60/77/961976077.db2.gz	APIHNXXSRKGBEI-UHFFFAOYSA-N	-1	0	324.362	0.208	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001571166544	962001650	/nfs/dbraw/zinc/00/16/50/962001650.db2.gz	XKZANQMWNVEKNM-DGCLKSJQSA-N	-1	0	324.358	0.521	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2cnn(CCF)c2)c(=O)[n-]c1=O	ZINC001363990591	962254170	/nfs/dbraw/zinc/25/41/70/962254170.db2.gz	IZAQIPAVMVXOTG-UHFFFAOYSA-N	-1	0	320.284	0.015	20	30		DCEDRM
Cc1cc(=O)[nH]c(N2CC[C@H](NC(=O)c3coc(C#N)c3)C2)n1	ZINC001364054180	962380731	/nfs/dbraw/zinc/38/07/31/962380731.db2.gz	FMNBZRSJWAKLOK-NSHDSACASA-N	-1	0	313.317	0.964	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1	ZINC001349109844	962461030	/nfs/dbraw/zinc/46/10/30/962461030.db2.gz	NPOOWOBNXKXQCZ-QMMMGPOBSA-N	-1	0	318.376	0.807	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H]2CCC[C@@H](F)C2)c(=O)[n-]c1=O	ZINC001364106934	962481859	/nfs/dbraw/zinc/48/18/59/962481859.db2.gz	IMCVSFHAHXPART-GXSJLCMTSA-N	-1	0	308.313	0.465	20	30		DCEDRM
Cn1c(=O)[n-]c(Oc2ccc(S(C)(=O)=O)cc2)c(C#N)c1=O	ZINC001364135941	962539196	/nfs/dbraw/zinc/53/91/96/962539196.db2.gz	LYRHJBUZKAOJPX-UHFFFAOYSA-N	-1	0	321.314	0.141	20	30		DCEDRM
Cc1ccccc1C[C@@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364165239	962594489	/nfs/dbraw/zinc/59/44/89/962594489.db2.gz	AMVFCPSDVDLCMZ-LBPRGKRZSA-N	-1	0	314.345	0.269	20	30		DCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H](O)c1ccc(F)cc1	ZINC001364167485	962599963	/nfs/dbraw/zinc/59/99/63/962599963.db2.gz	FHNPIZIUXIBVSC-QPUJVOFHSA-N	-1	0	318.308	0.618	20	30		DCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H](O)c1ccc(F)cc1	ZINC001364167481	962599996	/nfs/dbraw/zinc/59/99/96/962599996.db2.gz	FHNPIZIUXIBVSC-PRHODGIISA-N	-1	0	318.308	0.618	20	30		DCEDRM
C#CCCCCC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573302611	962657643	/nfs/dbraw/zinc/65/76/43/962657643.db2.gz	CWUOVEDVKNRHRS-CHWSQXEVSA-N	-1	0	306.362	0.475	20	30		DCEDRM
C#CCCCC(=O)NCC1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573302846	962662970	/nfs/dbraw/zinc/66/29/70/962662970.db2.gz	GTBLFMSJSOGLQJ-UONOGXRCSA-N	-1	0	320.389	0.865	20	30		DCEDRM
C#CCCCCC(=O)N1CC[C@@H](NC(=O)CNC(=O)[O-])[C@@H](C)C1	ZINC001573303264	962673731	/nfs/dbraw/zinc/67/37/31/962673731.db2.gz	NCODGLRGDIKJBR-QWHCGFSZSA-N	-1	0	323.393	0.801	20	30		DCEDRM
C#CCCCC(=O)NC1(CNC(=O)CNC(=O)[O-])CCCCC1	ZINC001573303580	962679965	/nfs/dbraw/zinc/67/99/65/962679965.db2.gz	PQZVPQBAKHMLNZ-UHFFFAOYSA-N	-1	0	323.393	0.993	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CCN1C(=O)CNC(=O)[O-]	ZINC001573321046	962754374	/nfs/dbraw/zinc/75/43/74/962754374.db2.gz	HUYYHKFZMWCBQV-LLVKDONJSA-N	-1	0	311.382	0.916	20	30		DCEDRM
C=C1CCC(C(=O)N2CCN(C(=O)CNC(=O)[O-])CC2)CC1	ZINC001573343467	962903956	/nfs/dbraw/zinc/90/39/56/962903956.db2.gz	FFDSUJNEJRHCJX-UHFFFAOYSA-N	-1	0	309.366	0.671	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C(=O)CNC(=O)[O-])C2)C1	ZINC001573343897	962909105	/nfs/dbraw/zinc/90/91/05/962909105.db2.gz	KYDQBTIBBJHLDZ-LLVKDONJSA-N	-1	0	309.366	0.670	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)CNC(=O)[O-])C2)C1	ZINC001573343898	962910061	/nfs/dbraw/zinc/91/00/61/962910061.db2.gz	KYDQBTIBBJHLDZ-NSHDSACASA-N	-1	0	309.366	0.670	20	30		DCEDRM
C=CCC(CC=C)C(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])C[C@H]1C	ZINC001573351203	962976736	/nfs/dbraw/zinc/97/67/36/962976736.db2.gz	QTPGZNPAALOADK-DGCLKSJQSA-N	-1	0	323.393	0.986	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CCC2N=NC(=O)N2C1)C(=O)[O-]	ZINC001573358371	963026462	/nfs/dbraw/zinc/02/64/62/963026462.db2.gz	YTJHQMJCWRBEQE-VHSXEESVSA-N	-1	0	308.338	0.472	20	30		DCEDRM
C=CCOCC(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1	ZINC001573368185	963076417	/nfs/dbraw/zinc/07/64/17/963076417.db2.gz	BKSJLLDPGKMZAC-UHFFFAOYSA-N	-1	0	306.322	0.438	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C[C@@H]1C	ZINC001573368922	963088143	/nfs/dbraw/zinc/08/81/43/963088143.db2.gz	LIOLNWPROITYQI-JQWIXIFHSA-N	-1	0	320.349	0.779	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001573369688	963099711	/nfs/dbraw/zinc/09/97/11/963099711.db2.gz	XGYRLVWEKMVTJO-ZJUUUORDSA-N	-1	0	301.339	0.736	20	30		DCEDRM
C[C@@H](CCC1CC1)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001369570854	965182007	/nfs/dbraw/zinc/18/20/07/965182007.db2.gz	SQGZHKCGBXKHCM-JTQLQIEISA-N	-1	0	319.365	0.698	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ccc(C#N)n2C)n1CC	ZINC001588426579	969882121	/nfs/dbraw/zinc/88/21/21/969882121.db2.gz	PPTCNEOBJSOREB-UHFFFAOYSA-N	-1	0	312.333	0.699	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001609696230	970456398	/nfs/dbraw/zinc/45/63/98/970456398.db2.gz	DGCXWFVNXLZYQM-RYUDHWBXSA-N	-1	0	309.366	0.708	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000320295663	970643776	/nfs/dbraw/zinc/64/37/76/970643776.db2.gz	RDAWQOWZNBEZGB-MRVPVSSYSA-N	-1	0	303.311	0.739	20	30		DCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)NCc1ccc(C#N)c(F)c1	ZINC001604134182	972545613	/nfs/dbraw/zinc/54/56/13/972545613.db2.gz	UMSFEFMBUIAMFT-UHFFFAOYSA-N	-1	0	307.281	0.247	20	30		DCEDRM
Cc1cc(F)ccc1Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001605179162	972892744	/nfs/dbraw/zinc/89/27/44/972892744.db2.gz	HORUWTVWIQDKFL-UHFFFAOYSA-N	-1	0	317.276	0.462	20	30		DCEDRM
C[C@H]1CCN(C(=O)CNc2ccc(C#N)cn2)C[C@H]1C(=O)[O-]	ZINC001603417471	973128222	/nfs/dbraw/zinc/12/82/22/973128222.db2.gz	RYOCDOFTCZWZDJ-CMPLNLGQSA-N	-1	0	302.334	0.934	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC001604596405	973686808	/nfs/dbraw/zinc/68/68/08/973686808.db2.gz	MFBRBYUNOQQLPA-UHFFFAOYSA-N	-1	0	312.370	0.107	20	30		DCEDRM
Cn1ncc(C#N)c1N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001605553482	973772322	/nfs/dbraw/zinc/77/23/22/973772322.db2.gz	NVFDZKIVYUXZED-JTQLQIEISA-N	-1	0	317.349	0.194	20	30		DCEDRM
N#C[C@@H]1CCC[C@@H](OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001605583031	973870664	/nfs/dbraw/zinc/87/06/64/973870664.db2.gz	JWPZSEVKABLMSC-UTUOFQBUSA-N	-1	0	308.334	0.935	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)nc1	ZINC001605597158	973896496	/nfs/dbraw/zinc/89/64/96/973896496.db2.gz	CUUBYNLLIQCLKN-UHFFFAOYSA-N	-1	0	313.273	0.630	20	30		DCEDRM
CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001603779373	974233899	/nfs/dbraw/zinc/23/38/99/974233899.db2.gz	BYRFFUFLKRCIND-UDZFHETQSA-N	-1	0	314.313	0.741	20	30		DCEDRM
CCS(=O)(=O)C1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC001603884983	974383216	/nfs/dbraw/zinc/38/32/16/974383216.db2.gz	BWMOUXGMUOAAPV-ZDUSSCGKSA-N	-1	0	316.379	0.417	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N(C)C1(C(=O)[O-])CCCC1	ZINC001592222149	977404996	/nfs/dbraw/zinc/40/49/96/977404996.db2.gz	RQTUJIMOSZVBJE-SNVBAGLBSA-N	-1	0	303.384	0.794	20	30		DCEDRM
C[C@@H](CC#N)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC001592222169	977406263	/nfs/dbraw/zinc/40/62/63/977406263.db2.gz	SFNOGACNCCMUMO-SMDDNHRTSA-N	-1	0	301.346	0.916	20	30		DCEDRM
C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001592648103	978630729	/nfs/dbraw/zinc/63/07/29/978630729.db2.gz	YUDGEANUDNEHSJ-ZYHUDNBSSA-N	-1	0	315.329	0.748	20	30		DCEDRM
C[C@](CO)(NCC(=O)Nc1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC001592748352	979296204	/nfs/dbraw/zinc/29/62/04/979296204.db2.gz	FCTAFUWMJWTVJD-CYBMUJFWSA-N	-1	0	311.725	0.575	20	30		DCEDRM
C[C@@H](CS(=O)(=O)NCc1cc(F)c(C#N)c(F)c1)C(=O)[O-]	ZINC001592815846	979511371	/nfs/dbraw/zinc/51/13/71/979511371.db2.gz	KMWNDKFYIUMDCG-ZETCQYMHSA-N	-1	0	318.301	0.977	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc(C#N)c1	ZINC001592978269	980139602	/nfs/dbraw/zinc/13/96/02/980139602.db2.gz	JBRMRHBFHFWDFP-WQAKAFBOSA-N	-1	0	315.329	0.715	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CN(C(=O)C#CC(C)(C)C)C2)c1[O-]	ZINC001530402139	1014728190	/nfs/dbraw/zinc/72/81/90/1014728190.db2.gz	UUNLIDUJXBRZBA-UHFFFAOYSA-N	-1	0	304.350	0.414	20	30		DCEDRM
CCCN(CCNC(=O)C#CC1CC1)c1ccnc(C(=O)[O-])n1	ZINC001595879809	982882686	/nfs/dbraw/zinc/88/26/86/982882686.db2.gz	QKGRFVJEHMJQTI-UHFFFAOYSA-N	-1	0	316.361	0.921	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001588369174	983311737	/nfs/dbraw/zinc/31/17/37/983311737.db2.gz	DNUZSACHTYPXDY-VIFPVBQESA-N	-1	0	304.302	0.860	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC001588383822	983384482	/nfs/dbraw/zinc/38/44/82/983384482.db2.gz	LWXHFJWAATVQBI-MRVPVSSYSA-N	-1	0	301.345	0.469	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588393472	983398166	/nfs/dbraw/zinc/39/81/66/983398166.db2.gz	GGKWXLZNAZPNLE-NHYWBVRUSA-N	-1	0	323.349	0.430	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H](C)N1CSCCSC1)C(=O)[O-]	ZINC001588398338	983412410	/nfs/dbraw/zinc/41/24/10/983412410.db2.gz	ICPURLMYCYJNDV-ZJUUUORDSA-N	-1	0	302.421	0.665	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)C(=O)[O-]	ZINC001588406675	983425997	/nfs/dbraw/zinc/42/59/97/983425997.db2.gz	SGBWCBJYOBFNHI-GHMZBOCLSA-N	-1	0	322.361	0.836	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccccc1SCC(N)=O)C(=O)[O-]	ZINC001588417009	983437987	/nfs/dbraw/zinc/43/79/87/983437987.db2.gz	URTQEWYVXBICHT-SNVBAGLBSA-N	-1	0	306.343	0.470	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccccc1CCC(=O)OC)C(=O)[O-]	ZINC001588417078	983438152	/nfs/dbraw/zinc/43/81/52/983438152.db2.gz	XBLMACZRTHPMJN-CYBMUJFWSA-N	-1	0	303.314	0.999	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc2c1CCN(C)C2)C(=O)[O-]	ZINC001588428226	983460600	/nfs/dbraw/zinc/46/06/00/983460600.db2.gz	GKVXMWIFOPNRIZ-CYBMUJFWSA-N	-1	0	322.386	0.429	20	30		DCEDRM
C#CCC1(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CCC1	ZINC001588428178	983460652	/nfs/dbraw/zinc/46/06/52/983460652.db2.gz	DZSJVFLNHNQLGI-ZDEQEGDKSA-N	-1	0	318.373	0.664	20	30		DCEDRM
C#CCC1(C(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)CCC1	ZINC001588428279	983460934	/nfs/dbraw/zinc/46/09/34/983460934.db2.gz	IOYSRJQXYKWWJN-RYUDHWBXSA-N	-1	0	318.373	0.666	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1	ZINC001588432008	983466661	/nfs/dbraw/zinc/46/66/61/983466661.db2.gz	UTGCWOZGZOYSIK-WCQYABFASA-N	-1	0	304.346	0.538	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)CC(=O)[O-])C1	ZINC001588432104	983467718	/nfs/dbraw/zinc/46/77/18/983467718.db2.gz	YFJZFZRWXHUQAB-LBPRGKRZSA-N	-1	0	308.378	0.865	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC001588434154	983468856	/nfs/dbraw/zinc/46/88/56/983468856.db2.gz	HFHNVMSAUCUTNM-LLVKDONJSA-N	-1	0	318.329	0.522	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC001588453745	983477408	/nfs/dbraw/zinc/47/74/08/983477408.db2.gz	QXDHZTYKSWXVJE-UHFFFAOYSA-N	-1	0	304.302	0.609	20	30		DCEDRM
C#CCN(C(=O)Cn1cccc(C(=O)[O-])c1=O)C1CSC1	ZINC001588459662	983485286	/nfs/dbraw/zinc/48/52/86/983485286.db2.gz	GLHHYRUHFHUEEL-UHFFFAOYSA-N	-1	0	306.343	0.124	20	30		DCEDRM
C#CCN(C1CSC1)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC001588464813	983494606	/nfs/dbraw/zinc/49/46/06/983494606.db2.gz	MWQZRGXVEPVRQF-UHFFFAOYSA-N	-1	0	301.345	0.717	20	30		DCEDRM
C#CCOCCNC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588491825	983537347	/nfs/dbraw/zinc/53/73/47/983537347.db2.gz	XOCFJJDSJWEUOA-MQYJIDSJSA-N	-1	0	310.350	0.348	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)OC)CC[C@H]2C(=O)[O-])cn1	ZINC001588510322	983555038	/nfs/dbraw/zinc/55/50/38/983555038.db2.gz	AGAGILVCRZEYSG-YPMHNXCESA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])cc1	ZINC001588517651	983566095	/nfs/dbraw/zinc/56/60/95/983566095.db2.gz	DLWDCRQRJIORGE-GXTWGEPZSA-N	-1	0	323.370	0.969	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588524356	983574539	/nfs/dbraw/zinc/57/45/39/983574539.db2.gz	FXBOTYMXLAAOHX-CQSZACIVSA-N	-1	0	324.340	0.974	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001588524635	983575887	/nfs/dbraw/zinc/57/58/87/983575887.db2.gz	OOZCWWNELRZHFF-CQSZACIVSA-N	-1	0	317.341	0.933	20	30		DCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588536393	983593517	/nfs/dbraw/zinc/59/35/17/983593517.db2.gz	AWADFBXAVHSMED-NSHDSACASA-N	-1	0	324.358	0.862	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001588536504	983594263	/nfs/dbraw/zinc/59/42/63/983594263.db2.gz	XXEGHMBSNXMBCR-FIQHERPVSA-N	-1	0	310.350	0.063	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	ZINC001588553688	983628459	/nfs/dbraw/zinc/62/84/59/983628459.db2.gz	PUGAEUNBIUIGKM-SNVBAGLBSA-N	-1	0	319.379	0.669	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	ZINC001588553686	983628544	/nfs/dbraw/zinc/62/85/44/983628544.db2.gz	PUGAEUNBIUIGKM-JTQLQIEISA-N	-1	0	319.379	0.669	20	30		DCEDRM
C=C(C)Cn1c(CCOC)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588597711	983680144	/nfs/dbraw/zinc/68/01/44/983680144.db2.gz	JOHZJTJGCIZQOT-HNNXBMFYSA-N	-1	0	324.381	0.723	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CSC[C@H]1C(=O)N1CCCC1	ZINC001588619103	983715094	/nfs/dbraw/zinc/71/50/94/983715094.db2.gz	KXNCVCMXRFUZLW-NSHDSACASA-N	-1	0	312.391	0.931	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-]	ZINC001596299342	983723194	/nfs/dbraw/zinc/72/31/94/983723194.db2.gz	CSTUTNODALPIPO-QJPTWQEYSA-N	-1	0	315.395	0.652	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCCc2c1cnn2CCO	ZINC001588623585	983728868	/nfs/dbraw/zinc/72/88/68/983728868.db2.gz	TVTYJJOMEWLXKL-GFCCVEGCSA-N	-1	0	307.350	0.790	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O	ZINC001588623592	983728935	/nfs/dbraw/zinc/72/89/35/983728935.db2.gz	TXMPCEFQRBRYMF-NSHDSACASA-N	-1	0	306.322	0.063	20	30		DCEDRM
CCN(CCCNC(=O)[C@H](C)C#N)c1ccnc(C(=O)[O-])n1	ZINC001596327253	983762542	/nfs/dbraw/zinc/76/25/42/983762542.db2.gz	VVFXLUWAMXHESX-SNVBAGLBSA-N	-1	0	305.338	0.667	20	30		DCEDRM
Cc1ccnc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001450208465	1014976878	/nfs/dbraw/zinc/97/68/78/1014976878.db2.gz	LLNMFJGWEXTOGB-UHFFFAOYSA-N	-1	0	313.317	0.231	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001588693342	983893712	/nfs/dbraw/zinc/89/37/12/983893712.db2.gz	WSSJQPUJJROCQT-QMMMGPOBSA-N	-1	0	310.281	0.780	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1CC(C)C	ZINC001588705824	983928260	/nfs/dbraw/zinc/92/82/60/983928260.db2.gz	PRKWCAPTSFGJEK-TUAOUCFPSA-N	-1	0	324.381	0.832	20	30		DCEDRM
C=CC[C@@H](C(=O)OC)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588731171	984005904	/nfs/dbraw/zinc/00/59/04/984005904.db2.gz	DMBBYEZMDHXBPM-JQWIXIFHSA-N	-1	0	308.338	0.731	20	30		DCEDRM
C=CCC(CC=C)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC001588737605	984030291	/nfs/dbraw/zinc/03/02/91/984030291.db2.gz	NGRFRCBZVJOGGS-LBPRGKRZSA-N	-1	0	315.391	0.855	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001588743847	984040029	/nfs/dbraw/zinc/04/00/29/984040029.db2.gz	DJOHJGAYCVVTDA-SECBINFHSA-N	-1	0	303.311	0.739	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F	ZINC001588744426	984042388	/nfs/dbraw/zinc/04/23/88/984042388.db2.gz	KYXRFRXPRYFIDU-QMMMGPOBSA-N	-1	0	321.301	0.878	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1sc(C)cc1C(=O)[O-]	ZINC001588744456	984042635	/nfs/dbraw/zinc/04/26/35/984042635.db2.gz	LRMBZHXFIAHKMN-MRVPVSSYSA-N	-1	0	312.347	0.746	20	30		DCEDRM
C=CC[C@@H](CO)NC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588745105	984048905	/nfs/dbraw/zinc/04/89/05/984048905.db2.gz	VSRAJUBABUKTAF-OOLXCHQQSA-N	-1	0	312.366	0.635	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1scc(C)c1C(=O)[O-]	ZINC001588745443	984052092	/nfs/dbraw/zinc/05/20/92/984052092.db2.gz	ZKGAFJNOZJFGOX-MRVPVSSYSA-N	-1	0	312.347	0.746	20	30		DCEDRM
C=CC[C@@H](OC(=O)c1ccc(S(=O)(=O)NC)cc1)C(=O)[O-]	ZINC001588756774	984099380	/nfs/dbraw/zinc/09/93/80/984099380.db2.gz	OXWYBGALSDDMAD-LLVKDONJSA-N	-1	0	313.331	0.781	20	30		DCEDRM
C=CCCC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	ZINC001588773630	984148319	/nfs/dbraw/zinc/14/83/19/984148319.db2.gz	BWXPNRHCPLTWNQ-IQLKVPPVSA-N	-1	0	315.391	0.879	20	30		DCEDRM
C=CC[C@H]1NC(=O)N([C@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1=O	ZINC001588773995	984150281	/nfs/dbraw/zinc/15/02/81/984150281.db2.gz	OESQYDZFFRQQGN-FMCALUSXSA-N	-1	0	308.334	0.895	20	30		DCEDRM
C=CCCC[C@H](NC(=O)Cn1c(C)cc(C)nc1=O)C(=O)[O-]	ZINC001588794317	984226342	/nfs/dbraw/zinc/22/63/42/984226342.db2.gz	QZXMGWUHBOGKRD-LBPRGKRZSA-N	-1	0	307.350	0.786	20	30		DCEDRM
C=CCCn1cc(CN2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)nn1	ZINC001588820077	984281693	/nfs/dbraw/zinc/28/16/93/984281693.db2.gz	PLKFLINTASALEL-NWDGAFQWSA-N	-1	0	308.338	0.160	20	30		DCEDRM
C=CCN(C)CCN(CC)S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588822875	984292754	/nfs/dbraw/zinc/29/27/54/984292754.db2.gz	VIEAYIZSLADWPN-UHFFFAOYSA-N	-1	0	306.428	0.867	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1	ZINC001588828599	984307386	/nfs/dbraw/zinc/30/73/86/984307386.db2.gz	DBPNREVGKJCAME-FIXISWKDSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=CCNC(=O)CN1CCN([C@H](C)c2ccc(C(=O)[O-])o2)CC1	ZINC001588838884	984343068	/nfs/dbraw/zinc/34/30/68/984343068.db2.gz	LIJFTPSRBYHDES-GFCCVEGCSA-N	-1	0	321.377	0.959	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C[C@@H]1C	ZINC001588849926	984377065	/nfs/dbraw/zinc/37/70/65/984377065.db2.gz	PJBHOOZSQUUFTF-QWRGUYRKSA-N	-1	0	320.349	0.201	20	30		DCEDRM
C=CCOCC(=O)N1CC=C(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588850108	984378164	/nfs/dbraw/zinc/37/81/64/984378164.db2.gz	XSRYQMFXLSAFGD-QWHCGFSZSA-N	-1	0	322.361	0.185	20	30		DCEDRM
C=CCOCC(=O)N[C@@]1(C)CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001588851016	984382690	/nfs/dbraw/zinc/38/26/90/984382690.db2.gz	PQEPPFHKHIYMFB-HNNXBMFYSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCOC[C@H](NC(=O)COc1ccc(C=O)cc1)C(=O)[O-]	ZINC001588854339	984389992	/nfs/dbraw/zinc/38/99/92/984389992.db2.gz	WUWQQIZAOZWPPQ-ZDUSSCGKSA-N	-1	0	307.302	0.650	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(=O)[O-]	ZINC001588855161	984391571	/nfs/dbraw/zinc/39/15/71/984391571.db2.gz	AIGCSPBOQRNXDA-CHWSQXEVSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC001588856043	984396651	/nfs/dbraw/zinc/39/66/51/984396651.db2.gz	AFBZINFLDJLERA-NSHDSACASA-N	-1	0	308.290	0.909	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(F)cc2n[nH]nc21)C(=O)[O-]	ZINC001588859708	984407617	/nfs/dbraw/zinc/40/76/17/984407617.db2.gz	UJNCINFCFMXKAE-SNVBAGLBSA-N	-1	0	308.269	0.483	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C(F)(F)F)n[nH]1)C(=O)[O-]	ZINC001588859751	984408137	/nfs/dbraw/zinc/40/81/37/984408137.db2.gz	VTIBRNUQBPTUKL-SSDOTTSWSA-N	-1	0	307.228	0.814	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(F)(F)F)n[nH]1)C(=O)[O-]	ZINC001588859752	984408206	/nfs/dbraw/zinc/40/82/06/984408206.db2.gz	VTIBRNUQBPTUKL-ZETCQYMHSA-N	-1	0	307.228	0.814	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc(C(=O)NC)c1)C(=O)[O-]	ZINC001588862304	984418509	/nfs/dbraw/zinc/41/85/09/984418509.db2.gz	VMSDCRGYJJCRCZ-LBPRGKRZSA-N	-1	0	306.318	0.432	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc(NC(=O)NC)c1)C(=O)[O-]	ZINC001588862550	984419033	/nfs/dbraw/zinc/41/90/33/984419033.db2.gz	ZQGPGVPLGDESDT-LBPRGKRZSA-N	-1	0	321.333	0.824	20	30		DCEDRM
C=CCOCc1nnc(N2CCO[C@H](C(=O)[O-])C2)n1CC(C)C	ZINC001588868515	984433207	/nfs/dbraw/zinc/43/32/07/984433207.db2.gz	IUDHMBVJWSHVID-LBPRGKRZSA-N	-1	0	324.381	0.927	20	30		DCEDRM
C=CCn1c(-c2ncnn2C)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588891451	984488072	/nfs/dbraw/zinc/48/80/72/984488072.db2.gz	KVHMQLOMSBCOPN-CQSZACIVSA-N	-1	0	317.353	0.561	20	30		DCEDRM
C=CCn1c(-c2ncccn2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588891941	984490814	/nfs/dbraw/zinc/49/08/14/984490814.db2.gz	XSENBPRBFSLQFF-JTQLQIEISA-N	-1	0	316.321	0.211	20	30		DCEDRM
C=CCn1c([C@H](O)CC)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588896151	984499094	/nfs/dbraw/zinc/49/90/94/984499094.db2.gz	QCTSOXWCPPUMPY-YGRLFVJLSA-N	-1	0	310.354	0.587	20	30		DCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588901201	984523385	/nfs/dbraw/zinc/52/33/85/984523385.db2.gz	RILIETLQFOPHHF-GRYCIOLGSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C=CCn1cc(C(=O)NC(C)(C)c2nocc2C(=O)[O-])nn1	ZINC001588910046	984547324	/nfs/dbraw/zinc/54/73/24/984547324.db2.gz	HRFQGQLHLDVSJD-UHFFFAOYSA-N	-1	0	305.294	0.815	20	30		DCEDRM
C=CCn1cc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)nn1	ZINC001588910421	984549734	/nfs/dbraw/zinc/54/97/34/984549734.db2.gz	XOQMVVZKKWVUMI-ZDUSSCGKSA-N	-1	0	314.301	0.957	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001588914246	984557997	/nfs/dbraw/zinc/55/79/97/984557997.db2.gz	RMYGZHJNPXVCOF-KOLCDFICSA-N	-1	0	309.326	0.009	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC001588916760	984563559	/nfs/dbraw/zinc/56/35/59/984563559.db2.gz	CVWMKJOEDQQAIB-USZNOCQGSA-N	-1	0	311.334	0.442	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001588925591	984587703	/nfs/dbraw/zinc/58/77/03/984587703.db2.gz	SQTJZTQHTVRSPE-ZDUSSCGKSA-N	-1	0	311.359	0.579	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588925645	984588221	/nfs/dbraw/zinc/58/82/21/984588221.db2.gz	UIYXNBXOCJHZAE-GRYCIOLGSA-N	-1	0	303.380	0.324	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588925647	984588232	/nfs/dbraw/zinc/58/82/32/984588232.db2.gz	UIYXNBXOCJHZAE-IJLUTSLNSA-N	-1	0	303.380	0.324	20	30		DCEDRM
CC#CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001588931227	984601946	/nfs/dbraw/zinc/60/19/46/984601946.db2.gz	OSBYDXPNFDLNOK-UHFFFAOYSA-N	-1	0	312.303	0.937	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@]1(C)CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001589330093	986170330	/nfs/dbraw/zinc/17/03/30/986170330.db2.gz	YEPWMBFSMYQGMR-LKFCYVNXSA-N	-1	0	303.322	0.419	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001589330484	986173553	/nfs/dbraw/zinc/17/35/53/986173553.db2.gz	GWNRJJPAIDORAE-GARJFASQSA-N	-1	0	303.384	0.556	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@H]2CCCSC2)c(=O)[n-]c1=O	ZINC001450555666	1015205595	/nfs/dbraw/zinc/20/55/95/1015205595.db2.gz	JQRKCPALDICTNF-SNVBAGLBSA-N	-1	0	322.390	0.470	20	30		DCEDRM
C[C@@H](C(=O)NCC(=O)[O-])N1CCc2c(C#N)c(N)sc2C1	ZINC001589401953	986575429	/nfs/dbraw/zinc/57/54/29/986575429.db2.gz	ZGJFQYYHDDVYPC-ZETCQYMHSA-N	-1	0	308.363	0.149	20	30		DCEDRM
CC[C@H](C#N)C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC001594722941	987218035	/nfs/dbraw/zinc/21/80/35/987218035.db2.gz	XUSDITGZXBPOHO-SNVBAGLBSA-N	-1	0	303.322	0.373	20	30		DCEDRM
CCS(=O)(=O)c1ccccc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001597243673	987218894	/nfs/dbraw/zinc/21/88/94/987218894.db2.gz	LZZXTXLZSPQTFX-UHFFFAOYSA-N	-1	0	324.358	0.921	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001589558802	987311172	/nfs/dbraw/zinc/31/11/72/987311172.db2.gz	UPGOUCDLJCGOPI-SECBINFHSA-N	-1	0	320.367	0.062	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])[C@@H](C#N)C1	ZINC001589909923	988640963	/nfs/dbraw/zinc/64/09/63/988640963.db2.gz	PZEGSQZCYXDJQJ-MMWGEVLESA-N	-1	0	323.349	0.582	20	30		DCEDRM
C[C@H]1CCCC[C@]1(C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001450897258	1015434161	/nfs/dbraw/zinc/43/41/61/1015434161.db2.gz	FYBZWHDPFMVDOJ-BONVTDFDSA-N	-1	0	304.350	0.906	20	30		DCEDRM
CC(C)C#CC(=O)N1C[C@H](Nc2ccnc(C(=O)[O-])n2)C[C@H]1C	ZINC001590927126	990931059	/nfs/dbraw/zinc/93/10/59/990931059.db2.gz	SEGQQERUNAKIFD-VXGBXAGGSA-N	-1	0	316.361	0.657	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001590927934	990937913	/nfs/dbraw/zinc/93/79/13/990937913.db2.gz	OOZPIBABSPREPX-AAVRWANBSA-N	-1	0	320.389	0.910	20	30		DCEDRM
CC(C)[C@@H](NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C(=O)[O-]	ZINC001591001634	991258795	/nfs/dbraw/zinc/25/87/95/991258795.db2.gz	UJNNEZMKRHRNKI-KGLIPLIRSA-N	-1	0	301.346	0.970	20	30		DCEDRM
COc1nccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001599735984	991776279	/nfs/dbraw/zinc/77/62/79/991776279.db2.gz	QRFUZWDZCXJVFP-UHFFFAOYSA-N	-1	0	305.294	0.707	20	30		DCEDRM
CN(CCC#N)C[C@@H](O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC001598469138	991996819	/nfs/dbraw/zinc/99/68/19/991996819.db2.gz	SXPGYNBRDUHXOU-SNVBAGLBSA-N	-1	0	323.305	0.878	20	30		DCEDRM
CN(CCCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001598481601	992160530	/nfs/dbraw/zinc/16/05/30/992160530.db2.gz	VLEAZUGTTBOGEG-NEPJUHHUSA-N	-1	0	318.333	0.185	20	30		DCEDRM
CN(CCc1cccc(C#N)c1)CN1C[C@@H](C(=O)[O-])CC1=O	ZINC001598500069	992423435	/nfs/dbraw/zinc/42/34/35/992423435.db2.gz	CKOOMRGHWNTWSP-AWEZNQCLSA-N	-1	0	301.346	0.923	20	30		DCEDRM
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NCCCC(=O)[O-]	ZINC001598506784	992514091	/nfs/dbraw/zinc/51/40/91/992514091.db2.gz	GJLFXDHMTDTLPR-UHFFFAOYSA-N	-1	0	309.347	0.559	20	30		DCEDRM
CN1C[C@H](C(=O)[O-])N(C(=O)CC#Cc2ccccc2)CC1=O	ZINC001598561951	993097205	/nfs/dbraw/zinc/09/72/05/993097205.db2.gz	HOCXVLDBTJNRKR-CYBMUJFWSA-N	-1	0	300.314	0.182	20	30		DCEDRM
C#CCN1CCC[C@@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C1	ZINC001464498293	1015914097	/nfs/dbraw/zinc/91/40/97/1015914097.db2.gz	RAKZWQNMZOFZAM-LLVKDONJSA-N	-1	0	324.362	0.366	20	30		DCEDRM
C=CCCCC(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001510678602	1015921955	/nfs/dbraw/zinc/92/19/55/1015921955.db2.gz	JMRUMGPQYMVIKH-VIFPVBQESA-N	-1	0	323.353	0.216	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CC[C@](O)(CC#N)C1	ZINC001598711556	995355699	/nfs/dbraw/zinc/35/56/99/995355699.db2.gz	HPHWLAAMZZXMSH-CZUORRHYSA-N	-1	0	318.329	0.949	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](NC(=O)[C@H](C)C#N)C2CC2)c1[O-]	ZINC001396985781	995724871	/nfs/dbraw/zinc/72/48/71/995724871.db2.gz	XZJWNGGQHQSDQI-GMSGAONNSA-N	-1	0	305.338	0.208	20	30		DCEDRM
C=C(Cl)CNCc1cc(=O)[nH]c(CNC(=O)c2cnon2)n1	ZINC001397164310	995835356	/nfs/dbraw/zinc/83/53/56/995835356.db2.gz	AJJPIINQIJFZSS-UHFFFAOYSA-N	-1	0	324.728	0.337	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccnc(C#N)c1	ZINC001598776302	995933369	/nfs/dbraw/zinc/93/33/69/995933369.db2.gz	JSLCMFKRYVGLFM-YPMHNXCESA-N	-1	0	303.318	0.791	20	30		DCEDRM
C[C@@H](c1nc(N)nc(Cl)n1)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001593733980	996321343	/nfs/dbraw/zinc/32/13/43/996321343.db2.gz	OGUOPNNQESMKNJ-ZETCQYMHSA-N	-1	0	310.745	0.859	20	30		DCEDRM
C[C@]1(C#N)CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001593742910	996363780	/nfs/dbraw/zinc/36/37/80/996363780.db2.gz	JRHPUQVIEZHYCT-CQSZACIVSA-N	-1	0	302.290	0.480	20	30		DCEDRM
C[C@]1(C(=O)N(CC#N)CCC(=O)[O-])Oc2ccccc2NC1=O	ZINC001593743035	996365085	/nfs/dbraw/zinc/36/50/85/996365085.db2.gz	HWRDNEBMGRYXBR-HNNXBMFYSA-N	-1	0	317.301	0.603	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1	ZINC001593743621	996369655	/nfs/dbraw/zinc/36/96/55/996369655.db2.gz	WQLDUVAQJYLSOI-NSHDSACASA-N	-1	0	302.352	0.186	20	30		DCEDRM
C[C@]1(C#N)CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CCO1	ZINC001593743712	996370657	/nfs/dbraw/zinc/37/06/57/996370657.db2.gz	ZKMMCJZBARQMRD-AWEZNQCLSA-N	-1	0	324.358	0.829	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@@H](C)Oc1ccccc1C#N	ZINC001598888815	996952636	/nfs/dbraw/zinc/95/26/36/996952636.db2.gz	ICGKOPLJYMSSGH-BXKDBHETSA-N	-1	0	321.285	0.885	20	30		DCEDRM
Cc1cccc(F)c1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001466470222	1016079864	/nfs/dbraw/zinc/07/98/64/1016079864.db2.gz	PHQAZKXKIUTACH-UHFFFAOYSA-N	-1	0	302.265	0.907	20	30		DCEDRM
C[C@H](C#N)CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001466533426	1016087651	/nfs/dbraw/zinc/08/76/51/1016087651.db2.gz	KOALYPNAEKETED-SNVBAGLBSA-N	-1	0	315.333	0.361	20	30		DCEDRM
COC1(CS(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCC1	ZINC001599092373	997216683	/nfs/dbraw/zinc/21/66/83/997216683.db2.gz	OIHFHGNVANZTMR-UHFFFAOYSA-N	-1	0	316.379	0.576	20	30		DCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CN(CCC#N)CC1CC1	ZINC001598925360	997638687	/nfs/dbraw/zinc/63/86/87/997638687.db2.gz	RRZOSQUZEIHHSW-UHFFFAOYSA-N	-1	0	306.322	0.951	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC001599233520	997904728	/nfs/dbraw/zinc/90/47/28/997904728.db2.gz	PKJJDZXXVFIIFY-UHFFFAOYSA-N	-1	0	304.349	0.607	20	30		DCEDRM
COCC#CC(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1	ZINC001599139457	998101324	/nfs/dbraw/zinc/10/13/24/998101324.db2.gz	XDFCYMKIXOAORK-UHFFFAOYSA-N	-1	0	308.359	0.745	20	30		DCEDRM
COCCOCc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC001599252403	998255015	/nfs/dbraw/zinc/25/50/15/998255015.db2.gz	CWEAAOORXZPHPJ-UHFFFAOYSA-N	-1	0	306.318	0.900	20	30		DCEDRM
CNC(=O)NC1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001469003412	1016299369	/nfs/dbraw/zinc/29/93/69/1016299369.db2.gz	PPNHHBNWOQSFML-UHFFFAOYSA-N	-1	0	317.349	0.501	20	30		DCEDRM
C[C@@H]1CCCCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001594370258	999394880	/nfs/dbraw/zinc/39/48/80/999394880.db2.gz	JQHHAZYQJCVMDE-GFCCVEGCSA-N	-1	0	321.377	0.852	20	30		DCEDRM
CCO[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CCOCC1	ZINC001469568322	1016345555	/nfs/dbraw/zinc/34/55/55/1016345555.db2.gz	ZXNAWAXXAQOKEV-GFCCVEGCSA-N	-1	0	303.322	0.923	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC1(CCO)CCOCC1	ZINC001469957510	1016374199	/nfs/dbraw/zinc/37/41/99/1016374199.db2.gz	WRLMZZFQVCRZTN-UHFFFAOYSA-N	-1	0	305.334	0.629	20	30		DCEDRM
Cc1nc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)oc1C	ZINC001470257032	1016404930	/nfs/dbraw/zinc/40/49/30/1016404930.db2.gz	PPHKWYZUOMVPST-UHFFFAOYSA-N	-1	0	303.278	0.454	20	30		DCEDRM
COC(=O)N1CC(C)(NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001419671234	1001211894	/nfs/dbraw/zinc/21/18/94/1001211894.db2.gz	IRIWTDXNQGHDTD-UHFFFAOYSA-N	-1	0	304.306	0.538	20	30		DCEDRM
CN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@H]1CCC[C@@H]1C#N	ZINC001471050570	1016514971	/nfs/dbraw/zinc/51/49/71/1016514971.db2.gz	MOIJTTIBFQJJDK-SKDRFNHKSA-N	-1	0	323.374	0.804	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@H]2COC3(CCC3)C2)c(=O)[n-]c1=O	ZINC001471546623	1016600730	/nfs/dbraw/zinc/60/07/30/1016600730.db2.gz	OPGKYPKXKDXKPW-LLVKDONJSA-N	-1	0	318.333	0.038	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3cc(Cl)no3)C2)c(=O)[n-]c1=O	ZINC001472371595	1016789369	/nfs/dbraw/zinc/78/93/69/1016789369.db2.gz	UMUCCLVYJQYVDC-UHFFFAOYSA-N	-1	0	321.680	0.159	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)[C@H](CC#N)c2ccccc2)n[n-]1	ZINC001472498272	1016814906	/nfs/dbraw/zinc/81/49/06/1016814906.db2.gz	LJDIRWPBFCNVFG-SNVBAGLBSA-N	-1	0	319.346	0.844	20	30		DCEDRM
CC(C)OC(=O)C1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001472880649	1016866891	/nfs/dbraw/zinc/86/68/91/1016866891.db2.gz	AOIZIMCASSYMQK-UHFFFAOYSA-N	-1	0	320.349	0.113	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCc2cccc(F)c2)c(=O)[n-]c1=O	ZINC001417607624	1005850537	/nfs/dbraw/zinc/85/05/37/1005850537.db2.gz	JCROOQBATYQWEP-UHFFFAOYSA-N	-1	0	316.292	0.666	20	30		DCEDRM
N#Cc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)ccc1F	ZINC001417631013	1005855567	/nfs/dbraw/zinc/85/55/67/1005855567.db2.gz	PZFXCOADEIWSDL-UHFFFAOYSA-N	-1	0	313.248	0.470	20	30		DCEDRM
CC(C)(C)C[C@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417686352	1005867929	/nfs/dbraw/zinc/86/79/29/1005867929.db2.gz	GERXCWFWURKCND-LLVKDONJSA-N	-1	0	322.365	0.124	20	30		DCEDRM
CCc1ncsc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417686062	1005867968	/nfs/dbraw/zinc/86/79/68/1005867968.db2.gz	UGLYHKDKYUSEJM-UHFFFAOYSA-N	-1	0	305.319	0.478	20	30		DCEDRM
N#Cc1cn(CC(=O)NCC2(C3CC3)CCC2)c(=O)[n-]c1=O	ZINC001417688744	1005868851	/nfs/dbraw/zinc/86/88/51/1005868851.db2.gz	IBBDBFZJBPVLGH-UHFFFAOYSA-N	-1	0	302.334	0.517	20	30		DCEDRM
CC1(C)CCC[C@@H]1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417877737	1005912801	/nfs/dbraw/zinc/91/28/01/1005912801.db2.gz	MTWOXNISHDZNSO-LLVKDONJSA-N	-1	0	304.350	0.763	20	30		DCEDRM
N#Cc1cccc2c1CN(C(=O)Cn1[n-]cc3c(=O)ncnc1-3)C2	ZINC001437272184	1006791910	/nfs/dbraw/zinc/79/19/10/1006791910.db2.gz	WYSJYXNHZBMRKR-UHFFFAOYSA-N	-1	0	320.312	0.485	20	30		DCEDRM
C[C@@H]1SCC[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001452852855	1007116436	/nfs/dbraw/zinc/11/64/36/1007116436.db2.gz	IPJKJQLKADJLIU-WPRPVWTQSA-N	-1	0	308.363	0.221	20	30		DCEDRM
N#Cc1cccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001453843983	1008754463	/nfs/dbraw/zinc/75/44/63/1008754463.db2.gz	QMNSFXYWHQXDJD-UHFFFAOYSA-N	-1	0	309.285	0.122	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccncc2Cl)c(=O)[n-]c1=O	ZINC001453847604	1008758004	/nfs/dbraw/zinc/75/80/04/1008758004.db2.gz	ZVEAFOVOBOBIAB-UHFFFAOYSA-N	-1	0	319.708	0.299	20	30		DCEDRM
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001453845780	1008758041	/nfs/dbraw/zinc/75/80/41/1008758041.db2.gz	UIJPPQIHDWAQOC-SASUGWTJSA-N	-1	0	302.334	0.229	20	30		DCEDRM
CSC1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001433954791	1009396957	/nfs/dbraw/zinc/39/69/57/1009396957.db2.gz	WTBYCAOERKECJJ-UHFFFAOYSA-N	-1	0	308.363	0.222	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CCC(F)(F)F)c(=O)[n-]c1=O	ZINC001434207156	1009662533	/nfs/dbraw/zinc/66/25/33/1009662533.db2.gz	KASQOSLXMFAOHW-UHFFFAOYSA-N	-1	0	304.228	0.279	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CCC[C@@H]1C1OCCO1)cc2=O	ZINC001422331755	1009891315	/nfs/dbraw/zinc/89/13/15/1009891315.db2.gz	OXGMJCRFUXDPJR-GFCCVEGCSA-N	-1	0	315.333	0.644	20	30		DCEDRM
C#CCOc1ccc(C(=O)N[C@H](COC)c2nnn[n-]2)cc1	ZINC001455729931	1009934777	/nfs/dbraw/zinc/93/47/77/1009934777.db2.gz	OVMXHVHUZXCAOB-GFCCVEGCSA-N	-1	0	301.306	0.329	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@]2(O)CCc3ccccc32)c(C#N)c1=O	ZINC001434443056	1009960937	/nfs/dbraw/zinc/96/09/37/1009960937.db2.gz	WESJJMIERGPCGO-MRXNPFEDSA-N	-1	0	312.329	0.191	20	30		DCEDRM
C=CCn1cc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)nn1	ZINC001475414376	1017103806	/nfs/dbraw/zinc/10/38/06/1017103806.db2.gz	QHNGDUDLTCJSTG-UHFFFAOYSA-N	-1	0	319.412	0.060	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-]	ZINC001556795647	1012231310	/nfs/dbraw/zinc/23/13/10/1012231310.db2.gz	FKIPAIHHSGVFMZ-NSHDSACASA-N	-1	0	303.293	0.749	20	30		DCEDRM
COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001459796657	1012830021	/nfs/dbraw/zinc/83/00/21/1012830021.db2.gz	LAGPNPGVZWTUDT-GFCCVEGCSA-N	-1	0	315.333	0.834	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1	ZINC001479463736	1017562347	/nfs/dbraw/zinc/56/23/47/1017562347.db2.gz	RASPWALEOBNCMT-ZDUSSCGKSA-N	-1	0	318.333	0.319	20	30		DCEDRM
C#CCCCC(=O)N(CC)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001494893495	1018138488	/nfs/dbraw/zinc/13/84/88/1018138488.db2.gz	YPVSEVRZMDOZMQ-GFCCVEGCSA-N	-1	0	305.382	0.737	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H](CO)[C@H]2CCOC2)o1	ZINC000287194791	219372651	/nfs/dbraw/zinc/37/26/51/219372651.db2.gz	DQVBENWQRRNAQM-UWVGGRQHSA-N	-1	0	300.336	0.075	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000263555142	238187527	/nfs/dbraw/zinc/18/75/27/238187527.db2.gz	NTSUDTCGRCFVML-PWSUYJOCSA-N	-1	0	311.363	0.738	20	30		DCEDRM
N#CC1(NC(=O)CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CCC1	ZINC000377580253	239240374	/nfs/dbraw/zinc/24/03/74/239240374.db2.gz	CMPMJFGJLVCQLF-JTQLQIEISA-N	-1	0	304.354	0.252	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1	ZINC000566859204	291326502	/nfs/dbraw/zinc/32/65/02/291326502.db2.gz	NRPFFGMQVDDAEP-CHWSQXEVSA-N	-1	0	324.358	0.467	20	30		DCEDRM
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC(=O)[O-]	ZINC000420603019	240048695	/nfs/dbraw/zinc/04/86/95/240048695.db2.gz	SZIZQWWMMNBLCH-UHFFFAOYSA-N	-1	0	317.345	0.888	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)oc1C	ZINC000275412430	212317830	/nfs/dbraw/zinc/31/78/30/212317830.db2.gz	ZWGCINSROAHXQL-UHFFFAOYSA-N	-1	0	317.319	0.636	20	30		DCEDRM
Cc1nn(C)c(Cl)c1/C=C\C(=O)[N-]S(=O)(=O)CCC#N	ZINC000493811338	241162189	/nfs/dbraw/zinc/16/21/89/241162189.db2.gz	LJUNEXVVPMVXTJ-PLNGDYQASA-N	-1	0	316.770	0.755	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1COCCN1C(=O)OCc1ccccc1	ZINC000496826945	241260804	/nfs/dbraw/zinc/26/08/04/241260804.db2.gz	IMXFFVHOZSVCCP-CQSZACIVSA-N	-1	0	318.329	0.705	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnn([C@@H]2CCOC2)c1	ZINC000275195088	212187210	/nfs/dbraw/zinc/18/72/10/212187210.db2.gz	AKMNQJOGFUFXKU-SNVBAGLBSA-N	-1	0	315.351	0.106	20	30		DCEDRM
COCCS(=O)(=O)N(CC(=O)[O-])Cc1cccc(C#N)c1	ZINC000275159222	212160406	/nfs/dbraw/zinc/16/04/06/212160406.db2.gz	SUSQEHXKNYVUPM-UHFFFAOYSA-N	-1	0	312.347	0.421	20	30		DCEDRM
C#CCN(CC)C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC000264801323	204166054	/nfs/dbraw/zinc/16/60/54/204166054.db2.gz	VJDXMUYFHMOLRU-UHFFFAOYSA-N	-1	0	311.345	0.972	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N2CSC[C@H]2C(=O)[O-])c1	ZINC000037463162	182896686	/nfs/dbraw/zinc/89/66/86/182896686.db2.gz	JOGQEYJTIZCFRU-NSHDSACASA-N	-1	0	312.372	0.848	20	30		DCEDRM
O=C([O-])CCCNC(=S)N/N=C1\C(=O)Nc2ccccc21	ZINC000040380682	183058612	/nfs/dbraw/zinc/05/86/12/183058612.db2.gz	LQIQBDLALDOZKS-UHFFFAOYSA-N	-1	0	306.347	0.672	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000273444655	210779455	/nfs/dbraw/zinc/77/94/55/210779455.db2.gz	APTLJSRYRYYKIL-UHFFFAOYSA-N	-1	0	314.319	0.631	20	30		DCEDRM
COC[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC	ZINC000341564861	253395558	/nfs/dbraw/zinc/39/55/58/253395558.db2.gz	HMAKIYTYRSOSBL-LBPRGKRZSA-N	-1	0	312.347	0.166	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCCCNC(=O)c1cccc(O)c1	ZINC000289713872	335065959	/nfs/dbraw/zinc/06/59/59/335065959.db2.gz	HFJYFWPYMOSQQA-INIZCTEOSA-N	-1	0	306.362	0.955	20	30		DCEDRM
Cn1nc2c(c1[N-]S(=O)(=O)c1ccc(C#N)nc1)CCC2	ZINC000270505610	395777634	/nfs/dbraw/zinc/77/76/34/395777634.db2.gz	ZNSSAEKWKWRDKI-UHFFFAOYSA-N	-1	0	303.347	0.976	20	30		DCEDRM
COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C	ZINC000048535350	395816510	/nfs/dbraw/zinc/81/65/10/395816510.db2.gz	ALPIVJCMXUGWMO-UHFFFAOYSA-N	-1	0	318.355	0.380	20	30		DCEDRM
CN1CC[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1=O	ZINC000125610028	395905018	/nfs/dbraw/zinc/90/50/18/395905018.db2.gz	UZHKSDBGMQMJFP-JTQLQIEISA-N	-1	0	315.301	0.345	20	30		DCEDRM
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1nc(=O)[nH][n-]1	ZINC000129149380	395918906	/nfs/dbraw/zinc/91/89/06/395918906.db2.gz	VCCXCNYCYZZCGN-UHFFFAOYSA-N	-1	0	310.235	0.898	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C	ZINC000594676240	396496760	/nfs/dbraw/zinc/49/67/60/396496760.db2.gz	ZTSIMFNSVLGKRA-SNVBAGLBSA-N	-1	0	305.400	0.898	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1	ZINC000594683904	396496897	/nfs/dbraw/zinc/49/68/97/396496897.db2.gz	KSOXZONPRIGTNA-BXUZGUMPSA-N	-1	0	322.342	0.280	20	30		DCEDRM
COC[C@@](C)(NC(=O)NCCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594690125	396497483	/nfs/dbraw/zinc/49/74/83/396497483.db2.gz	FIFMVJBOJDEONF-OAHLLOKOSA-N	-1	0	305.334	0.890	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCC[C@@H]1CCCCO1)C(=O)[O-]	ZINC000514837011	396497731	/nfs/dbraw/zinc/49/77/31/396497731.db2.gz	XCIMTEWMMIAAEH-RYUDHWBXSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1CCC(=O)[O-]	ZINC000594570502	396487221	/nfs/dbraw/zinc/48/72/21/396487221.db2.gz	FZUSGMOLCPYOBH-GHMZBOCLSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cnn(C(C)(C)C(=O)OC)c1	ZINC000596023341	396709170	/nfs/dbraw/zinc/70/91/70/396709170.db2.gz	WZBOXCVFEYVVCC-SNVBAGLBSA-N	-1	0	314.367	0.835	20	30		DCEDRM
CS(=O)(=O)[N-]c1nnc(NC(=O)c2cccc(C#N)n2)s1	ZINC000589324569	396713098	/nfs/dbraw/zinc/71/30/98/396713098.db2.gz	XRBZMQOPNAVTOL-UHFFFAOYSA-N	-1	0	324.347	0.429	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1F	ZINC000589975859	396733260	/nfs/dbraw/zinc/73/32/60/396733260.db2.gz	JDGVSIOQZOLNOI-LLVKDONJSA-N	-1	0	314.294	0.171	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C2(C(N)=O)CCC2)c(F)c1	ZINC000610970725	396796311	/nfs/dbraw/zinc/79/63/11/396796311.db2.gz	ITBKSGMWAYNVCB-UHFFFAOYSA-N	-1	0	315.301	0.523	20	30		DCEDRM
CC1(C)CN(S(=O)(=O)CC2(C#N)CC2)[C@@H](C(=O)[O-])CO1	ZINC000590899020	396853361	/nfs/dbraw/zinc/85/33/61/396853361.db2.gz	FEBOYICNYORTJH-SECBINFHSA-N	-1	0	302.352	0.184	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000591350219	396905477	/nfs/dbraw/zinc/90/54/77/396905477.db2.gz	GHMSICPDIQCBSW-RYUDHWBXSA-N	-1	0	317.411	0.899	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1cccc(C(=O)[O-])c1	ZINC000591350074	396905641	/nfs/dbraw/zinc/90/56/41/396905641.db2.gz	HNTDQYGECALCJU-JTQLQIEISA-N	-1	0	311.363	0.953	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1	ZINC000591563631	396928927	/nfs/dbraw/zinc/92/89/27/396928927.db2.gz	ZSGPXFJUIZPYKA-AWEZNQCLSA-N	-1	0	305.265	0.787	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1	ZINC000591563622	396929319	/nfs/dbraw/zinc/92/93/19/396929319.db2.gz	YQFYVUWSADVSTJ-HNNXBMFYSA-N	-1	0	319.292	0.716	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1nn(C)c2ccccc21)C(=O)[O-]	ZINC000630185657	396955874	/nfs/dbraw/zinc/95/58/74/396955874.db2.gz	FJTSJEFABRTLTG-LLVKDONJSA-N	-1	0	303.318	0.959	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)[O-]	ZINC000630324594	396984871	/nfs/dbraw/zinc/98/48/71/396984871.db2.gz	FZJUXQIMWADZHT-QMMMGPOBSA-N	-1	0	301.320	0.832	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(CC#N)CC1	ZINC000591667348	396970516	/nfs/dbraw/zinc/97/05/16/396970516.db2.gz	MLEHUFGJPADQSY-CYBMUJFWSA-N	-1	0	316.379	0.576	20	30		DCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)Cc1cccc(C#N)c1	ZINC000572787251	397095614	/nfs/dbraw/zinc/09/56/14/397095614.db2.gz	YGJJAAOLHWGRQC-GFCCVEGCSA-N	-1	0	312.347	0.419	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])c1ccc(C#N)cc1	ZINC000592440296	397179513	/nfs/dbraw/zinc/17/95/13/397179513.db2.gz	LXGNSUFMTGPBAY-SNVBAGLBSA-N	-1	0	303.318	0.716	20	30		DCEDRM
CCOC(=O)c1c([N-]S(C)(=O)=O)c(C#N)cn1CCOC	ZINC000572972637	397117771	/nfs/dbraw/zinc/11/77/71/397117771.db2.gz	QIEPFELWWVSWRB-UHFFFAOYSA-N	-1	0	315.351	0.554	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCc3sccc3C2)c(=O)[n-]c1=O	ZINC000602046080	397290171	/nfs/dbraw/zinc/29/01/71/397290171.db2.gz	IAWLXQBXJVHOOJ-UHFFFAOYSA-N	-1	0	316.342	0.467	20	30		DCEDRM
CCN(CCC(F)(F)F)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602085083	397296061	/nfs/dbraw/zinc/29/60/61/397296061.db2.gz	GHJRYBHHFFTDIT-UHFFFAOYSA-N	-1	0	318.255	0.621	20	30		DCEDRM
N#Cc1cn(CCC(=O)N(CC(F)F)C2CC2)c(=O)[n-]c1=O	ZINC000602097890	397299551	/nfs/dbraw/zinc/29/95/51/397299551.db2.gz	PWFRSMUDTKAAPW-UHFFFAOYSA-N	-1	0	312.276	0.467	20	30		DCEDRM
CSCC[C@@H](C)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602102716	397301105	/nfs/dbraw/zinc/30/11/05/397301105.db2.gz	LPCMBNJEIUUVFF-SNVBAGLBSA-N	-1	0	324.406	0.811	20	30		DCEDRM
CCC[C@@H]1SCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602105767	397302203	/nfs/dbraw/zinc/30/22/03/397302203.db2.gz	WXJCSKKZSOHVLX-LBPRGKRZSA-N	-1	0	322.390	0.912	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC(c3ccccc3)C2)c(=O)[n-]c1=O	ZINC000602200305	397342176	/nfs/dbraw/zinc/34/21/76/397342176.db2.gz	ZZEPYRAHWUYQRQ-UHFFFAOYSA-N	-1	0	310.313	0.447	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCCSC[C@@H](C)C(=O)[O-]	ZINC000593274671	397347200	/nfs/dbraw/zinc/34/72/00/397347200.db2.gz	USXOPNVWMMDYKE-NXEZZACHSA-N	-1	0	323.440	0.509	20	30		DCEDRM
N#Cc1ccc(N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cn1	ZINC000593329616	397352830	/nfs/dbraw/zinc/35/28/30/397352830.db2.gz	ZDMZRPQHRVLFAC-LLVKDONJSA-N	-1	0	314.345	0.855	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)nn1	ZINC000425239568	397404885	/nfs/dbraw/zinc/40/48/85/397404885.db2.gz	KVDMTLLEBYAMQI-ZYHUDNBSSA-N	-1	0	308.338	0.464	20	30		DCEDRM
O=C(CNC(=O)OCc1ccccc1)N[C@H]1CCCN(O)C1=O	ZINC000495627631	397549158	/nfs/dbraw/zinc/54/91/58/397549158.db2.gz	XGIWSYMLHAIQAU-LBPRGKRZSA-N	-1	0	321.333	0.409	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2ccncn2)CCC1	ZINC000493022625	397525625	/nfs/dbraw/zinc/52/56/25/397525625.db2.gz	VZBVJLCHTUPZGI-NSCUHMNNSA-N	-1	0	306.347	0.630	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCNC(=O)C2(C)C)cc1C#N	ZINC000408136625	160045015	/nfs/dbraw/zinc/04/50/15/160045015.db2.gz	GGMNTVNCSWWNCC-UHFFFAOYSA-N	-1	0	320.374	0.731	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCO1	ZINC000408483348	160117940	/nfs/dbraw/zinc/11/79/40/160117940.db2.gz	BVSSTNAKPDSODU-KOLCDFICSA-N	-1	0	309.347	0.573	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCO1	ZINC000408483351	160117980	/nfs/dbraw/zinc/11/79/80/160117980.db2.gz	BVSSTNAKPDSODU-ONGXEEELSA-N	-1	0	309.347	0.573	20	30		DCEDRM
CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc(C#N)cn2)s1	ZINC000342468179	415184014	/nfs/dbraw/zinc/18/40/14/415184014.db2.gz	YNWXAOXWQGCVIA-UHFFFAOYSA-N	-1	0	323.359	1.169	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)[N-]OCCCOC	ZINC000287959307	415673266	/nfs/dbraw/zinc/67/32/66/415673266.db2.gz	HINOTYYGVZTAIU-UHFFFAOYSA-N	-1	0	324.308	0.861	20	30		DCEDRM
C#C[C@@H](C)[N-]S(=O)(=O)[C@@H](CC(=O)OCC)C(F)(F)F	ZINC000289121923	415700620	/nfs/dbraw/zinc/70/06/20/415700620.db2.gz	KQCCMDWOGUOSPN-SFYZADRCSA-N	-1	0	301.286	0.812	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCC1	ZINC000290928900	415826868	/nfs/dbraw/zinc/82/68/68/415826868.db2.gz	ISFHBVNFERWFBQ-UHFFFAOYSA-N	-1	0	305.352	0.232	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCCc2cccc(C(N)=O)c2)o1	ZINC000344407212	415907483	/nfs/dbraw/zinc/90/74/83/415907483.db2.gz	JIRRBPIHBNYJAB-UHFFFAOYSA-N	-1	0	319.342	0.771	20	30		DCEDRM
N#CCCn1ccc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)n1	ZINC000344673516	415969016	/nfs/dbraw/zinc/96/90/16/415969016.db2.gz	BEGUDSPTGOLTGM-UHFFFAOYSA-N	-1	0	324.300	1.392	20	30		DCEDRM
CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000337234846	415930582	/nfs/dbraw/zinc/93/05/82/415930582.db2.gz	AEDAZHJNGAVTHB-UHFFFAOYSA-N	-1	0	319.346	0.750	20	30		DCEDRM
CN(C)c1cc([N-]S(=O)(=O)c2cncc(C#N)c2)ncn1	ZINC000357374962	416069943	/nfs/dbraw/zinc/06/99/43/416069943.db2.gz	UFHHEPXKWLPKLB-UHFFFAOYSA-N	-1	0	304.335	0.610	20	30		DCEDRM
C[C@H](CC#N)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000339270546	416155247	/nfs/dbraw/zinc/15/52/47/416155247.db2.gz	CQQQZLMWFANPTN-MRVPVSSYSA-N	-1	0	317.317	0.661	20	30		DCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2cc(C)n(CCC#N)n2)c1[O-]	ZINC000348660339	416242304	/nfs/dbraw/zinc/24/23/04/416242304.db2.gz	PSZOLMUDHNFSJM-SNVBAGLBSA-N	-1	0	305.294	0.093	20	30		DCEDRM
CCn1cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c([N+](=O)[O-])n1	ZINC000358533469	416251711	/nfs/dbraw/zinc/25/17/11/416251711.db2.gz	XYXLKOJFKNXNFU-UHFFFAOYSA-N	-1	0	311.283	0.207	20	30		DCEDRM
COCCO[C@H]1CCN(C([O-])=Nc2c(C)ccn(C)c2=O)C1	ZINC000331291344	416302453	/nfs/dbraw/zinc/30/24/53/416302453.db2.gz	KQHAMZUURWTPFB-LBPRGKRZSA-N	-1	0	309.366	0.977	20	30		DCEDRM
N#Cc1ccc(OCC(=O)NCCCc2n[nH]c(=O)[n-]2)cc1	ZINC000359528653	416349529	/nfs/dbraw/zinc/34/95/29/416349529.db2.gz	ZITQEKBIRSRMCQ-UHFFFAOYSA-N	-1	0	301.306	0.510	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000420553425	416418904	/nfs/dbraw/zinc/41/89/04/416418904.db2.gz	HYRIVXOVUIIFSO-UHFFFAOYSA-N	-1	0	320.345	0.801	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)o1	ZINC000361127523	416422332	/nfs/dbraw/zinc/42/23/32/416422332.db2.gz	BBAIAFXTGDMUDL-UHFFFAOYSA-N	-1	0	316.302	0.928	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c(F)c1	ZINC000422658127	416445798	/nfs/dbraw/zinc/44/57/98/416445798.db2.gz	CDLPWSLBRZWZIC-NSHDSACASA-N	-1	0	305.265	0.711	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)C(F)F)c(F)c1	ZINC000435643003	416530793	/nfs/dbraw/zinc/53/07/93/416530793.db2.gz	ZAEXVQPALGPJKY-QMMMGPOBSA-N	-1	0	312.244	0.741	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000491535436	416603486	/nfs/dbraw/zinc/60/34/86/416603486.db2.gz	BSNQBHBIJPGCFN-SUMWQHHRSA-N	-1	0	316.357	0.185	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000491633074	416607611	/nfs/dbraw/zinc/60/76/11/416607611.db2.gz	SFFXXLBUNAFWBR-CHWSQXEVSA-N	-1	0	304.346	0.041	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000491013886	416583240	/nfs/dbraw/zinc/58/32/40/416583240.db2.gz	MHJBCWIFTRAHAQ-UHFFFAOYSA-N	-1	0	321.354	0.716	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@H]1C(=O)[O-]	ZINC000564987415	416903149	/nfs/dbraw/zinc/90/31/49/416903149.db2.gz	VTMIORXNKZKJES-WRWGMCAJSA-N	-1	0	307.350	0.364	20	30		DCEDRM
N#Cc1ccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)nc1	ZINC000378593795	417082589	/nfs/dbraw/zinc/08/25/89/417082589.db2.gz	FOMWTUIKWPKLPY-UHFFFAOYSA-N	-1	0	303.347	1.287	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000569811477	417296330	/nfs/dbraw/zinc/29/63/30/417296330.db2.gz	ZMQYSEDCIVNUTJ-JTQLQIEISA-N	-1	0	303.384	0.652	20	30		DCEDRM
COC(=O)[C@]1([N-]S(=O)(=O)CCC(C)(C)C#N)CCOC1	ZINC000574963144	417495379	/nfs/dbraw/zinc/49/53/79/417495379.db2.gz	ZVTNHWMUUMROLZ-LBPRGKRZSA-N	-1	0	304.368	0.178	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(CC)[C@@H](C)CC(=O)[O-]	ZINC000571331452	417448217	/nfs/dbraw/zinc/44/82/17/417448217.db2.gz	LZKMDYXBYYXMSO-MNOVXSKESA-N	-1	0	305.400	0.898	20	30		DCEDRM
C=CCc1ccccc1OC[C@@H](O)CN1CCO[C@H](C(=O)[O-])C1	ZINC000574213438	417481392	/nfs/dbraw/zinc/48/13/92/417481392.db2.gz	SPULLPVQTOTOLX-HOCLYGCPSA-N	-1	0	321.373	0.940	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)CC(=O)[O-]	ZINC000530487769	417580496	/nfs/dbraw/zinc/58/04/96/417580496.db2.gz	TXLQVNJDNLVHHA-LLVKDONJSA-N	-1	0	318.395	0.870	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	ZINC000646046994	417861609	/nfs/dbraw/zinc/86/16/09/417861609.db2.gz	ZVCULTATVOSIEO-GFCCVEGCSA-N	-1	0	320.411	0.741	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000652071190	417844585	/nfs/dbraw/zinc/84/45/85/417844585.db2.gz	LDHKLXZZJIDIEF-LBPRGKRZSA-N	-1	0	307.350	0.534	20	30		DCEDRM
C=CC[C@H](C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000659054153	418050286	/nfs/dbraw/zinc/05/02/86/418050286.db2.gz	VNRGJTUZAAYIDA-VIFPVBQESA-N	-1	0	308.338	0.722	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000659665290	418140503	/nfs/dbraw/zinc/14/05/03/418140503.db2.gz	QCKARMABDGVCFM-NWDGAFQWSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659654178	418138022	/nfs/dbraw/zinc/13/80/22/418138022.db2.gz	ZRAIXUAOMXEBNW-XHBSWPGZSA-N	-1	0	324.377	0.407	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000649185927	418207094	/nfs/dbraw/zinc/20/70/94/418207094.db2.gz	NTLJYBZGNDEEEH-ZDUSSCGKSA-N	-1	0	313.357	0.978	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@]2(C(=O)[O-])C[C@@H](OCC)C2(C)C)nn1	ZINC000649249212	418215026	/nfs/dbraw/zinc/21/50/26/418215026.db2.gz	XQXZORHLNCRQCG-ABAIWWIYSA-N	-1	0	322.365	0.852	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)C(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000655977060	418310411	/nfs/dbraw/zinc/31/04/11/418310411.db2.gz	BGLOYDBZGPLURJ-CQSZACIVSA-N	-1	0	316.357	0.627	20	30		DCEDRM
C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000656002965	418315597	/nfs/dbraw/zinc/31/55/97/418315597.db2.gz	OBAXJRVFDWKDPZ-LLVKDONJSA-N	-1	0	308.334	0.674	20	30		DCEDRM
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)C(=O)[O-])cc2C1=O	ZINC000655561699	418275530	/nfs/dbraw/zinc/27/55/30/418275530.db2.gz	MYHJUGYOIZYSPR-SECBINFHSA-N	-1	0	316.313	0.919	20	30		DCEDRM
CS(=O)(=O)[N-]c1nnc(NC(=O)c2cnccc2C#N)s1	ZINC000362597090	262049703	/nfs/dbraw/zinc/04/97/03/262049703.db2.gz	UIENHLCVXUYRFJ-UHFFFAOYSA-N	-1	0	324.347	0.429	20	30		DCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)OC)c1	ZINC000438222789	267261298	/nfs/dbraw/zinc/26/12/98/267261298.db2.gz	DMSOTRYKLMLPOC-UHFFFAOYSA-N	-1	0	323.334	0.690	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cc1C(N)=O	ZINC000536900699	287862414	/nfs/dbraw/zinc/86/24/14/287862414.db2.gz	OJAYDKWYPSSJGV-UHFFFAOYSA-N	-1	0	305.319	0.490	20	30		DCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(C)c1C#N	ZINC000548241363	288124397	/nfs/dbraw/zinc/12/43/97/288124397.db2.gz	QHYHTKZWKZZFAT-NSHDSACASA-N	-1	0	312.347	0.587	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1	ZINC000548531207	288150848	/nfs/dbraw/zinc/15/08/48/288150848.db2.gz	XUMWCSUMANSRBZ-ZYHUDNBSSA-N	-1	0	310.331	0.326	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000563226499	288650745	/nfs/dbraw/zinc/65/07/45/288650745.db2.gz	ODAWIYKQQJAQAX-ZDUSSCGKSA-N	-1	0	324.358	0.800	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000316530504	301488787	/nfs/dbraw/zinc/48/87/87/301488787.db2.gz	KKMOKSCRVOKFNU-LBPRGKRZSA-N	-1	0	324.358	0.731	20	30		DCEDRM
C=C[C@@H](CO)NC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-]	ZINC000426845583	332156901	/nfs/dbraw/zinc/15/69/01/332156901.db2.gz	NENGJRMHHDYBNZ-JTQLQIEISA-N	-1	0	303.318	0.863	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000563610358	333636920	/nfs/dbraw/zinc/63/69/20/333636920.db2.gz	VUAUBULTMTZEMT-QWRGUYRKSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C=CCNC(=O)c1cccc(S(=O)(=O)NCCC(=O)[O-])c1	ZINC000340237284	334154005	/nfs/dbraw/zinc/15/40/05/334154005.db2.gz	UCRCCAHQZHUDTQ-UHFFFAOYSA-N	-1	0	312.347	0.355	20	30		DCEDRM
N#CCCCCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000330838947	334814925	/nfs/dbraw/zinc/81/49/25/334814925.db2.gz	MRMWCABNCYVBJN-JTQLQIEISA-N	-1	0	313.383	0.713	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@]1(C)C(=O)[O-]	ZINC000583266747	337296376	/nfs/dbraw/zinc/29/63/76/337296376.db2.gz	VEADTOTVQTWXDR-ZYHUDNBSSA-N	-1	0	303.384	0.794	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	ZINC000583875308	337367893	/nfs/dbraw/zinc/36/78/93/337367893.db2.gz	CZSQDQQILNBZFT-NSHDSACASA-N	-1	0	321.399	0.182	20	30		DCEDRM
C=CCn1cc(CNS(=O)(=O)CCCCCC(=O)[O-])nn1	ZINC000572360155	337616303	/nfs/dbraw/zinc/61/63/03/337616303.db2.gz	IWPQQWWKSLYOIU-UHFFFAOYSA-N	-1	0	316.383	0.529	20	30		DCEDRM
C=CC[C@H](CC)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424449787	337833677	/nfs/dbraw/zinc/83/36/77/337833677.db2.gz	MCMIDZDFZRZTPJ-VHSXEESVSA-N	-1	0	304.368	0.234	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[C@@H](C)CC(=O)[O-]	ZINC000515064138	337978001	/nfs/dbraw/zinc/97/80/01/337978001.db2.gz	JLWLSHUYNIRSIK-MNOVXSKESA-N	-1	0	305.400	0.803	20	30		DCEDRM
Cc1cc(=NC(=O)N=c2nc3ccccn3[n-]2)[nH]n1CCC#N	ZINC000446269355	338523924	/nfs/dbraw/zinc/52/39/24/338523924.db2.gz	MPWVXTVUELXALA-UHFFFAOYSA-N	-1	0	310.321	0.636	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)C1CCCCC1	ZINC000491808941	339883281	/nfs/dbraw/zinc/88/32/81/339883281.db2.gz	WFQOYGTUFCTAJF-LBPRGKRZSA-N	-1	0	306.362	0.714	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(OC)cc1F)C(=O)[O-]	ZINC000543787920	341058802	/nfs/dbraw/zinc/05/88/02/341058802.db2.gz	NNAQDWOHGCQZBQ-NSHDSACASA-N	-1	0	315.322	0.979	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000547874718	341238797	/nfs/dbraw/zinc/23/87/97/341238797.db2.gz	KTYCSMYYRMQDLF-XYPYZODXSA-N	-1	0	303.384	0.557	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2c(C)cnn2C)n(CCC#N)n1	ZINC000551933711	341355401	/nfs/dbraw/zinc/35/54/01/341355401.db2.gz	YFQJRCSAOSWRLO-UHFFFAOYSA-N	-1	0	308.367	0.948	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)C1CC1	ZINC000565837026	341539782	/nfs/dbraw/zinc/53/97/82/341539782.db2.gz	JTKJTDAGSBRFCS-SCVCMEIPSA-N	-1	0	317.411	0.802	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H]2CCC[C@]2(C(=O)[O-])C1	ZINC000576231550	341835034	/nfs/dbraw/zinc/83/50/34/341835034.db2.gz	LDGWKPNJCGMWTI-WZRBSPASSA-N	-1	0	315.395	0.509	20	30		DCEDRM
COC[C@@H](O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000160918423	522419988	/nfs/dbraw/zinc/41/99/88/522419988.db2.gz	WZKMBTZQSDEVCE-QMMMGPOBSA-N	-1	0	306.290	0.122	20	30		DCEDRM
CC#CCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000355672260	526316348	/nfs/dbraw/zinc/31/63/48/526316348.db2.gz	MXJDBASWVBLINF-UHFFFAOYSA-N	-1	0	316.329	0.773	20	30		DCEDRM
C=C(C)COCC[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000163189284	526656278	/nfs/dbraw/zinc/65/62/78/526656278.db2.gz	GWYWQZUBCZVEAX-UHFFFAOYSA-N	-1	0	320.392	0.801	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)[O-]	ZINC000262878771	526788584	/nfs/dbraw/zinc/78/85/84/526788584.db2.gz	BXWPTGCJPLJSAH-DGCLKSJQSA-N	-1	0	324.377	0.550	20	30		DCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)C(=O)[O-])cc1	ZINC000262527756	527049998	/nfs/dbraw/zinc/04/99/98/527049998.db2.gz	NYXJNWAETLAZPB-SNVBAGLBSA-N	-1	0	324.358	0.049	20	30		DCEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC)C(=O)[O-])c1	ZINC000263193261	527058778	/nfs/dbraw/zinc/05/87/78/527058778.db2.gz	ZDNHZHROOLOTQP-GFCCVEGCSA-N	-1	0	324.358	0.191	20	30		DCEDRM
C#CCONC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000291294980	527068970	/nfs/dbraw/zinc/06/89/70/527068970.db2.gz	PZHCIRWCVFNGNU-UHFFFAOYSA-N	-1	0	324.358	0.471	20	30		DCEDRM
CCOC(=O)CO/N=C(/C(=O)[N-]OCC(C)C)c1cc[nH]n1	ZINC000278494714	528821251	/nfs/dbraw/zinc/82/12/51/528821251.db2.gz	KCMPZWORIAPPSU-FOWTUZBSSA-N	-1	0	312.326	0.397	20	30		DCEDRM
COc1ccc(S(=O)(=O)N(C)CCCC(=O)NO)cc1	ZINC000671995706	547309623	/nfs/dbraw/zinc/30/96/23/547309623.db2.gz	JKWNKUUAEQBVNB-UHFFFAOYSA-N	-1	0	302.352	0.601	20	30		DCEDRM
CSCCCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000737180739	598891940	/nfs/dbraw/zinc/89/19/40/598891940.db2.gz	CNBJJZXHGFHDNQ-UHFFFAOYSA-N	-1	0	306.355	0.933	20	30		DCEDRM
COC(=O)c1cccc(CN2CCO[C@H](C(=O)[O-])C2)c1C#N	ZINC000820689578	597406394	/nfs/dbraw/zinc/40/63/94/597406394.db2.gz	UYOWVHRNXAZPPE-ZDUSSCGKSA-N	-1	0	304.302	0.630	20	30		DCEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)[O-])c1	ZINC000737493579	597496413	/nfs/dbraw/zinc/49/64/13/597496413.db2.gz	CTYHLRYUCSDSTO-VIFPVBQESA-N	-1	0	311.315	0.228	20	30		DCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NC[C@@H]1CCCO1	ZINC000820160718	597613617	/nfs/dbraw/zinc/61/36/17/597613617.db2.gz	HEFBGEKIPXWKNS-PKFCDNJMSA-N	-1	0	312.322	0.218	20	30		DCEDRM
Cc1cc(NC(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])on1	ZINC000821008893	597613906	/nfs/dbraw/zinc/61/39/06/597613906.db2.gz	QYQKBQMTVMCZPI-SDBXPKJASA-N	-1	0	309.278	0.858	20	30		DCEDRM
CN(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)OC(C)(C)C	ZINC000820597321	597643232	/nfs/dbraw/zinc/64/32/32/597643232.db2.gz	JQAUWCWOKIYCIV-CQSZACIVSA-N	-1	0	313.354	0.974	20	30		DCEDRM
COc1cccc([C@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000820865400	597646473	/nfs/dbraw/zinc/64/64/73/597646473.db2.gz	NJCJSJRCYOEEQE-DOMZBBRYSA-N	-1	0	306.318	0.849	20	30		DCEDRM
CCOCCN1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H]1C	ZINC000820377831	597648706	/nfs/dbraw/zinc/64/87/06/597648706.db2.gz	KTDGRXSELBYXEL-WFASDCNBSA-N	-1	0	311.382	0.560	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCS(=O)(=O)C(C)(C)C1	ZINC000819823723	597655269	/nfs/dbraw/zinc/65/52/69/597655269.db2.gz	WHQCBOZPHUGQHE-LBPRGKRZSA-N	-1	0	302.352	0.027	20	30		DCEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nnc2n1CCCC2	ZINC000820113759	597657446	/nfs/dbraw/zinc/65/74/46/597657446.db2.gz	GDJBXICMQOTGCZ-YMTOWFKASA-N	-1	0	305.338	0.796	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1ccc(C#N)cn1)[C@H](C)C(=O)[O-]	ZINC000819752727	597691477	/nfs/dbraw/zinc/69/14/77/597691477.db2.gz	CCIFPBASGNAKDM-SECBINFHSA-N	-1	0	304.306	0.005	20	30		DCEDRM
O=C([O-])CCNN=C1C(=O)Nc2cc3c(cc21)OCCCO3	ZINC000821525471	597741954	/nfs/dbraw/zinc/74/19/54/597741954.db2.gz	XGNZTGLOIGJSBS-UHFFFAOYSA-N	-1	0	305.290	0.568	20	30		DCEDRM
C[C@@H]1CC(=NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)NO1	ZINC000820228704	598057259	/nfs/dbraw/zinc/05/72/59/598057259.db2.gz	SCPDVIIWXIMHJA-BXKDBHETSA-N	-1	0	316.317	0.944	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cc(=O)n2ccsc2n1	ZINC000819875237	598224405	/nfs/dbraw/zinc/22/44/05/598224405.db2.gz	VXCIZPJOHUMUNB-CYBMUJFWSA-N	-1	0	321.314	0.804	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(c2ccccc2)C1=O	ZINC000819834252	598227191	/nfs/dbraw/zinc/22/71/91/598227191.db2.gz	MFQRFZQZQRHDRU-BLLLJJGKSA-N	-1	0	315.329	0.913	20	30		DCEDRM
C[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)C(F)(F)F	ZINC000819877631	599313230	/nfs/dbraw/zinc/31/32/30/599313230.db2.gz	ZKDHKJUGGAREIR-GSVOUGTGSA-N	-1	0	300.204	0.598	20	30		DCEDRM
CC[C@@H](C)[C@H](NC(=O)COC(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC000736889400	599791422	/nfs/dbraw/zinc/79/14/22/599791422.db2.gz	XRIMOMFLJOVPAE-RNCFNFMXSA-N	-1	0	319.317	0.726	20	30		DCEDRM
N#C[C@H](C(=O)CCSCC(=O)[O-])C(=O)Nc1ccccn1	ZINC000739074442	599799079	/nfs/dbraw/zinc/79/90/79/599799079.db2.gz	JMBBOAVHRPEKDU-SECBINFHSA-N	-1	0	307.331	0.937	20	30		DCEDRM
N#CCCN(C(=O)CCC(=O)NCC(=O)[O-])c1ccccc1	ZINC000738427416	599826313	/nfs/dbraw/zinc/82/63/13/599826313.db2.gz	BCVLTXDOOZFFAS-UHFFFAOYSA-N	-1	0	303.318	0.914	20	30		DCEDRM
Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCO[C@@H](C#N)C1	ZINC000093932504	599938488	/nfs/dbraw/zinc/93/84/88/599938488.db2.gz	PPRWPDWAMRRDOS-JTQLQIEISA-N	-1	0	310.331	0.606	20	30		DCEDRM
C#CCNC(=O)CN1CCN(Cc2cc(C)c(C(=O)[O-])o2)CC1	ZINC000736076854	599964480	/nfs/dbraw/zinc/96/44/80/599964480.db2.gz	VMSYXRQPBOFYKK-UHFFFAOYSA-N	-1	0	319.361	0.153	20	30		DCEDRM
N#Cc1ccc(Cl)cc1NC(=O)CN1CCO[C@@H](C(=O)[O-])C1	ZINC000738432718	599972682	/nfs/dbraw/zinc/97/26/82/599972682.db2.gz	QGBSCIHNQKVOGE-GFCCVEGCSA-N	-1	0	323.736	0.936	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCO1	ZINC000093932585	599981281	/nfs/dbraw/zinc/98/12/81/599981281.db2.gz	IHMUNVCXGYZMQR-GFCCVEGCSA-N	-1	0	310.331	0.439	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)cc1	ZINC000738430443	599996821	/nfs/dbraw/zinc/99/68/21/599996821.db2.gz	JXGLVVSJAHWJFD-UHFFFAOYSA-N	-1	0	316.317	0.110	20	30		DCEDRM
N#CCCCCS(=O)(=O)N1CCN(CCC(=O)[O-])CC1	ZINC000739069632	600083499	/nfs/dbraw/zinc/08/34/99/600083499.db2.gz	TWHQDZCWFMTPCG-UHFFFAOYSA-N	-1	0	303.384	0.102	20	30		DCEDRM
N#CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000739075639	600105245	/nfs/dbraw/zinc/10/52/45/600105245.db2.gz	KSNVUIMREQLFRO-UHFFFAOYSA-N	-1	0	324.274	0.331	20	30		DCEDRM
Cc1nn(CC(=O)c2cc(C(=O)[O-])co2)c(=O)c(C#N)c1C	ZINC000738921858	600147777	/nfs/dbraw/zinc/14/77/77/600147777.db2.gz	PJWPUZZNNCMDCC-UHFFFAOYSA-N	-1	0	301.258	0.906	20	30		DCEDRM
N#Cc1cccc(CNC(=O)COC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1	ZINC000739133833	600167449	/nfs/dbraw/zinc/16/74/49/600167449.db2.gz	PWOBNQJJISTHRK-RYUDHWBXSA-N	-1	0	302.286	0.438	20	30		DCEDRM
N#Cc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc1	ZINC000739101576	600172293	/nfs/dbraw/zinc/17/22/93/600172293.db2.gz	JSSMBHKYMPOAPR-UHFFFAOYSA-N	-1	0	317.345	0.417	20	30		DCEDRM
N#Cc1ccc(N2CC[C@H](OC(=O)CCNC(=O)[O-])C2=O)cc1	ZINC000739123014	600201081	/nfs/dbraw/zinc/20/10/81/600201081.db2.gz	KNPVJFQSVVRXAU-LBPRGKRZSA-N	-1	0	317.301	0.864	20	30		DCEDRM
C=CC[C@H](C)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC000736096469	600271788	/nfs/dbraw/zinc/27/17/88/600271788.db2.gz	NKNAMXHXXXSCGI-GXFFZTMASA-N	-1	0	318.329	0.946	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCn1cc(Br)cn1	ZINC000739077444	600402039	/nfs/dbraw/zinc/40/20/39/600402039.db2.gz	OTZKVBFBWKGMBL-UHFFFAOYSA-N	-1	0	315.127	0.472	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cn(-c2ccc(Cl)cc2)nn1	ZINC000739087531	600402467	/nfs/dbraw/zinc/40/24/67/600402467.db2.gz	NTRNSGKFIGBJNV-UHFFFAOYSA-N	-1	0	319.708	0.971	20	30		DCEDRM
Cc1cc(C)n(-c2ccc(C(=O)N(CC#N)CC(=O)[O-])cn2)n1	ZINC000738369179	600402962	/nfs/dbraw/zinc/40/29/62/600402962.db2.gz	OJWZEJPSSRZGJP-UHFFFAOYSA-N	-1	0	313.317	0.935	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(N2CCNC2=O)ccc1F	ZINC000739078251	600403853	/nfs/dbraw/zinc/40/38/53/600403853.db2.gz	CGZFISVYRUAOND-UHFFFAOYSA-N	-1	0	320.280	0.406	20	30		DCEDRM
COC(=O)CN(CC#N)C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000737603470	600405439	/nfs/dbraw/zinc/40/54/39/600405439.db2.gz	DITGYTHPHYYGTJ-UHFFFAOYSA-N	-1	0	304.302	0.843	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000739087346	600409511	/nfs/dbraw/zinc/40/95/11/600409511.db2.gz	XYYHFVKMBJVZOV-UHFFFAOYSA-N	-1	0	303.234	0.521	20	30		DCEDRM
COCCCNC(=O)CN(C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737761979	600566209	/nfs/dbraw/zinc/56/62/09/600566209.db2.gz	DCHJPZKNLSUYOD-OAHLLOKOSA-N	-1	0	319.361	0.768	20	30		DCEDRM
C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCS1(=O)=O	ZINC000736811552	600571909	/nfs/dbraw/zinc/57/19/09/600571909.db2.gz	ZCXIOXNSWQUPOB-MFKMUULPSA-N	-1	0	308.359	0.803	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)[C@H]2CCS(=O)(=O)C2)C(=O)[O-])cc1	ZINC000739112336	600609301	/nfs/dbraw/zinc/60/93/01/600609301.db2.gz	YZDOIZVAIGDMAQ-RYUDHWBXSA-N	-1	0	323.326	0.662	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[nH]n2)c1	ZINC000826386990	607462084	/nfs/dbraw/zinc/46/20/84/607462084.db2.gz	BEYFICZXWXMALE-UHFFFAOYSA-N	-1	0	316.306	0.262	20	30		DCEDRM
C[C@@]1(C(=O)N(CC#N)CC(=O)[O-])Cc2ccccc2C(=O)O1	ZINC000736727179	600675043	/nfs/dbraw/zinc/67/50/43/600675043.db2.gz	DOHOXLKHKRIHOS-HNNXBMFYSA-N	-1	0	302.286	0.595	20	30		DCEDRM
C#CCCN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1	ZINC000825609089	600724853	/nfs/dbraw/zinc/72/48/53/600724853.db2.gz	UBBXVGBXXADUGD-UHFFFAOYSA-N	-1	0	311.363	0.043	20	30		DCEDRM
COC(=O)C1C(=CC(=O)[O-])NC(=S)N[C@@H]1c1ccc(C#N)o1	ZINC000831100358	600782855	/nfs/dbraw/zinc/78/28/55/600782855.db2.gz	NHXLZWJYLVFYBN-LLVKDONJSA-N	-1	0	321.314	0.572	20	30		DCEDRM
N#Cc1cccc(-c2nnc(CN3CCO[C@H](C(=O)[O-])C3)o2)c1	ZINC000819106449	600824886	/nfs/dbraw/zinc/82/48/86/600824886.db2.gz	REBXATRTZCVFIV-LBPRGKRZSA-N	-1	0	314.301	0.894	20	30		DCEDRM
C[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1	ZINC000825967004	600892042	/nfs/dbraw/zinc/89/20/42/600892042.db2.gz	PZEPQQJMFMKXRI-QMMMGPOBSA-N	-1	0	311.319	0.148	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1noc(-c2cccc(F)c2)n1	ZINC000833065937	600963568	/nfs/dbraw/zinc/96/35/68/600963568.db2.gz	LNGRIZYPVKOLQK-UHFFFAOYSA-N	-1	0	304.237	0.926	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1	ZINC000739077530	601020283	/nfs/dbraw/zinc/02/02/83/601020283.db2.gz	PLXWVBLIFBKIMA-NSHDSACASA-N	-1	0	323.255	0.895	20	30		DCEDRM
C#CCN(Cc1ccc(F)cc1)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000825614866	601198617	/nfs/dbraw/zinc/19/86/17/601198617.db2.gz	ZZHUPVSXSZHPPE-UHFFFAOYSA-N	-1	0	316.292	0.777	20	30		DCEDRM
CS(=O)(=O)c1ccc([C@H](O)CN(CC#N)CC(=O)[O-])cc1	ZINC000832716087	601226104	/nfs/dbraw/zinc/22/61/04/601226104.db2.gz	FGZVLAYNLZGOLB-GFCCVEGCSA-N	-1	0	312.347	0.034	20	30		DCEDRM
Cc1cccc(C)c1OCCNC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832965683	601227528	/nfs/dbraw/zinc/22/75/28/601227528.db2.gz	MNLGQHVATWERNX-UHFFFAOYSA-N	-1	0	319.361	0.709	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000833040507	601269600	/nfs/dbraw/zinc/26/96/00/601269600.db2.gz	KHRVKPVLDRCYNP-UHFFFAOYSA-N	-1	0	305.334	0.993	20	30		DCEDRM
COC(=O)[C@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC000831112504	601315651	/nfs/dbraw/zinc/31/56/51/601315651.db2.gz	ABOUHEFLEPAYQT-OLZOCXBDSA-N	-1	0	304.302	0.558	20	30		DCEDRM
COC(=O)[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC000831112503	601315867	/nfs/dbraw/zinc/31/58/67/601315867.db2.gz	ABOUHEFLEPAYQT-CHWSQXEVSA-N	-1	0	304.302	0.558	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000819095975	601362159	/nfs/dbraw/zinc/36/21/59/601362159.db2.gz	PPHMLSWLLHKRIH-UHFFFAOYSA-N	-1	0	319.292	0.959	20	30		DCEDRM
C/C(=C/COC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000825758086	601427343	/nfs/dbraw/zinc/42/73/43/601427343.db2.gz	CIZDSRWGAGOXOU-AICKFXJLSA-N	-1	0	308.290	0.477	20	30		DCEDRM
Cn1ncc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1N	ZINC000833062985	601590583	/nfs/dbraw/zinc/59/05/83/601590583.db2.gz	TWXVDPFPTZLGPY-LLVKDONJSA-N	-1	0	300.274	0.857	20	30		DCEDRM
C[C@@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)C[C@@H]1C(=O)[O-]	ZINC000828361235	601650585	/nfs/dbraw/zinc/65/05/85/601650585.db2.gz	GFJNKAZVANXIEI-PWSUYJOCSA-N	-1	0	317.349	0.727	20	30		DCEDRM
CC(C)(CNC(=O)NCCNc1ccc(C#N)cn1)C(=O)[O-]	ZINC000826580270	601667154	/nfs/dbraw/zinc/66/71/54/601667154.db2.gz	IWPHQMIIZDKALF-UHFFFAOYSA-N	-1	0	305.338	0.775	20	30		DCEDRM
C=C[C@@H](C)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC000825653482	601763600	/nfs/dbraw/zinc/76/36/00/601763600.db2.gz	MHIHGONHNDXGAD-SKDRFNHKSA-N	-1	0	304.302	0.556	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])CCO1	ZINC000833061445	601982437	/nfs/dbraw/zinc/98/24/37/601982437.db2.gz	BVWPQZGWFWQROD-MRVPVSSYSA-N	-1	0	314.294	0.437	20	30		DCEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCN3C(=O)OC[C@H]3C2)cc1	ZINC000833070926	602059194	/nfs/dbraw/zinc/05/91/94/602059194.db2.gz	BPCXNUVMRZHVJJ-OLZOCXBDSA-N	-1	0	301.302	0.820	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000261759130	602145422	/nfs/dbraw/zinc/14/54/22/602145422.db2.gz	XLQDRCCQIOBBBV-UHFFFAOYSA-N	-1	0	313.291	0.562	20	30		DCEDRM
C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H]1C(=O)[O-]	ZINC000828310373	602396154	/nfs/dbraw/zinc/39/61/54/602396154.db2.gz	LLCMMNNPEKBTJR-PWSUYJOCSA-N	-1	0	301.298	0.946	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H]1CCCN1C(=O)[O-]	ZINC000831118245	603188539	/nfs/dbraw/zinc/18/85/39/603188539.db2.gz	RKRKZRVWIFYJIH-JTQLQIEISA-N	-1	0	324.362	0.760	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(C(=O)[O-])CC1	ZINC000738251760	603236154	/nfs/dbraw/zinc/23/61/54/603236154.db2.gz	VLZQKTXFGGCXOW-UHFFFAOYSA-N	-1	0	309.347	0.851	20	30		DCEDRM
N#CCCN(CC1CC1)CN1CC2(CN(C(=O)[O-])C2)CC1=O	ZINC000831096978	603589314	/nfs/dbraw/zinc/58/93/14/603589314.db2.gz	ALSWJBWORMABMN-UHFFFAOYSA-N	-1	0	306.366	0.782	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CN1CCCCCCC1=O	ZINC000831082784	603593104	/nfs/dbraw/zinc/59/31/04/603593104.db2.gz	RAMPFRWAQVUAEP-LBPRGKRZSA-N	-1	0	322.365	0.493	20	30		DCEDRM
COc1ccc(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000829340141	603597345	/nfs/dbraw/zinc/59/73/45/603597345.db2.gz	FULLYQPWFOFKQI-GFCCVEGCSA-N	-1	0	303.318	0.952	20	30		DCEDRM
Cc1noc(C)c1CCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830908922	603601781	/nfs/dbraw/zinc/60/17/81/603601781.db2.gz	DEPZVOOPADPKKA-NSHDSACASA-N	-1	0	306.322	0.938	20	30		DCEDRM
CC(C)c1noc(CCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000824511480	603603376	/nfs/dbraw/zinc/60/33/76/603603376.db2.gz	UHZUEYMIOCUUIX-JTQLQIEISA-N	-1	0	321.337	0.840	20	30		DCEDRM
CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)cc1)NC(=O)[O-]	ZINC000823895271	603615165	/nfs/dbraw/zinc/61/51/65/603615165.db2.gz	UBMJMXDTKFDTRM-UHFFFAOYSA-N	-1	0	304.306	0.659	20	30		DCEDRM
N#CCN1CCN(C(=O)[C@@H](CNC(=O)[O-])c2ccccc2)CC1	ZINC000831102548	603627205	/nfs/dbraw/zinc/62/72/05/603627205.db2.gz	NFJDOQWFISNEGV-AWEZNQCLSA-N	-1	0	316.361	0.706	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)C(C)(C)CNC(=O)[O-])CC1	ZINC000824056210	603649940	/nfs/dbraw/zinc/64/99/40/603649940.db2.gz	KFSNCCBGROMNFY-GFCCVEGCSA-N	-1	0	310.398	0.973	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C[C@@H](O)COc1ccccc1	ZINC000831091774	603726033	/nfs/dbraw/zinc/72/60/33/603726033.db2.gz	KOSGBQYYOVBSJP-CHWSQXEVSA-N	-1	0	305.334	0.614	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)NCc1ccc(F)cc1	ZINC000831092087	603728367	/nfs/dbraw/zinc/72/83/67/603728367.db2.gz	POHFSDUQAOVWRP-ZDUSSCGKSA-N	-1	0	320.324	0.630	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1Cc1cc(=O)n2ccccc2n1	ZINC000831091300	603729316	/nfs/dbraw/zinc/72/93/16/603729316.db2.gz	BABZQCSTZRSDKU-GFCCVEGCSA-N	-1	0	313.317	0.382	20	30		DCEDRM
C[C@@H]1CN(C(=O)NC2CCN(CC#N)CC2)CCN1C(=O)[O-]	ZINC000825996202	603775103	/nfs/dbraw/zinc/77/51/03/603775103.db2.gz	KUEVVAGKQMYTBG-LLVKDONJSA-N	-1	0	309.370	0.368	20	30		DCEDRM
C=CCN(CC=C)C(=O)COC(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000823501131	603903125	/nfs/dbraw/zinc/90/31/25/603903125.db2.gz	RBIVLGNKWVWIBM-NSHDSACASA-N	-1	0	312.322	0.109	20	30		DCEDRM
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830914114	603918552	/nfs/dbraw/zinc/91/85/52/603918552.db2.gz	MNZPYPFHFOUMMH-SECBINFHSA-N	-1	0	314.323	0.168	20	30		DCEDRM
N#Cc1cc(NC(=O)CNC(=O)[O-])ccc1N1CCC(O)CC1	ZINC000831118034	603934392	/nfs/dbraw/zinc/93/43/92/603934392.db2.gz	KCXQFTSVUQBUTF-UHFFFAOYSA-N	-1	0	318.333	0.725	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)COC2CN(C(=O)[O-])C2)c1	ZINC000831131784	604020165	/nfs/dbraw/zinc/02/01/65/604020165.db2.gz	ATPCSTYAPABEDX-UHFFFAOYSA-N	-1	0	307.281	0.692	20	30		DCEDRM
CN(C(=O)NC1CCN(CC#N)CC1)C1CCN(C(=O)[O-])CC1	ZINC000827786429	604035795	/nfs/dbraw/zinc/03/57/95/604035795.db2.gz	PKAUWDOQXDYVMI-UHFFFAOYSA-N	-1	0	323.397	0.758	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CCCN(S(=O)(=O)CCCC#N)C1	ZINC000825270298	604042721	/nfs/dbraw/zinc/04/27/21/604042721.db2.gz	ADSQOJRZZOFXHY-MNOVXSKESA-N	-1	0	303.384	0.988	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COCc1ccccc1	ZINC000831081929	604069902	/nfs/dbraw/zinc/06/99/02/604069902.db2.gz	DQAYUKIUXDCQOD-CYBMUJFWSA-N	-1	0	303.318	0.918	20	30		DCEDRM
N#C[C@@H](C(=O)Nc1ccccn1)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000831064508	604152970	/nfs/dbraw/zinc/15/29/70/604152970.db2.gz	HJEPERJBPUTYNM-YMTOWFKASA-N	-1	0	320.280	0.821	20	30		DCEDRM
C[C@@H]1CN(C(=O)Nc2nn(C)cc2C#N)CC[C@@H]1NC(=O)[O-]	ZINC000826022093	604153774	/nfs/dbraw/zinc/15/37/74/604153774.db2.gz	YYVQDHUOAPGNMV-SCZZXKLOSA-N	-1	0	306.326	0.802	20	30		DCEDRM
CN(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2nn(C)cc2C#N)C1	ZINC000827822550	604153867	/nfs/dbraw/zinc/15/38/67/604153867.db2.gz	LXNLRTFKAUICKK-SNVBAGLBSA-N	-1	0	306.326	0.898	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])cc1	ZINC000831132185	604193343	/nfs/dbraw/zinc/19/33/43/604193343.db2.gz	PLYUYTQOYXICGH-GFCCVEGCSA-N	-1	0	316.317	0.755	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@H](NC(=O)[O-])C1	ZINC000831117858	604216633	/nfs/dbraw/zinc/21/66/33/604216633.db2.gz	GDTDWPJUANNKNL-JTQLQIEISA-N	-1	0	324.362	0.442	20	30		DCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000824881015	604241972	/nfs/dbraw/zinc/24/19/72/604241972.db2.gz	RTHNNNCEZKNVSW-SKDRFNHKSA-N	-1	0	319.317	0.874	20	30		DCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC000736379564	604382270	/nfs/dbraw/zinc/38/22/70/604382270.db2.gz	DQCBOIKSTOFPFG-FZMZJTMJSA-N	-1	0	311.338	0.630	20	30		DCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C(C)C	ZINC000736380570	604384454	/nfs/dbraw/zinc/38/44/54/604384454.db2.gz	HGDJSIBHZRKAAU-SMDDNHRTSA-N	-1	0	313.354	0.876	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)CC1	ZINC000389046375	604464625	/nfs/dbraw/zinc/46/46/25/604464625.db2.gz	RGAVPKDQDBBMIA-UHFFFAOYSA-N	-1	0	322.386	0.633	20	30		DCEDRM
C#CCNC(=O)COC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000823455958	604542187	/nfs/dbraw/zinc/54/21/87/604542187.db2.gz	IFNNNJOFQRUDAX-NEPJUHHUSA-N	-1	0	310.350	0.695	20	30		DCEDRM
C[C@@H](OC(=O)c1ccc(C#N)cn1)c1cn(CC(=O)[O-])nn1	ZINC000827851933	604696083	/nfs/dbraw/zinc/69/60/83/604696083.db2.gz	DVYANLBSXRXOHP-MRVPVSSYSA-N	-1	0	301.262	0.547	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc(C#N)cn2)CCO1	ZINC000825337563	604705255	/nfs/dbraw/zinc/70/52/55/604705255.db2.gz	YPJFRHYQVDMGIL-JOYOIKCWSA-N	-1	0	304.306	0.450	20	30		DCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)COc1ccc(C#N)cc1	ZINC000829954469	604719194	/nfs/dbraw/zinc/71/91/94/604719194.db2.gz	HISIRGHRDMCERT-ZDUSSCGKSA-N	-1	0	306.318	0.885	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000824054746	604802625	/nfs/dbraw/zinc/80/26/25/604802625.db2.gz	CAPKUMSWWYBPIF-CHWSQXEVSA-N	-1	0	324.381	0.058	20	30		DCEDRM
C=CCN(C[C@@H]1CC(C(=O)[O-])=C(C)O1)[C@H]1CCS(=O)(=O)C1	ZINC000833375216	604832735	/nfs/dbraw/zinc/83/27/35/604832735.db2.gz	JTBWKULFYMWHGM-RYUDHWBXSA-N	-1	0	315.391	0.809	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])cn1	ZINC000831087873	604868721	/nfs/dbraw/zinc/86/87/21/604868721.db2.gz	SLHZCRYYHAXWQO-SECBINFHSA-N	-1	0	305.250	0.318	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000831142073	604873658	/nfs/dbraw/zinc/87/36/58/604873658.db2.gz	QULRIKWDMDHAPR-CYBMUJFWSA-N	-1	0	319.317	0.432	20	30		DCEDRM
N#Cc1ccc(OCCNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000831142075	604873752	/nfs/dbraw/zinc/87/37/52/604873752.db2.gz	QULRIKWDMDHAPR-ZDUSSCGKSA-N	-1	0	319.317	0.432	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000833369693	605060442	/nfs/dbraw/zinc/06/04/42/605060442.db2.gz	CWGSVCJWTUUOSC-QMMMGPOBSA-N	-1	0	305.377	0.909	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000833371536	605093108	/nfs/dbraw/zinc/09/31/08/605093108.db2.gz	UKVAZPWAEIWEIW-NSHDSACASA-N	-1	0	320.345	0.933	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000833371793	605093216	/nfs/dbraw/zinc/09/32/16/605093216.db2.gz	WIJOBKQPHIFKJK-NSHDSACASA-N	-1	0	320.345	0.933	20	30		DCEDRM
C=CCNC(=O)CNC(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC000833377467	605215514	/nfs/dbraw/zinc/21/55/14/605215514.db2.gz	YNRAYZHNCPVGEH-UHFFFAOYSA-N	-1	0	321.333	0.495	20	30		DCEDRM
C=CCNC(=O)CNC(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000833377045	605239438	/nfs/dbraw/zinc/23/94/38/605239438.db2.gz	LAKGXNNDXOOJHH-UHFFFAOYSA-N	-1	0	306.322	0.878	20	30		DCEDRM
C=CCN(Cc1ccccc1F)C(=O)CNC(=O)CNC(=O)[O-]	ZINC000833788272	605363253	/nfs/dbraw/zinc/36/32/53/605363253.db2.gz	STLQQJTYKAJHEO-UHFFFAOYSA-N	-1	0	323.324	0.724	20	30		DCEDRM
N#Cc1cc(COC(=O)CNC(=O)CNC(=O)[O-])ccc1F	ZINC000833970228	605382954	/nfs/dbraw/zinc/38/29/54/605382954.db2.gz	KHJTUFVKHGWPEZ-UHFFFAOYSA-N	-1	0	309.253	0.124	20	30		DCEDRM
N#Cc1ccc(F)cc1COC(=O)CNC(=O)CNC(=O)[O-]	ZINC000833972518	605382963	/nfs/dbraw/zinc/38/29/63/605382963.db2.gz	ASSBYOLEAVMIQT-UHFFFAOYSA-N	-1	0	309.253	0.124	20	30		DCEDRM
C=CCN(C[C@@H]1CCCN1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000833788155	605540370	/nfs/dbraw/zinc/54/03/70/605540370.db2.gz	OSGZKKRKPVDWSF-NWDGAFQWSA-N	-1	0	302.396	0.804	20	30		DCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833375147	605610029	/nfs/dbraw/zinc/61/00/29/605610029.db2.gz	YGIQPAWKIIMFPF-ZJUUUORDSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])nc1	ZINC000833368486	605652643	/nfs/dbraw/zinc/65/26/43/605652643.db2.gz	OIDGSRYPZWNIOF-AAEUAGOBSA-N	-1	0	316.313	0.541	20	30		DCEDRM
N#CCc1ccc(OC[C@H](O)CN2CCN(C(=O)[O-])CC2)cc1	ZINC000833966872	605670980	/nfs/dbraw/zinc/67/09/80/605670980.db2.gz	FCHKYNKESHVORU-CQSZACIVSA-N	-1	0	319.361	0.788	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(CCC(=O)N(C)CCC#N)CCO1	ZINC000833817629	605750499	/nfs/dbraw/zinc/75/04/99/605750499.db2.gz	IEBFSAFCXKPHCM-VXGBXAGGSA-N	-1	0	312.370	0.105	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(C(=O)[O-])no1	ZINC000833534090	605824291	/nfs/dbraw/zinc/82/42/91/605824291.db2.gz	SEOAIENRQBNZAW-RTHLEPHNSA-N	-1	0	323.305	0.973	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cc(C(=O)[O-])no1	ZINC000833465153	605825132	/nfs/dbraw/zinc/82/51/32/605825132.db2.gz	HMAYWKXTQIZOSA-CYBMUJFWSA-N	-1	0	309.278	0.584	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)NC[C@H]2CCCN2C(=O)[O-])cc1	ZINC000833972503	605837949	/nfs/dbraw/zinc/83/79/49/605837949.db2.gz	DMMJTWZMUCDDFH-CHWSQXEVSA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#C[C@H]1CSCCN1C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000833966249	605972803	/nfs/dbraw/zinc/97/28/03/605972803.db2.gz	ITEVRMMGAIBZRX-ZJUUUORDSA-N	-1	0	315.420	0.939	20	30		DCEDRM
N#CCN1CCN(C(=O)Cc2ccccc2NC(=O)[O-])CC1	ZINC000833967824	606061979	/nfs/dbraw/zinc/06/19/79/606061979.db2.gz	UZIFRWSBSYQPFY-UHFFFAOYSA-N	-1	0	302.334	0.987	20	30		DCEDRM
N#CC1(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCSCC1	ZINC000833963274	606072852	/nfs/dbraw/zinc/07/28/52/606072852.db2.gz	KTMGLSYDXZGSCC-JTQLQIEISA-N	-1	0	313.379	0.661	20	30		DCEDRM
N#C[C@H](C(=O)CCOC1CN(C(=O)[O-])C1)C(=O)NC1CCCC1	ZINC000833961729	606110507	/nfs/dbraw/zinc/11/05/07/606110507.db2.gz	ULQRUAUUCHVZSZ-GFCCVEGCSA-N	-1	0	323.349	0.523	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1cc(F)ccc1C#N	ZINC000822829609	607040232	/nfs/dbraw/zinc/04/02/32/607040232.db2.gz	AAHCBSUDNPOVDD-UHFFFAOYSA-N	-1	0	309.268	0.576	20	30		DCEDRM
CC(=O)Oc1ccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)cc1	ZINC000819826650	607156619	/nfs/dbraw/zinc/15/66/19/607156619.db2.gz	NPDRDWPSXKZPKD-UHFFFAOYSA-N	-1	0	324.304	0.491	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[nH]n1	ZINC000823932070	608275035	/nfs/dbraw/zinc/27/50/35/608275035.db2.gz	MXLNGPZMNISBMV-FPLPWBNLSA-N	-1	0	319.346	0.512	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[nH]n2)cc1	ZINC000823932384	608275176	/nfs/dbraw/zinc/27/51/76/608275176.db2.gz	WECWXVRQEBICBF-UHFFFAOYSA-N	-1	0	321.362	0.431	20	30		DCEDRM
CC[C@H]1C[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCO1	ZINC000825184648	609146810	/nfs/dbraw/zinc/14/68/10/609146810.db2.gz	XJZBSSDHPKKPKC-SFYZADRCSA-N	-1	0	316.325	0.605	20	30		DCEDRM
C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC000970542258	657614932	/nfs/dbraw/zinc/61/49/32/657614932.db2.gz	ZRIJAGLUIMPPIS-NSHDSACASA-N	-1	0	315.377	0.649	20	30		DCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(OCC#N)cc1	ZINC000744238152	658140449	/nfs/dbraw/zinc/14/04/49/658140449.db2.gz	DAOGUQWGAHEHRH-UHFFFAOYSA-N	-1	0	311.363	0.444	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(-n2ccnn2)cc1	ZINC000179342693	658459429	/nfs/dbraw/zinc/45/94/29/658459429.db2.gz	SPKHOZUSGMHYJH-ZDUSSCGKSA-N	-1	0	313.317	0.352	20	30		DCEDRM
C=C(C)CN1CCO[C@@]2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)C1	ZINC000972343552	658597488	/nfs/dbraw/zinc/59/74/88/658597488.db2.gz	PDSHRLBXMBGKMJ-INIZCTEOSA-N	-1	0	320.393	0.917	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)c1cccc(N2CCCS2(=O)=O)c1	ZINC000048480478	661909967	/nfs/dbraw/zinc/90/99/67/661909967.db2.gz	CMNVIIGVGYSIQT-UHFFFAOYSA-N	-1	0	318.376	0.491	20	30		DCEDRM
C#CCNC(=O)CCn1cnc2c1nc(C(F)(F)F)[n-]c2=O	ZINC000899898314	663198274	/nfs/dbraw/zinc/19/82/74/663198274.db2.gz	FKYFOTPNZBFISX-UHFFFAOYSA-N	-1	0	313.239	0.690	20	30		DCEDRM
C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899925677	663201143	/nfs/dbraw/zinc/20/11/43/663201143.db2.gz	GCRXAOISMBNWPM-TUAOUCFPSA-N	-1	0	301.364	0.294	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](COC)[C@@H]1CCCOC1	ZINC000905593226	663568048	/nfs/dbraw/zinc/56/80/48/663568048.db2.gz	ZWCZCNYQURIDLW-VXGBXAGGSA-N	-1	0	300.355	0.710	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)CCOCC2CC2)C1	ZINC000906006962	663595244	/nfs/dbraw/zinc/59/52/44/663595244.db2.gz	NECWCNPHQGUANL-UHFFFAOYSA-N	-1	0	303.380	0.706	20	30		DCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c1	ZINC000906637143	663625849	/nfs/dbraw/zinc/62/58/49/663625849.db2.gz	PWSZGCAPUGDNJZ-OLZOCXBDSA-N	-1	0	300.314	0.976	20	30		DCEDRM
C=C1[C@H](C(=O)[N-]OCC(F)F)[C@@H]1C(=O)[N-]OCC(F)F	ZINC000907381109	663693642	/nfs/dbraw/zinc/69/36/42/663693642.db2.gz	HYJUDWHSTIIGQL-OCAPTIKFSA-N	-1	0	300.208	0.414	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000909861766	663815926	/nfs/dbraw/zinc/81/59/26/663815926.db2.gz	JKEXIWIDDTVQEU-QWRGUYRKSA-N	-1	0	306.322	0.178	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cn(CCc2ccccc2)nn1)C(=O)[O-]	ZINC000910047987	663840523	/nfs/dbraw/zinc/84/05/23/663840523.db2.gz	BIEAMQYYPJLIRV-CYBMUJFWSA-N	-1	0	312.329	0.727	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC000910269693	663862950	/nfs/dbraw/zinc/86/29/50/663862950.db2.gz	CPHPHWFDPBUKNQ-SCZZXKLOSA-N	-1	0	312.757	0.632	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC000910925642	663956584	/nfs/dbraw/zinc/95/65/84/663956584.db2.gz	MVFUHMKFWLXYDS-GHMZBOCLSA-N	-1	0	320.336	0.878	20	30		DCEDRM
C#C[C@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)C1CCOCC1	ZINC000911788249	664109622	/nfs/dbraw/zinc/10/96/22/664109622.db2.gz	CAMZMLWKUPKAKP-ZDUSSCGKSA-N	-1	0	319.361	0.906	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCC=C(Cl)C2)c(=O)[n-]c1=O	ZINC000911844890	664116621	/nfs/dbraw/zinc/11/66/21/664116621.db2.gz	VNCRUSGJMMYKNH-UHFFFAOYSA-N	-1	0	308.725	0.566	20	30		DCEDRM
C#CCN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CSC1	ZINC000912361556	664166018	/nfs/dbraw/zinc/16/60/18/664166018.db2.gz	IECYZURRWLSDSL-UHFFFAOYSA-N	-1	0	314.374	0.266	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F	ZINC000912450587	664177046	/nfs/dbraw/zinc/17/70/46/664177046.db2.gz	YRBHTJJGBPIWFZ-PWSUYJOCSA-N	-1	0	303.236	0.478	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)nnn2C	ZINC000171566503	664610244	/nfs/dbraw/zinc/61/02/44/664610244.db2.gz	AWRGNKNUQBCPHQ-JTQLQIEISA-N	-1	0	301.306	0.053	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccn1)[C@@H]1CCCO1	ZINC000914390419	664776774	/nfs/dbraw/zinc/77/67/74/664776774.db2.gz	BSUZRLYWXAITEJ-RYUDHWBXSA-N	-1	0	324.358	0.327	20	30		DCEDRM
N#Cc1nc(NC(=O)CCCN2C(=O)CCC2=O)[n-]c1C#N	ZINC000915641834	664935022	/nfs/dbraw/zinc/93/50/22/664935022.db2.gz	SWBSFITZKRRUSH-UHFFFAOYSA-N	-1	0	300.278	0.021	20	30		DCEDRM
CCOCCS(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000732507318	664940159	/nfs/dbraw/zinc/94/01/59/664940159.db2.gz	XSRSZHLGOCMZNB-UHFFFAOYSA-N	-1	0	312.347	0.420	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)nc1	ZINC000916868605	665098052	/nfs/dbraw/zinc/09/80/52/665098052.db2.gz	OSTIYXPNHRFNPW-LBPRGKRZSA-N	-1	0	305.334	0.955	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])cn1C	ZINC000916871497	665098068	/nfs/dbraw/zinc/09/80/68/665098068.db2.gz	WGTFXUJZWVCPOS-SNVBAGLBSA-N	-1	0	308.294	0.408	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc([S@](C)=O)cc1	ZINC000916875883	665098421	/nfs/dbraw/zinc/09/84/21/665098421.db2.gz	VYWTUFDKWIXAPO-XMHCIUCPSA-N	-1	0	322.386	0.899	20	30		DCEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccc1-n1cnnn1	ZINC000916952074	665105864	/nfs/dbraw/zinc/10/58/64/665105864.db2.gz	RPQKJOQNOSFHRZ-GFCCVEGCSA-N	-1	0	312.333	0.818	20	30		DCEDRM
N#CC(C(=O)NCc1ccccc1)=C([O-])c1c[nH]c(C(N)=O)c1	ZINC000917425344	665132505	/nfs/dbraw/zinc/13/25/05/665132505.db2.gz	XYZREIRQIRNSLN-LBPRGKRZSA-N	-1	0	310.313	0.752	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1	ZINC000733683946	666801052	/nfs/dbraw/zinc/80/10/52/666801052.db2.gz	ULYYEOVAJAKTQI-UHFFFAOYSA-N	-1	0	304.368	0.199	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1csnc1Cl	ZINC000861396881	666925090	/nfs/dbraw/zinc/92/50/90/666925090.db2.gz	CHAILCCQYRPWGY-UHFFFAOYSA-N	-1	0	308.768	0.641	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)NC2CC2)cc1	ZINC000788071976	667019882	/nfs/dbraw/zinc/01/98/82/667019882.db2.gz	RYBUPHJVEQNETI-UHFFFAOYSA-N	-1	0	320.370	0.662	20	30		DCEDRM
COc1cc(C(C)=NNC2=NCC(=O)N2)cc([N+](=O)[O-])c1[O-]	ZINC000863175825	667115678	/nfs/dbraw/zinc/11/56/78/667115678.db2.gz	URCQUWCFLKQYQG-UHFFFAOYSA-N	-1	0	307.266	0.108	20	30		DCEDRM
CCC(C)(C)NC(=S)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863210199	667117655	/nfs/dbraw/zinc/11/76/55/667117655.db2.gz	VBSYKSUXNAVTSF-UHFFFAOYSA-N	-1	0	321.406	0.740	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CC[C@@H](C(=O)[O-])[C@H](C)C2)nc1	ZINC000863734484	667173842	/nfs/dbraw/zinc/17/38/42/667173842.db2.gz	RLSMLOSODXNMOC-DGCLKSJQSA-N	-1	0	301.346	0.992	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000863749048	667174511	/nfs/dbraw/zinc/17/45/11/667174511.db2.gz	WGBLZMFSPKSPLB-STQMWFEESA-N	-1	0	304.346	0.041	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)C1CCCC1	ZINC000863746295	667174559	/nfs/dbraw/zinc/17/45/59/667174559.db2.gz	IXCZBNZDEMBZNC-JSGCOSHPSA-N	-1	0	320.389	0.960	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](OCC)[C@H]1CCOC1)C(=O)[O-]	ZINC000864145266	667219220	/nfs/dbraw/zinc/21/92/20/667219220.db2.gz	HKOORIWCLZFBCI-SRVKXCTJSA-N	-1	0	301.339	0.200	20	30		DCEDRM
Cn1ncc(C#N)c1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000866282198	667370216	/nfs/dbraw/zinc/37/02/16/667370216.db2.gz	FWXRNEGLWLGJHZ-LLVKDONJSA-N	-1	0	301.272	0.939	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001005917021	667461084	/nfs/dbraw/zinc/46/10/84/667461084.db2.gz	JSYSLHQUUGICFS-SFYZADRCSA-N	-1	0	305.338	0.160	20	30		DCEDRM
C=CCOCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC000868456597	667573922	/nfs/dbraw/zinc/57/39/22/667573922.db2.gz	ZJJYTMWEZMBRPW-NEPJUHHUSA-N	-1	0	307.350	0.639	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C(=O)CC)C2)CC1	ZINC000870833333	667765050	/nfs/dbraw/zinc/76/50/50/667765050.db2.gz	AVKBAKIUHCTCBG-JTQLQIEISA-N	-1	0	300.380	0.410	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](OC)C(=O)OC(C)(C)C)CC1	ZINC000870839795	667765321	/nfs/dbraw/zinc/76/53/21/667765321.db2.gz	WWVRCGXIRSCFKM-SECBINFHSA-N	-1	0	319.379	0.508	20	30		DCEDRM
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000744322112	667825194	/nfs/dbraw/zinc/82/51/94/667825194.db2.gz	KCVQILFAUSLPRA-UHFFFAOYSA-N	-1	0	300.238	0.205	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H]1CC(C)(C)CO1)C(=O)[O-]	ZINC000871647264	667841268	/nfs/dbraw/zinc/84/12/68/667841268.db2.gz	DETFKOJJJBIMTE-GHMZBOCLSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)C(=O)[O-]	ZINC000871649798	667841838	/nfs/dbraw/zinc/84/18/38/667841838.db2.gz	QGODVMBDNTZZTE-CYDGBPFRSA-N	-1	0	312.366	0.899	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)c2nnn(C)c2C)n1	ZINC000745169337	667842270	/nfs/dbraw/zinc/84/22/70/667842270.db2.gz	XRLQHNPXHKTYQH-SECBINFHSA-N	-1	0	319.346	0.922	20	30		DCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC	ZINC000871951989	667859493	/nfs/dbraw/zinc/85/94/93/667859493.db2.gz	WPKTXWYQDMIMSJ-JTQLQIEISA-N	-1	0	311.359	0.965	20	30		DCEDRM
C=CCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000872703261	667931155	/nfs/dbraw/zinc/93/11/55/667931155.db2.gz	CSSPDZUMAJTPCG-GARJFASQSA-N	-1	0	301.364	0.299	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)cc2)CC1	ZINC000753944584	668038550	/nfs/dbraw/zinc/03/85/50/668038550.db2.gz	ADCQZHYWKGCIRT-UHFFFAOYSA-N	-1	0	307.331	0.149	20	30		DCEDRM
CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000755580938	668062353	/nfs/dbraw/zinc/06/23/53/668062353.db2.gz	DPMUVTBZCFNOBI-ZDUSSCGKSA-N	-1	0	323.374	0.084	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)n1	ZINC000755981630	668075121	/nfs/dbraw/zinc/07/51/21/668075121.db2.gz	YMLACOGQYDLFDB-UHFFFAOYSA-N	-1	0	318.314	0.763	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nc(C)cc(C(F)(F)F)n1	ZINC000873526033	668089188	/nfs/dbraw/zinc/08/91/88/668089188.db2.gz	FRWWBQAJMWFWQL-UHFFFAOYSA-N	-1	0	321.280	0.887	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccon1)OCC	ZINC000756565460	668093370	/nfs/dbraw/zinc/09/33/70/668093370.db2.gz	IGXPUQZQVWFYDO-NSHDSACASA-N	-1	0	302.352	0.992	20	30		DCEDRM
C[S@](=O)CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000757890490	668150120	/nfs/dbraw/zinc/15/01/20/668150120.db2.gz	NMFHJTILIDGFCU-SFHVURJKSA-N	-1	0	308.331	0.493	20	30		DCEDRM
C#C[C@H](NC(=O)N1CC[C@](COC)(C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000874397715	668180465	/nfs/dbraw/zinc/18/04/65/668180465.db2.gz	APARMCHFQQGFDN-HUBLWGQQSA-N	-1	0	310.350	0.300	20	30		DCEDRM
O=C([O-])Cn1cc(C=CC(=O)c2ccc3[nH]c(=O)[nH]c3c2)nn1	ZINC000759077950	668205395	/nfs/dbraw/zinc/20/53/95/668205395.db2.gz	XEZAJEZJBSPVOK-RQOWECAXSA-N	-1	0	313.273	0.841	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1sc(COC)nc1C	ZINC000759204288	668210454	/nfs/dbraw/zinc/21/04/54/668210454.db2.gz	BPHSIWRVABJORJ-VIFPVBQESA-N	-1	0	311.363	0.683	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000759616558	668228594	/nfs/dbraw/zinc/22/85/94/668228594.db2.gz	WXFXTNUTUJOQIJ-UHFFFAOYSA-N	-1	0	316.364	0.105	20	30		DCEDRM
Cn1ccc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)n1	ZINC000760390106	668269868	/nfs/dbraw/zinc/26/98/68/668269868.db2.gz	PALIIHRSPOHHOE-UHFFFAOYSA-N	-1	0	324.406	0.883	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cncnc2)cc1	ZINC000761102204	668305131	/nfs/dbraw/zinc/30/51/31/668305131.db2.gz	WFVBTRKANOTTFR-UHFFFAOYSA-N	-1	0	302.315	0.608	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000763032529	668392682	/nfs/dbraw/zinc/39/26/82/668392682.db2.gz	ALQBQNXYHMFOMV-UHFFFAOYSA-N	-1	0	315.347	0.958	20	30		DCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000764205865	668439211	/nfs/dbraw/zinc/43/92/11/668439211.db2.gz	FHKRKQTVPVZNPD-SNVBAGLBSA-N	-1	0	312.347	0.683	20	30		DCEDRM
N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cc(=O)[nH][n-]3)n2)c1	ZINC000764811178	668462712	/nfs/dbraw/zinc/46/27/12/668462712.db2.gz	UDJWRQSVNCSNTC-UHFFFAOYSA-N	-1	0	308.301	0.440	20	30		DCEDRM
COC(=O)C1(C(=O)[N-]S(=O)(=O)c2cc(C#N)ccc2C)CC1	ZINC000766868412	668549279	/nfs/dbraw/zinc/54/92/79/668549279.db2.gz	RKZDGGHWQHNMGW-UHFFFAOYSA-N	-1	0	322.342	0.625	20	30		DCEDRM
Cc1cc(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)oc1C	ZINC000768174986	668601474	/nfs/dbraw/zinc/60/14/74/668601474.db2.gz	PKMLURJXASTDLR-NSHDSACASA-N	-1	0	324.358	0.476	20	30		DCEDRM
CS(=O)(=O)c1ccc(NN=Cc2cn(CC(=O)[O-])nn2)cc1	ZINC000768484998	668612049	/nfs/dbraw/zinc/61/20/49/668612049.db2.gz	YOIDEVHBCJFAOW-UHFFFAOYSA-N	-1	0	323.334	0.212	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2CCOCC2)c(F)c1	ZINC000770106877	668679240	/nfs/dbraw/zinc/67/92/40/668679240.db2.gz	PNTHWGXJCRIRBT-NSHDSACASA-N	-1	0	305.309	0.731	20	30		DCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)c2nccn2C)c1	ZINC000770731174	668709700	/nfs/dbraw/zinc/70/97/00/668709700.db2.gz	YZNGNKIKIGVMSO-GFCCVEGCSA-N	-1	0	310.313	0.985	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nnn(-c2ccccc2)c1C	ZINC000772712952	668782071	/nfs/dbraw/zinc/78/20/71/668782071.db2.gz	GMTGTBPUGZWAOJ-UHFFFAOYSA-N	-1	0	306.347	0.821	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000775238542	668859648	/nfs/dbraw/zinc/85/96/48/668859648.db2.gz	NNVIOBJMYMYAQF-UHFFFAOYSA-N	-1	0	311.363	0.717	20	30		DCEDRM
C#C[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@@H]1CCCO1	ZINC000775325700	668860457	/nfs/dbraw/zinc/86/04/57/668860457.db2.gz	CAQYHYRXKDHZBP-QWRGUYRKSA-N	-1	0	314.301	0.347	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccn(C(F)F)n1	ZINC000776140744	668871617	/nfs/dbraw/zinc/87/16/17/668871617.db2.gz	JHLUFBXHVAANCC-UHFFFAOYSA-N	-1	0	306.294	0.888	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CNC(=O)c1ccccc1	ZINC000776147518	668871769	/nfs/dbraw/zinc/87/17/69/668871769.db2.gz	ZFNZWTBWDVFHRZ-UHFFFAOYSA-N	-1	0	323.374	0.412	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NC[C@@H](CC1CCCC1)C(=O)[O-]	ZINC000776554613	668877515	/nfs/dbraw/zinc/87/75/15/668877515.db2.gz	HZKFUIAWAZTIGN-GFCCVEGCSA-N	-1	0	317.411	0.947	20	30		DCEDRM
O=C([O-])c1cc(C=NNC2CCS(=O)(=O)CC2)ccc1O	ZINC000777442015	668887392	/nfs/dbraw/zinc/88/73/92/668887392.db2.gz	BFHGNZKKNPOTFW-UHFFFAOYSA-N	-1	0	312.347	0.591	20	30		DCEDRM
COC(=O)Cc1cccc(C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000778706063	668902988	/nfs/dbraw/zinc/90/29/88/668902988.db2.gz	KYYNDVVJZORNIQ-UHFFFAOYSA-N	-1	0	324.358	0.765	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000778697459	668902996	/nfs/dbraw/zinc/90/29/96/668902996.db2.gz	UGOYHQHVENKYHE-VIFPVBQESA-N	-1	0	312.322	0.793	20	30		DCEDRM
COCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000779189527	668908334	/nfs/dbraw/zinc/90/83/34/668908334.db2.gz	OVDJZHFZQXMASK-UHFFFAOYSA-N	-1	0	308.359	0.931	20	30		DCEDRM
COCCOCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779315140	668909497	/nfs/dbraw/zinc/90/94/97/668909497.db2.gz	PSZKCDCMUGKNBC-UHFFFAOYSA-N	-1	0	318.395	0.569	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cnn(C)c1	ZINC000781526229	669048730	/nfs/dbraw/zinc/04/87/30/669048730.db2.gz	BAXOHEMLFKCISD-UHFFFAOYSA-N	-1	0	309.351	0.066	20	30		DCEDRM
Cn1nncc1S(=O)(=O)[N-]C(=O)/C=C\c1ccccc1C#N	ZINC000781737602	669059969	/nfs/dbraw/zinc/05/99/69/669059969.db2.gz	MZBVIJPPTMREEM-SREVYHEPSA-N	-1	0	317.330	0.205	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc(OCC)nc1	ZINC000781865529	669066682	/nfs/dbraw/zinc/06/66/82/669066682.db2.gz	VDGRQZJGPMQQCZ-UHFFFAOYSA-N	-1	0	300.336	0.488	20	30		DCEDRM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(CC(=O)NCCC#N)C1	ZINC000879762735	669104445	/nfs/dbraw/zinc/10/44/45/669104445.db2.gz	IYWGTLQGNSYFGS-LLVKDONJSA-N	-1	0	306.288	0.159	20	30		DCEDRM
COCCn1cc(C(=O)[N-]S(=O)(=O)CCCC#N)c(C)n1	ZINC000782631794	669113880	/nfs/dbraw/zinc/11/38/80/669113880.db2.gz	PLIAPWRWDJSHTC-UHFFFAOYSA-N	-1	0	314.367	0.201	20	30		DCEDRM
CCC[C@H](O)CC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783705595	669169587	/nfs/dbraw/zinc/16/95/87/669169587.db2.gz	BNGIQXRZIPBIRG-NSHDSACASA-N	-1	0	304.306	0.901	20	30		DCEDRM
C=C[C@@](C)(O)c1cn(CC(=O)[N-]OCc2ccccc2)nn1	ZINC000881052960	669290219	/nfs/dbraw/zinc/29/02/19/669290219.db2.gz	RIFKVPWDMHQHPH-OAHLLOKOSA-N	-1	0	302.334	0.920	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCCOCC2)CCC1	ZINC000786493314	669316096	/nfs/dbraw/zinc/31/60/96/669316096.db2.gz	JGPAPFJRQVNTSM-NSHDSACASA-N	-1	0	300.380	0.943	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(N)=O)C1	ZINC000786972803	669345474	/nfs/dbraw/zinc/34/54/74/669345474.db2.gz	FSRIRZKMDBVCNP-UWVGGRQHSA-N	-1	0	315.395	0.274	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccnn1CC(F)F	ZINC000789468341	669497357	/nfs/dbraw/zinc/49/73/57/669497357.db2.gz	FJJVUBLREHCMKF-UHFFFAOYSA-N	-1	0	320.321	0.758	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1csc(NC(C)=O)n1	ZINC000791108026	669594173	/nfs/dbraw/zinc/59/41/73/669594173.db2.gz	ODOWKAPHSRXJBZ-UHFFFAOYSA-N	-1	0	301.349	0.184	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CCSC[C@H]2C#N)cc1=O	ZINC000935238356	669698160	/nfs/dbraw/zinc/69/81/60/669698160.db2.gz	RLKMNIZBEDKQGW-GFCCVEGCSA-N	-1	0	308.407	0.842	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CN2CCc3ccccc32)CC1	ZINC000793194463	669706725	/nfs/dbraw/zinc/70/67/25/669706725.db2.gz	LOUCUXRTEAYPCU-UHFFFAOYSA-N	-1	0	319.386	0.799	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnn3c2CCCC3)CC1	ZINC000793202204	669707106	/nfs/dbraw/zinc/70/71/06/669707106.db2.gz	XJHVYNAQJILOHH-UHFFFAOYSA-N	-1	0	308.363	0.583	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CC2OCCCO2)CCC1	ZINC000793221466	669707926	/nfs/dbraw/zinc/70/79/26/669707926.db2.gz	ARYBPPQVWXLIFL-UHFFFAOYSA-N	-1	0	302.352	0.279	20	30		DCEDRM
Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)c2n1	ZINC000793211465	669708011	/nfs/dbraw/zinc/70/80/11/669708011.db2.gz	CNCJRDLORWDSAJ-UHFFFAOYSA-N	-1	0	319.346	0.401	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cn1c(=O)cnc2ccccc21	ZINC000132796662	669747387	/nfs/dbraw/zinc/74/73/87/669747387.db2.gz	SGZZMSZBDMSMLI-UHFFFAOYSA-N	-1	0	307.331	0.029	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1)C1CC1	ZINC000796609244	669937289	/nfs/dbraw/zinc/93/72/89/669937289.db2.gz	ZCYOZNCCAQOGDW-CYBMUJFWSA-N	-1	0	308.359	0.929	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)CC1OCCO1	ZINC000796724052	669941000	/nfs/dbraw/zinc/94/10/00/669941000.db2.gz	PUZSZBAPZNYHNO-UHFFFAOYSA-N	-1	0	310.331	0.267	20	30		DCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000797290660	669963552	/nfs/dbraw/zinc/96/35/52/669963552.db2.gz	KRUBWTIXKNYCGB-JTQLQIEISA-N	-1	0	324.358	0.303	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CC2OCCO2)CCCCC1	ZINC000797319747	669965708	/nfs/dbraw/zinc/96/57/08/669965708.db2.gz	CPGDWTIYJZUUJZ-UHFFFAOYSA-N	-1	0	316.379	0.669	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(C(=O)N(C)C)c1	ZINC000798202669	669992082	/nfs/dbraw/zinc/99/20/82/669992082.db2.gz	JLLQYFPAIGLLAH-UHFFFAOYSA-N	-1	0	308.359	0.471	20	30		DCEDRM
N#Cc1ccccc1C=CC(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC000798269445	669995911	/nfs/dbraw/zinc/99/59/11/669995911.db2.gz	BSIWPMPLWRDDQM-AATRIKPKSA-N	-1	0	324.344	0.595	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1c2ccccc2n(CC)c1=O	ZINC000191258670	669997738	/nfs/dbraw/zinc/99/77/38/669997738.db2.gz	KLWPDQSNBIHDSZ-UHFFFAOYSA-N	-1	0	317.345	0.922	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)CSc1n[n-]c(=S)s1	ZINC000799083377	670038190	/nfs/dbraw/zinc/03/81/90/670038190.db2.gz	BOWMBFHUGNSSIW-ZETCQYMHSA-N	-1	0	303.434	0.809	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1[O-]	ZINC000801292458	670122357	/nfs/dbraw/zinc/12/23/57/670122357.db2.gz	UUDOWQICQYKQHA-UHFFFAOYSA-N	-1	0	312.333	0.653	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)CCn1ccnn1	ZINC000802030762	670148313	/nfs/dbraw/zinc/14/83/13/670148313.db2.gz	QXYKQTJVDALTMP-UHFFFAOYSA-N	-1	0	319.346	0.186	20	30		DCEDRM
Cn1nnc2c1nccc2C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000802045916	670148767	/nfs/dbraw/zinc/14/87/67/670148767.db2.gz	UHGWKTQBGHJNON-LLVKDONJSA-N	-1	0	312.333	0.745	20	30		DCEDRM
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000802164207	670154929	/nfs/dbraw/zinc/15/49/29/670154929.db2.gz	WEGIHCBDOITMID-UWVGGRQHSA-N	-1	0	324.358	0.815	20	30		DCEDRM
C#Cc1cc(F)c(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c(F)c1	ZINC000802563901	670195273	/nfs/dbraw/zinc/19/52/73/670195273.db2.gz	MJFXODNNWNUTCA-UHFFFAOYSA-N	-1	0	321.243	0.025	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)c2n[n-]c3ccccc3c2=O)n1	ZINC000804622691	670302293	/nfs/dbraw/zinc/30/22/93/670302293.db2.gz	LQRNUHXYIOTFEA-UHFFFAOYSA-N	-1	0	309.289	0.229	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(S(=O)(=O)C(C)C)cc1	ZINC000193644457	670322112	/nfs/dbraw/zinc/32/21/12/670322112.db2.gz	JODDUDZNDIBKLK-GFCCVEGCSA-N	-1	0	308.359	0.937	20	30		DCEDRM
O=C(C#Cc1ccccc1)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000194304331	670422812	/nfs/dbraw/zinc/42/28/12/670422812.db2.gz	UWFKHKHBFRFIEL-UHFFFAOYSA-N	-1	0	305.297	0.946	20	30		DCEDRM
Cn1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)nn1	ZINC000809003860	670434992	/nfs/dbraw/zinc/43/49/92/670434992.db2.gz	YHFRMLBPTHSCJO-SNVBAGLBSA-N	-1	0	319.271	0.732	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000809032846	670438251	/nfs/dbraw/zinc/43/82/51/670438251.db2.gz	PWHGTLSCWSWXMP-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000810644436	670492314	/nfs/dbraw/zinc/49/23/14/670492314.db2.gz	ZHGITOFCWHWFKJ-LBPRGKRZSA-N	-1	0	307.371	0.693	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccoc1	ZINC000810773099	670496573	/nfs/dbraw/zinc/49/65/73/670496573.db2.gz	RLEMOELGLSAHCB-UHFFFAOYSA-N	-1	0	307.331	0.763	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)nc1	ZINC000810774597	670496939	/nfs/dbraw/zinc/49/69/39/670496939.db2.gz	KWJQRPFHXWOQIR-UHFFFAOYSA-N	-1	0	323.374	0.001	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc(-c2cnn(C)c2)s1	ZINC000810779490	670497435	/nfs/dbraw/zinc/49/74/35/670497435.db2.gz	PEUCIEBORWIGSF-UHFFFAOYSA-N	-1	0	324.387	0.627	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccoc1	ZINC000810780525	670497460	/nfs/dbraw/zinc/49/74/60/670497460.db2.gz	GUDSAQWONBYZQG-UHFFFAOYSA-N	-1	0	307.331	0.763	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)N1CCc2ccccc2C1	ZINC000810778346	670497482	/nfs/dbraw/zinc/49/74/82/670497482.db2.gz	UQZZTOWTZUHWAW-ZDUSSCGKSA-N	-1	0	320.414	0.903	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(C)nn2c1nc(C)cc2C	ZINC000810780016	670497521	/nfs/dbraw/zinc/49/75/21/670497521.db2.gz	KKWWMOHNORWWGW-UHFFFAOYSA-N	-1	0	320.374	0.737	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)C	ZINC000810779325	670497595	/nfs/dbraw/zinc/49/75/95/670497595.db2.gz	IFVVBQGANOOGFQ-LLVKDONJSA-N	-1	0	300.380	0.103	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CN1Cc2ccccc2C1=O	ZINC000810782467	670497660	/nfs/dbraw/zinc/49/76/60/670497660.db2.gz	NSWAJHVLHVKAMI-UHFFFAOYSA-N	-1	0	306.343	0.112	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(=O)OC)CC1	ZINC000810782003	670497820	/nfs/dbraw/zinc/49/78/20/670497820.db2.gz	FNUYFPWKHNXAIC-XYPYZODXSA-N	-1	0	301.364	0.435	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](CCCC)NC(=O)NCC	ZINC000810785578	670498115	/nfs/dbraw/zinc/49/81/15/670498115.db2.gz	MGGWOOXNMIRPRX-NSHDSACASA-N	-1	0	317.411	0.334	20	30		DCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000810831234	670498825	/nfs/dbraw/zinc/49/88/25/670498825.db2.gz	VNZITUVAKIKNQK-UHFFFAOYSA-N	-1	0	312.332	0.617	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC	ZINC000811136419	670508782	/nfs/dbraw/zinc/50/87/82/670508782.db2.gz	GSWLRWDMMLBAGO-UHFFFAOYSA-N	-1	0	303.380	0.825	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1scc2c1OCCO2	ZINC000847674686	670589285	/nfs/dbraw/zinc/58/92/85/670589285.db2.gz	IJCIYTKPIVPOGO-UHFFFAOYSA-N	-1	0	316.360	0.883	20	30		DCEDRM
CCn1c(=O)c2ccc(C(=O)N[C@@H](C#N)CO)cc2[n-]c1=S	ZINC000854872398	670648005	/nfs/dbraw/zinc/64/80/05/670648005.db2.gz	JUGHMGPJOBUUDK-VIFPVBQESA-N	-1	0	318.358	0.319	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000813950866	670664510	/nfs/dbraw/zinc/66/45/10/670664510.db2.gz	JWSAASUBTQTFCC-SNVBAGLBSA-N	-1	0	301.368	0.515	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1	ZINC000813945050	670664891	/nfs/dbraw/zinc/66/48/91/670664891.db2.gz	FFDRULCWHGLRSW-NSHDSACASA-N	-1	0	317.411	0.114	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)c1cnn(C)c1	ZINC000813981723	670667714	/nfs/dbraw/zinc/66/77/14/670667714.db2.gz	IHCWRIFSGPXKEK-SECBINFHSA-N	-1	0	319.346	0.295	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000813991058	670670459	/nfs/dbraw/zinc/67/04/59/670670459.db2.gz	UNHJKUGAIVLZEQ-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
Cc1cccc(NC(=S)NN=C2C(=O)[N-]C(=O)NC2=O)c1C	ZINC000814214048	670680921	/nfs/dbraw/zinc/68/09/21/670680921.db2.gz	OIBLQDFSQWQXKP-UHFFFAOYSA-N	-1	0	319.346	0.312	20	30		DCEDRM
COC(=O)Cn1cc(C=Nn2c(=O)[n-][nH]c2=O)c2ccccc21	ZINC000814232205	670681765	/nfs/dbraw/zinc/68/17/65/670681765.db2.gz	YCNOSLRUJQEIID-UHFFFAOYSA-N	-1	0	315.289	0.699	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cc(O)cc(Br)c1O	ZINC000814231021	670681959	/nfs/dbraw/zinc/68/19/59/670681959.db2.gz	HXFMNFBYSXDPCP-UHFFFAOYSA-N	-1	0	315.083	0.745	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C	ZINC000855606507	670734944	/nfs/dbraw/zinc/73/49/44/670734944.db2.gz	MLRZHEVJBHOAMG-NSHDSACASA-N	-1	0	300.355	0.986	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)[N-]OCCC2CC2)n(CCC#N)n1	ZINC000815794196	670763444	/nfs/dbraw/zinc/76/34/44/670763444.db2.gz	GXDNOPLQAJJLFR-UHFFFAOYSA-N	-1	0	305.338	0.892	20	30		DCEDRM
CCn1nc(C)c(C([O-])=C(C#N)C(=O)NCCCOC(C)C)n1	ZINC000815904494	670771240	/nfs/dbraw/zinc/77/12/40/670771240.db2.gz	HNIIPCVPUKUDRV-LBPRGKRZSA-N	-1	0	321.381	0.860	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ncc(C#N)cc1C	ZINC000815904956	670771268	/nfs/dbraw/zinc/77/12/68/670771268.db2.gz	URALCJCYTLBJJQ-LBPRGKRZSA-N	-1	0	300.318	0.737	20	30		DCEDRM
COC(=O)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)n1C	ZINC000815904695	670771682	/nfs/dbraw/zinc/77/16/82/670771682.db2.gz	NMKIFZVXALOHFE-JTQLQIEISA-N	-1	0	303.318	0.757	20	30		DCEDRM
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)c1	ZINC000815927419	670773387	/nfs/dbraw/zinc/77/33/87/670773387.db2.gz	DNAUCLYOXHKJRM-UHFFFAOYSA-N	-1	0	322.342	0.972	20	30		DCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000815962968	670775388	/nfs/dbraw/zinc/77/53/88/670775388.db2.gz	ILGCILZVRHQKPD-UHFFFAOYSA-N	-1	0	310.379	0.551	20	30		DCEDRM
CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000816015041	670779490	/nfs/dbraw/zinc/77/94/90/670779490.db2.gz	WNSLNAYCOANIPI-WDEREUQCSA-N	-1	0	300.380	0.941	20	30		DCEDRM
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000816023644	670780730	/nfs/dbraw/zinc/78/07/30/670780730.db2.gz	GBUXORATUFLEKB-IUCAKERBSA-N	-1	0	302.352	0.324	20	30		DCEDRM
CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000816095074	670786078	/nfs/dbraw/zinc/78/60/78/670786078.db2.gz	PAASNCYZMQFBJP-CHWSQXEVSA-N	-1	0	323.374	0.963	20	30		DCEDRM
C[C@@H]1C(=O)N(N=Cc2cccc(OCC(=O)[O-])c2)C(=O)N1C	ZINC000857216703	670897090	/nfs/dbraw/zinc/89/70/90/670897090.db2.gz	AKZNSXQBCKIWQY-SECBINFHSA-N	-1	0	305.290	0.766	20	30		DCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cccc2c1CCN(C)C2=O	ZINC000850466959	670916374	/nfs/dbraw/zinc/91/63/74/670916374.db2.gz	YXJOWAVDXVNBSV-UHFFFAOYSA-N	-1	0	303.318	0.487	20	30		DCEDRM
C#CCCCCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000850786791	670940135	/nfs/dbraw/zinc/94/01/35/670940135.db2.gz	WHXJIJHSHMKHPY-UHFFFAOYSA-N	-1	0	320.349	0.561	20	30		DCEDRM
COC(=O)N1CCC(C(=O)C(C#N)=C([O-])c2nccn2C)CC1	ZINC000850898527	670953577	/nfs/dbraw/zinc/95/35/77/670953577.db2.gz	IIXOOTIOCRGXDO-NSHDSACASA-N	-1	0	318.333	0.790	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21	ZINC000850913748	670954360	/nfs/dbraw/zinc/95/43/60/670954360.db2.gz	VHEHSLMMHQGHKG-GMTAPVOTSA-N	-1	0	300.380	0.313	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)ccc1C#N	ZINC000850939776	670956228	/nfs/dbraw/zinc/95/62/28/670956228.db2.gz	AFLNNMVRIJWSTD-UHFFFAOYSA-N	-1	0	319.342	0.930	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)[C@@H]1CCOC1	ZINC000850960809	670958233	/nfs/dbraw/zinc/95/82/33/670958233.db2.gz	MWUXTAZOAXQSBC-GHMZBOCLSA-N	-1	0	316.379	0.178	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnn1C1CCOCC1	ZINC000851000369	670960274	/nfs/dbraw/zinc/96/02/74/670960274.db2.gz	UBRPDJKTIOZHEF-UHFFFAOYSA-N	-1	0	311.363	0.318	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](n1cccn1)C(F)(F)F	ZINC000850999798	670960301	/nfs/dbraw/zinc/96/03/01/670960301.db2.gz	KMCAGXHWFDQFTP-SECBINFHSA-N	-1	0	323.296	0.846	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](OC)c1cccc(OC)c1	ZINC000851000104	670960415	/nfs/dbraw/zinc/96/04/15/670960415.db2.gz	OPKUWMXWBVVRAI-CYBMUJFWSA-N	-1	0	311.359	0.852	20	30		DCEDRM
Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)cc12	ZINC000851050343	670964398	/nfs/dbraw/zinc/96/43/98/670964398.db2.gz	WSMWCUSJUXWAAL-QMMMGPOBSA-N	-1	0	321.362	0.631	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000818657078	671041561	/nfs/dbraw/zinc/04/15/61/671041561.db2.gz	OWGGBNLVJLDLJQ-UHFFFAOYSA-N	-1	0	300.380	0.086	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])[C@@H]1CCCO1	ZINC000818657534	671042085	/nfs/dbraw/zinc/04/20/85/671042085.db2.gz	HHTPMOHGPOZBSV-AVGNSLFASA-N	-1	0	324.377	0.147	20	30		DCEDRM
C=CCc1ccc(OCC(=O)Nn2c(=O)[n-][nH]c2=O)c(OC)c1	ZINC000820283648	671188172	/nfs/dbraw/zinc/18/81/72/671188172.db2.gz	YEOKFOOCMGXXPO-UHFFFAOYSA-N	-1	0	320.305	0.576	20	30		DCEDRM
C=CCN(C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)[C@@H](C)COC	ZINC000852915236	671193835	/nfs/dbraw/zinc/19/38/35/671193835.db2.gz	BTLDXIHHHNXLSY-NHYWBVRUSA-N	-1	0	312.366	0.359	20	30		DCEDRM
N#CC1CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CC1	ZINC000852913821	671193872	/nfs/dbraw/zinc/19/38/72/671193872.db2.gz	HAVDJRYKVSVVAM-UHFFFAOYSA-N	-1	0	321.377	0.852	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC3(CCCC3)C2)c(=O)[n-]c1=O	ZINC000820385300	671196948	/nfs/dbraw/zinc/19/69/48/671196948.db2.gz	HKHQKVOBNZOABG-UHFFFAOYSA-N	-1	0	302.334	0.613	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)nn1	ZINC000820551418	671210026	/nfs/dbraw/zinc/21/00/26/671210026.db2.gz	WPVWDABQPZBENB-SNVBAGLBSA-N	-1	0	314.367	0.093	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc2c(c1)NC(=O)CN2C	ZINC000860471272	671211987	/nfs/dbraw/zinc/21/19/87/671211987.db2.gz	GJMIURGKJYBAID-JTQLQIEISA-N	-1	0	313.317	0.095	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)CCC1	ZINC000853206701	671219308	/nfs/dbraw/zinc/21/93/08/671219308.db2.gz	TZWLLKIELKWZEG-NSHDSACASA-N	-1	0	305.396	0.840	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccn(C2CCOCC2)n1	ZINC000860721298	671232819	/nfs/dbraw/zinc/23/28/19/671232819.db2.gz	CDMQHVBALNVTDA-UHFFFAOYSA-N	-1	0	311.363	0.318	20	30		DCEDRM
Cn1c([O-])c(C(=O)/C=C\c2ccccc2F)c(=O)n(C)c1=O	ZINC000821012986	671246113	/nfs/dbraw/zinc/24/61/13/671246113.db2.gz	SGDKKGXMUJLCKQ-FPLPWBNLSA-N	-1	0	304.277	0.825	20	30		DCEDRM
CCCc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)n[nH]1	ZINC000821138955	671256315	/nfs/dbraw/zinc/25/63/15/671256315.db2.gz	LRZUQMGVBPRBKV-UHFFFAOYSA-N	-1	0	312.297	0.389	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1	ZINC000821582693	671284503	/nfs/dbraw/zinc/28/45/03/671284503.db2.gz	VCDLUWKSTKZYSH-UHFFFAOYSA-N	-1	0	322.346	0.189	20	30		DCEDRM
C[C@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821584337	671284653	/nfs/dbraw/zinc/28/46/53/671284653.db2.gz	YZBHDPGHRGWTFO-QWRGUYRKSA-N	-1	0	304.368	0.320	20	30		DCEDRM
CC(=O)Nc1cc(C(=O)[N-]S(=O)(=O)CCC#N)ccc1F	ZINC000821584001	671284828	/nfs/dbraw/zinc/28/48/28/671284828.db2.gz	OFNCZQVEKIELIK-UHFFFAOYSA-N	-1	0	313.310	0.757	20	30		DCEDRM
C[C@@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821584336	671284838	/nfs/dbraw/zinc/28/48/38/671284838.db2.gz	YZBHDPGHRGWTFO-MNOVXSKESA-N	-1	0	304.368	0.320	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000824020978	671416779	/nfs/dbraw/zinc/41/67/79/671416779.db2.gz	FAYXNRARFTVQBV-NSHDSACASA-N	-1	0	300.318	0.082	20	30		DCEDRM
C[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000824936767	671444455	/nfs/dbraw/zinc/44/44/55/671444455.db2.gz	LUISREISRNLUSD-SECBINFHSA-N	-1	0	300.326	0.336	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O	ZINC000825136536	671450636	/nfs/dbraw/zinc/45/06/36/671450636.db2.gz	CXUPLUCTUJBBEA-NSHDSACASA-N	-1	0	310.350	0.248	20	30		DCEDRM
COCC#CCSc1nc(N)c(C#N)cc1-c1nn[nH]n1	ZINC000826147281	671481520	/nfs/dbraw/zinc/48/15/20/671481520.db2.gz	RVJUCKYVTARPKA-UHFFFAOYSA-N	-1	0	301.335	0.457	20	30		DCEDRM
COCC#CCN1CCN(c2ccccc2-c2nn[nH]n2)CC1	ZINC000826146807	671481536	/nfs/dbraw/zinc/48/15/36/671481536.db2.gz	DNEJEHLFWOWHKY-UHFFFAOYSA-N	-1	0	312.377	0.639	20	30		DCEDRM
C=CCCSCCNC(=O)C(=O)[N-]OC1CCOCC1	ZINC000829789572	671589604	/nfs/dbraw/zinc/58/96/04/671589604.db2.gz	BREFTFFDGYRVID-UHFFFAOYSA-N	-1	0	302.396	0.639	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21	ZINC000835123962	671788054	/nfs/dbraw/zinc/78/80/54/671788054.db2.gz	MSZUKYLZJHJCPK-GFCCVEGCSA-N	-1	0	322.386	0.839	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C[C@H]1COc2ccccc2O1	ZINC000835272694	671792276	/nfs/dbraw/zinc/79/22/76/671792276.db2.gz	CKGRCSPLZKOSNO-NSHDSACASA-N	-1	0	324.358	0.966	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc(O[C@@H]2CCOC2)cc1	ZINC000835408789	671795640	/nfs/dbraw/zinc/79/56/40/671795640.db2.gz	NVXLHEKVSNWQPM-CYBMUJFWSA-N	-1	0	324.358	0.828	20	30		DCEDRM
COc1ccc2c(c1)OC[C@H]2CC(=O)[N-]S(=O)(=O)CCC#N	ZINC000835411808	671795925	/nfs/dbraw/zinc/79/59/25/671795925.db2.gz	VFUFQQMAIJGZPZ-SNVBAGLBSA-N	-1	0	324.358	0.921	20	30		DCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ncn(C)c1Cl	ZINC000837291122	671854863	/nfs/dbraw/zinc/85/48/63/671854863.db2.gz	HNYFCOWILMSQSB-SSDOTTSWSA-N	-1	0	307.759	0.771	20	30		DCEDRM
C#CC[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)OC	ZINC000837949496	671888752	/nfs/dbraw/zinc/88/87/52/671888752.db2.gz	WYECKCOKGLLIAP-ZETCQYMHSA-N	-1	0	308.256	0.125	20	30		DCEDRM
C[C@H](CO)NN=C1C(=O)Nc2cc([O-])c(Br)cc21	ZINC000841629088	671946302	/nfs/dbraw/zinc/94/63/02/671946302.db2.gz	GSVZLUCBSWSYPF-RXMQYKEDSA-N	-1	0	314.139	0.781	20	30		DCEDRM
COc1ccc(C=NN2CCC[C@H]2CO)c(OCC(=O)[O-])c1	ZINC000841660402	671946561	/nfs/dbraw/zinc/94/65/61/671946561.db2.gz	LNEKONXOCHWRJT-LBPRGKRZSA-N	-1	0	308.334	0.949	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2CCOCC2)c(C)c1	ZINC000842688466	672028704	/nfs/dbraw/zinc/02/87/04/672028704.db2.gz	OHPFHWJFTOGDEK-ZDUSSCGKSA-N	-1	0	301.346	0.900	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)CSc2n[n-]c(=S)s2)C1	ZINC000844015890	672137661	/nfs/dbraw/zinc/13/76/61/672137661.db2.gz	ONMAKURMRSQTEX-SNVBAGLBSA-N	-1	0	316.433	0.796	20	30		DCEDRM
CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000844656697	672191736	/nfs/dbraw/zinc/19/17/36/672191736.db2.gz	IVSVFNPXXDNHTL-JTQLQIEISA-N	-1	0	314.367	0.765	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(OCC(=O)[O-])CC1	ZINC000844790657	672202928	/nfs/dbraw/zinc/20/29/28/672202928.db2.gz	AIMGVOWWMUQXHX-SNVBAGLBSA-N	-1	0	319.383	0.031	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)N2CCCCCC2)CC1	ZINC000844822306	672205152	/nfs/dbraw/zinc/20/51/52/672205152.db2.gz	VGVYOKGHUXQOPA-UHFFFAOYSA-N	-1	0	314.407	0.907	20	30		DCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)n1ccnc1	ZINC000845519134	672255000	/nfs/dbraw/zinc/25/50/00/672255000.db2.gz	JNJSVIVZSNKEMF-LLVKDONJSA-N	-1	0	310.379	0.974	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)N[C@H]1CCc2cc(C#N)ccc21	ZINC000845535469	672256924	/nfs/dbraw/zinc/25/69/24/672256924.db2.gz	LWBZNURXTSJZSM-ZDUSSCGKSA-N	-1	0	302.334	0.912	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)CC1(COC)CCC1)C(=O)OC	ZINC000845947273	672283981	/nfs/dbraw/zinc/28/39/81/672283981.db2.gz	XKYFJXYVDSWWKB-NSHDSACASA-N	-1	0	303.380	0.287	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1	ZINC000846543934	672326249	/nfs/dbraw/zinc/32/62/49/672326249.db2.gz	NJPYPLCIGXDHHF-RNCFNFMXSA-N	-1	0	320.324	0.868	20	30		DCEDRM
C=C(C)CO[N-]C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O	ZINC000846540084	672326546	/nfs/dbraw/zinc/32/65/46/672326546.db2.gz	LRIJDODVSBHZDJ-UHFFFAOYSA-N	-1	0	321.289	0.944	20	30		DCEDRM
CC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCO1	ZINC000813984486	685351659	/nfs/dbraw/zinc/35/16/59/685351659.db2.gz	SRVZLUFQTRVLNJ-NEPJUHHUSA-N	-1	0	323.374	0.963	20	30		DCEDRM
CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820029412	685353184	/nfs/dbraw/zinc/35/31/84/685353184.db2.gz	AKEHZZNVLPPSTJ-SDBXPKJASA-N	-1	0	313.310	0.157	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C2CCN(C(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC000953869518	685880257	/nfs/dbraw/zinc/88/02/57/685880257.db2.gz	UUXJHLBDUAIUJB-VIFPVBQESA-N	-1	0	319.365	0.646	20	30		DCEDRM
C=CCn1cccc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001038348907	694053176	/nfs/dbraw/zinc/05/31/76/694053176.db2.gz	DPFVSYBMFWERDQ-LLVKDONJSA-N	-1	0	316.365	0.502	20	30		DCEDRM
C=C(Cl)CN1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001007801555	690751696	/nfs/dbraw/zinc/75/16/96/690751696.db2.gz	SGPISKZMGYITHR-QMMMGPOBSA-N	-1	0	313.745	0.230	20	30		DCEDRM
CCCN(CCNC(=O)C#CC(C)(C)C)Cc1n[nH]c(=O)[n-]1	ZINC001691181195	1157607700	/nfs/dbraw/zinc/60/77/00/1157607700.db2.gz	QFNYLCPSEKSCDC-UHFFFAOYSA-N	-1	0	307.398	0.888	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1c[nH]nc1Cl)C(=O)OC	ZINC001670894112	1158620742	/nfs/dbraw/zinc/62/07/42/1158620742.db2.gz	QPRRVERUGFCRBT-ZETCQYMHSA-N	-1	0	307.759	0.849	20	30		DCEDRM
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001447056319	1159572956	/nfs/dbraw/zinc/57/29/56/1159572956.db2.gz	CULXHFRDGYNNBT-UHFFFAOYSA-N	-1	0	300.274	0.955	20	30		DCEDRM
CC(C)C#CC(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1	ZINC001567279844	1160294673	/nfs/dbraw/zinc/29/46/73/1160294673.db2.gz	LKYVGAFZEJGKPT-UHFFFAOYSA-N	-1	0	315.377	0.230	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001569904329	1161309560	/nfs/dbraw/zinc/30/95/60/1161309560.db2.gz	JIAVIKKDJCJUJK-NEPJUHHUSA-N	-1	0	321.381	0.278	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001573379533	1163420697	/nfs/dbraw/zinc/42/06/97/1163420697.db2.gz	MHANWABTQBMHEN-MNOVXSKESA-N	-1	0	313.354	0.000	20	30		DCEDRM
C[C@H](NC(=O)c1ncc(C#N)cc1Cl)c1nc(C(=O)[O-])n[nH]1	ZINC001573571667	1163505369	/nfs/dbraw/zinc/50/53/69/1163505369.db2.gz	LAAOUIAHRAAQCX-YFKPBYRVSA-N	-1	0	320.696	0.914	20	30		DCEDRM
C[C@H](NC(=O)c1ccccc1OCC#N)c1nc(C(=O)[O-])n[nH]1	ZINC001573571848	1163507181	/nfs/dbraw/zinc/50/71/81/1163507181.db2.gz	MRARLOWTIRACMJ-QMMMGPOBSA-N	-1	0	315.289	0.896	20	30		DCEDRM
C[C@]1(C(=O)[O-])CN(S(=O)(=O)c2ccc(C#N)o2)CCO1	ZINC001573606853	1163516066	/nfs/dbraw/zinc/51/60/66/1163516066.db2.gz	ZBHYEWBIELZCMN-LLVKDONJSA-N	-1	0	300.292	0.015	20	30		DCEDRM
CCn1cc(C#N)c(NC(=O)[C@H](C)n2cncn2)c1C(=O)[O-]	ZINC001573844740	1163565036	/nfs/dbraw/zinc/56/50/36/1163565036.db2.gz	MUSZNZUGOSJCIH-QMMMGPOBSA-N	-1	0	302.294	0.869	20	30		DCEDRM
COc1cc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)ccc1C#N	ZINC001574012652	1163624113	/nfs/dbraw/zinc/62/41/13/1163624113.db2.gz	NZSMVNRHFWQJDH-NWDGAFQWSA-N	-1	0	319.317	0.267	20	30		DCEDRM
Cc1cc(NC(=O)N2CC([C@@H](F)C(=O)[O-])C2)nn1CCC#N	ZINC001574141040	1163645828	/nfs/dbraw/zinc/64/58/28/1163645828.db2.gz	GFLCWYGPIBSYOU-LLVKDONJSA-N	-1	0	309.301	0.992	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NCc2cc(C(=O)[O-])no2)CCN1C1CC1	ZINC001574241786	1163672041	/nfs/dbraw/zinc/67/20/41/1163672041.db2.gz	PXCPZFMOMIWBHP-SNVBAGLBSA-N	-1	0	319.321	0.255	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)co1	ZINC001574240821	1163672225	/nfs/dbraw/zinc/67/22/25/1163672225.db2.gz	BTJBFBSCOOXNFE-NEPJUHHUSA-N	-1	0	301.258	0.463	20	30		DCEDRM
N#C[C@]1(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])CCCOC1	ZINC001574240975	1163672480	/nfs/dbraw/zinc/67/24/80/1163672480.db2.gz	CVJMGXOZPZOZJD-SWLSCSKDSA-N	-1	0	303.318	0.514	20	30		DCEDRM
N#Cc1ccc(CC(=O)NC[C@]2(C(=O)[O-])CCCOC2)cn1	ZINC001574245343	1163673299	/nfs/dbraw/zinc/67/32/99/1163673299.db2.gz	MQHBLQJPWMBGBU-OAHLLOKOSA-N	-1	0	303.318	0.493	20	30		DCEDRM
N#Cc1cn(CC2=C(C(=O)[O-])[C@@H](c3ccco3)NC(=O)N2)nn1	ZINC001574248490	1163673404	/nfs/dbraw/zinc/67/34/04/1163673404.db2.gz	JMEJVDOKHAUMPB-LLVKDONJSA-N	-1	0	314.261	0.136	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCOCc1cn[nH]n1	ZINC001577256164	1164652173	/nfs/dbraw/zinc/65/21/73/1164652173.db2.gz	IELVQGHIDBURHX-UHFFFAOYSA-N	-1	0	302.294	0.032	20	30		DCEDRM
CCOC[C@@H]1CCCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001578374744	1164989983	/nfs/dbraw/zinc/98/99/83/1164989983.db2.gz	QUAOIQGCWDKPFB-JTQLQIEISA-N	-1	0	314.353	0.924	20	30		DCEDRM
CN(CC(=O)OC(C)(C)C)c1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001579011176	1165187997	/nfs/dbraw/zinc/18/79/97/1165187997.db2.gz	WLRQXSUSALWNAA-UHFFFAOYSA-N	-1	0	316.325	0.306	20	30		DCEDRM
COC1CCC(N(C)c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001579613109	1165360230	/nfs/dbraw/zinc/36/02/30/1165360230.db2.gz	LIZKDQUOFBOCJJ-UHFFFAOYSA-N	-1	0	314.353	0.922	20	30		DCEDRM
CSc1[nH]c(=O)c(C(=O)N(C)[C@H](C)C#N)cc1-c1nnn[n-]1	ZINC001580230539	1165542583	/nfs/dbraw/zinc/54/25/83/1165542583.db2.gz	BPNOXBVHIGAGFB-ZCFIWIBFSA-N	-1	0	319.350	0.673	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCC1(C#N)CCC1	ZINC001580602891	1165653369	/nfs/dbraw/zinc/65/33/69/1165653369.db2.gz	ICHZIFLCMNOPEG-UHFFFAOYSA-N	-1	0	313.321	0.699	20	30		DCEDRM
Cc1cc(Oc2cnc(-c3nnn[n-]3)c(C#N)n2)ccc1C(N)=O	ZINC001581044201	1165780476	/nfs/dbraw/zinc/78/04/76/1165780476.db2.gz	PZRSUPVYJCVIKN-UHFFFAOYSA-N	-1	0	322.288	0.728	20	30		DCEDRM
N#Cc1ccc(F)c(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)c1	ZINC001581871978	1165896583	/nfs/dbraw/zinc/89/65/83/1165896583.db2.gz	DJQLAQBKOIRRGD-UHFFFAOYSA-N	-1	0	313.252	0.188	20	30		DCEDRM
CCC[C@@H](C#N)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001583889211	1166291655	/nfs/dbraw/zinc/29/16/55/1166291655.db2.gz	WJLJJYKLTIOSGQ-NSHDSACASA-N	-1	0	314.349	0.995	20	30		DCEDRM
C#C[C@H](NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C)C(C)C	ZINC001588330019	1166527808	/nfs/dbraw/zinc/52/78/08/1166527808.db2.gz	SQZXQAFMYWLPPW-JTQLQIEISA-N	-1	0	300.322	0.663	20	30		DCEDRM
C#CCCCS(=O)(=O)[N-]c1cc(C)c(-c2nn[nH]n2)cn1	ZINC001588345824	1166534542	/nfs/dbraw/zinc/53/45/42/1166534542.db2.gz	SDUQNKBONZKGRZ-UHFFFAOYSA-N	-1	0	306.351	0.725	20	30		DCEDRM
C#Cc1ccc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)cc1	ZINC001588373175	1166550105	/nfs/dbraw/zinc/55/01/05/1166550105.db2.gz	DEAPLBNCTJADFQ-SECBINFHSA-N	-1	0	308.305	0.639	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)[O-]	ZINC001588414606	1166552358	/nfs/dbraw/zinc/55/23/58/1166552358.db2.gz	OTODPTFLKAMBLQ-ZDUSSCGKSA-N	-1	0	323.312	0.532	20	30		DCEDRM
C=CCCC(=O)N(C)CCN(C)c1ccnc(-c2nnn[n-]2)n1	ZINC001588562666	1166561939	/nfs/dbraw/zinc/56/19/39/1166561939.db2.gz	RMMVDIKSYDJBLC-UHFFFAOYSA-N	-1	0	316.369	0.518	20	30		DCEDRM
C=CCONC(=O)c1ccn(-c2cccc(-c3nn[nH]n3)c2)n1	ZINC001588689628	1166581336	/nfs/dbraw/zinc/58/13/36/1166581336.db2.gz	OSAYNUXHVOFKJH-UHFFFAOYSA-N	-1	0	311.305	0.900	20	30		DCEDRM
C=CCn1cc(C(=O)NCc2cccc(-c3nn[nH]n3)c2)nn1	ZINC001588713460	1166582313	/nfs/dbraw/zinc/58/23/13/1166582313.db2.gz	LVBIHVITAWCECV-UHFFFAOYSA-N	-1	0	310.321	0.574	20	30		DCEDRM
CC(C)c1nc(-c2nnn[n-]2)c(N=NC2COCCOC2)o1	ZINC001589773471	1166686293	/nfs/dbraw/zinc/68/62/93/1166686293.db2.gz	DBVSNSWOABHTQB-UHFFFAOYSA-N	-1	0	307.314	0.793	20	30		DCEDRM
C[C@@H](Oc1ccccc1)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001590029699	1166756885	/nfs/dbraw/zinc/75/68/85/1166756885.db2.gz	YDHVRRUPKGDISP-MRVPVSSYSA-N	-1	0	324.304	0.867	20	30		DCEDRM
C[C@@H]1CCC[C@@]1(O)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590247963	1166827776	/nfs/dbraw/zinc/82/77/76/1166827776.db2.gz	MQFUZCBEHVUKMX-AMIZOPFISA-N	-1	0	300.326	0.491	20	30		DCEDRM
C[C@H]1COCC[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001590325913	1166867896	/nfs/dbraw/zinc/86/78/96/1166867896.db2.gz	VNEGJVWSBZVAHS-BQBZGAKWSA-N	-1	0	302.298	0.073	20	30		DCEDRM
CC[C@H]1CO[C@H](C)CN1c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590522774	1166933810	/nfs/dbraw/zinc/93/38/10/1166933810.db2.gz	HGCNMHZSUJJIHT-BDAKNGLRSA-N	-1	0	300.326	0.532	20	30		DCEDRM
CCOC(=O)[C@@H]1C[C@H]1Cn1c(C)nc(-c2nnn[n-]2)c1C#N	ZINC001590771022	1167015870	/nfs/dbraw/zinc/01/58/70/1167015870.db2.gz	USKLFYXTINHBQO-DTWKUNHWSA-N	-1	0	301.310	0.443	20	30		DCEDRM
CN(C)c1cc(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)ccn1	ZINC001591028759	1167086487	/nfs/dbraw/zinc/08/64/87/1167086487.db2.gz	JHBAQJUEHUROLN-UHFFFAOYSA-N	-1	0	310.325	0.026	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(-c2nn[nH]n2)cc(N(C)C)c1	ZINC001591198546	1167148457	/nfs/dbraw/zinc/14/84/57/1167148457.db2.gz	XYANXCVVADGSHT-NSHDSACASA-N	-1	0	313.321	0.001	20	30		DCEDRM
COCCC1(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)CC1	ZINC001591401501	1167268850	/nfs/dbraw/zinc/26/88/50/1167268850.db2.gz	YPSNBNLHAHNDGF-UHFFFAOYSA-N	-1	0	300.326	0.757	20	30		DCEDRM
Cc1c(-c2nnn[n-]2)c(=O)n(CCCC(C)(C)C#N)c(=O)n1C	ZINC001591793773	1167380289	/nfs/dbraw/zinc/38/02/89/1167380289.db2.gz	IHMRJQGHXCVEGN-UHFFFAOYSA-N	-1	0	317.353	0.366	20	30		DCEDRM
Cc1cc(C)n(N=Cc2nccs2)c(=O)c1-c1nnn[n-]1	ZINC001591957394	1167425308	/nfs/dbraw/zinc/42/53/08/1167425308.db2.gz	XMAROMFSKCSYDX-UHFFFAOYSA-N	-1	0	301.335	0.984	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2ncc(Cl)n2C)o1	ZINC001592338523	1167493340	/nfs/dbraw/zinc/49/33/40/1167493340.db2.gz	FCPADEXGONBEBY-UHFFFAOYSA-N	-1	0	307.705	0.996	20	30		DCEDRM
Cn1c(=O)[nH]c(NCC(C)(C)CC#N)c(-c2nnn[n-]2)c1=O	ZINC001592546937	1167552304	/nfs/dbraw/zinc/55/23/04/1167552304.db2.gz	XJIJTTVLGIJZLM-UHFFFAOYSA-N	-1	0	304.314	0.018	20	30		DCEDRM
N#CC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CCC1	ZINC001592669374	1167591694	/nfs/dbraw/zinc/59/16/94/1167591694.db2.gz	HFODYXQNIIKAKS-UHFFFAOYSA-N	-1	0	308.323	0.432	20	30		DCEDRM
N#Cc1cccc([N+](=O)[O-])c1Cn1cccc(-c2nnn[n-]2)c1=O	ZINC001592703304	1167604176	/nfs/dbraw/zinc/60/41/76/1167604176.db2.gz	NDKJDKFRCPZOBT-UHFFFAOYSA-N	-1	0	323.272	0.857	20	30		DCEDRM
N#Cc1nc(Sc2nnc3ccccn32)cnc1-c1nnn[n-]1	ZINC001592708457	1167607197	/nfs/dbraw/zinc/60/71/97/1167607197.db2.gz	RSKRHHCMSVJNRE-UHFFFAOYSA-N	-1	0	322.317	0.722	20	30		DCEDRM
N#Cc1ncc(NC[C@H](O)Cc2ccccc2)nc1-c1nnn[n-]1	ZINC001592710631	1167609353	/nfs/dbraw/zinc/60/93/53/1167609353.db2.gz	RWDOABQVFZCICI-LLVKDONJSA-N	-1	0	322.332	0.544	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC001597183182	1168002303	/nfs/dbraw/zinc/00/23/03/1168002303.db2.gz	QQJZURTVGBZCOH-RQJHMYQMSA-N	-1	0	318.380	0.439	20	30		DCEDRM
COC(=O)C1(NC(=O)c2c[nH]c(C#N)c2)CCC(C(=O)[O-])CC1	ZINC001598723783	1168027735	/nfs/dbraw/zinc/02/77/35/1168027735.db2.gz	LYBSZAXRCGZPOV-UHFFFAOYSA-N	-1	0	319.317	0.803	20	30		DCEDRM
COC(=O)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H](C(=O)[O-])C1	ZINC001598798831	1168043060	/nfs/dbraw/zinc/04/30/60/1168043060.db2.gz	RKOYWCRLTVOPTM-GZMMTYOYSA-N	-1	0	305.290	0.365	20	30		DCEDRM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)O[C@H]2CNOC2)c1C	ZINC001600115380	1168121813	/nfs/dbraw/zinc/12/18/13/1168121813.db2.gz	WTEVPTSYAYLMFF-JTQLQIEISA-N	-1	0	301.320	0.610	20	30		DCEDRM
Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N(C)CCC#N	ZINC001600289089	1168156585	/nfs/dbraw/zinc/15/65/85/1168156585.db2.gz	GKHRBCWSKYZRSN-UHFFFAOYSA-N	-1	0	319.317	0.769	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC001600510000	1168193731	/nfs/dbraw/zinc/19/37/31/1168193731.db2.gz	DLLCPRHPCHFDCQ-UHFFFAOYSA-N	-1	0	324.358	0.467	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001600510737	1168194061	/nfs/dbraw/zinc/19/40/61/1168194061.db2.gz	LJWMAERADKBCFP-VXGBXAGGSA-N	-1	0	324.358	0.635	20	30		DCEDRM
Cc1nc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)ccc1C#N	ZINC001600681898	1168246563	/nfs/dbraw/zinc/24/65/63/1168246563.db2.gz	AUWYWLVATONASN-CYBMUJFWSA-N	-1	0	303.318	0.559	20	30		DCEDRM
Cc1onc(CC(=O)NCCc2ncc(C(=O)[O-])s2)c1C#N	ZINC001600864673	1168492285	/nfs/dbraw/zinc/49/22/85/1168492285.db2.gz	SWQIIHAJSGBYHT-UHFFFAOYSA-N	-1	0	320.330	0.911	20	30		DCEDRM
Cn1ncc(Br)c1CC(=O)N(CC#N)CC(=O)[O-]	ZINC001601019754	1168566706	/nfs/dbraw/zinc/56/67/06/1168566706.db2.gz	OREDTAGYICZTJS-UHFFFAOYSA-N	-1	0	315.127	0.162	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)CC1	ZINC001601051290	1168577551	/nfs/dbraw/zinc/57/75/51/1168577551.db2.gz	JRFSOPJYJQIABM-RYUDHWBXSA-N	-1	0	307.350	0.954	20	30		DCEDRM
N#C[C@]1(C(=O)NCCC(=O)NCCC(=O)[O-])CC12CCCC2	ZINC001601050117	1168577567	/nfs/dbraw/zinc/57/75/67/1168577567.db2.gz	DCJNWNKRYJELCV-HNNXBMFYSA-N	-1	0	307.350	0.558	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2CCC[C@H](C(N)=O)C2)CC1	ZINC001601049724	1168577880	/nfs/dbraw/zinc/57/78/80/1168577880.db2.gz	UWBVEEXSCGWHGI-QWRGUYRKSA-N	-1	0	307.350	0.495	20	30		DCEDRM
N#CC[C@H](NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)C(F)(F)F	ZINC001601062081	1168578832	/nfs/dbraw/zinc/57/88/32/1168578832.db2.gz	MERFVQIPAAYRRJ-RNJXMRFFSA-N	-1	0	309.244	0.308	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)CCO1	ZINC001601061429	1168579143	/nfs/dbraw/zinc/57/91/43/1168579143.db2.gz	ZUKAKODAEFSYSH-DVOMOZLQSA-N	-1	0	300.314	0.996	20	30		DCEDRM
N#CC[C@H](N1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O)C(F)(F)F	ZINC001601061299	1168579420	/nfs/dbraw/zinc/57/94/20/1168579420.db2.gz	CAZPVPQJAVDOQL-RNJXMRFFSA-N	-1	0	319.239	0.958	20	30		DCEDRM
N#CCC1(O)CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC001601062737	1168579988	/nfs/dbraw/zinc/57/99/88/1168579988.db2.gz	MGHNYRTXCPCNAL-UHFFFAOYSA-N	-1	0	305.246	0.394	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(OC(F)F)c1	ZINC001601072166	1168581254	/nfs/dbraw/zinc/58/12/54/1168581254.db2.gz	KOSBLBJSBVXDBG-UHFFFAOYSA-N	-1	0	320.273	0.887	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC001601072782	1168581594	/nfs/dbraw/zinc/58/15/94/1168581594.db2.gz	XHXPGSKWLVHDEG-UHFFFAOYSA-N	-1	0	305.293	0.255	20	30		DCEDRM
N#CCN1CCc2c(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])cccc2C1	ZINC001601074898	1168582314	/nfs/dbraw/zinc/58/23/14/1168582314.db2.gz	WAKWNBGVULVMAF-GJZGRUSLSA-N	-1	0	313.357	0.905	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1	ZINC001601078950	1168583172	/nfs/dbraw/zinc/58/31/72/1168583172.db2.gz	AKMFLEPNCIQEAT-IMSIIYSGSA-N	-1	0	306.322	0.694	20	30		DCEDRM
N#Cc1cc(C(=O)NCCOCC(=O)[O-])cnc1C(F)(F)F	ZINC001601086116	1168583340	/nfs/dbraw/zinc/58/33/40/1168583340.db2.gz	XVLMHBLXVICOSL-UHFFFAOYSA-N	-1	0	317.223	0.803	20	30		DCEDRM
N#Cc1ccc(CNC(=O)CN2CCSC[C@H]2C(=O)[O-])cc1	ZINC001601100480	1168585207	/nfs/dbraw/zinc/58/52/07/1168585207.db2.gz	NDWDZSVPEFRLOB-ZDUSSCGKSA-N	-1	0	319.386	0.676	20	30		DCEDRM
N#Cc1ccc(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cc1F	ZINC001601101309	1168585578	/nfs/dbraw/zinc/58/55/78/1168585578.db2.gz	JBBJSTPVRMOAEF-DGCLKSJQSA-N	-1	0	321.308	0.986	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC001601103289	1168585664	/nfs/dbraw/zinc/58/56/64/1168585664.db2.gz	LGPNOKKIWWWJQB-CHWSQXEVSA-N	-1	0	324.358	0.467	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])cc1	ZINC001601106770	1168586190	/nfs/dbraw/zinc/58/61/90/1168586190.db2.gz	BXJVESXNDAGQRD-NWDGAFQWSA-N	-1	0	301.302	0.866	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)C2	ZINC001601114529	1168587612	/nfs/dbraw/zinc/58/76/12/1168587612.db2.gz	UQIVPQMBXIXKQA-CYBMUJFWSA-N	-1	0	320.370	0.810	20	30		DCEDRM
N#Cc1ccccc1C(F)(F)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001601124806	1168588428	/nfs/dbraw/zinc/58/84/28/1168588428.db2.gz	ZVHYIMDLBMNIOF-WDEREUQCSA-N	-1	0	324.283	0.944	20	30		DCEDRM
N#Cc1nccc(N2CCCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1	ZINC001601134654	1168592778	/nfs/dbraw/zinc/59/27/78/1168592778.db2.gz	WFTGFUFZXPBZGM-MNOVXSKESA-N	-1	0	315.333	0.108	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)NCc2ccc(C(=O)[O-])s2)n1	ZINC001601136532	1168594455	/nfs/dbraw/zinc/59/44/55/1168594455.db2.gz	SERKIINVCPZUPO-UHFFFAOYSA-N	-1	0	320.334	0.409	20	30		DCEDRM
O=C([O-])[C@@H](CO)NC(=O)C#Cc1ccc(C(F)(F)F)cc1	ZINC001601224405	1168666525	/nfs/dbraw/zinc/66/65/25/1168666525.db2.gz	UNRCAIQTWDGBFL-SNVBAGLBSA-N	-1	0	301.220	0.619	20	30		DCEDRM
O=C(C#CC1CC1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001601224655	1168666459	/nfs/dbraw/zinc/66/64/59/1168666459.db2.gz	YSVFGISQSDSFQX-YVECIDJPSA-N	-1	0	304.346	0.132	20	30		DCEDRM
O=C([O-])c1nccc(N2CC[C@H](CNC(=O)C#CC3CC3)C2)n1	ZINC001601224540	1168666612	/nfs/dbraw/zinc/66/66/12/1168666612.db2.gz	VQTVOYJEMMLSJN-GFCCVEGCSA-N	-1	0	314.345	0.531	20	30		DCEDRM
O=C([O-])[C@H]1COCCN1C(=O)C(=O)/C=C\c1ccc(F)cc1	ZINC001601238976	1168672973	/nfs/dbraw/zinc/67/29/73/1168672973.db2.gz	PYXNWPRFOILURA-GCLPIYDQSA-N	-1	0	307.277	0.720	20	30		DCEDRM
O=C([O-])c1ccc(NC(=O)NCC#C[C@@H]2CCCCO2)nn1	ZINC001601448640	1168751209	/nfs/dbraw/zinc/75/12/09/1168751209.db2.gz	SMYVTTLRZNOKJY-JTQLQIEISA-N	-1	0	304.306	0.869	20	30		DCEDRM
O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1	ZINC001601776055	1168874199	/nfs/dbraw/zinc/87/41/99/1168874199.db2.gz	RHVDNJADFSFHER-RQJABVFESA-N	-1	0	316.357	0.322	20	30		DCEDRM
O=C([O-])C[C@]1(NC(=O)c2cccc(C#CCO)c2)CCCOC1	ZINC001601931396	1168938181	/nfs/dbraw/zinc/93/81/81/1168938181.db2.gz	LNWYGESNWVIKAH-QGZVFWFLSA-N	-1	0	317.341	0.784	20	30		DCEDRM
O=C([O-])Cn1cc(CN2CCC3(CC2)CC(=O)C=CO3)nn1	ZINC001602163050	1169010250	/nfs/dbraw/zinc/01/02/50/1169010250.db2.gz	UHGIPIYXQPQVLO-UHFFFAOYSA-N	-1	0	306.322	0.200	20	30		DCEDRM
O=C([O-])c1cn([C@H]2CCN(C(=O)C#Cc3ccccc3)C2)nn1	ZINC001602494443	1169093694	/nfs/dbraw/zinc/09/36/94/1169093694.db2.gz	VEUVODKFGRLLGA-ZDUSSCGKSA-N	-1	0	310.313	0.801	20	30		DCEDRM
O=C([O-])[C@]1(C(=O)N[C@@H]2CCN(O)C2=O)C[C@@H]1c1ccccc1	ZINC001602630695	1169135575	/nfs/dbraw/zinc/13/55/75/1169135575.db2.gz	ALVKONJPKJTRML-UEKVPHQBSA-N	-1	0	304.302	0.351	20	30		DCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC001602670380	1169155906	/nfs/dbraw/zinc/15/59/06/1169155906.db2.gz	UMHZHZOEJMQYLP-MRVPVSSYSA-N	-1	0	320.301	0.478	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])[C@H]1CCCO1	ZINC001602678420	1169157126	/nfs/dbraw/zinc/15/71/26/1169157126.db2.gz	MWOYWESBWJPAOF-VXGBXAGGSA-N	-1	0	309.343	0.844	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)[C@@H]1CCCO1	ZINC001602678727	1169157452	/nfs/dbraw/zinc/15/74/52/1169157452.db2.gz	PNGDZEKATVMIDE-MNOVXSKESA-N	-1	0	301.364	0.342	20	30		DCEDRM
C#CC[C@@H](NC(=O)C1(c2cc(C)no2)CCOCC1)C(=O)[O-]	ZINC001602684920	1169158333	/nfs/dbraw/zinc/15/83/33/1169158333.db2.gz	JYDZCDATNXDBLE-LLVKDONJSA-N	-1	0	306.318	0.624	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1ccc(OC)cc1C(=O)[O-]	ZINC001602684117	1169158662	/nfs/dbraw/zinc/15/86/62/1169158662.db2.gz	XMKIAZFDYKYPCU-SECBINFHSA-N	-1	0	313.331	0.056	20	30		DCEDRM
C#CC[C@H](NC(=O)CCc1c(C)nc2ncnn2c1C)C(=O)[O-]	ZINC001602687462	1169158808	/nfs/dbraw/zinc/15/88/08/1169158808.db2.gz	OVGKFMRIYSLSBA-LBPRGKRZSA-N	-1	0	315.333	0.266	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCn1cnc2sccc2c1=O)C(=O)[O-]	ZINC001602687805	1169161171	/nfs/dbraw/zinc/16/11/71/1169161171.db2.gz	WHIDAAXOYPBMQT-SNVBAGLBSA-N	-1	0	319.342	0.441	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-]	ZINC001602693190	1169162952	/nfs/dbraw/zinc/16/29/52/1169162952.db2.gz	KFPCSLLGENJWTB-SNVBAGLBSA-N	-1	0	313.306	0.436	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC001602701667	1169165659	/nfs/dbraw/zinc/16/56/59/1169165659.db2.gz	SAMPJZFUVOINEC-QMMMGPOBSA-N	-1	0	310.331	0.275	20	30		DCEDRM
C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)CC(=O)[O-])n1	ZINC001602738297	1169175760	/nfs/dbraw/zinc/17/57/60/1169175760.db2.gz	SHUBHIKRHJHVET-LBPRGKRZSA-N	-1	0	307.350	0.602	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001602734499	1169176095	/nfs/dbraw/zinc/17/60/95/1169176095.db2.gz	NRJXTRQUFDHIOZ-GHMZBOCLSA-N	-1	0	312.391	0.038	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)NCCOCC(=O)[O-])c(Cl)c1	ZINC001602738982	1169176523	/nfs/dbraw/zinc/17/65/23/1169176523.db2.gz	VOEPDUGAGJXIGD-UHFFFAOYSA-N	-1	0	324.720	0.477	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)nnn2C)C(=O)[O-]	ZINC001602757956	1169180012	/nfs/dbraw/zinc/18/00/12/1169180012.db2.gz	XZJQLTQRNRUNMY-NSHDSACASA-N	-1	0	324.362	0.666	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001602787410	1169182558	/nfs/dbraw/zinc/18/25/58/1169182558.db2.gz	DXDLXOWADWCUSW-JTQLQIEISA-N	-1	0	322.321	0.259	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001602771488	1169183092	/nfs/dbraw/zinc/18/30/92/1169183092.db2.gz	WRULIGYWGNIDCX-HCKVZZMMSA-N	-1	0	308.334	0.800	20	30		DCEDRM
C=C[C@H](OC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-]	ZINC001602826355	1169187798	/nfs/dbraw/zinc/18/77/98/1169187798.db2.gz	AQCQIVFWCAIWBG-ZDUSSCGKSA-N	-1	0	319.313	0.955	20	30		DCEDRM
C=C[C@@H](OC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)[O-]	ZINC001602827385	1169190982	/nfs/dbraw/zinc/19/09/82/1169190982.db2.gz	LREFYLBIGRBQGM-OUAUKWLOSA-N	-1	0	309.318	0.734	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001602843227	1169191943	/nfs/dbraw/zinc/19/19/43/1169191943.db2.gz	XCXCOCCXULMJGI-SECBINFHSA-N	-1	0	303.311	0.739	20	30		DCEDRM
C=CCN1CCC(NS(=O)(=O)CC2(C(=O)[O-])CCC2)CC1	ZINC001602901517	1169202251	/nfs/dbraw/zinc/20/22/51/1169202251.db2.gz	NNNINSLEGHQDGY-UHFFFAOYSA-N	-1	0	316.423	0.811	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001602909607	1169202549	/nfs/dbraw/zinc/20/25/49/1169202549.db2.gz	AFNUKPFUSWENCN-OLZOCXBDSA-N	-1	0	304.302	0.364	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc2c([nH]c1=O)CCC2)C(=O)[O-]	ZINC001602913048	1169202562	/nfs/dbraw/zinc/20/25/62/1169202562.db2.gz	HIDQRKDMNXETQH-GFCCVEGCSA-N	-1	0	306.318	0.662	20	30		DCEDRM
C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602932294	1169210880	/nfs/dbraw/zinc/21/08/80/1169210880.db2.gz	NLLZWWDMDOFABB-WDEREUQCSA-N	-1	0	308.338	0.463	20	30		DCEDRM
C=CCn1c(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nnc1C1(O)CC1	ZINC001602937514	1169211944	/nfs/dbraw/zinc/21/19/44/1169211944.db2.gz	YODJZMXUPWCTSW-WDEREUQCSA-N	-1	0	306.366	0.993	20	30		DCEDRM
C=CCn1c(CC2CC(O)C2)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001602935165	1169212500	/nfs/dbraw/zinc/21/25/00/1169212500.db2.gz	AHODUTFFBPAWPF-HTAVTVPLSA-N	-1	0	322.365	0.067	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C1	ZINC001602982617	1169223886	/nfs/dbraw/zinc/22/38/86/1169223886.db2.gz	ZYROFBIJTSRMGE-MWLCHTKSSA-N	-1	0	312.337	0.434	20	30		DCEDRM
CC(C)(C)OC(=O)CSc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001603085316	1169245819	/nfs/dbraw/zinc/24/58/19/1169245819.db2.gz	QNKSCYNYLZIWPM-UHFFFAOYSA-N	-1	0	319.350	0.962	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC(Nc2ncc(C(=O)[O-])cn2)CC1	ZINC001603129774	1169250760	/nfs/dbraw/zinc/25/07/60/1169250760.db2.gz	MIXNUYXSECGTLO-VIFPVBQESA-N	-1	0	303.322	0.737	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@@H](N(C)c2ccnc(C(=O)[O-])n2)C1	ZINC001603129522	1169251024	/nfs/dbraw/zinc/25/10/24/1169251024.db2.gz	JQIBFJOOULZTMQ-NXEZZACHSA-N	-1	0	303.322	0.372	20	30		DCEDRM
C[C@](O)(CNS(=O)(=O)c1cccc(C#N)c1Cl)C(=O)[O-]	ZINC001603263930	1169284553	/nfs/dbraw/zinc/28/45/53/1169284553.db2.gz	XAIKETLOPWHWLU-NSHDSACASA-N	-1	0	318.738	0.326	20	30		DCEDRM
CC1(C)[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)[C@@H]2CCO[C@H]21	ZINC001603758692	1169381143	/nfs/dbraw/zinc/38/11/43/1169381143.db2.gz	ZCNJFAJTBWLDCT-UPZJHPNMSA-N	-1	0	312.337	0.754	20	30		DCEDRM
CC1(C)CO[C@H](CNc2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001603790994	1169391886	/nfs/dbraw/zinc/39/18/86/1169391886.db2.gz	AFQGFFTWOMIVMW-QMMMGPOBSA-N	-1	0	300.326	0.755	20	30		DCEDRM
C[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H](C2CC2)O1	ZINC001603939888	1169446460	/nfs/dbraw/zinc/44/64/60/1169446460.db2.gz	BWBMNXJTUKVIES-LDYMZIIASA-N	-1	0	312.337	0.532	20	30		DCEDRM
C[C@H](CC(=O)[O-])C(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC001604096596	1169492173	/nfs/dbraw/zinc/49/21/73/1169492173.db2.gz	KAWOYVIUZDQLQS-LLVKDONJSA-N	-1	0	302.334	0.713	20	30		DCEDRM
C[C@@H](C[N@H+](Cc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1)C(=O)[O-]	ZINC001604162029	1169511077	/nfs/dbraw/zinc/51/10/77/1169511077.db2.gz	XCHQZBVJPYOCCP-VIFPVBQESA-N	-1	0	315.333	0.992	20	30		DCEDRM
C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	ZINC001604460843	1169596664	/nfs/dbraw/zinc/59/66/64/1169596664.db2.gz	CHHFNRCGRDNSCU-BFVZDQMLSA-N	-1	0	324.358	0.909	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCC1CCC(C#N)CC1	ZINC001604627375	1169637462	/nfs/dbraw/zinc/63/74/62/1169637462.db2.gz	QPRINSSOQJYYEY-XVSSEFHLSA-N	-1	0	321.377	0.754	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC[C@@H]1C	ZINC001604740375	1169667181	/nfs/dbraw/zinc/66/71/81/1169667181.db2.gz	PVFCOUWRFLHHKL-RYUDHWBXSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C[C@H]1C	ZINC001604740376	1169667474	/nfs/dbraw/zinc/66/74/74/1169667474.db2.gz	PVFCOUWRFLHHKL-VXGBXAGGSA-N	-1	0	321.377	0.708	20	30		DCEDRM
CCC(=O)N1CC[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001604852067	1169708817	/nfs/dbraw/zinc/70/88/17/1169708817.db2.gz	CFUWAXYSSQLJFR-NSHDSACASA-N	-1	0	307.350	0.462	20	30		DCEDRM
CC[C@@H](C)[C@@H](C(=O)[O-])N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC001604923861	1169745193	/nfs/dbraw/zinc/74/51/93/1169745193.db2.gz	PRMJPRUNGYZSBV-HNCHTBHHSA-N	-1	0	300.380	0.356	20	30		DCEDRM
COc1ccc(CCn2c(N)nc(-c3nnn[n-]3)c2C#N)cc1	ZINC001605273768	1169883085	/nfs/dbraw/zinc/88/30/85/1169883085.db2.gz	GPLUYTYJJNLRBF-UHFFFAOYSA-N	-1	0	310.321	0.768	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc(C#N)nn1	ZINC001605448500	1169925148	/nfs/dbraw/zinc/92/51/48/1169925148.db2.gz	DEJUWYMMPYFWRK-GHMZBOCLSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC(C)(C)C(=O)[O-]	ZINC001605678128	1169986351	/nfs/dbraw/zinc/98/63/51/1169986351.db2.gz	VEGKQKKDEHVUIU-UHFFFAOYSA-N	-1	0	319.317	0.875	20	30		DCEDRM
CCc1ccc(C#CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1	ZINC001605803748	1170007414	/nfs/dbraw/zinc/00/74/14/1170007414.db2.gz	ACXGZUSVNCMCAJ-CQSZACIVSA-N	-1	0	314.341	0.402	20	30		DCEDRM
CN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[C@H]1CCC[C@@H]1C#N	ZINC001605961085	1170038482	/nfs/dbraw/zinc/03/84/82/1170038482.db2.gz	SOJYSYBQKBNHFH-WOPDTQHZSA-N	-1	0	307.350	0.460	20	30		DCEDRM
CN(C)c1ccc(NC(=O)CCN(CC#N)CC(=O)[O-])cc1	ZINC001606055055	1170065617	/nfs/dbraw/zinc/06/56/17/1170065617.db2.gz	LLDWLJNAOOYMNV-UHFFFAOYSA-N	-1	0	304.350	0.991	20	30		DCEDRM
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001606095498	1170074738	/nfs/dbraw/zinc/07/47/38/1170074738.db2.gz	LYVPVSJAEYFEGO-MGPQQGTHSA-N	-1	0	317.345	0.954	20	30		DCEDRM
CN(CCCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001606121708	1170083832	/nfs/dbraw/zinc/08/38/32/1170083832.db2.gz	NWPPDYKCQRJPGY-NWDGAFQWSA-N	-1	0	317.349	0.354	20	30		DCEDRM
CN(Cc1ccco1)C(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001606171174	1170102114	/nfs/dbraw/zinc/10/21/14/1170102114.db2.gz	YWUDNLAPSFFNCC-UHFFFAOYSA-N	-1	0	315.285	0.670	20	30		DCEDRM
CN1CC[C@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1=O	ZINC001606212060	1170117438	/nfs/dbraw/zinc/11/74/38/1170117438.db2.gz	JMWJUCMWFRZODE-NWDGAFQWSA-N	-1	0	302.286	0.705	20	30		DCEDRM
CNS(=O)(=O)c1ccc(N2CCC(C#N)(C(=O)[O-])CC2)cc1	ZINC001606306557	1170155503	/nfs/dbraw/zinc/15/55/03/1170155503.db2.gz	QJNYMJUJWMVLGE-UHFFFAOYSA-N	-1	0	323.374	0.789	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cc(C3CC3)on2)[n-]c1-c1nn[nH]n1	ZINC001606355552	1170169563	/nfs/dbraw/zinc/16/95/63/1170169563.db2.gz	HAVXSAKHPYDMIT-UHFFFAOYSA-N	-1	0	311.265	0.579	20	30		DCEDRM
COC(=O)c1ccc(NCCC(=O)NCCC(=O)[O-])c(C#N)n1	ZINC001606596944	1170241321	/nfs/dbraw/zinc/24/13/21/1170241321.db2.gz	IMHIHWOBQAIDSB-UHFFFAOYSA-N	-1	0	320.305	0.133	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001607065557	1170375899	/nfs/dbraw/zinc/37/58/99/1170375899.db2.gz	SSOSIUPTFQLAEF-LLVKDONJSA-N	-1	0	304.302	0.883	20	30		DCEDRM
O=c1[nH]cc2c(c1-c1nn[n-]n1)CCCC2N=Nc1nc[nH]n1	ZINC001607088367	1170387105	/nfs/dbraw/zinc/38/71/05/1170387105.db2.gz	JLHUTTUWJVWSFS-UHFFFAOYSA-N	-1	0	312.297	0.238	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001607418027	1170447461	/nfs/dbraw/zinc/44/74/61/1170447461.db2.gz	IUJPTYXJGZOFSV-ZETCQYMHSA-N	-1	0	313.291	0.608	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)NCc2ccc(C(=O)NO)cc2)O[C@H]1C(=O)[O-]	ZINC001607442433	1170454879	/nfs/dbraw/zinc/45/48/79/1170454879.db2.gz	AEFKIUYMMXAPLQ-GGZOMVNGSA-N	-1	0	322.317	0.300	20	30		DCEDRM
CCCCC[C@@H](O)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001607497568	1170467552	/nfs/dbraw/zinc/46/75/52/1170467552.db2.gz	IHUHMFKYTVIRKC-GFCCVEGCSA-N	-1	0	320.349	0.145	20	30		DCEDRM
Cc1onc(CC(=O)N2CCSC[C@@H](C(=O)[O-])C2)c1C#N	ZINC001608058113	1170563637	/nfs/dbraw/zinc/56/36/37/1170563637.db2.gz	FEWUBHKDOYONNG-VIFPVBQESA-N	-1	0	309.347	0.673	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC001608093467	1170569385	/nfs/dbraw/zinc/56/93/85/1170569385.db2.gz	GYCNWZQSZJUDKC-CMPLNLGQSA-N	-1	0	305.334	0.896	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C[C@H]2CCCS2(=O)=O)CC1	ZINC001608171899	1170609575	/nfs/dbraw/zinc/60/95/75/1170609575.db2.gz	SFOHHOUEVLPSEE-SNVBAGLBSA-N	-1	0	314.363	0.171	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCO[C@H]2C2CC2)CC1	ZINC001608172788	1170609606	/nfs/dbraw/zinc/60/96/06/1170609606.db2.gz	QDLBVBZHBGUYJW-NEPJUHHUSA-N	-1	0	307.350	0.954	20	30		DCEDRM
N#CCN(CC(=O)[O-])Cc1ccc(S(=O)(=O)NC2CC2)cc1	ZINC001608184043	1170611763	/nfs/dbraw/zinc/61/17/63/1170611763.db2.gz	OBDHYSKJEJHFGW-UHFFFAOYSA-N	-1	0	323.374	0.537	20	30		DCEDRM
N#CCSCCCOC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001608187117	1170612359	/nfs/dbraw/zinc/61/23/59/1170612359.db2.gz	NYERYCCXGZFKGA-UHFFFAOYSA-N	-1	0	310.331	0.737	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1coc2c1C(=O)NCCC2	ZINC001608186276	1170612741	/nfs/dbraw/zinc/61/27/41/1170612741.db2.gz	IJDYQXGMMIHMEN-UHFFFAOYSA-N	-1	0	305.290	0.396	20	30		DCEDRM
N#Cc1c(COC(=O)C2(O)CCOCC2)cccc1C(=O)[O-]	ZINC001608190898	1170612784	/nfs/dbraw/zinc/61/27/84/1170612784.db2.gz	LCBCNIVFRKILBN-UHFFFAOYSA-N	-1	0	305.286	0.841	20	30		DCEDRM
N#C[C@]12CN([C@H](C(=O)[O-])c3ccccc3)C[C@@H]1CS(=O)(=O)C2	ZINC001608191443	1170613649	/nfs/dbraw/zinc/61/36/49/1170613649.db2.gz	LPAAQJOXUGTGDA-VNHYZAJKSA-N	-1	0	320.370	0.682	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)co1	ZINC001608193993	1170613711	/nfs/dbraw/zinc/61/37/11/1170613711.db2.gz	NQXHFJONNHOFGJ-SNVBAGLBSA-N	-1	0	315.289	0.918	20	30		DCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC001608197323	1170614086	/nfs/dbraw/zinc/61/40/86/1170614086.db2.gz	XUJCZSXMROLQHN-NSHDSACASA-N	-1	0	314.294	0.171	20	30		DCEDRM
N#Cc1ccc([C@H](N[C@H](C[C@@H]2CCCO2)C(=O)[O-])C(N)=O)cc1	ZINC001608201965	1170614642	/nfs/dbraw/zinc/61/46/42/1170614642.db2.gz	JZANZAJHAMLEEX-MJBXVCDLSA-N	-1	0	317.345	0.697	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])cc1	ZINC001608201628	1170614764	/nfs/dbraw/zinc/61/47/64/1170614764.db2.gz	FNVLUEOANCJVBY-RDBSUJKOSA-N	-1	0	318.329	0.730	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])cc1	ZINC001608201622	1170614778	/nfs/dbraw/zinc/61/47/78/1170614778.db2.gz	FNVLUEOANCJVBY-IHRRRGAJSA-N	-1	0	318.329	0.730	20	30		DCEDRM
N#Cc1ccc(CNC(=O)Cn2cc(C(=O)[O-])cn2)cc1F	ZINC001608204944	1170614924	/nfs/dbraw/zinc/61/49/24/1170614924.db2.gz	PHGFCXYYNXJZIG-UHFFFAOYSA-N	-1	0	302.265	0.908	20	30		DCEDRM
N#Cc1ccc(F)cc1CN(CCN1CCOCC1)CC(=O)[O-]	ZINC001608206948	1170615756	/nfs/dbraw/zinc/61/57/56/1170615756.db2.gz	RGIXSYDJUTZOOS-UHFFFAOYSA-N	-1	0	321.352	0.916	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](CO)C2CCC2)c(C(=O)[O-])c1	ZINC001608211035	1170615915	/nfs/dbraw/zinc/61/59/15/1170615915.db2.gz	YDIOINCFSXHBRH-LBPRGKRZSA-N	-1	0	324.358	0.696	20	30		DCEDRM
N#Cc1ccc(NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CCC2)nn1	ZINC001608208700	1170616097	/nfs/dbraw/zinc/61/60/97/1170616097.db2.gz	LHLOIYPEYUYVHP-WDEREUQCSA-N	-1	0	315.333	0.520	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCSC[C@@H]2CC(=O)[O-])o1	ZINC001608210617	1170616189	/nfs/dbraw/zinc/61/61/89/1170616189.db2.gz	OLKGMJCZGDBRPM-QMMMGPOBSA-N	-1	0	316.360	0.732	20	30		DCEDRM
N#Cc1ccc(SCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC001608213569	1170617162	/nfs/dbraw/zinc/61/71/62/1170617162.db2.gz	RSWYSCRPDWKDEQ-GFCCVEGCSA-N	-1	0	306.343	0.962	20	30		DCEDRM
N#Cc1cncc(CNS(=O)(=O)c2scnc2C(=O)[O-])c1	ZINC001608222534	1170618799	/nfs/dbraw/zinc/61/87/99/1170618799.db2.gz	IISIBOLZSOFTBE-UHFFFAOYSA-N	-1	0	324.343	0.586	20	30		DCEDRM
N#Cc1nccc(N2CCC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1	ZINC001608225663	1170619477	/nfs/dbraw/zinc/61/94/77/1170619477.db2.gz	XEUNVLFEBOUHAE-WDEREUQCSA-N	-1	0	315.333	0.154	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCN(C[C@@H]2CCCO2)CC1	ZINC001608223797	1170619600	/nfs/dbraw/zinc/61/96/00/1170619600.db2.gz	JLBGAIILVMMIGW-LBPRGKRZSA-N	-1	0	316.361	0.952	20	30		DCEDRM
O=C([O-])C1CC2(C1)C[C@H](NC(=O)NCC#CCO)CCS2	ZINC001608415444	1170673667	/nfs/dbraw/zinc/67/36/67/1170673667.db2.gz	IJCSVGVVGPMHCF-IQLKVPPVSA-N	-1	0	312.391	0.410	20	30		DCEDRM
O=C([O-])[C@]1(CNC(=O)c2cccc(C#CCO)c2)CCOC1	ZINC001608429772	1170677075	/nfs/dbraw/zinc/67/70/75/1170677075.db2.gz	HJESTJDPQVJKDZ-INIZCTEOSA-N	-1	0	303.314	0.252	20	30		DCEDRM
O=C([O-])c1cc(C=NNS(=O)(=O)c2ccc(F)cc2)on1	ZINC001608841277	1170764745	/nfs/dbraw/zinc/76/47/45/1170764745.db2.gz	JMWPVEGWPYEAMF-UHFFFAOYSA-N	-1	0	313.266	0.824	20	30		DCEDRM
C#C[C@H](NC(=O)Cc1noc(C)c1-c1nn[nH]n1)C(C)(C)C	ZINC001609019123	1170785278	/nfs/dbraw/zinc/78/52/78/1170785278.db2.gz	NTFQFBDTZXSKOQ-JTQLQIEISA-N	-1	0	302.338	0.870	20	30		DCEDRM
C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)N(C)CCC(=O)[O-]	ZINC001609076322	1170800668	/nfs/dbraw/zinc/80/06/68/1170800668.db2.gz	HUJQXGFUANBBSZ-AWEZNQCLSA-N	-1	0	324.402	0.862	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cnc2onc(CC)c2c1)C(=O)[O-]	ZINC001609105168	1170808653	/nfs/dbraw/zinc/80/86/53/1170808653.db2.gz	MSSPOZIKUPDDCS-LLVKDONJSA-N	-1	0	323.330	0.540	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC001609167730	1170836596	/nfs/dbraw/zinc/83/65/96/1170836596.db2.gz	WSOKZGYLFCZFOK-NSHDSACASA-N	-1	0	318.329	0.579	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)NC[C@H](CC)C(=O)[O-])c1	ZINC001609167500	1170838626	/nfs/dbraw/zinc/83/86/26/1170838626.db2.gz	CBYWBGGXELLWHV-NSHDSACASA-N	-1	0	318.329	0.864	20	30		DCEDRM
CCn1cc(-c2nnn[n-]2)c(=O)n(CC#Cc2ccccc2)c1=O	ZINC001609257660	1170899538	/nfs/dbraw/zinc/89/95/38/1170899538.db2.gz	HCTILARTIVOTCJ-UHFFFAOYSA-N	-1	0	322.328	0.262	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])C1	ZINC001609407123	1170970389	/nfs/dbraw/zinc/97/03/89/1170970389.db2.gz	JTJWIJUQQUYKSI-SNVBAGLBSA-N	-1	0	321.333	0.763	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c[nH]nc1-c1cccnc1)C(=O)[O-]	ZINC001609442827	1170978687	/nfs/dbraw/zinc/97/86/87/1170978687.db2.gz	HCUJTANFORQJLR-GFCCVEGCSA-N	-1	0	316.317	0.857	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-]	ZINC001609442690	1170979102	/nfs/dbraw/zinc/97/91/02/1170979102.db2.gz	BAPFXRAFUACBKB-LBPRGKRZSA-N	-1	0	317.305	0.048	20	30		DCEDRM
C=CCn1cc(C(=O)N2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)nn1	ZINC001609484995	1170995063	/nfs/dbraw/zinc/99/50/63/1170995063.db2.gz	AIHFBVWWDHIATH-XEZLXBQYSA-N	-1	0	320.349	0.699	20	30		DCEDRM
C[C@H](C(=O)N(C)C1(C(=O)[O-])CCCCC1)n1cnc(C#N)n1	ZINC001609631740	1171055855	/nfs/dbraw/zinc/05/58/55/1171055855.db2.gz	NFUGZCIPJZEHNV-SNVBAGLBSA-N	-1	0	305.338	0.957	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001609684194	1171065744	/nfs/dbraw/zinc/06/57/44/1171065744.db2.gz	YSUNBDXJGOSAMT-WLYUNCDWSA-N	-1	0	308.334	0.839	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NCCC(=O)[O-]	ZINC001609803390	1171090462	/nfs/dbraw/zinc/09/04/62/1171090462.db2.gz	ROPXVZAPFBJBPD-JTQLQIEISA-N	-1	0	320.301	0.460	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001609831406	1171099275	/nfs/dbraw/zinc/09/92/75/1171099275.db2.gz	BPGOWGMVFUSMKD-LYORMUPZSA-N	-1	0	321.333	0.225	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(C(=O)[O-])nc1	ZINC001609994332	1171133820	/nfs/dbraw/zinc/13/38/20/1171133820.db2.gz	YYVXQWSIJSKIPH-SNVBAGLBSA-N	-1	0	319.317	0.945	20	30		DCEDRM
COCC[C@@](C)(C#N)NS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001610253332	1171208707	/nfs/dbraw/zinc/20/87/07/1171208707.db2.gz	AUZSWVSTZRVNDY-NSHDSACASA-N	-1	0	302.308	0.575	20	30		DCEDRM
C[C@@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)C[C@H]1C(=O)[O-]	ZINC001610393138	1171229920	/nfs/dbraw/zinc/22/99/20/1171229920.db2.gz	YHZQZRBJEWSDCB-ZSNFEOKMSA-N	-1	0	321.333	0.082	20	30		DCEDRM
N#Cc1cc2c(nc1N1C[C@@H](O)C[C@H](C(=O)[O-])C1)CCOC2	ZINC001610626109	1171271304	/nfs/dbraw/zinc/27/13/04/1171271304.db2.gz	LDIOSTAFNLJCCB-JQWIXIFHSA-N	-1	0	303.318	0.298	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(Cc2nnnn2-c2ccccc2)c1=O	ZINC001610624962	1171271698	/nfs/dbraw/zinc/27/16/98/1171271698.db2.gz	FMIJDIOVSANXCH-UHFFFAOYSA-N	-1	0	322.284	0.442	20	30		DCEDRM
COc1ccc([N+](=O)[O-])cc1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001613878996	1171369834	/nfs/dbraw/zinc/36/98/34/1171369834.db2.gz	YWHHNWHMSAJDFT-UHFFFAOYSA-N	-1	0	302.246	0.373	20	30		DCEDRM
C#C[C@H]1CC[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)OC)CC1	ZINC001622519854	1171425803	/nfs/dbraw/zinc/42/58/03/1171425803.db2.gz	UDNLKKXFMNBOPN-MGCOHNPYSA-N	-1	0	311.363	0.667	20	30		DCEDRM
C=CCN(Cc1ccc(OC)cc1)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001630742578	1171578758	/nfs/dbraw/zinc/57/87/58/1171578758.db2.gz	HPCYTBNZETYYBQ-UHFFFAOYSA-N	-1	0	318.333	0.913	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)c1nc[n-]c(=O)c1Br	ZINC001631912994	1171604880	/nfs/dbraw/zinc/60/48/80/1171604880.db2.gz	SKXHQORWBKCRQX-SSDOTTSWSA-N	-1	0	316.155	0.859	20	30		DCEDRM
COC[C@H](NC(=O)C(=O)C=Cc1ccc(F)cc1)c1nnn[n-]1	ZINC001638139902	1171787285	/nfs/dbraw/zinc/78/72/85/1171787285.db2.gz	PFRDXYSDPZXMFA-IBHLPDHGSA-N	-1	0	319.296	0.425	20	30		DCEDRM
C#CC1(O)CN(C(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)C1	ZINC001641904773	1171931801	/nfs/dbraw/zinc/93/18/01/1171931801.db2.gz	UTQKAPPJLBJKPE-UHFFFAOYSA-N	-1	0	301.327	0.444	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C=Cc2ccco2)c(=O)[n-]c1=O	ZINC001641967480	1171935436	/nfs/dbraw/zinc/93/54/36/1171935436.db2.gz	AVRVSJKBRBUHPO-ONEGZZNKSA-N	-1	0	300.274	0.243	20	30		DCEDRM
COCCn1nc(C(=O)[N-]Oc2cccc(C#N)c2)ccc1=O	ZINC001643517575	1171979579	/nfs/dbraw/zinc/97/95/79/1171979579.db2.gz	BNXGTNFDUDTBFS-UHFFFAOYSA-N	-1	0	314.301	0.485	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)CCc1nnc[nH]1	ZINC001645702005	1172107484	/nfs/dbraw/zinc/10/74/84/1172107484.db2.gz	SKZIIIIMHQKVPT-UHFFFAOYSA-N	-1	0	323.309	0.253	20	30		DCEDRM
CCc1nc(CN(C)c2[n-]c(=O)n(C)c(=O)c2C#N)cs1	ZINC001646629148	1172447038	/nfs/dbraw/zinc/44/70/38/1172447038.db2.gz	LGNHKJNSCOLPCS-UHFFFAOYSA-N	-1	0	305.363	0.601	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2OCCc3ccccc32)c(C#N)c1=O	ZINC001646632677	1172448198	/nfs/dbraw/zinc/44/81/98/1172448198.db2.gz	PXECNLHFMCJQNC-ZDUSSCGKSA-N	-1	0	312.329	0.671	20	30		DCEDRM
C[C@@H]1CSCCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001647464616	1172911520	/nfs/dbraw/zinc/91/15/20/1172911520.db2.gz	IQENESLPPDCUME-SECBINFHSA-N	-1	0	308.363	0.175	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC(C)(C)[C@@H]2c2cccnc2)c(C#N)c1=O	ZINC001647627852	1173006367	/nfs/dbraw/zinc/00/63/67/1173006367.db2.gz	BOHHIWCHHNWGJH-LBPRGKRZSA-N	-1	0	311.345	0.928	20	30		DCEDRM
CN(C)S(=O)(=O)[N-]C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC001649796875	1173231095	/nfs/dbraw/zinc/23/10/95/1173231095.db2.gz	XQCATXTWZPNVRZ-UHFFFAOYSA-N	-1	0	313.354	0.898	20	30		DCEDRM
CCOc1ccccc1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001650225584	1173522616	/nfs/dbraw/zinc/52/26/16/1173522616.db2.gz	LUIFJTGCEFBOHW-UHFFFAOYSA-N	-1	0	300.318	0.956	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2ccc(OCCCO)cc2)c(C#N)c1=O	ZINC001651832731	1173753460	/nfs/dbraw/zinc/75/34/60/1173753460.db2.gz	BBUADGKTVIQTOX-UHFFFAOYSA-N	-1	0	316.317	0.450	20	30		DCEDRM
Cc1cncc(-c2nc(Cn3c(=O)[n-]cc(C#N)c3=O)no2)c1	ZINC001652053109	1173761511	/nfs/dbraw/zinc/76/15/11/1173761511.db2.gz	GUBCGMOILOSQFJ-UHFFFAOYSA-N	-1	0	310.273	0.210	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001661181598	1174104219	/nfs/dbraw/zinc/10/42/19/1174104219.db2.gz	IXJYKCPBAMGCPK-VIFPVBQESA-N	-1	0	316.335	0.763	20	30		DCEDRM
CO[N-]C(=O)CNS(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC001665890718	1174571991	/nfs/dbraw/zinc/57/19/91/1174571991.db2.gz	HENBOPCXUMMDLS-UHFFFAOYSA-N	-1	0	317.754	0.362	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001684298541	1175996810	/nfs/dbraw/zinc/99/68/10/1175996810.db2.gz	AZKXAZZDZYLYKG-RYUDHWBXSA-N	-1	0	321.381	0.828	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001688018394	1176335017	/nfs/dbraw/zinc/33/50/17/1176335017.db2.gz	SBSUSHRRDHMLRS-DCAQKATOSA-N	-1	0	322.365	0.392	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001690445844	1177245311	/nfs/dbraw/zinc/24/53/11/1177245311.db2.gz	FGEWMKKYQHEBGQ-NEPJUHHUSA-N	-1	0	321.381	0.019	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001702496515	1179219390	/nfs/dbraw/zinc/21/93/90/1179219390.db2.gz	FNIKHBGMXCWKND-TXEJJXNPSA-N	-1	0	316.361	0.462	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](NC(=O)C#CC2CC2)C2CC2)c1[O-]	ZINC001703834740	1179691477	/nfs/dbraw/zinc/69/14/77/1179691477.db2.gz	FTVUXJUQKDBOOD-LBPRGKRZSA-N	-1	0	316.361	0.462	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1	ZINC001717489730	1182858856	/nfs/dbraw/zinc/85/88/56/1182858856.db2.gz	YLDJWLQOKKMRAS-MXWKQRLJSA-N	-1	0	309.370	0.038	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001733758348	1186435857	/nfs/dbraw/zinc/43/58/57/1186435857.db2.gz	NETYJQFZDJOQGC-LBPRGKRZSA-N	-1	0	305.382	0.640	20	30		DCEDRM
C=CCCCC(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001739036471	1187729509	/nfs/dbraw/zinc/72/95/09/1187729509.db2.gz	XTQQWIVLOVSMOE-UHFFFAOYSA-N	-1	0	321.337	0.018	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C12CCC2	ZINC001739473909	1187803387	/nfs/dbraw/zinc/80/33/87/1187803387.db2.gz	MOKCXHFSMAYBID-QWHCGFSZSA-N	-1	0	315.377	0.621	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001740443469	1187901459	/nfs/dbraw/zinc/90/14/59/1187901459.db2.gz	AMZCZQOITAZASO-OAHLLOKOSA-N	-1	0	322.365	0.035	20	30		DCEDRM
C#CCCCCC(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001744443844	1188207789	/nfs/dbraw/zinc/20/77/89/1188207789.db2.gz	RIRTVNQOBSMCBC-TXEJJXNPSA-N	-1	0	318.377	0.994	20	30		DCEDRM
C#CCOCCC(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001754626474	1188893218	/nfs/dbraw/zinc/89/32/18/1188893218.db2.gz	DQNARLLFWGNPQZ-UHFFFAOYSA-N	-1	0	321.381	0.021	20	30		DCEDRM
C#CCN(C(C)=O)C1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001759981647	1190356227	/nfs/dbraw/zinc/35/62/27/1190356227.db2.gz	UUTJARBQPULBLU-UHFFFAOYSA-N	-1	0	304.350	0.510	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1C#N)[C@H]1CCOC1	ZINC001771780242	1190496960	/nfs/dbraw/zinc/49/69/60/1190496960.db2.gz	UMLVSHHNBMSWQB-WCQYABFASA-N	-1	0	324.358	0.415	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC=CCNc2nccnc2C#N)c1[O-]	ZINC001107125631	751874450	/nfs/dbraw/zinc/87/44/50/751874450.db2.gz	BUHHNMQWUMRQAZ-IHWYPQMZSA-N	-1	0	313.321	0.484	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H](C)Nc2cnc(C#N)cn2)c1[O-]	ZINC001115671505	751952654	/nfs/dbraw/zinc/95/26/54/751952654.db2.gz	PFAKEAXUMFXPRC-MRVPVSSYSA-N	-1	0	315.337	0.658	20	30		DCEDRM
C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001043311161	752173319	/nfs/dbraw/zinc/17/33/19/752173319.db2.gz	PNBWBVJBIRRSKG-UHFFFAOYSA-N	-1	0	322.365	0.083	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)c1[O-]	ZINC001059188618	748817416	/nfs/dbraw/zinc/81/74/16/748817416.db2.gz	KQVNCLSUXWRTKG-KYZUINATSA-N	-1	0	313.321	0.458	20	30		DCEDRM
CCc1nc(C#N)cc(NC(=N)SCCS(=O)(=O)[O-])n1	ZINC001168090344	749377529	/nfs/dbraw/zinc/37/75/29/749377529.db2.gz	HBOVTJFOBTUHOT-UHFFFAOYSA-N	-1	0	315.380	0.878	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C[S@](C)=O)c1	ZINC001122625259	751117221	/nfs/dbraw/zinc/11/72/21/751117221.db2.gz	NSDVDKAAXDEJJB-XMHCIUCPSA-N	-1	0	322.386	0.650	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)NCCNCc1nc(=O)n(C)[nH]1	ZINC001128209161	753469772	/nfs/dbraw/zinc/46/97/72/753469772.db2.gz	QQVBRFLZYBDIFF-UHFFFAOYSA-N	-1	0	301.778	0.093	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](NC(=O)C#CC3CC3)[C@@H](C)C2)c1[O-]	ZINC001071908852	762218202	/nfs/dbraw/zinc/21/82/02/762218202.db2.gz	COLMYNRLXXPDDX-CABZTGNLSA-N	-1	0	316.361	0.414	20	30		DCEDRM
C#CCCCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1C	ZINC001071910107	762219450	/nfs/dbraw/zinc/21/94/50/762219450.db2.gz	TVYQLIXYGRMYEA-CMPLNLGQSA-N	-1	0	318.377	0.804	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CN(CC#N)CCC2(F)F)c1[O-]	ZINC001046928370	754023341	/nfs/dbraw/zinc/02/33/41/754023341.db2.gz	QJJNFPGTXOXXDU-VIFPVBQESA-N	-1	0	313.308	0.634	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)Nc2ncccc2C#N)c1[O-]	ZINC001097803495	755749391	/nfs/dbraw/zinc/74/93/91/755749391.db2.gz	HNCPRVPRURAMRY-QMMMGPOBSA-N	-1	0	300.322	0.921	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2ncccc2C#N)c1[O-]	ZINC001097803494	755749407	/nfs/dbraw/zinc/74/94/07/755749407.db2.gz	HNCPRVPRURAMRY-MRVPVSSYSA-N	-1	0	300.322	0.921	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)Nc2ccncc2C#N)c1[O-]	ZINC001097804906	755750375	/nfs/dbraw/zinc/75/03/75/755750375.db2.gz	RWRRLVMAEZPICN-QMMMGPOBSA-N	-1	0	300.322	0.343	20	30		DCEDRM
C=C(C)CN1C[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@H]2C1	ZINC001083052237	757456775	/nfs/dbraw/zinc/45/67/75/757456775.db2.gz	GMODLPVDXQDSGD-NWDGAFQWSA-N	-1	0	306.366	0.525	20	30		DCEDRM
CSc1nc(Cl)c(/C=N/[O-])c(N2CCNC[C@@H]2C#N)n1	ZINC001156320871	760680738	/nfs/dbraw/zinc/68/07/38/760680738.db2.gz	GMXKEQIWVDUOKI-CKLBDGOISA-N	-1	0	312.786	0.962	20	30		DCEDRM
CCc1cc(=O)n2nc(NC(=O)c3ccc(C#N)n3C)[n-]c2n1	ZINC001131556090	763867052	/nfs/dbraw/zinc/86/70/52/763867052.db2.gz	LLTIBLHCZIWTLM-UHFFFAOYSA-N	-1	0	311.305	0.442	20	30		DCEDRM
C=CC[C@H](NC(=O)CNC(=O)c1cccc(OC)c1)C(=O)[O-]	ZINC001116921708	765927500	/nfs/dbraw/zinc/92/75/00/765927500.db2.gz	GTUWVMVSXPFZDA-LBPRGKRZSA-N	-1	0	306.318	0.571	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cncc(OCC(F)F)c1	ZINC001117678669	766125187	/nfs/dbraw/zinc/12/51/87/766125187.db2.gz	JCJLIDPIKYMUHC-UHFFFAOYSA-N	-1	0	318.301	0.808	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC001144583991	766979738	/nfs/dbraw/zinc/97/97/38/766979738.db2.gz	YJSVDALWSGLTLC-MRVPVSSYSA-N	-1	0	319.273	0.813	20	30		DCEDRM
C#CCCN(CCOC)c1nnc(-c2cc(=O)n(C)[n-]2)n1C	ZINC001121470188	767565927	/nfs/dbraw/zinc/56/59/27/767565927.db2.gz	OBKWHZZBJKGGOC-UHFFFAOYSA-N	-1	0	304.354	0.397	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(CC)CCOCC	ZINC001121561816	767592104	/nfs/dbraw/zinc/59/21/04/767592104.db2.gz	QCWGSOPGRFTMRI-UHFFFAOYSA-N	-1	0	306.370	0.551	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccn(C2CCOCC2)n1	ZINC001122515333	767822148	/nfs/dbraw/zinc/82/21/48/767822148.db2.gz	BCQVMKKEZPHTHX-LBPRGKRZSA-N	-1	0	302.334	0.836	20	30		DCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N(CC#N)C3CC3)cc2=O)n1	ZINC001142371979	768641747	/nfs/dbraw/zinc/64/17/47/768641747.db2.gz	ZGFVKWSYGXDWQF-UHFFFAOYSA-N	-1	0	312.333	0.701	20	30		DCEDRM
N#Cc1cc(C(F)(F)F)cnc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001233506592	769378737	/nfs/dbraw/zinc/37/87/37/769378737.db2.gz	IKNUCWOXSBSDMY-SSDOTTSWSA-N	-1	0	304.180	0.713	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccnc([N+](=O)[O-])c1	ZINC001233857691	769475463	/nfs/dbraw/zinc/47/54/63/769475463.db2.gz	OWHTXRIPIRKWAM-JTQLQIEISA-N	-1	0	318.307	0.828	20	30		DCEDRM
C=CCOC[C@H]1CCC[C@@]12CN(C(=O)Cc1nnn[n-]1)CCO2	ZINC001176841192	770188193	/nfs/dbraw/zinc/18/81/93/770188193.db2.gz	UCORFLNIRGKHHE-IUODEOHRSA-N	-1	0	321.381	0.343	20	30		DCEDRM
N#Cc1ccc2c(c1)n[nH]c2C(=O)N[C@@H]1SC(=O)[N-]C1=O	ZINC001156889035	770955242	/nfs/dbraw/zinc/95/52/42/770955242.db2.gz	DPDPWEQTMLFRNR-LLVKDONJSA-N	-1	0	301.287	0.473	20	30		DCEDRM
C[C@H]1[C@H](Nc2cc(Cl)cc(C#N)n2)C(=O)N1S(=O)(=O)[O-]	ZINC001157067726	771526426	/nfs/dbraw/zinc/52/64/26/771526426.db2.gz	PBMVUSIZLNQBOI-CDUCUWFYSA-N	-1	0	316.726	0.421	20	30		DCEDRM
Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244768	771763068	/nfs/dbraw/zinc/76/30/68/771763068.db2.gz	VFJRTVNORAARLS-UHFFFAOYSA-N	-1	0	317.281	0.872	20	30		DCEDRM
Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(C#N)n1	ZINC001186898795	772102397	/nfs/dbraw/zinc/10/23/97/772102397.db2.gz	LGHOTDVTXQMQDH-UHFFFAOYSA-N	-1	0	317.330	0.587	20	30		DCEDRM
COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2c[nH]cn2)c1	ZINC001187763009	772224919	/nfs/dbraw/zinc/22/49/19/772224919.db2.gz	WQIVSKQZBDSKSZ-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCOC[C@@H]1C#N	ZINC001187995179	772256412	/nfs/dbraw/zinc/25/64/12/772256412.db2.gz	NMERASFBXDIGMA-NSHDSACASA-N	-1	0	323.374	0.813	20	30		DCEDRM
CC#CCCCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001188903369	772383321	/nfs/dbraw/zinc/38/33/21/772383321.db2.gz	RMNVNUZXZJNHHQ-QWHCGFSZSA-N	-1	0	317.393	0.737	20	30		DCEDRM
C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1	ZINC001189778276	772530461	/nfs/dbraw/zinc/53/04/61/772530461.db2.gz	QDXAGIQFJGDBHT-ZETCQYMHSA-N	-1	0	323.754	0.935	20	30		DCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)c2ncc[nH]2)c(C#N)c1	ZINC001190729120	772669929	/nfs/dbraw/zinc/66/99/29/772669929.db2.gz	HGOWTAODLOODMF-UHFFFAOYSA-N	-1	0	306.303	0.869	20	30		DCEDRM
COc1ccnc(C(=O)N=C(N)c2ccc(C(N)=O)cc2)c1[O-]	ZINC001193539751	773073773	/nfs/dbraw/zinc/07/37/73/773073773.db2.gz	VZCCFQXEZXGJNI-UHFFFAOYSA-N	-1	0	314.301	0.440	20	30		DCEDRM
CCOC(=O)CC1(NC(=O)c2ccc([O-])c(C#N)c2)COC1	ZINC001193516023	773077038	/nfs/dbraw/zinc/07/70/38/773077038.db2.gz	XURRXRAFPDMKEL-UHFFFAOYSA-N	-1	0	304.302	0.716	20	30		DCEDRM
N#Cc1cccc(C(=O)N2Cc3ccnn3CC[C@H]2CO)c1[O-]	ZINC001193646100	773097375	/nfs/dbraw/zinc/09/73/75/773097375.db2.gz	BVIDFGMAKZYVNX-ZDUSSCGKSA-N	-1	0	312.329	0.867	20	30		DCEDRM
C=CCOC(=O)N[C@]1(C(=O)[N-]S(=O)(=O)C2CC2)C[C@H]1C=C	ZINC001194340331	773182826	/nfs/dbraw/zinc/18/28/26/773182826.db2.gz	QZKLTWSCQTWTCO-NOZJJQNGSA-N	-1	0	314.363	0.452	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001194397532	773186413	/nfs/dbraw/zinc/18/64/13/773186413.db2.gz	WQEIZMHUZQQTQV-WDEREUQCSA-N	-1	0	309.370	0.134	20	30		DCEDRM
C=C[C@@H]1C[C@]1(NC(=O)NC(C)C)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001202532273	774888358	/nfs/dbraw/zinc/88/83/58/774888358.db2.gz	GUBUFLNDPDUIJG-NOZJJQNGSA-N	-1	0	315.395	0.247	20	30		DCEDRM
C=CCOCC(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001222636818	775404380	/nfs/dbraw/zinc/40/43/80/775404380.db2.gz	QTSDIWXMJIZRAZ-UHFFFAOYSA-N	-1	0	309.370	0.041	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC(=C)C(=O)OCC	ZINC001224357349	775562667	/nfs/dbraw/zinc/56/26/67/775562667.db2.gz	FMTOVQRBCGQGOR-LLVKDONJSA-N	-1	0	308.352	0.581	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nccc(/C=N/O)n1	ZINC001226256696	775789477	/nfs/dbraw/zinc/78/94/77/775789477.db2.gz	VKKSCAGEFNNECA-FYTLYHSASA-N	-1	0	317.323	0.123	20	30		DCEDRM
N#Cc1ccccc1CN1CC[C@H](Oc2nc(=O)[n-]c(=O)[nH]2)C1	ZINC001227570508	775987887	/nfs/dbraw/zinc/98/78/87/775987887.db2.gz	LUCSUWGISVNRLF-LBPRGKRZSA-N	-1	0	313.317	0.808	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(=O)cc(C)[nH]1	ZINC001228122272	776048353	/nfs/dbraw/zinc/04/83/53/776048353.db2.gz	RNUUHBOYJAYSMI-NSHDSACASA-N	-1	0	303.336	0.933	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncncc1[N+](=O)[O-]	ZINC001228655873	776109442	/nfs/dbraw/zinc/10/94/42/776109442.db2.gz	WYFWKDUFKRJPRO-QMMMGPOBSA-N	-1	0	319.295	0.223	20	30		DCEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1COc2nc([N+](=O)[O-])cn2C1	ZINC001228901649	776136729	/nfs/dbraw/zinc/13/67/29/776136729.db2.gz	NHUBOHUBDIVURT-QMMMGPOBSA-N	-1	0	303.234	0.604	20	30		DCEDRM
O=S(=O)(OCC(F)(F)F)c1cccnc1-c1nnn[n-]1	ZINC001593446791	1167843640	/nfs/dbraw/zinc/84/36/40/1167843640.db2.gz	BOBQLFYMAHDGPQ-UHFFFAOYSA-N	-1	0	309.229	0.529	20	30		DCEDRM
Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(C)[C@@]1(C#N)CCOC1	ZINC001599996739	1168086416	/nfs/dbraw/zinc/08/64/16/1168086416.db2.gz	GCHGNHKGEINLBQ-CQSZACIVSA-N	-1	0	324.358	0.996	20	30		DCEDRM
Cc1cc(S(=O)(=O)N2CCN(CC#N)CC2)oc1C(=O)[O-]	ZINC001600293339	1168156369	/nfs/dbraw/zinc/15/63/69/1168156369.db2.gz	JYDLVNACCHDVQH-UHFFFAOYSA-N	-1	0	313.335	0.116	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NC1(C(=O)[O-])CC(CO)C1	ZINC001600328121	1168164285	/nfs/dbraw/zinc/16/42/85/1168164285.db2.gz	OSUUJYQDKNFNGD-UHFFFAOYSA-N	-1	0	324.358	0.371	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)NCC(F)(F)C(=O)[O-]	ZINC001601078622	1168583209	/nfs/dbraw/zinc/58/32/09/1168583209.db2.gz	SQUUYHFHBGHUFV-UHFFFAOYSA-N	-1	0	304.274	0.751	20	30		DCEDRM
C=CCN(CC=C)C(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001602887615	1169197416	/nfs/dbraw/zinc/19/74/16/1169197416.db2.gz	CPMWXNAVIQYUJG-UHFFFAOYSA-N	-1	0	301.302	0.619	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001602881341	1169198065	/nfs/dbraw/zinc/19/80/65/1169198065.db2.gz	QHILOQMABCMGGZ-GRYCIOLGSA-N	-1	0	313.350	0.832	20	30		DCEDRM
C=CCOCCCn1nnnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001602915356	1169204972	/nfs/dbraw/zinc/20/49/72/1169204972.db2.gz	LLZCZGQABOVJIX-FZMZJTMJSA-N	-1	0	309.370	0.813	20	30		DCEDRM
C#CCN1C(=O)COCC12CN(C(=O)c1cccc(F)c1[O-])C2	ZINC001272232854	941855312	/nfs/dbraw/zinc/85/53/12/941855312.db2.gz	BNGMDNYKRDCQMY-UHFFFAOYSA-N	-1	0	318.304	0.218	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H](C)C[NH2+]Cc1cc(=O)n2[n-]ccc2n1	ZINC001483126743	941868540	/nfs/dbraw/zinc/86/85/40/941868540.db2.gz	WACIIFWJFDDBSD-GFCCVEGCSA-N	-1	0	315.377	0.276	20	30		DCEDRM
Cc1cc(C2CCN(c3[n-]c(=O)n(C)c(=O)c3C#N)CC2)n[nH]1	ZINC001412876787	942120442	/nfs/dbraw/zinc/12/04/42/942120442.db2.gz	HTSSSZQXDLEPJA-UHFFFAOYSA-N	-1	0	314.349	0.361	20	30		DCEDRM
CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001412941436	942147774	/nfs/dbraw/zinc/14/77/74/942147774.db2.gz	VBKXGTMYEBGFTM-GFCCVEGCSA-N	-1	0	304.350	0.906	20	30		DCEDRM
CC(C)CC[C@@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413279710	942604004	/nfs/dbraw/zinc/60/40/04/942604004.db2.gz	UKXCEFXTKKQIIH-LBPRGKRZSA-N	-1	0	322.365	0.124	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001601063892	970925880	/nfs/dbraw/zinc/92/58/80/970925880.db2.gz	DCEYZTWEAXQUGK-TUAOUCFPSA-N	-1	0	307.350	0.508	20	30		DCEDRM
C=CCN1C(=O)COCC12CN(C(=O)c1c([O-])cccc1F)C2	ZINC001272387933	942730433	/nfs/dbraw/zinc/73/04/33/942730433.db2.gz	FEYMDNLCQFJSSM-UHFFFAOYSA-N	-1	0	320.320	0.771	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC001611291380	970977047	/nfs/dbraw/zinc/97/70/47/970977047.db2.gz	SRXKCIBUHSYSME-SNVBAGLBSA-N	-1	0	303.322	0.140	20	30		DCEDRM
C#CCCCCC(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001484589756	943464210	/nfs/dbraw/zinc/46/42/10/943464210.db2.gz	ACTGSDNOYIVDES-LBPRGKRZSA-N	-1	0	321.381	0.021	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NC(=O)C#CC2CC2)c1[O-]	ZINC001486681412	945061375	/nfs/dbraw/zinc/06/13/75/945061375.db2.gz	IZICNNWDLROCHL-RKDXNWHRSA-N	-1	0	304.350	0.460	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1	ZINC001320443039	945876941	/nfs/dbraw/zinc/87/69/41/945876941.db2.gz	AOHASGYDOSPDFL-UHFFFAOYSA-N	-1	0	320.374	0.967	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC001320690012	945977086	/nfs/dbraw/zinc/97/70/86/945977086.db2.gz	AZDJTGSWOGOFAH-UHFFFAOYSA-N	-1	0	309.326	0.128	20	30		DCEDRM
Cc1ccc(S(=O)(=O)OCc2cn(CC(=O)[O-])nn2)cc1	ZINC001254093550	946313855	/nfs/dbraw/zinc/31/38/55/946313855.db2.gz	CRDDPWVNSMTQGI-UHFFFAOYSA-N	-1	0	311.319	0.577	20	30		DCEDRM
C=CC[C@H](NC(=O)CN1c2ccccc2OCCC1=O)C(=O)[O-]	ZINC001321657986	946416419	/nfs/dbraw/zinc/41/64/19/946416419.db2.gz	LIORRBCATCPILU-NSHDSACASA-N	-1	0	318.329	0.948	20	30		DCEDRM
N#CCC1(O)CN(C(=O)CSc2n[n-]c(=S)s2)C1	ZINC001256345902	946623919	/nfs/dbraw/zinc/62/39/19/946623919.db2.gz	CPRXTQOSPROJKU-UHFFFAOYSA-N	-1	0	302.406	0.406	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2n[nH]cc2c1	ZINC001602678683	971255691	/nfs/dbraw/zinc/25/56/91/971255691.db2.gz	DKHOTUJYQYZAMV-UHFFFAOYSA-N	-1	0	300.274	0.048	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(CCC#N)cc1	ZINC001602679210	971259115	/nfs/dbraw/zinc/25/91/15/971259115.db2.gz	LIPYCHFVVMZAQN-UHFFFAOYSA-N	-1	0	313.313	0.628	20	30		DCEDRM
C=CC[C@H](NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O)C(=O)[O-]	ZINC001322601333	946741369	/nfs/dbraw/zinc/74/13/69/946741369.db2.gz	PYDWZHCHTDZOGR-QWRGUYRKSA-N	-1	0	318.395	0.192	20	30		DCEDRM
C=CC[C@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)[O-]	ZINC001322603065	946742790	/nfs/dbraw/zinc/74/27/90/946742790.db2.gz	VUGXAHGYMKGLSU-LBPRGKRZSA-N	-1	0	308.309	0.630	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC1CN(C(=O)OC(C)(C)C)C1	ZINC001602684101	971278599	/nfs/dbraw/zinc/27/85/99/971278599.db2.gz	QOGAYGROUFMAIG-UHFFFAOYSA-N	-1	0	311.338	0.335	20	30		DCEDRM
COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C#N)ccn1	ZINC001258196530	946810395	/nfs/dbraw/zinc/81/03/95/946810395.db2.gz	SRXBDKRSSPIPIU-UHFFFAOYSA-N	-1	0	317.326	0.963	20	30		DCEDRM
Cc1noc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C(N)=O	ZINC001259117945	946915750	/nfs/dbraw/zinc/91/57/50/946915750.db2.gz	QYVJCFDTOKAGCM-UHFFFAOYSA-N	-1	0	306.303	0.754	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)c1	ZINC001259126495	946917328	/nfs/dbraw/zinc/91/73/28/946917328.db2.gz	OQBJXYGMERXBHM-UHFFFAOYSA-N	-1	0	321.280	0.515	20	30		DCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)n1	ZINC001259339121	946946637	/nfs/dbraw/zinc/94/66/37/946946637.db2.gz	HHVQMCKXNIKIBW-UHFFFAOYSA-N	-1	0	318.314	0.920	20	30		DCEDRM
C=CCS(=O)(=O)[N-]c1ncc(Br)cc1C(N)=O	ZINC001259923083	947020024	/nfs/dbraw/zinc/02/00/24/947020024.db2.gz	RGYXOXWYOUBNKA-UHFFFAOYSA-N	-1	0	320.168	0.871	20	30		DCEDRM
C#CCN(CC(=O)[O-])Cc1nc(-c2ccc(OC)nn2)no1	ZINC001602699085	971314985	/nfs/dbraw/zinc/31/49/85/971314985.db2.gz	ICVHYEGGKGODAF-UHFFFAOYSA-N	-1	0	303.278	0.055	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCCN2C)n1CC=C	ZINC001602700579	971319248	/nfs/dbraw/zinc/31/92/48/971319248.db2.gz	AABQGJOTRYUDPL-LBPRGKRZSA-N	-1	0	303.366	0.755	20	30		DCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)Cc1ccccc1F	ZINC001260630310	947131808	/nfs/dbraw/zinc/13/18/08/947131808.db2.gz	GFHONQPYZGBLQS-NSHDSACASA-N	-1	0	300.311	0.700	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC001602707216	971342443	/nfs/dbraw/zinc/34/24/43/971342443.db2.gz	MHKNFOOJIAIYMT-UTUOFQBUSA-N	-1	0	312.366	0.263	20	30		DCEDRM
CC(=O)N(c1nc(C=Nn2c(=O)[n-][nH]c2=O)cs1)C1CC1	ZINC001261232519	947224079	/nfs/dbraw/zinc/22/40/79/947224079.db2.gz	JMKXJFAXIHXBRV-UHFFFAOYSA-N	-1	0	308.323	0.543	20	30		DCEDRM
C=C[C@@H](C)NC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001602717520	971368157	/nfs/dbraw/zinc/36/81/57/971368157.db2.gz	PVICBBNNZUWWKT-GHMZBOCLSA-N	-1	0	309.366	0.668	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C1	ZINC001261838225	947457512	/nfs/dbraw/zinc/45/75/12/947457512.db2.gz	ZYZLYNCLCJEZDB-UPJWGTAASA-N	-1	0	324.377	0.359	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2CCN(C(C)=O)CC2)CC1	ZINC001261886223	947472649	/nfs/dbraw/zinc/47/26/49/947472649.db2.gz	WFVLOZNRDZRCKA-UHFFFAOYSA-N	-1	0	300.380	0.410	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1	ZINC001325743857	947907254	/nfs/dbraw/zinc/90/72/54/947907254.db2.gz	QSERMURJGHGDSY-IAQYHMDHSA-N	-1	0	310.350	0.113	20	30		DCEDRM
N#CCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1CCCO1	ZINC001192939618	948005727	/nfs/dbraw/zinc/00/57/27/948005727.db2.gz	UYQSZFQBJRTMPU-MRVPVSSYSA-N	-1	0	308.323	0.401	20	30		DCEDRM
COc1nonc1[N-]S(=O)(=O)c1cc(OC)ccc1C#N	ZINC001193639663	948012542	/nfs/dbraw/zinc/01/25/42/948012542.db2.gz	AKWNTPYZORIWNP-UHFFFAOYSA-N	-1	0	310.291	0.759	20	30		DCEDRM
C=CC[C@H](NC(=O)c1ccccc1OCC(=O)N(C)C)C(=O)[O-]	ZINC001327013193	948363819	/nfs/dbraw/zinc/36/38/19/948363819.db2.gz	IJXNIWDPKCLVTM-LBPRGKRZSA-N	-1	0	320.345	0.913	20	30		DCEDRM
COCCO[N-]C(=O)C(=O)N[C@H]1CCc2cc(C#N)ccc21	ZINC001327024763	948368756	/nfs/dbraw/zinc/36/87/56/948368756.db2.gz	UJEUNBTVKVQVJO-ZDUSSCGKSA-N	-1	0	303.318	0.356	20	30		DCEDRM
CC1(C#N)CCN(C(=O)NCCC(=O)NCCC(=O)[O-])CC1	ZINC001604483841	1169599928	/nfs/dbraw/zinc/59/99/28/1169599928.db2.gz	ZILRWGLBYRCLID-UHFFFAOYSA-N	-1	0	310.354	0.303	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC([C@@H]2COC(=O)N2)CC1	ZINC001602778066	971509832	/nfs/dbraw/zinc/50/98/32/971509832.db2.gz	AKSRFOMGXYOXLY-IINYFYTJSA-N	-1	0	309.322	0.338	20	30		DCEDRM
N#Cc1ncc(N2CCOC[C@H]2CC(F)F)nc1-c1nnn[n-]1	ZINC001570932751	948863020	/nfs/dbraw/zinc/86/30/20/948863020.db2.gz	XNRZOHKLQLKPNV-SSDOTTSWSA-N	-1	0	322.279	0.389	20	30		DCEDRM
C[C@@]1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCCCO1	ZINC001364365845	949128301	/nfs/dbraw/zinc/12/83/01/949128301.db2.gz	MFPMIDPXZOXVQX-HNNXBMFYSA-N	-1	0	320.349	0.286	20	30		DCEDRM
CCNc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001364381910	949154100	/nfs/dbraw/zinc/15/41/00/949154100.db2.gz	AAQLZUDZFCRIPS-UHFFFAOYSA-N	-1	0	314.305	0.286	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)[C@@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC001602796299	971560351	/nfs/dbraw/zinc/56/03/51/971560351.db2.gz	XQIHGEBVUGEKJY-GZMMTYOYSA-N	-1	0	319.273	0.641	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@]2(CCOC2)O1	ZINC001589625131	949468135	/nfs/dbraw/zinc/46/81/35/949468135.db2.gz	VTJIOMZOEMDCKO-DFBGVHRSSA-N	-1	0	310.350	0.787	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(C(=O)NC)cc1C	ZINC001329674256	949766992	/nfs/dbraw/zinc/76/69/92/949766992.db2.gz	ACFQMWWIDQWPFR-UHFFFAOYSA-N	-1	0	305.334	0.917	20	30		DCEDRM
C[C@@H](C[S@](C)=O)N(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364693720	949769917	/nfs/dbraw/zinc/76/99/17/949769917.db2.gz	LIAZYXGATHIEFY-FPVGNUTFSA-N	-1	0	307.379	0.505	20	30		DCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1cccc(C#N)c1	ZINC001364836204	950041784	/nfs/dbraw/zinc/04/17/84/950041784.db2.gz	OEJDGYFHHATZEM-SNVBAGLBSA-N	-1	0	323.312	0.570	20	30		DCEDRM
C#CCCCCC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1	ZINC001279355786	950545888	/nfs/dbraw/zinc/54/58/88/950545888.db2.gz	AQADFDZZDTWVFK-BETUJISGSA-N	-1	0	317.393	0.594	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001490591647	950916796	/nfs/dbraw/zinc/91/67/96/950916796.db2.gz	ZWYIUIRJKLFONT-GFCCVEGCSA-N	-1	0	317.393	0.640	20	30		DCEDRM
CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@@H](C)C(=O)[O-]	ZINC001591269407	951108801	/nfs/dbraw/zinc/10/88/01/951108801.db2.gz	ZMSJKMLMABYMFZ-MRVPVSSYSA-N	-1	0	308.294	0.633	20	30		DCEDRM
C=CCCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001281436739	951498656	/nfs/dbraw/zinc/49/86/56/951498656.db2.gz	WKCJTIMDEDXWNU-BDAKNGLRSA-N	-1	0	323.353	0.262	20	30		DCEDRM
C=CC[C@H]([N-]S(=O)(=O)Cc1cc(C)no1)C(=O)OCC	ZINC001320265538	951651498	/nfs/dbraw/zinc/65/14/98/951651498.db2.gz	KKFDVYSUTGWXPG-NSHDSACASA-N	-1	0	302.352	0.910	20	30		DCEDRM
N#C[C@@H]1CCC[C@H](OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001411439717	952146511	/nfs/dbraw/zinc/14/65/11/952146511.db2.gz	JKSKFCJSGULRNY-ZJUUUORDSA-N	-1	0	301.306	0.697	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1	ZINC001411900404	952528193	/nfs/dbraw/zinc/52/81/93/952528193.db2.gz	LBSFBHPOERLDEZ-CHWSQXEVSA-N	-1	0	317.345	0.987	20	30		DCEDRM
CC[C@@]1(C)COCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001411957310	952568303	/nfs/dbraw/zinc/56/83/03/952568303.db2.gz	QSIBSYHAGXQLHA-HNNXBMFYSA-N	-1	0	320.349	0.238	20	30		DCEDRM
C=Cc1ccc(CCNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001412175091	952677733	/nfs/dbraw/zinc/67/77/33/952677733.db2.gz	PWJUPDLKVMVHCQ-UHFFFAOYSA-N	-1	0	324.340	0.822	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC2CCC(F)CC2)c(=O)[n-]c1=O	ZINC001412308829	952742765	/nfs/dbraw/zinc/74/27/65/952742765.db2.gz	NHRFKOABRVAYAV-UHFFFAOYSA-N	-1	0	322.340	0.855	20	30		DCEDRM
CO[C@H](CNC(=O)c1[n-]c(=O)c(C#N)cc1C)[C@H]1CCOC1	ZINC001412329572	952752207	/nfs/dbraw/zinc/75/22/07/952752207.db2.gz	VJYJBXFUIXGYCW-CMPLNLGQSA-N	-1	0	305.334	0.749	20	30		DCEDRM
CCNC(=O)N1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001412382872	952772526	/nfs/dbraw/zinc/77/25/26/952772526.db2.gz	ALALQASJDVEKTM-UHFFFAOYSA-N	-1	0	317.349	0.455	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)C#CC2CC2)c1[O-]	ZINC001337166661	952822146	/nfs/dbraw/zinc/82/21/46/952822146.db2.gz	QJHXXYAZGMPZOZ-SECBINFHSA-N	-1	0	304.350	0.414	20	30		DCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1C[C@@H]2COC[C@@H]2C1	ZINC001338991668	953066789	/nfs/dbraw/zinc/06/67/89/953066789.db2.gz	GQNCCIJSCITLEI-PHIMTYICSA-N	-1	0	316.365	0.653	20	30		DCEDRM
CCc1cnccc1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412755912	953072910	/nfs/dbraw/zinc/07/29/10/953072910.db2.gz	VMXXQFLGMLNJAA-UHFFFAOYSA-N	-1	0	313.317	0.094	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1ccc(N2CCNC2=O)cc1)C(=O)[O-]	ZINC001339865136	953126182	/nfs/dbraw/zinc/12/61/82/953126182.db2.gz	NYLHZKNYQJMBBV-GFCCVEGCSA-N	-1	0	303.318	0.975	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCSC[C@@H]1C	ZINC001340429684	953168263	/nfs/dbraw/zinc/16/82/63/953168263.db2.gz	NBXSNVPSZMKGFP-VIFPVBQESA-N	-1	0	306.395	0.630	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn2c1nc(C)cc2C	ZINC001342603883	953298083	/nfs/dbraw/zinc/29/80/83/953298083.db2.gz	CZGLSRYVQGZWEH-LLVKDONJSA-N	-1	0	315.333	0.431	20	30		DCEDRM
C=CC1CCN(C(=O)NCCOCCOCC(=O)[O-])CC1	ZINC001343133392	953323971	/nfs/dbraw/zinc/32/39/71/953323971.db2.gz	WLGYGOXBJCFJQS-UHFFFAOYSA-N	-1	0	300.355	0.712	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)c1nnn(C(C)(C)C)n1	ZINC001343385922	953342781	/nfs/dbraw/zinc/34/27/81/953342781.db2.gz	OPTMEHYWAIKEBK-QMMMGPOBSA-N	-1	0	301.310	0.367	20	30		DCEDRM
C#CCOCCCOC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C	ZINC001344384989	953479007	/nfs/dbraw/zinc/47/90/07/953479007.db2.gz	WCKPJEPMEDMIJG-NSHDSACASA-N	-1	0	305.396	0.533	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C[C@@H]1CCOC1	ZINC001346516540	953907381	/nfs/dbraw/zinc/90/73/81/953907381.db2.gz	RNOLYFHOFUDCBL-NSHDSACASA-N	-1	0	318.381	0.551	20	30		DCEDRM
CCCCCN(CCCOC)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001348084296	954198136	/nfs/dbraw/zinc/19/81/36/954198136.db2.gz	NTVIOYSNVHOOGQ-UHFFFAOYSA-N	-1	0	308.382	0.978	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1cccc(C#N)c1C	ZINC001593840470	955357040	/nfs/dbraw/zinc/35/70/40/955357040.db2.gz	ZAPXQCOHJYNQJX-UHFFFAOYSA-N	-1	0	304.302	0.957	20	30		DCEDRM
Cn1c(Oc2cc(C(=O)[O-])ccc2F)c(C#N)c(=O)n(C)c1=O	ZINC001594522315	955463167	/nfs/dbraw/zinc/46/31/67/955463167.db2.gz	RFALLIKHBNBPNY-UHFFFAOYSA-N	-1	0	319.248	0.585	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)NCC1CCC(C#N)CC1)C(=O)[O-]	ZINC001589020770	955468624	/nfs/dbraw/zinc/46/86/24/955468624.db2.gz	VXLODMNCVFCUOZ-VOMCLLRMSA-N	-1	0	309.366	0.612	20	30		DCEDRM
Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)NCCCC#N)C2)cn1	ZINC001594539166	955615121	/nfs/dbraw/zinc/61/51/21/955615121.db2.gz	HVRJNATYQHDENY-NEPJUHHUSA-N	-1	0	319.365	0.924	20	30		DCEDRM
COC(=O)c1ccc(CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])nc1	ZINC001593877626	955692707	/nfs/dbraw/zinc/69/27/07/955692707.db2.gz	XCWZLESZTHRDQF-OAHLLOKOSA-N	-1	0	319.317	0.831	20	30		DCEDRM
Cn1ccnc1[C@@H]1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC001594556322	955764153	/nfs/dbraw/zinc/76/41/53/955764153.db2.gz	ZMDFHCOLUFTLKC-JRPNMDOOSA-N	-1	0	320.349	0.761	20	30		DCEDRM
Cn1ncc(C(=O)[O-])c1CN(CCC#N)CCN1CCOCC1	ZINC001594579111	955948711	/nfs/dbraw/zinc/94/87/11/955948711.db2.gz	NZBJDGAFNDBNEA-UHFFFAOYSA-N	-1	0	321.381	0.166	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001353595859	956117238	/nfs/dbraw/zinc/11/72/38/956117238.db2.gz	MRUPGUHIFOPGBW-HAQNSBGRSA-N	-1	0	318.377	0.994	20	30		DCEDRM
N#CC[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(F)(F)F	ZINC001594605663	956169607	/nfs/dbraw/zinc/16/96/07/956169607.db2.gz	GRZUTQKYAVDGDP-SFYZADRCSA-N	-1	0	321.255	0.270	20	30		DCEDRM
CCC[C@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OCC	ZINC001413887080	956263568	/nfs/dbraw/zinc/26/35/68/956263568.db2.gz	QJSUBPRFZZXVHB-SECBINFHSA-N	-1	0	308.338	0.337	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)nc1	ZINC001594621707	956286874	/nfs/dbraw/zinc/28/68/74/956286874.db2.gz	OYDQJKWKUZTSSM-QWHCGFSZSA-N	-1	0	314.345	0.713	20	30		DCEDRM
C[C@](O)(CNc1ncc(C#N)cc1Br)C(=O)[O-]	ZINC001589148490	956322563	/nfs/dbraw/zinc/32/25/63/956322563.db2.gz	UCXHBNSGSPUMBI-JTQLQIEISA-N	-1	0	300.112	0.963	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1CCC[C@](CC)(C(=O)[O-])C1	ZINC001354245410	956324082	/nfs/dbraw/zinc/32/40/82/956324082.db2.gz	YVUBWUOAGNGQNF-KRWDZBQOSA-N	-1	0	318.373	0.575	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1	ZINC001354245411	956325335	/nfs/dbraw/zinc/32/53/35/956325335.db2.gz	YVUBWUOAGNGQNF-QGZVFWFLSA-N	-1	0	318.373	0.575	20	30		DCEDRM
N#Cc1ccncc1N1CCN(C(=O)NCCC(=O)[O-])CC1	ZINC001594631366	956340369	/nfs/dbraw/zinc/34/03/69/956340369.db2.gz	BXXFKLMKRPEJFI-UHFFFAOYSA-N	-1	0	303.322	0.260	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(C[C@H]2CCC3(CCC3)O2)c1=O	ZINC001594633466	956358948	/nfs/dbraw/zinc/35/89/48/956358948.db2.gz	SXLZIGHSLRYJGD-LLVKDONJSA-N	-1	0	319.317	0.068	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001287818985	956483161	/nfs/dbraw/zinc/48/31/61/956483161.db2.gz	OESWCEIAELPENT-SNVBAGLBSA-N	-1	0	324.381	0.233	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)Nc2cccc(C#N)c2)CCO1	ZINC001593977372	956677509	/nfs/dbraw/zinc/67/75/09/956677509.db2.gz	JTBKKVGRCSFCNY-HNNXBMFYSA-N	-1	0	319.317	0.892	20	30		DCEDRM
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCNC(=O)C2N=CC=CC2=O)C1	ZINC001326605460	957326073	/nfs/dbraw/zinc/32/60/73/957326073.db2.gz	BJXPQDGKGMBIDS-KJMGFJKXSA-N	-1	0	321.333	0.130	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC001335693118	957821523	/nfs/dbraw/zinc/82/15/23/957821523.db2.gz	YHXVWGDAHQYIML-NWDGAFQWSA-N	-1	0	310.350	0.113	20	30		DCEDRM
CON=CC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001594042492	957888971	/nfs/dbraw/zinc/88/89/71/957888971.db2.gz	NYYPYHVGIMJRKV-AAEUAGOBSA-N	-1	0	319.317	0.162	20	30		DCEDRM
Cc1cc(C)n(-c2nncn2N=Cc2cccn2CC(=O)[O-])n1	ZINC001594298738	957890444	/nfs/dbraw/zinc/89/04/44/957890444.db2.gz	XPBKWGQPQRSMJU-UHFFFAOYSA-N	-1	0	313.321	0.849	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@@]2(C)CCC(=O)N2)cc1C#N	ZINC001361399599	957928018	/nfs/dbraw/zinc/92/80/18/957928018.db2.gz	UBNTWKJYHMDWSQ-CQSZACIVSA-N	-1	0	320.374	0.779	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC001588389074	958004544	/nfs/dbraw/zinc/00/45/44/958004544.db2.gz	LWWIWZZICGTVJS-XQQFMLRXSA-N	-1	0	324.377	0.100	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1	ZINC001588399873	958076274	/nfs/dbraw/zinc/07/62/74/958076274.db2.gz	PVEXBABCUTZGTL-JTQLQIEISA-N	-1	0	310.306	0.019	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1	ZINC001588400112	958077222	/nfs/dbraw/zinc/07/72/22/958077222.db2.gz	RKJJITGZTWJIOZ-LLVKDONJSA-N	-1	0	318.304	0.725	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1c(C)nc2ncnn2c1C	ZINC001588402551	958093168	/nfs/dbraw/zinc/09/31/68/958093168.db2.gz	XEDMDQAOQPXGAE-UHFFFAOYSA-N	-1	0	315.333	0.220	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(OCCOC)cc1	ZINC001588407142	958097657	/nfs/dbraw/zinc/09/76/57/958097657.db2.gz	HOPPSQAGQKDMSZ-UHFFFAOYSA-N	-1	0	305.330	0.801	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H](n1cccn1)C(F)(F)F	ZINC001588408431	958110129	/nfs/dbraw/zinc/11/01/29/958110129.db2.gz	MNCUIXMECBFGTD-VIFPVBQESA-N	-1	0	318.255	0.716	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCc2ccco2)c(=O)[n-]c1=O	ZINC001361589624	958112793	/nfs/dbraw/zinc/11/27/93/958112793.db2.gz	TWBUQAZNDXKOPH-UHFFFAOYSA-N	-1	0	302.290	0.163	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCNC(=O)c1cccs1	ZINC001588408537	958113321	/nfs/dbraw/zinc/11/33/21/958113321.db2.gz	REGTYOWUQJSKEL-UHFFFAOYSA-N	-1	0	309.347	0.207	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1	ZINC001588408612	958114795	/nfs/dbraw/zinc/11/47/95/958114795.db2.gz	VIXPPTHUYCFQPH-JTQLQIEISA-N	-1	0	321.299	0.600	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1c2c(nn1C)CCCC2	ZINC001588408928	958119338	/nfs/dbraw/zinc/11/93/38/958119338.db2.gz	MUFXESDHUSRYGG-UHFFFAOYSA-N	-1	0	304.350	0.528	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc(N2CCNC2=O)c1	ZINC001588413052	958156594	/nfs/dbraw/zinc/15/65/94/958156594.db2.gz	QHTSZTRCRBFRRW-UHFFFAOYSA-N	-1	0	316.317	0.768	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(CN2CCOCC2)o1	ZINC001588415846	958159588	/nfs/dbraw/zinc/15/95/88/958159588.db2.gz	BKNRRHQOWURWMR-UHFFFAOYSA-N	-1	0	306.318	0.272	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(Br)nn1C	ZINC001588417549	958175919	/nfs/dbraw/zinc/17/59/19/958175919.db2.gz	VKZDPZMREDXQCH-UHFFFAOYSA-N	-1	0	300.112	0.343	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(COC)n1Cc1cc(C)on1	ZINC001588427040	958238480	/nfs/dbraw/zinc/23/84/80/958238480.db2.gz	KQLIPDDSYMZRFM-UHFFFAOYSA-N	-1	0	319.321	0.293	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2cscn2)n1CC	ZINC001588427080	958239623	/nfs/dbraw/zinc/23/96/23/958239623.db2.gz	LRVDROCXWMPFPW-UHFFFAOYSA-N	-1	0	305.363	0.870	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)CC)n1C[C@H]1CCCO1	ZINC001588427168	958242095	/nfs/dbraw/zinc/24/20/95/958242095.db2.gz	PGBQEFVIWKJSKJ-NEPJUHHUSA-N	-1	0	322.365	0.425	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1	ZINC001588432754	958288855	/nfs/dbraw/zinc/28/88/55/958288855.db2.gz	BUNSHYYFIXUVEV-XHBSWPGZSA-N	-1	0	306.362	0.618	20	30		DCEDRM
C#Cc1cnc(N2C[C@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)nc1	ZINC001588439799	958323048	/nfs/dbraw/zinc/32/30/48/958323048.db2.gz	SHEFWPRFUGLEID-BWBHSNQOSA-N	-1	0	315.329	0.548	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588443085	958350732	/nfs/dbraw/zinc/35/07/32/958350732.db2.gz	XXEGHMBSNXMBCR-NNYUYHANSA-N	-1	0	310.350	0.063	20	30		DCEDRM
C=C(C)Cn1c([C@H](O)COC)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588443358	958352064	/nfs/dbraw/zinc/35/20/64/958352064.db2.gz	PQJKZTNXKLBGGO-WDEREUQCSA-N	-1	0	310.354	0.445	20	30		DCEDRM
CN(Cc1cscn1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361838463	958388020	/nfs/dbraw/zinc/38/80/20/958388020.db2.gz	QWVYLJQCTZLKIC-UHFFFAOYSA-N	-1	0	319.346	0.326	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588451099	958405110	/nfs/dbraw/zinc/40/51/10/958405110.db2.gz	LWXVVXQKIJTCGL-NSHDSACASA-N	-1	0	306.318	0.569	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)C(=O)NC[C@H](CC)C(=O)[O-])CC1	ZINC001588458654	958465023	/nfs/dbraw/zinc/46/50/23/958465023.db2.gz	XHEVEHBUTAMAHL-NSHDSACASA-N	-1	0	312.366	0.143	20	30		DCEDRM
C=CCCS(=O)(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588460900	958480910	/nfs/dbraw/zinc/48/09/10/958480910.db2.gz	ZYWZCSQDBJJFKO-AKJDGMEZSA-N	-1	0	303.380	0.894	20	30		DCEDRM
C=CCCOCCNC(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001588460896	958481313	/nfs/dbraw/zinc/48/13/13/958481313.db2.gz	ZMSSENHZEDHVLU-CQSZACIVSA-N	-1	0	316.354	0.091	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC001588465664	958506866	/nfs/dbraw/zinc/50/68/66/958506866.db2.gz	WONNDHKQKBJWAY-UHFFFAOYSA-N	-1	0	320.301	0.862	20	30		DCEDRM
C=CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1[C@]1(OC)CCOC1	ZINC001588471574	958535423	/nfs/dbraw/zinc/53/54/23/958535423.db2.gz	BDSHXXKCURZRML-ABAIWWIYSA-N	-1	0	322.365	0.637	20	30		DCEDRM
C=CCn1c([C@@H](O)COC)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588471995	958539195	/nfs/dbraw/zinc/53/91/95/958539195.db2.gz	HKNDKQQVZYGOPN-IINYFYTJSA-N	-1	0	310.354	0.445	20	30		DCEDRM
C=CCn1c(Cc2nc(C)no2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588472937	958548351	/nfs/dbraw/zinc/54/83/51/958548351.db2.gz	VAJWSRZURKPUCT-JTQLQIEISA-N	-1	0	318.337	0.657	20	30		DCEDRM
COc1cccc([C@H](C#N)NC(=O)[C@@](C)(OC)C(=O)[O-])c1OC	ZINC001594121781	958603296	/nfs/dbraw/zinc/60/32/96/958603296.db2.gz	JFJQIBYHCSLDFL-ZUZCIYMTSA-N	-1	0	322.317	0.874	20	30		DCEDRM
CNC(=O)CC1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001362068187	958687828	/nfs/dbraw/zinc/68/78/28/958687828.db2.gz	KZBCNKKKSHWSAP-UHFFFAOYSA-N	-1	0	316.361	0.956	20	30		DCEDRM
CN(C[C@@H]1CCCOC1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362162030	958851139	/nfs/dbraw/zinc/85/11/39/958851139.db2.gz	UPTQEBDJWCQALR-NSHDSACASA-N	-1	0	320.349	0.096	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(N2CN=NC2=O)CC1	ZINC001588534422	958921364	/nfs/dbraw/zinc/92/13/64/958921364.db2.gz	GDPNFHKELGJQRZ-ZDUSSCGKSA-N	-1	0	307.310	0.152	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1COc2ccccc2[C@H]1O	ZINC001588538317	958940663	/nfs/dbraw/zinc/94/06/63/958940663.db2.gz	GTHPOKFJVIUJOD-WDBKCZKBSA-N	-1	0	304.302	0.602	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nc(-c2ccccn2)n[nH]1	ZINC001588541819	958966079	/nfs/dbraw/zinc/96/60/79/958966079.db2.gz	MVSINTABPQLOPV-AWEZNQCLSA-N	-1	0	314.305	0.487	20	30		DCEDRM
CC(C)[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001362233310	958972391	/nfs/dbraw/zinc/97/23/91/958972391.db2.gz	LGNYPGZIPAKDAP-GFCCVEGCSA-N	-1	0	320.349	0.094	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC001362362586	959214958	/nfs/dbraw/zinc/21/49/58/959214958.db2.gz	MTTXAQJBRHFCFX-ZDUSSCGKSA-N	-1	0	301.285	0.153	20	30		DCEDRM
C[C@]1(C#N)CCN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1	ZINC001573644469	959632931	/nfs/dbraw/zinc/63/29/31/959632931.db2.gz	ZERJXVJJSDJXAU-IAQYHMDHSA-N	-1	0	322.365	0.397	20	30		DCEDRM
CCCn1ccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001362642511	959753801	/nfs/dbraw/zinc/75/38/01/959753801.db2.gz	GTUOONJRZQKMLQ-UHFFFAOYSA-N	-1	0	315.333	0.348	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cc1O	ZINC001362676535	959811577	/nfs/dbraw/zinc/81/15/77/959811577.db2.gz	YNUQIHPFKWARMO-SNVBAGLBSA-N	-1	0	316.346	0.707	20	30		DCEDRM
CC1(C)[C@@H](CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1(F)F	ZINC001362699302	959853192	/nfs/dbraw/zinc/85/31/92/959853192.db2.gz	KQAYFKVGBAURSF-MRVPVSSYSA-N	-1	0	312.276	0.228	20	30		DCEDRM
N#Cc1ccc2c(c1)CCN2C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362732082	959905338	/nfs/dbraw/zinc/90/53/38/959905338.db2.gz	ZGZWLHZLHNEHHY-UHFFFAOYSA-N	-1	0	321.296	0.282	20	30		DCEDRM
CC(C)(CCCO)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362741561	959919069	/nfs/dbraw/zinc/91/90/69/959919069.db2.gz	NLWNHXPLUKDVFY-UHFFFAOYSA-N	-1	0	322.365	0.126	20	30		DCEDRM
C=CCN1C(=O)C(=O)N(CC(=O)[N-]Oc2ccccc2F)C1=O	ZINC001303332834	960049448	/nfs/dbraw/zinc/04/94/48/960049448.db2.gz	PNTFQPVYYCDTKT-UHFFFAOYSA-N	-1	0	321.264	0.213	20	30		DCEDRM
CC1(C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC(C)(C)O1	ZINC001362923738	960182548	/nfs/dbraw/zinc/18/25/48/960182548.db2.gz	FCMLUWZFQVUDJZ-UHFFFAOYSA-N	-1	0	320.349	0.237	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC001362975948	960249572	/nfs/dbraw/zinc/24/95/72/960249572.db2.gz	XLFIDQQJAFZSPX-JTQLQIEISA-N	-1	0	303.351	0.340	20	30		DCEDRM
CC1=C(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCCO1	ZINC001363001994	960282268	/nfs/dbraw/zinc/28/22/68/960282268.db2.gz	OHKDTMQBMOAJLR-UHFFFAOYSA-N	-1	0	304.306	0.021	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC(Nc2ccnc(C(=O)[O-])n2)CC1	ZINC001571079590	960981469	/nfs/dbraw/zinc/98/14/69/960981469.db2.gz	IDRVBOKFMYDFHO-SECBINFHSA-N	-1	0	303.322	0.159	20	30		DCEDRM
COc1ncc(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)cc1C#N	ZINC001571084975	961043899	/nfs/dbraw/zinc/04/38/99/961043899.db2.gz	SHLQNISSJHHUTM-AVPPRXQKSA-N	-1	0	305.290	0.779	20	30		DCEDRM
COc1ncc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1C#N	ZINC001571091905	961112645	/nfs/dbraw/zinc/11/26/45/961112645.db2.gz	LJJIGLKUDWYDNZ-ZDUSSCGKSA-N	-1	0	306.278	0.015	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2coc(C#N)c2)C1	ZINC001571092488	961122568	/nfs/dbraw/zinc/12/25/68/961122568.db2.gz	QRVCYOVXZPCRRD-KWQFWETISA-N	-1	0	306.274	0.630	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@]23C[C@H]2CCCC3)c(=O)[n-]c1=O	ZINC001363435484	961144701	/nfs/dbraw/zinc/14/47/01/961144701.db2.gz	NAOSWRVWQWHCTM-ABAIWWIYSA-N	-1	0	302.334	0.517	20	30		DCEDRM
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363434341	961145987	/nfs/dbraw/zinc/14/59/87/961145987.db2.gz	JHNSEFFOHADRMN-AAXDQBDMSA-N	-1	0	316.361	0.619	20	30		DCEDRM
CCN(CCC#N)C(=O)CN[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC001571097059	961182793	/nfs/dbraw/zinc/18/27/93/961182793.db2.gz	VDNOTULNYXPLQU-AWEZNQCLSA-N	-1	0	307.354	0.078	20	30		DCEDRM
CCC1=C(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCCO1	ZINC001363481123	961242141	/nfs/dbraw/zinc/24/21/41/961242141.db2.gz	DUICANBFIWFGDR-UHFFFAOYSA-N	-1	0	318.333	0.411	20	30		DCEDRM
CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363482274	961246149	/nfs/dbraw/zinc/24/61/49/961246149.db2.gz	KDJKFHOUWDPEKN-GHMZBOCLSA-N	-1	0	304.350	0.619	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)nc1	ZINC001571106868	961289242	/nfs/dbraw/zinc/28/92/42/961289242.db2.gz	SAWRQUYDQOLFKY-KWQFWETISA-N	-1	0	310.260	0.447	20	30		DCEDRM
N#Cc1ccc(CNC(=O)Cn2cccc(C(=O)[O-])c2=O)nc1	ZINC001571112569	961356128	/nfs/dbraw/zinc/35/61/28/961356128.db2.gz	OINDEBSZHKIRJB-UHFFFAOYSA-N	-1	0	312.285	0.130	20	30		DCEDRM
CC[C@@H]1C(=O)NCCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363598970	961528262	/nfs/dbraw/zinc/52/82/62/961528262.db2.gz	MNXJCOQQZGUBOH-LLVKDONJSA-N	-1	0	302.334	0.708	20	30		DCEDRM
C[C@@H]1CN(C(=O)NCCc2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001571132640	961573058	/nfs/dbraw/zinc/57/30/58/961573058.db2.gz	FEEGEEIFGZEEBT-RISCZKNCSA-N	-1	0	317.345	0.984	20	30		DCEDRM
N#CC1(NC(=O)c2cccn(CC(=O)[O-])c2=O)CCSCC1	ZINC001574481012	961669059	/nfs/dbraw/zinc/66/90/59/961669059.db2.gz	SSWWWUWTMNTYRL-UHFFFAOYSA-N	-1	0	321.358	0.452	20	30		DCEDRM
N#Cc1c(F)cc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1F	ZINC001571145309	961729672	/nfs/dbraw/zinc/72/96/72/961729672.db2.gz	RVCVIOFZQMZVRA-GFCCVEGCSA-N	-1	0	320.255	0.985	20	30		DCEDRM
Cn1c(=O)[n-]c(Sc2n[nH]c(C(C)(C)C)n2)c(C#N)c1=O	ZINC001363723652	961765965	/nfs/dbraw/zinc/76/59/65/961765965.db2.gz	ALIXPPYNBDRLKJ-UHFFFAOYSA-N	-1	0	306.351	0.512	20	30		DCEDRM
COc1ccccc1[C@@H]1C[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363741684	961792303	/nfs/dbraw/zinc/79/23/03/961792303.db2.gz	FQSKWNNHBQXTBR-CMPLNLGQSA-N	-1	0	312.329	0.922	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(c1cc(C#N)ncn1)C[C@H]2C(=O)[O-]	ZINC001574047077	962124451	/nfs/dbraw/zinc/12/44/51/962124451.db2.gz	KHVVVQCFZDWTOJ-UQACVICXSA-N	-1	0	316.317	0.438	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC001574056325	962187827	/nfs/dbraw/zinc/18/78/27/962187827.db2.gz	ZFASMTNROVHRHK-AWEZNQCLSA-N	-1	0	320.301	0.068	20	30		DCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H](O)c1ccccc1	ZINC001364195572	962651282	/nfs/dbraw/zinc/65/12/82/962651282.db2.gz	RJAYAVNSGZUMFG-BXKDBHETSA-N	-1	0	300.318	0.479	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)c2cc(C(=O)[O-])on2)n1	ZINC001573312062	962718310	/nfs/dbraw/zinc/71/83/10/962718310.db2.gz	MEHDYPWYQGMWAG-UHFFFAOYSA-N	-1	0	302.290	0.865	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)CNC(=O)[O-])[C@H]1C	ZINC001573321125	962754923	/nfs/dbraw/zinc/75/49/23/962754923.db2.gz	INMNXGXHPBPVGN-WDEREUQCSA-N	-1	0	311.382	0.962	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1	ZINC001573326613	962806628	/nfs/dbraw/zinc/80/66/28/962806628.db2.gz	ZDSZWEOFZDDEGD-NSHDSACASA-N	-1	0	301.364	0.586	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O	ZINC001573332482	962835850	/nfs/dbraw/zinc/83/58/50/962835850.db2.gz	KAWYPLBCIHHGQY-NSHDSACASA-N	-1	0	320.349	0.453	20	30		DCEDRM
C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CNC(=O)[O-])C[C@@H]2C)CC1	ZINC001573344052	962911771	/nfs/dbraw/zinc/91/17/71/962911771.db2.gz	MWOHNJITCQNPKG-WCQYABFASA-N	-1	0	323.393	0.964	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCC(CNC(=O)CNC(=O)[O-])CC1	ZINC001573345589	962935791	/nfs/dbraw/zinc/93/57/91/962935791.db2.gz	XBPYABMUDXXAJD-UHFFFAOYSA-N	-1	0	311.382	0.821	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H](NC(=O)CNC(=O)[O-])C1CC1	ZINC001573346436	962937211	/nfs/dbraw/zinc/93/72/11/962937211.db2.gz	ACQWIEDVAIJDDX-IAQYHMDHSA-N	-1	0	311.382	0.867	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@H]1CC12CCN(C(=O)CNC(=O)[O-])CC2	ZINC001573347798	962950384	/nfs/dbraw/zinc/95/03/84/962950384.db2.gz	OFGBZACDYGTFSI-NSHDSACASA-N	-1	0	323.393	0.964	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	ZINC001364363219	962964195	/nfs/dbraw/zinc/96/41/95/962964195.db2.gz	AENNZKMUCONOAB-PHIMTYICSA-N	-1	0	321.358	0.084	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C(=O)[O-]	ZINC001573358373	963026029	/nfs/dbraw/zinc/02/60/29/963026029.db2.gz	YTJHQMJCWRBEQE-ZJUUUORDSA-N	-1	0	308.338	0.472	20	30		DCEDRM
C=CCN(C)CCN(CC)S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001573360839	963044347	/nfs/dbraw/zinc/04/43/47/963044347.db2.gz	YWXUSRYSELMVSU-UHFFFAOYSA-N	-1	0	304.412	0.621	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCC[C@@H](NC(=O)CNC(=O)[O-])C1	ZINC001573369396	963097144	/nfs/dbraw/zinc/09/71/44/963097144.db2.gz	SGKODNAIYPPBSB-MNOVXSKESA-N	-1	0	313.354	0.000	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001573377872	963105460	/nfs/dbraw/zinc/10/54/60/963105460.db2.gz	AZSHARUISUKFNW-WDEREUQCSA-N	-1	0	319.379	0.116	20	30		DCEDRM
CNC(=O)[C@]1(C)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001448610273	1013966614	/nfs/dbraw/zinc/96/66/14/1013966614.db2.gz	FIIZXQGBARMEME-OAHLLOKOSA-N	-1	0	302.334	0.566	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(Oc2cnccn2)CC1	ZINC001609691240	970447221	/nfs/dbraw/zinc/44/72/21/970447221.db2.gz	GDDCNNSEHCZEIY-HNNXBMFYSA-N	-1	0	318.333	0.851	20	30		DCEDRM
C=C(C)C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)OC	ZINC001475577931	1017123387	/nfs/dbraw/zinc/12/33/87/1017123387.db2.gz	CSUCVJQZGBDBQD-JTQLQIEISA-N	-1	0	324.424	0.590	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(C#N)cn2)C1	ZINC001604534807	973503163	/nfs/dbraw/zinc/50/31/63/973503163.db2.gz	YZMVXPUAJORQCK-CQSZACIVSA-N	-1	0	304.306	0.908	20	30		DCEDRM
Cn1nccc1[C@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC001605569625	973823480	/nfs/dbraw/zinc/82/34/80/973823480.db2.gz	FSHUXMSALOPEIZ-BXUZGUMPSA-N	-1	0	306.322	0.325	20	30		DCEDRM
N#CC[C@H]1CCCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001605581750	973861066	/nfs/dbraw/zinc/86/10/66/973861066.db2.gz	KVNXBEKFSKFCPR-VXGBXAGGSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CCCN1CCN(C(=O)C2(CC(=O)[O-])CCOCC2)CC1	ZINC001605586326	973881097	/nfs/dbraw/zinc/88/10/97/973881097.db2.gz	SWVNTCYCBLPYFW-UHFFFAOYSA-N	-1	0	309.366	0.316	20	30		DCEDRM
N#CCc1ccsc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001605601552	973904720	/nfs/dbraw/zinc/90/47/20/973904720.db2.gz	RWRZYWQAVDERTO-UHFFFAOYSA-N	-1	0	307.331	0.183	20	30		DCEDRM
N#CCc1cccc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)c1	ZINC001605601563	973904843	/nfs/dbraw/zinc/90/48/43/973904843.db2.gz	SLGXTUUUJYNKCX-LBPRGKRZSA-N	-1	0	302.286	0.595	20	30		DCEDRM
N#Cc1ccc(CC(=O)NCCOCCOCC(=O)[O-])cc1	ZINC001605602046	973910650	/nfs/dbraw/zinc/91/06/50/973910650.db2.gz	MZDOWNWOCWDNCO-UHFFFAOYSA-N	-1	0	306.318	0.335	20	30		DCEDRM
N#Cc1ccc(N2CC[C@@H](OC(=O)COCC(=O)[O-])C2=O)cc1	ZINC001605611355	973919294	/nfs/dbraw/zinc/91/92/94/973919294.db2.gz	UMWLYHDSWCBHAD-GFCCVEGCSA-N	-1	0	318.285	0.308	20	30		DCEDRM
C#CCCN(CCOC)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000712810761	977601222	/nfs/dbraw/zinc/60/12/22/977601222.db2.gz	GPVRGXBVLOEZIG-NEPJUHHUSA-N	-1	0	303.380	0.541	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1c(C)csc1C(=O)[O-]	ZINC000717785461	977919214	/nfs/dbraw/zinc/91/92/14/977919214.db2.gz	XQHJSCLGWLSPGD-VIFPVBQESA-N	-1	0	317.388	0.807	20	30		DCEDRM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(C#N)ccn2)CC1	ZINC001592415825	978014419	/nfs/dbraw/zinc/01/44/19/978014419.db2.gz	PSHXKDCYJFIOBX-NSHDSACASA-N	-1	0	302.334	0.574	20	30		DCEDRM
C[C@](CCF)(NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC001592507978	978331350	/nfs/dbraw/zinc/33/13/50/978331350.db2.gz	QRGAMHOMLPCRTP-LLVKDONJSA-N	-1	0	301.299	0.434	20	30		DCEDRM
CC[C@](COC)(NC(=O)c1cnn(CCC#N)c1C)C(=O)[O-]	ZINC001595195250	979912050	/nfs/dbraw/zinc/91/20/50/979912050.db2.gz	XVHPGPKZKMIZTG-CQSZACIVSA-N	-1	0	308.338	0.715	20	30		DCEDRM
CC(Cn1nc(C)cc1C)=NO[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001592929569	979958453	/nfs/dbraw/zinc/95/84/53/979958453.db2.gz	JLHDUWLLEOXVEK-ZDUSSCGKSA-N	-1	0	322.365	0.968	20	30		DCEDRM
CCC[C@@H](O)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001595607409	981601998	/nfs/dbraw/zinc/60/19/98/981601998.db2.gz	KCUDSVSXIFILON-SNVBAGLBSA-N	-1	0	312.347	0.696	20	30		DCEDRM
Cc1ccoc1C([O-])=C(C#N)C(=O)N1CCS(=O)(=O)CC1	ZINC001523842896	1014778843	/nfs/dbraw/zinc/77/88/43/1014778843.db2.gz	NYBUJGXBJDSQRK-SNVBAGLBSA-N	-1	0	310.331	0.168	20	30		DCEDRM
Cn1nc2c(c1C([O-])=C(C#N)C(=O)NC1CC1)CSCC2	ZINC001523933691	1014805282	/nfs/dbraw/zinc/80/52/82/1014805282.db2.gz	OKUNODZMUCISKU-SECBINFHSA-N	-1	0	304.375	0.810	20	30		DCEDRM
CCCCC[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)[O-]	ZINC001595683361	982171438	/nfs/dbraw/zinc/17/14/38/982171438.db2.gz	PRXRHFOLUQCLQL-GHMZBOCLSA-N	-1	0	319.383	0.079	20	30		DCEDRM
Cc1[nH]nc(S(=O)(=O)NCC2(C#N)CCCC2)c1C(=O)[O-]	ZINC001574182916	983185883	/nfs/dbraw/zinc/18/58/83/983185883.db2.gz	TZPYQXXPUIYOCS-UHFFFAOYSA-N	-1	0	312.351	0.779	20	30		DCEDRM
N#CC[C@@]1(O)CCN(C(=O)Nc2nc(CC(=O)[O-])cs2)C1	ZINC001574242639	983201795	/nfs/dbraw/zinc/20/17/95/983201795.db2.gz	XMINUBKMWPMMAL-GFCCVEGCSA-N	-1	0	310.335	0.653	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588368409	983305475	/nfs/dbraw/zinc/30/54/75/983305475.db2.gz	MEULNPSLLWETEL-SECBINFHSA-N	-1	0	306.322	0.121	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1	ZINC001588370380	983318724	/nfs/dbraw/zinc/31/87/24/983318724.db2.gz	BKYQYDVYVIOICS-QMMMGPOBSA-N	-1	0	312.709	0.919	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001588383869	983385155	/nfs/dbraw/zinc/38/51/55/983385155.db2.gz	NTMPHKOTRKSIAP-JTQLQIEISA-N	-1	0	310.331	0.111	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC001588384098	983386968	/nfs/dbraw/zinc/38/69/68/983386968.db2.gz	VIGKEJGTWBHUPD-VIFPVBQESA-N	-1	0	313.331	0.563	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)Nc1sc(C)cc1C(=O)[O-]	ZINC001588393480	983398039	/nfs/dbraw/zinc/39/80/39/983398039.db2.gz	GKRFKHSSWAIFLX-SECBINFHSA-N	-1	0	324.358	0.848	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001588394690	983403402	/nfs/dbraw/zinc/40/34/02/983403402.db2.gz	NKAVKKDEYHGXGU-GHMZBOCLSA-N	-1	0	300.380	0.484	20	30		DCEDRM
C#CC[C@H](NC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C)C(=O)[O-]	ZINC001588399826	983416958	/nfs/dbraw/zinc/41/69/58/983416958.db2.gz	XPOXIYFNQBQTEX-UWVGGRQHSA-N	-1	0	303.322	0.156	20	30		DCEDRM
C#CC[C@H](NC(=O)CNC(=O)NCc1ccc(C)cc1)C(=O)[O-]	ZINC001588405749	983422619	/nfs/dbraw/zinc/42/26/19/983422619.db2.gz	SVRSVFRCCVRRMG-ZDUSSCGKSA-N	-1	0	317.345	0.387	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CSCN1C(=O)/C(C)=C/CC)C(=O)[O-]	ZINC001588407378	983428438	/nfs/dbraw/zinc/42/84/38/983428438.db2.gz	ZGXUJQCHSYUPQG-RBWIOGKGSA-N	-1	0	324.402	0.837	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1nn(CC)c2ccccc2c1=O)C(=O)[O-]	ZINC001588421362	983440588	/nfs/dbraw/zinc/44/05/88/983440588.db2.gz	HRBOJLVFEUTBJL-LLVKDONJSA-N	-1	0	313.313	0.623	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C(=O)OC	ZINC001588428625	983462963	/nfs/dbraw/zinc/46/29/63/983462963.db2.gz	VMPIPPNGYAYTJZ-SSDOTTSWSA-N	-1	0	317.344	0.290	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc(OC)c1OC)C(=O)[O-]	ZINC001588428681	983463444	/nfs/dbraw/zinc/46/34/44/983463444.db2.gz	XJFSPZBCLKWCNO-VIFPVBQESA-N	-1	0	313.331	0.459	20	30		DCEDRM
C#CCCS(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C	ZINC001588457835	983482526	/nfs/dbraw/zinc/48/25/26/983482526.db2.gz	HUDIAVGNECVXSN-MFKMUULPSA-N	-1	0	303.380	0.588	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC001588468065	983500128	/nfs/dbraw/zinc/50/01/28/983500128.db2.gz	MOPYZWBFIPYEDR-JTQLQIEISA-N	-1	0	319.379	0.314	20	30		DCEDRM
N#CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccn1	ZINC001530819525	1014951420	/nfs/dbraw/zinc/95/14/20/1014951420.db2.gz	CSAVSUHNSZZOLU-UHFFFAOYSA-N	-1	0	309.289	0.023	20	30		DCEDRM
C#CCN(Cc1cncc(C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC001588471651	983507184	/nfs/dbraw/zinc/50/71/84/983507184.db2.gz	VFWIWLRKERTCDO-ZDUSSCGKSA-N	-1	0	308.359	0.402	20	30		DCEDRM
C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1	ZINC001588476997	983513538	/nfs/dbraw/zinc/51/35/38/983513538.db2.gz	IZYIMCMIRDTUGO-NSHDSACASA-N	-1	0	312.347	0.354	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588478715	983517901	/nfs/dbraw/zinc/51/79/01/983517901.db2.gz	JFAMBQVTPWBUAD-SNVBAGLBSA-N	-1	0	322.292	0.353	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1c(C)csc1C(=O)[O-]	ZINC001588491934	983537921	/nfs/dbraw/zinc/53/79/21/983537921.db2.gz	ZUGBHWTZLVGEPL-UHFFFAOYSA-N	-1	0	303.361	0.683	20	30		DCEDRM
C#CCSCC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588505170	983549858	/nfs/dbraw/zinc/54/98/58/983549858.db2.gz	XHPUIUXRIHUSMG-SNVBAGLBSA-N	-1	0	308.363	0.506	20	30		DCEDRM
C#CCSCC(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001588506480	983551935	/nfs/dbraw/zinc/55/19/35/983551935.db2.gz	RVHSCOCSVINZSV-SNVBAGLBSA-N	-1	0	313.375	0.608	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)[O-])cn1	ZINC001588510321	983555069	/nfs/dbraw/zinc/55/50/69/983555069.db2.gz	AGAGILVCRZEYSG-WCQYABFASA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1ccc(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC001588516914	983563279	/nfs/dbraw/zinc/56/32/79/983563279.db2.gz	HOWPDQIROFARBE-ZIAGYGMSSA-N	-1	0	302.330	0.957	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CN1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588536157	983592673	/nfs/dbraw/zinc/59/26/73/983592673.db2.gz	UXPLCDRCCJTGSP-KQSJRHEJSA-N	-1	0	308.334	0.609	20	30		DCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588536391	983593566	/nfs/dbraw/zinc/59/35/66/983593566.db2.gz	AWADFBXAVHSMED-LLVKDONJSA-N	-1	0	324.358	0.862	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001588536503	983594289	/nfs/dbraw/zinc/59/42/89/983594289.db2.gz	XXEGHMBSNXMBCR-DDHJBXDOSA-N	-1	0	310.350	0.063	20	30		DCEDRM
C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C[C@@H]2C1	ZINC001588554560	983631180	/nfs/dbraw/zinc/63/11/80/983631180.db2.gz	JIBOZSYSWNBSEL-CRWXNKLISA-N	-1	0	320.389	0.980	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cccnc1OC)C(=O)[O-]	ZINC001588555324	983634228	/nfs/dbraw/zinc/63/42/28/983634228.db2.gz	FNSGAPFAHDJKHY-SECBINFHSA-N	-1	0	300.336	0.788	20	30		DCEDRM
C=C(C)CCN1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])CCO2	ZINC001588558947	983639070	/nfs/dbraw/zinc/63/90/70/983639070.db2.gz	FXHXMBNOCRBYCJ-OLZOCXBDSA-N	-1	0	308.378	0.587	20	30		DCEDRM
C=C(C)COCCn1nnnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001588573629	983653636	/nfs/dbraw/zinc/65/36/36/983653636.db2.gz	SAFGLAUNFSNEOX-WFASDCNBSA-N	-1	0	321.381	0.957	20	30		DCEDRM
CCN(CCC#N)C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001596299644	983725272	/nfs/dbraw/zinc/72/52/72/983725272.db2.gz	RYSVAZSMDDLEIH-UHFFFAOYSA-N	-1	0	321.337	0.403	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC001596299928	983727487	/nfs/dbraw/zinc/72/74/87/983727487.db2.gz	IYDZVVMOIVVEGL-GHMZBOCLSA-N	-1	0	319.383	0.079	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC1CCN(c2ncccn2)CC1	ZINC001588623712	983728872	/nfs/dbraw/zinc/72/88/72/983728872.db2.gz	VBVMOSFCDSJKCB-UHFFFAOYSA-N	-1	0	304.350	0.983	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCN1C[C@H]2CCCCN2C1=O	ZINC001588624308	983731141	/nfs/dbraw/zinc/73/11/41/983731141.db2.gz	DSTGKIUJIACRSQ-GFCCVEGCSA-N	-1	0	309.366	0.814	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cccc(OCC(=O)NC)c1	ZINC001588629615	983738228	/nfs/dbraw/zinc/73/82/28/983738228.db2.gz	GKVMSZXQGBZMLQ-UHFFFAOYSA-N	-1	0	320.345	0.849	20	30		DCEDRM
C=C(CO)C(=O)N(CC(=O)[O-])Cc1cc(OC)cc(OC)c1	ZINC001588636978	983758016	/nfs/dbraw/zinc/75/80/16/983758016.db2.gz	BGISUWJWGQJOAB-UHFFFAOYSA-N	-1	0	309.318	0.666	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccncc1C#N	ZINC001596333845	983774183	/nfs/dbraw/zinc/77/41/83/983774183.db2.gz	WOWZCODVUPIOJZ-VXGBXAGGSA-N	-1	0	302.334	0.616	20	30		DCEDRM
C=C[C@H](C(=O)[O-])N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1	ZINC001588669701	983814569	/nfs/dbraw/zinc/81/45/69/983814569.db2.gz	NSWLSRZDDHJHTL-GXTWGEPZSA-N	-1	0	309.410	0.691	20	30		DCEDRM
C=C[C@H](C(=O)[O-])n1cc(CN2CCCC[C@H]2C(=O)OC)nn1	ZINC001588672542	983826180	/nfs/dbraw/zinc/82/61/80/983826180.db2.gz	VUJXPNQAUPAWMO-NEPJUHHUSA-N	-1	0	308.338	0.617	20	30		DCEDRM
C=C[C@H](Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)[O-]	ZINC001588702334	983919955	/nfs/dbraw/zinc/91/99/55/983919955.db2.gz	QIGIINNPWWSXQE-WZRBSPASSA-N	-1	0	322.365	0.570	20	30		DCEDRM
C=CC[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1ccncc1	ZINC001588742730	984034368	/nfs/dbraw/zinc/03/43/68/984034368.db2.gz	KGAXIMDSYUYIBU-JHJVBQTASA-N	-1	0	317.345	0.794	20	30		DCEDRM
C=CC[C@H]1NC(=O)N([C@@H]2CCCn3nc(C(=O)[O-])cc32)C1=O	ZINC001588773620	984148238	/nfs/dbraw/zinc/14/82/38/984148238.db2.gz	BRLIKSNISHYQRJ-PSASIEDQSA-N	-1	0	304.306	0.913	20	30		DCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588782301	984170982	/nfs/dbraw/zinc/17/09/82/984170982.db2.gz	BVBZMOBCICEADK-NWDGAFQWSA-N	-1	0	312.366	0.550	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)CN1CCCCC(=O)C1=O)C(=O)[O-]	ZINC001588788949	984195528	/nfs/dbraw/zinc/19/55/28/984195528.db2.gz	SNOCVXCGKJNISS-LLVKDONJSA-N	-1	0	310.350	0.494	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C(=O)OC	ZINC001588797932	984232467	/nfs/dbraw/zinc/23/24/67/984232467.db2.gz	OHOLCWJSALITNO-JTQLQIEISA-N	-1	0	319.379	0.811	20	30		DCEDRM
C=CCCCN(CC)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001588801690	984247157	/nfs/dbraw/zinc/24/71/57/984247157.db2.gz	UONCOBJRHHSMJU-NEPJUHHUSA-N	-1	0	312.366	0.095	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001588805923	984256636	/nfs/dbraw/zinc/25/66/36/984256636.db2.gz	SAUKDFFZLRITQM-JTQLQIEISA-N	-1	0	307.368	0.478	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588844868	984360616	/nfs/dbraw/zinc/36/06/16/984360616.db2.gz	YAACEFYIFYUZOA-VIFPVBQESA-N	-1	0	321.337	0.018	20	30		DCEDRM
C=CCOCC(=O)N[C@]1(C)CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001588850997	984381771	/nfs/dbraw/zinc/38/17/71/984381771.db2.gz	OFSSNKONDCYOPY-OAHLLOKOSA-N	-1	0	320.349	0.462	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)/C=C/COC1CCOCC1)C(=O)[O-]	ZINC001588853751	984385583	/nfs/dbraw/zinc/38/55/83/984385583.db2.gz	HHNAAQWDYOSLKV-ITDFMYJTSA-N	-1	0	313.350	0.510	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1COc2ccc(O)cc2O1)C(=O)[O-]	ZINC001588856417	984399979	/nfs/dbraw/zinc/39/99/79/984399979.db2.gz	YUZSGFLMNPDORF-MFKMUULPSA-N	-1	0	323.301	0.304	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC001588856973	984402499	/nfs/dbraw/zinc/40/24/99/984402499.db2.gz	UHKFWKDUGGDQSW-GFCCVEGCSA-N	-1	0	324.289	0.746	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)C(=O)[O-]	ZINC001588859569	984406625	/nfs/dbraw/zinc/40/66/25/984406625.db2.gz	QCVWECKVZMDOTJ-CYBMUJFWSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)[C@H]1CCC[C@H]1OC)C(=O)[O-]	ZINC001588865802	984420184	/nfs/dbraw/zinc/42/01/84/984420184.db2.gz	BNADSGQHIOAOKG-MXWKQRLJSA-N	-1	0	307.368	0.129	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)[O-])cn1	ZINC001588878831	984455476	/nfs/dbraw/zinc/45/54/76/984455476.db2.gz	KVGCQJXGYTVGIS-UHFFFAOYSA-N	-1	0	313.335	0.502	20	30		DCEDRM
C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588889712	984481386	/nfs/dbraw/zinc/48/13/86/984481386.db2.gz	BELOOOWTGQWYSB-AWEZNQCLSA-N	-1	0	317.353	0.561	20	30		DCEDRM
C=CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588895596	984494300	/nfs/dbraw/zinc/49/43/00/984494300.db2.gz	JFXVFPWWRDCLBI-OAHLLOKOSA-N	-1	0	321.381	0.903	20	30		DCEDRM
C=CCn1c([C@H](CC)CO)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001588896576	984502549	/nfs/dbraw/zinc/50/25/49/984502549.db2.gz	SHKXUIWQMISQCU-VXGBXAGGSA-N	-1	0	324.381	0.630	20	30		DCEDRM
C=CCn1c(N2CC[C@](OC)(C(=O)[O-])C2)nnc1[C@@](C)(O)CC	ZINC001588904071	984526686	/nfs/dbraw/zinc/52/66/86/984526686.db2.gz	GDJHMFQWYAWHKD-LSDHHAIUSA-N	-1	0	324.381	0.762	20	30		DCEDRM
C=CCn1nnnc1N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	ZINC001588912804	984552489	/nfs/dbraw/zinc/55/24/89/984552489.db2.gz	OXFKWAHOXPGCHL-SFYZADRCSA-N	-1	0	305.260	0.949	20	30		DCEDRM
C=C[C@H](CO)NC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC001588919178	984569674	/nfs/dbraw/zinc/56/96/74/984569674.db2.gz	AAJCKDNZRDJMGQ-LLVKDONJSA-N	-1	0	321.333	0.560	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588926041	984591079	/nfs/dbraw/zinc/59/10/79/984591079.db2.gz	GWKWXNMIDJIQFE-MNOVXSKESA-N	-1	0	320.349	0.490	20	30		DCEDRM
CC#CCCCC(=O)NCCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588927413	984598700	/nfs/dbraw/zinc/59/87/00/984598700.db2.gz	WZHGBUIXJMTJNQ-OLZOCXBDSA-N	-1	0	308.378	0.865	20	30		DCEDRM
CC(=O)N1CC[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001589087235	985264839	/nfs/dbraw/zinc/26/48/39/985264839.db2.gz	RCWCZVDYYCCZSD-LLVKDONJSA-N	-1	0	308.338	0.007	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC(CNc2ccnc(C(=O)[O-])n2)CC1	ZINC001589323803	986149835	/nfs/dbraw/zinc/14/98/35/986149835.db2.gz	NQEBWNKZCRZJQQ-JTQLQIEISA-N	-1	0	317.349	0.407	20	30		DCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C	ZINC001589330607	986175728	/nfs/dbraw/zinc/17/57/28/986175728.db2.gz	KXOMUABJCGZTON-SECBINFHSA-N	-1	0	318.333	0.665	20	30		DCEDRM
C[C@@H](C(=O)N(C)CCC#N)N1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001589339882	986242686	/nfs/dbraw/zinc/24/26/86/986242686.db2.gz	LWDSDUVBQPZPCT-VIFPVBQESA-N	-1	0	305.338	0.227	20	30		DCEDRM
C[C@H](C(=O)NCC(=O)[O-])N1CCc2c(CC#N)cccc2C1	ZINC001589400657	986568174	/nfs/dbraw/zinc/56/81/74/986568174.db2.gz	PBAPTDJPMQRJCS-LLVKDONJSA-N	-1	0	301.346	0.700	20	30		DCEDRM
C[C@H](C(=O)Oc1ccccc1CC(=O)[O-])n1cnc(C#N)n1	ZINC001589553645	987292405	/nfs/dbraw/zinc/29/24/05/987292405.db2.gz	PRYDYNQYZTVSFH-SECBINFHSA-N	-1	0	300.274	0.943	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001589558648	987311189	/nfs/dbraw/zinc/31/11/89/987311189.db2.gz	SGNDZGVCZRPSOO-JTQLQIEISA-N	-1	0	304.368	0.023	20	30		DCEDRM
CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)NCC#CCO)cc1	ZINC001589643515	987572411	/nfs/dbraw/zinc/57/24/11/987572411.db2.gz	SFHZPUFGLSQRJP-UHFFFAOYSA-N	-1	0	311.359	0.323	20	30		DCEDRM
CC(C)(C)C#CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001589684973	987724637	/nfs/dbraw/zinc/72/46/37/987724637.db2.gz	SLRIFCAZVKVLKU-MOWSAHLDSA-N	-1	0	318.373	0.330	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCOCC(=O)[O-]	ZINC001589867332	988486233	/nfs/dbraw/zinc/48/62/33/988486233.db2.gz	VAXGHZXNVCCLMB-AWEZNQCLSA-N	-1	0	314.338	0.465	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)C[C@@H](C(=O)[O-])O1	ZINC001599868295	989307326	/nfs/dbraw/zinc/30/73/26/989307326.db2.gz	YVWVHJLVEPVNGO-SFYZADRCSA-N	-1	0	316.360	0.482	20	30		DCEDRM
C[C@@H]1CN(c2nnc(C3(C#N)CCOCC3)n2C)C[C@H]1C(=O)[O-]	ZINC001599870854	989348009	/nfs/dbraw/zinc/34/80/09/989348009.db2.gz	XJTBHDYWHQHAIU-GHMZBOCLSA-N	-1	0	319.365	0.544	20	30		DCEDRM
CC(C)(CCNC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001590675598	990384009	/nfs/dbraw/zinc/38/40/09/990384009.db2.gz	AKAOBRPFWHDCFH-UHFFFAOYSA-N	-1	0	317.345	0.905	20	30		DCEDRM
CC(C)(CS(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)[O-]	ZINC001590798384	990621716	/nfs/dbraw/zinc/62/17/16/990621716.db2.gz	VLGZHTNROPVEBH-LLVKDONJSA-N	-1	0	315.395	0.099	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](CNC(=O)[C@H](C)C#N)CC(C)C)c1[O-]	ZINC001391400393	990804331	/nfs/dbraw/zinc/80/43/31/990804331.db2.gz	ROYCWFNWSAFGIO-KOLCDFICSA-N	-1	0	321.381	0.844	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001590927275	990932528	/nfs/dbraw/zinc/93/25/28/990932528.db2.gz	XMWRKFFCRBSYHS-STQMWFEESA-N	-1	0	306.362	0.474	20	30		DCEDRM
CC(C)C#CC(=O)NCC1(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001590927912	990937687	/nfs/dbraw/zinc/93/76/87/990937687.db2.gz	NVCOHKDJKJKLDZ-CHWSQXEVSA-N	-1	0	320.389	0.769	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001590927901	990937817	/nfs/dbraw/zinc/93/78/17/990937817.db2.gz	NJFKNPLHAHMRQI-RNJOBUHISA-N	-1	0	306.362	0.378	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@H](C)N(C)c1ccnc(C(=O)[O-])n1	ZINC001590928070	990938798	/nfs/dbraw/zinc/93/87/98/990938798.db2.gz	QHBKTFDIIRNRPN-NSHDSACASA-N	-1	0	304.350	0.775	20	30		DCEDRM
CC(C)C#CC(=O)NCC1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001590928100	990939399	/nfs/dbraw/zinc/93/93/99/990939399.db2.gz	RVFLZNOHQJQHGX-UONOGXRCSA-N	-1	0	320.389	0.721	20	30		DCEDRM
CC(C)C#CC(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001590928215	990940542	/nfs/dbraw/zinc/94/05/42/990940542.db2.gz	WTVOYPYHVFKZQH-GFCCVEGCSA-N	-1	0	302.334	0.529	20	30		DCEDRM
CC(C)C(=O)N1CCCC[C@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001590933651	990949823	/nfs/dbraw/zinc/94/98/23/990949823.db2.gz	PTSOHDYKXIQQSP-LBPRGKRZSA-N	-1	0	309.366	0.850	20	30		DCEDRM
CN([C@]1(C#N)CCOC1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC001598365064	991513623	/nfs/dbraw/zinc/51/36/23/991513623.db2.gz	XGNSQNLCFKYLCU-AWEZNQCLSA-N	-1	0	324.358	0.829	20	30		DCEDRM
C[S@](=N)(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC001599742134	991874576	/nfs/dbraw/zinc/87/45/76/991874576.db2.gz	HCXQXHCTBWYWCZ-MCMMXHMISA-N	-1	0	322.390	0.893	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21	ZINC001598468822	991992618	/nfs/dbraw/zinc/99/26/18/991992618.db2.gz	LOSAGVBEMZTHKL-SDDRHHMPSA-N	-1	0	315.395	0.652	20	30		DCEDRM
CS(=O)(=O)Cc1cccc(C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001599752323	992007071	/nfs/dbraw/zinc/00/70/71/992007071.db2.gz	VUHXFVSKJMRNJY-UHFFFAOYSA-N	-1	0	324.358	0.672	20	30		DCEDRM
CC(C)CCC(=O)NCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001591212053	992061860	/nfs/dbraw/zinc/06/18/60/992061860.db2.gz	QMNZHEUSHHYGHW-UHFFFAOYSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccncc1C#N	ZINC001598480595	992143623	/nfs/dbraw/zinc/14/36/23/992143623.db2.gz	WXQHFECKXDSDPB-RYUDHWBXSA-N	-1	0	302.334	0.616	20	30		DCEDRM
CN(CCCNc1cnc(C#N)cn1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001598483634	992186911	/nfs/dbraw/zinc/18/69/11/992186911.db2.gz	XDFOIIHOKOBEQF-WDEREUQCSA-N	-1	0	303.322	0.329	20	30		DCEDRM
CS(=O)(=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])s1	ZINC001599767244	992197076	/nfs/dbraw/zinc/19/70/76/992197076.db2.gz	OOUOYPKZLQLVDH-UHFFFAOYSA-N	-1	0	302.333	0.202	20	30		DCEDRM
CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ncc(C#N)cc1Cl	ZINC001598490231	992278539	/nfs/dbraw/zinc/27/85/39/992278539.db2.gz	GAOOOEFKVHKCEG-UWVGGRQHSA-N	-1	0	322.752	0.880	20	30		DCEDRM
CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1cc(C#N)c[nH]1	ZINC001598496071	992363605	/nfs/dbraw/zinc/36/36/05/992363605.db2.gz	VLMCPDRIIAPFLY-UHFFFAOYSA-N	-1	0	314.305	0.559	20	30		DCEDRM
CN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1cncc(C#N)c1	ZINC001598547760	992966580	/nfs/dbraw/zinc/96/65/80/992966580.db2.gz	ZFJYJIOLVWZSRP-UHFFFAOYSA-N	-1	0	324.343	0.933	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](CNC(=O)[C@@H](C)C#N)C(C)C)c1[O-]	ZINC001399613395	993608379	/nfs/dbraw/zinc/60/83/79/993608379.db2.gz	JBHCTYWXXKQROC-WPRPVWTQSA-N	-1	0	307.354	0.454	20	30		DCEDRM
COC(=O)[C@]1(OC)CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC001598726485	995523464	/nfs/dbraw/zinc/52/34/64/995523464.db2.gz	VTFNPDNBGGGRMB-BBRMVZONSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001593610633	995803575	/nfs/dbraw/zinc/80/35/75/995803575.db2.gz	GAXIMVSEQWUBRE-ZLKJLUDKSA-N	-1	0	318.329	0.762	20	30		DCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccncc1C#N	ZINC001598769694	995871871	/nfs/dbraw/zinc/87/18/71/995871871.db2.gz	CJQXIVNTKRSPNR-WCQYABFASA-N	-1	0	303.318	0.791	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(C#N)ccn1	ZINC001598773105	995902534	/nfs/dbraw/zinc/90/25/34/995902534.db2.gz	YBHFIKDOSBMCQO-JQWIXIFHSA-N	-1	0	317.301	0.432	20	30		DCEDRM
CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001573436785	1163437131	/nfs/dbraw/zinc/43/71/31/1163437131.db2.gz	WQTZRXNJUIDVJZ-LBPRGKRZSA-N	-1	0	309.366	0.754	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(C#N)n2)C1	ZINC001598782048	995995607	/nfs/dbraw/zinc/99/56/07/995995607.db2.gz	XXFCURCUFJUXII-SKDRFNHKSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2cc(C#N)nc(C3CC3)n2)C[C@H]1C(=O)[O-]	ZINC001598826567	996389289	/nfs/dbraw/zinc/38/92/89/996389289.db2.gz	JCZFZOGZAHMXIT-GHMZBOCLSA-N	-1	0	316.317	0.536	20	30		DCEDRM
COC(=O)[C@H]1CN(c2nc3ccccn3c2C#N)C[C@@H]1C(=O)[O-]	ZINC001598827375	996397240	/nfs/dbraw/zinc/39/72/40/996397240.db2.gz	MYWDWCJHNXYRBX-UWVGGRQHSA-N	-1	0	314.301	0.516	20	30		DCEDRM
COC(=O)C[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC001598868972	996727324	/nfs/dbraw/zinc/72/73/24/996727324.db2.gz	ZBIRNQHVHBFAMC-JOYOIKCWSA-N	-1	0	321.285	0.885	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(C#CCO)c2)C1	ZINC001599075685	996856808	/nfs/dbraw/zinc/85/68/08/996856808.db2.gz	OLZBDHRGFPFWPI-INIZCTEOSA-N	-1	0	303.314	0.346	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cccc(CC#N)c1	ZINC001598891831	997006670	/nfs/dbraw/zinc/00/66/70/997006670.db2.gz	AANSYPCLZVJXTJ-GFCCVEGCSA-N	-1	0	304.302	0.889	20	30		DCEDRM
COC(=O)c1ccc(F)c(Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001413926912	997023792	/nfs/dbraw/zinc/02/37/92/997023792.db2.gz	BLBYRJCMXMLVGA-UHFFFAOYSA-N	-1	0	303.249	0.382	20	30		DCEDRM
CC1(C)OCC(C)(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CO1	ZINC001593973857	997152720	/nfs/dbraw/zinc/15/27/20/997152720.db2.gz	SEWYSWWNGSGAOT-UHFFFAOYSA-N	-1	0	310.350	0.993	20	30		DCEDRM
COCC[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001599212736	997530934	/nfs/dbraw/zinc/53/09/34/997530934.db2.gz	HQKZJYTUKPDRAV-UONOGXRCSA-N	-1	0	315.329	0.846	20	30		DCEDRM
COCCN(C)c1ccc(CN(CC#N)CCC(=O)[O-])cn1	ZINC001599231156	997856946	/nfs/dbraw/zinc/85/69/46/997856946.db2.gz	NCVWVCUNASCDMF-UHFFFAOYSA-N	-1	0	306.366	0.964	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)/C=C\C(=O)[O-]	ZINC001599350385	998083905	/nfs/dbraw/zinc/08/39/05/998083905.db2.gz	OMHUREKNRFYYIM-JVBZPZKUSA-N	-1	0	310.331	0.874	20	30		DCEDRM
COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC(O)(CC#N)C2)c1	ZINC001599451244	998105723	/nfs/dbraw/zinc/10/57/23/998105723.db2.gz	YGCOBAJYXPOEOD-ZDUSSCGKSA-N	-1	0	306.318	0.790	20	30		DCEDRM
CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599029108	999037575	/nfs/dbraw/zinc/03/75/75/999037575.db2.gz	BXDXYZGMPWFEBO-CQSZACIVSA-N	-1	0	314.338	0.560	20	30		DCEDRM
C[C@H]1CCN(c2ccc(C(=O)[O-])nc2C#N)CCS1(=O)=O	ZINC001594434282	999612888	/nfs/dbraw/zinc/61/28/88/999612888.db2.gz	KXWRSLQLKDROHX-VIFPVBQESA-N	-1	0	309.347	0.665	20	30		DCEDRM
Cc1[nH]nc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1Cl	ZINC001469624973	1016351740	/nfs/dbraw/zinc/35/17/40/1016351740.db2.gz	TYCIJXGNJJDRTN-UHFFFAOYSA-N	-1	0	308.685	0.144	20	30		DCEDRM
C=CCCO[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC001470616605	1016469147	/nfs/dbraw/zinc/46/91/47/1016469147.db2.gz	PVFKZUMFNVCNAL-UHFFFAOYSA-N	-1	0	309.347	0.460	20	30		DCEDRM
COc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c(F)c1	ZINC001421089394	1003307841	/nfs/dbraw/zinc/30/78/41/1003307841.db2.gz	PCTYGASUVBAEOQ-UHFFFAOYSA-N	-1	0	304.281	0.705	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2C[C@H]2C2CCOCC2)c(C#N)c1=O	ZINC001421300870	1003518707	/nfs/dbraw/zinc/51/87/07/1003518707.db2.gz	XAKLICOWJBITFY-QWRGUYRKSA-N	-1	0	304.350	0.420	20	30		DCEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H](C)CNC(=O)[C@@H](C)C#N	ZINC001428685812	1004111716	/nfs/dbraw/zinc/11/17/16/1004111716.db2.gz	WCKARHLHWKWZCO-DTWKUNHWSA-N	-1	0	307.354	0.550	20	30		DCEDRM
Cc1ccccc1-c1noc(Cn2c(=O)[n-]cc(C#N)c2=O)n1	ZINC001473047907	1016902833	/nfs/dbraw/zinc/90/28/33/1016902833.db2.gz	MLRVOLITKAEORM-UHFFFAOYSA-N	-1	0	309.285	0.815	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2ccc(C(F)(F)F)cn2)c1=O	ZINC001473047886	1016904709	/nfs/dbraw/zinc/90/47/09/1016904709.db2.gz	LVZHSUVLCNRYJS-UHFFFAOYSA-N	-1	0	324.218	0.705	20	30		DCEDRM
C[C@H](NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C1(C)CC1	ZINC001413946982	1005230674	/nfs/dbraw/zinc/23/06/74/1005230674.db2.gz	MEWSHXYXXIZFCT-VIFPVBQESA-N	-1	0	317.349	0.575	20	30		DCEDRM
N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3ncc[n-]3)C2)nc1	ZINC001414277194	1005273877	/nfs/dbraw/zinc/27/38/77/1005273877.db2.gz	NXJOAUJZJNZTKJ-NSHDSACASA-N	-1	0	319.346	0.518	20	30		DCEDRM
N#Cc1cn(CCNC(=O)NCC2(C3CC3)CC2)c(=O)[n-]c1=O	ZINC001414575879	1005363555	/nfs/dbraw/zinc/36/35/55/1005363555.db2.gz	VHHIHIWCTINWQH-UHFFFAOYSA-N	-1	0	317.349	0.310	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@@H]1C	ZINC001417871886	1005910496	/nfs/dbraw/zinc/91/04/96/1005910496.db2.gz	QSSWLCIVAGEDKM-CMPLNLGQSA-N	-1	0	320.349	0.094	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCC2CCCCC2)c(=O)[n-]c1=O	ZINC001441237313	1008284749	/nfs/dbraw/zinc/28/47/49/1008284749.db2.gz	LERUQKZOLKCDJE-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2C(=O)NCC2(C)C)cc1C#N	ZINC001453734744	1008692088	/nfs/dbraw/zinc/69/20/88/1008692088.db2.gz	FWAUXDRMZWIBTM-VIFPVBQESA-N	-1	0	320.374	0.635	20	30		DCEDRM
CC[C@@H]1C[C@@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001453842611	1008755788	/nfs/dbraw/zinc/75/57/88/1008755788.db2.gz	MIPAXXNENFNBOE-CMPLNLGQSA-N	-1	0	320.349	0.142	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001433558418	1008940292	/nfs/dbraw/zinc/94/02/92/1008940292.db2.gz	VUTOMXYYBRBBBZ-RKDXNWHRSA-N	-1	0	321.358	0.920	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](C(N)=O)C2)cc1C#N	ZINC001433677093	1009063219	/nfs/dbraw/zinc/06/32/19/1009063219.db2.gz	NDLDSCNIKVTUEO-SSDOTTSWSA-N	-1	0	306.347	0.328	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)ccc1Cl	ZINC001454554247	1009187276	/nfs/dbraw/zinc/18/72/76/1009187276.db2.gz	PGTDXVXFKFFJPH-NSHDSACASA-N	-1	0	318.724	0.938	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2csc(Cl)c2)c(=O)[n-]c1=O	ZINC001434208649	1009665611	/nfs/dbraw/zinc/66/56/11/1009665611.db2.gz	UQUZQVVAKBDRFB-UHFFFAOYSA-N	-1	0	324.749	0.965	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](CO)Cc2ccc(F)cc2)c(C#N)c1=O	ZINC001434446531	1009964423	/nfs/dbraw/zinc/96/44/23/1009964423.db2.gz	ZMCGKGQGSRMICW-NSHDSACASA-N	-1	0	318.308	0.100	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccnc(C#N)c2)on1	ZINC001434662981	1010166384	/nfs/dbraw/zinc/16/63/84/1010166384.db2.gz	SAOLMRAFMCTGMZ-UHFFFAOYSA-N	-1	0	322.302	0.206	20	30		DCEDRM
Cn1nnc(C[N-]S(=O)(=O)c2cccc(C#N)c2Cl)n1	ZINC001424022742	1011864161	/nfs/dbraw/zinc/86/41/61/1011864161.db2.gz	MDIQBAPCWGLOOW-UHFFFAOYSA-N	-1	0	312.742	0.214	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)C#CC(C)C)C2)c1[O-]	ZINC001536333191	1012084120	/nfs/dbraw/zinc/08/41/20/1012084120.db2.gz	IGJDZOYQORSZHC-UHFFFAOYSA-N	-1	0	304.350	0.366	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](CCO)C2CCCCC2)c(C#N)c1=O	ZINC001458177697	1012099544	/nfs/dbraw/zinc/09/95/44/1012099544.db2.gz	DJNQJYJJJIDQPI-GFCCVEGCSA-N	-1	0	306.366	0.688	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2nccn2-c2ccccc2)c(C#N)c1=O	ZINC001458348223	1012145723	/nfs/dbraw/zinc/14/57/23/1012145723.db2.gz	ZECBBEXEMCKBBZ-UHFFFAOYSA-N	-1	0	322.328	0.743	20	30		DCEDRM
C#CCCCC(=O)N[C@@]1(C)CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001536804095	1012227386	/nfs/dbraw/zinc/22/73/86/1012227386.db2.gz	VERSITDTUSLXRP-INIZCTEOSA-N	-1	0	318.377	0.948	20	30		DCEDRM
C=CCNC(=O)c1ccc(NC(=O)CCc2nnn[n-]2)cc1	ZINC001543353238	1012511007	/nfs/dbraw/zinc/51/10/07/1012511007.db2.gz	IFBUPAGTPRLZBS-UHFFFAOYSA-N	-1	0	300.322	0.687	20	30		DCEDRM
C=CCOCCCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001565082703	1012544209	/nfs/dbraw/zinc/54/42/09/1012544209.db2.gz	XIVSYTSLXQISFQ-NSHDSACASA-N	-1	0	309.370	0.992	20	30		DCEDRM
COC[C@@](C)(C#N)NC(=O)c1nc[n-]c(=O)c1Br	ZINC001545508729	1012562968	/nfs/dbraw/zinc/56/29/68/1012562968.db2.gz	MDHKXRJNMPZBNK-SNVBAGLBSA-N	-1	0	315.127	0.603	20	30		DCEDRM
C#CCN(C)c1nnc(-c2cc(=O)n(C)[n-]2)n1C[C@H]1CCOC1	ZINC001519656729	1017223053	/nfs/dbraw/zinc/22/30/53/1017223053.db2.gz	DGCMTKYGIYABMU-LLVKDONJSA-N	-1	0	316.365	0.490	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@](C)(NC(=O)[C@H](C)C#N)C2CC2)c1[O-]	ZINC001499694838	1018041638	/nfs/dbraw/zinc/04/16/38/1018041638.db2.gz	NFBYAIUUJXLWCG-GLEZIHRCSA-N	-1	0	319.365	0.598	20	30		DCEDRM
COc1ccsc1S(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001607352390	1170433825	/nfs/dbraw/zinc/43/38/25/1170433825.db2.gz	IJSHGXOIDOEXCY-UHFFFAOYSA-N	-1	0	304.349	0.746	20	30		DCEDRM
COCC[C@](C)(C#N)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001610254080	1171208627	/nfs/dbraw/zinc/20/86/27/1171208627.db2.gz	NXBIHOCDSBDANY-GFCCVEGCSA-N	-1	0	313.335	0.377	20	30		DCEDRM
COc1ncc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1Cl	ZINC001610371032	1171226067	/nfs/dbraw/zinc/22/60/67/1171226067.db2.gz	MZMIYPRDESTKEW-UHFFFAOYSA-N	-1	0	319.726	0.342	20	30		DCEDRM
C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)N1CCCCC1=O	ZINC000338769283	295830962	/nfs/dbraw/zinc/83/09/62/295830962.db2.gz	GEKPSDNNXXTGMO-VIFPVBQESA-N	-1	0	300.322	0.883	20	30		DCEDRM
C[C@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)CCCC#N	ZINC000275193094	238305160	/nfs/dbraw/zinc/30/51/60/238305160.db2.gz	ZXNVPKRMOJWZCM-LLVKDONJSA-N	-1	0	311.363	0.990	20	30		DCEDRM
COCCCn1nccc1/C=C/C(=O)c1cnc([O-])n(C)c1=O	ZINC000283042371	238385784	/nfs/dbraw/zinc/38/57/84/238385784.db2.gz	QMSKIGONQCCCIF-SNAWJCMRSA-N	-1	0	318.333	0.615	20	30		DCEDRM
C[C@@](C#N)(NC(=O)CN1CCC[C@@H](c2n[n-]c(=O)o2)C1)C1CC1	ZINC000284419635	238399779	/nfs/dbraw/zinc/39/97/79/238399779.db2.gz	XVBDMWYAUCXOAL-BMIGLBTASA-N	-1	0	319.365	0.351	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000422685297	240176627	/nfs/dbraw/zinc/17/66/27/240176627.db2.gz	HYBTTXKKYUOPPE-OAHLLOKOSA-N	-1	0	319.292	0.959	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc(OCC)nc1)C(=O)[O-]	ZINC000275015187	212075245	/nfs/dbraw/zinc/07/52/45/212075245.db2.gz	NWTFIVKDDVIBHR-LLVKDONJSA-N	-1	0	312.347	0.625	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1sc(C)nc1C)C(=O)[O-]	ZINC000274927271	212040540	/nfs/dbraw/zinc/04/05/40/212040540.db2.gz	BURDKUVNQFBVOV-SECBINFHSA-N	-1	0	302.377	0.905	20	30		DCEDRM
CCOC[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000572165413	291552742	/nfs/dbraw/zinc/55/27/42/291552742.db2.gz	SISXHTHWMFMLAF-GFCCVEGCSA-N	-1	0	312.347	0.467	20	30		DCEDRM
C[C@H]1C(=O)N(C)S(=O)(=O)N1CCOc1ccccc1C#N	ZINC000282871135	217290944	/nfs/dbraw/zinc/29/09/44/217290944.db2.gz	CDQYSCHBSBALES-JTQLQIEISA-N	-1	0	309.347	0.344	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C	ZINC000263214210	284852997	/nfs/dbraw/zinc/85/29/97/284852997.db2.gz	ZOHZYKWOYWALJT-QWRGUYRKSA-N	-1	0	303.384	0.652	20	30		DCEDRM
COC(=O)c1ccncc1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000350728695	254324104	/nfs/dbraw/zinc/32/41/04/254324104.db2.gz	DZKRLOHNQFRFGM-UHFFFAOYSA-N	-1	0	318.314	0.936	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C#N)cc1C(=O)[O-]	ZINC000273717194	395937726	/nfs/dbraw/zinc/93/77/26/395937726.db2.gz	LUYGYQZIGCEZQZ-SNVBAGLBSA-N	-1	0	310.331	0.606	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1	ZINC000060738797	395963519	/nfs/dbraw/zinc/96/35/19/395963519.db2.gz	KPGXCFSNWCALNE-UHFFFAOYSA-N	-1	0	305.319	0.041	20	30		DCEDRM
CCOC(=O)NCCC(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000064618475	395988242	/nfs/dbraw/zinc/98/82/42/395988242.db2.gz	WPKJLFAAXGBKIH-UHFFFAOYSA-N	-1	0	307.372	0.810	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1	ZINC000155630818	396055452	/nfs/dbraw/zinc/05/54/52/396055452.db2.gz	DGZFQPYGBTXQJQ-LBPRGKRZSA-N	-1	0	311.349	0.889	20	30		DCEDRM
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000157331152	396062886	/nfs/dbraw/zinc/06/28/86/396062886.db2.gz	NWKGOHHDXFOCMN-UHFFFAOYSA-N	-1	0	322.394	0.951	20	30		DCEDRM
C=CCNC(=O)CNC(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000181693072	396241557	/nfs/dbraw/zinc/24/15/57/396241557.db2.gz	MGDKSOJCJYFPCW-UHFFFAOYSA-N	-1	0	318.308	0.749	20	30		DCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(C)OCCO1	ZINC000179031224	396218478	/nfs/dbraw/zinc/21/84/78/396218478.db2.gz	DUTIRYRSYNSHIK-UHFFFAOYSA-N	-1	0	319.361	0.675	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1C#N	ZINC000185648598	396331876	/nfs/dbraw/zinc/33/18/76/396331876.db2.gz	BKQBEAQFDGPUCS-UHFFFAOYSA-N	-1	0	305.319	0.490	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C	ZINC000594676239	396496751	/nfs/dbraw/zinc/49/67/51/396496751.db2.gz	ZTSIMFNSVLGKRA-JTQLQIEISA-N	-1	0	305.400	0.898	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])cc1F	ZINC000291800891	396512991	/nfs/dbraw/zinc/51/29/91/396512991.db2.gz	BGCPSPUFJGMUQI-SNVBAGLBSA-N	-1	0	316.335	0.846	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)C(=O)N1CCC(C)(C#N)CC1)C(=O)[O-]	ZINC000594539016	396485583	/nfs/dbraw/zinc/48/55/83/396485583.db2.gz	MOKKXOXBLYYANS-LLVKDONJSA-N	-1	0	309.366	0.612	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000581194601	396533658	/nfs/dbraw/zinc/53/36/58/396533658.db2.gz	GFXHJLXQPREUKP-IJLUTSLNSA-N	-1	0	317.411	0.803	20	30		DCEDRM
N#CC1CCC(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1	ZINC000595262787	396573984	/nfs/dbraw/zinc/57/39/84/396573984.db2.gz	LDFGHDXMHZTXCI-UHFFFAOYSA-N	-1	0	318.381	0.770	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cc1F	ZINC000589975802	396732630	/nfs/dbraw/zinc/73/26/30/396732630.db2.gz	AWMYLXJDASYPBV-UHFFFAOYSA-N	-1	0	316.310	0.155	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000565057159	396915297	/nfs/dbraw/zinc/91/52/97/396915297.db2.gz	YXTMHRZLEMJLSA-LBPRGKRZSA-N	-1	0	319.383	0.032	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1	ZINC000591563632	396928821	/nfs/dbraw/zinc/92/88/21/396928821.db2.gz	ZSGPXFJUIZPYKA-CQSZACIVSA-N	-1	0	305.265	0.787	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-]	ZINC000630326355	396984615	/nfs/dbraw/zinc/98/46/15/396984615.db2.gz	OQMHDHRBKLIGGQ-ZDUSSCGKSA-N	-1	0	315.329	0.932	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1C(N)=O	ZINC000619463725	397134969	/nfs/dbraw/zinc/13/49/69/397134969.db2.gz	SMFBNEIUEAOSOV-UHFFFAOYSA-N	-1	0	319.346	0.684	20	30		DCEDRM
CC(C)CN(CC(C)C)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000592354981	397158414	/nfs/dbraw/zinc/15/84/14/397158414.db2.gz	PIPPSUZBLRLICG-UHFFFAOYSA-N	-1	0	306.366	0.549	20	30		DCEDRM
CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000574405143	397265746	/nfs/dbraw/zinc/26/57/46/397265746.db2.gz	YXOREDJSDYCEPY-UHFFFAOYSA-N	-1	0	300.311	0.934	20	30		DCEDRM
CC(C)[C@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602137997	397316034	/nfs/dbraw/zinc/31/60/34/397316034.db2.gz	HJBWKDMWKZKOEZ-NSHDSACASA-N	-1	0	304.350	0.715	20	30		DCEDRM
CC[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC000602110136	397305100	/nfs/dbraw/zinc/30/51/00/397305100.db2.gz	YGLAZDKNMSKOSU-LLVKDONJSA-N	-1	0	322.390	0.565	20	30		DCEDRM
CSC[C@@H]1CCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602124688	397309688	/nfs/dbraw/zinc/30/96/88/397309688.db2.gz	WPGPWGISXONOTC-NSHDSACASA-N	-1	0	322.390	0.565	20	30		DCEDRM
CCCSC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000593254626	397341088	/nfs/dbraw/zinc/34/10/88/397341088.db2.gz	PQETUJZUEQFCJL-VHSXEESVSA-N	-1	0	323.440	0.509	20	30		DCEDRM
N#Cc1ccc(N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cn1	ZINC000593329618	397352835	/nfs/dbraw/zinc/35/28/35/397352835.db2.gz	ZDMZRPQHRVLFAC-NSHDSACASA-N	-1	0	314.345	0.855	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC3(C2)CCCCC3)c(=O)[n-]c1=O	ZINC000602140285	397317879	/nfs/dbraw/zinc/31/78/79/397317879.db2.gz	GKPOQGQKWORCNB-UHFFFAOYSA-N	-1	0	302.334	0.613	20	30		DCEDRM
C[C@H]1CCSCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602150131	397324067	/nfs/dbraw/zinc/32/40/67/397324067.db2.gz	XAVKSHQQFRWDDG-VIFPVBQESA-N	-1	0	308.363	0.175	20	30		DCEDRM
CC1(C)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C1CC1	ZINC000602155059	397326124	/nfs/dbraw/zinc/32/61/24/397326124.db2.gz	XQZNQFHJXDHBFV-ZDUSSCGKSA-N	-1	0	316.361	0.858	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2C[C@@H]3CCCC[C@@H]3C2)c(=O)[n-]c1=O	ZINC000602160312	397327573	/nfs/dbraw/zinc/32/75/73/397327573.db2.gz	NELRCKYXWYTDLA-TXEJJXNPSA-N	-1	0	316.361	0.859	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1C#N	ZINC000579008563	397514994	/nfs/dbraw/zinc/51/49/94/397514994.db2.gz	ZYVXLEJHDWGXDE-RNCFNFMXSA-N	-1	0	323.374	0.993	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2cncc(C#N)n2)C1=O	ZINC000579009354	397515165	/nfs/dbraw/zinc/51/51/65/397515165.db2.gz	VCKNVLXIAUGSGO-ZYHUDNBSSA-N	-1	0	303.322	0.470	20	30		DCEDRM
C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(=O)[O-]	ZINC000594527387	397564688	/nfs/dbraw/zinc/56/46/88/397564688.db2.gz	DZZRAUXKDCDNPO-LLVKDONJSA-N	-1	0	317.349	0.506	20	30		DCEDRM
C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)O1	ZINC000408484243	160118618	/nfs/dbraw/zinc/11/86/18/160118618.db2.gz	DTZHGPBZJVHQAC-YGOYTEALSA-N	-1	0	309.347	0.572	20	30		DCEDRM
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)[O-])c1	ZINC000342875957	415325960	/nfs/dbraw/zinc/32/59/60/415325960.db2.gz	VHHVKOILPBCTJW-SECBINFHSA-N	-1	0	312.347	0.354	20	30		DCEDRM
C=CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC)cn1	ZINC000291913070	415835838	/nfs/dbraw/zinc/83/58/38/415835838.db2.gz	SUQUISAKALJGCG-UHFFFAOYSA-N	-1	0	319.408	0.698	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000295277235	415889173	/nfs/dbraw/zinc/88/91/73/415889173.db2.gz	IGKWJNPNQUOERM-NWDGAFQWSA-N	-1	0	321.381	0.550	20	30		DCEDRM
C[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)n1cnc(C#N)n1	ZINC000337055613	415900559	/nfs/dbraw/zinc/90/05/59/415900559.db2.gz	QSRIBVGKKLBSFF-SSDOTTSWSA-N	-1	0	302.250	0.963	20	30		DCEDRM
CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(N)=O	ZINC000125252358	415861080	/nfs/dbraw/zinc/86/10/80/415861080.db2.gz	IKFKHQDIBOEUJZ-JTQLQIEISA-N	-1	0	317.317	0.625	20	30		DCEDRM
C#CCC[N-]S(=O)(=O)[C@H](CC(=O)OCC)C(F)(F)F	ZINC000296577784	415932108	/nfs/dbraw/zinc/93/21/08/415932108.db2.gz	DQKZXFQFVMBVSG-MRVPVSSYSA-N	-1	0	301.286	0.813	20	30		DCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cccc2c1OCO2	ZINC000337759519	416005695	/nfs/dbraw/zinc/00/56/95/416005695.db2.gz	JLXBMKZLPUERCK-UHFFFAOYSA-N	-1	0	306.303	0.821	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1C(N)=O	ZINC000357467188	416085727	/nfs/dbraw/zinc/08/57/27/416085727.db2.gz	HLKSXBJQHPMUIM-UHFFFAOYSA-N	-1	0	322.321	0.936	20	30		DCEDRM
C=CCNC(=O)CNC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000347887867	416226484	/nfs/dbraw/zinc/22/64/84/416226484.db2.gz	CIXFDKYGNHFJOV-UHFFFAOYSA-N	-1	0	314.345	0.506	20	30		DCEDRM
C#CCN(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000191024428	416282699	/nfs/dbraw/zinc/28/26/99/416282699.db2.gz	QRUAEJXPZLYHAT-UHFFFAOYSA-N	-1	0	322.386	0.882	20	30		DCEDRM
C=CCN(C(=O)[C@@H]1CC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000261990494	416335996	/nfs/dbraw/zinc/33/59/96/416335996.db2.gz	CSSPDZUMAJTPCG-MXWKQRLJSA-N	-1	0	301.364	0.299	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCC2(CC#N)CC2)C1	ZINC000422706927	416448566	/nfs/dbraw/zinc/44/85/66/416448566.db2.gz	VFHFOOQFLZAYNS-QWRGUYRKSA-N	-1	0	307.350	0.366	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCCCC(N)=O)c(F)c1	ZINC000537170104	416552582	/nfs/dbraw/zinc/55/25/82/416552582.db2.gz	XQGMQKFXJRCONA-UHFFFAOYSA-N	-1	0	317.317	0.770	20	30		DCEDRM
C=CCn1c(SCc2nnn[n-]2)nnc1-c1cnccn1	ZINC000488925488	416562936	/nfs/dbraw/zinc/56/29/36/416562936.db2.gz	KTQVYXDORUKKSJ-UHFFFAOYSA-N	-1	0	301.339	0.727	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1	ZINC000492322194	416636225	/nfs/dbraw/zinc/63/62/25/416636225.db2.gz	LBSBGARDBBTQOA-BZYZDCJZSA-N	-1	0	322.386	0.837	20	30		DCEDRM
CN(C)C(=O)Cn1ccc(NC(=O)c2ccc(C#N)c([O-])c2)n1	ZINC000442645652	416701653	/nfs/dbraw/zinc/70/16/53/416701653.db2.gz	JHYXBINVAFCWEF-UHFFFAOYSA-N	-1	0	313.317	0.801	20	30		DCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000515486513	416703188	/nfs/dbraw/zinc/70/31/88/416703188.db2.gz	AESHIDUFPFBGKW-LBPRGKRZSA-N	-1	0	312.347	0.419	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(C)(C)[C@H]1C(=O)[O-]	ZINC000570805873	417394181	/nfs/dbraw/zinc/39/41/81/417394181.db2.gz	PWKUCQIEUILURO-VHSXEESVSA-N	-1	0	303.384	0.650	20	30		DCEDRM
CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)N(CC)C[C@H](C)C#N	ZINC000573855201	417476286	/nfs/dbraw/zinc/47/62/86/417476286.db2.gz	XVNWPVMCBARMGG-IJLUTSLNSA-N	-1	0	317.411	0.898	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651838534	417794445	/nfs/dbraw/zinc/79/44/45/417794445.db2.gz	YUDBNMWVXMBJNE-MNOVXSKESA-N	-1	0	307.354	0.069	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C1(n2cnnn2)CCCCC1)C(=O)[O-]	ZINC000652071011	417842401	/nfs/dbraw/zinc/84/24/01/417842401.db2.gz	DONOBPHICOPLRB-LLVKDONJSA-N	-1	0	323.353	0.105	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)N=c1nc2nc(C)cc(C)n2[n-]1	ZINC000647680737	418040493	/nfs/dbraw/zinc/04/04/93/418040493.db2.gz	OCVXBWHPLVNNEL-LLVKDONJSA-N	-1	0	302.338	0.059	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000659061108	418051851	/nfs/dbraw/zinc/05/18/51/418051851.db2.gz	PIFHYASMLZPVPX-SCZZXKLOSA-N	-1	0	305.290	0.178	20	30		DCEDRM
C=CCCNC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000659663357	418139700	/nfs/dbraw/zinc/13/97/00/418139700.db2.gz	KFZJCGWJGRZGJY-MRXNPFEDSA-N	-1	0	304.346	0.837	20	30		DCEDRM
C=CCn1cc(CNC(=O)NC[C@@H](C(=O)[O-])C2CCC2)nn1	ZINC000665313532	418194341	/nfs/dbraw/zinc/19/43/41/418194341.db2.gz	MZMSQYAZRUOBPF-GFCCVEGCSA-N	-1	0	307.354	0.764	20	30		DCEDRM
C=CCn1cc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)nn1	ZINC000649250681	418214578	/nfs/dbraw/zinc/21/45/78/418214578.db2.gz	PPHOTEMRJNCWME-NSHDSACASA-N	-1	0	318.255	0.943	20	30		DCEDRM
C=CCC1(C(=O)N=c2ccc(C(=O)NC)n[n-]2)CCOCC1	ZINC000650819526	418327745	/nfs/dbraw/zinc/32/77/45/418327745.db2.gz	XGPRMJOMKNSQJY-UHFFFAOYSA-N	-1	0	304.350	0.570	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)CC2)C(=O)[O-]	ZINC000656157736	418332013	/nfs/dbraw/zinc/33/20/13/418332013.db2.gz	SETMRSNDKJKUKQ-CYBMUJFWSA-N	-1	0	321.354	0.960	20	30		DCEDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cncc(C#N)c1	ZINC000396997897	262163338	/nfs/dbraw/zinc/16/33/38/262163338.db2.gz	CWIGQQYNTBNQDD-MWLCHTKSSA-N	-1	0	309.347	0.827	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)[n-]c1C#N	ZINC000355024185	268323969	/nfs/dbraw/zinc/32/39/69/268323969.db2.gz	YFFWEJDCIKEMLN-SECBINFHSA-N	-1	0	312.333	0.883	20	30		DCEDRM
C=CCCCS(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000263125644	277829427	/nfs/dbraw/zinc/82/94/27/277829427.db2.gz	SBVNZTSZOYNVNM-SNVBAGLBSA-N	-1	0	306.384	0.194	20	30		DCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(C)c1C#N	ZINC000548241362	288124371	/nfs/dbraw/zinc/12/43/71/288124371.db2.gz	QHYHTKZWKZZFAT-LLVKDONJSA-N	-1	0	312.347	0.587	20	30		DCEDRM
N#Cc1cccc(CN(CC(=O)[O-])S(=O)(=O)[C@H]2CCOC2)c1	ZINC000548243689	288124645	/nfs/dbraw/zinc/12/46/45/288124645.db2.gz	AXZIXPHWXUXVIS-ZDUSSCGKSA-N	-1	0	324.358	0.564	20	30		DCEDRM
C[C@@H]([C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-])C1CC1	ZINC000554678021	288335252	/nfs/dbraw/zinc/33/52/52/288335252.db2.gz	IOQBYBWVBSKWNN-PRHODGIISA-N	-1	0	309.347	0.731	20	30		DCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C(N)=O	ZINC000344924212	303016777	/nfs/dbraw/zinc/01/67/77/303016777.db2.gz	HMCZJQHNUHXIAI-UHFFFAOYSA-N	-1	0	305.319	0.191	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000273700797	303170605	/nfs/dbraw/zinc/17/06/05/303170605.db2.gz	JSJREVDLKYJGDP-JTQLQIEISA-N	-1	0	314.294	0.437	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000570683623	332799963	/nfs/dbraw/zinc/79/99/63/332799963.db2.gz	YDWRNNAKVCKKQZ-OUAUKWLOSA-N	-1	0	303.384	0.556	20	30		DCEDRM
Cc1c([C@H](NS(=O)(=O)CCCC#N)C(=O)[O-])cnn1C	ZINC000530541842	331585430	/nfs/dbraw/zinc/58/54/30/331585430.db2.gz	AYJWYAZYORTZFS-JTQLQIEISA-N	-1	0	300.340	0.077	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CCO[C@H]1C(=C)C)C(=O)[O-]	ZINC000556707304	331726291	/nfs/dbraw/zinc/72/62/91/331726291.db2.gz	AGTACGGEJNSNKK-AVGNSLFASA-N	-1	0	312.366	0.923	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000566311465	332334132	/nfs/dbraw/zinc/33/41/32/332334132.db2.gz	DEDUSYJEMFMHPO-OUAUKWLOSA-N	-1	0	305.400	0.658	20	30		DCEDRM
CCCCN(CCCC)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000583630830	336007545	/nfs/dbraw/zinc/00/75/45/336007545.db2.gz	WDIXVWCBBIZBCB-UHFFFAOYSA-N	-1	0	306.366	0.837	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(C)(C)[C@@H]1C(=O)[O-]	ZINC000582364210	336943707	/nfs/dbraw/zinc/94/37/07/336943707.db2.gz	YCXGXZQPCNPSJB-QWRGUYRKSA-N	-1	0	317.411	0.898	20	30		DCEDRM
CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000584414139	337322035	/nfs/dbraw/zinc/32/20/35/337322035.db2.gz	JJJLEGFEUNQXCE-GARJFASQSA-N	-1	0	303.384	0.508	20	30		DCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccn(C)n1	ZINC000490603307	339835396	/nfs/dbraw/zinc/83/53/96/339835396.db2.gz	ARGOBYRFZSEXEV-UHFFFAOYSA-N	-1	0	318.358	0.584	20	30		DCEDRM
C#CCN(CC#CC)S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1	ZINC000490949240	339844615	/nfs/dbraw/zinc/84/46/15/339844615.db2.gz	IYLFIEBSKGPEGQ-UHFFFAOYSA-N	-1	0	308.359	0.853	20	30		DCEDRM
C#CCN(CC#N)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000490985995	339845338	/nfs/dbraw/zinc/84/53/38/339845338.db2.gz	PGEHTANQRJGHPB-UHFFFAOYSA-N	-1	0	309.322	0.796	20	30		DCEDRM
Cc1c(/C=C\C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cnn1C	ZINC000492327054	339897799	/nfs/dbraw/zinc/89/77/99/339897799.db2.gz	FHGHAEWWHGPVNO-WAYWQWQTSA-N	-1	0	310.379	0.738	20	30		DCEDRM
C=CCC[C@@H](NC(=O)CNC(=O)/C=C\c1cccnc1)C(=O)[O-]	ZINC000493284901	339922073	/nfs/dbraw/zinc/92/20/73/339922073.db2.gz	FKQHDLSJBRQYPJ-MEJMFZKBSA-N	-1	0	317.345	0.747	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCCNC(=O)OC)CC1	ZINC000496800134	340013236	/nfs/dbraw/zinc/01/32/36/340013236.db2.gz	URRWMSKUINXVII-UHFFFAOYSA-N	-1	0	304.368	0.677	20	30		DCEDRM
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)NC[C@H](C)C#N	ZINC000546960269	341188631	/nfs/dbraw/zinc/18/86/31/341188631.db2.gz	XOWCPDJWGJZWAC-SECBINFHSA-N	-1	0	312.347	0.760	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000547909857	341239047	/nfs/dbraw/zinc/23/90/47/341239047.db2.gz	SAUCQTXVYKMBPU-UHFFFAOYSA-N	-1	0	310.331	0.828	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC000566313169	341553706	/nfs/dbraw/zinc/55/37/06/341553706.db2.gz	FALWQPHCQNBXJN-PWSUYJOCSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCC1(C(=O)[O-])CCCC1	ZINC000566313271	341553773	/nfs/dbraw/zinc/55/37/73/341553773.db2.gz	SVMXTTGAYSCQAW-SNVBAGLBSA-N	-1	0	303.384	0.700	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1cnn(CCOC)c1)C(=O)[O-]	ZINC000577681385	341928783	/nfs/dbraw/zinc/92/87/83/341928783.db2.gz	KOJSTVLOXWZPGQ-NSHDSACASA-N	-1	0	317.367	0.227	20	30		DCEDRM
N#CCCCS(=O)(=O)NC[C@@H](Cc1cccnc1)C(=O)[O-]	ZINC000275338018	534625676	/nfs/dbraw/zinc/62/56/76/534625676.db2.gz	UYEXJKCERMKFKZ-GFCCVEGCSA-N	-1	0	311.363	0.548	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000262885495	526807646	/nfs/dbraw/zinc/80/76/46/526807646.db2.gz	CMCKPQULYSBVCV-NSHDSACASA-N	-1	0	324.289	0.989	20	30		DCEDRM
CCOC(=O)CO/N=C(/C(=O)[N-]OC1CCCC1)c1cc[nH]n1	ZINC000278269809	528820434	/nfs/dbraw/zinc/82/04/34/528820434.db2.gz	AOOZHABLINYVMF-GHRIWEEISA-N	-1	0	324.337	0.684	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1c(CC)nn(C)c1CC)C(=O)[O-]	ZINC000681559057	548263786	/nfs/dbraw/zinc/26/37/86/548263786.db2.gz	ZHXHTPKJBQOLKY-JTQLQIEISA-N	-1	0	315.395	0.853	20	30		DCEDRM
C[C@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1cccnc1	ZINC000735974256	599106185	/nfs/dbraw/zinc/10/61/85/599106185.db2.gz	BHRCNXYFTGIUSX-MRVPVSSYSA-N	-1	0	323.320	0.989	20	30		DCEDRM
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000819874621	597611667	/nfs/dbraw/zinc/61/16/67/597611667.db2.gz	NOSBWHKQLNIRSV-BDAKNGLRSA-N	-1	0	305.290	0.505	20	30		DCEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)Nc1ncccn1	ZINC000820162018	597625282	/nfs/dbraw/zinc/62/52/82/597625282.db2.gz	WNSYFQJLLCAIDI-OQPBUACISA-N	-1	0	306.278	0.351	20	30		DCEDRM
CC(C)(C)C(=O)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819901483	597633420	/nfs/dbraw/zinc/63/34/20/597633420.db2.gz	GKRCXSQMUWMBLR-OAHLLOKOSA-N	-1	0	309.366	0.708	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000819835959	597634166	/nfs/dbraw/zinc/63/41/66/597634166.db2.gz	YVSLXYQPOOLHTF-IAQYHMDHSA-N	-1	0	324.308	0.686	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(-n2cncn2)nc1	ZINC000819842851	597634308	/nfs/dbraw/zinc/63/43/08/597634308.db2.gz	VQEBOEPYKIPQEF-CQSZACIVSA-N	-1	0	314.305	0.283	20	30		DCEDRM
Cc1cccc(OC[C@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000821116600	597638669	/nfs/dbraw/zinc/63/86/69/597638669.db2.gz	HWUFRBLJAFGFTR-MLGOLLRUSA-N	-1	0	320.345	0.856	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC(NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000819915009	597647042	/nfs/dbraw/zinc/64/70/42/597647042.db2.gz	QLZIIHDSCABWOJ-AWEZNQCLSA-N	-1	0	311.338	0.726	20	30		DCEDRM
CN(CC(=O)NCc1cccs1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820562690	597647717	/nfs/dbraw/zinc/64/77/17/597647717.db2.gz	REFOPYSDUGSYTG-AWEZNQCLSA-N	-1	0	323.374	0.827	20	30		DCEDRM
CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H]1N1CCOCC1	ZINC000820297148	597651438	/nfs/dbraw/zinc/65/14/38/597651438.db2.gz	NLNDDLSJMDOMKT-WWGRRREGSA-N	-1	0	323.393	0.560	20	30		DCEDRM
Cc1nc([C@H]2CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO2)n[nH]1	ZINC000821152513	597652160	/nfs/dbraw/zinc/65/21/60/597652160.db2.gz	DGZFYMBRKDRNDG-RNCFNFMXSA-N	-1	0	307.310	0.018	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCNC(=O)NC1CCCCC1	ZINC000819842231	597656747	/nfs/dbraw/zinc/65/67/47/597656747.db2.gz	LREMWPTUIIXEAI-OAHLLOKOSA-N	-1	0	324.381	0.739	20	30		DCEDRM
CC(=O)NCCN(C(=O)C#Cc1ccccc1)[C@H](C)C(=O)[O-]	ZINC000819744518	597690276	/nfs/dbraw/zinc/69/02/76/597690276.db2.gz	RKVMBJWZAYCXST-GFCCVEGCSA-N	-1	0	302.330	0.476	20	30		DCEDRM
C[C@@H]1CC(=NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)NO1	ZINC000820228709	598057429	/nfs/dbraw/zinc/05/74/29/598057429.db2.gz	SCPDVIIWXIMHJA-SKDRFNHKSA-N	-1	0	316.317	0.944	20	30		DCEDRM
CN(Cc1cccc(C(N)=O)c1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820602238	598225179	/nfs/dbraw/zinc/22/51/79/598225179.db2.gz	QOYSCWUCEZLJNK-OAHLLOKOSA-N	-1	0	303.318	0.748	20	30		DCEDRM
CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820498437	598230056	/nfs/dbraw/zinc/23/00/56/598230056.db2.gz	CIOSVSLPYHPLKH-XPTSAGLGSA-N	-1	0	305.338	0.796	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2Cc3ccccc3O2)[n-]c1-c1nn[nH]n1	ZINC000822815590	599314748	/nfs/dbraw/zinc/31/47/48/599314748.db2.gz	UIKVSVDSSRMXOV-JTQLQIEISA-N	-1	0	322.288	0.404	20	30		DCEDRM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCN(CC#N)CC1	ZINC000738346048	599797841	/nfs/dbraw/zinc/79/78/41/599797841.db2.gz	SWYUHEMPHQBBIZ-UHFFFAOYSA-N	-1	0	323.374	0.523	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)c1ccccc1C(=O)[O-]	ZINC000736105861	599829379	/nfs/dbraw/zinc/82/93/79/599829379.db2.gz	MVTHXTSYSUYEKQ-UHFFFAOYSA-N	-1	0	306.274	0.553	20	30		DCEDRM
CN(CCCC(=O)OCC(=O)N[C@](C)(C#N)C1CC1)C(=O)[O-]	ZINC000737435684	599873018	/nfs/dbraw/zinc/87/30/18/599873018.db2.gz	ZDLBEYGFLMTSNH-CQSZACIVSA-N	-1	0	311.338	0.728	20	30		DCEDRM
N#CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	ZINC000739087722	599924197	/nfs/dbraw/zinc/92/41/97/599924197.db2.gz	LXCGUZACFUTQAL-ZDUSSCGKSA-N	-1	0	303.318	0.364	20	30		DCEDRM
CC(=O)c1[nH]c(CC(=O)N2CCO[C@H](C#N)C2)c(C(=O)[O-])c1C	ZINC000736183241	599953329	/nfs/dbraw/zinc/95/33/29/599953329.db2.gz	VJQFXUVGHGMSAJ-SNVBAGLBSA-N	-1	0	319.317	0.517	20	30		DCEDRM
N#Cc1ccc(Cl)cc1NC(=O)CN1CCO[C@H](C(=O)[O-])C1	ZINC000738432719	599972569	/nfs/dbraw/zinc/97/25/69/599972569.db2.gz	QGBSCIHNQKVOGE-LBPRGKRZSA-N	-1	0	323.736	0.936	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)ccc1C(=O)[O-]	ZINC000738405467	599998241	/nfs/dbraw/zinc/99/82/41/599998241.db2.gz	AOGLGYCNKCSTTP-LLVKDONJSA-N	-1	0	317.301	0.383	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000738501327	600053306	/nfs/dbraw/zinc/05/33/06/600053306.db2.gz	KDJCDJGEXJQLCV-LBPRGKRZSA-N	-1	0	317.301	0.117	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN1Cc2ccc(C(=O)[O-])cc2C1	ZINC000317346229	600086214	/nfs/dbraw/zinc/08/62/14/600086214.db2.gz	RBVUENUAXILVAD-UHFFFAOYSA-N	-1	0	303.318	0.712	20	30		DCEDRM
C[C@H](CC(=O)[O-])S(=O)(=O)CC(=O)NCc1cccc(C#N)c1	ZINC000736548724	600193809	/nfs/dbraw/zinc/19/38/09/600193809.db2.gz	DTDSHQNKTIPCAE-SNVBAGLBSA-N	-1	0	324.358	0.452	20	30		DCEDRM
CCC[C@](C)(NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000736955035	600387964	/nfs/dbraw/zinc/38/79/64/600387964.db2.gz	XNAQSPSZYKFBHX-LLNWESEBSA-N	-1	0	323.349	0.663	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000739087582	600402354	/nfs/dbraw/zinc/40/23/54/600402354.db2.gz	ONXYZWNVMQBASM-UHFFFAOYSA-N	-1	0	324.300	0.377	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000739075535	600406865	/nfs/dbraw/zinc/40/68/65/600406865.db2.gz	HNQUFVOXVILHCI-LLVKDONJSA-N	-1	0	301.302	0.476	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C(=O)NCCCc1ccccc1	ZINC000739076451	600409067	/nfs/dbraw/zinc/40/90/67/600409067.db2.gz	WPEDGRYYIOXELA-UHFFFAOYSA-N	-1	0	303.318	0.172	20	30		DCEDRM
Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)NCCC(=O)[O-]	ZINC000738934419	600520664	/nfs/dbraw/zinc/52/06/64/600520664.db2.gz	RMNZTRWOBNNZDE-UHFFFAOYSA-N	-1	0	313.317	0.716	20	30		DCEDRM
N#Cc1ccc([C@H](NCC(=O)NCC(F)(F)F)C(=O)[O-])cc1	ZINC000739108053	600595300	/nfs/dbraw/zinc/59/53/00/600595300.db2.gz	SSBKPSPYWYGTGG-NSHDSACASA-N	-1	0	315.251	0.952	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)C2=NNC(=O)CC2)C(=O)[O-])cc1	ZINC000739110593	600603509	/nfs/dbraw/zinc/60/35/09/600603509.db2.gz	RJKDWFDVYVPPLA-GFCCVEGCSA-N	-1	0	301.258	0.493	20	30		DCEDRM
C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)S(C)(=O)=O	ZINC000736226021	600612492	/nfs/dbraw/zinc/61/24/92/600612492.db2.gz	CWCRXMWFJWFUHR-LDYMZIIASA-N	-1	0	311.315	0.660	20	30		DCEDRM
COc1c(C)cc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1C	ZINC000737840205	600796162	/nfs/dbraw/zinc/79/61/62/600796162.db2.gz	TUGGDZWRMXKWLI-UHFFFAOYSA-N	-1	0	312.347	0.911	20	30		DCEDRM
COc1ccc(NC(=O)NC(=O)CN(CC#N)CC(=O)[O-])cc1	ZINC000832398465	601004960	/nfs/dbraw/zinc/00/49/60/601004960.db2.gz	MDNLSIOQEQTVPZ-UHFFFAOYSA-N	-1	0	320.305	0.253	20	30		DCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCCOc1ccc(F)cc1	ZINC000833067134	601007412	/nfs/dbraw/zinc/00/74/12/601007412.db2.gz	PZSDCRKMUNATSL-UHFFFAOYSA-N	-1	0	309.297	0.231	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)CCC#N	ZINC000826807124	601120040	/nfs/dbraw/zinc/12/00/40/601120040.db2.gz	MYGLUBACWCWNKH-WDEREUQCSA-N	-1	0	313.354	0.972	20	30		DCEDRM
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@@H](C(=O)[O-])C1	ZINC000818500511	601314533	/nfs/dbraw/zinc/31/45/33/601314533.db2.gz	NTVSWVWTOFZLHU-CHWSQXEVSA-N	-1	0	304.302	0.558	20	30		DCEDRM
COC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC000831112505	601315733	/nfs/dbraw/zinc/31/57/33/601315733.db2.gz	ABOUHEFLEPAYQT-QWHCGFSZSA-N	-1	0	304.302	0.558	20	30		DCEDRM
CC(=O)NC[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1	ZINC000825875668	601318558	/nfs/dbraw/zinc/31/85/58/601318558.db2.gz	IPPXEMYPOXYEJW-LSDHHAIUSA-N	-1	0	317.345	0.521	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)C2CC(=O)NC(=O)C2)C(=O)[O-])c1	ZINC000833074843	601352167	/nfs/dbraw/zinc/35/21/67/601352167.db2.gz	FIOKFHUUTMKBOM-CYBMUJFWSA-N	-1	0	316.269	0.280	20	30		DCEDRM
C#CCN(CC#C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1OC	ZINC000825608594	601434635	/nfs/dbraw/zinc/43/46/35/601434635.db2.gz	FFAJNGCCSBMDES-CQSZACIVSA-N	-1	0	317.341	0.702	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000825994730	601461523	/nfs/dbraw/zinc/46/15/23/601461523.db2.gz	JITVNHGBAUXXCN-TYNCELHUSA-N	-1	0	311.382	0.605	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000833073027	601490925	/nfs/dbraw/zinc/49/09/25/601490925.db2.gz	DPAMDLIRCODNFZ-LBPRGKRZSA-N	-1	0	317.301	0.199	20	30		DCEDRM
CC1(OCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCC1	ZINC000824844263	607512796	/nfs/dbraw/zinc/51/27/96/607512796.db2.gz	UNLOXYAYZYCFQQ-UHFFFAOYSA-N	-1	0	302.298	0.359	20	30		DCEDRM
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000831085019	601573881	/nfs/dbraw/zinc/57/38/81/601573881.db2.gz	VOWSPGBVUOUOEB-DZGCQCFKSA-N	-1	0	318.329	0.948	20	30		DCEDRM
N#CCCN(CCC#N)CC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000833065761	601583773	/nfs/dbraw/zinc/58/37/73/601583773.db2.gz	LPKRLWMWNHFHIZ-UHFFFAOYSA-N	-1	0	321.362	0.838	20	30		DCEDRM
Cc1cc(S(=O)(=O)N(CC#N)CC(=O)[O-])c(F)cc1F	ZINC000832901463	601835639	/nfs/dbraw/zinc/83/56/39/601835639.db2.gz	YJIYUAWBIJXIOY-UHFFFAOYSA-N	-1	0	304.274	0.872	20	30		DCEDRM
COC(=O)c1cc(NCC(=O)NCCC#N)ccc1C(=O)[O-]	ZINC000831323002	601909410	/nfs/dbraw/zinc/90/94/10/601909410.db2.gz	PEEVOAKYOUFKBD-UHFFFAOYSA-N	-1	0	305.290	0.613	20	30		DCEDRM
C#Cc1cccc(N(CC(=O)NC)C(=O)C[C@H](C)NC(=O)[O-])c1	ZINC000823466508	602951410	/nfs/dbraw/zinc/95/14/10/602951410.db2.gz	CDUWEQAOQMJTCT-NSHDSACASA-N	-1	0	317.345	0.793	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)CC2CN(C(=O)[O-])C2)c1	ZINC000823473270	603564044	/nfs/dbraw/zinc/56/40/44/603564044.db2.gz	CKSMOZYIDWIKDM-UHFFFAOYSA-N	-1	0	315.329	0.723	20	30		DCEDRM
CC(C)(C)n1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cn1	ZINC000823875548	603591618	/nfs/dbraw/zinc/59/16/18/603591618.db2.gz	BLILBBLXQOASDL-LLVKDONJSA-N	-1	0	305.338	0.966	20	30		DCEDRM
CN1CCN(C(=O)Nc2cccc(C#N)c2)[C@H](CNC(=O)[O-])C1	ZINC000828506107	603596814	/nfs/dbraw/zinc/59/68/14/603596814.db2.gz	DLPNKHIAXBTFJX-CYBMUJFWSA-N	-1	0	317.349	0.974	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CC1	ZINC000831102556	603688100	/nfs/dbraw/zinc/68/81/00/603688100.db2.gz	NIEWJVDIHZVATK-STQMWFEESA-N	-1	0	308.382	0.774	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)NCc1ccc(F)cc1	ZINC000831092086	603728355	/nfs/dbraw/zinc/72/83/55/603728355.db2.gz	POHFSDUQAOVWRP-CYBMUJFWSA-N	-1	0	320.324	0.630	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)NC1(C#N)CCCCC1	ZINC000831091343	603729122	/nfs/dbraw/zinc/72/91/22/603729122.db2.gz	BSKXCYSLBNOTCG-LBPRGKRZSA-N	-1	0	319.365	0.517	20	30		DCEDRM
N#CCN1CCC(NC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])CC1	ZINC000831102807	603775768	/nfs/dbraw/zinc/77/57/68/603775768.db2.gz	VDUQMIPNJDRLOR-YPMHNXCESA-N	-1	0	323.397	0.710	20	30		DCEDRM
N#Cc1cnn(CCOC(=O)C2(CNC(=O)[O-])CCCC2)c1N	ZINC000831162211	603786338	/nfs/dbraw/zinc/78/63/38/603786338.db2.gz	XJWLXIQCQFEHDO-UHFFFAOYSA-N	-1	0	321.337	0.708	20	30		DCEDRM
C[C@H](OC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-])C(=O)N(C)CCC#N	ZINC000825560754	603842857	/nfs/dbraw/zinc/84/28/57/603842857.db2.gz	KBVYZLOOLJOTGS-HBNTYKKESA-N	-1	0	311.338	0.726	20	30		DCEDRM
CC1CCN(S(=O)(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)CC1	ZINC000825954982	603915291	/nfs/dbraw/zinc/91/52/91/603915291.db2.gz	DHXVOSRAGRLUDR-LLVKDONJSA-N	-1	0	316.383	0.151	20	30		DCEDRM
N#CCNC(=O)COC(=O)[C@@H](CNC(=O)[O-])c1ccccc1	ZINC000831102722	603922984	/nfs/dbraw/zinc/92/29/84/603922984.db2.gz	RUTTWRHCFYXHFN-NSHDSACASA-N	-1	0	305.290	0.221	20	30		DCEDRM
C=CCC(CC=C)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1	ZINC000823490647	604033726	/nfs/dbraw/zinc/03/37/26/604033726.db2.gz	IOEIGQWAGUICSB-UHFFFAOYSA-N	-1	0	309.366	0.693	20	30		DCEDRM
Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000830353483	604065768	/nfs/dbraw/zinc/06/57/68/604065768.db2.gz	RKPLXGCCOUXGBW-GFCCVEGCSA-N	-1	0	316.317	0.648	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCc2c[nH]nc2C1	ZINC000831077050	604067540	/nfs/dbraw/zinc/06/75/40/604067540.db2.gz	VZCBAQPBGOWQAK-KOLCDFICSA-N	-1	0	303.322	0.229	20	30		DCEDRM
C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825093461	604068315	/nfs/dbraw/zinc/06/83/15/604068315.db2.gz	NJUWLCDATUUARL-JQWIXIFHSA-N	-1	0	322.365	0.396	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1Cc2cc(F)ccc2O1	ZINC000831076080	604071383	/nfs/dbraw/zinc/07/13/83/604071383.db2.gz	GKJSZCIEXQTBLH-AAEUAGOBSA-N	-1	0	319.292	0.844	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccccc1	ZINC000831076240	604081893	/nfs/dbraw/zinc/08/18/93/604081893.db2.gz	ILOJAQMUYUXSFO-LLVKDONJSA-N	-1	0	302.290	0.339	20	30		DCEDRM
Cc1noc2ncc(C(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)cc12	ZINC000830930268	604083418	/nfs/dbraw/zinc/08/34/18/604083418.db2.gz	PWVGSSUVACBTRO-SNVBAGLBSA-N	-1	0	315.289	0.859	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)[C@]1(C)CCN(C(=O)[O-])C1)C1CC1	ZINC000825684885	604107168	/nfs/dbraw/zinc/10/71/68/604107168.db2.gz	MERYHXIJNMLONS-CABCVRRESA-N	-1	0	323.349	0.728	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000831109754	604155747	/nfs/dbraw/zinc/15/57/47/604155747.db2.gz	SJXRWJVGPCMNAQ-LLVKDONJSA-N	-1	0	314.301	0.917	20	30		DCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000823506659	604221144	/nfs/dbraw/zinc/22/11/44/604221144.db2.gz	JPHDAVUMVVEJEL-WDEREUQCSA-N	-1	0	309.322	0.156	20	30		DCEDRM
CNC(=O)[C@H](C#N)C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-]	ZINC000828520348	604224291	/nfs/dbraw/zinc/22/42/91/604224291.db2.gz	ANLYASBFKFPACY-VXGBXAGGSA-N	-1	0	303.318	0.710	20	30		DCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC000824887929	604240631	/nfs/dbraw/zinc/24/06/31/604240631.db2.gz	FMDSYXBBJDGLAD-XPTSAGLGSA-N	-1	0	311.338	0.584	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000831142309	604245250	/nfs/dbraw/zinc/24/52/50/604245250.db2.gz	VXONVTCWECYGEP-LLVKDONJSA-N	-1	0	320.330	0.435	20	30		DCEDRM
N#Cc1ncn(CC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])n1	ZINC000833078443	604337877	/nfs/dbraw/zinc/33/78/77/604337877.db2.gz	KMPBNIGKRRQPHW-GHMZBOCLSA-N	-1	0	305.338	0.690	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCO1	ZINC000825350254	604364827	/nfs/dbraw/zinc/36/48/27/604364827.db2.gz	HQHOWZYBIGWXDW-NILFDRSVSA-N	-1	0	319.361	0.949	20	30		DCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C	ZINC000736380566	604384730	/nfs/dbraw/zinc/38/47/30/604384730.db2.gz	HGDJSIBHZRKAAU-FZMZJTMJSA-N	-1	0	313.354	0.876	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1	ZINC000833364622	604464747	/nfs/dbraw/zinc/46/47/47/604464747.db2.gz	QQORCRZJASVIID-UHFFFAOYSA-N	-1	0	312.347	0.226	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)CCCCC#N)CCO1	ZINC000825359472	604492696	/nfs/dbraw/zinc/49/26/96/604492696.db2.gz	LREZQVUXFCFMMC-QWRGUYRKSA-N	-1	0	319.383	0.367	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1	ZINC000833070565	604597907	/nfs/dbraw/zinc/59/79/07/604597907.db2.gz	MRGASVAIZMLSQT-CYBMUJFWSA-N	-1	0	315.329	0.754	20	30		DCEDRM
COc1cc(OC)cc(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000832096124	604652127	/nfs/dbraw/zinc/65/21/27/604652127.db2.gz	ZVXBQEPBTIUTBM-UHFFFAOYSA-N	-1	0	314.319	0.303	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)C1(NC(=O)[O-])CC1	ZINC000825544772	604762736	/nfs/dbraw/zinc/76/27/36/604762736.db2.gz	ORZGNIYBSNMXKS-ZANVPECISA-N	-1	0	311.338	0.773	20	30		DCEDRM
CC(=NN=c1cc[nH]c(N(C)C)n1)c1cn(CC(=O)[O-])nn1	ZINC000825809567	604787520	/nfs/dbraw/zinc/78/75/20/604787520.db2.gz	ZUNFMCBHPDLAFX-UHFFFAOYSA-N	-1	0	304.314	0.055	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)C2CCC(C(=O)[O-])CC2)CC1	ZINC000833365955	605083954	/nfs/dbraw/zinc/08/39/54/605083954.db2.gz	ZCDRNADKWHAFSN-UHFFFAOYSA-N	-1	0	320.389	0.865	20	30		DCEDRM
N#Cc1ccsc1NC(=O)Cn1nnnc1CNC(=O)[O-]	ZINC000831156831	605174126	/nfs/dbraw/zinc/17/41/26/605174126.db2.gz	MBMAVUOIPKSAMD-UHFFFAOYSA-N	-1	0	307.295	0.013	20	30		DCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNC1CCS(=O)(=O)CC1	ZINC000833406879	605204199	/nfs/dbraw/zinc/20/41/99/605204199.db2.gz	PKMZOWHUKSJWHQ-JTQLQIEISA-N	-1	0	313.379	0.634	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC000833376821	605210623	/nfs/dbraw/zinc/21/06/23/605210623.db2.gz	RIWYNIICZSYBBN-UHFFFAOYSA-N	-1	0	312.347	0.106	20	30		DCEDRM
N#C[C@]1(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CCSC1	ZINC000831075996	605263451	/nfs/dbraw/zinc/26/34/51/605263451.db2.gz	FQTUBWPCNLSGEK-ZWNOBZJWSA-N	-1	0	313.379	0.661	20	30		DCEDRM
N#CCN1CCC(CNC(=O)CCOC2CN(C(=O)[O-])C2)CC1	ZINC000833967620	605309789	/nfs/dbraw/zinc/30/97/89/605309789.db2.gz	SLOOWUKQSYOALD-UHFFFAOYSA-N	-1	0	324.381	0.107	20	30		DCEDRM
N#CC1(NC(=O)COC(=O)C=C2CN(C(=O)[O-])C2)CCCCC1	ZINC000833963272	605313953	/nfs/dbraw/zinc/31/39/53/605313953.db2.gz	KQWPVBWHNAYWGK-UHFFFAOYSA-N	-1	0	321.333	0.792	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)COC(=O)C=C1CN(C(=O)[O-])C1	ZINC000833965123	605314477	/nfs/dbraw/zinc/31/44/77/605314477.db2.gz	AIKQQJIRZICKTA-UHFFFAOYSA-N	-1	0	320.305	0.106	20	30		DCEDRM
C[C@@]1(C#N)CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1	ZINC000833550678	605416217	/nfs/dbraw/zinc/41/62/17/605416217.db2.gz	CKGLKUBRQYKMMR-LBPRGKRZSA-N	-1	0	312.351	0.282	20	30		DCEDRM
C[C@]1(C#N)CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1	ZINC000833550676	605416423	/nfs/dbraw/zinc/41/64/23/605416423.db2.gz	CKGLKUBRQYKMMR-GFCCVEGCSA-N	-1	0	312.351	0.282	20	30		DCEDRM
N#CCNC(=O)COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[O-]	ZINC000833966912	605420245	/nfs/dbraw/zinc/42/02/45/605420245.db2.gz	MIBDPDOVWRNDEN-GFCCVEGCSA-N	-1	0	317.301	0.274	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000819706163	605498180	/nfs/dbraw/zinc/49/81/80/605498180.db2.gz	PMUUJBGCUQFLLC-UHFFFAOYSA-N	-1	0	304.302	0.018	20	30		DCEDRM
C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NC1CCN(CC#N)CC1	ZINC000825817983	605527169	/nfs/dbraw/zinc/52/71/69/605527169.db2.gz	VBJLBNSRNVWFJE-AAEUAGOBSA-N	-1	0	323.397	0.804	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000833974103	605632300	/nfs/dbraw/zinc/63/23/00/605632300.db2.gz	GBTVWUIXXCAQBZ-NSHDSACASA-N	-1	0	316.317	0.613	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@H](O)COCc1ccccc1	ZINC000833966806	605672175	/nfs/dbraw/zinc/67/21/75/605672175.db2.gz	NYTWXHTUMCHEPP-ILXRZTDVSA-N	-1	0	319.361	0.656	20	30		DCEDRM
N#Cc1ncn(CC(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)n1	ZINC000831162167	605709925	/nfs/dbraw/zinc/70/99/25/605709925.db2.gz	XDCJTAKUPZAEDT-JTQLQIEISA-N	-1	0	306.326	0.046	20	30		DCEDRM
N#Cc1ncn(CC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)n1	ZINC000831161629	605752877	/nfs/dbraw/zinc/75/28/77/605752877.db2.gz	HDERSICLWZRZEZ-NSHDSACASA-N	-1	0	314.305	0.275	20	30		DCEDRM
C[C@H]1CCCN(C(=O)Cn2cnc(C#N)n2)[C@@H]1CNC(=O)[O-]	ZINC000825914083	605764733	/nfs/dbraw/zinc/76/47/33/605764733.db2.gz	XASPUKRBCKFZOC-VHSXEESVSA-N	-1	0	306.326	0.044	20	30		DCEDRM
N#CC1(COC(=O)[C@@H]2CSCN2C(=O)[O-])CCOCC1	ZINC000833964726	605781376	/nfs/dbraw/zinc/78/13/76/605781376.db2.gz	NYDLTICGXBRZNG-VIFPVBQESA-N	-1	0	300.336	0.903	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1	ZINC000825219726	605783781	/nfs/dbraw/zinc/78/37/81/605783781.db2.gz	OQIJONCXOSIYMA-ZJUUUORDSA-N	-1	0	306.326	0.044	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@@H](CNC(=O)[O-])C2CC2)cc1	ZINC000833972606	605840078	/nfs/dbraw/zinc/84/00/78/605840078.db2.gz	FMEWRVDRZOIQDD-QWHCGFSZSA-N	-1	0	303.318	0.754	20	30		DCEDRM
N#CCCNC(=O)COC(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833965795	605881926	/nfs/dbraw/zinc/88/19/26/605881926.db2.gz	SLXSQXFXKONONK-JTQLQIEISA-N	-1	0	309.322	0.340	20	30		DCEDRM
N#C[C@@]1(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])CCSC1	ZINC000831070943	605882553	/nfs/dbraw/zinc/88/25/53/605882553.db2.gz	VJNQCJAFBVRPIF-SKDRFNHKSA-N	-1	0	315.420	0.987	20	30		DCEDRM
N#C[C@H]1CSCCN1C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000833966246	605972740	/nfs/dbraw/zinc/97/27/40/605972740.db2.gz	ITEVRMMGAIBZRX-UWVGGRQHSA-N	-1	0	315.420	0.939	20	30		DCEDRM
N#Cc1c(NC(=O)CN(C(=O)[O-])C2CC2)nc2n1CCS2	ZINC000833970335	605973703	/nfs/dbraw/zinc/97/37/03/605973703.db2.gz	QIRSGVRJGLFKML-UHFFFAOYSA-N	-1	0	307.335	0.941	20	30		DCEDRM
O=C([O-])N1CCC[C@@H](CN=Nc2nc3[nH][nH]cc-3c(=O)n2)C1	ZINC000834098981	606054181	/nfs/dbraw/zinc/05/41/81/606054181.db2.gz	MNXABKTWTQSOQH-ZETCQYMHSA-N	-1	0	305.298	0.220	20	30		DCEDRM
C=C[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000819729740	606895266	/nfs/dbraw/zinc/89/52/66/606895266.db2.gz	LUZAQJVVQPOUTA-ZCFIWIBFSA-N	-1	0	315.305	0.998	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cnc3ccccn32)[n-]c1-c1nn[nH]n1	ZINC000826382583	608116438	/nfs/dbraw/zinc/11/64/38/608116438.db2.gz	KZKUGXYVUSKPAW-UHFFFAOYSA-N	-1	0	320.276	0.361	20	30		DCEDRM
CS[C@@H](C)CCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000826225585	608355249	/nfs/dbraw/zinc/35/52/49/608355249.db2.gz	FMQDZBAPXZDKTG-LURJTMIESA-N	-1	0	306.355	0.932	20	30		DCEDRM
N#CCN[C@H]1CCC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC000981373044	661139771	/nfs/dbraw/zinc/13/97/71/661139771.db2.gz	DPCCXTPXHJAEGF-WDEREUQCSA-N	-1	0	314.349	0.177	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001028145031	661237426	/nfs/dbraw/zinc/23/74/26/661237426.db2.gz	OCGISSCBSRMQHG-TUAOUCFPSA-N	-1	0	321.381	0.182	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)[C@@H](CCC)C(=O)OCC	ZINC000838894348	667718736	/nfs/dbraw/zinc/71/87/36/667718736.db2.gz	LZWBQUZDBYLRQY-NSHDSACASA-N	-1	0	303.380	0.968	20	30		DCEDRM
C#CCNC(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[nH]2)C1	ZINC000891567405	657488640	/nfs/dbraw/zinc/48/86/40/657488640.db2.gz	IAFWYWONIQWZRX-LLVKDONJSA-N	-1	0	303.366	0.817	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CC[C@@H](NCC#N)C2)cc1=O	ZINC000969227259	657604815	/nfs/dbraw/zinc/60/48/15/657604815.db2.gz	XGHGYBWZUCUUNG-GFCCVEGCSA-N	-1	0	305.382	0.089	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000176079128	657916553	/nfs/dbraw/zinc/91/65/53/657916553.db2.gz	CSFLKNKGJRIROP-VIFPVBQESA-N	-1	0	302.359	0.961	20	30		DCEDRM
CN(CC(=O)[N-]S(C)(=O)=O)S(=O)(=O)c1ccccc1	ZINC000048481039	658050016	/nfs/dbraw/zinc/05/00/16/658050016.db2.gz	SMODBQHEIWCVDV-UHFFFAOYSA-N	-1	0	306.365	0.223	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)N1CCc2ccccc2C1	ZINC000092480063	658632464	/nfs/dbraw/zinc/63/24/64/658632464.db2.gz	NYABQOJVUAOCCQ-UHFFFAOYSA-N	-1	0	308.359	0.309	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000783126079	659075962	/nfs/dbraw/zinc/07/59/62/659075962.db2.gz	MPKZTAZCRLKORJ-DGCLKSJQSA-N	-1	0	305.396	0.698	20	30		DCEDRM
C=CCn1cccc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC000974239773	659270298	/nfs/dbraw/zinc/27/02/98/659270298.db2.gz	RCIZLOLMFIILCA-PHIMTYICSA-N	-1	0	314.349	0.483	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@@H](CCSC)NS(=O)(=O)CC	ZINC000856031291	659412465	/nfs/dbraw/zinc/41/24/65/659412465.db2.gz	KBLHXCHDBJPDPV-SNVBAGLBSA-N	-1	0	310.441	0.671	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)c1[O-]	ZINC000977589570	659772411	/nfs/dbraw/zinc/77/24/11/659772411.db2.gz	WWCWLNLVNLMVQT-GFCCVEGCSA-N	-1	0	316.361	0.510	20	30		DCEDRM
N#CCn1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)cn1	ZINC000747407789	661659929	/nfs/dbraw/zinc/65/99/29/661659929.db2.gz	UUVQUDOBZNVPRF-UHFFFAOYSA-N	-1	0	318.314	0.878	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000263540359	662714175	/nfs/dbraw/zinc/71/41/75/662714175.db2.gz	CFQSHXVIOUGSTE-NSHDSACASA-N	-1	0	321.399	0.182	20	30		DCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000729912337	662912503	/nfs/dbraw/zinc/91/25/03/662912503.db2.gz	UWKPJSCAUYOOFR-UHFFFAOYSA-N	-1	0	311.363	0.904	20	30		DCEDRM
C#Cc1cccc(NC(=O)NCCOCCOCC(=O)[O-])c1	ZINC000899308631	663136127	/nfs/dbraw/zinc/13/61/27/663136127.db2.gz	IDUQZRQYLUDJFH-UHFFFAOYSA-N	-1	0	306.318	0.907	20	30		DCEDRM
CN(C)S(=O)(=O)c1cccc(C(=O)[N-]S(C)(=O)=O)c1	ZINC000042279818	663190212	/nfs/dbraw/zinc/19/02/12/663190212.db2.gz	YJHVSHDTRSQPCP-UHFFFAOYSA-N	-1	0	306.365	0.201	20	30		DCEDRM
C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899925676	663201077	/nfs/dbraw/zinc/20/10/77/663201077.db2.gz	GCRXAOISMBNWPM-SRVKXCTJSA-N	-1	0	301.364	0.294	20	30		DCEDRM
CCn1cnc(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)c1	ZINC000899926048	663201085	/nfs/dbraw/zinc/20/10/85/663201085.db2.gz	KIYBIUIUCIQJPA-NSHDSACASA-N	-1	0	311.363	0.392	20	30		DCEDRM
CCOC[C@H](C)CS(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899926418	663201213	/nfs/dbraw/zinc/20/12/13/663201213.db2.gz	LIBFTABNDCPDQJ-QWHCGFSZSA-N	-1	0	317.407	0.789	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000899938427	663202799	/nfs/dbraw/zinc/20/27/99/663202799.db2.gz	JXBAJUIISPNUOF-GDGBQDQQSA-N	-1	0	310.306	0.648	20	30		DCEDRM
C#CCSCCNC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC000900292383	663232241	/nfs/dbraw/zinc/23/22/41/663232241.db2.gz	ZCRYYGXTILIDLP-CYBMUJFWSA-N	-1	0	310.379	0.392	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N(CC(=O)[O-])CC(F)(F)F	ZINC000905987987	663594197	/nfs/dbraw/zinc/59/41/97/663594197.db2.gz	FUMZSGJETSBGMM-UHFFFAOYSA-N	-1	0	302.274	0.815	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)[C@H]2CCO[C@H](C)C2)C1	ZINC000906007003	663595344	/nfs/dbraw/zinc/59/53/44/663595344.db2.gz	PAWQHDQXKJFWOU-MNOVXSKESA-N	-1	0	303.380	0.846	20	30		DCEDRM
N#CC1(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CCSCC1	ZINC000907640831	663709363	/nfs/dbraw/zinc/70/93/63/663709363.db2.gz	WKFSNMVGPDVCAO-XHDPSFHLSA-N	-1	0	324.402	0.973	20	30		DCEDRM
C=CCCC(=O)[C@H]1CCCN1C(=O)c1cnc([O-])n(C)c1=O	ZINC000908652342	663764968	/nfs/dbraw/zinc/76/49/68/663764968.db2.gz	NCPNXFYNZWPEPW-LLVKDONJSA-N	-1	0	305.334	0.626	20	30		DCEDRM
C#CCSCCNC(=O)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC000909051510	663779834	/nfs/dbraw/zinc/77/98/34/663779834.db2.gz	AUNLOEBKJVHSPT-GFCCVEGCSA-N	-1	0	314.407	0.922	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC)C(=O)[O-]	ZINC000909193775	663786304	/nfs/dbraw/zinc/78/63/04/663786304.db2.gz	LFGMCXXWGRQWOB-RHYQMDGZSA-N	-1	0	300.355	0.897	20	30		DCEDRM
C=CCC[C@H](NC(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1OC)C(=O)[O-]	ZINC000909196380	663786610	/nfs/dbraw/zinc/78/66/10/663786610.db2.gz	RCDGELXBXOSWPN-IRCOFANPSA-N	-1	0	300.355	0.897	20	30		DCEDRM
C#CCCCCC(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000909202579	663786956	/nfs/dbraw/zinc/78/69/56/663786956.db2.gz	ZXQTXGLSTJSWIB-UHFFFAOYSA-N	-1	0	308.378	0.962	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000909245342	663787796	/nfs/dbraw/zinc/78/77/96/663787796.db2.gz	CNTSMUWGGCMARM-RVMXOQNASA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnc(COC)s1)C(=O)[O-]	ZINC000909770948	663800517	/nfs/dbraw/zinc/80/05/17/663800517.db2.gz	JNQXTZHLKZTHPT-MRVPVSSYSA-N	-1	0	300.336	0.675	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCc2cnn(C)c2C1)C(=O)[O-]	ZINC000909772683	663800751	/nfs/dbraw/zinc/80/07/51/663800751.db2.gz	UVTAGOKZQWXWRV-PWSUYJOCSA-N	-1	0	307.350	0.297	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[O-]	ZINC000910055093	663837875	/nfs/dbraw/zinc/83/78/75/663837875.db2.gz	XKDHABJPKOLQGZ-MNOVXSKESA-N	-1	0	310.350	0.979	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc2c(c1)CCN2C(C)=O)C(=O)[O-]	ZINC000910053878	663837913	/nfs/dbraw/zinc/83/79/13/663837913.db2.gz	YYFBGLQKUMGNQT-ZDUSSCGKSA-N	-1	0	300.314	0.802	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cn(CC(F)(F)F)nc1C)C(=O)[O-]	ZINC000910048739	663840171	/nfs/dbraw/zinc/84/01/71/663840171.db2.gz	NOKISASBXASGQX-VIFPVBQESA-N	-1	0	303.240	0.960	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)COCc1nccn1C)C(=O)[O-]	ZINC000910265617	663862165	/nfs/dbraw/zinc/86/21/65/663862165.db2.gz	IKNNIAGICYVTEC-SECBINFHSA-N	-1	0	301.730	0.649	20	30		DCEDRM
C#CCCN1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000910347290	663872302	/nfs/dbraw/zinc/87/23/02/663872302.db2.gz	WWKADPQWJBVKDK-UHFFFAOYSA-N	-1	0	304.306	0.833	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC000910924872	663956354	/nfs/dbraw/zinc/95/63/54/663956354.db2.gz	FXPGCRPFTFTTTL-ZYHUDNBSSA-N	-1	0	306.366	0.846	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC000910925643	663956375	/nfs/dbraw/zinc/95/63/75/663956375.db2.gz	MVFUHMKFWLXYDS-MNOVXSKESA-N	-1	0	320.336	0.878	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC000910925644	663956392	/nfs/dbraw/zinc/95/63/92/663956392.db2.gz	MVFUHMKFWLXYDS-QWRGUYRKSA-N	-1	0	320.336	0.878	20	30		DCEDRM
N#Cc1nc(NC(=O)C[C@H]2Oc3ccccc3NC2=O)[n-]c1C#N	ZINC000914532298	664802356	/nfs/dbraw/zinc/80/23/56/664802356.db2.gz	FLABCRBBPPNIMO-GFCCVEGCSA-N	-1	0	322.284	0.881	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])n1C	ZINC000916870638	665098115	/nfs/dbraw/zinc/09/81/15/665098115.db2.gz	LUMMWFPFHJXBHF-SECBINFHSA-N	-1	0	308.294	0.408	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cccc(C(N)=O)c1	ZINC000916869647	665098132	/nfs/dbraw/zinc/09/81/32/665098132.db2.gz	YNYYBLQMSWNKAF-CYBMUJFWSA-N	-1	0	317.345	0.651	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(OC)cc(OC)c1	ZINC000916888886	665099092	/nfs/dbraw/zinc/09/90/92/665099092.db2.gz	BSACALGRWLHAII-CYBMUJFWSA-N	-1	0	306.318	0.789	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)cc1	ZINC000916889179	665099231	/nfs/dbraw/zinc/09/92/31/665099231.db2.gz	KQSBDLUIXJOSHC-ZDUSSCGKSA-N	-1	0	303.318	0.730	20	30		DCEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1S(C)(=O)=O	ZINC000916931506	665101584	/nfs/dbraw/zinc/10/15/84/665101584.db2.gz	QVBMXLGFMWJSTD-GFCCVEGCSA-N	-1	0	320.370	1.000	20	30		DCEDRM
C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc([O-])n(C)c1=O	ZINC001032557035	665348463	/nfs/dbraw/zinc/34/84/63/665348463.db2.gz	IWFZITFFJQEOJM-UWVGGRQHSA-N	-1	0	324.768	0.137	20	30		DCEDRM
N#CCN1CCC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC001003964195	666416291	/nfs/dbraw/zinc/41/62/91/666416291.db2.gz	GSZWPWDWLXKMLE-UHFFFAOYSA-N	-1	0	301.306	0.646	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1	ZINC000733684250	666801241	/nfs/dbraw/zinc/80/12/41/666801241.db2.gz	ULZSLYFMVMPDGU-UHFFFAOYSA-N	-1	0	311.363	0.626	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)CCOCC1	ZINC000861159509	666906191	/nfs/dbraw/zinc/90/61/91/666906191.db2.gz	WKJNRDGWSCOIQC-UHFFFAOYSA-N	-1	0	322.333	0.941	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(C(=O)NC)cc1OC	ZINC000861898956	666993508	/nfs/dbraw/zinc/99/35/08/666993508.db2.gz	MGMBZBYNGDEXRO-UHFFFAOYSA-N	-1	0	321.333	0.617	20	30		DCEDRM
CC(C)CNC(=S)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863209044	667117784	/nfs/dbraw/zinc/11/77/84/667117784.db2.gz	DPDBMAFMLQSVDT-UHFFFAOYSA-N	-1	0	307.379	0.208	20	30		DCEDRM
C#CCNC(=O)c1ccc(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)nc1	ZINC000863734483	667173544	/nfs/dbraw/zinc/17/35/44/667173544.db2.gz	RLSMLOSODXNMOC-AAEUAGOBSA-N	-1	0	301.346	0.992	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2ccc(-n3cncn3)cc2)c1=O	ZINC000863964928	667203533	/nfs/dbraw/zinc/20/35/33/667203533.db2.gz	FKGMSKRTUSETCU-UHFFFAOYSA-N	-1	0	313.346	0.698	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000864185203	667222932	/nfs/dbraw/zinc/22/29/32/667222932.db2.gz	WCFUOYAXFHRZEC-MRVPVSSYSA-N	-1	0	302.674	0.503	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC000864183730	667223030	/nfs/dbraw/zinc/22/30/30/667223030.db2.gz	UNZICRZBSYLYPC-PSASIEDQSA-N	-1	0	300.742	0.709	20	30		DCEDRM
C#CCOc1cccc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1	ZINC000864582609	667263398	/nfs/dbraw/zinc/26/33/98/667263398.db2.gz	DBELQAHRDONZPU-DGCLKSJQSA-N	-1	0	304.302	0.750	20	30		DCEDRM
CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1	ZINC000923104808	667462070	/nfs/dbraw/zinc/46/20/70/667462070.db2.gz	ZIOKNOLSWBZTTQ-OAHLLOKOSA-N	-1	0	309.366	0.314	20	30		DCEDRM
C=CCO[N-]C(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1	ZINC000868764584	667598083	/nfs/dbraw/zinc/59/80/83/667598083.db2.gz	SNNFKEVFMAPCBI-UHFFFAOYSA-N	-1	0	311.338	0.986	20	30		DCEDRM
CN(C(=O)c1ccc2oc(=O)nc-2[n-]1)C1CCN(CC#N)CC1	ZINC001006289290	667610968	/nfs/dbraw/zinc/61/09/68/667610968.db2.gz	LJDBADOFHPJQHH-UHFFFAOYSA-N	-1	0	315.333	0.988	20	30		DCEDRM
C=C[C@@H](CC(=O)[N-]S(=O)(=O)CC(=O)OC)c1ccccc1	ZINC000838802464	667708520	/nfs/dbraw/zinc/70/85/20/667708520.db2.gz	SWZNPHODCZBJMS-NSHDSACASA-N	-1	0	311.359	0.965	20	30		DCEDRM
Cc1nnc(CN(C)CC(=O)[N-]Oc2cccc(C#N)c2)n1C	ZINC000870692334	667751994	/nfs/dbraw/zinc/75/19/94/667751994.db2.gz	AECXVINWFCYGRW-UHFFFAOYSA-N	-1	0	314.349	0.537	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)OC)n2C)CC1	ZINC000870838431	667765522	/nfs/dbraw/zinc/76/55/22/667765522.db2.gz	YPQXFFCQALZTAU-UHFFFAOYSA-N	-1	0	312.347	0.590	20	30		DCEDRM
Cc1c(C([O-])=C(C#N)C(=O)NCCCOC(C)C)nnn1C	ZINC000744023222	667819445	/nfs/dbraw/zinc/81/94/45/667819445.db2.gz	FPMCAJFXIGZESL-NSHDSACASA-N	-1	0	307.354	0.377	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000871973446	667860846	/nfs/dbraw/zinc/86/08/46/667860846.db2.gz	XERNZRFPAJWMRS-NSHDSACASA-N	-1	0	313.306	0.547	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000871973149	667861229	/nfs/dbraw/zinc/86/12/29/667861229.db2.gz	MUJRTCYAFZATSA-SECBINFHSA-N	-1	0	313.306	0.547	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])O1)C2	ZINC000873001666	667963296	/nfs/dbraw/zinc/96/32/96/667963296.db2.gz	RMBBLXHNSWHSBB-MGPQQGTHSA-N	-1	0	300.314	0.774	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1cnn(C)c1	ZINC000750678246	667984793	/nfs/dbraw/zinc/98/47/93/667984793.db2.gz	NCXAYLJGEDBQDL-JTQLQIEISA-N	-1	0	318.358	0.900	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)C[C@H]1CCOC1	ZINC000754018134	668039986	/nfs/dbraw/zinc/03/99/86/668039986.db2.gz	YQWZDCZCBNSAHK-SECBINFHSA-N	-1	0	312.322	0.929	20	30		DCEDRM
N#Cc1c(NCCCc2n[nH]c(=O)[n-]2)cccc1S(N)(=O)=O	ZINC000755001510	668054414	/nfs/dbraw/zinc/05/44/14/668054414.db2.gz	LGOBSDIBQCSEON-UHFFFAOYSA-N	-1	0	322.350	0.074	20	30		DCEDRM
Cc1nnc(N=NCCN2C(=O)c3ccccc3C2=O)[n-]c1=O	ZINC000755523080	668061796	/nfs/dbraw/zinc/06/17/96/668061796.db2.gz	DSRDVKRPUQJSRA-UHFFFAOYSA-N	-1	0	312.289	0.580	20	30		DCEDRM
C#C[C@H](NC(=O)N1CC[C@](COC)(C(=O)[O-])C1)[C@H]1CCCO1	ZINC000874397721	668180400	/nfs/dbraw/zinc/18/04/00/668180400.db2.gz	APARMCHFQQGFDN-ZOWXZIJZSA-N	-1	0	310.350	0.300	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)OC1CCN(CC#N)CC1	ZINC000759581035	668227320	/nfs/dbraw/zinc/22/73/20/668227320.db2.gz	CDJURCGYSPGWJE-UHFFFAOYSA-N	-1	0	321.299	0.975	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)C2CCN(S(N)(=O)=O)CC2)c1	ZINC000759720366	668233852	/nfs/dbraw/zinc/23/38/52/668233852.db2.gz	BASGQDFESGTFDN-UHFFFAOYSA-N	-1	0	324.362	0.118	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)co1	ZINC000760196886	668262267	/nfs/dbraw/zinc/26/22/67/668262267.db2.gz	DZUQVKSGARNIOR-SNVBAGLBSA-N	-1	0	308.290	0.541	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)Cc2ccccc2CC#N)cn1	ZINC000761101233	668305402	/nfs/dbraw/zinc/30/54/02/668305402.db2.gz	UYNVFCGCEAOMOB-UHFFFAOYSA-N	-1	0	318.358	0.534	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCO2	ZINC000763930200	668426519	/nfs/dbraw/zinc/42/65/19/668426519.db2.gz	LRAXXMHMPCLOKF-NSHDSACASA-N	-1	0	320.349	0.531	20	30		DCEDRM
CC1(C)CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H]1C#N	ZINC000765123133	668477184	/nfs/dbraw/zinc/47/71/84/668477184.db2.gz	VUMVAZGPYPTITP-LLVKDONJSA-N	-1	0	314.349	0.612	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000126510539	668616385	/nfs/dbraw/zinc/61/63/85/668616385.db2.gz	UEIPSOYXAUZPMY-UHFFFAOYSA-N	-1	0	318.282	0.995	20	30		DCEDRM
C=CCC[C@H](NC(=O)NCCOC1CCOCC1)C(=O)[O-]	ZINC000929016186	668644933	/nfs/dbraw/zinc/64/49/33/668644933.db2.gz	BBQBBQHIJJXUOE-LBPRGKRZSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)NCCO[C@H]1CCOC1)C(=O)[O-]	ZINC000929017353	668645112	/nfs/dbraw/zinc/64/51/12/668645112.db2.gz	QSOKWLPAXKFWBC-NWDGAFQWSA-N	-1	0	300.355	0.901	20	30		DCEDRM
COc1nc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc(=O)[n-]1	ZINC000770516057	668698625	/nfs/dbraw/zinc/69/86/25/668698625.db2.gz	GNNDTHSEYLSWQH-CQSZACIVSA-N	-1	0	322.321	0.402	20	30		DCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000770605125	668701996	/nfs/dbraw/zinc/70/19/96/668701996.db2.gz	YXRBBMPJZNVYQH-UHFFFAOYSA-N	-1	0	311.363	0.640	20	30		DCEDRM
COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771073682	668730142	/nfs/dbraw/zinc/73/01/42/668730142.db2.gz	LWWUVNWTAMOMTO-SECBINFHSA-N	-1	0	302.352	0.325	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CC[C@H]2CCOC2)CCC1	ZINC000771078893	668730254	/nfs/dbraw/zinc/73/02/54/668730254.db2.gz	QJBXABWQSPULCX-NSHDSACASA-N	-1	0	300.380	0.943	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000772716991	668782371	/nfs/dbraw/zinc/78/23/71/668782371.db2.gz	LRBXHGIMRKCGDB-UHFFFAOYSA-N	-1	0	314.275	0.569	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H](NC(N)=O)c1ccccc1	ZINC000772721871	668782635	/nfs/dbraw/zinc/78/26/35/668782635.db2.gz	ZRKOFSCJUJCJFM-LLVKDONJSA-N	-1	0	311.363	0.418	20	30		DCEDRM
NS(=O)(=O)c1ccccc1NN=Cc1ccc(C(=O)[O-])[nH]1	ZINC000773095564	668792986	/nfs/dbraw/zinc/79/29/86/668792986.db2.gz	UKABTLDZQXLXDB-UHFFFAOYSA-N	-1	0	308.319	0.806	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1OCC	ZINC000773616781	668809065	/nfs/dbraw/zinc/80/90/65/668809065.db2.gz	CUGIJCSOOLKBEW-UHFFFAOYSA-N	-1	0	321.333	0.980	20	30		DCEDRM
Cc1ccn(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c(=O)c1	ZINC000774210059	668826777	/nfs/dbraw/zinc/82/67/77/668826777.db2.gz	RGKIDTGZJKQYFH-UHFFFAOYSA-N	-1	0	323.374	0.297	20	30		DCEDRM
Cn1nccc1CCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000774303969	668830322	/nfs/dbraw/zinc/83/03/22/668830322.db2.gz	KENDXDLSNSJGSH-UHFFFAOYSA-N	-1	0	324.406	0.883	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cc(OC)cc(OC)c1	ZINC000774419221	668833099	/nfs/dbraw/zinc/83/30/99/668833099.db2.gz	VIGSQKNQQBQUJP-UHFFFAOYSA-N	-1	0	315.347	0.711	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000775247014	668859687	/nfs/dbraw/zinc/85/96/87/668859687.db2.gz	ZBLFFXAUOYLKGA-SNVBAGLBSA-N	-1	0	312.347	0.495	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cccc2[nH]c(=O)oc21	ZINC000776122198	668871151	/nfs/dbraw/zinc/87/11/51/668871151.db2.gz	NRCFFLGJUYQRGZ-UHFFFAOYSA-N	-1	0	309.303	0.897	20	30		DCEDRM
CC(C)(C)N1C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)CC1=O	ZINC000776122170	668871257	/nfs/dbraw/zinc/87/12/57/668871257.db2.gz	LZYMLPQZXUTXAL-JTQLQIEISA-N	-1	0	315.395	0.383	20	30		DCEDRM
C[C@@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122942	668871506	/nfs/dbraw/zinc/87/15/06/668871506.db2.gz	UYKVTPDZKMANBB-SECBINFHSA-N	-1	0	313.335	0.148	20	30		DCEDRM
C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776136922	668871725	/nfs/dbraw/zinc/87/17/25/668871725.db2.gz	PLWYEYISPVPIFN-GHMZBOCLSA-N	-1	0	318.395	0.566	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnc(OCC)cn1	ZINC000778606465	668901732	/nfs/dbraw/zinc/90/17/32/668901732.db2.gz	WZXPPLFCPUWMJU-LLVKDONJSA-N	-1	0	320.349	0.741	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000778653866	668902402	/nfs/dbraw/zinc/90/24/02/668902402.db2.gz	CBKZSNFPELUPIT-UHFFFAOYSA-N	-1	0	313.310	0.004	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c1C#N	ZINC000779079438	668907427	/nfs/dbraw/zinc/90/74/27/668907427.db2.gz	YLSSSRBMTQSSCP-UHFFFAOYSA-N	-1	0	300.731	0.778	20	30		DCEDRM
CCn1cc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cn1	ZINC000781564275	669049775	/nfs/dbraw/zinc/04/97/75/669049775.db2.gz	JRCDNCJKFIJFPT-UHFFFAOYSA-N	-1	0	310.379	0.585	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)COCC1CC1)cc2=O	ZINC000782898885	669130473	/nfs/dbraw/zinc/13/04/73/669130473.db2.gz	PCWIMNKIZQUGHW-UHFFFAOYSA-N	-1	0	302.290	0.776	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1n[n-]c2ccccc2c1=O	ZINC000783618098	669164476	/nfs/dbraw/zinc/16/44/76/669164476.db2.gz	LYTRSMNVPMDXIT-UHFFFAOYSA-N	-1	0	321.358	0.666	20	30		DCEDRM
CN1CCCC[C@@H]1C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783775060	669172777	/nfs/dbraw/zinc/17/27/77/669172777.db2.gz	AOUCSHUMNOIHSC-GFCCVEGCSA-N	-1	0	315.333	0.834	20	30		DCEDRM
COCCO[N-]C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000789823870	669512293	/nfs/dbraw/zinc/51/22/93/669512293.db2.gz	DCQXKKYHYSRKAH-UHFFFAOYSA-N	-1	0	309.326	0.142	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2	ZINC000791111504	669594581	/nfs/dbraw/zinc/59/45/81/669594581.db2.gz	TXHVHTVOCMGBAF-UHFFFAOYSA-N	-1	0	308.315	0.100	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn(C)c1SC	ZINC000791768793	669629084	/nfs/dbraw/zinc/62/90/84/669629084.db2.gz	IUEVTROQEOMPKE-SECBINFHSA-N	-1	0	310.379	0.617	20	30		DCEDRM
COc1cncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)n1	ZINC000791871429	669636365	/nfs/dbraw/zinc/63/63/65/669636365.db2.gz	UEADFLZBFLPTBX-UHFFFAOYSA-N	-1	0	324.362	0.629	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)CC(C)(C)C	ZINC000810785694	669688538	/nfs/dbraw/zinc/68/85/38/669688538.db2.gz	NWCWRVRJGDUGJM-SNVBAGLBSA-N	-1	0	302.396	0.397	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CC2OCCCO2)CCCC1	ZINC000793188596	669706167	/nfs/dbraw/zinc/70/61/67/669706167.db2.gz	BNMWNSYNAQCFOP-UHFFFAOYSA-N	-1	0	316.379	0.669	20	30		DCEDRM
C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000046930536	669924130	/nfs/dbraw/zinc/92/41/30/669924130.db2.gz	FYLOSIHEQNVKTK-LDYMZIIASA-N	-1	0	307.335	0.964	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N)C1CC1	ZINC000796608377	669936997	/nfs/dbraw/zinc/93/69/97/669936997.db2.gz	JNQSNUICUIWKLL-ZDUSSCGKSA-N	-1	0	308.359	0.929	20	30		DCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000796697983	669939496	/nfs/dbraw/zinc/93/94/96/669939496.db2.gz	REEUMHJPXSPZSP-UHFFFAOYSA-N	-1	0	308.319	0.620	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1nnn(C(C)C)c1C	ZINC000796742635	669941505	/nfs/dbraw/zinc/94/15/05/669941505.db2.gz	UXKXNZAJYNLLAL-LLVKDONJSA-N	-1	0	307.354	0.643	20	30		DCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000797293842	669964091	/nfs/dbraw/zinc/96/40/91/669964091.db2.gz	OYAMUYXBPDCZGA-LURJTMIESA-N	-1	0	302.333	0.241	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)C(=O)Cc1cccc(OCC#N)c1	ZINC000808099476	670389954	/nfs/dbraw/zinc/38/99/54/670389954.db2.gz	QQOMWGBMWJTBLP-UHFFFAOYSA-N	-1	0	302.290	0.879	20	30		DCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000809036195	670438680	/nfs/dbraw/zinc/43/86/80/670438680.db2.gz	RUVMTRNUBNIYFH-UHFFFAOYSA-N	-1	0	310.360	0.780	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1nnc2ccccc2n1	ZINC000810527159	670488223	/nfs/dbraw/zinc/48/82/23/670488223.db2.gz	IXQBIEDCDRVOGZ-SNVBAGLBSA-N	-1	0	313.317	0.500	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1	ZINC000810773991	670496943	/nfs/dbraw/zinc/49/69/43/670496943.db2.gz	KBBSXMUXZGSUOU-UHFFFAOYSA-N	-1	0	318.358	0.279	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnc(O[C@@H]2CCOC2)c1	ZINC000810775397	670497195	/nfs/dbraw/zinc/49/71/95/670497195.db2.gz	DOIRTJDPJMXLAS-GFCCVEGCSA-N	-1	0	324.358	0.332	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)C	ZINC000810779326	670497473	/nfs/dbraw/zinc/49/74/73/670497473.db2.gz	IFVVBQGANOOGFQ-NSHDSACASA-N	-1	0	300.380	0.103	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCc1nc(CCC)no1	ZINC000810778439	670497587	/nfs/dbraw/zinc/49/75/87/670497587.db2.gz	YGTMUVMRAJUBQK-UHFFFAOYSA-N	-1	0	313.379	0.814	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1csc(-c2cnn(C)c2)n1	ZINC000810781193	670497684	/nfs/dbraw/zinc/49/76/84/670497684.db2.gz	JCBFWDGAWRQVOR-UHFFFAOYSA-N	-1	0	324.387	0.627	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COCc1ccc(OC)cc1	ZINC000810782327	670497774	/nfs/dbraw/zinc/49/77/74/670497774.db2.gz	MSENYRLHXKARIH-UHFFFAOYSA-N	-1	0	311.359	0.681	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnn1-c1ccccc1	ZINC000810785445	670497955	/nfs/dbraw/zinc/49/79/55/670497955.db2.gz	HUUFMOWLGVXXBQ-UHFFFAOYSA-N	-1	0	303.343	0.955	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(NC(C)=O)c(F)c1	ZINC000810785111	670498012	/nfs/dbraw/zinc/49/80/12/670498012.db2.gz	XEQCLQGTMURFJV-UHFFFAOYSA-N	-1	0	312.322	0.867	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC	ZINC000811143185	670509504	/nfs/dbraw/zinc/50/95/04/670509504.db2.gz	HPCABQINURFJHG-SNVBAGLBSA-N	-1	0	321.395	0.613	20	30		DCEDRM
N#Cc1ccc(N2CCC[C@H]2C(=O)Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000854610415	670597067	/nfs/dbraw/zinc/59/70/67/670597067.db2.gz	HKIZFHQTECVRTE-NSHDSACASA-N	-1	0	314.305	0.300	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1CC(F)(F)F	ZINC000813079236	670609887	/nfs/dbraw/zinc/60/98/87/670609887.db2.gz	GDMQDWFLBGYZKF-QMMMGPOBSA-N	-1	0	300.302	0.645	20	30		DCEDRM
CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CCCC#N)cc1	ZINC000813095088	670610628	/nfs/dbraw/zinc/61/06/28/670610628.db2.gz	JJFZHJOECHPOKE-UHFFFAOYSA-N	-1	0	323.374	0.686	20	30		DCEDRM
CCc1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)[nH]n1	ZINC000813980614	670667703	/nfs/dbraw/zinc/66/77/03/670667703.db2.gz	DVOSBKWVLHXBCW-UHFFFAOYSA-N	-1	0	305.319	0.357	20	30		DCEDRM
CC(C)(C)C(=O)Nc1ccncc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814233981	670682804	/nfs/dbraw/zinc/68/28/04/670682804.db2.gz	NPXKKZGPHBCMQF-UHFFFAOYSA-N	-1	0	304.310	0.373	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000848607991	670704371	/nfs/dbraw/zinc/70/43/71/670704371.db2.gz	NNIPHTALNNTGKN-DGCLKSJQSA-N	-1	0	302.330	0.704	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)CC1(C(=O)[O-])CCC1	ZINC000814844143	670704721	/nfs/dbraw/zinc/70/47/21/670704721.db2.gz	CAZNHGBMPAYDGR-UHFFFAOYSA-N	-1	0	300.384	0.217	20	30		DCEDRM
NC(=O)CNC(=S)NN=C1CCc2cccc(C(=O)[O-])c2C1	ZINC000814845439	670705448	/nfs/dbraw/zinc/70/54/48/670705448.db2.gz	XOTWRZBLOPNXTA-UHFFFAOYSA-N	-1	0	320.374	0.179	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)c1csc(C(=O)[O-])c1	ZINC000814845345	670705499	/nfs/dbraw/zinc/70/54/99/670705499.db2.gz	WGOWNICATNVXRM-UHFFFAOYSA-N	-1	0	314.392	0.380	20	30		DCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O	ZINC000855602615	670734931	/nfs/dbraw/zinc/73/49/31/670734931.db2.gz	DIEIERNSQZQCEY-HNNXBMFYSA-N	-1	0	301.302	0.135	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C	ZINC000855603553	670735047	/nfs/dbraw/zinc/73/50/47/670735047.db2.gz	SAMNFDSRFMYDMP-CYBMUJFWSA-N	-1	0	303.297	0.585	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cnc2onc(CC)c2c1	ZINC000849219109	670765901	/nfs/dbraw/zinc/76/59/01/670765901.db2.gz	HTCMIAYJLCLLIX-UHFFFAOYSA-N	-1	0	323.330	0.494	20	30		DCEDRM
CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCCOC)nc1	ZINC000815906855	670771217	/nfs/dbraw/zinc/77/12/17/670771217.db2.gz	KZSNSQBETDXNJM-NSHDSACASA-N	-1	0	319.317	0.343	20	30		DCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)[N-]OCCN1CCCC1=O	ZINC000856037763	670778899	/nfs/dbraw/zinc/77/88/99/670778899.db2.gz	OOPHXFSPBKHPQC-LBPRGKRZSA-N	-1	0	317.345	0.996	20	30		DCEDRM
Cn1cc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c(Cl)n1	ZINC000816014820	670779646	/nfs/dbraw/zinc/77/96/46/670779646.db2.gz	OOVYEMHCMYUOTI-UHFFFAOYSA-N	-1	0	316.770	0.366	20	30		DCEDRM
COCCCCS(=O)(=O)[N-]C(=O)c1ncc(C#N)cc1C	ZINC000816023124	670780298	/nfs/dbraw/zinc/78/02/98/670780298.db2.gz	RDDICAFQPYGAQW-UHFFFAOYSA-N	-1	0	311.363	0.748	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000816668916	670832762	/nfs/dbraw/zinc/83/27/62/670832762.db2.gz	BEIZPFISIXPLTG-SNVBAGLBSA-N	-1	0	303.293	0.831	20	30		DCEDRM
C[C@H]1C(=O)N(N=Cc2cccc(OCC(=O)[O-])c2)C(=O)N1C	ZINC000857216704	670896817	/nfs/dbraw/zinc/89/68/17/670896817.db2.gz	AKZNSXQBCKIWQY-VIFPVBQESA-N	-1	0	305.290	0.766	20	30		DCEDRM
COC(=O)N1CCC(C(=O)C(C#N)=C([O-])c2nccn2C)CC1	ZINC000850898522	670953386	/nfs/dbraw/zinc/95/33/86/670953386.db2.gz	IIXOOTIOCRGXDO-LLVKDONJSA-N	-1	0	318.333	0.790	20	30		DCEDRM
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N	ZINC000850908411	670953763	/nfs/dbraw/zinc/95/37/63/670953763.db2.gz	NGNWECINZPMFKO-VIFPVBQESA-N	-1	0	312.395	0.900	20	30		DCEDRM
CO[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)C1	ZINC000850960307	670958091	/nfs/dbraw/zinc/95/80/91/670958091.db2.gz	DGJDMZBKDASOOB-GHMZBOCLSA-N	-1	0	300.380	0.941	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N	ZINC000851044548	670964361	/nfs/dbraw/zinc/96/43/61/670964361.db2.gz	BVDQNZUBFHHQQP-MRVPVSSYSA-N	-1	0	322.302	0.821	20	30		DCEDRM
Cc1ccncc1S(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000851088685	670967337	/nfs/dbraw/zinc/96/73/37/670967337.db2.gz	MENLWBRHVLMOKT-UHFFFAOYSA-N	-1	0	323.374	0.905	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)[N-]S(=O)(=O)CC(F)F)c1	ZINC000851363094	670981819	/nfs/dbraw/zinc/98/18/19/670981819.db2.gz	BQFHJHCRLXTDJH-UHFFFAOYSA-N	-1	0	317.317	0.949	20	30		DCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cc(N2CCOC2=O)ccc1F	ZINC000820148426	671172184	/nfs/dbraw/zinc/17/21/84/671172184.db2.gz	FPSBCBLZSSLURO-LLVKDONJSA-N	-1	0	323.280	0.502	20	30		DCEDRM
COC(=O)c1ccccc1CCC(=O)N[C@@H]1CCN(O)C1=O	ZINC000820148605	671172304	/nfs/dbraw/zinc/17/23/04/671172304.db2.gz	IQCNGKNWJQHWSK-GFCCVEGCSA-N	-1	0	306.318	0.512	20	30		DCEDRM
O=C(Cc1ccn(-c2ccc(F)cc2)n1)N[C@@H]1CCN(O)C1=O	ZINC000820149172	671172324	/nfs/dbraw/zinc/17/23/24/671172324.db2.gz	MPBOWARPYYQVGM-CYBMUJFWSA-N	-1	0	318.308	0.660	20	30		DCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CCOCC1	ZINC000820563232	671210786	/nfs/dbraw/zinc/21/07/86/671210786.db2.gz	CDUXKYGKOIAGFQ-GFCCVEGCSA-N	-1	0	317.407	0.984	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1(c2cc(C)no2)CCOCC1	ZINC000860631479	671225719	/nfs/dbraw/zinc/22/57/19/671225719.db2.gz	WAKFMAPBLSCMNN-UHFFFAOYSA-N	-1	0	314.363	0.663	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(C(N)=O)nc2)CC1	ZINC000860772370	671237104	/nfs/dbraw/zinc/23/71/04/671237104.db2.gz	XRKNANUOMMTPTH-UHFFFAOYSA-N	-1	0	323.374	0.278	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cn(Cc2ccccc2)nn1	ZINC000821584188	671284729	/nfs/dbraw/zinc/28/47/29/671284729.db2.gz	UFZWZFNNUAGXPU-UHFFFAOYSA-N	-1	0	319.346	0.300	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F	ZINC000824232956	671424177	/nfs/dbraw/zinc/42/41/77/671424177.db2.gz	NXKQZOILJLCASF-JGVFFNPUSA-N	-1	0	301.286	0.833	20	30		DCEDRM
C#CCCN(CCOC)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000826655930	671495790	/nfs/dbraw/zinc/49/57/90/671495790.db2.gz	UOOPBUSDBUWUPZ-UHFFFAOYSA-N	-1	0	307.394	0.873	20	30		DCEDRM
C=CCNC(=O)CNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC000833377049	671747580	/nfs/dbraw/zinc/74/75/80/671747580.db2.gz	LDONTYRAVGEESN-UHFFFAOYSA-N	-1	0	321.333	0.185	20	30		DCEDRM
C#CCOCC[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1	ZINC000867094570	671747668	/nfs/dbraw/zinc/74/76/68/671747668.db2.gz	PLUXVHDFMBRMKW-IBGZPJMESA-N	-1	0	316.404	0.628	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F	ZINC000835242539	671791480	/nfs/dbraw/zinc/79/14/80/671791480.db2.gz	QNTJLEXHPNZPGV-VIFPVBQESA-N	-1	0	317.313	0.949	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCCC(F)(F)F	ZINC000835263719	671792072	/nfs/dbraw/zinc/79/20/72/671792072.db2.gz	XKGVVZRNUUDTOI-QMMMGPOBSA-N	-1	0	301.286	0.813	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1COc2ccccc2O1	ZINC000835371044	671794786	/nfs/dbraw/zinc/79/47/86/671794786.db2.gz	DXZANUSIGVMVSG-LLVKDONJSA-N	-1	0	309.343	0.686	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(C(=O)OC)cc1	ZINC000835371659	671794804	/nfs/dbraw/zinc/79/48/04/671794804.db2.gz	JYVVNPUBVWPKMX-UHFFFAOYSA-N	-1	0	309.343	0.485	20	30		DCEDRM
COc1ccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000835413053	671795871	/nfs/dbraw/zinc/79/58/71/671795871.db2.gz	YSZFYSXEBBXPPY-JTQLQIEISA-N	-1	0	312.347	0.822	20	30		DCEDRM
C#C[C@H]([N-]S(=O)(=O)N=S(=O)(CC)CC)[C@H]1CCCO1	ZINC000867125957	671797874	/nfs/dbraw/zinc/79/78/74/671797874.db2.gz	RBIADDWULIRHPK-WDEREUQCSA-N	-1	0	308.425	0.509	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc(OC)ccn1	ZINC000842681328	672027987	/nfs/dbraw/zinc/02/79/87/672027987.db2.gz	LNYOINMAVZYREF-LBPRGKRZSA-N	-1	0	305.334	0.955	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc2cc[nH]c(=O)c2s1	ZINC000842683746	672028700	/nfs/dbraw/zinc/02/87/00/672028700.db2.gz	BQHUWGPOWCNHRZ-SECBINFHSA-N	-1	0	319.342	0.675	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C1	ZINC000842765506	672035239	/nfs/dbraw/zinc/03/52/39/672035239.db2.gz	XERPWHRUQKFSDU-SNVBAGLBSA-N	-1	0	322.342	0.741	20	30		DCEDRM
COCCN(CCC(=O)[O-])S(=O)(=O)c1ccsc1C#N	ZINC000844793692	672203275	/nfs/dbraw/zinc/20/32/75/672203275.db2.gz	QUNQBTKLLUGFNM-UHFFFAOYSA-N	-1	0	318.376	0.732	20	30		DCEDRM
COC1(C(=O)[O-])CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1	ZINC000844799351	672203528	/nfs/dbraw/zinc/20/35/28/672203528.db2.gz	BNKWCWXXGSQZLE-JTQLQIEISA-N	-1	0	319.383	0.031	20	30		DCEDRM
C[C@@H]1CCCN1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844817814	672204688	/nfs/dbraw/zinc/20/46/88/672204688.db2.gz	QFFOCIWVUCBWPZ-LLVKDONJSA-N	-1	0	300.380	0.516	20	30		DCEDRM
Cc1ccncc1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844813710	672204736	/nfs/dbraw/zinc/20/47/36/672204736.db2.gz	GPFMERMLCKCVII-UHFFFAOYSA-N	-1	0	308.359	0.879	20	30		DCEDRM
Cc1nnnn1-c1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1	ZINC000845442112	672248431	/nfs/dbraw/zinc/24/84/31/672248431.db2.gz	CTNWWNBIUMMBCC-CYBMUJFWSA-N	-1	0	312.333	0.818	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000846003237	672288293	/nfs/dbraw/zinc/28/82/93/672288293.db2.gz	UBOPHRQMMHLOGY-UHFFFAOYSA-N	-1	0	317.754	0.558	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1c(C(=O)OCC)cnn1C	ZINC000846145463	672297321	/nfs/dbraw/zinc/29/73/21/672297321.db2.gz	FKCZXQQIIPYJGI-UHFFFAOYSA-N	-1	0	310.310	0.159	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1	ZINC000846535166	672325869	/nfs/dbraw/zinc/32/58/69/672325869.db2.gz	RMSSBQZVIGXHEJ-UHFFFAOYSA-N	-1	0	310.310	0.317	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@@H](CCSC)NS(=O)(=O)CC	ZINC000846539264	672326448	/nfs/dbraw/zinc/32/64/48/672326448.db2.gz	SHJIWQNPGUJWBM-SNVBAGLBSA-N	-1	0	310.441	0.671	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1	ZINC000846543177	672326510	/nfs/dbraw/zinc/32/65/10/672326510.db2.gz	GPZVGTIXKOCSEL-GWCFXTLKSA-N	-1	0	302.334	0.729	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1	ZINC000846546070	672326701	/nfs/dbraw/zinc/32/67/01/672326701.db2.gz	LBYMNAUPJZZOCO-CMPLNLGQSA-N	-1	0	320.349	0.799	20	30		DCEDRM
CC[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCO1	ZINC000813984487	685351848	/nfs/dbraw/zinc/35/18/48/685351848.db2.gz	SRVZLUFQTRVLNJ-NWDGAFQWSA-N	-1	0	323.374	0.963	20	30		DCEDRM
O=C([N-]S(=O)(=O)N1CCCC1)c1ccc(-n2ccnn2)cc1	ZINC000089967568	685101871	/nfs/dbraw/zinc/10/18/71/685101871.db2.gz	KKQCNKOHDBISIC-UHFFFAOYSA-N	-1	0	321.362	0.913	20	30		DCEDRM
C=CCn1cccc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001038348944	694052957	/nfs/dbraw/zinc/05/29/57/694052957.db2.gz	DPFVSYBMFWERDQ-NSHDSACASA-N	-1	0	316.365	0.502	20	30		DCEDRM
CC#CCN1CC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001038924256	694241873	/nfs/dbraw/zinc/24/18/73/694241873.db2.gz	YTLQKTHZLUJLLG-JTQLQIEISA-N	-1	0	300.318	0.756	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001040127405	694494583	/nfs/dbraw/zinc/49/45/83/694494583.db2.gz	SEGDJQVTDOIWRX-IAQYHMDHSA-N	-1	0	318.381	0.484	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC3(C2)CCN(C(=O)[C@H](C)C#N)C3)c1[O-]	ZINC001018944796	693291162	/nfs/dbraw/zinc/29/11/62/693291162.db2.gz	BVYGPFJABNLDHU-SECBINFHSA-N	-1	0	317.349	0.258	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)NCCSCC(=O)[O-])cc1	ZINC000389441498	1157496774	/nfs/dbraw/zinc/49/67/74/1157496774.db2.gz	ITIJHTOGBULHLH-UHFFFAOYSA-N	-1	0	314.388	0.849	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C)C(=O)C#CC(C)(C)C)c1[O-]	ZINC001745089431	1157753274	/nfs/dbraw/zinc/75/32/74/1157753274.db2.gz	QFWVESVUUYOVGU-UHFFFAOYSA-N	-1	0	306.366	0.661	20	30		DCEDRM
CON=CC(=O)N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1	ZINC001447446855	1159643893	/nfs/dbraw/zinc/64/38/93/1159643893.db2.gz	JDTLNZMRFKMNTJ-JTQLQIEISA-N	-1	0	312.692	0.830	20	30		DCEDRM
C=CCCC(=O)N(C)C[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O	ZINC001572241251	1163074482	/nfs/dbraw/zinc/07/44/82/1163074482.db2.gz	IWLIWCDFNYYZQB-JTQLQIEISA-N	-1	0	322.365	0.029	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)c1ccc2[nH]c(=O)[nH]c2n1)C(=O)[O-]	ZINC001573308263	1163411635	/nfs/dbraw/zinc/41/16/35/1163411635.db2.gz	QVOIUPYOGGLCLE-QMMMGPOBSA-N	-1	0	310.697	0.989	20	30		DCEDRM
CCC[N@H+](Cc1cc(=O)n2[n-]cc(C#N)c2n1)[C@H](C)C(=O)[O-]	ZINC001573756801	1163545385	/nfs/dbraw/zinc/54/53/85/1163545385.db2.gz	FNMBYYLSDIMQRR-SECBINFHSA-N	-1	0	303.322	0.992	20	30		DCEDRM
CCOC(=O)[C@@H](CC(=O)[O-])S[C@@H](C)C(=O)N(C)CCC#N	ZINC001573780976	1163551546	/nfs/dbraw/zinc/55/15/46/1163551546.db2.gz	BKJIRFLPWRLAQQ-VHSXEESVSA-N	-1	0	316.379	0.887	20	30		DCEDRM
CN(C(=O)Nc1ccc(NC(=O)[O-])c(C#N)c1)[C@@H]1COC[C@H]1O	ZINC001573852217	1163568829	/nfs/dbraw/zinc/56/88/29/1163568829.db2.gz	JSOBVUDAKLWXSY-VXGBXAGGSA-N	-1	0	320.305	0.872	20	30		DCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1	ZINC001574112081	1163638492	/nfs/dbraw/zinc/63/84/92/1163638492.db2.gz	HSDAHQGNILREAS-STQMWFEESA-N	-1	0	314.301	0.506	20	30		DCEDRM
Cc1c(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])cnn1CCC#N	ZINC001574114632	1163639501	/nfs/dbraw/zinc/63/95/01/1163639501.db2.gz	XASKBWQARYDFMD-AAEUAGOBSA-N	-1	0	320.349	0.857	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO	ZINC001574128480	1163645064	/nfs/dbraw/zinc/64/50/64/1163645064.db2.gz	WBTCCDSPHRKUSQ-AAEUAGOBSA-N	-1	0	303.318	0.567	20	30		DCEDRM
Cc1nc(C#N)cc(N2CCC(c3nc(C(=O)[O-])n[nH]3)CC2)n1	ZINC001574182088	1163654288	/nfs/dbraw/zinc/65/42/88/1163654288.db2.gz	ILFUFPQHTHRNMT-UHFFFAOYSA-N	-1	0	313.321	0.857	20	30		DCEDRM
N#Cc1ncccc1S(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	ZINC001574248996	1163675053	/nfs/dbraw/zinc/67/50/53/1163675053.db2.gz	OZMKVBYEGLNWEQ-VDDIYKPWSA-N	-1	0	307.331	0.294	20	30		DCEDRM
CC[C@H](C#N)C(=O)Nc1ccccc1-n1cnc(-c2nnn[n-]2)n1	ZINC001576484491	1164363982	/nfs/dbraw/zinc/36/39/82/1164363982.db2.gz	IQULFIOTXHUCTJ-SECBINFHSA-N	-1	0	323.320	0.936	20	30		DCEDRM
C=CCOCC(=O)NCCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001576853805	1164496935	/nfs/dbraw/zinc/49/69/35/1164496935.db2.gz	NXZUCFAPBUWSGS-UHFFFAOYSA-N	-1	0	310.354	0.205	20	30		DCEDRM
CCOC(=O)C[C@@H](C)Sc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001578245073	1164963339	/nfs/dbraw/zinc/96/33/39/1164963339.db2.gz	BEEYYDLXQSANSB-SSDOTTSWSA-N	-1	0	319.350	0.962	20	30		DCEDRM
COCCC1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCC1	ZINC001579786345	1165395877	/nfs/dbraw/zinc/39/58/77/1165395877.db2.gz	UWPSWOFCRNGFBK-UHFFFAOYSA-N	-1	0	316.325	0.607	20	30		DCEDRM
COc1ccc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)cc1O	ZINC001580030436	1165477743	/nfs/dbraw/zinc/47/77/43/1165477743.db2.gz	ITHIDVZTTXTCET-UHFFFAOYSA-N	-1	0	324.304	0.855	20	30		DCEDRM
N#C[C@H]1CNC[C@@H]1[N-]S(=O)(=O)c1occc1Br	ZINC001580044900	1165484671	/nfs/dbraw/zinc/48/46/71/1165484671.db2.gz	LVJCPJZEUGODKW-XPUUQOCRSA-N	-1	0	320.168	0.432	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCC(C#N)CC1	ZINC001580597596	1165650185	/nfs/dbraw/zinc/65/01/85/1165650185.db2.gz	KEWJDSLYLAWGDA-UHFFFAOYSA-N	-1	0	313.321	0.652	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCC(C)(C)CC#N	ZINC001580604306	1165653249	/nfs/dbraw/zinc/65/32/49/1165653249.db2.gz	QDJZUOLDMBHGDZ-UHFFFAOYSA-N	-1	0	315.337	0.945	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1cc(CO)ccc1F	ZINC001581410721	1165823792	/nfs/dbraw/zinc/82/37/92/1165823792.db2.gz	TYYWMBGXYIOTSB-UHFFFAOYSA-N	-1	0	313.296	0.923	20	30		DCEDRM
N#Cc1ncc(N2CCC[C@@H](c3ncc[nH]3)C2)nc1-c1nnn[n-]1	ZINC001581882377	1165901637	/nfs/dbraw/zinc/90/16/37/1165901637.db2.gz	WDORQUROROQYJB-SECBINFHSA-N	-1	0	322.336	0.635	20	30		DCEDRM
N#Cc1ncc(NCC[C@H](O)C(F)(F)F)nc1-c1nnn[n-]1	ZINC001581883993	1165903662	/nfs/dbraw/zinc/90/36/62/1165903662.db2.gz	GEQCRPURPFLFEU-LURJTMIESA-N	-1	0	314.231	0.254	20	30		DCEDRM
C[NH+]1CCC(C#N)(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1	ZINC001584987113	1166390986	/nfs/dbraw/zinc/39/09/86/1166390986.db2.gz	XTHNYVJFBKOHNQ-UHFFFAOYSA-N	-1	0	305.294	0.413	20	30		DCEDRM
C#CCCCCCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001585296628	1166415322	/nfs/dbraw/zinc/41/53/22/1166415322.db2.gz	WFYIOOUTDAMHIZ-UHFFFAOYSA-N	-1	0	302.334	0.520	20	30		DCEDRM
C#C[C@H](CCC)NS(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001588327606	1166524154	/nfs/dbraw/zinc/52/41/54/1166524154.db2.gz	NBEWLFJYEGUAPU-SECBINFHSA-N	-1	0	306.351	0.342	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1	ZINC001588335277	1166531910	/nfs/dbraw/zinc/53/19/10/1166531910.db2.gz	GMGWIZZBTSNDHJ-WDEREUQCSA-N	-1	0	314.353	0.281	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12)C(=O)[O-]	ZINC001588414732	1166551035	/nfs/dbraw/zinc/55/10/35/1166551035.db2.gz	YJQBRXRATNPGNF-NSHDSACASA-N	-1	0	324.296	0.382	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(CN2CCOCC2)cn1)C(=O)[O-]	ZINC001588415006	1166551386	/nfs/dbraw/zinc/55/13/86/1166551386.db2.gz	ZXXYJIMNOYITJN-CQSZACIVSA-N	-1	0	317.345	0.120	20	30		DCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001588404189	1166552026	/nfs/dbraw/zinc/55/20/26/1166552026.db2.gz	FGVBJVJIDHFZHY-JTQLQIEISA-N	-1	0	303.322	0.629	20	30		DCEDRM
C=C(C)CN(CC)C(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001588426537	1166554113	/nfs/dbraw/zinc/55/41/13/1166554113.db2.gz	YJRVNFUDZPQIHF-UHFFFAOYSA-N	-1	0	305.346	0.066	20	30		DCEDRM
C#CCN1CCC[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1	ZINC001588477219	1166558198	/nfs/dbraw/zinc/55/81/98/1166558198.db2.gz	WRFUDQUTLZUFAI-SNVBAGLBSA-N	-1	0	311.363	0.089	20	30		DCEDRM
C#CCO[C@H](C)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC001588489636	1166558393	/nfs/dbraw/zinc/55/83/93/1166558393.db2.gz	AIWZTGFEPKSZKY-LLVKDONJSA-N	-1	0	318.329	0.868	20	30		DCEDRM
C=CCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1	ZINC001588571830	1166564385	/nfs/dbraw/zinc/56/43/85/1166564385.db2.gz	PUSLDGDRSNCLFX-SNVBAGLBSA-N	-1	0	314.353	0.058	20	30		DCEDRM
C=CCC[C@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001588580004	1166565727	/nfs/dbraw/zinc/56/57/27/1166565727.db2.gz	XCVRIZIJDMLSTD-MRVPVSSYSA-N	-1	0	313.339	0.065	20	30		DCEDRM
C=CCCCC(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1	ZINC001588590380	1166565822	/nfs/dbraw/zinc/56/58/22/1166565822.db2.gz	KMMSDXSBYYLZRJ-UHFFFAOYSA-N	-1	0	316.369	0.565	20	30		DCEDRM
C=C[C@H](CO)N[C@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1	ZINC001588728174	1166581679	/nfs/dbraw/zinc/58/16/79/1166581679.db2.gz	NUYKZTGCIBCZDF-NEPJUHHUSA-N	-1	0	303.322	0.217	20	30		DCEDRM
C=C[C@H](CO)NC(=O)Nc1cc(OC)c(-c2nn[nH]n2)cc1F	ZINC001588728446	1166582173	/nfs/dbraw/zinc/58/21/73/1166582173.db2.gz	QOJQBBBBYNMFHZ-SSDOTTSWSA-N	-1	0	322.300	0.683	20	30		DCEDRM
C=CCn1cc(C(=O)Nc2snc(C)c2-c2nn[nH]n2)nn1	ZINC001588713794	1166582456	/nfs/dbraw/zinc/58/24/56/1166582456.db2.gz	UFYROBOQFXGLIC-UHFFFAOYSA-N	-1	0	317.338	0.661	20	30		DCEDRM
C[C@H](C(=O)N1CCC(C)(C#N)CC1)n1cnc(-c2nnn[n-]2)n1	ZINC001588949213	1166620812	/nfs/dbraw/zinc/62/08/12/1166620812.db2.gz	UDYVJUWDRVNLPB-SECBINFHSA-N	-1	0	315.341	0.171	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588965786	1166625209	/nfs/dbraw/zinc/62/52/09/1166625209.db2.gz	LDRSHCULEYRSCR-QPUJVOFHSA-N	-1	0	303.330	0.074	20	30		DCEDRM
C[C@@H](NCC#N)[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001589959441	1166731130	/nfs/dbraw/zinc/73/11/30/1166731130.db2.gz	ZCPSOSPUBAYSHF-NXEZZACHSA-N	-1	0	314.353	0.159	20	30		DCEDRM
C[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1csnn1	ZINC001589988190	1166737035	/nfs/dbraw/zinc/73/70/35/1166737035.db2.gz	WTKGFRSZKPHLQU-RXMQYKEDSA-N	-1	0	300.311	0.553	20	30		DCEDRM
CC[C@@]1(C)CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCO1	ZINC001590490238	1166921438	/nfs/dbraw/zinc/92/14/38/1166921438.db2.gz	KFBNJZACUCZUFF-ZDUSSCGKSA-N	-1	0	300.326	0.534	20	30		DCEDRM
CCOC(=O)C[C@@H](C)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590761260	1167011948	/nfs/dbraw/zinc/01/19/48/1167011948.db2.gz	VBXOFCDZMWLCAN-SSDOTTSWSA-N	-1	0	302.298	0.282	20	30		DCEDRM
CCS(=O)(=O)CCCCCn1cnc(-c2nnn[n-]2)c1C#N	ZINC001590846260	1167035437	/nfs/dbraw/zinc/03/54/37/1167035437.db2.gz	HONLUVASLHTIRB-UHFFFAOYSA-N	-1	0	323.382	0.540	20	30		DCEDRM
COC(=O)[C@H]1CCCC[C@H]1Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC001591254477	1167179003	/nfs/dbraw/zinc/17/90/03/1167179003.db2.gz	IWNIJXUDYBGNKW-UWVGGRQHSA-N	-1	0	315.337	0.914	20	30		DCEDRM
COC1CCC(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CC1	ZINC001591348513	1167227205	/nfs/dbraw/zinc/22/72/05/1167227205.db2.gz	USHCSECRVHKFTB-UHFFFAOYSA-N	-1	0	316.325	0.605	20	30		DCEDRM
Cc1[nH]nc(NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)c1C#N	ZINC001592332998	1167490853	/nfs/dbraw/zinc/49/08/53/1167490853.db2.gz	WXSSEQRFCBZDEZ-UHFFFAOYSA-N	-1	0	310.277	0.728	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)o1	ZINC001592582335	1167571062	/nfs/dbraw/zinc/57/10/62/1167571062.db2.gz	JCHTVJOODVKIHU-SSDOTTSWSA-N	-1	0	311.261	0.399	20	30		DCEDRM
N#Cc1nc(NC(=O)C#Cc2cccs2)[n-]c1-c1nn[nH]n1	ZINC001592681098	1167598344	/nfs/dbraw/zinc/59/83/44/1167598344.db2.gz	HHTKSQZMGNWWGR-UHFFFAOYSA-N	-1	0	310.302	0.513	20	30		DCEDRM
N#Cc1ccc(OCCCn2cnc(-c3nnn[n-]3)cc2=O)cc1	ZINC001592695914	1167601352	/nfs/dbraw/zinc/60/13/52/1167601352.db2.gz	SACUNWAHSFNIJL-UHFFFAOYSA-N	-1	0	323.316	0.764	20	30		DCEDRM
N#Cc1ccc(Cn2cccc(-c3nnn[n-]3)c2=O)c([N+](=O)[O-])c1	ZINC001592693668	1167601831	/nfs/dbraw/zinc/60/18/31/1167601831.db2.gz	UKYZWROZVQKMBX-UHFFFAOYSA-N	-1	0	323.272	0.857	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001600075931	1168112032	/nfs/dbraw/zinc/11/20/32/1168112032.db2.gz	FPKCTIFKRDAQMB-AAEUAGOBSA-N	-1	0	324.358	0.465	20	30		DCEDRM
Cc1cc(C(=O)N2CCN(C(=O)CC#N)CC2)oc1C(=O)[O-]	ZINC001600083160	1168115350	/nfs/dbraw/zinc/11/53/50/1168115350.db2.gz	PMJGZBDVNZQOMQ-UHFFFAOYSA-N	-1	0	305.290	0.484	20	30		DCEDRM
Cc1cc(C(=O)NCCC(=O)NCCC(=O)[O-])cc(C)c1C#N	ZINC001600093708	1168117538	/nfs/dbraw/zinc/11/75/38/1168117538.db2.gz	PMPVGAPVKJPYTL-UHFFFAOYSA-N	-1	0	317.345	0.886	20	30		DCEDRM
Cc1cc(NC(=O)NC[C@@]2(C(=O)[O-])CCOC2)nn1CCC#N	ZINC001600267056	1168153297	/nfs/dbraw/zinc/15/32/97/1168153297.db2.gz	PUBLPMBVERBHAA-AWEZNQCLSA-N	-1	0	321.337	0.718	20	30		DCEDRM
Cc1cc(NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c(C#N)cn1	ZINC001600280204	1168154610	/nfs/dbraw/zinc/15/46/10/1168154610.db2.gz	ZIRFAJCRWQAKRB-VXGBXAGGSA-N	-1	0	314.345	0.465	20	30		DCEDRM
Cc1cc(OCC(=O)N(CC#N)CC(=O)[O-])ccc1[N+](=O)[O-]	ZINC001600285461	1168155481	/nfs/dbraw/zinc/15/54/81/1168155481.db2.gz	CIARCKKINRHJIC-UHFFFAOYSA-N	-1	0	307.262	0.719	20	30		DCEDRM
Cc1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)cc1C#N	ZINC001600419400	1168181898	/nfs/dbraw/zinc/18/18/98/1168181898.db2.gz	HGUBCBTWBYEFGE-UHFFFAOYSA-N	-1	0	320.330	0.767	20	30		DCEDRM
Cc1nc(NCCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])ccc1C#N	ZINC001600715838	1168260828	/nfs/dbraw/zinc/26/08/28/1168260828.db2.gz	HFTFWAZEHDSKML-RYUDHWBXSA-N	-1	0	302.334	0.901	20	30		DCEDRM
Cn1c(CC#N)nn(CN2CCO[C@@H](CC(=O)[O-])C2)c1=S	ZINC001600911551	1168505350	/nfs/dbraw/zinc/50/53/50/1168505350.db2.gz	ICFNZIKBLSYACB-VIFPVBQESA-N	-1	0	311.367	0.150	20	30		DCEDRM
Cn1cnnc1SCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001600995397	1168553899	/nfs/dbraw/zinc/55/38/99/1168553899.db2.gz	QFVNTEVTWGRHQO-UHFFFAOYSA-N	-1	0	309.351	0.124	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CO[C@@H](C3CC3)C2)CC1	ZINC001601051291	1168577687	/nfs/dbraw/zinc/57/76/87/1168577687.db2.gz	JRFSOPJYJQIABM-VXGBXAGGSA-N	-1	0	307.350	0.954	20	30		DCEDRM
N#CC1(CNC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CCCC1	ZINC001601056358	1168578051	/nfs/dbraw/zinc/57/80/51/1168578051.db2.gz	GYXZDURWNSHDPJ-LBPRGKRZSA-N	-1	0	309.366	0.937	20	30		DCEDRM
N#CC1(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CCCCC1	ZINC001601056407	1168578602	/nfs/dbraw/zinc/57/86/02/1168578602.db2.gz	IXFDEWMELGMGGT-LBPRGKRZSA-N	-1	0	321.377	0.900	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)CCO1	ZINC001601060983	1168579190	/nfs/dbraw/zinc/57/91/90/1168579190.db2.gz	OUNAXVQTULWFCJ-HFXYEQLZSA-N	-1	0	323.349	0.333	20	30		DCEDRM
N#CCCCCNC(=O)C(=O)NCc1ccccc1CC(=O)[O-]	ZINC001601065645	1168579747	/nfs/dbraw/zinc/57/97/47/1168579747.db2.gz	LKZBXSQKJPSCBE-UHFFFAOYSA-N	-1	0	317.345	0.740	20	30		DCEDRM
N#CCCNC(=O)Cn1cnc2cc(C(=O)[O-])ccc2c1=O	ZINC001601068370	1168580347	/nfs/dbraw/zinc/58/03/47/1168580347.db2.gz	VYZZBHXUVAVDAA-UHFFFAOYSA-N	-1	0	300.274	0.125	20	30		DCEDRM
N#CCCNC(=O)CN1CCOc2ccccc2[C@H]1C(=O)[O-]	ZINC001601068329	1168580530	/nfs/dbraw/zinc/58/05/30/1168580530.db2.gz	SXTQHIOXOSMWPH-AWEZNQCLSA-N	-1	0	303.318	0.537	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CCc2nnc(C3CC3)n2C1	ZINC001601069965	1168580856	/nfs/dbraw/zinc/58/08/56/1168580856.db2.gz	SRNTYVLMZOBDHK-JTQLQIEISA-N	-1	0	303.322	0.155	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cc(F)cc([N+](=O)[O-])c1N	ZINC001601069882	1168581111	/nfs/dbraw/zinc/58/11/11/1168581111.db2.gz	IIGDUIFHBSHLNZ-UHFFFAOYSA-N	-1	0	310.241	0.757	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cnc(Cl)cc1Cl	ZINC001601072623	1168581499	/nfs/dbraw/zinc/58/14/99/1168581499.db2.gz	VFDVSAUJQBNUQS-UHFFFAOYSA-N	-1	0	324.145	0.987	20	30		DCEDRM
N#CCNCCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001601074489	1168582130	/nfs/dbraw/zinc/58/21/30/1168582130.db2.gz	AVARPNOBGGXCCJ-KBPBESRZSA-N	-1	0	301.346	0.849	20	30		DCEDRM
N#CCc1ccc(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC001601076910	1168582360	/nfs/dbraw/zinc/58/23/60/1168582360.db2.gz	BPEQBVWKGQWXFE-QWHCGFSZSA-N	-1	0	324.358	0.414	20	30		DCEDRM
N#CCNC(=O)CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001601074795	1168582379	/nfs/dbraw/zinc/58/23/79/1168582379.db2.gz	QWSAXPULAHFFDG-UHFFFAOYSA-N	-1	0	310.697	0.799	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NS(=O)(=O)c2csnc2C(=O)[O-])C1	ZINC001601079529	1168582749	/nfs/dbraw/zinc/58/27/49/1168582749.db2.gz	GJYRYEFSHHEHSQ-NKWVEPMBSA-N	-1	0	301.349	0.812	20	30		DCEDRM
N#CCc1cccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC001601077859	1168582773	/nfs/dbraw/zinc/58/27/73/1168582773.db2.gz	OCXAVWSPKXEURX-LLVKDONJSA-N	-1	0	301.302	0.624	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)ccc1F	ZINC001601084722	1168583379	/nfs/dbraw/zinc/58/33/79/1168583379.db2.gz	MJXHRVZEBZRTTH-ZDUSSCGKSA-N	-1	0	306.293	0.995	20	30		DCEDRM
N#Cc1cc(C(=O)[O-])cn(C[C@@H](O)COCc2ccco2)c1=O	ZINC001601087519	1168583407	/nfs/dbraw/zinc/58/34/07/1168583407.db2.gz	KPRXRNNMWMDKOQ-GFCCVEGCSA-N	-1	0	318.285	0.589	20	30		DCEDRM
N#Cc1cc(CNS(=O)(=O)CC2(C(=O)[O-])CCC2)ccn1	ZINC001601088411	1168583423	/nfs/dbraw/zinc/58/34/23/1168583423.db2.gz	VLOXSEQEPULNFC-UHFFFAOYSA-N	-1	0	309.347	0.628	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])ccc1F	ZINC001601085549	1168583555	/nfs/dbraw/zinc/58/35/55/1168583555.db2.gz	BSXQXUSXVMFGNZ-NSHDSACASA-N	-1	0	303.253	0.172	20	30		DCEDRM
N#Cc1ccc(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)[nH]1	ZINC001601092968	1168584185	/nfs/dbraw/zinc/58/41/85/1168584185.db2.gz	DQGCUKRYKKOYQL-UHFFFAOYSA-N	-1	0	312.285	0.953	20	30		DCEDRM
N#Cc1ccc(CC(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cn1	ZINC001601097588	1168584474	/nfs/dbraw/zinc/58/44/74/1168584474.db2.gz	BAVXKNDFEUIMPT-AWEZNQCLSA-N	-1	0	317.345	0.978	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@]2(CC(=O)[O-])CCCOC2)cc1	ZINC001601097152	1168584630	/nfs/dbraw/zinc/58/46/30/1168584630.db2.gz	YSYMBPXTXFRWQC-HOCLYGCPSA-N	-1	0	318.329	0.732	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1	ZINC001601096125	1168584661	/nfs/dbraw/zinc/58/46/61/1168584661.db2.gz	OJMBMCSXWGKWSX-OLZOCXBDSA-N	-1	0	314.301	0.127	20	30		DCEDRM
N#Cc1ccc([C@H]2CN(CCC(=O)NCC(=O)[O-])CCO2)cc1	ZINC001601098604	1168584683	/nfs/dbraw/zinc/58/46/83/1168584683.db2.gz	RURWCEVLEMXDQH-CQSZACIVSA-N	-1	0	317.345	0.522	20	30		DCEDRM
N#Cc1ccc(CN2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)s1	ZINC001601101098	1168585425	/nfs/dbraw/zinc/58/54/25/1168585425.db2.gz	YEJVXRWQOWHRIB-STQMWFEESA-N	-1	0	319.386	0.888	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)nc1	ZINC001601106925	1168586499	/nfs/dbraw/zinc/58/64/99/1168586499.db2.gz	KJUNOYFDYWZRTP-UHFFFAOYSA-N	-1	0	324.296	0.906	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)c1	ZINC001601124031	1168587993	/nfs/dbraw/zinc/58/79/93/1168587993.db2.gz	AJHZJTYRXQKVNI-BCUIYNNISA-N	-1	0	300.314	0.756	20	30		DCEDRM
N#Cc1ccccc1/C=C/C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001601125143	1168588771	/nfs/dbraw/zinc/58/87/71/1168588771.db2.gz	CEIAMVBMKGFNAH-AATRIKPKSA-N	-1	0	315.329	0.669	20	30		DCEDRM
N#Cc1ccccc1/C=C\C(=O)N[C@@H](Cn1cncn1)C(=O)[O-]	ZINC001601126305	1168589693	/nfs/dbraw/zinc/58/96/93/1168589693.db2.gz	SYMREOHDXHRJPX-SZZPACECSA-N	-1	0	311.301	0.433	20	30		DCEDRM
N#Cc1cnn2cc(CN3CCOC[C@H]3CC(=O)[O-])cnc12	ZINC001601130666	1168590651	/nfs/dbraw/zinc/59/06/51/1168590651.db2.gz	JGORRXSYQAOZAV-GFCCVEGCSA-N	-1	0	301.306	0.276	20	30		DCEDRM
N#Cc1cnccc1CN1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001601131515	1168590769	/nfs/dbraw/zinc/59/07/69/1168590769.db2.gz	CXHVLYDHKJZCSX-INIZCTEOSA-N	-1	0	316.361	0.315	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)n1	ZINC001601135352	1168592448	/nfs/dbraw/zinc/59/24/48/1168592448.db2.gz	RBTBRKCCQRRUNY-UHFFFAOYSA-N	-1	0	317.349	0.691	20	30		DCEDRM
N#Cc1nc(F)ccc1OS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001601133983	1168592599	/nfs/dbraw/zinc/59/25/99/1168592599.db2.gz	BGSLEGZNFTVJOX-UHFFFAOYSA-N	-1	0	323.261	0.953	20	30		DCEDRM
N#Cc1ncc(Br)cc1N1CC[C@@](O)(C(=O)[O-])C1	ZINC001601134688	1168592687	/nfs/dbraw/zinc/59/26/87/1168592687.db2.gz	XNNMJUMKOFLFGI-NSHDSACASA-N	-1	0	312.123	0.742	20	30		DCEDRM
N#Cc1sc(NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nc1Cl	ZINC001601136242	1168593798	/nfs/dbraw/zinc/59/37/98/1168593798.db2.gz	MCCFBRJQWBMFDN-PHDIDXHHSA-N	-1	0	314.754	0.917	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)n1	ZINC001601136167	1168594041	/nfs/dbraw/zinc/59/40/41/1168594041.db2.gz	JJJUYHLYDAQBOB-JTQLQIEISA-N	-1	0	318.337	0.046	20	30		DCEDRM
O=C(C#CC1CC1)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001601223789	1168666075	/nfs/dbraw/zinc/66/60/75/1168666075.db2.gz	LREXMERYVJXVHA-AAVRWANBSA-N	-1	0	318.373	0.664	20	30		DCEDRM
O=C([O-])c1cnc(N2CCC[C@@H](NC(=O)C#CC3CC3)C2)nc1	ZINC001601224138	1168666533	/nfs/dbraw/zinc/66/65/33/1168666533.db2.gz	RDULADLYLNTKSM-CYBMUJFWSA-N	-1	0	314.345	0.673	20	30		DCEDRM
O=C(C#CC1CC1)NCCC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001601223126	1168666988	/nfs/dbraw/zinc/66/69/88/1168666988.db2.gz	BZYONETWLUWXMC-QWHCGFSZSA-N	-1	0	318.373	0.523	20	30		DCEDRM
O=C([O-])[C@@H]1CO[C@H](CCC(=O)NCC#C[C@@H]2CCCCO2)C1	ZINC001601284187	1168689549	/nfs/dbraw/zinc/68/95/49/1168689549.db2.gz	HAPXTDQYXVXCAN-MELADBBJSA-N	-1	0	309.362	0.945	20	30		DCEDRM
C#CCC(C)(C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O	ZINC001602681630	1169156779	/nfs/dbraw/zinc/15/67/79/1169156779.db2.gz	PIKFRTBVVMSZQV-TVQRCGJNSA-N	-1	0	301.364	0.040	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC001602681624	1169156848	/nfs/dbraw/zinc/15/68/48/1169156848.db2.gz	PFLGJMRXYVHIFC-CQSZACIVSA-N	-1	0	302.330	0.971	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC001602683002	1169158133	/nfs/dbraw/zinc/15/81/33/1169158133.db2.gz	HVLLCJALVVQWDS-SNVBAGLBSA-N	-1	0	313.331	0.056	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cnc2sc(C)cn2c1=O)C(=O)[O-]	ZINC001602693245	1169162916	/nfs/dbraw/zinc/16/29/16/1169162916.db2.gz	NBEHKISEAHXMJH-SECBINFHSA-N	-1	0	305.315	0.271	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cnc2sc(C)cn2c1=O)C(=O)[O-]	ZINC001602693246	1169163075	/nfs/dbraw/zinc/16/30/75/1169163075.db2.gz	NBEHKISEAHXMJH-VIFPVBQESA-N	-1	0	305.315	0.271	20	30		DCEDRM
C#CCCCS(=O)(=O)Nc1c(-c2nn[nH]n2)c(C)nn1C	ZINC001602711599	1169165966	/nfs/dbraw/zinc/16/59/66/1169165966.db2.gz	ZUGGHDITPCESJX-UHFFFAOYSA-N	-1	0	309.355	0.064	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC001602701666	1169166418	/nfs/dbraw/zinc/16/64/18/1169166418.db2.gz	SAMPJZFUVOINEC-MRVPVSSYSA-N	-1	0	310.331	0.275	20	30		DCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC001602713683	1169167557	/nfs/dbraw/zinc/16/75/57/1169167557.db2.gz	OUMWBOVJTCZJTA-QWHCGFSZSA-N	-1	0	300.314	0.905	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001602719677	1169170503	/nfs/dbraw/zinc/17/05/03/1169170503.db2.gz	AIGRVZMNWVGYID-SNVBAGLBSA-N	-1	0	305.286	0.445	20	30		DCEDRM
C#CCNC(=O)CN1CCC(Cc2ncc(C(=O)[O-])s2)CC1	ZINC001602724569	1169172130	/nfs/dbraw/zinc/17/21/30/1169172130.db2.gz	CDMLADLBSQQMBE-UHFFFAOYSA-N	-1	0	321.402	0.845	20	30		DCEDRM
C#CCO[C@H](C)C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1	ZINC001602725319	1169172909	/nfs/dbraw/zinc/17/29/09/1169172909.db2.gz	AAWOZINLZHFDEV-LLVKDONJSA-N	-1	0	311.334	0.472	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1	ZINC001602730606	1169174831	/nfs/dbraw/zinc/17/48/31/1169174831.db2.gz	UZTAGLULLJCRIL-CHWSQXEVSA-N	-1	0	303.314	0.606	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001602734510	1169175692	/nfs/dbraw/zinc/17/56/92/1169175692.db2.gz	NXYVJQUYBSURNG-VXGBXAGGSA-N	-1	0	318.329	0.998	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)cn1	ZINC001602739574	1169176214	/nfs/dbraw/zinc/17/62/14/1169176214.db2.gz	JOVWCWDCBBDLBC-RYUDHWBXSA-N	-1	0	302.286	0.009	20	30		DCEDRM
C=C(Br)CNC(=O)C(=O)NC1CC(CC(=O)[O-])C1	ZINC001602744669	1169178419	/nfs/dbraw/zinc/17/84/19/1169178419.db2.gz	IKXCGNJCNJFISP-UHFFFAOYSA-N	-1	0	319.155	0.381	20	30		DCEDRM
C#Cc1cncc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)OC)c1	ZINC001602743255	1169176683	/nfs/dbraw/zinc/17/66/83/1169176683.db2.gz	KCBHRZUNOZAVFZ-YPMHNXCESA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC001602755168	1169178794	/nfs/dbraw/zinc/17/87/94/1169178794.db2.gz	JIHRVGUNCMMCRJ-RKDXNWHRSA-N	-1	0	310.272	0.979	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCNc1cc(OC)ncn1	ZINC001602784378	1169182551	/nfs/dbraw/zinc/18/25/51/1169182551.db2.gz	RKVUETSMWWIHLS-UHFFFAOYSA-N	-1	0	308.338	0.824	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCC(=O)NCc1cccnc1	ZINC001602781716	1169182984	/nfs/dbraw/zinc/18/29/84/1169182984.db2.gz	CDHNPWHFBUJFAK-UHFFFAOYSA-N	-1	0	305.334	0.625	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001602787544	1169183473	/nfs/dbraw/zinc/18/34/73/1169183473.db2.gz	KHNZBQPACASCCY-AWEZNQCLSA-N	-1	0	310.306	0.328	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)C1	ZINC001602805650	1169187012	/nfs/dbraw/zinc/18/70/12/1169187012.db2.gz	FCFSENDSKVYWTD-NWDGAFQWSA-N	-1	0	320.389	0.980	20	30		DCEDRM
C=C[C@@H](Nc1ccccc1OCC(=O)N1CCOCC1)C(=O)[O-]	ZINC001602820846	1169188131	/nfs/dbraw/zinc/18/81/31/1169188131.db2.gz	OZDGETBLCBDWBG-GFCCVEGCSA-N	-1	0	320.345	0.975	20	30		DCEDRM
C=C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-]	ZINC001602820291	1169189023	/nfs/dbraw/zinc/18/90/23/1169189023.db2.gz	GKZPEQMPDGMWOM-PWSUYJOCSA-N	-1	0	304.302	0.613	20	30		DCEDRM
C=CCCCS(=O)(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC001602880327	1169198281	/nfs/dbraw/zinc/19/82/81/1169198281.db2.gz	KGBNNHMUCKOWHG-GHMZBOCLSA-N	-1	0	319.379	0.621	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(CN2CCCC2)on1)C(=O)[O-]	ZINC001602908610	1169201777	/nfs/dbraw/zinc/20/17/77/1169201777.db2.gz	ABHVHWCMGUOIPB-ZDUSSCGKSA-N	-1	0	323.349	0.656	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21)C(=O)[O-]	ZINC001602910214	1169202841	/nfs/dbraw/zinc/20/28/41/1169202841.db2.gz	QROCVJGHDOZDIB-USWWRNFRSA-N	-1	0	307.350	0.848	20	30		DCEDRM
CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2cnn(C)n2)o1	ZINC001602911363	1169202960	/nfs/dbraw/zinc/20/29/60/1169202960.db2.gz	CSBGJELIPXCXPU-UHFFFAOYSA-N	-1	0	316.329	0.943	20	30		DCEDRM
C=CCn1c(C)nnc1N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001602932070	1169210225	/nfs/dbraw/zinc/21/02/25/1169210225.db2.gz	IZVJIAWKYVPRLD-LLVKDONJSA-N	-1	0	317.353	0.904	20	30		DCEDRM
C=CCn1c(C2CC2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001602932125	1169210683	/nfs/dbraw/zinc/21/06/83/1169210683.db2.gz	KIVWLMPZTWRHMA-GHMZBOCLSA-N	-1	0	320.349	0.652	20	30		DCEDRM
C=CCn1c(N2CC[C@@](OC)(C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001602937049	1169212214	/nfs/dbraw/zinc/21/22/14/1169212214.db2.gz	NBOAFBQJYWUDNY-AWEZNQCLSA-N	-1	0	308.338	0.125	20	30		DCEDRM
CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001602945008	1169216007	/nfs/dbraw/zinc/21/60/07/1169216007.db2.gz	BGJZWTGDSMNXTG-SNVBAGLBSA-N	-1	0	322.292	0.353	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001602945349	1169216223	/nfs/dbraw/zinc/21/62/23/1169216223.db2.gz	HKTQJKVHOCNIKM-LBPRGKRZSA-N	-1	0	318.329	0.522	20	30		DCEDRM
CC#CCN(C)C(=O)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC001602947502	1169218055	/nfs/dbraw/zinc/21/80/55/1169218055.db2.gz	YNUXGUYGCFLEEC-UHFFFAOYSA-N	-1	0	318.329	0.951	20	30		DCEDRM
CC#CCN(C)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001602946690	1169218743	/nfs/dbraw/zinc/21/87/43/1169218743.db2.gz	BWESKJDQWOLLCA-UHFFFAOYSA-N	-1	0	317.345	0.917	20	30		DCEDRM
C[C@@](C#N)(NC(=O)CN[C@@H](C(=O)[O-])c1cccc(O)c1)C1CC1	ZINC001603126882	1169250283	/nfs/dbraw/zinc/25/02/83/1169250283.db2.gz	RGHNKQNOYFSIRP-ZBFHGGJFSA-N	-1	0	317.345	0.916	20	30		DCEDRM
C[C@H](CNc1cnc(C#N)c(-c2nnn[n-]2)n1)Cn1ccnc1	ZINC001603559841	1169324526	/nfs/dbraw/zinc/32/45/26/1169324526.db2.gz	NBXGMVAMDOXQNF-SECBINFHSA-N	-1	0	310.325	0.473	20	30		DCEDRM
CC(C)C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC001603832374	1169405494	/nfs/dbraw/zinc/40/54/94/1169405494.db2.gz	VJUGKEXQRCYTQI-QWRGUYRKSA-N	-1	0	305.400	0.896	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1	ZINC001604492134	1169603481	/nfs/dbraw/zinc/60/34/81/1169603481.db2.gz	FICMIAPZLQMTFV-RWSFTLGLSA-N	-1	0	307.350	0.508	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCC1CCC(C#N)CC1	ZINC001604627373	1169636713	/nfs/dbraw/zinc/63/67/13/1169636713.db2.gz	QPRINSSOQJYYEY-IKWCTNDRSA-N	-1	0	321.377	0.754	20	30		DCEDRM
CO[C@@H]1C[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C12CCC2	ZINC001605025704	1169784476	/nfs/dbraw/zinc/78/44/76/1169784476.db2.gz	ZSYACEPFOSJRCC-NXEZZACHSA-N	-1	0	312.337	0.898	20	30		DCEDRM
CCCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(C#N)nn1	ZINC001605316508	1169893456	/nfs/dbraw/zinc/89/34/56/1169893456.db2.gz	WCXLLXCCEPIICD-NWDGAFQWSA-N	-1	0	317.349	0.402	20	30		DCEDRM
C[C@@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H](C)O1	ZINC001605445706	1169923934	/nfs/dbraw/zinc/92/39/34/1169923934.db2.gz	XMSAYSKDKTZMKQ-BDAKNGLRSA-N	-1	0	300.326	0.532	20	30		DCEDRM
CCOC(=O)[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CCO1	ZINC001605530650	1169949493	/nfs/dbraw/zinc/94/94/93/1169949493.db2.gz	CYEJNECUAQZTIB-LBPRGKRZSA-N	-1	0	305.290	0.420	20	30		DCEDRM
CCc1nc(C#N)cc(N(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1	ZINC001605845120	1170011420	/nfs/dbraw/zinc/01/14/20/1170011420.db2.gz	ZJAVHVLBAFVUCZ-WDEREUQCSA-N	-1	0	317.349	0.184	20	30		DCEDRM
CN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[C@@H]1CCC[C@@H]1C#N	ZINC001605961082	1170038605	/nfs/dbraw/zinc/03/86/05/1170038605.db2.gz	SOJYSYBQKBNHFH-GRYCIOLGSA-N	-1	0	307.350	0.460	20	30		DCEDRM
Cc1nc(C#N)c(-c2nn[nH]n2)n1CC1(CS(C)(=O)=O)CC1	ZINC001606023970	1170055497	/nfs/dbraw/zinc/05/54/97/1170055497.db2.gz	QHFFOEZQRGTPOB-UHFFFAOYSA-N	-1	0	321.366	0.068	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(Cl)c(C#N)c1	ZINC001606322725	1170158508	/nfs/dbraw/zinc/15/85/08/1170158508.db2.gz	BASVZGPOVUWIRW-SNVBAGLBSA-N	-1	0	310.693	0.958	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(F)cc2F)[n-]c1-c1nn[nH]n1	ZINC001606355409	1170169456	/nfs/dbraw/zinc/16/94/56/1170169456.db2.gz	AAISNQKONDKFRK-UHFFFAOYSA-N	-1	0	316.231	0.992	20	30		DCEDRM
N#Cc1c2ccccc2[nH]c1C(=O)n1ncc(-c2nn[nH]n2)c1N	ZINC001606356542	1170169591	/nfs/dbraw/zinc/16/95/91/1170169591.db2.gz	XRRJDJDOMBCSGP-UHFFFAOYSA-N	-1	0	319.288	0.687	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@@H](Nc1ccnc(-c3nnn[n-]3)n1)C2	ZINC001606381183	1170175714	/nfs/dbraw/zinc/17/57/14/1170175714.db2.gz	JCBZOVSEWCXNST-LBPRGKRZSA-N	-1	0	304.317	0.530	20	30		DCEDRM
N#Cc1ncc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)nc1-c1nnn[n-]1	ZINC001606397891	1170184395	/nfs/dbraw/zinc/18/43/95/1170184395.db2.gz	AMTVSVQQUMLNQU-KVSKUHBBSA-N	-1	0	304.264	0.984	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2cc(C#N)ccn2)[C@H](C(=O)[O-])C1	ZINC001606406399	1170188374	/nfs/dbraw/zinc/18/83/74/1170188374.db2.gz	FKNAPHIOKJPOIR-PWSUYJOCSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2cccc(CC#N)c2)C[C@H]1C(=O)[O-]	ZINC001606427141	1170197686	/nfs/dbraw/zinc/19/76/86/1170197686.db2.gz	WBXPETCZHKBHCM-OLZOCXBDSA-N	-1	0	316.313	0.698	20	30		DCEDRM
COC(=O)c1cc(NC(=O)NCC#CCO)ccc1C(=O)[O-]	ZINC001606554795	1170234272	/nfs/dbraw/zinc/23/42/72/1170234272.db2.gz	IGTMMZSCRVMRIP-UHFFFAOYSA-N	-1	0	306.274	0.289	20	30		DCEDRM
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)NCCC#N	ZINC001606638190	1170251661	/nfs/dbraw/zinc/25/16/61/1170251661.db2.gz	OORJOGLPKPRYOG-UHFFFAOYSA-N	-1	0	318.332	0.425	20	30		DCEDRM
COCCN(Cc1cccc(C(=O)[O-])c1C#N)[C@H](C)C(N)=O	ZINC001606891383	1170323671	/nfs/dbraw/zinc/32/36/71/1170323671.db2.gz	JIRQVSBRSINTOY-SNVBAGLBSA-N	-1	0	305.334	0.579	20	30		DCEDRM
CS(=O)(=O)CCOCCNc1ccc(C(=O)[O-])nc1C#N	ZINC001607370727	1170439191	/nfs/dbraw/zinc/43/91/91/1170439191.db2.gz	PTTMNQYSNAVTFF-UHFFFAOYSA-N	-1	0	313.335	0.125	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)Nc2sccc2C#N)C[C@@H](C(=O)[O-])O1	ZINC001607429827	1170451068	/nfs/dbraw/zinc/45/10/68/1170451068.db2.gz	FPZNFSLHDHWDJU-APPZFPTMSA-N	-1	0	323.330	0.259	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)Nc1cccc(CC#N)n1)C(=O)[O-]	ZINC001607458954	1170458104	/nfs/dbraw/zinc/45/81/04/1170458104.db2.gz	UXGGJSLSGURXOO-IUCAKERBSA-N	-1	0	319.321	0.247	20	30		DCEDRM
Cc1nc(C(=O)[O-])cn1CCS(=O)(=O)c1ccc(C#N)cn1	ZINC001607946726	1170531273	/nfs/dbraw/zinc/53/12/73/1170531273.db2.gz	ZQRYKZUXCYOJCC-UHFFFAOYSA-N	-1	0	320.330	0.630	20	30		DCEDRM
Cc1oc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1C(=O)[O-]	ZINC001608051914	1170559966	/nfs/dbraw/zinc/55/99/66/1170559966.db2.gz	NOIVEHKWSMRVEQ-UHFFFAOYSA-N	-1	0	318.289	0.167	20	30		DCEDRM
Cn1cc(CN2CC(O)(C(=O)[O-])C2)c(-c2ccc(C#N)cc2)n1	ZINC001608112912	1170577020	/nfs/dbraw/zinc/57/70/20/1170577020.db2.gz	RXDOOPPHTNFWKK-UHFFFAOYSA-N	-1	0	312.329	0.590	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC001608172353	1170609097	/nfs/dbraw/zinc/60/90/97/1170609097.db2.gz	YGPIMZPYRAESCO-UHFFFAOYSA-N	-1	0	307.266	0.008	20	30		DCEDRM
N#CC1(CS(=O)(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)CC1	ZINC001608175716	1170609342	/nfs/dbraw/zinc/60/93/42/1170609342.db2.gz	MHVVLIGECHRRIG-NSHDSACASA-N	-1	0	316.379	0.576	20	30		DCEDRM
N#C[C@]1(c2ccccn2)CCCN(CC(=O)NCCC(=O)[O-])C1	ZINC001608177250	1170610919	/nfs/dbraw/zinc/61/09/19/1170610919.db2.gz	ONKFMQJDFHNBMN-MRXNPFEDSA-N	-1	0	316.361	0.530	20	30		DCEDRM
N#C[C@@H]1C[C@@H]1c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1CC1CC1	ZINC001608179576	1170611002	/nfs/dbraw/zinc/61/10/02/1170611002.db2.gz	XPEDSEIEWHHUPB-SDDRHHMPSA-N	-1	0	317.349	0.605	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC001608183141	1170611233	/nfs/dbraw/zinc/61/12/33/1170611233.db2.gz	BUHUBJWWJJKTTH-UHFFFAOYSA-N	-1	0	323.330	0.170	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)CCc1ccc(F)cc1	ZINC001608184055	1170611529	/nfs/dbraw/zinc/61/15/29/1170611529.db2.gz	OOEMVWWCEMYTHR-UHFFFAOYSA-N	-1	0	300.311	0.608	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1c[nH]c(=O)c(C(F)(F)F)c1	ZINC001608183990	1170611566	/nfs/dbraw/zinc/61/15/66/1170611566.db2.gz	NRTKEXGULYVTRM-UHFFFAOYSA-N	-1	0	303.196	0.856	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O	ZINC001608183153	1170611779	/nfs/dbraw/zinc/61/17/79/1170611779.db2.gz	INQFVKLBENTSOU-NWDGAFQWSA-N	-1	0	302.286	0.728	20	30		DCEDRM
N#CCN(CCC(=O)[O-])CC(=O)Nc1ccccc1C(N)=O	ZINC001608186465	1170612407	/nfs/dbraw/zinc/61/24/07/1170612407.db2.gz	NNBWGKLOYPPPGX-UHFFFAOYSA-N	-1	0	304.306	0.024	20	30		DCEDRM
N#C[C@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001608190949	1170612712	/nfs/dbraw/zinc/61/27/12/1170612712.db2.gz	FGFRWJQTTLDOLS-SZEHBUNVSA-N	-1	0	319.342	0.827	20	30		DCEDRM
N#CCSCC(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001608187428	1170613156	/nfs/dbraw/zinc/61/31/56/1170613156.db2.gz	YWVQCOKYPGSJDI-SECBINFHSA-N	-1	0	321.362	0.126	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])ccc1F	ZINC001608194543	1170613872	/nfs/dbraw/zinc/61/38/72/1170613872.db2.gz	YSEJCTJQOVBVBW-NSHDSACASA-N	-1	0	308.265	0.643	20	30		DCEDRM
N#Cc1c(F)cccc1C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001608194604	1170614123	/nfs/dbraw/zinc/61/41/23/1170614123.db2.gz	SIXXPLJTLJALJY-LBPRGKRZSA-N	-1	0	320.276	0.930	20	30		DCEDRM
N#Cc1cc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cs1	ZINC001608196514	1170614165	/nfs/dbraw/zinc/61/41/65/1170614165.db2.gz	DSWUKUALDSUYIV-HNNXBMFYSA-N	-1	0	321.402	0.981	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)NCCOCC(=O)[O-])c(F)c1	ZINC001608206323	1170614668	/nfs/dbraw/zinc/61/46/68/1170614668.db2.gz	UFMVLIJOBHMTAB-UHFFFAOYSA-N	-1	0	316.310	0.218	20	30		DCEDRM
N#Cc1ccc(NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCC2)nn1	ZINC001608208699	1170616058	/nfs/dbraw/zinc/61/60/58/1170616058.db2.gz	LHLOIYPEYUYVHP-QWRGUYRKSA-N	-1	0	315.333	0.520	20	30		DCEDRM
N#Cc1ccc(F)c(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])c1	ZINC001608206988	1170616380	/nfs/dbraw/zinc/61/63/80/1170616380.db2.gz	SNYALOPUILZEPJ-CYBMUJFWSA-N	-1	0	305.309	0.863	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCSC[C@H]2C(=O)[O-])c1	ZINC001608218442	1170617439	/nfs/dbraw/zinc/61/74/39/1170617439.db2.gz	OXYLHQAECMOKLP-LBPRGKRZSA-N	-1	0	306.343	0.966	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N[C@@H](C(=O)[O-])C2CCOCC2)c1	ZINC001608218182	1170617461	/nfs/dbraw/zinc/61/74/61/1170617461.db2.gz	ITKUTCIWCRXIRA-OAHLLOKOSA-N	-1	0	318.329	0.933	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)OCC(=O)NCCC(=O)[O-]	ZINC001608219020	1170617597	/nfs/dbraw/zinc/61/75/97/1170617597.db2.gz	GIJKLXJUZPWHBJ-UHFFFAOYSA-N	-1	0	306.274	0.071	20	30		DCEDRM
N#Cc1ccnc(N2CCN(c3ccc(C(=O)[O-])nn3)CC2)c1	ZINC001608220645	1170618014	/nfs/dbraw/zinc/61/80/14/1170618014.db2.gz	ICAUKIFPXDXSIM-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1cccnc1N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001608221146	1170618723	/nfs/dbraw/zinc/61/87/23/1170618723.db2.gz	COWICMKWDKPYAN-OJAKKHQRSA-N	-1	0	314.345	0.981	20	30		DCEDRM
N#Cc1cnccc1N1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001608223137	1170619529	/nfs/dbraw/zinc/61/95/29/1170619529.db2.gz	VDYMGBMKPWZNTL-OLZOCXBDSA-N	-1	0	314.345	0.713	20	30		DCEDRM
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(C(=O)NO)cc2)O1	ZINC001608485000	1170687331	/nfs/dbraw/zinc/68/73/31/1170687331.db2.gz	YOFVDEPONDXCJA-MNOVXSKESA-N	-1	0	308.290	0.054	20	30		DCEDRM
O=C([O-])COc1cccc(NC(=O)N[C@H]2CCCN(O)C2=O)c1	ZINC001608764799	1170752854	/nfs/dbraw/zinc/75/28/54/1170752854.db2.gz	RIBYIAMOHLNUHX-NSHDSACASA-N	-1	0	323.305	0.652	20	30		DCEDRM
C=C(C)CN(CC)S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001609050960	1170793604	/nfs/dbraw/zinc/79/36/04/1170793604.db2.gz	JKCNZHIHOSLERB-UHFFFAOYSA-N	-1	0	308.367	0.848	20	30		DCEDRM
C=CC[C@H](CC)NS(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001609053346	1170793688	/nfs/dbraw/zinc/79/36/88/1170793688.db2.gz	JEJURWOVMXZESQ-VIFPVBQESA-N	-1	0	308.367	0.895	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)[C@@H]1CCCO1	ZINC001609058308	1170794512	/nfs/dbraw/zinc/79/45/12/1170794512.db2.gz	WBDAUTPYQVZYJZ-NEPJUHHUSA-N	-1	0	315.391	0.732	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCCNC(=O)NC1CCCCC1)C(=O)[O-]	ZINC001609078851	1170802709	/nfs/dbraw/zinc/80/27/09/1170802709.db2.gz	MIZWYSSDUDCGDI-CYBMUJFWSA-N	-1	0	323.393	0.991	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)Cn1cccc(-c2nnn[n-]2)c1=O	ZINC001609087146	1170804493	/nfs/dbraw/zinc/80/44/93/1170804493.db2.gz	ZTTIHRAIQORINW-CQSZACIVSA-N	-1	0	315.337	0.083	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001609105075	1170809124	/nfs/dbraw/zinc/80/91/24/1170809124.db2.gz	IBVYQLDEIFNXFZ-NSHDSACASA-N	-1	0	315.322	0.577	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001609290803	1170914444	/nfs/dbraw/zinc/91/44/44/1170914444.db2.gz	ZELMRIKDFYKXHY-SECBINFHSA-N	-1	0	310.281	0.516	20	30		DCEDRM
COc1ccc(O)c(C=NCCn2cnc(-c3nnn[n-]3)n2)c1	ZINC001609358328	1170950108	/nfs/dbraw/zinc/95/01/08/1170950108.db2.gz	QTBRADIMPFSKHA-AUWJEWJLSA-N	-1	0	314.309	0.292	20	30		DCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001609398662	1170965949	/nfs/dbraw/zinc/96/59/49/1170965949.db2.gz	ANBZQPXTFQVEKO-JTQLQIEISA-N	-1	0	307.302	0.998	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC001609442853	1170978121	/nfs/dbraw/zinc/97/81/21/1170978121.db2.gz	HZEBDUNUSBJTEZ-LLVKDONJSA-N	-1	0	305.290	0.654	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC001609442959	1170978602	/nfs/dbraw/zinc/97/86/02/1170978602.db2.gz	MJJPRLKFDWITQT-LLVKDONJSA-N	-1	0	320.301	0.403	20	30		DCEDRM
C=CCn1c(C)cc(C(=O)CN2C[C@H](O)C[C@@H]2C(=O)[O-])c1C	ZINC001609470322	1170989786	/nfs/dbraw/zinc/98/97/86/1170989786.db2.gz	NUNIYWCFGVBXDF-TZMCWYRMSA-N	-1	0	306.362	0.993	20	30		DCEDRM
C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cnccc2C#N)CC1	ZINC001609734871	1171076030	/nfs/dbraw/zinc/07/60/30/1171076030.db2.gz	DADSHQPYAGROQH-LLVKDONJSA-N	-1	0	302.334	0.574	20	30		DCEDRM
C[C@H](OC(=O)COc1ccccc1C#N)C(=O)NCC(=O)[O-]	ZINC001609798924	1171089182	/nfs/dbraw/zinc/08/91/82/1171089182.db2.gz	LJEBWKNBNSLBOS-VIFPVBQESA-N	-1	0	306.274	0.070	20	30		DCEDRM
CCCCn1nnnc1Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001609972450	1171130053	/nfs/dbraw/zinc/13/00/53/1171130053.db2.gz	COVCMBCOHVSVBX-UHFFFAOYSA-N	-1	0	302.294	0.253	20	30		DCEDRM
CCN1CCN(C(=O)[C@H](C)N2CCC(C#N)(C(=O)[O-])CC2)CC1	ZINC001610007167	1171136672	/nfs/dbraw/zinc/13/66/72/1171136672.db2.gz	LKUUPYNYDTXMHB-ZDUSSCGKSA-N	-1	0	322.409	0.229	20	30		DCEDRM
CN1CC[C@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1=O	ZINC001610128828	1171165257	/nfs/dbraw/zinc/16/52/57/1171165257.db2.gz	DPBRPXWHAAAPHA-NWDGAFQWSA-N	-1	0	302.286	0.705	20	30		DCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)nc1	ZINC001610179162	1171187972	/nfs/dbraw/zinc/18/79/72/1171187972.db2.gz	YYSOKGFTJDNKRK-SKDRFNHKSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C#N)CCc1ccccc1	ZINC001610182942	1171190624	/nfs/dbraw/zinc/19/06/24/1171190624.db2.gz	USPVKRGQYDPQQG-CYBMUJFWSA-N	-1	0	318.329	0.845	20	30		DCEDRM
CO[C@@H]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)[C@@H](C(=O)[O-])C1	ZINC001610238851	1171203808	/nfs/dbraw/zinc/20/38/08/1171203808.db2.gz	ISOYRPXLWXQFSV-MGPQQGTHSA-N	-1	0	318.329	0.682	20	30		DCEDRM
Cn1cc(C#N)c(=O)n(Cc2ccc(C(=O)[O-])c(F)c2)c1=O	ZINC001610599084	1171262892	/nfs/dbraw/zinc/26/28/92/1171262892.db2.gz	GPKZEDHSQYBWBB-UHFFFAOYSA-N	-1	0	303.249	0.304	20	30		DCEDRM
N#Cc1c(F)cc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1F	ZINC001610624174	1171271462	/nfs/dbraw/zinc/27/14/62/1171271462.db2.gz	LTWDZBQONGBSDS-UHFFFAOYSA-N	-1	0	321.243	0.443	20	30		DCEDRM
N#CCCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC001610621976	1171271513	/nfs/dbraw/zinc/27/15/13/1171271513.db2.gz	XHTKYFMNHWZUML-LBPRGKRZSA-N	-1	0	317.301	0.285	20	30		DCEDRM
N#Cc1cccnc1N1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC001610633594	1171273623	/nfs/dbraw/zinc/27/36/23/1171273623.db2.gz	RSONVNUPVVHWKY-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
Cc1ccc(NCCNc2[n-]c(=O)n(C)c(=O)c2C#N)nc1	ZINC001612959998	1171366213	/nfs/dbraw/zinc/36/62/13/1171366213.db2.gz	REZLCHKPTAQIBL-UHFFFAOYSA-N	-1	0	300.322	0.173	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001617154838	1171385325	/nfs/dbraw/zinc/38/53/25/1171385325.db2.gz	DRZUCQHVYCBUHG-NSHDSACASA-N	-1	0	317.349	0.503	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2[n-]c(=O)c(C#N)cc2C)C1=O	ZINC001618021926	1171393113	/nfs/dbraw/zinc/39/31/13/1171393113.db2.gz	ODWZKGSRJBPRJW-LBPRGKRZSA-N	-1	0	314.345	0.826	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)c1ccc(Br)cc1C#N	ZINC001627127353	1171497540	/nfs/dbraw/zinc/49/75/40/1171497540.db2.gz	LYPBDELNXHHJLP-UHFFFAOYSA-N	-1	0	312.123	0.728	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)C2=NN(CCO)C(=O)CC2)c1	ZINC001633077549	1171632357	/nfs/dbraw/zinc/63/23/57/1171632357.db2.gz	XNCHNPUDFNHGDF-UHFFFAOYSA-N	-1	0	302.290	0.173	20	30		DCEDRM
C#C[C@@H](C)N(C)C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O	ZINC001635422913	1171702234	/nfs/dbraw/zinc/70/22/34/1171702234.db2.gz	HWWWOVFGWUCNFR-SNVBAGLBSA-N	-1	0	315.304	0.968	20	30		DCEDRM
Cc1c2cc[nH]c2ncc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001639103185	1171821170	/nfs/dbraw/zinc/82/11/70/1171821170.db2.gz	TZHPODNMQMUBJW-UHFFFAOYSA-N	-1	0	324.300	0.596	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc3nccn3c2)c(=O)[n-]c1=O	ZINC001641103536	1171905345	/nfs/dbraw/zinc/90/53/45/1171905345.db2.gz	DATAXIGGVLLDGC-UHFFFAOYSA-N	-1	0	310.273	0.107	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCCC(F)F)c(=O)[n-]c1=O	ZINC001645024747	1172026876	/nfs/dbraw/zinc/02/68/76/1172026876.db2.gz	PZAMLUCXJOLXED-UHFFFAOYSA-N	-1	0	300.265	0.372	20	30		DCEDRM
N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1nc(=O)o[n-]1	ZINC001645788122	1172141034	/nfs/dbraw/zinc/14/10/34/1172141034.db2.gz	UKTLXTAGFALWIX-UHFFFAOYSA-N	-1	0	314.710	0.366	20	30		DCEDRM
CCC1(CC)[C@H](N(C)c2[n-]c(=O)n(C)c(=O)c2C#N)C[C@@H]1OC	ZINC001646634397	1172449601	/nfs/dbraw/zinc/44/96/01/1172449601.db2.gz	OUJZAJPCORRZSZ-NEPJUHHUSA-N	-1	0	320.393	0.975	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CCOCC23CCCC3)c(C#N)c1=O	ZINC001646636973	1172451653	/nfs/dbraw/zinc/45/16/53/1172451653.db2.gz	FRSFZYSCLZKBRQ-LLVKDONJSA-N	-1	0	304.350	0.706	20	30		DCEDRM
N#C[C@@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC2CC2)C1	ZINC001646943759	1172593222	/nfs/dbraw/zinc/59/32/22/1172593222.db2.gz	DJUVUCGUZWIEEU-NSHDSACASA-N	-1	0	313.365	0.652	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2COC(=O)C2)cc1	ZINC001647108989	1172678784	/nfs/dbraw/zinc/67/87/84/1172678784.db2.gz	HWPQNBQKRDOKKK-SNVBAGLBSA-N	-1	0	308.315	0.316	20	30		DCEDRM
CCC1(CC)[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C[C@H]1OC	ZINC001647630427	1173007082	/nfs/dbraw/zinc/00/70/82/1173007082.db2.gz	KIUVXSPKIKZOFG-GHMZBOCLSA-N	-1	0	306.366	0.951	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@@H](O)[C@H]2CCCO2)cc1C#N	ZINC001649927161	1173313571	/nfs/dbraw/zinc/31/35/71/1173313571.db2.gz	MJNCWGNCFZFHQY-GHMZBOCLSA-N	-1	0	323.374	0.650	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)OCC	ZINC001660991164	1174082676	/nfs/dbraw/zinc/08/26/76/1174082676.db2.gz	DONSWDPOGWYJBY-NEPJUHHUSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C#CCCCCC(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001665627137	1174542430	/nfs/dbraw/zinc/54/24/30/1174542430.db2.gz	LTPBVUXFNKYART-GFCCVEGCSA-N	-1	0	305.382	0.737	20	30		DCEDRM
C#CCN(CC(=O)[O-])Cc1cccc(S(=O)(=O)N(C)C)c1	ZINC000092483552	1175593681	/nfs/dbraw/zinc/59/36/81/1175593681.db2.gz	GECVVSWCBFSVAB-UHFFFAOYSA-N	-1	0	310.375	0.457	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001678167267	1175631140	/nfs/dbraw/zinc/63/11/40/1175631140.db2.gz	MBUNPXNOCCIKPC-ONGXEEELSA-N	-1	0	322.365	0.039	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C(=O)C#CC(C)C)C2CC2)c1[O-]	ZINC001688484570	1176506572	/nfs/dbraw/zinc/50/65/72/1176506572.db2.gz	XHJLCNPPYVFGGL-UHFFFAOYSA-N	-1	0	318.377	0.804	20	30		DCEDRM
CC#CCCCC(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001688635225	1176556490	/nfs/dbraw/zinc/55/64/90/1176556490.db2.gz	SPIHFYLEBAGQIB-UHFFFAOYSA-N	-1	0	304.350	0.558	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001689297115	1176803295	/nfs/dbraw/zinc/80/32/95/1176803295.db2.gz	GGJZHWIXLJJUCX-YVACAVLKSA-N	-1	0	322.365	0.153	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](NC(=O)C#CC2CC2)C2CC2)c1[O-]	ZINC001703834739	1179691595	/nfs/dbraw/zinc/69/15/95/1179691595.db2.gz	FTVUXJUQKDBOOD-GFCCVEGCSA-N	-1	0	316.361	0.462	20	30		DCEDRM
C=CCOCC(=O)NC[C@@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001725240729	1184732643	/nfs/dbraw/zinc/73/26/43/1184732643.db2.gz	RFCYWVJGYMGKIM-LBPRGKRZSA-N	-1	0	323.397	0.574	20	30		DCEDRM
C#CCOCCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001725618204	1184914494	/nfs/dbraw/zinc/91/44/94/1184914494.db2.gz	DUDQCWSCNFJIDM-NEPJUHHUSA-N	-1	0	321.381	0.019	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)C#CC(C)C)c1[O-]	ZINC001725963633	1185057805	/nfs/dbraw/zinc/05/78/05/1185057805.db2.gz	KLABZSOIBGQHJQ-JTQLQIEISA-N	-1	0	306.366	0.660	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001733801240	1186454393	/nfs/dbraw/zinc/45/43/93/1186454393.db2.gz	GMSBXIRDBJTVCQ-JTQLQIEISA-N	-1	0	321.381	0.182	20	30		DCEDRM
C=CCCOCC(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001734638983	1186715076	/nfs/dbraw/zinc/71/50/76/1186715076.db2.gz	BNBNBXXEITWMCZ-UHFFFAOYSA-N	-1	0	321.381	0.351	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCCCNC(=O)[C@H](C)C#N)c1[O-]	ZINC001735669261	1186933838	/nfs/dbraw/zinc/93/38/38/1186933838.db2.gz	QXQVJTCEXWCPLP-ZJUUUORDSA-N	-1	0	321.381	0.988	20	30		DCEDRM
C=CC(C)(C)C(=O)NCC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001737670837	1187384151	/nfs/dbraw/zinc/38/41/51/1187384151.db2.gz	OUEPTXJBIBDZKG-MRVPVSSYSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C=CCOCC(=O)N(C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001738796642	1187655903	/nfs/dbraw/zinc/65/59/03/1187655903.db2.gz	ZSXYKGMDMZGOIH-SECBINFHSA-N	-1	0	310.354	0.203	20	30		DCEDRM
C=CCN1CC[C@@H]1CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001754505834	1188870693	/nfs/dbraw/zinc/87/06/93/1188870693.db2.gz	UDFHIOHWNVCIAC-SECBINFHSA-N	-1	0	307.316	0.820	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@@H]2COC(=O)C2)CCCC1	ZINC001771645302	1190396031	/nfs/dbraw/zinc/39/60/31/1190396031.db2.gz	MGFUWUNCSKPJKH-JTQLQIEISA-N	-1	0	314.363	0.470	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC	ZINC001212338448	751587971	/nfs/dbraw/zinc/58/79/71/751587971.db2.gz	LEWBBCVFVKROTI-GHMZBOCLSA-N	-1	0	323.397	0.428	20	30		DCEDRM
C[C@H]1CN(c2nccnc2C#N)CC[C@@H]1NC(=O)c1cn[nH]n1	ZINC001067446160	747518001	/nfs/dbraw/zinc/51/80/01/747518001.db2.gz	PKCKZSWLMZYIOD-UWVGGRQHSA-N	-1	0	312.337	0.111	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c(C)occc1=O	ZINC001227241610	749200391	/nfs/dbraw/zinc/20/03/91/749200391.db2.gz	DSQYTCXTYAUBOE-JTQLQIEISA-N	-1	0	304.320	0.786	20	30		DCEDRM
N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)c3ccccc3O)C2)n1	ZINC001059554785	749321702	/nfs/dbraw/zinc/32/17/02/749321702.db2.gz	XVXYYMMVDBQEBS-PHIMTYICSA-N	-1	0	309.329	0.849	20	30		DCEDRM
CCOC(=O)[C@H](C#C[Si](C)(C)C)OCC[P@@](=O)([O-])O	ZINC001224600847	750146286	/nfs/dbraw/zinc/14/62/86/750146286.db2.gz	ACKFXMOVXPPDNI-JTQLQIEISA-N	-1	0	308.343	0.993	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(C#N)nn2)c1[O-]	ZINC001112990691	762074173	/nfs/dbraw/zinc/07/41/73/762074173.db2.gz	JQAIAQZMRDMNKO-YUMQZZPRSA-N	-1	0	315.337	0.704	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)Nc2ccncc2C#N)c1[O-]	ZINC001112990519	762074503	/nfs/dbraw/zinc/07/45/03/762074503.db2.gz	GZPJNITVQWIOBL-RKDXNWHRSA-N	-1	0	314.349	0.731	20	30		DCEDRM
C=C(C)CN1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1	ZINC001113041881	762109444	/nfs/dbraw/zinc/10/94/44/762109444.db2.gz	HAFUSJNXVDPNLU-UHFFFAOYSA-N	-1	0	309.370	0.190	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2cnn(-c3ccccc3)n2)c1=O	ZINC000916544318	751334787	/nfs/dbraw/zinc/33/47/87/751334787.db2.gz	GQLWATNXNFLGSK-UHFFFAOYSA-N	-1	0	313.346	0.698	20	30		DCEDRM
C=CC[C@H](NC(=O)CNS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC001116906520	753260191	/nfs/dbraw/zinc/26/01/91/753260191.db2.gz	LRUYAWXNMIESEL-QMMMGPOBSA-N	-1	0	318.376	0.172	20	30		DCEDRM
C=CCCC(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1	ZINC001062685551	754880783	/nfs/dbraw/zinc/88/07/83/754880783.db2.gz	FEDVRSUHQGDPKT-UHFFFAOYSA-N	-1	0	321.337	0.018	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001049371117	755239091	/nfs/dbraw/zinc/23/90/91/755239091.db2.gz	DWFFEVPDHILFNB-OUAUKWLOSA-N	-1	0	304.354	0.235	20	30		DCEDRM
C=CC[C@@H](Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)C(=O)OC	ZINC001169841343	760882623	/nfs/dbraw/zinc/88/26/23/760882623.db2.gz	JTTHUJKYJZUEQW-SNVBAGLBSA-N	-1	0	310.331	0.648	20	30		DCEDRM
CNC(=O)c1cnc([N-]c2c(C#N)cnn2C(=O)OC)nc1	ZINC001169962182	760941828	/nfs/dbraw/zinc/94/18/28/760941828.db2.gz	KGORTFYBPYLGSS-UHFFFAOYSA-N	-1	0	301.266	0.262	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)c2cnc(C#N)cn2)c1[O-]	ZINC001108900254	761128369	/nfs/dbraw/zinc/12/83/69/761128369.db2.gz	BSTCIDKKYUOFRA-QMMMGPOBSA-N	-1	0	315.337	0.340	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)c2nccnc2C#N)c1[O-]	ZINC001108900841	761128549	/nfs/dbraw/zinc/12/85/49/761128549.db2.gz	CHWJCLNYQKSGKM-QMMMGPOBSA-N	-1	0	315.337	0.340	20	30		DCEDRM
N#C[C@@H]1C[C@H](F)CN1C(=O)c1cc(S(=O)(=O)[O-])ccc1O	ZINC001148926497	768061792	/nfs/dbraw/zinc/06/17/92/768061792.db2.gz	OPTSRFMOPYLURV-YUMQZZPRSA-N	-1	0	314.294	0.715	20	30		DCEDRM
C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001132029735	764210673	/nfs/dbraw/zinc/21/06/73/764210673.db2.gz	PDCNGLFYPGYFGA-RYUDHWBXSA-N	-1	0	321.381	0.019	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1Nc1nccnc1CC(=O)[O-]	ZINC001158972076	765129469	/nfs/dbraw/zinc/12/94/69/765129469.db2.gz	XVIJSLNDKOBFSZ-UHFFFAOYSA-N	-1	0	302.250	0.530	20	30		DCEDRM
O=C(C#CC1CC1)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001111740549	765375820	/nfs/dbraw/zinc/37/58/20/765375820.db2.gz	BYSLHOVGURXBMY-LRDDRELGSA-N	-1	0	315.377	0.394	20	30		DCEDRM
C=C[C@@H]1C[C@]1(Nc1nccc(C)n1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170746947	765477653	/nfs/dbraw/zinc/47/76/53/765477653.db2.gz	HLICKDUXUBFHBB-QMTHXVAHSA-N	-1	0	322.390	0.750	20	30		DCEDRM
CCO[N-]C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC001116717027	765900891	/nfs/dbraw/zinc/90/08/91/765900891.db2.gz	JCFOUJYCTXQKGR-UHFFFAOYSA-N	-1	0	314.305	0.454	20	30		DCEDRM
C[C@H](Oc1cccc(C=Nn2c(=O)cn[nH]c2=S)c1)C(=O)[O-]	ZINC001116796380	765911658	/nfs/dbraw/zinc/91/16/58/765911658.db2.gz	ZTABBLZIRCHHKJ-QMMMGPOBSA-N	-1	0	320.330	0.661	20	30		DCEDRM
C[C@H](C[C@H](C)NC(=O)c1c[n-]n2c1nccc2=O)NCC#N	ZINC001135648572	766018267	/nfs/dbraw/zinc/01/82/67/766018267.db2.gz	MMTKXRPNIGYBMZ-ZJUUUORDSA-N	-1	0	302.338	0.033	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(=O)cc(C)o1	ZINC001230898739	768903160	/nfs/dbraw/zinc/90/31/60/768903160.db2.gz	TWRGQSSRPSGJFF-LLVKDONJSA-N	-1	0	304.320	0.786	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCNc2cc(C)ncc2C#N)c1[O-]	ZINC001094390859	769026746	/nfs/dbraw/zinc/02/67/46/769026746.db2.gz	NROAPMFVESUCMP-UHFFFAOYSA-N	-1	0	314.349	0.653	20	30		DCEDRM
N#Cc1c(N)nc(=NC2CC2)n(-c2ccc(C(=O)[O-])s2)c1N	ZINC001174804756	769808888	/nfs/dbraw/zinc/80/88/88/769808888.db2.gz	BOUOQLPVQUSQNX-UHFFFAOYSA-N	-1	0	316.346	0.731	20	30		DCEDRM
C=CCCC(=O)N1CC[C@@H]2OCCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1	ZINC001176955429	770254931	/nfs/dbraw/zinc/25/49/31/770254931.db2.gz	SXGRIJCAOPWUOR-RYUDHWBXSA-N	-1	0	321.381	0.278	20	30		DCEDRM
CC(C)(NC(=O)Cn1nn[n-]c1=S)c1ccc(C#N)cc1	ZINC001177742802	770541495	/nfs/dbraw/zinc/54/14/95/770541495.db2.gz	GLVOLOPRWRQAPB-UHFFFAOYSA-N	-1	0	302.363	0.885	20	30		DCEDRM
N#Cc1ccc2c(c1)n[nH]c2C(=O)N(O)C(=N)c1nonc1N	ZINC001156877001	770950408	/nfs/dbraw/zinc/95/04/08/770950408.db2.gz	ZZRDKWLCLZVFNV-UHFFFAOYSA-N	-1	0	312.249	0.257	20	30		DCEDRM
N#Cc1ccc(OCC(=O)Nc2c(N)[nH]c(=O)[nH]c2=O)cc1	ZINC001182914551	771575196	/nfs/dbraw/zinc/57/51/96/771575196.db2.gz	TZBXKVIKWKXUHT-UHFFFAOYSA-N	-1	0	301.262	0.359	20	30		DCEDRM
C[C@]1(O)C=C[C@H](O)C(C(=O)Nc2cc(C#N)c(F)cc2[O-])=C1	ZINC001183542570	771659840	/nfs/dbraw/zinc/65/98/40/771659840.db2.gz	RSBNQIRJDSFGLE-WFASDCNBSA-N	-1	0	304.277	0.950	20	30		DCEDRM
COC(=O)[C@@H]1CN(C)CCN1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244733	771763462	/nfs/dbraw/zinc/76/34/62/771763462.db2.gz	YBIXHHBSQCTYBB-ZDUSSCGKSA-N	-1	0	305.354	0.352	20	30		DCEDRM
COc1ccc(S(=O)(=O)NCCCS)cc1C(=O)[O-]	ZINC001185331456	771906469	/nfs/dbraw/zinc/90/64/69/771906469.db2.gz	HJMCIQQCXOAZAV-UHFFFAOYSA-N	-1	0	305.377	0.992	20	30		DCEDRM
C#CCn1cc(CNC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)cn1	ZINC001161273538	772195437	/nfs/dbraw/zinc/19/54/37/772195437.db2.gz	YMSZTDUJASAGGZ-UHFFFAOYSA-N	-1	0	323.312	0.790	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001189242030	772441576	/nfs/dbraw/zinc/44/15/76/772441576.db2.gz	CWGYWVSCVREORP-NEPJUHHUSA-N	-1	0	323.397	0.524	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2c(F)cc([N+](=O)[O-])cc2F)c1=O	ZINC001189567115	772499152	/nfs/dbraw/zinc/49/91/52/772499152.db2.gz	NAXHWFSUTZOUDP-UHFFFAOYSA-N	-1	0	308.200	0.643	20	30		DCEDRM
N#Cc1ccnc(N2CCN(S(=O)(=O)c3ncc[n-]3)CC2)c1	ZINC001190707577	772659986	/nfs/dbraw/zinc/65/99/86/772659986.db2.gz	LKJQTIMVCDPYPC-UHFFFAOYSA-N	-1	0	318.362	0.187	20	30		DCEDRM
CSc1[nH]nc(NC(=O)c2ccnc(C#N)c2)c1C(N)=O	ZINC001191539948	772782746	/nfs/dbraw/zinc/78/27/46/772782746.db2.gz	JFBNKJCISONUAY-UHFFFAOYSA-N	-1	0	302.319	0.749	20	30		DCEDRM
N#C[C@H]1COCCN1C(=O)c1nc(Br)ccc1[O-]	ZINC001191742395	772819877	/nfs/dbraw/zinc/81/98/77/772819877.db2.gz	OERBWKZYMIPGFP-ZETCQYMHSA-N	-1	0	312.123	0.914	20	30		DCEDRM
N#C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1F)C(N)=O	ZINC001191922281	772842860	/nfs/dbraw/zinc/84/28/60/772842860.db2.gz	SSWUIFYWPSIQJY-VIFPVBQESA-N	-1	0	305.718	0.276	20	30		DCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1c(C#N)cnn1-c1ccccn1	ZINC001193105671	773006225	/nfs/dbraw/zinc/00/62/25/773006225.db2.gz	ZQUUXIYPDCZFGQ-SECBINFHSA-N	-1	0	302.319	0.793	20	30		DCEDRM
N#Cc1cccc(-c2cc(C(=O)NCc3n[nH]c(=O)[n-]3)no2)c1	ZINC001196772504	773651095	/nfs/dbraw/zinc/65/10/95/773651095.db2.gz	ZVAZQZXRTOEZAX-UHFFFAOYSA-N	-1	0	310.273	0.967	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001211229839	773783215	/nfs/dbraw/zinc/78/32/15/773783215.db2.gz	GJFHKECYMJIIJP-UHFFFAOYSA-N	-1	0	300.292	0.229	20	30		DCEDRM
Cn1cncc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001213465756	773850730	/nfs/dbraw/zinc/85/07/30/773850730.db2.gz	QMBIAFBKBNKEJH-UHFFFAOYSA-N	-1	0	321.318	0.678	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCCN(C)c2ccc(C#N)cn2)c1[O-]	ZINC001095513938	775196018	/nfs/dbraw/zinc/19/60/18/775196018.db2.gz	SYPIZNHISCHHLO-UHFFFAOYSA-N	-1	0	314.349	0.947	20	30		DCEDRM
C=CCCCCO[C@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001224336127	775560810	/nfs/dbraw/zinc/56/08/10/775560810.db2.gz	BFMQAIOLQVNICS-CYBMUJFWSA-N	-1	0	307.412	0.948	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(C(N)=O)cc1	ZINC001225298087	775662641	/nfs/dbraw/zinc/66/26/41/775662641.db2.gz	FVJMVQKQOWWPJN-LBPRGKRZSA-N	-1	0	315.347	0.623	20	30		DCEDRM
COc1c(Cl)cnc(OC(=O)[C@@H](O)CC(=O)[O-])c1C#N	ZINC001227558814	775983603	/nfs/dbraw/zinc/98/36/03/775983603.db2.gz	FQBDIZJQDUIQRE-ZETCQYMHSA-N	-1	0	300.654	0.356	20	30		DCEDRM
C#C[C@@H](Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-])C(=O)OCC	ZINC001227627207	775990988	/nfs/dbraw/zinc/99/09/88/775990988.db2.gz	DJLIIBWUJOAGDL-ZCFIWIBFSA-N	-1	0	313.291	0.756	20	30		DCEDRM
Cc1nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)N3C)c([N+](=O)[O-])c(=O)[n-]1	ZINC001229381699	776186277	/nfs/dbraw/zinc/18/62/77/776186277.db2.gz	ONMOTWLZSUNCCB-ZTEPNEHBSA-N	-1	0	308.294	0.390	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](Oc2ncnc(=O)[n-]2)[C@H](C#N)C1	ZINC001229605269	776204917	/nfs/dbraw/zinc/20/49/17/776204917.db2.gz	BTCSXELJXPDHRT-BDAKNGLRSA-N	-1	0	307.310	0.715	20	30		DCEDRM
C=CCOCC(=O)N(C)CCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001066999215	776600034	/nfs/dbraw/zinc/60/00/34/776600034.db2.gz	RTGBZDFFDUAQRP-UHFFFAOYSA-N	-1	0	324.381	0.547	20	30		DCEDRM
Cc1oc(C(=O)[O-])cc1C(=O)N1CCN(C(=O)CC#N)CC1	ZINC001600824757	1168477049	/nfs/dbraw/zinc/47/70/49/1168477049.db2.gz	YBSDIAUGQFSVRR-UHFFFAOYSA-N	-1	0	305.290	0.484	20	30		DCEDRM
N#CC1(NC(=O)CN2CCC[C@@H](O)[C@H]2C(=O)[O-])CCCCC1	ZINC001601056946	1168578207	/nfs/dbraw/zinc/57/82/07/1168578207.db2.gz	FWPXBTHECZLWDV-YPMHNXCESA-N	-1	0	309.366	0.239	20	30		DCEDRM
O=C([O-])CCCS(=O)(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC001601998507	1168955395	/nfs/dbraw/zinc/95/53/95/1168955395.db2.gz	KLKIKMCEKFYTSR-UHFFFAOYSA-N	-1	0	317.363	0.519	20	30		DCEDRM
C=CCOCC(=O)N(C)[C@@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001602906240	1169202032	/nfs/dbraw/zinc/20/20/32/1169202032.db2.gz	CANAMMFEUDHBNJ-JTQLQIEISA-N	-1	0	308.338	0.058	20	30		DCEDRM
C#CCN1CC[C@]2(CCN(C(=O)c3cc([O-])[nH]c(=O)c3)C2)C1=O	ZINC001269381112	940695931	/nfs/dbraw/zinc/69/59/31/940695931.db2.gz	GHJGZEPZKQPEPV-MRXNPFEDSA-N	-1	0	315.329	0.191	20	30		DCEDRM
C=CCN1C[C@@]2(CCN(C(=O)c3ccncc3[O-])C2)OCC1=O	ZINC001271402850	941367905	/nfs/dbraw/zinc/36/79/05/941367905.db2.gz	QLCSUXCKSLEACG-MRXNPFEDSA-N	-1	0	317.345	0.417	20	30		DCEDRM
C#CCNC(=O)[C@H]1CC12CCN(C(=O)c1cnc[nH]c1=O)CC2	ZINC001271630423	941413401	/nfs/dbraw/zinc/41/34/01/941413401.db2.gz	NQHUIUWSENUPOE-GFCCVEGCSA-N	-1	0	314.345	0.174	20	30		DCEDRM
C[C@H]1CC[C@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001412917812	942136417	/nfs/dbraw/zinc/13/64/17/942136417.db2.gz	QRNWKGXTEKEKKR-QWRGUYRKSA-N	-1	0	304.350	0.763	20	30		DCEDRM
N#Cc1cncc(NC[C@@H](O)CNC(=O)c2ccccc2O)n1	ZINC001105756688	942538754	/nfs/dbraw/zinc/53/87/54/942538754.db2.gz	YJLIYUIFHACDDK-LLVKDONJSA-N	-1	0	313.317	0.257	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1F	ZINC001601112167	970935049	/nfs/dbraw/zinc/93/50/49/970935049.db2.gz	QEIOJFPPEGYWAA-NSHDSACASA-N	-1	0	314.294	0.171	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@]1(C)CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001484159209	943169979	/nfs/dbraw/zinc/16/99/79/943169979.db2.gz	PXGCJFNGENAYBU-INIZCTEOSA-N	-1	0	319.409	0.888	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)c1[O-]	ZINC001056611311	943340287	/nfs/dbraw/zinc/34/02/87/943340287.db2.gz	MECWGCNMHHUCRR-SECBINFHSA-N	-1	0	313.321	0.412	20	30		DCEDRM
C#CCN1CC2(CN(Cc3ccc(C(=O)[O-])o3)C2)OCC1=O	ZINC001272757587	944215376	/nfs/dbraw/zinc/21/53/76/944215376.db2.gz	BFBOHGFJEACUBA-UHFFFAOYSA-N	-1	0	304.302	0.024	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCn3c(C(N)=O)cnc3C2)c([O-])c1	ZINC001276865117	944333601	/nfs/dbraw/zinc/33/36/01/944333601.db2.gz	RDVXWAZNBAKVBM-UHFFFAOYSA-N	-1	0	311.301	0.215	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001317368550	944940985	/nfs/dbraw/zinc/94/09/85/944940985.db2.gz	ABRYNLQZZIQDFJ-LLVKDONJSA-N	-1	0	309.370	0.136	20	30		DCEDRM
C#CCN1C(=O)COCC12CN(Cc1ccccc1C(=O)[O-])C2	ZINC001273171297	945603369	/nfs/dbraw/zinc/60/33/69/945603369.db2.gz	DFGUZVOUWHSSMO-UHFFFAOYSA-N	-1	0	314.341	0.431	20	30		DCEDRM
N#CCNC1(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)CCC1	ZINC001273180994	945683920	/nfs/dbraw/zinc/68/39/20/945683920.db2.gz	XLEYUKAEHYDXRG-UHFFFAOYSA-N	-1	0	301.306	0.694	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)[N-]OC1CCOCC1	ZINC001320690466	945982050	/nfs/dbraw/zinc/98/20/50/945982050.db2.gz	HMQZXHDKWCLUOV-UHFFFAOYSA-N	-1	0	319.317	0.732	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1csc(S(C)(=O)=O)c1)C(=O)[O-]	ZINC001321657070	946417108	/nfs/dbraw/zinc/41/71/08/946417108.db2.gz	BMVSDTDPGRFGCC-MRVPVSSYSA-N	-1	0	303.361	0.911	20	30		DCEDRM
C=C/C=C/CCNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001254872380	946443651	/nfs/dbraw/zinc/44/36/51/946443651.db2.gz	UNARFKLZALBEBU-ONEGZZNKSA-N	-1	0	315.333	0.519	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1)C(C)(C)C	ZINC001602671723	971235091	/nfs/dbraw/zinc/23/50/91/971235091.db2.gz	FLORIEKPKQOFQO-NSHDSACASA-N	-1	0	303.318	0.882	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1ccccc1	ZINC001602671728	971235208	/nfs/dbraw/zinc/23/52/08/971235208.db2.gz	FNTDPRTYQYOBCV-OLZOCXBDSA-N	-1	0	308.359	0.744	20	30		DCEDRM
Cn1cc(C[C@@H](NS(=O)(=O)CCCCC#N)C(=O)[O-])cn1	ZINC001255243353	946481163	/nfs/dbraw/zinc/48/11/63/946481163.db2.gz	PKQFDBONMAZNNW-LLVKDONJSA-N	-1	0	314.367	0.029	20	30		DCEDRM
C[C@H](Oc1ccc(C=Nn2c(=O)cn[nH]c2=S)cc1)C(=O)[O-]	ZINC001322038557	946555664	/nfs/dbraw/zinc/55/56/64/946555664.db2.gz	BCRYLBQVLRLXPJ-QMMMGPOBSA-N	-1	0	320.330	0.661	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-]	ZINC001256551948	946640593	/nfs/dbraw/zinc/64/05/93/946640593.db2.gz	YKPQWRKWVFFZJF-DGCLKSJQSA-N	-1	0	317.345	0.576	20	30		DCEDRM
C=CC[C@@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)c1ccncc1	ZINC001322673286	946766515	/nfs/dbraw/zinc/76/65/15/946766515.db2.gz	WJNAWHIVYWTECZ-TZMCWYRMSA-N	-1	0	319.361	0.899	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2cnc(N3CCCC3)nc2)c1=O	ZINC001322697414	946774458	/nfs/dbraw/zinc/77/44/58/946774458.db2.gz	UCEBBWBWHPFRFX-UHFFFAOYSA-N	-1	0	317.378	0.508	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]([C@@H]1CCOC1)C(F)(F)F	ZINC001602684089	971278778	/nfs/dbraw/zinc/27/87/78/971278778.db2.gz	QCMJHJALNVQTLI-SCZZXKLOSA-N	-1	0	308.256	0.683	20	30		DCEDRM
Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C(N)=O	ZINC001258035945	946792036	/nfs/dbraw/zinc/79/20/36/946792036.db2.gz	LPZNIOVUUTZOFJ-UHFFFAOYSA-N	-1	0	319.346	0.500	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1	ZINC001602691658	971297957	/nfs/dbraw/zinc/29/79/57/971297957.db2.gz	RDIKPMBXIMVFFI-HUUCEWRRSA-N	-1	0	303.314	0.690	20	30		DCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC001259255874	946931774	/nfs/dbraw/zinc/93/17/74/946931774.db2.gz	KNBWNAAXURIUGT-NSHDSACASA-N	-1	0	300.311	0.700	20	30		DCEDRM
Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(C#N)n1	ZINC001259844421	946999905	/nfs/dbraw/zinc/99/99/05/946999905.db2.gz	RAGQBMMTHIBPHS-UHFFFAOYSA-N	-1	0	306.303	0.821	20	30		DCEDRM
C=CCS(=O)(=O)N1CCC(NC(=O)C(F)(F)F)CC1	ZINC001259927563	947024820	/nfs/dbraw/zinc/02/48/20/947024820.db2.gz	LZCUUKOSQLOKBD-UHFFFAOYSA-N	-1	0	300.302	0.645	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2c[nH]c3cccnc32)n1C	ZINC001602699126	971316056	/nfs/dbraw/zinc/31/60/56/971316056.db2.gz	JBPNCMPBMBJYMF-UHFFFAOYSA-N	-1	0	310.317	0.883	20	30		DCEDRM
N#CCCCC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260178878	947079850	/nfs/dbraw/zinc/07/98/50/947079850.db2.gz	SAIAEVIYTLLNHV-UHFFFAOYSA-N	-1	0	314.758	0.750	20	30		DCEDRM
N#Cc1cc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccn1	ZINC001260392543	947098944	/nfs/dbraw/zinc/09/89/44/947098944.db2.gz	FFQMUASAAFEWLW-UHFFFAOYSA-N	-1	0	319.298	0.580	20	30		DCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2cccc3nonc32)cn1	ZINC001260435042	947102310	/nfs/dbraw/zinc/10/23/10/947102310.db2.gz	OFHJDJHHTVMNOQ-UHFFFAOYSA-N	-1	0	302.275	0.685	20	30		DCEDRM
C#CCN1CCC[C@H]1c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C	ZINC001602702181	971330034	/nfs/dbraw/zinc/33/00/34/971330034.db2.gz	KTEXENYMJDCUGY-NEPJUHHUSA-N	-1	0	303.366	0.496	20	30		DCEDRM
COc1ccc([N-]S(=O)(=O)CS(C)(=O)=O)c(C#N)c1	ZINC001260591136	947119628	/nfs/dbraw/zinc/11/96/28/947119628.db2.gz	WKPFHHAQRLUSHO-UHFFFAOYSA-N	-1	0	304.349	0.311	20	30		DCEDRM
C#C[C@H]1CC[C@H](n2nnnc2N2CCO[C@H](C(=O)[O-])C2)CC1	ZINC001602704834	971338002	/nfs/dbraw/zinc/33/80/02/971338002.db2.gz	WRBOQKOPRFWIFU-SRVKXCTJSA-N	-1	0	305.338	0.327	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)N[C@H]1CCc2cc(C#N)ccc21	ZINC001261116968	947187022	/nfs/dbraw/zinc/18/70/22/947187022.db2.gz	MTLLIMLRVZHOQZ-AWEZNQCLSA-N	-1	0	317.345	0.746	20	30		DCEDRM
C=C(C)Cn1c(COC)nnc1N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001602712698	971358441	/nfs/dbraw/zinc/35/84/41/971358441.db2.gz	ZKKIFNFCAZRUPO-OAHLLOKOSA-N	-1	0	324.381	0.928	20	30		DCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC001324717448	947511820	/nfs/dbraw/zinc/51/18/20/947511820.db2.gz	AJWPDGDEUZWGLP-UHFFFAOYSA-N	-1	0	301.349	0.346	20	30		DCEDRM
C=CCNC(=O)[C@H](C)OC(=O)C1(C(=O)[O-])CCSCC1	ZINC001602723117	971393195	/nfs/dbraw/zinc/39/31/95/971393195.db2.gz	NCPJVVRATONZGS-VIFPVBQESA-N	-1	0	301.364	0.818	20	30		DCEDRM
C=CCN1CC[C@H](OC(=O)C2(CC(=O)[O-])CCOCC2)C1=O	ZINC001602723057	971393344	/nfs/dbraw/zinc/39/33/44/971393344.db2.gz	JOSUITIVDPIVLA-NSHDSACASA-N	-1	0	311.334	0.588	20	30		DCEDRM
C=CCn1c(-c2ccnn2C)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602730134	971405900	/nfs/dbraw/zinc/40/59/00/971405900.db2.gz	UUXNNKABAMZNQY-SNVBAGLBSA-N	-1	0	302.338	0.776	20	30		DCEDRM
C=CC[C@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C(=O)OCC	ZINC001262337175	947660281	/nfs/dbraw/zinc/66/02/81/947660281.db2.gz	GVHLLQMYRUZJHI-ZDUSSCGKSA-N	-1	0	323.393	0.999	20	30		DCEDRM
CO[C@@H]1CCn2cc(C([O-])=C(C#N)C(=O)NC3CC3)nc2C1	ZINC001263296384	947828235	/nfs/dbraw/zinc/82/82/35/947828235.db2.gz	CZOLYWWBMUGEJP-GHMZBOCLSA-N	-1	0	302.334	0.445	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)C(=O)[N-]OCCOCC	ZINC001326539878	948192930	/nfs/dbraw/zinc/19/29/30/948192930.db2.gz	OBZBGZGAYBDQNS-UHFFFAOYSA-N	-1	0	320.345	0.399	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C	ZINC001488129565	948559674	/nfs/dbraw/zinc/55/96/74/948559674.db2.gz	MXQQQAJDNYMBIL-VXGBXAGGSA-N	-1	0	318.377	0.946	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@]2(C)CCCOC2)n1	ZINC001264028187	948836691	/nfs/dbraw/zinc/83/66/91/948836691.db2.gz	MWENUNAZPGVSKP-INIZCTEOSA-N	-1	0	318.377	0.338	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CC2(CO1)CCOCC2	ZINC001602780470	971518808	/nfs/dbraw/zinc/51/88/08/971518808.db2.gz	HGLLRHLWBORNTC-RISCZKNCSA-N	-1	0	310.350	0.693	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN2CC(F)(F)C[C@H]2C1	ZINC001602780760	971520723	/nfs/dbraw/zinc/52/07/23/971520723.db2.gz	NALAATGKSYGCFG-CABZTGNLSA-N	-1	0	301.293	0.543	20	30		DCEDRM
N#CCCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC000388554328	949000263	/nfs/dbraw/zinc/00/02/63/949000263.db2.gz	XCUVINBTSASRQV-UHFFFAOYSA-N	-1	0	323.374	0.605	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)C(=O)[O-]	ZINC001329113017	949364616	/nfs/dbraw/zinc/36/46/16/949364616.db2.gz	HXBZXCCEVUXXMU-VIFPVBQESA-N	-1	0	301.302	0.284	20	30		DCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H](OC)[C@H](C)CC)n1	ZINC001489076475	949466478	/nfs/dbraw/zinc/46/64/78/949466478.db2.gz	MKQUWOXQNGFPHM-ABAIWWIYSA-N	-1	0	320.393	0.582	20	30		DCEDRM
COc1ccnc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1F	ZINC001364583438	949592740	/nfs/dbraw/zinc/59/27/40/949592740.db2.gz	JMGBEDIWKBMIFM-UHFFFAOYSA-N	-1	0	305.269	0.100	20	30		DCEDRM
Cc1noc(C(C)C)c1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001364886766	950137182	/nfs/dbraw/zinc/13/71/82/950137182.db2.gz	KYNFEXKIVJEWMI-UHFFFAOYSA-N	-1	0	317.305	0.879	20	30		DCEDRM
C[C@H]1CC[C@H](CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001365148130	950607116	/nfs/dbraw/zinc/60/71/16/950607116.db2.gz	JDDVRVYNXVYWIE-QWRGUYRKSA-N	-1	0	319.365	0.556	20	30		DCEDRM
Cc1ccccc1[C@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365213733	950746568	/nfs/dbraw/zinc/74/65/68/950746568.db2.gz	CDRWYKUHHDCGGR-LBPRGKRZSA-N	-1	0	300.318	0.399	20	30		DCEDRM
O=C([O-])CC1(C(=O)NCCNC(=O)C2N=CC=CC2=O)CCC1	ZINC001594974073	950898718	/nfs/dbraw/zinc/89/87/18/950898718.db2.gz	LEDBOSDAANEMRE-OUKQBFOZSA-N	-1	0	321.333	0.274	20	30		DCEDRM
C=C(C)CCC(=O)N(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001280508873	950909238	/nfs/dbraw/zinc/90/92/38/950909238.db2.gz	FBFZGANPMBUDPB-VIFPVBQESA-N	-1	0	323.353	0.216	20	30		DCEDRM
CC[C@@](COC)([N-]S(=O)(=O)CC(C)(C)C#N)C(=O)OC	ZINC001365712171	951465718	/nfs/dbraw/zinc/46/57/18/951465718.db2.gz	UNMNQLQDQOYTDO-LBPRGKRZSA-N	-1	0	306.384	0.424	20	30		DCEDRM
O=C([O-])CN1CC[C@@H](N2CCC3(CC2)CC(=O)C=CO3)C1=O	ZINC001595073583	951614467	/nfs/dbraw/zinc/61/44/67/951614467.db2.gz	ARKQZAOPEHCCNG-GFCCVEGCSA-N	-1	0	308.334	0.010	20	30		DCEDRM
CN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001274662092	951774395	/nfs/dbraw/zinc/77/43/95/951774395.db2.gz	VNXYIYUBTKTQPP-CXAGYDPISA-N	-1	0	301.366	0.973	20	30		DCEDRM
CN(CCOCCNCC#N)C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001333266675	951980090	/nfs/dbraw/zinc/98/00/90/951980090.db2.gz	FRZGNWFLGYTNEN-UHFFFAOYSA-N	-1	0	319.321	0.130	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1nc(Cl)cs1	ZINC001333650950	952124775	/nfs/dbraw/zinc/12/47/75/952124775.db2.gz	RUVYHNCTKMOSMS-UHFFFAOYSA-N	-1	0	310.809	0.968	20	30		DCEDRM
Cc1ccc(CN(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001411614213	952326059	/nfs/dbraw/zinc/32/60/59/952326059.db2.gz	ZGJANRGSCXLZPV-UHFFFAOYSA-N	-1	0	302.290	0.381	20	30		DCEDRM
COc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c(C)n1	ZINC001411896703	952521945	/nfs/dbraw/zinc/52/19/45/952521945.db2.gz	BXFNEBJUAKGIMU-UHFFFAOYSA-N	-1	0	315.289	0.171	20	30		DCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001337191086	952825395	/nfs/dbraw/zinc/82/53/95/952825395.db2.gz	NVMKWRGJNRGBJC-ABAIWWIYSA-N	-1	0	312.366	0.407	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC(F)(F)Br)c(C#N)c1=O	ZINC001337219740	952829498	/nfs/dbraw/zinc/82/94/98/952829498.db2.gz	GBHFBUURHZGISH-UHFFFAOYSA-N	-1	0	309.070	0.345	20	30		DCEDRM
N#Cc1cccc(C(=O)N2CC3(C2)CC[C@@H](C(N)=O)O3)c1[O-]	ZINC001276216009	953013005	/nfs/dbraw/zinc/01/30/05/953013005.db2.gz	VLEHESPFAOBABW-NSHDSACASA-N	-1	0	301.302	0.123	20	30		DCEDRM
C[C@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)c1cccc(C#N)c1	ZINC001338590782	953033512	/nfs/dbraw/zinc/03/35/12/953033512.db2.gz	CMADCGRRBXMVAT-AAEUAGOBSA-N	-1	0	317.345	0.820	20	30		DCEDRM
C[C@H](C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)[C@@H]1CCCO1	ZINC001412791626	953094691	/nfs/dbraw/zinc/09/46/91/953094691.db2.gz	CCYNONPSUYDXJT-CABZTGNLSA-N	-1	0	318.333	0.019	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC=C(CNC(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC001339591624	953105077	/nfs/dbraw/zinc/10/50/77/953105077.db2.gz	YTYMOJAAUWOJGM-VIFPVBQESA-N	-1	0	317.349	0.472	20	30		DCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N(C)[C@H]1CC[C@H]1OC	ZINC001340358835	953164064	/nfs/dbraw/zinc/16/40/64/953164064.db2.gz	MOALNEFDLBNAKR-WDEREUQCSA-N	-1	0	318.385	0.376	20	30		DCEDRM
C#CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CCc1ccccc1	ZINC001340950781	953204610	/nfs/dbraw/zinc/20/46/10/953204610.db2.gz	HGABDTXTKVRVGO-UHFFFAOYSA-N	-1	0	322.372	0.814	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](C)[C@H](F)C1	ZINC001342241708	953278458	/nfs/dbraw/zinc/27/84/58/953278458.db2.gz	RWAMMPIVVTYYPM-VHSXEESVSA-N	-1	0	306.345	0.872	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@H](CCC)C1	ZINC001342241164	953278493	/nfs/dbraw/zinc/27/84/93/953278493.db2.gz	MLCYYKFMBYDHHD-LLVKDONJSA-N	-1	0	318.381	0.693	20	30		DCEDRM
CCC(=O)N1CC[C@H](C(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC001342557485	953295135	/nfs/dbraw/zinc/29/51/35/953295135.db2.gz	IBDUMSGMSHWYQP-QWRGUYRKSA-N	-1	0	302.334	0.570	20	30		DCEDRM
COC(=O)c1cnc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1	ZINC001342582558	953296589	/nfs/dbraw/zinc/29/65/89/953296589.db2.gz	CPJNBXKTPVWSNU-SECBINFHSA-N	-1	0	302.290	0.208	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCCN1C(=O)CCC1=O	ZINC001344007160	953404175	/nfs/dbraw/zinc/40/41/75/953404175.db2.gz	XTKFBDIOPBVVAW-JTQLQIEISA-N	-1	0	316.317	0.241	20	30		DCEDRM
CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001593600266	953405823	/nfs/dbraw/zinc/40/58/23/953405823.db2.gz	ZGHHVNCTYVPXSE-DGCLKSJQSA-N	-1	0	315.329	0.891	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cn2c(n1)COCC2	ZINC001346121473	953803626	/nfs/dbraw/zinc/80/36/26/953803626.db2.gz	BKPGKOXLHPVYLN-LLVKDONJSA-N	-1	0	320.349	0.279	20	30		DCEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001589315143	953829197	/nfs/dbraw/zinc/82/91/97/953829197.db2.gz	YTUHPBOHRSPYTB-BFQNTYOBSA-N	-1	0	321.377	0.898	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1nnn(C(C)(C)C)n1	ZINC001347230074	954052359	/nfs/dbraw/zinc/05/23/59/954052359.db2.gz	DAQHYLFQKVUCEP-SECBINFHSA-N	-1	0	315.337	0.296	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC001347567554	954122773	/nfs/dbraw/zinc/12/27/73/954122773.db2.gz	NJNVZWBWVRZLJH-XQQFMLRXSA-N	-1	0	312.366	0.168	20	30		DCEDRM
C[C@@H]1CS(=O)(=O)CCCN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589408179	954484141	/nfs/dbraw/zinc/48/41/41/954484141.db2.gz	ALUVXDKPPHEWMS-BXKDBHETSA-N	-1	0	302.352	0.027	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)cc1	ZINC000386452015	972055180	/nfs/dbraw/zinc/05/51/80/972055180.db2.gz	MBCIXJSBVDHXRJ-UHFFFAOYSA-N	-1	0	324.358	0.353	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001350314533	955057348	/nfs/dbraw/zinc/05/73/48/955057348.db2.gz	YYEOPLDGBGLCJK-GFCCVEGCSA-N	-1	0	318.395	0.082	20	30		DCEDRM
CC[C@@H](CNC(=O)C(=O)N1Cc2ccc(C#N)cc2C1)C(=O)[O-]	ZINC001589518684	955080788	/nfs/dbraw/zinc/08/07/88/955080788.db2.gz	NENVUZAGXDYQKK-NSHDSACASA-N	-1	0	315.329	0.627	20	30		DCEDRM
C#CCCCC(=O)N[C@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001284426488	955082787	/nfs/dbraw/zinc/08/27/87/955082787.db2.gz	KHPHEJBXECAFKB-SNVBAGLBSA-N	-1	0	306.366	0.852	20	30		DCEDRM
O=C([O-])C1(CNC(=O)CCNC(=O)C2N=CC=CC2=O)CCC1	ZINC001350424217	955093178	/nfs/dbraw/zinc/09/31/78/955093178.db2.gz	SKVBDPMOPGEWGW-SEYXRHQNSA-N	-1	0	321.333	0.274	20	30		DCEDRM
O=C([O-])[C@H]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000738717070	955251508	/nfs/dbraw/zinc/25/15/08/955251508.db2.gz	JRZIDMXCPYDHFQ-NJERVBSYSA-N	-1	0	321.333	0.226	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001284910495	955308056	/nfs/dbraw/zinc/30/80/56/955308056.db2.gz	YSSMEROBRLIZBI-OAHLLOKOSA-N	-1	0	321.381	0.086	20	30		DCEDRM
Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)NCCCC#N)C2)cn1	ZINC001594539173	955614986	/nfs/dbraw/zinc/61/49/86/955614986.db2.gz	HVRJNATYQHDENY-VXGBXAGGSA-N	-1	0	319.365	0.924	20	30		DCEDRM
Cn1cc(N2CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C2)cn1	ZINC001594545761	955683207	/nfs/dbraw/zinc/68/32/07/955683207.db2.gz	HPJZAVHXDLCIQP-YGRLFVJLSA-N	-1	0	305.338	0.120	20	30		DCEDRM
Cn1ccnc1[C@@H]1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC001594556324	955764130	/nfs/dbraw/zinc/76/41/30/955764130.db2.gz	ZMDFHCOLUFTLKC-ZETOZRRWSA-N	-1	0	320.349	0.761	20	30		DCEDRM
N#C[C@]1(C(=O)NCCOCCOCC(=O)[O-])CC12CCCC2	ZINC001594601895	956140508	/nfs/dbraw/zinc/14/05/08/956140508.db2.gz	SBIJXTCZLUMOGB-HNNXBMFYSA-N	-1	0	310.350	0.694	20	30		DCEDRM
N#CCN1CCC(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1	ZINC001594609479	956192024	/nfs/dbraw/zinc/19/20/24/956192024.db2.gz	AMAHBUUOWGTNQL-CYBMUJFWSA-N	-1	0	308.382	0.774	20	30		DCEDRM
N#CC[C@@H]1CC[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	ZINC001594611267	956212610	/nfs/dbraw/zinc/21/26/10/956212610.db2.gz	LCSXCSDFNIFQAR-DCAQKATOSA-N	-1	0	301.368	0.452	20	30		DCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1	ZINC001594615713	956234514	/nfs/dbraw/zinc/23/45/14/956234514.db2.gz	GMBAOESOXVJRGM-NSHDSACASA-N	-1	0	314.294	0.171	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@H](c1cncn1C)N(C)C)C(=O)[O-]	ZINC001354072989	956273925	/nfs/dbraw/zinc/27/39/25/956273925.db2.gz	UQLVCYJLQCJDRQ-YPMHNXCESA-N	-1	0	308.382	0.949	20	30		DCEDRM
C[C@@](O)(CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)[O-]	ZINC001589144740	956282481	/nfs/dbraw/zinc/28/24/81/956282481.db2.gz	WDKUOXLAYMSOCM-OAHLLOKOSA-N	-1	0	314.301	0.309	20	30		DCEDRM
N#Cc1ccncc1N1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001594631678	956343975	/nfs/dbraw/zinc/34/39/75/956343975.db2.gz	KWTZXPHPSMUQLN-QWHCGFSZSA-N	-1	0	314.345	0.713	20	30		DCEDRM
N#Cc1ccccc1OCCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001594632354	956353428	/nfs/dbraw/zinc/35/34/28/956353428.db2.gz	WQSYDCOCLVUNGG-GFCCVEGCSA-N	-1	0	324.358	0.121	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CC(C)(C)CC#N)C1	ZINC001593968200	956584221	/nfs/dbraw/zinc/58/42/21/956584221.db2.gz	QJZNUXPYYWROBG-CYBMUJFWSA-N	-1	0	318.395	0.679	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCC2=CCCCC2)c(=O)[n-]c1=O	ZINC001290427030	956844929	/nfs/dbraw/zinc/84/49/29/956844929.db2.gz	SRAPSAFVILPVFG-UHFFFAOYSA-N	-1	0	302.334	0.827	20	30		DCEDRM
CCSCC[C@@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001294033994	957467768	/nfs/dbraw/zinc/46/77/68/957467768.db2.gz	KILVWJXRPAWZGD-SNVBAGLBSA-N	-1	0	324.406	0.859	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001294726147	957573976	/nfs/dbraw/zinc/57/39/76/957573976.db2.gz	CCUQPPQBOMZXGC-ZUZCIYMTSA-N	-1	0	322.365	0.082	20	30		DCEDRM
COCC[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccco1	ZINC001413886365	957692628	/nfs/dbraw/zinc/69/26/28/957692628.db2.gz	LYEWHAZQIZXOOJ-JTQLQIEISA-N	-1	0	304.306	0.728	20	30		DCEDRM
C[C@@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)[O-]	ZINC001603184558	972287916	/nfs/dbraw/zinc/28/79/16/972287916.db2.gz	DSFBMCSHWIAGIN-VIFPVBQESA-N	-1	0	314.305	0.981	20	30		DCEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001295580730	957757563	/nfs/dbraw/zinc/75/75/63/957757563.db2.gz	JLLVHNMGSIQEMO-BDAKNGLRSA-N	-1	0	323.353	0.120	20	30		DCEDRM
N#CCc1cccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC001361388024	957916227	/nfs/dbraw/zinc/91/62/27/957916227.db2.gz	JZKDCTAXEALFMW-UHFFFAOYSA-N	-1	0	308.301	0.776	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(C)cc(OC)c1C	ZINC001588394450	958034862	/nfs/dbraw/zinc/03/48/62/958034862.db2.gz	DAYVLJWIXAFSND-UHFFFAOYSA-N	-1	0	318.329	0.797	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NCCc2n[n-]c(=S)o2)nc1	ZINC001296731789	958044280	/nfs/dbraw/zinc/04/42/80/958044280.db2.gz	BAIMFMQBRAOSOT-UHFFFAOYSA-N	-1	0	304.335	0.396	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(OC)c(OC)c1	ZINC001588396007	958044884	/nfs/dbraw/zinc/04/48/84/958044884.db2.gz	SNMGCAUMTRSYGC-UHFFFAOYSA-N	-1	0	320.301	0.189	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC001588398843	958069496	/nfs/dbraw/zinc/06/94/96/958069496.db2.gz	DBHNUEHIGTUNPP-CYBMUJFWSA-N	-1	0	321.377	0.461	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccnc(N2CCCC2)c1	ZINC001588408828	958117704	/nfs/dbraw/zinc/11/77/04/958117704.db2.gz	HFMIAEXNDGOGFG-UHFFFAOYSA-N	-1	0	316.361	0.911	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2	ZINC001588412348	958150864	/nfs/dbraw/zinc/15/08/64/958150864.db2.gz	BNQOVNJENFGQKF-SECBINFHSA-N	-1	0	317.301	0.958	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccnn1C[C@H]1CCOC1	ZINC001588412830	958153535	/nfs/dbraw/zinc/15/35/35/958153535.db2.gz	KUWKRSTWMZJMDL-LLVKDONJSA-N	-1	0	306.322	0.471	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C	ZINC001588417158	958167490	/nfs/dbraw/zinc/16/74/90/958167490.db2.gz	ACXJZNFUFDWVAJ-WZRBSPASSA-N	-1	0	322.361	0.788	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)N1CCC(C(=O)OCC)CC1	ZINC001588419936	958197152	/nfs/dbraw/zinc/19/71/52/958197152.db2.gz	JAVCWJIYTBBVEE-GFCCVEGCSA-N	-1	0	324.377	0.196	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCC1(c2ccccc2)CC1	ZINC001588420156	958199657	/nfs/dbraw/zinc/19/96/57/958199657.db2.gz	NZHOZVDLIKDFRG-UHFFFAOYSA-N	-1	0	300.358	0.854	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1ccc(OC)cc1OC	ZINC001588420217	958202313	/nfs/dbraw/zinc/20/23/13/958202313.db2.gz	QONMZRHETMMYNX-UHFFFAOYSA-N	-1	0	306.318	0.662	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CC)n1C[C@H]1CCCCO1	ZINC001588427150	958240179	/nfs/dbraw/zinc/24/01/79/958240179.db2.gz	OKESNLDREOQDRO-GFCCVEGCSA-N	-1	0	306.366	0.934	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CC=C[C@H](O)C2)n1CC=C	ZINC001588427422	958245511	/nfs/dbraw/zinc/24/55/11/958245511.db2.gz	XFWHBRLBMQZSRC-OLZOCXBDSA-N	-1	0	316.361	0.783	20	30		DCEDRM
CN(Cc1cccc(F)c1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361726542	958259326	/nfs/dbraw/zinc/25/93/26/958259326.db2.gz	YEUQNQLWIGVDSS-UHFFFAOYSA-N	-1	0	316.292	0.618	20	30		DCEDRM
Cc1nn(C)c(C)c1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361731887	958265301	/nfs/dbraw/zinc/26/53/01/958265301.db2.gz	NWYOAECOWCVHJF-UHFFFAOYSA-N	-1	0	316.321	0.200	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)[C@]2(C(=O)[O-])CCCO2)n1	ZINC001588432776	958288386	/nfs/dbraw/zinc/28/83/86/958288386.db2.gz	CQWVSKROSRFKSC-HNNXBMFYSA-N	-1	0	305.334	0.499	20	30		DCEDRM
C#CCSCC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1	ZINC001588433846	958300152	/nfs/dbraw/zinc/30/01/52/958300152.db2.gz	WBCVBRNNYDBAGI-NWDGAFQWSA-N	-1	0	321.402	0.803	20	30		DCEDRM
CCCCN(CCOC)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361766168	958303677	/nfs/dbraw/zinc/30/36/77/958303677.db2.gz	XCPZSEQIDBWINP-UHFFFAOYSA-N	-1	0	308.338	0.096	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@@]2(C(=O)[O-])CCCO2)c1	ZINC001588439875	958324545	/nfs/dbraw/zinc/32/45/45/958324545.db2.gz	URLXUICRNVSMPH-MRXNPFEDSA-N	-1	0	316.313	0.356	20	30		DCEDRM
C[C@@H]1CCC[C@@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001361813316	958360879	/nfs/dbraw/zinc/36/08/79/958360879.db2.gz	NIMGYEIJHYXOKB-ZYHUDNBSSA-N	-1	0	304.350	0.906	20	30		DCEDRM
COc1ccc(Cn2cc(CN(C)CC(=O)[O-])nn2)cc1C#N	ZINC001594098097	958416220	/nfs/dbraw/zinc/41/62/20/958416220.db2.gz	CFAFNSRWXPQZBV-UHFFFAOYSA-N	-1	0	315.333	0.723	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1	ZINC001588457593	958452802	/nfs/dbraw/zinc/45/28/02/958452802.db2.gz	HAYQNWIFYWOPCV-UHFFFAOYSA-N	-1	0	308.338	0.903	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)C(=O)OC	ZINC001588457703	958454376	/nfs/dbraw/zinc/45/43/76/958454376.db2.gz	AWBLDLWMSKLLDK-SECBINFHSA-N	-1	0	309.322	0.746	20	30		DCEDRM
COc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1C#N	ZINC001594105762	958465117	/nfs/dbraw/zinc/46/51/17/958465117.db2.gz	LYEKAQOIBJTIQX-CQSZACIVSA-N	-1	0	305.290	0.932	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)C(=O)OC	ZINC001588465286	958499992	/nfs/dbraw/zinc/49/99/92/958499992.db2.gz	XEYWSLSYZKEUOX-NWDGAFQWSA-N	-1	0	313.350	0.738	20	30		DCEDRM
C=CCNC(=O)CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1	ZINC001588465337	958501484	/nfs/dbraw/zinc/50/14/84/958501484.db2.gz	CUTAVPIUYPCYIX-LBPRGKRZSA-N	-1	0	321.377	0.972	20	30		DCEDRM
CC(C)(C#N)c1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1	ZINC001603230373	972354454	/nfs/dbraw/zinc/35/44/54/972354454.db2.gz	KXOJCNLOLUSJSY-UHFFFAOYSA-N	-1	0	304.302	0.845	20	30		DCEDRM
C=CCn1c(COC)nnc1N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588471622	958535176	/nfs/dbraw/zinc/53/51/76/958535176.db2.gz	CLZNWNKMAVXIHX-CQSZACIVSA-N	-1	0	310.354	0.538	20	30		DCEDRM
C=CCn1c(COC)nnc1N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588471619	958535387	/nfs/dbraw/zinc/53/53/87/958535387.db2.gz	CLZNWNKMAVXIHX-AWEZNQCLSA-N	-1	0	310.354	0.538	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cnn(C(F)F)c2)c(=O)[n-]c1=O	ZINC001361974397	958560298	/nfs/dbraw/zinc/56/02/98/958560298.db2.gz	JYUCAANXIFDELA-UHFFFAOYSA-N	-1	0	310.220	0.051	20	30		DCEDRM
O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CC#Cc1ccccc1	ZINC000126306368	958585699	/nfs/dbraw/zinc/58/56/99/958585699.db2.gz	IULPTUZLJLQPOF-CQSZACIVSA-N	-1	0	307.371	0.612	20	30		DCEDRM
N#Cc1cn(CC(=O)NC2(c3ccccc3)CC2)c(=O)[n-]c1=O	ZINC001362111351	958755831	/nfs/dbraw/zinc/75/58/31/958755831.db2.gz	JVWQLTHEHLADAF-UHFFFAOYSA-N	-1	0	310.313	0.626	20	30		DCEDRM
CO[C@@H](C)CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001362154406	958838261	/nfs/dbraw/zinc/83/82/61/958838261.db2.gz	HSORRKZUKHDPGD-JTQLQIEISA-N	-1	0	308.338	0.092	20	30		DCEDRM
C#CCCCC(=O)NCC1(NC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001299151316	958849926	/nfs/dbraw/zinc/84/99/26/958849926.db2.gz	YBHDXOLASKMAPX-UHFFFAOYSA-N	-1	0	304.350	0.606	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(N2CN=NC2=O)CC1	ZINC001588534418	958921751	/nfs/dbraw/zinc/92/17/51/958921751.db2.gz	GDPNFHKELGJQRZ-CYBMUJFWSA-N	-1	0	307.310	0.152	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1Cc2ccccc2NC1=O	ZINC001588538280	958939646	/nfs/dbraw/zinc/93/96/46/958939646.db2.gz	GPOQUWJVARNRKE-NHYWBVRUSA-N	-1	0	301.302	0.671	20	30		DCEDRM
C[C@H](C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001588551978	959030567	/nfs/dbraw/zinc/03/05/67/959030567.db2.gz	NGCYATCLXVLOKJ-BMIGLBTASA-N	-1	0	313.317	0.827	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC2(O)CCCCC2)c(=O)[n-]c1=O	ZINC001362322100	959141281	/nfs/dbraw/zinc/14/12/81/959141281.db2.gz	UYIOBLZBZXBVNN-UHFFFAOYSA-N	-1	0	320.349	0.022	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C	ZINC001362435039	959351654	/nfs/dbraw/zinc/35/16/54/959351654.db2.gz	UFXKIWDAKGLIGO-NWDGAFQWSA-N	-1	0	321.377	0.855	20	30		DCEDRM
CNC(=O)[C@H]1CCCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362473396	959423801	/nfs/dbraw/zinc/42/38/01/959423801.db2.gz	LYFQWYMMIKLGHS-LLVKDONJSA-N	-1	0	302.334	0.708	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2cccc(O)c2F)c(=O)[n-]c1=O	ZINC001362487186	959449272	/nfs/dbraw/zinc/44/92/72/959449272.db2.gz	KDXIHWZQKGVVPD-UHFFFAOYSA-N	-1	0	318.264	0.694	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1CCN(C)C(=O)C1	ZINC001362592392	959659669	/nfs/dbraw/zinc/65/96/69/959659669.db2.gz	XNYUVDSFPCNDFD-SNVBAGLBSA-N	-1	0	302.334	0.566	20	30		DCEDRM
Cc1ccncc1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362612029	959698131	/nfs/dbraw/zinc/69/81/31/959698131.db2.gz	OHRPPXSBCHLYSV-UHFFFAOYSA-N	-1	0	313.317	0.231	20	30		DCEDRM
N#Cc1nc(NC(=O)C[C@H]2NC(=O)c3ccccc32)[n-]c1C#N	ZINC001362611956	959699277	/nfs/dbraw/zinc/69/92/77/959699277.db2.gz	JDMYSIPKSXONNQ-SNVBAGLBSA-N	-1	0	306.285	0.966	20	30		DCEDRM
CC(C)(CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001362703754	959858488	/nfs/dbraw/zinc/85/84/88/959858488.db2.gz	PGVMGKCDSULLRP-UHFFFAOYSA-N	-1	0	318.255	0.525	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1	ZINC001362804686	960014657	/nfs/dbraw/zinc/01/46/57/960014657.db2.gz	UDDVWULBEASOIL-SECBINFHSA-N	-1	0	323.374	0.663	20	30		DCEDRM
Cc1cc(C)c(O)c(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001302208560	960016365	/nfs/dbraw/zinc/01/63/65/960016365.db2.gz	DRFXMBBDOYVHNA-UHFFFAOYSA-N	-1	0	314.301	0.782	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN2C[C@@H](F)C[C@H]2C1	ZINC001362914779	960169368	/nfs/dbraw/zinc/16/93/68/960169368.db2.gz	OORDPZPMBAQAGE-RYUDHWBXSA-N	-1	0	304.325	0.836	20	30		DCEDRM
C#Cc1ccc(NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001311302621	960248238	/nfs/dbraw/zinc/24/82/38/960248238.db2.gz	LSSDDGBBLQODSE-UHFFFAOYSA-N	-1	0	323.312	0.624	20	30		DCEDRM
C[C@@H](c1ccccc1)[C@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363147562	960480534	/nfs/dbraw/zinc/48/05/34/960480534.db2.gz	FJLRJBCBBGUAJK-GWCFXTLKSA-N	-1	0	314.345	0.522	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC001588668657	960489330	/nfs/dbraw/zinc/48/93/30/960489330.db2.gz	PLOACNSVUPJOCE-KBPBESRZSA-N	-1	0	314.338	0.200	20	30		DCEDRM
CC(C)c1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)on1	ZINC001363285316	960787587	/nfs/dbraw/zinc/78/75/87/960787587.db2.gz	FELXDASSMYWNRF-UHFFFAOYSA-N	-1	0	317.305	0.362	20	30		DCEDRM
Cc1cccc([C@H](NC(=O)[C@H](C)n2cnc(C#N)n2)C(=O)[O-])c1	ZINC001574387066	961136267	/nfs/dbraw/zinc/13/62/67/961136267.db2.gz	CWAABTPYZLZUNQ-GWCFXTLKSA-N	-1	0	313.317	0.961	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1NC(=O)NCC1(C#N)CCOCC1	ZINC001571096682	961175050	/nfs/dbraw/zinc/17/50/50/961175050.db2.gz	QWUQSEFYLRANSS-UHFFFAOYSA-N	-1	0	307.310	0.560	20	30		DCEDRM
CC(C)n1nccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363484792	961252101	/nfs/dbraw/zinc/25/21/01/961252101.db2.gz	ULTNIJSLVLVOFN-UHFFFAOYSA-N	-1	0	316.321	0.028	20	30		DCEDRM
Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)NCCC#N)C2)cn1	ZINC001574453381	961485474	/nfs/dbraw/zinc/48/54/74/961485474.db2.gz	GMSOUWXYASWWIE-GHMZBOCLSA-N	-1	0	305.338	0.533	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)co1	ZINC001574479200	961649172	/nfs/dbraw/zinc/64/91/72/961649172.db2.gz	GFRTYQKSBNXNCF-NSHDSACASA-N	-1	0	305.290	0.347	20	30		DCEDRM
COC(=O)c1cc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)n(C)n1	ZINC001571145878	961744372	/nfs/dbraw/zinc/74/43/72/961744372.db2.gz	MZWADKRIWJZOQU-UHFFFAOYSA-N	-1	0	320.305	0.037	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H]2c3ccccc3CC[C@H]2O)c(C#N)c1=O	ZINC001363753096	961809985	/nfs/dbraw/zinc/80/99/85/961809985.db2.gz	VDLCKHFIEAXEGF-OLZOCXBDSA-N	-1	0	312.329	0.406	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cccc(CN2CCOCC2)c1)C(=O)[O-]	ZINC001334998082	961876526	/nfs/dbraw/zinc/87/65/26/961876526.db2.gz	PPQPMBBOWKAECU-OAHLLOKOSA-N	-1	0	316.357	0.725	20	30		DCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC001571163177	961948452	/nfs/dbraw/zinc/94/84/52/961948452.db2.gz	FWYPAODSIFIMIM-ACZMJKKPSA-N	-1	0	324.259	0.108	20	30		DCEDRM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC#Cc1ccccc1)C2	ZINC001574556158	961986798	/nfs/dbraw/zinc/98/67/98/961986798.db2.gz	NBMJWAQWXBHCGX-YOEHRIQHSA-N	-1	0	314.341	0.781	20	30		DCEDRM
Cc1cc(=O)[nH]c(N2CC[C@@H](NC(=O)c3coc(C#N)c3)C2)n1	ZINC001364054178	962381699	/nfs/dbraw/zinc/38/16/99/962381699.db2.gz	FMNBZRSJWAKLOK-LLVKDONJSA-N	-1	0	313.317	0.964	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@H]2CCC[C@H](F)C2)c(=O)[n-]c1=O	ZINC001364106951	962483172	/nfs/dbraw/zinc/48/31/72/962483172.db2.gz	IMCVSFHAHXPART-ONGXEEELSA-N	-1	0	308.313	0.465	20	30		DCEDRM
COCC[C@@H](Cc1ccco1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364181826	962622793	/nfs/dbraw/zinc/62/27/93/962622793.db2.gz	IKCRDTXYAHHBEM-JTQLQIEISA-N	-1	0	318.333	0.598	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@@H]2[C@H]2CCC[C@H]2O)c(C#N)c1=O	ZINC001364189536	962638703	/nfs/dbraw/zinc/63/87/03/962638703.db2.gz	AQTFHEHZAWRCIK-YUSALJHKSA-N	-1	0	304.350	0.075	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(S(C)(=O)=O)s1)C(=O)[O-]	ZINC001573303408	962675474	/nfs/dbraw/zinc/67/54/74/962675474.db2.gz	NNMSJVRUNQZGQY-ZETCQYMHSA-N	-1	0	301.345	0.358	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN1C(=O)CNC(=O)[O-]	ZINC001573321048	962755483	/nfs/dbraw/zinc/75/54/83/962755483.db2.gz	HUYYHKFZMWCBQV-NSHDSACASA-N	-1	0	311.382	0.916	20	30		DCEDRM
CC(C)[C@@]1(C)C[C@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364295801	962844613	/nfs/dbraw/zinc/84/46/13/962844613.db2.gz	NFCVXEFLMQLZIF-IAQYHMDHSA-N	-1	0	319.365	0.554	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@@H](CO)Nc2ncc(C(=O)[O-])cn2)C1	ZINC001573343224	962902573	/nfs/dbraw/zinc/90/25/73/962902573.db2.gz	BNUYWGWWNOEOBN-NSHDSACASA-N	-1	0	320.349	0.420	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)C1	ZINC001573343543	962905237	/nfs/dbraw/zinc/90/52/37/962905237.db2.gz	HFHZWYQPZCNQEG-WHOHXGKFSA-N	-1	0	306.362	0.827	20	30		DCEDRM
C=CCCCC(=O)N1CCC2(CN(C(=O)CNC(=O)[O-])C2)C1	ZINC001573356670	963009375	/nfs/dbraw/zinc/00/93/75/963009375.db2.gz	FWEMECSMNIDOFV-UHFFFAOYSA-N	-1	0	309.366	0.671	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C(=O)OCC)cn1)C(=O)[O-]	ZINC001573368104	963073088	/nfs/dbraw/zinc/07/30/88/963073088.db2.gz	AIOGKEQFWGBDKF-LBPRGKRZSA-N	-1	0	322.317	0.644	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2[nH]c(CO)nc2c1)C(=O)[O-]	ZINC001573369585	963099696	/nfs/dbraw/zinc/09/96/96/963099696.db2.gz	WJJHDVFSUKWMPN-GFCCVEGCSA-N	-1	0	319.317	0.441	20	30		DCEDRM
C#CCCCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588435347	964020868	/nfs/dbraw/zinc/02/08/68/964020868.db2.gz	MLAQWGAXFCJJOO-NSHDSACASA-N	-1	0	302.334	0.413	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001588435390	964020980	/nfs/dbraw/zinc/02/09/80/964020980.db2.gz	OLNFWLIXIALRII-ZDUSSCGKSA-N	-1	0	311.359	0.579	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001588435389	964021399	/nfs/dbraw/zinc/02/13/99/964021399.db2.gz	OLNFWLIXIALRII-CYBMUJFWSA-N	-1	0	311.359	0.579	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C2CC2)N(C)C(=O)[C@@H](C)C#N)c1[O-]	ZINC001381768168	966668838	/nfs/dbraw/zinc/66/88/38/966668838.db2.gz	ASZOKTADKAOTIG-KWQFWETISA-N	-1	0	319.365	0.550	20	30		DCEDRM
C[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCN1CC(C)(C)O	ZINC001610090559	970662074	/nfs/dbraw/zinc/66/20/74/970662074.db2.gz	JDTPBBVKHIKMLP-NHYWBVRUSA-N	-1	0	311.382	0.295	20	30		DCEDRM
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001604267661	972811025	/nfs/dbraw/zinc/81/10/25/972811025.db2.gz	LSSBNUHHQRGEHH-WBMJQRKESA-N	-1	0	318.329	0.891	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001605454583	973537429	/nfs/dbraw/zinc/53/74/29/973537429.db2.gz	FCRCJARSTBDLIS-GFCCVEGCSA-N	-1	0	319.317	0.655	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)C2	ZINC001605612146	973924482	/nfs/dbraw/zinc/92/44/82/973924482.db2.gz	JJDPHLXGGZVBQX-BBRMVZONSA-N	-1	0	300.314	0.775	20	30		DCEDRM
CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001604002830	974504894	/nfs/dbraw/zinc/50/48/94/974504894.db2.gz	FRLSLQCRUBVIMM-UEKVPHQBSA-N	-1	0	319.365	0.853	20	30		DCEDRM
C[C@H](CCNC(=O)CSCC#N)Nc1ncc(C(=O)[O-])cn1	ZINC001592512860	978340155	/nfs/dbraw/zinc/34/01/55/978340155.db2.gz	HXWZUKAFSXBOBZ-SECBINFHSA-N	-1	0	323.378	0.738	20	30		DCEDRM
C[C@@H](CNC(=O)CSCC#N)N(C)c1ncc(C(=O)[O-])cn1	ZINC001592653716	978634466	/nfs/dbraw/zinc/63/44/66/978634466.db2.gz	PAVPGXMWMBLPLA-VIFPVBQESA-N	-1	0	323.378	0.372	20	30		DCEDRM
CC[C@H](CC#N)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001595029462	979157663	/nfs/dbraw/zinc/15/76/63/979157663.db2.gz	BQFFRIMRCAZBPE-SECBINFHSA-N	-1	0	321.337	0.450	20	30		DCEDRM
CC(C)(CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCC1	ZINC001449710733	1014645376	/nfs/dbraw/zinc/64/53/76/1014645376.db2.gz	JJNSRKWJNMFZPH-UHFFFAOYSA-N	-1	0	304.350	0.763	20	30		DCEDRM
C[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1nncn1C	ZINC001593050332	980342520	/nfs/dbraw/zinc/34/25/20/980342520.db2.gz	DNHFSVCUHHCEPP-SECBINFHSA-N	-1	0	306.326	0.276	20	30		DCEDRM
C=C(C)Cn1c(Cc2nn[nH]n2)nnc1N1CCC(F)(F)C1	ZINC001524008447	1014823422	/nfs/dbraw/zinc/82/34/22/1014823422.db2.gz	HCJWSHIGZFOXJG-UHFFFAOYSA-N	-1	0	310.312	0.804	20	30		DCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC	ZINC001588368167	983303464	/nfs/dbraw/zinc/30/34/64/983303464.db2.gz	HOGYZLWSEUDQER-QMMMGPOBSA-N	-1	0	311.315	0.471	20	30		DCEDRM
C#C[C@@H]([C@@H]1CCCO1)N1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O	ZINC001588369648	983316153	/nfs/dbraw/zinc/31/61/53/983316153.db2.gz	RUMJUIJRCPUUJA-SLMGRZLQSA-N	-1	0	320.345	0.733	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])[C@@H]1CCCO1	ZINC001588377904	983359987	/nfs/dbraw/zinc/35/99/87/983359987.db2.gz	RUROXFARDSJEMB-KBPBESRZSA-N	-1	0	323.370	0.985	20	30		DCEDRM
C#CC1CCN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC1	ZINC001588382778	983374437	/nfs/dbraw/zinc/37/44/37/983374437.db2.gz	IKHDMMJCOZJQSL-ZDUSSCGKSA-N	-1	0	318.373	0.572	20	30		DCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N2CCC(CC(=O)[O-])CC2)C1	ZINC001588383202	983378036	/nfs/dbraw/zinc/37/80/36/983378036.db2.gz	ZMIBDUMEIHIFSZ-LBPRGKRZSA-N	-1	0	306.362	0.572	20	30		DCEDRM
C#CC1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CC1	ZINC001588383242	983378809	/nfs/dbraw/zinc/37/88/09/983378809.db2.gz	QIGCEMXJIRZQNQ-OLZOCXBDSA-N	-1	0	306.362	0.618	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC001588383613	983382481	/nfs/dbraw/zinc/38/24/81/983382481.db2.gz	FUPVAZAFSZUYBO-LJLILKBBSA-N	-1	0	321.354	0.807	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001588395797	983406386	/nfs/dbraw/zinc/40/63/86/983406386.db2.gz	UFQTUUJANLQMFH-VIFPVBQESA-N	-1	0	301.295	0.186	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@]1(C)Oc2ccccc2NC1=O)C(=O)[O-]	ZINC001588399464	983415898	/nfs/dbraw/zinc/41/58/98/983415898.db2.gz	UTCJYNNKZXFVNV-ZUZCIYMTSA-N	-1	0	302.286	0.369	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCS(=O)(=O)C1CCCC1)C(=O)[O-]	ZINC001588404681	983418444	/nfs/dbraw/zinc/41/84/44/983418444.db2.gz	GAHZGDBJUUKUAO-LLVKDONJSA-N	-1	0	301.364	0.327	20	30		DCEDRM
C#CC[C@@H](NC(=O)C1CCN(CC(F)(F)F)CC1)C(=O)[O-]	ZINC001588405994	983423844	/nfs/dbraw/zinc/42/38/44/983423844.db2.gz	LFWVXRHCHXOEIX-SNVBAGLBSA-N	-1	0	306.284	0.853	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)C(=O)[O-]	ZINC001588407057	983427118	/nfs/dbraw/zinc/42/71/18/983427118.db2.gz	VEZRSKFBTHAKDH-NWDGAFQWSA-N	-1	0	321.354	0.540	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H]1Cc2ccccc2N1C(C)=O)C(=O)[O-]	ZINC001588407879	983429397	/nfs/dbraw/zinc/42/93/97/983429397.db2.gz	QFDBVQXUMVTJJU-OCCSQVGLSA-N	-1	0	300.314	0.557	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)[O-]	ZINC001588407930	983429903	/nfs/dbraw/zinc/42/99/03/983429903.db2.gz	RLSBAEBWECWVFG-LLVKDONJSA-N	-1	0	315.285	0.096	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)NC(=O)CCc1ccccc1)C(=O)[O-]	ZINC001588408154	983431103	/nfs/dbraw/zinc/43/11/03/983431103.db2.gz	ZIQPUNRFRNNNMD-TZMCWYRMSA-N	-1	0	316.357	0.717	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001588414271	983433759	/nfs/dbraw/zinc/43/37/59/983433759.db2.gz	QBXZWQQNQOKKJP-VIFPVBQESA-N	-1	0	310.237	0.949	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)C(=O)[O-]	ZINC001588424011	983454466	/nfs/dbraw/zinc/45/44/66/983454466.db2.gz	RAOODFYKYQNTPW-JTQLQIEISA-N	-1	0	323.286	0.221	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1)C(=O)[O-]	ZINC001588424550	983455725	/nfs/dbraw/zinc/45/57/25/983455725.db2.gz	WVTOGSDBULMARS-GRYCIOLGSA-N	-1	0	301.364	0.340	20	30		DCEDRM
C#CCC1(NS(=O)(=O)CC2(C(=O)[O-])CCC2)CCOCC1	ZINC001588427885	983458632	/nfs/dbraw/zinc/45/86/32/983458632.db2.gz	QIOQZNVSMDFKJT-UHFFFAOYSA-N	-1	0	315.391	0.733	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(OC(C)C)nc1)C(=O)[O-]	ZINC001588428267	983461071	/nfs/dbraw/zinc/46/10/71/983461071.db2.gz	IAUNVCJPDWWGOE-NSHDSACASA-N	-1	0	312.347	0.624	20	30		DCEDRM
C#CC[C@H]1CCCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1	ZINC001588431902	983466236	/nfs/dbraw/zinc/46/62/36/983466236.db2.gz	QHBYBDLEZHFBDL-STQMWFEESA-N	-1	0	306.362	0.572	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1	ZINC001588432074	983467236	/nfs/dbraw/zinc/46/72/36/983467236.db2.gz	WWKIZORNBFRRTC-GFCCVEGCSA-N	-1	0	302.330	0.808	20	30		DCEDRM
C#CCNC(=O)[C@H](C)OC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001588479186	983517923	/nfs/dbraw/zinc/51/79/23/983517923.db2.gz	BHFXXOYKJCBKBU-JTQLQIEISA-N	-1	0	307.306	0.043	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)C2CCC(C(=O)[O-])CC2)CC1	ZINC001588479503	983520033	/nfs/dbraw/zinc/52/00/33/983520033.db2.gz	QCQTUPDFITVESY-UHFFFAOYSA-N	-1	0	314.407	0.210	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)c1ccnc(C(=O)[O-])n1	ZINC001588490762	983534237	/nfs/dbraw/zinc/53/42/37/983534237.db2.gz	XYOSKCYTMNYDJU-QWRGUYRKSA-N	-1	0	320.349	0.154	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588491893	983537942	/nfs/dbraw/zinc/53/79/42/983537942.db2.gz	ZIPYHQVUDVPRSL-UHFFFAOYSA-N	-1	0	303.380	0.543	20	30		DCEDRM
C#CCn1cc(CNS(=O)(=O)c2cc(C(=O)[O-])co2)cn1	ZINC001588509758	983553765	/nfs/dbraw/zinc/55/37/65/983553765.db2.gz	MJCXKDKQMVSRLS-UHFFFAOYSA-N	-1	0	309.303	0.286	20	30		DCEDRM
C#Cc1cncc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])c1	ZINC001588529249	983580650	/nfs/dbraw/zinc/58/06/50/983580650.db2.gz	UQGPLOZZVCYRTK-AAEUAGOBSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1Cn1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588536894	983596213	/nfs/dbraw/zinc/59/62/13/983596213.db2.gz	VKCFJTRKCTYOMU-NAWOPXAZSA-N	-1	0	319.365	0.421	20	30		DCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC001588536957	983596582	/nfs/dbraw/zinc/59/65/82/983596582.db2.gz	GKVIZLDOWNJSHL-ZETCQYMHSA-N	-1	0	306.365	0.447	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)[O-]	ZINC001588549099	983626513	/nfs/dbraw/zinc/62/65/13/983626513.db2.gz	XNEOKYHVSIFMDU-NSHDSACASA-N	-1	0	302.286	0.719	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)Cc1noc(C2CC2)n1)C(=O)[O-]	ZINC001588555222	983633890	/nfs/dbraw/zinc/63/38/90/983633890.db2.gz	BLXKKBKSEIDPBJ-SECBINFHSA-N	-1	0	315.351	0.786	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC001588555615	983635983	/nfs/dbraw/zinc/63/59/83/983635983.db2.gz	NMJBYJDBWIEKPV-NSHDSACASA-N	-1	0	312.347	0.483	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC001588555614	983636205	/nfs/dbraw/zinc/63/62/05/983636205.db2.gz	NMJBYJDBWIEKPV-LLVKDONJSA-N	-1	0	312.347	0.483	20	30		DCEDRM
C=C(C)Cn1c([C@H](O)CC)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588599022	983687871	/nfs/dbraw/zinc/68/78/71/983687871.db2.gz	FADORGCEPMMVBX-ABAIWWIYSA-N	-1	0	324.381	0.978	20	30		DCEDRM
CCN(CCOC)c1cccc(CN(CC#N)CC(=O)[O-])n1	ZINC001596340671	983788552	/nfs/dbraw/zinc/78/85/52/983788552.db2.gz	JTZACMLCEXBMGH-UHFFFAOYSA-N	-1	0	306.366	0.964	20	30		DCEDRM
C=CC(C)(C)C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588671527	983821155	/nfs/dbraw/zinc/82/11/55/983821155.db2.gz	COBZDWVJDPNBCO-KKOKHZNYSA-N	-1	0	308.378	0.930	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])n1cc(CN2CCC(C(=O)OCC)CC2)nn1	ZINC001588671700	983821857	/nfs/dbraw/zinc/82/18/57/983821857.db2.gz	GFTGJHJTGGHMBG-ZDUSSCGKSA-N	-1	0	322.365	0.865	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1	ZINC001588681478	983839950	/nfs/dbraw/zinc/83/99/50/983839950.db2.gz	XKTBHXPSOOTDOV-IAQYHMDHSA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(C)c1ccnc(C(=O)[O-])n1	ZINC001588684791	983864168	/nfs/dbraw/zinc/86/41/68/983864168.db2.gz	YFAGNSYVXSZIFG-MEBBXXQBSA-N	-1	0	322.365	0.443	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001588693337	983893385	/nfs/dbraw/zinc/89/33/85/983893385.db2.gz	WROJHLJTWYNBED-LLVKDONJSA-N	-1	0	306.318	0.949	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588737579	984030099	/nfs/dbraw/zinc/03/00/99/984030099.db2.gz	MOVGKVGNOJNOOH-LLVKDONJSA-N	-1	0	305.396	0.735	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)C(=O)OCC	ZINC001588749052	984063677	/nfs/dbraw/zinc/06/36/77/984063677.db2.gz	DKWMJUKYFAIIHF-SECBINFHSA-N	-1	0	305.352	0.278	20	30		DCEDRM
C=CC[C@@H](OC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-]	ZINC001588753979	984090502	/nfs/dbraw/zinc/09/05/02/984090502.db2.gz	QQBQQEGSYRFEIF-HTQZYQBOSA-N	-1	0	309.240	0.970	20	30		DCEDRM
CCN1CCO[C@H](C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001596442486	984137358	/nfs/dbraw/zinc/13/73/58/984137358.db2.gz	MGFJBCFLQUHRJA-KBPBESRZSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-]	ZINC001588788877	984193945	/nfs/dbraw/zinc/19/39/45/984193945.db2.gz	QJDSERYQUBHXEV-UTUOFQBUSA-N	-1	0	312.366	0.725	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)Cn1c(C)cc(C)nc1=O)C(=O)[O-]	ZINC001588794316	984226605	/nfs/dbraw/zinc/22/66/05/984226605.db2.gz	QZXMGWUHBOGKRD-GFCCVEGCSA-N	-1	0	307.350	0.786	20	30		DCEDRM
C=CCCC[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C(=O)OC	ZINC001588797985	984232959	/nfs/dbraw/zinc/23/29/59/984232959.db2.gz	QHRRSOVGHLDCKR-UWVGGRQHSA-N	-1	0	307.368	0.524	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588810430	984266962	/nfs/dbraw/zinc/26/69/62/984266962.db2.gz	PVURLSRLWYYQQU-XQHKEYJVSA-N	-1	0	324.377	0.311	20	30		DCEDRM
C=CCCS(=O)(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588812943	984268416	/nfs/dbraw/zinc/26/84/16/984268416.db2.gz	FNMAWTCQQBTSJM-AWEZNQCLSA-N	-1	0	317.407	0.974	20	30		DCEDRM
C=CCCn1cc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)OC)nn1	ZINC001588820126	984282266	/nfs/dbraw/zinc/28/22/66/984282266.db2.gz	RILQXNQEJFHJNP-DGCLKSJQSA-N	-1	0	322.365	0.692	20	30		DCEDRM
C=CCN(CC=C)C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588825296	984300034	/nfs/dbraw/zinc/30/00/34/984300034.db2.gz	KFMHWMLQOQOBLU-XQHKEYJVSA-N	-1	0	306.362	0.803	20	30		DCEDRM
C=CCN(Cc1oncc1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC001588831627	984315692	/nfs/dbraw/zinc/31/56/92/984315692.db2.gz	FPWKEUQWCJRZJP-SECBINFHSA-N	-1	0	300.336	0.548	20	30		DCEDRM
C=CCNC(=O)CN1CCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1	ZINC001588838886	984342480	/nfs/dbraw/zinc/34/24/80/984342480.db2.gz	LIJFTPSRBYHDES-LBPRGKRZSA-N	-1	0	321.377	0.959	20	30		DCEDRM
C=CCN1CC[C@@H](OC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1=O	ZINC001588839783	984349430	/nfs/dbraw/zinc/34/94/30/984349430.db2.gz	VLNNXCFIQQGUOH-QJPTWQEYSA-N	-1	0	311.334	0.729	20	30		DCEDRM
C=CCOCC(=O)N1CCC(C)(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588850080	984378737	/nfs/dbraw/zinc/37/87/37/984378737.db2.gz	WPCUSTUJGPZLDS-RYUDHWBXSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=CCOCC(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CCC1	ZINC001588850764	984379741	/nfs/dbraw/zinc/37/97/41/984379741.db2.gz	DCYBITLXOQKNSL-UHFFFAOYSA-N	-1	0	320.349	0.250	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C1(O)Cc2ccccc2C1)C(=O)[O-]	ZINC001588856166	984397873	/nfs/dbraw/zinc/39/78/73/984397873.db2.gz	VUAUHMGINVYHCG-CYBMUJFWSA-N	-1	0	305.330	0.288	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1csc(-c2ncc[nH]2)n1)C(=O)[O-]	ZINC001588860239	984411650	/nfs/dbraw/zinc/41/16/50/984411650.db2.gz	NIBUWJOFDIYYLC-MRVPVSSYSA-N	-1	0	322.346	0.919	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccnc2[nH]c(=O)[nH]c21)C(=O)[O-]	ZINC001588860511	984413826	/nfs/dbraw/zinc/41/38/26/984413826.db2.gz	WQFGDOKWYWDGHP-MRVPVSSYSA-N	-1	0	306.278	0.049	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccc(C#N)c(C)c1)C(=O)[O-]	ZINC001588865813	984420265	/nfs/dbraw/zinc/42/02/65/984420265.db2.gz	BXKQHGHXOIYGNA-ZDUSSCGKSA-N	-1	0	324.358	0.801	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccc(N)cc1F)C(=O)[O-]	ZINC001588865861	984420711	/nfs/dbraw/zinc/42/07/11/984420711.db2.gz	DRYDFRIPLGPDQH-SNVBAGLBSA-N	-1	0	318.326	0.342	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)C[C@]1(C)CC1(F)F)C(=O)[O-]	ZINC001588866045	984422462	/nfs/dbraw/zinc/42/24/62/984422462.db2.gz	HYFFHXLSMXNGTA-WPRPVWTQSA-N	-1	0	313.322	0.607	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1cc(C(=O)[O-])oc1C	ZINC001588879020	984456105	/nfs/dbraw/zinc/45/61/05/984456105.db2.gz	RDFSYJMNFIRVTG-UHFFFAOYSA-N	-1	0	301.320	0.617	20	30		DCEDRM
C=CCn1c(-c2cnsn2)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588889949	984482659	/nfs/dbraw/zinc/48/26/59/984482659.db2.gz	IXERATFPAOSQEM-GFCCVEGCSA-N	-1	0	324.341	0.986	20	30		DCEDRM
C=CCn1c(-c2ncccn2)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588891875	984490004	/nfs/dbraw/zinc/49/00/04/984490004.db2.gz	VVHRUJHABQIUCK-CQSZACIVSA-N	-1	0	318.312	0.924	20	30		DCEDRM
C=CCn1c([C@@H](C)CO)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588895653	984494916	/nfs/dbraw/zinc/49/49/16/984494916.db2.gz	KLWIWQXPYHINDU-DCAQKATOSA-N	-1	0	310.354	0.238	20	30		DCEDRM
C=CCn1c([C@H](O)C=C)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588895987	984498024	/nfs/dbraw/zinc/49/80/24/984498024.db2.gz	PEUJHXNMGAHQBP-YGRLFVJLSA-N	-1	0	308.338	0.363	20	30		DCEDRM
C=CCn1c([C@@H](O)C=C)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588895983	984498044	/nfs/dbraw/zinc/49/80/44/984498044.db2.gz	PEUJHXNMGAHQBP-HZMBPMFUSA-N	-1	0	308.338	0.363	20	30		DCEDRM
C=CCn1c([C@H]2C[C@@H]2C#N)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588896737	984504176	/nfs/dbraw/zinc/50/41/76/984504176.db2.gz	LAWHVLUDQRPMII-WYUUTHIRSA-N	-1	0	317.349	0.769	20	30		DCEDRM
C=CCn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1C(C)(C)COC	ZINC001588904861	984532903	/nfs/dbraw/zinc/53/29/03/984532903.db2.gz	GJHGBZALOWRZJU-NSHDSACASA-N	-1	0	324.381	0.678	20	30		DCEDRM
C=CCn1cc(CNC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])nn1	ZINC001588909074	984541886	/nfs/dbraw/zinc/54/18/86/984541886.db2.gz	HZQGUVOYERQPIL-CMPLNLGQSA-N	-1	0	307.354	0.907	20	30		DCEDRM
C=C[C@H](CO)NC(=O)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC001588919705	984573390	/nfs/dbraw/zinc/57/33/90/984573390.db2.gz	JITWGLJBVGMAIA-MWLCHTKSSA-N	-1	0	306.318	0.476	20	30		DCEDRM
CC#CCCCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588925177	984585147	/nfs/dbraw/zinc/58/51/47/984585147.db2.gz	MHAFPKKZBAQRBW-CHWSQXEVSA-N	-1	0	306.362	0.572	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC001588925627	984588229	/nfs/dbraw/zinc/58/82/29/984588229.db2.gz	TZMQYRZHHVHTJM-ZDUSSCGKSA-N	-1	0	311.359	0.579	20	30		DCEDRM
CC#CCCCC(=O)NCCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588927415	984598778	/nfs/dbraw/zinc/59/87/78/984598778.db2.gz	WZHGBUIXJMTJNQ-STQMWFEESA-N	-1	0	308.378	0.865	20	30		DCEDRM
CC(=O)N[C@@H](CS[C@@H](C)C(=O)NC1(C#N)CCC1)C(=O)[O-]	ZINC001589157536	985491661	/nfs/dbraw/zinc/49/16/61/985491661.db2.gz	PSXXONIUARQEJO-WPRPVWTQSA-N	-1	0	313.379	0.260	20	30		DCEDRM
CCn1[n-]nnc1=NC(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC001525881087	1015177595	/nfs/dbraw/zinc/17/75/95/1015177595.db2.gz	QPNSJJMPFIDGAL-UHFFFAOYSA-N	-1	0	309.289	0.894	20	30		DCEDRM
Cc1c(C(=O)NC2(C(=O)[O-])CC(CO)C2)cnn1CCC#N	ZINC001599979881	986147771	/nfs/dbraw/zinc/14/77/71/986147771.db2.gz	IFFMWEKBHMHUJW-UHFFFAOYSA-N	-1	0	306.322	0.061	20	30		DCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C[C@H](C)C#N	ZINC001589331021	986182664	/nfs/dbraw/zinc/18/26/64/986182664.db2.gz	YOEJIQJQQPADAT-GHMZBOCLSA-N	-1	0	321.399	0.133	20	30		DCEDRM
Cc1c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)cnn1CCC#N	ZINC001599983169	986192027	/nfs/dbraw/zinc/19/20/27/986192027.db2.gz	COOXPNLLDGCRGG-XZUYRWCXSA-N	-1	0	302.334	0.944	20	30		DCEDRM
C[C@H](C(=O)N(CC#N)CC(=O)[O-])N1CSCCSC1	ZINC001589341455	986250459	/nfs/dbraw/zinc/25/04/59/986250459.db2.gz	BWPBXVBQGZDQMH-SECBINFHSA-N	-1	0	303.409	0.509	20	30		DCEDRM
C[C@@H](C(=O)N(C)c1nc(CC(=O)[O-])cs1)n1cnc(C#N)n1	ZINC001589342136	986263929	/nfs/dbraw/zinc/26/39/29/986263929.db2.gz	VXHZSKQNEHNYGO-ZETCQYMHSA-N	-1	0	320.334	0.457	20	30		DCEDRM
C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])n1cnc(C#N)n1	ZINC001589386826	986489712	/nfs/dbraw/zinc/48/97/12/986489712.db2.gz	CGTPNMPUQOTABJ-ZYHUDNBSSA-N	-1	0	313.317	0.523	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC001589559111	987312655	/nfs/dbraw/zinc/31/26/55/987312655.db2.gz	ZYHIOKBYMKLZAC-LLVKDONJSA-N	-1	0	318.395	0.822	20	30		DCEDRM
CC(C)(C)C#CC(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1	ZINC001589684834	987723847	/nfs/dbraw/zinc/72/38/47/987723847.db2.gz	NAPDNVRGQHQQRB-UHFFFAOYSA-N	-1	0	316.361	0.707	20	30		DCEDRM
CC(C)(C)C#CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001589684977	987724539	/nfs/dbraw/zinc/72/45/39/987724539.db2.gz	SLRIFCAZVKVLKU-ZXPJVPCYSA-N	-1	0	318.373	0.330	20	30		DCEDRM
CCc1ccc(C#CC(=O)N2CCN(CC(=O)[O-])CC2)cc1	ZINC001597495644	988044286	/nfs/dbraw/zinc/04/42/86/988044286.db2.gz	YWLWJMVEOVTFTM-UHFFFAOYSA-N	-1	0	300.358	0.829	20	30		DCEDRM
CCc1ccc(S(C)(=O)=O)cc1C(=O)N(CC#N)CC(=O)[O-]	ZINC001597562810	988310746	/nfs/dbraw/zinc/31/07/46/988310746.db2.gz	RRCABESJCZCTMZ-UHFFFAOYSA-N	-1	0	324.358	0.703	20	30		DCEDRM
C[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)C[C@@H](C(=O)[O-])O1	ZINC001599867277	989287975	/nfs/dbraw/zinc/28/79/75/989287975.db2.gz	HSZVXTYJWZIXCB-SKDRFNHKSA-N	-1	0	301.306	0.275	20	30		DCEDRM
CCn1cc(-c2n[nH]cc2C(=O)N(CC#N)CCC(=O)[O-])cn1	ZINC001597868158	989659836	/nfs/dbraw/zinc/65/98/36/989659836.db2.gz	BNQUNPTXMXQFLA-UHFFFAOYSA-N	-1	0	316.321	0.734	20	30		DCEDRM
CN(C(=O)Cc1ccc(C#N)nc1)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001598034481	990259798	/nfs/dbraw/zinc/25/97/98/990259798.db2.gz	NADKDHVBKSSQFJ-AWEZNQCLSA-N	-1	0	317.345	0.976	20	30		DCEDRM
CN(C(=O)Cn1cncc(C#N)c1=O)c1ccccc1C(=O)[O-]	ZINC001598041857	990278193	/nfs/dbraw/zinc/27/81/93/990278193.db2.gz	CIFWXXSOQQDEAA-UHFFFAOYSA-N	-1	0	312.285	0.476	20	30		DCEDRM
CN([C@H](COC1CCC1)C(=O)[O-])S(=O)(=O)CCCC#N	ZINC001598110104	990501169	/nfs/dbraw/zinc/50/11/69/990501169.db2.gz	ODMJJUNYTZRMQB-LLVKDONJSA-N	-1	0	304.368	0.574	20	30		DCEDRM
CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc(C(=O)[O-])nc2C#N)O1	ZINC001598120277	990540975	/nfs/dbraw/zinc/54/09/75/990540975.db2.gz	XLTZGLQLPAVJOD-ZANVPECISA-N	-1	0	318.333	0.699	20	30		DCEDRM
CC(C)(CS(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)[O-]	ZINC001590798385	990621592	/nfs/dbraw/zinc/62/15/92/990621592.db2.gz	VLGZHTNROPVEBH-NSHDSACASA-N	-1	0	315.395	0.099	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001590927018	990929796	/nfs/dbraw/zinc/92/97/96/990929796.db2.gz	OXJUMNPYCAFCCQ-UONOGXRCSA-N	-1	0	320.389	0.721	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN([C@H]2CCN(CCC(=O)[O-])C2=O)CC1	ZINC001590953487	991020554	/nfs/dbraw/zinc/02/05/54/991020554.db2.gz	QCHPKNUZSPVLER-UONOGXRCSA-N	-1	0	322.409	0.228	20	30		DCEDRM
CN(C)c1nc(N)nc(CON=Cc2ccc(C(=O)[O-])cc2)n1	ZINC001598354197	991466322	/nfs/dbraw/zinc/46/63/22/991466322.db2.gz	HMLMNRIMUAZSBA-UHFFFAOYSA-N	-1	0	316.321	0.769	20	30		DCEDRM
CN(CCC#N)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001598468153	991982822	/nfs/dbraw/zinc/98/28/22/991982822.db2.gz	IIVZNWQNOOCFJF-UHFFFAOYSA-N	-1	0	305.290	0.461	20	30		DCEDRM
CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ncc(C#N)cc1Cl	ZINC001598490228	992277213	/nfs/dbraw/zinc/27/72/13/992277213.db2.gz	GAOOOEFKVHKCEG-NXEZZACHSA-N	-1	0	322.752	0.880	20	30		DCEDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(F)c(C#N)c2)CC1=O	ZINC001598561784	993095670	/nfs/dbraw/zinc/09/56/70/993095670.db2.gz	DPWITTVBDSSZQK-NSHDSACASA-N	-1	0	305.265	0.065	20	30		DCEDRM
CNC(=O)[C@@H](C#N)C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001598629764	994155217	/nfs/dbraw/zinc/15/52/17/994155217.db2.gz	CXRHYOZERDIHPS-QMMMGPOBSA-N	-1	0	305.290	0.221	20	30		DCEDRM
CNC(=O)NCCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001598653697	994486231	/nfs/dbraw/zinc/48/62/31/994486231.db2.gz	QOJHUJJJINNLOM-LBPRGKRZSA-N	-1	0	305.290	0.546	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001573379877	1163420759	/nfs/dbraw/zinc/42/07/59/1163420759.db2.gz	ZYWVVVDZEUDIIB-AGIUHOORSA-N	-1	0	312.366	0.587	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)/C=C/c1ccccc1C#N	ZINC001598692173	995082122	/nfs/dbraw/zinc/08/21/22/995082122.db2.gz	BAGJVDWHXUJWSU-SYTKJHMZSA-N	-1	0	302.286	0.704	20	30		DCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)/C=C\c1ccccc1C#N	ZINC001598692168	995082162	/nfs/dbraw/zinc/08/21/62/995082162.db2.gz	BAGJVDWHXUJWSU-DGMVEKRQSA-N	-1	0	302.286	0.704	20	30		DCEDRM
C[C@](O)(CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001593399262	995154018	/nfs/dbraw/zinc/15/40/18/995154018.db2.gz	PASYCBKYKRLXKD-DOMZBBRYSA-N	-1	0	301.302	0.192	20	30		DCEDRM
C[C@H](OC(=O)CSCC#N)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001593534554	995590256	/nfs/dbraw/zinc/59/02/56/995590256.db2.gz	CSBQIDGQHWPYSO-VIFPVBQESA-N	-1	0	314.363	0.498	20	30		DCEDRM
C[C@@H](OC(=O)c1ccc(C(=O)[O-])n1C)C(=O)NC1(C#N)CCC1	ZINC001593575752	995684606	/nfs/dbraw/zinc/68/46/06/995684606.db2.gz	WZGDURRVVGVMOR-SECBINFHSA-N	-1	0	319.317	0.831	20	30		DCEDRM
C[C@@H](SCCS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001593661958	996040656	/nfs/dbraw/zinc/04/06/56/996040656.db2.gz	UFDPSHOURMDIIA-MRVPVSSYSA-N	-1	0	300.361	0.933	20	30		DCEDRM
COC(=O)[C@H]1CN(c2nc(C#N)c(Cl)s2)C[C@@H]1C(=O)[O-]	ZINC001598826915	996393315	/nfs/dbraw/zinc/39/33/15/996393315.db2.gz	KFEQOWNEMFYUBU-WDSKDSINSA-N	-1	0	315.738	0.978	20	30		DCEDRM
COC(=O)CCN(CC#N)CC(=O)Nc1cccc(C(=O)[O-])c1	ZINC001598855866	996638155	/nfs/dbraw/zinc/63/81/55/996638155.db2.gz	ZTUFNPHVUIIFPD-UHFFFAOYSA-N	-1	0	319.317	0.712	20	30		DCEDRM
COC(=O)CC[C@@H](NC(=O)c1cc(O)cc(C#N)c1)C(=O)[O-]	ZINC001598857060	996646840	/nfs/dbraw/zinc/64/68/40/996646840.db2.gz	QPNWSCMTYLYTGM-LLVKDONJSA-N	-1	0	306.274	0.400	20	30		DCEDRM
Cc1cccnc1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001466136204	1016054417	/nfs/dbraw/zinc/05/44/17/1016054417.db2.gz	SDTCRSWDCWOMGV-UHFFFAOYSA-N	-1	0	314.305	0.346	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(c2nnc([C@H](C)CCC#N)n2C)C1	ZINC001599078570	996937857	/nfs/dbraw/zinc/93/78/57/996937857.db2.gz	SOVUCXFXKSKFBD-YGRLFVJLSA-N	-1	0	307.354	0.902	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])OC(=O)c1cc(C#N)cc(N(C)C)c1	ZINC001598890561	996984328	/nfs/dbraw/zinc/98/43/28/996984328.db2.gz	GOJDYHCGOXVFNJ-GFCCVEGCSA-N	-1	0	320.301	0.797	20	30		DCEDRM
CC1(C)CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C[C@H]1O	ZINC001593946448	996995150	/nfs/dbraw/zinc/99/51/50/996995150.db2.gz	FVVFIFJNPIAQCM-GFCCVEGCSA-N	-1	0	324.358	0.648	20	30		DCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ncc(C#N)cc1C	ZINC001598893302	997032251	/nfs/dbraw/zinc/03/22/51/997032251.db2.gz	NLDYLRKZNGHORA-SNVBAGLBSA-N	-1	0	305.290	0.398	20	30		DCEDRM
COC[C@@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C[C@H](C)O1	ZINC001466970056	1016128459	/nfs/dbraw/zinc/12/84/59/1016128459.db2.gz	QKIXOEWKLBEZKD-JQWIXIFHSA-N	-1	0	305.334	0.843	20	30		DCEDRM
COc1c(C(=O)N(CC#N)CC(=O)[O-])cnn1-c1ccccc1	ZINC001599328879	997712673	/nfs/dbraw/zinc/71/26/73/997712673.db2.gz	QKJAYWBQPSHQMA-UHFFFAOYSA-N	-1	0	314.301	0.931	20	30		DCEDRM
COCCCNC(=S)NN=Cc1cccn1[C@H](C)C(=O)[O-]	ZINC001599227639	997788117	/nfs/dbraw/zinc/78/81/17/997788117.db2.gz	YEISSAJOAVTUFO-SNVBAGLBSA-N	-1	0	312.395	0.968	20	30		DCEDRM
CO[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](C(=O)[O-])C1	ZINC001599127307	997875692	/nfs/dbraw/zinc/87/56/92/997875692.db2.gz	SHUVFMKJPDALKP-NEPJUHHUSA-N	-1	0	324.358	0.811	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC001599233326	997901336	/nfs/dbraw/zinc/90/13/36/997901336.db2.gz	JKLXPMITIRRJDR-UHFFFAOYSA-N	-1	0	312.347	0.854	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC001599233302	997901662	/nfs/dbraw/zinc/90/16/62/997901662.db2.gz	HSTMSOHARWPVTB-DAXSKMNVSA-N	-1	0	324.358	0.945	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001467456882	1016170899	/nfs/dbraw/zinc/17/08/99/1016170899.db2.gz	WPIXMPBXBWSLBL-CYBMUJFWSA-N	-1	0	309.370	0.239	20	30		DCEDRM
COCC#CCN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O	ZINC001599137798	998073919	/nfs/dbraw/zinc/07/39/19/998073919.db2.gz	DJWZTQLBEOFZBL-UHFFFAOYSA-N	-1	0	302.286	0.803	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)CC1(C#N)CCCC1	ZINC001599150549	998288860	/nfs/dbraw/zinc/28/88/60/998288860.db2.gz	RFQCRALJYLVUQT-GFCCVEGCSA-N	-1	0	318.395	0.870	20	30		DCEDRM
COC(=O)c1cccc([C@H](C(=O)[O-])N2CCO[C@@H](C#N)C2)c1	ZINC001598998612	998803275	/nfs/dbraw/zinc/80/32/75/998803275.db2.gz	QTTIJFJSPAJKOT-QWHCGFSZSA-N	-1	0	304.302	0.823	20	30		DCEDRM
COC(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001599033572	999068144	/nfs/dbraw/zinc/06/81/44/999068144.db2.gz	CHKQBWGDKJMYET-UHFFFAOYSA-N	-1	0	312.347	0.960	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F	ZINC001469733856	1016361500	/nfs/dbraw/zinc/36/15/00/1016361500.db2.gz	VVWRAMPBTUVLKV-CABZTGNLSA-N	-1	0	323.324	0.422	20	30		DCEDRM
N#Cc1ccc([C@@H]2CN(C(=O)CCc3nnn[n-]3)CCO2)cc1	ZINC001420293626	1002178646	/nfs/dbraw/zinc/17/86/46/1002178646.db2.gz	ZVCCMWYMRAQJDJ-ZDUSSCGKSA-N	-1	0	312.333	0.604	20	30		DCEDRM
C=C(Cl)CN(C)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001403593711	1002182778	/nfs/dbraw/zinc/18/27/78/1002182778.db2.gz	UUPKXQXKXGNONH-UHFFFAOYSA-N	-1	0	317.777	0.270	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccc(CCO)cc2)c(C#N)c1=O	ZINC001421294141	1003510258	/nfs/dbraw/zinc/51/02/58/1003510258.db2.gz	YHIQRPRRNKIKOY-UHFFFAOYSA-N	-1	0	300.318	0.092	20	30		DCEDRM
COC(=O)c1ccc(Cn2c(=O)[n-]cc(C#N)c2=O)cc1Cl	ZINC001413927224	1003604545	/nfs/dbraw/zinc/60/45/45/1003604545.db2.gz	CKSFTOCFHAMWRF-UHFFFAOYSA-N	-1	0	319.704	0.897	20	30		DCEDRM
C[C@@H]1C[C@@]2(CC[C@@H](CNc3[n-]c(=O)n(C)c(=O)c3C#N)O2)CO1	ZINC001472879802	1016865680	/nfs/dbraw/zinc/86/56/80/1016865680.db2.gz	JXDBQQWSDVDJLY-FTGAXOIBSA-N	-1	0	320.349	0.084	20	30		DCEDRM
CCN(CCS(C)(=O)=O)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001473289566	1016914770	/nfs/dbraw/zinc/91/47/70/1016914770.db2.gz	LYYMWOUNJULXOV-UHFFFAOYSA-N	-1	0	323.378	0.173	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H](C)CNC(=O)c1cc(=O)[nH]c(C2CC2)n1	ZINC001416940900	1005763731	/nfs/dbraw/zinc/76/37/31/1005763731.db2.gz	WILUZIWRAZBUBM-BDAKNGLRSA-N	-1	0	317.349	0.454	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCC(C2CC2)C2CC2)c(=O)[n-]c1=O	ZINC001417658106	1005861796	/nfs/dbraw/zinc/86/17/96/1005861796.db2.gz	OCXHTYJYEJYAEO-UHFFFAOYSA-N	-1	0	316.361	0.763	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@H]2CCCCS2)c(=O)[n-]c1=O	ZINC001417689769	1005868694	/nfs/dbraw/zinc/86/86/94/1005868694.db2.gz	OSBUZMYCCXTVEW-LLVKDONJSA-N	-1	0	322.390	0.613	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@H]1CCC(=O)N(C)C1	ZINC001417883179	1005914455	/nfs/dbraw/zinc/91/44/55/1005914455.db2.gz	AWQXRUWCCSIYJC-NSHDSACASA-N	-1	0	302.334	0.660	20	30		DCEDRM
CCc1cc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n[nH]1	ZINC001452024643	1006559900	/nfs/dbraw/zinc/55/99/00/1006559900.db2.gz	DSHQYAOOJHEZAV-UHFFFAOYSA-N	-1	0	302.294	0.135	20	30		DCEDRM
Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@](C)(O)C(=O)[O-]	ZINC001574136087	1163646490	/nfs/dbraw/zinc/64/64/90/1163646490.db2.gz	ANSBANWOWWBXOE-LBPRGKRZSA-N	-1	0	316.310	0.120	20	30		DCEDRM
CS(=O)(=O)c1ccccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001452521695	1006894740	/nfs/dbraw/zinc/89/47/40/1006894740.db2.gz	ADXOJBFZWXTHQC-UHFFFAOYSA-N	-1	0	315.314	0.809	20	30		DCEDRM
N#C[C@]12CN(C(=O)c3cccc(F)c3[O-])C[C@H]1CS(=O)(=O)C2	ZINC001433568783	1008948835	/nfs/dbraw/zinc/94/88/35/1008948835.db2.gz	JMRBQFNJJKDZOA-LKFCYVNXSA-N	-1	0	324.333	0.542	20	30		DCEDRM
CC(=O)NC[C@@H]1CCCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001433627670	1009018175	/nfs/dbraw/zinc/01/81/75/1009018175.db2.gz	UIBXTTYOYJPFHK-LBPRGKRZSA-N	-1	0	316.361	0.956	20	30		DCEDRM
COC(=O)[C@@H](C)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001433637198	1009027844	/nfs/dbraw/zinc/02/78/44/1009027844.db2.gz	XNBCONXEVVXKJT-ZETCQYMHSA-N	-1	0	309.347	0.920	20	30		DCEDRM
COc1cncc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001454582264	1009205613	/nfs/dbraw/zinc/20/56/13/1009205613.db2.gz	CJIPGFZSCMNPTF-UHFFFAOYSA-N	-1	0	315.289	0.253	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](C)S(=O)[C@@H](C)C1	ZINC001433908757	1009334607	/nfs/dbraw/zinc/33/46/07/1009334607.db2.gz	ISUDYHVNBQJEQM-UWVGGRQHSA-N	-1	0	307.375	0.949	20	30		DCEDRM
C=C(Cl)CN(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001422179925	1009616227	/nfs/dbraw/zinc/61/62/27/1009616227.db2.gz	UVMQJKJRSRQHPA-UHFFFAOYSA-N	-1	0	301.734	0.039	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ncsc2C2CC2)c(=O)[n-]c1=O	ZINC001455348982	1009677192	/nfs/dbraw/zinc/67/71/92/1009677192.db2.gz	NWISYYXWJZALRL-UHFFFAOYSA-N	-1	0	317.330	0.793	20	30		DCEDRM
N#Cc1c(NC(=O)c2ncccc2[O-])[nH]nc1N1CCOCC1	ZINC001434278037	1009717727	/nfs/dbraw/zinc/71/77/27/1009717727.db2.gz	ZFQALOGGNNXMGY-UHFFFAOYSA-N	-1	0	314.305	0.471	20	30		DCEDRM
CO[C@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)[C@@](C)(CO)C1	ZINC001434283247	1009724128	/nfs/dbraw/zinc/72/41/28/1009724128.db2.gz	NLUYWLYOEUWMNK-IAQYHMDHSA-N	-1	0	305.334	0.579	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC=C(c3ccc(O)cc3)CC2)c(C#N)c1=O	ZINC001434435225	1009954139	/nfs/dbraw/zinc/95/41/39/1009954139.db2.gz	VGDDZNAJHUFWDZ-UHFFFAOYSA-N	-1	0	324.340	0.945	20	30		DCEDRM
COc1cccc(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001434455388	1009973034	/nfs/dbraw/zinc/97/30/34/1009973034.db2.gz	XPYVFMVNBWYKRD-UHFFFAOYSA-N	-1	0	300.274	0.056	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(CC3CC3)C2)o1	ZINC001434608280	1010131641	/nfs/dbraw/zinc/13/16/41/1010131641.db2.gz	SQYKWJCWORELKU-JTQLQIEISA-N	-1	0	309.347	0.440	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2cccc(CC#N)n2)cc1C(N)=O	ZINC001434650408	1010156024	/nfs/dbraw/zinc/15/60/24/1010156024.db2.gz	VTCPZAXOTZNNRS-UHFFFAOYSA-N	-1	0	319.346	0.386	20	30		DCEDRM
Cc1cnc([C@H](C)CNc2[n-]c(=O)n(C)c(=O)c2C#N)s1	ZINC001458305270	1012134373	/nfs/dbraw/zinc/13/43/73/1012134373.db2.gz	DWMGENVLAYDGCK-SSDOTTSWSA-N	-1	0	305.363	0.926	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CCOC3(CCOCC3)C2)c(C#N)c1=O	ZINC001458442548	1012181593	/nfs/dbraw/zinc/18/15/93/1012181593.db2.gz	DOLOFZKDGJBKDM-SNVBAGLBSA-N	-1	0	320.349	0.085	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)c1nc[n-]c(=O)c1Br	ZINC001556833169	1012230390	/nfs/dbraw/zinc/23/03/90/1012230390.db2.gz	RQTXPWFALDVKBP-LURJTMIESA-N	-1	0	300.112	0.059	20	30		DCEDRM
C#CCO[N-]C(=O)[C@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C	ZINC001557458065	1012279035	/nfs/dbraw/zinc/27/90/35/1012279035.db2.gz	SHOJHPKQJGJMOL-LLVKDONJSA-N	-1	0	306.322	0.883	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C=Cc2ccccc2)c(=O)[n-]c1=O	ZINC001557602393	1012286312	/nfs/dbraw/zinc/28/63/12/1012286312.db2.gz	RATLPNMIBXEXSD-VOTSOKGWSA-N	-1	0	310.313	0.650	20	30		DCEDRM
COc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c(O)c1	ZINC001559175207	1012407087	/nfs/dbraw/zinc/40/70/87/1012407087.db2.gz	HTBPLLQNLCIQOS-UHFFFAOYSA-N	-1	0	302.290	0.272	20	30		DCEDRM
C=CCC[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)OCC	ZINC001561574463	1012471319	/nfs/dbraw/zinc/47/13/19/1012471319.db2.gz	UQXWUSWPXINUGX-SECBINFHSA-N	-1	0	312.413	0.446	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCOCC1	ZINC001515627976	1017129397	/nfs/dbraw/zinc/12/93/97/1017129397.db2.gz	YQMDCGUEFYIXIY-UHFFFAOYSA-N	-1	0	304.354	0.797	20	30		DCEDRM
C=CCC1(O)CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1	ZINC001522134126	1017460602	/nfs/dbraw/zinc/46/06/02/1017460602.db2.gz	DOSNOSVTFTYSDL-UHFFFAOYSA-N	-1	0	301.302	0.793	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001494682951	1017944548	/nfs/dbraw/zinc/94/45/48/1017944548.db2.gz	ZQGXPHOFOFFDRU-MWLCHTKSSA-N	-1	0	324.381	0.639	20	30		DCEDRM
C#CCCCCCC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001499731829	1018052212	/nfs/dbraw/zinc/05/22/12/1018052212.db2.gz	WKTHJULJTGRTBO-UHFFFAOYSA-N	-1	0	305.382	0.737	20	30		DCEDRM
N#Cc1cc(C(=O)NCCC(=O)NCCC(=O)[O-])ccc1Cl	ZINC001608194496	1170613482	/nfs/dbraw/zinc/61/34/82/1170613482.db2.gz	VRJWQFFYCNDVOR-UHFFFAOYSA-N	-1	0	323.736	0.922	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NCC2(CC#N)CC2)c(C(=O)[O-])[nH]1	ZINC001610471919	1171241518	/nfs/dbraw/zinc/24/15/18/1171241518.db2.gz	ZIOGGCJBOGGNMG-UHFFFAOYSA-N	-1	0	304.306	0.770	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)CSc2n[n-]c(=S)s2)CCO1	ZINC000267066897	238218667	/nfs/dbraw/zinc/21/86/67/238218667.db2.gz	YIQGFZGIMHWFGN-ZCFIWIBFSA-N	-1	0	302.406	0.670	20	30		DCEDRM
C=CCCn1cc(C(=O)NCc2nc(C(=O)[O-])cs2)nn1	ZINC000425227978	240321649	/nfs/dbraw/zinc/32/16/49/240321649.db2.gz	AHURGOYPPWYFFP-UHFFFAOYSA-N	-1	0	307.335	0.939	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000275306300	212261825	/nfs/dbraw/zinc/26/18/25/212261825.db2.gz	VZQXUOMSQVIJSE-UHFFFAOYSA-N	-1	0	309.294	0.410	20	30		DCEDRM
N#CCNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1	ZINC000013252287	181839841	/nfs/dbraw/zinc/83/98/41/181839841.db2.gz	RBKGROYYUJJEBK-UHFFFAOYSA-N	-1	0	319.136	0.949	20	30		DCEDRM
C=C[C@@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1ccccc1	ZINC000193009623	335040465	/nfs/dbraw/zinc/04/04/65/335040465.db2.gz	NDASHOJOTCSNTL-LBPRGKRZSA-N	-1	0	324.402	0.928	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000263110518	285049039	/nfs/dbraw/zinc/04/90/39/285049039.db2.gz	DLKPNPUWZSBRKE-TUAOUCFPSA-N	-1	0	317.411	0.755	20	30		DCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]c1nc2n(c1C#N)CCS2	ZINC000331388019	533342935	/nfs/dbraw/zinc/34/29/35/533342935.db2.gz	LDDQUYHRJXJHID-ZETCQYMHSA-N	-1	0	302.381	0.637	20	30		DCEDRM
N#Cc1ccnc(N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1[N+](=O)[O-]	ZINC000285461275	131170473	/nfs/dbraw/zinc/17/04/73/131170473.db2.gz	BKJSIGIVSBCCIF-SECBINFHSA-N	-1	0	316.277	0.922	20	30		DCEDRM
CCOC[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000290998255	131534324	/nfs/dbraw/zinc/53/43/24/131534324.db2.gz	SMTWEQRVBXYIJA-LLVKDONJSA-N	-1	0	316.310	0.465	20	30		DCEDRM
N#Cc1nc(NC(=O)CCNC(=O)c2cccs2)[n-]c1C#N	ZINC000026272209	395694307	/nfs/dbraw/zinc/69/43/07/395694307.db2.gz	DKUWHVXNPCWYRY-UHFFFAOYSA-N	-1	0	314.330	0.973	20	30		DCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000048473328	395815651	/nfs/dbraw/zinc/81/56/51/395815651.db2.gz	GBGWKKPLNISWTN-UHFFFAOYSA-N	-1	0	314.319	0.890	20	30		DCEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1	ZINC000230065240	395877476	/nfs/dbraw/zinc/87/74/76/395877476.db2.gz	NUDHBBLCPXMJIL-VIFPVBQESA-N	-1	0	318.738	0.326	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1cccc(C#N)c1	ZINC000594529857	396484702	/nfs/dbraw/zinc/48/47/02/396484702.db2.gz	MZDYQFSKIKPKPQ-VHSXEESVSA-N	-1	0	303.318	0.572	20	30		DCEDRM
CCO[C@@H]1C[C@@](NS(=O)(=O)CCCC#N)(C(=O)[O-])C1(C)C	ZINC000581169632	396530886	/nfs/dbraw/zinc/53/08/86/396530886.db2.gz	NCNBDWZNZYYTIO-ZWNOBZJWSA-N	-1	0	318.395	0.868	20	30		DCEDRM
CCO[C@H]1C[C@](NS(=O)(=O)CCCC#N)(C(=O)[O-])C1(C)C	ZINC000581169628	396530970	/nfs/dbraw/zinc/53/09/70/396530970.db2.gz	NCNBDWZNZYYTIO-GWCFXTLKSA-N	-1	0	318.395	0.868	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000581432600	396554430	/nfs/dbraw/zinc/55/44/30/396554430.db2.gz	DIZIRXAEFGFRMU-HTQZYQBOSA-N	-1	0	313.326	0.411	20	30		DCEDRM
C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C[C@H]1C(=O)[O-]	ZINC000595990500	396704053	/nfs/dbraw/zinc/70/40/53/396704053.db2.gz	QCIYSJFKZNLSLH-HFAKWTLXSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1	ZINC000595992365	396704632	/nfs/dbraw/zinc/70/46/32/396704632.db2.gz	SEXAZFGHCUSIRC-MLGOLLRUSA-N	-1	0	321.377	0.852	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H](C(=O)[O-])C2CCC2)cn1	ZINC000596027594	396709796	/nfs/dbraw/zinc/70/97/96/396709796.db2.gz	SGTVKFKLETXSON-LBPRGKRZSA-N	-1	0	309.347	0.732	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCN(c3cnccc3C#N)CC2)c1[O-]	ZINC000590449284	396784885	/nfs/dbraw/zinc/78/48/85/396784885.db2.gz	HPMMEHQVPGLWTN-UHFFFAOYSA-N	-1	0	312.333	0.653	20	30		DCEDRM
C=CCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000617612516	396761886	/nfs/dbraw/zinc/76/18/86/396761886.db2.gz	ACTQJRYSYHVYKF-UHFFFAOYSA-N	-1	0	304.318	0.935	20	30		DCEDRM
CCOC[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000564552627	396842816	/nfs/dbraw/zinc/84/28/16/396842816.db2.gz	AZBZIZHHFDXZAW-QMMMGPOBSA-N	-1	0	304.349	0.388	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000591350220	396905694	/nfs/dbraw/zinc/90/56/94/396905694.db2.gz	GHMSICPDIQCBSW-VXGBXAGGSA-N	-1	0	317.411	0.899	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@H](Cn1nc(C)cc1C)C(=O)[O-]	ZINC000566045665	396916387	/nfs/dbraw/zinc/91/63/87/396916387.db2.gz	MSADKWOROXFIHC-GFCCVEGCSA-N	-1	0	315.395	0.839	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1	ZINC000591568507	396930164	/nfs/dbraw/zinc/93/01/64/396930164.db2.gz	QDLJEBBBZXGFGN-HSMVNMDESA-N	-1	0	321.377	0.708	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)[O-]	ZINC000600872711	396959794	/nfs/dbraw/zinc/95/97/94/396959794.db2.gz	JSQFEBUNKMHILY-JTQLQIEISA-N	-1	0	309.278	0.292	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CSCN1C(=O)CC)C(=O)[O-]	ZINC000630326661	396984732	/nfs/dbraw/zinc/98/47/32/396984732.db2.gz	RSWIEFDRQBEGHM-NXEZZACHSA-N	-1	0	300.380	0.834	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000619470628	397135316	/nfs/dbraw/zinc/13/53/16/397135316.db2.gz	WUFUGMFQPUERRQ-ZDUSSCGKSA-N	-1	0	306.343	0.898	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1C#N	ZINC000386708947	397289322	/nfs/dbraw/zinc/28/93/22/397289322.db2.gz	PGDKYDXJUGEMBH-JOYOIKCWSA-N	-1	0	309.347	0.745	20	30		DCEDRM
CC[C@@H]1C[C@@H](C)CN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602103305	397300684	/nfs/dbraw/zinc/30/06/84/397300684.db2.gz	AXFVKJDCCJGHDO-ZYHUDNBSSA-N	-1	0	304.350	0.858	20	30		DCEDRM
C[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H](C)S1	ZINC000602107440	397303494	/nfs/dbraw/zinc/30/34/94/397303494.db2.gz	QXLXVFPTVQEDDF-AOOOYVTPSA-N	-1	0	322.390	0.563	20	30		DCEDRM
CC1(F)CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602197114	397340644	/nfs/dbraw/zinc/34/06/44/397340644.db2.gz	XBSJFAVTJAUGAD-UHFFFAOYSA-N	-1	0	308.313	0.561	20	30		DCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCC(C)(C)C1	ZINC000602140739	397319219	/nfs/dbraw/zinc/31/92/19/397319219.db2.gz	GGVZAIPAAGFSQZ-NSHDSACASA-N	-1	0	304.350	0.858	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC([C@@H](C)C(=O)[O-])C1	ZINC000578446489	397437680	/nfs/dbraw/zinc/43/76/80/397437680.db2.gz	SPATXYVPAGHHRP-VHSXEESVSA-N	-1	0	303.384	0.365	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)CC#N)on1	ZINC000599323183	397405946	/nfs/dbraw/zinc/40/59/46/397405946.db2.gz	HFZDRMXMSQHIFU-UHFFFAOYSA-N	-1	0	301.324	0.679	20	30		DCEDRM
C=C[C@H](CO)NS(=O)(=O)c1cc(F)cc(C(=O)OC)c1F	ZINC000599350784	397416121	/nfs/dbraw/zinc/41/61/21/397416121.db2.gz	ZOBNUOAEBQHCGN-MRVPVSSYSA-N	-1	0	321.301	0.577	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000594527030	397564531	/nfs/dbraw/zinc/56/45/31/397564531.db2.gz	IAUIIOJTHBJDDN-VIFPVBQESA-N	-1	0	319.317	0.732	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2noc(C3CCCCC3)n2)c1=O	ZINC000579230516	397537263	/nfs/dbraw/zinc/53/72/63/397537263.db2.gz	NJAGEAPTZTXLIP-UHFFFAOYSA-N	-1	0	301.306	0.887	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1Cl	ZINC000126046879	158262448	/nfs/dbraw/zinc/26/24/48/158262448.db2.gz	NBQOLWIQKVCSHJ-JTQLQIEISA-N	-1	0	318.738	0.326	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)n1	ZINC000317699122	159005532	/nfs/dbraw/zinc/00/55/32/159005532.db2.gz	GKWUQTXGMJZVER-UHFFFAOYSA-N	-1	0	320.330	0.864	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2[C@@H]3COC[C@@H]32)c(F)c1	ZINC000330052555	159137823	/nfs/dbraw/zinc/13/78/23/159137823.db2.gz	PFEMEYXEUPFPQN-VROVMSAKSA-N	-1	0	300.286	0.760	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C	ZINC000263137863	298277805	/nfs/dbraw/zinc/27/78/05/298277805.db2.gz	NUXZIYJHAHJWOU-OUAUKWLOSA-N	-1	0	303.384	0.650	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1C)CC(=O)[O-]	ZINC000232107774	287064216	/nfs/dbraw/zinc/06/42/16/287064216.db2.gz	VXNRIXOSNKAVKW-LLVKDONJSA-N	-1	0	312.347	0.635	20	30		DCEDRM
CN1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1=O	ZINC000342582231	415217973	/nfs/dbraw/zinc/21/79/73/415217973.db2.gz	GMNNWRGVIFCFOB-QMMMGPOBSA-N	-1	0	315.301	0.345	20	30		DCEDRM
CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)nc1	ZINC000342596739	415222291	/nfs/dbraw/zinc/22/22/91/415222291.db2.gz	YIRAGWDPZDDKKD-UHFFFAOYSA-N	-1	0	306.303	0.707	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)c2nn(-c3ccccc3)cc2[O-])n1	ZINC000342890205	415340729	/nfs/dbraw/zinc/34/07/29/415340729.db2.gz	IBRICMUWHUJIOV-UHFFFAOYSA-N	-1	0	323.316	0.471	20	30		DCEDRM
CC(C)(C)OC(=O)N1CCN(Cc2nc(=O)[n-][nH]2)[C@H](C#N)C1	ZINC000285613130	415615954	/nfs/dbraw/zinc/61/59/54/415615954.db2.gz	VZRZEGFEJVMPLA-SECBINFHSA-N	-1	0	308.342	0.043	20	30		DCEDRM
CSCC[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287351921	415659487	/nfs/dbraw/zinc/65/94/87/415659487.db2.gz	XNVKUSAIKSMZGS-QMMMGPOBSA-N	-1	0	304.349	0.636	20	30		DCEDRM
COCCOc1cncc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC000338364036	416085545	/nfs/dbraw/zinc/08/55/45/416085545.db2.gz	BOFIJMOZSQYWCL-UHFFFAOYSA-N	-1	0	312.289	0.826	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cn2)c(C)o1	ZINC000339036068	416149126	/nfs/dbraw/zinc/14/91/26/416149126.db2.gz	SPSHCDLFMLYKIB-UHFFFAOYSA-N	-1	0	321.314	1.442	20	30		DCEDRM
Cn1nc(CN2CCN([C@H](C#N)c3ccccc3)CC2)[n-]c1=O	ZINC000329260643	416159578	/nfs/dbraw/zinc/15/95/78/416159578.db2.gz	CVIAYZWCYOBXJF-CQSZACIVSA-N	-1	0	312.377	0.491	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000342153524	416287014	/nfs/dbraw/zinc/28/70/14/416287014.db2.gz	CDGKZDQRBIDKDK-LLVKDONJSA-N	-1	0	312.391	0.973	20	30		DCEDRM
Cn1ncc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)c1C#N	ZINC000359910388	416365297	/nfs/dbraw/zinc/36/52/97/416365297.db2.gz	ZNZGXZANKBMDEU-UHFFFAOYSA-N	-1	0	311.330	0.879	20	30		DCEDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2nccnc2C#N)C1=O	ZINC000416448123	416369745	/nfs/dbraw/zinc/36/97/45/416369745.db2.gz	SVPJJJWNIPSOBS-ONGXEEELSA-N	-1	0	303.322	0.470	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000420550324	416419104	/nfs/dbraw/zinc/41/91/04/416419104.db2.gz	DQJHMAAIFZJCSG-BLLLJJGKSA-N	-1	0	324.377	0.409	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C(=O)[O-]	ZINC000422649297	416444564	/nfs/dbraw/zinc/44/45/64/416444564.db2.gz	IAYPCCCTUBIDFQ-MRVPVSSYSA-N	-1	0	305.290	0.485	20	30		DCEDRM
C#CCN(CC#CC)C(=O)C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000491553772	416605330	/nfs/dbraw/zinc/60/53/30/416605330.db2.gz	CLVVWEXZXDSIBF-UHFFFAOYSA-N	-1	0	306.362	0.479	20	30		DCEDRM
COC[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)OC	ZINC000541904233	416618535	/nfs/dbraw/zinc/61/85/35/416618535.db2.gz	MFMWFTGPMOEJOZ-JTQLQIEISA-N	-1	0	302.327	0.637	20	30		DCEDRM
CCC(CC)(CNC(=O)NCCn1cnc(C#N)n1)C(=O)[O-]	ZINC000424457310	416649033	/nfs/dbraw/zinc/64/90/33/416649033.db2.gz	YGHIUZXRODEWOL-UHFFFAOYSA-N	-1	0	308.342	0.340	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424476986	416653235	/nfs/dbraw/zinc/65/32/35/416653235.db2.gz	DRNJYJAOCHBYCW-UHFFFAOYSA-N	-1	0	300.355	0.265	20	30		DCEDRM
C=CCN1CC[C@H](N(C)S(=O)(=O)[N-]CC(F)(F)F)C1=O	ZINC000443227723	416737352	/nfs/dbraw/zinc/73/73/52/416737352.db2.gz	VLBQNQHYNXZCLV-QMMMGPOBSA-N	-1	0	315.317	0.102	20	30		DCEDRM
CC[C@H](CCNS(=O)(=O)N(CCC#N)CCOC)C(=O)[O-]	ZINC000563224742	416876330	/nfs/dbraw/zinc/87/63/30/416876330.db2.gz	DKUADVZKKVMDLJ-LLVKDONJSA-N	-1	0	321.399	0.184	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N(CCC(=O)[O-])C(C)C	ZINC000566799385	417054723	/nfs/dbraw/zinc/05/47/23/417054723.db2.gz	GKZOZWTWWUZFNG-UHFFFAOYSA-N	-1	0	321.399	0.278	20	30		DCEDRM
CCC(=O)C[C@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000568002131	417072649	/nfs/dbraw/zinc/07/26/49/417072649.db2.gz	SBRVBTHYQVNXGQ-JTQLQIEISA-N	-1	0	302.352	0.422	20	30		DCEDRM
C=CCOc1cccnc1C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000431639646	417137467	/nfs/dbraw/zinc/13/74/67/417137467.db2.gz	MNIXIHPNWNRCSN-UHFFFAOYSA-N	-1	0	302.290	1.180	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000414342012	417277364	/nfs/dbraw/zinc/27/73/64/417277364.db2.gz	WSQSKMNONZLEOK-PWSUYJOCSA-N	-1	0	314.363	0.735	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000627273821	417323585	/nfs/dbraw/zinc/32/35/85/417323585.db2.gz	LATVTIKLTIZFII-VXGBXAGGSA-N	-1	0	312.366	0.265	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N(CC(=O)[O-])Cc2ccccn2)CC1	ZINC000574044356	417478550	/nfs/dbraw/zinc/47/85/50/417478550.db2.gz	DTLCQGPOMIXYHV-UHFFFAOYSA-N	-1	0	323.374	0.992	20	30		DCEDRM
CCC[C@H](C#N)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000574015928	417478997	/nfs/dbraw/zinc/47/89/97/417478997.db2.gz	QVABIKSULCNPRE-SSDOTTSWSA-N	-1	0	303.365	0.900	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000627679051	417485663	/nfs/dbraw/zinc/48/56/63/417485663.db2.gz	GALYWQYCYXGARE-LLVKDONJSA-N	-1	0	313.379	0.510	20	30		DCEDRM
CO[C@@H](CNS(=O)(=O)c1cccc(C)c1C#N)CC(=O)[O-]	ZINC000530540795	417584252	/nfs/dbraw/zinc/58/42/52/417584252.db2.gz	CJLWPQTVGLXKMS-SNVBAGLBSA-N	-1	0	312.347	0.635	20	30		DCEDRM
C=CCn1cc(CNC(=O)C[C@@]2(C(=O)[O-])CCSC2)nn1	ZINC000644538305	417616245	/nfs/dbraw/zinc/61/62/45/417616245.db2.gz	QLOBDJYTRZLLEW-ZDUSSCGKSA-N	-1	0	310.379	0.678	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)CC[C@H]1CCCO1)C(=O)[O-]	ZINC000646046757	417861501	/nfs/dbraw/zinc/86/15/01/417861501.db2.gz	WYNHIUOGQGCJQQ-MNOVXSKESA-N	-1	0	307.368	0.131	20	30		DCEDRM
C=CCNC(=O)c1ccc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nc1	ZINC000662883190	417937182	/nfs/dbraw/zinc/93/71/82/417937182.db2.gz	JSAMQFQRRGTPCS-MLGOLLRUSA-N	-1	0	317.345	0.535	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000647482357	418013197	/nfs/dbraw/zinc/01/31/97/418013197.db2.gz	SVBCSRXRFNXBBU-NEPJUHHUSA-N	-1	0	304.302	0.783	20	30		DCEDRM
C=CCOCCNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC000663429574	418018914	/nfs/dbraw/zinc/01/89/14/418018914.db2.gz	DIBMYKVORHGVIW-UHFFFAOYSA-N	-1	0	300.336	0.569	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NCCO[C@H]1CC1(F)F)C(=O)[O-]	ZINC000656590316	418365402	/nfs/dbraw/zinc/36/54/02/418365402.db2.gz	AOYVQXCNQZKBDZ-IUCAKERBSA-N	-1	0	308.281	0.366	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ncccc2C#N)cn1C	ZINC000443143847	267403237	/nfs/dbraw/zinc/40/32/37/267403237.db2.gz	DQCZUISTHFUSLM-UHFFFAOYSA-N	-1	0	320.330	0.879	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccncn2)cc1	ZINC000492681917	268255005	/nfs/dbraw/zinc/25/50/05/268255005.db2.gz	ZDXZOCMSPSKTCZ-UTCJRWHESA-N	-1	0	314.326	0.867	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/C2CCOCC2)cn1	ZINC000492665061	268255129	/nfs/dbraw/zinc/25/51/29/268255129.db2.gz	ZBXYOAHJGJKTTP-DAFODLJHSA-N	-1	0	321.358	0.741	20	30		DCEDRM
COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccccc1C#N	ZINC000548250691	288124941	/nfs/dbraw/zinc/12/49/41/288124941.db2.gz	SRJCNIGBDFLYMY-SNVBAGLBSA-N	-1	0	312.347	0.668	20	30		DCEDRM
Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCOC[C@@H]1C#N	ZINC000273850717	300948058	/nfs/dbraw/zinc/94/80/58/300948058.db2.gz	YEEXQNRIUCJLQI-JTQLQIEISA-N	-1	0	310.331	0.606	20	30		DCEDRM
C[C@@H](CC(C)(C)NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000583938368	331476373	/nfs/dbraw/zinc/47/63/73/331476373.db2.gz	UUGFXDXXNNFDOB-UWVGGRQHSA-N	-1	0	305.400	0.944	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000582126076	332347916	/nfs/dbraw/zinc/34/79/16/332347916.db2.gz	PJIUXRSDFJAHOH-NSHDSACASA-N	-1	0	310.331	0.227	20	30		DCEDRM
CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1	ZINC000565308161	333250951	/nfs/dbraw/zinc/25/09/51/333250951.db2.gz	RQAPROYPCKSHJU-ZYHUDNBSSA-N	-1	0	303.384	0.652	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000049313569	334325005	/nfs/dbraw/zinc/32/50/05/334325005.db2.gz	PGLGNCNRVBSEHT-ZETCQYMHSA-N	-1	0	320.396	0.829	20	30		DCEDRM
CCOC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)C(C)C	ZINC000496142133	339999185	/nfs/dbraw/zinc/99/91/85/339999185.db2.gz	NABSVBSLGWRGDA-SECBINFHSA-N	-1	0	305.356	0.117	20	30		DCEDRM
C=CCn1cc(CNC(=O)N=c2nc([C@H](C)OC)[n-]s2)nn1	ZINC000425683740	337434279	/nfs/dbraw/zinc/43/42/79/337434279.db2.gz	LYJDXTPKPNBEDA-QMMMGPOBSA-N	-1	0	323.382	0.767	20	30		DCEDRM
C=C(C)COCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000420568799	337506996	/nfs/dbraw/zinc/50/69/96/337506996.db2.gz	XEGZFAZPYSLKFQ-BLLLJJGKSA-N	-1	0	324.377	0.409	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000422642921	337683302	/nfs/dbraw/zinc/68/33/02/337683302.db2.gz	HMZZNMITASKAET-UHFFFAOYSA-N	-1	0	306.318	0.984	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1	ZINC000424513439	337845295	/nfs/dbraw/zinc/84/52/95/337845295.db2.gz	XJIOYXQTGFHOKB-NOOOWODRSA-N	-1	0	307.350	0.364	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)OC	ZINC000436527083	338275094	/nfs/dbraw/zinc/27/50/94/338275094.db2.gz	BXQSGOWJRQPWAX-SNVBAGLBSA-N	-1	0	324.289	0.774	20	30		DCEDRM
C=CCOCC(=O)NCCN1c2ccccc2[N-]S1(=O)=O	ZINC000450769878	338704710	/nfs/dbraw/zinc/70/47/10/338704710.db2.gz	YILARFAZERRNFN-UHFFFAOYSA-N	-1	0	311.363	0.482	20	30		DCEDRM
CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)CCCC#N)CC1	ZINC000530143123	340780700	/nfs/dbraw/zinc/78/07/00/340780700.db2.gz	QNLTUKWKMDMUDG-UHFFFAOYSA-N	-1	0	303.384	0.101	20	30		DCEDRM
C[C@H](C#N)CNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000546254968	341159780	/nfs/dbraw/zinc/15/97/80/341159780.db2.gz	OSEJKKTWXGHRJY-SSDOTTSWSA-N	-1	0	313.291	0.731	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-]	ZINC000565890241	341541624	/nfs/dbraw/zinc/54/16/24/341541624.db2.gz	NHVAGERXTJQTHJ-JTQLQIEISA-N	-1	0	300.336	0.788	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-])CC1	ZINC000566770319	341567215	/nfs/dbraw/zinc/56/72/15/341567215.db2.gz	QUXDEMAMDXLCSQ-ZCFIWIBFSA-N	-1	0	300.258	0.615	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC000568002945	341644969	/nfs/dbraw/zinc/64/49/69/341644969.db2.gz	QVNOJYYTFNWDDN-AAEUAGOBSA-N	-1	0	317.411	0.899	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-]	ZINC000572718435	341701706	/nfs/dbraw/zinc/70/17/06/341701706.db2.gz	BPSNGYOKGWYZPF-NSHDSACASA-N	-1	0	306.384	0.209	20	30		DCEDRM
N#CCCCCS(=O)(=O)N[C@H](Cc1cncs1)C(=O)[O-]	ZINC001601065602	1159780122	/nfs/dbraw/zinc/78/01/22/1159780122.db2.gz	KINYBIBAAIBUAO-SNVBAGLBSA-N	-1	0	317.392	0.752	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	ZINC001601069445	1159780138	/nfs/dbraw/zinc/78/01/38/1159780138.db2.gz	DEAGFPMBANYHAG-QMMMGPOBSA-N	-1	0	321.255	0.224	20	30		DCEDRM
C=CCOCCCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000281384016	526738559	/nfs/dbraw/zinc/73/85/59/526738559.db2.gz	TXIYDZZRJYCKFF-LBPRGKRZSA-N	-1	0	314.382	0.701	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CN1Cc2ccccc2C1=O)C(=O)[O-]	ZINC000263005684	526786120	/nfs/dbraw/zinc/78/61/20/526786120.db2.gz	MTCXOQRSICQGND-CYBMUJFWSA-N	-1	0	318.329	0.414	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000262923845	526803570	/nfs/dbraw/zinc/80/35/70/526803570.db2.gz	GLWFMESKKLEGRY-NSHDSACASA-N	-1	0	323.305	0.779	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C[C@H]1CSCCS1)C(=O)[O-]	ZINC000263160592	526804368	/nfs/dbraw/zinc/80/43/68/526804368.db2.gz	YARBHJUDQMUXNJ-UWVGGRQHSA-N	-1	0	305.421	0.997	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C[C@@H]1CSCCS1)C(=O)[O-]	ZINC000263160595	526804783	/nfs/dbraw/zinc/80/47/83/526804783.db2.gz	YARBHJUDQMUXNJ-ZJUUUORDSA-N	-1	0	305.421	0.997	20	30		DCEDRM
C=CCC[C@H](NC(=O)c1ccc(OCC(N)=O)cc1)C(=O)[O-]	ZINC000262971236	527481679	/nfs/dbraw/zinc/48/16/79/527481679.db2.gz	SPFDPPSIWMKSQE-LBPRGKRZSA-N	-1	0	306.318	0.700	20	30		DCEDRM
CCN(CC#N)S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000273644476	527890853	/nfs/dbraw/zinc/89/08/53/527890853.db2.gz	FNZAVVIOFAVJRO-UHFFFAOYSA-N	-1	0	316.310	0.823	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000263474977	528709534	/nfs/dbraw/zinc/70/95/34/528709534.db2.gz	IYCKKLQEVRGVKX-ZYHUDNBSSA-N	-1	0	303.384	0.509	20	30		DCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCC(=O)[O-])cc1	ZINC000746375180	597006915	/nfs/dbraw/zinc/00/69/15/597006915.db2.gz	PJHGOZYTUMCXJP-UHFFFAOYSA-N	-1	0	324.358	0.145	20	30		DCEDRM
CC(C)C[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000765034746	597106730	/nfs/dbraw/zinc/10/67/30/597106730.db2.gz	JYEYBCQFEZJJAO-NJERVBSYSA-N	-1	0	323.349	0.518	20	30		DCEDRM
CN(CC(C)(C)S(C)(=O)=O)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820574283	597606492	/nfs/dbraw/zinc/60/64/92/597606492.db2.gz	MNUXQXJTPKGEEE-LBPRGKRZSA-N	-1	0	304.368	0.273	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820161872	597617421	/nfs/dbraw/zinc/61/74/21/597617421.db2.gz	UAXSMUFOCMUUFG-VQISRLSMSA-N	-1	0	323.349	0.977	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCn1nc2ccccn2c1=O	ZINC000819874674	597618581	/nfs/dbraw/zinc/61/85/81/597618581.db2.gz	OSRSFWBMUMRLOG-AWEZNQCLSA-N	-1	0	318.289	0.044	20	30		DCEDRM
Cc1cc(CN2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)on1	ZINC000820976649	597630521	/nfs/dbraw/zinc/63/05/21/597630521.db2.gz	OSMULOGTQAEMQM-HNNXBMFYSA-N	-1	0	320.349	0.632	20	30		DCEDRM
Cc1ccnc(NC(=O)CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000821130408	597643702	/nfs/dbraw/zinc/64/37/02/597643702.db2.gz	FTKQWXAOLIGSRG-OAHLLOKOSA-N	-1	0	318.333	0.792	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(N2CCCC2=O)CC1	ZINC000819811868	597643941	/nfs/dbraw/zinc/64/39/41/597643941.db2.gz	WHDFQTMBIGVVPW-OAHLLOKOSA-N	-1	0	307.350	0.604	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC1N=NC(=S)N1C1CC1	ZINC000819842933	597645621	/nfs/dbraw/zinc/64/56/21/597645621.db2.gz	WUTABRAZVMTMMR-ZDUSSCGKSA-N	-1	0	323.378	0.565	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](N2CCCC2=O)C1	ZINC000819811192	597646227	/nfs/dbraw/zinc/64/62/27/597646227.db2.gz	LMGZKDGLMCMOMR-IAQYHMDHSA-N	-1	0	307.350	0.604	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000819812254	597647093	/nfs/dbraw/zinc/64/70/93/597647093.db2.gz	ZMVJMDYALBQHIT-BLLLJJGKSA-N	-1	0	321.377	0.852	20	30		DCEDRM
COC(=O)[C@@H]1CC12CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000820653657	597647571	/nfs/dbraw/zinc/64/75/71/597647571.db2.gz	QHRZDMXJSQQHNN-HZMBPMFUSA-N	-1	0	308.334	0.793	20	30		DCEDRM
Cn1cc([C@H]2CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO2)cn1	ZINC000821287052	597654408	/nfs/dbraw/zinc/65/44/08/597654408.db2.gz	DAYJRRBLRDAUIT-RISCZKNCSA-N	-1	0	306.322	0.325	20	30		DCEDRM
Cc1nn2c(nc3ccccc3c2=O)c1=CNNCCC(=O)[O-]	ZINC000821216466	597740021	/nfs/dbraw/zinc/74/00/21/597740021.db2.gz	CHKCMODANDAKRR-UHFFFAOYSA-N	-1	0	313.317	0.882	20	30		DCEDRM
N#Cc1ccccc1N1CCCN(CC(=O)NCC(=O)[O-])CC1	ZINC000821340588	597769683	/nfs/dbraw/zinc/76/96/83/597769683.db2.gz	PFTBCWUPPAXMSC-UHFFFAOYSA-N	-1	0	316.361	0.271	20	30		DCEDRM
N#CCn1cc(NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)cn1	ZINC000821324808	598147887	/nfs/dbraw/zinc/14/78/87/598147887.db2.gz	PWVQKWQIISRQHX-UHFFFAOYSA-N	-1	0	319.321	0.105	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(-n2cncn2)cc1	ZINC000819843210	598224185	/nfs/dbraw/zinc/22/41/85/598224185.db2.gz	ZHFGEFJMKGIFOH-OAHLLOKOSA-N	-1	0	313.317	0.888	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NCc1ccccc1	ZINC000819864674	598225028	/nfs/dbraw/zinc/22/50/28/598225028.db2.gz	BBARFCFGQMMFIF-HNNXBMFYSA-N	-1	0	304.302	0.851	20	30		DCEDRM
N#Cc1nc(NC(=O)Cc2ccccc2O)[n-]c1-c1nn[nH]n1	ZINC000737703695	598285655	/nfs/dbraw/zinc/28/56/55/598285655.db2.gz	ARLBOPGSMLODFF-UHFFFAOYSA-N	-1	0	310.277	0.348	20	30		DCEDRM
C#Cc1cccc(N(CC(=O)NC)C(=O)CCNC(=O)[O-])c1	ZINC000736091506	599728228	/nfs/dbraw/zinc/72/82/28/599728228.db2.gz	XGALTCXSTLXTBL-UHFFFAOYSA-N	-1	0	303.318	0.405	20	30		DCEDRM
CC(C)C[C@@H](NC(=O)COC(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC000736417347	599791319	/nfs/dbraw/zinc/79/13/19/599791319.db2.gz	XLNWTESCYNCXJR-GFCCVEGCSA-N	-1	0	319.317	0.726	20	30		DCEDRM
N#Cc1ccc(SCC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000738434858	599938692	/nfs/dbraw/zinc/93/86/92/599938692.db2.gz	QHPCEFUOPQBZKY-LBPRGKRZSA-N	-1	0	306.343	0.962	20	30		DCEDRM
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@H](C(=O)[O-])C1	ZINC000736212197	599972355	/nfs/dbraw/zinc/97/23/55/599972355.db2.gz	RDKTUMJTTCVBQM-NEPJUHHUSA-N	-1	0	309.366	0.503	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCO1	ZINC000388099878	599994789	/nfs/dbraw/zinc/99/47/89/599994789.db2.gz	WXQBXHLMRNCVGU-GFCCVEGCSA-N	-1	0	305.290	0.906	20	30		DCEDRM
C[C@H](CN(C)C(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000736569044	599996106	/nfs/dbraw/zinc/99/61/06/599996106.db2.gz	JKXPYHBWVJSZPY-SNVBAGLBSA-N	-1	0	303.318	0.467	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CCO1	ZINC000739065880	599998324	/nfs/dbraw/zinc/99/83/24/599998324.db2.gz	DIAACAAGJOBSIB-GFCCVEGCSA-N	-1	0	317.301	0.003	20	30		DCEDRM
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736653310	600400919	/nfs/dbraw/zinc/40/09/19/600400919.db2.gz	YRGSICBMESZEPD-VIFPVBQESA-N	-1	0	323.736	0.895	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC000739075415	600402916	/nfs/dbraw/zinc/40/29/16/600402916.db2.gz	FLBOLPRPXZMWQE-LLVKDONJSA-N	-1	0	307.350	0.604	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1cc(F)cc2c1OCOC2	ZINC000739079450	600404775	/nfs/dbraw/zinc/40/47/75/600404775.db2.gz	XGKDSTXPTNLXQL-UHFFFAOYSA-N	-1	0	308.265	0.671	20	30		DCEDRM
Cc1ccc(S(C)(=O)=O)cc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000738660769	600405399	/nfs/dbraw/zinc/40/53/99/600405399.db2.gz	VWMZWTKBJURCNE-UHFFFAOYSA-N	-1	0	310.331	0.449	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000739078596	600409137	/nfs/dbraw/zinc/40/91/37/600409137.db2.gz	JVJAQDUYBVCZPB-UHFFFAOYSA-N	-1	0	308.206	0.553	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000737412174	600520310	/nfs/dbraw/zinc/52/03/10/600520310.db2.gz	JXMFJPNJGQENKS-NSHDSACASA-N	-1	0	319.383	0.032	20	30		DCEDRM
N#CCN1CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC1	ZINC000833066781	600733200	/nfs/dbraw/zinc/73/32/00/600733200.db2.gz	HQTSHSURZQPWDF-UHFFFAOYSA-N	-1	0	315.376	0.276	20	30		DCEDRM
COc1ccc(OC)c(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000586139321	600763845	/nfs/dbraw/zinc/76/38/45/600763845.db2.gz	QYLSJIBDVASEMO-UHFFFAOYSA-N	-1	0	314.319	0.303	20	30		DCEDRM
COc1ccc(Cl)c(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738014971	600796727	/nfs/dbraw/zinc/79/67/27/600796727.db2.gz	CFOLIIKCLAGMEH-UHFFFAOYSA-N	-1	0	318.738	0.947	20	30		DCEDRM
COc1ccc(C(=O)N(CC#N)CC(=O)[O-])c(OC)c1OC	ZINC000737921183	601019956	/nfs/dbraw/zinc/01/99/56/601019956.db2.gz	UMBBSQKTEDFGMC-UHFFFAOYSA-N	-1	0	308.290	0.763	20	30		DCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)COc1ccc2c(c1)OCO2	ZINC000833066577	601226877	/nfs/dbraw/zinc/22/68/77/601226877.db2.gz	CZJIRQIHUJCSOF-JTQLQIEISA-N	-1	0	308.290	0.065	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1	ZINC000833068010	601281342	/nfs/dbraw/zinc/28/13/42/601281342.db2.gz	MMPSUOYBDLSBON-UHFFFAOYSA-N	-1	0	315.289	0.195	20	30		DCEDRM
C[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCS1(=O)=O	ZINC000828414055	601318774	/nfs/dbraw/zinc/31/87/74/601318774.db2.gz	WQHGXTHJIBFJQT-GXFFZTMASA-N	-1	0	308.359	0.803	20	30		DCEDRM
C#CCNC(=O)[C@H](C)ON=C(N)COc1cccc(C(=O)[O-])c1	ZINC000825619970	601374359	/nfs/dbraw/zinc/37/43/59/601374359.db2.gz	RXGAEWBWPPRNJK-JTQLQIEISA-N	-1	0	319.317	0.400	20	30		DCEDRM
CCCCC[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)[O-]	ZINC000829346667	601383131	/nfs/dbraw/zinc/38/31/31/601383131.db2.gz	CHDPWXIAMGHUCX-SNVBAGLBSA-N	-1	0	308.338	0.401	20	30		DCEDRM
N#C[C@H]1CCC[C@@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000061890172	601476630	/nfs/dbraw/zinc/47/66/30/601476630.db2.gz	PCGLTLOFMQYXQP-MNOVXSKESA-N	-1	0	301.368	0.310	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)OCC(=O)NCCC(=O)[O-])c(F)c1	ZINC000833068834	601607775	/nfs/dbraw/zinc/60/77/75/601607775.db2.gz	MTVPDSMSKSYMKG-UHFFFAOYSA-N	-1	0	312.228	0.584	20	30		DCEDRM
N#C[C@H]1COCCN1CCCN1C(=O)CS/C1=C\C(=O)[O-]	ZINC000833062175	601644488	/nfs/dbraw/zinc/64/44/88/601644488.db2.gz	JRYHLZHKUAFCNU-OGGBREFQSA-N	-1	0	311.363	0.102	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	ZINC000825619069	601683064	/nfs/dbraw/zinc/68/30/64/601683064.db2.gz	JUUJMQDMXUTTHR-UHFFFAOYSA-N	-1	0	309.366	0.268	20	30		DCEDRM
N#Cc1cccnc1N1CCN(c2cnc(C(=O)[O-])cn2)CC1	ZINC000263459283	601929683	/nfs/dbraw/zinc/92/96/83/601929683.db2.gz	BJOCFFSFPCJTQO-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
C[C@@H](CC(=O)[O-])C(=O)OCC(=O)NCc1ccc(C#N)cc1	ZINC000827332231	602273381	/nfs/dbraw/zinc/27/33/81/602273381.db2.gz	BCANAMBOBNDHPN-JTQLQIEISA-N	-1	0	304.302	0.828	20	30		DCEDRM
Cc1nc(NC(=O)[C@@H](C)CC(=O)[O-])n(-c2ccc(C#N)cc2)n1	ZINC000833002694	602296403	/nfs/dbraw/zinc/29/64/03/602296403.db2.gz	DASSIKFKVLVAEN-VIFPVBQESA-N	-1	0	313.317	0.919	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)[C@H]2COCCN2C(=O)[O-])c1	ZINC000831132068	603021509	/nfs/dbraw/zinc/02/15/09/603021509.db2.gz	LOYIFWUIYQFSCB-GFCCVEGCSA-N	-1	0	307.281	0.692	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)[O-])cn1	ZINC000831142083	603149380	/nfs/dbraw/zinc/14/93/80/603149380.db2.gz	RHYRSIHAYYQVIE-SNVBAGLBSA-N	-1	0	310.335	0.374	20	30		DCEDRM
C#Cc1cccc(NC(=O)CNC(=O)C[C@H](C)NC(=O)[O-])c1	ZINC000823475091	603366034	/nfs/dbraw/zinc/36/60/34/603366034.db2.gz	VHBFSMVZWACBNR-JTQLQIEISA-N	-1	0	303.318	0.769	20	30		DCEDRM
N#Cc1ccc(C(=O)NCCN2CCN(C(=O)[O-])CC2)s1	ZINC000831122461	603436578	/nfs/dbraw/zinc/43/65/78/603436578.db2.gz	IGQRGRPDEOIILO-UHFFFAOYSA-N	-1	0	308.363	0.645	20	30		DCEDRM
N#CCN(CN1CC2(CN(C(=O)[O-])C2)CC1=O)C1CCCC1	ZINC000831097810	603591588	/nfs/dbraw/zinc/59/15/88/603591588.db2.gz	UYMDRAJROCNERC-UHFFFAOYSA-N	-1	0	306.366	0.924	20	30		DCEDRM
Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830846000	603592615	/nfs/dbraw/zinc/59/26/15/603592615.db2.gz	KKUILYCVDWDGFD-JOYOIKCWSA-N	-1	0	319.365	0.855	20	30		DCEDRM
CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000823597917	603599080	/nfs/dbraw/zinc/59/90/80/603599080.db2.gz	NIFSXVNGSRVVOP-ZDUSSCGKSA-N	-1	0	316.317	0.973	20	30		DCEDRM
CCN(C[C@H](C)C#N)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000827019781	603600104	/nfs/dbraw/zinc/60/01/04/603600104.db2.gz	DIOLHWSNOALKQP-VXGBXAGGSA-N	-1	0	309.370	0.525	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(NC(N)=O)cc1	ZINC000831086338	603600947	/nfs/dbraw/zinc/60/09/47/603600947.db2.gz	DJLWVKQTDKZMCU-NSHDSACASA-N	-1	0	317.305	0.505	20	30		DCEDRM
N#Cc1ccsc1N1CC[C@@H](OC(=O)CNC(=O)[O-])C1=O	ZINC000831157370	603613201	/nfs/dbraw/zinc/61/32/01/603613201.db2.gz	WPFPOQWHHULZJU-MRVPVSSYSA-N	-1	0	309.303	0.536	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1c[nH]c2ncccc12	ZINC000831081814	603700798	/nfs/dbraw/zinc/70/07/98/603700798.db2.gz	AMMGNJCNZYPMCV-NSHDSACASA-N	-1	0	313.317	0.820	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN1CCC[C@H](C)[C@H]1CNC(=O)[O-]	ZINC000823511173	603719722	/nfs/dbraw/zinc/71/97/22/603719722.db2.gz	QKSSIRCERWCCRU-WDEREUQCSA-N	-1	0	312.370	0.366	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN1CCC[C@H](C)[C@@H]1CNC(=O)[O-]	ZINC000823511171	603719893	/nfs/dbraw/zinc/71/98/93/603719893.db2.gz	QKSSIRCERWCCRU-QWRGUYRKSA-N	-1	0	312.370	0.366	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)N1CCc2ccccc21	ZINC000831091460	603726344	/nfs/dbraw/zinc/72/63/44/603726344.db2.gz	FKKJWZWSJPCSOY-CYBMUJFWSA-N	-1	0	314.345	0.763	20	30		DCEDRM
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNC(=O)[O-]	ZINC000826086724	603736889	/nfs/dbraw/zinc/73/68/89/603736889.db2.gz	BQTHVPXXKSFQLB-JTQLQIEISA-N	-1	0	318.337	0.043	20	30		DCEDRM
CN(C(=O)[O-])[C@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1	ZINC000827881167	603813911	/nfs/dbraw/zinc/81/39/11/603813911.db2.gz	AAONRLQIWISHGJ-AWEZNQCLSA-N	-1	0	316.361	0.859	20	30		DCEDRM
C[C@H](OC(=O)[C@H]1CCC[C@H]1NC(=O)[O-])C(=O)N(C)CCC#N	ZINC000825560753	603842866	/nfs/dbraw/zinc/84/28/66/603842866.db2.gz	KBVYZLOOLJOTGS-GARJFASQSA-N	-1	0	311.338	0.726	20	30		DCEDRM
N#CCc1ccc(NC(=O)Cn2nnnc2CNC(=O)[O-])cc1	ZINC000831109562	604032824	/nfs/dbraw/zinc/03/28/24/604032824.db2.gz	NAOOYPNBRZROSJ-UHFFFAOYSA-N	-1	0	315.293	0.145	20	30		DCEDRM
C[C@]1(C(=O)NCC2CCN(CC#N)CC2)CCN(C(=O)[O-])C1	ZINC000825663264	604064991	/nfs/dbraw/zinc/06/49/91/604064991.db2.gz	NDWBVRQSFXUOIE-HNNXBMFYSA-N	-1	0	308.382	0.728	20	30		DCEDRM
C[C@@]1(C(=O)NC[C@@H]2CCCN(CC#N)C2)CCN(C(=O)[O-])C1	ZINC000825662781	604065055	/nfs/dbraw/zinc/06/50/55/604065055.db2.gz	HTPISSPFYUMERP-SWLSCSKDSA-N	-1	0	308.382	0.728	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cn1ncc2ccccc21	ZINC000831087707	604072192	/nfs/dbraw/zinc/07/21/92/604072192.db2.gz	QCBSKTIFHVYUQG-GFCCVEGCSA-N	-1	0	313.317	0.751	20	30		DCEDRM
Cc1nc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c2ccccn12	ZINC000830705168	604074606	/nfs/dbraw/zinc/07/46/06/604074606.db2.gz	XQRYDIKADAUVTL-NSHDSACASA-N	-1	0	313.317	0.971	20	30		DCEDRM
CC(N=Nc1nc2[nH][nH]cc-2c(=O)n1)[C@@H]1CCCCN1C(=O)[O-]	ZINC000823532207	604087857	/nfs/dbraw/zinc/08/78/57/604087857.db2.gz	HTBLASBJQBFJHQ-VIFPVBQESA-N	-1	0	319.325	0.752	20	30		DCEDRM
C[C@@H](OC(=O)CC1(NC(=O)[O-])CCC1)C(=O)N(C)CCC#N	ZINC000825570462	604235185	/nfs/dbraw/zinc/23/51/85/604235185.db2.gz	KCYSHGJHOMKUDJ-SNVBAGLBSA-N	-1	0	311.338	0.871	20	30		DCEDRM
N#CCCNC(=O)CN1CCC(N(CC2CC2)C(=O)[O-])CC1	ZINC000831097552	604236220	/nfs/dbraw/zinc/23/62/20/604236220.db2.gz	KUYCIIDLAUWOFU-UHFFFAOYSA-N	-1	0	308.382	0.871	20	30		DCEDRM
N#Cc1cc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])ccc1F	ZINC000831113546	604284318	/nfs/dbraw/zinc/28/43/18/604284318.db2.gz	DJGDYXUAKQYUPW-PWSUYJOCSA-N	-1	0	308.265	0.854	20	30		DCEDRM
N#CCc1ccnc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831109555	604309256	/nfs/dbraw/zinc/30/92/56/604309256.db2.gz	MQOUNIDXOIMNBF-NSHDSACASA-N	-1	0	304.306	0.855	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2nnc(CCCC(=O)[O-])s2)n1	ZINC000833078054	604319929	/nfs/dbraw/zinc/31/99/29/604319929.db2.gz	BDNXCQWKBCYFQD-UHFFFAOYSA-N	-1	0	321.322	0.047	20	30		DCEDRM
Cn1ncc2c1nc(NN=Cc1ccoc1C(=O)[O-])[nH]c2=O	ZINC000833062345	604398179	/nfs/dbraw/zinc/39/81/79/604398179.db2.gz	NGYJGTMSNWNAQH-UHFFFAOYSA-N	-1	0	302.250	0.806	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCCNC(=O)c1cccnc1	ZINC000833065929	604548854	/nfs/dbraw/zinc/54/88/54/604548854.db2.gz	LFRUYXGOEJCMGZ-UHFFFAOYSA-N	-1	0	304.306	0.028	20	30		DCEDRM
C#CCSCCNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823466815	604553957	/nfs/dbraw/zinc/55/39/57/604553957.db2.gz	JDCBRAYMDGXCTP-QWRGUYRKSA-N	-1	0	315.395	0.419	20	30		DCEDRM
COCCN1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1=O	ZINC000833724568	604576496	/nfs/dbraw/zinc/57/64/96/604576496.db2.gz	NVJNKVURWZSBLZ-OAHLLOKOSA-N	-1	0	317.345	0.475	20	30		DCEDRM
C=C(C)CN(CC)C(=O)CN1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823474549	604594053	/nfs/dbraw/zinc/59/40/53/604594053.db2.gz	PUAQVAMWCHTFKU-STQMWFEESA-N	-1	0	313.398	0.768	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C2(C#N)CCOCC2)CCO1	ZINC000825295639	604722358	/nfs/dbraw/zinc/72/23/58/604722358.db2.gz	WGEVLSGDSJMPGX-QWRGUYRKSA-N	-1	0	311.338	0.190	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C2(C#N)CCOCC2)CCO1	ZINC000825295640	604722524	/nfs/dbraw/zinc/72/25/24/604722524.db2.gz	WGEVLSGDSJMPGX-WDEREUQCSA-N	-1	0	311.338	0.190	20	30		DCEDRM
C[C@@H](C(=O)NCC(=O)[O-])N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000833404788	604973255	/nfs/dbraw/zinc/97/32/55/604973255.db2.gz	PGICYXZNRIQRMG-SMDDNHRTSA-N	-1	0	317.345	0.521	20	30		DCEDRM
C[C@H](C(=O)NCC(=O)[O-])N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000833404785	604973438	/nfs/dbraw/zinc/97/34/38/604973438.db2.gz	PGICYXZNRIQRMG-BXUZGUMPSA-N	-1	0	317.345	0.521	20	30		DCEDRM
C[C@H](NC(=O)[O-])C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000825177813	604978169	/nfs/dbraw/zinc/97/81/69/604978169.db2.gz	OMVFUNXHZCNEOC-UWVGGRQHSA-N	-1	0	318.337	0.041	20	30		DCEDRM
C#CCOc1ccccc1CNCc1cn(CC(=O)[O-])nn1	ZINC000833367190	604991796	/nfs/dbraw/zinc/99/17/96/604991796.db2.gz	RYUWZLVKRUVMTK-UHFFFAOYSA-N	-1	0	300.318	0.665	20	30		DCEDRM
C#CCNS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-]	ZINC000833363812	605013724	/nfs/dbraw/zinc/01/37/24/605013724.db2.gz	AFWQEBHQKVLZGE-UHFFFAOYSA-N	-1	0	303.317	0.144	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000833370228	605093306	/nfs/dbraw/zinc/09/33/06/605093306.db2.gz	JQUMZFIGIVCEAT-NSHDSACASA-N	-1	0	320.345	0.553	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000829840347	605208377	/nfs/dbraw/zinc/20/83/77/605208377.db2.gz	YPYFBCZJQJFFAZ-LLVKDONJSA-N	-1	0	316.317	0.674	20	30		DCEDRM
N#Cc1cccc(CN2C(=O)N[C@]3(CCN(C(=O)[O-])C3)C2=O)c1	ZINC000831146196	605342482	/nfs/dbraw/zinc/34/24/82/605342482.db2.gz	KSPPPAOSJYIVLS-HNNXBMFYSA-N	-1	0	314.301	0.733	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)NCCNC(=O)[O-])c1	ZINC000833972592	605366488	/nfs/dbraw/zinc/36/64/88/605366488.db2.gz	CBTWQMHDQHVFQC-UHFFFAOYSA-N	-1	0	301.299	0.384	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)NC[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000833976791	605424972	/nfs/dbraw/zinc/42/49/72/605424972.db2.gz	QZSCIFZFWWMCMZ-CYBMUJFWSA-N	-1	0	323.374	0.978	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(F)(F)C1(O)CCC1	ZINC000833965406	605438120	/nfs/dbraw/zinc/43/81/20/605438120.db2.gz	AIRUPUMDYMEFNX-QMMMGPOBSA-N	-1	0	303.265	0.251	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)C3CN(C(=O)[O-])C3)CC2)nc1	ZINC000833974486	605515745	/nfs/dbraw/zinc/51/57/45/605515745.db2.gz	IRKGATFUXIVPKR-UHFFFAOYSA-N	-1	0	315.333	0.212	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)c1ccc(C(=O)[O-])cc1	ZINC000819720302	605523460	/nfs/dbraw/zinc/52/34/60/605523460.db2.gz	TXEZDQMBPVKZKQ-UHFFFAOYSA-N	-1	0	306.274	0.553	20	30		DCEDRM
C#CCN(Cc1ccc(NC(=O)[O-])nc1)[C@H]1CCS(=O)(=O)C1	ZINC000833786869	605535887	/nfs/dbraw/zinc/53/58/87/605535887.db2.gz	BXTUOUJSDNOHLY-LBPRGKRZSA-N	-1	0	323.374	0.794	20	30		DCEDRM
N#CCOc1ccc(CC(=O)NCC2CN(C(=O)[O-])C2)cc1	ZINC000833966904	605754455	/nfs/dbraw/zinc/75/44/55/605754455.db2.gz	MFWGSZIDRDYLQL-UHFFFAOYSA-N	-1	0	303.318	0.857	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000833721513	605758514	/nfs/dbraw/zinc/75/85/14/605758514.db2.gz	WDKSORZDLXUTNS-UKRRQHHQSA-N	-1	0	306.318	0.588	20	30		DCEDRM
C[C@@H]1CCCN(C(=O)Cn2cnc(C#N)n2)[C@H]1CNC(=O)[O-]	ZINC000825914084	605764425	/nfs/dbraw/zinc/76/44/25/605764425.db2.gz	XASPUKRBCKFZOC-ZJUUUORDSA-N	-1	0	306.326	0.044	20	30		DCEDRM
C=CCNC(=O)[C@H](C)OC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823506753	605817212	/nfs/dbraw/zinc/81/72/12/605817212.db2.gz	LJJJUODHADAYLH-UWVGGRQHSA-N	-1	0	316.379	0.706	20	30		DCEDRM
N#C[C@@H]1CSCCN1C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000833966842	605973299	/nfs/dbraw/zinc/97/32/99/605973299.db2.gz	OSLJSKNGYMBQKR-GHMZBOCLSA-N	-1	0	313.379	0.613	20	30		DCEDRM
O=C([O-])N1CCC[C@H](CN=Nc2nc3[nH][nH]cc-3c(=O)n2)C1	ZINC000834098979	606053926	/nfs/dbraw/zinc/05/39/26/606053926.db2.gz	MNXABKTWTQSOQH-SSDOTTSWSA-N	-1	0	305.298	0.220	20	30		DCEDRM
C#CCCN1CCN(C(=O)c2cnc(NC(=O)[O-])cn2)CC1	ZINC000833787449	606055447	/nfs/dbraw/zinc/05/54/47/606055447.db2.gz	PLRCYYNUZBEKKE-UHFFFAOYSA-N	-1	0	303.322	0.348	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)c2cnc(NC(=O)[O-])cn2)C1	ZINC000833966172	606066762	/nfs/dbraw/zinc/06/67/62/606066762.db2.gz	ATQHDPTXXFRDAB-JTQLQIEISA-N	-1	0	318.337	0.532	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCC(=O)NC1CCCC1	ZINC000833967847	606067281	/nfs/dbraw/zinc/06/72/81/606067281.db2.gz	SNPYPPWUATZBKG-GFCCVEGCSA-N	-1	0	322.365	0.540	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(-c2nn[nH]n2)cs1	ZINC000821691296	606461739	/nfs/dbraw/zinc/46/17/39/606461739.db2.gz	PEJUZVREOLCDRO-MRVPVSSYSA-N	-1	0	320.334	0.013	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc(-c2nn[nH]n2)cs1	ZINC000822802090	606461935	/nfs/dbraw/zinc/46/19/35/606461935.db2.gz	VISIOTUXFKHFRI-MRVPVSSYSA-N	-1	0	302.319	0.529	20	30		DCEDRM
Cc1cc(NC(=O)CCn2cnc(-c3nnn[n-]3)c2C#N)no1	ZINC000826269211	609186883	/nfs/dbraw/zinc/18/68/83/609186883.db2.gz	DZKZBYHFRVDUFI-UHFFFAOYSA-N	-1	0	313.281	0.260	20	30		DCEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1	ZINC000049418223	657459082	/nfs/dbraw/zinc/45/90/82/657459082.db2.gz	CCVCLMXZSRLSMI-UHFFFAOYSA-N	-1	0	301.353	0.767	20	30		DCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2ccc([N+](=O)[O-])c([O-])c2)c1=O	ZINC000255039840	658407369	/nfs/dbraw/zinc/40/73/69/658407369.db2.gz	SAAWVGADRCGOIY-HYXAFXHYSA-N	-1	0	317.257	0.996	20	30		DCEDRM
C=C1CC(C)(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC000972276089	658510806	/nfs/dbraw/zinc/51/08/06/658510806.db2.gz	RGQIVXDMNKVBHV-LLVKDONJSA-N	-1	0	305.382	0.899	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc2c1NC(=O)CO2	ZINC000892457880	658572606	/nfs/dbraw/zinc/57/26/06/658572606.db2.gz	QJWVOQMQFCJDQP-NSHDSACASA-N	-1	0	313.313	0.962	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893234819	659128089	/nfs/dbraw/zinc/12/80/89/659128089.db2.gz	IGWRFLVUPNIOBI-SECBINFHSA-N	-1	0	308.787	0.632	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H](C)C#N)c1[O-]	ZINC000977568001	659770260	/nfs/dbraw/zinc/77/02/60/659770260.db2.gz	FEWWIIVIBFCWOY-WCBMZHEXSA-N	-1	0	305.338	0.256	20	30		DCEDRM
COCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)c(Cl)c1	ZINC000124698219	659779056	/nfs/dbraw/zinc/77/90/56/659779056.db2.gz	MACLFVZGXDLNFT-UHFFFAOYSA-N	-1	0	302.739	0.918	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)CC[C@H]1CCCO1	ZINC000893708507	661349956	/nfs/dbraw/zinc/34/99/56/661349956.db2.gz	FRVCPMKKYKOCIN-UTUOFQBUSA-N	-1	0	303.380	0.593	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)c1[O-]	ZINC000937346741	661674684	/nfs/dbraw/zinc/67/46/84/661674684.db2.gz	CIEIGQPALLOJQV-LBPRGKRZSA-N	-1	0	316.361	0.510	20	30		DCEDRM
C[C@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000048869414	662013454	/nfs/dbraw/zinc/01/34/54/662013454.db2.gz	HXORLHHXQRJTDH-QMMMGPOBSA-N	-1	0	319.412	0.593	20	30		DCEDRM
N#Cc1nc(NC(=O)CNC(=O)c2ccc(C#N)cc2)[n-]c1C#N	ZINC000726980572	662074600	/nfs/dbraw/zinc/07/46/00/662074600.db2.gz	BCYZYUCMLDBONF-UHFFFAOYSA-N	-1	0	319.284	0.393	20	30		DCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)CCOCC2CC2)C1	ZINC000899925707	663201238	/nfs/dbraw/zinc/20/12/38/663201238.db2.gz	GNYBAROAJCJCJA-GFCCVEGCSA-N	-1	0	315.391	0.543	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1	ZINC000902060424	663383265	/nfs/dbraw/zinc/38/32/65/663383265.db2.gz	OZGKKUVIOBIAQR-CZUORRHYSA-N	-1	0	300.314	0.660	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](COC)[C@H]1CCCOC1	ZINC000905593224	663568041	/nfs/dbraw/zinc/56/80/41/663568041.db2.gz	ZWCZCNYQURIDLW-NWDGAFQWSA-N	-1	0	300.355	0.710	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)[C@H]1CCCO1	ZINC000906934268	663652725	/nfs/dbraw/zinc/65/27/25/663652725.db2.gz	IYMHWUQROPHGEU-VHSXEESVSA-N	-1	0	315.372	0.905	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)C1	ZINC000907129904	663670032	/nfs/dbraw/zinc/67/00/32/663670032.db2.gz	ZWGNSUCCNMBRRB-UHFFFAOYSA-N	-1	0	309.343	0.370	20	30		DCEDRM
N#Cc1cccc(CC(=O)N2CCSC[C@@H]2c2nnn[n-]2)c1	ZINC000907478719	663696804	/nfs/dbraw/zinc/69/68/04/663696804.db2.gz	YNONZQZCQLLIIY-GFCCVEGCSA-N	-1	0	314.374	0.931	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N[C@@H](COC)C(=O)[O-]	ZINC000908960291	663777199	/nfs/dbraw/zinc/77/71/99/663777199.db2.gz	BOWGCNRJJIJWEQ-LBPRGKRZSA-N	-1	0	306.318	0.597	20	30		DCEDRM
C=CCCOCCNC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000909118109	663781578	/nfs/dbraw/zinc/78/15/78/663781578.db2.gz	WYJWKXKNRQKROI-VXGBXAGGSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C=CCC[C@H](NC(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC)C(=O)[O-]	ZINC000909196393	663786550	/nfs/dbraw/zinc/78/65/50/663786550.db2.gz	RCDGELXBXOSWPN-WHOHXGKFSA-N	-1	0	300.355	0.897	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@](C)(O)Cc1ccccc1)C(=O)[O-]	ZINC000909772908	663800945	/nfs/dbraw/zinc/80/09/45/663800945.db2.gz	XZCCDHPKMVWZKL-BBRMVZONSA-N	-1	0	307.346	0.752	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1nnc(-c2ccccc2)n1C)C(=O)[O-]	ZINC000910051499	663836806	/nfs/dbraw/zinc/83/68/06/663836806.db2.gz	WOXRETJEZJXTLJ-GFCCVEGCSA-N	-1	0	312.329	0.617	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(F)ccc1N1CCOCC1)C(=O)[O-]	ZINC000910051010	663836940	/nfs/dbraw/zinc/83/69/40/663836940.db2.gz	DEJOYJZKFFKXFT-ZDUSSCGKSA-N	-1	0	320.320	0.869	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccnc(O[C@@H]2CCOC2)c1)C(=O)[O-]	ZINC000910054644	663837971	/nfs/dbraw/zinc/83/79/71/663837971.db2.gz	VCAXYRJOWOYAJE-VXGBXAGGSA-N	-1	0	304.302	0.456	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-]	ZINC000910050946	663840940	/nfs/dbraw/zinc/84/09/40/663840940.db2.gz	BFCFABZWUWWEET-WCQYABFASA-N	-1	0	300.314	0.632	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC000910269692	663863039	/nfs/dbraw/zinc/86/30/39/663863039.db2.gz	CPHPHWFDPBUKNQ-PSASIEDQSA-N	-1	0	312.757	0.632	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1	ZINC000911641412	664091048	/nfs/dbraw/zinc/09/10/48/664091048.db2.gz	UWTMREGUWCIWLG-KGLIPLIRSA-N	-1	0	303.314	0.749	20	30		DCEDRM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000912558506	664188499	/nfs/dbraw/zinc/18/84/99/664188499.db2.gz	OLWGCMNDZGYSAD-UHFFFAOYSA-N	-1	0	307.291	0.264	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CC=CC23CCCC3)c(=O)[n-]c1=O	ZINC000913206161	664291625	/nfs/dbraw/zinc/29/16/25/664291625.db2.gz	PODXEIIWQBQVCN-UHFFFAOYSA-N	-1	0	314.345	0.922	20	30		DCEDRM
N#Cc1cnn(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c1N	ZINC000060470772	664547794	/nfs/dbraw/zinc/54/77/94/664547794.db2.gz	YDFHNGKHRORVLJ-UHFFFAOYSA-N	-1	0	312.314	0.551	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1	ZINC000913559037	664637767	/nfs/dbraw/zinc/63/77/67/664637767.db2.gz	CMWNGVJSRKCNCY-WCQYABFASA-N	-1	0	314.345	0.949	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1	ZINC000913559673	664640934	/nfs/dbraw/zinc/64/09/34/664640934.db2.gz	NKTQUTGDZRSMOG-ZDUSSCGKSA-N	-1	0	314.345	0.950	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H]2CCC[C@H](NCC#N)[C@H]2C1	ZINC000992785963	664768602	/nfs/dbraw/zinc/76/86/02/664768602.db2.gz	JGMFDPWIUHNFTA-AVGNSLFASA-N	-1	0	315.377	0.845	20	30		DCEDRM
N#Cc1ccc(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1	ZINC000730657328	664799365	/nfs/dbraw/zinc/79/93/65/664799365.db2.gz	PGGJAMCQCZABJI-UHFFFAOYSA-N	-1	0	309.285	0.686	20	30		DCEDRM
CCS(=O)(=O)[N-]C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000732607306	664948453	/nfs/dbraw/zinc/94/84/53/664948453.db2.gz	VWVNDGSMNOOYGM-UHFFFAOYSA-N	-1	0	311.363	0.674	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])cn1C	ZINC000916869192	665097948	/nfs/dbraw/zinc/09/79/48/665097948.db2.gz	VDEQEHZHLQWMQO-LLVKDONJSA-N	-1	0	322.321	0.799	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccc(NC(N)=O)c1	ZINC000916874662	665098203	/nfs/dbraw/zinc/09/82/03/665098203.db2.gz	DPRIYMXACQAACZ-GFCCVEGCSA-N	-1	0	318.333	0.652	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc2c(c1)c(C)nn2C	ZINC000916891507	665099423	/nfs/dbraw/zinc/09/94/23/665099423.db2.gz	BUOFVKLAZZEYSW-LBPRGKRZSA-N	-1	0	315.333	0.362	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2c(c1)OCC(=O)N2	ZINC000916945173	665103892	/nfs/dbraw/zinc/10/38/92/665103892.db2.gz	JYGAVZSJMDPCDY-SNVBAGLBSA-N	-1	0	301.302	0.865	20	30		DCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1c[nH]c(C(N)=O)c1	ZINC000917422438	665132003	/nfs/dbraw/zinc/13/20/03/665132003.db2.gz	IELMAMXHXCSRTH-NSHDSACASA-N	-1	0	320.349	0.367	20	30		DCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)n(C)n1	ZINC000917516032	665135354	/nfs/dbraw/zinc/13/53/54/665135354.db2.gz	VIONOPNRSSLKSQ-UHFFFAOYSA-N	-1	0	318.358	0.860	20	30		DCEDRM
N#CCCNS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2	ZINC000447148236	666085924	/nfs/dbraw/zinc/08/59/24/666085924.db2.gz	VWNTVMZNXPPRNS-UHFFFAOYSA-N	-1	0	312.303	0.348	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2cn(-c3ccccc3)nn2)c1=O	ZINC000755511155	666842350	/nfs/dbraw/zinc/84/23/50/666842350.db2.gz	OHJDTKLQMJXLGD-UHFFFAOYSA-N	-1	0	313.346	0.698	20	30		DCEDRM
COc1ccc(C=NN2CC(=O)NC2=O)c(OCC(=O)[O-])c1	ZINC000734363830	666869309	/nfs/dbraw/zinc/86/93/09/666869309.db2.gz	QKRNRJDCLLHYBL-UHFFFAOYSA-N	-1	0	307.262	0.044	20	30		DCEDRM
COCCN(CCC#N)C(=O)c1n[n-]c2ccccc2c1=O	ZINC000118530347	666977123	/nfs/dbraw/zinc/97/71/23/666977123.db2.gz	OGQMMZDFYGSNOG-UHFFFAOYSA-N	-1	0	300.318	0.925	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)c1cccc(C)c1C#N)C(=O)[O-]	ZINC000863411411	667140709	/nfs/dbraw/zinc/14/07/09/667140709.db2.gz	XKYPSJUKUXZPKX-LLVKDONJSA-N	-1	0	310.331	0.577	20	30		DCEDRM
CC(C)OC[C@H](NS(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000863415976	667141354	/nfs/dbraw/zinc/14/13/54/667141354.db2.gz	ASHHYOTUYFXFHE-QMMMGPOBSA-N	-1	0	318.376	0.776	20	30		DCEDRM
CN(CCc1cccc(C#N)c1)C(=O)c1cnc([O-])n(C)c1=O	ZINC000863435672	667143964	/nfs/dbraw/zinc/14/39/64/667143964.db2.gz	DOXOITZZUQTYTR-UHFFFAOYSA-N	-1	0	312.329	0.672	20	30		DCEDRM
C[C@@H]1CC/C(=C\C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1	ZINC000863934423	667195095	/nfs/dbraw/zinc/19/50/95/667195095.db2.gz	JISDZHPANVCSEA-QZULDAKNSA-N	-1	0	314.345	0.950	20	30		DCEDRM
C[C@@]1(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCCCO1	ZINC000863934431	667195202	/nfs/dbraw/zinc/19/52/02/667195202.db2.gz	JJGYZNLHOYVOPX-HNNXBMFYSA-N	-1	0	318.333	0.163	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)C(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000864182838	667222230	/nfs/dbraw/zinc/22/22/30/667222230.db2.gz	QCSVUKQFUNYTDC-SECBINFHSA-N	-1	0	313.741	0.932	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-]	ZINC000864185708	667223012	/nfs/dbraw/zinc/22/30/12/667223012.db2.gz	ABTNTGHCAFMHQE-ZCFIWIBFSA-N	-1	0	316.663	0.767	20	30		DCEDRM
C=CCN(Cc1ccccc1)C(=O)C(=O)NCCOCC(=O)[O-]	ZINC000884474699	667552471	/nfs/dbraw/zinc/55/24/71/667552471.db2.gz	JNBYQEWIJPYIDZ-UHFFFAOYSA-N	-1	0	320.345	0.419	20	30		DCEDRM
Cc1csc2nc(CC(=O)N[C@@H]3CCCN(O)C3=O)cn12	ZINC000868562042	667581254	/nfs/dbraw/zinc/58/12/54/667581254.db2.gz	BVHHNOBHZAQRIL-SNVBAGLBSA-N	-1	0	308.363	0.743	20	30		DCEDRM
N#Cc1ccc(OCC(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1	ZINC000737721597	667631160	/nfs/dbraw/zinc/63/11/60/667631160.db2.gz	MQVQICLIVVMHGG-GFCCVEGCSA-N	-1	0	314.305	0.050	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn(C(F)F)c1	ZINC000870133591	667712460	/nfs/dbraw/zinc/71/24/60/667712460.db2.gz	CJZUVQGXNXSFSM-SECBINFHSA-N	-1	0	300.265	0.753	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)[C@H](CCC)C(=O)OCC	ZINC000838893092	667718711	/nfs/dbraw/zinc/71/87/11/667718711.db2.gz	UFSHAYMECJQXIE-LLVKDONJSA-N	-1	0	319.379	0.204	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)[C@@H](C)O1	ZINC000870297664	667728624	/nfs/dbraw/zinc/72/86/24/667728624.db2.gz	RWCXAOYUDAMRPG-GMTAPVOTSA-N	-1	0	300.380	0.940	20	30		DCEDRM
CS(=O)(=O)N1CCC[C@H](C(=O)[N-]Oc2cccc(C#N)c2)C1	ZINC000870691588	667752092	/nfs/dbraw/zinc/75/20/92/667752092.db2.gz	RSNHSGHIGJEFON-LBPRGKRZSA-N	-1	0	323.374	0.640	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c2ccccc2)CC1	ZINC000870830845	667764995	/nfs/dbraw/zinc/76/49/95/667764995.db2.gz	IYZOSDDQRKGCNF-LLVKDONJSA-N	-1	0	322.386	0.970	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C)CC1	ZINC000870833030	667765117	/nfs/dbraw/zinc/76/51/17/667765117.db2.gz	KHRBYYWSJSLOTE-UHFFFAOYSA-N	-1	0	302.396	0.703	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1	ZINC000870831019	667765145	/nfs/dbraw/zinc/76/51/45/667765145.db2.gz	MCNHJEWDKQUINN-SECBINFHSA-N	-1	0	302.396	0.702	20	30		DCEDRM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000743047397	667802568	/nfs/dbraw/zinc/80/25/68/667802568.db2.gz	KAQZZFAOWXKTNX-UHFFFAOYSA-N	-1	0	321.318	0.572	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000744266544	667824807	/nfs/dbraw/zinc/82/48/07/667824807.db2.gz	YHIYILTUACYQKQ-UHFFFAOYSA-N	-1	0	322.264	0.945	20	30		DCEDRM
N#Cc1cccc(OCC(=O)NCCCc2n[nH]c(=O)[n-]2)c1	ZINC000748383965	667926389	/nfs/dbraw/zinc/92/63/89/667926389.db2.gz	ZPTVYCDKCSUJMW-UHFFFAOYSA-N	-1	0	301.306	0.510	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](CO)C2CC2)c(F)c1	ZINC000751421424	668001223	/nfs/dbraw/zinc/00/12/23/668001223.db2.gz	DQBXTDORZNAYAP-LLVKDONJSA-N	-1	0	302.302	0.886	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC#N)c2)c(C)o1	ZINC000754748827	668050249	/nfs/dbraw/zinc/05/02/49/668050249.db2.gz	MPBLBMFPTSLAHY-UHFFFAOYSA-N	-1	0	324.318	0.896	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)C(C)(CO)CO)n1	ZINC000754866716	668052100	/nfs/dbraw/zinc/05/21/00/668052100.db2.gz	LPFQSQLGTILXSM-VIFPVBQESA-N	-1	0	312.347	0.162	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2cn3cccc(F)c3n2)c1=O	ZINC000755509997	668061625	/nfs/dbraw/zinc/06/16/25/668061625.db2.gz	BIBULQMJHJAGMX-UHFFFAOYSA-N	-1	0	304.310	0.904	20	30		DCEDRM
CC(C)N1C(=O)CC[C@H]1C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000873511408	668087839	/nfs/dbraw/zinc/08/78/39/668087839.db2.gz	FNSIHMYZEWBJQI-MNOVXSKESA-N	-1	0	302.334	0.711	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000756502477	668091378	/nfs/dbraw/zinc/09/13/78/668091378.db2.gz	DMAFEUCHFQUSSQ-UHFFFAOYSA-N	-1	0	303.286	0.810	20	30		DCEDRM
NC(=O)c1ccc(N=NCc2cc([O-])ccc2[N+](=O)[O-])nn1	ZINC000756843030	668103055	/nfs/dbraw/zinc/10/30/55/668103055.db2.gz	ALEQQMCSIVKJKV-UHFFFAOYSA-N	-1	0	302.250	0.635	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc2c1N(C)C(=O)CO2	ZINC000890357956	668118753	/nfs/dbraw/zinc/11/87/53/668118753.db2.gz	DWILLOCEHGUJDW-SECBINFHSA-N	-1	0	319.317	0.603	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	ZINC000874427647	668185497	/nfs/dbraw/zinc/18/54/97/668185497.db2.gz	YARAZTGZULPXOM-HAQNSBGRSA-N	-1	0	307.350	0.021	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1ccc(OC)nc1	ZINC000759833390	668241623	/nfs/dbraw/zinc/24/16/23/668241623.db2.gz	NSTXVNZHFMUZDB-UHFFFAOYSA-N	-1	0	314.363	0.878	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)CCc1nnc[nH]1	ZINC000759858505	668243193	/nfs/dbraw/zinc/24/31/93/668243193.db2.gz	SSVIEDCWOVXGGI-UHFFFAOYSA-N	-1	0	319.346	0.423	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)c1cncnc1	ZINC000761109105	668305479	/nfs/dbraw/zinc/30/54/79/668305479.db2.gz	VGOWVFTVNZXOEO-UHFFFAOYSA-N	-1	0	302.315	0.775	20	30		DCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cc1	ZINC000762129802	668347819	/nfs/dbraw/zinc/34/78/19/668347819.db2.gz	FEIPRRBEUPFVNS-GFCCVEGCSA-N	-1	0	323.370	0.795	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12	ZINC000763034191	668392708	/nfs/dbraw/zinc/39/27/08/668392708.db2.gz	QXHIIZUBIYULMO-KCJUWKMLSA-N	-1	0	304.393	0.072	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1COc2cc(OC)ccc2C1	ZINC000763032536	668393039	/nfs/dbraw/zinc/39/30/39/668393039.db2.gz	AWJSFKFYEDNCQQ-LLVKDONJSA-N	-1	0	311.359	0.878	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000927219213	668455655	/nfs/dbraw/zinc/45/56/55/668455655.db2.gz	BHQQAPIMVWEJCO-UHFFFAOYSA-N	-1	0	317.349	0.067	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cncc(COC)c1	ZINC000765587089	668500774	/nfs/dbraw/zinc/50/07/74/668500774.db2.gz	LCBBZVUCNDDFTK-ZDUSSCGKSA-N	-1	0	305.334	0.703	20	30		DCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1(C#N)CCOCC1	ZINC000766004421	668519094	/nfs/dbraw/zinc/51/90/94/668519094.db2.gz	GEKQZBVKJJGQGB-VIFPVBQESA-N	-1	0	321.299	0.878	20	30		DCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)nn1	ZINC000766612782	668539709	/nfs/dbraw/zinc/53/97/09/668539709.db2.gz	CWEVUKPQDFKUOR-GFCCVEGCSA-N	-1	0	321.381	0.942	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C1CCOCC1	ZINC000767008700	668556713	/nfs/dbraw/zinc/55/67/13/668556713.db2.gz	IBRHEUCWEHKBIY-UHFFFAOYSA-N	-1	0	324.358	0.798	20	30		DCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000767991958	668595469	/nfs/dbraw/zinc/59/54/69/668595469.db2.gz	DFBDLBBRQZALIG-UHFFFAOYSA-N	-1	0	311.319	0.988	20	30		DCEDRM
CNC(=O)CNC(=S)NN=Cc1cc(Cl)cc(F)c1[O-]	ZINC000768361652	668605855	/nfs/dbraw/zinc/60/58/55/668605855.db2.gz	GUXXNMRPLPVMGH-UHFFFAOYSA-N	-1	0	318.761	0.729	20	30		DCEDRM
CN1C(=O)CN(N=Cc2cccc(OCCC(=O)[O-])c2)C1=O	ZINC000768380607	668606834	/nfs/dbraw/zinc/60/68/34/668606834.db2.gz	VPRJLFJSOYNQQU-UHFFFAOYSA-N	-1	0	305.290	0.768	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(S(=O)(=O)C(C)C)c1	ZINC000770845303	668719365	/nfs/dbraw/zinc/71/93/65/668719365.db2.gz	AMJMBTULTTVBPK-GFCCVEGCSA-N	-1	0	308.359	0.937	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CN1Cc2ccccc2C1=O	ZINC000770875504	668721519	/nfs/dbraw/zinc/72/15/19/668721519.db2.gz	AWPJOKRTRSGFDK-ZDUSSCGKSA-N	-1	0	322.324	0.968	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cnc3c(c2)NC(=O)CO3)[n-]c1C#N	ZINC000771318200	668737619	/nfs/dbraw/zinc/73/76/19/668737619.db2.gz	XQXDEOUPBVYCEM-UHFFFAOYSA-N	-1	0	309.245	0.131	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)CCCC	ZINC000772717182	668782209	/nfs/dbraw/zinc/78/22/09/668782209.db2.gz	FFTLEKYLGHRFEB-SNVBAGLBSA-N	-1	0	320.436	0.710	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1	ZINC000772721440	668782664	/nfs/dbraw/zinc/78/26/64/668782664.db2.gz	OVGMVDPFIAZGRO-UHFFFAOYSA-N	-1	0	311.363	0.164	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)[N-]OCCOCC	ZINC000773618240	668809614	/nfs/dbraw/zinc/80/96/14/668809614.db2.gz	JNMDYSQJEGQTQO-UHFFFAOYSA-N	-1	0	324.308	0.861	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)[N-]OC1CCOCC1	ZINC000773638745	668809984	/nfs/dbraw/zinc/80/99/84/668809984.db2.gz	QBQFPHPGSZIGJL-UHFFFAOYSA-N	-1	0	318.329	0.864	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1coc(OCC)n1	ZINC000773967140	668818487	/nfs/dbraw/zinc/81/84/87/668818487.db2.gz	JVZMRZHHRKYNHS-JTQLQIEISA-N	-1	0	309.322	0.939	20	30		DCEDRM
COc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)nn1C	ZINC000773968082	668818518	/nfs/dbraw/zinc/81/85/18/668818518.db2.gz	DAOXXPQYCDHZSZ-LLVKDONJSA-N	-1	0	322.365	0.682	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)CCOCC	ZINC000775239808	668859740	/nfs/dbraw/zinc/85/97/40/668859740.db2.gz	GDGMHDOQRZSRSC-UHFFFAOYSA-N	-1	0	314.363	0.743	20	30		DCEDRM
C[C@@H](NC(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776117480	668871187	/nfs/dbraw/zinc/87/11/87/668871187.db2.gz	RDOHZSBEZQIKEO-LLVKDONJSA-N	-1	0	323.374	0.555	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cccc(NC(N)=O)c1	ZINC000776118244	668871241	/nfs/dbraw/zinc/87/12/41/668871241.db2.gz	BVTJDKIDFIXDFJ-UHFFFAOYSA-N	-1	0	310.335	0.541	20	30		DCEDRM
C=CCC[C@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000776596014	668878978	/nfs/dbraw/zinc/87/89/78/668878978.db2.gz	BZKQQZBYGMOXTE-VIFPVBQESA-N	-1	0	311.319	0.921	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000776684504	668880069	/nfs/dbraw/zinc/88/00/69/668880069.db2.gz	ZHRATMVOCOILHE-LLVKDONJSA-N	-1	0	303.384	0.653	20	30		DCEDRM
O=[N+]([O-])c1ccc(C=NNC2CCS(=O)(=O)CC2)cc1[O-]	ZINC000776792127	668881433	/nfs/dbraw/zinc/88/14/33/668881433.db2.gz	IPOKWOSNWZGTKP-UHFFFAOYSA-N	-1	0	313.335	0.801	20	30		DCEDRM
COC[C@H](C)NC(=S)NN=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000777423094	668887306	/nfs/dbraw/zinc/88/73/06/668887306.db2.gz	CCIYVFKQTRXBCV-QMMMGPOBSA-N	-1	0	311.363	0.923	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC000777907775	668892792	/nfs/dbraw/zinc/89/27/92/668892792.db2.gz	QEXHOHIWPPGYBS-LBPRGKRZSA-N	-1	0	311.363	0.438	20	30		DCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(F)c1C#N	ZINC000778640318	668902242	/nfs/dbraw/zinc/90/22/42/668902242.db2.gz	KJMABSQOIBJQHI-MRVPVSSYSA-N	-1	0	300.311	0.792	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cnn(CC)c1	ZINC000778693499	668902830	/nfs/dbraw/zinc/90/28/30/668902830.db2.gz	XAHHTNUWOUWOQB-UHFFFAOYSA-N	-1	0	323.378	0.549	20	30		DCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1ccc(OCC)nc1	ZINC000781871652	669067497	/nfs/dbraw/zinc/06/74/97/669067497.db2.gz	YEEUGSZLTZVQQC-UHFFFAOYSA-N	-1	0	314.363	0.878	20	30		DCEDRM
C[C@@H]1OCC[C@@H]1C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000784494076	669207318	/nfs/dbraw/zinc/20/73/18/669207318.db2.gz	MEODCQFZKIWUCF-KWQFWETISA-N	-1	0	302.290	0.775	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)CO1	ZINC000784555417	669210815	/nfs/dbraw/zinc/21/08/15/669210815.db2.gz	MOYYKVOHCABKQN-DTWKUNHWSA-N	-1	0	312.322	0.927	20	30		DCEDRM
COc1cccc(CS(=O)(=O)[N-]C(=O)CSCC#N)c1	ZINC000785128246	669237576	/nfs/dbraw/zinc/23/75/76/669237576.db2.gz	FWMNQGOTVWROAA-UHFFFAOYSA-N	-1	0	314.388	0.898	20	30		DCEDRM
COC[C@@H](C#N)OC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000785157930	669239241	/nfs/dbraw/zinc/23/92/41/669239241.db2.gz	DCDGTSLLRSFRJX-SECBINFHSA-N	-1	0	316.310	0.893	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1	ZINC000786961340	669344674	/nfs/dbraw/zinc/34/46/74/669344674.db2.gz	MHDOJMNWFVCUFG-GMTAPVOTSA-N	-1	0	302.334	0.603	20	30		DCEDRM
C#CC[C@H]([N-]S(=O)(=O)C[C@H]1C(C)(C)C1(F)F)C(=O)OC	ZINC000882253633	669487239	/nfs/dbraw/zinc/48/72/39/669487239.db2.gz	YNERTVIZSGXWQB-IUCAKERBSA-N	-1	0	309.334	0.762	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1	ZINC000791110962	669594221	/nfs/dbraw/zinc/59/42/21/669594221.db2.gz	ILBKAACHWWDABH-UHFFFAOYSA-N	-1	0	321.358	0.299	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc(OC)c(Cl)c1	ZINC000793123778	669702147	/nfs/dbraw/zinc/70/21/47/669702147.db2.gz	JJULXCNXIDSSJD-VIFPVBQESA-N	-1	0	311.725	0.829	20	30		DCEDRM
CN(CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)[C@H]1CCSC1	ZINC000793201173	669707712	/nfs/dbraw/zinc/70/77/12/669707712.db2.gz	ISZHAGQVFFARBL-JTQLQIEISA-N	-1	0	317.436	0.173	20	30		DCEDRM
COc1cccc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000793194610	669706787	/nfs/dbraw/zinc/70/67/87/669706787.db2.gz	RIAOHUASPLRFKR-UHFFFAOYSA-N	-1	0	308.359	0.987	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)CC1	ZINC000793212291	669708208	/nfs/dbraw/zinc/70/82/08/669708208.db2.gz	MMNITLYRBNRDGB-ZJUUUORDSA-N	-1	0	313.379	0.028	20	30		DCEDRM
Cn1ccc(CCC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC000796712942	669940325	/nfs/dbraw/zinc/94/03/25/669940325.db2.gz	OUFRZAULFKYLMW-UHFFFAOYSA-N	-1	0	318.358	0.729	20	30		DCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796878773	669945643	/nfs/dbraw/zinc/94/56/43/669945643.db2.gz	QWAWKAJINNHWNU-SECBINFHSA-N	-1	0	320.330	0.554	20	30		DCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)nnn1C(C)C	ZINC000797062269	669954486	/nfs/dbraw/zinc/95/44/86/669954486.db2.gz	NSCHSZVRWXIOQT-UHFFFAOYSA-N	-1	0	311.367	0.531	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc2c1O[C@H](C)C(=O)N2	ZINC000798203062	669992020	/nfs/dbraw/zinc/99/20/20/669992020.db2.gz	RSMNRWNQEKGNHE-SECBINFHSA-N	-1	0	322.342	0.489	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(OC(F)F)n(C)n1	ZINC000798202443	669992036	/nfs/dbraw/zinc/99/20/36/669992036.db2.gz	FHZJZARNHFMQNB-UHFFFAOYSA-N	-1	0	307.278	0.104	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000798202660	669992147	/nfs/dbraw/zinc/99/21/47/669992147.db2.gz	JGLANBYHKVOUNV-LLVKDONJSA-N	-1	0	324.358	0.097	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)c1cnnn1C	ZINC000798830003	670026657	/nfs/dbraw/zinc/02/66/57/670026657.db2.gz	SCVMLAUKQTYMLG-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
COC(=O)c1cc(C=NNc2nnc(C)c(=O)[n-]2)n(C)c1C	ZINC000800806537	670100452	/nfs/dbraw/zinc/10/04/52/670100452.db2.gz	HUZHGDMWNTVWNX-UHFFFAOYSA-N	-1	0	304.310	0.765	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC000951865649	670393682	/nfs/dbraw/zinc/39/36/82/670393682.db2.gz	WMMLLXRULLVFDQ-WPRPVWTQSA-N	-1	0	305.338	0.304	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)cc([N+](=O)[O-])c1	ZINC000194376321	670428492	/nfs/dbraw/zinc/42/84/92/670428492.db2.gz	PJPMWJDSMIBNSH-GFCCVEGCSA-N	-1	0	305.290	0.988	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnn(CCF)c1	ZINC000808978688	670432893	/nfs/dbraw/zinc/43/28/93/670432893.db2.gz	POEJQYHUHJNZGS-GFCCVEGCSA-N	-1	0	310.329	0.718	20	30		DCEDRM
C#CCCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000810449457	670486222	/nfs/dbraw/zinc/48/62/22/670486222.db2.gz	QVUFRXLSLGSFAN-UHFFFAOYSA-N	-1	0	316.329	0.773	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cccc(C#N)n1	ZINC000810527189	670488293	/nfs/dbraw/zinc/48/82/93/670488293.db2.gz	JHZUNDJUJFTBIM-LBPRGKRZSA-N	-1	0	300.318	0.819	20	30		DCEDRM
COc1cccnc1CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000810669433	670493202	/nfs/dbraw/zinc/49/32/02/670493202.db2.gz	TVKUHDMLMHRBTG-UHFFFAOYSA-N	-1	0	309.347	0.382	20	30		DCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)cnn1C	ZINC000195496307	670495516	/nfs/dbraw/zinc/49/55/16/670495516.db2.gz	SGGCOYKCTKAROA-UHFFFAOYSA-N	-1	0	318.358	0.860	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)cc1F	ZINC000810772862	670496745	/nfs/dbraw/zinc/49/67/45/670496745.db2.gz	HZKKTEKCNRAETO-UHFFFAOYSA-N	-1	0	313.306	0.695	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc2cnn(CC)c2nc1C	ZINC000810773642	670496928	/nfs/dbraw/zinc/49/69/28/670496928.db2.gz	JSGSCKDFOYCODK-UHFFFAOYSA-N	-1	0	320.374	0.843	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccccc1C(=O)OC	ZINC000810775353	670496952	/nfs/dbraw/zinc/49/69/52/670496952.db2.gz	BUGJAISVOILTCO-UHFFFAOYSA-N	-1	0	309.343	0.485	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)c(F)c1	ZINC000810773394	670497009	/nfs/dbraw/zinc/49/70/09/670497009.db2.gz	CNIOQULMZHIIIN-UHFFFAOYSA-N	-1	0	313.306	0.695	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1csc(S(C)(=O)=O)c1	ZINC000810774373	670497031	/nfs/dbraw/zinc/49/70/31/670497031.db2.gz	YDUJFGQMZGMEOL-UHFFFAOYSA-N	-1	0	321.401	0.235	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=O)n2C	ZINC000810778148	670497143	/nfs/dbraw/zinc/49/71/43/670497143.db2.gz	VWHBCCRBOLKWSK-UHFFFAOYSA-N	-1	0	307.331	0.362	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1C#N	ZINC000810780459	670497405	/nfs/dbraw/zinc/49/74/05/670497405.db2.gz	DHKGXYIADYFFPA-LLVKDONJSA-N	-1	0	306.343	0.795	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(C)[nH]c(C(=O)OC)c1C	ZINC000810779484	670497433	/nfs/dbraw/zinc/49/74/33/670497433.db2.gz	ORUPCIAIRVMTHS-UHFFFAOYSA-N	-1	0	312.347	0.501	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc2c([nH]c1=O)CCCC2=O	ZINC000810780020	670497554	/nfs/dbraw/zinc/49/75/54/670497554.db2.gz	KSGXKTILMPHWDH-UHFFFAOYSA-N	-1	0	322.342	0.389	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21	ZINC000810778671	670497572	/nfs/dbraw/zinc/49/75/72/670497572.db2.gz	IVAXDGZTEUZCOX-NSHDSACASA-N	-1	0	324.333	0.721	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCNC(=O)C(C)(C)C	ZINC000810782803	670497788	/nfs/dbraw/zinc/49/77/88/670497788.db2.gz	XWVLUHXVWIJWCQ-UHFFFAOYSA-N	-1	0	302.396	0.398	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(Br)nn1C	ZINC000810785447	670498085	/nfs/dbraw/zinc/49/80/85/670498085.db2.gz	HVTSXSBEGLTACV-UHFFFAOYSA-N	-1	0	320.168	0.266	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)CC1	ZINC000810980487	670501760	/nfs/dbraw/zinc/50/17/60/670501760.db2.gz	AFFAXNJJFOTPHW-LLVKDONJSA-N	-1	0	303.380	0.737	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2(C(=O)NC)CCC2)CC1	ZINC000810982311	670501883	/nfs/dbraw/zinc/50/18/83/670501883.db2.gz	NVVFWTFTVGUVGH-UHFFFAOYSA-N	-1	0	300.380	0.457	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1scc2c1OCCO2	ZINC000847699188	670592350	/nfs/dbraw/zinc/59/23/50/670592350.db2.gz	NIPRZAJZVQOBIX-UHFFFAOYSA-N	-1	0	301.345	0.602	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1	ZINC000812786678	670596926	/nfs/dbraw/zinc/59/69/26/670596926.db2.gz	OWOGICCLXYRADZ-TZMCWYRMSA-N	-1	0	318.377	0.789	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ncn(C(C)(C)C)n1	ZINC000813058821	670609150	/nfs/dbraw/zinc/60/91/50/670609150.db2.gz	MPXXSIQBMKLOOP-NSHDSACASA-N	-1	0	321.381	0.898	20	30		DCEDRM
Cc1ncc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)s1	ZINC000813982328	670667526	/nfs/dbraw/zinc/66/75/26/670667526.db2.gz	WKOOOVVBGZTLGH-UHFFFAOYSA-N	-1	0	308.344	0.837	20	30		DCEDRM
O=C1[N-]C(=O)C(=NNCc2ccc(Cl)cc2Cl)C(=O)N1	ZINC000814217815	670681030	/nfs/dbraw/zinc/68/10/30/670681030.db2.gz	OCYBBPHBDPRBFN-UHFFFAOYSA-N	-1	0	315.116	0.805	20	30		DCEDRM
COc1cc(C=Nn2c(=O)[n-][nH]c2=O)cc(OC)c1OC(C)=O	ZINC000814233570	670682932	/nfs/dbraw/zinc/68/29/32/670682932.db2.gz	WKVWENHXXUSVEZ-UHFFFAOYSA-N	-1	0	322.277	0.514	20	30		DCEDRM
CC(=NN[C@H]1CCS(=O)(=O)C1)c1csc(C(=O)[O-])c1	ZINC000814680268	670701792	/nfs/dbraw/zinc/70/17/92/670701792.db2.gz	IQWINOZQACSWFV-VIFPVBQESA-N	-1	0	302.377	0.947	20	30		DCEDRM
CO[C@@H]1CS(=O)(=O)C[C@@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000849170829	670763004	/nfs/dbraw/zinc/76/30/04/670763004.db2.gz	VHAMICFIWYFNKO-CQKFESKLSA-N	-1	0	314.319	0.531	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCCO2	ZINC000849219156	670765863	/nfs/dbraw/zinc/76/58/63/670765863.db2.gz	KLZFFANEVWWXMS-UHFFFAOYSA-N	-1	0	309.343	0.720	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)nc1C	ZINC000849218901	670765885	/nfs/dbraw/zinc/76/58/85/670765885.db2.gz	BFZNRDUETXMTDH-UHFFFAOYSA-N	-1	0	302.739	0.752	20	30		DCEDRM
C=CCCO[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1	ZINC000856030029	670776942	/nfs/dbraw/zinc/77/69/42/670776942.db2.gz	MSPKLSWHTASNRT-ZDUSSCGKSA-N	-1	0	320.324	0.870	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1	ZINC000856032726	670778187	/nfs/dbraw/zinc/77/81/87/670778187.db2.gz	UMBFAQSXQQXLLQ-LBPRGKRZSA-N	-1	0	320.349	0.801	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2ncoc2C2CC2)c1	ZINC000816094968	670786082	/nfs/dbraw/zinc/78/60/82/670786082.db2.gz	KZRNNSSZMGWZPS-UHFFFAOYSA-N	-1	0	318.314	0.937	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ncc(C#N)cc1C	ZINC000816094969	670786611	/nfs/dbraw/zinc/78/66/11/670786611.db2.gz	KZTXZXWLCOAOEK-UHFFFAOYSA-N	-1	0	319.346	0.422	20	30		DCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000850732352	670936832	/nfs/dbraw/zinc/93/68/32/670936832.db2.gz	DKLNFPLXFXPSGD-SECBINFHSA-N	-1	0	310.331	0.812	20	30		DCEDRM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccn2nnnc2c1	ZINC000850757213	670938644	/nfs/dbraw/zinc/93/86/44/670938644.db2.gz	HQYCXEADKCFPMN-GFCCVEGCSA-N	-1	0	312.333	0.896	20	30		DCEDRM
CN(OCC(F)(F)F)C(=O)C[N-]C(=O)C(F)(F)C(F)F	ZINC000857744571	670943824	/nfs/dbraw/zinc/94/38/24/670943824.db2.gz	GADMRBOMIWWAAJ-UHFFFAOYSA-N	-1	0	314.157	0.955	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1	ZINC000817883600	670950038	/nfs/dbraw/zinc/95/00/38/670950038.db2.gz	VNORDWVZDIACFM-CYBMUJFWSA-N	-1	0	316.313	0.713	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CCCCOC	ZINC000850952323	670957410	/nfs/dbraw/zinc/95/74/10/670957410.db2.gz	OQMQDTABXWPJCD-GFCCVEGCSA-N	-1	0	320.411	0.330	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])[C@@H]1CCCO1	ZINC000818657533	671042397	/nfs/dbraw/zinc/04/23/97/671042397.db2.gz	HHTPMOHGPOZBSV-AGIUHOORSA-N	-1	0	324.377	0.147	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000820060105	671160636	/nfs/dbraw/zinc/16/06/36/671160636.db2.gz	UKBDGDKDYKZORM-JTQLQIEISA-N	-1	0	317.370	0.336	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCN(C(=O)c2ccccc2)C1	ZINC000860630823	671225733	/nfs/dbraw/zinc/22/57/33/671225733.db2.gz	FORJCHLLKFDHJG-ZDUSSCGKSA-N	-1	0	322.386	0.781	20	30		DCEDRM
CC[C@H](NN=CC1(S(=O)(=O)NC(C)(C)C)CC1)C(=O)[O-]	ZINC000853348484	671228427	/nfs/dbraw/zinc/22/84/27/671228427.db2.gz	IWQOVGONXVHDEJ-VIFPVBQESA-N	-1	0	305.400	0.676	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cn(C3CC3)nn2)CCC1	ZINC000860671753	671229016	/nfs/dbraw/zinc/22/90/16/671229016.db2.gz	IYWQAECFEASCJH-UHFFFAOYSA-N	-1	0	309.351	0.366	20	30		DCEDRM
C#CCOCCNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC000860772286	671237333	/nfs/dbraw/zinc/23/73/33/671237333.db2.gz	USSPOABGGOSDNK-UHFFFAOYSA-N	-1	0	318.251	0.838	20	30		DCEDRM
COC(=O)c1ccc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)n1C	ZINC000821040322	671247883	/nfs/dbraw/zinc/24/78/83/671247883.db2.gz	XSEHQEQCYRVXGK-ALCCZGGFSA-N	-1	0	317.301	0.507	20	30		DCEDRM
Cc1c(CC(=O)[N-]S(=O)(=O)CCC#N)cccc1[N+](=O)[O-]	ZINC000821582449	671284248	/nfs/dbraw/zinc/28/42/48/671284248.db2.gz	NTMDRXLIFXLAPC-UHFFFAOYSA-N	-1	0	311.319	0.805	20	30		DCEDRM
CC1CCC(NC(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)CC1	ZINC000824919318	671443852	/nfs/dbraw/zinc/44/38/52/671443852.db2.gz	TVSDKLMOILBPFI-UHFFFAOYSA-N	-1	0	314.353	0.630	20	30		DCEDRM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CSCC#N)C1	ZINC000830832861	671643148	/nfs/dbraw/zinc/64/31/48/671643148.db2.gz	JVBRAOXHJUUPPZ-SNVBAGLBSA-N	-1	0	309.313	0.913	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000831991366	671695506	/nfs/dbraw/zinc/69/55/06/671695506.db2.gz	KWHAYJURUDNCDB-UHFFFAOYSA-N	-1	0	311.319	0.259	20	30		DCEDRM
C=CC[C@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1	ZINC000867101324	671750662	/nfs/dbraw/zinc/75/06/62/671750662.db2.gz	SUIADWODPGQMLC-WYRIXSBYSA-N	-1	0	318.420	0.915	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000835272971	671792173	/nfs/dbraw/zinc/79/21/73/671792173.db2.gz	ZRNPJKFKFMCNIT-SECBINFHSA-N	-1	0	311.315	0.259	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000835331507	671793664	/nfs/dbraw/zinc/79/36/64/671793664.db2.gz	JAQBVSSNZCANOB-UHFFFAOYSA-N	-1	0	319.346	0.158	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1C	ZINC000835405505	671795622	/nfs/dbraw/zinc/79/56/22/671795622.db2.gz	SDVHRCSAMQPDSB-NSHDSACASA-N	-1	0	311.359	0.847	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)cn1	ZINC000835408308	671795630	/nfs/dbraw/zinc/79/56/30/671795630.db2.gz	GPPKFMYZQCFVNQ-UHFFFAOYSA-N	-1	0	305.262	0.656	20	30		DCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)CCC#N)Cc2ccccc2C(=O)O1	ZINC000835412744	671795858	/nfs/dbraw/zinc/79/58/58/671795858.db2.gz	XDYZEXJHIPVUAC-AWEZNQCLSA-N	-1	0	322.342	0.518	20	30		DCEDRM
C[C@H](Oc1ccccc1F)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835411398	671795911	/nfs/dbraw/zinc/79/59/11/671795911.db2.gz	JGHPLUAGLKXIQQ-VIFPVBQESA-N	-1	0	300.311	0.953	20	30		DCEDRM
COC(=O)c1ccc(CCC(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000835410944	671796030	/nfs/dbraw/zinc/79/60/30/671796030.db2.gz	HJSXOJGEIZETPS-UHFFFAOYSA-N	-1	0	324.358	0.765	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc(OCC(F)F)nc1	ZINC000835411910	671796057	/nfs/dbraw/zinc/79/60/57/671796057.db2.gz	WFGNGLIVNSRCBU-UHFFFAOYSA-N	-1	0	319.289	0.699	20	30		DCEDRM
C=CCO[N-]C(=O)C(=O)N1C[C@H](C(=O)OC)Oc2ccccc21	ZINC000835972190	671811288	/nfs/dbraw/zinc/81/12/88/671811288.db2.gz	ITZNQUSAYIPEMX-GFCCVEGCSA-N	-1	0	320.301	0.187	20	30		DCEDRM
C=CCO[N-]C(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O	ZINC000837047319	671844096	/nfs/dbraw/zinc/84/40/96/671844096.db2.gz	GJQCFMYAACGICB-QWRGUYRKSA-N	-1	0	309.366	0.967	20	30		DCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cccc2nonc21	ZINC000837292367	671854855	/nfs/dbraw/zinc/85/48/55/671854855.db2.gz	PPKFHZBDPBNGDG-MRVPVSSYSA-N	-1	0	311.319	0.921	20	30		DCEDRM
N#Cc1c(N2CCC[C@@H](CC(=O)[O-])C2)cccc1S(N)(=O)=O	ZINC000841505278	671938185	/nfs/dbraw/zinc/93/81/85/671938185.db2.gz	JDXLSPTUSLKCNZ-JTQLQIEISA-N	-1	0	323.374	0.897	20	30		DCEDRM
COc1cc(C=NN2CCC[C@@H]2CO)ccc1OCC(=O)[O-]	ZINC000841660224	671947080	/nfs/dbraw/zinc/94/70/80/671947080.db2.gz	BETZJDHZPOVDOT-GFCCVEGCSA-N	-1	0	308.334	0.949	20	30		DCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C1	ZINC000842675636	672027262	/nfs/dbraw/zinc/02/72/62/672027262.db2.gz	GUXNLZWJGREZKG-SNVBAGLBSA-N	-1	0	306.343	0.873	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C1	ZINC000842765505	672035420	/nfs/dbraw/zinc/03/54/20/672035420.db2.gz	XERPWHRUQKFSDU-JTQLQIEISA-N	-1	0	322.342	0.741	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C1	ZINC000842768744	672035980	/nfs/dbraw/zinc/03/59/80/672035980.db2.gz	UCPKSFDZGDJXNN-QMMMGPOBSA-N	-1	0	310.306	0.871	20	30		DCEDRM
C#C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)[C@H]1CCCO1	ZINC000843045859	672055966	/nfs/dbraw/zinc/05/59/66/672055966.db2.gz	YCWFCDLGELERRP-QWHCGFSZSA-N	-1	0	316.313	0.620	20	30		DCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1	ZINC000844814535	672204753	/nfs/dbraw/zinc/20/47/53/672204753.db2.gz	CFQMMFWPJWBIDV-GFCCVEGCSA-N	-1	0	301.364	0.295	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)NCCOc1ccc(C#N)cc1	ZINC000845543649	672258610	/nfs/dbraw/zinc/25/86/10/672258610.db2.gz	DDFWUHADYCCPDV-UHFFFAOYSA-N	-1	0	306.322	0.304	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C	ZINC000846147142	672297546	/nfs/dbraw/zinc/29/75/46/672297546.db2.gz	MXDSJLSRBCRLNH-UHFFFAOYSA-N	-1	0	303.318	0.768	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn2ccccc2n1	ZINC000729068360	685322145	/nfs/dbraw/zinc/32/21/45/685322145.db2.gz	SXHHQRTUGMGZJS-NSHDSACASA-N	-1	0	300.318	0.809	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)NCC1(C(=O)[O-])CCC1	ZINC000738434986	685324314	/nfs/dbraw/zinc/32/43/14/685324314.db2.gz	IKDIATUHECXIOH-UHFFFAOYSA-N	-1	0	317.349	0.919	20	30		DCEDRM
CCOC(=O)C1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000771080322	685336959	/nfs/dbraw/zinc/33/69/59/685336959.db2.gz	BTDOFSFOGPRVGT-UHFFFAOYSA-N	-1	0	314.363	0.470	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@H]2CSCCS2)CC1	ZINC000793197190	685343943	/nfs/dbraw/zinc/34/39/43/685343943.db2.gz	PIVAKXLLWGSLOV-VIFPVBQESA-N	-1	0	320.461	0.975	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCc2cnn(C)c2C1	ZINC000798843661	685347045	/nfs/dbraw/zinc/34/70/45/685347045.db2.gz	KEUDTXIIFZVUMI-JQWIXIFHSA-N	-1	0	311.345	0.850	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CS[C@H]1CCS(=O)(=O)C1	ZINC000092462782	685108802	/nfs/dbraw/zinc/10/88/02/685108802.db2.gz	VXPQDTLPYIBKKJ-VIFPVBQESA-N	-1	0	307.393	0.006	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001691068599	1157566631	/nfs/dbraw/zinc/56/66/31/1157566631.db2.gz	BUIZNGDDULEMJH-NEPJUHHUSA-N	-1	0	323.397	0.572	20	30		DCEDRM
N#CC1(CC(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)CCOCC1	ZINC001455744147	1159759425	/nfs/dbraw/zinc/75/94/25/1159759425.db2.gz	OGBWUAVDKSDLAI-LBPRGKRZSA-N	-1	0	318.381	0.691	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001569139241	1160956881	/nfs/dbraw/zinc/95/68/81/1160956881.db2.gz	LWWFFFILCZFEGZ-MXWKQRLJSA-N	-1	0	309.370	0.038	20	30		DCEDRM
C=CCO[N-]C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1	ZINC001569147923	1160959734	/nfs/dbraw/zinc/95/97/34/1160959734.db2.gz	RYSMOPHIRTUQQM-UHFFFAOYSA-N	-1	0	324.333	0.676	20	30		DCEDRM
C=CCOCC(=O)NC[C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001573136326	1163388985	/nfs/dbraw/zinc/38/89/85/1163388985.db2.gz	LKRXFDQTGHHBPV-PHIMTYICSA-N	-1	0	322.365	0.251	20	30		DCEDRM
CCn1cc(C#N)c(NC(=O)N[C@]2(C)CCNC2=O)c1C(=O)[O-]	ZINC001573844437	1163564660	/nfs/dbraw/zinc/56/46/60/1163564660.db2.gz	ICGRKSZBLZLKGC-CQSZACIVSA-N	-1	0	319.321	0.478	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N1CCC[C@H]1c1n[nH]nc1C(=O)[O-]	ZINC001574208586	1163664617	/nfs/dbraw/zinc/66/46/17/1163664617.db2.gz	IJQNFAJKUICTKQ-VIFPVBQESA-N	-1	0	314.305	0.690	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)co1	ZINC001574240822	1163672083	/nfs/dbraw/zinc/67/20/83/1163672083.db2.gz	BTJBFBSCOOXNFE-NWDGAFQWSA-N	-1	0	301.258	0.463	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)NC1(CC(=O)[O-])COC1	ZINC001574242248	1163672231	/nfs/dbraw/zinc/67/22/31/1163672231.db2.gz	WLOWUQJOBSZOAH-UHFFFAOYSA-N	-1	0	314.294	0.219	20	30		DCEDRM
N#CC1(CS(=O)(=O)NCc2nc(CC(=O)[O-])cs2)CC1	ZINC001574241060	1163672235	/nfs/dbraw/zinc/67/22/35/1163672235.db2.gz	FSAHWNSCKKLGIA-UHFFFAOYSA-N	-1	0	315.376	0.493	20	30		DCEDRM
N#CCc1ccnc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)c1	ZINC001574242532	1163672663	/nfs/dbraw/zinc/67/26/63/1163672663.db2.gz	YSGPHQUPYNLKCB-GHMZBOCLSA-N	-1	0	319.321	0.240	20	30		DCEDRM
N#Cc1cccc(CC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)c1	ZINC001574248852	1163673095	/nfs/dbraw/zinc/67/30/95/1163673095.db2.gz	AFNIURFNNIBDKN-CHWSQXEVSA-N	-1	0	303.318	0.188	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)n1	ZINC001574249829	1163675078	/nfs/dbraw/zinc/67/50/78/1163675078.db2.gz	MXDSJHNLZSTKIF-OLZOCXBDSA-N	-1	0	312.285	0.265	20	30		DCEDRM
C#CCCCC(=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001576279914	1164289505	/nfs/dbraw/zinc/28/95/05/1164289505.db2.gz	JZTINMNAOLIBBU-GFCCVEGCSA-N	-1	0	318.377	0.900	20	30		DCEDRM
CCCc1nc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)co1	ZINC001577745004	1164778399	/nfs/dbraw/zinc/77/83/99/1164778399.db2.gz	YAQALDIVAQRMFF-UHFFFAOYSA-N	-1	0	313.281	0.654	20	30		DCEDRM
CN(C[C@H]1CCCC[C@@H]1O)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579065427	1165198664	/nfs/dbraw/zinc/19/86/64/1165198664.db2.gz	WPZJKCUXEORQFS-KOLCDFICSA-N	-1	0	314.353	0.516	20	30		DCEDRM
CN(C[C@@H]1CCCOC1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579079831	1165202614	/nfs/dbraw/zinc/20/26/14/1165202614.db2.gz	JAWZOHHHEJXWSW-VIFPVBQESA-N	-1	0	300.326	0.391	20	30		DCEDRM
Cc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccn2)cnn1CCC#N	ZINC001580547558	1165634560	/nfs/dbraw/zinc/63/45/60/1165634560.db2.gz	TUYUPNCGGFGZJR-UHFFFAOYSA-N	-1	0	323.320	0.933	20	30		DCEDRM
Cc1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c(O)c1	ZINC001581174529	1165793989	/nfs/dbraw/zinc/79/39/89/1165793989.db2.gz	UKRHCKUZZKFAIB-UHFFFAOYSA-N	-1	0	310.277	0.728	20	30		DCEDRM
N#CCNCC[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001581857948	1165889643	/nfs/dbraw/zinc/88/96/43/1165889643.db2.gz	KZRGOSXMCOCPPY-SNVBAGLBSA-N	-1	0	314.353	0.160	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cccnc2C2CC2)[n-]c1-c1nn[nH]n1	ZINC001581860490	1165892495	/nfs/dbraw/zinc/89/24/95/1165892495.db2.gz	CMFFMMBWJXICKC-UHFFFAOYSA-N	-1	0	321.304	0.986	20	30		DCEDRM
N#Cc1ccc(NC(=O)Cn2cc(-c3nnn[n-]3)ccc2=O)cc1	ZINC001581873283	1165897675	/nfs/dbraw/zinc/89/76/75/1165897675.db2.gz	VYPWVROUOHUJIK-UHFFFAOYSA-N	-1	0	321.300	0.539	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(-c3nn[nH]n3)cc2F)[n-]c1C#N	ZINC001581879171	1165899300	/nfs/dbraw/zinc/89/93/00/1165899300.db2.gz	LNSQABQLCBIVBT-UHFFFAOYSA-N	-1	0	323.251	0.725	20	30		DCEDRM
N#Cc1ncc(N2CC(Oc3ccccc3)C2)nc1-c1nnn[n-]1	ZINC001581881802	1165902137	/nfs/dbraw/zinc/90/21/37/1165902137.db2.gz	ALIRRCXPPDHWEA-UHFFFAOYSA-N	-1	0	320.316	0.796	20	30		DCEDRM
N#Cc1ncc(NCCc2ccc(CO)cc2)nc1-c1nnn[n-]1	ZINC001581883989	1165903371	/nfs/dbraw/zinc/90/33/71/1165903371.db2.gz	GAFNMUWYVYUYAS-UHFFFAOYSA-N	-1	0	322.332	0.675	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)c1cccc(C#N)c1Br	ZINC001585643371	1166445026	/nfs/dbraw/zinc/44/50/26/1166445026.db2.gz	KPEVEPSDJBSHRI-UHFFFAOYSA-N	-1	0	312.123	0.728	20	30		DCEDRM
C#CCCCS(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)c(C)n1	ZINC001588345539	1166536471	/nfs/dbraw/zinc/53/64/71/1166536471.db2.gz	KMMBXQYMNBZSRW-UHFFFAOYSA-N	-1	0	306.351	0.725	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)[O-]	ZINC001588414604	1166550719	/nfs/dbraw/zinc/55/07/19/1166550719.db2.gz	OTODPTFLKAMBLQ-CYBMUJFWSA-N	-1	0	323.312	0.532	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(c1)nc(CO)n2C)C(=O)[O-]	ZINC001588414256	1166551734	/nfs/dbraw/zinc/55/17/34/1166551734.db2.gz	JZGCXJSNZLGMSS-SNVBAGLBSA-N	-1	0	301.302	0.272	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cc(C)nnc2C)n1CC	ZINC001588426281	1166553553	/nfs/dbraw/zinc/55/35/53/1166553553.db2.gz	FNMYSKIJMVBCAP-UHFFFAOYSA-N	-1	0	314.349	0.896	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-]	ZINC001588547818	1166562420	/nfs/dbraw/zinc/56/24/20/1166562420.db2.gz	HUPSBIXZSYPXQB-GFCCVEGCSA-N	-1	0	315.333	0.871	20	30		DCEDRM
C=CCCOCCNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001588618030	1166570206	/nfs/dbraw/zinc/57/02/06/1166570206.db2.gz	ONEOVHWXKQLAPL-UHFFFAOYSA-N	-1	0	318.337	0.598	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001588611926	1166570733	/nfs/dbraw/zinc/57/07/33/1166570733.db2.gz	ZQRWHXIXMDNODI-SSDOTTSWSA-N	-1	0	302.298	0.381	20	30		DCEDRM
C=CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC001588626692	1166571114	/nfs/dbraw/zinc/57/11/14/1166571114.db2.gz	PVGMNRJYXWSTMD-UHFFFAOYSA-N	-1	0	324.322	0.581	20	30		DCEDRM
C=CCN(C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)(C)C	ZINC001588626303	1166571264	/nfs/dbraw/zinc/57/12/64/1166571264.db2.gz	XEFYHLTVMXALHU-VIFPVBQESA-N	-1	0	304.358	0.832	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(-c2nn[nH]n2)cn1	ZINC001588726131	1166582560	/nfs/dbraw/zinc/58/25/60/1166582560.db2.gz	UPPBHEWNJGPVSW-ONGXEEELSA-N	-1	0	315.337	0.974	20	30		DCEDRM
C=C[C@H](CO)NC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC001588727785	1166582640	/nfs/dbraw/zinc/58/26/40/1166582640.db2.gz	IYTMKFOCZHDEKL-BXKDBHETSA-N	-1	0	302.338	0.774	20	30		DCEDRM
CC(=O)OCCCSc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001588887809	1166614148	/nfs/dbraw/zinc/61/41/48/1166614148.db2.gz	BLSGXIYYEQDEDS-UHFFFAOYSA-N	-1	0	305.323	0.574	20	30		DCEDRM
CC(C)CC[C@@H](CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589587361	1166666211	/nfs/dbraw/zinc/66/62/11/1166666211.db2.gz	WKHWHXHAQOCVKV-VIFPVBQESA-N	-1	0	302.342	0.737	20	30		DCEDRM
CC(C)CN(CCC#N)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001589619535	1166668999	/nfs/dbraw/zinc/66/89/99/1166668999.db2.gz	JWBMVUPWNWLNDA-SNVBAGLBSA-N	-1	0	317.357	0.417	20	30		DCEDRM
C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1CC#N	ZINC001590171062	1166799702	/nfs/dbraw/zinc/79/97/02/1166799702.db2.gz	FWOJIHCPCXJSMX-NXEZZACHSA-N	-1	0	314.353	0.301	20	30		DCEDRM
C[C@H]1C[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)c2ncnn21	ZINC001590207871	1166814681	/nfs/dbraw/zinc/81/46/81/1166814681.db2.gz	BHKWKSGRJMBDES-BQBZGAKWSA-N	-1	0	309.297	0.238	20	30		DCEDRM
C[C@H]1N(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCOC1(C)C	ZINC001590331893	1166867854	/nfs/dbraw/zinc/86/78/54/1166867854.db2.gz	SXBSBVLJQYUIFF-MRVPVSSYSA-N	-1	0	300.326	0.532	20	30		DCEDRM
CCC[C@H](C)[C@H](CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001590548213	1166941907	/nfs/dbraw/zinc/94/19/07/1166941907.db2.gz	PGXGZQSSULBRMN-WPRPVWTQSA-N	-1	0	302.342	0.737	20	30		DCEDRM
CCN(C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C)[C@@H](C)C#N	ZINC001590673059	1166964307	/nfs/dbraw/zinc/96/43/07/1166964307.db2.gz	ZKUOLWODCMCUCB-QMMMGPOBSA-N	-1	0	301.310	0.650	20	30		DCEDRM
CO[C@@H]1C[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C1(C)C	ZINC001591349845	1167228684	/nfs/dbraw/zinc/22/86/84/1167228684.db2.gz	KVZYXHRUPJLWOQ-DTWKUNHWSA-N	-1	0	300.326	0.754	20	30		DCEDRM
COCCN(CCC(=O)[O-])c1c(C#N)cccc1-c1nn[nH]n1	ZINC001591422230	1167277242	/nfs/dbraw/zinc/27/72/42/1167277242.db2.gz	CDYMOTIXFZNFSP-UHFFFAOYSA-N	-1	0	316.321	0.666	20	30		DCEDRM
COCCN(CC#N)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001591421496	1167278337	/nfs/dbraw/zinc/27/83/37/1167278337.db2.gz	ACJNXFUTXHMPJY-UHFFFAOYSA-N	-1	0	302.294	0.184	20	30		DCEDRM
COc1ccc(C#N)cc1Cn1cncc(-c2nnn[n-]2)c1=O	ZINC001591570510	1167329716	/nfs/dbraw/zinc/32/97/16/1167329716.db2.gz	RFXVTYYESYULJQ-UHFFFAOYSA-N	-1	0	309.289	0.352	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCCCCC#N	ZINC001591835957	1167391508	/nfs/dbraw/zinc/39/15/08/1167391508.db2.gz	PKRQQZVICUPUGB-UHFFFAOYSA-N	-1	0	301.310	0.699	20	30		DCEDRM
Cc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1-c1nn[nH]n1	ZINC001592133052	1167463946	/nfs/dbraw/zinc/46/39/46/1167463946.db2.gz	VJUVWVWJFIOOTB-UHFFFAOYSA-N	-1	0	319.288	0.894	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)NCCC(C)(C)C	ZINC001592335278	1167490875	/nfs/dbraw/zinc/49/08/75/1167490875.db2.gz	POBHLIQMPMYPMC-UHFFFAOYSA-N	-1	0	316.369	0.796	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(Cl)[nH]2)[n-]c1-c1nn[nH]n1	ZINC001592681753	1167600460	/nfs/dbraw/zinc/60/04/60/1167600460.db2.gz	HKPPDFKNFKORIR-UHFFFAOYSA-N	-1	0	303.673	0.695	20	30		DCEDRM
Cc1cc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)ncc1C#N	ZINC001600080523	1168113999	/nfs/dbraw/zinc/11/39/99/1168113999.db2.gz	PYHJXDQMRTXKGG-ZDUSSCGKSA-N	-1	0	303.318	0.559	20	30		DCEDRM
Cc1cc(C=NNC(=S)NC[C@H]2CCCO2)[nH]c1C(=O)[O-]	ZINC001600185171	1168132050	/nfs/dbraw/zinc/13/20/50/1168132050.db2.gz	JVWXOMNULPQYQK-SNVBAGLBSA-N	-1	0	310.379	0.998	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NCCCCCC(=O)[O-])ncc1C#N	ZINC001600247408	1168148715	/nfs/dbraw/zinc/14/87/15/1168148715.db2.gz	FZSPZXYMULQNHH-UHFFFAOYSA-N	-1	0	318.333	0.961	20	30		DCEDRM
Cc1cc(NC(=O)NCCn2cnc(C#N)n2)ccc1C(=O)[O-]	ZINC001600269017	1168154048	/nfs/dbraw/zinc/15/40/48/1168154048.db2.gz	BFWSXEYYZPNGIE-UHFFFAOYSA-N	-1	0	314.305	0.978	20	30		DCEDRM
Cc1ccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cc1C#N	ZINC001600331888	1168167105	/nfs/dbraw/zinc/16/71/05/1168167105.db2.gz	RRENAEPWCQRMFE-GFCCVEGCSA-N	-1	0	301.302	0.234	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)c(C#N)c1	ZINC001600476609	1168189358	/nfs/dbraw/zinc/18/93/58/1168189358.db2.gz	NBHPVHBRWNZYSY-GFCCVEGCSA-N	-1	0	324.358	0.731	20	30		DCEDRM
Cc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c(C#N)c1	ZINC001600477459	1168189936	/nfs/dbraw/zinc/18/99/36/1168189936.db2.gz	DYVHBRFEVVYAAG-GFCCVEGCSA-N	-1	0	324.358	0.731	20	30		DCEDRM
Cc1cn2c(ncc(C(=O)N(CC#N)CC(=O)[O-])c2=O)s1	ZINC001600613582	1168214265	/nfs/dbraw/zinc/21/42/65/1168214265.db2.gz	JHFNECAVODWPNM-UHFFFAOYSA-N	-1	0	306.303	0.115	20	30		DCEDRM
Cc1csc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1C(=O)[O-]	ZINC001600661327	1168233002	/nfs/dbraw/zinc/23/30/02/1168233002.db2.gz	VWZBCDZVAZARAD-MRVPVSSYSA-N	-1	0	323.330	0.444	20	30		DCEDRM
Cc1nn(-c2cccnc2)nc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001600765024	1168281911	/nfs/dbraw/zinc/28/19/11/1168281911.db2.gz	AFSIBZGCXVFLKQ-UHFFFAOYSA-N	-1	0	314.305	0.411	20	30		DCEDRM
Cc1nn(C2CCOCC2)c(C)c1C(=O)N(CC#N)CC(=O)[O-]	ZINC001600777532	1168292159	/nfs/dbraw/zinc/29/21/59/1168292159.db2.gz	KJHKHVTXXUXPIW-UHFFFAOYSA-N	-1	0	320.349	0.902	20	30		DCEDRM
Cn1c(-c2coc(C#N)c2)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001600893461	1168495958	/nfs/dbraw/zinc/49/59/58/1168495958.db2.gz	MIMWLWALKUPLTN-ZDUSSCGKSA-N	-1	0	305.269	0.950	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2COC[C@@H]2C2CC2)CC1	ZINC001601051804	1168577499	/nfs/dbraw/zinc/57/74/99/1168577499.db2.gz	VNNJNWFNFLUXRN-NEPJUHHUSA-N	-1	0	307.350	0.811	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1	ZINC001601052055	1168577649	/nfs/dbraw/zinc/57/76/49/1168577649.db2.gz	JABMXCMWHGZUBA-TXEJJXNPSA-N	-1	0	317.345	0.585	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C2(C(=O)NC3CC3)CC2)CC1	ZINC001601049148	1168577798	/nfs/dbraw/zinc/57/77/98/1168577798.db2.gz	NOLJSXSIOILDDW-UHFFFAOYSA-N	-1	0	305.334	0.262	20	30		DCEDRM
N#C[C@H](c1ccccc1)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC001601049969	1168577849	/nfs/dbraw/zinc/57/78/49/1168577849.db2.gz	SQYHHIXGILXPDR-CHWSQXEVSA-N	-1	0	308.359	0.825	20	30		DCEDRM
N#CC1(CC(=O)N[C@@H](Cc2cncs2)C(=O)[O-])CCOCC1	ZINC001601055232	1168578319	/nfs/dbraw/zinc/57/83/19/1168578319.db2.gz	UNMQILXEHLOASK-NSHDSACASA-N	-1	0	323.374	0.965	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1	ZINC001601058403	1168578929	/nfs/dbraw/zinc/57/89/29/1168578929.db2.gz	SEQYUVVBUNVYFD-KMUNFCNLSA-N	-1	0	323.324	0.306	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC1	ZINC001601060862	1168579101	/nfs/dbraw/zinc/57/91/01/1168579101.db2.gz	NFBDHDCGADATQJ-UHFFFAOYSA-N	-1	0	317.305	0.370	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001601063340	1168579636	/nfs/dbraw/zinc/57/96/36/1168579636.db2.gz	PUGKXIBGFKANAG-JTQLQIEISA-N	-1	0	302.352	0.186	20	30		DCEDRM
N#CCCN1CCN(CC(=O)Nc2ccccc2C(=O)[O-])CC1	ZINC001601067959	1168580208	/nfs/dbraw/zinc/58/02/08/1168580208.db2.gz	XCYHDQCNFOIQFG-UHFFFAOYSA-N	-1	0	316.361	0.855	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc2c(cc1Cl)NC(=O)CO2	ZINC001601069242	1168580395	/nfs/dbraw/zinc/58/03/95/1168580395.db2.gz	JVCCPZQEVLMCAK-UHFFFAOYSA-N	-1	0	323.692	0.721	20	30		DCEDRM
N#CCCCS(=O)(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001601066918	1168580398	/nfs/dbraw/zinc/58/03/98/1168580398.db2.gz	LUBXREZBEHPZKA-VIFPVBQESA-N	-1	0	312.351	0.639	20	30		DCEDRM
N#CCN1CCC(NC(=O)CCCn2ccc(C(=O)[O-])n2)CC1	ZINC001601073298	1168581859	/nfs/dbraw/zinc/58/18/59/1168581859.db2.gz	NLQZMFSMRKMPRH-UHFFFAOYSA-N	-1	0	319.365	0.466	20	30		DCEDRM
N#CCOc1ccc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1	ZINC001601074218	1168581969	/nfs/dbraw/zinc/58/19/69/1168581969.db2.gz	NKEKUBQOKUGIDZ-CQSZACIVSA-N	-1	0	305.290	0.642	20	30		DCEDRM
N#CCOc1ccccc1C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001601076012	1168582185	/nfs/dbraw/zinc/58/21/85/1168582185.db2.gz	USVYCOTWPZEXRV-QWRGUYRKSA-N	-1	0	304.302	0.497	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC001601082487	1168583000	/nfs/dbraw/zinc/58/30/00/1168583000.db2.gz	AOXYEPZIDMTHST-XVKPBYJWSA-N	-1	0	316.285	0.883	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001601079006	1168583101	/nfs/dbraw/zinc/58/31/01/1168583101.db2.gz	BNJVCCAIJQDQEA-WCBMZHEXSA-N	-1	0	302.290	0.527	20	30		DCEDRM
N#CCc1ccsc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001601079286	1168583139	/nfs/dbraw/zinc/58/31/39/1168583139.db2.gz	TWPZLDKEWFJFDQ-SNVBAGLBSA-N	-1	0	321.358	0.620	20	30		DCEDRM
N#Cc1cc(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)co1	ZINC001601085266	1168583425	/nfs/dbraw/zinc/58/34/25/1168583425.db2.gz	YKIPLIINGFJTOC-UHFFFAOYSA-N	-1	0	303.274	0.987	20	30		DCEDRM
N#Cc1c(COC(=O)CCn2ccnn2)cccc1C(=O)[O-]	ZINC001601083967	1168583574	/nfs/dbraw/zinc/58/35/74/1168583574.db2.gz	ZZKQZUDGRBKZRP-UHFFFAOYSA-N	-1	0	300.274	0.981	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)[C@H]2CCCC(=O)N2)C(=O)[O-])cc1	ZINC001601099833	1168584592	/nfs/dbraw/zinc/58/45/92/1168584592.db2.gz	VTEQPEDOGRNUFM-YPMHNXCESA-N	-1	0	302.286	0.896	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)CN2CCOCC2=O)C(=O)[O-])cc1	ZINC001601096369	1168584595	/nfs/dbraw/zinc/58/45/95/1168584595.db2.gz	UCNUXRIGGPFJGC-CQSZACIVSA-N	-1	0	318.285	0.086	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c(F)c1	ZINC001601099539	1168584900	/nfs/dbraw/zinc/58/49/00/1168584900.db2.gz	BTILWAJGTBBTFE-NWDGAFQWSA-N	-1	0	321.308	0.674	20	30		DCEDRM
N#Cc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1	ZINC001601121023	1168587777	/nfs/dbraw/zinc/58/77/77/1168587777.db2.gz	ZMSMDXARROYOTE-SNVBAGLBSA-N	-1	0	317.305	0.150	20	30		DCEDRM
N#Cc1ccccc1NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001601125531	1168589450	/nfs/dbraw/zinc/58/94/50/1168589450.db2.gz	JLKLLMQCYJQEJO-NSHDSACASA-N	-1	0	301.302	0.820	20	30		DCEDRM
N#Cc1cncc(CN2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)c1	ZINC001601131187	1168591163	/nfs/dbraw/zinc/59/11/63/1168591163.db2.gz	RWRCKUGGVVPERV-INIZCTEOSA-N	-1	0	316.361	0.315	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1	ZINC001602678821	1169157204	/nfs/dbraw/zinc/15/72/04/1169157204.db2.gz	QGHOFRDIEOWXBL-UHFFFAOYSA-N	-1	0	304.277	0.815	20	30		DCEDRM
C#C[C@@H]1COCCN1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1	ZINC001602681266	1169157536	/nfs/dbraw/zinc/15/75/36/1169157536.db2.gz	HKDDRBUZWLFZKV-LLVKDONJSA-N	-1	0	313.313	0.868	20	30		DCEDRM
C#CC[C@@H](COC)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001602684995	1169158370	/nfs/dbraw/zinc/15/83/70/1169158370.db2.gz	LDBBLAHFVRNZPH-JTQLQIEISA-N	-1	0	312.347	0.405	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC001602690784	1169160600	/nfs/dbraw/zinc/16/06/00/1169160600.db2.gz	ZYZVGWUJPCRTTI-ZETCQYMHSA-N	-1	0	318.362	0.783	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2CC)C(=O)[O-]	ZINC001602693605	1169162672	/nfs/dbraw/zinc/16/26/72/1169162672.db2.gz	ZDXVXRCXCZATNG-JTQLQIEISA-N	-1	0	301.302	0.968	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)C1	ZINC001602699955	1169164263	/nfs/dbraw/zinc/16/42/63/1169164263.db2.gz	NHDWCTVFOCVZLS-UPJWGTAASA-N	-1	0	306.362	0.570	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H](C)N(C)c1ncc(C(=O)[O-])cn1	ZINC001602701770	1169165932	/nfs/dbraw/zinc/16/59/32/1169165932.db2.gz	WKLJIHOQSFQLJD-LLVKDONJSA-N	-1	0	304.350	0.919	20	30		DCEDRM
C#CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCN(C(=O)C2CC2)CC1	ZINC001602711370	1169166751	/nfs/dbraw/zinc/16/67/51/1169166751.db2.gz	FNXCBZWDWMJSNZ-ZIAGYGMSSA-N	-1	0	318.373	0.570	20	30		DCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001602715715	1169168306	/nfs/dbraw/zinc/16/83/06/1169168306.db2.gz	OROUDYVLSQCGLJ-UHFFFAOYSA-N	-1	0	301.707	0.888	20	30		DCEDRM
C#CCN1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC001602721037	1169170913	/nfs/dbraw/zinc/17/09/13/1169170913.db2.gz	RJYINHQAAPXTCG-UHFFFAOYSA-N	-1	0	322.386	0.761	20	30		DCEDRM
C#CCOCCC(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001602728026	1169174158	/nfs/dbraw/zinc/17/41/58/1169174158.db2.gz	JUDJRJCMOWVLRV-UHFFFAOYSA-N	-1	0	306.274	0.301	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)nc1	ZINC001602740201	1169175940	/nfs/dbraw/zinc/17/59/40/1169175940.db2.gz	ZPDDRMUFCOBHIN-QWRGUYRKSA-N	-1	0	302.286	0.009	20	30		DCEDRM
C#Cc1cncc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)OC)c1	ZINC001602743254	1169176029	/nfs/dbraw/zinc/17/60/29/1169176029.db2.gz	KCBHRZUNOZAVFZ-WCQYABFASA-N	-1	0	316.313	0.541	20	30		DCEDRM
C=C(C)CCC(=O)NCCCNc1ccnc(-c2nnn[n-]2)n1	ZINC001602759331	1169179079	/nfs/dbraw/zinc/17/90/79/1169179079.db2.gz	GCPUKKRPVGJCIC-UHFFFAOYSA-N	-1	0	316.369	0.353	20	30		DCEDRM
C=C(C)Cn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001602771157	1169182605	/nfs/dbraw/zinc/18/26/05/1169182605.db2.gz	MPIDUVCBUKWYCT-SNVBAGLBSA-N	-1	0	308.338	0.125	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001602810317	1169187021	/nfs/dbraw/zinc/18/70/21/1169187021.db2.gz	XNDBZXAZXQROEH-ABAIWWIYSA-N	-1	0	315.366	0.938	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1CC1CC1	ZINC001602820668	1169188173	/nfs/dbraw/zinc/18/81/73/1169188173.db2.gz	LFVSGTDVNIYBHJ-JLLWLGSASA-N	-1	0	322.365	0.586	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC001602816846	1169189002	/nfs/dbraw/zinc/18/90/02/1169189002.db2.gz	RJZQXCUVWITQSG-JTQLQIEISA-N	-1	0	324.333	0.562	20	30		DCEDRM
C=CCC1(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCCC1	ZINC001602818101	1169189064	/nfs/dbraw/zinc/18/90/64/1169189064.db2.gz	BOUQYFSNPLMPHQ-UHFFFAOYSA-N	-1	0	316.369	0.853	20	30		DCEDRM
C=CC[C@H](OC(=O)c1ccc2c(c1)C(=O)NCCO2)C(=O)[O-]	ZINC001602848955	1169192108	/nfs/dbraw/zinc/19/21/08/1169192108.db2.gz	IHUDCPRBABLBQS-LBPRGKRZSA-N	-1	0	305.286	0.995	20	30		DCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1csc(-c2nn[nH]n2)c1	ZINC001602863748	1169194704	/nfs/dbraw/zinc/19/47/04/1169194704.db2.gz	NZUPAERPAQTIEF-ZETCQYMHSA-N	-1	0	307.335	0.776	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)c1ccnc2c1nnn2C)C(=O)[O-]	ZINC001602870101	1169195565	/nfs/dbraw/zinc/19/55/65/1169195565.db2.gz	FFNVSCLLPAWOTD-SNVBAGLBSA-N	-1	0	303.322	0.903	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-]	ZINC001602869128	1169196005	/nfs/dbraw/zinc/19/60/05/1169196005.db2.gz	BDARKQDKARAJAL-SNVBAGLBSA-N	-1	0	301.368	0.816	20	30		DCEDRM
C=CCCn1cc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(C)=O)nn1	ZINC001602884866	1169198417	/nfs/dbraw/zinc/19/84/17/1169198417.db2.gz	STBKRSZZXZISJX-SNVBAGLBSA-N	-1	0	321.362	0.301	20	30		DCEDRM
C=CCN(CC=C)C(=O)CN1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001602887896	1169199461	/nfs/dbraw/zinc/19/94/61/1169199461.db2.gz	XVUSFFGDHVGNBF-CHWSQXEVSA-N	-1	0	324.377	0.525	20	30		DCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2cccc(C(=O)[O-])n2)C1=O	ZINC001602898373	1169199657	/nfs/dbraw/zinc/19/96/57/1169199657.db2.gz	QKRYFQODPOEDEV-LBPRGKRZSA-N	-1	0	303.318	0.639	20	30		DCEDRM
C=CCOCC(=O)N(C)[C@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001602906241	1169201276	/nfs/dbraw/zinc/20/12/76/1169201276.db2.gz	CANAMMFEUDHBNJ-SNVBAGLBSA-N	-1	0	308.338	0.058	20	30		DCEDRM
C=CCN1CCC(NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1	ZINC001602901231	1169201635	/nfs/dbraw/zinc/20/16/35/1169201635.db2.gz	CMHYGLUSPNHLGH-UHFFFAOYSA-N	-1	0	314.367	0.037	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CCc1nc(C(C)C)no1)C(=O)[O-]	ZINC001602910305	1169203077	/nfs/dbraw/zinc/20/30/77/1169203077.db2.gz	UOTLOTKIJHNQKN-JTQLQIEISA-N	-1	0	311.338	0.898	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc2c1NC(=O)CO2)C(=O)[O-]	ZINC001602913484	1169204234	/nfs/dbraw/zinc/20/42/34/1169204234.db2.gz	RVWKBOJDVJWUSU-SNVBAGLBSA-N	-1	0	320.301	0.403	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cnc(OC)s1)C(=O)[O-]	ZINC001602915155	1169205059	/nfs/dbraw/zinc/20/50/59/1169205059.db2.gz	FGMSFCWAJKBJPK-SSDOTTSWSA-N	-1	0	322.364	0.086	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC001602924648	1169206842	/nfs/dbraw/zinc/20/68/42/1169206842.db2.gz	AAAOPNKMKVZBNZ-ARJAWSKDSA-N	-1	0	313.331	0.708	20	30		DCEDRM
C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602931855	1169210441	/nfs/dbraw/zinc/21/04/41/1169210441.db2.gz	DDBVEGSLZGQEHR-WDEREUQCSA-N	-1	0	319.365	0.321	20	30		DCEDRM
C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602931853	1169211119	/nfs/dbraw/zinc/21/11/19/1169211119.db2.gz	DDBVEGSLZGQEHR-MNOVXSKESA-N	-1	0	319.365	0.321	20	30		DCEDRM
C=CCn1c(CC2CC(O)C2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602935166	1169212077	/nfs/dbraw/zinc/21/20/77/1169212077.db2.gz	AHODUTFFBPAWPF-MCIGGMRASA-N	-1	0	322.365	0.067	20	30		DCEDRM
C=CCn1c(CCOCC)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001602935468	1169212775	/nfs/dbraw/zinc/21/27/75/1169212775.db2.gz	MMHYMIXWIUGBIH-LBPRGKRZSA-N	-1	0	324.381	0.723	20	30		DCEDRM
C=CCn1c(CC(F)F)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001602935346	1169213364	/nfs/dbraw/zinc/21/33/64/1169213364.db2.gz	HVYJULWMZOVAKU-ZDUSSCGKSA-N	-1	0	316.308	0.952	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCNc1ncc(C(=O)[O-])cn1	ZINC001602940399	1169214489	/nfs/dbraw/zinc/21/44/89/1169214489.db2.gz	WRCXAIWJWNEBOU-NEPJUHHUSA-N	-1	0	320.349	0.636	20	30		DCEDRM
CC#CCN1CC(OC2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)C1	ZINC001602949606	1169218851	/nfs/dbraw/zinc/21/88/51/1169218851.db2.gz	PMVSWUHDODTBNV-GJZGRUSLSA-N	-1	0	320.389	0.422	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C1	ZINC001602982616	1169224583	/nfs/dbraw/zinc/22/45/83/1169224583.db2.gz	ZYROFBIJTSRMGE-GXSJLCMTSA-N	-1	0	312.337	0.434	20	30		DCEDRM
C[C@H](C#N)C(=O)NCCCNc1ncc(-c2nn[nH]n2)cc1F	ZINC001602983418	1169224614	/nfs/dbraw/zinc/22/46/14/1169224614.db2.gz	IGUFRTLFZYDLOA-MRVPVSSYSA-N	-1	0	318.316	0.479	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1	ZINC001602981338	1169224979	/nfs/dbraw/zinc/22/49/79/1169224979.db2.gz	DJUXUHWUJDPZBG-ONGXEEELSA-N	-1	0	312.337	0.434	20	30		DCEDRM
C[C@@H](C(=O)OCC(C)(C)CC#N)n1cnc(-c2nnn[n-]2)n1	ZINC001603031124	1169233777	/nfs/dbraw/zinc/23/37/77/1169233777.db2.gz	AAEATWBNOWJLST-QMMMGPOBSA-N	-1	0	304.314	0.502	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CC[C@@H](CCNc2ccnc(C(=O)[O-])n2)C1	ZINC001603130439	1169250804	/nfs/dbraw/zinc/25/08/04/1169250804.db2.gz	VRTRLRYEWZCDMI-WDEREUQCSA-N	-1	0	317.349	0.407	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC001603230495	1169277562	/nfs/dbraw/zinc/27/75/62/1169277562.db2.gz	NDVXCRBWNNEMDH-LBPRGKRZSA-N	-1	0	314.367	0.196	20	30		DCEDRM
CC(C)(C(=O)[O-])n1cc(NC(=O)N2CC[C@](O)(CC#N)C2)cn1	ZINC001603283286	1169286976	/nfs/dbraw/zinc/28/69/76/1169286976.db2.gz	LDYQZLXLGRFYNL-CQSZACIVSA-N	-1	0	321.337	0.585	20	30		DCEDRM
CC(C)OC(=O)CSc1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001603343657	1169297074	/nfs/dbraw/zinc/29/70/74/1169297074.db2.gz	SGZWKYZSDXNBGF-UHFFFAOYSA-N	-1	0	305.323	0.572	20	30		DCEDRM
C[C@H](CC[S@](C)=O)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001603498944	1169313406	/nfs/dbraw/zinc/31/34/06/1169313406.db2.gz	FQCRJCYCVDMYEU-QFWYVNQISA-N	-1	0	306.355	0.097	20	30		DCEDRM
C[C@@](NC(=O)CCNC(=O)C1N=CC=CC1=O)(C(=O)[O-])C1CC1	ZINC001604269954	1169540213	/nfs/dbraw/zinc/54/02/13/1169540213.db2.gz	UDBOURPBQFXQGC-LLNWESEBSA-N	-1	0	321.333	0.272	20	30		DCEDRM
CC1(C#N)CCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CC1	ZINC001604482682	1169599829	/nfs/dbraw/zinc/59/98/29/1169599829.db2.gz	KOAAGHNBQUBHCN-GFCCVEGCSA-N	-1	0	321.377	0.756	20	30		DCEDRM
CC1(C)[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C[C@@H]1O	ZINC001604509076	1169608177	/nfs/dbraw/zinc/60/81/77/1169608177.db2.gz	PFJUXVGLZRJPJR-NEPJUHHUSA-N	-1	0	324.358	0.694	20	30		DCEDRM
CC1=NO[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001604617298	1169632021	/nfs/dbraw/zinc/63/20/21/1169632021.db2.gz	CYZCWCNHWNWSQE-SNVBAGLBSA-N	-1	0	323.330	0.700	20	30		DCEDRM
C[C@@H]1CN(C(=O)c2ccoc2CC(=O)[O-])C[C@H](C)N1CC#N	ZINC001604784206	1169681973	/nfs/dbraw/zinc/68/19/73/1169681973.db2.gz	WBXXLTHYXWQWRN-PHIMTYICSA-N	-1	0	305.334	0.965	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](C)N(CC#N)[C@H](C)C1)C(=O)[O-]	ZINC001604929298	1169750087	/nfs/dbraw/zinc/75/00/87/1169750087.db2.gz	VJKXOTHDSXKOOA-JLNYLFASSA-N	-1	0	324.425	0.520	20	30		DCEDRM
COC(=O)c1ccc(CN=Nc2oc(C)nc2-c2nnn[n-]2)o1	ZINC001604971045	1169767815	/nfs/dbraw/zinc/76/78/15/1169767815.db2.gz	KDRYJGKPWDIXJO-UHFFFAOYSA-N	-1	0	317.265	0.989	20	30		DCEDRM
COCCN(CCC#N)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001605096372	1169821932	/nfs/dbraw/zinc/82/19/32/1169821932.db2.gz	KTLHXHLVOLVGHB-UHFFFAOYSA-N	-1	0	316.321	0.575	20	30		DCEDRM
CCCC[C@H](NC(N)=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001605245555	1169882376	/nfs/dbraw/zinc/88/23/76/1169882376.db2.gz	DBEANJQNPBIGMF-JTQLQIEISA-N	-1	0	310.354	0.430	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC001605418247	1169915914	/nfs/dbraw/zinc/91/59/14/1169915914.db2.gz	VEYWNYJFXNGACO-GXSJLCMTSA-N	-1	0	321.424	0.263	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N(C[C@@H](C)C(=O)[O-])C1CC1	ZINC001605436740	1169920837	/nfs/dbraw/zinc/92/08/37/1169920837.db2.gz	FWZADCSMSBWRLQ-SNVBAGLBSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1snc(C)c1C#N	ZINC001605448719	1169925036	/nfs/dbraw/zinc/92/50/36/1169925036.db2.gz	GZDFETGDHVXEQG-VHSXEESVSA-N	-1	0	322.390	0.986	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCC[C@@H](C#N)C1	ZINC001605507167	1169941604	/nfs/dbraw/zinc/94/16/04/1169941604.db2.gz	UVWDTOVYTYKYPR-VIFPVBQESA-N	-1	0	313.321	0.652	20	30		DCEDRM
CCc1ccc(C#CC(=O)N[C@H](Cn2cncn2)C(=O)[O-])cc1	ZINC001605804980	1170006298	/nfs/dbraw/zinc/00/62/98/1170006298.db2.gz	ZCDLPRXLZCDDGY-CQSZACIVSA-N	-1	0	312.329	0.462	20	30		DCEDRM
Cc1ccc([C@H](O)CNc2cnc(C#N)c(-c3nnn[n-]3)n2)o1	ZINC001605827077	1170007895	/nfs/dbraw/zinc/00/78/95/1170007895.db2.gz	CROOVYCHCSICDT-SECBINFHSA-N	-1	0	312.293	0.575	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1nc(CC(C)C)no1	ZINC001606017722	1170051592	/nfs/dbraw/zinc/05/15/92/1170051592.db2.gz	MLBOZOQDUYSYMW-UHFFFAOYSA-N	-1	0	313.325	0.873	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCC(C)(C)S(C)(=O)=O)o1	ZINC001606019559	1170052369	/nfs/dbraw/zinc/05/23/69/1170052369.db2.gz	IOCHSJIYUGKXIS-UHFFFAOYSA-N	-1	0	313.343	0.384	20	30		DCEDRM
Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)N1CCCCC1	ZINC001606024008	1170054208	/nfs/dbraw/zinc/05/42/08/1170054208.db2.gz	SDAVYNCEOCQMHD-UHFFFAOYSA-N	-1	0	300.326	0.256	20	30		DCEDRM
CN(CCCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001606121710	1170082981	/nfs/dbraw/zinc/08/29/81/1170082981.db2.gz	NWPPDYKCQRJPGY-VXGBXAGGSA-N	-1	0	317.349	0.354	20	30		DCEDRM
N#CC1(COC(=O)c2ccc(-c3nn[nH]n3)cc2F)COC1	ZINC001606343545	1170163146	/nfs/dbraw/zinc/16/31/46/1170163146.db2.gz	PPEOYYUMNODIBR-UHFFFAOYSA-N	-1	0	303.253	0.703	20	30		DCEDRM
N#CC1(COC(=O)CCc2ccc(-c3nn[nH]n3)cc2)COC1	ZINC001606342927	1170163169	/nfs/dbraw/zinc/16/31/69/1170163169.db2.gz	IEDJMERZYKBDTG-UHFFFAOYSA-N	-1	0	313.317	0.883	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc1-c1nnn[n-]1	ZINC001606397960	1170183454	/nfs/dbraw/zinc/18/34/54/1170183454.db2.gz	FEHXYNXKLIGBTO-MWLCHTKSSA-N	-1	0	312.337	0.898	20	30		DCEDRM
COC(=O)CC[C@@H](NC(=O)c1ccc(C#N)c(O)c1)C(=O)[O-]	ZINC001606459708	1170213123	/nfs/dbraw/zinc/21/31/23/1170213123.db2.gz	DGWMIEDVKCESCY-SNVBAGLBSA-N	-1	0	306.274	0.400	20	30		DCEDRM
COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC001606500887	1170220806	/nfs/dbraw/zinc/22/08/06/1170220806.db2.gz	HFJHAYOICRWCKP-BXKDBHETSA-N	-1	0	321.285	0.885	20	30		DCEDRM
COC(CN(CCC(=O)[O-])S(=O)(=O)CC(C)(C)C#N)OC	ZINC001606674566	1170258814	/nfs/dbraw/zinc/25/88/14/1170258814.db2.gz	MAFQDJXLJWWYPV-UHFFFAOYSA-N	-1	0	322.383	0.262	20	30		DCEDRM
COc1c(NC(=O)C(=O)NCCCC#N)cccc1C(=O)[O-]	ZINC001607028070	1170360845	/nfs/dbraw/zinc/36/08/45/1170360845.db2.gz	RDKYFTYIWZCUHN-UHFFFAOYSA-N	-1	0	305.290	0.752	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Cn1cnc(C#N)n1	ZINC001607417062	1170447870	/nfs/dbraw/zinc/44/78/70/1170447870.db2.gz	VOTJTSYAKOMKBO-NSHDSACASA-N	-1	0	313.317	0.652	20	30		DCEDRM
Cc1c(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)cnn1CCC#N	ZINC001607507813	1170469523	/nfs/dbraw/zinc/46/95/23/1170469523.db2.gz	CDIIFLIHBQLMGC-AWEZNQCLSA-N	-1	0	306.322	0.326	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC001607566589	1170477384	/nfs/dbraw/zinc/47/73/84/1170477384.db2.gz	YMYCFEBYADVMOX-HNNXBMFYSA-N	-1	0	313.317	0.732	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1	ZINC001607564932	1170477965	/nfs/dbraw/zinc/47/79/65/1170477965.db2.gz	ZFJLMLXNTKJKRM-LLVKDONJSA-N	-1	0	318.333	0.056	20	30		DCEDRM
Cc1cc(NC(=O)CCn2cc(C(=O)[O-])cc(C#N)c2=O)no1	ZINC001607678757	1170494747	/nfs/dbraw/zinc/49/47/47/1170494747.db2.gz	ZYEIBMFYEYTSBA-UHFFFAOYSA-N	-1	0	316.273	0.743	20	30		DCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC001607838883	1170511863	/nfs/dbraw/zinc/51/18/63/1170511863.db2.gz	XIQKGAXKDKYWDJ-MNOVXSKESA-N	-1	0	310.331	0.075	20	30		DCEDRM
Cc1cnc(CCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001607906411	1170521279	/nfs/dbraw/zinc/52/12/79/1170521279.db2.gz	RVJWWIIOVBCCKD-UHFFFAOYSA-N	-1	0	317.349	0.728	20	30		DCEDRM
Cc1[nH]nc(S(=O)(=O)N2CCSC[C@@H]2C#N)c1C(=O)[O-]	ZINC001607940706	1170530579	/nfs/dbraw/zinc/53/05/79/1170530579.db2.gz	TXKHFFPMGBKAHH-ZETCQYMHSA-N	-1	0	316.364	0.046	20	30		DCEDRM
Cc1nc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])ccc1C#N	ZINC001607961661	1170534157	/nfs/dbraw/zinc/53/41/57/1170534157.db2.gz	WGAVAPSJKQNRCA-CHWSQXEVSA-N	-1	0	316.361	0.877	20	30		DCEDRM
Cc1ncc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1C(=O)[O-]	ZINC001607982673	1170539129	/nfs/dbraw/zinc/53/91/29/1170539129.db2.gz	GHGFWCUAXRTWJL-MRVPVSSYSA-N	-1	0	300.278	0.751	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001608031928	1170553820	/nfs/dbraw/zinc/55/38/20/1170553820.db2.gz	WZTRAJQVZDYSCV-NSHDSACASA-N	-1	0	308.290	0.796	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCCCc2nnc[nH]2)CC1	ZINC001608171610	1170608368	/nfs/dbraw/zinc/60/83/68/1170608368.db2.gz	OPUKZLXBTLKNGY-UHFFFAOYSA-N	-1	0	306.326	0.137	20	30		DCEDRM
N#CC1(CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CCOCC1	ZINC001608175143	1170609106	/nfs/dbraw/zinc/60/91/06/1170609106.db2.gz	QRFFEGAAOHASOV-NWDGAFQWSA-N	-1	0	310.350	0.835	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CCN1C1CC1	ZINC001608178849	1170610594	/nfs/dbraw/zinc/61/05/94/1170610594.db2.gz	CNXLTJJQDSHDAH-WCQYABFASA-N	-1	0	304.350	0.542	20	30		DCEDRM
N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1	ZINC001608179412	1170610857	/nfs/dbraw/zinc/61/08/57/1170610857.db2.gz	VUNIUYSBSJKQCG-OZVIIMIRSA-N	-1	0	319.361	0.604	20	30		DCEDRM
N#CC1(NC(=O)COC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CCC1	ZINC001608176901	1170610880	/nfs/dbraw/zinc/61/08/80/1170610880.db2.gz	GDMTVIMDGMBXAM-XYPYZODXSA-N	-1	0	308.334	0.983	20	30		DCEDRM
N#CCCCNC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2	ZINC001608181724	1170611350	/nfs/dbraw/zinc/61/13/50/1170611350.db2.gz	SJXNVSWZPMULLP-UHFFFAOYSA-N	-1	0	319.273	0.472	20	30		DCEDRM
N#CCCN(CCN1CCOCC1)C(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001608183298	1170611713	/nfs/dbraw/zinc/61/17/13/1170611713.db2.gz	XUVBZDOMSSPECQ-UHFFFAOYSA-N	-1	0	320.349	0.401	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@H]1CC(c2cccnc2)=NO1	ZINC001608185250	1170611984	/nfs/dbraw/zinc/61/19/84/1170611984.db2.gz	JJLZOEITAHKQRH-GFCCVEGCSA-N	-1	0	302.290	0.401	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)c2ccc(C(=O)[O-])[nH]2)C(N)=O)cc1	ZINC001608203388	1170614991	/nfs/dbraw/zinc/61/49/91/1170614991.db2.gz	JVGDFVJSCULYNV-GFCCVEGCSA-N	-1	0	313.269	0.968	20	30		DCEDRM
N#Cc1ccc([C@@H]2CN(Cn3cc(C(=O)[O-])nn3)CCO2)cc1	ZINC001608203744	1170615324	/nfs/dbraw/zinc/61/53/24/1170615324.db2.gz	IFHYMGPDMKXTEH-AWEZNQCLSA-N	-1	0	313.317	0.879	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)[C@H]2CCCC(=O)N2)C(=O)[O-])c1	ZINC001608216638	1170617139	/nfs/dbraw/zinc/61/71/39/1170617139.db2.gz	PGNKVUDAOWJFTF-DGCLKSJQSA-N	-1	0	302.286	0.896	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1	ZINC001608217956	1170617394	/nfs/dbraw/zinc/61/73/94/1170617394.db2.gz	AJEWRFUSVGUXBJ-DGCLKSJQSA-N	-1	0	324.358	0.574	20	30		DCEDRM
N#Cc1cccc([C@H](OC(=O)[C@H]2CCCC(=O)N2)C(=O)[O-])c1	ZINC001608216639	1170617614	/nfs/dbraw/zinc/61/76/14/1170617614.db2.gz	PGNKVUDAOWJFTF-YPMHNXCESA-N	-1	0	302.286	0.896	20	30		DCEDRM
N#Cc1ccccc1/C=C/C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001608221368	1170618348	/nfs/dbraw/zinc/61/83/48/1170618348.db2.gz	TZKPDYFJMQHMHS-AATRIKPKSA-N	-1	0	323.312	0.945	20	30		DCEDRM
N#Cc1ccccc1OC[C@@H](O)CN1CCOC[C@H]1C(=O)[O-]	ZINC001608219343	1170618412	/nfs/dbraw/zinc/61/84/12/1170618412.db2.gz	QQSBLLKAVDZVOM-STQMWFEESA-N	-1	0	306.318	0.083	20	30		DCEDRM
N#Cc1cnccc1N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001608222520	1170618715	/nfs/dbraw/zinc/61/87/15/1170618715.db2.gz	TUEQZYZBMIHERI-OJAKKHQRSA-N	-1	0	314.345	0.403	20	30		DCEDRM
N#Cc1cnc(NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CCC2)cn1	ZINC001608223230	1170619800	/nfs/dbraw/zinc/61/98/00/1170619800.db2.gz	WBNDJELSCUXQHS-WDEREUQCSA-N	-1	0	315.333	0.520	20	30		DCEDRM
O=C([O-])[C@@H]1CCCN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC001608802888	1170757851	/nfs/dbraw/zinc/75/78/51/1170757851.db2.gz	TUQNGHSLSREARU-AWEZNQCLSA-N	-1	0	312.325	0.835	20	30		DCEDRM
C#C[C@H](NC(=O)c1sccc1-c1nn[nH]n1)[C@@H]1CCCO1	ZINC001609019191	1170785181	/nfs/dbraw/zinc/78/51/81/1170785181.db2.gz	PASKPDAVDAARDA-UWVGGRQHSA-N	-1	0	303.347	0.839	20	30		DCEDRM
C#C[C@H](NC(=O)c1cc(-c2nn[nH]n2)oc1C)[C@@H]1CCCO1	ZINC001609018783	1170785396	/nfs/dbraw/zinc/78/53/96/1170785396.db2.gz	GETSEEWBVUHUMW-QWRGUYRKSA-N	-1	0	301.306	0.679	20	30		DCEDRM
C#C[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1	ZINC001609054310	1170793966	/nfs/dbraw/zinc/79/39/66/1170793966.db2.gz	GHBMTCYZVGXNSI-MRVPVSSYSA-N	-1	0	310.331	0.932	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC001609055971	1170794637	/nfs/dbraw/zinc/79/46/37/1170794637.db2.gz	ILUUNKFTGUFDQK-UHFFFAOYSA-N	-1	0	323.334	0.128	20	30		DCEDRM
C#CCCS(=O)(=O)Oc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC001609137488	1170825324	/nfs/dbraw/zinc/82/53/24/1170825324.db2.gz	XXYWHCAVKWCBOY-UHFFFAOYSA-N	-1	0	312.299	0.903	20	30		DCEDRM
C#CCOc1cccc(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1	ZINC001609174947	1170846401	/nfs/dbraw/zinc/84/64/01/1170846401.db2.gz	SGUSSSBGTHMCQZ-WCQYABFASA-N	-1	0	318.329	0.998	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC001609442960	1170979108	/nfs/dbraw/zinc/97/91/08/1170979108.db2.gz	MJJPRLKFDWITQT-NSHDSACASA-N	-1	0	320.301	0.403	20	30		DCEDRM
C=CCn1c(C)cc(C(=O)CN2C[C@@H](O)C[C@H]2C(=O)[O-])c1C	ZINC001609470321	1170990288	/nfs/dbraw/zinc/99/02/88/1170990288.db2.gz	NUNIYWCFGVBXDF-JSGCOSHPSA-N	-1	0	306.362	0.993	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC001609489139	1170996191	/nfs/dbraw/zinc/99/61/91/1170996191.db2.gz	UOHMRBJYKSDDOZ-ZDUSSCGKSA-N	-1	0	320.345	0.837	20	30		DCEDRM
CC(=O)c1[nH]c(CC(=O)N(CC#N)CC#N)c(C(=O)[O-])c1C	ZINC001609627111	1171054073	/nfs/dbraw/zinc/05/40/73/1171054073.db2.gz	KUWBBPKJNPSINU-UHFFFAOYSA-N	-1	0	302.290	0.642	20	30		DCEDRM
CC(C)(C)[C@](C)(C#N)NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001609653867	1171061618	/nfs/dbraw/zinc/06/16/18/1171061618.db2.gz	XRVCRXNRDGNTIJ-LBPRGKRZSA-N	-1	0	314.367	0.574	20	30		DCEDRM
C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1	ZINC001609734972	1171075970	/nfs/dbraw/zinc/07/59/70/1171075970.db2.gz	GVPUMNJKDRNSIF-LLVKDONJSA-N	-1	0	317.345	0.885	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001610000090	1171133963	/nfs/dbraw/zinc/13/39/63/1171133963.db2.gz	INNTYOISIDQMDG-LLVKDONJSA-N	-1	0	315.395	0.653	20	30		DCEDRM
CN(C)c1cc(F)c(C(=O)N(CC#N)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC001610104981	1171157285	/nfs/dbraw/zinc/15/72/85/1171157285.db2.gz	QLTMRKBTBAFNAK-UHFFFAOYSA-N	-1	0	324.268	0.850	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C#N)CCc1ccccc1	ZINC001610182951	1171190678	/nfs/dbraw/zinc/19/06/78/1171190678.db2.gz	USPVKRGQYDPQQG-ZDUSSCGKSA-N	-1	0	318.329	0.845	20	30		DCEDRM
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](CF)C(=O)[O-])CC2)o1	ZINC001610551567	1171253049	/nfs/dbraw/zinc/25/30/49/1171253049.db2.gz	JMERQRDAJBRICZ-SNVBAGLBSA-N	-1	0	324.312	0.610	20	30		DCEDRM
N#CC1(CNC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1	ZINC001610619043	1171270227	/nfs/dbraw/zinc/27/02/27/1171270227.db2.gz	FBKSYLTXOQVPBN-SECBINFHSA-N	-1	0	304.310	0.236	20	30		DCEDRM
N#CC1CCC(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC001610619960	1171270519	/nfs/dbraw/zinc/27/05/19/1171270519.db2.gz	FWGLXJQWHVMZAR-UHFFFAOYSA-N	-1	0	321.377	0.756	20	30		DCEDRM
N#C[C@H]1CSCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001610620492	1171270862	/nfs/dbraw/zinc/27/08/62/1171270862.db2.gz	HYNWDBNMDUGKSU-ZETCQYMHSA-N	-1	0	301.349	0.343	20	30		DCEDRM
N#Cc1cc(=O)n(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)cn1	ZINC001610624194	1171271055	/nfs/dbraw/zinc/27/10/55/1171271055.db2.gz	MPAFIWLWNDSROX-GFCCVEGCSA-N	-1	0	315.285	0.253	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)C1=Cc2ccccc2OC1	ZINC001610622486	1171271145	/nfs/dbraw/zinc/27/11/45/1171271145.db2.gz	QQDYBAJUUGUPSG-UHFFFAOYSA-N	-1	0	308.315	0.660	20	30		DCEDRM
N#Cc1cccc([C@H]2CN(CC(=O)NCCC(=O)[O-])CCO2)c1	ZINC001610631288	1171272343	/nfs/dbraw/zinc/27/23/43/1171272343.db2.gz	ADAXTTPRBXJYLB-CQSZACIVSA-N	-1	0	317.345	0.522	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1	ZINC001610629015	1171272670	/nfs/dbraw/zinc/27/26/70/1171272670.db2.gz	KGSOOVKVACXOMC-DGCLKSJQSA-N	-1	0	303.318	0.264	20	30		DCEDRM
CCCCOCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001626960571	1171493622	/nfs/dbraw/zinc/49/36/22/1171493622.db2.gz	CRFNARNXBGDVEJ-UHFFFAOYSA-N	-1	0	308.338	0.144	20	30		DCEDRM
C#CCC1(O)CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001633141114	1171634000	/nfs/dbraw/zinc/63/40/00/1171634000.db2.gz	RMIBWXJJTGZSJJ-UHFFFAOYSA-N	-1	0	300.318	0.013	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NOCCN1CCCC1=O	ZINC001641575055	1171921185	/nfs/dbraw/zinc/92/11/85/1171921185.db2.gz	JJVQLVRFNIETEF-UHFFFAOYSA-N	-1	0	304.306	0.251	20	30		DCEDRM
COc1cccc([S@@](=O)C=C([O-])n2ncc(C#N)c2N)c1	ZINC001642524880	1171948623	/nfs/dbraw/zinc/94/86/23/1171948623.db2.gz	QYKHKVGGMRQGGI-NRFANRHFSA-N	-1	0	304.331	0.794	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)c2ccsc2S(N)(=O)=O)c1	ZINC001643520353	1171979427	/nfs/dbraw/zinc/97/94/27/1171979427.db2.gz	HQOFFKIOCKSXID-UHFFFAOYSA-N	-1	0	323.355	0.991	20	30		DCEDRM
C=CCOc1ccc(CC(=O)N[C@@H](COC)c2nnn[n-]2)cc1	ZINC001645319239	1172035712	/nfs/dbraw/zinc/03/57/12/1172035712.db2.gz	CJPRISPOCNEJOW-ZDUSSCGKSA-N	-1	0	317.349	0.811	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC001645762327	1172129385	/nfs/dbraw/zinc/12/93/85/1172129385.db2.gz	XIKSTAQYEPACKS-LLVKDONJSA-N	-1	0	308.359	0.963	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCO1	ZINC001646053191	1172233294	/nfs/dbraw/zinc/23/32/94/1172233294.db2.gz	YANQKDKRMFPJGJ-NXEZZACHSA-N	-1	0	318.333	0.019	20	30		DCEDRM
Cc1[n-]n(-c2ccc(S(N)(=O)=O)cc2)c(=O)c1CCC#N	ZINC001647072477	1172658122	/nfs/dbraw/zinc/65/81/22/1172658122.db2.gz	HHAQHROAOYHTOY-GFCCVEGCSA-N	-1	0	306.347	0.976	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](C2CC2)[C@H]2CCCCO2)c(C#N)c1=O	ZINC001647628030	1173006568	/nfs/dbraw/zinc/00/65/68/1173006568.db2.gz	ASHHGEAODJAKFE-NEPJUHHUSA-N	-1	0	304.350	0.705	20	30		DCEDRM
Cc1ccccc1OCCN(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001650230729	1173525128	/nfs/dbraw/zinc/52/51/28/1173525128.db2.gz	NZUMFFKLZPIGPU-UHFFFAOYSA-N	-1	0	314.345	0.769	20	30		DCEDRM
N#Cc1cccc(C2(NCc3cc(=O)n4[n-]c(N)nc4n3)CC2)c1	ZINC001654427663	1173805326	/nfs/dbraw/zinc/80/53/26/1173805326.db2.gz	GVZJMEVAPWVPLR-UHFFFAOYSA-N	-1	0	321.344	0.650	20	30		DCEDRM
N#C[C@]1(F)CCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC001654979747	1173813267	/nfs/dbraw/zinc/81/32/67/1173813267.db2.gz	QARLHUZHGOSOCM-LLVKDONJSA-N	-1	0	315.282	0.927	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)Nc1ncccc1OCCCC#N	ZINC001669047144	1174882857	/nfs/dbraw/zinc/88/28/57/1174882857.db2.gz	GBQRZAKLBWKVAT-UHFFFAOYSA-N	-1	0	307.310	0.563	20	30		DCEDRM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC#CCO)cc1Cl	ZINC001670059246	1174976775	/nfs/dbraw/zinc/97/67/75/1174976775.db2.gz	GCXFREIJIRQSAG-UHFFFAOYSA-N	-1	0	322.701	0.661	20	30		DCEDRM
C=CCCCN1CC2(C1)C[C@H](NC(=O)c1[nH]nc(C)c1[O-])CO2	ZINC001673557337	1175213521	/nfs/dbraw/zinc/21/35/21/1175213521.db2.gz	XOEGMBWAUQDYDX-LBPRGKRZSA-N	-1	0	320.393	0.963	20	30		DCEDRM
N#CCNC[C@H]1C[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001675818323	1175394433	/nfs/dbraw/zinc/39/44/33/1175394433.db2.gz	FYIDDXZSZNXVPP-KYZUINATSA-N	-1	0	301.306	0.550	20	30		DCEDRM
C=C[C@H](C)[C@@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1	ZINC001679099352	1175700489	/nfs/dbraw/zinc/70/04/89/1175700489.db2.gz	XFEZVVXFNPPZAU-USZNOCQGSA-N	-1	0	305.382	0.888	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@@H]2C=CCCC2)c(=O)[n-]c1=O	ZINC001680384737	1175813929	/nfs/dbraw/zinc/81/39/29/1175813929.db2.gz	QRFVKZDRSAFRPS-LLVKDONJSA-N	-1	0	303.322	0.228	20	30		DCEDRM
CN(CC#N)C[C@H]1CCCN1C(=O)c1c[n-]n2c1nccc2=O	ZINC001700358981	1178594994	/nfs/dbraw/zinc/59/49/94/1178594994.db2.gz	DMIWOJWXHDWCQO-LLVKDONJSA-N	-1	0	314.349	0.083	20	30		DCEDRM
C=CCCC(=O)N[C@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001713092395	1180679538	/nfs/dbraw/zinc/67/95/38/1180679538.db2.gz	XQMRORXPIYLQAC-NSHDSACASA-N	-1	0	305.382	0.947	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001717362091	1182799886	/nfs/dbraw/zinc/79/98/86/1182799886.db2.gz	ITZIABKNZVEPAS-NSHDSACASA-N	-1	0	309.370	0.136	20	30		DCEDRM
C#CCCCC(=O)NC[C@H](NC(=O)c1cn[nH]n1)C(C)(C)C	ZINC001718814015	1183363329	/nfs/dbraw/zinc/36/33/29/1183363329.db2.gz	VPORCOQBKSOTCV-LBPRGKRZSA-N	-1	0	305.382	0.869	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@H](C)N(C)CC#N)cc1=O	ZINC001725174329	1184706284	/nfs/dbraw/zinc/70/62/84/1184706284.db2.gz	QPCSERUEDWRYDD-LBPRGKRZSA-N	-1	0	307.398	0.335	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NC(=O)C#CC(C)C)c1[O-]	ZINC001725914122	1185046108	/nfs/dbraw/zinc/04/61/08/1185046108.db2.gz	KWDCKPWPXXLNMD-NXEZZACHSA-N	-1	0	306.366	0.706	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001725963912	1185058002	/nfs/dbraw/zinc/05/80/02/1185058002.db2.gz	MDWKBKZKZQUIEZ-PSLIRLAXSA-N	-1	0	324.381	0.328	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1c(OC)cccc1OC)C(=O)[O-]	ZINC000274982242	1187189367	/nfs/dbraw/zinc/18/93/67/1187189367.db2.gz	JSWSUEQGASORCT-VIFPVBQESA-N	-1	0	313.331	0.459	20	30		DCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001737655657	1187381478	/nfs/dbraw/zinc/38/14/78/1187381478.db2.gz	XBVYYYAXXCINNX-MWLCHTKSSA-N	-1	0	322.365	0.087	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001738884069	1187685601	/nfs/dbraw/zinc/68/56/01/1187685601.db2.gz	HJPQOJCOWNNHPG-JTQLQIEISA-N	-1	0	324.381	0.233	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](NC(=O)C#CC(C)C)C[C@@H]2C)c1[O-]	ZINC001738952648	1187709363	/nfs/dbraw/zinc/70/93/63/1187709363.db2.gz	WUTAHCINNOYINJ-CMPLNLGQSA-N	-1	0	318.377	0.802	20	30		DCEDRM
C=CCCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21	ZINC001744553196	1188217190	/nfs/dbraw/zinc/21/71/90/1188217190.db2.gz	CDHCIGMCFZPJEC-IAZYJMLFSA-N	-1	0	304.350	0.577	20	30		DCEDRM
C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001753305404	1188561270	/nfs/dbraw/zinc/56/12/70/1188561270.db2.gz	MZYMFMAOZXXQMA-TXEJJXNPSA-N	-1	0	303.366	0.489	20	30		DCEDRM
C=CCOCC(=O)NC[C@]1(C)CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001754725540	1188911931	/nfs/dbraw/zinc/91/19/31/1188911931.db2.gz	ZCHZKYSOSJXNGK-HNNXBMFYSA-N	-1	0	323.397	0.431	20	30		DCEDRM
C=CCCCC(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001755062641	1189011652	/nfs/dbraw/zinc/01/16/52/1189011652.db2.gz	BWUIKPQNTCLOJP-NSHDSACASA-N	-1	0	321.381	0.326	20	30		DCEDRM
COC[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccc1	ZINC001772112616	1190610273	/nfs/dbraw/zinc/61/02/73/1190610273.db2.gz	CRACMXJBDXKJGG-LBPRGKRZSA-N	-1	0	300.318	0.745	20	30		DCEDRM
CC1(C)C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(CC#N)C1	ZINC001089431031	751384796	/nfs/dbraw/zinc/38/47/96/751384796.db2.gz	XIFKAJJBDRMEQN-SECBINFHSA-N	-1	0	320.353	0.027	20	30		DCEDRM
N#Cc1nc(N[C@@H]2CO[N-]C2=O)c(-c2ccccc2)nc1C#N	ZINC001167513944	747349928	/nfs/dbraw/zinc/34/99/28/747349928.db2.gz	QQDKUHCQHLFCAQ-GFCCVEGCSA-N	-1	0	306.285	0.729	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CNc2cc(C)ncc2C#N)c1[O-]	ZINC001107688236	752220756	/nfs/dbraw/zinc/22/07/56/752220756.db2.gz	FOPWDCJFYLXABP-SECBINFHSA-N	-1	0	314.349	0.651	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC(=O)OC(C)(C)C	ZINC001224670601	750200186	/nfs/dbraw/zinc/20/01/86/750200186.db2.gz	ASYXLGGNSIKKFY-SNVBAGLBSA-N	-1	0	310.368	0.804	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(C#N)cn2)c1[O-]	ZINC001112990956	762074151	/nfs/dbraw/zinc/07/41/51/762074151.db2.gz	NCMFWMKNTDKTHA-HTQZYQBOSA-N	-1	0	315.337	0.704	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCNc2cnc(C#N)cn2)c1[O-]	ZINC001106283442	751085526	/nfs/dbraw/zinc/08/55/26/751085526.db2.gz	KUORHQOTDGCAJW-MRVPVSSYSA-N	-1	0	315.337	0.706	20	30		DCEDRM
C#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001071999397	762286420	/nfs/dbraw/zinc/28/64/20/762286420.db2.gz	NPZLYVZFEOHTEI-PWSUYJOCSA-N	-1	0	318.377	0.804	20	30		DCEDRM
N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3oc(=O)nc-3[n-]1)C2	ZINC001096339983	754712189	/nfs/dbraw/zinc/71/21/89/754712189.db2.gz	FABAMNUEOMGDBH-MIMYLULJSA-N	-1	0	313.317	0.787	20	30		DCEDRM
C=CCCCC(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001108168461	754854073	/nfs/dbraw/zinc/85/40/73/754854073.db2.gz	ASCGBCGZPHRDFR-HNNXBMFYSA-N	-1	0	323.397	0.574	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)Nc2cncc(C#N)n2)c1[O-]	ZINC001097806309	755750066	/nfs/dbraw/zinc/75/00/66/755750066.db2.gz	ZTPMJGRXOHXNKY-ZETCQYMHSA-N	-1	0	301.310	0.316	20	30		DCEDRM
C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001080775683	756343665	/nfs/dbraw/zinc/34/36/65/756343665.db2.gz	VQSZYQBUVZGLBS-MWLCHTKSSA-N	-1	0	300.318	0.612	20	30		DCEDRM
CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ccc(C#N)[nH]1	ZINC001085553257	759033428	/nfs/dbraw/zinc/03/34/28/759033428.db2.gz	AOBWVMJCCUCYEP-SNVBAGLBSA-N	-1	0	315.337	0.057	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C[C@H]2C=CCCC2)c(=O)[n-]c1=O	ZINC001148392813	767970491	/nfs/dbraw/zinc/97/04/91/767970491.db2.gz	JROMKMCQJZEZLF-NSHDSACASA-N	-1	0	302.334	0.683	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001148499245	768004828	/nfs/dbraw/zinc/00/48/28/768004828.db2.gz	APFZZRGSYAGGTL-UHFFFAOYSA-N	-1	0	306.253	0.479	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1Cc1n[nH]c(=O)[n-]1	ZINC001098982743	762771097	/nfs/dbraw/zinc/77/10/97/762771097.db2.gz	NHSYOFDHOKHSOC-QWRGUYRKSA-N	-1	0	320.397	0.777	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@@H](C)Nc2cnc(C#N)cn2)c1[O-]	ZINC001098985469	762773411	/nfs/dbraw/zinc/77/34/11/762773411.db2.gz	WKAGSLUHAOHWJG-MRVPVSSYSA-N	-1	0	315.337	0.706	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCC#N)C2)c1[O-]	ZINC001099241250	762843134	/nfs/dbraw/zinc/84/31/34/762843134.db2.gz	UWCTVITUDSBHHT-HTQZYQBOSA-N	-1	0	317.271	0.540	20	30		DCEDRM
C=CC(C)(C)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001099849827	763077544	/nfs/dbraw/zinc/07/75/44/763077544.db2.gz	JQGCHDHVNXGBQD-WDEREUQCSA-N	-1	0	323.397	0.164	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)c1C#N	ZINC001116684343	765897828	/nfs/dbraw/zinc/89/78/28/765897828.db2.gz	BJZAZTWXXUNVDU-UHFFFAOYSA-N	-1	0	317.334	0.672	20	30		DCEDRM
Cc1cc(C=NNCC(=O)[O-])c(C)n1CCN1CCOCC1	ZINC001117742601	766137244	/nfs/dbraw/zinc/13/72/44/766137244.db2.gz	UVVQPBWMUXJJDH-UHFFFAOYSA-N	-1	0	308.382	0.445	20	30		DCEDRM
C=CCCC(C)(C)CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001119336847	766636149	/nfs/dbraw/zinc/63/61/49/766636149.db2.gz	VHPWVGQFAZPHNA-NSHDSACASA-N	-1	0	312.366	0.407	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cccnc2-n2cccn2)[n-]c1C#N	ZINC001143815283	766716544	/nfs/dbraw/zinc/71/65/44/766716544.db2.gz	RWBFCYUUXHXPQV-UHFFFAOYSA-N	-1	0	304.273	0.986	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccccc1CN1CCOCC1)C(=O)[O-]	ZINC001119581303	766738108	/nfs/dbraw/zinc/73/81/08/766738108.db2.gz	CAMAEHBOLGPSBT-OAHLLOKOSA-N	-1	0	316.357	0.725	20	30		DCEDRM
C#CC[NH+]1CCC(C(=O)N2CCC[C@]2(COC)C(=O)[O-])CC1	ZINC001119581874	766739405	/nfs/dbraw/zinc/73/94/05/766739405.db2.gz	OGXUGSGWQWXZQZ-INIZCTEOSA-N	-1	0	308.378	0.424	20	30		DCEDRM
C#Cc1cncc(C(=O)N2CCC(C(=O)[O-])([S@](C)=O)CC2)c1	ZINC001119644309	766759844	/nfs/dbraw/zinc/75/98/44/766759844.db2.gz	HYPFMYKVQLHHLP-QFIPXVFZSA-N	-1	0	320.370	0.501	20	30		DCEDRM
C#C[C@H](C)N(C)c1nnc(-c2cc(=O)n(C)[n-]2)n1CCOC	ZINC001122389655	767791095	/nfs/dbraw/zinc/79/10/95/767791095.db2.gz	IKFJPGATXGWDRO-JTQLQIEISA-N	-1	0	304.354	0.489	20	30		DCEDRM
COc1cccc(CN2CCO[C@H](C#N)C2)c1OCC(=O)[O-]	ZINC001139269605	768464558	/nfs/dbraw/zinc/46/45/58/768464558.db2.gz	MPUFDGHIBSYJNJ-GFCCVEGCSA-N	-1	0	306.318	0.883	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(C(N)=O)cn1	ZINC001230893207	768903243	/nfs/dbraw/zinc/90/32/43/768903243.db2.gz	STKOOJZKXCJWLF-SNVBAGLBSA-N	-1	0	316.335	0.018	20	30		DCEDRM
C=CCOCC(COCC=C)Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233934075	769500841	/nfs/dbraw/zinc/50/08/41/769500841.db2.gz	GOMGAYOPXSMCTE-UHFFFAOYSA-N	-1	0	306.322	0.799	20	30		DCEDRM
Nc1nonc1C(=N[O-])Nc1ccc(N2CCOCC2)cc1	ZINC001174702124	769786267	/nfs/dbraw/zinc/78/62/67/769786267.db2.gz	PPAOHUSNQZLEHX-UHFFFAOYSA-N	-1	0	304.310	0.736	20	30		DCEDRM
CCN(CC#N)[C@H](C)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001157058446	771524327	/nfs/dbraw/zinc/52/43/27/771524327.db2.gz	XZGGUUSZRUYSPN-SECBINFHSA-N	-1	0	322.331	0.794	20	30		DCEDRM
C[C@@]1(O)C=C[C@@H](O)C(C(=O)Nc2cc(C#N)c(F)cc2[O-])=C1	ZINC001183542568	771659949	/nfs/dbraw/zinc/65/99/49/771659949.db2.gz	RSBNQIRJDSFGLE-IUODEOHRSA-N	-1	0	304.277	0.950	20	30		DCEDRM
Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NCS(=O)(=O)[O-]	ZINC001183890990	771713301	/nfs/dbraw/zinc/71/33/01/771713301.db2.gz	FHQFWEAJHTUHHJ-UHFFFAOYSA-N	-1	0	307.331	0.852	20	30		DCEDRM
O=C(CCC(=O)N1CC(=O)N(C2CC2)C(=O)C1)C1=CC=C[CH]1	ZINC001184240563	771762127	/nfs/dbraw/zinc/76/21/27/771762127.db2.gz	BTCFTZVBQFCRPJ-UHFFFAOYSA-N	-1	0	301.322	0.396	20	30		DCEDRM
CCOC(=O)[C@H]1CN(C(=O)CCC(=O)C2=CC=C[CH]2)CCO1	ZINC001184243038	771762475	/nfs/dbraw/zinc/76/24/75/771762475.db2.gz	BVRGSQSBJGVOAO-CQSZACIVSA-N	-1	0	306.338	0.827	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)CCC(=O)C2=CC=C[CH]2)CCN1C	ZINC001184243064	771762766	/nfs/dbraw/zinc/76/27/66/771762766.db2.gz	CVTISKHKUZHHBM-ZDUSSCGKSA-N	-1	0	305.354	0.352	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nc(Cl)nc(OC)n1	ZINC001158965509	771840021	/nfs/dbraw/zinc/84/00/21/771840021.db2.gz	UDNYZZWTQJSDSJ-UHFFFAOYSA-N	-1	0	309.673	0.960	20	30		DCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1ccc(Cn2ccnn2)o1	ZINC001159641806	771938207	/nfs/dbraw/zinc/93/82/07/771938207.db2.gz	QSZLRJQUYDBNIX-JTQLQIEISA-N	-1	0	305.294	0.029	20	30		DCEDRM
CC(C)(S)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001185623111	771942102	/nfs/dbraw/zinc/94/21/02/771942102.db2.gz	ALPUZCUSPHJKJU-UHFFFAOYSA-N	-1	0	313.408	0.853	20	30		DCEDRM
C[C@@H](Cc1ccc(O)c(O)c1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001186079643	771991876	/nfs/dbraw/zinc/99/18/76/771991876.db2.gz	LKWSZKDOWHAIQY-QMMMGPOBSA-N	-1	0	316.317	0.400	20	30		DCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)c1nccs1	ZINC001187852868	772234730	/nfs/dbraw/zinc/23/47/30/772234730.db2.gz	BITQSBXQUCCSFM-UHFFFAOYSA-N	-1	0	306.332	0.858	20	30		DCEDRM
COC(=O)CCS(=O)(=O)[N-]c1cc(Cl)cnc1C#N	ZINC001188360190	772299433	/nfs/dbraw/zinc/29/94/33/772299433.db2.gz	JZRWJSMEFYXVEE-UHFFFAOYSA-N	-1	0	303.727	0.911	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001162480781	772378644	/nfs/dbraw/zinc/37/86/44/772378644.db2.gz	RYALDYJIALSXIX-AAEUAGOBSA-N	-1	0	314.349	0.396	20	30		DCEDRM
COc1ccc(C#N)c(C(=O)n2[n-]c3ccnc(=O)c-3c2N)c1	ZINC001189094333	772421310	/nfs/dbraw/zinc/42/13/10/772421310.db2.gz	DMPSXIOQKAKGBT-UHFFFAOYSA-N	-1	0	309.285	0.827	20	30		DCEDRM
COc1nc(S(=O)(=O)[N-]c2cnc(C#N)cn2)ccc1F	ZINC001190057302	772580317	/nfs/dbraw/zinc/58/03/17/772580317.db2.gz	FDNPRSYQGSKZIT-UHFFFAOYSA-N	-1	0	309.282	0.692	20	30		DCEDRM
COC(=O)c1scc(C#N)c1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190689428	772665014	/nfs/dbraw/zinc/66/50/14/772665014.db2.gz	GVYFEVLVUYFWOD-UHFFFAOYSA-N	-1	0	312.332	0.930	20	30		DCEDRM
Cc1noc(NC(=O)c2cncc(N3CCOCC3)n2)c1C#N	ZINC001190761893	772668039	/nfs/dbraw/zinc/66/80/39/772668039.db2.gz	SWHFBCKTKGVZBH-UHFFFAOYSA-N	-1	0	314.305	0.734	20	30		DCEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)NCC[P@](=O)([O-])O)c1	ZINC001190989295	772704647	/nfs/dbraw/zinc/70/46/47/772704647.db2.gz	YREZZZUGXXPMOW-UHFFFAOYSA-N	-1	0	324.682	0.668	20	30		DCEDRM
COC(=O)[C@H]([N-]S(=O)(=O)CC#N)c1ccccc1Cl	ZINC001192993807	772985555	/nfs/dbraw/zinc/98/55/55/772985555.db2.gz	KYOSWIYCPSRFQQ-SNVBAGLBSA-N	-1	0	302.739	0.997	20	30		DCEDRM
COc1cc(C(N)=O)c([N-]S(=O)(=O)CC#N)c(F)c1OC	ZINC001192972424	772989479	/nfs/dbraw/zinc/98/94/79/772989479.db2.gz	YDNVJOLBFDSZLW-UHFFFAOYSA-N	-1	0	317.298	0.207	20	30		DCEDRM
COC(=O)C[C@H]([N-]S(=O)(=O)[C@H](C)C#N)C(=O)OC(C)(C)C	ZINC001193172449	773012964	/nfs/dbraw/zinc/01/29/64/773012964.db2.gz	BGLLRGLEVNXXQB-BDAKNGLRSA-N	-1	0	320.367	0.091	20	30		DCEDRM
COc1ccc(C#N)c(S(=O)(=O)[N-]c2cn(C)nc2C#N)c1	ZINC001193644629	773094251	/nfs/dbraw/zinc/09/42/51/773094251.db2.gz	MAKLIXFAVZZLFK-UHFFFAOYSA-N	-1	0	317.330	0.973	20	30		DCEDRM
N#CCCCCO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001205665477	773196297	/nfs/dbraw/zinc/19/62/97/773196297.db2.gz	YXWLTQZSPPPNPU-LBPRGKRZSA-N	-1	0	306.384	0.285	20	30		DCEDRM
O=C(NCc1nnn[n-]1)c1ccc(C#CBr)cc1	ZINC001194818093	773265601	/nfs/dbraw/zinc/26/56/01/773265601.db2.gz	SNORREAUBDXQOY-UHFFFAOYSA-N	-1	0	306.123	0.834	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)cc2[O-])CCN1C	ZINC001195751855	773476946	/nfs/dbraw/zinc/47/69/46/773476946.db2.gz	YKGGPRVVCOWVJB-LBPRGKRZSA-N	-1	0	303.318	0.193	20	30		DCEDRM
N#Cc1c(N)nc(=NC2CC2)n(-c2cccc(CC(=O)[O-])c2)c1N	ZINC001210069057	773673001	/nfs/dbraw/zinc/67/30/01/773673001.db2.gz	IIGYQHJCJCYWQG-UHFFFAOYSA-N	-1	0	324.344	0.599	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cnc(C)nc1	ZINC001223508892	775496684	/nfs/dbraw/zinc/49/66/84/775496684.db2.gz	OVAOHQFQRJVULE-LBPRGKRZSA-N	-1	0	302.352	0.761	20	30		DCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](OCC[P@@](=O)([O-])O)C1	ZINC001224603575	775586722	/nfs/dbraw/zinc/58/67/22/775586722.db2.gz	AEPBJEXWUAQBBI-VHSXEESVSA-N	-1	0	320.282	0.940	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC/C(C)=C/C(=O)OCC	ZINC001224784300	775605745	/nfs/dbraw/zinc/60/57/45/775605745.db2.gz	RYUGYKCUIZKXNO-YTRUQHMWSA-N	-1	0	322.379	0.971	20	30		DCEDRM
C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1nccc(=O)[n-]1	ZINC001226324135	775800522	/nfs/dbraw/zinc/80/05/22/775800522.db2.gz	IOCMMPCKQSXZJA-JTQLQIEISA-N	-1	0	308.290	0.778	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc([N+](=O)[O-])nc1	ZINC001226710545	775865704	/nfs/dbraw/zinc/86/57/04/775865704.db2.gz	RWPBSXWHFDCMJQ-SNVBAGLBSA-N	-1	0	318.307	0.828	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1[nH]c(=S)ncc1F	ZINC001227383579	775970022	/nfs/dbraw/zinc/97/00/22/775970022.db2.gz	PROXIXGYPNAOGF-ZETCQYMHSA-N	-1	0	324.355	0.742	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(O)ccc1O	ZINC001227403433	775971602	/nfs/dbraw/zinc/97/16/02/775971602.db2.gz	DAEKEQBEKMLNPP-JTQLQIEISA-N	-1	0	304.320	0.936	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccnc1OC	ZINC001228593285	776101193	/nfs/dbraw/zinc/10/11/93/776101193.db2.gz	QXAFGQCGSFRQHU-SNVBAGLBSA-N	-1	0	303.336	0.928	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccnc1OC	ZINC001228593283	776101271	/nfs/dbraw/zinc/10/12/71/776101271.db2.gz	QXAFGQCGSFRQHU-JTQLQIEISA-N	-1	0	303.336	0.928	20	30		DCEDRM
C#C[C@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])C(=O)OCC	ZINC001228610629	776104689	/nfs/dbraw/zinc/10/46/89/776104689.db2.gz	WXNOPOIMSZIKRP-QMMMGPOBSA-N	-1	0	307.262	0.912	20	30		DCEDRM
C=C[C@H](NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CCOCC1	ZINC001465117340	804172490	/nfs/dbraw/zinc/17/24/90/804172490.db2.gz	YXQXWAHSQQNKLU-WOPDTQHZSA-N	-1	0	303.380	0.750	20	30		DCEDRM
Cc1noc([C@@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001600804579	1168300288	/nfs/dbraw/zinc/30/02/88/1168300288.db2.gz	VULXRTHDADEENG-MRVPVSSYSA-N	-1	0	307.310	0.839	20	30		DCEDRM
N#CCc1ccccc1S(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001601078637	1168582981	/nfs/dbraw/zinc/58/29/81/1168582981.db2.gz	UAKPOEYFEPCXLE-UHFFFAOYSA-N	-1	0	307.331	0.742	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cc1	ZINC001601078212	1168583205	/nfs/dbraw/zinc/58/32/05/1168583205.db2.gz	YXGWVQQRQIXOGZ-JQWIXIFHSA-N	-1	0	312.322	0.938	20	30		DCEDRM
C#CC[C@@H](COC)N1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O	ZINC001602683140	1169158179	/nfs/dbraw/zinc/15/81/79/1169158179.db2.gz	JGOKVNUIFTUMME-VTWZXRTESA-N	-1	0	308.334	0.590	20	30		DCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC001602682999	1169158450	/nfs/dbraw/zinc/15/84/50/1169158450.db2.gz	HVLLCJALVVQWDS-JTQLQIEISA-N	-1	0	313.331	0.056	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001602747316	1169178336	/nfs/dbraw/zinc/17/83/36/1169178336.db2.gz	NYJLKRPYJSFZTD-RNJOBUHISA-N	-1	0	312.366	0.851	20	30		DCEDRM
C=CCn1c(COCC)nnc1N1C[C@@H](CC(=O)[O-])[C@H](O)C1	ZINC001602935805	1169212304	/nfs/dbraw/zinc/21/23/04/1169212304.db2.gz	YOLQMZJGXDYNBS-GHMZBOCLSA-N	-1	0	310.354	0.272	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@H](C)CNCC#N)cc1=O	ZINC001267994350	939725136	/nfs/dbraw/zinc/72/51/36/939725136.db2.gz	QLIGMKGHZFUVFH-GFCCVEGCSA-N	-1	0	307.398	0.240	20	30		DCEDRM
C#CCCCCCC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001268862363	940386646	/nfs/dbraw/zinc/38/66/46/940386646.db2.gz	HSSKPSHZSPKWRX-UHFFFAOYSA-N	-1	0	305.382	0.642	20	30		DCEDRM
C#CCN1CC[C@]2(CCCN2C(=O)c2cc([O-])[nH]c(=O)c2)C1=O	ZINC001269381064	940696118	/nfs/dbraw/zinc/69/61/18/940696118.db2.gz	DRZHZMBORXEPAU-MRXNPFEDSA-N	-1	0	315.329	0.333	20	30		DCEDRM
C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)Cc1nnn[n-]1)CC2	ZINC001269578223	940733612	/nfs/dbraw/zinc/73/36/12/940733612.db2.gz	WXKCNBMKBRMIRF-NSHDSACASA-N	-1	0	318.381	0.063	20	30		DCEDRM
Cc1nc([C@H]2CCCN2c2[n-]c(=O)n(C)c(=O)c2C#N)[nH]c1C	ZINC001412909806	942134222	/nfs/dbraw/zinc/13/42/22/942134222.db2.gz	HOJKEYNIHCXKJS-LLVKDONJSA-N	-1	0	314.349	0.627	20	30		DCEDRM
CO[C@](C)(CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001413013683	942199948	/nfs/dbraw/zinc/19/99/48/942199948.db2.gz	WKYFEJBCICAART-OAHLLOKOSA-N	-1	0	320.349	0.142	20	30		DCEDRM
CO[C@@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)CC(C)C	ZINC001413144705	942527247	/nfs/dbraw/zinc/52/72/47/942527247.db2.gz	PPVOXBHOMMMMCY-GFCCVEGCSA-N	-1	0	322.365	0.388	20	30		DCEDRM
C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1cc(=O)[nH][n-]1)CC2	ZINC001272283366	942662257	/nfs/dbraw/zinc/66/22/57/942662257.db2.gz	SNTVANREDACLKB-SNVBAGLBSA-N	-1	0	304.350	0.660	20	30		DCEDRM
C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc(=O)n(C)[n-]1	ZINC001272354554	942712666	/nfs/dbraw/zinc/71/26/66/942712666.db2.gz	LLBJVKVIAJESQB-VXGBXAGGSA-N	-1	0	304.350	0.517	20	30		DCEDRM
CC[C@@H](CC#N)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001255164158	943235012	/nfs/dbraw/zinc/23/50/12/943235012.db2.gz	KELCLKTUQUTNET-UWVGGRQHSA-N	-1	0	311.344	0.695	20	30		DCEDRM
CC(C)C#CC(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001491205810	943832967	/nfs/dbraw/zinc/83/29/67/943832967.db2.gz	FYTLOJLGLOXOIB-GFCCVEGCSA-N	-1	0	305.382	0.640	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(N2CCNC2=O)c1	ZINC001319765790	945661978	/nfs/dbraw/zinc/66/19/78/945661978.db2.gz	GAVGMOTYTHDZES-UHFFFAOYSA-N	-1	0	309.347	0.462	20	30		DCEDRM
Cc1nc2sccc2c(=O)n1N=Cc1cn(CC(=O)[O-])nn1	ZINC001319810085	945670507	/nfs/dbraw/zinc/67/05/07/945670507.db2.gz	YWISSWXZWOPMRD-UHFFFAOYSA-N	-1	0	318.318	0.325	20	30		DCEDRM
C#CCN1CC2(CN(Cc3c(F)ccc(F)c3[O-])C2)OCC1=O	ZINC001273206172	945841657	/nfs/dbraw/zinc/84/16/57/945841657.db2.gz	IYIYHOXMQMFZIG-UHFFFAOYSA-N	-1	0	322.311	0.717	20	30		DCEDRM
CCOC(=O)c1nn(C)cc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001320451045	945884572	/nfs/dbraw/zinc/88/45/72/945884572.db2.gz	IPOIZMTZHNGBBI-UHFFFAOYSA-N	-1	0	322.350	0.028	20	30		DCEDRM
C=C[C@@H]1C[C@]1([N-]S(=O)(=O)CC(F)(F)F)C(=O)OCC	ZINC001253228787	946098828	/nfs/dbraw/zinc/09/88/28/946098828.db2.gz	LMEOBDKKVZFPER-VXNVDRBHSA-N	-1	0	301.286	0.976	20	30		DCEDRM
COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccnc(C#N)c1	ZINC001253948213	946207389	/nfs/dbraw/zinc/20/73/89/946207389.db2.gz	BKAKIZQZFNAIOB-UHFFFAOYSA-N	-1	0	317.326	0.963	20	30		DCEDRM
COCCOCCC(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001322021747	946551688	/nfs/dbraw/zinc/55/16/88/946551688.db2.gz	UXJQXHRPVYBGRD-UHFFFAOYSA-N	-1	0	312.347	0.416	20	30		DCEDRM
C#CCC(CC#C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001602674694	971242243	/nfs/dbraw/zinc/24/22/43/971242243.db2.gz	AJWZWWGKXFVYTA-ZDUSSCGKSA-N	-1	0	304.346	0.231	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001602675207	971246575	/nfs/dbraw/zinc/24/65/75/971246575.db2.gz	MFGOKDPQRGZDNH-SNVBAGLBSA-N	-1	0	308.338	0.599	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c(C)c1)C(=O)[O-]	ZINC001256551633	946641211	/nfs/dbraw/zinc/64/12/11/946641211.db2.gz	VFCLOLNYYKLIKT-SNVBAGLBSA-N	-1	0	312.347	0.402	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC001602678539	971256006	/nfs/dbraw/zinc/25/60/06/971256006.db2.gz	BBDFOFHGJCNHFE-NSHDSACASA-N	-1	0	323.370	0.740	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2c(c1)CCC2	ZINC001602678783	971256877	/nfs/dbraw/zinc/25/68/77/971256877.db2.gz	GMUDAYKIDMGPEX-UHFFFAOYSA-N	-1	0	300.314	0.660	20	30		DCEDRM
C=CC[C@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)c1ccncc1	ZINC001322673283	946766107	/nfs/dbraw/zinc/76/61/07/946766107.db2.gz	WJNAWHIVYWTECZ-JSGCOSHPSA-N	-1	0	319.361	0.899	20	30		DCEDRM
COC(=O)c1nsnc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC001258045671	946795090	/nfs/dbraw/zinc/79/50/90/946795090.db2.gz	UUCRYETWTWYKON-UHFFFAOYSA-N	-1	0	324.343	0.997	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccccc1NS(C)(=O)=O	ZINC001602684376	971280810	/nfs/dbraw/zinc/28/08/10/971280810.db2.gz	YXRAMIGOLTWOJM-UHFFFAOYSA-N	-1	0	324.358	0.147	20	30		DCEDRM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccnc(C#N)c1	ZINC001258352035	946824201	/nfs/dbraw/zinc/82/42/01/946824201.db2.gz	JJAVZNVITVNOBY-UHFFFAOYSA-N	-1	0	311.754	0.871	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CC[C@@H](C(F)(F)F)O1	ZINC001602685649	971282133	/nfs/dbraw/zinc/28/21/33/971282133.db2.gz	CPQPFDICZWUIOA-BDAKNGLRSA-N	-1	0	308.256	0.826	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cccc(C(=O)N(C)C)c1	ZINC001602685834	971283231	/nfs/dbraw/zinc/28/32/31/971283231.db2.gz	GYSIEMHOIBXJTB-UHFFFAOYSA-N	-1	0	317.345	0.618	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1nc(C(F)(F)F)n[nH]1	ZINC001602685911	971284497	/nfs/dbraw/zinc/28/44/97/971284497.db2.gz	LAKPVCJOLJIVSG-UHFFFAOYSA-N	-1	0	305.216	0.053	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc2cc(F)ccc2[nH]c1=O	ZINC001602691751	971298828	/nfs/dbraw/zinc/29/88/28/971298828.db2.gz	XGJPNVLYICQUDQ-UHFFFAOYSA-N	-1	0	302.261	0.827	20	30		DCEDRM
C[C@H]1CN(O)C(=O)[C@H]1NS(=O)(=O)Cc1ccc(Cl)cc1	ZINC001259244414	946930482	/nfs/dbraw/zinc/93/04/82/946930482.db2.gz	FRUOPLXHBLEKBA-KWQFWETISA-N	-1	0	318.782	0.996	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(-c2ccc(F)cc2C)nn1	ZINC001602692747	971305097	/nfs/dbraw/zinc/30/50/97/971305097.db2.gz	YXQAMNVYQLMLPM-UHFFFAOYSA-N	-1	0	316.292	0.875	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1	ZINC001602695698	971311098	/nfs/dbraw/zinc/31/10/98/971311098.db2.gz	QGNKXQGEHMFNDE-LLVKDONJSA-N	-1	0	304.350	0.234	20	30		DCEDRM
N#Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)ccn1	ZINC001260183422	947078194	/nfs/dbraw/zinc/07/81/94/947078194.db2.gz	QHVOPLCEZWKSMJ-UHFFFAOYSA-N	-1	0	303.299	0.874	20	30		DCEDRM
N#C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1F)C(N)=O	ZINC001260204579	947083892	/nfs/dbraw/zinc/08/38/92/947083892.db2.gz	GRDYLFHCEQYIGH-SSDOTTSWSA-N	-1	0	309.681	0.274	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2cn3ccccc3n2)n1C	ZINC001602701034	971325147	/nfs/dbraw/zinc/32/51/47/971325147.db2.gz	SKZHQCHCMOJNHU-UHFFFAOYSA-N	-1	0	324.344	0.578	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)[C@@H]1CCCO1	ZINC001323586416	947134595	/nfs/dbraw/zinc/13/45/95/947134595.db2.gz	BHABIVIRKSBCBO-BDAKNGLRSA-N	-1	0	308.256	0.284	20	30		DCEDRM
C=C[C@H](C(=O)OC)n1cc(CN2CCC(C(=O)[O-])CC2)nn1	ZINC001602713251	971362503	/nfs/dbraw/zinc/36/25/03/971362503.db2.gz	VFLZAWCWZIKQBP-GFCCVEGCSA-N	-1	0	308.338	0.475	20	30		DCEDRM
C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001602717175	971364093	/nfs/dbraw/zinc/36/40/93/971364093.db2.gz	CAFQPUBZJFTBIT-NWDGAFQWSA-N	-1	0	312.366	0.407	20	30		DCEDRM
Cn1ncc2cc(S(=O)(=O)[N-]C(=O)CCCCC#N)cnc21	ZINC001261548913	947343832	/nfs/dbraw/zinc/34/38/32/947343832.db2.gz	FTSGYOYMWSBSIZ-UHFFFAOYSA-N	-1	0	321.362	0.857	20	30		DCEDRM
N#CCCCCS(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1	ZINC001324493438	947440679	/nfs/dbraw/zinc/44/06/79/947440679.db2.gz	RSRWZECYACFHKO-WDEREUQCSA-N	-1	0	304.368	0.168	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC001602722788	971389054	/nfs/dbraw/zinc/38/90/54/971389054.db2.gz	PNCIXXCNQGEBGS-INIZCTEOSA-N	-1	0	304.346	0.790	20	30		DCEDRM
C=CC[N@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1	ZINC001573341131	947526434	/nfs/dbraw/zinc/52/64/34/947526434.db2.gz	IHNDJVPIELVWSY-UHFFFAOYSA-N	-1	0	312.337	0.765	20	30		DCEDRM
C=CCSCCNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001573348599	947586618	/nfs/dbraw/zinc/58/66/18/947586618.db2.gz	SGTKHMZTYRZOLN-UHFFFAOYSA-N	-1	0	320.378	0.925	20	30		DCEDRM
C#CCCN(CCOC)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001263064683	947798060	/nfs/dbraw/zinc/79/80/60/947798060.db2.gz	ICYHABHXWSMPHV-UHFFFAOYSA-N	-1	0	312.366	0.549	20	30		DCEDRM
C=C(C)CN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CCCOCC	ZINC001263359686	947834773	/nfs/dbraw/zinc/83/47/73/947834773.db2.gz	MADVJELRCPRKFX-UHFFFAOYSA-N	-1	0	320.397	0.941	20	30		DCEDRM
CCc1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1O	ZINC001179613980	947877935	/nfs/dbraw/zinc/87/79/35/947877935.db2.gz	KYGVGKDQDGWJBN-UHFFFAOYSA-N	-1	0	314.301	0.727	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1	ZINC001326800742	948281981	/nfs/dbraw/zinc/28/19/81/948281981.db2.gz	OPXMNSPHIMOVMF-SECBINFHSA-N	-1	0	306.322	0.344	20	30		DCEDRM
Cc1cc(F)c(C#N)c(NCCn2cnc(-c3nnn[n-]3)n2)c1	ZINC001570920679	948604404	/nfs/dbraw/zinc/60/44/04/948604404.db2.gz	ZATKTJXQSBYLIM-UHFFFAOYSA-N	-1	0	313.300	0.890	20	30		DCEDRM
CC(=O)c1cccc(C#N)c1O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001602773987	971508213	/nfs/dbraw/zinc/50/82/13/971508213.db2.gz	MPULBMSLTSVNQR-GFCCVEGCSA-N	-1	0	302.286	0.825	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2nnc(N)o2)C1	ZINC001602778665	971512571	/nfs/dbraw/zinc/51/25/71/971512571.db2.gz	JRSJWRGCPGTLTH-ISVAXAHUSA-N	-1	0	307.310	0.362	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](c2nnc(N)o2)C1	ZINC001602778666	971512599	/nfs/dbraw/zinc/51/25/99/971512599.db2.gz	JRSJWRGCPGTLTH-OQPBUACISA-N	-1	0	307.310	0.362	20	30		DCEDRM
C=CC(C)(C)C(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[nH]1	ZINC001264366593	948937109	/nfs/dbraw/zinc/93/71/09/948937109.db2.gz	HNCBYKZANIBFSY-LLVKDONJSA-N	-1	0	307.398	0.353	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C	ZINC001328726055	949057138	/nfs/dbraw/zinc/05/71/38/949057138.db2.gz	GUPKJOUMHHRJRU-NSHDSACASA-N	-1	0	308.338	0.834	20	30		DCEDRM
CO[C@H]1c2ccccc2C[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364564939	949556589	/nfs/dbraw/zinc/55/65/89/949556589.db2.gz	WSOCAWJCYBFUFL-OLZOCXBDSA-N	-1	0	312.329	0.670	20	30		DCEDRM
CC1(C)CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@@H](CO)O1	ZINC001364737365	949849035	/nfs/dbraw/zinc/84/90/35/949849035.db2.gz	HJWQGVWNTNUGAQ-LBPRGKRZSA-N	-1	0	317.349	0.278	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(C(=O)C(=O)Nc1ccc(C#N)cc1)C1CC1	ZINC001602815082	971613637	/nfs/dbraw/zinc/61/36/37/971613637.db2.gz	WOBGGFBDPGORNQ-VIFPVBQESA-N	-1	0	301.302	0.961	20	30		DCEDRM
N#Cc1c(F)cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cc1F	ZINC001548763070	1013095037	/nfs/dbraw/zinc/09/50/37/1013095037.db2.gz	VLRDMIDUEKSXQF-SSDOTTSWSA-N	-1	0	304.260	0.979	20	30		DCEDRM
COC[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)c1nnn[n-]1	ZINC001364814862	949994834	/nfs/dbraw/zinc/99/48/34/949994834.db2.gz	NTAAQLASGRLCGT-LBPRGKRZSA-N	-1	0	315.337	0.255	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001329973573	950025102	/nfs/dbraw/zinc/02/51/02/950025102.db2.gz	VOYNMGIMOGDMKN-QWRGUYRKSA-N	-1	0	323.397	0.428	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CNC(=O)C2)c(F)c1	ZINC001364870871	950108147	/nfs/dbraw/zinc/10/81/47/950108147.db2.gz	JIXBGXJGAKNGQS-MRVPVSSYSA-N	-1	0	315.301	0.251	20	30		DCEDRM
CCC(C)(C)[C@@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001365416713	951102158	/nfs/dbraw/zinc/10/21/58/951102158.db2.gz	SXZGMVCKSGAOLL-SNVBAGLBSA-N	-1	0	321.381	0.944	20	30		DCEDRM
COC(=O)c1coc(C[N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC001365435079	951125345	/nfs/dbraw/zinc/12/53/45/951125345.db2.gz	DGOBADZGQROLTM-UHFFFAOYSA-N	-1	0	311.275	0.404	20	30		DCEDRM
CC(C)n1cc(CNS(=O)(=O)c2ccc(C#N)cn2)nn1	ZINC001365718524	951472601	/nfs/dbraw/zinc/47/26/01/951472601.db2.gz	FABFQKLNZVMEEH-UHFFFAOYSA-N	-1	0	306.351	0.604	20	30		DCEDRM
NC(=O)c1cnc2n1CCN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001274662434	951775003	/nfs/dbraw/zinc/77/50/03/951775003.db2.gz	YLTHBXJKFIVUHA-UHFFFAOYSA-N	-1	0	313.337	0.374	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)[N-]OCc1ccccc1	ZINC001333171410	951943436	/nfs/dbraw/zinc/94/34/36/951943436.db2.gz	XGLRLEZFYRNFMC-CQSZACIVSA-N	-1	0	304.346	0.779	20	30		DCEDRM
C=CC[C@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001333318057	952002792	/nfs/dbraw/zinc/00/27/92/952002792.db2.gz	PGCFHQJZHBMBIN-PWSUYJOCSA-N	-1	0	307.354	0.327	20	30		DCEDRM
C[C@H](CO)N(CC1CCC1)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001575180041	952414662	/nfs/dbraw/zinc/41/46/62/952414662.db2.gz	XEJUKPXKMWZVGE-SECBINFHSA-N	-1	0	314.353	0.516	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CCc2ccsc2)c(=O)[n-]c1=O	ZINC001412376405	952768964	/nfs/dbraw/zinc/76/89/64/952768964.db2.gz	XTIAIGHNHULXJB-UHFFFAOYSA-N	-1	0	318.358	0.631	20	30		DCEDRM
CCC(C)(C)OCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412373666	952770652	/nfs/dbraw/zinc/77/06/52/952770652.db2.gz	MXMBIHJOAIRXQE-UHFFFAOYSA-N	-1	0	308.338	0.142	20	30		DCEDRM
CO[C@H]1COCC[C@@H]1N(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412512380	952858648	/nfs/dbraw/zinc/85/86/48/952858648.db2.gz	FPNIXRSJUQYDOF-RYUDHWBXSA-N	-1	0	305.334	0.843	20	30		DCEDRM
C[C@H]1CC[C@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001412543268	952881926	/nfs/dbraw/zinc/88/19/26/952881926.db2.gz	NTQOSGBJKHIFPV-UMSPYCQHSA-N	-1	0	304.350	0.906	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2CCC(F)(F)C2)c(=O)[n-]c1=O	ZINC001412643443	952962635	/nfs/dbraw/zinc/96/26/35/952962635.db2.gz	PWPAMEYCJUORQI-SECBINFHSA-N	-1	0	312.276	0.515	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C[C@@H]1CCCOC1	ZINC001338946365	953064177	/nfs/dbraw/zinc/06/41/77/953064177.db2.gz	PJQGPXXKVCJHTJ-NSHDSACASA-N	-1	0	318.381	0.551	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN2CCOC[C@H]2C1	ZINC001412809544	953106859	/nfs/dbraw/zinc/10/68/59/953106859.db2.gz	KUOCVUDXKMRLME-GFCCVEGCSA-N	-1	0	302.334	0.124	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)[O-]	ZINC001339861729	953124945	/nfs/dbraw/zinc/12/49/45/953124945.db2.gz	KFVSUBWPEWUTKP-LLVKDONJSA-N	-1	0	312.347	0.817	20	30		DCEDRM
C=CC[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-]	ZINC001339861921	953125343	/nfs/dbraw/zinc/12/53/43/953125343.db2.gz	LNBFMEUSDULIBR-BDAKNGLRSA-N	-1	0	306.384	0.096	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CCOCC2(CC2)C1	ZINC001340587915	953180229	/nfs/dbraw/zinc/18/02/29/953180229.db2.gz	DZHDJUMGYYBCCZ-UHFFFAOYSA-N	-1	0	302.342	0.261	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CC[C@@H](OC(C)C)C1	ZINC001340588401	953180480	/nfs/dbraw/zinc/18/04/80/953180480.db2.gz	NYMKUKRRLBGHQB-SNVBAGLBSA-N	-1	0	304.358	0.648	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](C)[C@@H](F)C1	ZINC001342241706	953278701	/nfs/dbraw/zinc/27/87/01/953278701.db2.gz	RWAMMPIVVTYYPM-UWVGGRQHSA-N	-1	0	306.345	0.872	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)CC(C)(C)C(=O)[O-])C[C@H](C)N1CC#N	ZINC001604803513	1169690352	/nfs/dbraw/zinc/69/03/52/1169690352.db2.gz	SKXDEWNDRIAQTL-PHIMTYICSA-N	-1	0	317.411	0.345	20	30		DCEDRM
C#C[C@H]1CCCCN1c1nnc(CCc2nn[nH]n2)n1CC	ZINC001342939352	953315083	/nfs/dbraw/zinc/31/50/83/953315083.db2.gz	GLVNDLVXURRZIS-NSHDSACASA-N	-1	0	300.370	0.588	20	30		DCEDRM
CS(=O)(=O)Cc1cccc(C([O-])=C(C#N)C(=O)NC2CC2)c1	ZINC001343292764	953334746	/nfs/dbraw/zinc/33/47/46/953334746.db2.gz	XOEXODUPGRSTOW-ZDUSSCGKSA-N	-1	0	320.370	0.832	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC(C)(OC)C1	ZINC001343690640	953366403	/nfs/dbraw/zinc/36/64/03/953366403.db2.gz	MNFZSLSHBSBASX-UHFFFAOYSA-N	-1	0	304.354	0.303	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1	ZINC001602960903	971948640	/nfs/dbraw/zinc/94/86/40/971948640.db2.gz	MGBZGNNWKOXLPH-GFCCVEGCSA-N	-1	0	305.338	0.414	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC001347567551	954123298	/nfs/dbraw/zinc/12/32/98/954123298.db2.gz	NJNVZWBWVRZLJH-AGIUHOORSA-N	-1	0	312.366	0.168	20	30		DCEDRM
CC[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC001589441168	954718039	/nfs/dbraw/zinc/71/80/39/954718039.db2.gz	VNPXHBIJSBTGCA-UONOGXRCSA-N	-1	0	324.425	0.474	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)c1[O-]	ZINC001284010149	954778292	/nfs/dbraw/zinc/77/82/92/954778292.db2.gz	IXBVETSLYUAPCI-NSHDSACASA-N	-1	0	318.377	0.804	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001284332555	955015311	/nfs/dbraw/zinc/01/53/11/955015311.db2.gz	UTRGUWNTBZROEH-GDPRMGEGSA-N	-1	0	322.365	0.249	20	30		DCEDRM
O=C([O-])[C@H]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC000738717068	955251025	/nfs/dbraw/zinc/25/10/25/955251025.db2.gz	JRZIDMXCPYDHFQ-DZOVYVGFSA-N	-1	0	321.333	0.226	20	30		DCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N1CC[C@H](OCC)C1	ZINC001351668999	955377363	/nfs/dbraw/zinc/37/73/63/955377363.db2.gz	KOANPWVKIJAQMO-JTQLQIEISA-N	-1	0	304.358	0.183	20	30		DCEDRM
Cn1c(CCCC#N)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001594518945	955446653	/nfs/dbraw/zinc/44/66/53/955446653.db2.gz	WLJDRJRFGONBTI-QMTHXVAHSA-N	-1	0	305.338	0.199	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC001589022053	955478958	/nfs/dbraw/zinc/47/89/58/955478958.db2.gz	IIUFLNRXFBXXLO-MRVPVSSYSA-N	-1	0	307.281	0.815	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(CCCNC(=O)[C@@H](C)C#N)C2CC2)c1[O-]	ZINC001352603927	955685171	/nfs/dbraw/zinc/68/51/71/955685171.db2.gz	WLDGFNRFCVKKIF-VIFPVBQESA-N	-1	0	319.365	0.694	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001352803157	955772354	/nfs/dbraw/zinc/77/23/54/955772354.db2.gz	PNTOFJMFSYSUNK-QWRGUYRKSA-N	-1	0	322.365	0.346	20	30		DCEDRM
CSc1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001413852799	955802590	/nfs/dbraw/zinc/80/25/90/955802590.db2.gz	VZDOYPSYIMTYGO-UHFFFAOYSA-N	-1	0	317.330	0.576	20	30		DCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)NCc1ccc(C(=O)NO)cc1	ZINC001594565557	955841146	/nfs/dbraw/zinc/84/11/46/955841146.db2.gz	HJCMIJYOJPCROL-UHFFFAOYSA-N	-1	0	318.289	0.167	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)CSCC#N)C2)c1[O-]	ZINC001353554494	956102831	/nfs/dbraw/zinc/10/28/31/956102831.db2.gz	XHRNEYIRPMRDIT-KYZUINATSA-N	-1	0	323.378	0.058	20	30		DCEDRM
N#C[C@]1(c2ccccn2)CCCN(C(=O)COCC(=O)[O-])C1	ZINC001594602307	956145454	/nfs/dbraw/zinc/14/54/54/956145454.db2.gz	LRASYSGPANVLHO-OAHLLOKOSA-N	-1	0	303.318	0.567	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C	ZINC001593929691	956158873	/nfs/dbraw/zinc/15/88/73/956158873.db2.gz	CNCDCRQHBGLAGL-QWHCGFSZSA-N	-1	0	300.311	0.074	20	30		DCEDRM
N#Cc1c(NC(=O)C2(C(=O)[O-])CCOCC2)n[nH]c1C1CC1	ZINC001594611767	956220188	/nfs/dbraw/zinc/22/01/88/956220188.db2.gz	CPLFWNXOCQJVBX-UHFFFAOYSA-N	-1	0	304.306	0.979	20	30		DCEDRM
N#Cc1cc(O)cc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)c1	ZINC001594617145	956246583	/nfs/dbraw/zinc/24/65/83/956246583.db2.gz	DOKAJDDQZSBNOK-NSHDSACASA-N	-1	0	304.258	0.106	20	30		DCEDRM
N#Cc1ccc(N2C[C@H](C(=O)NCC(=O)[O-])CC2=O)cc1Cl	ZINC001594621860	956289020	/nfs/dbraw/zinc/28/90/20/956289020.db2.gz	SXXNPNRVQVSLSO-SECBINFHSA-N	-1	0	321.720	0.765	20	30		DCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CC2CCC(C#N)CC2)c1=O	ZINC001594633867	956359752	/nfs/dbraw/zinc/35/97/52/956359752.db2.gz	YERMIAFCTJZOGV-UHFFFAOYSA-N	-1	0	316.317	0.296	20	30		DCEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001287839378	956495784	/nfs/dbraw/zinc/49/57/84/956495784.db2.gz	UNAVERXTUGLXMI-ZUZCIYMTSA-N	-1	0	324.381	0.233	20	30		DCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc(C#N)[nH]c2C)CCO1	ZINC001593971238	956618443	/nfs/dbraw/zinc/61/84/43/956618443.db2.gz	BHNNEYSEUHVWOZ-CQSZACIVSA-N	-1	0	307.306	0.137	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn2ccc(C)cc12	ZINC001356251910	956806620	/nfs/dbraw/zinc/80/66/20/956806620.db2.gz	FBSQGLPXPCDQIQ-LLVKDONJSA-N	-1	0	300.318	0.728	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001356303011	956824127	/nfs/dbraw/zinc/82/41/27/956824127.db2.gz	WSNPZPCIJIWUQO-NSHDSACASA-N	-1	0	322.365	0.347	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC001594001783	956935049	/nfs/dbraw/zinc/93/50/49/956935049.db2.gz	VMVKFZUPNXZZRD-CQSZACIVSA-N	-1	0	306.318	0.541	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1	ZINC001589265334	957075714	/nfs/dbraw/zinc/07/57/14/957075714.db2.gz	FNIFMNODQDZHAE-WOPDTQHZSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1	ZINC001603166209	972262769	/nfs/dbraw/zinc/26/27/69/972262769.db2.gz	GRIBZKRFPSMJTO-UUIJZJDISA-N	-1	0	311.382	0.605	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000070446540	957673570	/nfs/dbraw/zinc/67/35/70/957673570.db2.gz	NOXHSTJSSCGYCU-ZETCQYMHSA-N	-1	0	300.340	0.587	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCCC(=O)[O-])CC2	ZINC001332320500	957753786	/nfs/dbraw/zinc/75/37/86/957753786.db2.gz	VORKRABMCJRTRF-UHFFFAOYSA-N	-1	0	301.302	0.428	20	30		DCEDRM
C=CCSCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001296285800	957945036	/nfs/dbraw/zinc/94/50/36/957945036.db2.gz	KXMPTKQURIAGTN-UHFFFAOYSA-N	-1	0	304.379	0.724	20	30		DCEDRM
C#CC1(NC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CCCC1	ZINC001588385338	957969722	/nfs/dbraw/zinc/96/97/22/957969722.db2.gz	DXKFLSHEQQLXIN-GFCCVEGCSA-N	-1	0	321.377	0.697	20	30		DCEDRM
C#C[C@H](CC)NC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001588388348	957993716	/nfs/dbraw/zinc/99/37/16/957993716.db2.gz	RUUWOESCGWFQOC-QNGPIJNLSA-N	-1	0	322.361	0.694	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001588388544	957994530	/nfs/dbraw/zinc/99/45/30/957994530.db2.gz	CGGMHSHHURWBEY-HUBLWGQQSA-N	-1	0	310.350	0.157	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])ncc1C#N	ZINC001594313300	958047970	/nfs/dbraw/zinc/04/79/70/958047970.db2.gz	HBSGDOLEHRODHP-JTQLQIEISA-N	-1	0	302.290	0.276	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C1([C@H]2CCCCO2)CCOCC1	ZINC001588397928	958066592	/nfs/dbraw/zinc/06/65/92/958066592.db2.gz	YTOCNLDFAMVQAW-CYBMUJFWSA-N	-1	0	309.362	0.899	20	30		DCEDRM
COc1cc(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])c(F)cc1C#N	ZINC001594062206	958100353	/nfs/dbraw/zinc/10/03/53/958100353.db2.gz	RPQIHUDJVCDNBL-SSDOTTSWSA-N	-1	0	323.280	0.624	20	30		DCEDRM
N#Cc1ccsc1NC(=O)CN1CCO[C@@H](CC(=O)[O-])C1	ZINC000091295793	958133678	/nfs/dbraw/zinc/13/36/78/958133678.db2.gz	QLUQGBJFMVOLPO-JTQLQIEISA-N	-1	0	309.347	0.734	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCOC)CCC(=O)[O-]	ZINC001353015042	958134979	/nfs/dbraw/zinc/13/49/79/958134979.db2.gz	CNDCKOZRNQZFQT-RYUDHWBXSA-N	-1	0	300.355	0.710	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C(=O)N(C)C)cc1	ZINC001588411278	958148546	/nfs/dbraw/zinc/14/85/46/958148546.db2.gz	VAQLFQQCWFVFGP-UHFFFAOYSA-N	-1	0	303.318	0.940	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)SCC(=O)N2	ZINC001588418586	958182561	/nfs/dbraw/zinc/18/25/61/958182561.db2.gz	AAUBBUXLNJDPTD-UHFFFAOYSA-N	-1	0	304.327	0.891	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nc(N2CCCC2)ncc1Cl	ZINC001588418707	958184036	/nfs/dbraw/zinc/18/40/36/958184036.db2.gz	POAGNIJFQKQBQQ-UHFFFAOYSA-N	-1	0	322.752	0.890	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCCOc1cccc(Cl)c1	ZINC001588420202	958201102	/nfs/dbraw/zinc/20/11/02/958201102.db2.gz	QEUOSDOZSVCYGH-UHFFFAOYSA-N	-1	0	324.764	0.855	20	30		DCEDRM
N#Cc1cn(CCC(=O)Nc2cccc(O)c2)c(=O)[n-]c1=O	ZINC001361704487	958234397	/nfs/dbraw/zinc/23/43/97/958234397.db2.gz	ATPJLXPBIGWROC-UHFFFAOYSA-N	-1	0	300.274	0.555	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)c2ccccc2)n1C	ZINC001588427009	958238423	/nfs/dbraw/zinc/23/84/23/958238423.db2.gz	JYLOTELNPOVJAQ-CYBMUJFWSA-N	-1	0	300.318	0.421	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2SC(C)=NC2=O)n1C	ZINC001588427381	958243909	/nfs/dbraw/zinc/24/39/09/958243909.db2.gz	VSEJZFQKAIVOGR-UHFFFAOYSA-N	-1	0	307.335	0.477	20	30		DCEDRM
Cc1oc(C(=O)Nc2ccncc2C#N)cc1S(C)(=O)=O	ZINC001361712266	958245591	/nfs/dbraw/zinc/24/55/91/958245591.db2.gz	UKJUMPUSEVVAFL-UHFFFAOYSA-N	-1	0	305.315	0.932	20	30		DCEDRM
C#CCN1CCCN(C(=O)C2(CC(=O)[O-])CCOCC2)CC1	ZINC001588430413	958256021	/nfs/dbraw/zinc/25/60/21/958256021.db2.gz	LSSHYWUHSIQYSV-UHFFFAOYSA-N	-1	0	308.378	0.425	20	30		DCEDRM
C#Cc1cnc(N2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)nc1	ZINC001588439061	958309216	/nfs/dbraw/zinc/30/92/16/958309216.db2.gz	HLXCTBVYPSFWJZ-CHWSQXEVSA-N	-1	0	311.345	0.886	20	30		DCEDRM
C#Cc1ccccc1CC(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001588439039	958310225	/nfs/dbraw/zinc/31/02/25/958310225.db2.gz	GFXURXYEBHLTLX-ZDUSSCGKSA-N	-1	0	301.298	0.439	20	30		DCEDRM
C#Cc1ccc(N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)nc1	ZINC001588439317	958316843	/nfs/dbraw/zinc/31/68/43/958316843.db2.gz	SOJOJHZNINAYMG-CYBMUJFWSA-N	-1	0	313.357	0.965	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1	ZINC001361781087	958322596	/nfs/dbraw/zinc/32/25/96/958322596.db2.gz	FBDBPVBXLFYUPL-MJBXVCDLSA-N	-1	0	324.344	0.775	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588442601	958345762	/nfs/dbraw/zinc/34/57/62/958345762.db2.gz	TVESHPMXRPWCHN-LALPHHSUSA-N	-1	0	310.350	0.017	20	30		DCEDRM
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](C#N)CO)n1	ZINC001297880969	958353558	/nfs/dbraw/zinc/35/35/58/958353558.db2.gz	ZMQHUZAVJOHJOB-SNVBAGLBSA-N	-1	0	304.281	0.640	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1nnc2n1CCCC2	ZINC001361827472	958377910	/nfs/dbraw/zinc/37/79/10/958377910.db2.gz	MOEGJAXOQLIPPQ-UHFFFAOYSA-N	-1	0	312.333	0.825	20	30		DCEDRM
C=C[C@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)c1ccccc1	ZINC001588450244	958388268	/nfs/dbraw/zinc/38/82/68/958388268.db2.gz	ARXRTUZRKYPALN-ZDUSSCGKSA-N	-1	0	302.330	0.712	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H]1C(=O)NC1CC1	ZINC001361851754	958405281	/nfs/dbraw/zinc/40/52/81/958405281.db2.gz	ADSUBOSTMCTOEH-LBPRGKRZSA-N	-1	0	314.345	0.851	20	30		DCEDRM
C=C[C@H](O)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-]	ZINC001588452007	958417141	/nfs/dbraw/zinc/41/71/41/958417141.db2.gz	HBNGSHWKEGEDGC-RYUDHWBXSA-N	-1	0	307.302	0.236	20	30		DCEDRM
C=CC[C@@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c1ccncc1	ZINC001588453506	958439981	/nfs/dbraw/zinc/43/99/81/958439981.db2.gz	ZHOMNLNHXGLNDM-WCQYABFASA-N	-1	0	319.361	0.994	20	30		DCEDRM
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588457320	958448203	/nfs/dbraw/zinc/44/82/03/958448203.db2.gz	VDCDBWNLMWNTJG-JTQLQIEISA-N	-1	0	307.306	0.162	20	30		DCEDRM
C=CCCCN(C)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588458465	958463540	/nfs/dbraw/zinc/46/35/40/958463540.db2.gz	PKNWQXRSKHTFSG-UHFFFAOYSA-N	-1	0	303.380	0.691	20	30		DCEDRM
CCCC[C@H](COC)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361906878	958472810	/nfs/dbraw/zinc/47/28/10/958472810.db2.gz	SSWDMUNQTNDMDB-GFCCVEGCSA-N	-1	0	322.365	0.532	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2ccc3c(c2)CCC3)c(=O)[n-]c1=O	ZINC001361927312	958497734	/nfs/dbraw/zinc/49/77/34/958497734.db2.gz	SDLHTYXWAODFGL-UHFFFAOYSA-N	-1	0	324.340	0.626	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCc2cccc(O)c2)c(=O)[n-]c1=O	ZINC001361969424	958552581	/nfs/dbraw/zinc/55/25/81/958552581.db2.gz	RZDVVZAERLVLCO-UHFFFAOYSA-N	-1	0	314.301	0.233	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H](CNC(N)=O)C1	ZINC001362053189	958659424	/nfs/dbraw/zinc/65/94/24/958659424.db2.gz	NIBVUNMKCVQOEQ-JTQLQIEISA-N	-1	0	317.349	0.488	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001298658523	958676855	/nfs/dbraw/zinc/67/68/55/958676855.db2.gz	YSXJRZVEBAFWJO-RKDXNWHRSA-N	-1	0	323.353	0.120	20	30		DCEDRM
N#C[C@@H]1COCCN1C(=O)c1ncc(Br)cc1[O-]	ZINC001362091799	958723398	/nfs/dbraw/zinc/72/33/98/958723398.db2.gz	QUPNLKBQERBEJC-MRVPVSSYSA-N	-1	0	312.123	0.914	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1noc(C(F)(F)F)n1	ZINC001588542330	958970502	/nfs/dbraw/zinc/97/05/02/958970502.db2.gz	XLYNZGBXPHWHIG-SECBINFHSA-N	-1	0	306.200	0.709	20	30		DCEDRM
C[C@H](C#N)CN(C(=O)c1cccn(CC(=O)[O-])c1=O)C1CC1	ZINC001588543465	958979684	/nfs/dbraw/zinc/97/96/84/958979684.db2.gz	MJCGXHCHSRQBQQ-SNVBAGLBSA-N	-1	0	303.318	0.697	20	30		DCEDRM
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC001588543623	958981595	/nfs/dbraw/zinc/98/15/95/958981595.db2.gz	OMNFKBSBZCNNDH-JTQLQIEISA-N	-1	0	319.317	0.849	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1)C(=O)[O-]	ZINC000159574665	959119338	/nfs/dbraw/zinc/11/93/38/959119338.db2.gz	PJGGXPHDJSGYGE-LLVKDONJSA-N	-1	0	311.315	0.228	20	30		DCEDRM
Cc1noc(C)c1[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362323247	959144747	/nfs/dbraw/zinc/14/47/47/959144747.db2.gz	CDWSYUGHEHARPD-ZETCQYMHSA-N	-1	0	317.305	0.303	20	30		DCEDRM
C[C@]1(C#N)CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362340540	959174598	/nfs/dbraw/zinc/17/45/98/959174598.db2.gz	OJLUYAVZPYRZSA-OAHLLOKOSA-N	-1	0	315.333	0.363	20	30		DCEDRM
C[C@@]1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCCS1	ZINC001362464005	959404793	/nfs/dbraw/zinc/40/47/93/959404793.db2.gz	NGTJHSKXRZCWOX-AWEZNQCLSA-N	-1	0	322.390	0.613	20	30		DCEDRM
CC(C)(C#N)CNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588607585	959491850	/nfs/dbraw/zinc/49/18/50/959491850.db2.gz	MDVAOBMFYYRTAM-SNVBAGLBSA-N	-1	0	310.354	0.301	20	30		DCEDRM
C[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1ccc[nH]1	ZINC001362601705	959679060	/nfs/dbraw/zinc/67/90/60/959679060.db2.gz	JNDAUQSEFPKNAT-VIFPVBQESA-N	-1	0	301.306	0.416	20	30		DCEDRM
CC1(C)OCC[C@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362687136	959829740	/nfs/dbraw/zinc/82/97/40/959829740.db2.gz	IADDHRIHPFELKF-NSHDSACASA-N	-1	0	320.349	0.142	20	30		DCEDRM
CCO[C@@H](CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001362686078	959830446	/nfs/dbraw/zinc/83/04/46/959830446.db2.gz	CNQAZTUZZVLBTQ-LBPRGKRZSA-N	-1	0	322.365	0.388	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@@]2(C)CC2(Cl)Cl)c(C#N)c1=O	ZINC001336665998	959994087	/nfs/dbraw/zinc/99/40/87/959994087.db2.gz	NBKLIBNAHMKJKA-SNVBAGLBSA-N	-1	0	303.149	0.941	20	30		DCEDRM
N#Cc1cn(CCC(=O)NCCC2CSC2)c(=O)[n-]c1=O	ZINC001362803698	960011236	/nfs/dbraw/zinc/01/12/36/960011236.db2.gz	UJZUFOZNKMHIEH-UHFFFAOYSA-N	-1	0	308.363	0.080	20	30		DCEDRM
CC(=O)C[C@H]1COCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362893347	960141570	/nfs/dbraw/zinc/14/15/70/960141570.db2.gz	OCYJPZDYKQAALN-LBPRGKRZSA-N	-1	0	303.318	0.787	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)s1	ZINC000230325789	960144105	/nfs/dbraw/zinc/14/41/05/960144105.db2.gz	TYGHQCVJXUAQDM-MRVPVSSYSA-N	-1	0	316.360	0.484	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](C2OCCO2)C1	ZINC001362921416	960180063	/nfs/dbraw/zinc/18/00/63/960180063.db2.gz	FPAIZOQFAPMVRA-SNVBAGLBSA-N	-1	0	303.318	0.802	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(N2CCOCC2)C1	ZINC001363174033	960534211	/nfs/dbraw/zinc/53/42/11/960534211.db2.gz	LNAQMJQHXLWWEM-UHFFFAOYSA-N	-1	0	302.334	0.124	20	30		DCEDRM
C[C@@]1(CCNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1(F)F	ZINC001363286394	960788588	/nfs/dbraw/zinc/78/85/88/960788588.db2.gz	RPRDBDAEMSNUMJ-GFCCVEGCSA-N	-1	0	312.276	0.372	20	30		DCEDRM
COC[C@@]1(C)CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001363296165	960825148	/nfs/dbraw/zinc/82/51/48/960825148.db2.gz	GXHRYOMNYOQGBZ-HNNXBMFYSA-N	-1	0	320.349	0.096	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(CC#N)n2)C1	ZINC001571084379	961032537	/nfs/dbraw/zinc/03/25/37/961032537.db2.gz	BJTFEZHNTBMNLF-CQSZACIVSA-N	-1	0	304.306	0.855	20	30		DCEDRM
O=C([O-])CCCCNC(=O)C(=O)NCC#Cc1ccccc1	ZINC001332138465	961478036	/nfs/dbraw/zinc/47/80/36/961478036.db2.gz	XCYPJJYERZMPFC-UHFFFAOYSA-N	-1	0	302.330	0.525	20	30		DCEDRM
Cn1nnnc1-c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC001574474182	961637389	/nfs/dbraw/zinc/63/73/89/961637389.db2.gz	KAZDVPYUQZKXKN-CQSZACIVSA-N	-1	0	314.305	0.820	20	30		DCEDRM
N#CCc1ccccc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001574479212	961648753	/nfs/dbraw/zinc/64/87/53/961648753.db2.gz	GJORGXKLIPIEEK-LRDDRELGSA-N	-1	0	300.314	0.926	20	30		DCEDRM
N#Cc1c(N)sc2c1CCN(C(=O)CCCc1nnn[n-]1)C2	ZINC001363664975	961656663	/nfs/dbraw/zinc/65/66/63/961656663.db2.gz	SFSUZVPCTBNTKU-UHFFFAOYSA-N	-1	0	317.378	0.623	20	30		DCEDRM
N#Cc1cc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)ccn1	ZINC001574486109	961681024	/nfs/dbraw/zinc/68/10/24/961681024.db2.gz	QQYWMEPSIUNLHG-UHFFFAOYSA-N	-1	0	324.362	0.084	20	30		DCEDRM
C=C1CC(C)(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)C1	ZINC001334200427	961779711	/nfs/dbraw/zinc/77/97/11/961779711.db2.gz	BJYKYHUOFFIHSB-MRXNPFEDSA-N	-1	0	308.378	0.731	20	30		DCEDRM
COc1ccc(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)cc1	ZINC001363764985	961835329	/nfs/dbraw/zinc/83/53/29/961835329.db2.gz	VYWZGSBZGDNFQX-UHFFFAOYSA-N	-1	0	300.274	0.056	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1	ZINC001336326037	961963301	/nfs/dbraw/zinc/96/33/01/961963301.db2.gz	HRJOVUNEHOPFGZ-SNVBAGLBSA-N	-1	0	314.363	0.689	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)c2sccc2CC#N)n[n-]1	ZINC001364046553	962362179	/nfs/dbraw/zinc/36/21/79/962362179.db2.gz	CEKIUZDALAKTQB-UHFFFAOYSA-N	-1	0	311.348	0.588	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)CC2	ZINC001348841371	962452915	/nfs/dbraw/zinc/45/29/15/962452915.db2.gz	SUBBQQGXHOWKEO-GFCCVEGCSA-N	-1	0	313.313	0.380	20	30		DCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2CCC[C@@H](F)C2)c(=O)[n-]c1=O	ZINC001364106945	962482124	/nfs/dbraw/zinc/48/21/24/962482124.db2.gz	IMCVSFHAHXPART-MWLCHTKSSA-N	-1	0	308.313	0.465	20	30		DCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F	ZINC001573301493	962627984	/nfs/dbraw/zinc/62/79/84/962627984.db2.gz	DSUAYMUHYTVGCN-UHFFFAOYSA-N	-1	0	314.269	0.810	20	30		DCEDRM
C#CCCCCC(=O)N1CC[C@@H](NC(=O)CNC(=O)[O-])[C@H](C)C1	ZINC001573303260	962673323	/nfs/dbraw/zinc/67/33/23/962673323.db2.gz	NCODGLRGDIKJBR-CHWSQXEVSA-N	-1	0	323.393	0.801	20	30		DCEDRM
C#CCCCCC(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])[C@@H](C)C1	ZINC001573303270	962673621	/nfs/dbraw/zinc/67/36/21/962673621.db2.gz	NCODGLRGDIKJBR-STQMWFEESA-N	-1	0	323.393	0.801	20	30		DCEDRM
C=C(Br)CN1CC(CNC(=O)CNC(=O)[O-])C1	ZINC001573314058	962740952	/nfs/dbraw/zinc/74/09/52/962740952.db2.gz	VNOBVFFGOJIVJO-UHFFFAOYSA-N	-1	0	306.160	0.211	20	30		DCEDRM
CC1(C)CC(CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001364274178	962798416	/nfs/dbraw/zinc/79/84/16/962798416.db2.gz	WATCIXUDHPJSKO-UHFFFAOYSA-N	-1	0	319.365	0.556	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O	ZINC001573332709	962840537	/nfs/dbraw/zinc/84/05/37/962840537.db2.gz	NORMPXDSCMRWFX-MNOVXSKESA-N	-1	0	318.395	0.242	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)NC(=O)CNC(=O)[O-]	ZINC001573338447	962874959	/nfs/dbraw/zinc/87/49/59/962874959.db2.gz	BFCRTUIDSGXHQG-SSDOTTSWSA-N	-1	0	305.762	0.654	20	30		DCEDRM
C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)CNC(=O)[O-])C(C)(C)C2)C1	ZINC001573343150	962900281	/nfs/dbraw/zinc/90/02/81/962900281.db2.gz	AALUJDFRTGENFC-LLVKDONJSA-N	-1	0	323.393	0.964	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)NC/C=C/Cl)C2)c(=O)[n-]c1=O	ZINC001364345834	962936801	/nfs/dbraw/zinc/93/68/01/962936801.db2.gz	JILKBRDZTKZAEZ-OWOJBTEDSA-N	-1	0	309.713	0.139	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)C[C@@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001573347460	962947436	/nfs/dbraw/zinc/94/74/36/962947436.db2.gz	KVIIPUYKUWHHPT-BMIGLBTASA-N	-1	0	322.365	0.761	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C(=O)[O-])n1	ZINC001573352403	962986266	/nfs/dbraw/zinc/98/62/66/962986266.db2.gz	BINOPSUBVHNWOR-QWRGUYRKSA-N	-1	0	302.334	0.931	20	30		DCEDRM
C=CCCC(=O)N1CCC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001573352622	962989676	/nfs/dbraw/zinc/98/96/76/962989676.db2.gz	HIEONHWBKCMUMU-LLVKDONJSA-N	-1	0	304.350	0.966	20	30		DCEDRM
C=CCCC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)CNC(=O)[O-]	ZINC001573353525	963003781	/nfs/dbraw/zinc/00/37/81/963003781.db2.gz	XZPAUXYFULHAMA-NWDGAFQWSA-N	-1	0	311.382	0.964	20	30		DCEDRM
C=CCCOCC(=O)N[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001573360347	963034834	/nfs/dbraw/zinc/03/48/34/963034834.db2.gz	MCMBUJNDDXZBEM-HAQNSBGRSA-N	-1	0	320.349	0.827	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccc(C)cc1C#N)C(=O)[O-]	ZINC001573369135	963092199	/nfs/dbraw/zinc/09/21/99/963092199.db2.gz	OZVDFCASGBVCHP-GFCCVEGCSA-N	-1	0	324.358	0.801	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC(=O)[O-])CC(OC)OC	ZINC001573379329	963106515	/nfs/dbraw/zinc/10/65/15/963106515.db2.gz	CNDZFXOADRYVEP-MNOVXSKESA-N	-1	0	301.339	0.500	20	30		DCEDRM
C#CCCCCCC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588440944	964047803	/nfs/dbraw/zinc/04/78/03/964047803.db2.gz	ZSUPEDWERXAUES-ZIAGYGMSSA-N	-1	0	320.389	0.865	20	30		DCEDRM
C=C(C)Cn1c(N2CC[C@H](C(=O)[O-])C2)nnc1[C@](C)(O)COC	ZINC001588441149	964049110	/nfs/dbraw/zinc/04/91/10/964049110.db2.gz	AHRRWKXITZBYEV-XHDPSFHLSA-N	-1	0	324.381	0.619	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@@H]2CC23CCC3)c(=O)[n-]c1=O	ZINC001372427922	967984479	/nfs/dbraw/zinc/98/44/79/967984479.db2.gz	JNIYXISWPNBOBD-SNVBAGLBSA-N	-1	0	303.322	0.062	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H](N(C)C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC001373231192	968829882	/nfs/dbraw/zinc/82/98/82/968829882.db2.gz	TZEIYYWICYXXKN-MWLCHTKSSA-N	-1	0	319.365	0.646	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)NCC2(C(=O)[O-])CCC2)cc1	ZINC000738430813	969145124	/nfs/dbraw/zinc/14/51/24/969145124.db2.gz	PXEBCABKUOZWPJ-UHFFFAOYSA-N	-1	0	315.329	0.659	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)O[C@@H]1C[C@H]2CCCC[C@H]2NC1=O	ZINC001609693060	970453596	/nfs/dbraw/zinc/45/35/96/970453596.db2.gz	RQTZNNQIDGWWEW-UYUMYWFVSA-N	-1	0	308.334	0.981	20	30		DCEDRM
C[C@H](CC(=O)[O-])NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC001609873140	970570049	/nfs/dbraw/zinc/57/00/49/970570049.db2.gz	ZVTLSMNRUOHKNM-LLVKDONJSA-N	-1	0	317.349	0.648	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC000393812259	972643001	/nfs/dbraw/zinc/64/30/01/972643001.db2.gz	BWGJLSHVFZGIEN-LLVKDONJSA-N	-1	0	323.271	0.337	20	30		DCEDRM
Cc1cc(C)nc(Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)c1	ZINC001605158192	972848844	/nfs/dbraw/zinc/84/88/44/972848844.db2.gz	GAFRZHVJHKBPBL-UHFFFAOYSA-N	-1	0	314.301	0.026	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001604321767	973000965	/nfs/dbraw/zinc/00/09/65/973000965.db2.gz	DUPYGDNVCQEMDN-ZDUSSCGKSA-N	-1	0	319.313	0.167	20	30		DCEDRM
COC(=O)c1cnc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])s1	ZINC001604403025	973143721	/nfs/dbraw/zinc/14/37/21/973143721.db2.gz	GJOAEMQNORGDLJ-GFCCVEGCSA-N	-1	0	311.319	0.550	20	30		DCEDRM
C[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)CC[C@@H]1C(=O)[O-]	ZINC001603443390	973240297	/nfs/dbraw/zinc/24/02/97/973240297.db2.gz	SYVZCEQHEPNCQC-JQWIXIFHSA-N	-1	0	302.334	0.934	20	30		DCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC001604455670	973299030	/nfs/dbraw/zinc/29/90/30/973299030.db2.gz	YRENQELVPMKPEX-XJKSGUPXSA-N	-1	0	318.329	0.948	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@@]2(CCO[C@H]2C)C1	ZINC001448974032	1014113835	/nfs/dbraw/zinc/11/38/35/1014113835.db2.gz	VRHORIDPPJQSAV-ZBEGNZNMSA-N	-1	0	317.345	0.987	20	30		DCEDRM
Cc1nn(C)c(NC(=O)c2cccn(CC(=O)[O-])c2=O)c1C#N	ZINC001605438550	973486195	/nfs/dbraw/zinc/48/61/95/973486195.db2.gz	WVBNBUJSYOLTAB-UHFFFAOYSA-N	-1	0	315.289	0.099	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)C1(C#N)CCSCC1	ZINC001604597333	973692286	/nfs/dbraw/zinc/69/22/86/973692286.db2.gz	DHCNRHMISRMVIU-UHFFFAOYSA-N	-1	0	300.380	0.973	20	30		DCEDRM
N#CC1(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)CCSCC1	ZINC001605576467	973848249	/nfs/dbraw/zinc/84/82/49/973848249.db2.gz	OBDDMJACLTWXJY-SECBINFHSA-N	-1	0	312.347	0.252	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CC1	ZINC001605585454	973875702	/nfs/dbraw/zinc/87/57/02/973875702.db2.gz	BQQGYEFPUMRABK-UONOGXRCSA-N	-1	0	323.393	0.608	20	30		DCEDRM
CCN(C(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H](C)C(=O)[O-]	ZINC001603701512	974100118	/nfs/dbraw/zinc/10/01/18/974100118.db2.gz	MMOCOOVLHSZWMQ-QMMMGPOBSA-N	-1	0	307.281	0.957	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(C(=O)[O-])nc1	ZINC001592221323	977397148	/nfs/dbraw/zinc/39/71/48/977397148.db2.gz	BSGWDCKSYZQZRS-SECBINFHSA-N	-1	0	312.351	0.348	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000708260744	977419795	/nfs/dbraw/zinc/41/97/95/977419795.db2.gz	DVXFCQJZALLJLC-UHFFFAOYSA-N	-1	0	303.361	0.717	20	30		DCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000717771377	977917228	/nfs/dbraw/zinc/91/72/28/977917228.db2.gz	YQMNIEFSCIZXDZ-MRVPVSSYSA-N	-1	0	301.295	0.186	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000717921060	977925561	/nfs/dbraw/zinc/92/55/61/977925561.db2.gz	SKLVRVBDLJGUDC-QMMMGPOBSA-N	-1	0	303.361	0.499	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000717922064	977925820	/nfs/dbraw/zinc/92/58/20/977925820.db2.gz	WWACZRPDNLLFDB-QMMMGPOBSA-N	-1	0	303.361	0.499	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C#CC1CC1)Nc1ccnc(C(=O)[O-])n1	ZINC001592563995	978456876	/nfs/dbraw/zinc/45/68/76/978456876.db2.gz	OGCVDWBXKZCNKF-JTQLQIEISA-N	-1	0	302.334	0.269	20	30		DCEDRM
C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001592648100	978630748	/nfs/dbraw/zinc/63/07/48/978630748.db2.gz	YUDGEANUDNEHSJ-CMPLNLGQSA-N	-1	0	315.329	0.748	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001523013614	1014517240	/nfs/dbraw/zinc/51/72/40/1014517240.db2.gz	CDIRDFVMYUWQSW-WDEREUQCSA-N	-1	0	322.365	0.346	20	30		DCEDRM
C[C@@H](COC1CCCC1)CS(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001592771846	979389189	/nfs/dbraw/zinc/38/91/89/979389189.db2.gz	JIIBHVGLEQAFTQ-NSHDSACASA-N	-1	0	318.395	0.822	20	30		DCEDRM
CC[C@](COC)(NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001595198159	979922883	/nfs/dbraw/zinc/92/28/83/979922883.db2.gz	BNKKFDNAZVTWGV-LLVKDONJSA-N	-1	0	302.308	0.309	20	30		DCEDRM
C[C@@H](Nc1ncc(C(=O)[O-])cn1)[C@H](C)NC(=O)C#CC1CC1	ZINC001592967607	980093070	/nfs/dbraw/zinc/09/30/70/980093070.db2.gz	DQNOWOXHRWPBRS-VHSXEESVSA-N	-1	0	302.334	0.893	20	30		DCEDRM
C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)CSCC#N	ZINC001593036043	980310934	/nfs/dbraw/zinc/31/09/34/980310934.db2.gz	FAMFHPRLNXUKPP-BDAKNGLRSA-N	-1	0	323.378	0.159	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001530442790	1014751796	/nfs/dbraw/zinc/75/17/96/1014751796.db2.gz	VKSVFWVYKPCUDV-UHFFFAOYSA-N	-1	0	306.366	0.967	20	30		DCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C	ZINC001588368028	983303774	/nfs/dbraw/zinc/30/37/74/983303774.db2.gz	FQFDQLFHMXXXDF-SECBINFHSA-N	-1	0	303.318	0.527	20	30		DCEDRM
C#C[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(=O)NC	ZINC001588368387	983305420	/nfs/dbraw/zinc/30/54/20/983305420.db2.gz	LUUSKYBPDZJCGC-SECBINFHSA-N	-1	0	319.317	0.653	20	30		DCEDRM
C#C[C@H](CC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001588369624	983316019	/nfs/dbraw/zinc/31/60/19/983316019.db2.gz	RHGNFBHRTJBBIB-MRVPVSSYSA-N	-1	0	312.303	0.983	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1ccc(F)cc1	ZINC001588377582	983358066	/nfs/dbraw/zinc/35/80/66/983358066.db2.gz	NGWPSAFELLKNBL-GFCCVEGCSA-N	-1	0	314.338	0.741	20	30		DCEDRM
C#CC1(O)CN([C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C1	ZINC001588381790	983366892	/nfs/dbraw/zinc/36/68/92/983366892.db2.gz	ABXSWUVVDOZCAD-VIFPVBQESA-N	-1	0	308.359	0.762	20	30		DCEDRM
C#CC1(O)CN([C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C1	ZINC001588381789	983367210	/nfs/dbraw/zinc/36/72/10/983367210.db2.gz	ABXSWUVVDOZCAD-SECBINFHSA-N	-1	0	308.359	0.762	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC001588382319	983370418	/nfs/dbraw/zinc/37/04/18/983370418.db2.gz	MLRSBCJJYGCWQL-QWHCGFSZSA-N	-1	0	306.362	0.618	20	30		DCEDRM
C#CC1(O)CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1	ZINC001588382646	983373214	/nfs/dbraw/zinc/37/32/14/983373214.db2.gz	RLTGVJNYUQEQEA-UHFFFAOYSA-N	-1	0	306.274	0.238	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588393181	983397123	/nfs/dbraw/zinc/39/71/23/983397123.db2.gz	COBRFERQVRSGSA-IINYFYTJSA-N	-1	0	309.322	0.040	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001588395306	983405296	/nfs/dbraw/zinc/40/52/96/983405296.db2.gz	SABRCYWQHQFCKO-SECBINFHSA-N	-1	0	324.358	0.848	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001588395308	983405415	/nfs/dbraw/zinc/40/54/15/983405415.db2.gz	SABRCYWQHQFCKO-VIFPVBQESA-N	-1	0	324.358	0.848	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001588396810	983409408	/nfs/dbraw/zinc/40/94/08/983409408.db2.gz	ZGDLJWJQJTZPDP-STQMWFEESA-N	-1	0	324.377	0.244	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)CCCO1)C(=O)[O-]	ZINC001588398055	983410464	/nfs/dbraw/zinc/41/04/64/983410464.db2.gz	BTFAQRDFZUQFME-BONVTDFDSA-N	-1	0	311.334	0.470	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@]1(c2ccccc2)CCC(=O)NC1)C(=O)[O-]	ZINC001588398842	983414299	/nfs/dbraw/zinc/41/42/99/983414299.db2.gz	NNHSIWOASLABNV-CXAGYDPISA-N	-1	0	314.341	0.427	20	30		DCEDRM
C#CC[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)C(=O)[O-]	ZINC001588406068	983423734	/nfs/dbraw/zinc/42/37/34/983423734.db2.gz	MBVHLJPRPHFHOW-BDAKNGLRSA-N	-1	0	309.347	0.440	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1csc(N2CCCC2=O)n1)C(=O)[O-]	ZINC001588406906	983426618	/nfs/dbraw/zinc/42/66/18/983426618.db2.gz	BNKFLKZIHOHFLX-SNVBAGLBSA-N	-1	0	321.358	0.405	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588413879	983432510	/nfs/dbraw/zinc/43/25/10/983432510.db2.gz	KGRXLJVYBHTAFV-GARJFASQSA-N	-1	0	310.350	0.740	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)C1CCC(C(=O)OC)CC1)C(=O)[O-]	ZINC001588423289	983451814	/nfs/dbraw/zinc/45/18/14/983451814.db2.gz	CFBIGVYIPPGKGX-VQXHTEKXSA-N	-1	0	317.363	0.114	20	30		DCEDRM
C#CCC1(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)CCC1	ZINC001588428277	983460870	/nfs/dbraw/zinc/46/08/70/983460870.db2.gz	IOYSRJQXYKWWJN-NEPJUHHUSA-N	-1	0	318.373	0.666	20	30		DCEDRM
C#CC[C@@H]1NC(=O)N(c2ccc(OCCC(=O)[O-])cc2)C1=O	ZINC001588434836	983472831	/nfs/dbraw/zinc/47/28/31/983472831.db2.gz	VITDEFUCDUOFSN-LBPRGKRZSA-N	-1	0	302.286	0.988	20	30		DCEDRM
C#CCN1CCC[C@H](NC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	ZINC001588475252	983507529	/nfs/dbraw/zinc/50/75/29/983507529.db2.gz	AXRPPCWASHWWPQ-DVZHBHJUSA-N	-1	0	305.378	0.637	20	30		DCEDRM
C#CCN1CCC(NS(=O)(=O)c2cc(C(=O)[O-])co2)CC1	ZINC001588476585	983512084	/nfs/dbraw/zinc/51/20/84/983512084.db2.gz	OKACRLUIZRMXRD-UHFFFAOYSA-N	-1	0	312.347	0.354	20	30		DCEDRM
C#CCNC(=O)CN1CCN(Cc2csc(C(=O)[O-])c2)CC1	ZINC001588484122	983523298	/nfs/dbraw/zinc/52/32/98/983523298.db2.gz	RROULFNNAUYHFO-UHFFFAOYSA-N	-1	0	321.402	0.313	20	30		DCEDRM
C#Cc1ccc(NC(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)cc1	ZINC001588516785	983562207	/nfs/dbraw/zinc/56/22/07/983562207.db2.gz	BRTLIDVAJIULRV-INIZCTEOSA-N	-1	0	316.313	0.309	20	30		DCEDRM
CCN(CC#N)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001596200214	983584813	/nfs/dbraw/zinc/58/48/13/983584813.db2.gz	PCEXIULIMKLSAC-UHFFFAOYSA-N	-1	0	313.291	0.827	20	30		DCEDRM
CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1	ZINC001596213744	983606571	/nfs/dbraw/zinc/60/65/71/983606571.db2.gz	QZNKXMKJLHUFPP-GFCCVEGCSA-N	-1	0	315.329	0.844	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)[O-]	ZINC001588542978	983610361	/nfs/dbraw/zinc/61/03/61/983610361.db2.gz	USHSGVUVCAJBCB-JTQLQIEISA-N	-1	0	323.349	0.387	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001588548464	983624461	/nfs/dbraw/zinc/62/44/61/983624461.db2.gz	UTTOHAQMCHXRED-AGIUHOORSA-N	-1	0	312.366	0.311	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)[O-]	ZINC001588549097	983626503	/nfs/dbraw/zinc/62/65/03/983626503.db2.gz	XNEOKYHVSIFMDU-LLVKDONJSA-N	-1	0	302.286	0.719	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)OC)C1)C(=O)[O-]	ZINC001588555373	983634710	/nfs/dbraw/zinc/63/47/10/983634710.db2.gz	HEHCQGKQAWICKE-VWYCJHECSA-N	-1	0	319.379	0.667	20	30		DCEDRM
C=C(C)COc1cccc(NC(=O)NCC(=O)NCC(=O)[O-])c1	ZINC001588573605	983653621	/nfs/dbraw/zinc/65/36/21/983653621.db2.gz	QZJHXXHCBTYYGC-UHFFFAOYSA-N	-1	0	321.333	0.964	20	30		DCEDRM
C=C(C)Cn1c([C@@H](C)CO)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588588879	983664864	/nfs/dbraw/zinc/66/48/64/983664864.db2.gz	BTTDYVSXJCXHCC-TUAOUCFPSA-N	-1	0	324.381	0.628	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1	ZINC001588612027	983701398	/nfs/dbraw/zinc/70/13/98/983701398.db2.gz	GDPKUSFQNPDICO-LLVKDONJSA-N	-1	0	303.380	0.833	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](c1cnn(C)c1)c1noc(C)n1	ZINC001588622302	983722963	/nfs/dbraw/zinc/72/29/63/983722963.db2.gz	ULYUXEDFMFEJRE-LBPRGKRZSA-N	-1	0	319.321	0.738	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCC(=O)N(C)CCc1ccccn1	ZINC001588622643	983724431	/nfs/dbraw/zinc/72/44/31/983724431.db2.gz	AWDVIBJZWYGTIT-UHFFFAOYSA-N	-1	0	319.361	0.620	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC001596299929	983727496	/nfs/dbraw/zinc/72/74/96/983727496.db2.gz	IYDZVVMOIVVEGL-MNOVXSKESA-N	-1	0	319.383	0.079	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCS(=O)(=O)NCC1CCC1	ZINC001588624215	983730556	/nfs/dbraw/zinc/73/05/56/983730556.db2.gz	AQOBPASDZFUYQH-UHFFFAOYSA-N	-1	0	318.395	0.243	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC001588632815	983746030	/nfs/dbraw/zinc/74/60/30/983746030.db2.gz	ACBAYPSTGMHFFR-JTQLQIEISA-N	-1	0	301.364	0.915	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccnc(C#N)n1	ZINC001596332487	983770530	/nfs/dbraw/zinc/77/05/30/983770530.db2.gz	JFRRLSTWBSWYCH-ZJUUUORDSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cc(C)ncc1C#N	ZINC001596333382	983772577	/nfs/dbraw/zinc/77/25/77/983772577.db2.gz	QXIFSEPJICXRJN-CHWSQXEVSA-N	-1	0	316.361	0.925	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588671862	983822686	/nfs/dbraw/zinc/82/26/86/983822686.db2.gz	JPOAXBTUXOXNRL-JTQLQIEISA-N	-1	0	304.350	0.822	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1	ZINC001588672857	983826803	/nfs/dbraw/zinc/82/68/03/983826803.db2.gz	AOBKRMJBNCNCKC-LLVKDONJSA-N	-1	0	322.365	0.666	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNc1ncc(C(=O)[O-])cn1	ZINC001588683725	983850327	/nfs/dbraw/zinc/85/03/27/983850327.db2.gz	CSLUFOHGWKWKCA-BONVTDFDSA-N	-1	0	322.365	0.809	20	30		DCEDRM
C=C[C@@H](O)c1nnc(N2CCc3ccc(C(=O)[O-])nc3C2)n1C	ZINC001588705146	983925961	/nfs/dbraw/zinc/92/59/61/983925961.db2.gz	KHSPZFTYSKFNFV-GFCCVEGCSA-N	-1	0	315.333	0.690	20	30		DCEDRM
C=CC[C@H](C(=O)[O-])N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1	ZINC001588732258	984017338	/nfs/dbraw/zinc/01/73/38/984017338.db2.gz	XTGZLQDFWKJIAZ-YIZRAAEISA-N	-1	0	315.313	0.923	20	30		DCEDRM
C=CC[C@@H](OC(=O)CN1C(=O)COc2ccccc21)C(=O)[O-]	ZINC001588753439	984085439	/nfs/dbraw/zinc/08/54/39/984085439.db2.gz	HOJQPFIFWXYSNP-GFCCVEGCSA-N	-1	0	305.286	0.985	20	30		DCEDRM
C=CC[C@H](OC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-]	ZINC001588755811	984095762	/nfs/dbraw/zinc/09/57/62/984095762.db2.gz	DJUCRCARHGUWJL-LBPRGKRZSA-N	-1	0	302.286	0.969	20	30		DCEDRM
C=CC[C@H](Sc1nnc(-c2n[nH]c3c2CCC3)n1N)C(=O)[O-]	ZINC001588762482	984116232	/nfs/dbraw/zinc/11/62/32/984116232.db2.gz	JZZORWDCMLYXQZ-VIFPVBQESA-N	-1	0	320.378	0.992	20	30		DCEDRM
C=CCCC(=O)NCC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCOCC1	ZINC001588773764	984149216	/nfs/dbraw/zinc/14/92/16/984149216.db2.gz	JCKNPVKAVBABEV-NEPJUHHUSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCCC(=O)N(C)C[C@H](O)CNc1ncc(C(=O)[O-])cn1	ZINC001588774008	984150459	/nfs/dbraw/zinc/15/04/59/984150459.db2.gz	ORDCBWBYFZXQTR-LLVKDONJSA-N	-1	0	308.338	0.372	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C[C@@H]1C	ZINC001588774034	984150465	/nfs/dbraw/zinc/15/04/65/984150465.db2.gz	PEXQUEXCJIOOAQ-QWRGUYRKSA-N	-1	0	304.350	0.964	20	30		DCEDRM
C=CCCC(=O)N1CC=C(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588774119	984150893	/nfs/dbraw/zinc/15/08/93/984150893.db2.gz	UCAOXLQOJAUOHY-QWHCGFSZSA-N	-1	0	306.362	0.948	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1cccn2c(=O)[nH]nc12)C(=O)[O-]	ZINC001588792967	984215002	/nfs/dbraw/zinc/21/50/02/984215002.db2.gz	ISMDQGLLLZJYIF-JTQLQIEISA-N	-1	0	304.306	0.974	20	30		DCEDRM
C=CCCS(=O)(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588812948	984268646	/nfs/dbraw/zinc/26/86/46/984268646.db2.gz	FNMAWTCQQBTSJM-CQSZACIVSA-N	-1	0	317.407	0.974	20	30		DCEDRM
C=CCCOCCn1nnnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588813315	984269068	/nfs/dbraw/zinc/26/90/68/984269068.db2.gz	LLKVUVVUCXZIIV-VXGBXAGGSA-N	-1	0	309.370	0.813	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC001588822744	984290567	/nfs/dbraw/zinc/29/05/67/984290567.db2.gz	NEEARWYLDODGKR-NSHDSACASA-N	-1	0	308.256	0.496	20	30		DCEDRM
C=CCN(C)S(=O)(=O)c1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC001588822912	984293898	/nfs/dbraw/zinc/29/38/98/984293898.db2.gz	XTYHSMRHTVEWBC-UHFFFAOYSA-N	-1	0	313.331	0.978	20	30		DCEDRM
C=CCN1C(=O)C(=O)N(CC(=O)c2ccc(C(=O)[O-])cc2)C1=O	ZINC001588832308	984321196	/nfs/dbraw/zinc/32/11/96/984321196.db2.gz	LJDRBQMQVMJURN-UHFFFAOYSA-N	-1	0	316.269	0.544	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)[O-])n1C	ZINC001588844082	984356188	/nfs/dbraw/zinc/35/61/88/984356188.db2.gz	PKMVLRDHFNXXHN-MRVPVSSYSA-N	-1	0	323.305	0.280	20	30		DCEDRM
C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001588850056	984378557	/nfs/dbraw/zinc/37/85/57/984378557.db2.gz	VLVKNGGICCREAJ-RYUDHWBXSA-N	-1	0	312.366	0.536	20	30		DCEDRM
C=CCOCC(=O)N1CCC(C)(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588850079	984378621	/nfs/dbraw/zinc/37/86/21/984378621.db2.gz	WPCUSTUJGPZLDS-NWDGAFQWSA-N	-1	0	324.377	0.407	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588854167	984388832	/nfs/dbraw/zinc/38/88/32/984388832.db2.gz	PWASNBOZXQQNOC-SNVBAGLBSA-N	-1	0	316.354	0.673	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CC(C)(C)COC(C)=O)C(=O)[O-]	ZINC001588854482	984390350	/nfs/dbraw/zinc/39/03/50/984390350.db2.gz	ZWCWJMBNYNVWJD-NSHDSACASA-N	-1	0	301.339	0.738	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCN(C2CC2)C1=O)C(=O)[O-]	ZINC001588855218	984391212	/nfs/dbraw/zinc/39/12/12/984391212.db2.gz	DDSJRTKRMMRSTJ-NWDGAFQWSA-N	-1	0	310.350	0.159	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCN(C2CC2)C1=O)C(=O)[O-]	ZINC001588855217	984391522	/nfs/dbraw/zinc/39/15/22/984391522.db2.gz	DDSJRTKRMMRSTJ-NEPJUHHUSA-N	-1	0	310.350	0.159	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCN(C2CC2)C1=O)C(=O)[O-]	ZINC001588855219	984391622	/nfs/dbraw/zinc/39/16/22/984391622.db2.gz	DDSJRTKRMMRSTJ-RYUDHWBXSA-N	-1	0	310.350	0.159	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)[O-]	ZINC001588856399	984399910	/nfs/dbraw/zinc/39/99/10/984399910.db2.gz	YTSIQCROKMVLTM-SNVBAGLBSA-N	-1	0	319.379	0.116	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C(=O)OC	ZINC001588856923	984402547	/nfs/dbraw/zinc/40/25/47/984402547.db2.gz	SHLLYOSGOIECTJ-WOPDTQHZSA-N	-1	0	313.350	0.738	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cnc2ccccc2c1O)C(=O)[O-]	ZINC001588859631	984406869	/nfs/dbraw/zinc/40/68/69/984406869.db2.gz	RTJWXYUNXVFBBA-CYBMUJFWSA-N	-1	0	316.313	0.914	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc2n(n1)CCCC2=O)C(=O)[O-]	ZINC001588859715	984407483	/nfs/dbraw/zinc/40/74/83/984407483.db2.gz	UTENNCXUNAZWTF-JTQLQIEISA-N	-1	0	307.306	0.245	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1nnc2ccccc2c1O)C(=O)[O-]	ZINC001588860510	984413646	/nfs/dbraw/zinc/41/36/46/984413646.db2.gz	WMZKSJUINYTDLZ-NSHDSACASA-N	-1	0	317.301	0.721	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cccc([S@@](C)=O)c1)C(=O)[O-]	ZINC001588861056	984414215	/nfs/dbraw/zinc/41/42/15/984414215.db2.gz	AESGCJQYGXYFRF-LAJNKCICSA-N	-1	0	311.359	0.810	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)[O-]	ZINC001588862397	984418382	/nfs/dbraw/zinc/41/83/82/984418382.db2.gz	XALRYRAZLFKHEB-MRVPVSSYSA-N	-1	0	317.319	0.069	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)Cc1nocc1C)C(=O)[O-]	ZINC001588866899	984428912	/nfs/dbraw/zinc/42/89/12/984428912.db2.gz	RYNGVNDNKYWAAK-VIFPVBQESA-N	-1	0	304.324	0.058	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)c1oc(C(=O)[O-])cc1C	ZINC001588878815	984455674	/nfs/dbraw/zinc/45/56/74/984455674.db2.gz	KITDCYOCJKBOAQ-UHFFFAOYSA-N	-1	0	301.320	0.617	20	30		DCEDRM
C=CCn1c(-c2nccn2C)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588891509	984488283	/nfs/dbraw/zinc/48/82/83/984488283.db2.gz	NAKIHHKDDNHIQL-JTQLQIEISA-N	-1	0	302.338	0.776	20	30		DCEDRM
C=CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588897340	984509146	/nfs/dbraw/zinc/50/91/46/984509146.db2.gz	QDTBINZNLXGHKA-RWSFTLGLSA-N	-1	0	317.349	0.771	20	30		DCEDRM
C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588897851	984514050	/nfs/dbraw/zinc/51/40/50/984514050.db2.gz	VWEGROLBQRHEAI-LKFCYVNXSA-N	-1	0	323.328	0.418	20	30		DCEDRM
C=CCn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1[C@@](C)(O)CC	ZINC001588904954	984534116	/nfs/dbraw/zinc/53/41/16/984534116.db2.gz	JWDRHYXZZCIXFG-HZMBPMFUSA-N	-1	0	310.354	0.371	20	30		DCEDRM
C=C[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC001588919708	984573363	/nfs/dbraw/zinc/57/33/63/984573363.db2.gz	JOITVXKCNHBOQF-SNVBAGLBSA-N	-1	0	308.290	0.840	20	30		DCEDRM
CCOC(=O)N1CCC[C@@H](C(=O)N(CC#N)CCC(=O)[O-])C1	ZINC001596649840	984668350	/nfs/dbraw/zinc/66/83/50/984668350.db2.gz	FGNANSMIVFWTIA-LLVKDONJSA-N	-1	0	311.338	0.682	20	30		DCEDRM
C[C@H]1CN(Cn2nc(CC#N)n(C)c2=S)C[C@@H](C(=O)[O-])O1	ZINC001599930401	985303936	/nfs/dbraw/zinc/30/39/36/985303936.db2.gz	LITIGLIUPIIUNV-IUCAKERBSA-N	-1	0	311.367	0.149	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)CCN(C(=O)[C@@H](C)C#N)C(C)C)c1[O-]	ZINC001384322978	985507347	/nfs/dbraw/zinc/50/73/47/985507347.db2.gz	WOUYAMJOTDAORW-JTQLQIEISA-N	-1	0	321.381	0.892	20	30		DCEDRM
Cc1c(C#N)c(=O)n(Cc2cc(C(=O)[O-])ccc2F)c(=O)n1C	ZINC001599974073	986060347	/nfs/dbraw/zinc/06/03/47/986060347.db2.gz	JMYKPDVGLSMZMG-UHFFFAOYSA-N	-1	0	317.276	0.613	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)c1c[nH]c(C(=O)[O-])c1)C1CC1	ZINC001589324184	986154302	/nfs/dbraw/zinc/15/43/02/986154302.db2.gz	XBCDCBSFDKXIDY-CQSZACIVSA-N	-1	0	305.290	0.678	20	30		DCEDRM
C[C@H](C#N)C(=O)N(C)[C@H](CNc1ccnc(C(=O)[O-])n1)C1CC1	ZINC001589324152	986154678	/nfs/dbraw/zinc/15/46/78/986154678.db2.gz	WJSUEKPNKZNEMG-MWLCHTKSSA-N	-1	0	317.349	0.405	20	30		DCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@H]1CNc1ccnc(C(=O)[O-])n1	ZINC001589329204	986162141	/nfs/dbraw/zinc/16/21/41/986162141.db2.gz	LJTHOOXCGJUGIK-UWVGGRQHSA-N	-1	0	303.322	0.159	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001589330671	986177361	/nfs/dbraw/zinc/17/73/61/986177361.db2.gz	MVVFCYNXHRAYME-SCVCMEIPSA-N	-1	0	303.384	0.365	20	30		DCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001589330877	986179564	/nfs/dbraw/zinc/17/95/64/986179564.db2.gz	TYXKLZMRFJHSEX-ZCFIWIBFSA-N	-1	0	311.244	0.877	20	30		DCEDRM
C[C@@H](C(=O)NCC(=O)[O-])N1CCc2c(CC#N)cccc2C1	ZINC001589400661	986567663	/nfs/dbraw/zinc/56/76/63/986567663.db2.gz	PBAPTDJPMQRJCS-NSHDSACASA-N	-1	0	301.346	0.700	20	30		DCEDRM
CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001597321960	987451141	/nfs/dbraw/zinc/45/11/41/987451141.db2.gz	OWDKKMBACGMIJV-JQWIXIFHSA-N	-1	0	309.366	0.754	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C[C@H]21	ZINC001589685251	987725528	/nfs/dbraw/zinc/72/55/28/987725528.db2.gz	WMGNBZRNCMAJJL-MOWSAHLDSA-N	-1	0	318.373	0.330	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC(N=Nc2nc[nH]n2)C[C@@H](C(=O)[O-])C1	ZINC001589910046	988643087	/nfs/dbraw/zinc/64/30/87/988643087.db2.gz	UDSFAGHKMKGYTB-MRVPVSSYSA-N	-1	0	324.341	0.914	20	30		DCEDRM
C[C@@H]1CN(C(=O)Nc2cc(CC#N)ccn2)C[C@@H](C(=O)[O-])O1	ZINC001599858918	989135068	/nfs/dbraw/zinc/13/50/68/989135068.db2.gz	AGZXMZBPBWYKEJ-KOLCDFICSA-N	-1	0	304.306	0.853	20	30		DCEDRM
C[C@@H]1CN(CC(=O)Nc2sccc2C#N)C[C@@H](C(=O)[O-])O1	ZINC001599866093	989260297	/nfs/dbraw/zinc/26/02/97/989260297.db2.gz	VVUDWQUIUFJCFM-SCZZXKLOSA-N	-1	0	309.347	0.732	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)N(C)CCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001532952540	1015477230	/nfs/dbraw/zinc/47/72/30/1015477230.db2.gz	NXVFTCUJPULVRW-OAHLLOKOSA-N	-1	0	324.381	0.281	20	30		DCEDRM
CCn1c(N2CCO[C@@H](CC(=O)[O-])C2)nnc1C(C)(C)C#N	ZINC001597858665	989620566	/nfs/dbraw/zinc/62/05/66/989620566.db2.gz	GZMSTPWBOVVAFL-JTQLQIEISA-N	-1	0	307.354	0.779	20	30		DCEDRM
CC(C)(CC#N)CS(=O)(=O)NC1(CC(=O)[O-])CCOCC1	ZINC001590617062	990296203	/nfs/dbraw/zinc/29/62/03/990296203.db2.gz	YJJYPRDZUISTBJ-UHFFFAOYSA-N	-1	0	318.395	0.870	20	30		DCEDRM
CC(C)C#CC(=O)NCC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001590928098	990938578	/nfs/dbraw/zinc/93/85/78/990938578.db2.gz	RVFLZNOHQJQHGX-KBPBESRZSA-N	-1	0	320.389	0.721	20	30		DCEDRM
CC(C)C#CC(=O)NC/C=C\CNc1ccnc(C(=O)[O-])n1	ZINC001590928041	990938832	/nfs/dbraw/zinc/93/88/32/990938832.db2.gz	PJIOKCZWCILQFI-ARJAWSKDSA-N	-1	0	302.334	0.340	20	30		DCEDRM
CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001598364942	991511409	/nfs/dbraw/zinc/51/14/09/991511409.db2.gz	SETZAFJFZDFQSQ-CQSZACIVSA-N	-1	0	324.358	0.617	20	30		DCEDRM
CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cncc(C#N)n1	ZINC001598479678	992128809	/nfs/dbraw/zinc/12/88/09/992128809.db2.gz	KTDVSIQJIXOBKY-GHMZBOCLSA-N	-1	0	303.322	0.011	20	30		DCEDRM
CC#CCCCC(=O)N1CC[C@@H](NC(=O)CNC(=O)[O-])C[C@H]1C	ZINC001573384129	1163420683	/nfs/dbraw/zinc/42/06/83/1163420683.db2.gz	DDHIZRMLECDJOB-CHWSQXEVSA-N	-1	0	323.393	0.943	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(CCNC(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC001396356102	995340020	/nfs/dbraw/zinc/34/00/20/995340020.db2.gz	YPTBCZGERFWEDZ-VIFPVBQESA-N	-1	0	319.365	0.600	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(C#N)ccn2)C1	ZINC001598771385	995886123	/nfs/dbraw/zinc/88/61/23/995886123.db2.gz	IVNSNPZSDOBKMV-PWSUYJOCSA-N	-1	0	317.301	0.432	20	30		DCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)NCCC(=O)[O-]	ZINC001593641306	995950897	/nfs/dbraw/zinc/95/08/97/995950897.db2.gz	DRZCKZJRLCALQR-JTQLQIEISA-N	-1	0	320.301	0.460	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2cc(C#N)cc(Cl)n2)C[C@@H]1C(=O)[O-]	ZINC001598827284	996396819	/nfs/dbraw/zinc/39/68/19/996396819.db2.gz	LXZQVCMXGAGCHR-DTWKUNHWSA-N	-1	0	309.709	0.917	20	30		DCEDRM
COC(=O)C[C@H](NC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC001598838647	996506657	/nfs/dbraw/zinc/50/66/57/996506657.db2.gz	YTYVBRIEIULACQ-NSHDSACASA-N	-1	0	306.274	0.070	20	30		DCEDRM
CCOC(=O)[C@](C)(O)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001466693153	1016102162	/nfs/dbraw/zinc/10/21/62/1016102162.db2.gz	TXHICNYSLMGTFO-CQSZACIVSA-N	-1	0	307.306	0.011	20	30		DCEDRM
CO[C@H]1CCN(C(=O)Cc2noc(C)c2C#N)[C@H](C(=O)[O-])C1	ZINC001599117466	997680333	/nfs/dbraw/zinc/68/03/33/997680333.db2.gz	HHOFKPKFOAVTQP-CABZTGNLSA-N	-1	0	307.306	0.488	20	30		DCEDRM
C=C(CCC(=O)OC)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001467508405	1016176391	/nfs/dbraw/zinc/17/63/91/1016176391.db2.gz	LPYNXZLWNGOUNZ-JTQLQIEISA-N	-1	0	308.338	0.726	20	30		DCEDRM
COc1cc(C#N)ccc1C(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC001599349636	998070972	/nfs/dbraw/zinc/07/09/72/998070972.db2.gz	ZACRQAHVUYPHSI-OAHLLOKOSA-N	-1	0	304.302	0.930	20	30		DCEDRM
COc1cc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)ccc1C#N	ZINC001599353896	998145014	/nfs/dbraw/zinc/14/50/14/998145014.db2.gz	DAWBZAYZHBQYDC-HNNXBMFYSA-N	-1	0	304.302	0.788	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1NC(=O)NCC(=O)NCC#N	ZINC001599372452	998432521	/nfs/dbraw/zinc/43/25/21/998432521.db2.gz	JAFLSLYRAFYCDI-UHFFFAOYSA-N	-1	0	306.278	0.155	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)cn1	ZINC001594141325	998444040	/nfs/dbraw/zinc/44/40/40/998444040.db2.gz	JKKILDFFQAMIFD-WCBMZHEXSA-N	-1	0	302.290	0.213	20	30		DCEDRM
COC[C@H](C)NC(=S)NN=Cc1cc(C(=O)[O-])c(C)n1C	ZINC001599160442	998448752	/nfs/dbraw/zinc/44/87/52/998448752.db2.gz	PBIFRDNSAMKVAL-QMMMGPOBSA-N	-1	0	312.395	0.865	20	30		DCEDRM
C[C@H]1CC(=O)CCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001594199230	998770745	/nfs/dbraw/zinc/77/07/45/998770745.db2.gz	UYAHGZDLZIEEPQ-VIFPVBQESA-N	-1	0	322.342	0.999	20	30		DCEDRM
C=CCOCC(=O)N1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@@H]1C	ZINC001511287147	1016247119	/nfs/dbraw/zinc/24/71/19/1016247119.db2.gz	VLJUNMCJYHKLDG-GXSJLCMTSA-N	-1	0	322.365	0.346	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)NCc2nc(C#N)cs2)C1	ZINC001599069525	999322208	/nfs/dbraw/zinc/32/22/08/999322208.db2.gz	CQZRCUIDHQDPHS-LBPRGKRZSA-N	-1	0	310.335	0.400	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC001599070168	999326912	/nfs/dbraw/zinc/32/69/12/999326912.db2.gz	HVUYKYJJXBWNFB-INIZCTEOSA-N	-1	0	317.345	0.986	20	30		DCEDRM
N#Cc1ccc(CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001470360117	1016424093	/nfs/dbraw/zinc/42/40/93/1016424093.db2.gz	CWUQPEKWZPFSCI-UHFFFAOYSA-N	-1	0	323.312	0.051	20	30		DCEDRM
N#Cc1cn(C2CN(c3cc(C4CC4)ncn3)C2)c(=O)[n-]c1=O	ZINC001421193475	1003427217	/nfs/dbraw/zinc/42/72/17/1003427217.db2.gz	XLEXXFFZGFSCEC-UHFFFAOYSA-N	-1	0	310.317	0.549	20	30		DCEDRM
COC(=O)CC1(CNc2[n-]c(=O)n(C)c(=O)c2C#N)CCCC1	ZINC001421292078	1003507529	/nfs/dbraw/zinc/50/75/29/1003507529.db2.gz	QAJPHXWCNXLFBP-UHFFFAOYSA-N	-1	0	320.349	0.481	20	30		DCEDRM
Cc1nc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)sc1C	ZINC001472722132	1016846758	/nfs/dbraw/zinc/84/67/58/1016846758.db2.gz	IKQBXCKSZYWJCF-UHFFFAOYSA-N	-1	0	305.363	0.673	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C#N)C3)c1[O-]	ZINC001427255290	1004283563	/nfs/dbraw/zinc/28/35/63/1004283563.db2.gz	CRWWOQDMAIJJIG-VFRUTBLMSA-N	-1	0	317.349	0.445	20	30		DCEDRM
CCS(=O)(=O)CCN(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417704035	1005871962	/nfs/dbraw/zinc/87/19/62/1005871962.db2.gz	GQOKWMVETPLFLC-UHFFFAOYSA-N	-1	0	311.363	0.474	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C=Cc2cccs2)c(=O)[n-]c1=O	ZINC001453841910	1008755640	/nfs/dbraw/zinc/75/56/40/1008755640.db2.gz	JMLVGMISPPICBL-ARJAWSKDSA-N	-1	0	316.342	0.712	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2CCN(C(N)=O)C2)cc1C#N	ZINC001433666606	1009046130	/nfs/dbraw/zinc/04/61/30/1009046130.db2.gz	ZRBVLBQNBPMWLY-QMMMGPOBSA-N	-1	0	321.362	0.264	20	30		DCEDRM
CC(=O)c1cnc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001433732078	1009127622	/nfs/dbraw/zinc/12/76/22/1009127622.db2.gz	QFSBSMDVZYEBSK-UHFFFAOYSA-N	-1	0	319.302	0.118	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](C)[S@](=O)[C@@H](C)C1	ZINC001433908758	1009335205	/nfs/dbraw/zinc/33/52/05/1009335205.db2.gz	ISUDYHVNBQJEQM-XMPXNBJQSA-N	-1	0	307.375	0.949	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCC(c3nnn[n-]3)CC2)cc1	ZINC001455024043	1009450213	/nfs/dbraw/zinc/45/02/13/1009450213.db2.gz	YZEDCQPEVADTCL-CYBMUJFWSA-N	-1	0	312.333	0.511	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2CCCSC2)c(=O)[n-]c1=O	ZINC001434038999	1009480132	/nfs/dbraw/zinc/48/01/32/1009480132.db2.gz	BUAIPLYHLXZOGY-VIFPVBQESA-N	-1	0	308.363	0.080	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC2(CC(=O)N2)CC1	ZINC001442659763	1009590858	/nfs/dbraw/zinc/59/08/58/1009590858.db2.gz	PGJKCBRXIOKGGP-UHFFFAOYSA-N	-1	0	300.318	0.462	20	30		DCEDRM
COC1(CO)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001434151290	1009614269	/nfs/dbraw/zinc/61/42/69/1009614269.db2.gz	XYQMCVBUIHKODA-UHFFFAOYSA-N	-1	0	305.334	0.581	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2occ3c2CCC3)c(=O)[n-]c1=O	ZINC001434206484	1009662385	/nfs/dbraw/zinc/66/23/85/1009662385.db2.gz	GSDGEWUPILQLRZ-UHFFFAOYSA-N	-1	0	314.301	0.332	20	30		DCEDRM
CCc1ccsc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001434207900	1009663395	/nfs/dbraw/zinc/66/33/95/1009663395.db2.gz	PEZJJJIGVSFECA-UHFFFAOYSA-N	-1	0	318.358	0.874	20	30		DCEDRM
C[C@H](c1cccc(O)c1)N(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001434442297	1009959324	/nfs/dbraw/zinc/95/93/24/1009959324.db2.gz	QLYOMQHMWAYKHY-SECBINFHSA-N	-1	0	300.318	0.848	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2cc3c(cc2Cl)OCCO3)c1=O	ZINC001434454337	1009971944	/nfs/dbraw/zinc/97/19/44/1009971944.db2.gz	QLFPVLNGPRVAEM-UHFFFAOYSA-N	-1	0	319.704	0.881	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)o1	ZINC001434608284	1010130864	/nfs/dbraw/zinc/13/08/64/1010130864.db2.gz	SQYKWJCWORELKU-SNVBAGLBSA-N	-1	0	309.347	0.440	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2nc3c(o2)CCCC3)c(=O)[n-]c1=O	ZINC001457103881	1011590836	/nfs/dbraw/zinc/59/08/36/1011590836.db2.gz	SQTPUTMHDWCCNY-UHFFFAOYSA-N	-1	0	315.289	0.326	20	30		DCEDRM
Cc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c(C#N)c1	ZINC001423998824	1011821207	/nfs/dbraw/zinc/82/12/07/1011821207.db2.gz	HZKCUKJFTXDSRI-UHFFFAOYSA-N	-1	0	308.319	0.064	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001535210393	1011860624	/nfs/dbraw/zinc/86/06/24/1011860624.db2.gz	IEPFAWZGTOTTMP-CQSZACIVSA-N	-1	0	322.365	0.129	20	30		DCEDRM
CCc1ccc(C)nc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001457938826	1011980275	/nfs/dbraw/zinc/98/02/75/1011980275.db2.gz	LHFCGVBEKWNPOL-UHFFFAOYSA-N	-1	0	313.317	0.725	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccc3cc[nH]c3n2)c(=O)[n-]c1=O	ZINC001557600949	1012284748	/nfs/dbraw/zinc/28/47/48/1012284748.db2.gz	OCTQCWGSWQVAKG-UHFFFAOYSA-N	-1	0	324.300	0.127	20	30		DCEDRM
CCn1c(CNc2[n-]c(=O)n(C)c(=O)c2C#N)nc2ccccc21	ZINC001559055553	1012404599	/nfs/dbraw/zinc/40/45/99/1012404599.db2.gz	SZODYACNRCFYKS-UHFFFAOYSA-N	-1	0	324.344	0.927	20	30		DCEDRM
C#C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccc1	ZINC001461150946	1013008782	/nfs/dbraw/zinc/00/87/82/1013008782.db2.gz	XCDDTFXKPIBUIK-ZDUSSCGKSA-N	-1	0	307.313	0.562	20	30		DCEDRM
C[C@H]1CCCC[C@H]1OCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001515362518	1017119344	/nfs/dbraw/zinc/11/93/44/1017119344.db2.gz	QAAPVGVDZJZNEA-CMPLNLGQSA-N	-1	0	306.366	0.952	20	30		DCEDRM
C#CCCCC(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001510529788	1017689937	/nfs/dbraw/zinc/68/99/37/1017689937.db2.gz	VLFKVCJADZNKKZ-JTQLQIEISA-N	-1	0	306.366	0.804	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)OCC	ZINC001494709570	1017970854	/nfs/dbraw/zinc/97/08/54/1017970854.db2.gz	DONSWDPOGWYJBY-RYUDHWBXSA-N	-1	0	323.397	0.572	20	30		DCEDRM
C#CCN1CC(N(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	ZINC001499795412	1018077778	/nfs/dbraw/zinc/07/77/78/1018077778.db2.gz	NSBXIIRPZWNEPU-UHFFFAOYSA-N	-1	0	305.300	0.219	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001480251393	1018361126	/nfs/dbraw/zinc/36/11/26/1018361126.db2.gz	PXOBXJVRGFLSEN-IAQYHMDHSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=C[C@@H](CC)CC(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001500713803	1018603183	/nfs/dbraw/zinc/60/31/83/1018603183.db2.gz	BMTMHRROYCJQMT-NHYWBVRUSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001500713802	1018604963	/nfs/dbraw/zinc/60/49/63/1018604963.db2.gz	BMTMHRROYCJQMT-IAQYHMDHSA-N	-1	0	323.397	0.166	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@H](CNCC#N)C1	ZINC001480680295	1018771102	/nfs/dbraw/zinc/77/11/02/1018771102.db2.gz	JBJGGDRXDHLMPY-SECBINFHSA-N	-1	0	320.315	0.405	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@H](CNCC#N)C1	ZINC001480680296	1018772520	/nfs/dbraw/zinc/77/25/20/1018772520.db2.gz	JBJGGDRXDHLMPY-VIFPVBQESA-N	-1	0	320.315	0.405	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N(C)CCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001501113942	1018893986	/nfs/dbraw/zinc/89/39/86/1018893986.db2.gz	GLFATKZYPUXCFD-LLVKDONJSA-N	-1	0	324.381	0.545	20	30		DCEDRM
C=C(Cl)CN1CCC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001493154542	1019148621	/nfs/dbraw/zinc/14/86/21/1019148621.db2.gz	DHBVFLSAMTUHAI-SECBINFHSA-N	-1	0	315.761	0.022	20	30		DCEDRM
C[C@@H]1CN(C(=O)NCC2(C#N)CCOCC2)C[C@@H](C(=O)[O-])O1	ZINC001607432737	1170452260	/nfs/dbraw/zinc/45/22/60/1170452260.db2.gz	BBGMMTBBJMNVEA-MNOVXSKESA-N	-1	0	311.338	0.190	20	30		DCEDRM
CC[C@@H](CC#N)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000273811868	529448736	/nfs/dbraw/zinc/44/87/36/529448736.db2.gz	AXMOCXKWNTZDIY-ZETCQYMHSA-N	-1	0	323.334	0.407	20	30		DCEDRM
Cc1nccc(C/N=C(/[O-])c2cnc3n(c2=O)CCS3)n1	ZINC000329023712	238583873	/nfs/dbraw/zinc/58/38/73/238583873.db2.gz	MZHVYRXGJWKBBR-UHFFFAOYSA-N	-1	0	303.347	0.952	20	30		DCEDRM
Cc1csc(=O)n1CCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000026269091	395694296	/nfs/dbraw/zinc/69/42/96/395694296.db2.gz	YJGLUEYOYMYXAI-UHFFFAOYSA-N	-1	0	302.319	0.713	20	30		DCEDRM
C=CCN(C1CC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000271525333	395870397	/nfs/dbraw/zinc/87/03/97/395870397.db2.gz	BHGAYNAIGGATCX-UHFFFAOYSA-N	-1	0	322.346	0.775	20	30		DCEDRM
CSCC[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159542305	396069129	/nfs/dbraw/zinc/06/91/29/396069129.db2.gz	YXOUEIMWNXNUTC-SNVBAGLBSA-N	-1	0	315.376	0.438	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000262144869	396104480	/nfs/dbraw/zinc/10/44/80/396104480.db2.gz	MMWIKIUXHZTCEH-CQSZACIVSA-N	-1	0	304.302	0.925	20	30		DCEDRM
C[C@@](O)(CNS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000263455004	396217296	/nfs/dbraw/zinc/21/72/96/396217296.db2.gz	BSJHUJJESQYQOT-LLVKDONJSA-N	-1	0	318.738	0.326	20	30		DCEDRM
CSCCN(CC(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000594679520	396496590	/nfs/dbraw/zinc/49/65/90/396496590.db2.gz	GBJGNKLNCGWVEE-UHFFFAOYSA-N	-1	0	315.376	0.392	20	30		DCEDRM
C=CCCSCCNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000594718695	396501196	/nfs/dbraw/zinc/50/11/96/396501196.db2.gz	AMYBJRJFOXXWHY-LLVKDONJSA-N	-1	0	322.452	0.927	20	30		DCEDRM
CC(C)CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000515656510	396507913	/nfs/dbraw/zinc/50/79/13/396507913.db2.gz	HINSJFFNDUDKDI-LLVKDONJSA-N	-1	0	305.400	0.898	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC[C@@H]1C(=O)[O-]	ZINC000290678697	396469703	/nfs/dbraw/zinc/46/97/03/396469703.db2.gz	PVCWJFARVCZWLU-SKDRFNHKSA-N	-1	0	309.347	0.685	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000594529002	396484395	/nfs/dbraw/zinc/48/43/95/396484395.db2.gz	WTJIRERAFDZTAN-QMMMGPOBSA-N	-1	0	305.290	0.342	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)NCc1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000594529136	396484409	/nfs/dbraw/zinc/48/44/09/396484409.db2.gz	GQZIXOKQTYMGSC-MRVPVSSYSA-N	-1	0	307.281	0.150	20	30		DCEDRM
C[C@H](CNC(=O)C(=O)N[C@H](CCC#N)c1ccccc1)C(=O)[O-]	ZINC000594529475	396484559	/nfs/dbraw/zinc/48/45/59/396484559.db2.gz	JMGSFOQUVFOWNX-DGCLKSJQSA-N	-1	0	317.345	0.985	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](C)c1cnn(C)c1C)C(=O)[O-]	ZINC000581407129	396551764	/nfs/dbraw/zinc/55/17/64/396551764.db2.gz	XIOIZKPSIJEISC-CABZTGNLSA-N	-1	0	310.354	0.745	20	30		DCEDRM
N#CC1(CS(=O)(=O)NC2(C(=O)[O-])CCOCC2)CCCC1	ZINC000558590280	396611565	/nfs/dbraw/zinc/61/15/65/396611565.db2.gz	ILWXHIWPGMLRQY-UHFFFAOYSA-N	-1	0	316.379	0.624	20	30		DCEDRM
COC(=O)c1ccc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)c(C#N)n1	ZINC000595981602	396702586	/nfs/dbraw/zinc/70/25/86/396702586.db2.gz	YGKAVVNHAOHMEX-XXFPWJFMSA-N	-1	0	305.290	0.376	20	30		DCEDRM
Cc1cc([N-]S(=O)(=O)c2cnc(C)n2C)n(CCC#N)n1	ZINC000600647567	396905052	/nfs/dbraw/zinc/90/50/52/396905052.db2.gz	PWCCSXHPRCMYCP-UHFFFAOYSA-N	-1	0	308.367	0.948	20	30		DCEDRM
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnnn1C	ZINC000600650857	396905467	/nfs/dbraw/zinc/90/54/67/396905467.db2.gz	QTPMYYJQFGFMAT-UHFFFAOYSA-N	-1	0	306.351	0.919	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1cccc(C#N)c1	ZINC000591459247	396924106	/nfs/dbraw/zinc/92/41/06/396924106.db2.gz	SWVSCCQLMUILSD-MFKMUULPSA-N	-1	0	315.329	0.669	20	30		DCEDRM
C=CCN(C(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000634869431	396926950	/nfs/dbraw/zinc/92/69/50/396926950.db2.gz	IXPQAERBZAQZJE-VWYCJHECSA-N	-1	0	315.391	0.545	20	30		DCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000591564165	396928667	/nfs/dbraw/zinc/92/86/67/396928667.db2.gz	HIVBLCCPRJOAMK-NSHDSACASA-N	-1	0	317.301	0.581	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1nn(C)c(C)c1Cl)C(=O)[O-]	ZINC000630186740	396956842	/nfs/dbraw/zinc/95/68/42/396956842.db2.gz	XHXQBFZKVLHZOE-QMMMGPOBSA-N	-1	0	301.730	0.768	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F)cn1	ZINC000572522441	397067702	/nfs/dbraw/zinc/06/77/02/397067702.db2.gz	JKLKVZIHDNSMDB-ZETCQYMHSA-N	-1	0	319.289	0.588	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H](CO)[C@@H]2CCOC2)s1	ZINC000619548640	397148573	/nfs/dbraw/zinc/14/85/73/397148573.db2.gz	HWJCWJRGPFREIH-NXEZZACHSA-N	-1	0	316.404	0.543	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c1C#N	ZINC000619708751	397178496	/nfs/dbraw/zinc/17/84/96/397178496.db2.gz	HTLAMSNQAVNSNN-CYBMUJFWSA-N	-1	0	310.331	0.389	20	30		DCEDRM
Cn1nccc1[C@@H](NS(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC000592458953	397183395	/nfs/dbraw/zinc/18/33/95/397183395.db2.gz	WWGKSYWDZONMIJ-SNVBAGLBSA-N	-1	0	312.351	0.159	20	30		DCEDRM
CC(C)Cc1nc(=NC(=O)[C@H](C)n2cnc(C#N)n2)s[n-]1	ZINC000598190376	397187733	/nfs/dbraw/zinc/18/77/33/397187733.db2.gz	BVRFHNDULVNWMQ-QMMMGPOBSA-N	-1	0	305.367	0.821	20	30		DCEDRM
N#Cc1cccc(-c2cc(=O)n([C@@H]3CCS(=O)(=O)C3)[n-]2)c1	ZINC000601931990	397271405	/nfs/dbraw/zinc/27/14/05/397271405.db2.gz	KQVWQXXDGCFZMN-GFCCVEGCSA-N	-1	0	303.343	0.682	20	30		DCEDRM
CC[C@H](CSC)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602135201	397315558	/nfs/dbraw/zinc/31/55/58/397315558.db2.gz	YRGQKEWUCSZNBA-LLVKDONJSA-N	-1	0	324.406	0.811	20	30		DCEDRM
C[C@H]1Cc2ccccc2N1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602042037	397289029	/nfs/dbraw/zinc/28/90/29/397289029.db2.gz	BEXYDMHGSIWASQ-JTQLQIEISA-N	-1	0	310.313	0.798	20	30		DCEDRM
C[C@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC000602108247	397303230	/nfs/dbraw/zinc/30/32/30/397303230.db2.gz	FWAZRXYAOSSVRH-QWRGUYRKSA-N	-1	0	304.350	0.858	20	30		DCEDRM
C[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C	ZINC000602108222	397303544	/nfs/dbraw/zinc/30/35/44/397303544.db2.gz	FWAZRXYAOSSVRH-GHMZBOCLSA-N	-1	0	304.350	0.858	20	30		DCEDRM
CS[C@H]1CCCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602122565	397309712	/nfs/dbraw/zinc/30/97/12/397309712.db2.gz	GGFWZNDVXZYELM-NSHDSACASA-N	-1	0	322.390	0.565	20	30		DCEDRM
C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@@H]1C	ZINC000602133473	397314039	/nfs/dbraw/zinc/31/40/39/397314039.db2.gz	PFOJMBVBSWKDTL-MNOVXSKESA-N	-1	0	304.350	0.715	20	30		DCEDRM
CSC1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602196233	397340595	/nfs/dbraw/zinc/34/05/95/397340595.db2.gz	HRVKIYFDSLRTAK-UHFFFAOYSA-N	-1	0	308.363	0.175	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)CC1	ZINC000577650512	397349986	/nfs/dbraw/zinc/34/99/86/397349986.db2.gz	WCQOQHHVDICKJQ-GHMZBOCLSA-N	-1	0	316.379	0.168	20	30		DCEDRM
N#Cc1cc(N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)ncn1	ZINC000593326063	397351905	/nfs/dbraw/zinc/35/19/05/397351905.db2.gz	HKCZTGWKXRCJCZ-SNVBAGLBSA-N	-1	0	315.333	0.250	20	30		DCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCC(C)(C)C1	ZINC000602140737	397318567	/nfs/dbraw/zinc/31/85/67/397318567.db2.gz	GGVZAIPAAGFSQZ-LLVKDONJSA-N	-1	0	304.350	0.858	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](CO)CCF)c(F)c1	ZINC000593656679	397419838	/nfs/dbraw/zinc/41/98/38/397419838.db2.gz	OCLGULMODPXKJQ-QMMMGPOBSA-N	-1	0	308.281	0.835	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])CCC1	ZINC000593944993	397485462	/nfs/dbraw/zinc/48/54/62/397485462.db2.gz	CWBDAMSICTZSIQ-GFCCVEGCSA-N	-1	0	323.374	0.691	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)NCC2(CC#N)CC2)CC[C@H]1C(=O)[O-]	ZINC000599940787	397547502	/nfs/dbraw/zinc/54/75/02/397547502.db2.gz	QZXVANACDDJIDS-GHMZBOCLSA-N	-1	0	307.350	0.366	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000495620486	397549120	/nfs/dbraw/zinc/54/91/20/397549120.db2.gz	RLXNKLWZJNOINZ-SECBINFHSA-N	-1	0	306.384	0.779	20	30		DCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000594527025	397564723	/nfs/dbraw/zinc/56/47/23/397564723.db2.gz	IAUIIOJTHBJDDN-SECBINFHSA-N	-1	0	319.317	0.732	20	30		DCEDRM
CC1(C)CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@@H]1C(=O)[O-]	ZINC000579448271	397567657	/nfs/dbraw/zinc/56/76/57/397567657.db2.gz	AQGMENHHGDTMJT-LLVKDONJSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1[C@@H](C(=O)[O-])CCC1(C)C	ZINC000579844748	397595160	/nfs/dbraw/zinc/59/51/60/397595160.db2.gz	LSDSWPZCCPFZKE-VHSXEESVSA-N	-1	0	303.384	0.793	20	30		DCEDRM
C[C@@](CO)(CNS(=O)(=O)c1ccc(C#N)s1)CC(=O)[O-]	ZINC000579912134	397597440	/nfs/dbraw/zinc/59/74/40/397597440.db2.gz	GXTGEBOXCJWDEL-NSHDSACASA-N	-1	0	318.376	0.371	20	30		DCEDRM
N#Cc1nc(NC(=O)Cc2ccc(-n3cnnn3)cc2)[n-]c1C#N	ZINC000073920022	158056808	/nfs/dbraw/zinc/05/68/08/158056808.db2.gz	NXYCYWHHNKGUEG-UHFFFAOYSA-N	-1	0	319.288	0.310	20	30		DCEDRM
CC(C)(C)[C@@H]1CCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001647619537	1173001875	/nfs/dbraw/zinc/00/18/75/1173001875.db2.gz	ACIHCXUXHNLMET-NSHDSACASA-N	-1	0	304.350	0.858	20	30		DCEDRM
CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ccn1	ZINC000342432633	415174182	/nfs/dbraw/zinc/17/41/82/415174182.db2.gz	IGEPONPKIXTSFD-UHFFFAOYSA-N	-1	0	320.330	0.471	20	30		DCEDRM
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(CC#N)CC#N)c1	ZINC000342562829	415209813	/nfs/dbraw/zinc/20/98/13/415209813.db2.gz	IPKLYIYKTGXTGH-UHFFFAOYSA-N	-1	0	322.346	0.132	20	30		DCEDRM
C=CCc1cc(CNC(=O)c2n[nH]c(=O)[n-]2)cc(OC)c1OC	ZINC000065323004	415357184	/nfs/dbraw/zinc/35/71/84/415357184.db2.gz	OHYVMANQYQKZAV-UHFFFAOYSA-N	-1	0	318.333	0.774	20	30		DCEDRM
C#CCO[N-]C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000291134300	415829708	/nfs/dbraw/zinc/82/97/08/415829708.db2.gz	WXMZYMBJHBUUNJ-UHFFFAOYSA-N	-1	0	316.766	0.642	20	30		DCEDRM
C=CCCCS(=O)(=O)[N-]c1ncn(CC(=O)N(C)C)n1	ZINC000291824100	415835294	/nfs/dbraw/zinc/83/52/94/415835294.db2.gz	FLKQAAGVIZXXRZ-UHFFFAOYSA-N	-1	0	301.372	0.074	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000290446382	415806489	/nfs/dbraw/zinc/80/64/89/415806489.db2.gz	CGKAZRNRTKFRLR-ONGXEEELSA-N	-1	0	309.347	0.827	20	30		DCEDRM
C[C@H]1CCC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cncc(C#N)c1	ZINC000290729039	415823008	/nfs/dbraw/zinc/82/30/08/415823008.db2.gz	VVPHZUTXPHJFRL-CABZTGNLSA-N	-1	0	309.347	0.970	20	30		DCEDRM
Cn1ncc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c1C#N	ZINC000355546391	415865045	/nfs/dbraw/zinc/86/50/45/415865045.db2.gz	QBLJWGFWERBQNB-UHFFFAOYSA-N	-1	0	310.273	0.887	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC000358525203	416249704	/nfs/dbraw/zinc/24/97/04/416249704.db2.gz	IMMNTQPKTJAEAZ-UHFFFAOYSA-N	-1	0	316.306	0.058	20	30		DCEDRM
CCOC(=O)Cn1cccc(N=C([O-])N2C[C@@H](O)C[C@@H]2C)c1=O	ZINC000330983557	416251982	/nfs/dbraw/zinc/25/19/82/416251982.db2.gz	HPXOMESJGCHKCT-QWRGUYRKSA-N	-1	0	323.349	0.412	20	30		DCEDRM
C[C@@H](C[S@](C)=O)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000183196048	416238136	/nfs/dbraw/zinc/23/81/36/416238136.db2.gz	QUZKMGNWOBFFOM-IIYDVTGLSA-N	-1	0	322.358	0.882	20	30		DCEDRM
N#Cc1cnn(-c2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)cc2)c1N	ZINC000358947770	416296164	/nfs/dbraw/zinc/29/61/64/416296164.db2.gz	IWEYZPRDPXIBTD-UHFFFAOYSA-N	-1	0	324.304	0.080	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)NC(C)(C)c1nnn[n-]1	ZINC000359790983	416359212	/nfs/dbraw/zinc/35/92/12/416359212.db2.gz	PTOWIYSYKICHRX-UHFFFAOYSA-N	-1	0	316.321	0.510	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2nccnc2C#N)C1=O	ZINC000416448120	416369863	/nfs/dbraw/zinc/36/98/63/416369863.db2.gz	SVPJJJWNIPSOBS-GXSJLCMTSA-N	-1	0	303.322	0.470	20	30		DCEDRM
C=CCCS(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000417443880	416382942	/nfs/dbraw/zinc/38/29/42/416382942.db2.gz	BCCOISBOPFHNGK-GHMZBOCLSA-N	-1	0	318.395	0.192	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC000422655860	416445183	/nfs/dbraw/zinc/44/51/83/416445183.db2.gz	VIHZNAOUQLMAQJ-NSHDSACASA-N	-1	0	301.302	0.738	20	30		DCEDRM
C#CCN(C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)C1CCCC1	ZINC000491405248	416597835	/nfs/dbraw/zinc/59/78/35/416597835.db2.gz	HQWSUORANVYDTR-STQMWFEESA-N	-1	0	320.389	0.960	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)Nc1n[nH]c2cc(C#N)c(C)cc21	ZINC000595999095	416574328	/nfs/dbraw/zinc/57/43/28/416574328.db2.gz	JRQGMZMDQPMFDJ-AWEZNQCLSA-N	-1	0	302.290	1.171	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000491737014	416619720	/nfs/dbraw/zinc/61/97/20/416619720.db2.gz	QJOGOCANUYGEHV-SNVBAGLBSA-N	-1	0	320.276	0.323	20	30		DCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000491817989	416631825	/nfs/dbraw/zinc/63/18/25/416631825.db2.gz	KAKCVIWAGBTGCO-ZETCQYMHSA-N	-1	0	308.319	0.126	20	30		DCEDRM
CC(C)C[C@@H](CNC(=O)NCCn1cnc(C#N)n1)C(=O)[O-]	ZINC000424446020	416647062	/nfs/dbraw/zinc/64/70/62/416647062.db2.gz	FWJPUCQJWWNUFP-JTQLQIEISA-N	-1	0	308.342	0.196	20	30		DCEDRM
CC(C)(CCNC(=O)C(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000424471577	416652086	/nfs/dbraw/zinc/65/20/86/416652086.db2.gz	SVOFWZOJVYYTJR-UHFFFAOYSA-N	-1	0	316.357	0.771	20	30		DCEDRM
N#Cc1ccc(Cl)cc1N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424478105	416653701	/nfs/dbraw/zinc/65/37/01/416653701.db2.gz	WVUXUFSQIZFLDO-NSHDSACASA-N	-1	0	314.750	0.900	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](CC1CCC1)C(=O)[O-]	ZINC000563226042	416877233	/nfs/dbraw/zinc/87/72/33/416877233.db2.gz	LGLVSECARHBVJA-KOLCDFICSA-N	-1	0	303.384	0.698	20	30		DCEDRM
Cc1oc(CNS(=O)(=O)N(C)[C@@H](C)CC#N)cc1C(=O)[O-]	ZINC000565308417	416961348	/nfs/dbraw/zinc/96/13/48/416961348.db2.gz	UIPBCLDFJSIWOA-QMMMGPOBSA-N	-1	0	315.351	0.855	20	30		DCEDRM
C=CCCOCCNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC000567793818	417067083	/nfs/dbraw/zinc/06/70/83/417067083.db2.gz	GWZZJTXQYFTPNB-UHFFFAOYSA-N	-1	0	314.363	0.959	20	30		DCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]CC1(C#N)CC1	ZINC000568465762	417139211	/nfs/dbraw/zinc/13/92/11/417139211.db2.gz	LFXDKVHHSINDGN-UHFFFAOYSA-N	-1	0	301.349	0.512	20	30		DCEDRM
CCOC(=O)[C@](C)(O)CNS(=O)(=O)CC(C)(C)CC#N	ZINC000451399936	417340262	/nfs/dbraw/zinc/34/02/62/417340262.db2.gz	XQFDLRKEFPRZNM-GFCCVEGCSA-N	-1	0	306.384	0.160	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cnc(C)s1)C(=O)[O-]	ZINC000570798934	417390926	/nfs/dbraw/zinc/39/09/26/417390926.db2.gz	JIXHDHOZDXGIJF-QMMMGPOBSA-N	-1	0	306.365	0.386	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000573924354	417476789	/nfs/dbraw/zinc/47/67/89/417476789.db2.gz	DTNHFIUESXPXOG-GHMZBOCLSA-N	-1	0	305.400	0.659	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)CC1CC(F)(F)C1)C(=O)[O-]	ZINC000575919911	417561599	/nfs/dbraw/zinc/56/15/99/417561599.db2.gz	DBBDUVGCPYVKOR-VIFPVBQESA-N	-1	0	313.322	0.607	20	30		DCEDRM
C=CCC[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C(=O)OCC	ZINC000456605875	417656647	/nfs/dbraw/zinc/65/66/47/417656647.db2.gz	LFXCYRIIFOUQPU-QMMMGPOBSA-N	-1	0	314.367	0.617	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000646169087	417794046	/nfs/dbraw/zinc/79/40/46/417794046.db2.gz	IWNHXJKICXCERT-LLVKDONJSA-N	-1	0	300.355	0.352	20	30		DCEDRM
C=CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@H](C)COC	ZINC000662910567	417947943	/nfs/dbraw/zinc/94/79/43/417947943.db2.gz	AHMWWWTVTGGVQH-WDEREUQCSA-N	-1	0	300.355	0.215	20	30		DCEDRM
C=CCCC(C)(C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000663435216	418020139	/nfs/dbraw/zinc/02/01/39/418020139.db2.gz	KHTUIRXJMCPGKN-UHFFFAOYSA-N	-1	0	301.368	0.991	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000659060163	418052006	/nfs/dbraw/zinc/05/20/06/418052006.db2.gz	JRXMSJGRMOUIOH-SECBINFHSA-N	-1	0	307.306	0.162	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)nn1	ZINC000647769423	418053413	/nfs/dbraw/zinc/05/34/13/418053413.db2.gz	WVGRLQATDRVPSR-NSHDSACASA-N	-1	0	304.310	0.143	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1cnn2ccccc12)C(=O)[O-]	ZINC000649250865	418215366	/nfs/dbraw/zinc/21/53/66/418215366.db2.gz	AGOUGCIPXVZTIJ-GFCCVEGCSA-N	-1	0	303.318	0.649	20	30		DCEDRM
CC[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)NC	ZINC000452095739	267221998	/nfs/dbraw/zinc/22/19/98/267221998.db2.gz	XQTFGCHMACRYIK-JTQLQIEISA-N	-1	0	317.317	0.639	20	30		DCEDRM
COC[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000547890617	288088936	/nfs/dbraw/zinc/08/89/36/288088936.db2.gz	PKFZAPWMNKABIX-SECBINFHSA-N	-1	0	318.738	0.590	20	30		DCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C#N)ccc1C	ZINC000547907878	288090537	/nfs/dbraw/zinc/09/05/37/288090537.db2.gz	LDVPRGWQAVHLEM-LLVKDONJSA-N	-1	0	312.347	0.587	20	30		DCEDRM
COCCN(CCC(=O)[O-])S(=O)(=O)c1cccc(C#N)c1	ZINC000547907352	288090562	/nfs/dbraw/zinc/09/05/62/288090562.db2.gz	LRXXLFRWMJQVSC-UHFFFAOYSA-N	-1	0	312.347	0.670	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1C#N	ZINC000551310645	288227180	/nfs/dbraw/zinc/22/71/80/288227180.db2.gz	DKTLVFDGQJBSKG-NSHDSACASA-N	-1	0	310.331	0.341	20	30		DCEDRM
Cc1cc(C)c(S(=O)(=O)N2CCOC[C@H]2C#N)cc1C(=O)[O-]	ZINC000273684549	301195018	/nfs/dbraw/zinc/19/50/18/301195018.db2.gz	HVTBWCDIQBCKRG-LLVKDONJSA-N	-1	0	324.358	0.915	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)[n-]c1C#N	ZINC000128228551	303216756	/nfs/dbraw/zinc/21/67/56/303216756.db2.gz	HOQHOCALDLQDOO-GFCCVEGCSA-N	-1	0	307.269	0.873	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(C(=O)[O-])o1	ZINC000570687942	332799247	/nfs/dbraw/zinc/79/92/47/332799247.db2.gz	SAJIGPHHNPUYCE-VIFPVBQESA-N	-1	0	315.351	0.794	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N1CCCCCC[C@H]1C(=O)[O-]	ZINC000558580327	331926270	/nfs/dbraw/zinc/92/62/70/331926270.db2.gz	DALUDNKHYLKVAE-NSHDSACASA-N	-1	0	303.384	0.796	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	ZINC000518542119	332077698	/nfs/dbraw/zinc/07/76/98/332077698.db2.gz	KELMIBFFZPKVNX-ZYHUDNBSSA-N	-1	0	303.384	0.652	20	30		DCEDRM
CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O	ZINC000042279468	332241127	/nfs/dbraw/zinc/24/11/27/332241127.db2.gz	FWUMHICSJLGZOC-UHFFFAOYSA-N	-1	0	318.376	0.273	20	30		DCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](C)C[C@H]1CCCO1)C(=O)[O-]	ZINC000570290752	332736442	/nfs/dbraw/zinc/73/64/42/332736442.db2.gz	SBJHTJBWMVWCSG-TUAOUCFPSA-N	-1	0	300.355	0.899	20	30		DCEDRM
CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)N(CC)C[C@H](C)C#N	ZINC000417422082	334869608	/nfs/dbraw/zinc/86/96/08/334869608.db2.gz	NNIVDMDMCHUTHJ-GHMZBOCLSA-N	-1	0	305.400	0.898	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H]1COc2ccccc2C1)C(=O)[O-]	ZINC000580390555	336264537	/nfs/dbraw/zinc/26/45/37/336264537.db2.gz	ASHRCQWPRKTAIM-QWHCGFSZSA-N	-1	0	320.345	0.945	20	30		DCEDRM
C=CCC[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000583737476	337331782	/nfs/dbraw/zinc/33/17/82/337331782.db2.gz	ZRHIDKWIJMVRBC-SNVBAGLBSA-N	-1	0	311.298	0.510	20	30		DCEDRM
N#CCCCC(=O)NCCN1c2ccccc2[N-]S1(=O)=O	ZINC000450763466	338704328	/nfs/dbraw/zinc/70/43/28/338704328.db2.gz	VHNFVLCTIOBTAY-UHFFFAOYSA-N	-1	0	308.363	0.973	20	30		DCEDRM
COC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000494502697	339951783	/nfs/dbraw/zinc/95/17/83/339951783.db2.gz	GKQZMYUTBQPVSL-JTQLQIEISA-N	-1	0	317.367	0.215	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cc2c(cc1C)OCO2	ZINC000530420936	340791138	/nfs/dbraw/zinc/79/11/38/340791138.db2.gz	IEQNLNJNODFTKD-UHFFFAOYSA-N	-1	0	313.331	0.985	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1csnc1C(=O)OC	ZINC000547909787	341239050	/nfs/dbraw/zinc/23/90/50/341239050.db2.gz	QGGGXMIANSUBLM-UHFFFAOYSA-N	-1	0	320.348	0.191	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000548567147	341266089	/nfs/dbraw/zinc/26/60/89/341266089.db2.gz	FFJGJWXXNBZJLN-UHFFFAOYSA-N	-1	0	312.303	0.795	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@]1(C(=O)[O-])CCC(C)(C)C1	ZINC000552001298	341358902	/nfs/dbraw/zinc/35/89/02/341358902.db2.gz	VGDUSIQGRPMQBW-GFCCVEGCSA-N	-1	0	303.384	0.700	20	30		DCEDRM
C[C@](O)(CNS(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)[O-]	ZINC000566241232	341551703	/nfs/dbraw/zinc/55/17/03/341551703.db2.gz	VVRIRDYUFICVSK-ZDUSSCGKSA-N	-1	0	312.347	0.008	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCC(C)(C)[C@H]1C(=O)[O-]	ZINC000567476194	341609132	/nfs/dbraw/zinc/60/91/32/341609132.db2.gz	DBQRBAOTENVMIP-WDEREUQCSA-N	-1	0	317.411	0.898	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(CCOC)[C@@H](C)C(=O)[O-]	ZINC000568001645	341645030	/nfs/dbraw/zinc/64/50/30/341645030.db2.gz	DBDQXMFBWMCDEF-MNOVXSKESA-N	-1	0	321.399	0.134	20	30		DCEDRM
CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCC#CCO	ZINC000576120949	341828083	/nfs/dbraw/zinc/82/80/83/341828083.db2.gz	UWYZCUMTCQSQPC-UHFFFAOYSA-N	-1	0	310.375	0.564	20	30		DCEDRM
N#CC1(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)CCOCC1	ZINC001601055764	1159779614	/nfs/dbraw/zinc/77/96/14/1159779614.db2.gz	ACXQTWPIAISOQK-UHFFFAOYSA-N	-1	0	314.319	0.576	20	30		DCEDRM
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)N2CCOCC2)n1	ZINC000163932593	519147212	/nfs/dbraw/zinc/14/72/12/519147212.db2.gz	GHHSKVAWMHXURV-UHFFFAOYSA-N	-1	0	313.383	0.499	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CSCN1C(=O)CC)C(=O)[O-]	ZINC000263040638	526807766	/nfs/dbraw/zinc/80/77/66/526807766.db2.gz	PEJHLSSMCNXTLV-VHSXEESVSA-N	-1	0	316.379	0.070	20	30		DCEDRM
C=CCOC[C@H]([N-]S(=O)(=O)Cc1ccccc1)C(=O)OC	ZINC000360587941	526810629	/nfs/dbraw/zinc/81/06/29/526810629.db2.gz	FUYIDZUEXBMYBN-ZDUSSCGKSA-N	-1	0	313.375	0.850	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1CN(C(=O)C2CCCCC2)C1	ZINC000408490569	526978469	/nfs/dbraw/zinc/97/84/69/526978469.db2.gz	BQORGTUDKSHFLT-UHFFFAOYSA-N	-1	0	314.407	0.657	20	30		DCEDRM
C=CCC[C@H](NC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)[O-]	ZINC000262791940	527474458	/nfs/dbraw/zinc/47/44/58/527474458.db2.gz	BWTWKLADDAXXRK-JTQLQIEISA-N	-1	0	303.380	0.879	20	30		DCEDRM
C=CCC[C@H](NC(=O)CNC(=O)c1cccc(OC)c1)C(=O)[O-]	ZINC000263034893	527475659	/nfs/dbraw/zinc/47/56/59/527475659.db2.gz	ZDNULKPFGUXDOT-ZDUSSCGKSA-N	-1	0	320.345	0.961	20	30		DCEDRM
CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000273700710	527890599	/nfs/dbraw/zinc/89/05/99/527890599.db2.gz	NQJKVVRGEPGHDL-UHFFFAOYSA-N	-1	0	313.291	0.827	20	30		DCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)CSCC(=O)[O-])c1	ZINC000738466588	597088981	/nfs/dbraw/zinc/08/89/81/597088981.db2.gz	DBSFCZJTPGCOEM-UHFFFAOYSA-N	-1	0	320.370	0.883	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H](CC)C(=O)[O-]	ZINC000817675458	597220200	/nfs/dbraw/zinc/22/02/00/597220200.db2.gz	XRZPDSWUIVULHR-SNVBAGLBSA-N	-1	0	322.292	0.756	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)CCN2CC[C@@H](C(=O)[O-])C2)c1	ZINC000163338846	597387095	/nfs/dbraw/zinc/38/70/95/597387095.db2.gz	MCQNGGSLLJKWOR-GFCCVEGCSA-N	-1	0	308.359	0.738	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(c2ccccn2)C1	ZINC000819834432	597603388	/nfs/dbraw/zinc/60/33/88/597603388.db2.gz	NFEPNYVNZRLYCE-NHYWBVRUSA-N	-1	0	302.334	0.781	20	30		DCEDRM
CN(Cc1ccco1)C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820607831	597613338	/nfs/dbraw/zinc/61/33/38/597613338.db2.gz	YDHJGDIRUWYFRD-CQSZACIVSA-N	-1	0	308.290	0.786	20	30		DCEDRM
CN(CC(F)(F)F)C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820574336	597620266	/nfs/dbraw/zinc/62/02/66/597620266.db2.gz	ROUZBNPHBLEDPN-SNVBAGLBSA-N	-1	0	310.228	0.555	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccnc(-n2cccn2)c1	ZINC000819848530	597633757	/nfs/dbraw/zinc/63/37/57/597633757.db2.gz	SVOACCDTMKHCGQ-HNNXBMFYSA-N	-1	0	313.317	0.888	20	30		DCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nnc2n1CCCC2	ZINC000820113753	597657156	/nfs/dbraw/zinc/65/71/56/597657156.db2.gz	GDJBXICMQOTGCZ-LKFCYVNXSA-N	-1	0	305.338	0.796	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1ccc(C#N)s1)[C@@H](C)C(=O)[O-]	ZINC000819758216	597697075	/nfs/dbraw/zinc/69/70/75/597697075.db2.gz	QLGSNSVVNCATGG-QMMMGPOBSA-N	-1	0	309.347	0.671	20	30		DCEDRM
COc1c(NC(=O)[C@](C)(C#N)CC(=O)[O-])cccc1C(N)=O	ZINC000820755052	597722561	/nfs/dbraw/zinc/72/25/61/597722561.db2.gz	UAOJZYHBPPPVFP-AWEZNQCLSA-N	-1	0	305.290	0.737	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CN(c2ccccc2)C1=O	ZINC000819833682	597725829	/nfs/dbraw/zinc/72/58/29/597725829.db2.gz	HTEAXPUOSYFGPF-ABAIWWIYSA-N	-1	0	301.302	0.523	20	30		DCEDRM
O=C([O-])CNC(=O)CON=CC(=O)Nc1ccccc1Cl	ZINC000821532922	597761116	/nfs/dbraw/zinc/76/11/16/597761116.db2.gz	USJCWPWXCUCMSM-UHFFFAOYSA-N	-1	0	313.697	0.482	20	30		DCEDRM
CN1C(=O)c2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2C1=O	ZINC000820615413	598222454	/nfs/dbraw/zinc/22/24/54/598222454.db2.gz	RXZDUSWSLFZXSY-OAHLLOKOSA-N	-1	0	315.285	0.855	20	30		DCEDRM
CC(C)[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])N1CCOCC1	ZINC000819962169	598223224	/nfs/dbraw/zinc/22/32/24/598223224.db2.gz	KKZFSOLAXCYRAV-DOMZBBRYSA-N	-1	0	311.382	0.464	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCC(N)=O)cc1	ZINC000819856127	598223430	/nfs/dbraw/zinc/22/34/30/598223430.db2.gz	GPSQRBXVTZPTCM-AWEZNQCLSA-N	-1	0	305.290	0.494	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(=O)Nc1cccc(F)c1	ZINC000819835785	598225739	/nfs/dbraw/zinc/22/57/39/598225739.db2.gz	XXDNCZXYCMAUMJ-AWEZNQCLSA-N	-1	0	307.281	0.885	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(=O)N1CCc2ccccc21	ZINC000819835762	598226343	/nfs/dbraw/zinc/22/63/43/598226343.db2.gz	XPFMLSGVYYQACO-INIZCTEOSA-N	-1	0	315.329	0.696	20	30		DCEDRM
Cn1cc(C[C@@H]2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)cn1	ZINC000821288105	598229402	/nfs/dbraw/zinc/22/94/02/598229402.db2.gz	ZLRPUDXIYOMJQB-NHYWBVRUSA-N	-1	0	304.350	0.816	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2COc3ccccc32)[n-]c1-c1nn[nH]n1	ZINC000822815475	599314892	/nfs/dbraw/zinc/31/48/92/599314892.db2.gz	REVDLZBFTYVJIK-MRVPVSSYSA-N	-1	0	322.288	0.576	20	30		DCEDRM
N#Cc1ccc(CN2CCN(C(=O)CCNC(=O)[O-])CC2)cc1	ZINC000739117227	599741839	/nfs/dbraw/zinc/74/18/39/599741839.db2.gz	KGFOZQVSBKEISO-UHFFFAOYSA-N	-1	0	316.361	0.860	20	30		DCEDRM
C#CCN1CCC[C@H]1C(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC000736079137	599950783	/nfs/dbraw/zinc/95/07/83/599950783.db2.gz	ICOXYPUWMPXWCP-HNNXBMFYSA-N	-1	0	316.357	0.977	20	30		DCEDRM
C#CCNC(=O)CN1CCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1	ZINC000736076433	599964447	/nfs/dbraw/zinc/96/44/47/599964447.db2.gz	PAPHQDUCQGNCBR-LBPRGKRZSA-N	-1	0	319.361	0.406	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CCO1	ZINC000316065404	599994733	/nfs/dbraw/zinc/99/47/33/599994733.db2.gz	HMCGPKPZYZRJTA-GFCCVEGCSA-N	-1	0	305.290	0.906	20	30		DCEDRM
N#CCOc1cccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC000738426157	600008758	/nfs/dbraw/zinc/00/87/58/600008758.db2.gz	NGPMBXIZNFBQIT-LBPRGKRZSA-N	-1	0	305.290	0.906	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000738501323	600053517	/nfs/dbraw/zinc/05/35/17/600053517.db2.gz	KDJCDJGEXJQLCV-GFCCVEGCSA-N	-1	0	317.301	0.117	20	30		DCEDRM
N#Cc1ccc(CNC(=O)COC(=O)CCCNC(=O)[O-])cc1	ZINC000739118751	600199196	/nfs/dbraw/zinc/19/91/96/600199196.db2.gz	WIQZOOGAJLCUBR-UHFFFAOYSA-N	-1	0	319.317	0.765	20	30		DCEDRM
CCS(=O)(=O)c1ccc(CC(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000737227123	600407299	/nfs/dbraw/zinc/40/72/99/600407299.db2.gz	XBPLRULNBDEGBL-UHFFFAOYSA-N	-1	0	324.358	0.459	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)NC(=O)CS2	ZINC000739088241	600410135	/nfs/dbraw/zinc/41/01/35/600410135.db2.gz	SUDWVHXGOIRICI-UHFFFAOYSA-N	-1	0	305.315	0.781	20	30		DCEDRM
CC(C)[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000736361395	600441416	/nfs/dbraw/zinc/44/14/16/600441416.db2.gz	SGERURXDABTHCD-ZDUSSCGKSA-N	-1	0	303.318	0.513	20	30		DCEDRM
COCCN(CCC(=O)[O-])CC(=O)Nc1cccc(C#N)c1	ZINC000737794304	600640392	/nfs/dbraw/zinc/64/03/92/600640392.db2.gz	LSCQYWADPZAYIH-UHFFFAOYSA-N	-1	0	305.334	0.920	20	30		DCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826387889	607461034	/nfs/dbraw/zinc/46/10/34/607461034.db2.gz	XHBMMDNSDKTZMV-UHFFFAOYSA-N	-1	0	316.306	0.262	20	30		DCEDRM
COC(=O)CN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000737602982	600764402	/nfs/dbraw/zinc/76/44/02/600764402.db2.gz	CYCSTOAQOLQLQL-UHFFFAOYSA-N	-1	0	312.303	0.072	20	30		DCEDRM
CC(C)[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000817933236	600880372	/nfs/dbraw/zinc/88/03/72/600880372.db2.gz	GQAVPSFLURFIFX-LPJIALBHSA-N	-1	0	309.322	0.128	20	30		DCEDRM
CN(C)C(=O)c1ccc(NC(=O)CN(CC#N)CC(=O)[O-])cc1	ZINC000830574763	601003903	/nfs/dbraw/zinc/00/39/03/601003903.db2.gz	AJMQTVZYMADCBZ-UHFFFAOYSA-N	-1	0	318.333	0.237	20	30		DCEDRM
CN(CCC(=O)[O-])S(=O)(=O)N(C)Cc1cccc(C#N)c1	ZINC000088769421	601254125	/nfs/dbraw/zinc/25/41/25/601254125.db2.gz	ODXDWJDUEZZFMV-UHFFFAOYSA-N	-1	0	311.363	0.641	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)NC1(CC(=O)[O-])CCCCC1	ZINC000830727084	601266322	/nfs/dbraw/zinc/26/63/22/601266322.db2.gz	JRCSLYZNGXQHIN-UHFFFAOYSA-N	-1	0	303.384	0.844	20	30		DCEDRM
C/C(=C/CN1CCN(c2nccnc2C#N)C[C@@H]1C)C(=O)[O-]	ZINC000825746997	601664394	/nfs/dbraw/zinc/66/43/94/601664394.db2.gz	NSBFHSBYCNKYBU-LCKPPEIMSA-N	-1	0	301.350	0.890	20	30		DCEDRM
C#CCOc1ccc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])cc1	ZINC000825632007	601764611	/nfs/dbraw/zinc/76/46/11/601764611.db2.gz	QJZXEZPINTYXQN-UHFFFAOYSA-N	-1	0	318.329	0.864	20	30		DCEDRM
CNC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000831000924	601843949	/nfs/dbraw/zinc/84/39/49/601843949.db2.gz	QDQHTUSRLXDIIU-CYBMUJFWSA-N	-1	0	302.334	0.641	20	30		DCEDRM
C[C@@H](CC(=O)[O-])C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000827263446	602085539	/nfs/dbraw/zinc/08/55/39/602085539.db2.gz	QOLGDVGYPGFWND-NSHDSACASA-N	-1	0	302.334	0.713	20	30		DCEDRM
O=C([O-])Cn1ccc(NC(=O)C#Cc2ccc3c(c2)OCO3)n1	ZINC000833274016	602352199	/nfs/dbraw/zinc/35/21/99/602352199.db2.gz	MGDYIRHGNHPORA-UHFFFAOYSA-N	-1	0	313.269	0.687	20	30		DCEDRM
O=C([O-])[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCO1	ZINC000819299725	602352381	/nfs/dbraw/zinc/35/23/81/602352381.db2.gz	JBMPHHIFSIUUMK-ZDUSSCGKSA-N	-1	0	303.270	0.079	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)[O-])CC1	ZINC000738430706	602455873	/nfs/dbraw/zinc/45/58/73/602455873.db2.gz	NJAQSUNSCYQYDK-UHFFFAOYSA-N	-1	0	310.335	0.006	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)NC2CCN(C(=O)[O-])CC2)CCN1C1CC1	ZINC000738421599	602690408	/nfs/dbraw/zinc/69/04/08/602690408.db2.gz	GHDKNEBFRQGFFU-CYBMUJFWSA-N	-1	0	321.381	0.511	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[O-])CC2)c(F)c1	ZINC000738435242	603082920	/nfs/dbraw/zinc/08/29/20/603082920.db2.gz	WGZGFNBXNNKGOY-UHFFFAOYSA-N	-1	0	313.310	0.682	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)NCCCNC(=O)[O-]	ZINC000831114531	603113758	/nfs/dbraw/zinc/11/37/58/603113758.db2.gz	OJMUGCGVYYXVDP-UHFFFAOYSA-N	-1	0	301.299	0.633	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000828273305	603128171	/nfs/dbraw/zinc/12/81/71/603128171.db2.gz	LJXROQIUCKCKKG-ZJUUUORDSA-N	-1	0	304.372	0.103	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])cn1	ZINC000831142438	603130486	/nfs/dbraw/zinc/13/04/86/603130486.db2.gz	YRKMIJYVTYPUBN-BXKDBHETSA-N	-1	0	324.362	0.668	20	30		DCEDRM
Cc1nc(NC(=O)CN(C)C(=O)[O-])n(-c2ccc(C#N)cc2)n1	ZINC000738865918	603194010	/nfs/dbraw/zinc/19/40/10/603194010.db2.gz	KEDFVMNYKHTRRO-UHFFFAOYSA-N	-1	0	314.305	0.418	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)nc1	ZINC000831137226	603465904	/nfs/dbraw/zinc/46/59/04/603465904.db2.gz	TXSFEAJZANIENJ-RYUDHWBXSA-N	-1	0	317.349	0.918	20	30		DCEDRM
Cc1nn(C)c(C)c1CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830846716	603588994	/nfs/dbraw/zinc/58/89/94/603588994.db2.gz	QZCCGKHTSUTPKX-LLVKDONJSA-N	-1	0	305.338	0.294	20	30		DCEDRM
C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825465296	603599116	/nfs/dbraw/zinc/59/91/16/603599116.db2.gz	JKADTXJPDCODHM-ONGXEEELSA-N	-1	0	320.305	0.112	20	30		DCEDRM
CN(C(=O)[O-])[C@H]1CCN(C(=O)NC2CCN(CC#N)CC2)C1	ZINC000827846250	603651786	/nfs/dbraw/zinc/65/17/86/603651786.db2.gz	HMNSHVSHHCZVID-LBPRGKRZSA-N	-1	0	309.370	0.368	20	30		DCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)NCCCNC(=O)[O-]	ZINC000831117939	603672679	/nfs/dbraw/zinc/67/26/79/603672679.db2.gz	IPXCMLDKPGWGAI-UHFFFAOYSA-N	-1	0	308.269	0.410	20	30		DCEDRM
C#CCCN1CCN(C(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1	ZINC000823444850	603720452	/nfs/dbraw/zinc/72/04/52/603720452.db2.gz	QSSBKIXOHSMONW-OLZOCXBDSA-N	-1	0	323.393	0.657	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1Cc1nnnn1-c1ccccc1	ZINC000831092225	603728650	/nfs/dbraw/zinc/72/86/50/603728650.db2.gz	QYPBTBOELANDCX-LBPRGKRZSA-N	-1	0	313.321	0.350	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1Cc1nnnn1-c1ccccc1	ZINC000831092222	603728676	/nfs/dbraw/zinc/72/86/76/603728676.db2.gz	QYPBTBOELANDCX-GFCCVEGCSA-N	-1	0	313.321	0.350	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000831102442	603743176	/nfs/dbraw/zinc/74/31/76/603743176.db2.gz	JUVPOCWTNMNZSX-WCQYABFASA-N	-1	0	319.317	0.318	20	30		DCEDRM
C#CCN(C(=O)CN1CCN(C(=O)[O-])CC1=O)C1CCCC1	ZINC000823450486	603755526	/nfs/dbraw/zinc/75/55/26/603755526.db2.gz	CNJSOQSBUULDHZ-UHFFFAOYSA-N	-1	0	307.350	0.213	20	30		DCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c(F)c1	ZINC000831126774	603759184	/nfs/dbraw/zinc/75/91/84/603759184.db2.gz	REBQCCUERGRENE-PWSUYJOCSA-N	-1	0	307.281	0.427	20	30		DCEDRM
CN(C(=O)[O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000827829721	603773873	/nfs/dbraw/zinc/77/38/73/603773873.db2.gz	LBVRAJNPDPGIQP-GFCCVEGCSA-N	-1	0	316.317	0.707	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[O-]	ZINC000823455795	603799413	/nfs/dbraw/zinc/79/94/13/603799413.db2.gz	FVOOPKNFBJDQCR-YPMHNXCESA-N	-1	0	318.329	0.546	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)C[C@@H]1CCCN1C(=O)[O-])C1CC1	ZINC000823648676	603936083	/nfs/dbraw/zinc/93/60/83/603936083.db2.gz	VEFWKULSCCYSHW-NHYWBVRUSA-N	-1	0	323.349	0.871	20	30		DCEDRM
C[C@H](CC(=O)OCC(=O)NCc1cccc(C#N)c1)NC(=O)[O-]	ZINC000824727966	603971207	/nfs/dbraw/zinc/97/12/07/603971207.db2.gz	KESZSAYUBGEFFA-SNVBAGLBSA-N	-1	0	319.317	0.764	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1n[nH]c2c1CCCC2	ZINC000831086254	604068127	/nfs/dbraw/zinc/06/81/27/604068127.db2.gz	COKYVTQSZWGDAX-VIFPVBQESA-N	-1	0	303.322	0.616	20	30		DCEDRM
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000831018722	604069055	/nfs/dbraw/zinc/06/90/55/604069055.db2.gz	OTGGUNKJKJRWCE-SECBINFHSA-N	-1	0	307.266	0.261	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cn1ncc2ccccc21	ZINC000831087711	604072174	/nfs/dbraw/zinc/07/21/74/604072174.db2.gz	QCBSKTIFHVYUQG-LBPRGKRZSA-N	-1	0	313.317	0.751	20	30		DCEDRM
CC(C)(C)N1C[C@@H](C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)CC1=O	ZINC000823772552	604072243	/nfs/dbraw/zinc/07/22/43/604072243.db2.gz	NCSLKSZEBIAEAW-QWRGUYRKSA-N	-1	0	322.365	0.348	20	30		DCEDRM
C[C@@H](Oc1cccnc1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825618467	604082556	/nfs/dbraw/zinc/08/25/56/604082556.db2.gz	WRLPPOPCQZFXKM-MNOVXSKESA-N	-1	0	304.306	0.563	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCn1cc(Cl)cn1	ZINC000831081917	604088559	/nfs/dbraw/zinc/08/85/59/604088559.db2.gz	DIWJMABLQNATOZ-JTQLQIEISA-N	-1	0	311.729	0.641	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCCn1ccccc1=O	ZINC000831082347	604088745	/nfs/dbraw/zinc/08/87/45/604088745.db2.gz	LDKHLDGNQFTQDS-LBPRGKRZSA-N	-1	0	318.333	0.343	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C(C)[C@H]1CCCCN1C(=O)[O-]	ZINC000828541874	604088953	/nfs/dbraw/zinc/08/89/53/604088953.db2.gz	HJIUQIZXAIPEJA-SECBINFHSA-N	-1	0	315.399	0.105	20	30		DCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)CC1CN(C(=O)[O-])C1	ZINC000824058284	604092780	/nfs/dbraw/zinc/09/27/80/604092780.db2.gz	XQPWPDQDKVFTBF-AWEZNQCLSA-N	-1	0	311.338	0.584	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N(C)CCCNC(=O)[O-])c1C#N	ZINC000830512239	604139789	/nfs/dbraw/zinc/13/97/89/604139789.db2.gz	VWBFKRLUNCAWCI-UHFFFAOYSA-N	-1	0	318.333	0.921	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CCN1C(=O)[O-]	ZINC000825962114	604152306	/nfs/dbraw/zinc/15/23/06/604152306.db2.gz	OFFNQWVYPGVTFG-JTQLQIEISA-N	-1	0	316.317	0.707	20	30		DCEDRM
COc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c(O)c1	ZINC000829275884	604154241	/nfs/dbraw/zinc/15/42/41/604154241.db2.gz	DXLPUZJHVMUHIA-VIFPVBQESA-N	-1	0	305.290	0.729	20	30		DCEDRM
CN1CCN(C(=O)C#Cc2ccccc2)[C@H](CNC(=O)[O-])C1	ZINC000828486651	604399187	/nfs/dbraw/zinc/39/91/87/604399187.db2.gz	DZAFBTFIKMCILW-CQSZACIVSA-N	-1	0	301.346	0.448	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(C#N)cn2C)CCO1	ZINC000825328898	604447983	/nfs/dbraw/zinc/44/79/83/604447983.db2.gz	XOHLYFRZOUIAAS-SKDRFNHKSA-N	-1	0	306.322	0.394	20	30		DCEDRM
CCN(CCC#N)C(=O)CN1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000827111478	604606386	/nfs/dbraw/zinc/60/63/86/604606386.db2.gz	OQYWZVMYOOQXOV-NEPJUHHUSA-N	-1	0	312.370	0.105	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCO1	ZINC000825346511	604617365	/nfs/dbraw/zinc/61/73/65/604617365.db2.gz	YFBWXSSOLCYACS-WBIUFABUSA-N	-1	0	324.381	0.152	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])cc1	ZINC000833073230	604652504	/nfs/dbraw/zinc/65/25/04/604652504.db2.gz	JMQIUWKHKHOBDS-LBPRGKRZSA-N	-1	0	301.302	0.962	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)Cc2cccc(C#N)c2)CCO1	ZINC000825308415	604669452	/nfs/dbraw/zinc/66/94/52/604669452.db2.gz	FUMOEYIQQJKLLB-SMDDNHRTSA-N	-1	0	317.345	0.984	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)CCO1	ZINC000825309284	604708684	/nfs/dbraw/zinc/70/86/84/604708684.db2.gz	JQZVDAYFYFHOJH-BXUZGUMPSA-N	-1	0	317.345	0.984	20	30		DCEDRM
C=CCNC(=O)CN1CCN(c2cccc(C(=O)[O-])n2)CC1	ZINC000833376768	604709292	/nfs/dbraw/zinc/70/92/92/604709292.db2.gz	BGFFHDASXKWJPI-UHFFFAOYSA-N	-1	0	304.350	0.204	20	30		DCEDRM
N#Cc1ccc(NC(=O)COC(=O)C2(NC(=O)[O-])CC2)cc1	ZINC000831137439	604763642	/nfs/dbraw/zinc/76/36/42/604763642.db2.gz	YSGPPJBMMGBIOH-UHFFFAOYSA-N	-1	0	303.274	0.840	20	30		DCEDRM
CC(=NNC(=S)NCC1CCC1)c1cn(CC(=O)[O-])nn1	ZINC000825804703	604784996	/nfs/dbraw/zinc/78/49/96/604784996.db2.gz	VQQWXGIQJIGOJJ-UHFFFAOYSA-N	-1	0	310.383	0.351	20	30		DCEDRM
COc1ccc(CNN=C(C)c2cn(CC(=O)[O-])nn2)cc1	ZINC000832353299	604785850	/nfs/dbraw/zinc/78/58/50/604785850.db2.gz	YLFSFBXDSRPVTK-UHFFFAOYSA-N	-1	0	303.322	0.885	20	30		DCEDRM
C[C@H](NC(=O)[O-])C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000825177815	604978177	/nfs/dbraw/zinc/97/81/77/604978177.db2.gz	OMVFUNXHZCNEOC-ZJUUUORDSA-N	-1	0	318.337	0.041	20	30		DCEDRM
C#CCOc1ccc(CNCc2cn(CC(=O)[O-])nn2)cc1	ZINC000833367132	604991652	/nfs/dbraw/zinc/99/16/52/604991652.db2.gz	PUINHTLEXWTLNJ-UHFFFAOYSA-N	-1	0	300.318	0.665	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC000833370956	605059416	/nfs/dbraw/zinc/05/94/16/605059416.db2.gz	ORRVBTKZRUODDO-LLVKDONJSA-N	-1	0	313.375	0.989	20	30		DCEDRM
N#Cc1cccnc1NCCOC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000831156807	605073800	/nfs/dbraw/zinc/07/38/00/605073800.db2.gz	LETUABFUVWCPSK-NSHDSACASA-N	-1	0	320.305	0.287	20	30		DCEDRM
C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000833377047	605229456	/nfs/dbraw/zinc/22/94/56/605229456.db2.gz	LBIAUIQXIVQVQC-UHFFFAOYSA-N	-1	0	320.305	0.133	20	30		DCEDRM
CN(CCCNC(=O)C(=O)Nc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000828284528	605358959	/nfs/dbraw/zinc/35/89/59/605358959.db2.gz	BSFNIWATGUFBLQ-UHFFFAOYSA-N	-1	0	322.296	0.752	20	30		DCEDRM
N#CCN1CCC[C@H](CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1	ZINC000831102354	605361113	/nfs/dbraw/zinc/36/11/13/605361113.db2.gz	HPMDBQKBGKBJBP-CHWSQXEVSA-N	-1	0	324.381	0.107	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1	ZINC000831102356	605361510	/nfs/dbraw/zinc/36/15/10/605361510.db2.gz	HPMDBQKBGKBJBP-QWHCGFSZSA-N	-1	0	324.381	0.107	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)c(F)c1	ZINC000831131886	605362160	/nfs/dbraw/zinc/36/21/60/605362160.db2.gz	FDVNGEHGLRURGP-VIFPVBQESA-N	-1	0	320.280	0.504	20	30		DCEDRM
C#CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833362570	605396299	/nfs/dbraw/zinc/39/62/99/605396299.db2.gz	YVPSPZNKFQAFIC-UHFFFAOYSA-N	-1	0	312.303	0.985	20	30		DCEDRM
COCCN(CCNC(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000833885467	605402940	/nfs/dbraw/zinc/40/29/40/605402940.db2.gz	GKZBTEYLWWTOKL-UHFFFAOYSA-N	-1	0	320.349	0.984	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000833977041	605427598	/nfs/dbraw/zinc/42/75/98/605427598.db2.gz	UOKOOOVWUWAEBR-LLVKDONJSA-N	-1	0	309.347	0.836	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN(C)c1ccc(OCC(=O)[O-])cc1	ZINC000833376861	605440669	/nfs/dbraw/zinc/44/06/69/605440669.db2.gz	SJBDVHFLVANGJH-UHFFFAOYSA-N	-1	0	321.333	0.598	20	30		DCEDRM
CC(C[C@H]1CCCN1C(=O)[O-])N=Nc1ccc(C(N)=O)nn1	ZINC000824759759	605466201	/nfs/dbraw/zinc/46/62/01/605466201.db2.gz	PFVZDPGVEBQBFB-SECBINFHSA-N	-1	0	306.326	0.896	20	30		DCEDRM
N#CCn1cc(NC(=O)C[C@H]2CSCCN2C(=O)[O-])cn1	ZINC000831109219	605631012	/nfs/dbraw/zinc/63/10/12/605631012.db2.gz	CYOPAYWCNLBLOB-JTQLQIEISA-N	-1	0	309.351	0.831	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)CSCC#N)[C@H](C(=O)[O-])C1	ZINC000833707109	605650756	/nfs/dbraw/zinc/65/07/56/605650756.db2.gz	FDMDQPRHISDSQI-BDAKNGLRSA-N	-1	0	300.336	0.108	20	30		DCEDRM
Cc1onc(CC(=O)N2CCC[C@H]2CN(C)C(=O)[O-])c1C#N	ZINC000833935354	605693345	/nfs/dbraw/zinc/69/33/45/605693345.db2.gz	GENVKKRTZSQBOF-JTQLQIEISA-N	-1	0	306.322	0.998	20	30		DCEDRM
O=C([O-])N[C@@H]1CC(=NN[C@@H]2CCS(=O)(=O)C2)c2ccccc21	ZINC000834156627	605739046	/nfs/dbraw/zinc/73/90/46/605739046.db2.gz	BGUJJHDLFDYBIL-BXKDBHETSA-N	-1	0	323.374	0.880	20	30		DCEDRM
N#CC1(COC(=O)CN2CCN(C(=O)[O-])CC2=O)CCCCC1	ZINC000833964963	605779654	/nfs/dbraw/zinc/77/96/54/605779654.db2.gz	WCLRNVIOFDBNCW-UHFFFAOYSA-N	-1	0	323.349	0.826	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)[O-])C2CC2)cn1	ZINC000833975956	605805154	/nfs/dbraw/zinc/80/51/54/605805154.db2.gz	HSJJJGPPZHCONZ-NSHDSACASA-N	-1	0	310.335	0.278	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])cc1	ZINC000833972511	605837930	/nfs/dbraw/zinc/83/79/30/605837930.db2.gz	DMMJTWZMUCDDFH-STQMWFEESA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])cc1	ZINC000833973114	605839739	/nfs/dbraw/zinc/83/97/39/605839739.db2.gz	KIHFAXRDSXQJHC-OLZOCXBDSA-N	-1	0	303.318	0.850	20	30		DCEDRM
N#Cc1ccc(NCCNC(=O)CN(C(=O)[O-])C2CC2)nc1	ZINC000833974360	605965499	/nfs/dbraw/zinc/96/54/99/605965499.db2.gz	HEXLHDRGVMOBQR-UHFFFAOYSA-N	-1	0	303.322	0.624	20	30		DCEDRM
N#Cc1ccc([C@H](OC(=O)CN(C(=O)[O-])C2CC2)C(N)=O)cc1	ZINC000833972641	605980556	/nfs/dbraw/zinc/98/05/56/605980556.db2.gz	FXBTZJWTIDKWTK-ZDUSSCGKSA-N	-1	0	317.301	0.770	20	30		DCEDRM
Cn1ncc2c1ncn(N=C[C@H]1CCCN(C(=O)[O-])C1)c2=O	ZINC000833962197	606051159	/nfs/dbraw/zinc/05/11/59/606051159.db2.gz	PPQJEOGUNXRLMF-SECBINFHSA-N	-1	0	304.310	0.354	20	30		DCEDRM
N#CCN1CCN(C(=O)CCC2CCN(C(=O)[O-])CC2)CC1	ZINC000833966424	606054210	/nfs/dbraw/zinc/05/42/10/606054210.db2.gz	HFDXFXALWFFMHI-UHFFFAOYSA-N	-1	0	308.382	0.824	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CSCCS2)[n-]c1-c1nn[nH]n1	ZINC000822814254	606197258	/nfs/dbraw/zinc/19/72/58/606197258.db2.gz	DGBUFGJYYABPQL-ZCFIWIBFSA-N	-1	0	322.379	0.249	20	30		DCEDRM
CC(C)n1nccc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000820214461	607145557	/nfs/dbraw/zinc/14/55/57/607145557.db2.gz	CZOCYBPGPYBFMW-UHFFFAOYSA-N	-1	0	312.297	0.491	20	30		DCEDRM
CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cn(C)nn2)o1	ZINC000824352897	607887291	/nfs/dbraw/zinc/88/72/91/607887291.db2.gz	QSWWKMVGBDDZHK-UHFFFAOYSA-N	-1	0	302.302	0.553	20	30		DCEDRM
CNc1nc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cs1	ZINC000826090171	608078132	/nfs/dbraw/zinc/07/81/32/608078132.db2.gz	DALOTLXAPDQBIY-UHFFFAOYSA-N	-1	0	316.310	0.212	20	30		DCEDRM
C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)c1	ZINC000979274272	660702051	/nfs/dbraw/zinc/70/20/51/660702051.db2.gz	GNCAJOAYOGCDFK-BJHJDKERSA-N	-1	0	324.344	0.119	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc(OC)c(OC)c1OC)C(=O)[O-]	ZINC000317013771	660987583	/nfs/dbraw/zinc/98/75/83/660987583.db2.gz	PXQZNKDYIMSPIH-SNVBAGLBSA-N	-1	0	307.302	0.919	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccnn1CC1CCC1	ZINC000926488187	657500403	/nfs/dbraw/zinc/50/04/03/657500403.db2.gz	WKMJJOCDSBKRAH-UHFFFAOYSA-N	-1	0	311.363	0.392	20	30		DCEDRM
O=C(NCC#C[C@@H]1CCCCO1)c1c[n-]n2c1nccc2=O	ZINC000891115558	657777158	/nfs/dbraw/zinc/77/71/58/657777158.db2.gz	FCVXSHDZAWKOTI-NSHDSACASA-N	-1	0	300.318	0.325	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CC[C@@H](N(C)CC#N)C2)cc1=O	ZINC000971881682	657960673	/nfs/dbraw/zinc/96/06/73/657960673.db2.gz	NCXNUBUODSYRSY-CQSZACIVSA-N	-1	0	319.409	0.431	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(CN2CCOCC2)o1	ZINC000892498150	658731524	/nfs/dbraw/zinc/73/15/24/658731524.db2.gz	FGRLLNAXHDTQAS-CYBMUJFWSA-N	-1	0	319.361	0.959	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000783126107	659076551	/nfs/dbraw/zinc/07/65/51/659076551.db2.gz	MPKZTAZCRLKORJ-YPMHNXCESA-N	-1	0	305.396	0.698	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000940048043	665691676	/nfs/dbraw/zinc/69/16/76/665691676.db2.gz	WMDDFKPSXHYZDA-SNVBAGLBSA-N	-1	0	306.366	0.967	20	30		DCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)CC[C@@H]1CCCO1	ZINC000893710338	661355413	/nfs/dbraw/zinc/35/54/13/661355413.db2.gz	FZZJAGPZTMZRQQ-LBPRGKRZSA-N	-1	0	305.396	0.984	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000726350675	661656646	/nfs/dbraw/zinc/65/66/46/661656646.db2.gz	WHLFDLTVFVWWJM-NWDGAFQWSA-N	-1	0	305.396	0.983	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000726350677	661656808	/nfs/dbraw/zinc/65/68/08/661656808.db2.gz	WHLFDLTVFVWWJM-RYUDHWBXSA-N	-1	0	305.396	0.983	20	30		DCEDRM
CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cnn(C)c1)C(C)C	ZINC000048520022	661925979	/nfs/dbraw/zinc/92/59/79/661925979.db2.gz	RETPMCKUAKSUIZ-SNVBAGLBSA-N	-1	0	302.356	0.226	20	30		DCEDRM
COC(=O)c1cn[n-]c1S(=O)(=O)OCC(F)(F)C(F)F	ZINC000881734563	662078230	/nfs/dbraw/zinc/07/82/30/662078230.db2.gz	NSDAICXBVMCEQK-UHFFFAOYSA-N	-1	0	320.220	0.802	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CCC([N@@H+](C)Cc2nc(=O)n(C)[nH]2)CC1	ZINC000985572917	662483288	/nfs/dbraw/zinc/48/32/88/662483288.db2.gz	BQCFDGJDTOQMPI-UHFFFAOYSA-N	-1	0	321.425	0.743	20	30		DCEDRM
N#CCCn1ccc(NC(=O)N2CCC(c3nnn[n-]3)CC2)n1	ZINC000737693552	662906443	/nfs/dbraw/zinc/90/64/43/662906443.db2.gz	GDPLUUNHQHICOU-UHFFFAOYSA-N	-1	0	315.341	0.721	20	30		DCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1	ZINC000729893508	662911929	/nfs/dbraw/zinc/91/19/29/662911929.db2.gz	GLQSIJISYZJSRW-UHFFFAOYSA-N	-1	0	321.358	0.880	20	30		DCEDRM
N#CCN1CCCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC000989473503	662951613	/nfs/dbraw/zinc/95/16/13/662951613.db2.gz	XXHOZIPRJGRCIG-UHFFFAOYSA-N	-1	0	301.306	0.600	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NC1(C(=O)[O-])CCCCC1	ZINC000841776254	663017041	/nfs/dbraw/zinc/01/70/41/663017041.db2.gz	GQFVQJSQESKFGF-SNVBAGLBSA-N	-1	0	303.384	0.842	20	30		DCEDRM
CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000042280546	663191081	/nfs/dbraw/zinc/19/10/81/663191081.db2.gz	MDTMCIJBOHAMOF-UHFFFAOYSA-N	-1	0	306.365	0.201	20	30		DCEDRM
CC1CCN(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)CC1	ZINC000899930924	663201716	/nfs/dbraw/zinc/20/17/16/663201716.db2.gz	UMCSHMOIDHZNDY-ZDUSSCGKSA-N	-1	0	314.407	0.763	20	30		DCEDRM
Cc1nc(S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)cn1C	ZINC000899929865	663201844	/nfs/dbraw/zinc/20/18/44/663201844.db2.gz	KJILHFCNYVVSNC-LLVKDONJSA-N	-1	0	311.363	0.217	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1	ZINC000899938712	663202842	/nfs/dbraw/zinc/20/28/42/663202842.db2.gz	AXXWZFGBSWJJKD-ITGUQSILSA-N	-1	0	306.343	0.650	20	30		DCEDRM
C#CCN(CC#C)C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000900905754	663292813	/nfs/dbraw/zinc/29/28/13/663292813.db2.gz	BWOHANQXCHKSCH-UHFFFAOYSA-N	-1	0	309.329	0.281	20	30		DCEDRM
Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3c(C#N)cnn3C)C2)cn1	ZINC000900966427	663298298	/nfs/dbraw/zinc/29/82/98/663298298.db2.gz	USAJZESSNOXYOO-MNOVXSKESA-N	-1	0	314.349	0.720	20	30		DCEDRM
C=CCCCN(CC)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000903554568	663465830	/nfs/dbraw/zinc/46/58/30/663465830.db2.gz	PDHCASGGJXXKLZ-UHFFFAOYSA-N	-1	0	301.368	0.945	20	30		DCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cn(C)c(Cl)n2)C1	ZINC000906006591	663595261	/nfs/dbraw/zinc/59/52/61/663595261.db2.gz	BHISHGDIOBRJER-UHFFFAOYSA-N	-1	0	319.770	0.725	20	30		DCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)C1	ZINC000907129906	663669813	/nfs/dbraw/zinc/66/98/13/663669813.db2.gz	ZWSOZZTXZHXXHT-UHFFFAOYSA-N	-1	0	309.343	0.370	20	30		DCEDRM
C#Cc1ccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)cn1	ZINC000907477914	663697819	/nfs/dbraw/zinc/69/78/19/663697819.db2.gz	VVIJUDVDPPRKJB-NSHDSACASA-N	-1	0	300.347	0.506	20	30		DCEDRM
C#C[C@H](NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1)C(C)C	ZINC000907968496	663726104	/nfs/dbraw/zinc/72/61/04/663726104.db2.gz	YELYDMIRGMXLCI-LBPRGKRZSA-N	-1	0	313.361	0.960	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCc2nc(C)ncc2C1	ZINC000908771828	663768975	/nfs/dbraw/zinc/76/89/75/663768975.db2.gz	UBTZNBMMGSEUEK-LBPRGKRZSA-N	-1	0	304.350	0.925	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)NCCOC[C@H]1CCOC1)C(=O)[O-]	ZINC000908947696	663775981	/nfs/dbraw/zinc/77/59/81/663775981.db2.gz	FXYIGQIJCQOYJJ-WDEREUQCSA-N	-1	0	320.773	0.935	20	30		DCEDRM
C#CCSCCNC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000909051715	663779860	/nfs/dbraw/zinc/77/98/60/663779860.db2.gz	FKRRSTKMDSJUQI-VXGBXAGGSA-N	-1	0	314.407	0.922	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cn1ccc(C(F)F)n1)C(=O)[O-]	ZINC000909765850	663799943	/nfs/dbraw/zinc/79/99/43/663799943.db2.gz	GEFIYSZRFBKALU-VIFPVBQESA-N	-1	0	303.265	0.593	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCN(CC(F)F)C1)C(=O)[O-]	ZINC000909770355	663800341	/nfs/dbraw/zinc/80/03/41/663800341.db2.gz	FSGGQUOKHPQQNQ-MNOVXSKESA-N	-1	0	320.336	0.736	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)N1CCSCC1)C(=O)[O-]	ZINC000909769276	663800361	/nfs/dbraw/zinc/80/03/61/663800361.db2.gz	YDDDSFJSDYQVEY-GHMZBOCLSA-N	-1	0	302.396	0.196	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1)C(=O)[O-]	ZINC000909772510	663800761	/nfs/dbraw/zinc/80/07/61/663800761.db2.gz	QYPPQMZLJQFTSB-CPUCHLNUSA-N	-1	0	319.357	0.851	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@](C)(O)Cc1ccccc1)C(=O)[O-]	ZINC000909772911	663800786	/nfs/dbraw/zinc/80/07/86/663800786.db2.gz	XZCCDHPKMVWZKL-XJKSGUPXSA-N	-1	0	307.346	0.752	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCc2cnn(C)c2C1)C(=O)[O-]	ZINC000909772684	663801041	/nfs/dbraw/zinc/80/10/41/663801041.db2.gz	UVTAGOKZQWXWRV-ZYHUDNBSSA-N	-1	0	307.350	0.297	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccco1)C(=O)[O-]	ZINC000910052794	663837525	/nfs/dbraw/zinc/83/75/25/663837525.db2.gz	JAQIJENOQTWJMV-NWDGAFQWSA-N	-1	0	318.329	0.867	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(=O)[O-]	ZINC000910053439	663837543	/nfs/dbraw/zinc/83/75/43/663837543.db2.gz	UILCCTUJYPMMIT-WDEREUQCSA-N	-1	0	304.277	0.844	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc2c(C)nn(C)c2nc1C)C(=O)[O-]	ZINC000910052422	663837546	/nfs/dbraw/zinc/83/75/46/663837546.db2.gz	XDKWKDRERYFYLJ-LBPRGKRZSA-N	-1	0	300.318	0.791	20	30		DCEDRM
C#CC[C@H](NC(=O)CCCNC(=O)c1ccsc1)C(=O)[O-]	ZINC000910053410	663837551	/nfs/dbraw/zinc/83/75/51/663837551.db2.gz	TXZZNJUQBZCRNV-NSHDSACASA-N	-1	0	308.359	0.851	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CSC(c2ccccc2O)=N1)C(=O)[O-]	ZINC000910050083	663840852	/nfs/dbraw/zinc/84/08/52/663840852.db2.gz	FDDBRKCVTHDWMH-GHMZBOCLSA-N	-1	0	318.354	0.847	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)C(=O)[O-]	ZINC000910050965	663841121	/nfs/dbraw/zinc/84/11/21/663841121.db2.gz	BUGKPLHQYUHBFY-NWDGAFQWSA-N	-1	0	308.378	0.864	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(N2CCOCC2)c(F)c1)C(=O)[O-]	ZINC000910050957	663841132	/nfs/dbraw/zinc/84/11/32/663841132.db2.gz	BSBPPMZVCFBSEX-ZDUSSCGKSA-N	-1	0	320.320	0.869	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC000910925645	663956723	/nfs/dbraw/zinc/95/67/23/663956723.db2.gz	MVFUHMKFWLXYDS-WDEREUQCSA-N	-1	0	320.336	0.878	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000911349088	664033736	/nfs/dbraw/zinc/03/37/36/664033736.db2.gz	KXFJORDDEFNGOR-YPMHNXCESA-N	-1	0	305.330	0.790	20	30		DCEDRM
C#CCONC(=O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1	ZINC000912450106	664176865	/nfs/dbraw/zinc/17/68/65/664176865.db2.gz	HBXGMNRYLPVXGC-HNNXBMFYSA-N	-1	0	312.366	0.820	20	30		DCEDRM
C[C@H]1C(=O)N([N-]C(=O)C(F)(F)c2ccccc2C#N)C(=O)N1C	ZINC000912817512	664234322	/nfs/dbraw/zinc/23/43/22/664234322.db2.gz	XBJOGGHEBSMDES-QMMMGPOBSA-N	-1	0	322.271	0.964	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@@H](CCSC)c2nnn[n-]2)cn1	ZINC000912860811	664238600	/nfs/dbraw/zinc/23/86/00/664238600.db2.gz	ZIBDUMOWLWDTIP-NSHDSACASA-N	-1	0	302.363	0.800	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CCCC(F)(F)F	ZINC000156892741	664394253	/nfs/dbraw/zinc/39/42/53/664394253.db2.gz	VJIPXHZEJIAZSM-UHFFFAOYSA-N	-1	0	301.286	0.815	20	30		DCEDRM
CCn1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000172085805	664616015	/nfs/dbraw/zinc/61/60/15/664616015.db2.gz	ZSILCISYWNSBIF-UHFFFAOYSA-N	-1	0	304.331	0.893	20	30		DCEDRM
C#CCOc1cccc(OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC000730696070	664800561	/nfs/dbraw/zinc/80/05/61/664800561.db2.gz	PTXOPJGKULMYNG-UHFFFAOYSA-N	-1	0	324.296	0.689	20	30		DCEDRM
CCOC(=O)N[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C(C)C	ZINC000915067406	664859307	/nfs/dbraw/zinc/85/93/07/664859307.db2.gz	HDMCJMUINRRHRQ-JTQLQIEISA-N	-1	0	304.310	0.862	20	30		DCEDRM
O=C([O-])COc1ccc(C=NN2CCOCC2)cc1[N+](=O)[O-]	ZINC000731559625	664871428	/nfs/dbraw/zinc/87/14/28/664871428.db2.gz	JJALCTUBORVWSI-UHFFFAOYSA-N	-1	0	309.278	0.724	20	30		DCEDRM
CC(C)(C)[C@@H](O)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000732718334	664954152	/nfs/dbraw/zinc/95/41/52/664954152.db2.gz	NZPTXJIXXCNBCH-NSHDSACASA-N	-1	0	304.306	0.757	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc([S@@](C)=O)cc1	ZINC000916893110	665099708	/nfs/dbraw/zinc/09/97/08/665099708.db2.gz	WJJYOXAYFVACRM-XUSGNXJCSA-N	-1	0	308.359	0.509	20	30		DCEDRM
N#CC(C(=O)NCc1ccccc1)=C([O-])c1c[nH]c(C(N)=O)c1	ZINC000917425343	665132380	/nfs/dbraw/zinc/13/23/80/665132380.db2.gz	XYZREIRQIRNSLN-GFCCVEGCSA-N	-1	0	310.313	0.752	20	30		DCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(-n2cnnn2)cc1	ZINC000918709549	665182315	/nfs/dbraw/zinc/18/23/15/665182315.db2.gz	PNHHXZMCXGHJAC-UHFFFAOYSA-N	-1	0	311.309	0.697	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCCN2C(=O)[C@H](C)C#N)c1[O-]	ZINC000944250150	666411238	/nfs/dbraw/zinc/41/12/38/666411238.db2.gz	WHVCWDSSLDLIKF-PSASIEDQSA-N	-1	0	305.338	0.304	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1sc(COC)nc1C	ZINC000788066917	666944238	/nfs/dbraw/zinc/94/42/38/666944238.db2.gz	AUOUOCRKWXFGKN-UHFFFAOYSA-N	-1	0	302.377	0.681	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc2onc(CC)c2c1	ZINC000788067040	666944381	/nfs/dbraw/zinc/94/43/81/666944381.db2.gz	BFDUOBIJOBEKRO-UHFFFAOYSA-N	-1	0	307.331	0.868	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000861715183	666964326	/nfs/dbraw/zinc/96/43/26/666964326.db2.gz	JZVHYNNXUJCOCF-QWRGUYRKSA-N	-1	0	312.391	0.038	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn2ccccc12	ZINC000735208683	666970368	/nfs/dbraw/zinc/97/03/68/666970368.db2.gz	NLEFYABIMWPGBR-NSHDSACASA-N	-1	0	300.318	0.809	20	30		DCEDRM
CC(C)OC[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-]	ZINC000863417704	667141859	/nfs/dbraw/zinc/14/18/59/667141859.db2.gz	YEYJCADTZUGSIH-NSHDSACASA-N	-1	0	318.395	0.868	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)[O-]	ZINC000864184354	667222707	/nfs/dbraw/zinc/22/27/07/667222707.db2.gz	QAIVOLWLHCYBEG-BDAKNGLRSA-N	-1	0	306.771	0.620	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)COCc1ccnn1C)C(=O)[O-]	ZINC000864189752	667222845	/nfs/dbraw/zinc/22/28/45/667222845.db2.gz	UDGOQGJQZWBRRP-SNVBAGLBSA-N	-1	0	301.730	0.649	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC(C)C)nc1	ZINC000864439365	667254501	/nfs/dbraw/zinc/25/45/01/667254501.db2.gz	RGQUQJBDHWSKEL-UHFFFAOYSA-N	-1	0	312.347	0.577	20	30		DCEDRM
C=C(Cl)CN1CCO[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001035336583	667301890	/nfs/dbraw/zinc/30/18/90/667301890.db2.gz	KPHVYVARJWRYHL-JTQLQIEISA-N	-1	0	314.773	0.607	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(C(=O)C#CC3CC3)C2)c1[O-]	ZINC001005921135	667461923	/nfs/dbraw/zinc/46/19/23/667461923.db2.gz	ZGLLGXDRVXQVAY-VIFPVBQESA-N	-1	0	316.361	0.414	20	30		DCEDRM
CCO[C@@H]1COCC[C@H]1CC(=O)N[C@H]1CCCN(O)C1=O	ZINC000868562659	667581139	/nfs/dbraw/zinc/58/11/39/667581139.db2.gz	JVGYOEYUUICGMX-SDDRHHMPSA-N	-1	0	300.355	0.315	20	30		DCEDRM
CCO[C@@H]1COCC[C@@H]1CC(=O)N[C@@H]1CCCN(O)C1=O	ZINC000868562656	667581384	/nfs/dbraw/zinc/58/13/84/667581384.db2.gz	JVGYOEYUUICGMX-IJLUTSLNSA-N	-1	0	300.355	0.315	20	30		DCEDRM
N#Cc1ccc(CCC(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1	ZINC000737712527	667631131	/nfs/dbraw/zinc/63/11/31/667631131.db2.gz	QSBWGFSAYXBLDW-ZDUSSCGKSA-N	-1	0	312.333	0.604	20	30		DCEDRM
C[C@H](NC(=O)C(C)(C)C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122578479	667656638	/nfs/dbraw/zinc/65/66/38/667656638.db2.gz	LGRRTTFTMONMAG-VHSXEESVSA-N	-1	0	304.350	0.862	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCOC[C@@H]1CCCO1	ZINC000122657883	667668588	/nfs/dbraw/zinc/66/85/88/667668588.db2.gz	OXELPBDJZVJCJV-NWDGAFQWSA-N	-1	0	305.334	0.897	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@@H](C)CC2	ZINC000870134631	667712475	/nfs/dbraw/zinc/71/24/75/667712475.db2.gz	QVIQEVLCBQXLBS-RYUDHWBXSA-N	-1	0	318.377	0.941	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(-n2cccc2)c1	ZINC000870137920	667713207	/nfs/dbraw/zinc/71/32/07/667713207.db2.gz	FGOUZTAZESPAEH-ZDUSSCGKSA-N	-1	0	312.329	0.957	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](CCC)C(=O)OCC	ZINC000838896763	667719397	/nfs/dbraw/zinc/71/93/97/667719397.db2.gz	ZQYPNZSUCMFWJJ-QWRGUYRKSA-N	-1	0	319.379	0.203	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2)n1	ZINC000870330957	667731849	/nfs/dbraw/zinc/73/18/49/667731849.db2.gz	IPPVUFOKNYYCKI-UHFFFAOYSA-N	-1	0	308.363	0.160	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N2CCCC2=O)CC1	ZINC000870832489	667765018	/nfs/dbraw/zinc/76/50/18/667765018.db2.gz	JFQKTAYNCPOAJW-GFCCVEGCSA-N	-1	0	314.407	0.798	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn(CCOC)c2C)CC1	ZINC000870839554	667765406	/nfs/dbraw/zinc/76/54/06/667765406.db2.gz	NLDDMPBBNDQMPO-UHFFFAOYSA-N	-1	0	313.379	0.616	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CNC(=O)c3ccccc32)CC1	ZINC000870839017	667765480	/nfs/dbraw/zinc/76/54/80/667765480.db2.gz	CNGBXNGGKTWLOW-LBPRGKRZSA-N	-1	0	320.370	0.678	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CN(C)[C@@H]2CCSC2)CC1	ZINC000870835135	667765502	/nfs/dbraw/zinc/76/55/02/667765502.db2.gz	DDFWJYYFUQTEFH-SNVBAGLBSA-N	-1	0	304.437	0.588	20	30		DCEDRM
COc1ccccc1S(=O)(=O)[N-]C(=O)CSCC#N	ZINC000744211330	667823218	/nfs/dbraw/zinc/82/32/18/667823218.db2.gz	MVOCUKXMWRSOLU-UHFFFAOYSA-N	-1	0	300.361	0.757	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(S(=O)(=O)CCOC)cc1	ZINC000750396697	667977696	/nfs/dbraw/zinc/97/76/96/667977696.db2.gz	FFLJLVPBFWMWCI-GFCCVEGCSA-N	-1	0	324.358	0.175	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)NC(=O)[C@H](C)N2C	ZINC000750686596	667984947	/nfs/dbraw/zinc/98/49/47/667984947.db2.gz	GWXLIINIRKCZSY-WCBMZHEXSA-N	-1	0	300.318	0.532	20	30		DCEDRM
CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(C#N)cc1	ZINC000753169908	668026999	/nfs/dbraw/zinc/02/69/99/668026999.db2.gz	FDWFRDCOCHDVBW-UHFFFAOYSA-N	-1	0	322.328	0.996	20	30		DCEDRM
C#CCOCCNC(=O)c1ccccc1[N-]S(=O)(=O)CC	ZINC000753226882	668027486	/nfs/dbraw/zinc/02/74/86/668027486.db2.gz	KOIKVTGBCRCGTA-UHFFFAOYSA-N	-1	0	310.375	0.828	20	30		DCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccc(C(=O)OC)cc1N(C)C	ZINC000839565894	668118085	/nfs/dbraw/zinc/11/80/85/668118085.db2.gz	AMPVVJSZLXCMLU-UHFFFAOYSA-N	-1	0	321.333	0.712	20	30		DCEDRM
Cn1cc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])c(=O)n(C)c1=O	ZINC000757472885	668136320	/nfs/dbraw/zinc/13/63/20/668136320.db2.gz	LGPFDQDEWSUHOE-ARJAWSKDSA-N	-1	0	322.267	0.964	20	30		DCEDRM
COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000758505687	668180530	/nfs/dbraw/zinc/18/05/30/668180530.db2.gz	UCBLOXQJAFFLHP-JTQLQIEISA-N	-1	0	324.358	0.703	20	30		DCEDRM
COC(=O)c1cncc(C([O-])=C(C#N)C(=O)c2nccn2C)c1	ZINC000760242757	668264672	/nfs/dbraw/zinc/26/46/72/668264672.db2.gz	HSURAGGMXVPILJ-LLVKDONJSA-N	-1	0	312.285	0.807	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)CCCCC1	ZINC000760405087	668271104	/nfs/dbraw/zinc/27/11/04/668271104.db2.gz	XCPBOUVSECAUMF-NSHDSACASA-N	-1	0	316.379	0.322	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000927207906	668453337	/nfs/dbraw/zinc/45/33/37/668453337.db2.gz	NOCOVWQRTUGNNP-UHFFFAOYSA-N	-1	0	317.349	0.067	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCOC3)CCCC1	ZINC000764795174	668463032	/nfs/dbraw/zinc/46/30/32/668463032.db2.gz	LCTSQNANXJNYGG-SMDDNHRTSA-N	-1	0	312.391	0.943	20	30		DCEDRM
COC(=O)c1cc(C=Nn2c(=O)c(C)n[n-]c2=S)oc1C	ZINC000767108211	668559240	/nfs/dbraw/zinc/55/92/40/668559240.db2.gz	VDDGMKNGDTUIKF-UHFFFAOYSA-N	-1	0	308.319	0.806	20	30		DCEDRM
Cn1nc(C(=O)[N-]S(=O)(=O)CCCC#N)cc1OC(F)F	ZINC000768012592	668596844	/nfs/dbraw/zinc/59/68/44/668596844.db2.gz	WKGJLDFTEUUYNM-UHFFFAOYSA-N	-1	0	322.293	0.385	20	30		DCEDRM
C[C@@H]1CCCC[C@H]1NC(=S)NN=Cc1cn(CC(=O)[O-])nn1	ZINC000768477640	668611413	/nfs/dbraw/zinc/61/14/13/668611413.db2.gz	WYAJNDRAAHORJC-MWLCHTKSSA-N	-1	0	324.410	0.739	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CC[C@@H](C2CC2)O1)C(=O)[O-]	ZINC000929024064	668645621	/nfs/dbraw/zinc/64/56/21/668645621.db2.gz	IQVYYKDVQASTCE-AGIUHOORSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=CCC[C@H](NC(=O)N[C@H](COC)[C@H]1CCCO1)C(=O)[O-]	ZINC000929051472	668648288	/nfs/dbraw/zinc/64/82/88/668648288.db2.gz	XVWWPMRFFQHSHR-QJPTWQEYSA-N	-1	0	300.355	0.899	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)[C@@H](C)CC	ZINC000772713748	668781846	/nfs/dbraw/zinc/78/18/46/668781846.db2.gz	WHNMPTDJISBRTO-VHSXEESVSA-N	-1	0	320.436	0.566	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)COc1ccc2ccc(=O)oc2c1	ZINC000772717066	668782334	/nfs/dbraw/zinc/78/23/34/668782334.db2.gz	ASIPVGWIKRSDFE-UHFFFAOYSA-N	-1	0	323.326	0.804	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000772721462	668782543	/nfs/dbraw/zinc/78/25/43/668782543.db2.gz	PQRPSWQMMHBGIE-UHFFFAOYSA-N	-1	0	303.361	0.336	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)[N-]OC2CCOCC2)cc1	ZINC000773919464	668816913	/nfs/dbraw/zinc/81/69/13/668816913.db2.gz	CIXCYIHZBMADTA-UHFFFAOYSA-N	-1	0	303.318	0.515	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccnc(N(C)C)c1	ZINC000773967387	668818265	/nfs/dbraw/zinc/81/82/65/668818265.db2.gz	KRKUVGGTRZRJOH-LBPRGKRZSA-N	-1	0	304.350	0.623	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc(OC)n(C)n1	ZINC000773971677	668818274	/nfs/dbraw/zinc/81/82/74/668818274.db2.gz	WPGPSLGLUYHZAG-JTQLQIEISA-N	-1	0	308.338	0.294	20	30		DCEDRM
O=C([O-])Cn1cc(/C=C2\CC(=O)Nc3ccccc3C2=O)nn1	ZINC000774141305	668823848	/nfs/dbraw/zinc/82/38/48/668823848.db2.gz	LFMPQYNRKYGCFM-WEVVVXLNSA-N	-1	0	312.285	0.971	20	30		DCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)nn1C	ZINC000774501824	668835616	/nfs/dbraw/zinc/83/56/16/668835616.db2.gz	FDLCILRRJULGSJ-UHFFFAOYSA-N	-1	0	312.351	0.182	20	30		DCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)[C@H](C)COC	ZINC000775244498	668859599	/nfs/dbraw/zinc/85/95/99/668859599.db2.gz	LOKWGOILGAOFLU-SNVBAGLBSA-N	-1	0	314.363	0.741	20	30		DCEDRM
C#C[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)[C@@H]1CCCO1	ZINC000775347403	668861235	/nfs/dbraw/zinc/86/12/35/668861235.db2.gz	LXNFHBBQKRUHTH-JSGCOSHPSA-N	-1	0	322.386	0.969	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccn(C(F)F)n1	ZINC000776076591	668870687	/nfs/dbraw/zinc/87/06/87/668870687.db2.gz	NTFKLQLZPBKBJA-QMMMGPOBSA-N	-1	0	300.265	0.753	20	30		DCEDRM
CCc1noc(CCCC(=O)[N-]S(=O)(=O)CCCC#N)n1	ZINC000776122205	668871225	/nfs/dbraw/zinc/87/12/25/668871225.db2.gz	NDDAWIFNKIOSGU-UHFFFAOYSA-N	-1	0	314.367	0.704	20	30		DCEDRM
COCc1nc(C(=O)[N-]S(=O)(=O)CCCC#N)cs1	ZINC000776124044	668871430	/nfs/dbraw/zinc/87/14/30/668871430.db2.gz	WNQMHLLDWKMLME-UHFFFAOYSA-N	-1	0	303.365	0.653	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	ZINC000776597324	668878984	/nfs/dbraw/zinc/87/89/84/668878984.db2.gz	OWEKTPZKFOADLC-LLVKDONJSA-N	-1	0	306.384	0.351	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000776681343	668879979	/nfs/dbraw/zinc/87/99/79/668879979.db2.gz	VFBIBQFNBHJIKC-UHFFFAOYSA-N	-1	0	306.321	0.918	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)CCCC1	ZINC000779318510	668909756	/nfs/dbraw/zinc/90/97/56/668909756.db2.gz	RKWGGVSVMKBTJY-JTQLQIEISA-N	-1	0	313.379	0.043	20	30		DCEDRM
C[C@@H]1CN=C(NN=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)N1	ZINC000779797468	668937535	/nfs/dbraw/zinc/93/75/35/668937535.db2.gz	GZWHELUKGOHJDJ-MRVPVSSYSA-N	-1	0	321.293	0.329	20	30		DCEDRM
CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000784814818	669222110	/nfs/dbraw/zinc/22/21/10/669222110.db2.gz	MWXSEFNICSCDBT-LBPRGKRZSA-N	-1	0	321.358	0.125	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnn1CC(F)F	ZINC000789403860	669491382	/nfs/dbraw/zinc/49/13/82/669491382.db2.gz	OOJZQGTXOCSUKS-MRVPVSSYSA-N	-1	0	300.265	0.233	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cn(C(C)(C)C)nn1	ZINC000791835505	669632865	/nfs/dbraw/zinc/63/28/65/669632865.db2.gz	FNANKPJGFDWINJ-SECBINFHSA-N	-1	0	300.322	0.972	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OCCOC)cc1	ZINC000810775604	669664999	/nfs/dbraw/zinc/66/49/99/669664999.db2.gz	MLSCFQRNOMYDTL-UHFFFAOYSA-N	-1	0	311.359	0.795	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccs1	ZINC000810777106	669665361	/nfs/dbraw/zinc/66/53/61/669665361.db2.gz	ADJFDGGKEVUIJG-UHFFFAOYSA-N	-1	0	314.388	0.337	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)CC2OCCCO2)cc1	ZINC000793113592	669702023	/nfs/dbraw/zinc/70/20/23/669702023.db2.gz	UJWPWSRIIXAWCW-UHFFFAOYSA-N	-1	0	324.358	0.657	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1scnc1COC	ZINC000793125986	669703082	/nfs/dbraw/zinc/70/30/82/669703082.db2.gz	SLVURCDDQJEXEN-SECBINFHSA-N	-1	0	311.363	0.765	20	30		DCEDRM
Cc1nn(C)c(C)c1[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793202722	669707620	/nfs/dbraw/zinc/70/76/20/669707620.db2.gz	BAVJDELUBVZGKF-SECBINFHSA-N	-1	0	324.406	0.890	20	30		DCEDRM
Cc1cc(C)c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c(=O)[nH]1	ZINC000793204468	669707636	/nfs/dbraw/zinc/70/76/36/669707636.db2.gz	QNLFHNQZUYHVML-UHFFFAOYSA-N	-1	0	309.347	0.767	20	30		DCEDRM
COCc1ncsc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793212081	669707946	/nfs/dbraw/zinc/70/79/46/669707946.db2.gz	JJHPPZBZWDWDIG-UHFFFAOYSA-N	-1	0	315.376	0.653	20	30		DCEDRM
Cn1ncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)n1	ZINC000793209720	669708336	/nfs/dbraw/zinc/70/83/36/669708336.db2.gz	QTULYRGLIMZKME-UHFFFAOYSA-N	-1	0	311.367	0.349	20	30		DCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)ccn1	ZINC000796672914	669938642	/nfs/dbraw/zinc/93/86/42/669938642.db2.gz	BZVBBJVKFYHXLQ-LBPRGKRZSA-N	-1	0	309.347	0.582	20	30		DCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)ccn1	ZINC000796672889	669938926	/nfs/dbraw/zinc/93/89/26/669938926.db2.gz	BZVBBJVKFYHXLQ-GFCCVEGCSA-N	-1	0	309.347	0.582	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)[nH]1	ZINC000796739795	669941521	/nfs/dbraw/zinc/94/15/21/669941521.db2.gz	FXSYEYMYIWFNAD-JTQLQIEISA-N	-1	0	321.333	0.667	20	30		DCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C\c1ccccc1C#N	ZINC000797286534	669962798	/nfs/dbraw/zinc/96/27/98/669962798.db2.gz	XIKNNHVLHLUJLP-GQYWMQPJSA-N	-1	0	322.342	0.579	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)NCC1(CS(C)(=O)=O)CC1	ZINC000797732764	669974989	/nfs/dbraw/zinc/97/49/89/669974989.db2.gz	QUBZVFVKVRIIIG-UHFFFAOYSA-N	-1	0	304.368	0.093	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000799078248	670037852	/nfs/dbraw/zinc/03/78/52/670037852.db2.gz	BWBRLGWTZBHZHH-SECBINFHSA-N	-1	0	316.317	0.249	20	30		DCEDRM
COC(=O)c1[nH]c(C=Nn2c(=O)c(C)n[n-]c2=S)cc1C	ZINC000799868006	670075295	/nfs/dbraw/zinc/07/52/95/670075295.db2.gz	ROQPDHIKLIVYHY-UHFFFAOYSA-N	-1	0	307.335	0.541	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@H]1CCCC(=O)N1)cc2=O	ZINC000800245325	670082714	/nfs/dbraw/zinc/08/27/14/670082714.db2.gz	BUNSLFUUDCRAKF-SNVBAGLBSA-N	-1	0	315.289	0.018	20	30		DCEDRM
Cc1[nH]c(C=NNC(=S)NC[C@H]2CCCO2)cc1C(=O)[O-]	ZINC000800807386	670100639	/nfs/dbraw/zinc/10/06/39/670100639.db2.gz	WGZKTAJZNUXVIK-SNVBAGLBSA-N	-1	0	310.379	0.998	20	30		DCEDRM
Cc1[nH]c(C=NNc2nc3c(cnn3C)c(=O)[nH]2)cc1C(=O)[O-]	ZINC000800812598	670100811	/nfs/dbraw/zinc/10/08/11/670100811.db2.gz	HWBWJFVZTPLYAM-UHFFFAOYSA-N	-1	0	315.293	0.850	20	30		DCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)ccn1	ZINC000802207790	670157790	/nfs/dbraw/zinc/15/77/90/670157790.db2.gz	GYZYLUOLMYBLER-UHFFFAOYSA-N	-1	0	317.330	0.215	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC	ZINC000810671489	670493342	/nfs/dbraw/zinc/49/33/42/670493342.db2.gz	SKIAZIJTYWEEQK-SNVBAGLBSA-N	-1	0	309.343	0.218	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000810669043	670493507	/nfs/dbraw/zinc/49/35/07/670493507.db2.gz	JTBNLHSCQIKCJT-UHFFFAOYSA-N	-1	0	302.355	0.960	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CSCc1cscn1	ZINC000810772251	670496579	/nfs/dbraw/zinc/49/65/79/670496579.db2.gz	XNTOSXOCDMEIRB-UHFFFAOYSA-N	-1	0	304.418	0.846	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(-n2cncn2)c1	ZINC000810772082	670496669	/nfs/dbraw/zinc/49/66/69/670496669.db2.gz	SYNYASPFCWCFEK-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nn1	ZINC000810775328	670496902	/nfs/dbraw/zinc/49/69/02/670496902.db2.gz	BBQQGLJNXHRXMJ-UHFFFAOYSA-N	-1	0	308.363	0.160	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)CC(C)(C)C	ZINC000810777089	670497254	/nfs/dbraw/zinc/49/72/54/670497254.db2.gz	VQRONXHSTSLQPH-SNVBAGLBSA-N	-1	0	302.396	0.397	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC000810776859	670497319	/nfs/dbraw/zinc/49/73/19/670497319.db2.gz	LFIALIDDIGNNNB-LLVKDONJSA-N	-1	0	306.343	0.795	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@]1(C)Cc2ccccc2C(=O)O1	ZINC000810779681	670497396	/nfs/dbraw/zinc/49/73/96/670497396.db2.gz	XFPFEIODIJCFEN-HNNXBMFYSA-N	-1	0	321.354	0.628	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)OC)cc1	ZINC000810782736	670497830	/nfs/dbraw/zinc/49/78/30/670497830.db2.gz	WSKGQEZNHCAJLU-UHFFFAOYSA-N	-1	0	323.370	0.875	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cc(OC)ccc1OC	ZINC000810784181	670498043	/nfs/dbraw/zinc/49/80/43/670498043.db2.gz	VKZAAOGMUQVPAH-UHFFFAOYSA-N	-1	0	311.359	0.716	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC000810987338	670502305	/nfs/dbraw/zinc/50/23/05/670502305.db2.gz	IDEWWAJFWUSZQE-UHFFFAOYSA-N	-1	0	314.323	0.497	20	30		DCEDRM
CC(C)(C)O[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCCC#N)C1	ZINC000811672789	670541464	/nfs/dbraw/zinc/54/14/64/670541464.db2.gz	QBAPEVKBKFGDOY-MNOVXSKESA-N	-1	0	318.395	0.963	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)[N-]O[C@H]2CCCCO2)ncc1C#N	ZINC000847512665	670566410	/nfs/dbraw/zinc/56/64/10/670566410.db2.gz	WHJMIIWAJAJKGV-LBPRGKRZSA-N	-1	0	304.306	0.775	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-n2cnnn2)cn1	ZINC000847620500	670582525	/nfs/dbraw/zinc/58/25/25/670582525.db2.gz	AQLTVXQSSCZZOC-LLVKDONJSA-N	-1	0	311.305	0.002	20	30		DCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccc(OCC)c(OCC)c1	ZINC000812784313	670595970	/nfs/dbraw/zinc/59/59/70/670595970.db2.gz	HVTPZKNUSNMGHR-UHFFFAOYSA-N	-1	0	320.345	0.895	20	30		DCEDRM
C#CCO[N-]C(=O)CNS(=O)(=O)c1ccc(Cl)cc1	ZINC000812786216	670595980	/nfs/dbraw/zinc/59/59/80/670595980.db2.gz	DDYZPYGXOQIRMH-UHFFFAOYSA-N	-1	0	302.739	0.299	20	30		DCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2ccc(C#N)nc2)cnn1C	ZINC000813954881	670665630	/nfs/dbraw/zinc/66/56/30/670665630.db2.gz	TYNBLKZXHPOZRN-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CC[C@H]2CCOC2)c1	ZINC000813979798	670666700	/nfs/dbraw/zinc/66/67/00/670666700.db2.gz	DRJOSKRZQBCERM-JTQLQIEISA-N	-1	0	309.347	0.575	20	30		DCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)Cc2ccc(C#N)cc2)cnn1C	ZINC000813957234	670666799	/nfs/dbraw/zinc/66/67/99/670666799.db2.gz	XGFVQHNTAMVUQV-UHFFFAOYSA-N	-1	0	318.358	0.648	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2cnn(CCF)c2)c1	ZINC000813983027	670667391	/nfs/dbraw/zinc/66/73/91/670667391.db2.gz	DUQSSUPQDZATMO-UHFFFAOYSA-N	-1	0	323.309	0.238	20	30		DCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)cn1	ZINC000813980959	670667780	/nfs/dbraw/zinc/66/77/80/670667780.db2.gz	LYHSWEWMPCGLLJ-UHFFFAOYSA-N	-1	0	318.314	0.476	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1c(C)cnn1C)OCC	ZINC000813986519	670668817	/nfs/dbraw/zinc/66/88/17/670668817.db2.gz	CPBMGWJZFBKYSH-NSHDSACASA-N	-1	0	315.395	0.905	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cn(-c2ccc(F)c(Cl)c2)nn1	ZINC000814233159	670681930	/nfs/dbraw/zinc/68/19/30/670681930.db2.gz	DEIVRLAYRROKII-UHFFFAOYSA-N	-1	0	323.675	0.945	20	30		DCEDRM
O=C1CN(N=Cc2ccc(Cl)cc2-n2cncn2)C(=O)N1	ZINC000814778097	670702816	/nfs/dbraw/zinc/70/28/16/670702816.db2.gz	QINGWEBDDHRKEI-UHFFFAOYSA-N	-1	0	304.697	0.806	20	30		DCEDRM
C=CC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1ccncc1	ZINC000848608035	670704166	/nfs/dbraw/zinc/70/41/66/670704166.db2.gz	ONODSCYNKKAPLG-PWSUYJOCSA-N	-1	0	305.334	0.652	20	30		DCEDRM
C[C@H]1CC(N=Nc2nc3[nH][nH]cc-3c(=O)n2)CC[C@H]1C(=O)[O-]	ZINC000814843244	670704715	/nfs/dbraw/zinc/70/47/15/670704715.db2.gz	PZTCDKIZPXSVMN-POYBYMJQSA-N	-1	0	304.310	0.721	20	30		DCEDRM
O=C([N-]CCS(=O)(=O)CC(F)(F)F)C(F)(F)C(F)F	ZINC000855576258	670730842	/nfs/dbraw/zinc/73/08/42/670730842.db2.gz	PVFJUBSCRWJWJP-UHFFFAOYSA-N	-1	0	319.198	0.980	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC	ZINC000849218979	670765727	/nfs/dbraw/zinc/76/57/27/670765727.db2.gz	DJQJLQSSYKFFKO-GHMZBOCLSA-N	-1	0	317.363	0.068	20	30		DCEDRM
C=CCCO[N-]C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000856029614	670776928	/nfs/dbraw/zinc/77/69/28/670776928.db2.gz	WLTXOQFJUGAVMO-UHFFFAOYSA-N	-1	0	321.289	0.944	20	30		DCEDRM
CCn1c(=O)c2ccc(C(=O)NCC#CCO)cc2[n-]c1=S	ZINC000816536842	670819816	/nfs/dbraw/zinc/81/98/16/670819816.db2.gz	LRQZLSWYTWEAHH-UHFFFAOYSA-N	-1	0	317.370	0.431	20	30		DCEDRM
N#Cc1cccc(CN(CC(=O)[O-])S(=O)(=O)C(F)F)c1	ZINC000817419471	670920209	/nfs/dbraw/zinc/92/02/09/670920209.db2.gz	BJZNRCYBIMTRJJ-UHFFFAOYSA-N	-1	0	304.274	0.997	20	30		DCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccn2nnnc2c1	ZINC000850752524	670938122	/nfs/dbraw/zinc/93/81/22/670938122.db2.gz	PGQGTRPNKLJXNW-NSHDSACASA-N	-1	0	300.322	0.753	20	30		DCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)[C@H]1CCCO1	ZINC000850940570	670956365	/nfs/dbraw/zinc/95/63/65/670956365.db2.gz	PWECMIXMHMTOQP-GHMZBOCLSA-N	-1	0	300.380	0.941	20	30		DCEDRM
COC[C@@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000850947472	670956762	/nfs/dbraw/zinc/95/67/62/670956762.db2.gz	IVICIDNWFOZMJQ-LLVKDONJSA-N	-1	0	318.395	0.568	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21	ZINC000851000372	670960230	/nfs/dbraw/zinc/96/02/30/670960230.db2.gz	UIJIIVFYRMTDGD-IJLUTSLNSA-N	-1	0	312.391	0.151	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1COC[C@H]1c1ccccc1	ZINC000851000345	670960310	/nfs/dbraw/zinc/96/03/10/670960310.db2.gz	SNFAXBBGQMDSTK-KBPBESRZSA-N	-1	0	307.371	0.886	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1COC[C@H]1c1ccccc1	ZINC000850999486	670960393	/nfs/dbraw/zinc/96/03/93/670960393.db2.gz	GMFBKISIUVXPAE-UONOGXRCSA-N	-1	0	307.371	0.886	20	30		DCEDRM
Cc1ncsc1CCS(=O)(=O)[N-]C(=O)[C@@H](C)CC#N	ZINC000851018473	670961512	/nfs/dbraw/zinc/96/15/12/670961512.db2.gz	NLZNKCQHSONAPP-QMMMGPOBSA-N	-1	0	301.393	0.990	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000851192094	670972778	/nfs/dbraw/zinc/97/27/78/670972778.db2.gz	YDTRVYWILFGEFD-SNVBAGLBSA-N	-1	0	324.333	0.682	20	30		DCEDRM
CC[C@H](C)CONC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000858481719	671008356	/nfs/dbraw/zinc/00/83/56/671008356.db2.gz	NNMJVPACTVHQPQ-VIFPVBQESA-N	-1	0	321.337	0.365	20	30		DCEDRM
C#C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)C	ZINC000859158153	671078372	/nfs/dbraw/zinc/07/83/72/671078372.db2.gz	ACPUJDSKFMXKHU-VIFPVBQESA-N	-1	0	300.340	0.655	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000820053901	671159199	/nfs/dbraw/zinc/15/91/99/671159199.db2.gz	HUMFSKWZGPGQSW-JTQLQIEISA-N	-1	0	314.338	0.311	20	30		DCEDRM
C#CCOCCNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000853006225	671201924	/nfs/dbraw/zinc/20/19/24/671201924.db2.gz	CQWXRJNTJAIRFW-UHFFFAOYSA-N	-1	0	320.345	0.352	20	30		DCEDRM
CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000860451190	671209804	/nfs/dbraw/zinc/20/98/04/671209804.db2.gz	RIQIWUHPWXMNMO-LBPRGKRZSA-N	-1	0	309.347	0.134	20	30		DCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000853206910	671219195	/nfs/dbraw/zinc/21/91/95/671219195.db2.gz	WLTLLCVGRANNLI-LBPRGKRZSA-N	-1	0	305.396	0.678	20	30		DCEDRM
CS(=O)(=O)CCNN=C1C(=O)Nc2cc([O-])c(Cl)cc21	ZINC000853307027	671226816	/nfs/dbraw/zinc/22/68/16/671226816.db2.gz	AXVQJKXJTSADAY-UHFFFAOYSA-N	-1	0	317.754	0.336	20	30		DCEDRM
C[C@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821584338	671284675	/nfs/dbraw/zinc/28/46/75/671284675.db2.gz	YZBHDPGHRGWTFO-WDEREUQCSA-N	-1	0	304.368	0.320	20	30		DCEDRM
C#CCO[N-]C(=O)Cc1ccc(S(=O)(=O)NCC=C)s1	ZINC000824484006	671431455	/nfs/dbraw/zinc/43/14/55/671431455.db2.gz	RCJYBSZJYQIUNE-UHFFFAOYSA-N	-1	0	314.388	0.436	20	30		DCEDRM
C#C[C@@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C1CCOCC1	ZINC000825667593	671468967	/nfs/dbraw/zinc/46/89/67/671468967.db2.gz	ZVYNDCYRVOGMLJ-OAHLLOKOSA-N	-1	0	319.405	0.920	20	30		DCEDRM
Cc1ccccc1NC(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000826307369	671483146	/nfs/dbraw/zinc/48/31/46/671483146.db2.gz	FQFTXALYSUYYIB-UHFFFAOYSA-N	-1	0	308.305	0.882	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CCNC(=O)C1CCCC1	ZINC000826383170	671486819	/nfs/dbraw/zinc/48/68/19/671486819.db2.gz	NSOWQBVWVFMMGM-UHFFFAOYSA-N	-1	0	300.326	0.241	20	30		DCEDRM
C#CC1(O)CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CC1	ZINC000826971839	671508749	/nfs/dbraw/zinc/50/87/49/671508749.db2.gz	LQELGFSQZXVTPW-UHFFFAOYSA-N	-1	0	305.378	0.362	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000831033888	671651122	/nfs/dbraw/zinc/65/11/22/671651122.db2.gz	MLFHXLJROLLQPF-WDEREUQCSA-N	-1	0	318.395	0.339	20	30		DCEDRM
CCCO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1OCCOC	ZINC000834356834	671756490	/nfs/dbraw/zinc/75/64/90/671756490.db2.gz	WDAYYYJPUIFRHI-UHFFFAOYSA-N	-1	0	321.333	0.980	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)COc1cccc([N+](=O)[O-])c1	ZINC000835411923	671795823	/nfs/dbraw/zinc/79/58/23/671795823.db2.gz	QXTXPZNKJKXWIN-UHFFFAOYSA-N	-1	0	313.291	0.333	20	30		DCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cccc(CC(=O)OCC)c1	ZINC000835971585	671811367	/nfs/dbraw/zinc/81/13/67/671811367.db2.gz	ORGPMVBQYGGZGD-UHFFFAOYSA-N	-1	0	306.318	0.965	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCN1c1ncccn1)C(=O)[O-]	ZINC000836751084	671831001	/nfs/dbraw/zinc/83/10/01/671831001.db2.gz	OIDLIPQNCPIHSE-RYUDHWBXSA-N	-1	0	320.349	0.217	20	30		DCEDRM
C=CCO[N-]C(=O)Cn1c2ccccc2c(=O)n(CC)c1=O	ZINC000837042656	671843501	/nfs/dbraw/zinc/84/35/01/671843501.db2.gz	BIMHNQWVBVXKEN-UHFFFAOYSA-N	-1	0	303.318	0.417	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn2c1C[C@@H](C)CC2	ZINC000842684600	672028660	/nfs/dbraw/zinc/02/86/60/672028660.db2.gz	LUHCXOAAZJNDTK-QWRGUYRKSA-N	-1	0	304.350	0.550	20	30		DCEDRM
COCC1(CC(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000842806467	672039152	/nfs/dbraw/zinc/03/91/52/672039152.db2.gz	KBPSDKYJXJSDEN-UHFFFAOYSA-N	-1	0	309.347	0.575	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000843036416	672055019	/nfs/dbraw/zinc/05/50/19/672055019.db2.gz	LMXHIKXKZMJKTJ-WCBMZHEXSA-N	-1	0	309.347	0.871	20	30		DCEDRM
C#C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)[C@H]1CCCO1	ZINC000843045855	672055825	/nfs/dbraw/zinc/05/58/25/672055825.db2.gz	YCWFCDLGELERRP-CHWSQXEVSA-N	-1	0	316.313	0.620	20	30		DCEDRM
C#C[C@H](CO)NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-]	ZINC000867341705	672131896	/nfs/dbraw/zinc/13/18/96/672131896.db2.gz	OYFNZPRAGBRJRL-MRVPVSSYSA-N	-1	0	309.265	0.683	20	30		DCEDRM
CS(=O)(=O)N1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000844269074	672169937	/nfs/dbraw/zinc/16/99/37/672169937.db2.gz	AHCVUMJJCZANGW-BNDQCTAISA-N	-1	0	313.335	0.753	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)N(CCC(=O)[O-])C1CC1	ZINC000844792599	672203166	/nfs/dbraw/zinc/20/31/66/672203166.db2.gz	YQEKZFWDKXRFAV-UHFFFAOYSA-N	-1	0	319.383	0.032	20	30		DCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844820621	672205258	/nfs/dbraw/zinc/20/52/58/672205258.db2.gz	DSDUSXKCEXIOBS-UHFFFAOYSA-N	-1	0	311.363	0.515	20	30		DCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H]1c1ccncc1	ZINC000845501232	672253646	/nfs/dbraw/zinc/25/36/46/672253646.db2.gz	CJZMYZLMWDDCQE-OLZOCXBDSA-N	-1	0	323.374	0.909	20	30		DCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000846001803	672287584	/nfs/dbraw/zinc/28/75/84/672287584.db2.gz	HKYZGROXQICTFV-UHFFFAOYSA-N	-1	0	301.299	0.043	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O	ZINC000846146737	672297426	/nfs/dbraw/zinc/29/74/26/672297426.db2.gz	KQLAHHFJNBXPEW-UHFFFAOYSA-N	-1	0	321.308	0.674	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1	ZINC000846543180	672326414	/nfs/dbraw/zinc/32/64/14/672326414.db2.gz	GPZVGTIXKOCSEL-ZWNOBZJWSA-N	-1	0	302.334	0.729	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000846547293	672326773	/nfs/dbraw/zinc/32/67/73/672326773.db2.gz	JMVJTUOCRZPOAX-MNOVXSKESA-N	-1	0	323.374	0.847	20	30		DCEDRM
CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771079747	685337065	/nfs/dbraw/zinc/33/70/65/685337065.db2.gz	XZQUGUIISXTQBA-UHFFFAOYSA-N	-1	0	310.379	0.965	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc3[nH]c(=O)oc3c2)CC1	ZINC000793195997	685343706	/nfs/dbraw/zinc/34/37/06/685343706.db2.gz	DZRKAPPIVFEKBU-UHFFFAOYSA-N	-1	0	321.314	0.897	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COc2ccsc2)CC1	ZINC000793194813	685343744	/nfs/dbraw/zinc/34/37/44/685343744.db2.gz	ZXPSGSDEUQBURW-UHFFFAOYSA-N	-1	0	300.361	0.877	20	30		DCEDRM
N#Cc1ccc(OC[C@@H](O)CN2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000833071266	685359922	/nfs/dbraw/zinc/35/99/22/685359922.db2.gz	HOGLVQRMMYENLD-ZFWWWQNUSA-N	-1	0	320.345	0.473	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000092480127	685108341	/nfs/dbraw/zinc/10/83/41/685108341.db2.gz	BEYPJQAYWDZTFO-UHFFFAOYSA-N	-1	0	312.303	0.612	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(NS(C)(=O)=O)cc1	ZINC000092461831	685108755	/nfs/dbraw/zinc/10/87/55/685108755.db2.gz	VNYAMHRRHOZZJF-UHFFFAOYSA-N	-1	0	312.347	0.771	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1OC)C(=O)[O-]	ZINC000387614279	685252935	/nfs/dbraw/zinc/25/29/35/685252935.db2.gz	ZCMRHGIDEMEBGJ-SNVBAGLBSA-N	-1	0	307.302	0.919	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC000956829353	686873219	/nfs/dbraw/zinc/87/32/19/686873219.db2.gz	YOSIGVNTWXXIIX-CLAHSXSESA-N	-1	0	305.338	0.304	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@]2(C)CCN(C(=O)[C@H](C)C#N)C2)c1[O-]	ZINC000956829356	686873569	/nfs/dbraw/zinc/87/35/69/686873569.db2.gz	YOSIGVNTWXXIIX-XLKFXECMSA-N	-1	0	305.338	0.304	20	30		DCEDRM
C=C(Cl)CN1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001007801554	690751762	/nfs/dbraw/zinc/75/17/62/690751762.db2.gz	SGPISKZMGYITHR-MRVPVSSYSA-N	-1	0	313.745	0.230	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@]3(C2)CCCN(CC#N)C3)c1[O-]	ZINC001040166993	694503632	/nfs/dbraw/zinc/50/36/32/694503632.db2.gz	SXOVWAHHJZAKDG-OAHLLOKOSA-N	-1	0	303.366	0.875	20	30		DCEDRM
CC#CCCCC(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001721072772	1157997473	/nfs/dbraw/zinc/99/74/73/1157997473.db2.gz	OMQUEYWLNBNMRS-UHFFFAOYSA-N	-1	0	306.366	0.806	20	30		DCEDRM
Cc1nc(C#N)cnc1NC(=N)SCCS(=O)(=O)[O-]	ZINC001157326243	1159080863	/nfs/dbraw/zinc/08/08/63/1159080863.db2.gz	NDZHZZDUUGAAEO-UHFFFAOYSA-N	-1	0	301.353	0.624	20	30		DCEDRM
C=CCN1CCC[C@H]([N-]S(=O)(=O)CC(F)(F)F)C1=O	ZINC001253235294	1159141235	/nfs/dbraw/zinc/14/12/35/1159141235.db2.gz	PRUUBJOWJPWHOP-QMMMGPOBSA-N	-1	0	300.302	0.645	20	30		DCEDRM
CC(=O)CCCCCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001299923838	1159153026	/nfs/dbraw/zinc/15/30/26/1159153026.db2.gz	SZSHDHBSRRXTKW-UHFFFAOYSA-N	-1	0	320.349	0.476	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC23CCC(CC2)C3)c(=O)[n-]c1=O	ZINC001447633345	1159673378	/nfs/dbraw/zinc/67/33/78/1159673378.db2.gz	XFGQCOBGCWZIDA-UHFFFAOYSA-N	-1	0	302.334	0.660	20	30		DCEDRM
CC[C@](COC)(NS(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC001609925962	1159828101	/nfs/dbraw/zinc/82/81/01/1159828101.db2.gz	HMYNNWPBJGRGJF-GFCCVEGCSA-N	-1	0	304.368	0.479	20	30		DCEDRM
O=S(=O)(NCC#CCO)c1c(F)cccc1Br	ZINC001561703213	1159869744	/nfs/dbraw/zinc/86/97/44/1159869744.db2.gz	VXLUIMTUPLBQJX-UHFFFAOYSA-N	-1	0	322.155	0.862	20	30		DCEDRM
C=CCCC[N@@H+](C)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001567310304	1160303963	/nfs/dbraw/zinc/30/39/63/1160303963.db2.gz	GGYWZERUZQINEQ-UHFFFAOYSA-N	-1	0	318.381	0.085	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001569904330	1161309739	/nfs/dbraw/zinc/30/97/39/1161309739.db2.gz	JIAVIKKDJCJUJK-NWDGAFQWSA-N	-1	0	321.381	0.278	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001569905273	1161310561	/nfs/dbraw/zinc/31/05/61/1161310561.db2.gz	AKBSXBNRYFJGSR-CHWSQXEVSA-N	-1	0	317.393	0.735	20	30		DCEDRM
CC(C)C#CC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001569905274	1161310829	/nfs/dbraw/zinc/31/08/29/1161310829.db2.gz	AKBSXBNRYFJGSR-OLZOCXBDSA-N	-1	0	317.393	0.735	20	30		DCEDRM
C=CCCC(=O)NC[C@@H]1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)O1	ZINC001570229470	1161506141	/nfs/dbraw/zinc/50/61/41/1161506141.db2.gz	BBARTADJLJPWDE-NSHDSACASA-N	-1	0	321.381	0.326	20	30		DCEDRM
C[C@@]1(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC=CCC1	ZINC001570253968	1161527587	/nfs/dbraw/zinc/52/75/87/1161527587.db2.gz	PLOIDCAFBVWYMM-OAHLLOKOSA-N	-1	0	302.334	0.826	20	30		DCEDRM
C#CC1(O)CN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1	ZINC001573302042	1163412669	/nfs/dbraw/zinc/41/26/69/1163412669.db2.gz	IPFTZFQXFOLPEO-UHFFFAOYSA-N	-1	0	300.274	0.473	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573385347	1163420745	/nfs/dbraw/zinc/42/07/45/1163420745.db2.gz	YSKBBUKDNUGKSH-ZDEQEGDKSA-N	-1	0	306.362	0.664	20	30		DCEDRM
CC#CCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)CNC(=O)[O-])C1	ZINC001573384656	1163420903	/nfs/dbraw/zinc/42/09/03/1163420903.db2.gz	OFQKMDFUAKDIIX-QWHCGFSZSA-N	-1	0	323.393	0.849	20	30		DCEDRM
C[C@@H](NC(=O)[C@@H](C)NC(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC001573554248	1163493125	/nfs/dbraw/zinc/49/31/25/1163493125.db2.gz	QPEGGHXGKJUWCE-RNFRBKRXSA-N	-1	0	310.335	0.719	20	30		DCEDRM
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)c1coc(C#N)c1	ZINC001573864395	1163571676	/nfs/dbraw/zinc/57/16/76/1163571676.db2.gz	BGNIBUUMMJKVAV-UHFFFAOYSA-N	-1	0	319.317	0.546	20	30		DCEDRM
Cc1c(C(=O)NCc2cc(C(=O)[O-])no2)cnn1CCC#N	ZINC001574114353	1163639544	/nfs/dbraw/zinc/63/95/44/1163639544.db2.gz	SXMBMJMMGUTCFF-UHFFFAOYSA-N	-1	0	303.278	0.721	20	30		DCEDRM
Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC001574136084	1163646315	/nfs/dbraw/zinc/64/63/15/1163646315.db2.gz	ANSBANWOWWBXOE-GFCCVEGCSA-N	-1	0	316.310	0.120	20	30		DCEDRM
Cc1cc(NC(=O)N2CCO[C@](C)(C(=O)[O-])C2)ncc1C#N	ZINC001574141471	1163647394	/nfs/dbraw/zinc/64/73/94/1163647394.db2.gz	PBFVXLPXTDSLHI-AWEZNQCLSA-N	-1	0	304.306	0.969	20	30		DCEDRM
N#CCc1cccc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)n1	ZINC001574241049	1163672282	/nfs/dbraw/zinc/67/22/82/1163672282.db2.gz	GIKRPGFVZVZCOT-KOLCDFICSA-N	-1	0	319.321	0.240	20	30		DCEDRM
N#Cc1ccc(C(F)(F)F)n(Cc2nc(C(=O)[O-])no2)c1=O	ZINC001574245622	1163673312	/nfs/dbraw/zinc/67/33/12/1163673312.db2.gz	TXAHJSCBDVZWHD-UHFFFAOYSA-N	-1	0	314.179	0.868	20	30		DCEDRM
N#Cc1ccccc1N1CCC(NC(=O)[C@H](O)CC(=O)[O-])CC1	ZINC001574249012	1163675180	/nfs/dbraw/zinc/67/51/80/1163675180.db2.gz	PMLYZQOMCVUCAD-CQSZACIVSA-N	-1	0	317.345	0.479	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)C(=O)C#CC3CC3)C2)c1[O-]	ZINC001576279066	1164288744	/nfs/dbraw/zinc/28/87/44/1164288744.db2.gz	FAXWHBUZJFTROK-GFCCVEGCSA-N	-1	0	316.361	0.510	20	30		DCEDRM
Cn1c(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)nnc1C1CC1	ZINC001581752727	1165868254	/nfs/dbraw/zinc/86/82/54/1165868254.db2.gz	UKURSBROPHRUKN-UHFFFAOYSA-N	-1	0	323.324	0.146	20	30		DCEDRM
N#Cc1nc(NC(=O)C2CC3(CSC3)C2)[n-]c1-c1nn[nH]n1	ZINC001581860180	1165891159	/nfs/dbraw/zinc/89/11/59/1165891159.db2.gz	OBOKWXXKRATEGL-UHFFFAOYSA-N	-1	0	316.350	0.543	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cnoc2C2CC2)[n-]c1-c1nn[nH]n1	ZINC001581860873	1165895144	/nfs/dbraw/zinc/89/51/44/1165895144.db2.gz	XJXUIEHZZVQTEV-UHFFFAOYSA-N	-1	0	311.265	0.579	20	30		DCEDRM
N#Cc1ccc2c(c1)CN(c1cnc(C#N)c(-c3nnn[n-]3)n1)C2	ZINC001581874078	1165896765	/nfs/dbraw/zinc/89/67/65/1165896765.db2.gz	CVUBALBOIDQIBT-UHFFFAOYSA-N	-1	0	315.300	0.920	20	30		DCEDRM
C#C[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)C1CCOCC1	ZINC001588328772	1166523321	/nfs/dbraw/zinc/52/33/21/1166523321.db2.gz	QBWBDNVSCASPJS-SNVBAGLBSA-N	-1	0	310.321	0.369	20	30		DCEDRM
C#CC1(NS(=O)(=O)c2cccnc2-c2nnn[n-]2)CCCC1	ZINC001588333451	1166529031	/nfs/dbraw/zinc/52/90/31/1166529031.db2.gz	RASBNQNGTHCWPZ-UHFFFAOYSA-N	-1	0	318.362	0.486	20	30		DCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001588341136	1166536009	/nfs/dbraw/zinc/53/60/09/1166536009.db2.gz	ZCKWRJAHIQFITB-UHFFFAOYSA-N	-1	0	319.346	0.475	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2O)C(=O)[O-]	ZINC001588414878	1166551226	/nfs/dbraw/zinc/55/12/26/1166551226.db2.gz	VBJWZTZJQUZWSU-VXGBXAGGSA-N	-1	0	304.302	0.363	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(CN2CCOCC2)o1)C(=O)[O-]	ZINC001588414650	1166552211	/nfs/dbraw/zinc/55/22/11/1166552211.db2.gz	PIJXSRJQFVEESA-LBPRGKRZSA-N	-1	0	306.318	0.318	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cc(S(C)(=O)=O)cc(C)c1C)C(=O)[O-]	ZINC001588414695	1166552353	/nfs/dbraw/zinc/55/23/53/1166552353.db2.gz	XYTOZOAKHQAFKS-CYBMUJFWSA-N	-1	0	323.370	0.913	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC001588489639	1166556839	/nfs/dbraw/zinc/55/68/39/1166556839.db2.gz	AIWZTGFEPKSZKY-NSHDSACASA-N	-1	0	318.329	0.868	20	30		DCEDRM
C=CC[C@H]1CCCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1	ZINC001588560666	1166561853	/nfs/dbraw/zinc/56/18/53/1166561853.db2.gz	UBNNORWUBLLCRP-MNOVXSKESA-N	-1	0	316.369	0.834	20	30		DCEDRM
C=CCN(C1CC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1	ZINC001588628393	1166570478	/nfs/dbraw/zinc/57/04/78/1166570478.db2.gz	XCMRNZQSWGCGJC-UHFFFAOYSA-N	-1	0	306.351	0.601	20	30		DCEDRM
C=C[C@H](CO)NC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC001588727786	1166582024	/nfs/dbraw/zinc/58/20/24/1166582024.db2.gz	IYTMKFOCZHDEKL-JOYOIKCWSA-N	-1	0	302.338	0.774	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)Nc1ccnc(-c2nn[nH]n2)c1	ZINC001588737356	1166582299	/nfs/dbraw/zinc/58/22/99/1166582299.db2.gz	DCDNAWGRYMGJGE-JTQLQIEISA-N	-1	0	301.310	0.158	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)CNc1ccc(-c2nn[nH]n2)cn1	ZINC001588728862	1166582822	/nfs/dbraw/zinc/58/28/22/1166582822.db2.gz	WOBIYWDFXCVJMW-MNOVXSKESA-N	-1	0	315.337	0.133	20	30		DCEDRM
C=CCn1c(N2CCO[C@H](CC(=O)[O-])C2)nnc1C(C)(C)O	ZINC001588905252	1166615382	/nfs/dbraw/zinc/61/53/82/1166615382.db2.gz	URYHHSPOQQUQQK-SNVBAGLBSA-N	-1	0	310.354	0.371	20	30		DCEDRM
C[C@@H](C(=O)N(CC#N)c1ccccc1)n1cnc(-c2nnn[n-]2)n1	ZINC001588943428	1166620839	/nfs/dbraw/zinc/62/08/39/1166620839.db2.gz	OAQRXKYIQUPINH-JTQLQIEISA-N	-1	0	323.320	0.576	20	30		DCEDRM
C[C@@H](C(=O)OCCC(C)(C)C#N)n1cnc(-c2nnn[n-]2)n1	ZINC001589027323	1166631322	/nfs/dbraw/zinc/63/13/22/1166631322.db2.gz	NDEYFIMAPRSFTN-QMMMGPOBSA-N	-1	0	304.314	0.502	20	30		DCEDRM
C[C@H](C(=O)OC1(CC#N)CCC1)n1cnc(-c2nnn[n-]2)n1	ZINC001589028753	1166631497	/nfs/dbraw/zinc/63/14/97/1166631497.db2.gz	YCPVENZXDZZGDJ-MRVPVSSYSA-N	-1	0	302.298	0.399	20	30		DCEDRM
C[C@@H](CC#N)N(C)Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2	ZINC001589786764	1166687901	/nfs/dbraw/zinc/68/79/01/1166687901.db2.gz	CCUFVAGKRBMXAZ-JTQLQIEISA-N	-1	0	313.365	0.709	20	30		DCEDRM
C[C@H](CC(C)(C)C#N)OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001589795084	1166689218	/nfs/dbraw/zinc/68/92/18/1166689218.db2.gz	JHRUVSINAYJSSO-RKDXNWHRSA-N	-1	0	318.341	0.891	20	30		DCEDRM
CC1(C)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1NCC#N	ZINC001590102165	1166775110	/nfs/dbraw/zinc/77/51/10/1166775110.db2.gz	KJBBTEVQAJPYNT-NSHDSACASA-N	-1	0	314.353	0.159	20	30		DCEDRM
C[C@H]1CCC[C@H](CNc2cnc(-c3nn[nH]n3)c(C#N)n2)O1	ZINC001590241926	1166823263	/nfs/dbraw/zinc/82/32/63/1166823263.db2.gz	IWDNITZRCKKWKA-DTWKUNHWSA-N	-1	0	300.326	0.898	20	30		DCEDRM
C[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@@H](C)S1	ZINC001590316381	1166860502	/nfs/dbraw/zinc/86/05/02/1166860502.db2.gz	LHKLSFVTYMVPEQ-HTQZYQBOSA-N	-1	0	302.367	0.859	20	30		DCEDRM
C[C@H]1CNc2c(Nc3cnc(C#N)c(-c4nnn[n-]4)n3)cnn2C1	ZINC001590322148	1166863150	/nfs/dbraw/zinc/86/31/50/1166863150.db2.gz	OZGAZOCHBRXINX-ZETCQYMHSA-N	-1	0	323.324	0.530	20	30		DCEDRM
CCn1ccc(CN(C)c2cnc(C#N)c(-c3nnn[n-]3)n2)c1	ZINC001590958027	1167059301	/nfs/dbraw/zinc/05/93/01/1167059301.db2.gz	FEVOGRKVZPVMGM-UHFFFAOYSA-N	-1	0	309.337	0.986	20	30		DCEDRM
COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CC2(C#N)CCC2)c1	ZINC001591286782	1167200089	/nfs/dbraw/zinc/20/00/89/1167200089.db2.gz	PKESWAWPXXXPSI-UHFFFAOYSA-N	-1	0	314.305	0.509	20	30		DCEDRM
COC[C@](C)(C#N)NC(=O)c1ccc(-c2nn[nH]n2)c(Cl)n1	ZINC001591367623	1167239036	/nfs/dbraw/zinc/23/90/36/1167239036.db2.gz	BMMBDVSASOGDNZ-LBPRGKRZSA-N	-1	0	321.728	0.574	20	30		DCEDRM
COC[C@@](C)(C#N)NC(=O)c1ccc(-c2nn[nH]n2)c(OC)c1	ZINC001591367597	1167239563	/nfs/dbraw/zinc/23/95/63/1167239563.db2.gz	AGKSVVHRGQIXAR-CQSZACIVSA-N	-1	0	316.321	0.534	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)N1CCC[C@@H](C)C1	ZINC001592334966	1167490977	/nfs/dbraw/zinc/49/09/77/1167490977.db2.gz	JNRMAQHEJQHLKJ-SECBINFHSA-N	-1	0	314.353	0.502	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1nnc(C2CCC2)n1C	ZINC001592335823	1167493644	/nfs/dbraw/zinc/49/36/44/1167493644.db2.gz	JMBLJCUSEVRWGW-UHFFFAOYSA-N	-1	0	324.352	0.688	20	30		DCEDRM
N#Cc1cccc(OCCn2cc(-c3nnn[n-]3)ccc2=O)c1	ZINC001592700077	1167604013	/nfs/dbraw/zinc/60/40/13/1167604013.db2.gz	AHGFSNWTFGGRNZ-UHFFFAOYSA-N	-1	0	308.301	0.979	20	30		DCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001598897031	1168059861	/nfs/dbraw/zinc/05/98/61/1168059861.db2.gz	HQUDBQWGKDIZFV-WDEREUQCSA-N	-1	0	308.334	0.793	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)ncc1C#N	ZINC001600246031	1168146699	/nfs/dbraw/zinc/14/66/99/1168146699.db2.gz	CVVODXMTVGYLDX-UHFFFAOYSA-N	-1	0	302.290	0.324	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CC[C@@](C)(C#N)C2)c(C(=O)[O-])[nH]1	ZINC001600244950	1168147168	/nfs/dbraw/zinc/14/71/68/1168147168.db2.gz	YFCCSJMFTOHJPU-AWEZNQCLSA-N	-1	0	304.306	0.722	20	30		DCEDRM
Cc1ncc(Br)c(C(=O)N(CC#N)CC(=O)[O-])n1	ZINC001600732228	1168265095	/nfs/dbraw/zinc/26/50/95/1168265095.db2.gz	IMZLRAAFLNFKRS-UHFFFAOYSA-N	-1	0	313.111	0.598	20	30		DCEDRM
Cn1c2ccc(C(=O)N(CC#N)CCC(=O)[O-])cc2[nH]c1=O	ZINC001600893571	1168495409	/nfs/dbraw/zinc/49/54/09/1168495409.db2.gz	KEDWXNZNMZPNFM-UHFFFAOYSA-N	-1	0	302.290	0.719	20	30		DCEDRM
Cn1c(CN2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1C(=O)[O-]	ZINC001600914229	1168505367	/nfs/dbraw/zinc/50/53/67/1168505367.db2.gz	DAVSHMKQAPJXHF-YGRLFVJLSA-N	-1	0	323.374	0.093	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C2(O)Cc3ccccc3C2)CC1	ZINC001601050000	1168577487	/nfs/dbraw/zinc/57/74/87/1168577487.db2.gz	ZXFSTSLIKDPJFM-UHFFFAOYSA-N	-1	0	314.341	0.733	20	30		DCEDRM
N#CC1(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CC2(CC2)C1	ZINC001601050619	1168577696	/nfs/dbraw/zinc/57/76/96/1168577696.db2.gz	WWOXWDQYEWWMFH-JTQLQIEISA-N	-1	0	308.334	0.793	20	30		DCEDRM
N#CC1(NC(=O)CN[C@H](C(=O)[O-])c2cccc(O)c2)CCC1	ZINC001601057412	1168578298	/nfs/dbraw/zinc/57/82/98/1168578298.db2.gz	YCROBHHYOKDYNJ-ZDUSSCGKSA-N	-1	0	303.318	0.670	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1	ZINC001601060626	1168578912	/nfs/dbraw/zinc/57/89/12/1168578912.db2.gz	KYRFPBLMSQXCHZ-RYUDHWBXSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CCC(=O)N1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC001601060624	1168579385	/nfs/dbraw/zinc/57/93/85/1168579385.db2.gz	KYRFPBLMSQXCHZ-NWDGAFQWSA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#CC[C@@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)C(F)(F)F	ZINC001601061678	1168579394	/nfs/dbraw/zinc/57/93/94/1168579394.db2.gz	DJOFEUFJJMHXBT-SSDOTTSWSA-N	-1	0	320.231	0.120	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1	ZINC001601063419	1168579703	/nfs/dbraw/zinc/57/97/03/1168579703.db2.gz	VDCIPTOHKYTTBF-UHFFFAOYSA-N	-1	0	314.294	0.173	20	30		DCEDRM
N#CCCCNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001601065862	1168580309	/nfs/dbraw/zinc/58/03/09/1168580309.db2.gz	XWPYUDFTPFWXRY-UHFFFAOYSA-N	-1	0	318.333	0.855	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)COC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001601066723	1168580627	/nfs/dbraw/zinc/58/06/27/1168580627.db2.gz	HCTLHTYXWDOQGF-UHFFFAOYSA-N	-1	0	319.317	0.440	20	30		DCEDRM
N#CCN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1ccccn1	ZINC001601070835	1168580860	/nfs/dbraw/zinc/58/08/60/1168580860.db2.gz	ZZNLYHMFNHADTD-LLVKDONJSA-N	-1	0	316.317	0.261	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1-c1ccno1	ZINC001601071737	1168580951	/nfs/dbraw/zinc/58/09/51/1168580951.db2.gz	BCOQFBGWKHFYHX-UHFFFAOYSA-N	-1	0	321.314	0.940	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CCS(=O)(=O)C1CCCC1	ZINC001601071011	1168581209	/nfs/dbraw/zinc/58/12/09/1168581209.db2.gz	OWGYZWDWMXGLJZ-UHFFFAOYSA-N	-1	0	316.379	0.561	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccccc1Cn1ccnn1	ZINC001601071625	1168581222	/nfs/dbraw/zinc/58/12/22/1168581222.db2.gz	AMVSOIDYEITBSA-UHFFFAOYSA-N	-1	0	313.317	0.767	20	30		DCEDRM
N#CCOc1ccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1	ZINC001601073781	1168581678	/nfs/dbraw/zinc/58/16/78/1168581678.db2.gz	ABTTWNOYXGOSKN-PWSUYJOCSA-N	-1	0	319.317	0.888	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)CCC[C@H]1CCOC1	ZINC001601072825	1168581701	/nfs/dbraw/zinc/58/17/01/1168581701.db2.gz	OBPLXSHQTSJPHJ-NSHDSACASA-N	-1	0	304.368	0.433	20	30		DCEDRM
N#CCOc1ccc(CC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1	ZINC001601073564	1168581842	/nfs/dbraw/zinc/58/18/42/1168581842.db2.gz	CCQMPEFSWOZCHC-HIFRSBDPSA-N	-1	0	318.329	0.568	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)cc1	ZINC001601077621	1168582104	/nfs/dbraw/zinc/58/21/04/1168582104.db2.gz	JBHCXQUNHFCIAG-CQSZACIVSA-N	-1	0	324.358	0.665	20	30		DCEDRM
N#CCN1CCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1	ZINC001601074494	1168582350	/nfs/dbraw/zinc/58/23/50/1168582350.db2.gz	AYKLCCOJLALKNC-UHFFFAOYSA-N	-1	0	318.333	0.823	20	30		DCEDRM
N#CCNC(=O)CNC(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC001601074935	1168582573	/nfs/dbraw/zinc/58/25/73/1168582573.db2.gz	WYSAMQZUXXZPAR-UHFFFAOYSA-N	-1	0	304.306	0.465	20	30		DCEDRM
N#CCNCCCOC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001601074716	1168582582	/nfs/dbraw/zinc/58/25/82/1168582582.db2.gz	OEYAGWZEGGEAGP-OLZOCXBDSA-N	-1	0	309.366	0.218	20	30		DCEDRM
N#CCc1cccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC001601077860	1168583054	/nfs/dbraw/zinc/58/30/54/1168583054.db2.gz	OCXAVWSPKXEURX-NSHDSACASA-N	-1	0	301.302	0.624	20	30		DCEDRM
N#Cc1cc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)co1	ZINC001601085215	1168583395	/nfs/dbraw/zinc/58/33/95/1168583395.db2.gz	WEILTYGYOPFQDD-SECBINFHSA-N	-1	0	301.262	0.528	20	30		DCEDRM
N#Cc1cc(NC(=O)NCCC(=O)NCCC(=O)[O-])ccn1	ZINC001601090760	1168584141	/nfs/dbraw/zinc/58/41/41/1168584141.db2.gz	RTYKMXMIAFFEEC-UHFFFAOYSA-N	-1	0	305.294	0.056	20	30		DCEDRM
N#Cc1ccc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1O	ZINC001601092144	1168584251	/nfs/dbraw/zinc/58/42/51/1168584251.db2.gz	LIYBRSANVQNMAB-NWDGAFQWSA-N	-1	0	304.302	0.731	20	30		DCEDRM
N#Cc1ccc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1O	ZINC001601092961	1168584270	/nfs/dbraw/zinc/58/42/70/1168584270.db2.gz	DOOZFTWOQBXHHJ-LLVKDONJSA-N	-1	0	300.274	0.413	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(F)c1	ZINC001601099541	1168584491	/nfs/dbraw/zinc/58/44/91/1168584491.db2.gz	BTILWAJGTBBTFE-VXGBXAGGSA-N	-1	0	321.308	0.674	20	30		DCEDRM
N#Cc1ccc([C@H](NCc2nnnn2CC2CC2)C(=O)[O-])cc1	ZINC001601096946	1168584550	/nfs/dbraw/zinc/58/45/50/1168584550.db2.gz	QSGSAYZSQHCVRF-AWEZNQCLSA-N	-1	0	312.333	0.870	20	30		DCEDRM
N#Cc1ccc(F)cc1CNCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001601105673	1168585282	/nfs/dbraw/zinc/58/52/82/1168585282.db2.gz	CYPLWOOWJCQHNX-CHWSQXEVSA-N	-1	0	305.309	0.624	20	30		DCEDRM
N#Cc1ccc(F)c(CN2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)c1	ZINC001601103035	1168585601	/nfs/dbraw/zinc/58/56/01/1168585601.db2.gz	ZKOHQKHFZXNTTC-FOGDFJRCSA-N	-1	0	317.276	0.838	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2CCSC[C@@H](C(=O)[O-])C2)nc1	ZINC001601101408	1168585606	/nfs/dbraw/zinc/58/56/06/1168585606.db2.gz	OUSQQRFMEJPLIJ-NSHDSACASA-N	-1	0	320.374	0.912	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN2CC3CC2(C(=O)[O-])C3)cc1	ZINC001601110541	1168586643	/nfs/dbraw/zinc/58/66/43/1168586643.db2.gz	CWONBXGPXUEMBA-UHFFFAOYSA-N	-1	0	320.370	0.881	20	30		DCEDRM
N#Cc1ccc(OCC(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1	ZINC001601110342	1168586892	/nfs/dbraw/zinc/58/68/92/1168586892.db2.gz	UCLMTAXICBSFLG-GXTWGEPZSA-N	-1	0	318.329	0.791	20	30		DCEDRM
N#Cc1cccc(NC(=O)CN2CCC(O)(C(=O)[O-])CC2)c1	ZINC001601120731	1168587780	/nfs/dbraw/zinc/58/77/80/1168587780.db2.gz	JBUOQYSTVYBWGL-UHFFFAOYSA-N	-1	0	303.318	0.408	20	30		DCEDRM
N#Cc1cccc(COC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)c1	ZINC001601123170	1168588008	/nfs/dbraw/zinc/58/80/08/1168588008.db2.gz	MNSRCPPVFDRKLV-CYBMUJFWSA-N	-1	0	316.313	0.925	20	30		DCEDRM
N#Cc1cccc(N2CCN(Cc3cc(C(=O)[O-])no3)CC2)n1	ZINC001601123076	1168588479	/nfs/dbraw/zinc/58/84/79/1168588479.db2.gz	ZCHWPSPAOCATDD-UHFFFAOYSA-N	-1	0	313.317	0.962	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@](O)(C(=O)[O-])C2)c1	ZINC001601124878	1168588787	/nfs/dbraw/zinc/58/87/87/1168588787.db2.gz	WTMXIVGJJGNJRE-WOSRLPQWSA-N	-1	0	300.314	0.710	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001601128565	1168589299	/nfs/dbraw/zinc/58/92/99/1168589299.db2.gz	SEXKDEHXNQHWBE-LBPRGKRZSA-N	-1	0	315.333	0.838	20	30		DCEDRM
N#Cc1cccnc1NCCNS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001601128038	1168589465	/nfs/dbraw/zinc/58/94/65/1168589465.db2.gz	FRXGFTZWZPHIFV-UHFFFAOYSA-N	-1	0	324.362	0.292	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)NC1(C(=O)[O-])CC(CO)C1	ZINC001601125676	1168590387	/nfs/dbraw/zinc/59/03/87/1168590387.db2.gz	LRFASGOWOYVNOQ-UHFFFAOYSA-N	-1	0	304.302	0.279	20	30		DCEDRM
N#Cc1cnn2cc(C[NH2+][C@]3(CC(=O)[O-])CCCOC3)cnc12	ZINC001601131334	1168591596	/nfs/dbraw/zinc/59/15/96/1168591596.db2.gz	WJWCKYFGTLNHDN-HNNXBMFYSA-N	-1	0	315.333	0.714	20	30		DCEDRM
N#Cc1nccnc1NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001601135265	1168593293	/nfs/dbraw/zinc/59/32/93/1168593293.db2.gz	MPMOISFUHNOHPA-ZJUUUORDSA-N	-1	0	315.333	0.520	20	30		DCEDRM
N#Cc1cnn(-c2ccccc2NC(=O)COCC(=O)[O-])c1N	ZINC001601131680	1168593588	/nfs/dbraw/zinc/59/35/88/1168593588.db2.gz	LGYAMDFUOVYLEF-UHFFFAOYSA-N	-1	0	315.289	0.366	20	30		DCEDRM
O=C(C#CC1CC1)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001601223707	1168666441	/nfs/dbraw/zinc/66/64/41/1168666441.db2.gz	JZYFRFJWHNESMY-VXGBXAGGSA-N	-1	0	304.346	0.276	20	30		DCEDRM
O=C(C#CC1CC1)NC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001601224016	1168666479	/nfs/dbraw/zinc/66/64/79/1168666479.db2.gz	PCHWSWDBFFCCBP-CHWSQXEVSA-N	-1	0	304.346	0.228	20	30		DCEDRM
O=C(C#CC1CC1)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001601223791	1168666782	/nfs/dbraw/zinc/66/67/82/1168666782.db2.gz	LREXMERYVJXVHA-SYQHCUMBSA-N	-1	0	318.373	0.664	20	30		DCEDRM
O=C([O-])C[C@@H]1CCCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001601949984	1168945107	/nfs/dbraw/zinc/94/51/07/1168945107.db2.gz	FDYHYIZSIVDNCG-PQJBRBTKSA-N	-1	0	321.333	0.369	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1C(=O)[O-]	ZINC001602671453	1169156013	/nfs/dbraw/zinc/15/60/13/1169156013.db2.gz	TUWLYGMCTLXTPS-ZETCQYMHSA-N	-1	0	303.723	0.311	20	30		DCEDRM
C#C[C@H]1COCCN1S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001602681785	1169156656	/nfs/dbraw/zinc/15/66/56/1169156656.db2.gz	WXLCFKDNSWBEAI-ZDUSSCGKSA-N	-1	0	309.343	0.549	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)C1CCOCC1	ZINC001602678175	1169156668	/nfs/dbraw/zinc/15/66/68/1169156668.db2.gz	KIBXDBLYIYAIKH-GFCCVEGCSA-N	-1	0	324.358	0.487	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)[C@H]1CCCO1	ZINC001602678709	1169156861	/nfs/dbraw/zinc/15/68/61/1169156861.db2.gz	PDABWBYWSCWNRV-GHMZBOCLSA-N	-1	0	301.364	0.342	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1cccc(S(=O)(=O)CC)c1)C(=O)[O-]	ZINC001602686921	1169158533	/nfs/dbraw/zinc/15/85/33/1169158533.db2.gz	BCZLLUABASOEGW-CYBMUJFWSA-N	-1	0	323.370	0.615	20	30		DCEDRM
C#CC[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-])c1ccccc1	ZINC001602684842	1169158720	/nfs/dbraw/zinc/15/87/20/1169158720.db2.gz	HMOCLTDUCXWDIZ-MCIONIFRSA-N	-1	0	314.341	0.704	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2CC)C(=O)[O-]	ZINC001602693606	1169162970	/nfs/dbraw/zinc/16/29/70/1169162970.db2.gz	ZDXVXRCXCZATNG-SNVBAGLBSA-N	-1	0	301.302	0.968	20	30		DCEDRM
C#CCN1CCC(NS(=O)(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC001602721104	1169170124	/nfs/dbraw/zinc/17/01/24/1169170124.db2.gz	VVWYSBDUBGWBHK-UHFFFAOYSA-N	-1	0	322.386	0.761	20	30		DCEDRM
C#CCN(C1CC1)S(=O)(=O)c1ccsc1-c1nnn[n-]1	ZINC001602719965	1169170806	/nfs/dbraw/zinc/17/08/06/1169170806.db2.gz	MMLPUEOKKWZMAU-UHFFFAOYSA-N	-1	0	309.376	0.715	20	30		DCEDRM
C#CCOCCC(=O)N(C)[C@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001602727923	1169174413	/nfs/dbraw/zinc/17/44/13/1169174413.db2.gz	HIVGCGLCHMWOTM-LLVKDONJSA-N	-1	0	320.349	0.474	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC/C=C\CNc1ncc(C(=O)[O-])cn1	ZINC001602727010	1169175126	/nfs/dbraw/zinc/17/51/26/1169175126.db2.gz	ZDCDOZQQKBQEEP-DOGVGXBMSA-N	-1	0	318.333	0.297	20	30		DCEDRM
C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cc1	ZINC001602739802	1169176188	/nfs/dbraw/zinc/17/61/88/1169176188.db2.gz	NQTWWPPSXVKLGP-KBPBESRZSA-N	-1	0	312.325	0.329	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N1CC(O)(C(=O)[O-])C1	ZINC001602733987	1169176527	/nfs/dbraw/zinc/17/65/27/1169176527.db2.gz	DWAPNCHVTZHZNY-UHFFFAOYSA-N	-1	0	304.302	0.040	20	30		DCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](C(=O)OC)CC[C@H]2C(=O)[O-])nc1	ZINC001602740132	1169176584	/nfs/dbraw/zinc/17/65/84/1169176584.db2.gz	XUVPLRXECDKUMS-AAEUAGOBSA-N	-1	0	316.313	0.541	20	30		DCEDRM
C#Cc1ccc(C(=O)NCCNc2ncc(C(=O)[O-])cn2)nc1	ZINC001602740107	1169176731	/nfs/dbraw/zinc/17/67/31/1169176731.db2.gz	WLZQEPPFBPXUIN-UHFFFAOYSA-N	-1	0	311.301	0.393	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001602747314	1169177369	/nfs/dbraw/zinc/17/73/69/1169177369.db2.gz	NYJLKRPYJSFZTD-CYDGBPFRSA-N	-1	0	312.366	0.851	20	30		DCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001602749186	1169177765	/nfs/dbraw/zinc/17/77/65/1169177765.db2.gz	CZCYROAAHQRMDR-SNVBAGLBSA-N	-1	0	314.363	0.694	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(=O)[O-]	ZINC001602750092	1169179468	/nfs/dbraw/zinc/17/94/68/1169179468.db2.gz	LVMGTOBPQMOUSZ-IMSIIYSGSA-N	-1	0	312.391	0.976	20	30		DCEDRM
C=C(C)CN(C)c1nnc(-c2c[nH]nc2-c2nnn[n-]2)n1CC	ZINC001602758493	1169180002	/nfs/dbraw/zinc/18/00/02/1169180002.db2.gz	JRLQELOXJZHRCO-UHFFFAOYSA-N	-1	0	314.357	0.881	20	30		DCEDRM
C=C(C)COCCn1nnnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001602764961	1169180649	/nfs/dbraw/zinc/18/06/49/1169180649.db2.gz	ZTOVVAYFJVBHHM-QWHCGFSZSA-N	-1	0	321.381	0.813	20	30		DCEDRM
C=C(C)Cn1c(C[C@@H](C)O)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001602771585	1169183085	/nfs/dbraw/zinc/18/30/85/1169183085.db2.gz	ZOOXHUQIUSAPGV-UTUOFQBUSA-N	-1	0	324.381	0.456	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(CCC(=O)[O-])CC(=O)OC(C)(C)C	ZINC001602809590	1169187017	/nfs/dbraw/zinc/18/70/17/1169187017.db2.gz	JULOXCRWQCXSSM-HNNXBMFYSA-N	-1	0	315.366	0.959	20	30		DCEDRM
C=CCCC[C@@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001602834389	1169189863	/nfs/dbraw/zinc/18/98/63/1169189863.db2.gz	RNSMAADKWHUXOW-ZJUUUORDSA-N	-1	0	304.358	0.880	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1	ZINC001602836085	1169190986	/nfs/dbraw/zinc/19/09/86/1169190986.db2.gz	DYRGQQVGAZILON-JTQLQIEISA-N	-1	0	322.365	0.088	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)[C@]1(C)CCCS1(=O)=O)C(=O)[O-]	ZINC001602862450	1169193969	/nfs/dbraw/zinc/19/39/69/1169193969.db2.gz	FIAILEPCIRMEPV-MFKMUULPSA-N	-1	0	303.380	0.879	20	30		DCEDRM
C=CCCCNC(=O)C(=O)NCc1cc(C(=O)[O-])c(C)n1C	ZINC001602874896	1169198554	/nfs/dbraw/zinc/19/85/54/1169198554.db2.gz	IQAYOIRLNSNQNZ-UHFFFAOYSA-N	-1	0	307.350	0.730	20	30		DCEDRM
C=CCN(CC(=O)OCC)S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001602887625	1169198733	/nfs/dbraw/zinc/19/87/33/1169198733.db2.gz	DEVKBHJIUJVXDR-UHFFFAOYSA-N	-1	0	318.307	0.113	20	30		DCEDRM
C=CCNC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC001602901437	1169201624	/nfs/dbraw/zinc/20/16/24/1169201624.db2.gz	KYJJDTOYHFVUOK-UHFFFAOYSA-N	-1	0	319.317	0.132	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc2c1oc(=O)n2C)C(=O)[O-]	ZINC001602913138	1169202537	/nfs/dbraw/zinc/20/25/37/1169202537.db2.gz	JNVQOCCSMYGLGC-SNVBAGLBSA-N	-1	0	320.301	0.517	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(C)nc2n[nH]c(C)c21)C(=O)[O-]	ZINC001602908992	1169202847	/nfs/dbraw/zinc/20/28/47/1169202847.db2.gz	KDLWWVIAXXQRSG-NSHDSACASA-N	-1	0	318.333	0.960	20	30		DCEDRM
C=CCOC[C@H](NC(=O)CNC(=O)c1ccsc1)C(=O)[O-]	ZINC001602909469	1169203035	/nfs/dbraw/zinc/20/30/35/1169203035.db2.gz	XRHWOPNVHJGTPF-JTQLQIEISA-N	-1	0	312.347	0.250	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccncc1)C(=O)[O-]	ZINC001602909379	1169203128	/nfs/dbraw/zinc/20/31/28/1169203128.db2.gz	UACRMJFECGHBGJ-RDBSUJKOSA-N	-1	0	320.345	0.931	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C(F)F)ncn1)C(=O)[O-]	ZINC001602908932	1169203533	/nfs/dbraw/zinc/20/35/33/1169203533.db2.gz	IPBFCKSKRQGLPW-SECBINFHSA-N	-1	0	301.249	0.800	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(CO)cc1OC)C(=O)[O-]	ZINC001602913532	1169204016	/nfs/dbraw/zinc/20/40/16/1169204016.db2.gz	URHQZBYWZSUUMS-LBPRGKRZSA-N	-1	0	309.318	0.573	20	30		DCEDRM
C=CCS(=O)(=O)CCNC(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001602925188	1169208871	/nfs/dbraw/zinc/20/88/71/1169208871.db2.gz	VUTKIMQVXHVRSV-JTQLQIEISA-N	-1	0	302.352	0.060	20	30		DCEDRM
C=CCc1ccc(OCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c(OC)c1	ZINC001602927021	1169209094	/nfs/dbraw/zinc/20/90/94/1169209094.db2.gz	WONXHNXDQIVRAM-BMIGLBTASA-N	-1	0	323.345	0.753	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC/C=C/CNc1ncccc1-c1nn[nH]n1	ZINC001602983625	1169223772	/nfs/dbraw/zinc/22/37/72/1169223772.db2.gz	KXVSSOBTYSCKFU-PBKGFPTLSA-N	-1	0	312.337	0.506	20	30		DCEDRM
C[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)n1cnc(-c2nnn[n-]2)n1	ZINC001602998868	1169228775	/nfs/dbraw/zinc/22/87/75/1169228775.db2.gz	CJSRBRVLAYVBOA-UWVGGRQHSA-N	-1	0	315.341	0.171	20	30		DCEDRM
C[C@@H](C(=O)Nc1cc(CC#N)ccn1)n1cnc(-c2nnn[n-]2)n1	ZINC001603025836	1169235243	/nfs/dbraw/zinc/23/52/43/1169235243.db2.gz	WWSPAISPLPQMAY-QMMMGPOBSA-N	-1	0	324.308	0.119	20	30		DCEDRM
CC(C)(C#N)CNS(=O)(=O)c1ccsc1-c1nnn[n-]1	ZINC001603034983	1169236117	/nfs/dbraw/zinc/23/61/17/1169236117.db2.gz	ZRRJLOMGWQMQEV-UHFFFAOYSA-N	-1	0	312.380	0.756	20	30		DCEDRM
CC(C)(C)C[C@H](O)CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001603070778	1169244363	/nfs/dbraw/zinc/24/43/63/1169244363.db2.gz	JGJBRWZFCBYCCA-SSDOTTSWSA-N	-1	0	318.341	0.587	20	30		DCEDRM
C[C@@H](C#N)C(=O)NC[C@@H](Nc1ncc(C(=O)[O-])cn1)C1CC1	ZINC001603129942	1169250106	/nfs/dbraw/zinc/25/01/06/1169250106.db2.gz	PORURHZFHVEXIM-GZMMTYOYSA-N	-1	0	303.322	0.641	20	30		DCEDRM
C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1F)n1cnc(C#N)n1	ZINC001603154146	1169259621	/nfs/dbraw/zinc/25/96/21/1169259621.db2.gz	YFLLDNOXDUIUJF-UFBFGSQYSA-N	-1	0	317.280	0.792	20	30		DCEDRM
CC(C)C(=O)NCCCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001603196321	1169272491	/nfs/dbraw/zinc/27/24/91/1169272491.db2.gz	DMTSUAOBSLKLAY-UHFFFAOYSA-N	-1	0	315.341	0.103	20	30		DCEDRM
CC(C)(C(N)=O)N1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001603295697	1169289429	/nfs/dbraw/zinc/28/94/29/1169289429.db2.gz	KAQNUXVZGXQFNG-UHFFFAOYSA-N	-1	0	317.349	0.037	20	30		DCEDRM
CC(C)COC1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1	ZINC001603299931	1169289664	/nfs/dbraw/zinc/28/96/64/1169289664.db2.gz	ZMTKADYWKBYGJC-UHFFFAOYSA-N	-1	0	300.326	0.390	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001603295940	1169289744	/nfs/dbraw/zinc/28/97/44/1169289744.db2.gz	XORDWKNCFQVFKH-NEPJUHHUSA-N	-1	0	320.389	0.912	20	30		DCEDRM
CC(C)C#CC(=O)N(C)[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001603699733	1169365942	/nfs/dbraw/zinc/36/59/42/1169365942.db2.gz	AZUIITGJVSRZFA-LBPRGKRZSA-N	-1	0	316.361	0.871	20	30		DCEDRM
CC1(C#N)CCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1	ZINC001604483367	1169599943	/nfs/dbraw/zinc/59/99/43/1169599943.db2.gz	QQRHKYLXYDOTOA-LLVKDONJSA-N	-1	0	305.334	0.428	20	30		DCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCC1CCC(C#N)CC1	ZINC001604627376	1169637572	/nfs/dbraw/zinc/63/75/72/1169637572.db2.gz	QPRINSSOQJYYEY-YWPUVAFDSA-N	-1	0	321.377	0.754	20	30		DCEDRM
C[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)CN1C(=O)C#CC1CC1	ZINC001604675967	1169651183	/nfs/dbraw/zinc/65/11/83/1169651183.db2.gz	CYRQXKZISNOEMG-CMPLNLGQSA-N	-1	0	314.345	0.411	20	30		DCEDRM
CC[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)N1CCCC1=O	ZINC001604865235	1169720441	/nfs/dbraw/zinc/72/04/41/1169720441.db2.gz	WLMHLMCUXCCNEM-NSHDSACASA-N	-1	0	307.350	0.604	20	30		DCEDRM
CCCC[C@H](C(=O)[O-])N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC001605236431	1169880167	/nfs/dbraw/zinc/88/01/67/1169880167.db2.gz	ZVIOXLOTAXEQKN-NQBHXWOUSA-N	-1	0	300.380	0.500	20	30		DCEDRM
CCCC[C@@H](C(=O)[O-])N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC001605236432	1169880691	/nfs/dbraw/zinc/88/06/91/1169880691.db2.gz	ZVIOXLOTAXEQKN-NTZNESFSSA-N	-1	0	300.380	0.500	20	30		DCEDRM
COc1ccc(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cc1	ZINC001605269615	1169883939	/nfs/dbraw/zinc/88/39/39/1169883939.db2.gz	ILCKAPAOLDYXHX-UHFFFAOYSA-N	-1	0	324.304	0.651	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12	ZINC001605438802	1169921632	/nfs/dbraw/zinc/92/16/32/1169921632.db2.gz	PCTFFVGROFVLAB-WHOHXGKFSA-N	-1	0	315.395	0.556	20	30		DCEDRM
CC[N@H+](Cc1cc(=O)n2[n-]cc(C#N)c2n1)C(C)(C)C(=O)[O-]	ZINC001605455928	1169928891	/nfs/dbraw/zinc/92/88/91/1169928891.db2.gz	MCXKSLDVAGZHEI-UHFFFAOYSA-N	-1	0	303.322	0.992	20	30		DCEDRM
CCn1c2ccc(C(=O)N(CC#N)CC(=O)[O-])cc2[nH]c1=O	ZINC001605898880	1170024323	/nfs/dbraw/zinc/02/43/23/1170024323.db2.gz	FIEQPLCZBJSOCF-UHFFFAOYSA-N	-1	0	302.290	0.812	20	30		DCEDRM
CCn1cc(C#N)c(=O)n(Cc2cccc(C(=O)[O-])c2C#N)c1=O	ZINC001605915281	1170027032	/nfs/dbraw/zinc/02/70/32/1170027032.db2.gz	JEEOHDZDZLMIAB-UHFFFAOYSA-N	-1	0	324.296	0.520	20	30		DCEDRM
Cc1cccnc1C=CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001605947527	1170032382	/nfs/dbraw/zinc/03/23/82/1170032382.db2.gz	QHJKLECTECJTHI-SNAWJCMRSA-N	-1	0	321.304	0.817	20	30		DCEDRM
CN(CCCNc1ncccc1C#N)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001606122554	1170085814	/nfs/dbraw/zinc/08/58/14/1170085814.db2.gz	OVVPRNULHNBFRR-RYUDHWBXSA-N	-1	0	302.334	0.934	20	30		DCEDRM
CN1C[C@@H](C(=O)[O-])N(Cc2cc(Cl)cc(C#N)c2)CC1=O	ZINC001606203346	1170110715	/nfs/dbraw/zinc/11/07/15/1170110715.db2.gz	LAFQDGAFMHZZLW-LBPRGKRZSA-N	-1	0	307.737	0.939	20	30		DCEDRM
N#CC1(CNc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1	ZINC001606343894	1170163715	/nfs/dbraw/zinc/16/37/15/1170163715.db2.gz	UUHTXUBSOMANFF-UHFFFAOYSA-N	-1	0	319.350	0.230	20	30		DCEDRM
N#CCC1(CNS(=O)(=O)c2ccsc2-c2nnn[n-]2)CC1	ZINC001606345337	1170166107	/nfs/dbraw/zinc/16/61/07/1170166107.db2.gz	CITXCWOOEBYLOU-UHFFFAOYSA-N	-1	0	324.391	0.900	20	30		DCEDRM
N#Cc1nc(NC(=O)C=Cc2cncc(O)c2)[n-]c1-c1nn[nH]n1	ZINC001606354458	1170167746	/nfs/dbraw/zinc/16/77/46/1170167746.db2.gz	IFICFWIOXDQUDE-UPHRSURJSA-N	-1	0	323.276	0.214	20	30		DCEDRM
COC(=O)[C@H]1CN(C(=O)c2cc(C#N)[nH]c2C)C[C@H]1C(=O)[O-]	ZINC001606418966	1170193153	/nfs/dbraw/zinc/19/31/53/1170193153.db2.gz	CLKWNMAPZPUXON-MNOVXSKESA-N	-1	0	305.290	0.141	20	30		DCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2sccc2C#N)C1	ZINC001606697168	1170265421	/nfs/dbraw/zinc/26/54/21/1170265421.db2.gz	SVDBWOMPGGPJOO-ZDUSSCGKSA-N	-1	0	323.330	0.260	20	30		DCEDRM
COCCN(CCC#N)S(=O)(=O)NC1(CC(=O)[O-])CCC1	ZINC001606884758	1170322354	/nfs/dbraw/zinc/32/23/54/1170322354.db2.gz	NLEHZVXDXWHRLA-UHFFFAOYSA-N	-1	0	319.383	0.080	20	30		DCEDRM
COc1c(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cccc1C(=O)[O-]	ZINC001607024545	1170358974	/nfs/dbraw/zinc/35/89/74/1170358974.db2.gz	MPKRLWHEYTXEJB-VIFPVBQESA-N	-1	0	319.317	0.950	20	30		DCEDRM
Cc1nnc2n1C[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)CC2	ZINC001608017538	1170550195	/nfs/dbraw/zinc/55/01/95/1170550195.db2.gz	CCSIBFQZAURVNM-LLVKDONJSA-N	-1	0	317.349	0.366	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC001608093469	1170569856	/nfs/dbraw/zinc/56/98/56/1170569856.db2.gz	GYCNWZQSZJUDKC-PWSUYJOCSA-N	-1	0	305.334	0.896	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)CSc2cccc[n+]2[O-])CC1	ZINC001608171834	1170609163	/nfs/dbraw/zinc/60/91/63/1170609163.db2.gz	RTKHBNGSHGPDBZ-UHFFFAOYSA-N	-1	0	321.358	0.629	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CCCC1	ZINC001608175916	1170609251	/nfs/dbraw/zinc/60/92/51/1170609251.db2.gz	QKGPYBNRSIIAHZ-GHMZBOCLSA-N	-1	0	316.379	0.168	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC001608184219	1170611639	/nfs/dbraw/zinc/61/16/39/1170611639.db2.gz	SINCDIQLDJRFTH-UHFFFAOYSA-N	-1	0	309.285	0.794	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CCNC(=O)c1cccs1	ZINC001608185049	1170611686	/nfs/dbraw/zinc/61/16/86/1170611686.db2.gz	ADDIMUBYCSASDJ-UHFFFAOYSA-N	-1	0	309.347	0.695	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])cc1	ZINC001608189866	1170612676	/nfs/dbraw/zinc/61/26/76/1170612676.db2.gz	QDJILDXPVGAQNZ-NSHDSACASA-N	-1	0	300.311	0.844	20	30		DCEDRM
N#CCN1CCC(NC(=O)Nc2cccc(C(=O)[O-])n2)CC1	ZINC001608187709	1170612875	/nfs/dbraw/zinc/61/28/75/1170612875.db2.gz	CHRKASBXSWBYRZ-UHFFFAOYSA-N	-1	0	303.322	0.889	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001608189338	1170612924	/nfs/dbraw/zinc/61/29/24/1170612924.db2.gz	NRFBIRSKLIDTQJ-AWEZNQCLSA-N	-1	0	312.329	0.830	20	30		DCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1	ZINC001608202700	1170614973	/nfs/dbraw/zinc/61/49/73/1170614973.db2.gz	VPXLZGFDZCSQKS-ZDUSSCGKSA-N	-1	0	312.329	0.775	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cn1	ZINC001608206606	1170615239	/nfs/dbraw/zinc/61/52/39/1170615239.db2.gz	WZSUTSXLVQGAGA-QWHCGFSZSA-N	-1	0	300.318	0.323	20	30		DCEDRM
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)NCCCC(=O)[O-]	ZINC001608213497	1170617023	/nfs/dbraw/zinc/61/70/23/1170617023.db2.gz	OCSLRVPLNXMGLZ-CYBMUJFWSA-N	-1	0	315.329	0.643	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)CCn2ccnn2)C(=O)[O-])c1	ZINC001608216815	1170617118	/nfs/dbraw/zinc/61/71/18/1170617118.db2.gz	WEYKPXCIHUCVBO-CYBMUJFWSA-N	-1	0	300.274	0.909	20	30		DCEDRM
N#Cc1ccsc1NC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001608222563	1170618406	/nfs/dbraw/zinc/61/84/06/1170618406.db2.gz	DVODWWQEUAKTDA-SECBINFHSA-N	-1	0	322.346	0.817	20	30		DCEDRM
N#Cc1ccncc1C(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001608220679	1170618468	/nfs/dbraw/zinc/61/84/68/1170618468.db2.gz	JIUHLLKOBPKDGV-GFCCVEGCSA-N	-1	0	317.301	0.576	20	30		DCEDRM
N#Cc1ccsc1NC(=O)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001608222637	1170618808	/nfs/dbraw/zinc/61/88/08/1170618808.db2.gz	GFNXTYRIQKWYSV-BDAKNGLRSA-N	-1	0	307.331	0.928	20	30		DCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1	ZINC001609019467	1170784991	/nfs/dbraw/zinc/78/49/91/1170784991.db2.gz	UVJAHDYWHZMZRW-MRVPVSSYSA-N	-1	0	309.326	0.648	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)[C@H]1CCCO1	ZINC001609058171	1170794514	/nfs/dbraw/zinc/79/45/14/1170794514.db2.gz	QZPRVNGLTUQHGD-ZYHUDNBSSA-N	-1	0	310.331	0.239	20	30		DCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC001609054452	1170794806	/nfs/dbraw/zinc/79/48/06/1170794806.db2.gz	KRRMMZAAPAHQLU-GWCFXTLKSA-N	-1	0	316.313	0.345	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CSCN1C(=O)C(C)(C)C)C(=O)[O-]	ZINC001609076519	1170800346	/nfs/dbraw/zinc/80/03/46/1170800346.db2.gz	ORCXFVRYWNOSGK-VHSXEESVSA-N	-1	0	312.391	0.527	20	30		DCEDRM
CN(C(=O)Cn1c(N)nc(-c2nnn[n-]2)c1C#N)c1ccccc1	ZINC001609261345	1170902067	/nfs/dbraw/zinc/90/20/67/1170902067.db2.gz	AIGZHBJJEFGAFA-UHFFFAOYSA-N	-1	0	323.320	0.180	20	30		DCEDRM
C=CC[C@@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccncc1	ZINC001609320377	1170934427	/nfs/dbraw/zinc/93/44/27/1170934427.db2.gz	IEFYTXUCEGEBRZ-QWHCGFSZSA-N	-1	0	317.345	0.748	20	30		DCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC001609320545	1170935303	/nfs/dbraw/zinc/93/53/03/1170935303.db2.gz	QISAQKGGXVQEKY-MRVPVSSYSA-N	-1	0	303.336	0.756	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1c(CC)c(CC)n[nH]c1=O)C(=O)[O-]	ZINC001609442770	1170978544	/nfs/dbraw/zinc/97/85/44/1170978544.db2.gz	FJASUSVCONYCIG-NSHDSACASA-N	-1	0	323.349	0.693	20	30		DCEDRM
CC(C)[C@H](NC(=O)COC(=O)c1cccc(C#N)n1)C(=O)[O-]	ZINC001609717109	1171074066	/nfs/dbraw/zinc/07/40/66/1171074066.db2.gz	IWQCXSCHAFKTSC-LBPRGKRZSA-N	-1	0	305.290	0.335	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(C#N)c1	ZINC001609835581	1171100548	/nfs/dbraw/zinc/10/05/48/1171100548.db2.gz	RHRXROCQNLPSCD-CABZTGNLSA-N	-1	0	301.302	0.818	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)Cn1nc(C(=O)OC)cc1C(=O)[O-]	ZINC001609994223	1171133433	/nfs/dbraw/zinc/13/34/33/1171133433.db2.gz	VJIRDAYEERODJF-VIFPVBQESA-N	-1	0	322.321	0.376	20	30		DCEDRM
COC(=O)[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@H](C(=O)[O-])C1	ZINC001610169345	1171184771	/nfs/dbraw/zinc/18/47/71/1171184771.db2.gz	ORMQAOYDBIKHJT-KGLIPLIRSA-N	-1	0	315.325	0.903	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)C#Cc1ccccc1	ZINC001610177220	1171187160	/nfs/dbraw/zinc/18/71/60/1171187160.db2.gz	UYAYJZJHOGDKJL-KBPBESRZSA-N	-1	0	315.325	0.903	20	30		DCEDRM
COc1ccc(CN2CCC[C@H]2C(=O)NCC(=O)[O-])cc1C#N	ZINC001610332419	1171220564	/nfs/dbraw/zinc/22/05/64/1171220564.db2.gz	IMVDXGQSSSTNKB-ZDUSSCGKSA-N	-1	0	317.345	0.732	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC001610432660	1171235102	/nfs/dbraw/zinc/23/51/02/1171235102.db2.gz	LSEZPHATYOLZIW-AWEZNQCLSA-N	-1	0	324.358	0.779	20	30		DCEDRM
Cc1cc(NC(=O)C(=O)N2CCC(C#N)CC2)c(C(=O)[O-])[nH]1	ZINC001610468851	1171239306	/nfs/dbraw/zinc/23/93/06/1171239306.db2.gz	DLIKCJYJTKSZAF-UHFFFAOYSA-N	-1	0	304.306	0.722	20	30		DCEDRM
Cc1oc(CNC(=O)N2CC[C@](O)(CC#N)C2)cc1C(=O)[O-]	ZINC001610584984	1171260843	/nfs/dbraw/zinc/26/08/43/1171260843.db2.gz	FVVJWWQSTKPJOT-CQSZACIVSA-N	-1	0	307.306	0.846	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1	ZINC001610620912	1171271526	/nfs/dbraw/zinc/27/15/26/1171271526.db2.gz	QPYLWYSXEVBJSH-UHFFFAOYSA-N	-1	0	310.331	0.175	20	30		DCEDRM
N#CCOc1cccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1	ZINC001610623223	1171271737	/nfs/dbraw/zinc/27/17/37/1171271737.db2.gz	KSVOYIFTWMYKMH-PWSUYJOCSA-N	-1	0	319.317	0.888	20	30		DCEDRM
CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001628881278	1171537126	/nfs/dbraw/zinc/53/71/26/1171537126.db2.gz	SVROERLZWZQQCR-HNNXBMFYSA-N	-1	0	313.317	0.688	20	30		DCEDRM
CSCCCCCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001632774476	1171623277	/nfs/dbraw/zinc/62/32/77/1171623277.db2.gz	MACXCEFMOPDUBZ-UHFFFAOYSA-N	-1	0	324.406	0.860	20	30		DCEDRM
CNc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)N(C)C	ZINC000048868825	1171675151	/nfs/dbraw/zinc/67/51/51/1171675151.db2.gz	GTYJTWYGNDPQAI-UHFFFAOYSA-N	-1	0	302.312	0.748	20	30		DCEDRM
CCOCCOC[C@@H](O)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001635647461	1171709977	/nfs/dbraw/zinc/70/99/77/1171709977.db2.gz	JMQCDNDXMFFJRU-LBPRGKRZSA-N	-1	0	323.349	0.111	20	30		DCEDRM
C=CCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC001635640412	1171710153	/nfs/dbraw/zinc/71/01/53/1171710153.db2.gz	JPZZEISYWRRLBL-SNVBAGLBSA-N	-1	0	309.347	0.459	20	30		DCEDRM
C#C[C@@H](CO)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-]	ZINC001641574278	1171920526	/nfs/dbraw/zinc/92/05/26/1171920526.db2.gz	JAFVHJXBHRGRSL-JTQLQIEISA-N	-1	0	305.721	0.955	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)C(=O)OC	ZINC001642415013	1171943584	/nfs/dbraw/zinc/94/35/84/1171943584.db2.gz	JOIBGMULGXJOFL-NSHDSACASA-N	-1	0	315.285	0.325	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)c2nc3ncc(CCO)cn3n2)c1	ZINC001642628601	1171952799	/nfs/dbraw/zinc/95/27/99/1171952799.db2.gz	OQCWWQUQKJQHOG-UHFFFAOYSA-N	-1	0	324.300	0.255	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2nc(-c3ccccc3F)no2)c1=O	ZINC001644021911	1171994619	/nfs/dbraw/zinc/99/46/19/1171994619.db2.gz	JSELQWMIZSEMLF-UHFFFAOYSA-N	-1	0	313.248	0.646	20	30		DCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1nc(=O)o[n-]1	ZINC001645640316	1172086179	/nfs/dbraw/zinc/08/61/79/1172086179.db2.gz	WPLKNIUAJSJZHR-UHFFFAOYSA-N	-1	0	302.290	0.708	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCC2(O)CCOCC2)cc1C#N	ZINC001645690738	1172103991	/nfs/dbraw/zinc/10/39/91/1172103991.db2.gz	UZRQKNVUPJYFQH-UHFFFAOYSA-N	-1	0	323.374	0.652	20	30		DCEDRM
CCN(CC)S(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC001645943766	1172190413	/nfs/dbraw/zinc/19/04/13/1172190413.db2.gz	YYMXSOONEZSYNM-UHFFFAOYSA-N	-1	0	303.384	0.400	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)c2cn(C)nn2)n1	ZINC001647196903	1172734502	/nfs/dbraw/zinc/73/45/02/1172734502.db2.gz	MZJLTTBIKXESAJ-QMMMGPOBSA-N	-1	0	305.319	0.613	20	30		DCEDRM
O=C1C=COC2(CCN(Cc3cc(=O)n4[n-]ccc4n3)CC2)C1	ZINC001650060197	1173413708	/nfs/dbraw/zinc/41/37/08/1173413708.db2.gz	MOVQRSCXHYUVJM-UHFFFAOYSA-N	-1	0	314.345	0.860	20	30		DCEDRM
CC1(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCOCC1	ZINC001650220222	1173520327	/nfs/dbraw/zinc/52/03/27/1173520327.db2.gz	TZXHETDYEWNUJY-UHFFFAOYSA-N	-1	0	318.333	0.021	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@@H](C[C@@H]3CCOC3)C2)c(C#N)c1=O	ZINC001650226925	1173524366	/nfs/dbraw/zinc/52/43/66/1173524366.db2.gz	HLROEBWPQCPQPF-RYUDHWBXSA-N	-1	0	318.377	0.588	20	30		DCEDRM
CN(CCc1nc2ccccc2[nH]1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001651978132	1173759401	/nfs/dbraw/zinc/75/94/01/1173759401.db2.gz	NOAVUOFTDIXVJQ-UHFFFAOYSA-N	-1	0	324.344	0.500	20	30		DCEDRM
Cn1cc(-c2nc(Cn3c(=O)[n-]cc(C#N)c3=O)cs2)cn1	ZINC001652908727	1173778057	/nfs/dbraw/zinc/77/80/57/1173778057.db2.gz	INWFXDJBDGSSKI-UHFFFAOYSA-N	-1	0	314.330	0.314	20	30		DCEDRM
N#CCNCC1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCCC1	ZINC001665933860	1174575316	/nfs/dbraw/zinc/57/53/16/1174575316.db2.gz	PLLQESUGQRIRPG-UHFFFAOYSA-N	-1	0	322.369	0.012	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2CC(NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001677782230	1175599366	/nfs/dbraw/zinc/59/93/66/1175599366.db2.gz	QVUCKXGNVIVPAZ-UHFFFAOYSA-N	-1	0	318.377	0.708	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)CSCC#N)C2)c1[O-]	ZINC001687892244	1176298306	/nfs/dbraw/zinc/29/83/06/1176298306.db2.gz	IWFYOPNUMUTVME-SECBINFHSA-N	-1	0	323.378	0.011	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1cc(Cl)ccc1C#N	ZINC000130100052	1177360715	/nfs/dbraw/zinc/36/07/15/1177360715.db2.gz	YMPLJYMGAHGOBI-UHFFFAOYSA-N	-1	0	308.768	0.955	20	30		DCEDRM
COCC#CCN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C	ZINC001692352593	1177492469	/nfs/dbraw/zinc/49/24/69/1177492469.db2.gz	FJGNPEGUYVECGU-NEPJUHHUSA-N	-1	0	306.366	0.266	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001699711544	1178259768	/nfs/dbraw/zinc/25/97/68/1178259768.db2.gz	PKFPLVNMNIITFW-SNVBAGLBSA-N	-1	0	309.370	0.134	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC001707067027	1180408728	/nfs/dbraw/zinc/40/87/28/1180408728.db2.gz	XPBLGALMMNNNFY-TXEJJXNPSA-N	-1	0	307.398	0.449	20	30		DCEDRM
CC(C)(C)C#CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001714920380	1181601302	/nfs/dbraw/zinc/60/13/02/1181601302.db2.gz	HYRPJNKMQBETIZ-LLVKDONJSA-N	-1	0	305.382	0.640	20	30		DCEDRM
C=CCOCC(=O)NCC1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001718065399	1183126798	/nfs/dbraw/zinc/12/67/98/1183126798.db2.gz	LKRXFDQTGHHBPV-UHFFFAOYSA-N	-1	0	322.365	0.251	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)N(C)C[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001733033609	1186110620	/nfs/dbraw/zinc/11/06/20/1186110620.db2.gz	NAKPBOKCFASVRG-GXSJLCMTSA-N	-1	0	323.397	0.165	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H]1CCN1CC#N	ZINC001733237504	1186197324	/nfs/dbraw/zinc/19/73/24/1186197324.db2.gz	NTOOOLRCAJTKLF-QMMMGPOBSA-N	-1	0	306.288	0.158	20	30		DCEDRM
CC#CCCCC(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001734120074	1186551845	/nfs/dbraw/zinc/55/18/45/1186551845.db2.gz	CIZCHQXNGPLMBB-NSHDSACASA-N	-1	0	305.382	0.640	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCCN(CC)C(=O)c1n[nH]c(C)c1[O-]	ZINC001737794843	1187408293	/nfs/dbraw/zinc/40/82/93/1187408293.db2.gz	QPLGPFDRLCYBBR-HNNXBMFYSA-N	-1	0	324.381	0.329	20	30		DCEDRM
CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)C#CC1CC1	ZINC001737857527	1187418037	/nfs/dbraw/zinc/41/80/37/1187418037.db2.gz	IKTLSKPSSQUECJ-UHFFFAOYSA-N	-1	0	318.377	0.806	20	30		DCEDRM
N#CCSCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001755028172	1189000523	/nfs/dbraw/zinc/00/05/23/1189000523.db2.gz	LBPOSKPHTYREAT-JTQLQIEISA-N	-1	0	324.410	0.238	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)NC2CC(CNCC#N)C2)cc1=O	ZINC001755214671	1189057518	/nfs/dbraw/zinc/05/75/18/1189057518.db2.gz	GOJJJYVIXFWUFL-UHFFFAOYSA-N	-1	0	319.409	0.383	20	30		DCEDRM
C=CCCOCC(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001755392218	1189100333	/nfs/dbraw/zinc/10/03/33/1189100333.db2.gz	NZOKVBZIXIBXHK-JTQLQIEISA-N	-1	0	309.370	0.040	20	30		DCEDRM
COC(=O)[C@H](CS)Nc1cc(-c2nn[nH]n2)ccc1OC	ZINC001167620505	747431813	/nfs/dbraw/zinc/43/18/13/747431813.db2.gz	BXVXCYGMRBBTNA-VIFPVBQESA-N	-1	0	309.351	0.759	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNc2ccncc2C#N)c1[O-]	ZINC001104530887	747688506	/nfs/dbraw/zinc/68/85/06/747688506.db2.gz	OKZXVPUPXICJOA-VIFPVBQESA-N	-1	0	314.349	0.685	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)NC[C@H](C)Nc1cncc(C#N)n1	ZINC001098228680	747926019	/nfs/dbraw/zinc/92/60/19/747926019.db2.gz	JWYUWICQDUYXSR-QMMMGPOBSA-N	-1	0	313.321	0.383	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)c1[O-]	ZINC001058878116	748416219	/nfs/dbraw/zinc/41/62/19/748416219.db2.gz	SOJKPNQNVMWUGQ-VIFPVBQESA-N	-1	0	313.321	0.412	20	30		DCEDRM
Cc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ccc1CC#N	ZINC001167860948	748444109	/nfs/dbraw/zinc/44/41/09/748444109.db2.gz	FNISPLYXVMFYTF-CABZTGNLSA-N	-1	0	309.347	0.875	20	30		DCEDRM
C[C@H]1[C@H](Nc2ccccc2CS)C(=O)N1S(=O)(=O)[O-]	ZINC001167861068	748445021	/nfs/dbraw/zinc/44/50/21/748445021.db2.gz	BSOVZLFOZIIRTB-XVKPBYJWSA-N	-1	0	302.377	0.930	20	30		DCEDRM
C=C(C)CCCO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001224278800	749961403	/nfs/dbraw/zinc/96/14/03/749961403.db2.gz	DJEWOMVCLOVCFP-ZDUSSCGKSA-N	-1	0	307.412	0.948	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1C	ZINC001071910108	762219435	/nfs/dbraw/zinc/21/94/35/762219435.db2.gz	TVYQLIXYGRMYEA-JQWIXIFHSA-N	-1	0	318.377	0.804	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C	ZINC001071914409	762224482	/nfs/dbraw/zinc/22/44/82/762224482.db2.gz	PYKFTOSGHOTCLL-MWLCHTKSSA-N	-1	0	322.365	0.203	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccncc2C#N)c1[O-]	ZINC001062477499	754758974	/nfs/dbraw/zinc/75/89/74/754758974.db2.gz	JLFUCOGYGDHAFU-RYUDHWBXSA-N	-1	0	324.344	0.794	20	30		DCEDRM
Cc1ncc(CO)c(C(=O)N=C(NC#N)c2ccncc2)c1[O-]	ZINC001147842640	767859092	/nfs/dbraw/zinc/85/90/92/767859092.db2.gz	HBNDNMFSALVGOW-UHFFFAOYSA-N	-1	0	311.301	0.641	20	30		DCEDRM
C=CC[C@H](Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)C(=O)OC	ZINC001169841341	760881682	/nfs/dbraw/zinc/88/16/82/760881682.db2.gz	JTTHUJKYJZUEQW-JTQLQIEISA-N	-1	0	310.331	0.648	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC[C@@H](C)Nc2ccnc(C#N)n2)c1[O-]	ZINC001098985239	762772302	/nfs/dbraw/zinc/77/23/02/762772302.db2.gz	SRHOGJMPESQBQZ-MRVPVSSYSA-N	-1	0	315.337	0.128	20	30		DCEDRM
C#CCCCCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114159995	762843936	/nfs/dbraw/zinc/84/39/36/762843936.db2.gz	PBIANZGYYDLKGT-YABSGUDNSA-N	-1	0	303.366	0.250	20	30		DCEDRM
CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001132019748	764199732	/nfs/dbraw/zinc/19/97/32/764199732.db2.gz	ABTRTGHLISUZQS-NEPJUHHUSA-N	-1	0	305.382	0.639	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2(Nc3cncc(C#N)n3)CC2)c1[O-]	ZINC001110107975	766576822	/nfs/dbraw/zinc/57/68/22/766576822.db2.gz	BNRQRWRDDVYQNO-UHFFFAOYSA-N	-1	0	313.321	0.460	20	30		DCEDRM
CC1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)CC1	ZINC000824947056	766616946	/nfs/dbraw/zinc/61/69/46/766616946.db2.gz	MDQGWVPDFBWTAH-UHFFFAOYSA-N	-1	0	300.326	0.193	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1ccc(OCC)nc1	ZINC001119425177	766675442	/nfs/dbraw/zinc/67/54/42/766675442.db2.gz	QRVCUEZDMDGIDV-UHFFFAOYSA-N	-1	0	314.388	0.652	20	30		DCEDRM
CC(C)CC(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001142714821	768660439	/nfs/dbraw/zinc/66/04/39/768660439.db2.gz	GDVBHTNVWZLYCN-SNVBAGLBSA-N	-1	0	314.344	0.575	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1	ZINC001149640527	768804137	/nfs/dbraw/zinc/80/41/37/768804137.db2.gz	RFRCCRGKXDGVAO-GFCCVEGCSA-N	-1	0	321.381	0.021	20	30		DCEDRM
CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)C#CC(C)(C)C	ZINC001234206950	769584254	/nfs/dbraw/zinc/58/42/54/769584254.db2.gz	WLSKMHLHRMLEEP-LLVKDONJSA-N	-1	0	305.382	0.593	20	30		DCEDRM
C=CC[C@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)c1ccccc1	ZINC001234377060	769639977	/nfs/dbraw/zinc/63/99/77/769639977.db2.gz	XCKMZHBSBJQWOK-JTQLQIEISA-N	-1	0	300.266	0.405	20	30		DCEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1	ZINC001234375062	769640511	/nfs/dbraw/zinc/64/05/11/769640511.db2.gz	IAYULHKUSHDELZ-NXEZZACHSA-N	-1	0	304.298	0.388	20	30		DCEDRM
N#Cc1c(N)nn(C([O-])=C2CN(Cc3ccccc3)CC2=O)c1N	ZINC001181566367	771316075	/nfs/dbraw/zinc/31/60/75/771316075.db2.gz	ZLAWTKUDOWKNHI-LBPRGKRZSA-N	-1	0	324.344	0.260	20	30		DCEDRM
N#Cc1cc(NC(=O)CC2CC(=O)NC(=O)C2)c([O-])cc1F	ZINC001182171130	771425654	/nfs/dbraw/zinc/42/56/54/771425654.db2.gz	CXSKKXRBLVXTKU-UHFFFAOYSA-N	-1	0	305.265	0.784	20	30		DCEDRM
COc1ccnc(NC(=N)SCCS(=O)(=O)[O-])c1C#N	ZINC001157322697	771586162	/nfs/dbraw/zinc/58/61/62/771586162.db2.gz	TUMWPPNAKSSZKE-UHFFFAOYSA-N	-1	0	316.364	0.930	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1ncc([N+](=O)[O-])cc1N	ZINC001158971641	771840759	/nfs/dbraw/zinc/84/07/59/771840759.db2.gz	MAILJGBLFLNCAW-UHFFFAOYSA-N	-1	0	303.238	0.998	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nc(C)nc(N(C)C)n1	ZINC001158971671	771841143	/nfs/dbraw/zinc/84/11/43/771841143.db2.gz	MOYARJWXHASHDK-UHFFFAOYSA-N	-1	0	302.298	0.672	20	30		DCEDRM
CCOCCS(=O)(=O)[N-]c1c(C#N)cnn1-c1ncccn1	ZINC001187246891	772153432	/nfs/dbraw/zinc/15/34/32/772153432.db2.gz	YBHUYMMTVAQYQQ-UHFFFAOYSA-N	-1	0	322.350	0.312	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2ccnc(-n3cccn3)c2)c(C#N)c1=O	ZINC001162126488	772329594	/nfs/dbraw/zinc/32/95/94/772329594.db2.gz	LIGPWIPDEXQUAR-UHFFFAOYSA-N	-1	0	323.316	0.138	20	30		DCEDRM
NS(=O)(=O)c1cc(C(=O)NCCCS)c([O-])cc1Cl	ZINC001191046787	772718114	/nfs/dbraw/zinc/71/81/14/772718114.db2.gz	ZEJNNIYEIFGDPM-UHFFFAOYSA-N	-1	0	324.811	0.743	20	30		DCEDRM
CC(C)(O)C#Cc1ccc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC001191187507	772738228	/nfs/dbraw/zinc/73/82/28/772738228.db2.gz	UVJWYFJEPKSKOY-CYBMUJFWSA-N	-1	0	318.354	0.848	20	30		DCEDRM
COC(=O)c1c(F)ccc([N-]S(=O)(=O)CC#N)c1OC	ZINC001192982224	772983585	/nfs/dbraw/zinc/98/35/85/772983585.db2.gz	KMKHTMHWTJEZHR-UHFFFAOYSA-N	-1	0	302.283	0.886	20	30		DCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC001193206352	773024820	/nfs/dbraw/zinc/02/48/20/773024820.db2.gz	CJKWGLDOSBGZKP-JTQLQIEISA-N	-1	0	323.378	0.933	20	30		DCEDRM
CN(C(=O)c1ccc([O-])c(C#N)c1)C1CCS(=O)(=O)CC1	ZINC001193503547	773075634	/nfs/dbraw/zinc/07/56/34/773075634.db2.gz	AQPAWPJNQCPZTC-UHFFFAOYSA-N	-1	0	308.359	0.913	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@@H]2COCCC23OCCO3)ccc1[O-]	ZINC001193515331	773076972	/nfs/dbraw/zinc/07/69/72/773076972.db2.gz	MQCORNYBCQZTDE-CYBMUJFWSA-N	-1	0	304.302	0.526	20	30		DCEDRM
N#Cc1cccc(C(=O)N=C(N)c2ccc(C(N)=O)cc2)c1[O-]	ZINC001193659071	773099576	/nfs/dbraw/zinc/09/95/76/773099576.db2.gz	JVXXSFTZOXFAFC-UHFFFAOYSA-N	-1	0	308.297	0.908	20	30		DCEDRM
N#Cc1c(N)nn(C(=O)c2c([O-])c(F)c(F)c(F)c2F)c1N	ZINC001195291558	773371894	/nfs/dbraw/zinc/37/18/94/773371894.db2.gz	ZOBRUOSROJISCJ-UHFFFAOYSA-N	-1	0	315.186	0.870	20	30		DCEDRM
CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195768487	773471180	/nfs/dbraw/zinc/47/11/80/773471180.db2.gz	LZBQCSNCPVPRAN-YPMHNXCESA-N	-1	0	318.329	0.962	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC3(CNC(=O)N3)CC2)c([O-])c1	ZINC001195751879	773477138	/nfs/dbraw/zinc/47/71/38/773477138.db2.gz	ZAADUBMLRHHYIG-UHFFFAOYSA-N	-1	0	300.318	0.551	20	30		DCEDRM
C=CCNC(=O)C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC001211281263	773790034	/nfs/dbraw/zinc/79/00/34/773790034.db2.gz	GVEGBVZAHRMWHD-SFHVURJKSA-N	-1	0	311.429	0.019	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]c2cnc(C(N)=O)cn2)cc1C#N	ZINC001201295538	774484058	/nfs/dbraw/zinc/48/40/58/774484058.db2.gz	UKRGCGRKRSWANG-UHFFFAOYSA-N	-1	0	317.330	0.556	20	30		DCEDRM
Cc1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1C#N	ZINC001201295541	774484087	/nfs/dbraw/zinc/48/40/87/774484087.db2.gz	UOXWACGDQBYJNY-UHFFFAOYSA-N	-1	0	306.347	0.856	20	30		DCEDRM
CC#CCCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001221754877	775188553	/nfs/dbraw/zinc/18/85/53/775188553.db2.gz	YXPLMVHLIPGAHA-CHWSQXEVSA-N	-1	0	317.393	0.737	20	30		DCEDRM
C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001110897529	775337652	/nfs/dbraw/zinc/33/76/52/775337652.db2.gz	NMQQCPMTGSIGKZ-MXWKQRLJSA-N	-1	0	305.382	0.944	20	30		DCEDRM
O=C([O-])CC[C@@H](O)C(=O)O/C(=N\O)c1cc(F)ccc1F	ZINC001223888413	775522263	/nfs/dbraw/zinc/52/22/63/775522263.db2.gz	JODYDYNGCQHAPR-BJPKCCCNSA-N	-1	0	303.217	0.870	20	30		DCEDRM
N#CCCCCCO[C@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001224692499	775596550	/nfs/dbraw/zinc/59/65/50/775596550.db2.gz	KBINRVQEFKTKCD-CYBMUJFWSA-N	-1	0	320.411	0.676	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@H](C)COC(C)=O	ZINC001224793616	775606530	/nfs/dbraw/zinc/60/65/30/775606530.db2.gz	YZPVRDVFQGQUQW-PWSUYJOCSA-N	-1	0	310.368	0.661	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C)n(C)c(=O)c1	ZINC001225530220	775690651	/nfs/dbraw/zinc/69/06/51/775690651.db2.gz	DHAYUOXPCJGHDE-LBPRGKRZSA-N	-1	0	317.363	0.532	20	30		DCEDRM
C=CCO[C@H](C)C(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001225631553	775701161	/nfs/dbraw/zinc/70/11/61/775701161.db2.gz	PGFDDWZHDBKWHF-LLVKDONJSA-N	-1	0	323.397	0.430	20	30		DCEDRM
CCOC(=O)c1[n-]c(=O)nc(O[C@H]2C=CC(=O)C2)c1[N+](=O)[O-]	ZINC001226015283	775756330	/nfs/dbraw/zinc/75/63/30/775756330.db2.gz	DOYGLVGEYIRNGK-ZETCQYMHSA-N	-1	0	309.234	0.544	20	30		DCEDRM
C=CCCO[C@@H](C)C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001226447788	775819180	/nfs/dbraw/zinc/81/91/80/775819180.db2.gz	PZXZMASACWIMFS-NSHDSACASA-N	-1	0	323.397	0.572	20	30		DCEDRM
O=C([O-])CC[C@@H](O)C(=O)Oc1ccc(Cl)cc1C(=O)NO	ZINC001227175090	775941643	/nfs/dbraw/zinc/94/16/43/775941643.db2.gz	MLZCZEJIEMYMER-MRVPVSSYSA-N	-1	0	317.681	0.590	20	30		DCEDRM
C#CCCCCCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114693370	776044474	/nfs/dbraw/zinc/04/44/74/776044474.db2.gz	ZXSFVGKEOFYZTK-JYAVWHMHSA-N	-1	0	317.393	0.640	20	30		DCEDRM
CC1(C)O[C@H]2C(=O)O[C@H](COc3[n-]c(=O)ccc3C#N)[C@H]2O1	ZINC001228902105	776137346	/nfs/dbraw/zinc/13/73/46/776137346.db2.gz	PWVNMJXIJAEUAH-FBIMIBRVSA-N	-1	0	306.274	0.483	20	30		DCEDRM
C=C[C@@H]1O[C@H](Oc2[nH]c(=O)[n-]c(=O)c2F)[C@H]2OC(C)(C)O[C@@H]12	ZINC001229123618	776161538	/nfs/dbraw/zinc/16/15/38/776161538.db2.gz	FXROGIJBDFHHMA-SYKDKJQZSA-N	-1	0	314.269	0.837	20	30		DCEDRM
CC1=CC(=O)c2c(OC(=O)[C@@H](O)CC(=O)[O-])cccc2C1=O	ZINC001229912979	776237321	/nfs/dbraw/zinc/23/73/21/776237321.db2.gz	AXKYBPDRBKNHEM-JTQLQIEISA-N	-1	0	304.254	0.753	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)CNc1ccc(S(N)(=O)=O)cc1F	ZINC001583409051	1166251151	/nfs/dbraw/zinc/25/11/51/1166251151.db2.gz	VVRLVYCAQBFQFA-MRVPVSSYSA-N	-1	0	317.342	0.507	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)Nc2ccc(C(=O)[O-])s2)n1	ZINC001601136011	1168594551	/nfs/dbraw/zinc/59/45/51/1168594551.db2.gz	ALDIBMSAYOBWAX-UHFFFAOYSA-N	-1	0	306.307	0.731	20	30		DCEDRM
O=C([O-])c1cc(F)cc(S(=O)(=O)O[C@H]2CNOC2)c1F	ZINC001602274265	1169047237	/nfs/dbraw/zinc/04/72/37/1169047237.db2.gz	MMXQDUWNFORHQI-LURJTMIESA-N	-1	0	309.246	0.272	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1	ZINC001602776307	1169183047	/nfs/dbraw/zinc/18/30/47/1169183047.db2.gz	OYMHENAZEFHBJF-LBPRGKRZSA-N	-1	0	315.391	0.833	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001602842793	1169192258	/nfs/dbraw/zinc/19/22/58/1169192258.db2.gz	PLMYPRWQSXWKKK-JTQLQIEISA-N	-1	0	310.331	0.472	20	30		DCEDRM
N#CCN(CCNC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CC1	ZINC001481194737	939605310	/nfs/dbraw/zinc/60/53/10/939605310.db2.gz	RXMNCKPGGPVEKE-UHFFFAOYSA-N	-1	0	301.306	0.646	20	30		DCEDRM
O=C([O-])C(O)=CC(=O)c1cccc(Cn2cc(CCO)nn2)c1	ZINC001246058933	945329738	/nfs/dbraw/zinc/32/97/38/945329738.db2.gz	XDOLFHAYSXSERJ-AUWJEWJLSA-N	-1	0	317.301	0.570	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001270674399	940963117	/nfs/dbraw/zinc/96/31/17/940963117.db2.gz	PNFUWJPULRSQHN-NEPJUHHUSA-N	-1	0	323.397	0.430	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@@H]2C(=O)OC(C)(C)C)c(C#N)c1=O	ZINC001412878988	942118095	/nfs/dbraw/zinc/11/80/95/942118095.db2.gz	GKQGMURBVRVCHB-SNVBAGLBSA-N	-1	0	320.349	0.256	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cnn(CC3CCC3)c2)c(C#N)c1=O	ZINC001412923675	942138392	/nfs/dbraw/zinc/13/83/92/942138392.db2.gz	SSXAQMGJVJDHJI-UHFFFAOYSA-N	-1	0	314.349	0.554	20	30		DCEDRM
CCS(=O)(=O)c1ccc(Cn2c(=O)[n-]cc(C#N)c2=O)cc1	ZINC001412922105	942140267	/nfs/dbraw/zinc/14/02/67/942140267.db2.gz	MWPNDZXSMZRBOI-UHFFFAOYSA-N	-1	0	319.342	0.250	20	30		DCEDRM
COCC[C@@H]1COCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412999187	942187296	/nfs/dbraw/zinc/18/72/96/942187296.db2.gz	LTBFRPDULUEVOE-GFCCVEGCSA-N	-1	0	305.334	0.845	20	30		DCEDRM
Cc1cccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1C	ZINC001413305173	942616832	/nfs/dbraw/zinc/61/68/32/942616832.db2.gz	ASTIKFGUSCLJSW-UHFFFAOYSA-N	-1	0	312.329	0.867	20	30		DCEDRM
C=CCN1CC2(CN(C(=O)c3c([O-])cccc3F)C2)OCC1=O	ZINC001272389067	942730790	/nfs/dbraw/zinc/73/07/90/942730790.db2.gz	RETOIFJXGLVFOB-UHFFFAOYSA-N	-1	0	320.320	0.771	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)c(=O)[n-]c1=O	ZINC001413779678	944086371	/nfs/dbraw/zinc/08/63/71/944086371.db2.gz	YXDUKFQXZKZODH-ADEWGFFLSA-N	-1	0	302.334	0.515	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC3(C2)CCOC[C@H]3C(N)=O)c([O-])c1	ZINC001276865070	944334866	/nfs/dbraw/zinc/33/48/66/944334866.db2.gz	PSGRLCYUZDTROF-LBPRGKRZSA-N	-1	0	315.329	0.228	20	30		DCEDRM
C#CCCCC(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1	ZINC001317444008	944972826	/nfs/dbraw/zinc/97/28/26/944972826.db2.gz	GTUMNXGYKDBDDT-UHFFFAOYSA-N	-1	0	315.377	0.374	20	30		DCEDRM
C=CCC[C@H](O)CNc1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001252613394	945970641	/nfs/dbraw/zinc/97/06/41/945970641.db2.gz	YBGGDAFDRFKUKF-NSHDSACASA-N	-1	0	313.379	0.783	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001278811024	946427181	/nfs/dbraw/zinc/42/71/81/946427181.db2.gz	PTUZONDDXQZRQA-OAHLLOKOSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1ccccc1	ZINC001602671731	971235339	/nfs/dbraw/zinc/23/53/39/971235339.db2.gz	FNTDPRTYQYOBCV-STQMWFEESA-N	-1	0	308.359	0.744	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F	ZINC001602679552	971260050	/nfs/dbraw/zinc/26/00/50/971260050.db2.gz	STSLGVAGFXXROD-NXEZZACHSA-N	-1	0	323.267	0.517	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC001602682250	971266770	/nfs/dbraw/zinc/26/67/70/971266770.db2.gz	KDVMPBRDJADIAG-CQSZACIVSA-N	-1	0	314.341	0.582	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCOCc1ccc(OC)cc1	ZINC001602686208	971285913	/nfs/dbraw/zinc/28/59/13/971285913.db2.gz	VGUQPVYMXZVBFF-UHFFFAOYSA-N	-1	0	320.345	0.941	20	30		DCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)CCc1cccc(F)c1	ZINC001259777248	946982860	/nfs/dbraw/zinc/98/28/60/946982860.db2.gz	RAGDXWMSHYWOFH-LBPRGKRZSA-N	-1	0	314.338	0.743	20	30		DCEDRM
C#CCN(CC(=O)[O-])CC(=O)N(C)Cc1ccccc1OC	ZINC001602695681	971311250	/nfs/dbraw/zinc/31/12/50/971311250.db2.gz	PULUNZFXDRZKTO-UHFFFAOYSA-N	-1	0	304.346	0.673	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1	ZINC001602699021	971315128	/nfs/dbraw/zinc/31/51/28/971315128.db2.gz	BONUIAGZDBYCFU-NEPJUHHUSA-N	-1	0	301.364	0.294	20	30		DCEDRM
CC[C@](C)(C#N)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260179671	947078913	/nfs/dbraw/zinc/07/89/13/947078913.db2.gz	SLKJWXPSPVTEJF-SNVBAGLBSA-N	-1	0	314.758	0.748	20	30		DCEDRM
CCOC(=O)C(C#N)NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC001260231373	947088630	/nfs/dbraw/zinc/08/86/30/947088630.db2.gz	NLWAZOVXHHEBML-SNVBAGLBSA-N	-1	0	312.303	0.118	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(CC2CC(O)C2)n1CC(=C)C	ZINC001602700940	971324131	/nfs/dbraw/zinc/32/41/31/971324131.db2.gz	PFSFNERHRQTURX-UHFFFAOYSA-N	-1	0	318.377	0.692	20	30		DCEDRM
C[C@H]1CN(O)C(=O)[C@H]1[N-]S(=O)(=O)c1c(F)cc(F)cc1F	ZINC001260356446	947095477	/nfs/dbraw/zinc/09/54/77/947095477.db2.gz	ASXWSHXFALGXSM-CDUCUWFYSA-N	-1	0	324.280	0.618	20	30		DCEDRM
Cn1cc([N-]S(=O)(=O)c2cccc3nonc32)c(C#N)n1	ZINC001260436345	947101962	/nfs/dbraw/zinc/10/19/62/947101962.db2.gz	ZGAYDFKJWOFVTM-UHFFFAOYSA-N	-1	0	304.291	0.629	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1c(C#N)ccc(F)c1F	ZINC001260592227	947121964	/nfs/dbraw/zinc/12/19/64/947121964.db2.gz	BSOWWFRQAJPMDA-UHFFFAOYSA-N	-1	0	310.303	0.580	20	30		DCEDRM
C#CCOCCC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001602702902	971331850	/nfs/dbraw/zinc/33/18/50/971331850.db2.gz	XCKCHFJOWYTINF-BWBHSNQOSA-N	-1	0	323.345	0.139	20	30		DCEDRM
C#C[C@H]1CC[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	ZINC001602704318	971334300	/nfs/dbraw/zinc/33/43/00/971334300.db2.gz	CVYKPJFXYKYPAC-SRVKXCTJSA-N	-1	0	300.380	0.562	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCC(=O)N2)n1CC(=C)C	ZINC001602701100	971326375	/nfs/dbraw/zinc/32/63/75/971326375.db2.gz	VYVMLXUVTGEDKN-NSHDSACASA-N	-1	0	317.349	0.330	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2nc3ccccc3[nH]2)n1C	ZINC001602701131	971326420	/nfs/dbraw/zinc/32/64/20/971326420.db2.gz	XUPLJXZGVOUTAQ-UHFFFAOYSA-N	-1	0	324.344	0.806	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001602723161	971394078	/nfs/dbraw/zinc/39/40/78/971394078.db2.gz	QBZGJMDBWWZHGL-GFCCVEGCSA-N	-1	0	319.317	0.522	20	30		DCEDRM
COCCCO[N-]C(=O)C(=O)Nc1ccc(OCC#N)cc1	ZINC001324976169	947595530	/nfs/dbraw/zinc/59/55/30/947595530.db2.gz	LSEGPXZLLYZELG-UHFFFAOYSA-N	-1	0	307.306	0.612	20	30		DCEDRM
C=CCn1c(N2C[C@H](C)C[C@H](C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001602730009	971404976	/nfs/dbraw/zinc/40/49/76/971404976.db2.gz	PQAOEZBFXUBNPY-MNOVXSKESA-N	-1	0	306.366	0.993	20	30		DCEDRM
C=CCn1c([C@H]2CCC(=O)NC2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602730237	971408098	/nfs/dbraw/zinc/40/80/98/971408098.db2.gz	XULFUPMECWFBPJ-QWRGUYRKSA-N	-1	0	319.365	0.369	20	30		DCEDRM
C=CC[C@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)[O-]	ZINC001325142716	947678357	/nfs/dbraw/zinc/67/83/57/947678357.db2.gz	HRTMSVGZVMAASS-VIFPVBQESA-N	-1	0	316.335	0.289	20	30		DCEDRM
C=CC[C@@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)[O-]	ZINC001325142714	947678495	/nfs/dbraw/zinc/67/84/95/947678495.db2.gz	HRTMSVGZVMAASS-SECBINFHSA-N	-1	0	316.335	0.289	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1	ZINC001325743859	947906442	/nfs/dbraw/zinc/90/64/42/947906442.db2.gz	QSERMURJGHGDSY-XHDPSFHLSA-N	-1	0	310.350	0.113	20	30		DCEDRM
Cc1nnc(N=NC2CCC(CS(C)(=O)=O)CC2)[n-]c1=O	ZINC001326234872	948104084	/nfs/dbraw/zinc/10/40/84/948104084.db2.gz	SDANZIFTZPVEOE-UHFFFAOYSA-N	-1	0	313.383	0.888	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)[C@]1(C(=O)[O-])CC1(C)C)C1CC1	ZINC001602782732	971530684	/nfs/dbraw/zinc/53/06/84/971530684.db2.gz	ZDOGYVQDHDYCET-HUUCEWRRSA-N	-1	0	308.334	0.839	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2	ZINC001602796005	971559729	/nfs/dbraw/zinc/55/97/29/971559729.db2.gz	SACFONBZCLRIIK-WCBMZHEXSA-N	-1	0	318.285	0.826	20	30		DCEDRM
COC(=O)[C@@](C)(CCF)NCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364470676	949372898	/nfs/dbraw/zinc/37/28/98/949372898.db2.gz	YYGDSEVQPXUBDJ-CQSZACIVSA-N	-1	0	321.312	0.687	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2cc3n(n2)CCCC3)c(C#N)c1=O	ZINC001364559688	949551947	/nfs/dbraw/zinc/55/19/47/949551947.db2.gz	KQHMKRGVPZKKQM-UHFFFAOYSA-N	-1	0	300.322	0.090	20	30		DCEDRM
CSCCO[N-]C(=O)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC001330533179	950490141	/nfs/dbraw/zinc/49/01/41/950490141.db2.gz	HEACMXPRYBRNNI-CYBMUJFWSA-N	-1	0	319.386	0.552	20	30		DCEDRM
CN(c1[n-]c(=O)n(C)c(=O)c1C#N)[C@H](CCO)c1ccccc1	ZINC001365215417	950752640	/nfs/dbraw/zinc/75/26/40/950752640.db2.gz	JOWDPUMCGHRUIF-CYBMUJFWSA-N	-1	0	314.345	0.505	20	30		DCEDRM
C[C@H]1CCCN(C(=O)CCNc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001365247097	950808285	/nfs/dbraw/zinc/80/82/85/950808285.db2.gz	DGTXGLRPWCWSMK-JTQLQIEISA-N	-1	0	319.365	0.006	20	30		DCEDRM
O=C([O-])CC1(C(=O)NCCNC(=O)C2N=CC=CC2=O)CCC1	ZINC001594974074	950899911	/nfs/dbraw/zinc/89/99/11/950899911.db2.gz	LEDBOSDAANEMRE-SEYXRHQNSA-N	-1	0	321.333	0.274	20	30		DCEDRM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1c[nH]nc1C#N	ZINC001280491044	950900582	/nfs/dbraw/zinc/90/05/82/950900582.db2.gz	RRQXURYAMVFREJ-UHFFFAOYSA-N	-1	0	311.305	0.828	20	30		DCEDRM
C#CCN1CC2(CN(Cc3ccc(F)c(F)c3[O-])C2)OCC1=O	ZINC001274030437	951341153	/nfs/dbraw/zinc/34/11/53/951341153.db2.gz	MVHPJOIHACONPU-UHFFFAOYSA-N	-1	0	322.311	0.717	20	30		DCEDRM
C=CC[C@H](NC(=O)NC[C@H](C(C)C)N1CCOCC1)C(=O)[O-]	ZINC001332159338	951503354	/nfs/dbraw/zinc/50/33/54/951503354.db2.gz	IQJXOAHVVMXJJQ-QWHCGFSZSA-N	-1	0	313.398	0.672	20	30		DCEDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)n1	ZINC001463138918	1013111317	/nfs/dbraw/zinc/11/13/17/1013111317.db2.gz	OCCFTZBBZUXQCY-UHFFFAOYSA-N	-1	0	321.318	0.678	20	30		DCEDRM
O=C([O-])CN1CCC[C@@H](C(=O)N(O)Cc2ccc(F)cc2)C1=O	ZINC001595086388	951733037	/nfs/dbraw/zinc/73/30/37/951733037.db2.gz	JJPKEFURMHDVNJ-GFCCVEGCSA-N	-1	0	324.308	0.867	20	30		DCEDRM
COCC#CC[N@H+](C)CCN(C(=O)c1cnc[nH]c1=O)C(C)C	ZINC001332710807	951772281	/nfs/dbraw/zinc/77/22/81/951772281.db2.gz	LJDPTVALEGPLDR-UHFFFAOYSA-N	-1	0	320.393	0.614	20	30		DCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1	ZINC001332946006	951860224	/nfs/dbraw/zinc/86/02/24/951860224.db2.gz	RJCCPPBWHGQCMJ-VXGBXAGGSA-N	-1	0	312.366	0.263	20	30		DCEDRM
N#CCCN1CCN(C(=O)C2(C(=O)[O-])CCSCC2)CC1	ZINC001334033239	952229240	/nfs/dbraw/zinc/22/92/40/952229240.db2.gz	LXTOMUQMBDZVBO-UHFFFAOYSA-N	-1	0	311.407	0.642	20	30		DCEDRM
C=CCCC(=O)N[C@H](C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001335927900	952621864	/nfs/dbraw/zinc/62/18/64/952621864.db2.gz	NMDRXLZIABAQGR-SECBINFHSA-N	-1	0	323.353	0.264	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](S(C)(=O)=O)C1	ZINC001412056171	952624683	/nfs/dbraw/zinc/62/46/83/952624683.db2.gz	JJODHTLIFOPKHR-SNVBAGLBSA-N	-1	0	309.347	0.226	20	30		DCEDRM
CN(C)c1ccc(CN(C)c2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001336443806	952699443	/nfs/dbraw/zinc/69/94/43/952699443.db2.gz	FVIXWOZWAPZSBA-UHFFFAOYSA-N	-1	0	313.361	0.648	20	30		DCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c(=O)[n-]c1=O	ZINC001412336697	952752100	/nfs/dbraw/zinc/75/21/00/952752100.db2.gz	SDZPBIVOPBPCTH-KXUCPTDWSA-N	-1	0	324.287	0.371	20	30		DCEDRM
N#Cc1cn(CCNC(=O)C2CCC3(CC3)CC2)c(=O)[n-]c1=O	ZINC001412372672	952765697	/nfs/dbraw/zinc/76/56/97/952765697.db2.gz	KSSBTPPUILPEGQ-UHFFFAOYSA-N	-1	0	316.361	0.907	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1nc([O-])cc(=O)[nH]1	ZINC001412378533	952770324	/nfs/dbraw/zinc/77/03/24/952770324.db2.gz	XXMYGLHTUFZXKJ-SECBINFHSA-N	-1	0	314.301	0.843	20	30		DCEDRM
COCCC1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001412385658	952773243	/nfs/dbraw/zinc/77/32/43/952773243.db2.gz	ODJLSFVWGAKXKJ-UHFFFAOYSA-N	-1	0	320.349	0.096	20	30		DCEDRM
CCc1ccc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)nc1	ZINC001412499905	952848263	/nfs/dbraw/zinc/84/82/63/952848263.db2.gz	CAVUAHZHHJGCGF-UHFFFAOYSA-N	-1	0	313.317	0.807	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2cnc(C3CC3)nc2)c(=O)[n-]c1=O	ZINC001412508506	952855631	/nfs/dbraw/zinc/85/56/31/952855631.db2.gz	SNERXWFNDWTUPJ-UHFFFAOYSA-N	-1	0	312.289	0.127	20	30		DCEDRM
Cc1cnc([C@@H](C)NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001412647177	952965309	/nfs/dbraw/zinc/96/53/09/952965309.db2.gz	UYOHXRIJDIXNNW-MRVPVSSYSA-N	-1	0	319.346	0.463	20	30		DCEDRM
CC[C@@H](C[C@@H](C)CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412699379	953003656	/nfs/dbraw/zinc/00/36/56/953003656.db2.gz	VNKXXUAVFJLVQV-PWSUYJOCSA-N	-1	0	322.365	0.124	20	30		DCEDRM
CC1(C)C[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C(C)(C)O1	ZINC001412746936	953040536	/nfs/dbraw/zinc/04/05/36/953040536.db2.gz	OEHHAMMLEYCPNI-SNVBAGLBSA-N	-1	0	320.349	0.283	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)Cc1cscn1	ZINC001339056493	953070913	/nfs/dbraw/zinc/07/09/13/953070913.db2.gz	XHPGOAVFWPGRMC-UHFFFAOYSA-N	-1	0	317.378	0.781	20	30		DCEDRM
C=CCn1c(-c2nn[nH]n2)nnc1N1CCCC[C@H](COC)C1	ZINC001339211398	953080578	/nfs/dbraw/zinc/08/05/78/953080578.db2.gz	QGPABDICXLUSOO-NSHDSACASA-N	-1	0	318.385	0.897	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCCCOC	ZINC001339710093	953114558	/nfs/dbraw/zinc/11/45/58/953114558.db2.gz	LVYQHLDFKGRYHC-UHFFFAOYSA-N	-1	0	306.370	0.551	20	30		DCEDRM
N#Cc1cccc(CNC(=O)C(=O)[N-]OC2CCOCC2)c1	ZINC001340455381	953170351	/nfs/dbraw/zinc/17/03/51/953170351.db2.gz	XHFLRDDHKSBHQT-UHFFFAOYSA-N	-1	0	303.318	0.401	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(N)=O)n(-c2ccccc2)n1	ZINC001341887043	953256709	/nfs/dbraw/zinc/25/67/09/953256709.db2.gz	WIPPULCPIIGJBE-JTQLQIEISA-N	-1	0	311.301	0.040	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC001342558575	953296069	/nfs/dbraw/zinc/29/60/69/953296069.db2.gz	PHAHTCVCXQQKBS-SECBINFHSA-N	-1	0	302.250	0.117	20	30		DCEDRM
COCCCn1cc(C([O-])=C(C#N)C(=O)NCCOC)cn1	ZINC001343410749	953344442	/nfs/dbraw/zinc/34/44/42/953344442.db2.gz	GVMJLVCZFMMHHH-LBPRGKRZSA-N	-1	0	308.338	0.005	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(OC)CC1	ZINC001343690762	953365888	/nfs/dbraw/zinc/36/58/88/953365888.db2.gz	OEACOWGRXXGSIX-UHFFFAOYSA-N	-1	0	318.381	0.693	20	30		DCEDRM
Cc1coc(C([O-])=C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1C	ZINC001346088432	953798822	/nfs/dbraw/zinc/79/88/22/953798822.db2.gz	YAGFNTSQSBSAJN-NSHDSACASA-N	-1	0	324.358	0.476	20	30		DCEDRM
CCn1c(NC(=O)COCC(=O)[O-])nc2cc(C#N)ccc21	ZINC001593662938	953808883	/nfs/dbraw/zinc/80/88/83/953808883.db2.gz	CTJVAALCXYETBR-UHFFFAOYSA-N	-1	0	302.290	0.968	20	30		DCEDRM
CN(CCS(=O)(=O)CC(=O)[O-])Cc1cc(C#N)cs1	ZINC001593754618	954441750	/nfs/dbraw/zinc/44/17/50/954441750.db2.gz	RHETVZQNTLZHQP-UHFFFAOYSA-N	-1	0	302.377	0.551	20	30		DCEDRM
C[C@H]1[C@@H](NC(=O)CSCC#N)CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001284121184	954861771	/nfs/dbraw/zinc/86/17/71/954861771.db2.gz	PMMYEJHGOLSVJL-UWVGGRQHSA-N	-1	0	324.410	0.236	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(C(=O)C1(C#N)CCC1)C[C@@H]2C(=O)[O-]	ZINC001593819564	955019125	/nfs/dbraw/zinc/01/91/25/955019125.db2.gz	FEMXDFJMPGJHLR-NOEPWBJOSA-N	-1	0	320.345	0.793	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(C(=O)NCCCC#N)C[C@@H]2C(=O)[O-]	ZINC001593821559	955043434	/nfs/dbraw/zinc/04/34/34/955043434.db2.gz	LQXPIQFLNZYLNU-LOIXOFCESA-N	-1	0	323.349	0.586	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@H](CF)C1	ZINC001351852468	955430871	/nfs/dbraw/zinc/43/08/71/955430871.db2.gz	UAJATXNGKRSQCD-SNVBAGLBSA-N	-1	0	306.345	0.874	20	30		DCEDRM
C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001285372060	955605023	/nfs/dbraw/zinc/60/50/23/955605023.db2.gz	AYCSUALXGCOFSN-IUCAKERBSA-N	-1	0	323.353	0.262	20	30		DCEDRM
Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3cncc(C#N)n3)C2)cn1	ZINC001594539783	955625365	/nfs/dbraw/zinc/62/53/65/955625365.db2.gz	ZDMZGMHAWPUMBN-MNOVXSKESA-N	-1	0	312.333	0.776	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001285428265	955646523	/nfs/dbraw/zinc/64/65/23/955646523.db2.gz	FEPRWVNPZDDXQP-GHMZBOCLSA-N	-1	0	324.381	0.233	20	30		DCEDRM
COC(=O)c1ccc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])nc1	ZINC001593879750	955698583	/nfs/dbraw/zinc/69/85/83/955698583.db2.gz	POVAYZKIKQOUFF-CQSZACIVSA-N	-1	0	306.274	0.916	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001352803150	955772942	/nfs/dbraw/zinc/77/29/42/955772942.db2.gz	PNTOFJMFSYSUNK-GHMZBOCLSA-N	-1	0	322.365	0.346	20	30		DCEDRM
C=CCOCC(=O)N[C@H](CNC(=O)c1[nH]nc(C)c1[O-])C1CC1	ZINC001353088843	955917843	/nfs/dbraw/zinc/91/78/43/955917843.db2.gz	VGOSXFLCXLNKAL-LLVKDONJSA-N	-1	0	322.365	0.251	20	30		DCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC001593906420	955920871	/nfs/dbraw/zinc/92/08/71/955920871.db2.gz	WQOUHOTXOURSOT-ZIAGYGMSSA-N	-1	0	317.345	0.323	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)c1cc(O)cc(C#N)c1)C(=O)[O-]	ZINC001594589751	956042389	/nfs/dbraw/zinc/04/23/89/956042389.db2.gz	RFCPWXHXHQPJOY-LBPRGKRZSA-N	-1	0	300.274	0.553	20	30		DCEDRM
N#C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1ccc(F)cc1	ZINC001594600761	956124927	/nfs/dbraw/zinc/12/49/27/956124927.db2.gz	BJBLVPDBQTVVTR-JTQLQIEISA-N	-1	0	303.253	0.496	20	30		DCEDRM
N#CC1(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CCCC1	ZINC001594602130	956142684	/nfs/dbraw/zinc/14/26/84/956142684.db2.gz	UQHCVCMWGWMHSK-NSHDSACASA-N	-1	0	307.350	0.652	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)NCCOCCOCC(=O)[O-])C1	ZINC001594606197	956179064	/nfs/dbraw/zinc/17/90/64/956179064.db2.gz	QGVGQEZVJZLBRL-LBPRGKRZSA-N	-1	0	313.354	0.439	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)Nc2cccnc2C(=O)[O-])CCN1C1CC1	ZINC001594606431	956182832	/nfs/dbraw/zinc/18/28/32/956182832.db2.gz	XHMMSLJFODDAEK-LLVKDONJSA-N	-1	0	315.333	0.984	20	30		DCEDRM
N#CCCN(CC(F)(F)F)C(=O)c1cn(CC(=O)[O-])nn1	ZINC001594610036	956198131	/nfs/dbraw/zinc/19/81/31/956198131.db2.gz	HRDIOKHIRNZZMK-UHFFFAOYSA-N	-1	0	305.216	0.281	20	30		DCEDRM
N#CCCN1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1	ZINC001594610566	956205212	/nfs/dbraw/zinc/20/52/12/956205212.db2.gz	YDUWAZDGFKOKHZ-UHFFFAOYSA-N	-1	0	317.345	0.821	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)C2	ZINC001594627769	956324553	/nfs/dbraw/zinc/32/45/53/956324553.db2.gz	VMZPGJSPXKPBGH-GFCCVEGCSA-N	-1	0	311.301	0.132	20	30		DCEDRM
CCc1cc(=O)n2nc(NC(=O)c3ncc(C#N)cc3C)[n-]c2n1	ZINC001287285598	956332207	/nfs/dbraw/zinc/33/22/07/956332207.db2.gz	AANGUKJFYQADOJ-UHFFFAOYSA-N	-1	0	323.316	0.807	20	30		DCEDRM
N#Cc1cccc2c1CCCN2C(=O)c1cn(CC(=O)[O-])nn1	ZINC001594628699	956334961	/nfs/dbraw/zinc/33/49/61/956334961.db2.gz	LJZBIDSFIBZBQB-UHFFFAOYSA-N	-1	0	311.301	0.827	20	30		DCEDRM
N#Cc1ccnc(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC001594632105	956349497	/nfs/dbraw/zinc/34/94/97/956349497.db2.gz	UFAVODSCFBPHOE-ZANVPECISA-N	-1	0	304.262	0.399	20	30		DCEDRM
COCC#CC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1	ZINC001593950576	956377779	/nfs/dbraw/zinc/37/77/79/956377779.db2.gz	CEPFUDGDCNBRTI-NWDGAFQWSA-N	-1	0	305.334	0.087	20	30		DCEDRM
C[C@@]1(C#N)CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	ZINC001589181242	956520540	/nfs/dbraw/zinc/52/05/40/956520540.db2.gz	CHHMJEAFUUBVBI-OZVIIMIRSA-N	-1	0	319.361	0.318	20	30		DCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1	ZINC001589187900	956573045	/nfs/dbraw/zinc/57/30/45/956573045.db2.gz	KQCJXZRUAJQIAC-CQSZACIVSA-N	-1	0	302.290	0.215	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001354997084	956575469	/nfs/dbraw/zinc/57/54/69/956575469.db2.gz	VFGQCCQPGBQLTO-SNVBAGLBSA-N	-1	0	303.343	0.855	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(c2nnc([C@@H]3C[C@@H]3C#N)n2C)C1	ZINC001593969780	956595827	/nfs/dbraw/zinc/59/58/27/956595827.db2.gz	DMSMDKUBMWMRPG-RULNRJAQSA-N	-1	0	305.338	0.370	20	30		DCEDRM
C[C@@H](CN(C)C(=O)C(=O)Nc1ccc(C#N)cc1F)C(=O)[O-]	ZINC001603144546	972239458	/nfs/dbraw/zinc/23/94/58/972239458.db2.gz	AHXBEKLCKRJRCY-QMMMGPOBSA-N	-1	0	307.281	0.815	20	30		DCEDRM
C=C1CCC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	ZINC001357182095	957229008	/nfs/dbraw/zinc/22/90/08/957229008.db2.gz	CKTNRMSLFUEFOK-UHFFFAOYSA-N	-1	0	309.366	0.671	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001294726145	957573411	/nfs/dbraw/zinc/57/34/11/957573411.db2.gz	CCUQPPQBOMZXGC-BONVTDFDSA-N	-1	0	322.365	0.082	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](NC(=O)C#CC(C)C)C2CC2)c1[O-]	ZINC001294880298	957603820	/nfs/dbraw/zinc/60/38/20/957603820.db2.gz	WGSOIUGFZAAGFM-GFCCVEGCSA-N	-1	0	318.377	0.708	20	30		DCEDRM
N#Cc1ccc2c(c1)CN(C(=O)Cn1[n-]cc3c(=O)ncnc1-3)C2	ZINC001361419143	957949546	/nfs/dbraw/zinc/94/95/46/957949546.db2.gz	OKTZYJYOLKBKEM-UHFFFAOYSA-N	-1	0	320.312	0.485	20	30		DCEDRM
C#CC[C@H](CCOC)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001588388515	957995262	/nfs/dbraw/zinc/99/52/62/957995262.db2.gz	BTHTXBQYVRAYLA-GFCCVEGCSA-N	-1	0	318.395	0.046	20	30		DCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588388531	957995487	/nfs/dbraw/zinc/99/54/87/957995487.db2.gz	BXJOPCRVSCPLTI-WFASDCNBSA-N	-1	0	312.366	0.548	20	30		DCEDRM
C=CC(C)(C)CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001343040302	958019892	/nfs/dbraw/zinc/01/98/92/958019892.db2.gz	GNSUGTUUEDFAPT-NSHDSACASA-N	-1	0	311.382	0.964	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Cn1cccc(C(F)(F)F)c1=O	ZINC001588407448	958099570	/nfs/dbraw/zinc/09/95/70/958099570.db2.gz	NMLOBXHFNVCTJD-UHFFFAOYSA-N	-1	0	316.235	0.414	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C(=O)NC)cc1C	ZINC001588411397	958149211	/nfs/dbraw/zinc/14/92/11/958149211.db2.gz	ZAOREHWJDUNFCV-UHFFFAOYSA-N	-1	0	303.318	0.906	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nnn(CC2CCCC2)c1C	ZINC001588418959	958188638	/nfs/dbraw/zinc/18/86/38/958188638.db2.gz	XVVRGKLPSFRENI-UHFFFAOYSA-N	-1	0	304.350	0.937	20	30		DCEDRM
N#C[C@@]12CN(C(=O)c3cccc(F)c3[O-])C[C@H]1CS(=O)(=O)C2	ZINC001361679200	958208455	/nfs/dbraw/zinc/20/84/55/958208455.db2.gz	JMRBQFNJJKDZOA-XPTSAGLGSA-N	-1	0	324.333	0.542	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2[C@H]3CCCO[C@H]32)n1CC=C	ZINC001588426772	958234234	/nfs/dbraw/zinc/23/42/34/958234234.db2.gz	BKUPZTLCMCMMJI-MRVWCRGKSA-N	-1	0	316.361	0.881	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2C[C@@H]3C[C@@H](O)[C@@H]3C2)n1CC	ZINC001588426765	958234305	/nfs/dbraw/zinc/23/43/05/958234305.db2.gz	BGYDGXNFHYUCFA-YVECIDJPSA-N	-1	0	318.377	0.697	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)C(C)C)n1CC1CC1	ZINC001588427131	958239816	/nfs/dbraw/zinc/23/98/16/958239816.db2.gz	NBVQVHNLFQHEMT-ZDUSSCGKSA-N	-1	0	306.366	0.902	20	30		DCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CCO1	ZINC000093932732	958259660	/nfs/dbraw/zinc/25/96/60/958259660.db2.gz	OAQRALDXSHROBJ-SECBINFHSA-N	-1	0	314.294	0.437	20	30		DCEDRM
C#CCOCCn1nnnc1N1CCC(CCC(=O)[O-])CC1	ZINC001588431613	958272565	/nfs/dbraw/zinc/27/25/65/958272565.db2.gz	QQDSEJWJHVGFON-UHFFFAOYSA-N	-1	0	307.354	0.404	20	30		DCEDRM
C[C@H]1CCCC[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361740121	958274068	/nfs/dbraw/zinc/27/40/68/958274068.db2.gz	DFANNSMBCXNJTR-JQWIXIFHSA-N	-1	0	304.350	0.906	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cc1	ZINC001588432756	958288530	/nfs/dbraw/zinc/28/85/30/958288530.db2.gz	BWUBNAQSBUYYBF-CQSZACIVSA-N	-1	0	314.341	0.863	20	30		DCEDRM
C#CCn1ccc(CN(CC)Cc2cc(C(=O)[O-])nn2C)n1	ZINC001588433026	958290748	/nfs/dbraw/zinc/29/07/48/958290748.db2.gz	KKEYGBUFYSNBNM-UHFFFAOYSA-N	-1	0	301.350	0.970	20	30		DCEDRM
C#CCn1cc(CNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)cn1	ZINC001588433319	958294255	/nfs/dbraw/zinc/29/42/55/958294255.db2.gz	OZPAWHQNTJOKKJ-CHWSQXEVSA-N	-1	0	305.334	0.402	20	30		DCEDRM
C#Cc1ccc(C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)cn1	ZINC001588438906	958306012	/nfs/dbraw/zinc/30/60/12/958306012.db2.gz	JAVQPJIDXZDWOA-UHFFFAOYSA-N	-1	0	312.285	0.740	20	30		DCEDRM
C#Cc1ccccc1CC(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001588439038	958309566	/nfs/dbraw/zinc/30/95/66/958309566.db2.gz	GFXURXYEBHLTLX-CYBMUJFWSA-N	-1	0	301.298	0.439	20	30		DCEDRM
C=CCC1(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCOCC1	ZINC001588457737	958453812	/nfs/dbraw/zinc/45/38/12/958453812.db2.gz	KYBIGPVKXRSVKB-LRDDRELGSA-N	-1	0	309.362	0.919	20	30		DCEDRM
C=CCN(CC(=O)OCC)C(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588463261	958483059	/nfs/dbraw/zinc/48/30/59/958483059.db2.gz	JBQLOLUXQAJGKM-UHFFFAOYSA-N	-1	0	322.317	0.124	20	30		DCEDRM
C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588470395	958526360	/nfs/dbraw/zinc/52/63/60/958526360.db2.gz	LWUKBJMIBFVGDC-SNVBAGLBSA-N	-1	0	317.353	0.479	20	30		DCEDRM
COCCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001361961825	958543163	/nfs/dbraw/zinc/54/31/63/958543163.db2.gz	VJFXZYMEYOINJS-UHFFFAOYSA-N	-1	0	320.349	0.238	20	30		DCEDRM
C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001588473438	958551718	/nfs/dbraw/zinc/55/17/18/958551718.db2.gz	ZKPUGHGQSLKIKV-WDEREUQCSA-N	-1	0	319.365	0.716	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)NCCOCCOCC(=O)[O-]	ZINC001588475091	958559864	/nfs/dbraw/zinc/55/98/64/958559864.db2.gz	WPAROFSURWFSIT-NEPJUHHUSA-N	-1	0	316.354	0.137	20	30		DCEDRM
Cc1cc(F)ccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362020505	958614840	/nfs/dbraw/zinc/61/48/40/958614840.db2.gz	SKRQDEMWTOUJCL-UHFFFAOYSA-N	-1	0	302.265	0.907	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(c2cnccn2)CC1	ZINC001362043512	958646466	/nfs/dbraw/zinc/64/64/66/958646466.db2.gz	SXVKZOOQGVMGEB-UHFFFAOYSA-N	-1	0	324.344	0.720	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1ccc(C#N)cc1F)[C@H](C)C(=O)[O-]	ZINC001588508152	958747509	/nfs/dbraw/zinc/74/75/09/958747509.db2.gz	BOHFMGMNMLCZIY-SECBINFHSA-N	-1	0	321.308	0.749	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1Cc2ccccc2NC1=O	ZINC001588538275	958938986	/nfs/dbraw/zinc/93/89/86/958938986.db2.gz	GPOQUWJVARNRKE-ABAIWWIYSA-N	-1	0	301.302	0.671	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C(C)(C)C1	ZINC001588538239	958939508	/nfs/dbraw/zinc/93/95/08/958939508.db2.gz	FYSUSHRIYOHGEM-ZANVPECISA-N	-1	0	316.379	0.463	20	30		DCEDRM
CCCc1cc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n[nH]1	ZINC001362307535	959111964	/nfs/dbraw/zinc/11/19/64/959111964.db2.gz	FSDNVZLRIVXPRB-UHFFFAOYSA-N	-1	0	316.321	0.525	20	30		DCEDRM
CC(C)(NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(F)(F)F	ZINC001362529104	959530805	/nfs/dbraw/zinc/53/08/05/959530805.db2.gz	BJYUWWFXNUDACQ-UHFFFAOYSA-N	-1	0	318.255	0.668	20	30		DCEDRM
CSc1cncc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001362578848	959635281	/nfs/dbraw/zinc/63/52/81/959635281.db2.gz	VKJYWXFIBXFRKJ-UHFFFAOYSA-N	-1	0	317.330	0.576	20	30		DCEDRM
N#Cc1cccc2c1CCN2C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001362582536	959641735	/nfs/dbraw/zinc/64/17/35/959641735.db2.gz	VXLBZEOSTXSYOW-UHFFFAOYSA-N	-1	0	313.317	0.930	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2coc3ccccc23)c(=O)[n-]c1=O	ZINC001301210903	959997811	/nfs/dbraw/zinc/99/78/11/959997811.db2.gz	HLZVQOVHDUPACY-UHFFFAOYSA-N	-1	0	324.296	0.997	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])cn1	ZINC000228698872	960037728	/nfs/dbraw/zinc/03/77/28/960037728.db2.gz	HMXVTCCQQZVTOW-SNVBAGLBSA-N	-1	0	313.360	0.144	20	30		DCEDRM
CCC(C)(C)C(=O)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001305589225	960107461	/nfs/dbraw/zinc/10/74/61/960107461.db2.gz	FHPGJULESPRWBC-UHFFFAOYSA-N	-1	0	318.333	0.209	20	30		DCEDRM
N#Cc1cccc2c1CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C2	ZINC001362878845	960124074	/nfs/dbraw/zinc/12/40/74/960124074.db2.gz	BLAAMAQSAMWMIA-UHFFFAOYSA-N	-1	0	321.296	0.235	20	30		DCEDRM
C=CCNC(=O)[C@H](C)N(CC)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001317474549	960175559	/nfs/dbraw/zinc/17/55/59/960175559.db2.gz	CQESAOVRQIJTKK-NSHDSACASA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=CCCC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)OC	ZINC001309862251	960211954	/nfs/dbraw/zinc/21/19/54/960211954.db2.gz	AGWUKRWUQXXLSZ-VIFPVBQESA-N	-1	0	312.413	0.446	20	30		DCEDRM
N#C[C@]12CN(C(=O)c3c([O-])cccc3F)C[C@H]1CS(=O)(=O)C2	ZINC001363023348	960311830	/nfs/dbraw/zinc/31/18/30/960311830.db2.gz	SUWPUPUVBBAFJO-LKFCYVNXSA-N	-1	0	324.333	0.542	20	30		DCEDRM
CSCC1(CCNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001363038738	960329779	/nfs/dbraw/zinc/32/97/79/960329779.db2.gz	PIQFSTBIJIJEJF-UHFFFAOYSA-N	-1	0	322.390	0.470	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCCC12OCCO2	ZINC001363100932	960400710	/nfs/dbraw/zinc/40/07/10/960400710.db2.gz	LINDXWIUZOKAHW-NSHDSACASA-N	-1	0	303.318	0.993	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@@H]2C[C@H]2C2CCC2)c(=O)[n-]c1=O	ZINC001363107142	960407498	/nfs/dbraw/zinc/40/74/98/960407498.db2.gz	FTWKBYCEKGVUGF-AAEUAGOBSA-N	-1	0	316.361	0.763	20	30		DCEDRM
CC(C)(C)[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001363142806	960469679	/nfs/dbraw/zinc/46/96/79/960469679.db2.gz	VJBXRNFBLPTPOF-NSHDSACASA-N	-1	0	320.349	0.094	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H](C2CC2)C2CCC2)c(=O)[n-]c1=O	ZINC001363185782	960557724	/nfs/dbraw/zinc/55/77/24/960557724.db2.gz	UIVQATIMYLHSND-CQSZACIVSA-N	-1	0	316.361	0.906	20	30		DCEDRM
C[C@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@H](C)S1=O	ZINC001363229515	960649400	/nfs/dbraw/zinc/64/94/00/960649400.db2.gz	ZMVDEGIBWPUZQW-UWVGGRQHSA-N	-1	0	319.390	0.648	20	30		DCEDRM
COC(=O)[C@H]1CN(c2nnc(C)c(C)c2C#N)C[C@@H]1C(=O)[O-]	ZINC001571085679	961057134	/nfs/dbraw/zinc/05/71/34/961057134.db2.gz	SBVBNXOBRMMEOM-QWRGUYRKSA-N	-1	0	304.306	0.275	20	30		DCEDRM
CCC(C#N)(CC)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363480770	961243107	/nfs/dbraw/zinc/24/31/07/961243107.db2.gz	AVGOLTNXUQPALQ-UHFFFAOYSA-N	-1	0	303.322	0.267	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001363483990	961252371	/nfs/dbraw/zinc/25/23/71/961252371.db2.gz	FCFJHHAEBXYZGH-JGZJWPJOSA-N	-1	0	303.318	0.991	20	30		DCEDRM
N#Cc1csc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])n1	ZINC001571126143	961499606	/nfs/dbraw/zinc/49/96/06/961499606.db2.gz	NXYZGOJBDZHENY-VIFPVBQESA-N	-1	0	315.376	0.088	20	30		DCEDRM
O=C([O-])[C@@H]1CC[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1	ZINC001332414644	961563520	/nfs/dbraw/zinc/56/35/20/961563520.db2.gz	ZTFDXWKXQCLAGV-HMMHSFKJSA-N	-1	0	321.333	0.272	20	30		DCEDRM
N#CCCn1ccc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1	ZINC001574480139	961658188	/nfs/dbraw/zinc/65/81/88/961658188.db2.gz	BRHVAXXOQHYNJX-JTQLQIEISA-N	-1	0	319.321	0.058	20	30		DCEDRM
CCc1ncoc1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001363680426	961684047	/nfs/dbraw/zinc/68/40/47/961684047.db2.gz	GAXGQCPAFTZGAE-UHFFFAOYSA-N	-1	0	315.289	0.068	20	30		DCEDRM
N#Cc1ccc(CN2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)s1	ZINC001571143868	961699692	/nfs/dbraw/zinc/69/96/92/961699692.db2.gz	AKATWDBNDQBWKJ-QWHCGFSZSA-N	-1	0	319.386	0.985	20	30		DCEDRM
C[C@@H](C[C@H](O)c1ccco1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363723971	961766962	/nfs/dbraw/zinc/76/69/62/961766962.db2.gz	ATXLCLFUCOBIIO-WPRPVWTQSA-N	-1	0	304.306	0.462	20	30		DCEDRM
CC(C)OC(=O)CC[C@@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363730977	961777055	/nfs/dbraw/zinc/77/70/55/961777055.db2.gz	LRNWRCUMKNZYKK-SECBINFHSA-N	-1	0	308.338	0.477	20	30		DCEDRM
Cc1nnc(CCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)s1	ZINC001571159131	961904242	/nfs/dbraw/zinc/90/42/42/961904242.db2.gz	YZLQIHFEOLMPIN-UHFFFAOYSA-N	-1	0	323.378	0.789	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)c3ccccc3F)C2)c(=O)[n-]c1=O	ZINC001363965091	962204909	/nfs/dbraw/zinc/20/49/09/962204909.db2.gz	WUYGETUVEUVKGW-UHFFFAOYSA-N	-1	0	314.276	0.657	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H]1C(=O)N(C)C	ZINC001363988865	962250564	/nfs/dbraw/zinc/25/05/64/962250564.db2.gz	ASRNLUGZBVDPTK-NSHDSACASA-N	-1	0	302.334	0.660	20	30		DCEDRM
N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@@H]1C(=O)[O-])CC2	ZINC001345470260	962269667	/nfs/dbraw/zinc/26/96/67/962269667.db2.gz	PNHRKNUZNWXBAW-GFCCVEGCSA-N	-1	0	313.313	0.523	20	30		DCEDRM
C[C@@H]1CCC[C@@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)O1	ZINC001364045365	962362735	/nfs/dbraw/zinc/36/27/35/962362735.db2.gz	OWGBCYUGESHUMC-PWSUYJOCSA-N	-1	0	320.349	0.284	20	30		DCEDRM
Cc1csc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001364106278	962482704	/nfs/dbraw/zinc/48/27/04/962482704.db2.gz	DGSFGGWSKXPONT-UHFFFAOYSA-N	-1	0	304.331	0.621	20	30		DCEDRM
Cc1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)oc1C	ZINC001364109569	962489531	/nfs/dbraw/zinc/48/95/31/962489531.db2.gz	RTMZSRDRTXIXPT-UHFFFAOYSA-N	-1	0	302.290	0.460	20	30		DCEDRM
C[C@H](O)c1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001364144121	962550150	/nfs/dbraw/zinc/55/01/50/962550150.db2.gz	HYJAXTLLCDHYDV-VIFPVBQESA-N	-1	0	300.318	0.611	20	30		DCEDRM
C=CCN1CCC(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1	ZINC001352066625	962623944	/nfs/dbraw/zinc/62/39/44/962623944.db2.gz	KBVPWFMNUGQRQB-UHFFFAOYSA-N	-1	0	313.379	0.642	20	30		DCEDRM
C#CCCCCCC(=O)N(C)C[C@@H]1CCN1C(=O)CNC(=O)[O-]	ZINC001573301950	962641751	/nfs/dbraw/zinc/64/17/51/962641751.db2.gz	NCDPHMPFABOFBX-ZDUSSCGKSA-N	-1	0	323.393	0.897	20	30		DCEDRM
C#CCC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(=O)[O-])CCC1	ZINC001573302544	962654976	/nfs/dbraw/zinc/65/49/76/962654976.db2.gz	CHYLSQBKXYCPEL-PJXYFTJBSA-N	-1	0	319.361	0.021	20	30		DCEDRM
C#CCC1(C(=O)N[C@H](C)CN(C)C(=O)CNC(=O)[O-])CCC1	ZINC001573303984	962682819	/nfs/dbraw/zinc/68/28/19/962682819.db2.gz	VKGWAKGEXHKAQL-LLVKDONJSA-N	-1	0	309.366	0.411	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H](C1CC1)N(C)C(=O)CNC(=O)[O-]	ZINC001573303998	962684588	/nfs/dbraw/zinc/68/45/88/962684588.db2.gz	WFCXVIHDONSSAZ-LBPRGKRZSA-N	-1	0	309.366	0.411	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H]1CCN(C(=O)CNC(=O)[O-])C[C@@H]1C	ZINC001573304031	962684889	/nfs/dbraw/zinc/68/48/89/962684889.db2.gz	XFDSRMMIAWDZJD-STQMWFEESA-N	-1	0	323.393	0.658	20	30		DCEDRM
Cn1c(=O)[n-]c(NC2CC(NCC(F)(F)F)C2)c(C#N)c1=O	ZINC001364260820	962769474	/nfs/dbraw/zinc/76/94/74/962769474.db2.gz	XIPFMSOFQQUTIM-UHFFFAOYSA-N	-1	0	317.271	0.040	20	30		DCEDRM
COc1ccc(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)cc1OC	ZINC001364282440	962811151	/nfs/dbraw/zinc/81/11/51/962811151.db2.gz	VRAQHFGABHNMGM-UHFFFAOYSA-N	-1	0	315.285	0.308	20	30		DCEDRM
CC(C)[C@@H]1C[C@H]1NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001364288334	962830363	/nfs/dbraw/zinc/83/03/63/962830363.db2.gz	OBJQOXFQAHIOSN-WDEREUQCSA-N	-1	0	305.338	0.164	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)OC	ZINC001573332657	962838575	/nfs/dbraw/zinc/83/85/75/962838575.db2.gz	MPKJRTSEHQCTNF-NEPJUHHUSA-N	-1	0	313.350	0.882	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(F)c(OC)c1)C(=O)[O-]	ZINC000276282980	962843384	/nfs/dbraw/zinc/84/33/84/962843384.db2.gz	UOBSQJPTTICFGU-SNVBAGLBSA-N	-1	0	301.295	0.589	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCCNC(=O)c1ccc(OC)cc1	ZINC001573332945	962845996	/nfs/dbraw/zinc/84/59/96/962845996.db2.gz	RPMHGALXLHXZBB-UHFFFAOYSA-N	-1	0	320.345	0.962	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N(C)[C@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573338721	962879507	/nfs/dbraw/zinc/87/95/07/962879507.db2.gz	HEXWMDWODAZFFQ-MRVPVSSYSA-N	-1	0	319.789	0.996	20	30		DCEDRM
C=C(Cl)CN1CCCC2(CN(C(=O)CNC(=O)[O-])C2)C1	ZINC001573339834	962896013	/nfs/dbraw/zinc/89/60/13/962896013.db2.gz	YGMVTLKLUBDXBW-UHFFFAOYSA-N	-1	0	301.774	0.931	20	30		DCEDRM
C=CCCC(=O)N1CCC(Nc2ccnc(C(=O)[O-])n2)CC1	ZINC001573353066	962996202	/nfs/dbraw/zinc/99/62/02/962996202.db2.gz	OOLKGKDDSDUVLQ-UHFFFAOYSA-N	-1	0	304.350	0.966	20	30		DCEDRM
C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C[C@@H]2C1	ZINC001573353255	962999421	/nfs/dbraw/zinc/99/94/21/962999421.db2.gz	SQMRYKHXLAYKLO-YVECIDJPSA-N	-1	0	306.362	0.590	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCSc1n[nH]c(C)n1)C(=O)[O-]	ZINC001573369744	963101968	/nfs/dbraw/zinc/10/19/68/963101968.db2.gz	ZDSHAIXTBZFYNU-SECBINFHSA-N	-1	0	314.367	0.367	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)C(=O)[O-]	ZINC001573369757	963102043	/nfs/dbraw/zinc/10/20/43/963102043.db2.gz	ZLTIEYSPVILZAW-JTQLQIEISA-N	-1	0	307.306	0.445	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001573379836	963111559	/nfs/dbraw/zinc/11/15/59/963111559.db2.gz	YUTHLBHEMVWCQM-ONGXEEELSA-N	-1	0	314.363	0.593	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC001588435306	964019667	/nfs/dbraw/zinc/01/96/67/964019667.db2.gz	KVDHPFHBYPVDET-ZDUSSCGKSA-N	-1	0	320.345	0.837	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC001588435321	964020242	/nfs/dbraw/zinc/02/02/42/964020242.db2.gz	LMRKMCBMAQZQKA-LBPRGKRZSA-N	-1	0	311.359	0.746	20	30		DCEDRM
C#CCCCc1nnc(N2CC[C@@](OC)(C(=O)[O-])C2)n1CC	ZINC001588446318	964071410	/nfs/dbraw/zinc/07/14/10/964071410.db2.gz	DVTTYWVHEOAJTJ-HNNXBMFYSA-N	-1	0	306.366	0.934	20	30		DCEDRM
C#CCCCS(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001588446526	964074687	/nfs/dbraw/zinc/07/46/87/964074687.db2.gz	KDTIRMORHZHJRR-UHFFFAOYSA-N	-1	0	314.363	0.425	20	30		DCEDRM
CCO[C@@H]1C[C@@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)[C@@H]1OC	ZINC001448120937	1013765574	/nfs/dbraw/zinc/76/55/74/1013765574.db2.gz	QQVYJFPWRVSLHX-WZRBSPASSA-N	-1	0	305.334	0.890	20	30		DCEDRM
C=CCCOCCCCC(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001448341844	1013878890	/nfs/dbraw/zinc/87/88/90/1013878890.db2.gz	IFEQFJZRFRHBKD-UHFFFAOYSA-N	-1	0	323.397	0.773	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(CC(F)(F)F)n1	ZINC001515343149	1017117552	/nfs/dbraw/zinc/11/75/52/1017117552.db2.gz	JXISDSDVMSNOQJ-MRVPVSSYSA-N	-1	0	318.255	0.530	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)Cc1cccc(F)c1	ZINC001609692929	970451481	/nfs/dbraw/zinc/45/14/81/970451481.db2.gz	FWXSEIHSTXZAOO-IUODEOHRSA-N	-1	0	308.309	0.850	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1	ZINC001609693110	970453917	/nfs/dbraw/zinc/45/39/17/970453917.db2.gz	VJXUFSJQLQATGA-IUODEOHRSA-N	-1	0	317.301	0.854	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC001609701303	970473191	/nfs/dbraw/zinc/47/31/91/970473191.db2.gz	YRAPMIRSRRBKLT-MFKMUULPSA-N	-1	0	315.329	0.496	20	30		DCEDRM
CC1(C#N)CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1	ZINC001603290430	972545401	/nfs/dbraw/zinc/54/54/01/972545401.db2.gz	MEFDOECJEOWSIY-UHFFFAOYSA-N	-1	0	321.377	0.898	20	30		DCEDRM
CN(Cc1ccc(C(N)=O)cc1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001604187379	972613932	/nfs/dbraw/zinc/61/39/32/972613932.db2.gz	QHDALTJPLCZYLV-HNNXBMFYSA-N	-1	0	303.318	0.748	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(c1ncncc1C#N)C[C@@H]2C(=O)[O-]	ZINC001604289368	972883523	/nfs/dbraw/zinc/88/35/23/972883523.db2.gz	GPJZQFQIYWCHJK-QMJNDHNRSA-N	-1	0	316.317	0.438	20	30		DCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)CC1(C#N)CCOCC1	ZINC001604303713	972950893	/nfs/dbraw/zinc/95/08/93/972950893.db2.gz	XGPJHIHHGSNMRG-UHFFFAOYSA-N	-1	0	312.322	0.173	20	30		DCEDRM
COC(=O)CC[C@H](NC(=O)c1cc(C)c(C#N)cn1)C(=O)[O-]	ZINC001604321472	972998066	/nfs/dbraw/zinc/99/80/66/972998066.db2.gz	WGHWUEVWHBNPQF-JTQLQIEISA-N	-1	0	305.290	0.398	20	30		DCEDRM
COC(=O)c1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])nc1	ZINC001604385244	973105847	/nfs/dbraw/zinc/10/58/47/973105847.db2.gz	FPIUIYHIHPRGJR-AWEZNQCLSA-N	-1	0	305.290	0.489	20	30		DCEDRM
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C[C@H]1C(=O)[O-]	ZINC001603431975	973182293	/nfs/dbraw/zinc/18/22/93/973182293.db2.gz	AGZKAYPOCABTEE-MWLCHTKSSA-N	-1	0	309.347	0.685	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)C#Cc2cccs2)CCO1	ZINC001604541727	973525308	/nfs/dbraw/zinc/52/53/08/973525308.db2.gz	TXYRTEHPPUOAOS-AWEZNQCLSA-N	-1	0	309.343	0.428	20	30		DCEDRM
COCCN(CCC(=O)[O-])C(=O)N[C@@H](CC#N)C(F)(F)F	ZINC001604597050	973690653	/nfs/dbraw/zinc/69/06/53/973690653.db2.gz	YBCKSLMYQXNCCD-QMMMGPOBSA-N	-1	0	311.260	0.964	20	30		DCEDRM
N#C[C@@H](C(=O)COCC(=O)[O-])C(=O)NCc1cccc(Cl)c1	ZINC001605576661	973849854	/nfs/dbraw/zinc/84/98/54/973849854.db2.gz	PZWFZDQCBGICFD-NSHDSACASA-N	-1	0	324.720	0.766	20	30		DCEDRM
N#Cc1ccccc1/C=C\C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001605620326	973943623	/nfs/dbraw/zinc/94/36/23/973943623.db2.gz	ZPJQEYFAFXQBEE-SZZPACECSA-N	-1	0	314.297	0.800	20	30		DCEDRM
N#Cc1ncn(CCNC(=O)Nc2ccnc(C(=O)[O-])c2)n1	ZINC001605625808	973950286	/nfs/dbraw/zinc/95/02/86/973950286.db2.gz	AHHACQMPUHKTLG-UHFFFAOYSA-N	-1	0	301.266	0.065	20	30		DCEDRM
COc1ccc2c(c1)C(=NOCC(=O)NCC(=O)[O-])CCO2	ZINC001604843311	974081412	/nfs/dbraw/zinc/08/14/12/974081412.db2.gz	RDQJCEQIVWZVPF-UHFFFAOYSA-N	-1	0	308.290	0.399	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001592221573	977400930	/nfs/dbraw/zinc/40/09/30/977400930.db2.gz	KWIUVXUUPLCVDL-UMNHJUIQSA-N	-1	0	303.384	0.508	20	30		DCEDRM
O=C([O-])c1ccc(S(=O)(=O)NCC#CCO)cc1Cl	ZINC000717498859	977901893	/nfs/dbraw/zinc/90/18/93/977901893.db2.gz	ZJQHBNIQHMICAY-UHFFFAOYSA-N	-1	0	303.723	0.312	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)C(=O)C#CC(C)C)C2)c1[O-]	ZINC001523094573	1014555919	/nfs/dbraw/zinc/55/59/19/1014555919.db2.gz	DGZYBTDCLDUDDK-GFCCVEGCSA-N	-1	0	318.377	0.756	20	30		DCEDRM
CC[C@H](CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1)C(=O)[O-]	ZINC001595134607	979567438	/nfs/dbraw/zinc/56/74/38/979567438.db2.gz	YYIPGCUCGYUIBG-SECBINFHSA-N	-1	0	304.306	0.427	20	30		DCEDRM
C[C@@H](NC(=O)C(=O)NCCCC#N)c1ncc(C(=O)[O-])s1	ZINC001592981076	980154519	/nfs/dbraw/zinc/15/45/19/980154519.db2.gz	NIQBAXLWCLWPHK-SSDOTTSWSA-N	-1	0	310.335	0.438	20	30		DCEDRM
C[C@H](C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)n1cnc(C#N)n1	ZINC001592990286	980177853	/nfs/dbraw/zinc/17/78/53/980177853.db2.gz	PIVKFLNTKLONAH-NKWVEPMBSA-N	-1	0	320.334	0.743	20	30		DCEDRM
CC[C@@H](C(=O)[O-])C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC001594745167	981630451	/nfs/dbraw/zinc/63/04/51/981630451.db2.gz	MAMUIZKXVMIXJC-LLVKDONJSA-N	-1	0	319.365	0.360	20	30		DCEDRM
COCc1nn(C)cc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC001524104606	1014855166	/nfs/dbraw/zinc/85/51/66/1014855166.db2.gz	HHZIPZGNNIDYFG-NSHDSACASA-N	-1	0	304.350	0.948	20	30		DCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC001588368225	983304672	/nfs/dbraw/zinc/30/46/72/983304672.db2.gz	INBPQECLPVVYRQ-SECBINFHSA-N	-1	0	304.302	0.608	20	30		DCEDRM
C#C[C@H]([C@H]1CCCO1)N1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O	ZINC001588369649	983316088	/nfs/dbraw/zinc/31/60/88/983316088.db2.gz	RUMJUIJRCPUUJA-YZUGKSJVSA-N	-1	0	320.345	0.733	20	30		DCEDRM
CCCc1c(C(=O)NCC(=O)NCC#N)[nH]c(C)c1C(=O)[O-]	ZINC001596037510	983320785	/nfs/dbraw/zinc/32/07/85/983320785.db2.gz	PHZQNVFUJVRHLX-UHFFFAOYSA-N	-1	0	306.322	0.343	20	30		DCEDRM
C#C[C@H](NC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)C(C)C	ZINC001588372074	983328091	/nfs/dbraw/zinc/32/80/91/983328091.db2.gz	CKGPJNBSOHZQKQ-MNOVXSKESA-N	-1	0	305.338	0.591	20	30		DCEDRM
C#C[C@@H](NC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1)C(C)C	ZINC001588372693	983333162	/nfs/dbraw/zinc/33/31/62/983333162.db2.gz	QRONLSKAUVURLK-GFCCVEGCSA-N	-1	0	319.365	0.981	20	30		DCEDRM
C#CC[C@@H](CO)NC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588393250	983397180	/nfs/dbraw/zinc/39/71/80/983397180.db2.gz	DWQKRNUNYJHONV-OOLXCHQQSA-N	-1	0	310.350	0.082	20	30		DCEDRM
C#CC[C@H](COC)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588394599	983403409	/nfs/dbraw/zinc/40/34/09/983403409.db2.gz	OCDHFEXFFCHEEX-CYBMUJFWSA-N	-1	0	318.329	0.407	20	30		DCEDRM
C#CC[C@@H](NC(=O)CCn1c2ccccc2n(C)c1=O)C(=O)[O-]	ZINC001588406083	983423737	/nfs/dbraw/zinc/42/37/37/983423737.db2.gz	XEUTZPMSLCNSFM-LLVKDONJSA-N	-1	0	315.329	0.323	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CSCN1C(=O)OCC)C(=O)[O-]	ZINC001588407025	983427123	/nfs/dbraw/zinc/42/71/23/983427123.db2.gz	URLCIHBFPMBBPP-IUCAKERBSA-N	-1	0	300.336	0.111	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)[O-]	ZINC001588428169	983460203	/nfs/dbraw/zinc/46/02/03/983460203.db2.gz	DWWXZAGXPXUTIX-SSDOTTSWSA-N	-1	0	304.305	0.411	20	30		DCEDRM
C#CCC1(C(=O)N(C)CCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001588428296	983460950	/nfs/dbraw/zinc/46/09/50/983460950.db2.gz	JHZJBINKMXIFIX-STQMWFEESA-N	-1	0	320.389	0.865	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)[O-]	ZINC001588428748	983463746	/nfs/dbraw/zinc/46/37/46/983463746.db2.gz	ZVKSWMGKAIXHEG-SECBINFHSA-N	-1	0	323.286	0.221	20	30		DCEDRM
C#CCCCC(=O)NCC[C@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588435076	983474371	/nfs/dbraw/zinc/47/43/71/983474371.db2.gz	BJPBHXWOALIYQT-NSHDSACASA-N	-1	0	304.350	0.707	20	30		DCEDRM
C#CCCN1CCN([C@H]2CCCN(CCC(=O)[O-])C2=O)CC1	ZINC001588453833	983477948	/nfs/dbraw/zinc/47/79/48/983477948.db2.gz	XUQPWILYMIBLRN-AWEZNQCLSA-N	-1	0	307.394	0.093	20	30		DCEDRM
C#CCCOc1ccc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1	ZINC001588455924	983480928	/nfs/dbraw/zinc/48/09/28/983480928.db2.gz	WYAMXWKXSLQDOY-MRXNPFEDSA-N	-1	0	303.314	0.750	20	30		DCEDRM
C#CCN(C(=O)c1cccc(C(=O)[O-])n1)[C@H]1CCS(=O)(=O)C1	ZINC001588461271	983489375	/nfs/dbraw/zinc/48/93/75/983489375.db2.gz	KCJJNXKNWGAATO-JTQLQIEISA-N	-1	0	322.342	0.042	20	30		DCEDRM
C#CCN(CC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)C(=O)OC(C)(C)C	ZINC001588465751	983496086	/nfs/dbraw/zinc/49/60/86/983496086.db2.gz	FVSAMXXCGKEKGT-PJXYFTJBSA-N	-1	0	322.361	0.646	20	30		DCEDRM
C#CCN(CC1CC1)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001588468350	983500831	/nfs/dbraw/zinc/50/08/31/983500831.db2.gz	WLPFMEIAVPPKSN-UHFFFAOYSA-N	-1	0	303.318	0.534	20	30		DCEDRM
C#CCN(Cc1ccc(/C=C/C(=O)[O-])o1)[C@H]1CCS(=O)(=O)C1	ZINC001588469989	983504318	/nfs/dbraw/zinc/50/43/18/983504318.db2.gz	XUYNKEDRWLGCGA-FYJFLYSWSA-N	-1	0	323.370	1.000	20	30		DCEDRM
C#CCN1CCCC[C@H]1c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C	ZINC001588477412	983516343	/nfs/dbraw/zinc/51/63/43/983516343.db2.gz	PSGUSDULPOIXSQ-OLZOCXBDSA-N	-1	0	317.393	0.886	20	30		DCEDRM
C#CCO[C@H](C)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001588490054	983530593	/nfs/dbraw/zinc/53/05/93/983530593.db2.gz	GGNBLZHBTFADKO-LLVKDONJSA-N	-1	0	318.329	0.407	20	30		DCEDRM
C#CCOCCC(=O)N[C@H](C)[C@@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001588490235	983531400	/nfs/dbraw/zinc/53/14/00/983531400.db2.gz	WHXJHMJDXCYNQH-GHMZBOCLSA-N	-1	0	320.349	0.520	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NCCN(CC)c1ncc(C(=O)[O-])cn1	ZINC001588490536	983533148	/nfs/dbraw/zinc/53/31/48/983533148.db2.gz	OQLVHWPLKHGNRO-LLVKDONJSA-N	-1	0	320.349	0.156	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1ccc(OC)cc1C(=O)[O-]	ZINC001588491199	983535380	/nfs/dbraw/zinc/53/53/80/983535380.db2.gz	HZRBRDHZFXRIKB-UHFFFAOYSA-N	-1	0	313.331	0.322	20	30		DCEDRM
C#CCOc1ccc(N2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)cc1	ZINC001588497921	983542087	/nfs/dbraw/zinc/54/20/87/983542087.db2.gz	LLUKHGBAPXHWSC-JHJVBQTASA-N	-1	0	314.297	0.844	20	30		DCEDRM
C#CCOc1ccc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)cc1	ZINC001588499195	983544930	/nfs/dbraw/zinc/54/49/30/983544930.db2.gz	PCWXLLIGWYSHIH-MRXNPFEDSA-N	-1	0	303.314	0.920	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)NCC1(C(=O)[O-])CC1	ZINC001588504446	983547743	/nfs/dbraw/zinc/54/77/43/983547743.db2.gz	AZSFVFDHFUPHDE-UHFFFAOYSA-N	-1	0	316.313	0.618	20	30		DCEDRM
C#Cc1ccc(S(=O)(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)cc1	ZINC001588517939	983567094	/nfs/dbraw/zinc/56/70/94/983567094.db2.gz	JZAUDBMVQKCOJP-JSGCOSHPSA-N	-1	0	323.370	0.684	20	30		DCEDRM
C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c1	ZINC001588522403	983571192	/nfs/dbraw/zinc/57/11/92/983571192.db2.gz	WKARPJDBBZOBRY-KGLIPLIRSA-N	-1	0	314.341	0.858	20	30		DCEDRM
C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H]2C(=O)[O-])c1	ZINC001588524814	983576233	/nfs/dbraw/zinc/57/62/33/983576233.db2.gz	TURWLWQNZGBZIJ-CYBMUJFWSA-N	-1	0	315.329	0.865	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588536516	983594297	/nfs/dbraw/zinc/59/42/97/983594297.db2.gz	YBVHTNPOFMKVAV-NDBYEHHHSA-N	-1	0	324.377	0.453	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)[O-]	ZINC001588541082	983606307	/nfs/dbraw/zinc/60/63/07/983606307.db2.gz	RTVRAOKMLOPTMJ-MNOVXSKESA-N	-1	0	303.380	0.737	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CNC(=O)c1ccccc1OC)C(=O)[O-]	ZINC001588542750	983609496	/nfs/dbraw/zinc/60/94/96/983609496.db2.gz	PVFUIRVIHFIEDL-LBPRGKRZSA-N	-1	0	320.345	0.961	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC001596231545	983626708	/nfs/dbraw/zinc/62/67/08/983626708.db2.gz	PQQNNALRQRYSIN-PWSUYJOCSA-N	-1	0	317.411	0.803	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001596231673	983627195	/nfs/dbraw/zinc/62/71/95/983627195.db2.gz	RXXDZVPSCMNTRV-TUAOUCFPSA-N	-1	0	317.411	0.946	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001596231895	983627435	/nfs/dbraw/zinc/62/74/35/983627435.db2.gz	VZKCUYVYEHUYTA-QJPTWQEYSA-N	-1	0	317.411	0.755	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)OCCc1cn(CC(=O)[O-])nn1	ZINC001588605890	983695166	/nfs/dbraw/zinc/69/51/66/983695166.db2.gz	QLEWQLYLWBBXQV-DGCLKSJQSA-N	-1	0	309.322	0.430	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1CS(C)(=O)=O	ZINC001588615124	983710137	/nfs/dbraw/zinc/71/01/37/983710137.db2.gz	KXGXJJQNTVSHAJ-NSHDSACASA-N	-1	0	303.380	0.833	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCS(=O)(=O)C[C@@H]1C1CC1	ZINC001588619391	983716819	/nfs/dbraw/zinc/71/68/19/983716819.db2.gz	RYNPQMVJQWHCTM-LLVKDONJSA-N	-1	0	301.364	0.443	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-]	ZINC001596299345	983723336	/nfs/dbraw/zinc/72/33/36/983723336.db2.gz	CSTUTNODALPIPO-TUAOUCFPSA-N	-1	0	315.395	0.652	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N(C)[C@@H](COC(C)C)C(=O)[O-]	ZINC001596299572	983724824	/nfs/dbraw/zinc/72/48/24/983724824.db2.gz	POJPQBNMAOTERX-NSHDSACASA-N	-1	0	321.399	0.277	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC001596300286	983728917	/nfs/dbraw/zinc/72/89/17/983728917.db2.gz	STJVMQQMSFPBKE-SSDOTTSWSA-N	-1	0	317.289	0.462	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588643363	983766125	/nfs/dbraw/zinc/76/61/25/983766125.db2.gz	GZMPDLHQLILVAP-NEPJUHHUSA-N	-1	0	308.378	0.980	20	30		DCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588644349	983769535	/nfs/dbraw/zinc/76/95/35/983769535.db2.gz	QWKWQWMGFBPYKX-OZVIIMIRSA-N	-1	0	322.361	0.398	20	30		DCEDRM
CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccnc(C#N)n1	ZINC001596332485	983770420	/nfs/dbraw/zinc/77/04/20/983770420.db2.gz	JFRRLSTWBSWYCH-VHSXEESVSA-N	-1	0	303.322	0.011	20	30		DCEDRM
C=CC(C)(C)C(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1	ZINC001588671927	983823305	/nfs/dbraw/zinc/82/33/05/983823305.db2.gz	KKWCAYJJCAEKAV-UHFFFAOYSA-N	-1	0	304.350	0.870	20	30		DCEDRM
C=CC(C)(C)CCCn1nnnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588677068	983833289	/nfs/dbraw/zinc/83/32/89/983833289.db2.gz	NOAZKCOPDGRPQT-LLVKDONJSA-N	-1	0	309.370	0.955	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NCC[C@@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588684433	983859661	/nfs/dbraw/zinc/85/96/61/983859661.db2.gz	QTUNKLLYAJXKCP-BMIGLBTASA-N	-1	0	322.365	0.231	20	30		DCEDRM
C=CCC(F)(F)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588743994	984040638	/nfs/dbraw/zinc/04/06/38/984040638.db2.gz	GKYANTRRMKLVQQ-QMMMGPOBSA-N	-1	0	300.265	0.961	20	30		DCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC001588744563	984044248	/nfs/dbraw/zinc/04/42/48/984044248.db2.gz	OVTSSJPMNKVJJT-LLVKDONJSA-N	-1	0	306.318	0.685	20	30		DCEDRM
C=CC[C@H](OC(=O)CN1CCN(c2ccccn2)CC1)C(=O)[O-]	ZINC001588753276	984084341	/nfs/dbraw/zinc/08/43/41/984084341.db2.gz	DTYUYWBSFZLIOG-ZDUSSCGKSA-N	-1	0	319.361	0.776	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)COCc2ocnc2C(=O)[O-])CC1	ZINC001588769519	984134158	/nfs/dbraw/zinc/13/41/58/984134158.db2.gz	WHPDQSKMYJISRX-UHFFFAOYSA-N	-1	0	324.333	0.819	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)C(=O)[O-]	ZINC001588789914	984202192	/nfs/dbraw/zinc/20/21/92/984202192.db2.gz	MVKISDDIWFQRRI-LLVKDONJSA-N	-1	0	315.391	0.737	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)[C@H]1CC(=O)N(CC)C1)C(=O)[O-]	ZINC001588797892	984231515	/nfs/dbraw/zinc/23/15/15/984231515.db2.gz	MYMDKALIWJTEAM-WDEREUQCSA-N	-1	0	318.395	0.336	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C(=O)OC	ZINC001588797933	984232388	/nfs/dbraw/zinc/23/23/88/984232388.db2.gz	OHOLCWJSALITNO-SNVBAGLBSA-N	-1	0	319.379	0.811	20	30		DCEDRM
C=CCCC[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1)C(=O)[O-]	ZINC001588798789	984238853	/nfs/dbraw/zinc/23/88/53/984238853.db2.gz	RBWBJLHQQOGDKV-OUAUKWLOSA-N	-1	0	319.379	0.667	20	30		DCEDRM
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12	ZINC001588828848	984310361	/nfs/dbraw/zinc/31/03/61/984310361.db2.gz	QUUZZWBSKBDDFR-QNWHQSFQSA-N	-1	0	324.377	0.263	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)S(=O)(=O)Cc1cccc(C(=O)[O-])n1	ZINC001588838972	984343464	/nfs/dbraw/zinc/34/34/64/984343464.db2.gz	NICZFKSDAWISRB-SECBINFHSA-N	-1	0	312.347	0.385	20	30		DCEDRM
C=CCN1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)C1	ZINC001588839267	984346173	/nfs/dbraw/zinc/34/61/73/984346173.db2.gz	QHODRIKUJWURPD-QWHCGFSZSA-N	-1	0	308.378	0.587	20	30		DCEDRM
C=CCOCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588851135	984383295	/nfs/dbraw/zinc/38/32/95/984383295.db2.gz	WCAVLCFTUCZBIC-PHIMTYICSA-N	-1	0	320.349	0.106	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)CCc1nnc(C(C)C)o1)C(=O)[O-]	ZINC001588853791	984386243	/nfs/dbraw/zinc/38/62/43/984386243.db2.gz	INLIJCUWKDPXGY-SNVBAGLBSA-N	-1	0	311.338	0.898	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC001588855978	984395677	/nfs/dbraw/zinc/39/56/77/984395677.db2.gz	SYPGGVZQIIJRGA-BXKDBHETSA-N	-1	0	309.366	0.912	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CNC(=O)c2ccccc21)C(=O)[O-]	ZINC001588856195	984397830	/nfs/dbraw/zinc/39/78/30/984397830.db2.gz	WEIXJGBPYMROBP-OLZOCXBDSA-N	-1	0	318.329	0.286	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@]1(C2CCCC2)CCNC1=O)C(=O)[O-]	ZINC001588856339	984399012	/nfs/dbraw/zinc/39/90/12/984399012.db2.gz	YETUHAGMHLBAJW-LRDDRELGSA-N	-1	0	324.377	0.455	20	30		DCEDRM
C=CCOC[C@H](NC(=O)Cc1c[nH]c2cnccc12)C(=O)[O-]	ZINC001588856958	984402339	/nfs/dbraw/zinc/40/23/39/984402339.db2.gz	UANAHSQLUQVQTA-ZDUSSCGKSA-N	-1	0	303.318	0.877	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1[nH]c(C)c(C(N)=O)c1CC)C(=O)[O-]	ZINC001588856992	984402561	/nfs/dbraw/zinc/40/25/61/984402561.db2.gz	UPJBOWIFVXLJKT-JTQLQIEISA-N	-1	0	323.349	0.370	20	30		DCEDRM
C=CCOc1ccc(C(=O)NC[C@H](O)CC(=O)[O-])cc1OC	ZINC001588869634	984440393	/nfs/dbraw/zinc/44/03/93/984440393.db2.gz	RQGFZNCGQBJPIZ-LLVKDONJSA-N	-1	0	309.318	0.825	20	30		DCEDRM
C=CCSCCNC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588879626	984458409	/nfs/dbraw/zinc/45/84/09/984458409.db2.gz	HUKDINWUWXUJIC-UWVGGRQHSA-N	-1	0	316.379	0.421	20	30		DCEDRM
C=CCn1c([C@@H](CC)CO)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588896504	984502040	/nfs/dbraw/zinc/50/20/40/984502040.db2.gz	RPFJCBNHEPQMBW-NHYWBVRUSA-N	-1	0	324.381	0.630	20	30		DCEDRM
C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588897343	984509450	/nfs/dbraw/zinc/50/94/50/984509450.db2.gz	QDTBINZNLXGHKA-UEKVPHQBSA-N	-1	0	317.349	0.771	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)nn1	ZINC001588910159	984547762	/nfs/dbraw/zinc/54/77/62/984547762.db2.gz	NKTUVEMAVXUNMG-OAHLLOKOSA-N	-1	0	315.333	0.979	20	30		DCEDRM
C=CCn1cc(C(=O)N(CC(=O)[O-])c2cccc(C)n2)nn1	ZINC001588910397	984549217	/nfs/dbraw/zinc/54/92/17/984549217.db2.gz	WVGIYOUNJUFKNE-UHFFFAOYSA-N	-1	0	301.306	0.899	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588925490	984587632	/nfs/dbraw/zinc/58/76/32/984587632.db2.gz	RPPHYUBNAVKPMI-VIFPVBQESA-N	-1	0	301.320	0.339	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588927049	984596565	/nfs/dbraw/zinc/59/65/65/984596565.db2.gz	KEBRVQKNKBIQED-RFQIPJPRSA-N	-1	0	320.389	0.912	20	30		DCEDRM
CC#CCn1nnnc1N1CCOc2c(cccc2C(=O)[O-])C1	ZINC001588931777	984603490	/nfs/dbraw/zinc/60/34/90/984603490.db2.gz	BAJZVIZEJBDOAT-UHFFFAOYSA-N	-1	0	313.317	0.794	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C[C@]1(C)C(=O)[O-]	ZINC001599910493	984979225	/nfs/dbraw/zinc/97/92/25/984979225.db2.gz	WYRHURZTLUPMON-UVBJJODRSA-N	-1	0	321.377	0.708	20	30		DCEDRM
C[C@@H](C#N)C(=O)N(C)[C@H](CNc1ncc(C(=O)[O-])cn1)C1CC1	ZINC001589323925	986152102	/nfs/dbraw/zinc/15/21/02/986152102.db2.gz	RHFCBYWOVYRQMB-JOYOIKCWSA-N	-1	0	317.349	0.983	20	30		DCEDRM
C[C@H](C#N)C(=O)N(C)[C@@H](CNc1ncc(C(=O)[O-])cn1)C1CC1	ZINC001589323926	986152573	/nfs/dbraw/zinc/15/25/73/986152573.db2.gz	RHFCBYWOVYRQMB-SKDRFNHKSA-N	-1	0	317.349	0.983	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)[C@@H]1C	ZINC001589328406	986156699	/nfs/dbraw/zinc/15/66/99/986156699.db2.gz	BCODABOOPOVCQN-KKZNHRDASA-N	-1	0	303.322	0.418	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1C	ZINC001589329652	986165973	/nfs/dbraw/zinc/16/59/73/986165973.db2.gz	RKFWSJIXJARFIX-GMTAPVOTSA-N	-1	0	317.349	0.523	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001589330986	986181851	/nfs/dbraw/zinc/18/18/51/986181851.db2.gz	XUZWWMMDPRMGAR-ZIQFBCGOSA-N	-1	0	315.395	0.412	20	30		DCEDRM
C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])n1cnc(C#N)n1	ZINC001589386825	986489528	/nfs/dbraw/zinc/48/95/28/986489528.db2.gz	CGTPNMPUQOTABJ-CMPLNLGQSA-N	-1	0	313.317	0.523	20	30		DCEDRM
C[C@@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)n1cnc(C#N)n1	ZINC001589445613	986813568	/nfs/dbraw/zinc/81/35/68/986813568.db2.gz	TWNPLCMGMJYSLK-VIFPVBQESA-N	-1	0	315.289	0.813	20	30		DCEDRM
O=C([O-])C1(NC(=O)c2cccc(C#CCO)c2)CCOCC1	ZINC001594723120	987219222	/nfs/dbraw/zinc/21/92/22/987219222.db2.gz	DMWPHTRXXUPNDU-UHFFFAOYSA-N	-1	0	303.314	0.394	20	30		DCEDRM
CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cnc[nH]c1=O	ZINC001387448153	987837369	/nfs/dbraw/zinc/83/73/69/987837369.db2.gz	SVTBKQFKEBONKK-JTQLQIEISA-N	-1	0	305.338	0.310	20	30		DCEDRM
C[C@H]1CCCC[C@@]1(C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001450897262	1015433701	/nfs/dbraw/zinc/43/37/01/1015433701.db2.gz	FYBZWHDPFMVDOJ-ZUZCIYMTSA-N	-1	0	304.350	0.906	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC001599852119	989029041	/nfs/dbraw/zinc/02/90/41/989029041.db2.gz	HNFWXXZOFVOBNK-PRHODGIISA-N	-1	0	319.292	0.815	20	30		DCEDRM
C[C@H](C#N)C(=O)N[C@@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001389533300	989368510	/nfs/dbraw/zinc/36/85/10/989368510.db2.gz	WLRNBJRKHGMWAA-NXEZZACHSA-N	-1	0	304.354	0.141	20	30		DCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1	ZINC001598287227	991185976	/nfs/dbraw/zinc/18/59/76/991185976.db2.gz	DCPJMAASBPHJCE-KGLIPLIRSA-N	-1	0	317.345	0.674	20	30		DCEDRM
CN(CC(F)(F)F)C(=O)CN1CCC(C#N)(C(=O)[O-])CC1	ZINC001598429915	991789272	/nfs/dbraw/zinc/78/92/72/991789272.db2.gz	RAQOVAHJWQOHJO-UHFFFAOYSA-N	-1	0	307.272	0.697	20	30		DCEDRM
CN(CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1c[nH]c(C#N)c1	ZINC001598486576	992214193	/nfs/dbraw/zinc/21/41/93/992214193.db2.gz	RHEGUZLSKPPQGH-NEPJUHHUSA-N	-1	0	318.333	0.137	20	30		DCEDRM
CN1C(=O)CC[C@@H]1C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001598546611	992951874	/nfs/dbraw/zinc/95/18/74/992951874.db2.gz	BVKMUSUXRXSRNE-GFCCVEGCSA-N	-1	0	302.286	0.920	20	30		DCEDRM
CN1C[C@H](C(=O)[O-])N(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1=O	ZINC001598562413	993101589	/nfs/dbraw/zinc/10/15/89/993101589.db2.gz	AQCAVUSFYQZVIC-GFCCVEGCSA-N	-1	0	318.289	0.194	20	30		DCEDRM
CN1CC[C@H](C(=O)OCc2cccc(C(=O)[O-])c2C#N)C1=O	ZINC001598578112	993306079	/nfs/dbraw/zinc/30/60/79/993306079.db2.gz	MHXHQINEBGBVAI-NSHDSACASA-N	-1	0	302.286	0.778	20	30		DCEDRM
COC(=O)C1(C#N)CCN(C[C@H]2CC(C(=O)[O-])=C(C)O2)CC1	ZINC001598716299	995414169	/nfs/dbraw/zinc/41/41/69/995414169.db2.gz	IBAOMWQJCDZZOK-LLVKDONJSA-N	-1	0	308.334	0.913	20	30		DCEDRM
C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001593498754	995485988	/nfs/dbraw/zinc/48/59/88/995485988.db2.gz	DFVYORIWEAXFKB-KOLCDFICSA-N	-1	0	302.286	0.927	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)COCC(=O)[O-]	ZINC001593533215	995579467	/nfs/dbraw/zinc/57/94/67/995579467.db2.gz	AUHIFVKKUDUJAL-NOZJJQNGSA-N	-1	0	300.311	0.074	20	30		DCEDRM
C[C@@H](OC(=O)c1ccnc(C#N)c1)c1cn(CC(=O)[O-])nn1	ZINC001593591360	995713746	/nfs/dbraw/zinc/71/37/46/995713746.db2.gz	FOQAWDVYGHAOIM-MRVPVSSYSA-N	-1	0	301.262	0.547	20	30		DCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(C#N)ccn1	ZINC001598773108	995902508	/nfs/dbraw/zinc/90/25/08/995902508.db2.gz	YBHFIKDOSBMCQO-ZYHUDNBSSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)cc2F)C[C@H]1C(=O)[O-]	ZINC001598820324	996318826	/nfs/dbraw/zinc/31/88/26/996318826.db2.gz	WJIYRIADMKIXDR-GHMZBOCLSA-N	-1	0	320.276	0.643	20	30		DCEDRM
COC(=O)CC[C@@H](NC(=O)c1cc(C)c(C#N)cn1)C(=O)[O-]	ZINC001598857180	996647748	/nfs/dbraw/zinc/64/77/48/996647748.db2.gz	WGHWUEVWHBNPQF-SNVBAGLBSA-N	-1	0	305.290	0.398	20	30		DCEDRM
COC(=O)N1CCC(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	ZINC001598879637	996794832	/nfs/dbraw/zinc/79/48/32/996794832.db2.gz	KRAQAFHTUZADCJ-UHFFFAOYSA-N	-1	0	323.349	0.682	20	30		DCEDRM
CCOC(=O)[C@@](C)(O)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001466693152	1016102254	/nfs/dbraw/zinc/10/22/54/1016102254.db2.gz	TXHICNYSLMGTFO-AWEZNQCLSA-N	-1	0	307.306	0.011	20	30		DCEDRM
C[C@]1(CCC(=O)[O-])NC(=O)N(Cc2nc(C#N)cs2)C1=O	ZINC001594000661	997363766	/nfs/dbraw/zinc/36/37/66/997363766.db2.gz	GQXZMQGOIBGVDM-GFCCVEGCSA-N	-1	0	308.319	0.690	20	30		DCEDRM
COCC[C@](C)(C#N)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC001599209118	997466993	/nfs/dbraw/zinc/46/69/93/997466993.db2.gz	FTNSIPAOPODIPF-SNVBAGLBSA-N	-1	0	319.364	0.438	20	30		DCEDRM
COCC[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001599212737	997530549	/nfs/dbraw/zinc/53/05/49/997530549.db2.gz	HQKZJYTUKPDRAV-ZIAGYGMSSA-N	-1	0	315.329	0.846	20	30		DCEDRM
CO[C@@H]1CCC[C@@H]([C@H](NS(=O)(=O)CCCC#N)C(=O)[O-])C1	ZINC001599112650	997596802	/nfs/dbraw/zinc/59/68/02/997596802.db2.gz	NGRJSQIBZIRXMN-UTUOFQBUSA-N	-1	0	318.395	0.868	20	30		DCEDRM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001594067123	997891262	/nfs/dbraw/zinc/89/12/62/997891262.db2.gz	ZAPTUAFLQFXDRA-CQSZACIVSA-N	-1	0	324.358	0.792	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC001599233135	997898275	/nfs/dbraw/zinc/89/82/75/997898275.db2.gz	CVWAJEFIAQPXLG-UHFFFAOYSA-N	-1	0	302.308	0.447	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)CNc1ccc(C#N)cn1	ZINC001599146817	998227268	/nfs/dbraw/zinc/22/72/68/998227268.db2.gz	GCZRRADUWKWHAJ-AWEZNQCLSA-N	-1	0	306.322	0.361	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC001594139908	998429063	/nfs/dbraw/zinc/42/90/63/998429063.db2.gz	CWGZGIUUZAYLOE-PSASIEDQSA-N	-1	0	319.292	0.957	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC001594140644	998435393	/nfs/dbraw/zinc/43/53/93/998435393.db2.gz	GCIZIJXIHHVVGZ-KCJUWKMLSA-N	-1	0	319.292	0.957	20	30		DCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC001594140645	998435738	/nfs/dbraw/zinc/43/57/38/998435738.db2.gz	GCIZIJXIHHVVGZ-KWQFWETISA-N	-1	0	319.292	0.957	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)cn1	ZINC001594141324	998443774	/nfs/dbraw/zinc/44/37/74/998443774.db2.gz	JKKILDFFQAMIFD-SCZZXKLOSA-N	-1	0	302.290	0.213	20	30		DCEDRM
COCCc1noc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)n1	ZINC001599264913	998450764	/nfs/dbraw/zinc/45/07/64/998450764.db2.gz	KJZPQTHAYFHEBB-UHFFFAOYSA-N	-1	0	304.262	0.038	20	30		DCEDRM
C[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)CN1C(=O)C#CC1CC1	ZINC001594265440	999027595	/nfs/dbraw/zinc/02/75/95/999027595.db2.gz	GNRWPTWZRUDPTJ-GXFFZTMASA-N	-1	0	314.345	0.990	20	30		DCEDRM
CCc1ccncc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001469816234	1016367502	/nfs/dbraw/zinc/36/75/02/1016367502.db2.gz	YYVUHDRJBQFUDI-UHFFFAOYSA-N	-1	0	313.317	0.807	20	30		DCEDRM
C[C@]1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H]2C[C@H]2C1	ZINC001418839009	1000564118	/nfs/dbraw/zinc/56/41/18/1000564118.db2.gz	XPWBJEUELQMTOH-RTUWITSCSA-N	-1	0	302.334	0.373	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cnc3[nH]ccc3c2)c(=O)[n-]c1=O	ZINC001470360005	1016424615	/nfs/dbraw/zinc/42/46/15/1016424615.db2.gz	AMJSJHXWUZIEMA-UHFFFAOYSA-N	-1	0	324.300	0.078	20	30		DCEDRM
CN(CC(=O)[N-]Oc1cccc(C#N)c1)c1ncnc2nc[nH]c21	ZINC001471085932	1016527023	/nfs/dbraw/zinc/52/70/23/1016527023.db2.gz	OMWJBSDLNVTJFP-UHFFFAOYSA-N	-1	0	323.316	0.771	20	30		DCEDRM
CC[S@](=O)[C@H]1CCC[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001472715175	1016847336	/nfs/dbraw/zinc/84/73/36/1016847336.db2.gz	PJXZDWZHZKIKBZ-BNMUBRSASA-N	-1	0	324.406	0.437	20	30		DCEDRM
Cn1c(=O)[n-]c(NCc2nccc3c2CCCC3)c(C#N)c1=O	ZINC001472875534	1016867254	/nfs/dbraw/zinc/86/72/54/1016867254.db2.gz	YUYQFVQPIAAMLL-UHFFFAOYSA-N	-1	0	311.345	0.831	20	30		DCEDRM
CCOC(=O)CN(CC)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001473123582	1016910800	/nfs/dbraw/zinc/91/08/00/1016910800.db2.gz	FFZVDZUDLLJEOD-UHFFFAOYSA-N	-1	0	303.322	0.692	20	30		DCEDRM
C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001473428842	1016930577	/nfs/dbraw/zinc/93/05/77/1016930577.db2.gz	GNBMRYONOUTUGW-BNJANLQDSA-N	-1	0	319.390	0.648	20	30		DCEDRM
C[C@H](CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001414545534	1005357227	/nfs/dbraw/zinc/35/72/27/1005357227.db2.gz	QUDPYAAJUJBOOE-SECBINFHSA-N	-1	0	305.338	0.166	20	30		DCEDRM
CC[C@H](C)[C@@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001414557415	1005359077	/nfs/dbraw/zinc/35/90/77/1005359077.db2.gz	PXXXYLULYNJYCS-VHSXEESVSA-N	-1	0	307.354	0.554	20	30		DCEDRM
COC(=O)[C@@]1(C)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001417672070	1005865018	/nfs/dbraw/zinc/86/50/18/1005865018.db2.gz	ZBZGWAJQWDULAE-HNNXBMFYSA-N	-1	0	303.318	0.993	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2C[C@@H]2c2ccccc2)c(=O)[n-]c1=O	ZINC001417731950	1005877984	/nfs/dbraw/zinc/87/79/84/1005877984.db2.gz	FFSZUVABEGNYEM-ZIAGYGMSSA-N	-1	0	324.340	0.883	20	30		DCEDRM
C[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001417835029	1005899480	/nfs/dbraw/zinc/89/94/80/1005899480.db2.gz	BMBJYVJGQAAEAS-SNVBAGLBSA-N	-1	0	304.350	0.906	20	30		DCEDRM
C[C@H](CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)C	ZINC001434838388	1006029265	/nfs/dbraw/zinc/02/92/65/1006029265.db2.gz	UIULPAVRARFGMD-SNVBAGLBSA-N	-1	0	321.381	0.802	20	30		DCEDRM
CC(C)c1ccoc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001453841212	1008752098	/nfs/dbraw/zinc/75/20/98/1008752098.db2.gz	IGLLHNIPOOEKIU-UHFFFAOYSA-N	-1	0	316.317	0.967	20	30		DCEDRM
CCc1onc(C)c1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001433813927	1009208854	/nfs/dbraw/zinc/20/88/54/1009208854.db2.gz	HUGAFTNFDLEUNW-UHFFFAOYSA-N	-1	0	317.305	0.708	20	30		DCEDRM
CS(=O)(=O)c1nc(NC(=O)[C@]2(C#N)CC23CCCC3)n[n-]1	ZINC001434428853	1009940342	/nfs/dbraw/zinc/94/03/42/1009940342.db2.gz	YCYIFNHSJPIPOL-GFCCVEGCSA-N	-1	0	309.351	0.621	20	30		DCEDRM
COC(=O)[C@H]1CCCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001434461312	1009978444	/nfs/dbraw/zinc/97/84/44/1009978444.db2.gz	CKGUCZLVTMLSBO-GFCCVEGCSA-N	-1	0	315.333	0.834	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN[C@@H](CCO)C(F)(F)F)cc2=O	ZINC001434488503	1010023989	/nfs/dbraw/zinc/02/39/89/1010023989.db2.gz	KOCXGDXMXVLVLL-VIFPVBQESA-N	-1	0	315.255	0.709	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC1CCN(c2nc(C)cc(=O)[nH]2)CC1	ZINC001520737344	1017307521	/nfs/dbraw/zinc/30/75/21/1017307521.db2.gz	ANZBDDDNVUWBCQ-INIZCTEOSA-N	-1	0	320.393	0.903	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cn(C2CCOCC2)nn1	ZINC001515158135	1017102187	/nfs/dbraw/zinc/10/21/87/1017102187.db2.gz	IGEHAJSEEWRJBP-LBPRGKRZSA-N	-1	0	317.349	0.574	20	30		DCEDRM
Cn1c(=O)[n-]c(NCC2(C3(O)CCC3)CCC2)c(C#N)c1=O	ZINC001458598606	1012227071	/nfs/dbraw/zinc/22/70/71/1012227071.db2.gz	UDZAHHUSMPFKCG-UHFFFAOYSA-N	-1	0	304.350	0.442	20	30		DCEDRM
CN(Cc1cc(C#N)cs1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001458651515	1012264594	/nfs/dbraw/zinc/26/45/94/1012264594.db2.gz	BTVMIEPRCQZHHY-UHFFFAOYSA-N	-1	0	301.331	0.515	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1	ZINC001557921283	1012306349	/nfs/dbraw/zinc/30/63/49/1012306349.db2.gz	TWMHFKNSADSFHL-UHFFFAOYSA-N	-1	0	314.257	0.738	20	30		DCEDRM
COC(=O)CCN(CC#N)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001557988556	1012312781	/nfs/dbraw/zinc/31/27/81/1012312781.db2.gz	QUVZXPBZTDLDIA-UHFFFAOYSA-N	-1	0	302.290	0.496	20	30		DCEDRM
C[C@@H](C[C@H]1CCOC1)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001445987254	1012489138	/nfs/dbraw/zinc/48/91/38/1012489138.db2.gz	DCHWTMAECJCRLY-WDEREUQCSA-N	-1	0	320.349	0.142	20	30		DCEDRM
Cc1[nH]nc(C(F)F)c1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001446212077	1012678745	/nfs/dbraw/zinc/67/87/45/1012678745.db2.gz	YBOJSMRYDXRFPT-UHFFFAOYSA-N	-1	0	324.247	0.428	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)Nc2nnnn2C2CC2)cc1C#N	ZINC001460297088	1012889160	/nfs/dbraw/zinc/88/91/60/1012889160.db2.gz	OLMOEQYLPCNUIZ-UHFFFAOYSA-N	-1	0	317.334	0.954	20	30		DCEDRM
C[C@@](CNCC#N)(NC(=O)c1c[n-]n2c1nccc2=O)C1CC1	ZINC001495283124	1018443642	/nfs/dbraw/zinc/44/36/42/1018443642.db2.gz	WDSXXHSMJLIPAX-HNNXBMFYSA-N	-1	0	314.349	0.034	20	30		DCEDRM
C=C[C@H](CC)CC(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001500713801	1018603124	/nfs/dbraw/zinc/60/31/24/1018603124.db2.gz	BMTMHRROYCJQMT-ABAIWWIYSA-N	-1	0	323.397	0.166	20	30		DCEDRM
C=C(C)[C@H](CC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)OCC	ZINC001498985540	1019617094	/nfs/dbraw/zinc/61/70/94/1019617094.db2.gz	JBUXXDQGNIADKR-RYUDHWBXSA-N	-1	0	323.397	0.572	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CSCC#N)C2)c1[O-]	ZINC001493819062	1019737086	/nfs/dbraw/zinc/73/70/86/1019737086.db2.gz	YRDWEBHHGRNQQZ-VIFPVBQESA-N	-1	0	323.378	0.011	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1	ZINC000088376920	185247720	/nfs/dbraw/zinc/24/77/20/185247720.db2.gz	FXMDDIXIQOWPKA-GFCCVEGCSA-N	-1	0	310.331	0.173	20	30		DCEDRM
C=CCOCCCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000272677842	210082913	/nfs/dbraw/zinc/08/29/13/210082913.db2.gz	YCFODHMBBNGYQC-NSHDSACASA-N	-1	0	300.355	0.407	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000420532895	240042554	/nfs/dbraw/zinc/04/25/54/240042554.db2.gz	BFBQIUDXMVHSRY-NXEZZACHSA-N	-1	0	300.380	0.201	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000422694165	240180189	/nfs/dbraw/zinc/18/01/89/240180189.db2.gz	WWWXIGREQMJDSY-SNVBAGLBSA-N	-1	0	303.318	0.984	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N[C@H](Cc2ccco2)C(=O)[O-])c1	ZINC000567553452	291360631	/nfs/dbraw/zinc/36/06/31/291360631.db2.gz	UVBQFIKANDIZHB-GFCCVEGCSA-N	-1	0	321.314	0.520	20	30		DCEDRM
N#Cc1cccc(/C=C\C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1	ZINC000491828146	241137746	/nfs/dbraw/zinc/13/77/46/241137746.db2.gz	NFUQAYZXJYVCNH-DSYXLKISSA-N	-1	0	306.343	0.806	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCN(C)C(=O)OC(C)(C)C	ZINC000496581257	241250844	/nfs/dbraw/zinc/25/08/44/241250844.db2.gz	GUCXAHXCSNLGAC-UHFFFAOYSA-N	-1	0	318.395	0.713	20	30		DCEDRM
CN(CC1CCCCC1)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000568882745	291451182	/nfs/dbraw/zinc/45/11/82/291451182.db2.gz	BJEJCYHYDGEWLX-UHFFFAOYSA-N	-1	0	304.350	0.447	20	30		DCEDRM
C=CC[C@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-]	ZINC000274914631	212030029	/nfs/dbraw/zinc/03/00/29/212030029.db2.gz	LIXCXMVTSWBCSK-KOLCDFICSA-N	-1	0	315.351	0.152	20	30		DCEDRM
N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H](CCO)C(=O)[O-]	ZINC000274905482	212023043	/nfs/dbraw/zinc/02/30/43/212023043.db2.gz	JGNMRXCBUKJUGN-SECBINFHSA-N	-1	0	318.738	0.326	20	30		DCEDRM
C#CCN(C1CCCC1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000491659642	533117436	/nfs/dbraw/zinc/11/74/36/533117436.db2.gz	NFECDEBIHXFYMC-GFCCVEGCSA-N	-1	0	300.380	0.658	20	30		DCEDRM
COC[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(=O)OC	ZINC000350617234	254318906	/nfs/dbraw/zinc/31/89/06/254318906.db2.gz	BJSNOPMQHSWXSK-GFCCVEGCSA-N	-1	0	312.347	0.166	20	30		DCEDRM
N#Cc1nc(NC(=O)CCNC(=O)c2ccsc2)[n-]c1C#N	ZINC000026271641	395694291	/nfs/dbraw/zinc/69/42/91/395694291.db2.gz	SGWVNGGGMXWSQF-UHFFFAOYSA-N	-1	0	314.330	0.973	20	30		DCEDRM
C#CCN(CC)C(=O)[C@H](C)NS(=O)(=O)c1cccs1	ZINC000142571475	395959740	/nfs/dbraw/zinc/95/97/40/395959740.db2.gz	MNERAUULGMVYSA-JTQLQIEISA-N	-1	0	300.405	0.897	20	30		DCEDRM
CCN(CC)C(=O)CCCNS(=O)(=O)c1cccnc1C#N	ZINC000276992990	396042457	/nfs/dbraw/zinc/04/24/57/396042457.db2.gz	IRIPNOPXYWSSEP-UHFFFAOYSA-N	-1	0	324.406	0.880	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000263196323	396206156	/nfs/dbraw/zinc/20/61/56/396206156.db2.gz	LWLNDUHXPOQOGF-VHSXEESVSA-N	-1	0	309.347	0.685	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000263364131	396215128	/nfs/dbraw/zinc/21/51/28/396215128.db2.gz	ZHKJICVBAQHBAB-PHIMTYICSA-N	-1	0	304.302	0.925	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1C(N)=O	ZINC000185612975	396331083	/nfs/dbraw/zinc/33/10/83/396331083.db2.gz	BCGDTMKBCNDQGC-UHFFFAOYSA-N	-1	0	319.346	0.798	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1	ZINC000290490759	396466723	/nfs/dbraw/zinc/46/67/23/396466723.db2.gz	GXCYKDNVUYQYMP-JTQLQIEISA-N	-1	0	309.347	0.829	20	30		DCEDRM
COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000290726227	396470927	/nfs/dbraw/zinc/47/09/27/396470927.db2.gz	VOJDUCNMRCWEMR-SECBINFHSA-N	-1	0	313.335	0.063	20	30		DCEDRM
C[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000594529137	396484348	/nfs/dbraw/zinc/48/43/48/396484348.db2.gz	GQZIXOKQTYMGSC-QMMMGPOBSA-N	-1	0	307.281	0.150	20	30		DCEDRM
N#Cc1ccc2c(c1)CN(C(=O)C(=O)NCCCC(=O)[O-])C2	ZINC000594529439	396484689	/nfs/dbraw/zinc/48/46/89/396484689.db2.gz	ISZVXYWHZLHSKF-UHFFFAOYSA-N	-1	0	301.302	0.381	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1ccc(C#N)cc1)[C@H](C)C(=O)[O-]	ZINC000581429530	396553920	/nfs/dbraw/zinc/55/39/20/396553920.db2.gz	PIVNACDMDKHGQS-SNVBAGLBSA-N	-1	0	303.318	0.610	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cnc(CC)s1)C(=O)[O-]	ZINC000541002602	396610267	/nfs/dbraw/zinc/61/02/67/396610267.db2.gz	OMVPFICVZUPUKW-MRVPVSSYSA-N	-1	0	302.377	0.850	20	30		DCEDRM
N#Cc1cc2c(nc1N[C@@H]1C[C@H](C(=O)[O-])C[C@@H]1O)CCOC2	ZINC000595977266	396701991	/nfs/dbraw/zinc/70/19/91/396701991.db2.gz	FRWRKILJVVGTQB-CKLFPEKLSA-N	-1	0	303.318	0.662	20	30		DCEDRM
C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1	ZINC000595992346	396704785	/nfs/dbraw/zinc/70/47/85/396704785.db2.gz	SEXAZFGHCUSIRC-BLLLJJGKSA-N	-1	0	321.377	0.852	20	30		DCEDRM
COC(=O)C[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-]	ZINC000590898854	396853661	/nfs/dbraw/zinc/85/36/61/396853661.db2.gz	OIVULPVHXPAHJB-SECBINFHSA-N	-1	0	318.351	0.006	20	30		DCEDRM
Cc1cc(S(=O)(=O)N(CCO)CCC(=O)[O-])ccc1C#N	ZINC000618072096	396897683	/nfs/dbraw/zinc/89/76/83/396897683.db2.gz	HQXQQOCUMKSNFB-UHFFFAOYSA-N	-1	0	312.347	0.324	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000591353169	396905619	/nfs/dbraw/zinc/90/56/19/396905619.db2.gz	UKIUOBZPAJIBLL-GFCCVEGCSA-N	-1	0	305.290	0.884	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CCOCC(F)(F)C(F)(F)F)c1=O	ZINC000564965729	396912964	/nfs/dbraw/zinc/91/29/64/396912964.db2.gz	KIWZEBRNSDAFRR-UHFFFAOYSA-N	-1	0	313.182	0.622	20	30		DCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1	ZINC000591458003	396923442	/nfs/dbraw/zinc/92/34/42/396923442.db2.gz	SKYFPLBMPDSMKO-HNNXBMFYSA-N	-1	0	309.366	0.900	20	30		DCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1	ZINC000591563629	396928599	/nfs/dbraw/zinc/92/85/99/396928599.db2.gz	ZRJRKQXSSGXVCV-HNNXBMFYSA-N	-1	0	319.292	0.716	20	30		DCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000591564184	396928757	/nfs/dbraw/zinc/92/87/57/396928757.db2.gz	HZJGGHHJRUQYLO-GFCCVEGCSA-N	-1	0	317.301	0.117	20	30		DCEDRM
C[C@H]1CN(C(=O)C(=O)N2CCC(C)(C#N)CC2)CC[C@H]1C(=O)[O-]	ZINC000600800991	396945237	/nfs/dbraw/zinc/94/52/37/396945237.db2.gz	PFUWXWIXJDNRFD-NWDGAFQWSA-N	-1	0	321.377	0.708	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)NCCOCC(=O)[O-]	ZINC000600872749	396959152	/nfs/dbraw/zinc/95/91/52/396959152.db2.gz	AWBXZQUBTOADRI-UHFFFAOYSA-N	-1	0	308.290	0.163	20	30		DCEDRM
C=C(C)C[C@H](NC(=O)CNC(=O)COc1ccccc1)C(=O)[O-]	ZINC000630320333	396985022	/nfs/dbraw/zinc/98/50/22/396985022.db2.gz	TXJYXYFUNPPYFZ-ZDUSSCGKSA-N	-1	0	320.345	0.717	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000626361230	397145541	/nfs/dbraw/zinc/14/55/41/397145541.db2.gz	AZLPUODVDYHAFP-JTQLQIEISA-N	-1	0	313.379	0.368	20	30		DCEDRM
CC1(C)CN(S(=O)(=O)c2ccccc2C#N)[C@@H](C(=O)[O-])CO1	ZINC000577264540	397316270	/nfs/dbraw/zinc/31/62/70/397316270.db2.gz	GGBVHSCBHQVVOE-LLVKDONJSA-N	-1	0	324.358	0.811	20	30		DCEDRM
CC(C)N(CC(F)F)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602118932	397308125	/nfs/dbraw/zinc/30/81/25/397308125.db2.gz	COCHCEDWTWPEDN-UHFFFAOYSA-N	-1	0	314.292	0.713	20	30		DCEDRM
C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1(C)C	ZINC000602135926	397314935	/nfs/dbraw/zinc/31/49/35/397314935.db2.gz	MWFYJYHMHIGIAT-SNVBAGLBSA-N	-1	0	304.350	0.715	20	30		DCEDRM
CCCSC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000593254625	397341288	/nfs/dbraw/zinc/34/12/88/397341288.db2.gz	PQETUJZUEQFCJL-UWVGGRQHSA-N	-1	0	323.440	0.509	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000593270251	397346555	/nfs/dbraw/zinc/34/65/55/397346555.db2.gz	AKSLSLCPCTZKOQ-NOOOWODRSA-N	-1	0	315.395	0.508	20	30		DCEDRM
CCN(CC#N)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000593308931	397350887	/nfs/dbraw/zinc/35/08/87/397350887.db2.gz	KYNBKRRNRDCCEM-UHFFFAOYSA-N	-1	0	313.291	0.827	20	30		DCEDRM
N#Cc1cncc(N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)n1	ZINC000593328117	397352233	/nfs/dbraw/zinc/35/22/33/397352233.db2.gz	QMMPWJTXKIOASE-SNVBAGLBSA-N	-1	0	315.333	0.250	20	30		DCEDRM
CC(C)[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C(C)C	ZINC000602158050	397327135	/nfs/dbraw/zinc/32/71/35/397327135.db2.gz	ANHAIDOMYCGEPL-JSGCOSHPSA-N	-1	0	318.377	0.960	20	30		DCEDRM
N#Cc1cccc2c1CN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)C2	ZINC000593769698	397440161	/nfs/dbraw/zinc/44/01/61/397440161.db2.gz	MEJOPRHEEUPFNX-GFCCVEGCSA-N	-1	0	313.313	0.334	20	30		DCEDRM
C[C@H](NS(=O)(=O)N(C)CCC#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000593945362	397485477	/nfs/dbraw/zinc/48/54/77/397485477.db2.gz	RUZHXMLTCHWJDD-GARJFASQSA-N	-1	0	317.411	0.802	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC[C@@H]1C(=O)[O-]	ZINC000599946714	397549874	/nfs/dbraw/zinc/54/98/74/397549874.db2.gz	CAMHLNPUDVAILE-KXNHARMFSA-N	-1	0	307.350	0.364	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000496074074	397572892	/nfs/dbraw/zinc/57/28/92/397572892.db2.gz	XWPJHGBGLFWPPL-SECBINFHSA-N	-1	0	304.368	0.369	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCn3cccc3[C@@H]2C(=O)[O-])CC1	ZINC000579959418	397600787	/nfs/dbraw/zinc/60/07/87/397600787.db2.gz	QYHFJUNOBAQLDA-GFCCVEGCSA-N	-1	0	323.374	0.953	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)ccc1F	ZINC000085856013	158090632	/nfs/dbraw/zinc/09/06/32/158090632.db2.gz	XJJNDIFXBXVHIM-LBPRGKRZSA-N	-1	0	314.294	0.219	20	30		DCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c1C#N	ZINC000368300898	159385584	/nfs/dbraw/zinc/38/55/84/159385584.db2.gz	LMMMVXGOTZRBGX-UHFFFAOYSA-N	-1	0	306.351	0.923	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCC1=O	ZINC000408488807	160118857	/nfs/dbraw/zinc/11/88/57/160118857.db2.gz	OKERXDSNYSGLJV-KOLCDFICSA-N	-1	0	321.358	0.763	20	30		DCEDRM
C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)n1cnc(C#N)n1	ZINC000342384204	415157741	/nfs/dbraw/zinc/15/77/41/415157741.db2.gz	IXHWLRAIKDTKDX-QMMMGPOBSA-N	-1	0	309.293	0.530	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2c(C#N)cnn2C)c(C)o1	ZINC000275859300	415381317	/nfs/dbraw/zinc/38/13/17/415381317.db2.gz	XKMUKMNFPKQDIF-UHFFFAOYSA-N	-1	0	324.318	0.781	20	30		DCEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1	ZINC000088475139	415517551	/nfs/dbraw/zinc/51/75/51/415517551.db2.gz	FGIMUECFGUWPDH-VIFPVBQESA-N	-1	0	303.365	0.378	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000092463876	415539091	/nfs/dbraw/zinc/53/90/91/415539091.db2.gz	DGHMQDJDILWVEO-UHFFFAOYSA-N	-1	0	300.292	0.856	20	30		DCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(C)n(CCC#N)n1	ZINC000285017295	415608082	/nfs/dbraw/zinc/60/80/82/415608082.db2.gz	GSBYTLFKYDURTE-UHFFFAOYSA-N	-1	0	308.367	0.948	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000295277229	415888862	/nfs/dbraw/zinc/88/88/62/415888862.db2.gz	IGKWJNPNQUOERM-NEPJUHHUSA-N	-1	0	321.381	0.550	20	30		DCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2cccc3c2OCO3)n1	ZINC000337742487	416004248	/nfs/dbraw/zinc/00/42/48/416004248.db2.gz	DOTRRZIDNACJIV-UHFFFAOYSA-N	-1	0	306.303	0.821	20	30		DCEDRM
CC(C)n1cc(C#N)c([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)n1	ZINC000331171231	416277939	/nfs/dbraw/zinc/27/79/39/416277939.db2.gz	JMSUCVFXNOSMSH-VIFPVBQESA-N	-1	0	313.383	0.554	20	30		DCEDRM
CNC(=O)C(C)(C)C/N=C(/[O-])c1cnc2n(c1=O)CCS2	ZINC000331309177	416306620	/nfs/dbraw/zinc/30/66/20/416306620.db2.gz	GAXGWDSJWUZRLN-UHFFFAOYSA-N	-1	0	310.379	0.426	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000342185676	416291848	/nfs/dbraw/zinc/29/18/48/416291848.db2.gz	SWBJNVIFYCMGCP-QMMMGPOBSA-N	-1	0	304.306	0.350	20	30		DCEDRM
C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000422629955	416443323	/nfs/dbraw/zinc/44/33/23/416443323.db2.gz	YEMMHANBPKYMNC-VIFPVBQESA-N	-1	0	324.308	0.763	20	30		DCEDRM
C#CCNC(=O)C1CCN([C@@H](C)C(=O)Nc2cc(C)no2)CC1	ZINC000491105119	416584894	/nfs/dbraw/zinc/58/48/94/416584894.db2.gz	VBKHDHNSVXKGAU-LBPRGKRZSA-N	-1	0	318.377	0.771	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000491736987	416619657	/nfs/dbraw/zinc/61/96/57/416619657.db2.gz	QJOGOCANUYGEHV-JTQLQIEISA-N	-1	0	320.276	0.323	20	30		DCEDRM
CC(C)(CCNC(=O)C(=O)NCc1cccc(C#N)c1)C(=O)[O-]	ZINC000424515483	416660525	/nfs/dbraw/zinc/66/05/25/416660525.db2.gz	IFOBAIYSUUOEFD-UHFFFAOYSA-N	-1	0	317.345	0.792	20	30		DCEDRM
CC(C)(CCNC(=O)C(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000424528003	416662304	/nfs/dbraw/zinc/66/23/04/416662304.db2.gz	YFAOYQSJUSYPRI-UHFFFAOYSA-N	-1	0	317.345	0.792	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCCC[C@H](C)C(=O)[O-]	ZINC000516870841	416750499	/nfs/dbraw/zinc/75/04/99/416750499.db2.gz	PRXMIKIMHDSSMB-MNOVXSKESA-N	-1	0	305.400	0.803	20	30		DCEDRM
N#C[C@]1(F)CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000615826012	416915492	/nfs/dbraw/zinc/91/54/92/416915492.db2.gz	QHQOLOUUWKUWHY-CYBMUJFWSA-N	-1	0	303.253	0.514	20	30		DCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000570345976	417343251	/nfs/dbraw/zinc/34/32/51/417343251.db2.gz	DXGNIKNMJLZYDL-LLVKDONJSA-N	-1	0	316.310	0.417	20	30		DCEDRM
CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](C)C#N	ZINC000571493657	417446996	/nfs/dbraw/zinc/44/69/96/417446996.db2.gz	HAFBQIFBAIVZKZ-SFYZADRCSA-N	-1	0	316.301	0.950	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000635520277	417688247	/nfs/dbraw/zinc/68/82/47/417688247.db2.gz	YUEJKHAXGJMLIZ-HUBLWGQQSA-N	-1	0	312.366	0.710	20	30		DCEDRM
C=CCN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@H](C)COC	ZINC000636161561	417888792	/nfs/dbraw/zinc/88/87/92/417888792.db2.gz	WYNFUURGCHKYMW-LLVKDONJSA-N	-1	0	316.365	0.738	20	30		DCEDRM
C=CCN(C(=O)C(=O)N1CCC(C(=O)[O-])CC1)[C@H](C)COC	ZINC000662913584	417949527	/nfs/dbraw/zinc/94/95/27/417949527.db2.gz	QYGKBAVQTDTXJD-LLVKDONJSA-N	-1	0	312.366	0.359	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000659054700	418050266	/nfs/dbraw/zinc/05/02/66/418050266.db2.gz	AZJCZZFCWKGURX-UHFFFAOYSA-N	-1	0	307.306	0.427	20	30		DCEDRM
C=CCOCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000659068736	418053555	/nfs/dbraw/zinc/05/35/55/418053555.db2.gz	ONEAXUUFVANLJF-UHFFFAOYSA-N	-1	0	306.318	0.571	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000659664700	418140522	/nfs/dbraw/zinc/14/05/22/418140522.db2.gz	OBYLRTVEOXGFAR-RYUDHWBXSA-N	-1	0	312.366	0.265	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)c1C#N	ZINC000548529812	288150863	/nfs/dbraw/zinc/15/08/63/288150863.db2.gz	NLQWRQFPBYXLOR-GWCFXTLKSA-N	-1	0	324.358	0.635	20	30		DCEDRM
N#Cc1c(Cl)cccc1S(=O)(=O)NCCOCC(=O)[O-]	ZINC000548589212	288157876	/nfs/dbraw/zinc/15/78/76/288157876.db2.gz	HCOHDVABDBNMCC-UHFFFAOYSA-N	-1	0	318.738	0.591	20	30		DCEDRM
C=C[C@@H](CO)NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O	ZINC000426848872	332158571	/nfs/dbraw/zinc/15/85/71/332158571.db2.gz	AVMUVDWHBHBLLN-VIFPVBQESA-N	-1	0	318.782	0.988	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000566311463	332334262	/nfs/dbraw/zinc/33/42/62/332334262.db2.gz	DEDUSYJEMFMHPO-MXWKQRLJSA-N	-1	0	305.400	0.658	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C	ZINC000568001073	333515413	/nfs/dbraw/zinc/51/54/13/333515413.db2.gz	LDXXTQAOAFOJCW-VWYCJHECSA-N	-1	0	303.384	0.650	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1[C@@H](C(=O)[O-])CCC1(C)C	ZINC000568001303	333516072	/nfs/dbraw/zinc/51/60/72/333516072.db2.gz	VLPJIVUFKWSLFN-VHSXEESVSA-N	-1	0	303.384	0.650	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)[N-]CC(F)(F)F	ZINC000443226207	338448188	/nfs/dbraw/zinc/44/81/88/338448188.db2.gz	QCJLWQUVPUTUCX-BDAKNGLRSA-N	-1	0	302.318	0.954	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)[N-]CC(F)(F)F	ZINC000443226209	338448069	/nfs/dbraw/zinc/44/80/69/338448069.db2.gz	QCJLWQUVPUTUCX-IUCAKERBSA-N	-1	0	302.318	0.954	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)N(CC)CC1CC1)C(=O)[O-]	ZINC000583497911	335621219	/nfs/dbraw/zinc/62/12/19/335621219.db2.gz	OEWRLKBLGGZMOO-NSHDSACASA-N	-1	0	306.384	0.209	20	30		DCEDRM
CSc1nc(=NC(=O)N[C@H]2CCCS(=O)(=O)C2)s[n-]1	ZINC000330021007	336106561	/nfs/dbraw/zinc/10/65/61/336106561.db2.gz	XCNOSBMSICPVMI-LURJTMIESA-N	-1	0	322.437	0.585	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000582363758	336942322	/nfs/dbraw/zinc/94/23/22/336942322.db2.gz	IDAPCNGCUKZRPL-OUAUKWLOSA-N	-1	0	303.384	0.365	20	30		DCEDRM
O=C([O-])CCCCCNC(=O)C(=O)NCC#Cc1ccccc1	ZINC000420528714	337507627	/nfs/dbraw/zinc/50/76/27/337507627.db2.gz	LBZPYJBOIDHGKM-UHFFFAOYSA-N	-1	0	316.357	0.916	20	30		DCEDRM
C#C[C@@H](CC)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000491705523	339875106	/nfs/dbraw/zinc/87/51/06/339875106.db2.gz	KOVFXFWCJUIQOJ-VIFPVBQESA-N	-1	0	316.329	0.771	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)OC)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000496335453	340003335	/nfs/dbraw/zinc/00/33/35/340003335.db2.gz	AIAKHJPFQYGKBY-UWVGGRQHSA-N	-1	0	319.383	0.507	20	30		DCEDRM
COC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000496424284	340005217	/nfs/dbraw/zinc/00/52/17/340005217.db2.gz	KGPJATHVJBWFFK-VIFPVBQESA-N	-1	0	305.356	0.117	20	30		DCEDRM
N#CC1(CS(=O)(=O)NCC[C@H](O)C(=O)[O-])CCCCC1	ZINC000548198987	341252626	/nfs/dbraw/zinc/25/26/26/341252626.db2.gz	IGIMUKXUKNYFSH-JTQLQIEISA-N	-1	0	304.368	0.215	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N(CC(=O)[O-])Cc1ccccn1	ZINC000548232015	341252845	/nfs/dbraw/zinc/25/28/45/341252845.db2.gz	GLYOLCOJEQSYBN-UHFFFAOYSA-N	-1	0	312.351	0.058	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)C1CC1	ZINC000565837024	341539795	/nfs/dbraw/zinc/53/97/95/341539795.db2.gz	JTKJTDAGSBRFCS-FOGDFJRCSA-N	-1	0	317.411	0.802	20	30		DCEDRM
CC(=O)NCCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124174742	519659851	/nfs/dbraw/zinc/65/98/51/519659851.db2.gz	TWSXBAZTDNSWSY-UHFFFAOYSA-N	-1	0	317.317	0.641	20	30		DCEDRM
COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124809000	523512553	/nfs/dbraw/zinc/51/25/53/523512553.db2.gz	WAEFKNZAPJEIKH-ZETCQYMHSA-N	-1	0	318.301	0.924	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000356620808	526375040	/nfs/dbraw/zinc/37/50/40/526375040.db2.gz	OCVROKDPLZIAHG-ZDUSSCGKSA-N	-1	0	309.326	0.388	20	30		DCEDRM
CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000275349591	526376754	/nfs/dbraw/zinc/37/67/54/526376754.db2.gz	WBSLKEOSRQMCLR-VIFPVBQESA-N	-1	0	320.367	0.395	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)[O-]	ZINC000262932579	526808618	/nfs/dbraw/zinc/80/86/18/526808618.db2.gz	HDAFCJCIMHCHEF-ZDUSSCGKSA-N	-1	0	318.329	0.957	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(=O)[O-]	ZINC000263068789	526808779	/nfs/dbraw/zinc/80/87/79/526808779.db2.gz	REWAHQXZVUDFLG-JTQLQIEISA-N	-1	0	324.289	0.989	20	30		DCEDRM
C=CCOc1cccnc1C(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC000262814418	526955057	/nfs/dbraw/zinc/95/50/57/526955057.db2.gz	UTTABQOTVDWLJR-UHFFFAOYSA-N	-1	0	306.318	0.698	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000159578328	527175685	/nfs/dbraw/zinc/17/56/85/527175685.db2.gz	VLLJWNPACGNSDX-JTQLQIEISA-N	-1	0	311.315	0.213	20	30		DCEDRM
C=CCn1c(=O)c2ccc(C(=O)N3CC(O)C3)cc2[n-]c1=S	ZINC000156534763	527334405	/nfs/dbraw/zinc/33/44/05/527334405.db2.gz	DROJLESRHUTTEA-UHFFFAOYSA-N	-1	0	317.370	0.688	20	30		DCEDRM
C=CCC[C@@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-]	ZINC000262931633	527437410	/nfs/dbraw/zinc/43/74/10/527437410.db2.gz	OZPFNBSXKCIUMA-CYBMUJFWSA-N	-1	0	304.346	0.881	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000092463969	527584374	/nfs/dbraw/zinc/58/43/74/527584374.db2.gz	UGRIQVWPMPCBTB-UHFFFAOYSA-N	-1	0	314.319	0.997	20	30		DCEDRM
CCN(CC#N)S(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1	ZINC000273776592	527890815	/nfs/dbraw/zinc/89/08/15/527890815.db2.gz	YKCCCPPZXICJEQ-UHFFFAOYSA-N	-1	0	312.347	0.856	20	30		DCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)[O-]	ZINC000263550138	529258371	/nfs/dbraw/zinc/25/83/71/529258371.db2.gz	KDYZNCAZHOOSAX-VWYCJHECSA-N	-1	0	305.400	0.802	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000422665292	536647583	/nfs/dbraw/zinc/64/75/83/536647583.db2.gz	WGIPNXUEBRAUNV-LLVKDONJSA-N	-1	0	317.301	0.581	20	30		DCEDRM
N#Cc1ccc(CS(=O)(=O)CC(=O)NCCC(=O)[O-])cc1	ZINC000740315729	597117320	/nfs/dbraw/zinc/11/73/20/597117320.db2.gz	OSDUZRXHISYGTM-UHFFFAOYSA-N	-1	0	310.331	0.064	20	30		DCEDRM
N#Cc1ccc(N2CCC(NC(=O)NCCC(=O)[O-])CC2)nc1	ZINC000819100466	597219150	/nfs/dbraw/zinc/21/91/50/597219150.db2.gz	IPLSQZIFILJOEF-UHFFFAOYSA-N	-1	0	317.349	0.696	20	30		DCEDRM
CC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C(=O)[O-]	ZINC000818266690	597220602	/nfs/dbraw/zinc/22/06/02/597220602.db2.gz	SDJWIBMOONVFMP-SECBINFHSA-N	-1	0	323.280	0.646	20	30		DCEDRM
N#CCOc1ccccc1C(=O)OCc1cn(CC(=O)[O-])nn1	ZINC000821324807	597361797	/nfs/dbraw/zinc/36/17/97/597361797.db2.gz	PCTLEULNMNSISB-UHFFFAOYSA-N	-1	0	316.273	0.622	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000820437641	597411153	/nfs/dbraw/zinc/41/11/53/597411153.db2.gz	CZMULDXDHCCCKW-HZMBPMFUSA-N	-1	0	317.345	0.904	20	30		DCEDRM
Cn1cnnc1-c1cncc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000821310809	597603921	/nfs/dbraw/zinc/60/39/21/597603921.db2.gz	RCYWSOKBOGPQGI-AWEZNQCLSA-N	-1	0	314.305	0.820	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](C(N)=O)c2ccccc21	ZINC000819811911	597604010	/nfs/dbraw/zinc/60/40/10/597604010.db2.gz	WYGXYJBDPIVRIO-MEDUHNTESA-N	-1	0	315.329	0.997	20	30		DCEDRM
Cc1cc(CN2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)no1	ZINC000820976562	597629370	/nfs/dbraw/zinc/62/93/70/597629370.db2.gz	JMLYFQAYSXPNIW-HNNXBMFYSA-N	-1	0	320.349	0.632	20	30		DCEDRM
Cc1cc(CN2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)on1	ZINC000820976650	597630532	/nfs/dbraw/zinc/63/05/32/597630532.db2.gz	OSMULOGTQAEMQM-OAHLLOKOSA-N	-1	0	320.349	0.632	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cccnc1-n1cccn1	ZINC000819842712	597633760	/nfs/dbraw/zinc/63/37/60/597633760.db2.gz	RZERJPNMQLKVOU-HNNXBMFYSA-N	-1	0	313.317	0.888	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(CC(F)(F)F)C1	ZINC000819821797	597638920	/nfs/dbraw/zinc/63/89/20/597638920.db2.gz	JULQGSBSHDOFKA-LDYMZIIASA-N	-1	0	307.272	0.744	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](N2CCCCC2=O)C1	ZINC000819811757	597646454	/nfs/dbraw/zinc/64/64/54/597646454.db2.gz	VRYBCRKDXFKWNV-BLLLJJGKSA-N	-1	0	321.377	0.994	20	30		DCEDRM
Cn1ccnc1CN1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000821305334	597646466	/nfs/dbraw/zinc/64/64/66/597646466.db2.gz	YFGFFPAIZGHIAH-OAHLLOKOSA-N	-1	0	319.365	0.069	20	30		DCEDRM
CN(CCCN1CC[NH+](C)CC1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820626572	597650370	/nfs/dbraw/zinc/65/03/70/597650370.db2.gz	RCDFJMGTWKVKCO-HNNXBMFYSA-N	-1	0	310.398	0.087	20	30		DCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H]1N1CCOCC1	ZINC000820246391	597651527	/nfs/dbraw/zinc/65/15/27/597651527.db2.gz	WPZJAVZIDKUFAL-TYNCELHUSA-N	-1	0	309.366	0.170	20	30		DCEDRM
Cn1cc([C@]2(C)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO2)cn1	ZINC000821287118	597658132	/nfs/dbraw/zinc/65/81/32/597658132.db2.gz	FCRZEVQRPGMFDK-GJZGRUSLSA-N	-1	0	320.349	0.499	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1COc2ccccc2O1	ZINC000819833736	598222063	/nfs/dbraw/zinc/22/20/63/598222063.db2.gz	IXOAONJQRJSCET-BMIGLBTASA-N	-1	0	304.302	0.947	20	30		DCEDRM
Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1-n1cnnn1	ZINC000821088012	598223998	/nfs/dbraw/zinc/22/39/98/598223998.db2.gz	MOFYGHKTISMTNL-CQSZACIVSA-N	-1	0	314.305	0.914	20	30		DCEDRM
CC(C)c1nnc2n1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000820061534	598226129	/nfs/dbraw/zinc/22/61/29/598226129.db2.gz	IUVCVGRQKDJEKD-BMIGLBTASA-N	-1	0	319.365	0.837	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2COc3ccccc32)[n-]c1-c1nn[nH]n1	ZINC000822815476	599314178	/nfs/dbraw/zinc/31/41/78/599314178.db2.gz	REVDLZBFTYVJIK-QMMMGPOBSA-N	-1	0	322.288	0.576	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)cc1C	ZINC000823919437	607398673	/nfs/dbraw/zinc/39/86/73/607398673.db2.gz	FQSMOLAXLXXLFM-GFCCVEGCSA-N	-1	0	310.317	0.800	20	30		DCEDRM
C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)[O-]	ZINC000736600623	600049655	/nfs/dbraw/zinc/04/96/55/600049655.db2.gz	VYTQRWUUZMVHRD-VIFPVBQESA-N	-1	0	313.317	0.777	20	30		DCEDRM
COCCNC(=O)[C@H](C#N)C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000737814439	600099027	/nfs/dbraw/zinc/09/90/27/600099027.db2.gz	JBYKTWZARDKLND-CYBMUJFWSA-N	-1	0	318.329	0.789	20	30		DCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000737078450	600208139	/nfs/dbraw/zinc/20/81/39/600208139.db2.gz	MEDJTTMVCSZRAH-ZYHUDNBSSA-N	-1	0	313.354	0.830	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN(C)[C@H](C(=O)[O-])c1ccccc1	ZINC000736105733	600215577	/nfs/dbraw/zinc/21/55/77/600215577.db2.gz	GXRPRRWUGSQDNV-ZDUSSCGKSA-N	-1	0	305.334	0.756	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC000736077494	600240512	/nfs/dbraw/zinc/24/05/12/600240512.db2.gz	VQPLDTZZIQNELY-UHFFFAOYSA-N	-1	0	304.302	0.536	20	30		DCEDRM
COC(=O)C[C@H](NC(=O)CSc1ccc(C#N)cc1)C(=O)[O-]	ZINC000737599592	600242463	/nfs/dbraw/zinc/24/24/63/600242463.db2.gz	VYQGNXVCJKFHDX-NSHDSACASA-N	-1	0	322.342	0.783	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCNC(=O)OCC(F)(F)F	ZINC000739077066	600401820	/nfs/dbraw/zinc/40/18/20/600401820.db2.gz	GYQNDQVTWYGGRY-UHFFFAOYSA-N	-1	0	311.216	0.102	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1	ZINC000739077347	600403766	/nfs/dbraw/zinc/40/37/66/600403766.db2.gz	MKEJCVVSWLVFBJ-LBPRGKRZSA-N	-1	0	323.255	0.895	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)CCOc1ccccc1[N+](=O)[O-]	ZINC000739078088	600406736	/nfs/dbraw/zinc/40/67/36/600406736.db2.gz	XPDAUOXMSLBUHP-UHFFFAOYSA-N	-1	0	307.262	0.800	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@@H]1Oc2ccccc2NC1=O	ZINC000739077587	600408301	/nfs/dbraw/zinc/40/83/01/600408301.db2.gz	RJEKZLWUNGHPGB-NSHDSACASA-N	-1	0	303.274	0.213	20	30		DCEDRM
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000736233410	600408696	/nfs/dbraw/zinc/40/86/96/600408696.db2.gz	ZJCLJCDQEZTAES-LLVKDONJSA-N	-1	0	309.366	0.708	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccnc(N2CCCCC2)n1	ZINC000739088698	600550261	/nfs/dbraw/zinc/55/02/61/600550261.db2.gz	YXLWXXOFGWTJMO-UHFFFAOYSA-N	-1	0	303.322	0.517	20	30		DCEDRM
CCS(=O)(=O)CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737221980	600613301	/nfs/dbraw/zinc/61/33/01/600613301.db2.gz	HFJCNLIMDFZYFH-LBPRGKRZSA-N	-1	0	311.315	0.662	20	30		DCEDRM
O=C([O-])Cn1cc(S(=O)(=O)OCC(F)(F)C(F)F)cn1	ZINC000739911586	600688067	/nfs/dbraw/zinc/68/80/67/600688067.db2.gz	DJPJVGHGOASWBA-UHFFFAOYSA-N	-1	0	320.220	0.573	20	30		DCEDRM
N#Cc1cccc(OS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1	ZINC000739138976	600690605	/nfs/dbraw/zinc/69/06/05/600690605.db2.gz	AMUTZZHZXGMSAT-UHFFFAOYSA-N	-1	0	307.287	0.607	20	30		DCEDRM
C#CCSCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000231938147	600785324	/nfs/dbraw/zinc/78/53/24/600785324.db2.gz	RJXWFSMYWWMGBC-UHFFFAOYSA-N	-1	0	302.377	0.368	20	30		DCEDRM
CC(C)(C)OC(=O)CSCC(=O)N(CC#N)CC(=O)[O-]	ZINC000736261221	600788019	/nfs/dbraw/zinc/78/80/19/600788019.db2.gz	BSVDVCCOTXCLRU-UHFFFAOYSA-N	-1	0	302.352	0.498	20	30		DCEDRM
N#Cc1cccc(-c2nnc(Cn3nc(C(=O)[O-])ccc3=O)o2)c1	ZINC000739131846	600986769	/nfs/dbraw/zinc/98/67/69/600986769.db2.gz	GAGIXTYSULALQS-UHFFFAOYSA-N	-1	0	323.268	0.911	20	30		DCEDRM
C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000828251195	601003821	/nfs/dbraw/zinc/00/38/21/601003821.db2.gz	FNXWKRDXEZESPF-QWRGUYRKSA-N	-1	0	310.354	0.301	20	30		DCEDRM
COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832097509	601004133	/nfs/dbraw/zinc/00/41/33/601004133.db2.gz	DNHGLVYGVIMIAF-UHFFFAOYSA-N	-1	0	322.277	0.452	20	30		DCEDRM
N#C[C@@H]1COCCN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1	ZINC000833061953	601041982	/nfs/dbraw/zinc/04/19/82/601041982.db2.gz	IATDXPLSGKDZCJ-CHWSQXEVSA-N	-1	0	306.318	0.349	20	30		DCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2ncccc2c1	ZINC000833066715	601248292	/nfs/dbraw/zinc/24/82/92/601248292.db2.gz	GEYKJUXXWHKIRV-UHFFFAOYSA-N	-1	0	305.315	0.834	20	30		DCEDRM
N#Cc1ccc(OC[C@@H](O)CN2CCOC[C@H]2C(=O)[O-])cc1	ZINC000833071817	601561970	/nfs/dbraw/zinc/56/19/70/601561970.db2.gz	PKRFPUPHCDJLTP-JSGCOSHPSA-N	-1	0	306.318	0.083	20	30		DCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000833071253	601569581	/nfs/dbraw/zinc/56/95/81/601569581.db2.gz	DVYZNQUTHBFXTH-JSGCOSHPSA-N	-1	0	303.318	0.260	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000262737059	601714453	/nfs/dbraw/zinc/71/44/53/601714453.db2.gz	IUSHHMVBDFJFKR-OAHLLOKOSA-N	-1	0	322.292	0.971	20	30		DCEDRM
C[C@H](CS(=O)(=O)NCc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC000827564114	601786687	/nfs/dbraw/zinc/78/66/87/601786687.db2.gz	VRRXGXHPNTUHPY-SNVBAGLBSA-N	-1	0	312.347	0.729	20	30		DCEDRM
C[C@@H](C(=O)N(CC#N)CC(=O)[O-])c1ccc(S(C)(=O)=O)cc1	ZINC000825972620	601804332	/nfs/dbraw/zinc/80/43/32/601804332.db2.gz	ZGIMSLNOZLKEND-SNVBAGLBSA-N	-1	0	324.358	0.630	20	30		DCEDRM
COC[C@@](C)(NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000831631222	601804947	/nfs/dbraw/zinc/80/49/47/601804947.db2.gz	CEAYAACPKFSKQN-GFCCVEGCSA-N	-1	0	316.310	0.465	20	30		DCEDRM
C[C@@H]1CN(C(=O)NCCNc2ncccc2C#N)C[C@@H]1C(=O)[O-]	ZINC000828363641	601825490	/nfs/dbraw/zinc/82/54/90/601825490.db2.gz	XNMVFZPKVWYCKC-PWSUYJOCSA-N	-1	0	317.349	0.727	20	30		DCEDRM
C=CCNC(=O)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O	ZINC000321210102	601866416	/nfs/dbraw/zinc/86/64/16/601866416.db2.gz	WMNHERBGJZQYGY-UHFFFAOYSA-N	-1	0	317.301	0.456	20	30		DCEDRM
C=CCNC(=O)CN1CCN(Cc2ccc(C(=O)[O-])s2)CC1	ZINC000825687492	601938319	/nfs/dbraw/zinc/93/83/19/601938319.db2.gz	MHVXMTKTVDRHQY-UHFFFAOYSA-N	-1	0	323.418	0.866	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)[O-])cc1	ZINC000831141410	603148158	/nfs/dbraw/zinc/14/81/58/603148158.db2.gz	HWQQKUBRXABATH-LLVKDONJSA-N	-1	0	309.347	0.979	20	30		DCEDRM
C[C@H](CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)NC(=O)[O-]	ZINC000824599711	603386169	/nfs/dbraw/zinc/38/61/69/603386169.db2.gz	RLZNMXPAJWEORZ-LLVKDONJSA-N	-1	0	317.349	0.648	20	30		DCEDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNS(=O)(=O)CCCC#N	ZINC000826126021	603507719	/nfs/dbraw/zinc/50/77/19/603507719.db2.gz	MGDIMAIFQCUSLR-VHSXEESVSA-N	-1	0	319.383	0.713	20	30		DCEDRM
C=CCN(C(=O)CC1CN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1	ZINC000823500666	603563897	/nfs/dbraw/zinc/56/38/97/603563897.db2.gz	JSICEWQHSSXVGJ-LLVKDONJSA-N	-1	0	316.379	0.188	20	30		DCEDRM
CC(C)(CNC(=O)CNC(=O)c1ccc(C#N)cc1)NC(=O)[O-]	ZINC000823912109	603576682	/nfs/dbraw/zinc/57/66/82/603576682.db2.gz	KJEWEPZDFWPYEO-UHFFFAOYSA-N	-1	0	318.333	0.450	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CSc1ccncc1	ZINC000831082381	603589110	/nfs/dbraw/zinc/58/91/10/603589110.db2.gz	LMRNCYQRHUSWPP-JTQLQIEISA-N	-1	0	306.347	0.888	20	30		DCEDRM
COC(=O)c1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)s1	ZINC000828767161	603590649	/nfs/dbraw/zinc/59/06/49/603590649.db2.gz	VAOQXZVTHAAJTH-MRVPVSSYSA-N	-1	0	323.330	0.863	20	30		DCEDRM
COC(=O)[C@H](OC(=O)[C@@H](C)NC(=O)[O-])c1cccc(C#N)c1	ZINC000828613886	603613174	/nfs/dbraw/zinc/61/31/74/603613174.db2.gz	XXLDZPBHGWITCV-LDYMZIIASA-N	-1	0	306.274	0.972	20	30		DCEDRM
N#CCN1CCC(CNC(=O)[C@@H]2CSCN2C(=O)[O-])CC1	ZINC000831102541	603688255	/nfs/dbraw/zinc/68/82/55/603688255.db2.gz	NBGNDAKTMSMDOY-NSHDSACASA-N	-1	0	312.395	0.391	20	30		DCEDRM
C[C@@H]1CCCN(S(=O)(=O)CCCC#N)[C@H]1CNC(=O)[O-]	ZINC000825930446	603757284	/nfs/dbraw/zinc/75/72/84/603757284.db2.gz	ADOJNSCGZLAZON-MNOVXSKESA-N	-1	0	303.384	0.988	20	30		DCEDRM
N#CCNC(=O)COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-]	ZINC000831102813	603931019	/nfs/dbraw/zinc/93/10/19/603931019.db2.gz	VGSYTVNEZOKMSD-WDEREUQCSA-N	-1	0	311.338	0.776	20	30		DCEDRM
C[C@H](OC(=O)C[C@@H]1CCCN1C(=O)[O-])C(=O)N(C)CCC#N	ZINC000825580458	603934387	/nfs/dbraw/zinc/93/43/87/603934387.db2.gz	SUTKQTGPWKOCOK-QWRGUYRKSA-N	-1	0	311.338	0.823	20	30		DCEDRM
C=CCNC(=O)NC(=O)COC(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000823511401	603949528	/nfs/dbraw/zinc/94/95/28/603949528.db2.gz	WPRINICTBCOCIA-SECBINFHSA-N	-1	0	313.310	0.074	20	30		DCEDRM
CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C#N)N1CCN(C(=O)[O-])CC1	ZINC000823737381	604028515	/nfs/dbraw/zinc/02/85/15/604028515.db2.gz	GNGZTWMQCRRFHU-VXGBXAGGSA-N	-1	0	308.382	0.869	20	30		DCEDRM
CN(C(=O)COC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)C(C)(C)C#N	ZINC000827774869	604044203	/nfs/dbraw/zinc/04/42/03/604044203.db2.gz	NQDSWWYVTMEMDT-NXEZZACHSA-N	-1	0	311.338	0.726	20	30		DCEDRM
CNC(=O)c1cccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000828566106	604088711	/nfs/dbraw/zinc/08/87/11/604088711.db2.gz	FXSUTJFEEOYXGK-LBPRGKRZSA-N	-1	0	316.317	0.374	20	30		DCEDRM
CN(C(=O)COC(=O)[C@]1(C)CCN(C(=O)[O-])C1)C(C)(C)C#N	ZINC000827775212	604100852	/nfs/dbraw/zinc/10/08/52/604100852.db2.gz	OSVFTYNTJRUYGM-CQSZACIVSA-N	-1	0	311.338	0.680	20	30		DCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@H](C)CN(C)C(=O)[O-])CC1	ZINC000823456837	604130822	/nfs/dbraw/zinc/13/08/22/604130822.db2.gz	QMKFFUAXVHKJEK-LLVKDONJSA-N	-1	0	309.366	0.220	20	30		DCEDRM
Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)c1C#N	ZINC000830512258	604135197	/nfs/dbraw/zinc/13/51/97/604135197.db2.gz	WHJFPGAIZQLMAK-JTQLQIEISA-N	-1	0	316.317	0.674	20	30		DCEDRM
CN(C[C@H]1CCN(C(=O)Nc2nn(C)cc2C#N)C1)C(=O)[O-]	ZINC000828253848	604154815	/nfs/dbraw/zinc/15/48/15/604154815.db2.gz	SHTDSNHLTXDKEV-SECBINFHSA-N	-1	0	306.326	0.755	20	30		DCEDRM
COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000828993036	604219391	/nfs/dbraw/zinc/21/93/91/604219391.db2.gz	VIWGVLXQXLDJFS-HBNTYKKESA-N	-1	0	311.338	0.284	20	30		DCEDRM
C#CCCCNC(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1	ZINC000823444956	604231476	/nfs/dbraw/zinc/23/14/76/604231476.db2.gz	RPAGGKRQCPXGDB-LBPRGKRZSA-N	-1	0	324.381	0.205	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H](NC(=O)[O-])C2)cc1	ZINC000831141296	604368985	/nfs/dbraw/zinc/36/89/85/604368985.db2.gz	GEKASEGBFXXVGL-GFCCVEGCSA-N	-1	0	323.374	0.674	20	30		DCEDRM
C#CCN1CCN(S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)CC1	ZINC000237734624	604464660	/nfs/dbraw/zinc/46/46/60/604464660.db2.gz	JDYJROVDMCWAAN-UHFFFAOYSA-N	-1	0	322.386	0.633	20	30		DCEDRM
N#CCCN(C(=O)CN[C@@]1(C(=O)[O-])CCOC1)c1ccccc1	ZINC000833760149	604486761	/nfs/dbraw/zinc/48/67/61/604486761.db2.gz	HMNXINSJSSGBIO-INIZCTEOSA-N	-1	0	317.345	0.767	20	30		DCEDRM
C[C@@H](CC(=O)OCC(=O)NCC#N)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824730507	604538416	/nfs/dbraw/zinc/53/84/16/604538416.db2.gz	XRZLSRWIWFKQKF-QWRGUYRKSA-N	-1	0	311.338	0.586	20	30		DCEDRM
C#CCOCCC(=O)OCC(=O)Nc1ccsc1C(=O)[O-]	ZINC000833366389	604587521	/nfs/dbraw/zinc/58/75/21/604587521.db2.gz	UXZPUXFSUBCYNH-UHFFFAOYSA-N	-1	0	311.315	0.968	20	30		DCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)C2(C#N)CCOCC2)CCO1	ZINC000825295637	604722469	/nfs/dbraw/zinc/72/24/69/604722469.db2.gz	WGEVLSGDSJMPGX-GHMZBOCLSA-N	-1	0	311.338	0.190	20	30		DCEDRM
N#CCN(C(=O)COC(=O)C1(NC(=O)[O-])CC1)c1ccccc1	ZINC000831097745	604759280	/nfs/dbraw/zinc/75/92/80/604759280.db2.gz	SKQJIRQGFQVDQA-UHFFFAOYSA-N	-1	0	317.301	0.887	20	30		DCEDRM
CN(C(=O)COC(=O)c1cnccc1C(=O)[O-])C(C)(C)C#N	ZINC000830490567	604870091	/nfs/dbraw/zinc/87/00/91/604870091.db2.gz	UKBIMPVXZJSWEU-UHFFFAOYSA-N	-1	0	305.290	0.697	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1	ZINC000833366234	604905213	/nfs/dbraw/zinc/90/52/13/604905213.db2.gz	MVDAZKQZSSYZLN-HNNXBMFYSA-N	-1	0	317.341	0.996	20	30		DCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)CN(CC(=O)[O-])C2CC2)CC1	ZINC000833467488	605043253	/nfs/dbraw/zinc/04/32/53/605043253.db2.gz	WJRTULRPFLEXJQ-CQSZACIVSA-N	-1	0	322.409	0.228	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)CN(CC(=O)[O-])C(C)C)CC1	ZINC000819954953	605043524	/nfs/dbraw/zinc/04/35/24/605043524.db2.gz	DWHJMABWWWYRMT-AWEZNQCLSA-N	-1	0	324.425	0.474	20	30		DCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833369758	605059473	/nfs/dbraw/zinc/05/94/73/605059473.db2.gz	DLMWNJDEPDIULM-VIFPVBQESA-N	-1	0	317.338	0.987	20	30		DCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000833370569	605059507	/nfs/dbraw/zinc/05/95/07/605059507.db2.gz	LPQFRFUZLAZHLF-MRVPVSSYSA-N	-1	0	305.377	0.909	20	30		DCEDRM
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC000833370475	605093293	/nfs/dbraw/zinc/09/32/93/605093293.db2.gz	KSQANWQDZUNDKX-MRVPVSSYSA-N	-1	0	312.347	0.686	20	30		DCEDRM
CC(=Nn1cc(Br)cn1)c1cn(CC(=O)[O-])nn1	ZINC000833386957	605138583	/nfs/dbraw/zinc/13/85/83/605138583.db2.gz	FOMGTYHPMNJSAB-UHFFFAOYSA-N	-1	0	313.115	0.594	20	30		DCEDRM
CC(C)(C)OC(=O)N(CC(=O)N(CC#N)CC(=O)[O-])C1CC1	ZINC000833433435	605148408	/nfs/dbraw/zinc/14/84/08/605148408.db2.gz	BGBLJZUPKDKYAO-UHFFFAOYSA-N	-1	0	311.338	0.823	20	30		DCEDRM
C=CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000393783626	605209794	/nfs/dbraw/zinc/20/97/94/605209794.db2.gz	HHJOLMBDRSCBLW-UHFFFAOYSA-N	-1	0	312.347	0.274	20	30		DCEDRM
CN(C)C(=O)NCCN(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833693865	605245207	/nfs/dbraw/zinc/24/52/07/605245207.db2.gz	XAFBBIUHEYFJBW-UHFFFAOYSA-N	-1	0	304.350	0.959	20	30		DCEDRM
N#CCCNC(=O)COC(=O)CN(C(=O)[O-])c1ccccc1	ZINC000831097853	605317899	/nfs/dbraw/zinc/31/78/99/605317899.db2.gz	WJKCXCIBBHLERZ-UHFFFAOYSA-N	-1	0	305.290	0.744	20	30		DCEDRM
N#Cc1cccc(CN2C(=O)N[C@@]3(CCN(C(=O)[O-])C3)C2=O)c1	ZINC000831146197	605342586	/nfs/dbraw/zinc/34/25/86/605342586.db2.gz	KSPPPAOSJYIVLS-OAHLLOKOSA-N	-1	0	314.301	0.733	20	30		DCEDRM
N#Cc1cccc(S(=O)(=O)NC[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000833977044	605428235	/nfs/dbraw/zinc/42/82/35/605428235.db2.gz	UOKOOOVWUWAEBR-NSHDSACASA-N	-1	0	309.347	0.836	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCN(C)C(=O)[O-]	ZINC000833902629	605541111	/nfs/dbraw/zinc/54/11/11/605541111.db2.gz	ZYQVMJNSGMNEPJ-UHFFFAOYSA-N	-1	0	318.333	0.873	20	30		DCEDRM
C=CCN(CC=C)C(=O)COC(=O)c1cnc(C(=O)[O-])cn1	ZINC000833375059	605641820	/nfs/dbraw/zinc/64/18/20/605641820.db2.gz	FMGWGCCTYJAIJP-UHFFFAOYSA-N	-1	0	305.290	0.532	20	30		DCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CSCC#N	ZINC000833708264	605650803	/nfs/dbraw/zinc/65/08/03/605650803.db2.gz	PQLTWLNWNGOEGA-IUCAKERBSA-N	-1	0	300.336	0.108	20	30		DCEDRM
C=CCOCCCC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833375521	605662571	/nfs/dbraw/zinc/66/25/71/605662571.db2.gz	CPHAOLHRSXIUGK-RYUDHWBXSA-N	-1	0	313.350	0.834	20	30		DCEDRM
N#Cc1cccc(C(=O)COC(=O)COC2CN(C(=O)[O-])C2)c1	ZINC000833977579	605723502	/nfs/dbraw/zinc/72/35/02/605723502.db2.gz	UHHMRQAYLLZMJS-UHFFFAOYSA-N	-1	0	318.285	0.663	20	30		DCEDRM
C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000833895753	605846516	/nfs/dbraw/zinc/84/65/16/605846516.db2.gz	GOUBYGIPWLOZIJ-ZWNOBZJWSA-N	-1	0	303.318	0.802	20	30		DCEDRM
O=C([O-])N[C@@H]1CCCC1=NN=C1NS(=O)(=O)c2ccccc21	ZINC000834170428	605859387	/nfs/dbraw/zinc/85/93/87/605859387.db2.gz	UGSWZZQHQAGKET-SECBINFHSA-N	-1	0	322.346	0.901	20	30		DCEDRM
O=C([O-])N[C@H]1CCCC1=NN=C1NS(=O)(=O)c2ccccc21	ZINC000834170429	605859402	/nfs/dbraw/zinc/85/94/02/605859402.db2.gz	UGSWZZQHQAGKET-VIFPVBQESA-N	-1	0	322.346	0.901	20	30		DCEDRM
C#CCNC(=O)COC(=O)[C@@H]1c2ccccc2CCN1C(=O)[O-]	ZINC000823455798	605892746	/nfs/dbraw/zinc/89/27/46/605892746.db2.gz	FYHLNUQVXSCVHV-AWEZNQCLSA-N	-1	0	316.313	0.556	20	30		DCEDRM
C#CCCNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC000833365286	605916461	/nfs/dbraw/zinc/91/64/61/605916461.db2.gz	NPKVIPSORFEJHE-UHFFFAOYSA-N	-1	0	320.301	0.480	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)s1	ZINC000821691392	606176570	/nfs/dbraw/zinc/17/65/70/606176570.db2.gz	SLAYSDBMXFCHBJ-SSDOTTSWSA-N	-1	0	320.334	0.013	20	30		DCEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1	ZINC000820691807	607217218	/nfs/dbraw/zinc/21/72/18/607217218.db2.gz	ZOFQHBUXNBICPC-RNCFNFMXSA-N	-1	0	315.341	0.047	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCC1=O	ZINC000824864313	608116784	/nfs/dbraw/zinc/11/67/84/608116784.db2.gz	AGOKIYFDZAYJCN-RNFRBKRXSA-N	-1	0	314.309	0.405	20	30		DCEDRM
Cc1ccc(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cc1O	ZINC000826286435	608279142	/nfs/dbraw/zinc/27/91/42/608279142.db2.gz	BYAGKURZXGHVFB-UHFFFAOYSA-N	-1	0	324.304	0.657	20	30		DCEDRM
C=CCN(Cc1n[nH]c(=O)[n-]1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823914446	608646867	/nfs/dbraw/zinc/64/68/67/608646867.db2.gz	IVXTUMBEFKRFAG-UHFFFAOYSA-N	-1	0	312.337	0.879	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC000970446936	657526566	/nfs/dbraw/zinc/52/65/66/657526566.db2.gz	LPLDFQVWBRZUPP-JLLWLGSASA-N	-1	0	321.381	0.038	20	30		DCEDRM
C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC000970542256	657615360	/nfs/dbraw/zinc/61/53/60/657615360.db2.gz	ZRIJAGLUIMPPIS-LLVKDONJSA-N	-1	0	315.377	0.649	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]32)c1[O-]	ZINC001021398159	657736627	/nfs/dbraw/zinc/73/66/27/657736627.db2.gz	NPAKJVNZRAYWPX-DVVUODLYSA-N	-1	0	317.349	0.256	20	30		DCEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000048518748	658051348	/nfs/dbraw/zinc/05/13/48/658051348.db2.gz	MZUATWLPTSOSRL-LURJTMIESA-N	-1	0	305.381	0.521	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)N(C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1	ZINC000939411566	665576303	/nfs/dbraw/zinc/57/63/03/665576303.db2.gz	SEYFDAIMRAJXAC-GXSJLCMTSA-N	-1	0	317.349	0.323	20	30		DCEDRM
CC#CCN1CCO[C@]2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)C1	ZINC000972341206	658589790	/nfs/dbraw/zinc/58/97/90/658589790.db2.gz	BIQSOQZKBQDBAF-MRXNPFEDSA-N	-1	0	318.377	0.364	20	30		DCEDRM
Cn1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(Br)n1	ZINC000892497392	658727668	/nfs/dbraw/zinc/72/76/68/658727668.db2.gz	ZBTHVSUOADNEHK-ZETCQYMHSA-N	-1	0	311.139	0.784	20	30		DCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C	ZINC000893168515	658964587	/nfs/dbraw/zinc/96/45/87/658964587.db2.gz	URCGUKCRSUPNDY-UHFFFAOYSA-N	-1	0	324.387	0.140	20	30		DCEDRM
C=CCCC(=O)[N-]S(=O)(=O)N1CCCC[C@@H]1C(=O)OCC	ZINC000893452346	659331436	/nfs/dbraw/zinc/33/14/36/659331436.db2.gz	AEIMXCFELWTZNI-LLVKDONJSA-N	-1	0	318.395	0.731	20	30		DCEDRM
Cc1csc(=O)n1CCC(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000048869594	662013437	/nfs/dbraw/zinc/01/34/37/662013437.db2.gz	YRYQEYQKCSKXQC-UHFFFAOYSA-N	-1	0	319.408	0.905	20	30		DCEDRM
CC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)COC1	ZINC000760400965	668269956	/nfs/dbraw/zinc/26/99/56/668269956.db2.gz	GTFADAAWFMYDDC-UHFFFAOYSA-N	-1	0	300.380	0.943	20	30		DCEDRM
C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1	ZINC000986393335	662587952	/nfs/dbraw/zinc/58/79/52/662587952.db2.gz	AAAOYDMURCTYKL-ONGXEEELSA-N	-1	0	301.350	0.776	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](NCC#N)C[C@H]2C)cc1=O	ZINC000989126440	662884308	/nfs/dbraw/zinc/88/43/08/662884308.db2.gz	RPCILTNITTYSBW-OCCSQVGLSA-N	-1	0	319.409	0.477	20	30		DCEDRM
C=CCn1cc(CNC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C(=O)[O-])nn1	ZINC000899789025	663189292	/nfs/dbraw/zinc/18/92/92/663189292.db2.gz	OCCGILQOWMWLOH-LRQBHLAOSA-N	-1	0	316.361	0.993	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)CC1	ZINC000899926034	663201070	/nfs/dbraw/zinc/20/10/70/663201070.db2.gz	JTYKGCNMNDVGKJ-LBPRGKRZSA-N	-1	0	310.375	0.810	20	30		DCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)CCOCC2CC2)C1	ZINC000899925709	663201109	/nfs/dbraw/zinc/20/11/09/663201109.db2.gz	GNYBAROAJCJCJA-LBPRGKRZSA-N	-1	0	315.391	0.543	20	30		DCEDRM
CN(CC1CC1)S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899930316	663201616	/nfs/dbraw/zinc/20/16/16/663201616.db2.gz	RDDVQTGCFHORRD-LLVKDONJSA-N	-1	0	300.380	0.373	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NC1CC2(C1)CO[C@@H](C)C2)C(=O)[O-]	ZINC000900297034	663232719	/nfs/dbraw/zinc/23/27/19/663232719.db2.gz	DKXSMVKQARGKNT-DILZAHMFSA-N	-1	0	312.366	0.899	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC1CC2(C1)CO[C@@H](C)C2)C(=O)[O-]	ZINC000900297032	663232887	/nfs/dbraw/zinc/23/28/87/663232887.db2.gz	DKXSMVKQARGKNT-BVWOZKJXSA-N	-1	0	312.366	0.899	20	30		DCEDRM
CO[C@@H]1C[C@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O	ZINC000900679750	663271114	/nfs/dbraw/zinc/27/11/14/663271114.db2.gz	WEIHBLOCDBMSHR-CHWSQXEVSA-N	-1	0	318.329	0.925	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CC2(CCC2)CO1)C(=O)[O-]	ZINC000905577252	663566555	/nfs/dbraw/zinc/56/65/55/663566555.db2.gz	MDARRUDGZIXQQY-RYUDHWBXSA-N	-1	0	312.366	0.901	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)[C@@H]1CCCO1	ZINC000906936150	663652729	/nfs/dbraw/zinc/65/27/29/663652729.db2.gz	WULYHIHQHCMBFB-JQWIXIFHSA-N	-1	0	312.347	0.182	20	30		DCEDRM
C=CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000908751024	663768215	/nfs/dbraw/zinc/76/82/15/663768215.db2.gz	MGFHVMCKDHYIMK-QWRGUYRKSA-N	-1	0	303.380	0.545	20	30		DCEDRM
C#CCSCCNC(=O)N(C)[C@@H](COC(C)C)C(=O)[O-]	ZINC000909051840	663779847	/nfs/dbraw/zinc/77/98/47/663779847.db2.gz	GPDDIHWCCJIRKH-NSHDSACASA-N	-1	0	302.396	0.872	20	30		DCEDRM
C=C[C@@H](O)C(=O)NC[C@@H](Cc1ccc(OCC)cc1)C(=O)[O-]	ZINC000909171297	663785667	/nfs/dbraw/zinc/78/56/67/663785667.db2.gz	NTPCMXLXSSBJDK-TZMCWYRMSA-N	-1	0	307.346	0.992	20	30		DCEDRM
C=CCC[C@@H](NC(=O)[C@@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC000909714783	663796424	/nfs/dbraw/zinc/79/64/24/663796424.db2.gz	IDZTVRCPLABZQK-ZJUUUORDSA-N	-1	0	306.309	0.488	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1cn2cccc(C)c2n1)C(=O)[O-]	ZINC000909772098	663800883	/nfs/dbraw/zinc/80/08/83/663800883.db2.gz	VFEKVJBVAOBILJ-CYBMUJFWSA-N	-1	0	317.345	0.957	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)OCc1ccncc1)C(=O)[O-]	ZINC000909772964	663800919	/nfs/dbraw/zinc/80/09/19/663800919.db2.gz	ZCGYRDMCPDMAFQ-AAEUAGOBSA-N	-1	0	308.334	0.759	20	30		DCEDRM
C#CC[C@H](NC(=O)CN1c2ccccc2OCCC1=O)C(=O)[O-]	ZINC000910051172	663836733	/nfs/dbraw/zinc/83/67/33/663836733.db2.gz	GEKPWFBMHAOCSJ-NSHDSACASA-N	-1	0	316.313	0.395	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)C(=O)[O-]	ZINC000910052363	663837267	/nfs/dbraw/zinc/83/72/67/663837267.db2.gz	VPWZNKYDLTYRGU-JSGCOSHPSA-N	-1	0	314.341	0.941	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)[O-]	ZINC000910052437	663837396	/nfs/dbraw/zinc/83/73/96/663837396.db2.gz	XUODYIXUYHYVSM-PWSUYJOCSA-N	-1	0	318.304	0.771	20	30		DCEDRM
C#CC[C@@H](NC(=O)Cc1cc(F)cc2c1OCOC2)C(=O)[O-]	ZINC000910052065	663837419	/nfs/dbraw/zinc/83/74/19/663837419.db2.gz	MVZNGYKXUOCSBF-GFCCVEGCSA-N	-1	0	307.277	0.827	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)C(=O)[O-]	ZINC000910053758	663837990	/nfs/dbraw/zinc/83/79/90/663837990.db2.gz	CXKAUJASZZVMDZ-OLZOCXBDSA-N	-1	0	318.304	0.771	20	30		DCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN(C(=O)[C@H](C)CC)C1)C(=O)[O-]	ZINC000910054455	663838008	/nfs/dbraw/zinc/83/80/08/663838008.db2.gz	OQSJNEHMQUDCLU-AGIUHOORSA-N	-1	0	308.378	0.864	20	30		DCEDRM
C#CC[C@H](NC(=O)c1cc(C)nn1C1CCOCC1)C(=O)[O-]	ZINC000910048991	663840304	/nfs/dbraw/zinc/84/03/04/663840304.db2.gz	QMFOWYQDURTDMA-LBPRGKRZSA-N	-1	0	305.334	0.749	20	30		DCEDRM
C#CC[C@H](NC(=O)Cn1cc(C)c(C(F)(F)F)n1)C(=O)[O-]	ZINC000910049030	663840631	/nfs/dbraw/zinc/84/06/31/663840631.db2.gz	RMEDRNVFMGZIRC-QMMMGPOBSA-N	-1	0	303.240	0.803	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000910098069	663844823	/nfs/dbraw/zinc/84/48/23/663844823.db2.gz	HMUGVXKWLCTBQP-IAQYHMDHSA-N	-1	0	322.365	0.979	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)N1CC([C@@H](F)C(=O)[O-])C1	ZINC000910134772	663846541	/nfs/dbraw/zinc/84/65/41/663846541.db2.gz	HRRFQHIOIKUQLU-CQSZACIVSA-N	-1	0	322.292	0.827	20	30		DCEDRM
C=CCN(CC(=O)[O-])c1cc(N2CCC[C@H](CO)C2)ncn1	ZINC000910402897	663877404	/nfs/dbraw/zinc/87/74/04/663877404.db2.gz	UQQXKGVTKUCDDX-LBPRGKRZSA-N	-1	0	306.366	0.762	20	30		DCEDRM
C=CCOc1cc(OC)ccc1C(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC000910528189	663900109	/nfs/dbraw/zinc/90/01/09/663900109.db2.gz	UTJPRTQNHKGPGM-MRXNPFEDSA-N	-1	0	321.329	0.922	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](c2cc(=O)[nH][nH]2)C1	ZINC000911850876	664116970	/nfs/dbraw/zinc/11/69/70/664116970.db2.gz	ARVOQEVGZOMPNT-AAEUAGOBSA-N	-1	0	306.366	0.902	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000912627325	664198473	/nfs/dbraw/zinc/19/84/73/664198473.db2.gz	CNXAPTNOTHMOLG-ZDUSSCGKSA-N	-1	0	308.334	0.898	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC2CN(Cc3ccc(C#N)s3)C2)c1[O-]	ZINC001030223488	664479755	/nfs/dbraw/zinc/47/97/55/664479755.db2.gz	BZMSLWJXCBAECK-UHFFFAOYSA-N	-1	0	317.374	0.971	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCOC2)c1	ZINC000171039997	664601028	/nfs/dbraw/zinc/60/10/28/664601028.db2.gz	JPXNNEGUJYQRAN-CYBMUJFWSA-N	-1	0	308.359	0.931	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)nnn2C	ZINC000171566500	664610343	/nfs/dbraw/zinc/61/03/43/664610343.db2.gz	AWRGNKNUQBCPHQ-SNVBAGLBSA-N	-1	0	301.306	0.053	20	30		DCEDRM
Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000753944574	664761743	/nfs/dbraw/zinc/76/17/43/664761743.db2.gz	AAGDLFKKLJGMND-UHFFFAOYSA-N	-1	0	310.379	0.329	20	30		DCEDRM
CCOCCS(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000732509573	664939675	/nfs/dbraw/zinc/93/96/75/664939675.db2.gz	LBOXVSQWSCALKO-UHFFFAOYSA-N	-1	0	312.347	0.420	20	30		DCEDRM
CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000916774500	665093253	/nfs/dbraw/zinc/09/32/53/665093253.db2.gz	XWTGICPRENDZNB-SECBINFHSA-N	-1	0	309.347	0.278	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])n1C	ZINC000916869163	665098027	/nfs/dbraw/zinc/09/80/27/665098027.db2.gz	URKMKIKOERXQBC-SNVBAGLBSA-N	-1	0	322.321	0.799	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(Cc2ccccc2)nn1	ZINC000916916746	665100590	/nfs/dbraw/zinc/10/05/90/665100590.db2.gz	BBGVZASRTWVSEE-ZDUSSCGKSA-N	-1	0	309.329	0.951	20	30		DCEDRM
COC(=O)COc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC000918487122	665171943	/nfs/dbraw/zinc/17/19/43/665171943.db2.gz	PVQHIIUDFFOWKK-ZDUSSCGKSA-N	-1	0	316.313	0.839	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncn(-c2ccccc2)n1	ZINC000179699853	665393749	/nfs/dbraw/zinc/39/37/49/665393749.db2.gz	BAYDCACAICIAOF-GFCCVEGCSA-N	-1	0	313.317	0.352	20	30		DCEDRM
N#Cc1ccccc1/C=C/C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000733721000	666807930	/nfs/dbraw/zinc/80/79/30/666807930.db2.gz	FYILVZWCPPYRBJ-GFUIURDCSA-N	-1	0	306.343	0.806	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-]	ZINC000863421257	667142347	/nfs/dbraw/zinc/14/23/47/667142347.db2.gz	QCXDRBTUTNWDSI-MRVPVSSYSA-N	-1	0	319.770	0.703	20	30		DCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)[O-]	ZINC000863421821	667142450	/nfs/dbraw/zinc/14/24/50/667142450.db2.gz	WMPCGPBSDNJHAP-SECBINFHSA-N	-1	0	307.759	0.777	20	30		DCEDRM
CC(C)(C)SCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863934831	667195214	/nfs/dbraw/zinc/19/52/14/667195214.db2.gz	OYMJXBGIZJPLEO-UHFFFAOYSA-N	-1	0	322.390	0.736	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)Cc1nc(C2CC2)nn1C)C(=O)[O-]	ZINC000864186228	667222793	/nfs/dbraw/zinc/22/27/93/667222793.db2.gz	LBDMKKNGGBUXSE-VIFPVBQESA-N	-1	0	312.757	0.947	20	30		DCEDRM
COc1cc(C#N)ccc1OCC(=O)NC1CC(C(=O)[O-])C1	ZINC000864203637	667223817	/nfs/dbraw/zinc/22/38/17/667223817.db2.gz	ZHKJICVBAQHBAB-UHFFFAOYSA-N	-1	0	304.302	0.925	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)NCC[C@@H](COC)OC)C(=O)[O-]	ZINC000864529619	667258566	/nfs/dbraw/zinc/25/85/66/667258566.db2.gz	YWKSZSLTGLFGPZ-UWVGGRQHSA-N	-1	0	308.762	0.933	20	30		DCEDRM
C=C(Cl)C[C@@H](NC(=O)NCC[C@@H](COC)OC)C(=O)[O-]	ZINC000864529620	667258726	/nfs/dbraw/zinc/25/87/26/667258726.db2.gz	YWKSZSLTGLFGPZ-VHSXEESVSA-N	-1	0	308.762	0.933	20	30		DCEDRM
CC1CCC(N2C[C@H](C(=O)N(CC#N)CC(=O)[O-])CC2=O)CC1	ZINC000736761099	667283093	/nfs/dbraw/zinc/28/30/93/667283093.db2.gz	HVEFKGMKJBYRLP-OTTFEQOBSA-N	-1	0	321.377	0.850	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)N=c1nn[n-]n1CC	ZINC000888338129	667301400	/nfs/dbraw/zinc/30/14/00/667301400.db2.gz	OQLVJYNPYNOUAI-UHFFFAOYSA-N	-1	0	300.322	0.449	20	30		DCEDRM
C#CC[C@H](CCOC)N=c1nn[n-]n1Cc1ccc(OC)cc1	ZINC000865977741	667358380	/nfs/dbraw/zinc/35/83/80/667358380.db2.gz	SXWXUNZMWMWIGZ-CQSZACIVSA-N	-1	0	315.377	0.992	20	30		DCEDRM
C#CC[C@@H](CCOC)N=c1nn[n-]n1Cc1ccc(OC)cc1	ZINC000865977740	667358434	/nfs/dbraw/zinc/35/84/34/667358434.db2.gz	SXWXUNZMWMWIGZ-AWEZNQCLSA-N	-1	0	315.377	0.992	20	30		DCEDRM
C=CCOCC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1	ZINC000868456598	667573664	/nfs/dbraw/zinc/57/36/64/667573664.db2.gz	ZJJYTMWEZMBRPW-NWDGAFQWSA-N	-1	0	307.350	0.639	20	30		DCEDRM
CCO[C@@H]1COCC[C@H]1CC(=O)N[C@@H]1CCCN(O)C1=O	ZINC000868562658	667581359	/nfs/dbraw/zinc/58/13/59/667581359.db2.gz	JVGYOEYUUICGMX-QJPTWQEYSA-N	-1	0	300.355	0.315	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@@H](O)C1CCC1)cc2=O	ZINC000838309207	667685534	/nfs/dbraw/zinc/68/55/34/667685534.db2.gz	KMBULFSOBMSRLG-LBPRGKRZSA-N	-1	0	302.290	0.511	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](OCC)[C@H]2CCOC2)CC1	ZINC000870369058	667734804	/nfs/dbraw/zinc/73/48/04/667734804.db2.gz	JFMNVZYKAHXAFT-RYUDHWBXSA-N	-1	0	317.407	0.983	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCOC[C@H]2CCCO2)CC1	ZINC000870831692	667764856	/nfs/dbraw/zinc/76/48/56/667764856.db2.gz	AWCNJRJIAGDTKL-LLVKDONJSA-N	-1	0	303.380	0.737	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)C2CCCC2)CC1	ZINC000870831920	667764915	/nfs/dbraw/zinc/76/49/15/667764915.db2.gz	LPNBRMLRVHTYAT-LBPRGKRZSA-N	-1	0	314.407	0.846	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCSCC(=O)OC)CC1	ZINC000870832826	667764921	/nfs/dbraw/zinc/76/49/21/667764921.db2.gz	RQUQKGZGOKRWHZ-UHFFFAOYSA-N	-1	0	307.393	0.447	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CN2CCN(C3CC3)C2=O)CC1	ZINC000870839267	667765466	/nfs/dbraw/zinc/76/54/66/667765466.db2.gz	WWPLFRUGPPDITF-UHFFFAOYSA-N	-1	0	313.379	0.051	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCOC[C@@H]2OCC)CC1	ZINC000870840093	667765933	/nfs/dbraw/zinc/76/59/33/667765933.db2.gz	INKPKNBVQLPMTR-RYUDHWBXSA-N	-1	0	317.407	0.983	20	30		DCEDRM
C=CCC1(O)CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1	ZINC000887052208	667841835	/nfs/dbraw/zinc/84/18/35/667841835.db2.gz	OBSONYLZNZEPGA-LLVKDONJSA-N	-1	0	312.366	0.095	20	30		DCEDRM
C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)no2)CC1	ZINC000872670533	667928153	/nfs/dbraw/zinc/92/81/53/667928153.db2.gz	JXDCDQWPKHZTSS-MGCOHNPYSA-N	-1	0	312.347	0.932	20	30		DCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1	ZINC000749025266	667944103	/nfs/dbraw/zinc/94/41/03/667944103.db2.gz	PEXIXAFFIVBTPM-UHFFFAOYSA-N	-1	0	318.395	0.589	20	30		DCEDRM
CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccc1C#N	ZINC000752820489	668022480	/nfs/dbraw/zinc/02/24/80/668022480.db2.gz	YVCXOGWXONDYPM-UHFFFAOYSA-N	-1	0	308.301	0.606	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnc(O[C@H]2CCOC2)c1	ZINC000755605028	668062706	/nfs/dbraw/zinc/06/27/06/668062706.db2.gz	XEHCEKNLJOJUDE-STQMWFEESA-N	-1	0	315.329	0.874	20	30		DCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccnc(O[C@H]2CCOC2)c1	ZINC000755604167	668062711	/nfs/dbraw/zinc/06/27/11/668062711.db2.gz	OWPZRPUZXRUISI-QWHCGFSZSA-N	-1	0	315.329	0.850	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnc(O[C@@H]2CCOC2)c1	ZINC000755758893	668065792	/nfs/dbraw/zinc/06/57/92/668065792.db2.gz	MGMFNFIPIRSWOD-LLVKDONJSA-N	-1	0	312.347	0.495	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1([C@H]2CCCCO2)CCOCC1	ZINC000873514295	668087817	/nfs/dbraw/zinc/08/78/17/668087817.db2.gz	QPIDDAWRINGTNI-GFCCVEGCSA-N	-1	0	317.407	0.984	20	30		DCEDRM
COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000757329414	668125316	/nfs/dbraw/zinc/12/53/16/668125316.db2.gz	HJEYAYJZTMQAQN-UHFFFAOYSA-N	-1	0	303.365	0.173	20	30		DCEDRM
C#C[C@H](NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000874397717	668180299	/nfs/dbraw/zinc/18/02/99/668180299.db2.gz	APARMCHFQQGFDN-SLEUVZQESA-N	-1	0	310.350	0.300	20	30		DCEDRM
C#CCn1ccc(CN(CC)C(=O)NCCOCC(=O)[O-])n1	ZINC000874409246	668181633	/nfs/dbraw/zinc/18/16/33/668181633.db2.gz	XQJKVAYBMIJPKK-UHFFFAOYSA-N	-1	0	308.338	0.149	20	30		DCEDRM
N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000761124641	668307593	/nfs/dbraw/zinc/30/75/93/668307593.db2.gz	LWUBEDDSAZFBMP-GFCCVEGCSA-N	-1	0	322.386	0.778	20	30		DCEDRM
N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000761125162	668307636	/nfs/dbraw/zinc/30/76/36/668307636.db2.gz	LWUBEDDSAZFBMP-LBPRGKRZSA-N	-1	0	322.386	0.778	20	30		DCEDRM
Cc1cn2ccnc(C(=O)[N-]S(=O)(=O)CCCC#N)c2n1	ZINC000764051997	668432848	/nfs/dbraw/zinc/43/28/48/668432848.db2.gz	JEZMNZDXYCRUOH-UHFFFAOYSA-N	-1	0	307.335	0.401	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)c2coc(S(N)(=O)=O)c2)c1	ZINC000764485921	668449617	/nfs/dbraw/zinc/44/96/17/668449617.db2.gz	PGHISLODHVYGJC-UHFFFAOYSA-N	-1	0	307.287	0.757	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(Cl)n1	ZINC000766840581	668547954	/nfs/dbraw/zinc/54/79/54/668547954.db2.gz	KCGACKVCLXOGMH-MRVPVSSYSA-N	-1	0	311.725	0.829	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@]1(C)CCOC1	ZINC000766988947	668556206	/nfs/dbraw/zinc/55/62/06/668556206.db2.gz	UDLSACZTQPDOTN-CQSZACIVSA-N	-1	0	324.358	0.798	20	30		DCEDRM
Cn1nc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1OC(F)F	ZINC000767958222	668593151	/nfs/dbraw/zinc/59/31/51/668593151.db2.gz	CIRNVTCTTVPTDO-QMMMGPOBSA-N	-1	0	312.276	0.966	20	30		DCEDRM
C=CCCC[C@H](NC(=O)NCCO[C@@H]1CCOC1)C(=O)[O-]	ZINC000929017352	668645127	/nfs/dbraw/zinc/64/51/27/668645127.db2.gz	QSOKWLPAXKFWBC-NEPJUHHUSA-N	-1	0	300.355	0.901	20	30		DCEDRM
C=CCCC[C@H](NC(=O)N[C@H](C)[C@@H]1CN(C)CCO1)C(=O)[O-]	ZINC000929050890	668647651	/nfs/dbraw/zinc/64/76/51/668647651.db2.gz	TWTNMQDOCGYDKD-AGIUHOORSA-N	-1	0	313.398	0.814	20	30		DCEDRM
N#Cc1ccc(OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c(F)c1	ZINC000769740575	668659338	/nfs/dbraw/zinc/65/93/38/668659338.db2.gz	RNKOYCHSUSDZEA-UHFFFAOYSA-N	-1	0	313.248	0.688	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCNC(=O)C(C)(C)C	ZINC000770730043	668710118	/nfs/dbraw/zinc/71/01/18/668710118.db2.gz	HYSGORAJMZTQNH-JTQLQIEISA-N	-1	0	304.350	0.864	20	30		DCEDRM
COC(=O)N(C)CCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770862366	668720721	/nfs/dbraw/zinc/72/07/21/668720721.db2.gz	MGUGVOZEFVUJQN-JTQLQIEISA-N	-1	0	306.322	0.790	20	30		DCEDRM
CC(C)CN1C[C@@H](C(=O)C(C#N)=C([O-])c2nccn2C)CC1=O	ZINC000770868734	668720838	/nfs/dbraw/zinc/72/08/38/668720838.db2.gz	OTFUUAJDWRPCIH-NWDGAFQWSA-N	-1	0	316.361	0.816	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(c1)OCC(=O)N2	ZINC000770862512	668721048	/nfs/dbraw/zinc/72/10/48/668721048.db2.gz	NTHPQAGRDHATRE-SNVBAGLBSA-N	-1	0	324.296	0.956	20	30		DCEDRM
COC(=O)C1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000771078808	668730149	/nfs/dbraw/zinc/73/01/49/668730149.db2.gz	UFOJFUPVSXMHCF-UHFFFAOYSA-N	-1	0	300.336	0.079	20	30		DCEDRM
CNC(=O)C1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCC1	ZINC000771078698	668730207	/nfs/dbraw/zinc/73/02/07/668730207.db2.gz	RJFHQEDLZKKNOY-UHFFFAOYSA-N	-1	0	313.379	0.043	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000772717123	668782332	/nfs/dbraw/zinc/78/23/32/668782332.db2.gz	CYRWFFJPXWBVBZ-UHFFFAOYSA-N	-1	0	300.292	0.849	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)ccc1C	ZINC000772720483	668782643	/nfs/dbraw/zinc/78/26/43/668782643.db2.gz	NFFWNZPNLFJTBL-UHFFFAOYSA-N	-1	0	317.388	0.644	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)COc1ccc2c(c1)CCC(=O)N2	ZINC000772720504	668782667	/nfs/dbraw/zinc/78/26/67/668782667.db2.gz	NRSINVCPOSGQNG-UHFFFAOYSA-N	-1	0	324.358	0.582	20	30		DCEDRM
Cn1nccc1CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000774214215	668826896	/nfs/dbraw/zinc/82/68/96/668826896.db2.gz	RVIREJWTYOJPSL-UHFFFAOYSA-N	-1	0	324.406	0.883	20	30		DCEDRM
COC(=O)[C@@H](C)n1cccc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC000774573823	668838637	/nfs/dbraw/zinc/83/86/37/668838637.db2.gz	PMXRSFLFYIYNNM-SECBINFHSA-N	-1	0	321.362	0.653	20	30		DCEDRM
CC(C)CN1C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)CC1=O	ZINC000776122450	668871174	/nfs/dbraw/zinc/87/11/74/668871174.db2.gz	QRVLBANOFJCOMO-NSHDSACASA-N	-1	0	315.395	0.241	20	30		DCEDRM
CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122350	668871195	/nfs/dbraw/zinc/87/11/95/668871195.db2.gz	FVGOAFFDRVPMRD-UHFFFAOYSA-N	-1	0	303.384	0.289	20	30		DCEDRM
Cc1nn(C)c(C)c1[C@@H](C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776119140	668871239	/nfs/dbraw/zinc/87/12/39/668871239.db2.gz	FNYZVZQQJIMNNR-SECBINFHSA-N	-1	0	312.395	0.890	20	30		DCEDRM
C[C@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122641	668871475	/nfs/dbraw/zinc/87/14/75/668871475.db2.gz	SNMLHXSLINYYSQ-RYUDHWBXSA-N	-1	0	318.395	0.710	20	30		DCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2	ZINC000776130014	668871501	/nfs/dbraw/zinc/87/15/01/668871501.db2.gz	HJFSTJFMXWBJBO-UHFFFAOYSA-N	-1	0	309.343	0.562	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-]	ZINC000776597256	668879051	/nfs/dbraw/zinc/87/90/51/668879051.db2.gz	NZFGKMRBZBSQGP-SSDOTTSWSA-N	-1	0	307.759	0.771	20	30		DCEDRM
CCOc1cnc(C([O-])=C(C#N)C(=O)NCCCOC)cn1	ZINC000778604938	668901697	/nfs/dbraw/zinc/90/16/97/668901697.db2.gz	NSCOHPSKAYITCI-JTQLQIEISA-N	-1	0	306.322	0.350	20	30		DCEDRM
CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779316015	668909512	/nfs/dbraw/zinc/90/95/12/668909512.db2.gz	KOUNKBNUSTTWLS-SECBINFHSA-N	-1	0	301.368	0.041	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1	ZINC000780336029	668979470	/nfs/dbraw/zinc/97/94/70/668979470.db2.gz	ALTKVPKYJGUQRY-MGPQQGTHSA-N	-1	0	320.370	0.929	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)NC2(c3nnn[n-]3)CCCC2)cc1	ZINC000780944495	669021828	/nfs/dbraw/zinc/02/18/28/669021828.db2.gz	BMCKQUBINJPOQP-GFCCVEGCSA-N	-1	0	312.333	0.690	20	30		DCEDRM
Cc1cc(C(=O)[N-]N2CN=NC2=O)nn1-c1cccc(C#N)c1	ZINC000782124378	669080517	/nfs/dbraw/zinc/08/05/17/669080517.db2.gz	PHZDPWXETZNIDO-UHFFFAOYSA-N	-1	0	309.289	0.733	20	30		DCEDRM
Cc1nnc(NN=Cc2cc(Br)nn2C)[n-]c1=O	ZINC000782150307	669082899	/nfs/dbraw/zinc/08/28/99/669082899.db2.gz	QBSNKIUDCICEQK-UHFFFAOYSA-N	-1	0	312.131	0.828	20	30		DCEDRM
Cn1ccc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)n1	ZINC000782646791	669114597	/nfs/dbraw/zinc/11/45/97/669114597.db2.gz	SRJCDQKHYVWZHX-UHFFFAOYSA-N	-1	0	310.379	0.493	20	30		DCEDRM
C[C@H]1OCC[C@H]1C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000784494078	669207784	/nfs/dbraw/zinc/20/77/84/669207784.db2.gz	MEODCQFZKIWUCF-LDYMZIIASA-N	-1	0	302.290	0.775	20	30		DCEDRM
C#CCOCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000784597520	669213583	/nfs/dbraw/zinc/21/35/83/669213583.db2.gz	BPOQGSULUDSFKJ-UHFFFAOYSA-N	-1	0	302.290	0.124	20	30		DCEDRM
CC(=O)N[C@H](CC1CCC1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000786478926	669314295	/nfs/dbraw/zinc/31/42/95/669314295.db2.gz	LEFDEXHDVOYYPT-GFCCVEGCSA-N	-1	0	315.395	0.431	20	30		DCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000786765847	669328704	/nfs/dbraw/zinc/32/87/04/669328704.db2.gz	UDQDGLZCJORIDE-BDAKNGLRSA-N	-1	0	324.299	0.923	20	30		DCEDRM
COc1nc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc(=O)[n-]1	ZINC000787799839	669402902	/nfs/dbraw/zinc/40/29/02/669402902.db2.gz	ZYWOKOKSJKHGSX-QMMMGPOBSA-N	-1	0	320.305	0.299	20	30		DCEDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2cnn(CC#N)c2)c1	ZINC000788490588	669442817	/nfs/dbraw/zinc/44/28/17/669442817.db2.gz	DLIJFROPKKMGAC-UHFFFAOYSA-N	-1	0	321.318	0.389	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(C[S@@](C)=O)c1	ZINC000791107430	669593495	/nfs/dbraw/zinc/59/34/95/669593495.db2.gz	FORNSDUPCIXTRG-LJQANCHMSA-N	-1	0	313.400	0.648	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]1CCCCO1	ZINC000791109595	669594230	/nfs/dbraw/zinc/59/42/30/669594230.db2.gz	SIPRKFSKKTUFPL-VXGBXAGGSA-N	-1	0	303.380	0.430	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccn(CC(F)F)n2)CC1	ZINC000793204848	669707257	/nfs/dbraw/zinc/70/72/57/669707257.db2.gz	MBONMLYTCZJKGQ-UHFFFAOYSA-N	-1	0	318.305	0.512	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnc3nccnc3c2)CC1	ZINC000793212699	669708323	/nfs/dbraw/zinc/70/83/23/669708323.db2.gz	SGWOZVRBKGOLHN-UHFFFAOYSA-N	-1	0	317.330	0.388	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnn2c1OCCC2	ZINC000796739988	669941613	/nfs/dbraw/zinc/94/16/13/669941613.db2.gz	IJRDSZFYVCZLDE-LLVKDONJSA-N	-1	0	320.349	0.531	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1CCC(NC(=O)C2CC2)CC1	ZINC000796794197	669943207	/nfs/dbraw/zinc/94/32/07/669943207.db2.gz	ZLZMNCBJPJZVGP-UHFFFAOYSA-N	-1	0	314.407	0.703	20	30		DCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)nnn1C(C)C	ZINC000797033088	669953674	/nfs/dbraw/zinc/95/36/74/669953674.db2.gz	YWDUBOLJSUMWDH-UHFFFAOYSA-N	-1	0	313.383	0.777	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1	ZINC000797726590	669974011	/nfs/dbraw/zinc/97/40/11/669974011.db2.gz	JZFDVLGGELZAFZ-QWRGUYRKSA-N	-1	0	318.395	0.624	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000797816143	669976925	/nfs/dbraw/zinc/97/69/25/669976925.db2.gz	IBBZBDNCDIRFGB-SKDRFNHKSA-N	-1	0	314.363	0.972	20	30		DCEDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797949577	669981807	/nfs/dbraw/zinc/98/18/07/669981807.db2.gz	XMSYULCYUAWOSU-UHFFFAOYSA-N	-1	0	314.319	0.473	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(OC)c(OC)c1	ZINC000798203449	669991929	/nfs/dbraw/zinc/99/19/29/669991929.db2.gz	ZRRRMNQEFDFAMU-UHFFFAOYSA-N	-1	0	311.359	0.716	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000799075694	670037386	/nfs/dbraw/zinc/03/73/86/670037386.db2.gz	MVALGCAQVHCATJ-JTQLQIEISA-N	-1	0	305.359	0.885	20	30		DCEDRM
C#CCC[C@@H](O)CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000799199691	670048282	/nfs/dbraw/zinc/04/82/82/670048282.db2.gz	CDDDFTFUHGSKPD-GFCCVEGCSA-N	-1	0	301.302	0.534	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC	ZINC000802157496	670153773	/nfs/dbraw/zinc/15/37/73/670153773.db2.gz	FXNIMYVPPRIZEZ-WDEREUQCSA-N	-1	0	303.380	0.824	20	30		DCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)ccn1	ZINC000803012678	670233434	/nfs/dbraw/zinc/23/34/34/670233434.db2.gz	LHMQCJYCCKEGAP-JTQLQIEISA-N	-1	0	309.347	0.439	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-n2cnnn2)cc1	ZINC000193354151	670269254	/nfs/dbraw/zinc/26/92/54/670269254.db2.gz	VNQNYNJNZQOPQD-CYBMUJFWSA-N	-1	0	310.317	0.607	20	30		DCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2cn3c(n2)CCCC3)nn1	ZINC000806564162	670321699	/nfs/dbraw/zinc/32/16/99/670321699.db2.gz	KUWMSQZZMUPEEL-SNAWJCMRSA-N	-1	0	301.306	0.792	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000951712346	670345213	/nfs/dbraw/zinc/34/52/13/670345213.db2.gz	WDMHIDJZUFEHNI-AAEUAGOBSA-N	-1	0	321.381	0.136	20	30		DCEDRM
Cc1csc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1C#N	ZINC000809002431	670434773	/nfs/dbraw/zinc/43/47/73/670434773.db2.gz	DVWQPJKDPLZVAQ-UHFFFAOYSA-N	-1	0	314.330	0.952	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCO2	ZINC000810528900	670488716	/nfs/dbraw/zinc/48/87/16/670488716.db2.gz	YFERNZLGUJCBMM-SNVBAGLBSA-N	-1	0	306.322	0.141	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)CCCC1	ZINC000810662041	670492874	/nfs/dbraw/zinc/49/28/74/670492874.db2.gz	YCSOPLSPMVZKFE-UHFFFAOYSA-N	-1	0	324.362	0.419	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC	ZINC000810681527	670493377	/nfs/dbraw/zinc/49/33/77/670493377.db2.gz	JYRYWJOHTBCCAY-ZJUUUORDSA-N	-1	0	303.380	0.680	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CCn2cccn2)c1	ZINC000195495609	670495688	/nfs/dbraw/zinc/49/56/88/670495688.db2.gz	UNDSEIBCWSHBPO-UHFFFAOYSA-N	-1	0	318.358	0.791	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CNC(=O)CCC1CCCC1	ZINC000810773012	670496524	/nfs/dbraw/zinc/49/65/24/670496524.db2.gz	NZFHJDUKIGPBOM-UHFFFAOYSA-N	-1	0	314.407	0.542	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-c2ncn(C)n2)cc1	ZINC000810777328	670497128	/nfs/dbraw/zinc/49/71/28/670497128.db2.gz	DYPOMRXKRWKBHR-UHFFFAOYSA-N	-1	0	318.358	0.565	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cc(C(C)=O)ccc1OC	ZINC000810777107	670497192	/nfs/dbraw/zinc/49/71/92/670497192.db2.gz	AGHCOKDTWRUTPU-UHFFFAOYSA-N	-1	0	323.370	0.910	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](CCCC)NC(=O)NCC	ZINC000810776744	670497230	/nfs/dbraw/zinc/49/72/30/670497230.db2.gz	GVYFEZKKZCQWEX-LLVKDONJSA-N	-1	0	317.411	0.334	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(NC)c([N+](=O)[O-])c1	ZINC000810780642	670497384	/nfs/dbraw/zinc/49/73/84/670497384.db2.gz	LBGKZBWMQJZVSG-UHFFFAOYSA-N	-1	0	311.319	0.719	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc2cnn(CC)c2nc1C	ZINC000810779780	670497437	/nfs/dbraw/zinc/49/74/37/670497437.db2.gz	AJJYTZOPYSTKSB-UHFFFAOYSA-N	-1	0	320.374	0.843	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1C(=O)C(C)C	ZINC000810779702	670497586	/nfs/dbraw/zinc/49/75/86/670497586.db2.gz	YAJPLCFRPLNLAY-LBPRGKRZSA-N	-1	0	314.407	0.493	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC000810786500	670498109	/nfs/dbraw/zinc/49/81/09/670498109.db2.gz	LJUXZBNIYMYOLI-SNVBAGLBSA-N	-1	0	300.380	0.103	20	30		DCEDRM
COC(=O)c1cc(/C=C/C(=O)c2cnc([O-])n(C)c2=O)cn1C	ZINC000811693757	670541793	/nfs/dbraw/zinc/54/17/93/670541793.db2.gz	PLYGGHNWWUHDJE-SNAWJCMRSA-N	-1	0	317.301	0.507	20	30		DCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnc(N(C)C)cn1	ZINC000847621460	670583203	/nfs/dbraw/zinc/58/32/03/670583203.db2.gz	MOUWYIGMLGADJC-NSHDSACASA-N	-1	0	319.365	0.408	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1)OCC	ZINC000847845911	670605223	/nfs/dbraw/zinc/60/52/23/670605223.db2.gz	DPYDNPSHPKJQRL-GFCCVEGCSA-N	-1	0	315.395	0.737	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ncccn2)cc1	ZINC000813056604	670607952	/nfs/dbraw/zinc/60/79/52/670607952.db2.gz	FTHNYZSKAJPOMR-UHFFFAOYSA-N	-1	0	316.342	0.786	20	30		DCEDRM
C#C[C@H](CO)NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O	ZINC000854767496	670626859	/nfs/dbraw/zinc/62/68/59/670626859.db2.gz	XJCLAHURWVUARN-SNVBAGLBSA-N	-1	0	317.370	0.429	20	30		DCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CCOCC1	ZINC000813981467	670667731	/nfs/dbraw/zinc/66/77/31/670667731.db2.gz	BVROHWSMNDAFBM-JTQLQIEISA-N	-1	0	323.374	0.821	20	30		DCEDRM
Cn1ncc(C(=O)[O-])c1C=NN1C(=O)NC2(CCCCC2)C1=O	ZINC000848402647	670678655	/nfs/dbraw/zinc/67/86/55/670678655.db2.gz	HUORYPUZDPUHPR-UHFFFAOYSA-N	-1	0	319.321	0.707	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cc(O)c(O)c(Br)c1	ZINC000814231067	670681832	/nfs/dbraw/zinc/68/18/32/670681832.db2.gz	KGFHFRLGCAOPOY-UHFFFAOYSA-N	-1	0	315.083	0.745	20	30		DCEDRM
C=CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1ccncc1	ZINC000848608036	670704209	/nfs/dbraw/zinc/70/42/09/670704209.db2.gz	ONODSCYNKKAPLG-ZYHUDNBSSA-N	-1	0	305.334	0.652	20	30		DCEDRM
C=CC[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1ccncc1	ZINC000848608033	670704345	/nfs/dbraw/zinc/70/43/45/670704345.db2.gz	ONODSCYNKKAPLG-CMPLNLGQSA-N	-1	0	305.334	0.652	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000814844653	670705122	/nfs/dbraw/zinc/70/51/22/670705122.db2.gz	MYWWBBNMFYWFKF-APPZFPTMSA-N	-1	0	300.384	0.073	20	30		DCEDRM
CS(=O)(=O)CCNN=C1CCc2cccc(C(=O)[O-])c2C1	ZINC000814848980	670706009	/nfs/dbraw/zinc/70/60/09/670706009.db2.gz	BIHOGVCGGSFVKU-UHFFFAOYSA-N	-1	0	310.375	0.864	20	30		DCEDRM
NS(=O)(=O)c1ccccc1NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814916249	670708259	/nfs/dbraw/zinc/70/82/59/670708259.db2.gz	DOEGOMOCFMPJQP-UHFFFAOYSA-N	-1	0	308.319	0.806	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000849218992	670765960	/nfs/dbraw/zinc/76/59/60/670765960.db2.gz	DQDLZWNZMDBDTM-UHFFFAOYSA-N	-1	0	318.332	0.673	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)N(C)CCC2	ZINC000849219517	670765981	/nfs/dbraw/zinc/76/59/81/670765981.db2.gz	ZOSBUDAEXQAFID-UHFFFAOYSA-N	-1	0	322.386	0.778	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(CC)nn(C)c1CC	ZINC000849219104	670766010	/nfs/dbraw/zinc/76/60/10/670766010.db2.gz	HDVZTNBMAHAFHB-UHFFFAOYSA-N	-1	0	313.379	0.253	20	30		DCEDRM
CCn1nncc1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000815930708	670773137	/nfs/dbraw/zinc/77/31/37/670773137.db2.gz	YBWXSQLCNNPCKJ-UHFFFAOYSA-N	-1	0	319.346	0.429	20	30		DCEDRM
C=CCCO[N-]C(=O)CNS(=O)(=O)c1cccc(F)c1	ZINC000856028283	670777138	/nfs/dbraw/zinc/77/71/38/670777138.db2.gz	FIOOSBBAVKEOJG-UHFFFAOYSA-N	-1	0	302.327	0.728	20	30		DCEDRM
CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000816015038	670779318	/nfs/dbraw/zinc/77/93/18/670779318.db2.gz	WNSLNAYCOANIPI-GHMZBOCLSA-N	-1	0	300.380	0.941	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)CC1	ZINC000816034836	670782220	/nfs/dbraw/zinc/78/22/20/670782220.db2.gz	RIWNUDBCWQTLMW-UHFFFAOYSA-N	-1	0	308.363	0.792	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000816056583	670783957	/nfs/dbraw/zinc/78/39/57/670783957.db2.gz	YDOKUZASBILSDB-UHFFFAOYSA-N	-1	0	305.359	0.707	20	30		DCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC	ZINC000816090433	670785259	/nfs/dbraw/zinc/78/52/59/670785259.db2.gz	JSIRCZRIKJHAEK-UHFFFAOYSA-N	-1	0	313.322	0.843	20	30		DCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N	ZINC000816131027	670789250	/nfs/dbraw/zinc/78/92/50/670789250.db2.gz	HMHHGJPPGYLLQH-UHFFFAOYSA-N	-1	0	322.302	0.965	20	30		DCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC000816204689	670791719	/nfs/dbraw/zinc/79/17/19/670791719.db2.gz	OVMPEBXEDBCNHU-UHFFFAOYSA-N	-1	0	311.363	0.520	20	30		DCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC000816202509	670791720	/nfs/dbraw/zinc/79/17/20/670791720.db2.gz	VKENRZRSBWNMGK-UHFFFAOYSA-N	-1	0	311.363	0.664	20	30		DCEDRM
C#CC[C@@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccccc1	ZINC000817111026	670895702	/nfs/dbraw/zinc/89/57/02/670895702.db2.gz	RFZVVYKDZAXNLP-UONOGXRCSA-N	-1	0	314.341	0.800	20	30		DCEDRM
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)[N-]OCCOC	ZINC000817856567	670948602	/nfs/dbraw/zinc/94/86/02/670948602.db2.gz	YHHSKSILQSSFTD-CQSZACIVSA-N	-1	0	306.362	0.984	20	30		DCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cccc(S(N)(=O)=O)c2C#N)C1	ZINC000817864751	670949252	/nfs/dbraw/zinc/94/92/52/670949252.db2.gz	DDPMJKAULKGPQC-NXEZZACHSA-N	-1	0	323.374	0.753	20	30		DCEDRM
C#CCSCCNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000817891833	670951066	/nfs/dbraw/zinc/95/10/66/670951066.db2.gz	OGLVXONHEFIGII-GHMZBOCLSA-N	-1	0	312.391	0.038	20	30		DCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CCOCC1	ZINC000850934611	670955930	/nfs/dbraw/zinc/95/59/30/670955930.db2.gz	WUMFKRBXBRIVOD-NSHDSACASA-N	-1	0	316.379	0.322	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000850933840	670955936	/nfs/dbraw/zinc/95/59/36/670955936.db2.gz	JVBVRDMOUYIQAP-NWDGAFQWSA-N	-1	0	318.395	0.082	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1	ZINC000851000167	670960270	/nfs/dbraw/zinc/96/02/70/670960270.db2.gz	QJGNASBEDRBBCS-NSHDSACASA-N	-1	0	315.391	0.824	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cc(OC)ns1	ZINC000851437818	670988609	/nfs/dbraw/zinc/98/86/09/670988609.db2.gz	UUHXYUJPGNZYAI-QMMMGPOBSA-N	-1	0	318.376	0.136	20	30		DCEDRM
C#CCN(C(=O)C(=O)NCC1(C(=O)[O-])CCC1)C1CCCC1	ZINC000851687605	671014336	/nfs/dbraw/zinc/01/43/36/671014336.db2.gz	WFAMZYQMIYSVTD-UHFFFAOYSA-N	-1	0	306.362	0.762	20	30		DCEDRM
C#CCSCC[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000859010089	671063239	/nfs/dbraw/zinc/06/32/39/671063239.db2.gz	SSMQTLWTGCGRDG-UHFFFAOYSA-N	-1	0	304.349	0.106	20	30		DCEDRM
N#CCn1c(CN2CC[C@@H](C(=O)[O-])C2)nc2ccccc2c1=O	ZINC000819090816	671094063	/nfs/dbraw/zinc/09/40/63/671094063.db2.gz	DQLABMYRHWOYQA-LLVKDONJSA-N	-1	0	312.329	0.827	20	30		DCEDRM
Cc1nc(C2CC2)[nH]c(=S)c1C(=O)N[C@@H]1CCN(O)C1=O	ZINC000820149670	671172276	/nfs/dbraw/zinc/17/22/76/671172276.db2.gz	QIUZMFHANYYEDC-MRVPVSSYSA-N	-1	0	308.363	0.671	20	30		DCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2c(cn1)OCCO2	ZINC000820318634	671191604	/nfs/dbraw/zinc/19/16/04/671191604.db2.gz	CLDUUUGAXJQZRK-SECBINFHSA-N	-1	0	312.285	0.792	20	30		DCEDRM
C=CCN(C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)[C@H](C)COC	ZINC000852915234	671193710	/nfs/dbraw/zinc/19/37/10/671193710.db2.gz	BTLDXIHHHNXLSY-ABAIWWIYSA-N	-1	0	312.366	0.359	20	30		DCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)nn1	ZINC000820563615	671210843	/nfs/dbraw/zinc/21/08/43/671210843.db2.gz	HVGFVPQJKOYCRM-SNVBAGLBSA-N	-1	0	314.367	0.093	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cn3c(n2)COCC3)CC1	ZINC000860771981	671237154	/nfs/dbraw/zinc/23/71/54/671237154.db2.gz	LJZHUJYRZPLROT-UHFFFAOYSA-N	-1	0	311.363	0.582	20	30		DCEDRM
COc1ccn2c(c1)ncc2C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821046657	671247745	/nfs/dbraw/zinc/24/77/45/671247745.db2.gz	FBFPUHMAIIJYTN-UHFFFAOYSA-N	-1	0	308.319	0.316	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000861015135	671259680	/nfs/dbraw/zinc/25/96/80/671259680.db2.gz	DFXDYWCBNQKBSF-SNVBAGLBSA-N	-1	0	324.333	0.682	20	30		DCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F	ZINC000824232957	671424198	/nfs/dbraw/zinc/42/41/98/671424198.db2.gz	NXKQZOILJLCASF-SFYZADRCSA-N	-1	0	301.286	0.833	20	30		DCEDRM
C[C@@H]1C[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CCO1	ZINC000824868080	671442658	/nfs/dbraw/zinc/44/26/58/671442658.db2.gz	SQLDCYTXIAFIEZ-RNFRBKRXSA-N	-1	0	302.298	0.215	20	30		DCEDRM
CN(C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N)c1ccccc1	ZINC000825820850	671472575	/nfs/dbraw/zinc/47/25/75/671472575.db2.gz	WRSVLTBQDCXNLT-UHFFFAOYSA-N	-1	0	308.305	0.598	20	30		DCEDRM
Cc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)cc1	ZINC000826291116	671482889	/nfs/dbraw/zinc/48/28/89/671482889.db2.gz	PYYMWLJVPUTFBP-UHFFFAOYSA-N	-1	0	308.305	0.882	20	30		DCEDRM
CCNC(=O)c1cccc(NC(=O)CN(CC#N)CC(=O)[O-])c1	ZINC000829803902	671590104	/nfs/dbraw/zinc/59/01/04/671590104.db2.gz	MFNNHPLAASYGPD-UHFFFAOYSA-N	-1	0	318.333	0.285	20	30		DCEDRM
C=C(CO)C(=O)N[C@@H](CC(C)C)c1nc(C(=O)OCC)n[nH]1	ZINC000834687457	671776418	/nfs/dbraw/zinc/77/64/18/671776418.db2.gz	SJEATFHOJIBFTL-JTQLQIEISA-N	-1	0	310.354	0.733	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1	ZINC000835156100	671789225	/nfs/dbraw/zinc/78/92/25/671789225.db2.gz	PTLJGUNWXHUZQS-MRVPVSSYSA-N	-1	0	302.739	0.578	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000835307605	671793031	/nfs/dbraw/zinc/79/30/31/671793031.db2.gz	MWADCOQYSKAEEN-SNVBAGLBSA-N	-1	0	322.342	0.410	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCN(c2ccccc2)C1	ZINC000835372384	671794758	/nfs/dbraw/zinc/79/47/58/671794758.db2.gz	SSWFRGJRSRAVLU-ZDUSSCGKSA-N	-1	0	306.387	0.982	20	30		DCEDRM
C[C@@H](Oc1ccccc1F)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835411397	671795889	/nfs/dbraw/zinc/79/58/89/671795889.db2.gz	JGHPLUAGLKXIQQ-SECBINFHSA-N	-1	0	300.311	0.953	20	30		DCEDRM
CCOc1ccc(OCC(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000835411198	671795990	/nfs/dbraw/zinc/79/59/90/671795990.db2.gz	GBCSRSPBJSLKSS-UHFFFAOYSA-N	-1	0	312.347	0.824	20	30		DCEDRM
COCCOc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000835412707	671796050	/nfs/dbraw/zinc/79/60/50/671796050.db2.gz	VQVAEFPBQBBRCK-UHFFFAOYSA-N	-1	0	312.347	0.685	20	30		DCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)n1cnc(C#N)n1	ZINC000835740487	671804291	/nfs/dbraw/zinc/80/42/91/671804291.db2.gz	LZEJLUCFAJVSKM-ZRUFSTJUSA-N	-1	0	323.378	0.345	20	30		DCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)CCOC(C)(C)C	ZINC000835918717	671809934	/nfs/dbraw/zinc/80/99/34/671809934.db2.gz	PWUAZHHFXFXXPA-UHFFFAOYSA-N	-1	0	313.379	0.771	20	30		DCEDRM
C=CCO[N-]C(=O)C(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21	ZINC000835972192	671811527	/nfs/dbraw/zinc/81/15/27/671811527.db2.gz	ITZNQUSAYIPEMX-LBPRGKRZSA-N	-1	0	320.301	0.187	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2nc3c(s2)CCC3)CC1	ZINC000842334294	672006193	/nfs/dbraw/zinc/00/61/93/672006193.db2.gz	UIVBPWBPJLFGRA-UHFFFAOYSA-N	-1	0	311.388	0.995	20	30		DCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)nn1	ZINC000842762703	672034641	/nfs/dbraw/zinc/03/46/41/672034641.db2.gz	IDKXMZKSDYJENF-UHFFFAOYSA-N	-1	0	309.351	0.218	20	30		DCEDRM
C=CCC[C@@H](NS(=O)(=O)c1ccc(C)nn1)C(=O)OCC	ZINC000867362454	672191846	/nfs/dbraw/zinc/19/18/46/672191846.db2.gz	GWGOJIVDSZOVJA-LLVKDONJSA-N	-1	0	313.379	0.961	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000844782831	672202277	/nfs/dbraw/zinc/20/22/77/672202277.db2.gz	JLUMLTXUDQJMRH-QMMMGPOBSA-N	-1	0	313.335	0.839	20	30		DCEDRM
CC[C@H](C)C[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000844790180	672202943	/nfs/dbraw/zinc/20/29/43/672202943.db2.gz	WTKIBKVTEVBJBG-AXFHLTTASA-N	-1	0	305.400	0.944	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc2c1OCCCO2	ZINC000845441185	672248333	/nfs/dbraw/zinc/24/83/33/672248333.db2.gz	PMLJXVGXCIWWAZ-GFCCVEGCSA-N	-1	0	318.329	0.933	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(C)nn(CCOC)c1C	ZINC000846153180	672297888	/nfs/dbraw/zinc/29/78/88/672297888.db2.gz	HKCULNVKNXTMSQ-VIFPVBQESA-N	-1	0	310.354	0.707	20	30		DCEDRM
CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195154	685343801	/nfs/dbraw/zinc/34/38/01/685343801.db2.gz	GUKFWQVKXBMJDE-UHFFFAOYSA-N	-1	0	315.395	0.289	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@@H](OC)C1CC1	ZINC000796851884	685345926	/nfs/dbraw/zinc/34/59/26/685345926.db2.gz	VZECXYKLQIKAOB-ZDUSSCGKSA-N	-1	0	324.358	0.797	20	30		DCEDRM
C=C(Cl)CN1CC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O	ZINC001038581809	694121251	/nfs/dbraw/zinc/12/12/51/694121251.db2.gz	AQMDAVHRGGFNPG-VIFPVBQESA-N	-1	0	312.757	0.043	20	30		DCEDRM
N#Cc1cc(C(=O)NC2CC(C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)c[nH]1	ZINC000961739072	688717711	/nfs/dbraw/zinc/71/77/11/688717711.db2.gz	BKHBYUMVHKTHGM-UHFFFAOYSA-N	-1	0	315.337	0.008	20	30		DCEDRM
C=C1CC(C)(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001008465362	690872304	/nfs/dbraw/zinc/87/23/04/690872304.db2.gz	QTBHNOPNCSOXSV-NSHDSACASA-N	-1	0	305.382	0.947	20	30		DCEDRM
C=C(Cl)CN1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001015490068	692316464	/nfs/dbraw/zinc/31/64/64/692316464.db2.gz	ZDIMBWUVVFXMHF-VIFPVBQESA-N	-1	0	312.757	0.043	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC3(C2)CCN(C(=O)[C@@H](C)C#N)C3)c1[O-]	ZINC001018944797	693291032	/nfs/dbraw/zinc/29/10/32/693291032.db2.gz	BVYGPFJABNLDHU-VIFPVBQESA-N	-1	0	317.349	0.258	20	30		DCEDRM
CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCCN1C(=O)C#CC1CC1	ZINC001074012568	694811503	/nfs/dbraw/zinc/81/15/03/694811503.db2.gz	BCCVVMIGNIFXJQ-CYBMUJFWSA-N	-1	0	317.393	0.737	20	30		DCEDRM
C=C(C)CN1CCO[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21	ZINC001074218834	694842509	/nfs/dbraw/zinc/84/25/09/694842509.db2.gz	GCBJFKBKTQMIHU-STQMWFEESA-N	-1	0	320.393	0.915	20	30		DCEDRM
N#CCN1C[C@@H]2CCN(C(=O)c3ccc4oc(=O)nc-4[n-]3)[C@@H]2C1	ZINC001076457828	695024021	/nfs/dbraw/zinc/02/40/21/695024021.db2.gz	SLAUBIIXCTVYNA-GXSJLCMTSA-N	-1	0	313.317	0.598	20	30		DCEDRM
CC(C)C[C@@]1(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCNC1=O	ZINC001570861226	1162636233	/nfs/dbraw/zinc/63/62/33/1162636233.db2.gz	SFZGLKIBMOPDEN-AWEZNQCLSA-N	-1	0	300.322	0.644	20	30		DCEDRM
C#CCOCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001571767121	1162929774	/nfs/dbraw/zinc/92/97/74/1162929774.db2.gz	USKBMQVBPMIPBV-UWVGGRQHSA-N	-1	0	322.365	0.087	20	30		DCEDRM
C[C@H]1CCC[C@@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001448311162	1159731396	/nfs/dbraw/zinc/73/13/96/1159731396.db2.gz	XUCQBUULPBTKQT-WDEREUQCSA-N	-1	0	304.350	0.763	20	30		DCEDRM
C#CCN1CC[C@H]1CN(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001565836016	1159905293	/nfs/dbraw/zinc/90/52/93/1159905293.db2.gz	ZIBCWTVWHSUFGW-JTQLQIEISA-N	-1	0	319.327	0.609	20	30		DCEDRM
C=CCOCC(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1	ZINC001566918001	1160183755	/nfs/dbraw/zinc/18/37/55/1160183755.db2.gz	INNRNFOJISICPL-LLVKDONJSA-N	-1	0	309.370	0.184	20	30		DCEDRM
C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCc1nnn[n-]1	ZINC001568894196	1160850432	/nfs/dbraw/zinc/85/04/32/1160850432.db2.gz	KPBISORZZVBBGA-UHFFFAOYSA-N	-1	0	305.338	0.823	20	30		DCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H]1CNCC#N	ZINC001569566471	1161151148	/nfs/dbraw/zinc/15/11/48/1161151148.db2.gz	LEPAQWWXVVYMJL-VIFPVBQESA-N	-1	0	320.315	0.548	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C(=O)[O-]	ZINC001573307039	1163412232	/nfs/dbraw/zinc/41/22/32/1163412232.db2.gz	GKRXUKQJMWWADR-YUMQZZPRSA-N	-1	0	312.775	0.026	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001573379878	1163419682	/nfs/dbraw/zinc/41/96/82/1163419682.db2.gz	ZYWVVVDZEUDIIB-FRRDWIJNSA-N	-1	0	312.366	0.587	20	30		DCEDRM
CC#CCCCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573385346	1163420287	/nfs/dbraw/zinc/42/02/87/1163420287.db2.gz	YSKBBUKDNUGKSH-LPWJVIDDSA-N	-1	0	306.362	0.664	20	30		DCEDRM
C[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C1(C(=O)[O-])CCOCC1	ZINC001573397718	1163424120	/nfs/dbraw/zinc/42/41/20/1163424120.db2.gz	AIADBTZBACRTLZ-VHSXEESVSA-N	-1	0	321.337	0.097	20	30		DCEDRM
C[C@H](NS(=O)(=O)CC1(CC#N)CC1)c1nc(C(=O)[O-])n[nH]1	ZINC001573580346	1163508826	/nfs/dbraw/zinc/50/88/26/1163508826.db2.gz	ZFRMIWBSXLTIIK-ZETCQYMHSA-N	-1	0	313.339	0.177	20	30		DCEDRM
C[C@@H](Nc1cnc(C#N)c(C#N)n1)C1(C(=O)[O-])CCOCC1	ZINC001573580288	1163509668	/nfs/dbraw/zinc/50/96/68/1163509668.db2.gz	YUYQOOUBMZPBEP-SECBINFHSA-N	-1	0	301.306	0.902	20	30		DCEDRM
COc1ncc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1C#N	ZINC001574053660	1163629982	/nfs/dbraw/zinc/62/99/82/1163629982.db2.gz	DEPVDPFPJOYQCP-JTQLQIEISA-N	-1	0	318.333	0.697	20	30		DCEDRM
COc1ncc(NC(=O)N2CCO[C@@](C)(C(=O)[O-])C2)cc1C#N	ZINC001574054027	1163630094	/nfs/dbraw/zinc/63/00/94/1163630094.db2.gz	JDFSVCWKQHJZMH-CQSZACIVSA-N	-1	0	320.305	0.669	20	30		DCEDRM
Cc1c(C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)cnn1CCC#N	ZINC001574113151	1163640148	/nfs/dbraw/zinc/64/01/48/1163640148.db2.gz	LUJPEIZVJNHOGD-CYBMUJFWSA-N	-1	0	320.349	0.715	20	30		DCEDRM
Cc1[nH]nc(S(=O)(=O)NCc2ccc(C#N)cn2)c1C(=O)[O-]	ZINC001574183157	1163654860	/nfs/dbraw/zinc/65/48/60/1163654860.db2.gz	YLLKKSUXFKYNTI-UHFFFAOYSA-N	-1	0	321.318	0.162	20	30		DCEDRM
N#C[C@]1(C(=O)Nc2cccn(CC(=O)[O-])c2=O)CCCOC1	ZINC001574242687	1163672339	/nfs/dbraw/zinc/67/23/39/1163672339.db2.gz	YKDCBUGURGSNCE-CQSZACIVSA-N	-1	0	305.290	0.192	20	30		DCEDRM
N#CCCn1ccc(NC(=O)N2C[C@@H](C(=O)[O-])C3(COC3)C2)n1	ZINC001574240954	1163672405	/nfs/dbraw/zinc/67/24/05/1163672405.db2.gz	BZWICGRKKFVQSW-JTQLQIEISA-N	-1	0	319.321	0.362	20	30		DCEDRM
N#CCc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO	ZINC001574241805	1163672418	/nfs/dbraw/zinc/67/24/18/1163672418.db2.gz	RRGSENSRRUWHAS-UONOGXRCSA-N	-1	0	317.345	0.382	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)cc1	ZINC001574245531	1163673079	/nfs/dbraw/zinc/67/30/79/1163673079.db2.gz	RBNRODRJHRDSCB-RQJABVFESA-N	-1	0	300.314	0.771	20	30		DCEDRM
N#Cc1ccc(NCC(=O)NCc2nc(C(=O)[O-])cs2)nc1	ZINC001574249581	1163674492	/nfs/dbraw/zinc/67/44/92/1163674492.db2.gz	JSFBZGVHPXLMFQ-UHFFFAOYSA-N	-1	0	317.330	0.836	20	30		DCEDRM
N#Cc1ccnc(C(=O)NCc2nc(CC(=O)[O-])cs2)c1	ZINC001574249092	1163675128	/nfs/dbraw/zinc/67/51/28/1163675128.db2.gz	RPXCOLPKJODBBX-UHFFFAOYSA-N	-1	0	302.315	0.967	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)c1	ZINC001574249975	1163675174	/nfs/dbraw/zinc/67/51/74/1163675174.db2.gz	PKMNVCDGAJEWGN-ZIAGYGMSSA-N	-1	0	311.297	0.870	20	30		DCEDRM
CC(C)OCc1noc(Cn2cnc(-c3nnn[n-]3)c2C#N)n1	ZINC001574341376	1163698644	/nfs/dbraw/zinc/69/86/44/1163698644.db2.gz	XGHWPYPZOAACGD-UHFFFAOYSA-N	-1	0	315.297	0.291	20	30		DCEDRM
CC[C@@H](C#N)C(=O)Nc1ccccc1-n1cnc(-c2nnn[n-]2)n1	ZINC001576484492	1164363512	/nfs/dbraw/zinc/36/35/12/1164363512.db2.gz	IQULFIOTXHUCTJ-VIFPVBQESA-N	-1	0	323.320	0.936	20	30		DCEDRM
COC(=O)CC(C)(C)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001579445036	1165312877	/nfs/dbraw/zinc/31/28/77/1165312877.db2.gz	AYNWHQURXJEDQZ-UHFFFAOYSA-N	-1	0	316.325	0.530	20	30		DCEDRM
N#Cc1nc(NC(=O)c2cc(-c3nn[nH]n3)ccc2F)[n-]c1C#N	ZINC001581879177	1165898310	/nfs/dbraw/zinc/89/83/10/1165898310.db2.gz	QMILGSMCGQYEPX-UHFFFAOYSA-N	-1	0	323.251	0.725	20	30		DCEDRM
N#Cc1ncc(N(CCO)Cc2ccccc2)nc1-c1nnn[n-]1	ZINC001581881029	1165899025	/nfs/dbraw/zinc/89/90/25/1165899025.db2.gz	FJJXYBBTYWHUTG-UHFFFAOYSA-N	-1	0	322.332	0.527	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2C[C@H]2C2CCOCC2)nc1-c1nnn[n-]1	ZINC001581883946	1165901005	/nfs/dbraw/zinc/90/10/05/1165901005.db2.gz	DKLVBJYKRDGYSV-VHSXEESVSA-N	-1	0	312.337	0.755	20	30		DCEDRM
C=CCN1C(=O)c2ccc(C(=O)N(C)c3nnn[n-]3)cc2C1=O	ZINC001586262124	1166489995	/nfs/dbraw/zinc/48/99/95/1166489995.db2.gz	HBIBLKJQSLNQCN-UHFFFAOYSA-N	-1	0	312.289	0.258	20	30		DCEDRM
C#C[C@H](CC)NC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O	ZINC001588326322	1166524117	/nfs/dbraw/zinc/52/41/17/1166524117.db2.gz	JLPOEEIZBWOGLM-SSDOTTSWSA-N	-1	0	318.362	0.831	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1	ZINC001588335274	1166531259	/nfs/dbraw/zinc/53/12/59/1166531259.db2.gz	GMGWIZZBTSNDHJ-GHMZBOCLSA-N	-1	0	314.353	0.281	20	30		DCEDRM
C#CCCCCNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001588345974	1166535540	/nfs/dbraw/zinc/53/55/40/1166535540.db2.gz	RIIBARMHWHEMSP-UHFFFAOYSA-N	-1	0	300.322	0.809	20	30		DCEDRM
C#CC[C@H](NC(=O)c1ccc(N2CCNC2=O)c(C)c1)C(=O)[O-]	ZINC001588414569	1166550860	/nfs/dbraw/zinc/55/08/60/1166550860.db2.gz	OGWNZKYIISUBNH-LBPRGKRZSA-N	-1	0	315.329	0.731	20	30		DCEDRM
C=CC[C@H]1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1	ZINC001588563920	1166563087	/nfs/dbraw/zinc/56/30/87/1166563087.db2.gz	FFDGQKDFOFOYKH-JTQLQIEISA-N	-1	0	320.378	0.848	20	30		DCEDRM
C=CCCC(C)(C)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC001588576356	1166565222	/nfs/dbraw/zinc/56/52/22/1166565222.db2.gz	NSIBGROSCYMMSY-UHFFFAOYSA-N	-1	0	304.358	0.567	20	30		DCEDRM
C=CCCC[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1	ZINC001588594115	1166569021	/nfs/dbraw/zinc/56/90/21/1166569021.db2.gz	LNXNGFFYUUVVEB-QMMMGPOBSA-N	-1	0	305.342	0.823	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(-c2nn[nH]n2)cn1	ZINC001588727741	1166581589	/nfs/dbraw/zinc/58/15/89/1166581589.db2.gz	HVEVCJHHDAUADX-ZJUUUORDSA-N	-1	0	301.310	0.727	20	30		DCEDRM
CC(C)C[C@@H](CCO)CNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589553328	1166666050	/nfs/dbraw/zinc/66/60/50/1166666050.db2.gz	WFRWINGRUVKXRX-SNVBAGLBSA-N	-1	0	316.369	0.985	20	30		DCEDRM
C[C@@H](CNc1cnc(C#N)c(-c2nnn[n-]2)n1)Cn1cccn1	ZINC001589878615	1166705833	/nfs/dbraw/zinc/70/58/33/1166705833.db2.gz	FLGYZISQNHBKSK-VIFPVBQESA-N	-1	0	310.325	0.473	20	30		DCEDRM
C[C@H](COCC1CC1)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001589884421	1166708269	/nfs/dbraw/zinc/70/82/69/1166708269.db2.gz	DKGREOSMTQCRQB-MRVPVSSYSA-N	-1	0	300.326	0.755	20	30		DCEDRM
CC1(C)C[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C(=O)O1	ZINC001590083210	1166768055	/nfs/dbraw/zinc/76/80/55/1166768055.db2.gz	BHRDTMLQGKNPNR-ZCFIWIBFSA-N	-1	0	300.282	0.034	20	30		DCEDRM
C[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H](C)S1	ZINC001590316383	1166859966	/nfs/dbraw/zinc/85/99/66/1166859966.db2.gz	LHKLSFVTYMVPEQ-YUMQZZPRSA-N	-1	0	302.367	0.859	20	30		DCEDRM
CCO[C@@H]1C[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)[C@@H]1OC	ZINC001590791276	1167020601	/nfs/dbraw/zinc/02/06/01/1167020601.db2.gz	MBNJHGOGWGEEFD-GMEUVTARSA-N	-1	0	316.325	0.133	20	30		DCEDRM
COC(=O)C(C)(C)C(=O)Cn1c(C)nc(-c2nnn[n-]2)c1C#N	ZINC001591225955	1167166677	/nfs/dbraw/zinc/16/66/77/1167166677.db2.gz	GLPQPYOCMNXIDS-UHFFFAOYSA-N	-1	0	317.309	0.012	20	30		DCEDRM
CO[C@@H]1CCC[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)C1	ZINC001591357189	1167231938	/nfs/dbraw/zinc/23/19/38/1167231938.db2.gz	VHVKFEMKNMXQMW-JGVFFNPUSA-N	-1	0	316.325	0.605	20	30		DCEDRM
COC[C@@](C)(C#N)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001591367641	1167240502	/nfs/dbraw/zinc/24/05/02/1167240502.db2.gz	CRGUNWNSVLSBGV-CYBMUJFWSA-N	-1	0	302.294	0.231	20	30		DCEDRM
COc1ncc(Cn2c(C)nc(C#N)c2-c2nn[nH]n2)c(C)n1	ZINC001591663623	1167343880	/nfs/dbraw/zinc/34/38/80/1167343880.db2.gz	VCTQSRXUQNEAHW-UHFFFAOYSA-N	-1	0	311.309	0.399	20	30		DCEDRM
C[C@@]12COC[C@]1(C)CN(c1cnc(C#N)c(-c3nnn[n-]3)n1)C2	ZINC001591781122	1167376361	/nfs/dbraw/zinc/37/63/61/1167376361.db2.gz	ZYFFOAGYPDUVIN-OKILXGFUSA-N	-1	0	312.337	0.391	20	30		DCEDRM
Cc1cc(-c2nn[nH]n2)cnc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC001591874409	1167405001	/nfs/dbraw/zinc/40/50/01/1167405001.db2.gz	UBQLAAZFLNRXJY-JTQLQIEISA-N	-1	0	313.321	0.417	20	30		DCEDRM
Cc1cc(C)n(N=Cc2cnc3n2CCC3)c(=O)c1-c1nnn[n-]1	ZINC001591956481	1167425452	/nfs/dbraw/zinc/42/54/52/1167425452.db2.gz	DKNZHLLYUCXYMT-UHFFFAOYSA-N	-1	0	324.348	0.670	20	30		DCEDRM
Cc1nn(Cc2ccc(C#N)cn2)c(=O)c(-c2nnn[n-]2)c1C	ZINC001592437455	1167523639	/nfs/dbraw/zinc/52/36/39/1167523639.db2.gz	HBRGDHFJNDTJRJ-UHFFFAOYSA-N	-1	0	308.305	0.355	20	30		DCEDRM
Cc1nnc([S-])n(N=Cc2ccc(-c3nn[nH]n3)cc2)c1=O	ZINC001592449925	1167526550	/nfs/dbraw/zinc/52/65/50/1167526550.db2.gz	SSAGLGUGGFHQEH-UHFFFAOYSA-N	-1	0	314.334	0.298	20	30		DCEDRM
N#CC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1	ZINC001592673448	1167595657	/nfs/dbraw/zinc/59/56/57/1167595657.db2.gz	FJHQJWANHGODKD-VIFPVBQESA-N	-1	0	322.350	0.774	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1C[C@@H]1CCC2(CCC2)CO1	ZINC001592681662	1167599147	/nfs/dbraw/zinc/59/91/47/1167599147.db2.gz	HABZSNMXEWAIPY-VIFPVBQESA-N	-1	0	314.353	0.866	20	30		DCEDRM
CO[N-]C(=O)CNC(=O)CCCC(=O)Nc1ccccc1C#N	ZINC001598520403	1168024069	/nfs/dbraw/zinc/02/40/69/1168024069.db2.gz	BXBHMJFXMINJMH-UHFFFAOYSA-N	-1	0	318.333	0.461	20	30		DCEDRM
COC(=O)CC[C@H](C(=O)OC)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001598849461	1168044736	/nfs/dbraw/zinc/04/47/36/1168044736.db2.gz	XYZGSIRIZKUYSV-SNVBAGLBSA-N	-1	0	312.322	0.172	20	30		DCEDRM
Cc1cc(C)cc(C(=O)NCC(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001600167497	1168128980	/nfs/dbraw/zinc/12/89/80/1168128980.db2.gz	GQRCFBNFXBDAJJ-UHFFFAOYSA-N	-1	0	317.345	0.860	20	30		DCEDRM
Cc1cc(N(C)CCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])c(C#N)cn1	ZINC001600235667	1168143148	/nfs/dbraw/zinc/14/31/48/1168143148.db2.gz	IZBWBPJBWDDYOM-QWHCGFSZSA-N	-1	0	316.361	0.925	20	30		DCEDRM
Cc1cncc(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1	ZINC001600627930	1168219513	/nfs/dbraw/zinc/21/95/13/1168219513.db2.gz	HBSFWEZXIKFASX-UHFFFAOYSA-N	-1	0	309.347	0.769	20	30		DCEDRM
Cc1nc(NCCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])ccc1C#N	ZINC001600715839	1168261720	/nfs/dbraw/zinc/26/17/20/1168261720.db2.gz	HFTFWAZEHDSKML-VXGBXAGGSA-N	-1	0	302.334	0.901	20	30		DCEDRM
Cc1onc(CC(=O)N(CCC(=O)[O-])C2CCOCC2)c1C#N	ZINC001600862848	1168490449	/nfs/dbraw/zinc/49/04/49/1168490449.db2.gz	JPKURRIJJJUZOU-UHFFFAOYSA-N	-1	0	321.333	0.880	20	30		DCEDRM
Cc1onc(CC(=O)N[C@]2(CC(=O)[O-])CCCOC2)c1C#N	ZINC001600863979	1168492877	/nfs/dbraw/zinc/49/28/77/1168492877.db2.gz	GELSHQCAEXIYCX-AWEZNQCLSA-N	-1	0	307.306	0.537	20	30		DCEDRM
Cn1c(C#N)ccc1C(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC001600899846	1168499995	/nfs/dbraw/zinc/49/99/95/1168499995.db2.gz	UPBAHXBSZPPUCJ-CMPLNLGQSA-N	-1	0	305.334	0.896	20	30		DCEDRM
Cn1c(C=NNCC(C)(C)S(C)(=O)=O)ccc1C(=O)[O-]	ZINC001600911040	1168505574	/nfs/dbraw/zinc/50/55/74/1168505574.db2.gz	CKWBUPHHJPPQHV-UHFFFAOYSA-N	-1	0	301.368	0.470	20	30		DCEDRM
Cn1c(Cn2cc(C(=O)[O-])cc(C#N)c2=O)nnc1C1CCC1	ZINC001600918199	1168507208	/nfs/dbraw/zinc/50/72/08/1168507208.db2.gz	ORRAMHHNZVBJIN-UHFFFAOYSA-N	-1	0	313.317	0.862	20	30		DCEDRM
Cn1ccc([C@@H](NC(=O)COc2ccc(C#N)cc2)C(=O)[O-])n1	ZINC001600989477	1168546964	/nfs/dbraw/zinc/54/69/64/1168546964.db2.gz	NFTGGQKBJJAZBH-CQSZACIVSA-N	-1	0	314.301	0.613	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)C2(C(=O)NC3CC3)CCC2)CC1	ZINC001601048802	1168577561	/nfs/dbraw/zinc/57/75/61/1168577561.db2.gz	JHANBEMGGYBVDX-UHFFFAOYSA-N	-1	0	319.361	0.652	20	30		DCEDRM
N#CC1(CC(=O)N[C@H](Cn2cncn2)C(=O)[O-])CCCCC1	ZINC001601054505	1168578086	/nfs/dbraw/zinc/57/80/86/1168578086.db2.gz	IRXKGSHIQSCFDX-LLVKDONJSA-N	-1	0	305.338	0.712	20	30		DCEDRM
N#C[C@@]1(F)CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1	ZINC001601057367	1168578164	/nfs/dbraw/zinc/57/81/64/1168578164.db2.gz	WFXKQPFXUKVDHQ-ZDUSSCGKSA-N	-1	0	312.322	0.940	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2CCSC[C@H]2C(=O)[O-])CCCC1	ZINC001601058664	1168578841	/nfs/dbraw/zinc/57/88/41/1168578841.db2.gz	WZDKHRLKZSBCMJ-JTQLQIEISA-N	-1	0	318.420	0.902	20	30		DCEDRM
N#CC1CCC(CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001601057936	1168578868	/nfs/dbraw/zinc/57/88/68/1168578868.db2.gz	FWMNIUMWVYURLJ-CAODYFQJSA-N	-1	0	307.350	0.412	20	30		DCEDRM
N#CCC1(CS(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CC1	ZINC001601062588	1168579838	/nfs/dbraw/zinc/57/98/38/1168579838.db2.gz	KRVSRJUARRRXOL-NSHDSACASA-N	-1	0	316.379	0.168	20	30		DCEDRM
N#CCCCCNC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001601065649	1168580081	/nfs/dbraw/zinc/58/00/81/1168580081.db2.gz	LMHYSCXQNVWBOL-HNNXBMFYSA-N	-1	0	324.381	0.251	20	30		DCEDRM
N#CCCN1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC1	ZINC001601067934	1168580379	/nfs/dbraw/zinc/58/03/79/1168580379.db2.gz	VFWXOAMQLIHQAB-UHFFFAOYSA-N	-1	0	301.346	0.985	20	30		DCEDRM
N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])n1	ZINC001601068455	1168580501	/nfs/dbraw/zinc/58/05/01/1168580501.db2.gz	AVOMTLBAZRZUCY-NXEZZACHSA-N	-1	0	319.321	0.105	20	30		DCEDRM
N#CCC[C@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1ccccc1	ZINC001601066128	1168580748	/nfs/dbraw/zinc/58/07/48/1168580748.db2.gz	DUNZUEZPMXDDMH-LBPRGKRZSA-N	-1	0	303.318	0.872	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@H]1Cc2ccccc2C(=O)O1	ZINC001601070974	1168580994	/nfs/dbraw/zinc/58/09/94/1168580994.db2.gz	NOTJILOEGCOHNM-GFCCVEGCSA-N	-1	0	302.286	0.595	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)CCNC(=O)Cc1ccccc1	ZINC001601070209	1168581049	/nfs/dbraw/zinc/58/10/49/1168581049.db2.gz	KNOWEQFMDXIAQH-UHFFFAOYSA-N	-1	0	317.345	0.562	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(-n2cc[nH]c2=O)cc1	ZINC001601070138	1168581075	/nfs/dbraw/zinc/58/10/75/1168581075.db2.gz	XOEQHYLQXMWGJE-UHFFFAOYSA-N	-1	0	300.274	0.628	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccc(Cn2ccnn2)cc1	ZINC001601072314	1168581482	/nfs/dbraw/zinc/58/14/82/1168581482.db2.gz	ROBNKNOBZLGFBU-UHFFFAOYSA-N	-1	0	313.317	0.767	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)CC[C@@H]1CCCCO1	ZINC001601072908	1168581881	/nfs/dbraw/zinc/58/18/81/1168581881.db2.gz	RZZNIQUHKDHPSS-NSHDSACASA-N	-1	0	304.368	0.576	20	30		DCEDRM
N#CCN1CCc2c(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])cccc2C1	ZINC001601074897	1168582438	/nfs/dbraw/zinc/58/24/38/1168582438.db2.gz	WAKWNBGVULVMAF-CABCVRRESA-N	-1	0	313.357	0.905	20	30		DCEDRM
N#CCN1CCc2c(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])cccc2C1	ZINC001601074900	1168582605	/nfs/dbraw/zinc/58/26/05/1168582605.db2.gz	WAKWNBGVULVMAF-LSDHHAIUSA-N	-1	0	313.357	0.905	20	30		DCEDRM
N#CCc1cccc(C(=O)NCCC(=O)NCCC(=O)[O-])c1	ZINC001601078179	1168582966	/nfs/dbraw/zinc/58/29/66/1168582966.db2.gz	XYPKRZXZRSOMHA-UHFFFAOYSA-N	-1	0	303.318	0.463	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)cc1	ZINC001601077867	1168583077	/nfs/dbraw/zinc/58/30/77/1168583077.db2.gz	OFXODUZGEYHTTM-UHFFFAOYSA-N	-1	0	324.358	0.257	20	30		DCEDRM
N#CCc1ccc(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)cc1	ZINC001601077932	1168583116	/nfs/dbraw/zinc/58/31/16/1168583116.db2.gz	RJXOCMQDFOJAFB-UHFFFAOYSA-N	-1	0	306.343	0.990	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)o1	ZINC001601092068	1168584237	/nfs/dbraw/zinc/58/42/37/1168584237.db2.gz	HSNHSRKKHNWNDD-MRVPVSSYSA-N	-1	0	301.262	0.528	20	30		DCEDRM
N#Cc1ccc(F)c(CNC(=O)Cn2ccc(C(=O)[O-])n2)c1	ZINC001601103002	1168585062	/nfs/dbraw/zinc/58/50/62/1168585062.db2.gz	WYHQYZGDGPLJOO-UHFFFAOYSA-N	-1	0	302.265	0.908	20	30		DCEDRM
N#Cc1ccc(Cn2cnc(NC(=O)COCC(=O)[O-])n2)cc1	ZINC001601103261	1168585335	/nfs/dbraw/zinc/58/53/35/1168585335.db2.gz	BKAVISJPLLYNDY-UHFFFAOYSA-N	-1	0	315.289	0.238	20	30		DCEDRM
N#Cc1ccc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC001601100928	1168585627	/nfs/dbraw/zinc/58/56/27/1168585627.db2.gz	REIPXORFEZVHDK-RYUDHWBXSA-N	-1	0	305.290	0.734	20	30		DCEDRM
N#Cc1ccc(N2CCN(Cn3cc(C(=O)[O-])nn3)CC2)cc1	ZINC001601105994	1168585693	/nfs/dbraw/zinc/58/56/93/1168585693.db2.gz	JYFBRTRQFJQUQR-UHFFFAOYSA-N	-1	0	312.333	0.628	20	30		DCEDRM
N#Cc1ccc(OC[C@H](O)Cn2ncc(C(=O)[O-])cc2=O)cc1	ZINC001601110374	1168586872	/nfs/dbraw/zinc/58/68/72/1168586872.db2.gz	VQUJIFOFGXBJIZ-GFCCVEGCSA-N	-1	0	315.285	0.253	20	30		DCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)C2	ZINC001601114389	1168587447	/nfs/dbraw/zinc/58/74/47/1168587447.db2.gz	RXNYJUHUJZTBNR-UONOGXRCSA-N	-1	0	315.329	0.520	20	30		DCEDRM
N#Cc1cccc([C@@H](Nc2ccn(CCC(N)=O)n2)C(=O)[O-])c1	ZINC001601118023	1168587734	/nfs/dbraw/zinc/58/77/34/1168587734.db2.gz	FSVAVLFMHOHCJX-CQSZACIVSA-N	-1	0	313.317	0.868	20	30		DCEDRM
N#Cc1cccc(N2CCN(Cc3cnc(C(=O)[O-])cn3)CC2)n1	ZINC001601121947	1168588329	/nfs/dbraw/zinc/58/83/29/1168588329.db2.gz	BRQCFTMLGDUFJF-UHFFFAOYSA-N	-1	0	324.344	0.764	20	30		DCEDRM
N#Cc1cccc(OCCN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1	ZINC001601123709	1168588864	/nfs/dbraw/zinc/58/88/64/1168588864.db2.gz	PVESLSAVKXSVBN-ZDUSSCGKSA-N	-1	0	324.358	0.121	20	30		DCEDRM
N#Cc1ccsc1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001601128125	1168589244	/nfs/dbraw/zinc/58/92/44/1168589244.db2.gz	BHVDQNXPZVLNRC-VIFPVBQESA-N	-1	0	317.330	0.997	20	30		DCEDRM
N#Cc1ccnc(N2CCC([C@@H](O)C(=O)[O-])CC2)c1[N+](=O)[O-]	ZINC001601127632	1168589743	/nfs/dbraw/zinc/58/97/43/1168589743.db2.gz	SOQACJCJBOTCPF-LLVKDONJSA-N	-1	0	306.278	0.523	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)NC1CC(CC(=O)[O-])C1	ZINC001601128591	1168589766	/nfs/dbraw/zinc/58/97/66/1168589766.db2.gz	SQKHDAFMUJKVON-UHFFFAOYSA-N	-1	0	317.349	0.918	20	30		DCEDRM
N#Cc1cncc(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)c1	ZINC001601130999	1168590812	/nfs/dbraw/zinc/59/08/12/1168590812.db2.gz	QHZUKMBOYODUAE-UHFFFAOYSA-N	-1	0	307.287	0.723	20	30		DCEDRM
N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1	ZINC001601130412	1168590910	/nfs/dbraw/zinc/59/09/10/1168590910.db2.gz	OMVAVLQKDWQFQK-QSFUFRPTSA-N	-1	0	315.333	0.376	20	30		DCEDRM
N#Cc1ncn(CC(=O)NC2(CCC(=O)[O-])CCCCC2)n1	ZINC001601135180	1168592433	/nfs/dbraw/zinc/59/24/33/1168592433.db2.gz	KAEOHXQSUHVQSK-UHFFFAOYSA-N	-1	0	305.338	0.834	20	30		DCEDRM
O=C([O-])c1cnc(N2CC[C@@H](NC(=O)C#CC3CC3)C2)nc1	ZINC001601224203	1168666568	/nfs/dbraw/zinc/66/65/68/1168666568.db2.gz	RJYHEISNDXDRRQ-GFCCVEGCSA-N	-1	0	300.318	0.283	20	30		DCEDRM
O=C([O-])[C@@]1(O)CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)C1	ZINC001601238941	1168672723	/nfs/dbraw/zinc/67/27/23/1168672723.db2.gz	PPTSKHVFCWLXRW-YFCVBGDOSA-N	-1	0	307.277	0.456	20	30		DCEDRM
O=C([O-])c1ncoc1CCC(=O)NCC#C[C@@H]1CCCCO1	ZINC001601298543	1168694819	/nfs/dbraw/zinc/69/48/19/1168694819.db2.gz	UOVIGIYWVTZMNU-NSHDSACASA-N	-1	0	306.318	0.994	20	30		DCEDRM
O=C([O-])[C@H](NC(=O)c1cccc(C#CCO)c1)C1CCOCC1	ZINC001601394122	1168732225	/nfs/dbraw/zinc/73/22/25/1168732225.db2.gz	HISHILSYRKHLQO-OAHLLOKOSA-N	-1	0	317.341	0.640	20	30		DCEDRM
O=C([O-])C[C@H]1CCCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001601949986	1168944757	/nfs/dbraw/zinc/94/47/57/1168944757.db2.gz	FDYHYIZSIVDNCG-ZEIZSXSISA-N	-1	0	321.333	0.369	20	30		DCEDRM
O=C([O-])C[C@@H]1CCCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001601949985	1168944924	/nfs/dbraw/zinc/94/49/24/1168944924.db2.gz	FDYHYIZSIVDNCG-SJHSGFPMSA-N	-1	0	321.333	0.369	20	30		DCEDRM
O=C([O-])CNC(=O)[C@@H]1CCCN1CC#Cc1ccc(F)cc1	ZINC001602067944	1168984303	/nfs/dbraw/zinc/98/43/03/1168984303.db2.gz	YBBBRCJSMZFUGP-AWEZNQCLSA-N	-1	0	304.321	0.842	20	30		DCEDRM
O=C([O-])c1cnc(NCCNC(=O)C2N=CC=CC2=O)nc1	ZINC001602630930	1169135850	/nfs/dbraw/zinc/13/58/50/1169135850.db2.gz	DXSNTAHAFWXNRT-KHPPLWFESA-N	-1	0	303.278	0.113	20	30		DCEDRM
C#C[C@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)C1CCOCC1	ZINC001602673735	1169155641	/nfs/dbraw/zinc/15/56/41/1169155641.db2.gz	JNVVAXMSBQDULW-ZDUSSCGKSA-N	-1	0	302.330	0.867	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1	ZINC001602678713	1169156989	/nfs/dbraw/zinc/15/69/89/1169156989.db2.gz	PFAVAQLEKHQOJB-UHFFFAOYSA-N	-1	0	308.240	0.646	20	30		DCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2scc(C(=O)[O-])c2C)C1	ZINC001602679410	1169157001	/nfs/dbraw/zinc/15/70/01/1169157001.db2.gz	WXCNFBJUTBNEHS-UHFFFAOYSA-N	-1	0	310.306	0.877	20	30		DCEDRM
C#C[C@H](NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1CCOCC1	ZINC001602674612	1169157042	/nfs/dbraw/zinc/15/70/42/1169157042.db2.gz	TXMMDNQCEXMPPC-DVZHBHJUSA-N	-1	0	306.362	0.967	20	30		DCEDRM
C#C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C1CCOCC1	ZINC001602678270	1169157059	/nfs/dbraw/zinc/15/70/59/1169157059.db2.gz	KYRWRSUFFSBFRK-GFCCVEGCSA-N	-1	0	315.391	0.589	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001602677233	1169157288	/nfs/dbraw/zinc/15/72/88/1169157288.db2.gz	RVGCNRLESRFMDD-LLVKDONJSA-N	-1	0	318.333	0.229	20	30		DCEDRM
C#C[C@@H]1COCCN1C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC001602682101	1169157345	/nfs/dbraw/zinc/15/73/45/1169157345.db2.gz	YGCXNKVTAPJQFQ-RKDXNWHRSA-N	-1	0	309.347	0.946	20	30		DCEDRM
C#CC[C@H](COC)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001602684996	1169158259	/nfs/dbraw/zinc/15/82/59/1169158259.db2.gz	LDBBLAHFVRNZPH-SNVBAGLBSA-N	-1	0	312.347	0.405	20	30		DCEDRM
C#CC[C@H](NC(=O)CC1(Cn2cnnn2)CCCCC1)C(=O)[O-]	ZINC001602687840	1169161157	/nfs/dbraw/zinc/16/11/57/1169161157.db2.gz	XSFDSSKSQSFXKH-LBPRGKRZSA-N	-1	0	319.365	0.606	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C1	ZINC001602700400	1169164144	/nfs/dbraw/zinc/16/41/44/1169164144.db2.gz	XQVWLBRMCPTEEO-PNESKVBLSA-N	-1	0	306.362	0.618	20	30		DCEDRM
C#CCCCS(=O)(=O)NCc1ccc(-c2nn[nH]n2)c(F)c1	ZINC001602711150	1169165831	/nfs/dbraw/zinc/16/58/31/1169165831.db2.gz	KEAPZBIRQJBXSH-UHFFFAOYSA-N	-1	0	323.353	0.839	20	30		DCEDRM
C#CC[C@@H]1NC(=O)N(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1=O	ZINC001602702497	1169166068	/nfs/dbraw/zinc/16/60/68/1169166068.db2.gz	HBXWBUQOEZLRRS-NSHDSACASA-N	-1	0	314.280	0.450	20	30		DCEDRM
C#CCCCC(=O)NCCCNc1ccc(-c2nn[nH]n2)nc1	ZINC001602702136	1169166352	/nfs/dbraw/zinc/16/63/52/1169166352.db2.gz	AUQIHLUSZLQGMP-UHFFFAOYSA-N	-1	0	313.365	0.983	20	30		DCEDRM
C#CCCN(CCOC)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001602710420	1169166633	/nfs/dbraw/zinc/16/66/33/1169166633.db2.gz	FNBWALUGGDOKKX-UHFFFAOYSA-N	-1	0	318.329	0.822	20	30		DCEDRM
C#CCOCCN(C)S(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC001602728216	1169174781	/nfs/dbraw/zinc/17/47/81/1169174781.db2.gz	OFKKYRKOORIHOT-UHFFFAOYSA-N	-1	0	311.359	0.964	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001602746498	1169177432	/nfs/dbraw/zinc/17/74/32/1169177432.db2.gz	CMGQLCMOLKQAHG-RVMXOQNASA-N	-1	0	324.377	0.405	20	30		DCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001602749184	1169177806	/nfs/dbraw/zinc/17/78/06/1169177806.db2.gz	CZCYROAAHQRMDR-JTQLQIEISA-N	-1	0	314.363	0.694	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC001602757051	1169179798	/nfs/dbraw/zinc/17/97/98/1169179798.db2.gz	FBWBNQOOTFFXQM-VIFPVBQESA-N	-1	0	311.319	0.921	20	30		DCEDRM
C=C(C)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC001602762524	1169181755	/nfs/dbraw/zinc/18/17/55/1169181755.db2.gz	VSAGEMYZBGEQIP-GFCCVEGCSA-N	-1	0	304.302	0.558	20	30		DCEDRM
C=C(C)Cn1c(N2CCO[C@H](CC(=O)[O-])C2)nnc1C1(O)CC1	ZINC001602770746	1169182751	/nfs/dbraw/zinc/18/27/51/1169182751.db2.gz	BIEKKVNCOVGPAR-LLVKDONJSA-N	-1	0	322.365	0.516	20	30		DCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001602804098	1169186439	/nfs/dbraw/zinc/18/64/39/1169186439.db2.gz	LOLBSEITORMWAC-LBPRGKRZSA-N	-1	0	319.317	0.992	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001602812197	1169186863	/nfs/dbraw/zinc/18/68/63/1169186863.db2.gz	CWEXRWZEGNUQQI-OAHLLOKOSA-N	-1	0	306.318	0.767	20	30		DCEDRM
C=CCCC[C@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001602834388	1169190526	/nfs/dbraw/zinc/19/05/26/1169190526.db2.gz	RNSMAADKWHUXOW-VHSXEESVSA-N	-1	0	304.358	0.880	20	30		DCEDRM
C=CC[C@@H](Nc1ccn(CC(=O)N2CCOCC2)n1)C(=O)[O-]	ZINC001602844956	1169193074	/nfs/dbraw/zinc/19/30/74/1169193074.db2.gz	IFZNKRSSQGKXTJ-LLVKDONJSA-N	-1	0	308.338	0.183	20	30		DCEDRM
C=CCCC[C@H](NC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)[O-]	ZINC001602862394	1169193784	/nfs/dbraw/zinc/19/37/84/1169193784.db2.gz	DMQJJWGUZDKEMU-BLLLJJGKSA-N	-1	0	322.361	0.525	20	30		DCEDRM
C=CCCC[C@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC001602873370	1169197927	/nfs/dbraw/zinc/19/79/27/1169197927.db2.gz	VGVMHAOIRCHGNJ-JTQLQIEISA-N	-1	0	319.317	0.952	20	30		DCEDRM
C=CCCn1cc(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])nn1	ZINC001602884609	1169198746	/nfs/dbraw/zinc/19/87/46/1169198746.db2.gz	LEHNUEJQRMJLPY-SNVBAGLBSA-N	-1	0	321.362	0.736	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC001602908859	1169201362	/nfs/dbraw/zinc/20/13/62/1169201362.db2.gz	HLLFGEALSUMPSI-GFCCVEGCSA-N	-1	0	308.290	0.909	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c(C)[nH]c(C(=O)OC)c1C)C(=O)[O-]	ZINC001602909369	1169203329	/nfs/dbraw/zinc/20/33/29/1169203329.db2.gz	TZFUZJULQBIZIV-SNVBAGLBSA-N	-1	0	324.333	0.804	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c(OC)nsc1OC)C(=O)[O-]	ZINC001602908963	1169203362	/nfs/dbraw/zinc/20/33/62/1169203362.db2.gz	JHRNYISEGAMPJI-SSDOTTSWSA-N	-1	0	316.335	0.546	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)/C=C\c1cnc(OC)nc1)C(=O)[O-]	ZINC001602910357	1169203524	/nfs/dbraw/zinc/20/35/24/1169203524.db2.gz	XAHGBXSYHDAQHR-DOGVGXBMSA-N	-1	0	307.306	0.270	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001602915209	1169204754	/nfs/dbraw/zinc/20/47/54/1169204754.db2.gz	GJQXKOUPABHJHY-UHFFFAOYSA-N	-1	0	309.322	0.371	20	30		DCEDRM
C=CCn1c([C@@H](O)COC)nnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC001602931782	1169210523	/nfs/dbraw/zinc/21/05/23/1169210523.db2.gz	BOQZLFUIYWDPIH-WOPDTQHZSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=CCn1c(-c2cc(C)on2)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001602929734	1169210958	/nfs/dbraw/zinc/21/09/58/1169210958.db2.gz	AFFSMSZARUXQFM-NSHDSACASA-N	-1	0	319.321	0.717	20	30		DCEDRM
CC#CC[C@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001602945308	1169215527	/nfs/dbraw/zinc/21/55/27/1169215527.db2.gz	FZZSJPYOBSPXMO-LLVKDONJSA-N	-1	0	303.380	0.325	20	30		DCEDRM
C[C@H](C#N)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[nH]n2)nc1	ZINC001602982244	1169223592	/nfs/dbraw/zinc/22/35/92/1169223592.db2.gz	SOWJSGZKJVVFNT-NXEZZACHSA-N	-1	0	314.353	0.680	20	30		DCEDRM
C[C@@](C#N)(NC(=O)COC(=O)c1ccnc(C(=O)[O-])c1)C1CC1	ZINC001603130500	1169250148	/nfs/dbraw/zinc/25/01/48/1169250148.db2.gz	WODGIPCIOVPRQD-HNNXBMFYSA-N	-1	0	317.301	0.745	20	30		DCEDRM
C[C@@H](C#N)OCCn1cc(CN2CCCC[C@H]2C(=O)[O-])nn1	ZINC001603131873	1169251208	/nfs/dbraw/zinc/25/12/08/1169251208.db2.gz	NMHJMYJQFZETCS-AAEUAGOBSA-N	-1	0	307.354	0.646	20	30		DCEDRM
C[C@H](C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001603156164	1169259952	/nfs/dbraw/zinc/25/99/52/1169259952.db2.gz	OCVHLBMMULXOIV-ISTVAULSSA-N	-1	0	305.338	0.860	20	30		DCEDRM
CC(C)(C)C#CC(=O)NC/C=C\CNc1ccnc(C(=O)[O-])n1	ZINC001603295571	1169287904	/nfs/dbraw/zinc/28/79/04/1169287904.db2.gz	DAGXATLVIMYGBM-PLNGDYQASA-N	-1	0	316.361	0.731	20	30		DCEDRM
C[C@@H](CC[S@](C)=O)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001603498945	1169313895	/nfs/dbraw/zinc/31/38/95/1169313895.db2.gz	FQCRJCYCVDMYEU-SGWXMTNESA-N	-1	0	306.355	0.097	20	30		DCEDRM
CC(C)(C)n1cnc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001603568683	1169326417	/nfs/dbraw/zinc/32/64/17/1169326417.db2.gz	ZJLIEWYXVQFSCV-UHFFFAOYSA-N	-1	0	305.338	0.864	20	30		DCEDRM
CC(C)(CS(=O)(=O)NCc1nc(C#N)cs1)C(=O)[O-]	ZINC001603659700	1169345215	/nfs/dbraw/zinc/34/52/15/1169345215.db2.gz	ICYBDJHUJGHBOU-UHFFFAOYSA-N	-1	0	303.365	0.545	20	30		DCEDRM
C[C@@H](NC(=S)NN=Cc1nc(-c2nn[nH]n2)cs1)C1CC1	ZINC001603648001	1169342528	/nfs/dbraw/zinc/34/25/28/1169342528.db2.gz	BPMINSFJAQWLSO-ZCFIWIBFSA-N	-1	0	322.423	0.920	20	30		DCEDRM
C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC001603831025	1169405841	/nfs/dbraw/zinc/40/58/41/1169405841.db2.gz	SQQLBNIZDHXACL-NKWVEPMBSA-N	-1	0	314.309	0.405	20	30		DCEDRM
CC(C)[C@H](NC(=O)COC(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC001603974091	1169461801	/nfs/dbraw/zinc/46/18/01/1169461801.db2.gz	VMBGCHIIBZYQOF-AWEZNQCLSA-N	-1	0	319.317	0.264	20	30		DCEDRM
C[C@@H](CNC(=O)CSCC#N)CNc1ncc(C(=O)[O-])cn1	ZINC001604174030	1169514084	/nfs/dbraw/zinc/51/40/84/1169514084.db2.gz	IEHDXQZRDMPHJR-VIFPVBQESA-N	-1	0	323.378	0.596	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1CCS(=O)(=O)c1ccc(C#N)cn1	ZINC001604635793	1169638270	/nfs/dbraw/zinc/63/82/70/1169638270.db2.gz	IJOREDQMNXFSCX-ZYHUDNBSSA-N	-1	0	323.374	0.522	20	30		DCEDRM
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C[C@H]1O	ZINC001604760404	1169672370	/nfs/dbraw/zinc/67/23/70/1169672370.db2.gz	JVYFNFLDSHYZRX-BXKDBHETSA-N	-1	0	324.358	0.648	20	30		DCEDRM
CN(c1cnc(C#N)c(-c2nnn[n-]2)n1)[C@H](CO)CC(C)(C)C	ZINC001604830927	1169699735	/nfs/dbraw/zinc/69/97/35/1169699735.db2.gz	GBVUHFUCZVHLLE-VIFPVBQESA-N	-1	0	316.369	0.762	20	30		DCEDRM
CC[C@@H](CNC(=O)C#CC(C)(C)C)Nc1ccnc(C(=O)[O-])n1	ZINC001605024185	1169784136	/nfs/dbraw/zinc/78/41/36/1169784136.db2.gz	TVJHKDUYUVFXPA-NSHDSACASA-N	-1	0	318.377	0.953	20	30		DCEDRM
COc1nscc1Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC001605352097	1169901051	/nfs/dbraw/zinc/90/10/51/1169901051.db2.gz	IXYMXZLAJJUFGM-UHFFFAOYSA-N	-1	0	303.311	0.030	20	30		DCEDRM
CCN(CCCNC(=O)C#CC1CC1)c1ccnc(C(=O)[O-])n1	ZINC001605445318	1169922951	/nfs/dbraw/zinc/92/29/51/1169922951.db2.gz	PLSOFDSBORQXCS-UHFFFAOYSA-N	-1	0	316.361	0.921	20	30		DCEDRM
Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@@H](C#N)CC(C)C	ZINC001605507500	1169943405	/nfs/dbraw/zinc/94/34/05/1169943405.db2.gz	ZVZSUVVHBFRNIA-SECBINFHSA-N	-1	0	315.337	0.944	20	30		DCEDRM
CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCN(C(=O)C#CC2CC2)CC1	ZINC001605957542	1170035717	/nfs/dbraw/zinc/03/57/17/1170035717.db2.gz	SIRHNAMKVHLQMC-ZIAGYGMSSA-N	-1	0	318.373	0.570	20	30		DCEDRM
CN([C@@H](COC1CCC1)C(=O)[O-])S(=O)(=O)CC(C)(C)C#N	ZINC001605992163	1170042428	/nfs/dbraw/zinc/04/24/28/1170042428.db2.gz	AKIWFPBVMHMHOV-NSHDSACASA-N	-1	0	318.395	0.820	20	30		DCEDRM
CN(CCCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001606121707	1170082794	/nfs/dbraw/zinc/08/27/94/1170082794.db2.gz	NWPPDYKCQRJPGY-NEPJUHHUSA-N	-1	0	317.349	0.354	20	30		DCEDRM
CN1C[C@@H](C(=O)[O-])N(Cc2ccc(C#N)cc2Cl)CC1=O	ZINC001606201763	1170109685	/nfs/dbraw/zinc/10/96/85/1170109685.db2.gz	DVPKFBKVFHTSQH-LBPRGKRZSA-N	-1	0	307.737	0.939	20	30		DCEDRM
Cn1cc2c(n1)CCC[C@H]2Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001606246613	1170135043	/nfs/dbraw/zinc/13/50/43/1170135043.db2.gz	XETHUBVAIZAVHK-SECBINFHSA-N	-1	0	322.336	0.751	20	30		DCEDRM
N#CC1(CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC001606343452	1170163495	/nfs/dbraw/zinc/16/34/95/1170163495.db2.gz	ONNWRBSMJYGMKJ-UHFFFAOYSA-N	-1	0	304.335	0.449	20	30		DCEDRM
N#Cc1cccc(-c2nn[nH]n2)c1N1CCO[C@H](C(=O)[O-])C1	ZINC001606380023	1170176160	/nfs/dbraw/zinc/17/61/60/1170176160.db2.gz	PHEUNFNRWMDSPB-JTQLQIEISA-N	-1	0	300.278	0.028	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)Cc2ccc(-c3nn[nH]n3)nc2)c1	ZINC001606381625	1170176235	/nfs/dbraw/zinc/17/62/35/1170176235.db2.gz	IMGLCXZYMWWGKT-UHFFFAOYSA-N	-1	0	321.300	0.786	20	30		DCEDRM
COC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C(=O)[O-]	ZINC001606810194	1170298018	/nfs/dbraw/zinc/29/80/18/1170298018.db2.gz	RCVXRUNRZIACEP-LBPRGKRZSA-N	-1	0	321.333	0.424	20	30		DCEDRM
COc1c(NC(=O)N[C@H]2CCCN(O)C2=O)cccc1C(=O)[O-]	ZINC001607031181	1170360816	/nfs/dbraw/zinc/36/08/16/1170360816.db2.gz	DRKNBAOKJSXRGO-JTQLQIEISA-N	-1	0	323.305	0.895	20	30		DCEDRM
COc1cc(OS(=O)(=O)c2n[nH]cc2C(=O)[O-])ccc1C#N	ZINC001607187729	1170413225	/nfs/dbraw/zinc/41/32/25/1170413225.db2.gz	DXMTZQGMLLRDPL-UHFFFAOYSA-N	-1	0	323.286	0.756	20	30		DCEDRM
COc1ccc(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])cc1C#N	ZINC001607260514	1170419917	/nfs/dbraw/zinc/41/99/17/1170419917.db2.gz	VYRBABYCRVBHEW-SECBINFHSA-N	-1	0	312.347	0.707	20	30		DCEDRM
C[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1NC(=O)C#CC1CC1	ZINC001607439358	1170453860	/nfs/dbraw/zinc/45/38/60/1170453860.db2.gz	JMSGFCQZDHVGHS-ZWNOBZJWSA-N	-1	0	314.345	0.529	20	30		DCEDRM
Cc1c(C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)cnn1CCC#N	ZINC001607507770	1170469940	/nfs/dbraw/zinc/46/99/40/1170469940.db2.gz	HDVVMGXEWYGOHF-OAHLLOKOSA-N	-1	0	320.349	0.859	20	30		DCEDRM
Cc1cc(C#N)cc(N(CCN2CCOCC2)CC(=O)[O-])n1	ZINC001607565924	1170477315	/nfs/dbraw/zinc/47/73/15/1170477315.db2.gz	SRUOWVMXXLQBLE-UHFFFAOYSA-N	-1	0	304.350	0.485	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1	ZINC001607565872	1170477502	/nfs/dbraw/zinc/47/75/02/1170477502.db2.gz	JXDHVOXIGFLJJP-SECBINFHSA-N	-1	0	315.289	0.856	20	30		DCEDRM
Cc1cc(C#N)nc(N(C)CCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1	ZINC001607565771	1170477883	/nfs/dbraw/zinc/47/78/83/1170477883.db2.gz	GURHFJFTFMIEQN-NWDGAFQWSA-N	-1	0	317.349	0.320	20	30		DCEDRM
Cc1cc([C@H](NC(=O)Cn2cnc(C#N)n2)C(=O)[O-])ccc1F	ZINC001607614966	1170484632	/nfs/dbraw/zinc/48/46/32/1170484632.db2.gz	PELOIQJEEWBLHM-ZDUSSCGKSA-N	-1	0	317.280	0.539	20	30		DCEDRM
Cc1cc(F)c(C#N)cc1NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC001607659279	1170491381	/nfs/dbraw/zinc/49/13/81/1170491381.db2.gz	XSFDABGSPWHACB-UHFFFAOYSA-N	-1	0	303.253	0.934	20	30		DCEDRM
Cc1ccc(CNS(=O)(=O)N(C)CCC(=O)[O-])cc1C#N	ZINC001607782465	1170506350	/nfs/dbraw/zinc/50/63/50/1170506350.db2.gz	STNYJHQEZRLQBX-UHFFFAOYSA-N	-1	0	311.363	0.608	20	30		DCEDRM
Cc1coc(CC(=O)[O-])c1C(=O)N1CCN(CCC#N)CC1	ZINC001607917578	1170524409	/nfs/dbraw/zinc/52/44/09/1170524409.db2.gz	MYEOGNMZAYXNRK-UHFFFAOYSA-N	-1	0	305.334	0.887	20	30		DCEDRM
Cn1ncc2c1ncn(N=Cc1ccc(C(=O)[O-])n1C)c2=O	ZINC001608088015	1170568335	/nfs/dbraw/zinc/56/83/35/1170568335.db2.gz	VZRXXOPDLZBLEH-UHFFFAOYSA-N	-1	0	300.278	0.049	20	30		DCEDRM
Cn1nccc1[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC001608162375	1170602644	/nfs/dbraw/zinc/60/26/44/1170602644.db2.gz	FISMINFPOOTKOO-CQSZACIVSA-N	-1	0	313.317	0.646	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC001608163151	1170604785	/nfs/dbraw/zinc/60/47/85/1170604785.db2.gz	XHSWGMDUUOUALI-AWEZNQCLSA-N	-1	0	314.301	0.613	20	30		DCEDRM
N#C[C@H](C(=O)Nc1ccccc1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001608170121	1170608127	/nfs/dbraw/zinc/60/81/27/1170608127.db2.gz	JNDAMIWVDBPRSY-TUAOUCFPSA-N	-1	0	302.286	0.966	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCCS2(=O)=O)CC1	ZINC001608171383	1170608206	/nfs/dbraw/zinc/60/82/06/1170608206.db2.gz	LZLUBQAUNWWTCY-JTQLQIEISA-N	-1	0	314.363	0.171	20	30		DCEDRM
N#C[C@H](CO)NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1	ZINC001608174483	1170609122	/nfs/dbraw/zinc/60/91/22/1170609122.db2.gz	ZVNJFRQUWGJIDI-SECBINFHSA-N	-1	0	300.274	0.185	20	30		DCEDRM
N#C[C@@H](c1ccccc1)N1CCN(C(=O)COCC(=O)[O-])CC1	ZINC001608173927	1170609240	/nfs/dbraw/zinc/60/92/40/1170609240.db2.gz	PCXKBRWAXQPTIM-AWEZNQCLSA-N	-1	0	317.345	0.497	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CCCC1	ZINC001608175919	1170609468	/nfs/dbraw/zinc/60/94/68/1170609468.db2.gz	QKGPYBNRSIIAHZ-WDEREUQCSA-N	-1	0	316.379	0.168	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2CCc3cncn3C2)CC1	ZINC001608171766	1170609546	/nfs/dbraw/zinc/60/95/46/1170609546.db2.gz	RGHANXMVLQNTSF-NSHDSACASA-N	-1	0	302.334	0.662	20	30		DCEDRM
N#C[C@H]1CN(C(=O)Nc2cccc(C(=O)[O-])n2)CCN1C1CC1	ZINC001608178703	1170610613	/nfs/dbraw/zinc/61/06/13/1170610613.db2.gz	ADTSUFRDDPIBDY-NSHDSACASA-N	-1	0	315.333	0.984	20	30		DCEDRM
N#C[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	ZINC001608179405	1170610797	/nfs/dbraw/zinc/61/07/97/1170610797.db2.gz	VPZLWINTCNAJMO-OZWUEAAUSA-N	-1	0	305.334	0.118	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1ccc(Cn2ccnn2)o1	ZINC001608185313	1170611559	/nfs/dbraw/zinc/61/15/59/1170611559.db2.gz	LUXLXQXWMRTHMT-UHFFFAOYSA-N	-1	0	303.278	0.360	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)[C@@H]1CC(c2cccnc2)=NO1	ZINC001608185251	1170611587	/nfs/dbraw/zinc/61/15/87/1170611587.db2.gz	JJLZOEITAHKQRH-LBPRGKRZSA-N	-1	0	302.290	0.401	20	30		DCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1F	ZINC001608186317	1170612651	/nfs/dbraw/zinc/61/26/51/1170612651.db2.gz	JSSGFYXZXCNATF-UHFFFAOYSA-N	-1	0	311.294	0.686	20	30		DCEDRM
N#CCN(CCS(=O)(=O)c1cccc(C#N)c1)CC(=O)[O-]	ZINC001608187962	1170612795	/nfs/dbraw/zinc/61/27/95/1170612795.db2.gz	HJTIZOXHSRXFCA-UHFFFAOYSA-N	-1	0	307.331	0.242	20	30		DCEDRM
N#CCc1ccc(NC(=O)Cn2cnc(C(=O)[O-])cc2=O)cc1	ZINC001608189835	1170612897	/nfs/dbraw/zinc/61/28/97/1170612897.db2.gz	OZYFJGCRTIKBCA-UHFFFAOYSA-N	-1	0	312.285	0.646	20	30		DCEDRM
N#Cc1ccc(F)cc1CN1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001608206446	1170614540	/nfs/dbraw/zinc/61/45/40/1170614540.db2.gz	GHEVJRKIJHCLMW-UONOGXRCSA-N	-1	0	317.320	0.718	20	30		DCEDRM
N#Cc1ccc(NCC(=O)N[C@@H](C(=O)[O-])c2ccccn2)nc1	ZINC001608209031	1170616211	/nfs/dbraw/zinc/61/62/11/1170616211.db2.gz	UGRBPURTDSCHEC-CQSZACIVSA-N	-1	0	311.301	0.702	20	30		DCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1	ZINC001608218059	1170617503	/nfs/dbraw/zinc/61/75/03/1170617503.db2.gz	CVVGMGWAPRRNHC-CBBWQLFWSA-N	-1	0	314.341	0.956	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001608219215	1170618472	/nfs/dbraw/zinc/61/84/72/1170618472.db2.gz	NZMXTZVQUXZRQG-BXUZGUMPSA-N	-1	0	304.302	0.543	20	30		DCEDRM
N#Cc1ccccc1/C=C\C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC001608220780	1170618205	/nfs/dbraw/zinc/61/82/05/1170618205.db2.gz	IZVZYHVFYRWSRQ-CFHLNLSMSA-N	-1	0	313.313	0.373	20	30		DCEDRM
N#Cc1ccnc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c1	ZINC001608220584	1170618230	/nfs/dbraw/zinc/61/82/30/1170618230.db2.gz	FURIRUKXEQGCSM-LBPRGKRZSA-N	-1	0	309.347	0.027	20	30		DCEDRM
N#Cc1ccsc1NC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001608222564	1170618440	/nfs/dbraw/zinc/61/84/40/1170618440.db2.gz	DVODWWQEUAKTDA-VIFPVBQESA-N	-1	0	322.346	0.817	20	30		DCEDRM
N#Cc1nc(C(=O)[O-])ccc1N1CCC[C@H](CS(N)(=O)=O)C1	ZINC001608223887	1170619271	/nfs/dbraw/zinc/61/92/71/1170619271.db2.gz	LVZFNLKCFZJKQT-VIFPVBQESA-N	-1	0	324.362	0.156	20	30		DCEDRM
O=C([O-])[C@@H](O)CNC(=O)C#Cc1ccc(C(F)(F)F)cc1	ZINC001608277931	1170641016	/nfs/dbraw/zinc/64/10/16/1170641016.db2.gz	WGMHQBSXMZACQO-JTQLQIEISA-N	-1	0	301.220	0.619	20	30		DCEDRM
C#CCN(C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1CCCC1	ZINC001609020961	1170786375	/nfs/dbraw/zinc/78/63/75/1170786375.db2.gz	VGQHWMZPEXIQNZ-JTQLQIEISA-N	-1	0	314.353	0.424	20	30		DCEDRM
C=C(C)CCc1noc([C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1	ZINC001609051164	1170793630	/nfs/dbraw/zinc/79/36/30/1170793630.db2.gz	PXPVXXPUXILOPR-MRVPVSSYSA-N	-1	0	301.314	0.959	20	30		DCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001609057800	1170794169	/nfs/dbraw/zinc/79/41/69/1170794169.db2.gz	GDUPTOAOMAURIV-GFCCVEGCSA-N	-1	0	315.391	0.685	20	30		DCEDRM
C#C[C@H]([C@@H]1CCCO1)N1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O	ZINC001609054749	1170794470	/nfs/dbraw/zinc/79/44/70/1170794470.db2.gz	QQGRWDYYJAIWPO-KKOKHZNYSA-N	-1	0	306.318	0.295	20	30		DCEDRM
C#C[C@H]([C@@H]1CCCO1)N1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O	ZINC001609054750	1170794518	/nfs/dbraw/zinc/79/45/18/1170794518.db2.gz	QQGRWDYYJAIWPO-QCNOEVLYSA-N	-1	0	306.318	0.295	20	30		DCEDRM
C#CC[C@H](NC(=O)C(=O)Nc1cc(OC)ccc1OC)C(=O)[O-]	ZINC001609076669	1170800118	/nfs/dbraw/zinc/80/01/18/1170800118.db2.gz	UAOMVMALSKMFBZ-JTQLQIEISA-N	-1	0	320.301	0.235	20	30		DCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC001609105226	1170811356	/nfs/dbraw/zinc/81/13/56/1170811356.db2.gz	PCPHIHQAEJIQCA-LLVKDONJSA-N	-1	0	311.359	0.746	20	30		DCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC001609105227	1170812144	/nfs/dbraw/zinc/81/21/44/1170812144.db2.gz	PCPHIHQAEJIQCA-NSHDSACASA-N	-1	0	311.359	0.746	20	30		DCEDRM
C#CCN(C(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1)C1CC1	ZINC001609137188	1170821703	/nfs/dbraw/zinc/82/17/03/1170821703.db2.gz	CXLZWZAQRCLXIZ-UHFFFAOYSA-N	-1	0	316.313	0.956	20	30		DCEDRM
C#Cc1ccc(C(=O)N(CCC(=O)[O-])CC(OC)OC)nc1	ZINC001609183725	1170853323	/nfs/dbraw/zinc/85/33/23/1170853323.db2.gz	OVWPWKJTOFQZDN-UHFFFAOYSA-N	-1	0	306.318	0.599	20	30		DCEDRM
C#Cc1ccccc1CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001609189967	1170855839	/nfs/dbraw/zinc/85/58/39/1170855839.db2.gz	OEYKNEMZHGWMKQ-CQSZACIVSA-N	-1	0	314.341	0.402	20	30		DCEDRM
C=C(C)CS(=O)(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC001609258034	1170901315	/nfs/dbraw/zinc/90/13/15/1170901315.db2.gz	XBGODVUDOYMPAG-NXEZZACHSA-N	-1	0	305.352	0.231	20	30		DCEDRM
C=CCNC(=O)NC(=O)CN[C@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC001609398972	1170967941	/nfs/dbraw/zinc/96/79/41/1170967941.db2.gz	ULZQVZMLUCLAON-ZDUSSCGKSA-N	-1	0	323.324	0.861	20	30		DCEDRM
C=CCOC[C@H](NC(=O)C[C@H]1CCOC[C@H]1OC)C(=O)[O-]	ZINC001609432275	1170973771	/nfs/dbraw/zinc/97/37/71/1170973771.db2.gz	LJFANDMHGPKMQK-GRYCIOLGSA-N	-1	0	301.339	0.200	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cc(NC(C)=O)ccc1O)C(=O)[O-]	ZINC001609442816	1170978150	/nfs/dbraw/zinc/97/81/50/1170978150.db2.gz	GXINIXXKPYQJML-LBPRGKRZSA-N	-1	0	322.317	0.736	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1[nH]nc(CC)c1[N+](=O)[O-])C(=O)[O-]	ZINC001609442946	1170979218	/nfs/dbraw/zinc/97/92/18/1170979218.db2.gz	LZVPAFKCBZTYAX-QMMMGPOBSA-N	-1	0	312.282	0.266	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(-n2ccnc2)nn1)C(=O)[O-]	ZINC001609442712	1170979239	/nfs/dbraw/zinc/97/92/39/1170979239.db2.gz	CDQXQKOTAAXGNR-NSHDSACASA-N	-1	0	317.305	0.048	20	30		DCEDRM
Cc1nc(-c2nn[nH]n2)c([N-]N=C2c3ccccc3N(C)C2=O)o1	ZINC001609446043	1170981009	/nfs/dbraw/zinc/98/10/09/1170981009.db2.gz	JCTYBERPPZUIOB-UHFFFAOYSA-N	-1	0	324.304	0.956	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1CC(=O)OCC(F)(F)F	ZINC001609445868	1170981541	/nfs/dbraw/zinc/98/15/41/1170981541.db2.gz	YDNAPZJZLDBCNK-UHFFFAOYSA-N	-1	0	315.215	0.349	20	30		DCEDRM
C=CCn1c(C)cc(C(=O)CN2C[C@@H](O)C[C@@H]2C(=O)[O-])c1C	ZINC001609470320	1170989675	/nfs/dbraw/zinc/98/96/75/1170989675.db2.gz	NUNIYWCFGVBXDF-GXTWGEPZSA-N	-1	0	306.362	0.993	20	30		DCEDRM
CC(C)(CNN=Cc1cc(C(=O)[O-])ccc1O)S(C)(=O)=O	ZINC001609676635	1171063955	/nfs/dbraw/zinc/06/39/55/1171063955.db2.gz	ZNOATTQVEZHWRP-UHFFFAOYSA-N	-1	0	314.363	0.837	20	30		DCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001609831405	1171099615	/nfs/dbraw/zinc/09/96/15/1171099615.db2.gz	BPGOWGMVFUSMKD-HMMHSFKJSA-N	-1	0	321.333	0.225	20	30		DCEDRM
Cc1cc(NC(=O)N[C@@]2(CC(=O)[O-])CCOC2)nn1CCC#N	ZINC001610474060	1171241263	/nfs/dbraw/zinc/24/12/63/1171241263.db2.gz	XXFOFSAZSZBREZ-CQSZACIVSA-N	-1	0	321.337	0.861	20	30		DCEDRM
Cc1oc(C#N)cc1C(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC001610578611	1171258821	/nfs/dbraw/zinc/25/88/21/1171258821.db2.gz	VDNNGCYAAJZSLI-UHFFFAOYSA-N	-1	0	321.333	0.319	20	30		DCEDRM
N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1	ZINC001610620403	1171270130	/nfs/dbraw/zinc/27/01/30/1171270130.db2.gz	FTNGQRCWXYXODJ-HNNXBMFYSA-N	-1	0	317.301	0.200	20	30		DCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1	ZINC001610620147	1171270412	/nfs/dbraw/zinc/27/04/12/1171270412.db2.gz	BKMOKGVXCQVMMD-ZDUSSCGKSA-N	-1	0	310.331	0.424	20	30		DCEDRM
N#CCCCCNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001610621641	1171271572	/nfs/dbraw/zinc/27/15/72/1171271572.db2.gz	NVXXITFSBAVQGA-JTQLQIEISA-N	-1	0	306.326	0.627	20	30		DCEDRM
N#Cc1ccc(N2CC[C@H](C(=O)N[C@H](CO)C(=O)[O-])C2)c(F)c1	ZINC001610628592	1171272544	/nfs/dbraw/zinc/27/25/44/1171272544.db2.gz	LEVBVBDVVUIDNI-CMPLNLGQSA-N	-1	0	321.308	0.085	20	30		DCEDRM
Cn1c(=O)[n-]c(Nc2cccc(Cn3cccn3)c2)c(C#N)c1=O	ZINC001611786358	1171358795	/nfs/dbraw/zinc/35/87/95/1171358795.db2.gz	YCRYTILJVIKMEB-UHFFFAOYSA-N	-1	0	322.328	0.934	20	30		DCEDRM
CNC(=O)Cn1nc([N-]c2ncc(C#N)cc2[N+](=O)[O-])cc1C	ZINC001612211854	1171359341	/nfs/dbraw/zinc/35/93/41/1171359341.db2.gz	SXCAVXAAMDDDBK-UHFFFAOYSA-N	-1	0	315.293	0.856	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2ccnc(Cl)c2)c(=O)[n-]c1=O	ZINC001639124207	1171821480	/nfs/dbraw/zinc/82/14/80/1171821480.db2.gz	MQRVMHGDQJHHIK-UHFFFAOYSA-N	-1	0	319.708	0.185	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1nc2ncccn2n1	ZINC001639333668	1171832495	/nfs/dbraw/zinc/83/24/95/1171832495.db2.gz	HUKQIOGXSHEWOQ-UHFFFAOYSA-N	-1	0	309.289	0.335	20	30		DCEDRM
Cc1cc(Cl)nc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001639825342	1171852711	/nfs/dbraw/zinc/85/27/11/1171852711.db2.gz	ZRWHIATYSYPVMK-UHFFFAOYSA-N	-1	0	305.725	0.914	20	30		DCEDRM
C=CCC1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCOCC1	ZINC001641024390	1171902699	/nfs/dbraw/zinc/90/26/99/1171902699.db2.gz	WOPXHHHIAPBHTL-UHFFFAOYSA-N	-1	0	310.354	0.711	20	30		DCEDRM
CCCCS(=O)(=O)NCC(=O)[N-]Oc1cccc(C#N)c1	ZINC001642628676	1171952794	/nfs/dbraw/zinc/95/27/94/1171952794.db2.gz	RWJAJLNGHWNANO-UHFFFAOYSA-N	-1	0	311.363	0.688	20	30		DCEDRM
C[C@H]1CC2(CN1c1[n-]c(=O)n(C)c(=O)c1C#N)CCOCC2	ZINC001647626794	1173005465	/nfs/dbraw/zinc/00/54/65/1173005465.db2.gz	BCTQJKWHLCWLLX-JTQLQIEISA-N	-1	0	304.350	0.341	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC(C)(C)[C@H]2c2cccnc2)c(C#N)c1=O	ZINC001647627851	1173006625	/nfs/dbraw/zinc/00/66/25/1173006625.db2.gz	BOHHIWCHHNWGJH-GFCCVEGCSA-N	-1	0	311.345	0.928	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCOc3cc(F)ccc3C2)c(C#N)c1=O	ZINC001647630479	1173008080	/nfs/dbraw/zinc/00/80/80/1173008080.db2.gz	FRECBNUKAUGSOW-UHFFFAOYSA-N	-1	0	316.292	0.483	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@H](CC(N)=O)C2)cc1C#N	ZINC001649803424	1173234260	/nfs/dbraw/zinc/23/42/60/1173234260.db2.gz	AJJZHOLVPJOFNJ-MRVPVSSYSA-N	-1	0	320.374	0.718	20	30		DCEDRM
C=CCCC[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C(=O)OC	ZINC001652014287	1173760683	/nfs/dbraw/zinc/76/06/83/1173760683.db2.gz	WNZGFFNYYDEMSR-MRVPVSSYSA-N	-1	0	314.367	0.617	20	30		DCEDRM
COC(=O)c1c(C)n[n-]c1S(=O)(=O)Oc1cccnc1C#N	ZINC001655225194	1173816599	/nfs/dbraw/zinc/81/65/99/1173816599.db2.gz	IKGFYCQHDLLXMH-UHFFFAOYSA-N	-1	0	322.302	0.539	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(CC)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001665715673	1174557024	/nfs/dbraw/zinc/55/70/24/1174557024.db2.gz	UFKLEHCKPGIWCN-NHYWBVRUSA-N	-1	0	323.397	0.260	20	30		DCEDRM
CC(C)C#CC(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001671412772	1175011608	/nfs/dbraw/zinc/01/16/08/1175011608.db2.gz	XVXNDRHILJXVLJ-UHFFFAOYSA-N	-1	0	305.382	0.640	20	30		DCEDRM
Cc1[nH]nc(C(=O)N2CC([C@@H](C)NC(=O)C#CC3CC3)C2)c1[O-]	ZINC001678653508	1175667964	/nfs/dbraw/zinc/66/79/64/1175667964.db2.gz	OEQJRCABKLMUQP-SECBINFHSA-N	-1	0	316.361	0.414	20	30		DCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)C#CC(C)(C)C)c1[O-]	ZINC001689413234	1176881760	/nfs/dbraw/zinc/88/17/60/1176881760.db2.gz	KXJJLCRQMDRRPV-SECBINFHSA-N	-1	0	306.366	0.708	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC001691803264	1177362119	/nfs/dbraw/zinc/36/21/19/1177362119.db2.gz	DNJBSHBRZRUGPM-HAQNSBGRSA-N	-1	0	321.425	0.695	20	30		DCEDRM
C=C1CC(C)(C(=O)N(CC)CCNCc2nc(=O)n(C)[nH]2)C1	ZINC001699203097	1177934945	/nfs/dbraw/zinc/93/49/45/1177934945.db2.gz	KUKQHUZNNASMJD-UHFFFAOYSA-N	-1	0	307.398	0.403	20	30		DCEDRM
C=CCOCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001701120430	1178931223	/nfs/dbraw/zinc/93/12/23/1178931223.db2.gz	VIGQZIBICBNZAT-DTWKUNHWSA-N	-1	0	310.354	0.249	20	30		DCEDRM
C=CCC1(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)CCC1	ZINC001723453761	1184309127	/nfs/dbraw/zinc/30/91/27/1184309127.db2.gz	RIAJIDAUHLQSFL-NSHDSACASA-N	-1	0	305.382	0.947	20	30		DCEDRM
C=CCCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21	ZINC001726153846	1185108308	/nfs/dbraw/zinc/10/83/08/1185108308.db2.gz	IEVXAVPUXDCJNR-CNDDSTCGSA-N	-1	0	318.377	0.824	20	30		DCEDRM
C=C1CC(C)(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001731854223	1185530139	/nfs/dbraw/zinc/53/01/39/1185530139.db2.gz	MEMXGAOUURENEY-NSHDSACASA-N	-1	0	305.382	0.805	20	30		DCEDRM
C=CC(C)(C)CC(=O)NC[C@@H](CC)[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001732199318	1185732464	/nfs/dbraw/zinc/73/24/64/1185732464.db2.gz	DAVLVERWJXFDDX-LLVKDONJSA-N	-1	0	309.414	0.695	20	30		DCEDRM
C=CCOCC(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001733354765	1186238241	/nfs/dbraw/zinc/23/82/41/1186238241.db2.gz	AAJHKSRZZOHKNM-UHFFFAOYSA-N	-1	0	309.370	0.184	20	30		DCEDRM
CC(C)(C)C#CC(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001734625782	1186710549	/nfs/dbraw/zinc/71/05/49/1186710549.db2.gz	MFTZBWAIOBBLPV-UHFFFAOYSA-N	-1	0	317.393	0.808	20	30		DCEDRM
C=C[C@@](C)(CC)C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001735254267	1186838724	/nfs/dbraw/zinc/83/87/24/1186838724.db2.gz	NCRAVJAIIYIGIR-BMIGLBTASA-N	-1	0	324.381	0.233	20	30		DCEDRM
C=CCO[C@@H](C)C(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001757881485	1189572946	/nfs/dbraw/zinc/57/29/46/1189572946.db2.gz	HCIDTQBTJVNKCO-NSHDSACASA-N	-1	0	322.365	0.299	20	30		DCEDRM
CN(Cc1nccn1C(F)F)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001772112760	1190610475	/nfs/dbraw/zinc/61/04/75/1190610475.db2.gz	CWDDRTCHAAPKFI-UHFFFAOYSA-N	-1	0	310.264	0.173	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001042742499	751879493	/nfs/dbraw/zinc/87/94/93/751879493.db2.gz	SDHAGOXEMCNABM-NEPJUHHUSA-N	-1	0	321.381	0.134	20	30		DCEDRM
N#CCNCC1(CCNC(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001167411599	747168725	/nfs/dbraw/zinc/16/87/25/747168725.db2.gz	SDQZKYUFYKAJQC-UHFFFAOYSA-N	-1	0	314.349	0.036	20	30		DCEDRM
C[C@H]1[C@H](Nc2cccc3[nH]c(C#N)cc32)C(=O)N1S(=O)(=O)[O-]	ZINC001167861855	748445561	/nfs/dbraw/zinc/44/55/61/748445561.db2.gz	VIIRMCPIEAYMTR-MADCSZMMSA-N	-1	0	320.330	0.854	20	30		DCEDRM
C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001077739918	752442631	/nfs/dbraw/zinc/44/26/31/752442631.db2.gz	OUEPTXJBIBDZKG-QMMMGPOBSA-N	-1	0	323.353	0.120	20	30		DCEDRM
C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3oc(=O)nc-3[n-]1)C2	ZINC001096339672	754720631	/nfs/dbraw/zinc/72/06/31/754720631.db2.gz	AITQGNBMFNTTRN-USWWRNFRSA-N	-1	0	312.329	0.897	20	30		DCEDRM
C=C(C)CCN1CC2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])CCO2	ZINC001053226554	755963427	/nfs/dbraw/zinc/96/34/27/755963427.db2.gz	YXAOGUPRJWZOTM-UHFFFAOYSA-N	-1	0	320.393	0.917	20	30		DCEDRM
C#CCN1CC2(C1)CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])O2	ZINC001053590643	756108512	/nfs/dbraw/zinc/10/85/12/756108512.db2.gz	MWJUOBKCVPYGAX-NSHDSACASA-N	-1	0	304.350	0.020	20	30		DCEDRM
C[C@]1(Br)C[C@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001118856142	757085879	/nfs/dbraw/zinc/08/58/79/757085879.db2.gz	QGKLGYPPDKXLEX-CBAPKCEASA-N	-1	0	309.185	0.910	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C)c2ccncc2C#N)c1[O-]	ZINC001100014593	759519843	/nfs/dbraw/zinc/51/98/43/759519843.db2.gz	QMAWDUBQUVQZOL-UHFFFAOYSA-N	-1	0	300.322	0.557	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)C2)c1[O-]	ZINC001058328208	759894481	/nfs/dbraw/zinc/89/44/81/759894481.db2.gz	MNQFQKHDWZNLLP-NSHDSACASA-N	-1	0	312.333	0.699	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1c[n+]([O-])ccc1[N+](=O)[O-]	ZINC001169968618	760934635	/nfs/dbraw/zinc/93/46/35/760934635.db2.gz	YZSUDQKCCIADHC-UHFFFAOYSA-N	-1	0	304.222	0.654	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)c2ccc(C#N)nn2)c1[O-]	ZINC001108901315	761128380	/nfs/dbraw/zinc/12/83/80/761128380.db2.gz	JRCHNXUPHRVZDI-QMMMGPOBSA-N	-1	0	315.337	0.340	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCCN(C)c2snc(C)c2C#N)c1[O-]	ZINC001100014662	763218321	/nfs/dbraw/zinc/21/83/21/763218321.db2.gz	SQUGVSCPZXHREC-UHFFFAOYSA-N	-1	0	320.378	0.927	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CC[C@H]2CCCO2)c1	ZINC000813984308	765299194	/nfs/dbraw/zinc/29/91/94/765299194.db2.gz	RMXKKOJAZOXJNG-LLVKDONJSA-N	-1	0	309.347	0.717	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@H](C)C[C@@H](C)NCC#N)cc1=O	ZINC001134912507	765732797	/nfs/dbraw/zinc/73/27/97/765732797.db2.gz	ABNKIICXYHEZIA-CHWSQXEVSA-N	-1	0	321.425	0.771	20	30		DCEDRM
CCOC(=O)c1n[nH]cc1/C=C/C(=O)c1cnc([O-])n(C)c1=O	ZINC001116301719	765858448	/nfs/dbraw/zinc/85/84/48/765858448.db2.gz	LCFCMTFTEZOJRY-SNAWJCMRSA-N	-1	0	318.289	0.282	20	30		DCEDRM
C[C@@H](Oc1cccc(C=Nn2c(=O)cn[nH]c2=S)c1)C(=O)[O-]	ZINC001116796379	765911797	/nfs/dbraw/zinc/91/17/97/765911797.db2.gz	ZTABBLZIRCHHKJ-MRVPVSSYSA-N	-1	0	320.330	0.661	20	30		DCEDRM
C=CC[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC001116906593	765926248	/nfs/dbraw/zinc/92/62/48/765926248.db2.gz	NYAMSIDHCDBZNK-NSHDSACASA-N	-1	0	302.286	0.428	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1NC	ZINC001117679505	766125550	/nfs/dbraw/zinc/12/55/50/766125550.db2.gz	ZULGVCWRZGHBPJ-UHFFFAOYSA-N	-1	0	311.319	0.719	20	30		DCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)CC(=O)[O-]	ZINC001118058728	766212597	/nfs/dbraw/zinc/21/25/97/766212597.db2.gz	ZMYUEOXPEGJVEP-VIFPVBQESA-N	-1	0	322.292	0.756	20	30		DCEDRM
C=CCn1cc(CNC(=O)C(=O)[N-]OCCC(F)(F)F)nn1	ZINC001118116581	766229021	/nfs/dbraw/zinc/22/90/21/766229021.db2.gz	ZTDUIGGXTWOGKI-UHFFFAOYSA-N	-1	0	321.259	0.081	20	30		DCEDRM
COC(=O)c1ccc(C(=N)Nc2cncc(C(=O)[O-])n2)cc1	ZINC001170981499	766344302	/nfs/dbraw/zinc/34/43/02/766344302.db2.gz	RHGLYSWSIBTGKD-UHFFFAOYSA-N	-1	0	300.274	0.998	20	30		DCEDRM
CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC001118855079	766450369	/nfs/dbraw/zinc/45/03/69/766450369.db2.gz	BOSKEFOXZDLJQM-NSHDSACASA-N	-1	0	315.395	0.287	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CN(C(C)=O)c1ccccc1	ZINC001119488151	766694557	/nfs/dbraw/zinc/69/45/57/766694557.db2.gz	UZANRZHEYSPZFK-UHFFFAOYSA-N	-1	0	308.359	0.509	20	30		DCEDRM
C=C(Cl)C[C@H](NC(=O)NCCCN1CCOCC1)C(=O)[O-]	ZINC001119577006	766735336	/nfs/dbraw/zinc/73/53/36/766735336.db2.gz	JTRQQTGCJYMPCM-NSHDSACASA-N	-1	0	319.789	0.604	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCCC(F)(F)C1	ZINC001121561584	767592087	/nfs/dbraw/zinc/59/20/87/767592087.db2.gz	IROBYTTUPYXQOH-UHFFFAOYSA-N	-1	0	310.308	0.924	20	30		DCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2cc(=O)n(C)[n-]2)n1CCOC	ZINC001122389656	767790532	/nfs/dbraw/zinc/79/05/32/767790532.db2.gz	IKFJPGATXGWDRO-SNVBAGLBSA-N	-1	0	304.354	0.489	20	30		DCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@@H]1CC[C@H]1OC	ZINC001122513620	767821002	/nfs/dbraw/zinc/82/10/02/767821002.db2.gz	XQHSQSGPIHXRGW-VXGBXAGGSA-N	-1	0	318.381	0.692	20	30		DCEDRM
C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)C#CC1CC1)C2	ZINC001091660019	767843425	/nfs/dbraw/zinc/84/34/25/767843425.db2.gz	ZMRNUXWIEDJMPA-WBMJQRKESA-N	-1	0	315.377	0.204	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(OCC(N)=O)c1	ZINC001122625138	767846321	/nfs/dbraw/zinc/84/63/21/767846321.db2.gz	LZVTYNNPHOGJLP-LBPRGKRZSA-N	-1	0	301.302	0.175	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(C(N)=O)cn1	ZINC001230893204	768903450	/nfs/dbraw/zinc/90/34/50/768903450.db2.gz	STKOOJZKXCJWLF-JTQLQIEISA-N	-1	0	316.335	0.018	20	30		DCEDRM
C#CC[C@@H](COC)NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001233928029	769496813	/nfs/dbraw/zinc/49/68/13/769496813.db2.gz	MHDSFMLPGAUYLL-QWRGUYRKSA-N	-1	0	307.354	0.438	20	30		DCEDRM
CC(C)(C)OC(=O)N1CC[C@@H](NCS(=O)(=O)[O-])C[C@H]1C#N	ZINC001172975857	769523313	/nfs/dbraw/zinc/52/33/13/769523313.db2.gz	KFBHPHXYLNRCRN-ZJUUUORDSA-N	-1	0	319.383	0.713	20	30		DCEDRM
COC(=O)c1n[n-]c(C(=O)OC)c1OC1=C(C)O[C@@H](C)C1=O	ZINC001234191140	769578939	/nfs/dbraw/zinc/57/89/39/769578939.db2.gz	WWVDJRHSJWBQPU-YFKPBYRVSA-N	-1	0	310.262	0.581	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nnccc1OC	ZINC001234416469	769651104	/nfs/dbraw/zinc/65/11/04/769651104.db2.gz	NQEXLIRRKJKYMT-VIFPVBQESA-N	-1	0	304.324	0.323	20	30		DCEDRM
CC(=O)O/N=C(/C)c1ccccc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001234841555	769720868	/nfs/dbraw/zinc/72/08/68/769720868.db2.gz	QOUWICDNUBSKLU-SHLUWWQESA-N	-1	0	309.274	0.715	20	30		DCEDRM
C#CCCOc1ccc(C(=O)N[C@@H](COC)c2nnn[n-]2)cc1	ZINC001155067752	770383464	/nfs/dbraw/zinc/38/34/64/770383464.db2.gz	BRWGMRXOJRTWAX-ZDUSSCGKSA-N	-1	0	315.333	0.719	20	30		DCEDRM
Cn1ccc(C(=O)N=C(NC#N)c2ccncc2)c1CC(=O)[O-]	ZINC001177370147	770419164	/nfs/dbraw/zinc/41/91/64/770419164.db2.gz	HMZBPBUQXBIZHT-UHFFFAOYSA-N	-1	0	311.301	0.705	20	30		DCEDRM
C=C(Cl)CN(CC)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001156617393	770874034	/nfs/dbraw/zinc/87/40/34/770874034.db2.gz	IWNHENIBGIDRLL-SECBINFHSA-N	-1	0	317.777	0.268	20	30		DCEDRM
N#CCNCCCCCCNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001178894880	770891371	/nfs/dbraw/zinc/89/13/71/770891371.db2.gz	MNVFJTPBKDKBQS-UHFFFAOYSA-N	-1	0	324.385	0.259	20	30		DCEDRM
N#CNC(=NC(=O)C(F)(F)C(F)(F)C(=O)[O-])c1ccncc1	ZINC001180176164	771068081	/nfs/dbraw/zinc/06/80/81/771068081.db2.gz	OPTOOERLASJSDG-UHFFFAOYSA-N	-1	0	318.186	0.781	20	30		DCEDRM
O=C(CCC(=O)N1CCN2C(=O)COC[C@H]2C1)C1=CC=C[CH]1	ZINC001184244716	771763418	/nfs/dbraw/zinc/76/34/18/771763418.db2.gz	XYQRTWDDBQSXJS-CYBMUJFWSA-N	-1	0	303.338	0.106	20	30		DCEDRM
CCOCCS(=O)(=O)[N-]c1c(C#N)cnc2c(C#N)cnn21	ZINC001187246587	772153025	/nfs/dbraw/zinc/15/30/25/772153025.db2.gz	QKHTWCZWUIGFDC-UHFFFAOYSA-N	-1	0	320.334	0.251	20	30		DCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187731019	772216085	/nfs/dbraw/zinc/21/60/85/772216085.db2.gz	WFHQVDCTKDWVGK-UHFFFAOYSA-N	-1	0	305.323	0.536	20	30		DCEDRM
N#CC1([N-]S(=O)(=O)c2ncc(F)cc2F)CCOCC1	ZINC001190205360	772606835	/nfs/dbraw/zinc/60/68/35/772606835.db2.gz	RUPQCVKLMAYNIC-UHFFFAOYSA-N	-1	0	303.290	0.711	20	30		DCEDRM
C[C@H]1CN(O)C(=O)[C@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1F	ZINC001190412640	772626349	/nfs/dbraw/zinc/62/63/49/772626349.db2.gz	HHNDDZSYIOOZRH-RRAGMBSWSA-N	-1	0	324.280	0.618	20	30		DCEDRM
N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccnc(C(N)=O)c2)c1	ZINC001190617797	772646352	/nfs/dbraw/zinc/64/63/52/772646352.db2.gz	QCOXZHKFNQONFF-UHFFFAOYSA-N	-1	0	320.305	0.414	20	30		DCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccncc1	ZINC001190916385	772698494	/nfs/dbraw/zinc/69/84/94/772698494.db2.gz	QWUATQNCWGOUEX-UHFFFAOYSA-N	-1	0	307.291	0.565	20	30		DCEDRM
N#Cc1cc(C(=O)NC(=N)SCCS(=O)(=O)[O-])ccn1	ZINC001191558244	772789444	/nfs/dbraw/zinc/78/94/44/772789444.db2.gz	QHDOTXRDKSTARE-UHFFFAOYSA-N	-1	0	314.348	0.239	20	30		DCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ncc(Br)nc1CO	ZINC001193111918	773006858	/nfs/dbraw/zinc/00/68/58/773006858.db2.gz	MRPJEWCHWSISTK-YFKPBYRVSA-N	-1	0	321.156	0.385	20	30		DCEDRM
COC(=O)C[C@@H]1CN(C(=O)c2ccc([O-])c(C#N)c2)CCO1	ZINC001193504071	773075469	/nfs/dbraw/zinc/07/54/69/773075469.db2.gz	LZAJPPMLNJJCTH-GFCCVEGCSA-N	-1	0	304.302	0.668	20	30		DCEDRM
CCOC(=O)[C@H]1CN(C(=O)c2ccc([O-])c(C#N)c2)CCO1	ZINC001193505547	773076413	/nfs/dbraw/zinc/07/64/13/773076413.db2.gz	ZQIUVCZLIHLARC-CYBMUJFWSA-N	-1	0	304.302	0.668	20	30		DCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)Cc1noc2ccccc12	ZINC001194119963	773150573	/nfs/dbraw/zinc/15/05/73/773150573.db2.gz	VSGMHXYIZGLIDZ-JTQLQIEISA-N	-1	0	323.330	0.702	20	30		DCEDRM
N#CC1CN(S(=O)(=O)c2ccccc2C(=O)[O-])CCC1=O	ZINC001198762278	773976084	/nfs/dbraw/zinc/97/60/84/773976084.db2.gz	DHWUWOOQRGMICD-SECBINFHSA-N	-1	0	308.315	0.488	20	30		DCEDRM
C=CCN([C@@H](C)COC)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000691827509	774763299	/nfs/dbraw/zinc/76/32/99/774763299.db2.gz	XRRQBDBLAVOFBE-VIFPVBQESA-N	-1	0	302.352	0.925	20	30		DCEDRM
C=CCC[C@H](NC(=O)[C@H]1CCCN1c1ncccn1)C(=O)[O-]	ZINC000316380931	774949130	/nfs/dbraw/zinc/94/91/30/774949130.db2.gz	SWMWJBJPJLDUJZ-NWDGAFQWSA-N	-1	0	304.350	0.981	20	30		DCEDRM
COCC#CCN1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1	ZINC001221481724	775120342	/nfs/dbraw/zinc/12/03/42/775120342.db2.gz	GIVITZKQDWZDFK-CHWSQXEVSA-N	-1	0	318.377	0.220	20	30		DCEDRM
CC(C)C#CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001221533533	775143636	/nfs/dbraw/zinc/14/36/36/775143636.db2.gz	MSELQXKOQLBOQH-VXGBXAGGSA-N	-1	0	303.366	0.202	20	30		DCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCOCCOCC	ZINC001225033504	775632715	/nfs/dbraw/zinc/63/27/15/775632715.db2.gz	WZPHKTZQTSSJNU-GFCCVEGCSA-N	-1	0	312.384	0.515	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncnc2n[nH]cc21	ZINC001225565141	775694483	/nfs/dbraw/zinc/69/44/83/775694483.db2.gz	NNFONBCIGYHEAA-QMMMGPOBSA-N	-1	0	314.323	0.191	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001226447770	775819297	/nfs/dbraw/zinc/81/92/97/775819297.db2.gz	PZXZMASACWIMFS-LLVKDONJSA-N	-1	0	323.397	0.572	20	30		DCEDRM
COC(=O)c1[n-]c(=O)nc(O[C@@H]2CC[C@H](C#N)C2)c1[N+](=O)[O-]	ZINC001226653462	775856077	/nfs/dbraw/zinc/85/60/77/775856077.db2.gz	VETPWRYUCAYRCQ-NKWVEPMBSA-N	-1	0	308.250	0.948	20	30		DCEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114722269	776072393	/nfs/dbraw/zinc/07/23/93/776072393.db2.gz	FFIMTSIDGWEPMU-MEWQQHAOSA-N	-1	0	305.382	0.659	20	30		DCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nc(C)[nH]c(=O)c1C	ZINC001229685788	776213057	/nfs/dbraw/zinc/21/30/57/776213057.db2.gz	OLXCTYMWWDIIEU-JTQLQIEISA-N	-1	0	318.351	0.637	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CCOC[C@H]2C#N)cc1C(=O)[O-]	ZINC001600745489	1168273180	/nfs/dbraw/zinc/27/31/80/1168273180.db2.gz	PKPVHWIKXKLJRQ-SECBINFHSA-N	-1	0	311.319	0.001	20	30		DCEDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@](F)(C#N)C1	ZINC001600833947	1168479526	/nfs/dbraw/zinc/47/95/26/1168479526.db2.gz	SYVJOAMGHYUVGY-LLVKDONJSA-N	-1	0	302.283	0.913	20	30		DCEDRM
C=CCN1CC2(CN(Cc3ccc(C(=O)[O-])cc3)C2)OCC1=O	ZINC001272969836	945160403	/nfs/dbraw/zinc/16/04/03/945160403.db2.gz	VYLCNRALEWFZHJ-UHFFFAOYSA-N	-1	0	316.357	0.984	20	30		DCEDRM
CCCN(C(=O)C#CC(C)C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001267460771	939462227	/nfs/dbraw/zinc/46/22/27/939462227.db2.gz	YTFFQWFOJGLXBU-CYBMUJFWSA-N	-1	0	319.409	0.983	20	30		DCEDRM
C=CCOCC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001267923730	939706105	/nfs/dbraw/zinc/70/61/05/939706105.db2.gz	BSJVZANPXOOLDZ-GFCCVEGCSA-N	-1	0	308.382	0.821	20	30		DCEDRM
CN1C[C@@]2(F)CN(C(=O)CCC(=O)C3=CC=C[CH]3)C[C@@]2(F)C1=O	ZINC001271441482	941376416	/nfs/dbraw/zinc/37/64/16/941376416.db2.gz	DCBKDHUDIJEICS-HZPDHXFCSA-N	-1	0	323.319	0.767	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@@H](CC(N)=O)C2CCCCC2)c(C#N)c1=O	ZINC001412879448	942126330	/nfs/dbraw/zinc/12/63/30/942126330.db2.gz	LVWCXOOKMUNYIJ-NSHDSACASA-N	-1	0	319.365	0.181	20	30		DCEDRM
CCn1nnc(C)c1CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001413176612	942545174	/nfs/dbraw/zinc/54/51/74/942545174.db2.gz	AZVBARSZINPOIJ-UHFFFAOYSA-N	-1	0	300.322	0.817	20	30		DCEDRM
CCCc1[nH]ccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413306437	942617958	/nfs/dbraw/zinc/61/79/58/942617958.db2.gz	AKSSXIQFFLBJNR-UHFFFAOYSA-N	-1	0	315.333	0.531	20	30		DCEDRM
CC(C)CCO[C@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413307225	942618348	/nfs/dbraw/zinc/61/83/48/942618348.db2.gz	HHSAIIAWHQLDSI-LLVKDONJSA-N	-1	0	322.365	0.388	20	30		DCEDRM
CCC[C@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)OCC	ZINC001413320740	942888169	/nfs/dbraw/zinc/88/81/69/942888169.db2.gz	XVWIKFTYQTYBRL-GFCCVEGCSA-N	-1	0	322.365	0.532	20	30		DCEDRM
Cc1cc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)cnc1C	ZINC001413480673	943010674	/nfs/dbraw/zinc/01/06/74/943010674.db2.gz	KTKSRHWKLFENFQ-UHFFFAOYSA-N	-1	0	313.317	0.861	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)c1[O-]	ZINC001056172146	943239680	/nfs/dbraw/zinc/23/96/80/943239680.db2.gz	JYIZIVQDUZZKKN-ITGUQSILSA-N	-1	0	324.344	0.555	20	30		DCEDRM
N#CCN1CCC[C@@H](CNC(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC001611291379	970977188	/nfs/dbraw/zinc/97/71/88/970977188.db2.gz	SRXKCIBUHSYSME-JTQLQIEISA-N	-1	0	303.322	0.140	20	30		DCEDRM
CC#CCCCC(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001484599872	943468126	/nfs/dbraw/zinc/46/81/26/943468126.db2.gz	LRCNVFSLOMVGNG-LBPRGKRZSA-N	-1	0	321.381	0.021	20	30		DCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)c(=O)[n-]c1=O	ZINC001413779681	944086928	/nfs/dbraw/zinc/08/69/28/944086928.db2.gz	YXDUKFQXZKZODH-MVWJERBFSA-N	-1	0	302.334	0.515	20	30		DCEDRM
C#C[C@H](CO)NC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-]	ZINC001141495996	944146552	/nfs/dbraw/zinc/14/65/52/944146552.db2.gz	KLASUBQEVFHFHD-SNVBAGLBSA-N	-1	0	301.302	0.310	20	30		DCEDRM
CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC001320087174	945735725	/nfs/dbraw/zinc/73/57/25/945735725.db2.gz	AMCUKVBFYOJZOD-UHFFFAOYSA-N	-1	0	315.395	0.433	20	30		DCEDRM
CCS(=O)(=O)[N-]c1c(C#N)c(CCCNC(C)=O)nn1C	ZINC001320689819	945977375	/nfs/dbraw/zinc/97/73/75/945977375.db2.gz	LGBCNXKGTMGBGU-UHFFFAOYSA-N	-1	0	313.383	0.122	20	30		DCEDRM
N#Cc1ccccc1-c1cn(CCOCCOCC(=O)[O-])nn1	ZINC001254090688	946314770	/nfs/dbraw/zinc/31/47/70/946314770.db2.gz	SZAKEGBKGQHYRP-UHFFFAOYSA-N	-1	0	316.317	0.935	20	30		DCEDRM
C=CCC(C)(C)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001278811022	946425528	/nfs/dbraw/zinc/42/55/28/946425528.db2.gz	PTUZONDDXQZRQA-HNNXBMFYSA-N	-1	0	323.397	0.166	20	30		DCEDRM
Cn1cc(C[C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-])cn1	ZINC001255243355	946482198	/nfs/dbraw/zinc/48/21/98/946482198.db2.gz	PKQFDBONMAZNNW-NSHDSACASA-N	-1	0	314.367	0.029	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnn([C@@H](C)CC)c1C	ZINC001602679915	971263145	/nfs/dbraw/zinc/26/31/45/971263145.db2.gz	ZORYMIVUFGNOHA-JTQLQIEISA-N	-1	0	320.349	0.647	20	30		DCEDRM
CCOC(=O)c1nonc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC001258196284	946808702	/nfs/dbraw/zinc/80/87/02/946808702.db2.gz	FDKCKGAGXMAPBR-UHFFFAOYSA-N	-1	0	322.302	0.919	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCN(C)C(=O)OC(C)(C)C	ZINC001602686002	971284067	/nfs/dbraw/zinc/28/40/67/971284067.db2.gz	NBMSBYSFXJQTEF-UHFFFAOYSA-N	-1	0	313.354	0.583	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C	ZINC001602691586	971296322	/nfs/dbraw/zinc/29/63/22/971296322.db2.gz	NXADHAVUPNJEJG-LLVKDONJSA-N	-1	0	310.350	0.932	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCS(=O)(=O)[O-])c(Cl)c1	ZINC001259115015	946915897	/nfs/dbraw/zinc/91/58/97/946915897.db2.gz	PSSKRNRLOXLWJG-UHFFFAOYSA-N	-1	0	310.740	0.335	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(S(C)(=O)=O)ccc1CC	ZINC001602691772	971298717	/nfs/dbraw/zinc/29/87/17/971298717.db2.gz	YLJIBDPEWAVDAD-UHFFFAOYSA-N	-1	0	323.370	0.813	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(S(=O)(=O)CC)c1	ZINC001602692712	971305262	/nfs/dbraw/zinc/30/52/62/971305262.db2.gz	WNHILKCRLAGMHG-UHFFFAOYSA-N	-1	0	309.343	0.640	20	30		DCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)CCc1ccccc1F	ZINC001259789828	946986048	/nfs/dbraw/zinc/98/60/48/946986048.db2.gz	QCVFFVMJDCKRBZ-GFCCVEGCSA-N	-1	0	314.338	0.743	20	30		DCEDRM
C=CCS(=O)(=O)N[C@@H](CC(=O)OC)C(=O)OC(C)(C)C	ZINC001259933966	947024796	/nfs/dbraw/zinc/02/47/96/947024796.db2.gz	AFSKQTJVASVBKH-VIFPVBQESA-N	-1	0	307.368	0.365	20	30		DCEDRM
Cc1nc([N-]S(=O)(=O)c2ccn(C)n2)c(C#N)cc1C#N	ZINC001259938803	947030523	/nfs/dbraw/zinc/03/05/23/947030523.db2.gz	VEZZHTUIIDXTPE-UHFFFAOYSA-N	-1	0	302.319	0.668	20	30		DCEDRM
CNC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)CCOC	ZINC001259972704	947043750	/nfs/dbraw/zinc/04/37/50/947043750.db2.gz	SUQPHMZJLCOFFX-UHFFFAOYSA-N	-1	0	311.363	0.614	20	30		DCEDRM
C#Cc1cc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccn1	ZINC001260393374	947098328	/nfs/dbraw/zinc/09/83/28/947098328.db2.gz	XGZIBBUMGQHNJV-UHFFFAOYSA-N	-1	0	318.310	0.689	20	30		DCEDRM
CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)CS(C)(=O)=O	ZINC001260584384	947113638	/nfs/dbraw/zinc/11/36/38/947113638.db2.gz	ZWQHFZYCITUICM-UHFFFAOYSA-N	-1	0	320.396	0.254	20	30		DCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1c(Cl)cccc1C#N	ZINC001260591996	947121774	/nfs/dbraw/zinc/12/17/74/947121774.db2.gz	WZTWVNYRURZEJI-UHFFFAOYSA-N	-1	0	308.768	0.955	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](C)c2cnccn2)n1CC	ZINC001602701097	971326395	/nfs/dbraw/zinc/32/63/95/971326395.db2.gz	VYFJSEORZLRRNG-NSHDSACASA-N	-1	0	314.349	0.764	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)[C@]1(C(=O)[O-])CCCO1	ZINC001602704869	971338635	/nfs/dbraw/zinc/33/86/35/971338635.db2.gz	YTQGBRRTNDNUJO-INIZCTEOSA-N	-1	0	303.314	0.949	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)nc2)CC1	ZINC001261204803	947220609	/nfs/dbraw/zinc/22/06/09/947220609.db2.gz	FPNMFONFHDDYBZ-UHFFFAOYSA-N	-1	0	309.347	0.349	20	30		DCEDRM
C=C(C)Cn1c([C@@H](C)O)nnc1N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001602712236	971354564	/nfs/dbraw/zinc/35/45/64/971354564.db2.gz	KUUVTGKQRHFLLI-IAQYHMDHSA-N	-1	0	324.381	0.835	20	30		DCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)/C=C/c1ccncn1	ZINC001324286909	947377619	/nfs/dbraw/zinc/37/76/19/947377619.db2.gz	KIQZRFBVVNRJJS-AATRIKPKSA-N	-1	0	314.326	0.867	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(C(=O)[O-])C2)cc1	ZINC001602723163	971394518	/nfs/dbraw/zinc/39/45/18/971394518.db2.gz	QEAJDHVRMYUIRK-UHFFFAOYSA-N	-1	0	324.358	0.308	20	30		DCEDRM
C=CCNC(=O)C[N@H+]1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001602723240	971395355	/nfs/dbraw/zinc/39/53/55/971395355.db2.gz	XFASJIOGBGYCDZ-NEPJUHHUSA-N	-1	0	306.366	0.212	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1CCC(S(C)(=O)=O)CC1	ZINC001262098591	947562040	/nfs/dbraw/zinc/56/20/40/947562040.db2.gz	LEEMVZUPNHPALA-UHFFFAOYSA-N	-1	0	309.409	0.222	20	30		DCEDRM
C#Cc1cnc([N-]S(=O)(=O)CCCCC(=O)OC)c(C#C)n1	ZINC001196922807	948055819	/nfs/dbraw/zinc/05/58/19/948055819.db2.gz	TZVFYHKTJCFYNQ-UHFFFAOYSA-N	-1	0	321.358	0.524	20	30		DCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1	ZINC001326324826	948129100	/nfs/dbraw/zinc/12/91/00/948129100.db2.gz	CUJDYJQFXRZSKS-SECBINFHSA-N	-1	0	300.336	0.679	20	30		DCEDRM
C=CCC1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCOCC1	ZINC001326597578	948210724	/nfs/dbraw/zinc/21/07/24/948210724.db2.gz	VCTFVMMEQAHIMM-NSHDSACASA-N	-1	0	307.354	0.473	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1cccc(C#N)c1C)[C@@H](C)C(=O)[O-]	ZINC001602758125	971475333	/nfs/dbraw/zinc/47/53/33/971475333.db2.gz	WVBWUADFYRLDFS-NSHDSACASA-N	-1	0	317.345	0.918	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NS(=O)(=O)c2ccsc2-c2nnn[n-]2)C1	ZINC001570923008	948652792	/nfs/dbraw/zinc/65/27/92/948652792.db2.gz	RNWCKBDRLZYRLO-JGVFFNPUSA-N	-1	0	324.391	0.899	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CC[C@H](O)[C@H]3CCCC[C@H]32)c(C#N)c1=O	ZINC001364585980	949594121	/nfs/dbraw/zinc/59/41/21/949594121.db2.gz	QMKKWFUOKRCUES-WCQGTBRESA-N	-1	0	304.350	0.075	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C2CCOCC2)nn1C	ZINC001329487182	949632695	/nfs/dbraw/zinc/63/26/95/949632695.db2.gz	WCXVQWYPRMXUJL-JTQLQIEISA-N	-1	0	322.365	0.875	20	30		DCEDRM
N#Cc1cn(CCNC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c(=O)[n-]c1=O	ZINC001364692719	949766604	/nfs/dbraw/zinc/76/66/04/949766604.db2.gz	DNKNSFSQHFMYSB-JBLDHEPKSA-N	-1	0	317.349	0.308	20	30		DCEDRM
C[C@@H](C[S@@](C)=O)N(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364693724	949772318	/nfs/dbraw/zinc/77/23/18/949772318.db2.gz	LIAZYXGATHIEFY-JLTPVHFHSA-N	-1	0	307.379	0.505	20	30		DCEDRM
Cn1ncc(C(F)(F)F)c1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001329809251	949889351	/nfs/dbraw/zinc/88/93/51/949889351.db2.gz	NFCNJLPLHCPQKD-UHFFFAOYSA-N	-1	0	324.284	0.802	20	30		DCEDRM
C[C@H]1CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)[C@@H]1CCO	ZINC001576180268	949950545	/nfs/dbraw/zinc/95/05/45/949950545.db2.gz	OLVLZDMRXGWYJU-GXSJLCMTSA-N	-1	0	314.353	0.516	20	30		DCEDRM
C=CCCCC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001330327551	950278764	/nfs/dbraw/zinc/27/87/64/950278764.db2.gz	LJSWITCKCTWGLL-CNDDSTCGSA-N	-1	0	305.382	0.661	20	30		DCEDRM
CC(C)(C)NC(=O)CCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001573854947	950359258	/nfs/dbraw/zinc/35/92/58/950359258.db2.gz	IVBZKPXZIFSJIM-UHFFFAOYSA-N	-1	0	315.341	0.245	20	30		DCEDRM
CCOC(=O)[C@@]1(C)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC001590179358	950867239	/nfs/dbraw/zinc/86/72/39/950867239.db2.gz	YQCMORBIGKJAPZ-ZIAGYGMSSA-N	-1	0	312.322	0.172	20	30		DCEDRM
C#CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1	ZINC000328347547	951125160	/nfs/dbraw/zinc/12/51/60/951125160.db2.gz	OIPCHCVTYKXGBB-TUAOUCFPSA-N	-1	0	313.375	0.136	20	30		DCEDRM
CC1(C)CC[C@@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001365570754	951278055	/nfs/dbraw/zinc/27/80/55/951278055.db2.gz	HYQJALBMSORLKN-LLVKDONJSA-N	-1	0	319.365	0.698	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-]	ZINC001331828826	951345002	/nfs/dbraw/zinc/34/50/02/951345002.db2.gz	ZTZRASQCSHOVSO-GHMZBOCLSA-N	-1	0	315.391	0.737	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	ZINC001332129228	951492607	/nfs/dbraw/zinc/49/26/07/951492607.db2.gz	YHXVWGDAHQYIML-NEPJUHHUSA-N	-1	0	310.350	0.113	20	30		DCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)CCCc2nnn[n-]2)CC1	ZINC001411732196	952415036	/nfs/dbraw/zinc/41/50/36/952415036.db2.gz	DCVAPGLOWGNYER-LBPRGKRZSA-N	-1	0	305.386	0.215	20	30		DCEDRM
CO[C@@H]1CN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C[C@H]1O	ZINC001412141978	952663238	/nfs/dbraw/zinc/66/32/38/952663238.db2.gz	UQLVFZSQPOXIMJ-NXEZZACHSA-N	-1	0	309.347	0.212	20	30		DCEDRM
N#Cc1cn(CCNC(=O)CC[C@H]2CCCCO2)c(=O)[n-]c1=O	ZINC001412370634	952767360	/nfs/dbraw/zinc/76/73/60/952767360.db2.gz	DTFQRRITTLQOQC-GFCCVEGCSA-N	-1	0	320.349	0.286	20	30		DCEDRM
CNC(=O)C1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001412382353	952771636	/nfs/dbraw/zinc/77/16/36/952771636.db2.gz	FMJGZXJPSBEILU-UHFFFAOYSA-N	-1	0	302.334	0.566	20	30		DCEDRM
C[C@@H](c1ccco1)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412383977	952772458	/nfs/dbraw/zinc/77/24/58/952772458.db2.gz	WMYBBCAYEJLMDR-VIFPVBQESA-N	-1	0	302.290	0.633	20	30		DCEDRM
CC[C@@H]1CCC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001412578901	952910388	/nfs/dbraw/zinc/91/03/88/952910388.db2.gz	QJILWGDWOKJEMB-ZYHUDNBSSA-N	-1	0	304.350	0.906	20	30		DCEDRM
N#Cc1cc(C(=O)N2CC3(C2)SCC[C@H]3C(N)=O)ccc1[O-]	ZINC001276156575	952952569	/nfs/dbraw/zinc/95/25/69/952952569.db2.gz	UTVSJJPKNNGKFO-NSHDSACASA-N	-1	0	317.370	0.697	20	30		DCEDRM
N#Cc1cc(C(=O)N2CC3(C2)CCOC[C@H]3C(N)=O)ccc1[O-]	ZINC001276155797	952952940	/nfs/dbraw/zinc/95/29/40/952952940.db2.gz	JUYWADHKMVZPGT-LBPRGKRZSA-N	-1	0	315.329	0.228	20	30		DCEDRM
O=C(CSc1n[nH]c(=O)[n-]1)N1CCC2(CC1)CC(=O)C=CO2	ZINC001412741580	953036516	/nfs/dbraw/zinc/03/65/16/953036516.db2.gz	WLQDBIZUZWHKHK-UHFFFAOYSA-N	-1	0	324.362	0.467	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CC1CCOCC1	ZINC001338946302	953063334	/nfs/dbraw/zinc/06/33/34/953063334.db2.gz	OFLMKJHZYDUWHF-UHFFFAOYSA-N	-1	0	318.381	0.551	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(CC)[C@H]1CCCOC1	ZINC001339710414	953114654	/nfs/dbraw/zinc/11/46/54/953114654.db2.gz	QTTRQGZBKPSRGH-NSHDSACASA-N	-1	0	318.381	0.693	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(Cc2ccccn2)nn1	ZINC001341899489	953257763	/nfs/dbraw/zinc/25/77/63/953257763.db2.gz	SKDHEIICCKSWFN-GFCCVEGCSA-N	-1	0	310.317	0.346	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H](C)O[C@@H](C)C1	ZINC001342240962	953278435	/nfs/dbraw/zinc/27/84/35/953278435.db2.gz	IUARYWHWTGOJNF-AOOOYVTPSA-N	-1	0	304.354	0.302	20	30		DCEDRM
Cc1cocc1C([O-])=C(C#N)C(=O)N1CCS(=O)(=O)CC1	ZINC001343410986	953344678	/nfs/dbraw/zinc/34/46/78/953344678.db2.gz	JZVBYYSYYLRPGX-JTQLQIEISA-N	-1	0	310.331	0.168	20	30		DCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)c2nccn2C)n1	ZINC001344005031	953405307	/nfs/dbraw/zinc/40/53/07/953405307.db2.gz	NBFKIWYSQSQLEY-SECBINFHSA-N	-1	0	311.301	0.380	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NC2CCN(CC#N)CC2)C1	ZINC001589273749	953439704	/nfs/dbraw/zinc/43/97/04/953439704.db2.gz	GGJWBALXIHLBOV-RYUDHWBXSA-N	-1	0	308.382	0.727	20	30		DCEDRM
N#Cc1cccc(-n2ccc(C(=O)NCc3nc(=O)o[n-]3)n2)c1	ZINC001344549081	953494775	/nfs/dbraw/zinc/49/47/75/953494775.db2.gz	LLIHKOLIHCMYCR-UHFFFAOYSA-N	-1	0	310.273	0.350	20	30		DCEDRM
CN(C)C[C@](C)(C#N)NC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001593692555	954051554	/nfs/dbraw/zinc/05/15/54/954051554.db2.gz	ZIKKAYAYETZWST-HNNXBMFYSA-N	-1	0	305.334	0.724	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCCCC(=O)[O-]	ZINC001593760968	954491412	/nfs/dbraw/zinc/49/14/12/954491412.db2.gz	FDHZUFZBIGHODP-UHFFFAOYSA-N	-1	0	317.345	0.888	20	30		DCEDRM
COC(=O)C1CC2(C1)CN(C(=O)NCCCC#N)C[C@H]2C(=O)[O-]	ZINC001593821560	955043484	/nfs/dbraw/zinc/04/34/84/955043484.db2.gz	LQXPIQFLNZYLNU-VTWZXRTESA-N	-1	0	323.349	0.586	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(COC)CC1	ZINC001351852930	955435166	/nfs/dbraw/zinc/43/51/66/955435166.db2.gz	YBPDYYQZATWCOI-UHFFFAOYSA-N	-1	0	318.381	0.551	20	30		DCEDRM
CC(C)C[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)CC(=O)[O-]	ZINC001603042168	972104683	/nfs/dbraw/zinc/10/46/83/972104683.db2.gz	HILHBQAIPYSPRQ-MNOVXSKESA-N	-1	0	307.354	0.964	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1	ZINC001593905251	955903751	/nfs/dbraw/zinc/90/37/51/955903751.db2.gz	OSYRROSTIPBSEI-AAEUAGOBSA-N	-1	0	318.333	0.456	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC001594588918	956029678	/nfs/dbraw/zinc/02/96/78/956029678.db2.gz	MZIWAWKUPRIUBM-LBPRGKRZSA-N	-1	0	306.322	0.372	20	30		DCEDRM
N#CC[C@@H]1CCCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001594605793	956172601	/nfs/dbraw/zinc/17/26/01/956172601.db2.gz	IPPPUKAGSKLKAG-JTQLQIEISA-N	-1	0	316.317	0.871	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)C#CC(C)C)C2)c1[O-]	ZINC001353751741	956173884	/nfs/dbraw/zinc/17/38/84/956173884.db2.gz	MYRJAAWABBUABX-PHIMTYICSA-N	-1	0	304.350	0.460	20	30		DCEDRM
N#CC1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	ZINC001594605927	956174418	/nfs/dbraw/zinc/17/44/18/956174418.db2.gz	MEFQHVZTFAAORS-QWHCGFSZSA-N	-1	0	319.361	0.318	20	30		DCEDRM
N#CCN1CCC(NC(=O)C2(C(=O)[O-])CCSCC2)CC1	ZINC001594610223	956201382	/nfs/dbraw/zinc/20/13/82/956201382.db2.gz	SVSQMCALKWBPKU-UHFFFAOYSA-N	-1	0	311.407	0.689	20	30		DCEDRM
N#CCCN1CCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1	ZINC001594610458	956203720	/nfs/dbraw/zinc/20/37/20/956203720.db2.gz	ULNSDJFFNFTRTR-CYBMUJFWSA-N	-1	0	308.382	0.728	20	30		DCEDRM
N#Cc1ccc(N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)nc1	ZINC001594621605	956287657	/nfs/dbraw/zinc/28/76/57/956287657.db2.gz	OBFGGOPPAIOHJH-UHFFFAOYSA-N	-1	0	300.318	0.467	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1	ZINC001594626424	956317035	/nfs/dbraw/zinc/31/70/35/956317035.db2.gz	ZLODQFVSLPJJIP-LBPRGKRZSA-N	-1	0	316.317	0.149	20	30		DCEDRM
N#Cc1ccsc1NC(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001594631865	956346382	/nfs/dbraw/zinc/34/63/82/956346382.db2.gz	PHERRYQIZTWXIB-UHFFFAOYSA-N	-1	0	307.331	0.881	20	30		DCEDRM
N#Cc1cccnc1NCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001594632166	956350442	/nfs/dbraw/zinc/35/04/42/956350442.db2.gz	VYXSTHBOEJJEIS-XYPYZODXSA-N	-1	0	303.322	0.528	20	30		DCEDRM
C[C@@H](OC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C(=O)NC1(C#N)CCC1	ZINC001589159300	956393842	/nfs/dbraw/zinc/39/38/42/956393842.db2.gz	KUILSLSAXXQCPW-OUAUKWLOSA-N	-1	0	308.334	0.981	20	30		DCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)Cc2noc(C)c2C#N)C1	ZINC001593962590	956503477	/nfs/dbraw/zinc/50/34/77/956503477.db2.gz	GHISSSMOKHYDOE-AWEZNQCLSA-N	-1	0	307.306	0.347	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001354809865	956514169	/nfs/dbraw/zinc/51/41/69/956514169.db2.gz	BDMXOWPKBXAOQS-LLVKDONJSA-N	-1	0	322.365	0.205	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccn(C2CCOCC2)n1	ZINC001356131660	956781767	/nfs/dbraw/zinc/78/17/67/956781767.db2.gz	PLAUMNZLSCTEIC-GFCCVEGCSA-N	-1	0	302.334	0.859	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC(C#N)CC2)C1	ZINC001589265733	957077975	/nfs/dbraw/zinc/07/79/75/957077975.db2.gz	JPYDPXQNEPYRHT-JQWIXIFHSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@@H](CC)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001356893535	957120405	/nfs/dbraw/zinc/12/04/05/957120405.db2.gz	OHWKNKGPCJFUDZ-SECBINFHSA-N	-1	0	323.353	0.264	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCOC[C@H]1CCOC1	ZINC001292923053	957203881	/nfs/dbraw/zinc/20/38/81/957203881.db2.gz	PLBJFDZWRXOGQK-NSHDSACASA-N	-1	0	305.334	0.750	20	30		DCEDRM
O=C([O-])CCCCCNC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001254352108	957251793	/nfs/dbraw/zinc/25/17/93/957251793.db2.gz	IVPFDIHVXRQXCF-CCEZHUSRSA-N	-1	0	323.349	0.664	20	30		DCEDRM
N#Cc1c[n-]n2c1nc(CN1CC(=O)N(CC3CC3)C1)cc2=O	ZINC001413987645	957479359	/nfs/dbraw/zinc/47/93/59/957479359.db2.gz	UIJYGRKLZHXZJP-UHFFFAOYSA-N	-1	0	312.333	0.318	20	30		DCEDRM
COCCn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001594024870	957701358	/nfs/dbraw/zinc/70/13/58/957701358.db2.gz	YXKBDJMPLFGRDY-GRYCIOLGSA-N	-1	0	319.365	0.853	20	30		DCEDRM
CN1c2ccc(Nc3[n-]c(=O)n(C)c(=O)c3C#N)cc2CC1=O	ZINC001413889130	957789773	/nfs/dbraw/zinc/78/97/73/957789773.db2.gz	AUBLMCFRBFUMSO-UHFFFAOYSA-N	-1	0	311.301	0.208	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC001335693119	957820382	/nfs/dbraw/zinc/82/03/82/957820382.db2.gz	YHXVWGDAHQYIML-RYUDHWBXSA-N	-1	0	310.350	0.113	20	30		DCEDRM
CON=CC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-]	ZINC001594042317	957885580	/nfs/dbraw/zinc/88/55/80/957885580.db2.gz	JVPGUFWDRGAWKK-NSHDSACASA-N	-1	0	308.290	0.322	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588391498	958023580	/nfs/dbraw/zinc/02/35/80/958023580.db2.gz	IKZUJYYNIPAZCN-LBPRGKRZSA-N	-1	0	318.329	0.143	20	30		DCEDRM
C#CC[C@H]1NC(=O)N(C[C@@](C)(C(=O)[O-])c2ccccc2)C1=O	ZINC001588392164	958030553	/nfs/dbraw/zinc/03/05/53/958030553.db2.gz	URRGTGGDVOWESJ-MLGOLLRUSA-N	-1	0	300.314	0.973	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(Cl)ccc1F	ZINC001588395143	958037435	/nfs/dbraw/zinc/03/74/35/958037435.db2.gz	JXGAKUQVRATLDI-UHFFFAOYSA-N	-1	0	312.684	0.964	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cncc(Cl)c1C	ZINC001588397461	958057751	/nfs/dbraw/zinc/05/77/51/958057751.db2.gz	JBKZDYMAMKIQBR-UHFFFAOYSA-N	-1	0	309.709	0.528	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(CC(F)(F)F)C1=O	ZINC001588399764	958075603	/nfs/dbraw/zinc/07/56/03/958075603.db2.gz	OWQKXCUATNWPHW-SECBINFHSA-N	-1	0	320.267	0.334	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC001588400388	958081386	/nfs/dbraw/zinc/08/13/86/958081386.db2.gz	WRIDHFDOVZJMAV-GFCCVEGCSA-N	-1	0	300.314	0.586	20	30		DCEDRM
COCC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(N)=O	ZINC001361570429	958095888	/nfs/dbraw/zinc/09/58/88/958095888.db2.gz	CLSBMENWOGIKOY-SECBINFHSA-N	-1	0	324.362	0.001	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cccnc1N1CCCC1	ZINC001588409229	958124269	/nfs/dbraw/zinc/12/42/69/958124269.db2.gz	STSFEVABUGKBJB-UHFFFAOYSA-N	-1	0	316.361	0.911	20	30		DCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](CC(=O)OCC)C(F)(F)F	ZINC001588410055	958135490	/nfs/dbraw/zinc/13/54/90/958135490.db2.gz	ONUJINBGCUKIBS-QMMMGPOBSA-N	-1	0	324.255	0.600	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)NCC[C@@H]2CNC(=O)C2)cc1C#N	ZINC001361619779	958143009	/nfs/dbraw/zinc/14/30/09/958143009.db2.gz	PFRPKAHDMZUJNE-QMMMGPOBSA-N	-1	0	320.374	0.637	20	30		DCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC001588420397	958205226	/nfs/dbraw/zinc/20/52/26/958205226.db2.gz	XWOOEXNQVJYLAL-SECBINFHSA-N	-1	0	316.317	0.615	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnns2)n1CC1CC1	ZINC001588426666	958230230	/nfs/dbraw/zinc/23/02/30/958230230.db2.gz	WLCXAJRHDBYZBS-UHFFFAOYSA-N	-1	0	318.362	0.731	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C[C@@H](O)c2cccnc2)n1C	ZINC001588426807	958234336	/nfs/dbraw/zinc/23/43/36/958234336.db2.gz	COSZYUXCWRPCCX-GFCCVEGCSA-N	-1	0	315.333	0.010	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCCc3n[nH]cc32)n1C	ZINC001588427016	958238278	/nfs/dbraw/zinc/23/82/78/958238278.db2.gz	KARGHTCQLOTLGW-SNVBAGLBSA-N	-1	0	314.349	0.531	20	30		DCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(F)F)n1C[C@@H]1CCCO1	ZINC001588427336	958244795	/nfs/dbraw/zinc/24/47/95/958244795.db2.gz	UNOVIHUGNDBAEN-VIFPVBQESA-N	-1	0	314.292	0.919	20	30		DCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588427447	958246019	/nfs/dbraw/zinc/24/60/19/958246019.db2.gz	YFQPXISVUMSJOR-HNNXBMFYSA-N	-1	0	308.334	0.794	20	30		DCEDRM
C#CCN1CCC[C@@H](NC(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001588430190	958253609	/nfs/dbraw/zinc/25/36/09/958253609.db2.gz	JNOTUETXSITWFY-GFCCVEGCSA-N	-1	0	302.334	0.999	20	30		DCEDRM
C#CCN1CCC[C@H]1c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1C	ZINC001588430859	958262392	/nfs/dbraw/zinc/26/23/92/958262392.db2.gz	PXPRNZWHPHRUEW-OLZOCXBDSA-N	-1	0	317.393	0.886	20	30		DCEDRM
C#CCn1cc(CNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cn1	ZINC001588433327	958296353	/nfs/dbraw/zinc/29/63/53/958296353.db2.gz	OZPAWHQNTJOKKJ-STQMWFEESA-N	-1	0	305.334	0.402	20	30		DCEDRM
C#Cc1ccc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cn1	ZINC001588433550	958298947	/nfs/dbraw/zinc/29/89/47/958298947.db2.gz	SWHNWBOHUKAWOI-ZDUSSCGKSA-N	-1	0	315.329	0.258	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001588433902	958301565	/nfs/dbraw/zinc/30/15/65/958301565.db2.gz	WRRJNRHEOTZSPQ-CYBMUJFWSA-N	-1	0	302.286	0.544	20	30		DCEDRM
C#Cc1ccc(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)cc1	ZINC001588439388	958316706	/nfs/dbraw/zinc/31/67/06/958316706.db2.gz	ULUKVYJTMHEQNE-AWEZNQCLSA-N	-1	0	314.341	0.607	20	30		DCEDRM
CO[C@@H]1CCOC[C@H]1NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001361787058	958330481	/nfs/dbraw/zinc/33/04/81/958330481.db2.gz	FBYKNBWRSPZMEA-GHMZBOCLSA-N	-1	0	323.374	0.914	20	30		DCEDRM
Cc1cccc2c1CC[C@H]2NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361816912	958363144	/nfs/dbraw/zinc/36/31/44/958363144.db2.gz	DWDRHBKVTCOVBN-CQSZACIVSA-N	-1	0	324.340	0.933	20	30		DCEDRM
C=CC[C@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])c1ccncc1	ZINC001588453507	958439726	/nfs/dbraw/zinc/43/97/26/958439726.db2.gz	ZHOMNLNHXGLNDM-YPMHNXCESA-N	-1	0	319.361	0.994	20	30		DCEDRM
C=CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1[C@]1(OC)CCOC1	ZINC001588471576	958535787	/nfs/dbraw/zinc/53/57/87/958535787.db2.gz	BDSHXXKCURZRML-NHYWBVRUSA-N	-1	0	322.365	0.637	20	30		DCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC001588472084	958540901	/nfs/dbraw/zinc/54/09/01/958540901.db2.gz	JGNIZZRQZLFQHK-WOPDTQHZSA-N	-1	0	308.382	0.934	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588475024	958560296	/nfs/dbraw/zinc/56/02/96/958560296.db2.gz	TUMHKFSPBSDTKP-TUAOUCFPSA-N	-1	0	310.350	0.159	20	30		DCEDRM
C=CCn1cc(CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nn1	ZINC001588475046	958560458	/nfs/dbraw/zinc/56/04/58/958560458.db2.gz	VDWHXOACIFFVKN-QWHCGFSZSA-N	-1	0	319.365	0.716	20	30		DCEDRM
Cc1nc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)cs1	ZINC001362065592	958680619	/nfs/dbraw/zinc/68/06/19/958680619.db2.gz	NBFFPUGJKXPXHS-UHFFFAOYSA-N	-1	0	319.346	0.292	20	30		DCEDRM
COC[C@@](C)(NC(=O)c1[n-]c(=O)c(C#N)cc1C)C(=O)OC	ZINC001362139069	958809662	/nfs/dbraw/zinc/80/96/62/958809662.db2.gz	OZWBUQITHHSSDS-CQSZACIVSA-N	-1	0	307.306	0.275	20	30		DCEDRM
CO[C@]1(C)C[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1(C)C	ZINC001362137865	958809986	/nfs/dbraw/zinc/80/99/86/958809986.db2.gz	JAVBDQDXVOPMFX-ZUZCIYMTSA-N	-1	0	320.349	0.140	20	30		DCEDRM
CCOC[C@@H](C(=O)OC)N(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362151575	958833232	/nfs/dbraw/zinc/83/32/32/958833232.db2.gz	SFMAWAXGVNXPDW-NSHDSACASA-N	-1	0	321.333	0.617	20	30		DCEDRM
CCC[C@H](NC(=O)CNc1ccc(C#N)cn1)c1nnn[n-]1	ZINC001362208675	958932465	/nfs/dbraw/zinc/93/24/65/958932465.db2.gz	ANBVTOWPEJMHNM-JTQLQIEISA-N	-1	0	300.326	0.536	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nc([C@H]2CCCO2)n[nH]1	ZINC001588541466	958962036	/nfs/dbraw/zinc/96/20/36/958962036.db2.gz	BYJNXSPCIKYVNE-OQPBUACISA-N	-1	0	307.310	0.277	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nc(C(F)(F)F)n[nH]1	ZINC001588541576	958964171	/nfs/dbraw/zinc/96/41/71/958964171.db2.gz	GMTFIMKQHINFDM-VIFPVBQESA-N	-1	0	305.216	0.444	20	30		DCEDRM
C[C@@H](C#N)CNC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001588543503	958980257	/nfs/dbraw/zinc/98/02/57/958980257.db2.gz	MYAUNIYNZIUKKF-WDEREUQCSA-N	-1	0	322.365	0.253	20	30		DCEDRM
C[C@H](C#N)CNC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001588543684	958981177	/nfs/dbraw/zinc/98/11/77/958981177.db2.gz	QDRLXQMDNGTTBW-UTUOFQBUSA-N	-1	0	319.365	0.779	20	30		DCEDRM
C[C@@H]1C[C@H](CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCO1	ZINC001362240404	958982997	/nfs/dbraw/zinc/98/29/97/958982997.db2.gz	BWMTZDLQSUSYJZ-GHMZBOCLSA-N	-1	0	320.349	0.142	20	30		DCEDRM
N#CCC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1	ZINC001362268815	959036432	/nfs/dbraw/zinc/03/64/32/959036432.db2.gz	GYAPTHVLBVKQSY-NSHDSACASA-N	-1	0	301.306	0.851	20	30		DCEDRM
CC(C)c1cc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)on1	ZINC001362283903	959069140	/nfs/dbraw/zinc/06/91/40/959069140.db2.gz	JSEMDHUPVUSGSK-UHFFFAOYSA-N	-1	0	317.305	0.248	20	30		DCEDRM
Cc1nc(C)c(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001362304445	959104851	/nfs/dbraw/zinc/10/48/51/959104851.db2.gz	SWJMXJCIILGLMY-UHFFFAOYSA-N	-1	0	319.346	0.210	20	30		DCEDRM
Cc1ccncc1[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362352275	959194899	/nfs/dbraw/zinc/19/48/99/959194899.db2.gz	JDIIRHWLLAGQNS-JTQLQIEISA-N	-1	0	313.317	0.401	20	30		DCEDRM
C[C@H](C(=O)[O-])C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O	ZINC001588583329	959277162	/nfs/dbraw/zinc/27/71/62/959277162.db2.gz	AFYLZKVIZIFHHM-APPZFPTMSA-N	-1	0	308.315	0.989	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1C#N	ZINC001362471919	959419462	/nfs/dbraw/zinc/41/94/62/959419462.db2.gz	ZWERPRSCIWANLO-KCJUWKMLSA-N	-1	0	323.374	0.196	20	30		DCEDRM
N#Cc1ccc(CC(=O)N2CCSC[C@@H]2c2nnn[n-]2)cn1	ZINC001362515822	959504403	/nfs/dbraw/zinc/50/44/03/959504403.db2.gz	FXOMYNKHIXPRSF-LLVKDONJSA-N	-1	0	315.362	0.326	20	30		DCEDRM
Cc1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cc(C)n1	ZINC001362688111	959831211	/nfs/dbraw/zinc/83/12/11/959831211.db2.gz	KMGVMCBFZYMQSM-UHFFFAOYSA-N	-1	0	313.317	0.262	20	30		DCEDRM
N#C[C@@]1(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CCCOC1	ZINC001362725320	959897359	/nfs/dbraw/zinc/89/73/59/959897359.db2.gz	RFQUXCYEVFZDIX-YGRLFVJLSA-N	-1	0	305.338	0.537	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@]2(C)CC2(Cl)Cl)c(C#N)c1=O	ZINC001336665996	959993522	/nfs/dbraw/zinc/99/35/22/959993522.db2.gz	NBKLIBNAHMKJKA-JTQLQIEISA-N	-1	0	303.149	0.941	20	30		DCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](O)[C@H](CO)C2)cc1C#N	ZINC001362894921	960144228	/nfs/dbraw/zinc/14/42/28/960144228.db2.gz	XFKMBNAJYISMKX-GXSJLCMTSA-N	-1	0	323.374	0.196	20	30		DCEDRM
Cc1c(-c2cc(Cn3c(=O)[n-]cc(C#N)c3=O)on2)cnn1C	ZINC001307359891	960149889	/nfs/dbraw/zinc/14/98/89/960149889.db2.gz	XWTHFBDUGIALOA-UHFFFAOYSA-N	-1	0	312.289	0.154	20	30		DCEDRM
N#Cc1cn(CCC(=O)NC[C@@]23C[C@@H]2CCCC3)c(=O)[n-]c1=O	ZINC001362933317	960195450	/nfs/dbraw/zinc/19/54/50/960195450.db2.gz	QQGPSKHAZGRPLU-BLLLJJGKSA-N	-1	0	316.361	0.907	20	30		DCEDRM
COc1cccc(C[C@H](O)C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC001362969419	960241367	/nfs/dbraw/zinc/24/13/67/960241367.db2.gz	KOPXXCLHWFSQST-ZDUSSCGKSA-N	-1	0	311.301	0.704	20	30		DCEDRM
CC(C)(CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001362999329	960278256	/nfs/dbraw/zinc/27/82/56/960278256.db2.gz	INCPSUWQFKXYST-UHFFFAOYSA-N	-1	0	304.350	0.763	20	30		DCEDRM
CCc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001363000217	960279781	/nfs/dbraw/zinc/27/97/81/960279781.db2.gz	JVAFLCKXAKCYJO-UHFFFAOYSA-N	-1	0	312.329	0.813	20	30		DCEDRM
CC(C)(CC#N)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363005236	960287843	/nfs/dbraw/zinc/28/78/43/960287843.db2.gz	NJSRCKGVWVDCOL-UHFFFAOYSA-N	-1	0	303.322	0.267	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC1CC(N2CCOCC2)C1	ZINC001363107341	960406065	/nfs/dbraw/zinc/40/60/65/960406065.db2.gz	IEBUZGJWELZVQD-UHFFFAOYSA-N	-1	0	316.361	0.560	20	30		DCEDRM
N#C[C@H]1CC[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC001574241293	960462050	/nfs/dbraw/zinc/46/20/50/960462050.db2.gz	KHQBFUWIWWFTCI-GXSJLCMTSA-N	-1	0	301.368	0.310	20	30		DCEDRM
Cn1c(=O)[n-]c(NC[C@H](O)CCc2ccccc2)c(C#N)c1=O	ZINC001363142477	960470043	/nfs/dbraw/zinc/47/00/43/960470043.db2.gz	KRZHXENICCUZOV-GFCCVEGCSA-N	-1	0	314.345	0.351	20	30		DCEDRM
Cc1nc(C#N)c(C#N)n1CC(=O)CC[N-]C(=O)C(F)(F)F	ZINC001363187265	960559774	/nfs/dbraw/zinc/55/97/74/960559774.db2.gz	UAPVXSVBSKYCGF-UHFFFAOYSA-N	-1	0	313.239	0.573	20	30		DCEDRM
C#CCCCCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC000236433888	960595518	/nfs/dbraw/zinc/59/55/18/960595518.db2.gz	IBIKIQBCTUVYAF-LLVKDONJSA-N	-1	0	301.364	0.280	20	30		DCEDRM
CC[C@@](C)(NCc1cc(=O)n2[n-]cc(C#N)c2n1)C(=O)OC	ZINC001363215881	960622543	/nfs/dbraw/zinc/62/25/43/960622543.db2.gz	LSDQQZKWIIDPRO-CQSZACIVSA-N	-1	0	303.322	0.738	20	30		DCEDRM
N#Cc1ccc(CCNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC001363240498	960679654	/nfs/dbraw/zinc/67/96/54/960679654.db2.gz	LHCWVKHXHHMGTL-UHFFFAOYSA-N	-1	0	323.312	0.051	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001571074443	960937646	/nfs/dbraw/zinc/93/76/46/960937646.db2.gz	KWSFSFLUOXFCMC-SVDPJWKOSA-N	-1	0	301.368	0.166	20	30		DCEDRM
N#Cc1ccc([O-])c(NC(=O)CNC(=O)c2ncccc2O)c1	ZINC001447061893	1013228775	/nfs/dbraw/zinc/22/87/75/1013228775.db2.gz	IQCDAGWBYPFLCO-UHFFFAOYSA-N	-1	0	312.285	0.733	20	30		DCEDRM
CCCN1C[C@@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1=O	ZINC001571096870	961179068	/nfs/dbraw/zinc/17/90/68/961179068.db2.gz	QLWPKXAOBJDFJG-NSHDSACASA-N	-1	0	307.350	0.462	20	30		DCEDRM
N#Cc1cncc(CNC(=O)Cn2cccc(C(=O)[O-])c2=O)c1	ZINC001571112631	961355680	/nfs/dbraw/zinc/35/56/80/961355680.db2.gz	PLPKOJFEWRDIJG-UHFFFAOYSA-N	-1	0	312.285	0.130	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@@H]2CCC3(CCC3)O2)c(=O)[n-]c1=O	ZINC001363533749	961383005	/nfs/dbraw/zinc/38/30/05/961383005.db2.gz	UKKXVSVEGJJDOB-NSHDSACASA-N	-1	0	318.333	0.038	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)Nc2nnc3ccccn32)CC1	ZINC001571119321	961430442	/nfs/dbraw/zinc/43/04/42/961430442.db2.gz	CYMPIHWKMWRECI-UHFFFAOYSA-N	-1	0	314.305	0.952	20	30		DCEDRM
C[C@H](C#N)C(=O)N1CC[C@H](CCNc2ncc(C(=O)[O-])cn2)C1	ZINC001571133458	961591877	/nfs/dbraw/zinc/59/18/77/961591877.db2.gz	OLPURIFFDYXYQW-MNOVXSKESA-N	-1	0	317.349	0.985	20	30		DCEDRM
Cn1nccc1[C@H](NC(=O)Nc1cccc(CC#N)n1)C(=O)[O-]	ZINC001574472624	961611634	/nfs/dbraw/zinc/61/16/34/961611634.db2.gz	PGNGPDXPONNCNC-LBPRGKRZSA-N	-1	0	314.305	0.829	20	30		DCEDRM
N#Cc1c(NC(=O)c2ccc(C(=O)[O-])nc2)nc2n1CCOC2	ZINC001574480284	961660320	/nfs/dbraw/zinc/66/03/20/961660320.db2.gz	ZIFYFIHPIRJGFB-UHFFFAOYSA-N	-1	0	313.273	0.630	20	30		DCEDRM
COCc1cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)ncn1	ZINC001571143063	961685149	/nfs/dbraw/zinc/68/51/49/961685149.db2.gz	JZRIZRJKEPUMJB-UHFFFAOYSA-N	-1	0	319.321	0.845	20	30		DCEDRM
N#Cc1cn(CC(=O)N(Cc2ccoc2)C2CC2)c(=O)[n-]c1=O	ZINC001363700184	961716756	/nfs/dbraw/zinc/71/67/56/961716756.db2.gz	DKFPDKPNTDWIQO-UHFFFAOYSA-N	-1	0	314.301	0.605	20	30		DCEDRM
N#Cc1ccc2c(c1)CN(C(=O)Cn1cccc(C(=O)[O-])c1=O)C2	ZINC001571160456	961920569	/nfs/dbraw/zinc/92/05/69/961920569.db2.gz	YHKBBVGLJJIAQP-UHFFFAOYSA-N	-1	0	323.308	0.961	20	30		DCEDRM
CCOC(=O)c1n[nH]c([C@H](C)NC(=O)c2cc(C#N)ccn2)n1	ZINC001363881821	962069377	/nfs/dbraw/zinc/06/93/77/962069377.db2.gz	BEOJXKYGYCLBKR-QMMMGPOBSA-N	-1	0	314.305	0.739	20	30		DCEDRM
C[C@@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)CC1(C)OCCO1	ZINC001364143962	962551716	/nfs/dbraw/zinc/55/17/16/962551716.db2.gz	FDWGMIDBSGEAJA-SECBINFHSA-N	-1	0	308.338	0.146	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCCC[C@H]2c2cc[nH]n2)c(C#N)c1=O	ZINC001364202254	962664648	/nfs/dbraw/zinc/66/46/48/962664648.db2.gz	RGHBOVFSHCKSEM-NSHDSACASA-N	-1	0	300.322	0.400	20	30		DCEDRM
C#CCCCCC(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573303759	962681612	/nfs/dbraw/zinc/68/16/12/962681612.db2.gz	RXFUFGNEKFQBOD-RYUDHWBXSA-N	-1	0	306.362	0.666	20	30		DCEDRM
N#Cc1ncc(N2CC(C[N-]C(=O)C(F)(F)F)C2)nc1C#N	ZINC001364224595	962706303	/nfs/dbraw/zinc/70/63/03/962706303.db2.gz	QWJNFLKEUFJVGB-UHFFFAOYSA-N	-1	0	310.239	0.335	20	30		DCEDRM
C=C(Br)CN(C)C[C@@H](C)NC(=O)CNC(=O)[O-]	ZINC001573313626	962735150	/nfs/dbraw/zinc/73/51/50/962735150.db2.gz	MXJDEXPILQKCKQ-MRVPVSSYSA-N	-1	0	308.176	0.599	20	30		DCEDRM
C=C(Cl)CN1CCCO[C@H](CNC(=O)CNC(=O)[O-])C1	ZINC001573339613	962893028	/nfs/dbraw/zinc/89/30/28/962893028.db2.gz	UHCLPGZMHKYTTM-SNVBAGLBSA-N	-1	0	305.762	0.214	20	30		DCEDRM
C=C(Cl)C(C)(C)C(=O)N1CCN(C(=O)CNC(=O)[O-])CC1	ZINC001573339826	962897059	/nfs/dbraw/zinc/89/70/59/962897059.db2.gz	YEFDJJSBJLUJKW-UHFFFAOYSA-N	-1	0	317.773	0.704	20	30		DCEDRM
C=CCC(CC=C)C(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573351157	962977043	/nfs/dbraw/zinc/97/70/43/962977043.db2.gz	QFMKGQQOVIWXQG-LBPRGKRZSA-N	-1	0	309.366	0.740	20	30		DCEDRM
C=CCCC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573352697	962991904	/nfs/dbraw/zinc/99/19/04/962991904.db2.gz	HZNCUIJTZZEYQH-VXGBXAGGSA-N	-1	0	324.377	0.143	20	30		DCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC001573408370	963150650	/nfs/dbraw/zinc/15/06/50/963150650.db2.gz	XNJFMPZNCHZMMW-NXEZZACHSA-N	-1	0	304.368	0.478	20	30		DCEDRM
C=CCN(CCOC)S(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000312735121	963588830	/nfs/dbraw/zinc/58/88/30/963588830.db2.gz	WTSFIULDPPIONO-UHFFFAOYSA-N	-1	0	300.336	0.603	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000092479903	967595716	/nfs/dbraw/zinc/59/57/16/967595716.db2.gz	SBQWQAZXOFALAU-UHFFFAOYSA-N	-1	0	310.331	0.354	20	30		DCEDRM
CC(=O)NCCN(C(=O)c1cccc(C#N)n1)[C@@H](C)C(=O)[O-]	ZINC001609673543	970440020	/nfs/dbraw/zinc/44/00/20/970440020.db2.gz	DGHVVIHGDVFSLB-VIFPVBQESA-N	-1	0	304.306	0.005	20	30		DCEDRM
C[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC001609701304	970473460	/nfs/dbraw/zinc/47/34/60/970473460.db2.gz	YRAPMIRSRRBKLT-ZWNOBZJWSA-N	-1	0	315.329	0.496	20	30		DCEDRM
C[C@@H](C(=O)[O-])N(C(=O)C(=O)Nc1cccc(C#N)c1)C1CC1	ZINC001609706449	970482584	/nfs/dbraw/zinc/48/25/84/970482584.db2.gz	TYPIWEDRTXODTE-VIFPVBQESA-N	-1	0	301.302	0.961	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(c2cccc(S(N)(=O)=O)c2C#N)C1	ZINC001603308215	972592666	/nfs/dbraw/zinc/59/26/66/972592666.db2.gz	BBKIMZOMKNPREK-ZDUSSCGKSA-N	-1	0	309.347	0.507	20	30		DCEDRM
C[C@]1(C(=O)[O-])CCN(Cn2cc3c(c(C#N)c2=O)CCC3)C1	ZINC001603308356	972593922	/nfs/dbraw/zinc/59/39/22/972593922.db2.gz	JYVVLGOKGDQLHW-INIZCTEOSA-N	-1	0	301.346	0.963	20	30		DCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC(C)(C#N)CC2)C1	ZINC001603355069	972794674	/nfs/dbraw/zinc/79/46/74/972794674.db2.gz	MVTNJKWRQRNKDC-RYUDHWBXSA-N	-1	0	321.377	0.708	20	30		DCEDRM
COC(=O)c1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n(C)c1C	ZINC001604371962	973082800	/nfs/dbraw/zinc/08/28/00/973082800.db2.gz	SZOWUEOQUXXWBK-OAHLLOKOSA-N	-1	0	321.333	0.741	20	30		DCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCC[C@](C#N)(c2ccccn2)C1	ZINC001604423420	973200209	/nfs/dbraw/zinc/20/02/09/973200209.db2.gz	ZXLCQYAKIWLVSU-SWLSCSKDSA-N	-1	0	303.318	0.565	20	30		DCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCC(=O)Cc1ccc(C#N)cc1	ZINC001604461083	973302200	/nfs/dbraw/zinc/30/22/00/973302200.db2.gz	CPRIQJQZRWQZOV-OAHLLOKOSA-N	-1	0	305.286	0.703	20	30		DCEDRM
Cc1nc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])sc1C(N)=O	ZINC001605403967	973401399	/nfs/dbraw/zinc/40/13/99/973401399.db2.gz	YBYVOKNALKWZKQ-LBPRGKRZSA-N	-1	0	310.335	0.171	20	30		DCEDRM
COCCN(CC(=O)[O-])C(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC001604584589	973676684	/nfs/dbraw/zinc/67/66/84/973676684.db2.gz	SPFQIIRCYKHVDQ-AWEZNQCLSA-N	-1	0	315.329	0.800	20	30		DCEDRM
Cn1ccnc1N1CCC(NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC001605511853	973691107	/nfs/dbraw/zinc/69/11/07/973691107.db2.gz	HKJKEBGYMHIFEW-OAHLLOKOSA-N	-1	0	319.365	0.510	20	30		DCEDRM
N#CCN1CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)CC1	ZINC001605585518	973876285	/nfs/dbraw/zinc/87/62/85/973876285.db2.gz	DLFQEODNQLUOFC-UHFFFAOYSA-N	-1	0	302.334	0.987	20	30		DCEDRM
N#Cc1c(NC(=O)c2cnc(C(=O)[O-])cn2)nc2n1CCS2	ZINC001605590989	973885985	/nfs/dbraw/zinc/88/59/85/973885985.db2.gz	RWAZVAKFZKFWRL-UHFFFAOYSA-N	-1	0	316.302	0.601	20	30		DCEDRM
N#Cc1ccc(SCC(=O)Nc2ncn(CC(=O)[O-])n2)cc1	ZINC001605612556	973926524	/nfs/dbraw/zinc/92/65/24/973926524.db2.gz	PWWWXFIXGJOTRL-UHFFFAOYSA-N	-1	0	317.330	0.965	20	30		DCEDRM
N#Cc1ccc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cc1F	ZINC001605612415	973926913	/nfs/dbraw/zinc/92/69/13/973926913.db2.gz	LCVQDNGXQWCXDH-LLVKDONJSA-N	-1	0	319.292	0.959	20	30		DCEDRM
N#Cc1ccncc1N1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1	ZINC001605622856	973944814	/nfs/dbraw/zinc/94/48/14/973944814.db2.gz	FKBXGQCHGAYSHM-CQSZACIVSA-N	-1	0	314.345	0.713	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC001592222543	977408238	/nfs/dbraw/zinc/40/82/38/977408238.db2.gz	YDWZOZQMNIEDEU-QWRGUYRKSA-N	-1	0	303.384	0.794	20	30		DCEDRM
C[C@](CC(=O)[O-])(NS(=O)(=O)CC1(C#N)CC1)c1ccncc1	ZINC001592329391	977757967	/nfs/dbraw/zinc/75/79/67/977757967.db2.gz	GYVXWGLPNKCCDB-CYBMUJFWSA-N	-1	0	323.374	0.995	20	30		DCEDRM
C[C@H](CCNC(=O)C#CC1CC1)Nc1ncc(C(=O)[O-])cn1	ZINC001592513476	978346904	/nfs/dbraw/zinc/34/69/04/978346904.db2.gz	QLPHUIKFAPBOQG-SNVBAGLBSA-N	-1	0	302.334	0.895	20	30		DCEDRM
CC[C@@](COC)(NCC(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001595195343	979913131	/nfs/dbraw/zinc/91/31/31/979913131.db2.gz	RBCDHHNBSHADIZ-INIZCTEOSA-N	-1	0	319.361	0.644	20	30		DCEDRM
CC[C@@H](C(=O)[O-])C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC001594745108	981629544	/nfs/dbraw/zinc/62/95/44/981629544.db2.gz	KYMITDCQSZDKCK-WDEREUQCSA-N	-1	0	317.349	0.496	20	30		DCEDRM
Cc1occc1C([O-])=C(C#N)C(=O)N1CCS(=O)(=O)CC1	ZINC001523842552	1014777907	/nfs/dbraw/zinc/77/79/07/1014777907.db2.gz	JLSPXRDDYUHJMX-LLVKDONJSA-N	-1	0	310.331	0.168	20	30		DCEDRM
C=C(C)Cn1c(Cc2nn[nH]n2)nnc1N(C)CC1(C)COC1	ZINC001524009930	1014825070	/nfs/dbraw/zinc/82/50/70/1014825070.db2.gz	YCLDKFMRMXUIQH-UHFFFAOYSA-N	-1	0	318.385	0.431	20	30		DCEDRM
CCCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cncc(C#N)n1	ZINC001595882682	982896460	/nfs/dbraw/zinc/89/64/60/982896460.db2.gz	LBFZGTNRUNHEEU-RYUDHWBXSA-N	-1	0	317.349	0.402	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001573535175	983055130	/nfs/dbraw/zinc/05/51/30/983055130.db2.gz	JPBLMSBFDFPSRZ-AXFHLTTASA-N	-1	0	303.384	0.698	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])o1	ZINC001574250350	983204413	/nfs/dbraw/zinc/20/44/13/983204413.db2.gz	ZHPLFEUYZZZXSP-WCBMZHEXSA-N	-1	0	314.319	0.452	20	30		DCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1	ZINC001588370525	983319654	/nfs/dbraw/zinc/31/96/54/983319654.db2.gz	GEGJJLCGTXVALZ-NSHDSACASA-N	-1	0	311.359	0.321	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)C1CCC(C(=O)[O-])CC1)[C@H]1CCCO1	ZINC001588376450	983351797	/nfs/dbraw/zinc/35/17/97/983351797.db2.gz	DPWAFOVSOCLGLS-IFWUJCSASA-N	-1	0	315.391	0.730	20	30		DCEDRM
C#C[C@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)[C@H]1CCCO1	ZINC001588378540	983362836	/nfs/dbraw/zinc/36/28/36/983362836.db2.gz	ZRYVPCLMVLQKPE-WDEREUQCSA-N	-1	0	323.374	0.479	20	30		DCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588382279	983369991	/nfs/dbraw/zinc/36/99/91/983369991.db2.gz	LMPZMJNRVPHOLN-KSTCHIGDSA-N	-1	0	318.373	0.616	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)NCCc1cccc(C(=O)[O-])c1	ZINC001588384217	983387527	/nfs/dbraw/zinc/38/75/27/983387527.db2.gz	ZHYOXTUVTPQIRK-AWEZNQCLSA-N	-1	0	302.330	0.971	20	30		DCEDRM
C#CC[C@H](CO)NC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588393246	983397056	/nfs/dbraw/zinc/39/70/56/983397056.db2.gz	DWQKRNUNYJHONV-HFXYEQLZSA-N	-1	0	310.350	0.082	20	30		DCEDRM
C#CC[C@H](NC(=O)C[C@H](n1cccn1)C(F)(F)F)C(=O)[O-]	ZINC001588406934	983426714	/nfs/dbraw/zinc/42/67/14/983426714.db2.gz	UFTSPIRVNOTINP-IUCAKERBSA-N	-1	0	303.240	0.969	20	30		DCEDRM
C#CC[C@@H](NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)C(=O)[O-]	ZINC001588407994	983429913	/nfs/dbraw/zinc/42/99/13/983429913.db2.gz	UJZLTZCAVJFDJJ-MNOVXSKESA-N	-1	0	311.382	0.701	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1cnnn1-c1cccc(F)c1)C(=O)[O-]	ZINC001588422452	983446384	/nfs/dbraw/zinc/44/63/84/983446384.db2.gz	YLQNKBYTHCWZAM-LLVKDONJSA-N	-1	0	302.265	0.613	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-]	ZINC001588424563	983456042	/nfs/dbraw/zinc/45/60/42/983456042.db2.gz	XBYOURPJCYZGRY-QMMMGPOBSA-N	-1	0	322.264	0.855	20	30		DCEDRM
C#CCC1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CCC1	ZINC001588428176	983460120	/nfs/dbraw/zinc/46/01/20/983460120.db2.gz	DZSJVFLNHNQLGI-XQHKEYJVSA-N	-1	0	318.373	0.664	20	30		DCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc2c1CCN(C)C2)C(=O)[O-]	ZINC001588428227	983460554	/nfs/dbraw/zinc/46/05/54/983460554.db2.gz	GKVXMWIFOPNRIZ-ZDUSSCGKSA-N	-1	0	322.386	0.429	20	30		DCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(OC(C)C)nc1)C(=O)[O-]	ZINC001588428266	983461010	/nfs/dbraw/zinc/46/10/10/983461010.db2.gz	IAUNVCJPDWWGOE-LLVKDONJSA-N	-1	0	312.347	0.624	20	30		DCEDRM
C#CCC[C@H](O)CNC(=O)C(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001588434716	983471919	/nfs/dbraw/zinc/47/19/19/983471919.db2.gz	RHDDDLALZHEIHR-VIFPVBQESA-N	-1	0	324.358	0.584	20	30		DCEDRM
C#CCN(CC#N)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1	ZINC001588465912	983496891	/nfs/dbraw/zinc/49/68/91/983496891.db2.gz	NGBOAEIGYWWHJF-UHFFFAOYSA-N	-1	0	316.342	0.950	20	30		DCEDRM
C#CCN(Cc1ccc(C(=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1	ZINC001588469694	983502914	/nfs/dbraw/zinc/50/29/14/983502914.db2.gz	NOAJWVYQDUTNLK-ZDUSSCGKSA-N	-1	0	308.359	0.402	20	30		DCEDRM
C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccn2)C1	ZINC001588477579	983516863	/nfs/dbraw/zinc/51/68/63/983516863.db2.gz	VBVPFGVOJFQLOJ-LBPRGKRZSA-N	-1	0	323.374	0.156	20	30		DCEDRM
CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588478718	983517840	/nfs/dbraw/zinc/51/78/40/983517840.db2.gz	JMOZWBLSCPSMII-LBPRGKRZSA-N	-1	0	304.302	0.214	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-]	ZINC001588490824	983534642	/nfs/dbraw/zinc/53/46/42/983534642.db2.gz	ZIQDQIWOZQXYIR-IINYFYTJSA-N	-1	0	303.314	0.768	20	30		DCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(CC)cc1C(=O)[O-]	ZINC001588491458	983536587	/nfs/dbraw/zinc/53/65/87/983536587.db2.gz	NGCUFPGYOVADCW-UHFFFAOYSA-N	-1	0	318.329	0.652	20	30		DCEDRM
C#C[C@H]1CC[C@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC001588510389	983555391	/nfs/dbraw/zinc/55/53/91/983555391.db2.gz	FQXXHZQNTLJZOE-BJDJZHNGSA-N	-1	0	309.366	0.455	20	30		DCEDRM
C=C(C)[C@H](CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])OCC	ZINC001588534627	983586319	/nfs/dbraw/zinc/58/63/19/983586319.db2.gz	HRVSQISMGSKBCO-DCAQKATOSA-N	-1	0	300.355	0.452	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001588535356	983589141	/nfs/dbraw/zinc/58/91/41/983589141.db2.gz	NGVJRAZWCKDARH-UPJWGTAASA-N	-1	0	322.361	0.373	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC001588535823	983591189	/nfs/dbraw/zinc/59/11/89/983591189.db2.gz	RDZQVHZVSNNYAO-RNJOBUHISA-N	-1	0	324.377	0.405	20	30		DCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CN1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588536153	983592588	/nfs/dbraw/zinc/59/25/88/983592588.db2.gz	UXPLCDRCCJTGSP-JCIQBVFBSA-N	-1	0	308.334	0.609	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)c1cn2c(n1)C[C@H](OC)CC2)C(=O)[O-]	ZINC001588547398	983620028	/nfs/dbraw/zinc/62/00/28/983620028.db2.gz	AQXFUHYTVHYOLR-GHMZBOCLSA-N	-1	0	307.350	0.994	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@](CC)(COC)C(=O)[O-]	ZINC001596231047	983625754	/nfs/dbraw/zinc/62/57/54/983625754.db2.gz	GMALUDGIKIGPKM-JQWIXIFHSA-N	-1	0	321.399	0.182	20	30		DCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(C(=O)[O-])no1	ZINC001596231364	983626605	/nfs/dbraw/zinc/62/66/05/983626605.db2.gz	NEBLDHHAUBAFNG-QMMMGPOBSA-N	-1	0	309.278	0.538	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C(=O)OC	ZINC001588553310	983627737	/nfs/dbraw/zinc/62/77/37/983627737.db2.gz	KDMQNQGCIQURPS-SECBINFHSA-N	-1	0	305.352	0.421	20	30		DCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC001588553758	983628510	/nfs/dbraw/zinc/62/85/10/983628510.db2.gz	RGDWQYAUKLJADG-WDEREUQCSA-N	-1	0	316.379	0.089	20	30		DCEDRM
C=C(C)CN(CC)C(=O)CS(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588562847	983643719	/nfs/dbraw/zinc/64/37/19/983643719.db2.gz	JJLWTGXULVTYQI-UHFFFAOYSA-N	-1	0	305.396	0.937	20	30		DCEDRM
C=C(C)Cn1c([C@@H](O)COC)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588592037	983675099	/nfs/dbraw/zinc/67/50/99/983675099.db2.gz	QMMHLZZMEYYTKE-UTUOFQBUSA-N	-1	0	324.381	0.691	20	30		DCEDRM
C=C(C)Cn1c(N2CC[C@H](C(=O)[O-])C2)nnc1[C@]1(O)CCOC1	ZINC001588598910	983686940	/nfs/dbraw/zinc/68/69/40/983686940.db2.gz	RWRQORMZMKKYJZ-NHYWBVRUSA-N	-1	0	322.365	0.373	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CSC[C@H]1C(=O)N(C)CC	ZINC001588618812	983713130	/nfs/dbraw/zinc/71/31/30/983713130.db2.gz	AQSQBPDNOBSIKT-JTQLQIEISA-N	-1	0	300.380	0.787	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O	ZINC001588623280	983727541	/nfs/dbraw/zinc/72/75/41/983727541.db2.gz	OBOZZQJNUHDYIH-NSHDSACASA-N	-1	0	320.349	0.371	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cn(C(C)C)c(=O)[nH]c1=O	ZINC001588630168	983741713	/nfs/dbraw/zinc/74/17/13/983741713.db2.gz	SJNCHLKGOMEYIC-UHFFFAOYSA-N	-1	0	309.322	0.567	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1nc2n(c1C(=O)OC)CCC2	ZINC001588633841	983751392	/nfs/dbraw/zinc/75/13/92/983751392.db2.gz	SFJBPXYMDFDRBX-UHFFFAOYSA-N	-1	0	307.306	0.975	20	30		DCEDRM
CC(C)[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCCO1	ZINC001450206852	1014975345	/nfs/dbraw/zinc/97/53/45/1014975345.db2.gz	GVHQRMQGOANHLL-LBPRGKRZSA-N	-1	0	320.349	0.094	20	30		DCEDRM
C=C1CC(C)(C(=O)N(C)CCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588643364	983766102	/nfs/dbraw/zinc/76/61/02/983766102.db2.gz	GZMPDLHQLILVAP-NWDGAFQWSA-N	-1	0	308.378	0.980	20	30		DCEDRM
CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)CSCC#N	ZINC001596339970	983785667	/nfs/dbraw/zinc/78/56/67/983785667.db2.gz	SPKRGOSSSJKHMR-UHFFFAOYSA-N	-1	0	323.378	0.114	20	30		DCEDRM
C=C[C@@](C)(O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1	ZINC001588683436	983848572	/nfs/dbraw/zinc/84/85/72/983848572.db2.gz	ZXZFCOKHTRLGKC-CYBMUJFWSA-N	-1	0	313.331	0.664	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)NC/C=C\CNc1ncc(C(=O)[O-])cn1	ZINC001588684033	983853890	/nfs/dbraw/zinc/85/38/90/983853890.db2.gz	JIHQQEIHKCHJHI-XVWMLYKFSA-N	-1	0	320.349	0.586	20	30		DCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@H](C)N(C)c1ccnc(C(=O)[O-])n1	ZINC001588684792	983863875	/nfs/dbraw/zinc/86/38/75/983863875.db2.gz	YFAGNSYVXSZIFG-ZUZCIYMTSA-N	-1	0	322.365	0.443	20	30		DCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1cc(OC)ccc1C(=O)[O-]	ZINC001588692956	983888362	/nfs/dbraw/zinc/88/83/62/983888362.db2.gz	NSIOXLPSFHVYKQ-VIFPVBQESA-N	-1	0	315.347	0.873	20	30		DCEDRM
CCN1C[C@@H](CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1=O	ZINC001596398576	983952066	/nfs/dbraw/zinc/95/20/66/983952066.db2.gz	ZQJLNIRQDBDNPH-LLVKDONJSA-N	-1	0	322.365	0.255	20	30		DCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC001588743777	984039349	/nfs/dbraw/zinc/03/93/49/984039349.db2.gz	COILOYWPTZWEPY-QMMMGPOBSA-N	-1	0	303.311	0.739	20	30		DCEDRM
C=CC[C@H](OC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-]	ZINC001588753374	984084704	/nfs/dbraw/zinc/08/47/04/984084704.db2.gz	GNTSKGDAKAZDKZ-ONGXEEELSA-N	-1	0	307.306	0.346	20	30		DCEDRM
C=CC[C@@H]1NC(=O)N([C@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1=O	ZINC001588773996	984150450	/nfs/dbraw/zinc/15/04/50/984150450.db2.gz	OESQYDZFFRQQGN-SSOKKCIESA-N	-1	0	308.334	0.895	20	30		DCEDRM
C=CCCC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588774117	984150983	/nfs/dbraw/zinc/15/09/83/984150983.db2.gz	UCAOXLQOJAUOHY-CHWSQXEVSA-N	-1	0	306.362	0.948	20	30		DCEDRM
C=CCCC[C@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)C(=O)[O-]	ZINC001588789915	984202173	/nfs/dbraw/zinc/20/21/73/984202173.db2.gz	MVKISDDIWFQRRI-NSHDSACASA-N	-1	0	315.391	0.737	20	30		DCEDRM
C=CCCOC(=O)[C@@H](C)OC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001588808523	984262311	/nfs/dbraw/zinc/26/23/11/984262311.db2.gz	FWEZXRVMDBGYEG-GWOFURMSSA-N	-1	0	300.307	0.916	20	30		DCEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]2C(=O)[O-])cc1	ZINC001588847882	984367923	/nfs/dbraw/zinc/36/79/23/984367923.db2.gz	QELRVTPSSDOITA-LBPRGKRZSA-N	-1	0	324.358	0.450	20	30		DCEDRM
C=CCOCC(=O)N1CCC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588849662	984373713	/nfs/dbraw/zinc/37/37/13/984373713.db2.gz	DEZXUPRYTNLRPK-LLVKDONJSA-N	-1	0	320.349	0.202	20	30		DCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	ZINC001588849963	984377040	/nfs/dbraw/zinc/37/70/40/984377040.db2.gz	QVBSOHKXYAHAEV-YRORDHRNSA-N	-1	0	322.361	0.159	20	30		DCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cn2C)C1	ZINC001588849965	984377094	/nfs/dbraw/zinc/37/70/94/984377094.db2.gz	QXVWVMZHAJEKLJ-NSHDSACASA-N	-1	0	314.363	0.689	20	30		DCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C(C)C)N1CCCC1=O)C(=O)[O-]	ZINC001588850762	984379857	/nfs/dbraw/zinc/37/98/57/984379857.db2.gz	CZTNMQXNNFENKM-WCQYABFASA-N	-1	0	312.366	0.405	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)COCc1nnc(C)s1)C(=O)[O-]	ZINC001588854366	984390733	/nfs/dbraw/zinc/39/07/33/984390733.db2.gz	XVGQUWGMMZZRQX-SECBINFHSA-N	-1	0	315.351	0.135	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)C(=O)[O-]	ZINC001588859570	984406518	/nfs/dbraw/zinc/40/65/18/984406518.db2.gz	QCVWECKVZMDOTJ-ZDUSSCGKSA-N	-1	0	316.317	0.653	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1csc(NC(C)=O)n1)C(=O)[O-]	ZINC001588859986	984409769	/nfs/dbraw/zinc/40/97/69/984409769.db2.gz	DPZWNSZHIJECDD-QMMMGPOBSA-N	-1	0	313.335	0.487	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(CC(=O)OC)c1)C(=O)[O-]	ZINC001588862493	984419038	/nfs/dbraw/zinc/41/90/38/984419038.db2.gz	ZILFOAGVDNSTLP-CYBMUJFWSA-N	-1	0	321.329	0.788	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC001588879251	984457235	/nfs/dbraw/zinc/45/72/35/984457235.db2.gz	XUCZEQQFLHOFMY-UWVGGRQHSA-N	-1	0	300.380	0.343	20	30		DCEDRM
C=CCn1c(-c2cocn2)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588890183	984484776	/nfs/dbraw/zinc/48/47/76/984484776.db2.gz	RREMJMBXBWETOV-AWEZNQCLSA-N	-1	0	319.321	0.799	20	30		DCEDRM
C=CCn1c(-c2ncon2)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588891426	984487641	/nfs/dbraw/zinc/48/76/41/984487641.db2.gz	KDOIPNXHIGWRLC-LBPRGKRZSA-N	-1	0	308.273	0.517	20	30		DCEDRM
C=CCn1c(CC(F)F)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588897209	984507893	/nfs/dbraw/zinc/50/78/93/984507893.db2.gz	HTMXUIYBJQZLBH-BDAKNGLRSA-N	-1	0	316.308	0.950	20	30		DCEDRM
C=CCn1c(CO)nnc1N1CCc2ccc(C(=O)[O-])nc2C1	ZINC001588901739	984525468	/nfs/dbraw/zinc/52/54/68/984525468.db2.gz	ZXQNJPBWUBKHSB-UHFFFAOYSA-N	-1	0	315.333	0.612	20	30		DCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)c2nccn2C)on1	ZINC001524716593	1015042702	/nfs/dbraw/zinc/04/27/02/1015042702.db2.gz	CWNFWGBPWNJYHH-ZETCQYMHSA-N	-1	0	302.246	0.400	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O	ZINC001588916426	984560704	/nfs/dbraw/zinc/56/07/04/984560704.db2.gz	MCQWUAWYOIFMQM-QCNOEVLYSA-N	-1	0	308.334	0.705	20	30		DCEDRM
C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC001588919918	984575273	/nfs/dbraw/zinc/57/52/73/984575273.db2.gz	PECLQQFLOHBXMX-SNVBAGLBSA-N	-1	0	322.317	0.060	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001588924658	984582206	/nfs/dbraw/zinc/58/22/06/984582206.db2.gz	AGTAVOFDOGYDKJ-LBPRGKRZSA-N	-1	0	311.359	0.366	20	30		DCEDRM
CC#CCCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001588927006	984595707	/nfs/dbraw/zinc/59/57/07/984595707.db2.gz	IIPOCCZATQIXMI-UHFFFAOYSA-N	-1	0	304.302	0.618	20	30		DCEDRM
C[C@H]1CN(CC(=O)Nc2sccc2C#N)C[C@@H](C(=O)[O-])O1	ZINC001599927967	985242748	/nfs/dbraw/zinc/24/27/48/985242748.db2.gz	VVUDWQUIUFJCFM-WPRPVWTQSA-N	-1	0	309.347	0.732	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599931004	985314269	/nfs/dbraw/zinc/31/42/69/985314269.db2.gz	WPKGOVCKAJRBMH-CABZTGNLSA-N	-1	0	310.331	0.421	20	30		DCEDRM
CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)CC1(CC#N)CC1	ZINC001596884898	985780221	/nfs/dbraw/zinc/78/02/21/985780221.db2.gz	UHYFNTYCRYBZAC-SNVBAGLBSA-N	-1	0	304.368	0.432	20	30		DCEDRM
C[C@H](C#N)C(=O)NC[C@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001589328606	986157771	/nfs/dbraw/zinc/15/77/71/986157771.db2.gz	DMLWHQIAXBJBGM-GHMZBOCLSA-N	-1	0	317.349	0.667	20	30		DCEDRM
C[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cn1)n1cnc(C#N)n1	ZINC001589339939	986243845	/nfs/dbraw/zinc/24/38/45/986243845.db2.gz	OBPSNUXTFQIWMT-SECBINFHSA-N	-1	0	314.305	0.463	20	30		DCEDRM
C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@](O)(CC#N)C1	ZINC001589350724	986310577	/nfs/dbraw/zinc/31/05/77/986310577.db2.gz	SLODPAYSYWVBGG-IAQYHMDHSA-N	-1	0	309.366	0.049	20	30		DCEDRM
C[C@H](C(=O)NC1(C#N)CCC1)N1CCSC[C@H]1CC(=O)[O-]	ZINC001589388796	986498408	/nfs/dbraw/zinc/49/84/08/986498408.db2.gz	QKSUWHJXKUXSHG-GHMZBOCLSA-N	-1	0	311.407	0.829	20	30		DCEDRM
CC(C)(C)C#CC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001589681881	987715856	/nfs/dbraw/zinc/71/58/56/987715856.db2.gz	JHIKIGIOFJXCLK-NSHDSACASA-N	-1	0	316.361	0.659	20	30		DCEDRM
C[C@@H]1CN(C(=O)NCc2cccc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001599856635	989098678	/nfs/dbraw/zinc/09/86/78/989098678.db2.gz	OJPGAROQUFNLBU-MFKMUULPSA-N	-1	0	303.318	0.942	20	30		DCEDRM
COCCn1c(C)nnc1N1CCc2[n-]c(=O)c(C#N)cc2C1	ZINC001391052934	990543430	/nfs/dbraw/zinc/54/34/30/990543430.db2.gz	JCWQCDMAJROVPU-UHFFFAOYSA-N	-1	0	314.349	0.768	20	30		DCEDRM
CN(C)C(=O)CCCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001598124551	990552908	/nfs/dbraw/zinc/55/29/08/990552908.db2.gz	LLPIOPNVOJHPET-UHFFFAOYSA-N	-1	0	310.354	0.255	20	30		DCEDRM
CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C(=O)[O-])n1	ZINC001590927320	990933299	/nfs/dbraw/zinc/93/32/99/990933299.db2.gz	YWDBVHSJDOIDAY-RYUDHWBXSA-N	-1	0	314.345	0.624	20	30		DCEDRM
CC(C)C#CC(=O)NCC[C@@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001590927589	990934727	/nfs/dbraw/zinc/93/47/27/990934727.db2.gz	CTKUMJFPGWFPOW-LLVKDONJSA-N	-1	0	304.350	0.563	20	30		DCEDRM
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC001591051781	991452464	/nfs/dbraw/zinc/45/24/64/991452464.db2.gz	HTGMABSZIBAQDS-AAEUAGOBSA-N	-1	0	306.318	0.523	20	30		DCEDRM
CN(CC(C)(C)CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)C#CC1CC1	ZINC001598424330	991771222	/nfs/dbraw/zinc/77/12/22/991771222.db2.gz	ZMMMFUIZQNGEMT-CHWSQXEVSA-N	-1	0	320.389	0.721	20	30		DCEDRM
CN(CC1CC1)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001598450077	991906564	/nfs/dbraw/zinc/90/65/64/991906564.db2.gz	KVGHSFKNTVEQKV-UHFFFAOYSA-N	-1	0	301.368	0.263	20	30		DCEDRM
CN(CCCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001598481604	992160460	/nfs/dbraw/zinc/16/04/60/992160460.db2.gz	VLEAZUGTTBOGEG-VXGBXAGGSA-N	-1	0	318.333	0.185	20	30		DCEDRM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(C(=O)[O-])o1	ZINC001598484831	992191108	/nfs/dbraw/zinc/19/11/08/992191108.db2.gz	ICQNZIMSZPZCJD-UHFFFAOYSA-N	-1	0	317.305	0.860	20	30		DCEDRM
CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001598485387	992198409	/nfs/dbraw/zinc/19/84/09/992198409.db2.gz	RSZXXNDRXFJBQA-OLZOCXBDSA-N	-1	0	302.334	0.569	20	30		DCEDRM
CN(CCN(C)c1ncccc1C#N)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001598487331	992222758	/nfs/dbraw/zinc/22/27/58/992222758.db2.gz	KUGNNKHSQUUJAW-VXGBXAGGSA-N	-1	0	302.334	0.569	20	30		DCEDRM
CNS(=O)(=O)C[C@@H]1CCCN1c1ccc(C(=O)[O-])nc1C#N	ZINC001598670504	994748103	/nfs/dbraw/zinc/74/81/03/994748103.db2.gz	FZZKXIMQAXRBFN-VIFPVBQESA-N	-1	0	324.362	0.169	20	30		DCEDRM
CC(=O)NC1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001464609947	1015927437	/nfs/dbraw/zinc/92/74/37/1015927437.db2.gz	OWIGDVBMEAKAQN-UHFFFAOYSA-N	-1	0	302.334	0.708	20	30		DCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001598713484	995376158	/nfs/dbraw/zinc/37/61/58/995376158.db2.gz	OZQXMPFCYYVIEX-BPNCWPANSA-N	-1	0	318.329	0.946	20	30		DCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)cn1	ZINC001598753681	995687646	/nfs/dbraw/zinc/68/76/46/995687646.db2.gz	QYPWYGYFTMBTBX-CMPLNLGQSA-N	-1	0	317.301	0.432	20	30		DCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1Cc1cncc(C#N)c1	ZINC001598761302	995779913	/nfs/dbraw/zinc/77/99/13/995779913.db2.gz	QZBKSRRLHZMJTQ-CHWSQXEVSA-N	-1	0	303.318	0.791	20	30		DCEDRM
CO[C@H](C)CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001465260321	1015990480	/nfs/dbraw/zinc/99/04/80/1015990480.db2.gz	SFBWUWBCVZRGAF-LLVKDONJSA-N	-1	0	322.365	0.483	20	30		DCEDRM
CO[C@@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1(C)C	ZINC001465639052	1016015112	/nfs/dbraw/zinc/01/51/12/1016015112.db2.gz	IRGJPJTXGPLHMR-GHMZBOCLSA-N	-1	0	320.349	0.140	20	30		DCEDRM
C#CCN(C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)C1CC1	ZINC001573463912	1163443352	/nfs/dbraw/zinc/44/33/52/1163443352.db2.gz	QALDNOZTMBMCJU-NSHDSACASA-N	-1	0	310.350	0.979	20	30		DCEDRM
C[C@H](CN(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NCC#N	ZINC001507158604	1016042526	/nfs/dbraw/zinc/04/25/26/1016042526.db2.gz	CQROJGPPFZAXDX-MRVPVSSYSA-N	-1	0	308.304	0.404	20	30		DCEDRM
COC(=O)CN(CC#N)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC001598860457	996670292	/nfs/dbraw/zinc/67/02/92/996670292.db2.gz	BUZVYRDHCUYBND-UHFFFAOYSA-N	-1	0	307.262	0.792	20	30		DCEDRM
COC(=O)[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)C[C@H](C)O1	ZINC001598899293	997144482	/nfs/dbraw/zinc/14/44/82/997144482.db2.gz	MCBLWUGGAYXYFA-UFBFGSQYSA-N	-1	0	305.290	0.418	20	30		DCEDRM
C[C@@]1(CCC(=O)[O-])NC(=O)N(CN2CC[C@](F)(C#N)C2)C1=O	ZINC001594003162	997394099	/nfs/dbraw/zinc/39/40/99/997394099.db2.gz	QHUSBSQICQLDGJ-STQMWFEESA-N	-1	0	312.301	0.057	20	30		DCEDRM
COc1cc(F)ccc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001599427025	997694307	/nfs/dbraw/zinc/69/43/07/997694307.db2.gz	WSBYLFIPGPTZQN-UHFFFAOYSA-N	-1	0	302.283	0.433	20	30		DCEDRM
COc1cc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])ccc1C#N	ZINC001599354744	998160462	/nfs/dbraw/zinc/16/04/62/998160462.db2.gz	UNFCWAAGJQNYIV-GFCCVEGCSA-N	-1	0	314.301	0.716	20	30		DCEDRM
COc1cc(OC[C@@H](O)CN(C)CCC#N)ccc1C(=O)[O-]	ZINC001599456983	998204434	/nfs/dbraw/zinc/20/44/34/998204434.db2.gz	RIUKESWLLWSAAL-NSHDSACASA-N	-1	0	308.334	0.979	20	30		DCEDRM
COC(=O)c1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)nc1	ZINC001598957939	998279715	/nfs/dbraw/zinc/27/97/15/998279715.db2.gz	QVCHYFCPYXTUFL-UHFFFAOYSA-N	-1	0	317.301	0.699	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1NC(=O)N1CC(O)(CC#N)C1	ZINC001599371285	998414413	/nfs/dbraw/zinc/41/44/13/998414413.db2.gz	OEVJMIOLRCYYIM-UHFFFAOYSA-N	-1	0	305.290	0.886	20	30		DCEDRM
COc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCCN(O)C1=O	ZINC001599372178	998428536	/nfs/dbraw/zinc/42/85/36/998428536.db2.gz	ASFSNQHGRFBCJR-SNVBAGLBSA-N	-1	0	323.305	0.895	20	30		DCEDRM
COCCc1nc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)no1	ZINC001599264163	998439225	/nfs/dbraw/zinc/43/92/25/998439225.db2.gz	BEIZWFBXCGIBAG-UHFFFAOYSA-N	-1	0	304.262	0.038	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(C#N)n1	ZINC001594142326	998454124	/nfs/dbraw/zinc/45/41/24/998454124.db2.gz	SEDLMDQIORSSCW-PSASIEDQSA-N	-1	0	302.290	0.213	20	30		DCEDRM
COC(=O)c1ccc(NC(=O)CN(CC#N)CCC(=O)[O-])cc1	ZINC001598979020	998635680	/nfs/dbraw/zinc/63/56/80/998635680.db2.gz	QXDQGEUOLZWZRG-UHFFFAOYSA-N	-1	0	319.317	0.712	20	30		DCEDRM
C#CCO[N-]C(=O)CS(=O)(=O)c1ccc(C(C)=O)c(F)c1	ZINC001470043463	1016383356	/nfs/dbraw/zinc/38/33/56/1016383356.db2.gz	WDZYTHCOZGUJKO-UHFFFAOYSA-N	-1	0	313.306	0.483	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cc(F)cc(F)c2)c(=O)[n-]c1=O	ZINC001418530183	1000317759	/nfs/dbraw/zinc/31/77/59/1000317759.db2.gz	YJJRSXBRSMKFKX-UHFFFAOYSA-N	-1	0	320.255	0.529	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)NCc2nc([O-])cc(=O)[nH]2)c(F)c1	ZINC001418619754	1000399178	/nfs/dbraw/zinc/39/91/78/1000399178.db2.gz	JEULKJIBEFSWMP-UHFFFAOYSA-N	-1	0	306.228	0.968	20	30		DCEDRM
COC[C@@]1(C)CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CCO1	ZINC001418805812	1000533137	/nfs/dbraw/zinc/53/31/37/1000533137.db2.gz	GSAQHVQNCSSBCL-OAHLLOKOSA-N	-1	0	305.334	0.845	20	30		DCEDRM
CSc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001470360929	1016425380	/nfs/dbraw/zinc/42/53/80/1016425380.db2.gz	LXYNANHJBPQAAT-UHFFFAOYSA-N	-1	0	320.330	0.565	20	30		DCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001419042222	1000715246	/nfs/dbraw/zinc/71/52/46/1000715246.db2.gz	IXCJTSMMULXWLD-PWSUYJOCSA-N	-1	0	312.333	0.855	20	30		DCEDRM
CCCN(C(=O)[C@@H](C)C#N)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001419223781	1000892143	/nfs/dbraw/zinc/89/21/43/1000892143.db2.gz	UAIDQGGWEXUZNG-NSHDSACASA-N	-1	0	320.397	0.873	20	30		DCEDRM
CC1=NS(=O)(=O)N(C)C=C1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001546334186	1016671576	/nfs/dbraw/zinc/67/15/76/1016671576.db2.gz	AQEGUCWQYGTBHU-UHFFFAOYSA-N	-1	0	320.330	0.737	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(C)C2CC(NC(=O)[C@@H](C)C#N)C2)c1[O-]	ZINC001405818931	1003108140	/nfs/dbraw/zinc/10/81/40/1003108140.db2.gz	XRJHCKUICVFBBX-WFRXLMHJSA-N	-1	0	305.338	0.303	20	30		DCEDRM
Cn1c(=O)[n-]c(N[C@H](CCC(C)(C)C)C(N)=O)c(C#N)c1=O	ZINC001421122121	1003344527	/nfs/dbraw/zinc/34/45/27/1003344527.db2.gz	NZODLVYKMXCTDV-SECBINFHSA-N	-1	0	307.354	0.037	20	30		DCEDRM
CSCC(C)(C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001472255263	1016772300	/nfs/dbraw/zinc/77/23/00/1016772300.db2.gz	HUWGEWIMLGLMLN-UHFFFAOYSA-N	-1	0	310.379	0.468	20	30		DCEDRM
CCCCC(=O)NCc1nc(CNC(=O)[C@@H](C)C#N)cc(=O)[nH]1	ZINC001406704185	1004019153	/nfs/dbraw/zinc/01/91/53/1004019153.db2.gz	NRFQEWVGINQSDN-JTQLQIEISA-N	-1	0	319.365	0.764	20	30		DCEDRM
CCCCC(=O)NCc1nc(CNC(=O)[C@H](C)C#N)cc(=O)[nH]1	ZINC001406704190	1004020589	/nfs/dbraw/zinc/02/05/89/1004020589.db2.gz	NRFQEWVGINQSDN-SNVBAGLBSA-N	-1	0	319.365	0.764	20	30		DCEDRM
CC[C@@H](C)[C@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001414557425	1005359082	/nfs/dbraw/zinc/35/90/82/1005359082.db2.gz	PXXXYLULYNJYCS-ZJUUUORDSA-N	-1	0	307.354	0.554	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001514573086	1016978177	/nfs/dbraw/zinc/97/81/77/1016978177.db2.gz	BKTJIONDYUEWFN-LLVKDONJSA-N	-1	0	322.365	0.299	20	30		DCEDRM
N#Cc1cn(CC(=O)NC[C@H]2Cc3ccccc32)c(=O)[n-]c1=O	ZINC001417614889	1005851936	/nfs/dbraw/zinc/85/19/36/1005851936.db2.gz	STLDIZWEDPHTRZ-LLVKDONJSA-N	-1	0	310.313	0.277	20	30		DCEDRM
CCO[C@H](CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001417662210	1005862425	/nfs/dbraw/zinc/86/24/25/1005862425.db2.gz	XYKRSYXFIBXHTL-GFCCVEGCSA-N	-1	0	322.365	0.388	20	30		DCEDRM
Cc1c(C#N)cccc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001417725928	1005876942	/nfs/dbraw/zinc/87/69/42/1005876942.db2.gz	OPWCMHSJWXSINA-UHFFFAOYSA-N	-1	0	312.333	0.504	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C(=O)C2CC2)C1	ZINC001451715277	1006374090	/nfs/dbraw/zinc/37/40/90/1006374090.db2.gz	YOUSTCPYFNSTEJ-UHFFFAOYSA-N	-1	0	300.318	0.619	20	30		DCEDRM
Cc1[nH]nc(C(=O)N(CCN(C)C(=O)[C@H](C)C#N)C(C)C)c1[O-]	ZINC001452013878	1006554184	/nfs/dbraw/zinc/55/41/84/1006554184.db2.gz	JWXCZFPLZZBVDP-SNVBAGLBSA-N	-1	0	321.381	0.892	20	30		DCEDRM
N#Cc1cn(CC(=O)NCCCC2CCCC2)c(=O)[n-]c1=O	ZINC001440301878	1007652037	/nfs/dbraw/zinc/65/20/37/1007652037.db2.gz	FCCIDYXNVJQPPH-UHFFFAOYSA-N	-1	0	304.350	0.907	20	30		DCEDRM
N#Cc1ccc(Cn2c(=O)[n-]cc(C#N)c2=O)c(OC(F)F)c1	ZINC001421410511	1008543541	/nfs/dbraw/zinc/54/35/41/1008543541.db2.gz	QNOWJZZEVPSOKO-UHFFFAOYSA-N	-1	0	318.239	0.930	20	30		DCEDRM
COC(=O)N1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC1	ZINC001421487679	1008650942	/nfs/dbraw/zinc/65/09/42/1008650942.db2.gz	WFJREWYUHIYXMS-UHFFFAOYSA-N	-1	0	316.321	0.191	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2ccsc2Cl)c(=O)[n-]c1=O	ZINC001453839592	1008753141	/nfs/dbraw/zinc/75/31/41/1008753141.db2.gz	AMKORCOJTVAXPC-UHFFFAOYSA-N	-1	0	324.749	0.965	20	30		DCEDRM
N#Cc1cn(CC(=O)NCc2cccc(F)c2F)c(=O)[n-]c1=O	ZINC001454340119	1009082778	/nfs/dbraw/zinc/08/27/78/1009082778.db2.gz	FPDZTDPPKXZHJN-UHFFFAOYSA-N	-1	0	320.255	0.415	20	30		DCEDRM
CCS(=O)(=O)C[C@@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001433695567	1009086464	/nfs/dbraw/zinc/08/64/64/1009086464.db2.gz	QAVJQMDYIPBFDY-SECBINFHSA-N	-1	0	311.363	0.520	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)Nc2ccc(F)c(F)c2)c1=O	ZINC001434454088	1009972477	/nfs/dbraw/zinc/97/24/77/1009972477.db2.gz	OSPGAQNZKZLZOU-UHFFFAOYSA-N	-1	0	306.228	0.325	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC1(c2nc(C)no2)CC1	ZINC001434661223	1010166425	/nfs/dbraw/zinc/16/64/25/1010166425.db2.gz	XIBMWENIYNCXCI-SECBINFHSA-N	-1	0	313.383	0.683	20	30		DCEDRM
N#Cc1cn(CCNC(=O)Nc2ccsc2)c(=O)[n-]c1=O	ZINC001434703557	1010187967	/nfs/dbraw/zinc/18/79/67/1010187967.db2.gz	FHMCGTHLFMSCDL-UHFFFAOYSA-N	-1	0	305.319	0.704	20	30		DCEDRM
N#Cc1cc(Br)ccc1C(=O)NCc1nnn[n-]1	ZINC001443340731	1010352052	/nfs/dbraw/zinc/35/20/52/1010352052.db2.gz	XEOVFFVRQZCNRU-UHFFFAOYSA-N	-1	0	307.111	0.764	20	30		DCEDRM
C[C@@H](C[C@@H](O)c1ccccc1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001458239299	1012112967	/nfs/dbraw/zinc/11/29/67/1012112967.db2.gz	YMLTYVPXMCRCOU-GXFFZTMASA-N	-1	0	314.345	0.869	20	30		DCEDRM
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCc1nnn[n-]1	ZINC001556112258	1012182116	/nfs/dbraw/zinc/18/21/16/1012182116.db2.gz	APEZVJPZSLTOAI-UHFFFAOYSA-N	-1	0	323.320	0.532	20	30		DCEDRM
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)n1ncc(C#N)c1N	ZINC001557716181	1012294837	/nfs/dbraw/zinc/29/48/37/1012294837.db2.gz	QTCWULMMYYLZNY-UHFFFAOYSA-N	-1	0	323.309	0.536	20	30		DCEDRM
N#Cc1cccc(O[N-]C(=O)c2ccc(S(N)(=O)=O)s2)c1	ZINC001557920727	1012307925	/nfs/dbraw/zinc/30/79/25/1012307925.db2.gz	DNSSIYBSKNREHQ-UHFFFAOYSA-N	-1	0	323.355	0.991	20	30		DCEDRM
N#Cc1cn(CC(=O)Nc2ccc3[nH]ccc3c2)c(=O)[n-]c1=O	ZINC001540634742	1012457034	/nfs/dbraw/zinc/45/70/34/1012457034.db2.gz	VSCVUPDFLPCGGS-UHFFFAOYSA-N	-1	0	309.285	0.941	20	30		DCEDRM
O=C(NCCNC(=O)C1N=CC=CC1=O)c1cccc(F)c1[O-]	ZINC001542978554	1012498134	/nfs/dbraw/zinc/49/81/34/1012498134.db2.gz	SBIMIQGAFCSTIE-NTCAYCPXSA-N	-1	0	319.292	0.788	20	30		DCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O	ZINC001545128537	1012556937	/nfs/dbraw/zinc/55/69/37/1012556937.db2.gz	OQZYHISENRJGLP-SNVBAGLBSA-N	-1	0	316.317	0.233	20	30		DCEDRM
CCCCCOC1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001545168141	1012558473	/nfs/dbraw/zinc/55/84/73/1012558473.db2.gz	JAPKYHZJZKLBCY-UHFFFAOYSA-N	-1	0	320.349	0.238	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1	ZINC001547268198	1012581219	/nfs/dbraw/zinc/58/12/19/1012581219.db2.gz	MLMHOBXVBIJKLG-LBPRGKRZSA-N	-1	0	300.336	0.305	20	30		DCEDRM
Cc1ccc(-c2nnc(Cn3c(=O)[n-]cc(C#N)c3=O)o2)cc1	ZINC001459137898	1012590740	/nfs/dbraw/zinc/59/07/40/1012590740.db2.gz	ORJCOYPCZKWTHZ-UHFFFAOYSA-N	-1	0	309.285	0.815	20	30		DCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@@](C)(OC)C1	ZINC001520447164	1017276868	/nfs/dbraw/zinc/27/68/68/1017276868.db2.gz	CYVPFVDQUMATQP-OAHLLOKOSA-N	-1	0	318.381	0.693	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001479959307	1018052104	/nfs/dbraw/zinc/05/21/04/1018052104.db2.gz	LTVHWBOFWFWYJB-ABAIWWIYSA-N	-1	0	323.397	0.430	20	30		DCEDRM
C=C[C@](C)(O)CC(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001502177981	1019798576	/nfs/dbraw/zinc/79/85/76/1019798576.db2.gz	MMCYJEMWJKIXMY-AWEZNQCLSA-N	-1	0	311.386	0.118	20	30		DCEDRM
CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccsc2C#N)C1	ZINC001606706005	1170268963	/nfs/dbraw/zinc/26/89/63/1170268963.db2.gz	JBZMYSKLUPREOC-LLVKDONJSA-N	-1	0	316.360	0.484	20	30		DCEDRM
N#CCN(CCC(=O)[O-])C(=O)c1cnc(C2OCCO2)s1	ZINC001608186246	1170612681	/nfs/dbraw/zinc/61/26/81/1170612681.db2.gz	GUNFDQGOSKEZMI-UHFFFAOYSA-N	-1	0	311.319	0.629	20	30		DCEDRM
C#C[C@H](NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)[C@H]1CCCO1	ZINC001609054346	1170794395	/nfs/dbraw/zinc/79/43/95/1170794395.db2.gz	HMZHBALBDHSHNF-YNEHKIRRSA-N	-1	0	310.350	0.034	20	30		DCEDRM
Cc1ccn(CN2CCSC[C@@H]2CC(=O)[O-])c(=O)c1C#N	ZINC001610534894	1171247972	/nfs/dbraw/zinc/24/79/72/1171247972.db2.gz	MSOWGIUKDZMNBY-NSHDSACASA-N	-1	0	307.375	0.878	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-]	ZINC000362230339	529869611	/nfs/dbraw/zinc/86/96/11/529869611.db2.gz	WNJSLVWNGZNXKS-JTQLQIEISA-N	-1	0	305.400	0.946	20	30		DCEDRM
N#CC1(CS(=O)(=O)N(CC(=O)[O-])Cc2ccccn2)CC1	ZINC000275265556	238306287	/nfs/dbraw/zinc/30/62/87/238306287.db2.gz	JIQOFQGCFBOVLQ-UHFFFAOYSA-N	-1	0	309.347	0.602	20	30		DCEDRM
CC[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000567886306	291387533	/nfs/dbraw/zinc/38/75/33/291387533.db2.gz	KXEDGAHUIJJCDB-NSHDSACASA-N	-1	0	300.311	0.980	20	30		DCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OCC)nc1	ZINC000275230210	212211299	/nfs/dbraw/zinc/21/12/99/212211299.db2.gz	FLEQHAQJIBACSO-UHFFFAOYSA-N	-1	0	300.336	0.742	20	30		DCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000274985708	212059490	/nfs/dbraw/zinc/05/94/90/212059490.db2.gz	KDIQOCTYHAGIDY-LLVKDONJSA-N	-1	0	310.331	0.659	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000263556873	285003560	/nfs/dbraw/zinc/00/35/60/285003560.db2.gz	OWAZAFSWMHWDEE-WDEREUQCSA-N	-1	0	305.400	0.802	20	30		DCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000340452302	253257072	/nfs/dbraw/zinc/25/70/72/253257072.db2.gz	ZMGICWCKLBHHAU-ZETCQYMHSA-N	-1	0	313.291	0.608	20	30		DCEDRM
COCn1nc(C)c(S(=O)(=O)[N-]c2c(C#N)cnn2C)c1C	ZINC000340633001	253286415	/nfs/dbraw/zinc/28/64/15/253286415.db2.gz	FKZZLIRDDIREDP-UHFFFAOYSA-N	-1	0	324.366	0.510	20	30		DCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc(N(C)C)n[nH]1	ZINC000285199133	131146118	/nfs/dbraw/zinc/14/61/18/131146118.db2.gz	WGUMFNWABAGARO-UHFFFAOYSA-N	-1	0	306.351	0.852	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(N(C)C)n[nH]1	ZINC000285238187	131150020	/nfs/dbraw/zinc/15/00/20/131150020.db2.gz	ZDJUXBIUKHQKHV-UHFFFAOYSA-N	-1	0	306.351	0.852	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)[n-]c1C#N	ZINC000031287877	395706223	/nfs/dbraw/zinc/70/62/23/395706223.db2.gz	RDDHNQYXJLJMFX-SECBINFHSA-N	-1	0	324.300	0.733	20	30		DCEDRM
Cn1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1C(N)=O	ZINC000028196451	395695865	/nfs/dbraw/zinc/69/58/65/395695865.db2.gz	HMNKMUQDIKDFFJ-UHFFFAOYSA-N	-1	0	304.331	0.796	20	30		DCEDRM
C=CCCOCCNS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000231791216	395885523	/nfs/dbraw/zinc/88/55/23/395885523.db2.gz	JDMSTOXXJOSKJZ-UHFFFAOYSA-N	-1	0	306.365	0.712	20	30		DCEDRM
Cc1cc(S(=O)(=O)NCCSCC(=O)[O-])ccc1C#N	ZINC000278301784	396118043	/nfs/dbraw/zinc/11/80/43/396118043.db2.gz	QUBGCFBFIPCNMN-UHFFFAOYSA-N	-1	0	314.388	0.963	20	30		DCEDRM
CS(=O)(=O)CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000177127342	396167522	/nfs/dbraw/zinc/16/75/22/396167522.db2.gz	JSPRZHXTSKDZCB-UHFFFAOYSA-N	-1	0	324.330	0.159	20	30		DCEDRM
CCN(C)C(=O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000185986487	396338707	/nfs/dbraw/zinc/33/87/07/396338707.db2.gz	QRCZZLLQUAFQLE-UHFFFAOYSA-N	-1	0	317.317	0.593	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)C2CC2)c(F)c1	ZINC000269752778	396443615	/nfs/dbraw/zinc/44/36/15/396443615.db2.gz	CUENPCHPYFPMQG-LLVKDONJSA-N	-1	0	302.302	0.886	20	30		DCEDRM
CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000287709990	396418347	/nfs/dbraw/zinc/41/83/47/396418347.db2.gz	XZTFGJGILJJTDB-VXGBXAGGSA-N	-1	0	309.347	0.827	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000580958590	396514606	/nfs/dbraw/zinc/51/46/06/396514606.db2.gz	ZHVQVFOKJOWQDC-MXWKQRLJSA-N	-1	0	303.384	0.508	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cn(C)c(C(C)C)n1)C(=O)[O-]	ZINC000580162719	396490258	/nfs/dbraw/zinc/49/02/58/396490258.db2.gz	OAPWLNCGCLSCAG-SNVBAGLBSA-N	-1	0	313.379	0.688	20	30		DCEDRM
C=CCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1	ZINC000581131415	396528677	/nfs/dbraw/zinc/52/86/77/396528677.db2.gz	HZQKIUYVZHBUBR-KGLIPLIRSA-N	-1	0	316.357	0.958	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000581432602	396554448	/nfs/dbraw/zinc/55/44/48/396554448.db2.gz	DIZIRXAEFGFRMU-SFYZADRCSA-N	-1	0	313.326	0.411	20	30		DCEDRM
N#CCCN(CC1CC1)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000595237390	396567858	/nfs/dbraw/zinc/56/78/58/396567858.db2.gz	CNTNDWIHURUUBM-UHFFFAOYSA-N	-1	0	316.317	0.871	20	30		DCEDRM
C=CCn1cc(CNC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)nn1	ZINC000581938668	396594507	/nfs/dbraw/zinc/59/45/07/396594507.db2.gz	OGZPLRMXODZEBB-MNOVXSKESA-N	-1	0	307.354	0.716	20	30		DCEDRM
CC#CC[C@H](NS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-]	ZINC000541000039	396610292	/nfs/dbraw/zinc/61/02/92/396610292.db2.gz	BNWWDFDBHLCBGF-AWEZNQCLSA-N	-1	0	322.386	0.746	20	30		DCEDRM
CN(Cc1n[n-]c(=O)o1)C[C@H](O)COc1ccc(CC#N)cc1	ZINC000595547321	396628647	/nfs/dbraw/zinc/62/86/47/396628647.db2.gz	RXSOBHZBQRGLEX-LBPRGKRZSA-N	-1	0	318.333	0.713	20	30		DCEDRM
C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1	ZINC000595992357	396704802	/nfs/dbraw/zinc/70/48/02/396704802.db2.gz	SEXAZFGHCUSIRC-LRDDRELGSA-N	-1	0	321.377	0.852	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1F	ZINC000589975860	396733081	/nfs/dbraw/zinc/73/30/81/396733081.db2.gz	JDGVSIOQZOLNOI-NSHDSACASA-N	-1	0	314.294	0.171	20	30		DCEDRM
Cc1cc(C(=O)NCc2nnn[n-]2)nn1-c1cccc(C#N)c1	ZINC000611565533	396887501	/nfs/dbraw/zinc/88/75/01/396887501.db2.gz	UFFWSPFWWQEBSU-UHFFFAOYSA-N	-1	0	308.305	0.496	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])o1	ZINC000600654709	396906925	/nfs/dbraw/zinc/90/69/25/396906925.db2.gz	BOXGHLIIVDAPIH-SSDOTTSWSA-N	-1	0	306.246	0.634	20	30		DCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-]	ZINC000600656959	396907139	/nfs/dbraw/zinc/90/71/39/396907139.db2.gz	DZUHCOIQEWWJPG-GRYCIOLGSA-N	-1	0	317.411	0.946	20	30		DCEDRM
CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnnn1C	ZINC000600646176	396904926	/nfs/dbraw/zinc/90/49/26/396904926.db2.gz	LPAWVFGQRVUVKN-UHFFFAOYSA-N	-1	0	307.335	0.886	20	30		DCEDRM
C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC[C@H]1C(=O)[O-]	ZINC000600799374	396943604	/nfs/dbraw/zinc/94/36/04/396943604.db2.gz	VXURNEOVAIAFRC-HFAKWTLXSA-N	-1	0	307.350	0.318	20	30		DCEDRM
C[C@H](C1CC1)N(C(=O)Cn1c(=O)[n-]cc(C#N)c1=O)C1CC1	ZINC000592354935	397159252	/nfs/dbraw/zinc/15/92/52/397159252.db2.gz	AOBGAXFSUCJWTQ-SECBINFHSA-N	-1	0	302.334	0.198	20	30		DCEDRM
N#CCC1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC000592440421	397179657	/nfs/dbraw/zinc/17/96/57/397179657.db2.gz	MVIKRDJPTAWQFW-NEPJUHHUSA-N	-1	0	307.350	0.508	20	30		DCEDRM
C=CCCOCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000613016659	397179879	/nfs/dbraw/zinc/17/98/79/397179879.db2.gz	ISFUGEANQSOLMH-UHFFFAOYSA-N	-1	0	314.363	0.362	20	30		DCEDRM
Cn1cc(C#N)c(=NC(=O)N=c2cc([C@H]3CCCOC3)[nH][nH]2)[n-]1	ZINC000619320237	397118313	/nfs/dbraw/zinc/11/83/13/397118313.db2.gz	WWBYMFFEOURZMF-VIFPVBQESA-N	-1	0	315.337	0.397	20	30		DCEDRM
C[C@@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)C[C@@H]1C(=O)[O-]	ZINC000592457553	397183034	/nfs/dbraw/zinc/18/30/34/397183034.db2.gz	KLUOMSAYIRYSPI-SKDRFNHKSA-N	-1	0	309.347	0.685	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CC[C@@H](c3ccccc3)C2)c(=O)[n-]c1=O	ZINC000602087599	397297043	/nfs/dbraw/zinc/29/70/43/397297043.db2.gz	YNCOXVGLJVRIAL-CYBMUJFWSA-N	-1	0	324.340	0.837	20	30		DCEDRM
CC[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCS1	ZINC000602110138	397304757	/nfs/dbraw/zinc/30/47/57/397304757.db2.gz	YGLAZDKNMSKOSU-NSHDSACASA-N	-1	0	322.390	0.565	20	30		DCEDRM
N#Cc1cn(CC(=O)N2CCC[C@@H]3CCC[C@H]32)c(=O)[n-]c1=O	ZINC000602111907	397306035	/nfs/dbraw/zinc/30/60/35/397306035.db2.gz	WIIFHFUOYIREST-CMPLNLGQSA-N	-1	0	302.334	0.612	20	30		DCEDRM
CCN(CC(F)F)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602135896	397315051	/nfs/dbraw/zinc/31/50/51/397315051.db2.gz	MRXWIHSORAEAEJ-UHFFFAOYSA-N	-1	0	300.265	0.324	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000593269332	397345280	/nfs/dbraw/zinc/34/52/80/397345280.db2.gz	BBTZJAIMYIZOSI-QWRGUYRKSA-N	-1	0	303.384	0.652	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])c(F)c1	ZINC000614375894	397428904	/nfs/dbraw/zinc/42/89/04/397428904.db2.gz	BTXKTEMXISIGIO-UHFFFAOYSA-N	-1	0	316.310	0.155	20	30		DCEDRM
C=CCSCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000599939073	397545813	/nfs/dbraw/zinc/54/58/13/397545813.db2.gz	GODIBDXFXBZBLN-QWRGUYRKSA-N	-1	0	314.407	0.591	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CCO1	ZINC000609549476	397781597	/nfs/dbraw/zinc/78/15/97/397781597.db2.gz	OWHJQBKRMGSMIJ-LLVKDONJSA-N	-1	0	300.274	0.394	20	30		DCEDRM
N#Cc1nc(NC(=O)c2ccc(-n3cnnn3)cc2)[n-]c1C#N	ZINC000075555667	158062518	/nfs/dbraw/zinc/06/25/18/158062518.db2.gz	FGHABOJPXLBYEZ-UHFFFAOYSA-N	-1	0	305.261	0.381	20	30		DCEDRM
N#Cc1nc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)[n-]c1C#N	ZINC000130054596	158293894	/nfs/dbraw/zinc/29/38/94/158293894.db2.gz	TWKMIVYAVFBPSW-JTQLQIEISA-N	-1	0	312.333	0.740	20	30		DCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000262378029	158805356	/nfs/dbraw/zinc/80/53/56/158805356.db2.gz	YJFHKYAQLUAYCJ-BONVTDFDSA-N	-1	0	304.302	0.685	20	30		DCEDRM
N#Cc1ncn(-c2ccccc2[N-]S(=O)(=O)c2cn[nH]c2)n1	ZINC000368056725	159372573	/nfs/dbraw/zinc/37/25/73/159372573.db2.gz	SYTAKHUQGASQIW-UHFFFAOYSA-N	-1	0	315.318	0.663	20	30		DCEDRM
Cc1ccc(-n2[n-]c(C(=O)N3CCOC[C@@H]3C#N)cc2=O)cc1	ZINC000268142185	415166397	/nfs/dbraw/zinc/16/63/97/415166397.db2.gz	VIRAOBRBGGWFGE-ZDUSSCGKSA-N	-1	0	312.329	0.839	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2COCCO2)c(F)c1	ZINC000342604390	415225140	/nfs/dbraw/zinc/22/51/40/415225140.db2.gz	XVUDPMVAPCEIDT-SECBINFHSA-N	-1	0	318.301	0.530	20	30		DCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000284341093	415592226	/nfs/dbraw/zinc/59/22/26/415592226.db2.gz	RETGBWCDNZCPBT-IAQYHMDHSA-N	-1	0	321.381	0.597	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)[N-]OCCCOC)c1	ZINC000288008027	415673691	/nfs/dbraw/zinc/67/36/91/415673691.db2.gz	LCFSVNVVOPXNJP-UHFFFAOYSA-N	-1	0	306.318	0.721	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)[N-]OCCCOC	ZINC000288377364	415680442	/nfs/dbraw/zinc/68/04/42/415680442.db2.gz	XNWBHGBNTRYKQK-UHFFFAOYSA-N	-1	0	306.318	0.721	20	30		DCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1	ZINC000291329001	415830336	/nfs/dbraw/zinc/83/03/36/415830336.db2.gz	ULHVJKHKRLOCHG-AWEZNQCLSA-N	-1	0	322.386	0.911	20	30		DCEDRM
Cn1cccc(N=C([O-])N2CC[C@H](NC(=O)NC3CC3)C2)c1=O	ZINC000329562976	416176345	/nfs/dbraw/zinc/17/63/45/416176345.db2.gz	JSIFAJRXMYBTPG-NSHDSACASA-N	-1	0	319.365	0.671	20	30		DCEDRM
C[C@@H](CN1CCCC1=O)NC(=O)c1cccn2c([O-])nnc12	ZINC000329350879	416165549	/nfs/dbraw/zinc/16/55/49/416165549.db2.gz	TYDMXNPHFAIRPP-VIFPVBQESA-N	-1	0	303.322	0.750	20	30		DCEDRM
C#CCn1ccc(CN(CC)S(=O)(=O)[N-]CC(F)(F)F)n1	ZINC000491709755	416619281	/nfs/dbraw/zinc/61/92/81/416619281.db2.gz	XFNASQALFVQRMK-UHFFFAOYSA-N	-1	0	324.328	0.735	20	30		DCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000424487370	416656112	/nfs/dbraw/zinc/65/61/12/416656112.db2.gz	JWGFQJNBVYUUTE-VOAKCMCISA-N	-1	0	324.377	0.263	20	30		DCEDRM
CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cccc(C)c2C#N)C1	ZINC000368528299	416664188	/nfs/dbraw/zinc/66/41/88/416664188.db2.gz	PGXPNKPCHSLWMB-PWSUYJOCSA-N	-1	0	324.358	0.729	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)[N-]CC(F)(F)F	ZINC000443226210	416736271	/nfs/dbraw/zinc/73/62/71/416736271.db2.gz	QCJLWQUVPUTUCX-RKDXNWHRSA-N	-1	0	302.318	0.954	20	30		DCEDRM
C=CCOC[C@H](NS(=O)(=O)N(C)[C@@H](C)C1CC1)C(=O)[O-]	ZINC000564081166	416890275	/nfs/dbraw/zinc/89/02/75/416890275.db2.gz	LIWYEKIZAWFFCW-ONGXEEELSA-N	-1	0	306.384	0.207	20	30		DCEDRM
C=CCC[C@H](NC(=O)Cn1ncc(=O)c2ccccc21)C(=O)[O-]	ZINC000448993150	417115532	/nfs/dbraw/zinc/11/55/32/417115532.db2.gz	MLPVEUCBIQQJPJ-LBPRGKRZSA-N	-1	0	315.329	0.932	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000570622826	417371603	/nfs/dbraw/zinc/37/16/03/417371603.db2.gz	LBQKWCGQBSIIGG-GFCCVEGCSA-N	-1	0	312.366	0.409	20	30		DCEDRM
COCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)CC#N)cc1	ZINC000530456399	417577144	/nfs/dbraw/zinc/57/71/44/417577144.db2.gz	AJSRIQGVLKYYST-UHFFFAOYSA-N	-1	0	318.376	0.372	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000659067569	418053833	/nfs/dbraw/zinc/05/38/33/418053833.db2.gz	LUWKZPMVBRKSNE-UHFFFAOYSA-N	-1	0	307.306	0.427	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000659664702	418140456	/nfs/dbraw/zinc/14/04/56/418140456.db2.gz	OBYLRTVEOXGFAR-VXGBXAGGSA-N	-1	0	312.366	0.265	20	30		DCEDRM
C=CCOCCCNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000659660676	418138714	/nfs/dbraw/zinc/13/87/14/418138714.db2.gz	SXAFJOQMUCHZKA-UHFFFAOYSA-N	-1	0	320.345	0.710	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@]2(C(=O)[O-])C[C@H](OCC)C2(C)C)nn1	ZINC000649249214	418215109	/nfs/dbraw/zinc/21/51/09/418215109.db2.gz	XQXZORHLNCRQCG-NHYWBVRUSA-N	-1	0	322.365	0.852	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1nc(C2CC2)nn1C)C(=O)[O-]	ZINC000649251171	418215443	/nfs/dbraw/zinc/21/54/43/418215443.db2.gz	NGVQIKBWNAKZBC-SNVBAGLBSA-N	-1	0	308.338	0.007	20	30		DCEDRM
C=CCNC(=O)CNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655901608	418298787	/nfs/dbraw/zinc/29/87/87/418298787.db2.gz	LLEUAOUGTGXPDZ-GARJFASQSA-N	-1	0	311.382	0.723	20	30		DCEDRM
CC(C)[C@H](CNC(=O)C(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000655977059	418310060	/nfs/dbraw/zinc/31/00/60/418310060.db2.gz	BGLOYDBZGPLURJ-AWEZNQCLSA-N	-1	0	316.357	0.627	20	30		DCEDRM
C=CCOCCCNC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000656595819	418365274	/nfs/dbraw/zinc/36/52/74/418365274.db2.gz	RTYIZDNXGJSTNC-NWDGAFQWSA-N	-1	0	300.355	0.853	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCCc1cncc(C)n1)C(=O)[O-]	ZINC000656599008	418366346	/nfs/dbraw/zinc/36/63/46/418366346.db2.gz	LWZPSEGHCYBISH-GFCCVEGCSA-N	-1	0	308.338	0.283	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])s1	ZINC000230323256	261154072	/nfs/dbraw/zinc/15/40/72/261154072.db2.gz	SVJSXORWMARADQ-SSDOTTSWSA-N	-1	0	304.374	0.768	20	30		DCEDRM
CO[C@@H]1CN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C[C@H]1OC	ZINC000489200705	267528228	/nfs/dbraw/zinc/52/82/28/267528228.db2.gz	GUUJSNFQCDTRDD-GHMZBOCLSA-N	-1	0	323.374	0.867	20	30		DCEDRM
N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1COCCN1	ZINC000528056260	268159758	/nfs/dbraw/zinc/15/97/58/268159758.db2.gz	KRHTUSDHRSYHOG-VIFPVBQESA-N	-1	0	315.782	0.478	20	30		DCEDRM
N#Cc1nc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ccc1Cl	ZINC000424463912	271404582	/nfs/dbraw/zinc/40/45/82/271404582.db2.gz	DBIMOYSJKXJGMV-VIFPVBQESA-N	-1	0	315.738	0.295	20	30		DCEDRM
Cn1ccc(/C=C\C(=O)[N-]S(=O)(=O)c2ccc(C#N)nc2)c1	ZINC000493476116	272191169	/nfs/dbraw/zinc/19/11/69/272191169.db2.gz	CKQVBDYEAOEWCM-DJWKRKHSSA-N	-1	0	316.342	0.810	20	30		DCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)NCCOCC(=O)[O-])c1	ZINC000547933521	288093593	/nfs/dbraw/zinc/09/35/93/288093593.db2.gz	MLMUIYOHTPHQHT-UHFFFAOYSA-N	-1	0	316.310	0.218	20	30		DCEDRM
C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)[O-]	ZINC000548524665	288150272	/nfs/dbraw/zinc/15/02/72/288150272.db2.gz	QAEFLDBCZFDVNW-SSDOTTSWSA-N	-1	0	313.291	0.465	20	30		DCEDRM
CC[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000548529764	288150736	/nfs/dbraw/zinc/15/07/36/288150736.db2.gz	MQROSUBELGLGIL-NSHDSACASA-N	-1	0	300.311	0.980	20	30		DCEDRM
Cc1cccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1C#N	ZINC000275299452	302011906	/nfs/dbraw/zinc/01/19/06/302011906.db2.gz	NAGNJZXUGQRLDH-NSHDSACASA-N	-1	0	310.331	0.341	20	30		DCEDRM
C=CCCCS(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000569534031	332127972	/nfs/dbraw/zinc/12/79/72/332127972.db2.gz	QYJNCUZCDUDIPQ-LBPRGKRZSA-N	-1	0	315.395	0.549	20	30		DCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C	ZINC000577735307	332305613	/nfs/dbraw/zinc/30/56/13/332305613.db2.gz	ABPRNDVXGKINRL-UWVGGRQHSA-N	-1	0	305.400	0.802	20	30		DCEDRM
C=CCCCS(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-]	ZINC000562353503	332584059	/nfs/dbraw/zinc/58/40/59/332584059.db2.gz	RZYVCPYNSDSZAR-NSHDSACASA-N	-1	0	301.368	0.530	20	30		DCEDRM
C#C[C@H]1COCCN1C(=O)CSc1n[n-]c(=S)s1	ZINC000491691884	333155940	/nfs/dbraw/zinc/15/59/40/333155940.db2.gz	HNKPKOPAEHNIMH-ZETCQYMHSA-N	-1	0	301.418	0.780	20	30		DCEDRM
CSCC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000582065982	333197345	/nfs/dbraw/zinc/19/73/45/333197345.db2.gz	LKIMVGCUMIXAMT-RKDXNWHRSA-N	-1	0	309.413	0.119	20	30		DCEDRM
O=C(CNC(=O)c1ccsc1)N1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC000329945362	336098443	/nfs/dbraw/zinc/09/84/43/336098443.db2.gz	JACZTGCHFHMWDQ-VIFPVBQESA-N	-1	0	322.346	0.656	20	30		DCEDRM
C[C@H](CN1CCOCC1)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000330145821	336118035	/nfs/dbraw/zinc/11/80/35/336118035.db2.gz	HNBYCRMLBRXIIA-MRVPVSSYSA-N	-1	0	301.372	0.280	20	30		DCEDRM
N#CCCC1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1	ZINC000582905634	337213923	/nfs/dbraw/zinc/21/39/23/337213923.db2.gz	WZPVVKUQPDWONJ-GFCCVEGCSA-N	-1	0	307.350	0.462	20	30		DCEDRM
C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)CC[C@H]1CCC(=O)[O-]	ZINC000584395234	337317301	/nfs/dbraw/zinc/31/73/01/337317301.db2.gz	QRSWUOGHLCZITC-VXGBXAGGSA-N	-1	0	317.411	0.899	20	30		DCEDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2ccncc2C#N)C1=O	ZINC000584579461	337367616	/nfs/dbraw/zinc/36/76/16/337367616.db2.gz	YUZHIFYIUNCSNC-CHWSQXEVSA-N	-1	0	302.334	0.497	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)N[C@H](c2ccccc2)C2CC2)c1=O	ZINC000584594014	337373679	/nfs/dbraw/zinc/37/36/79/337373679.db2.gz	PXDWCTQDJRIXPA-OAHLLOKOSA-N	-1	0	324.340	0.676	20	30		DCEDRM
C#CCNC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1	ZINC000266206466	337633994	/nfs/dbraw/zinc/63/39/94/337633994.db2.gz	DBPZVDAFXZHFJM-UHFFFAOYSA-N	-1	0	312.347	0.438	20	30		DCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422707652	337683601	/nfs/dbraw/zinc/68/36/01/337683601.db2.gz	WVAIPBDDGHAIIM-WDEREUQCSA-N	-1	0	309.366	0.612	20	30		DCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000422938131	337692478	/nfs/dbraw/zinc/69/24/78/337692478.db2.gz	PKQOWJPBUPYACY-ZIBATOQPSA-N	-1	0	307.350	0.318	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCC[C@H](C)CC(=O)[O-]	ZINC000515064140	337978012	/nfs/dbraw/zinc/97/80/12/337978012.db2.gz	JLWLSHUYNIRSIK-WDEREUQCSA-N	-1	0	305.400	0.803	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1CN(C(=O)OC(C)(C)C)C1	ZINC000497006113	340018060	/nfs/dbraw/zinc/01/80/60/340018060.db2.gz	WGNVMQCCMYJSRZ-UHFFFAOYSA-N	-1	0	316.379	0.323	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)COC2)C(=O)[O-]	ZINC000542858798	341023927	/nfs/dbraw/zinc/02/39/27/341023927.db2.gz	IOBMMQWQJQLNOA-CYBMUJFWSA-N	-1	0	309.343	0.862	20	30		DCEDRM
N#CC1(CS(=O)(=O)N(CCO)CC(=O)[O-])CCCCC1	ZINC000547903010	341238947	/nfs/dbraw/zinc/23/89/47/341238947.db2.gz	JHXNUNGEIHMYHW-UHFFFAOYSA-N	-1	0	304.368	0.169	20	30		DCEDRM
CC(C)(C)OC[C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000551998031	341358692	/nfs/dbraw/zinc/35/86/92/341358692.db2.gz	LSLGBCNPORGRSX-VIFPVBQESA-N	-1	0	304.368	0.478	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@](CC)(C(=O)[O-])C1	ZINC000565776866	341537920	/nfs/dbraw/zinc/53/79/20/341537920.db2.gz	HPLTUKUERYYJOU-WCQYABFASA-N	-1	0	317.411	0.899	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)Cc1ccccc1F)C(=O)[O-]	ZINC000575178162	341783558	/nfs/dbraw/zinc/78/35/58/341783558.db2.gz	LZTBFAAMLYSEOW-GFCCVEGCSA-N	-1	0	317.338	0.901	20	30		DCEDRM
N#CC1(CS(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)CC1	ZINC000575445427	341798626	/nfs/dbraw/zinc/79/86/26/341798626.db2.gz	WJCKHOXRQHEMEK-MFKMUULPSA-N	-1	0	314.363	0.043	20	30		DCEDRM
C=C(CC(C)C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O	ZINC001602772210	1159784760	/nfs/dbraw/zinc/78/47/60/1159784760.db2.gz	ODVKLDNFQFNZCM-GXFFZTMASA-N	-1	0	303.380	0.593	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F)o1	ZINC000558270610	518196609	/nfs/dbraw/zinc/19/66/09/518196609.db2.gz	CYVHPSCNUWFQFH-ZCFIWIBFSA-N	-1	0	308.262	0.786	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)COc1cccc(OC)c1)C(=O)[O-]	ZINC000263066067	526785842	/nfs/dbraw/zinc/78/58/42/526785842.db2.gz	RACYGEXIPZMHIM-CYBMUJFWSA-N	-1	0	309.318	0.846	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)COc1ccccc1OC)C(=O)[O-]	ZINC000263047519	526786304	/nfs/dbraw/zinc/78/63/04/526786304.db2.gz	PPKHBLMSTUYDFL-LLVKDONJSA-N	-1	0	309.318	0.846	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc2c(c1)CCO2)C(=O)[O-]	ZINC000262866184	526786863	/nfs/dbraw/zinc/78/68/63/526786863.db2.gz	BBRPOOPQZIMLJU-CYBMUJFWSA-N	-1	0	305.330	0.936	20	30		DCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000281931260	526842590	/nfs/dbraw/zinc/84/25/90/526842590.db2.gz	RKSQWAWNGMGWIX-CHWSQXEVSA-N	-1	0	315.333	0.875	20	30		DCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)C(=O)[O-])cc1	ZINC000262274357	527049465	/nfs/dbraw/zinc/04/94/65/527049465.db2.gz	XCFZQLAZKDGJOO-UHFFFAOYSA-N	-1	0	324.358	0.191	20	30		DCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CC(=O)[O-])cc1	ZINC000263168446	527051923	/nfs/dbraw/zinc/05/19/23/527051923.db2.gz	QSTNZQKUVBTHEI-SNVBAGLBSA-N	-1	0	324.358	0.191	20	30		DCEDRM
CCN(CCC#N)S(=O)(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000263562828	528390975	/nfs/dbraw/zinc/39/09/75/528390975.db2.gz	SYCFSCLTAUPRKU-UHFFFAOYSA-N	-1	0	311.363	0.955	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)N2CCOC[C@H]2C#N)c1	ZINC000424699603	536921455	/nfs/dbraw/zinc/92/14/55/536921455.db2.gz	VUQMPGACRBEMSV-WSVYEEACSA-N	-1	0	308.359	0.554	20	30		DCEDRM
COc1cccc(S([O-])=CC(=O)NC2(C#N)CCOCC2)c1	ZINC000424681006	536922006	/nfs/dbraw/zinc/92/20/06/536922006.db2.gz	VBQBNWDJZBRQRT-JOCHJYFZSA-N	-1	0	322.386	0.992	20	30		DCEDRM
C=CC[C@@H](NS(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-]	ZINC000681558050	548263574	/nfs/dbraw/zinc/26/35/74/548263574.db2.gz	KQBCHRIKOPBOPS-SSDOTTSWSA-N	-1	0	305.743	0.625	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCC1(OC)CCOCC1)C(=O)[O-]	ZINC000684736439	548643397	/nfs/dbraw/zinc/64/33/97/548643397.db2.gz	NBACNDDQZKQBIA-LLVKDONJSA-N	-1	0	316.354	0.137	20	30		DCEDRM
CC#CC[C@@H](NS(=O)(=O)CCOC(F)(F)F)C(=O)[O-]	ZINC000685898266	548744020	/nfs/dbraw/zinc/74/40/20/548744020.db2.gz	MFBDXLFOHPHPIS-SSDOTTSWSA-N	-1	0	303.258	0.309	20	30		DCEDRM
CC(C)[C@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)C(=O)[O-]	ZINC000817956523	597038431	/nfs/dbraw/zinc/03/84/31/597038431.db2.gz	HWACIMCFVYOQHX-LBPRGKRZSA-N	-1	0	319.317	0.753	20	30		DCEDRM
N#CCOc1cccc(CC(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC000821324916	597456535	/nfs/dbraw/zinc/45/65/35/597456535.db2.gz	YPVPGKJBIWDIIG-ZDUSSCGKSA-N	-1	0	304.302	0.443	20	30		DCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H](C)C(=O)[O-]	ZINC000817675460	597516341	/nfs/dbraw/zinc/51/63/41/597516341.db2.gz	YLLDLTXHPPQVFL-MRVPVSSYSA-N	-1	0	308.265	0.366	20	30		DCEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NC[C@@H]1CCCO1	ZINC000820160716	597613391	/nfs/dbraw/zinc/61/33/91/597613391.db2.gz	HEFBGEKIPXWKNS-BHDSKKPTSA-N	-1	0	312.322	0.218	20	30		DCEDRM
C[C@@H]1CN(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H](C)O1	ZINC000820244537	597622403	/nfs/dbraw/zinc/62/24/03/597622403.db2.gz	DTDMSDMBHKZXIY-ISTVAULSSA-N	-1	0	312.322	0.170	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)N1CCOC[C@@H]1C1CC1	ZINC000819864736	597622916	/nfs/dbraw/zinc/62/29/16/597622916.db2.gz	CUSAXSTXXBWXSK-ABAIWWIYSA-N	-1	0	324.333	0.172	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1n[nH]cc1Br	ZINC000819841871	597644262	/nfs/dbraw/zinc/64/42/62/597644262.db2.gz	GDPYQBXDOMSUNQ-SNVBAGLBSA-N	-1	0	315.127	0.793	20	30		DCEDRM
Cn1ccnc1N1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000821304690	597648934	/nfs/dbraw/zinc/64/89/34/597648934.db2.gz	BWGGBLUXFPZONM-AWEZNQCLSA-N	-1	0	305.338	0.073	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](CO)Cc1ccccc1	ZINC000819833275	597655162	/nfs/dbraw/zinc/65/51/62/597655162.db2.gz	FRMMDZIWDJIUSS-BBRMVZONSA-N	-1	0	304.346	0.958	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(O)(C(F)(F)F)CC1	ZINC000819812170	597659683	/nfs/dbraw/zinc/65/96/83/597659683.db2.gz	ZAWQWCCATGWSRI-JTQLQIEISA-N	-1	0	308.256	0.907	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CCO1	ZINC000821320751	598174184	/nfs/dbraw/zinc/17/41/84/598174184.db2.gz	WPYMJBPHIIRFCC-SECBINFHSA-N	-1	0	303.274	0.074	20	30		DCEDRM
CCCNC(=O)C1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820321148	598223232	/nfs/dbraw/zinc/22/32/32/598223232.db2.gz	NWIAKNHMDXTQLF-HNNXBMFYSA-N	-1	0	309.366	0.756	20	30		DCEDRM
CCCC(=O)N[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820297072	598226136	/nfs/dbraw/zinc/22/61/36/598226136.db2.gz	LCBOTAZXOLHDBP-NHYWBVRUSA-N	-1	0	309.366	0.898	20	30		DCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(c2ncccc2F)C1	ZINC000819835188	598229992	/nfs/dbraw/zinc/22/99/92/598229992.db2.gz	SPXQKNJKZZATPT-ZUZCIYMTSA-N	-1	0	320.324	0.920	20	30		DCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCOC2(CCOCC2)C1	ZINC000819834712	598230934	/nfs/dbraw/zinc/23/09/34/598230934.db2.gz	OSLPDAUDIDSRAF-RISCZKNCSA-N	-1	0	310.350	0.835	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1cn2ccsc2n1	ZINC000737706352	598278019	/nfs/dbraw/zinc/27/80/19/598278019.db2.gz	XBOBUZQFAJWNLN-UHFFFAOYSA-N	-1	0	312.322	0.275	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1nc(-c2ccoc2)no1	ZINC000737705047	598295969	/nfs/dbraw/zinc/29/59/69/598295969.db2.gz	JUOZJYWAEATNNG-UHFFFAOYSA-N	-1	0	324.264	0.208	20	30		DCEDRM
N#Cc1nc(NC(=O)CC[C@@H]2CCCCO2)[n-]c1-c1nn[nH]n1	ZINC000737705231	598719083	/nfs/dbraw/zinc/71/90/83/598719083.db2.gz	MBGXYOYYXDBDMJ-QMMMGPOBSA-N	-1	0	316.325	0.749	20	30		DCEDRM
CC[C@H](C)[C@H](NC(=O)COC(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC000736889403	599791405	/nfs/dbraw/zinc/79/14/05/599791405.db2.gz	XRIMOMFLJOVPAE-ZANVPECISA-N	-1	0	319.317	0.726	20	30		DCEDRM
N#C[C@@H]1CN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)CCO1	ZINC000739069445	599993100	/nfs/dbraw/zinc/99/31/00/599993100.db2.gz	QIISRLWUAVDNMF-GXTWGEPZSA-N	-1	0	306.318	0.349	20	30		DCEDRM
Cc1nnc(N=NC2CC[NH+](CCCC(=O)[O-])CC2)[n-]c1=O	ZINC000738931536	600005443	/nfs/dbraw/zinc/00/54/43/600005443.db2.gz	JMFQCCYZTWOKHH-UHFFFAOYSA-N	-1	0	308.342	0.614	20	30		DCEDRM
C#Cc1ccc(C(=O)OCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)cn1	ZINC000736093772	600119375	/nfs/dbraw/zinc/11/93/75/600119375.db2.gz	ZTPNBIBBFANQHM-YGRLFVJLSA-N	-1	0	318.329	0.835	20	30		DCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1ccccc1OCC#N	ZINC000737614259	600198066	/nfs/dbraw/zinc/19/80/66/600198066.db2.gz	ZOQQZGMLGIHAGR-UHFFFAOYSA-N	-1	0	306.274	0.289	20	30		DCEDRM
N#CCCCS(=O)(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC000739073582	600343166	/nfs/dbraw/zinc/34/31/66/600343166.db2.gz	VTKRJFHOHAIBCP-UHFFFAOYSA-N	-1	0	312.347	0.987	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1	ZINC000736089790	600347186	/nfs/dbraw/zinc/34/71/86/600347186.db2.gz	PWFCJOKRWURTHJ-JTQLQIEISA-N	-1	0	304.302	0.474	20	30		DCEDRM
C#CCN(CC)C(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000736077018	600367600	/nfs/dbraw/zinc/36/76/00/600367600.db2.gz	LEXZOUHTDOZNPW-UHFFFAOYSA-N	-1	0	303.318	0.874	20	30		DCEDRM
CCC[C@@](C)(NC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000736955036	600388042	/nfs/dbraw/zinc/38/80/42/600388042.db2.gz	XNAQSPSZYKFBHX-RDRICISKSA-N	-1	0	323.349	0.663	20	30		DCEDRM
CC(=O)N[C@H](CC(=O)N(CC#N)CC(=O)[O-])c1ccc(C)cc1	ZINC000736145930	600401554	/nfs/dbraw/zinc/40/15/54/600401554.db2.gz	YJLAGWDLZIZHBQ-CQSZACIVSA-N	-1	0	317.345	0.999	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(N2CCCC2=O)cc1	ZINC000739085509	600406036	/nfs/dbraw/zinc/40/60/36/600406036.db2.gz	AYKLSOAVLPSJJH-UHFFFAOYSA-N	-1	0	301.302	0.864	20	30		DCEDRM
CN1C[C@@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1=O	ZINC000737509239	600610836	/nfs/dbraw/zinc/61/08/36/600610836.db2.gz	OLCVSGUFOCFWJG-WCQYABFASA-N	-1	0	302.286	0.705	20	30		DCEDRM
N#Cc1ccccc1OS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000739143148	600688166	/nfs/dbraw/zinc/68/81/66/600688166.db2.gz	XJMFHCRWMSCVAA-UHFFFAOYSA-N	-1	0	307.287	0.607	20	30		DCEDRM
C=CCn1nnn(CN2CCSC[C@H]2CC(=O)[O-])c1=S	ZINC000736117776	600703440	/nfs/dbraw/zinc/70/34/40/600703440.db2.gz	MXUMNWJCEPYLEQ-SECBINFHSA-N	-1	0	315.424	0.845	20	30		DCEDRM
C#CCOc1ccc(C(=O)N[C@H](CC(=O)OC)C(=O)[O-])cc1	ZINC000736076583	600901236	/nfs/dbraw/zinc/90/12/36/600901236.db2.gz	RNNYVOKVDGDEHL-GFCCVEGCSA-N	-1	0	305.286	0.445	20	30		DCEDRM
CCCN(CC(=O)[O-])C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000758299160	600905233	/nfs/dbraw/zinc/90/52/33/600905233.db2.gz	QIYKTLHWKZGMAX-BUHFOSPRSA-N	-1	0	309.322	0.226	20	30		DCEDRM
N#CCn1c(CN2CCC[C@@H]2C(=O)[O-])nc2ccccc2c1=O	ZINC000819091216	600985462	/nfs/dbraw/zinc/98/54/62/600985462.db2.gz	UCBXALDHIZSKIZ-CYBMUJFWSA-N	-1	0	312.329	0.969	20	30		DCEDRM
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000825813829	601004585	/nfs/dbraw/zinc/00/45/85/601004585.db2.gz	RZWKMYAXOASRQW-AWEZNQCLSA-N	-1	0	317.345	0.213	20	30		DCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC000833061807	601253329	/nfs/dbraw/zinc/25/33/29/601253329.db2.gz	HVCUWPGFSSHAFK-RYBZSIHZSA-N	-1	0	322.342	0.697	20	30		DCEDRM
COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000831585831	601267054	/nfs/dbraw/zinc/26/70/54/601267054.db2.gz	QFHCBCPKHINPFL-LBPRGKRZSA-N	-1	0	313.335	0.111	20	30		DCEDRM
N#Cc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])s1	ZINC000833070631	601284494	/nfs/dbraw/zinc/28/44/94/601284494.db2.gz	PGIVREBFPGLZQA-UHFFFAOYSA-N	-1	0	323.374	0.479	20	30		DCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)COc1ccc(C#N)cc1	ZINC000262127454	601300324	/nfs/dbraw/zinc/30/03/24/601300324.db2.gz	QDWDWJPGHSPJEC-OAHLLOKOSA-N	-1	0	306.318	0.933	20	30		DCEDRM
N#Cc1cc(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)ccc1F	ZINC000833071159	601392421	/nfs/dbraw/zinc/39/24/21/601392421.db2.gz	XYHRKUKPBUAHGC-GFCCVEGCSA-N	-1	0	316.285	0.885	20	30		DCEDRM
CC[C@@](C)(CC(=O)[O-])NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000828623202	601470262	/nfs/dbraw/zinc/47/02/62/601470262.db2.gz	KIGHOWRUDGZSTG-PLFFATQSSA-N	-1	0	323.349	0.663	20	30		DCEDRM
N#Cc1ccc(C(=O)NCC(=O)N[C@H](CC(=O)[O-])C2CC2)cc1	ZINC000833071544	601563866	/nfs/dbraw/zinc/56/38/66/601563866.db2.gz	IZGOQDOMJNQAJY-CYBMUJFWSA-N	-1	0	315.329	0.658	20	30		DCEDRM
COC(=O)C[C@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC000831147949	601574085	/nfs/dbraw/zinc/57/40/85/601574085.db2.gz	MLUPGNSKXPSFHX-DZGCQCFKSA-N	-1	0	318.329	0.948	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@H](C)N1CCSC[C@@H]1CC(=O)[O-]	ZINC000825687315	601927066	/nfs/dbraw/zinc/92/70/66/601927066.db2.gz	IGEFLTZGMLEQNR-UWVGGRQHSA-N	-1	0	315.395	0.279	20	30		DCEDRM
N#Cc1cc(F)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c(F)c1	ZINC000179071321	601979968	/nfs/dbraw/zinc/97/99/68/601979968.db2.gz	KMDPXQPBRXPIQG-QMMMGPOBSA-N	-1	0	316.285	0.932	20	30		DCEDRM
C[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)[O-]	ZINC000739024139	602251804	/nfs/dbraw/zinc/25/18/04/602251804.db2.gz	PTMCABUETVTTHD-SNVBAGLBSA-N	-1	0	324.358	0.967	20	30		DCEDRM
N#CCN1CCC(NC(=O)NC2CCN(C(=O)[O-])CC2)CC1	ZINC000738425688	602545651	/nfs/dbraw/zinc/54/56/51/602545651.db2.gz	KJTOBDCUUSXUEX-UHFFFAOYSA-N	-1	0	309.370	0.416	20	30		DCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000736366590	602724890	/nfs/dbraw/zinc/72/48/90/602724890.db2.gz	VLPMQBDUDPGAIM-CHWSQXEVSA-N	-1	0	310.398	0.971	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)C[C@H]2CCCN2C(=O)[O-])CCN1C1CC1	ZINC000831076448	602919422	/nfs/dbraw/zinc/91/94/22/602919422.db2.gz	MSBRNLLUUMXDJE-CHWSQXEVSA-N	-1	0	306.366	0.718	20	30		DCEDRM
COCCN(CC(=O)NCc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000828976654	603020780	/nfs/dbraw/zinc/02/07/80/603020780.db2.gz	OVPWUSBVZLNANS-UHFFFAOYSA-N	-1	0	309.297	0.940	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)[O-]	ZINC000826074982	603121858	/nfs/dbraw/zinc/12/18/58/603121858.db2.gz	SPBOSPVPMLOSSX-JTQLQIEISA-N	-1	0	309.347	0.931	20	30		DCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000831118276	603189722	/nfs/dbraw/zinc/18/97/22/603189722.db2.gz	SJZAESJUXPNUCS-SNVBAGLBSA-N	-1	0	324.362	0.760	20	30		DCEDRM
CC(C)(C)n1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cn1	ZINC000823875557	603591655	/nfs/dbraw/zinc/59/16/55/603591655.db2.gz	BLILBBLXQOASDL-NSHDSACASA-N	-1	0	305.338	0.966	20	30		DCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CCS(=O)(=O)c1ccccc1	ZINC000831091586	603730093	/nfs/dbraw/zinc/73/00/93/603730093.db2.gz	IGZRXFNLMLUTEI-GFCCVEGCSA-N	-1	0	323.374	0.648	20	30		DCEDRM
C=CCOc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000823516649	603781562	/nfs/dbraw/zinc/78/15/62/603781562.db2.gz	QSYHWJAKXAUUKE-OLZOCXBDSA-N	-1	0	320.345	0.981	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCN1C1CC1	ZINC000831075750	603892954	/nfs/dbraw/zinc/89/29/54/603892954.db2.gz	CTEBYEPFRYRZLT-SMDDNHRTSA-N	-1	0	310.329	0.277	20	30		DCEDRM
N#CCNC(=O)COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-]	ZINC000831102810	603931066	/nfs/dbraw/zinc/93/10/66/603931066.db2.gz	VGSYTVNEZOKMSD-GHMZBOCLSA-N	-1	0	311.338	0.776	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)C1CC1	ZINC000823648300	604037786	/nfs/dbraw/zinc/03/77/86/604037786.db2.gz	SFINVZSBVPLVBH-CCUNJIBTSA-N	-1	0	323.349	0.774	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1COc2ccccc2O1	ZINC000831076684	604072906	/nfs/dbraw/zinc/07/29/06/604072906.db2.gz	RANDNAJGUPFLNJ-GXFFZTMASA-N	-1	0	317.301	0.541	20	30		DCEDRM
Cn1ncc2cc(C(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)cnc21	ZINC000831059794	604078435	/nfs/dbraw/zinc/07/84/35/604078435.db2.gz	XTWKQTNIQVNVAM-LLVKDONJSA-N	-1	0	314.305	0.296	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1cn2ccccc2n1	ZINC000831086276	604078491	/nfs/dbraw/zinc/07/84/91/604078491.db2.gz	CXBPKTZREYKCSF-LBPRGKRZSA-N	-1	0	313.317	0.591	20	30		DCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC000824863573	604088712	/nfs/dbraw/zinc/08/87/12/604088712.db2.gz	XGDBLIWQDXCONC-SNVBAGLBSA-N	-1	0	305.338	0.727	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])n1	ZINC000830985759	604154482	/nfs/dbraw/zinc/15/44/82/604154482.db2.gz	VZDIMXAIRORHBY-SCZZXKLOSA-N	-1	0	306.326	0.850	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)NC2CCC(NC(=O)[O-])CC2)n1	ZINC000830985455	604154616	/nfs/dbraw/zinc/15/46/16/604154616.db2.gz	QNNPAIJBMGINBM-UHFFFAOYSA-N	-1	0	306.326	0.992	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)n1	ZINC000830985736	604154836	/nfs/dbraw/zinc/15/48/36/604154836.db2.gz	VLDJUBPLRFQWOG-VIFPVBQESA-N	-1	0	306.326	0.803	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)NC2CCN(C(=O)[O-])CC2)cc1	ZINC000831131910	604173831	/nfs/dbraw/zinc/17/38/31/604173831.db2.gz	FVWRATAUMXWESZ-UHFFFAOYSA-N	-1	0	316.317	0.755	20	30		DCEDRM
CC(C)NC(=O)[C@@H](C#N)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000824368212	604220897	/nfs/dbraw/zinc/22/08/97/604220897.db2.gz	KQKAHJYAGDGUDK-MNOVXSKESA-N	-1	0	311.338	0.379	20	30		DCEDRM
C#CCNC(=O)[C@H](C)N1CCC(N(CC2CC2)C(=O)[O-])CC1	ZINC000823455216	604234619	/nfs/dbraw/zinc/23/46/19/604234619.db2.gz	AWPRFISLWHUNJP-LBPRGKRZSA-N	-1	0	307.394	0.979	20	30		DCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000823505981	604242200	/nfs/dbraw/zinc/24/22/00/604242200.db2.gz	ALIATZQKNRLEGZ-RKDXNWHRSA-N	-1	0	315.326	0.176	20	30		DCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)C[C@@H]1CCCCO1	ZINC000831091792	604244501	/nfs/dbraw/zinc/24/45/01/604244501.db2.gz	KWCXESHHKWNEOF-QWRGUYRKSA-N	-1	0	317.367	0.073	20	30		DCEDRM
N#Cc1ncn(CC(=O)Nc2nc(CCCC(=O)[O-])cs2)n1	ZINC000833078295	604336029	/nfs/dbraw/zinc/33/60/29/604336029.db2.gz	GASJUNTXDUTHLR-UHFFFAOYSA-N	-1	0	320.334	0.652	20	30		DCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCO1	ZINC000825350255	604364782	/nfs/dbraw/zinc/36/47/82/604364782.db2.gz	HQHOWZYBIGWXDW-TUKIKUTGSA-N	-1	0	319.361	0.949	20	30		DCEDRM
N#C[C@@H](C(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCCC1	ZINC000831064557	604385799	/nfs/dbraw/zinc/38/57/99/604385799.db2.gz	JJCPQBJAYLAWAI-QWRGUYRKSA-N	-1	0	309.322	0.087	20	30		DCEDRM
CN1CCN(C(=O)Cc2cccc(C#N)c2)[C@H](CNC(=O)[O-])C1	ZINC000828499918	604400031	/nfs/dbraw/zinc/40/00/31/604400031.db2.gz	BUVSEDWMXGJXPL-CQSZACIVSA-N	-1	0	316.361	0.511	20	30		DCEDRM
C[C@@H](Oc1ccc(C=NN2CC(=O)N(C)C2=O)cc1)C(=O)[O-]	ZINC000794921812	604536836	/nfs/dbraw/zinc/53/68/36/604536836.db2.gz	GFAPCBFKYJWSOK-SECBINFHSA-N	-1	0	305.290	0.766	20	30		DCEDRM
C=CCSCCNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823516864	604543758	/nfs/dbraw/zinc/54/37/58/604543758.db2.gz	WYYNOTSBPYKHGL-WDEREUQCSA-N	-1	0	317.411	0.972	20	30		DCEDRM
CCN(CCC#N)C(=O)CN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000827111481	604606457	/nfs/dbraw/zinc/60/64/57/604606457.db2.gz	OQYWZVMYOOQXOV-VXGBXAGGSA-N	-1	0	312.370	0.105	20	30		DCEDRM
CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000828366088	604693651	/nfs/dbraw/zinc/69/36/51/604693651.db2.gz	RFLMEXGGXKYUKT-ZDUSSCGKSA-N	-1	0	303.318	0.895	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823495941	604720465	/nfs/dbraw/zinc/72/04/65/604720465.db2.gz	AUQXRARJMWMDCJ-QJPTWQEYSA-N	-1	0	300.355	0.851	20	30		DCEDRM
O=C([O-])N[C@@H]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC000832365563	604855647	/nfs/dbraw/zinc/85/56/47/604855647.db2.gz	KVTBSXAEWIFATO-LLVKDONJSA-N	-1	0	302.286	0.635	20	30		DCEDRM
C[C@](C#N)(NC(=O)COC(=O)c1cnccc1C(=O)[O-])C1CC1	ZINC000825967054	604871958	/nfs/dbraw/zinc/87/19/58/604871958.db2.gz	QSFFWGXBKBDEEA-OAHLLOKOSA-N	-1	0	317.301	0.745	20	30		DCEDRM
COC[C@](C)(NC(=O)Cc1cccc(OCC#N)c1)C(=O)[O-]	ZINC000833721626	604910967	/nfs/dbraw/zinc/91/09/67/604910967.db2.gz	QCQKRCUEJUOXFP-HNNXBMFYSA-N	-1	0	306.318	0.737	20	30		DCEDRM
C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)CCOC	ZINC000833376297	604911197	/nfs/dbraw/zinc/91/11/97/604911197.db2.gz	RPSYLRPREFKUQW-UHFFFAOYSA-N	-1	0	306.365	0.810	20	30		DCEDRM
COc1cccc(C#CCOC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000829531001	605083096	/nfs/dbraw/zinc/08/30/96/605083096.db2.gz	FBASOPFLUUDIIF-AWEZNQCLSA-N	-1	0	319.313	0.969	20	30		DCEDRM
N#CCN1CCC(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000831102463	605300715	/nfs/dbraw/zinc/30/07/15/605300715.db2.gz	KGQQNRZNDQGNPS-ZDUSSCGKSA-N	-1	0	324.381	0.250	20	30		DCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833515771	605391132	/nfs/dbraw/zinc/39/11/32/605391132.db2.gz	MBMCGTZKTGLEBF-ZETCQYMHSA-N	-1	0	313.291	0.873	20	30		DCEDRM
C#CCOCCNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC000833366405	605445509	/nfs/dbraw/zinc/44/55/09/605445509.db2.gz	VSIVUEYAWOMDRN-UHFFFAOYSA-N	-1	0	306.318	0.532	20	30		DCEDRM
C[C@H]1C[C@H](NC(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000825846226	605537057	/nfs/dbraw/zinc/53/70/57/605537057.db2.gz	UGLDYIFJCQVIKG-VHSXEESVSA-N	-1	0	324.362	0.762	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828272678	605549668	/nfs/dbraw/zinc/54/96/68/605549668.db2.gz	HUBWHIWIEZXOAN-LLVKDONJSA-N	-1	0	316.383	0.293	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000739130128	605629095	/nfs/dbraw/zinc/62/90/95/605629095.db2.gz	LSCRVMAYFIBFIN-NSHDSACASA-N	-1	0	309.347	0.979	20	30		DCEDRM
C=C(C)CN(CC)C(=O)COC(=O)c1cnc(C(=O)[O-])cn1	ZINC000833369426	605639500	/nfs/dbraw/zinc/63/95/00/605639500.db2.gz	XQVZDVVZHNXILK-UHFFFAOYSA-N	-1	0	307.306	0.756	20	30		DCEDRM
Cc1onc(CC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)c1C#N	ZINC000833935457	605695836	/nfs/dbraw/zinc/69/58/36/605695836.db2.gz	GWKAURNNXMTYGX-SNVBAGLBSA-N	-1	0	306.322	0.903	20	30		DCEDRM
Cc1onc(CC(=O)N2C[C@H](C)N(C(=O)[O-])C[C@@H]2C)c1C#N	ZINC000833936191	605699891	/nfs/dbraw/zinc/69/98/91/605699891.db2.gz	LOMGFTZOZVIFFP-IUCAKERBSA-N	-1	0	306.322	0.996	20	30		DCEDRM
Cn1cc(C#N)c(NC(=O)C[C@H]2CSCCN2C(=O)[O-])n1	ZINC000830985417	605706333	/nfs/dbraw/zinc/70/63/33/605706333.db2.gz	PKJWNFHPXXSFKO-VIFPVBQESA-N	-1	0	309.351	0.716	20	30		DCEDRM
CC(C)C[C@](C)(CNC(=O)[O-])NC(=O)Cn1cnc(C#N)n1	ZINC000824175589	605724853	/nfs/dbraw/zinc/72/48/53/605724853.db2.gz	BXZHIOZEMKQHBZ-CYBMUJFWSA-N	-1	0	308.342	0.338	20	30		DCEDRM
N#CCOc1ccc(CNC(=O)NCC2CN(C(=O)[O-])C2)cc1	ZINC000833967079	605733503	/nfs/dbraw/zinc/73/35/03/605733503.db2.gz	OLTRLDPNADRFDF-UHFFFAOYSA-N	-1	0	318.333	0.998	20	30		DCEDRM
N#CCCNC(=O)COC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000831097129	605824231	/nfs/dbraw/zinc/82/42/31/605824231.db2.gz	DGRKVCWXXVFPAV-SECBINFHSA-N	-1	0	315.351	0.045	20	30		DCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823455193	605824994	/nfs/dbraw/zinc/82/49/94/605824994.db2.gz	AODPUHRSIVDTQL-ZJUUUORDSA-N	-1	0	314.363	0.153	20	30		DCEDRM
C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000833895750	605846284	/nfs/dbraw/zinc/84/62/84/605846284.db2.gz	GOUBYGIPWLOZIJ-MFKMUULPSA-N	-1	0	303.318	0.802	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)NC[C@@H](NC(=O)[O-])C2CC2)cc1	ZINC000833973121	605850373	/nfs/dbraw/zinc/85/03/73/605850373.db2.gz	KPKRDXRSIZFWLK-CHWSQXEVSA-N	-1	0	303.318	0.754	20	30		DCEDRM
N#C[C@H]1CSCCN1CN1CC2(CN(C(=O)[O-])C2)CC1=O	ZINC000833966078	605949053	/nfs/dbraw/zinc/94/90/53/605949053.db2.gz	HKLQDUDBBBSDIM-JTQLQIEISA-N	-1	0	310.379	0.097	20	30		DCEDRM
N#CCCn1ccc(NC(=O)c2cnc(NC(=O)[O-])cn2)n1	ZINC000833966121	606025118	/nfs/dbraw/zinc/02/51/18/606025118.db2.gz	ZSTJCLJRCIINCL-UHFFFAOYSA-N	-1	0	301.266	0.929	20	30		DCEDRM
N#Cc1cccc(CNC(=O)CCOC2CN(C(=O)[O-])C2)c1	ZINC000833978230	606080879	/nfs/dbraw/zinc/08/08/79/606080879.db2.gz	GLURNQUZXWTHAR-UHFFFAOYSA-N	-1	0	303.318	0.943	20	30		DCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)s1	ZINC000820132411	606176594	/nfs/dbraw/zinc/17/65/94/606176594.db2.gz	JRGCIRFABRIKGT-ZETCQYMHSA-N	-1	0	304.335	0.775	20	30		DCEDRM
C#Cc1cccc(N(CC)C(=O)Cn2cnc(-c3nnn[n-]3)n2)c1	ZINC000819709524	607213767	/nfs/dbraw/zinc/21/37/67/607213767.db2.gz	HYMBOQKFQORSDT-UHFFFAOYSA-N	-1	0	322.332	0.493	20	30		DCEDRM
C=C(Cl)CN(C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000971868934	657929993	/nfs/dbraw/zinc/92/99/93/657929993.db2.gz	IMKIRZISMJCBIP-MRVPVSSYSA-N	-1	0	313.745	0.182	20	30		DCEDRM
CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CCC#N	ZINC000451457391	658329714	/nfs/dbraw/zinc/32/97/14/658329714.db2.gz	MSRWDYJEDHOHQY-ZETCQYMHSA-N	-1	0	302.274	0.704	20	30		DCEDRM
Cc1ncc(S(=O)(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1C#N	ZINC000261771844	661640769	/nfs/dbraw/zinc/64/07/69/661640769.db2.gz	WAGYJYLATKTTMF-CYBMUJFWSA-N	-1	0	309.347	0.747	20	30		DCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)Cc2ccon2)cc1	ZINC000747183790	661657386	/nfs/dbraw/zinc/65/73/86/661657386.db2.gz	RILZGSZDOFKOTR-UHFFFAOYSA-N	-1	0	321.314	0.571	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCOC2)c1	ZINC000740543332	662416616	/nfs/dbraw/zinc/41/66/16/662416616.db2.gz	OBMBQMPGIZOXKH-LBPRGKRZSA-N	-1	0	308.359	0.931	20	30		DCEDRM
C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C	ZINC000986488607	662593811	/nfs/dbraw/zinc/59/38/11/662593811.db2.gz	QKDPTOICXDUDCI-HTQZYQBOSA-N	-1	0	313.745	0.228	20	30		DCEDRM
C[C@@H]1[C@@H](NCC#N)CCN1C(=O)c1cnc(C2CC2)[nH]c1=O	ZINC000987135529	662647362	/nfs/dbraw/zinc/64/73/62/662647362.db2.gz	HTQVDQMWOKQTEQ-SKDRFNHKSA-N	-1	0	301.350	0.776	20	30		DCEDRM
C#CC[C@H](CCOC)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000876072196	668411143	/nfs/dbraw/zinc/41/11/43/668411143.db2.gz	UWQYTTLODKPDEB-SECBINFHSA-N	-1	0	308.300	0.988	20	30		DCEDRM
C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000937829692	662827794	/nfs/dbraw/zinc/82/77/94/662827794.db2.gz	WMDDFKPSXHYZDA-JTQLQIEISA-N	-1	0	306.366	0.967	20	30		DCEDRM
Cn1nc2c(c1/C=C\C(=O)c1cnc([O-])n(C)c1=O)CCC2	ZINC000899363122	663140434	/nfs/dbraw/zinc/14/04/34/663140434.db2.gz	DXBXCIRDJOCTBF-SREVYHEPSA-N	-1	0	300.318	0.604	20	30		DCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)CC[C@@H]2CCOC2)C1	ZINC000899926912	663201162	/nfs/dbraw/zinc/20/11/62/663201162.db2.gz	PSFGNMMGNWBJRS-OLZOCXBDSA-N	-1	0	315.391	0.543	20	30		DCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000899938477	663202769	/nfs/dbraw/zinc/20/27/69/663202769.db2.gz	MGDOUWSTBABKAY-PJXYFTJBSA-N	-1	0	306.343	0.818	20	30		DCEDRM
C=C(Br)CNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000906425094	663615911	/nfs/dbraw/zinc/61/59/11/663615911.db2.gz	ISMPTPNEUXZJPC-UHFFFAOYSA-N	-1	0	305.132	0.494	20	30		DCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1CC	ZINC000906933082	663652480	/nfs/dbraw/zinc/65/24/80/663652480.db2.gz	NWGFTNDSPXHLFN-UHFFFAOYSA-N	-1	0	311.359	0.875	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000908767972	663768903	/nfs/dbraw/zinc/76/89/03/663768903.db2.gz	CWRURXGGNGUIOR-CQSZACIVSA-N	-1	0	302.330	0.993	20	30		DCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CCC[C@H]1OC)C(=O)[O-]	ZINC000908919404	663774522	/nfs/dbraw/zinc/77/45/22/663774522.db2.gz	DRGQJSQGNOHNCO-GRYCIOLGSA-N	-1	0	300.355	0.757	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@@H](c2ccnn2C)C1	ZINC000909221506	663787935	/nfs/dbraw/zinc/78/79/35/663787935.db2.gz	LWKPTSKMPIGGCB-DGCLKSJQSA-N	-1	0	322.365	0.922	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1c2c(nn1C)CCCC2)C(=O)[O-]	ZINC000909765859	663799918	/nfs/dbraw/zinc/79/99/18/663799918.db2.gz	GOZVACBPOGMXPN-GFCCVEGCSA-N	-1	0	307.350	0.685	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cn(C)nc1C(F)F)C(=O)[O-]	ZINC000909769592	663800286	/nfs/dbraw/zinc/80/02/86/663800286.db2.gz	AJIAQVBBJIXVIH-QMMMGPOBSA-N	-1	0	303.265	0.743	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)[C@H](O)CCc1ccccc1)C(=O)[O-]	ZINC000909771760	663800335	/nfs/dbraw/zinc/80/03/35/663800335.db2.gz	RFIIUWADZUOOSY-ZIAGYGMSSA-N	-1	0	307.346	0.752	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1ccnn1CC(F)(F)F)C(=O)[O-]	ZINC000909771720	663800551	/nfs/dbraw/zinc/80/05/51/663800551.db2.gz	PGJSXRMXYVKUAI-MRVPVSSYSA-N	-1	0	321.255	0.831	20	30		DCEDRM
C#CC[C@@H](NC(=O)CNC(=O)c1ccc(C)c(C)c1)C(=O)[O-]	ZINC000910054890	663837891	/nfs/dbraw/zinc/83/78/91/663837891.db2.gz	ZIQLRWCLPYAQPV-CYBMUJFWSA-N	-1	0	302.330	0.626	20	30		DCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(c1)CCN2C(C)=O)C(=O)[O-]	ZINC000910053876	663838015	/nfs/dbraw/zinc/83/80/15/663838015.db2.gz	YYFBGLQKUMGNQT-CYBMUJFWSA-N	-1	0	300.314	0.802	20	30		DCEDRM
C#CCO[C@H](C)C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F	ZINC000910352135	663876670	/nfs/dbraw/zinc/87/66/70/663876670.db2.gz	IQEPQMKKWVVQLC-HTQZYQBOSA-N	-1	0	313.297	0.890	20	30		DCEDRM
C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC000910528188	663900070	/nfs/dbraw/zinc/90/00/70/663900070.db2.gz	UTJPRTQNHKGPGM-INIZCTEOSA-N	-1	0	321.329	0.922	20	30		DCEDRM
C#CCOc1ccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1	ZINC000913496196	664327879	/nfs/dbraw/zinc/32/78/79/664327879.db2.gz	VHGCOERITQMOOC-ZDUSSCGKSA-N	-1	0	313.317	0.425	20	30		DCEDRM
CN(C)CC#CCNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000913522861	664335103	/nfs/dbraw/zinc/33/51/03/664335103.db2.gz	CBQLBDCYAQCRGG-UHFFFAOYSA-N	-1	0	300.318	0.325	20	30		DCEDRM
Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cn1	ZINC000171326526	664607304	/nfs/dbraw/zinc/60/73/04/664607304.db2.gz	IVUJFNKZSWQVJN-UHFFFAOYSA-N	-1	0	304.331	0.339	20	30		DCEDRM
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H]2CCC[C@@H](NCC#N)[C@H]2C1	ZINC000992785967	664768527	/nfs/dbraw/zinc/76/85/27/664768527.db2.gz	JGMFDPWIUHNFTA-RWMBFGLXSA-N	-1	0	315.377	0.845	20	30		DCEDRM
N#Cc1cn(CCC(=O)N2CCC[C@@H](CF)C2)c(=O)[n-]c1=O	ZINC000914425455	664778933	/nfs/dbraw/zinc/77/89/33/664778933.db2.gz	LOWIPQLZZGTOAM-JTQLQIEISA-N	-1	0	308.313	0.419	20	30		DCEDRM
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001031077424	664786622	/nfs/dbraw/zinc/78/66/22/664786622.db2.gz	TZGCOFMAOSXEHR-AAEUAGOBSA-N	-1	0	321.381	0.182	20	30		DCEDRM
COc1ccc(C#N)cc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730540193	664791137	/nfs/dbraw/zinc/79/11/37/664791137.db2.gz	MBVYGFNTLFVHFP-UHFFFAOYSA-N	-1	0	324.300	0.590	20	30		DCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1	ZINC000153394266	664833972	/nfs/dbraw/zinc/83/39/72/664833972.db2.gz	PTLQFCVDTMNQAU-SECBINFHSA-N	-1	0	313.273	0.849	20	30		DCEDRM
O=C([O-])Cn1cc(CN=Nc2ccc(C(F)(F)F)nn2)nn1	ZINC000754709060	664877502	/nfs/dbraw/zinc/87/75/02/664877502.db2.gz	MDOYFUSAGOXRSQ-UHFFFAOYSA-N	-1	0	315.215	0.618	20	30		DCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1ccc(C=NOC)cc1	ZINC000732509113	664939830	/nfs/dbraw/zinc/93/98/30/664939830.db2.gz	YITNASZPUAHTSU-UHFFFAOYSA-N	-1	0	314.363	0.763	20	30		DCEDRM
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1ccc(F)cc1	ZINC000732908089	664973280	/nfs/dbraw/zinc/97/32/80/664973280.db2.gz	HQQVCNMEDQCPFN-GFCCVEGCSA-N	-1	0	324.333	0.405	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(N)=O)cc1	ZINC000916875460	665098301	/nfs/dbraw/zinc/09/83/01/665098301.db2.gz	OHOXODINMPIHRF-GFCCVEGCSA-N	-1	0	318.333	0.652	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c([N+](=O)[O-])c1	ZINC000916889011	665099098	/nfs/dbraw/zinc/09/90/98/665099098.db2.gz	HRPFKQJSPBOWDG-SNVBAGLBSA-N	-1	0	321.289	0.688	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(NC(C)=O)c1	ZINC000916890441	665099168	/nfs/dbraw/zinc/09/91/68/665099168.db2.gz	HMCHGPIEFFYHMO-CYBMUJFWSA-N	-1	0	303.318	0.730	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cncn2)cc1	ZINC000916892815	665099452	/nfs/dbraw/zinc/09/94/52/665099452.db2.gz	QHUJNFRONHAAFC-CYBMUJFWSA-N	-1	0	313.317	0.352	20	30		DCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)C2=NNC(=O)CC2)n1	ZINC000921249355	665292237	/nfs/dbraw/zinc/29/22/37/665292237.db2.gz	RINLYWDIIYKYLV-QMMMGPOBSA-N	-1	0	320.330	0.437	20	30		DCEDRM
Cn1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)c(=O)n(C)c1=O	ZINC000170851792	665337038	/nfs/dbraw/zinc/33/70/38/665337038.db2.gz	GHAQQSLXXVVEES-SNAWJCMRSA-N	-1	0	304.277	0.825	20	30		DCEDRM
CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]CCC#N	ZINC000451457390	666208619	/nfs/dbraw/zinc/20/86/19/666208619.db2.gz	MSRWDYJEDHOHQY-SSDOTTSWSA-N	-1	0	302.274	0.704	20	30		DCEDRM
C#CC[N@H+]1CCC[C@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)CC1	ZINC000948673881	666465661	/nfs/dbraw/zinc/46/56/61/666465661.db2.gz	KZTQEUKSBIAPGR-LBPRGKRZSA-N	-1	0	318.377	0.046	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000863407683	667140156	/nfs/dbraw/zinc/14/01/56/667140156.db2.gz	KKZWYTZDURCPBP-LBPRGKRZSA-N	-1	0	310.331	0.410	20	30		DCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)[O-]	ZINC000863421822	667142356	/nfs/dbraw/zinc/14/23/56/667142356.db2.gz	WMPCGPBSDNJHAP-VIFPVBQESA-N	-1	0	307.759	0.777	20	30		DCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCCOC1	ZINC000771055263	667143876	/nfs/dbraw/zinc/14/38/76/667143876.db2.gz	GQIINVJFYCCKHG-GFCCVEGCSA-N	-1	0	300.380	0.943	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)CSC(F)F)C2)c(=O)[n-]c1=O	ZINC000863934719	667195197	/nfs/dbraw/zinc/19/51/97/667195197.db2.gz	MVCQTLYJWRLQMR-UHFFFAOYSA-N	-1	0	316.289	0.160	20	30		DCEDRM
C#CCCN1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1	ZINC000866598932	667383317	/nfs/dbraw/zinc/38/33/17/667383317.db2.gz	VNELCTWCQAIFHX-UHFFFAOYSA-N	-1	0	312.366	0.861	20	30		DCEDRM
CC(C)(C#N)C(=O)N1CCN(c2ccc(C(=O)[O-])cn2)CC1	ZINC000923110462	667461924	/nfs/dbraw/zinc/46/19/24/667461924.db2.gz	AASTYVWXNDVHGR-UHFFFAOYSA-N	-1	0	302.334	0.978	20	30		DCEDRM
CCO[N-]C(=O)CNC(=O)N(C)CCc1cccc(C#N)c1	ZINC000868749248	667597275	/nfs/dbraw/zinc/59/72/75/667597275.db2.gz	ZVIOAGCGQKFLRH-UHFFFAOYSA-N	-1	0	304.350	0.810	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C	ZINC000869154037	667631908	/nfs/dbraw/zinc/63/19/08/667631908.db2.gz	KKQOCDWOULKQOY-HONMWMINSA-N	-1	0	322.365	0.331	20	30		DCEDRM
COC(=O)CN(CC#N)C(=O)c1n[n-]c2ccccc2c1=O	ZINC000737857605	667635949	/nfs/dbraw/zinc/63/59/49/667635949.db2.gz	OWFFDYDNPYWFQR-UHFFFAOYSA-N	-1	0	300.274	0.474	20	30		DCEDRM
CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870693779	667752488	/nfs/dbraw/zinc/75/24/88/667752488.db2.gz	UJFMKLGLXNQELO-GFCCVEGCSA-N	-1	0	309.347	0.392	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(CC(C)C)C2)CC1	ZINC000870832165	667765012	/nfs/dbraw/zinc/76/50/12/667765012.db2.gz	VTKZQYZDAATUAN-NSHDSACASA-N	-1	0	314.407	0.656	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](OCC)C2CCOCC2)CC1	ZINC000870839398	667765481	/nfs/dbraw/zinc/76/54/81/667765481.db2.gz	KHEFQIOUVAWEPP-GFCCVEGCSA-N	-1	0	317.407	0.983	20	30		DCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCOC[C@@H]2OCC)CC1	ZINC000870840091	667765492	/nfs/dbraw/zinc/76/54/92/667765492.db2.gz	INKPKNBVQLPMTR-NEPJUHHUSA-N	-1	0	317.407	0.983	20	30		DCEDRM
Cc1cc(C#N)ccc1C(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000748875212	667941843	/nfs/dbraw/zinc/94/18/43/667941843.db2.gz	FQKDKEJKINJXSM-UHFFFAOYSA-N	-1	0	309.347	0.174	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000753946142	668038607	/nfs/dbraw/zinc/03/86/07/668038607.db2.gz	ZPWBKDGRISRSQN-UHFFFAOYSA-N	-1	0	309.303	0.958	20	30		DCEDRM
CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000755580931	668062395	/nfs/dbraw/zinc/06/23/95/668062395.db2.gz	DPMUVTBZCFNOBI-CYBMUJFWSA-N	-1	0	323.374	0.084	20	30		DCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cnn(C)c1)OCC	ZINC000756519587	668091219	/nfs/dbraw/zinc/09/12/19/668091219.db2.gz	QBWJESYMUGUUGF-NSHDSACASA-N	-1	0	301.368	0.596	20	30		DCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)OCC	ZINC000756567459	668093675	/nfs/dbraw/zinc/09/36/75/668093675.db2.gz	LGAFYQVFZKEEIJ-LLVKDONJSA-N	-1	0	306.384	0.051	20	30		DCEDRM
CCN(CC)S(=O)(=O)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759720585	668233721	/nfs/dbraw/zinc/23/37/21/668233721.db2.gz	NRFRUPGPVQVWHM-UHFFFAOYSA-N	-1	0	311.363	0.874	20	30		DCEDRM
COc1ccccc1CS(=O)(=O)[N-]C(=O)CSCC#N	ZINC000760366898	668269412	/nfs/dbraw/zinc/26/94/12/668269412.db2.gz	WHHNUIUAAZUNPD-UHFFFAOYSA-N	-1	0	314.388	0.898	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@H]1Oc2ccccc2NC1=O	ZINC000762069947	668345398	/nfs/dbraw/zinc/34/53/98/668345398.db2.gz	ZPWHRTMAUKUQHY-GFCCVEGCSA-N	-1	0	304.302	0.875	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)c1csc(S(N)(=O)=O)c1	ZINC000762067671	668345547	/nfs/dbraw/zinc/34/55/47/668345547.db2.gz	WKRPZYYVYJBDBO-UHFFFAOYSA-N	-1	0	304.349	0.108	20	30		DCEDRM
N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000762125472	668347502	/nfs/dbraw/zinc/34/75/02/668347502.db2.gz	AMXSDLPUYOISQX-NSHDSACASA-N	-1	0	324.358	0.420	20	30		DCEDRM
CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000762627120	668369621	/nfs/dbraw/zinc/36/96/21/668369621.db2.gz	YQXGBLHWHCJBFO-UHFFFAOYSA-N	-1	0	324.358	0.952	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12	ZINC000763034188	668392688	/nfs/dbraw/zinc/39/26/88/668392688.db2.gz	QXHIIZUBIYULMO-GZMMTYOYSA-N	-1	0	304.393	0.072	20	30		DCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000764151677	668435712	/nfs/dbraw/zinc/43/57/12/668435712.db2.gz	OMZMSKUPFPXLBC-SNVBAGLBSA-N	-1	0	312.347	0.418	20	30		DCEDRM
Cn1nc(COC(=O)c2ccc(NC(=O)CC#N)cc2)[n-]c1=O	ZINC000765399485	668487914	/nfs/dbraw/zinc/48/79/14/668487914.db2.gz	YQXXUUMIKSQOGO-UHFFFAOYSA-N	-1	0	315.289	0.318	20	30		DCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)/C=C\c1ccccc1C#N	ZINC000765640742	668503369	/nfs/dbraw/zinc/50/33/69/668503369.db2.gz	IELQDSBLIFNSNR-SREVYHEPSA-N	-1	0	316.342	0.810	20	30		DCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C[C@H](C)OC	ZINC000766980896	668555559	/nfs/dbraw/zinc/55/55/59/668555559.db2.gz	BPYJBPNZLYLFOB-VIFPVBQESA-N	-1	0	312.347	0.797	20	30		DCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCCNC(=O)C1CC1	ZINC000770730495	668709991	/nfs/dbraw/zinc/70/99/91/668709991.db2.gz	PJKXIIVJBVZSFG-NSHDSACASA-N	-1	0	302.334	0.618	20	30		DCEDRM
CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771075815	668730134	/nfs/dbraw/zinc/73/01/34/668730134.db2.gz	AMPAHSMFIKBSTG-LLVKDONJSA-N	-1	0	318.395	0.568	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1	ZINC000772721212	668782493	/nfs/dbraw/zinc/78/24/93/668782493.db2.gz	HJKJAKSFTCSMEZ-UHFFFAOYSA-N	-1	0	306.347	0.442	20	30		DCEDRM
CCOCCO[N-]C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000773633712	668810026	/nfs/dbraw/zinc/81/00/26/668810026.db2.gz	OWVIDTVWJKPSTD-UHFFFAOYSA-N	-1	0	307.306	0.612	20	30		DCEDRM
COC(=O)[C@@H](C)n1cccc1C=NNc1nnc(C)c(=O)[n-]1	ZINC000774575060	668838683	/nfs/dbraw/zinc/83/86/83/668838683.db2.gz	ZOJFAYYOVIGOEW-SECBINFHSA-N	-1	0	304.310	0.867	20	30		DCEDRM
CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000775229423	668859450	/nfs/dbraw/zinc/85/94/50/668859450.db2.gz	GAGWQFGYXOVGQV-UHFFFAOYSA-N	-1	0	322.342	0.706	20	30		DCEDRM
C#C[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@H]1CCCO1	ZINC000775325695	668860612	/nfs/dbraw/zinc/86/06/12/668860612.db2.gz	CAQYHYRXKDHZBP-GHMZBOCLSA-N	-1	0	314.301	0.347	20	30		DCEDRM
C#C[C@@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)[C@@H]1CCCO1	ZINC000775347404	668861310	/nfs/dbraw/zinc/86/13/10/668861310.db2.gz	LXNFHBBQKRUHTH-OCCSQVGLSA-N	-1	0	322.386	0.969	20	30		DCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccn(C(F)F)n1	ZINC000776076588	668870658	/nfs/dbraw/zinc/87/06/58/668870658.db2.gz	NTFKLQLZPBKBJA-MRVPVSSYSA-N	-1	0	300.265	0.753	20	30		DCEDRM
N#CCCCS(=O)(=O)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC000776599517	668879042	/nfs/dbraw/zinc/87/90/42/668879042.db2.gz	HVSSPSINYONIJL-LLVKDONJSA-N	-1	0	304.368	0.479	20	30		DCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnc(OCCOC)c1	ZINC000777300897	668886230	/nfs/dbraw/zinc/88/62/30/668886230.db2.gz	ATGWLONVAZPNEH-LBPRGKRZSA-N	-1	0	303.318	0.731	20	30		DCEDRM
N#CC(C(=O)NCc1ccccc1)=C([O-])c1cnc2n[nH]nc2c1	ZINC000783076290	669142457	/nfs/dbraw/zinc/14/24/57/669142457.db2.gz	IDEZHSBBILMMNX-GFCCVEGCSA-N	-1	0	320.312	0.992	20	30		DCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cnn(CC)c1	ZINC000783112332	669144194	/nfs/dbraw/zinc/14/41/94/669144194.db2.gz	ZRCXCDQQERLOND-ZDUSSCGKSA-N	-1	0	315.395	0.937	20	30		DCEDRM
C[C@@]1(C(=O)OCc2cc(=O)n3[n-]cc(C#N)c3n2)CCCO1	ZINC000784086476	669188837	/nfs/dbraw/zinc/18/88/37/669188837.db2.gz	VJWCVONCORWMPJ-AWEZNQCLSA-N	-1	0	302.290	0.919	20	30		DCEDRM
CC(=O)C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000787933226	669412451	/nfs/dbraw/zinc/41/24/51/669412451.db2.gz	HRVYHUSPTRJMIK-LBPRGKRZSA-N	-1	0	310.331	0.410	20	30		DCEDRM
CC(=O)C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000787934268	669413337	/nfs/dbraw/zinc/41/33/37/669413337.db2.gz	LWTXROGURNHEII-SNVBAGLBSA-N	-1	0	314.294	0.408	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnc2)cc1	ZINC000791110674	669594066	/nfs/dbraw/zinc/59/40/66/669594066.db2.gz	HBEZGSGXLATKQG-UHFFFAOYSA-N	-1	0	304.331	0.350	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1Cn1cncn1	ZINC000791110319	669594122	/nfs/dbraw/zinc/59/41/22/669594122.db2.gz	CBROQUGIJLLBPK-UHFFFAOYSA-N	-1	0	318.358	0.409	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCCO1	ZINC000791110296	669594425	/nfs/dbraw/zinc/59/44/25/669594425.db2.gz	BHHKYQKMOLFNQQ-RYUDHWBXSA-N	-1	0	303.380	0.430	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cccc(C(=O)OC)c1	ZINC000810783780	669684802	/nfs/dbraw/zinc/68/48/02/669684802.db2.gz	DYZPMENQWIDCRE-UHFFFAOYSA-N	-1	0	309.343	0.485	20	30		DCEDRM
COC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CCOCC1	ZINC000793111324	669702319	/nfs/dbraw/zinc/70/23/19/669702319.db2.gz	DKRIWGXWUBMLNO-UHFFFAOYSA-N	-1	0	324.358	0.559	20	30		DCEDRM
COc1ccc(CNC(=O)C(C#N)=C([O-])c2cnn(C)n2)cc1	ZINC000793122922	669702449	/nfs/dbraw/zinc/70/24/49/669702449.db2.gz	DCAYMXVENITREH-LBPRGKRZSA-N	-1	0	313.317	0.463	20	30		DCEDRM
CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793205788	669707531	/nfs/dbraw/zinc/70/75/31/669707531.db2.gz	PZZHJGRDYAVGTF-UHFFFAOYSA-N	-1	0	315.395	0.385	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCn1cnc2ccccc2c1=O	ZINC000132740459	669743648	/nfs/dbraw/zinc/74/36/48/669743648.db2.gz	XEWVODXLTZAJCA-UHFFFAOYSA-N	-1	0	321.358	0.419	20	30		DCEDRM
COCCN(C)N=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000794974633	669869037	/nfs/dbraw/zinc/86/90/37/669869037.db2.gz	OBBLPNLXUCTCMD-UHFFFAOYSA-N	-1	0	311.294	0.970	20	30		DCEDRM
O=C([N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)c1ccco1	ZINC000046930484	669924174	/nfs/dbraw/zinc/92/41/74/669924174.db2.gz	XZYOGZWCWBRHLA-UHFFFAOYSA-N	-1	0	319.302	0.949	20	30		DCEDRM
N#Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc1	ZINC000796873826	669944763	/nfs/dbraw/zinc/94/47/63/669944763.db2.gz	MKIBOXWHJYXWHQ-UHFFFAOYSA-N	-1	0	304.331	0.719	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnn3c2OCCC3)CC1	ZINC000797061568	669954554	/nfs/dbraw/zinc/95/45/54/669954554.db2.gz	KSIKTNBLJPSGHK-UHFFFAOYSA-N	-1	0	310.335	0.029	20	30		DCEDRM
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000797091728	669955584	/nfs/dbraw/zinc/95/55/84/669955584.db2.gz	WJMFCHJDFGKGJD-HTQZYQBOSA-N	-1	0	314.319	0.408	20	30		DCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(F)c1C#N	ZINC000797303730	669965145	/nfs/dbraw/zinc/96/51/45/669965145.db2.gz	YKPHLISKGOJGIO-SSDOTTSWSA-N	-1	0	314.294	0.318	20	30		DCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000798200368	669991698	/nfs/dbraw/zinc/99/16/98/669991698.db2.gz	LKEIYOHABBEUMJ-VIFPVBQESA-N	-1	0	310.331	0.374	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)CNC(=O)Cc1cccc(F)c1	ZINC000191266531	669998701	/nfs/dbraw/zinc/99/87/01/669998701.db2.gz	KIKNWFRIARJORF-UHFFFAOYSA-N	-1	0	308.309	0.584	20	30		DCEDRM
C=CCN(CC(=O)[O-])C(=O)C(=O)NCCCc1ccccc1	ZINC000191267178	669998975	/nfs/dbraw/zinc/99/89/75/669998975.db2.gz	QRXWHJAYCRWEIY-UHFFFAOYSA-N	-1	0	304.346	0.835	20	30		DCEDRM
N#Cc1c[nH]c(C(=O)N2CCC[C@@H](NC(=O)c3cn[nH]n3)C2)c1	ZINC000950320138	670002405	/nfs/dbraw/zinc/00/24/05/670002405.db2.gz	PCHQGQUKOUVSAR-SNVBAGLBSA-N	-1	0	313.321	0.039	20	30		DCEDRM
C=CCN1CC[C@@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=O	ZINC000798658358	670018253	/nfs/dbraw/zinc/01/82/53/670018253.db2.gz	XHCYVGQOXFBWQA-MRVPVSSYSA-N	-1	0	322.283	0.774	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC	ZINC000802154693	670153242	/nfs/dbraw/zinc/15/32/42/670153242.db2.gz	IVRFNTZXRFFTBA-HBNTYKKESA-N	-1	0	321.395	0.611	20	30		DCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)CC1OCCO1	ZINC000802781887	670212417	/nfs/dbraw/zinc/21/24/17/670212417.db2.gz	IEPFKCICMIUKJB-UHFFFAOYSA-N	-1	0	314.294	0.265	20	30		DCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)cc1	ZINC000803005004	670232523	/nfs/dbraw/zinc/23/25/23/670232523.db2.gz	MEPQVFUUWYCLTL-AWEZNQCLSA-N	-1	0	322.386	0.973	20	30		DCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)cn1	ZINC000803000761	670232849	/nfs/dbraw/zinc/23/28/49/670232849.db2.gz	DZZQYLPIUBRGIK-JTQLQIEISA-N	-1	0	309.347	0.439	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2)n1	ZINC000193426253	670283464	/nfs/dbraw/zinc/28/34/64/670283464.db2.gz	IUXRKVSPVJZJKT-CYBMUJFWSA-N	-1	0	312.329	0.957	20	30		DCEDRM
C[C@H](NC(=O)C(=O)[N-]OC1CCOCC1)c1cccc(C#N)c1	ZINC000804402039	670292968	/nfs/dbraw/zinc/29/29/68/670292968.db2.gz	GVTFCMJTOLOXDD-NSHDSACASA-N	-1	0	317.345	0.962	20	30		DCEDRM
Cc1n[nH]c(C(=O)NCC2CCN(C(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC000949390375	670330684	/nfs/dbraw/zinc/33/06/84/670330684.db2.gz	DMZHJMAASOWSAY-VIFPVBQESA-N	-1	0	319.365	0.552	20	30		DCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)cc([N+](=O)[O-])c1	ZINC000194376337	670428581	/nfs/dbraw/zinc/42/85/81/670428581.db2.gz	PJPMWJDSMIBNSH-LBPRGKRZSA-N	-1	0	305.290	0.988	20	30		DCEDRM
Cn1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)nn1	ZINC000809003827	670434904	/nfs/dbraw/zinc/43/49/04/670434904.db2.gz	XSGCWNNNJIVBGH-VIFPVBQESA-N	-1	0	319.271	0.732	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC000810584930	670490887	/nfs/dbraw/zinc/49/08/87/670490887.db2.gz	XOOLDWFKLATMGR-UHFFFAOYSA-N	-1	0	323.370	0.610	20	30		DCEDRM
C#CCCN1CC(N(CC)C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC000952418561	670491157	/nfs/dbraw/zinc/49/11/57/670491157.db2.gz	VWENJNBDKGTFSQ-UHFFFAOYSA-N	-1	0	313.361	0.192	20	30		DCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC	ZINC000810671481	670493332	/nfs/dbraw/zinc/49/33/32/670493332.db2.gz	SKIAZIJTYWEEQK-JTQLQIEISA-N	-1	0	309.343	0.218	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2nnc3ccccc3n2)CC1	ZINC000810669193	670493417	/nfs/dbraw/zinc/49/34/17/670493417.db2.gz	OJOWRZQCOJHNRM-UHFFFAOYSA-N	-1	0	317.330	0.388	20	30		DCEDRM
COc1cccnc1CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000810692514	670494200	/nfs/dbraw/zinc/49/42/00/670494200.db2.gz	DOPANKRDUUMRRX-UHFFFAOYSA-N	-1	0	323.374	0.773	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(-c2ccc(C)cc2)nn1	ZINC000810771133	670496608	/nfs/dbraw/zinc/49/66/08/670496608.db2.gz	GTDUOVFZQGBGMC-UHFFFAOYSA-N	-1	0	318.358	0.659	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc([S@](C)=O)cc1	ZINC000810773129	670496649	/nfs/dbraw/zinc/49/66/49/670496649.db2.gz	SSNWUYTXDYPWDR-IBGZPJMESA-N	-1	0	313.400	0.436	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1cccc(C(=O)NC)c1	ZINC000810776385	670497148	/nfs/dbraw/zinc/49/71/48/670497148.db2.gz	RAEBCDNUDSDVDC-UHFFFAOYSA-N	-1	0	322.386	0.448	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnnn1-c1cccc(F)c1	ZINC000810776176	670497246	/nfs/dbraw/zinc/49/72/46/670497246.db2.gz	JJMUADULGOYMEN-UHFFFAOYSA-N	-1	0	322.321	0.489	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1ccccc1C(=O)OC	ZINC000810777386	670497281	/nfs/dbraw/zinc/49/72/81/670497281.db2.gz	BFUQWGRPQDFKBN-UHFFFAOYSA-N	-1	0	323.370	0.875	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1	ZINC000810780751	670497663	/nfs/dbraw/zinc/49/76/63/670497663.db2.gz	PPRUVTVVKXGKNC-UHFFFAOYSA-N	-1	0	323.374	0.061	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COc1ccccc1[N+](=O)[O-]	ZINC000810785977	670498044	/nfs/dbraw/zinc/49/80/44/670498044.db2.gz	VXTLUFAFAAAVHI-UHFFFAOYSA-N	-1	0	312.303	0.443	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ncn(C)n2)cc1	ZINC000810784719	670498098	/nfs/dbraw/zinc/49/80/98/670498098.db2.gz	NBQSDRAWQZQJGP-UHFFFAOYSA-N	-1	0	318.358	0.565	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(C(N)=O)C2)CC1	ZINC000810983533	670501824	/nfs/dbraw/zinc/50/18/24/670501824.db2.gz	DAJKMTRFEVRNSV-JTQLQIEISA-N	-1	0	315.395	0.332	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCN2CCCC2=O)CC1	ZINC000810982664	670501873	/nfs/dbraw/zinc/50/18/73/670501873.db2.gz	WSRABPBPMWPHNP-UHFFFAOYSA-N	-1	0	300.380	0.554	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C(=O)OC)no2)CC1	ZINC000810988954	670502376	/nfs/dbraw/zinc/50/23/76/670502376.db2.gz	UEQKGMWYEBGCNQ-UHFFFAOYSA-N	-1	0	314.319	0.630	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2c(n1)OCCO2	ZINC000847621414	670583255	/nfs/dbraw/zinc/58/32/55/670583255.db2.gz	LYNXXUPPHZXTBH-SNVBAGLBSA-N	-1	0	301.302	0.798	20	30		DCEDRM
COCCS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000847645941	670585038	/nfs/dbraw/zinc/58/50/38/670585038.db2.gz	YVQHYEGFEFHSSF-NSHDSACASA-N	-1	0	310.375	0.829	20	30		DCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@]1(c2ccccc2)CNC(=O)C1	ZINC000847669627	670588212	/nfs/dbraw/zinc/58/82/12/670588212.db2.gz	LUXPPYAWYKKNGL-AWEZNQCLSA-N	-1	0	308.359	0.076	20	30		DCEDRM
C#CCONC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O	ZINC000812785370	670595944	/nfs/dbraw/zinc/59/59/44/670595944.db2.gz	MVEVLRQODLLKPQ-UHFFFAOYSA-N	-1	0	303.343	1.000	20	30		DCEDRM
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[N-]OC1CCC1	ZINC000812792141	670596800	/nfs/dbraw/zinc/59/68/00/670596800.db2.gz	MRIQQLRVTCKZOF-SNVBAGLBSA-N	-1	0	323.374	0.825	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCC(=O)[N-]OC2CCC2)cc1	ZINC000812791222	670596904	/nfs/dbraw/zinc/59/69/04/670596904.db2.gz	KTHRWBCPKGNOLS-UHFFFAOYSA-N	-1	0	309.347	0.437	20	30		DCEDRM
CC(C)(C)OC(=O)C1(C(=O)N[C@H]2CCCN(O)C2=O)CCC1	ZINC000854648481	670604216	/nfs/dbraw/zinc/60/42/16/670604216.db2.gz	FKOOKDUXZSIAGY-JTQLQIEISA-N	-1	0	312.366	0.995	20	30		DCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2ccnc(C#N)c2)cnn1C	ZINC000813953681	670665808	/nfs/dbraw/zinc/66/58/08/670665808.db2.gz	ZOVPIYYALJHZJZ-UHFFFAOYSA-N	-1	0	305.319	0.114	20	30		DCEDRM
Cc1ncsc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980370	670667379	/nfs/dbraw/zinc/66/73/79/670667379.db2.gz	CMIGXNZNMOTWLF-UHFFFAOYSA-N	-1	0	308.344	0.837	20	30		DCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCc2ccco2)c1	ZINC000813981405	670667534	/nfs/dbraw/zinc/66/75/34/670667534.db2.gz	ACQACJGNPQPMRS-UHFFFAOYSA-N	-1	0	305.315	0.984	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1	ZINC000855027269	670671083	/nfs/dbraw/zinc/67/10/83/670671083.db2.gz	DNDSRARMNASRAO-DDTOSNHZSA-N	-1	0	305.334	0.602	20	30		DCEDRM
CC(C)[C@@H](Cc1ccccc1)NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000814226692	670681843	/nfs/dbraw/zinc/68/18/43/670681843.db2.gz	HJSJJNOFJKHMAM-LLVKDONJSA-N	-1	0	302.334	0.565	20	30		DCEDRM
O=C1NC(=O)C(=N[N-]c2nc(C(F)(F)F)cs2)C(=O)N1	ZINC000814223196	670682128	/nfs/dbraw/zinc/68/21/28/670682128.db2.gz	DJZRRJGKMLYZJQ-UHFFFAOYSA-N	-1	0	307.213	0.296	20	30		DCEDRM
NC(=O)CNC(=S)NN=C1CCCc2cc(C(=O)[O-])ccc21	ZINC000814844401	670704574	/nfs/dbraw/zinc/70/45/74/670704574.db2.gz	IFWOBJYUOWTTTJ-UHFFFAOYSA-N	-1	0	320.374	0.375	20	30		DCEDRM
CNC(=O)CNC(=S)NN=C1CC[C@H](C(=O)[O-])C[C@@H]1C	ZINC000814845581	670705969	/nfs/dbraw/zinc/70/59/69/670705969.db2.gz	ZWHCOCLVPKINGZ-YUMQZZPRSA-N	-1	0	300.384	0.073	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cnc2onc(C)c2c1	ZINC000849219087	670765695	/nfs/dbraw/zinc/76/56/95/670765695.db2.gz	GMQIUDUNOLTCCD-UHFFFAOYSA-N	-1	0	309.303	0.240	20	30		DCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC	ZINC000849218983	670765699	/nfs/dbraw/zinc/76/56/99/670765699.db2.gz	DJQJLQSSYKFFKO-MNOVXSKESA-N	-1	0	317.363	0.068	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000815932797	670773253	/nfs/dbraw/zinc/77/32/53/670773253.db2.gz	QYQFGTOSQZZYRO-GFCCVEGCSA-N	-1	0	323.374	0.890	20	30		DCEDRM
C=CCCO[N-]C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1	ZINC000856028674	670777045	/nfs/dbraw/zinc/77/70/45/670777045.db2.gz	ZAJKTIZRQIYZNY-ZDUSSCGKSA-N	-1	0	310.325	0.469	20	30		DCEDRM
C#CC[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C1	ZINC000849331949	670778113	/nfs/dbraw/zinc/77/81/13/670778113.db2.gz	GFWNGMDWJAKSRF-NWDGAFQWSA-N	-1	0	300.380	0.516	20	30		DCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ncc(C#N)cc2C)C1=O	ZINC000816542360	670820916	/nfs/dbraw/zinc/82/09/16/670820916.db2.gz	MABWVIPRSFULQC-CQSZACIVSA-N	-1	0	301.306	0.627	20	30		DCEDRM
CCCCCCCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000817109113	670894274	/nfs/dbraw/zinc/89/42/74/670894274.db2.gz	AQLRFYRIBGBHQO-LBPRGKRZSA-N	-1	0	314.382	0.775	20	30		DCEDRM
C#CCOc1ccccc1CNC(=O)C(=O)NCCCC(=O)[O-]	ZINC000817111345	670895218	/nfs/dbraw/zinc/89/52/18/670895218.db2.gz	ZUPLUWMEIRCIQS-UHFFFAOYSA-N	-1	0	318.329	0.296	20	30		DCEDRM
C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC000817114800	670896288	/nfs/dbraw/zinc/89/62/88/670896288.db2.gz	KWDMHQWSQPMIAI-ZDUSSCGKSA-N	-1	0	300.314	0.217	20	30		DCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCOC1	ZINC000850732546	670936878	/nfs/dbraw/zinc/93/68/78/670936878.db2.gz	ASFMLRWMXMIWSL-DGCLKSJQSA-N	-1	0	324.358	0.415	20	30		DCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)c1	ZINC000850806546	670942193	/nfs/dbraw/zinc/94/21/93/670942193.db2.gz	ZKWGDWSLURBKRS-ITGUQSILSA-N	-1	0	306.343	0.397	20	30		DCEDRM
C#CCOc1cccc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])c1	ZINC000817889061	670950532	/nfs/dbraw/zinc/95/05/32/670950532.db2.gz	RONFVWLTAVIWOX-LLVKDONJSA-N	-1	0	318.329	0.816	20	30		DCEDRM
C#CCOc1ccccc1NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000817890508	670950554	/nfs/dbraw/zinc/95/05/54/670950554.db2.gz	ZAWXNEJKLJKXHM-LLVKDONJSA-N	-1	0	318.329	0.816	20	30		DCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N(C)CCC	ZINC000850888222	670952550	/nfs/dbraw/zinc/95/25/50/670952550.db2.gz	OJQVNKCFSYARCH-NSHDSACASA-N	-1	0	305.400	0.160	20	30		DCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CCCC1	ZINC000850941053	670956149	/nfs/dbraw/zinc/95/61/49/670956149.db2.gz	YFONCUSQBSDSRX-NSHDSACASA-N	-1	0	300.380	0.941	20	30		DCEDRM
CO[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)C1	ZINC000850960310	670957949	/nfs/dbraw/zinc/95/79/49/670957949.db2.gz	DGJDMZBKDASOOB-WDEREUQCSA-N	-1	0	300.380	0.941	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000850968385	670958745	/nfs/dbraw/zinc/95/87/45/670958745.db2.gz	BYSGIYLGQJPGLT-ZETCQYMHSA-N	-1	0	306.294	0.503	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](CCC(C)C)NC(C)=O	ZINC000850999354	670960255	/nfs/dbraw/zinc/96/02/55/670960255.db2.gz	DBQOTZUILRAXCG-LBPRGKRZSA-N	-1	0	302.396	0.397	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N	ZINC000851044551	670964422	/nfs/dbraw/zinc/96/44/22/670964422.db2.gz	BVDQNZUBFHHQQP-QMMMGPOBSA-N	-1	0	322.302	0.821	20	30		DCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)c(C)o1	ZINC000851098054	670968093	/nfs/dbraw/zinc/96/80/93/670968093.db2.gz	APDICJDPGYAYJD-ZETCQYMHSA-N	-1	0	314.319	0.729	20	30		DCEDRM
COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)Cc1n[n-]c(=O)o1	ZINC000852189130	671103167	/nfs/dbraw/zinc/10/31/67/671103167.db2.gz	XBEXAYIPMRVQCW-GFCCVEGCSA-N	-1	0	302.290	0.993	20	30		DCEDRM
CCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@H](C)C(=O)[O-]	ZINC000852954666	671199718	/nfs/dbraw/zinc/19/97/18/671199718.db2.gz	OLFIRRCLMPGEMO-MMZVIXLHSA-N	-1	0	309.322	0.225	20	30		DCEDRM
CCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@@H](C)C(=O)[O-]	ZINC000852954665	671199760	/nfs/dbraw/zinc/19/97/60/671199760.db2.gz	OLFIRRCLMPGEMO-LZTQFINJSA-N	-1	0	309.322	0.225	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC000853068790	671205893	/nfs/dbraw/zinc/20/58/93/671205893.db2.gz	DXKXLRIWITZLHU-MWLCHTKSSA-N	-1	0	301.368	0.476	20	30		DCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cn(C2CC2)nn1	ZINC000860463140	671211055	/nfs/dbraw/zinc/21/10/55/671211055.db2.gz	OELQIZQZJKZWCM-GFCCVEGCSA-N	-1	0	319.365	0.867	20	30		DCEDRM
COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc(C#N)cs1)OC	ZINC000853202327	671217917	/nfs/dbraw/zinc/21/79/17/671217917.db2.gz	DHKHTFLDHZVSEF-VIFPVBQESA-N	-1	0	318.376	0.341	20	30		DCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000853205136	671218373	/nfs/dbraw/zinc/21/83/73/671218373.db2.gz	ZOPZZDISUPSAEY-GHMZBOCLSA-N	-1	0	309.384	0.075	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@]1(C)COc2ccccc2O1	ZINC000860721116	671232932	/nfs/dbraw/zinc/23/29/32/671232932.db2.gz	ZCYVUDOUBCUCHS-AWEZNQCLSA-N	-1	0	309.343	0.686	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)oc1C	ZINC000860721732	671233391	/nfs/dbraw/zinc/23/33/91/671233391.db2.gz	KXZFRBISJAOEIR-UHFFFAOYSA-N	-1	0	319.360	0.074	20	30		DCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@]1(C2CCCC2)CCNC1=O	ZINC000860721304	671233623	/nfs/dbraw/zinc/23/36/23/671233623.db2.gz	CKNGDWWZEFLNAR-CQSZACIVSA-N	-1	0	312.391	0.152	20	30		DCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1COc2cc(F)ccc2C1	ZINC000860751345	671235399	/nfs/dbraw/zinc/23/53/99/671235399.db2.gz	CAPVRKXUELNIGE-SNVBAGLBSA-N	-1	0	312.322	0.736	20	30		DCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccnc3ccnn32)CC1	ZINC000860771857	671237351	/nfs/dbraw/zinc/23/73/51/671237351.db2.gz	GPXLZOHCYVBUOL-UHFFFAOYSA-N	-1	0	306.347	0.898	20	30		DCEDRM
Cc1ccc(C#N)cc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC000822224834	671310449	/nfs/dbraw/zinc/31/04/49/671310449.db2.gz	CDBYRIZICCUTNZ-UHFFFAOYSA-N	-1	0	309.293	0.277	20	30		DCEDRM
C#CCN(C(=O)NCCN1CCN(C(=O)[O-])CC1)C1CCCC1	ZINC000823451056	671394800	/nfs/dbraw/zinc/39/48/00/671394800.db2.gz	MLARKAIWZHGLLR-UHFFFAOYSA-N	-1	0	322.409	0.869	20	30		DCEDRM
Cc1cc(C)n(N=CC2CCOCC2)c(=O)c1-c1nnn[n-]1	ZINC000826264800	671482364	/nfs/dbraw/zinc/48/23/64/671482364.db2.gz	APEHKODCROEQDF-UHFFFAOYSA-N	-1	0	302.338	0.906	20	30		DCEDRM
Cc1csc(=O)n1CCn1cnc(-c2nnn[n-]2)c1C#N	ZINC000826320268	671483750	/nfs/dbraw/zinc/48/37/50/671483750.db2.gz	LBAYXFJIFWZGOL-UHFFFAOYSA-N	-1	0	302.323	0.167	20	30		DCEDRM
N#Cc1c(F)cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1F	ZINC000826834568	671502659	/nfs/dbraw/zinc/50/26/59/671502659.db2.gz	UHOUONLUVLITKT-NSHDSACASA-N	-1	0	320.259	0.563	20	30		DCEDRM
C=C(C)C[C@@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C(=O)OC	ZINC000828104296	671544484	/nfs/dbraw/zinc/54/44/84/671544484.db2.gz	DAECDUUCEXUECI-CYBMUJFWSA-N	-1	0	323.393	0.999	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1c(C)nn(C)c1Cl	ZINC000828390044	671551709	/nfs/dbraw/zinc/55/17/09/671551709.db2.gz	SESIFAVAMXSVLP-VIFPVBQESA-N	-1	0	305.787	0.435	20	30		DCEDRM
C#C[C@@H](NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)[C@H]1CCCO1	ZINC000832411270	671718394	/nfs/dbraw/zinc/71/83/94/671718394.db2.gz	CLYRIDIPSXTNEM-CHWSQXEVSA-N	-1	0	313.313	0.941	20	30		DCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(C)c(C#N)cn2)C1=O	ZINC000834789770	671780673	/nfs/dbraw/zinc/78/06/73/671780673.db2.gz	KVMBTKQNHUFTAV-CQSZACIVSA-N	-1	0	301.306	0.627	20	30		DCEDRM
C#CCCOc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc1	ZINC000835162735	671789953	/nfs/dbraw/zinc/78/99/53/671789953.db2.gz	WPTDLHQNBZBBLK-AWEZNQCLSA-N	-1	0	323.370	0.937	20	30		DCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnn1CC(F)(F)F	ZINC000835372700	671794808	/nfs/dbraw/zinc/79/48/08/671794808.db2.gz	XRPDFUMNSYSUOR-UHFFFAOYSA-N	-1	0	309.269	0.528	20	30		DCEDRM
C#C[C@H]([N-]S(=O)(=O)c1occc1C(=O)OC)[C@@H]1CCCO1	ZINC000867123834	671798353	/nfs/dbraw/zinc/79/83/53/671798353.db2.gz	FMKOBIHNRKRDPV-QWRGUYRKSA-N	-1	0	313.331	0.525	20	30		DCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1nc(C)c(C)s1	ZINC000835582819	671800080	/nfs/dbraw/zinc/80/00/80/671800080.db2.gz	VPKLQDHDZGATDI-MRVPVSSYSA-N	-1	0	302.377	0.603	20	30		DCEDRM
CC(C)(C)OC(=O)Cn1cccc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000841639598	671945992	/nfs/dbraw/zinc/94/59/92/671945992.db2.gz	BEWNYFBQDYSJJS-UHFFFAOYSA-N	-1	0	307.310	0.715	20	30		DCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2SCCCS2)CC1	ZINC000842333029	672006324	/nfs/dbraw/zinc/00/63/24/672006324.db2.gz	FCAUDKDGNFYVIJ-UHFFFAOYSA-N	-1	0	306.434	0.932	20	30		DCEDRM
COC(=O)CCS(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000842358559	672008504	/nfs/dbraw/zinc/00/85/04/672008504.db2.gz	GCFCVJQBIKJNPU-UHFFFAOYSA-N	-1	0	324.358	0.500	20	30		DCEDRM
CN(CCC#N)S(=O)(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1	ZINC000844205560	672163412	/nfs/dbraw/zinc/16/34/12/672163412.db2.gz	OPKFPAFULFYTAG-NSHDSACASA-N	-1	0	313.335	0.198	20	30		DCEDRM
CC[C@H](C)C[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000844790184	672202755	/nfs/dbraw/zinc/20/27/55/672202755.db2.gz	WTKIBKVTEVBJBG-GARJFASQSA-N	-1	0	305.400	0.944	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C	ZINC000846147148	672297551	/nfs/dbraw/zinc/29/75/51/672297551.db2.gz	MYGXTXNFUZPFAJ-UHFFFAOYSA-N	-1	0	319.317	0.604	20	30		DCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2	ZINC000846147343	672297581	/nfs/dbraw/zinc/29/75/81/672297581.db2.gz	VYJGYYWKYAHRCR-UHFFFAOYSA-N	-1	0	317.345	0.877	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(N2CCNC2=O)c1	ZINC000846152196	672297772	/nfs/dbraw/zinc/29/77/72/672297772.db2.gz	QCPRNYCQOVJKNW-SNVBAGLBSA-N	-1	0	318.333	0.777	20	30		DCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1nn(CCCOC)cc1C	ZINC000846157536	672298095	/nfs/dbraw/zinc/29/80/95/672298095.db2.gz	VJRLOPVKTUTIMA-NSHDSACASA-N	-1	0	310.354	0.789	20	30		DCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F	ZINC000846156332	672298355	/nfs/dbraw/zinc/29/83/55/672298355.db2.gz	LBWKMYHVQSBFRJ-APPZFPTMSA-N	-1	0	320.271	0.762	20	30		DCEDRM
O=C([O-])CN(CC1CC1)C(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000846711879	672340127	/nfs/dbraw/zinc/34/01/27/672340127.db2.gz	QYXLNRNCNQQVBS-CCEZHUSRSA-N	-1	0	321.333	0.226	20	30		DCEDRM
CCOCC1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000813985694	685351722	/nfs/dbraw/zinc/35/17/22/685351722.db2.gz	LJQQQADIXFSTCF-UHFFFAOYSA-N	-1	0	309.347	0.575	20	30		DCEDRM
C#Cc1ccc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cc1	ZINC001038588840	694124336	/nfs/dbraw/zinc/12/43/36/694124336.db2.gz	KRPAPUDSLGXYBR-CYBMUJFWSA-N	-1	0	311.345	0.496	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC000964842294	689313099	/nfs/dbraw/zinc/31/30/99/689313099.db2.gz	FUISWURVSROZFQ-KOLCDFICSA-N	-1	0	319.365	0.694	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC000964842299	689313465	/nfs/dbraw/zinc/31/34/65/689313465.db2.gz	FUISWURVSROZFQ-MWLCHTKSSA-N	-1	0	319.365	0.694	20	30		DCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001014467440	692025787	/nfs/dbraw/zinc/02/57/87/692025787.db2.gz	GMXYRLXBPUSBIO-UTUOFQBUSA-N	-1	0	321.381	0.182	20	30		DCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001076168019	695003056	/nfs/dbraw/zinc/00/30/56/695003056.db2.gz	XBVYYYAXXCINNX-ONGXEEELSA-N	-1	0	322.365	0.087	20	30		DCEDRM
C=CCCC(=O)N(CCC)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001745466454	1158019400	/nfs/dbraw/zinc/01/94/00/1158019400.db2.gz	NTDWLMIPLPECFS-UHFFFAOYSA-N	-1	0	323.353	0.217	20	30		DCEDRM
C#CCN1CC2(CN(Cc3sccc3C(=O)[O-])C2)OCC1=O	ZINC001273678960	1158897388	/nfs/dbraw/zinc/89/73/88/1158897388.db2.gz	DVYMQGNGJAZJDQ-UHFFFAOYSA-N	-1	0	320.370	0.493	20	30		DCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNC(=O)C#CC(C)C)C2)c1[O-]	ZINC001572050134	1163006929	/nfs/dbraw/zinc/00/69/29/1163006929.db2.gz	SMZNSURVKOGOKA-HAQNSBGRSA-N	-1	0	318.377	0.708	20	30		DCEDRM
C[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C1(C(=O)[O-])CCOCC1	ZINC001573397716	1163424579	/nfs/dbraw/zinc/42/45/79/1163424579.db2.gz	AIADBTZBACRTLZ-NXEZZACHSA-N	-1	0	321.337	0.097	20	30		DCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	ZINC001573769079	1163548910	/nfs/dbraw/zinc/54/89/10/1163548910.db2.gz	BKTYRWWDOCEJII-YFKTTZPYSA-N	-1	0	315.395	0.650	20	30		DCEDRM
Cc1c(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])cnn1CCC#N	ZINC001574114638	1163639493	/nfs/dbraw/zinc/63/94/93/1163639493.db2.gz	XASKBWQARYDFMD-YPMHNXCESA-N	-1	0	320.349	0.857	20	30		DCEDRM
Cc1c(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)cnn1CCC#N	ZINC001574113856	1163639736	/nfs/dbraw/zinc/63/97/36/1163639736.db2.gz	PKNXKWWNSZKZDC-OAHLLOKOSA-N	-1	0	320.349	0.716	20	30		DCEDRM
Cc1cc(C#N)cc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)c1	ZINC001574127540	1163643837	/nfs/dbraw/zinc/64/38/37/1163643837.db2.gz	MUHRZUCREPGUDI-WCQYABFASA-N	-1	0	318.333	0.959	20	30		DCEDRM
Cc1ccc(C#N)cc1C(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO	ZINC001574149012	1163648567	/nfs/dbraw/zinc/64/85/67/1163648567.db2.gz	GZZRKOIKQJROPO-AAEUAGOBSA-N	-1	0	303.318	0.567	20	30		DCEDRM
N#CC1(CNCc2cnc3c(C(=O)[O-])cnn3c2)CCOCC1	ZINC001574240931	1163671778	/nfs/dbraw/zinc/67/17/78/1163671778.db2.gz	BTCCEIXFLZBYLN-UHFFFAOYSA-N	-1	0	315.333	0.837	20	30		DCEDRM
N#CC1(CS(=O)(=O)NCc2[nH]cnc2C(=O)[O-])CCCC1	ZINC001574242309	1163672046	/nfs/dbraw/zinc/67/20/46/1163672046.db2.gz	UELCNTHBORRSMW-UHFFFAOYSA-N	-1	0	312.351	0.611	20	30		DCEDRM
N#Cc1cccc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)n1	ZINC001574249826	1163674383	/nfs/dbraw/zinc/67/43/83/1163674383.db2.gz	MXDSJHNLZSTKIF-CHWSQXEVSA-N	-1	0	312.285	0.265	20	30		DCEDRM
N#C[C@]12CN(Cc3ccc(C(=O)[O-])[nH]3)C[C@H]1CS(=O)(=O)C2	ZINC001574790746	1163753409	/nfs/dbraw/zinc/75/34/09/1163753409.db2.gz	VWABDEUJHUILCB-TVQRCGJNSA-N	-1	0	309.347	0.083	20	30		DCEDRM
CCC[C@]1(CO)CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1	ZINC001577387411	1164682523	/nfs/dbraw/zinc/68/25/23/1164682523.db2.gz	GMLAFSCPYOSDCA-AWEZNQCLSA-N	-1	0	314.353	0.517	20	30		DCEDRM
CN(c1cnc(C#N)c(-c2nnn[n-]2)n1)C1CCC(CO)CC1	ZINC001579286220	1165259402	/nfs/dbraw/zinc/25/94/02/1165259402.db2.gz	FBJWEPCJPAJMKR-UHFFFAOYSA-N	-1	0	314.353	0.516	20	30		DCEDRM
Cc1ccccc1[C@H](CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001581253262	1165807002	/nfs/dbraw/zinc/80/70/02/1165807002.db2.gz	PIERWPHVTQSNJF-LBPRGKRZSA-N	-1	0	322.332	0.982	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCC[C@@H]2CCO)nc1-c1nnn[n-]1	ZINC001581882518	1165901311	/nfs/dbraw/zinc/90/13/11/1165901311.db2.gz	BTBSKEQFVYQAAF-RKDXNWHRSA-N	-1	0	300.326	0.491	20	30		DCEDRM
N#Cc1ncc(N[C@@H](CO)CC2CCCC2)nc1-c1nnn[n-]1	ZINC001581882895	1165902511	/nfs/dbraw/zinc/90/25/11/1165902511.db2.gz	KVVQEYGJPKWJHY-SNVBAGLBSA-N	-1	0	314.353	0.881	20	30		DCEDRM
CCC[C@H](C#N)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001583889210	1166292339	/nfs/dbraw/zinc/29/23/39/1166292339.db2.gz	WJLJJYKLTIOSGQ-LLVKDONJSA-N	-1	0	314.349	0.995	20	30		DCEDRM
CCCCS[C@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001585292305	1166415261	/nfs/dbraw/zinc/41/52/61/1166415261.db2.gz	ICEIAZCYEARFEJ-SNVBAGLBSA-N	-1	0	324.406	0.859	20	30		DCEDRM
C=CCCO[N-]C(=O)CNS(=O)(=O)c1ccc(F)cc1	ZINC001586065480	1166478581	/nfs/dbraw/zinc/47/85/81/1166478581.db2.gz	AEOOSBIJPCSVLY-UHFFFAOYSA-N	-1	0	302.327	0.728	20	30		DCEDRM
C#C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)(C)C	ZINC001588327233	1166523306	/nfs/dbraw/zinc/52/33/06/1166523306.db2.gz	FFYKHKXGIKFWIT-RKDXNWHRSA-N	-1	0	302.342	0.183	20	30		DCEDRM
C=CCC(CC=C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1	ZINC001588544375	1166560170	/nfs/dbraw/zinc/56/01/70/1166560170.db2.gz	DBKHPSAEVHMGPZ-UHFFFAOYSA-N	-1	0	302.342	0.343	20	30		DCEDRM
C=CCCC(C)(C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1	ZINC001588578197	1166564678	/nfs/dbraw/zinc/56/46/78/1166564678.db2.gz	YNNZMDPFDFZZKW-VIFPVBQESA-N	-1	0	304.358	0.880	20	30		DCEDRM
C=CCCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1	ZINC001588575887	1166565710	/nfs/dbraw/zinc/56/57/10/1166565710.db2.gz	BNNNNDLBAOMIKL-AOOOYVTPSA-N	-1	0	314.353	0.104	20	30		DCEDRM
C=CCn1c(N2C[C@@H](C)[C@H](C(=O)[O-])C2)nnc1[C@](C)(O)COC	ZINC001588905256	1166616385	/nfs/dbraw/zinc/61/63/85/1166616385.db2.gz	UXFNAXFGVPVCKE-UEKVPHQBSA-N	-1	0	324.381	0.475	20	30		DCEDRM
C[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)[C@H]1CCCO1	ZINC001589024951	1166628841	/nfs/dbraw/zinc/62/88/41/1166628841.db2.gz	GCIKFPNJIVEPBY-POYBYMJQSA-N	-1	0	302.298	0.215	20	30		DCEDRM
C[C@H](C(=O)OCC(C)(C)CCC#N)n1cnc(-c2nnn[n-]2)n1	ZINC001589027671	1166630287	/nfs/dbraw/zinc/63/02/87/1166630287.db2.gz	PYTRCAZCYUCWAR-SECBINFHSA-N	-1	0	318.341	0.892	20	30		DCEDRM
CC(C)O[C@]1(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)CCOC1	ZINC001589738534	1166680963	/nfs/dbraw/zinc/68/09/63/1166680963.db2.gz	XLJFCZYYUWQCTI-ZDUSSCGKSA-N	-1	0	318.341	0.101	20	30		DCEDRM
CC(C)[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)C(C)(C)O	ZINC001589765991	1166685589	/nfs/dbraw/zinc/68/55/89/1166685589.db2.gz	TVXOZTCFGDUBJL-NSHDSACASA-N	-1	0	302.342	0.736	20	30		DCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001589788477	1166688700	/nfs/dbraw/zinc/68/87/00/1166688700.db2.gz	WZPHLQNOTLSBQH-QMMMGPOBSA-N	-1	0	320.334	0.221	20	30		DCEDRM
C[C@@H]1CNc2c(Nc3cnc(C#N)c(-c4nnn[n-]4)n3)cnn2C1	ZINC001590322144	1166861709	/nfs/dbraw/zinc/86/17/09/1166861709.db2.gz	OZGAZOCHBRXINX-SSDOTTSWSA-N	-1	0	323.324	0.530	20	30		DCEDRM
COC[C@H](C)NN=C1CCCc2c1c[nH]c(=O)c2-c1nnn[n-]1	ZINC001591375235	1167246299	/nfs/dbraw/zinc/24/62/99/1167246299.db2.gz	NFKLQXGHGYCEGI-QMMMGPOBSA-N	-1	0	317.353	0.632	20	30		DCEDRM
COc1cccc(C(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)n1	ZINC001591631964	1167340486	/nfs/dbraw/zinc/34/04/86/1167340486.db2.gz	NAOTUPHSJKGBPZ-UHFFFAOYSA-N	-1	0	310.277	0.221	20	30		DCEDRM
Cc1c(-c2nnn[n-]2)c(=O)n(CC2(C#N)CC2)c(=O)n1C1CC1	ZINC001591793867	1167382220	/nfs/dbraw/zinc/38/22/20/1167382220.db2.gz	MIIBNUJIWKDDNZ-UHFFFAOYSA-N	-1	0	313.321	0.137	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1C[C@@H]1C[C@H]2COC[C@H]2O1	ZINC001592335519	1167490610	/nfs/dbraw/zinc/49/06/10/1167490610.db2.gz	RWOQVSKIFOCEDK-ATZCPNFKSA-N	-1	0	301.310	0.047	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(C#N)n1C[C@@H]1C[C@H]2COC[C@@H]2O1	ZINC001592335520	1167491419	/nfs/dbraw/zinc/49/14/19/1167491419.db2.gz	RWOQVSKIFOCEDK-QXEWZRGKSA-N	-1	0	301.310	0.047	20	30		DCEDRM
Cc1csc(=O)n1CCn1c(C)nc(-c2nnn[n-]2)c1C#N	ZINC001592335717	1167493014	/nfs/dbraw/zinc/49/30/14/1167493014.db2.gz	XNXRUKSCWTVMFP-UHFFFAOYSA-N	-1	0	316.350	0.475	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cn(C(C)(C)C)nn2)o1	ZINC001592338536	1167494208	/nfs/dbraw/zinc/49/42/08/1167494208.db2.gz	FTZDITOPLSHERR-UHFFFAOYSA-N	-1	0	316.329	0.956	20	30		DCEDRM
Cc1ncc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c(C)n1	ZINC001592409205	1167516172	/nfs/dbraw/zinc/51/61/72/1167516172.db2.gz	XWIIDMOQYPFZCE-UHFFFAOYSA-N	-1	0	310.281	0.121	20	30		DCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(-c2nn[nH]n2)c1	ZINC001592666334	1167591413	/nfs/dbraw/zinc/59/14/13/1167591413.db2.gz	YKCIKCDJTCZIRY-LBPRGKRZSA-N	-1	0	310.317	0.812	20	30		DCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CC1(Br)CC1	ZINC001592681439	1167599805	/nfs/dbraw/zinc/59/98/05/1167599805.db2.gz	DBLGUWAQOLALLS-UHFFFAOYSA-N	-1	0	309.131	0.445	20	30		DCEDRM
N#C[C@H]1C[C@H]1C(=O)Nc1ccccc1-n1cnc(-c2nnn[n-]2)n1	ZINC001592681734	1167600577	/nfs/dbraw/zinc/60/05/77/1167600577.db2.gz	ZNEVEFAOAKHSGE-RKDXNWHRSA-N	-1	0	321.304	0.546	20	30		DCEDRM
N#Cc1nc(NC(=O)c2onc3ccccc32)[n-]c1-c1nn[nH]n1	ZINC001592681793	1167600784	/nfs/dbraw/zinc/60/07/84/1167600784.db2.gz	JWPMIKZKFZLCAB-UHFFFAOYSA-N	-1	0	321.260	0.855	20	30		DCEDRM
N#Cc1cccc(C(=O)Cn2cc([N+](=O)[O-])c(-c3nnn[n-]3)n2)c1	ZINC001592700816	1167604784	/nfs/dbraw/zinc/60/47/84/1167604784.db2.gz	XKFOZBUTCBBHQL-UHFFFAOYSA-N	-1	0	324.260	0.726	20	30		DCEDRM
N#Cc1ncc(N[C@@H]2CCn3ccnc3C2)nc1-c1nnn[n-]1	ZINC001592709723	1167609306	/nfs/dbraw/zinc/60/93/06/1167609306.db2.gz	AZVPEAPUVGBWSN-MRVPVSSYSA-N	-1	0	308.309	0.152	20	30		DCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(F)c(-c2nn[nH]n2)c1Cl	ZINC001593488272	1167872164	/nfs/dbraw/zinc/87/21/64/1167872164.db2.gz	HYHSOGOMGZZRGG-UHFFFAOYSA-N	-1	0	324.663	0.544	20	30		DCEDRM
Cc1c(CCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cnn1C	ZINC001600011786	1168093976	/nfs/dbraw/zinc/09/39/76/1168093976.db2.gz	UXOCUORZADZVTJ-UHFFFAOYSA-N	-1	0	304.350	0.878	20	30		DCEDRM
Cc1cc(C)n2nc(C(=O)N(CC#N)CCC(=O)[O-])nc2n1	ZINC001600179912	1168130846	/nfs/dbraw/zinc/13/08/46/1168130846.db2.gz	QWNIRGQSMIGLMS-UHFFFAOYSA-N	-1	0	302.294	0.182	20	30		DCEDRM
Cc1nc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)ccc1C#N	ZINC001600710922	1168260491	/nfs/dbraw/zinc/26/04/91/1168260491.db2.gz	WBFOPFASMASLTH-ONGXEEELSA-N	-1	0	316.317	0.522	20	30		DCEDRM
Cc1nn(CCC(=O)[O-])c(C)c1C=NN1C(=O)[C@H](C)N(C)C1=O	ZINC001600784576	1168295914	/nfs/dbraw/zinc/29/59/14/1168295914.db2.gz	RTOHEZQGPRKDAR-JTQLQIEISA-N	-1	0	321.337	0.591	20	30		DCEDRM
Cc1nsc(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1C#N	ZINC001600819615	1168474861	/nfs/dbraw/zinc/47/48/61/1168474861.db2.gz	GAAUTAIOWOADKI-JGVFFNPUSA-N	-1	0	310.335	0.623	20	30		DCEDRM
Cn1c(-c2coc(C#N)c2)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001600893460	1168496473	/nfs/dbraw/zinc/49/64/73/1168496473.db2.gz	MIMWLWALKUPLTN-CYBMUJFWSA-N	-1	0	305.269	0.950	20	30		DCEDRM
N#CC1(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)CCOCC1	ZINC001601050425	1168577715	/nfs/dbraw/zinc/57/77/15/1168577715.db2.gz	OEBAGILFQLTRID-UHFFFAOYSA-N	-1	0	321.333	0.529	20	30		DCEDRM
N#CC1(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CC2(CC2)C1	ZINC001601050622	1168577868	/nfs/dbraw/zinc/57/78/68/1168577868.db2.gz	WWOXWDQYEWWMFH-SNVBAGLBSA-N	-1	0	308.334	0.793	20	30		DCEDRM
N#CC1(CNC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CCC1	ZINC001601056462	1168578232	/nfs/dbraw/zinc/57/82/32/1168578232.db2.gz	JXQUILLRXBPVST-JTQLQIEISA-N	-1	0	318.337	0.627	20	30		DCEDRM
N#CC[C@@]1(O)CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)C1	ZINC001601063415	1168579997	/nfs/dbraw/zinc/57/99/97/1168579997.db2.gz	VCPYMKQIVPSAOU-LLVKDONJSA-N	-1	0	316.360	0.485	20	30		DCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(CC(F)(F)F)C1=O	ZINC001601069531	1168580551	/nfs/dbraw/zinc/58/05/51/1168580551.db2.gz	MUBSPKPNTUPPJR-MRVPVSSYSA-N	-1	0	321.255	0.224	20	30		DCEDRM
N#CCCN(CCC#N)C(=O)COCc1ocnc1C(=O)[O-]	ZINC001601067356	1168580698	/nfs/dbraw/zinc/58/06/98/1168580698.db2.gz	WKEGFEPCDJHAMS-UHFFFAOYSA-N	-1	0	306.278	0.545	20	30		DCEDRM
N#CCOc1ccc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1	ZINC001601074217	1168581591	/nfs/dbraw/zinc/58/15/91/1168581591.db2.gz	NKEKUBQOKUGIDZ-AWEZNQCLSA-N	-1	0	305.290	0.642	20	30		DCEDRM
N#CCN1CCC(NS(=O)(=O)c2cncc(C(=O)[O-])c2)CC1	ZINC001601074650	1168582446	/nfs/dbraw/zinc/58/24/46/1168582446.db2.gz	KRWYKSQSVZHEPE-UHFFFAOYSA-N	-1	0	324.362	0.046	20	30		DCEDRM
N#CCSCC(=O)NCCCNc1ncc(C(=O)[O-])cn1	ZINC001601075595	1168582595	/nfs/dbraw/zinc/58/25/95/1168582595.db2.gz	GMYKTKVFBCTLGV-UHFFFAOYSA-N	-1	0	309.351	0.350	20	30		DCEDRM
N#Cc1c(CN2CCC[C@@H](CO)[C@H]2CO)cccc1C(=O)[O-]	ZINC001601081205	1168582821	/nfs/dbraw/zinc/58/28/21/1168582821.db2.gz	DLEWLWWTHQXBAI-SWLSCSKDSA-N	-1	0	304.346	0.822	20	30		DCEDRM
N#Cc1cc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])ccc1F	ZINC001601085548	1168583365	/nfs/dbraw/zinc/58/33/65/1168583365.db2.gz	BSXQXUSXVMFGNZ-LLVKDONJSA-N	-1	0	303.253	0.172	20	30		DCEDRM
N#Cc1c(N)c([N+](=O)[O-])ccc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001601083239	1168583448	/nfs/dbraw/zinc/58/34/48/1168583448.db2.gz	SVXVSCQPGRRQOM-MRVPVSSYSA-N	-1	0	306.278	0.729	20	30		DCEDRM
N#Cc1cc(F)c(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(F)c1	ZINC001601087060	1168583534	/nfs/dbraw/zinc/58/35/34/1168583534.db2.gz	AVSRAFYRQNZSOS-RKDXNWHRSA-N	-1	0	310.256	0.744	20	30		DCEDRM
N#Cc1cc(CN2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)ccc1F	ZINC001601087706	1168583693	/nfs/dbraw/zinc/58/36/93/1168583693.db2.gz	HXUNJYMLIVOTBH-QWHCGFSZSA-N	-1	0	317.320	0.718	20	30		DCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)o1	ZINC001601092006	1168584264	/nfs/dbraw/zinc/58/42/64/1168584264.db2.gz	FWYACEVTBGKGCE-VIFPVBQESA-N	-1	0	315.289	0.918	20	30		DCEDRM
N#Cc1ccc([C@@H](OC(=O)c2c[nH]c(C(=O)[O-])c2)C(N)=O)cc1	ZINC001601099044	1168584485	/nfs/dbraw/zinc/58/44/85/1168584485.db2.gz	HWJZWDLCCFUQOL-GFCCVEGCSA-N	-1	0	313.269	0.968	20	30		DCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@]2(CC(=O)[O-])CCCOC2)cc1	ZINC001601097153	1168584885	/nfs/dbraw/zinc/58/48/85/1168584885.db2.gz	YSYMBPXTXFRWQC-ZBFHGGJFSA-N	-1	0	318.329	0.732	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cc1F	ZINC001601106829	1168586206	/nfs/dbraw/zinc/58/62/06/1168586206.db2.gz	FYUCYKDQJPQOBX-UHFFFAOYSA-N	-1	0	319.292	0.959	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])cc1	ZINC001601106772	1168586335	/nfs/dbraw/zinc/58/63/35/1168586335.db2.gz	BXJVESXNDAGQRD-VXGBXAGGSA-N	-1	0	301.302	0.866	20	30		DCEDRM
N#Cc1cccc(NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1	ZINC001601120791	1168587324	/nfs/dbraw/zinc/58/73/24/1168587324.db2.gz	MDTXPDVLWOYELV-ZUZCIYMTSA-N	-1	0	316.317	0.908	20	30		DCEDRM
N#Cc1cccc([C@@H](OC(=O)CCc2nnc[nH]2)C(=O)[O-])c1	ZINC001601118182	1168587663	/nfs/dbraw/zinc/58/76/63/1168587663.db2.gz	UIJLKUPQTZGXSK-CYBMUJFWSA-N	-1	0	300.274	0.978	20	30		DCEDRM
N#Cc1cccc(OCC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1	ZINC001601121817	1168588064	/nfs/dbraw/zinc/58/80/64/1168588064.db2.gz	VUEVETDTGNGOTF-TZMCWYRMSA-N	-1	0	304.302	0.374	20	30		DCEDRM
N#Cc1ccncc1N1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC001601128943	1168589998	/nfs/dbraw/zinc/58/99/98/1168589998.db2.gz	ZJTJSWTZCYTSBT-UHFFFAOYSA-N	-1	0	310.317	0.768	20	30		DCEDRM
N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1	ZINC001601130310	1168591208	/nfs/dbraw/zinc/59/12/08/1168591208.db2.gz	CROCZCVDOQYZBD-YJFSRANCSA-N	-1	0	301.306	0.128	20	30		DCEDRM
N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1	ZINC001601130098	1168591765	/nfs/dbraw/zinc/59/17/65/1168591765.db2.gz	JWFYXFRYUKXPFK-MPKXCIJOSA-N	-1	0	301.306	0.128	20	30		DCEDRM
O=C([O-])c1nccc(NC2(CNC(=O)C#CC3CC3)CCC2)n1	ZINC001601223120	1168666393	/nfs/dbraw/zinc/66/63/93/1168666393.db2.gz	BUEBMZDLLSTWIW-UHFFFAOYSA-N	-1	0	314.345	0.461	20	30		DCEDRM
O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)C#CC2CC2)CC1	ZINC001601779152	1168884072	/nfs/dbraw/zinc/88/40/72/1168884072.db2.gz	OMVHTZIFSURKIF-OLZOCXBDSA-N	-1	0	304.346	0.181	20	30		DCEDRM
C#C[C@H](NC(=O)NCc1ncc(C(=O)[O-])s1)[C@H]1CCCO1	ZINC001602674029	1169155687	/nfs/dbraw/zinc/15/56/87/1169155687.db2.gz	LEPNPWKLPOEUNG-DTWKUNHWSA-N	-1	0	309.347	0.821	20	30		DCEDRM
C#C[C@H](NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)[C@H]1CCCO1	ZINC001602673757	1169156004	/nfs/dbraw/zinc/15/60/04/1169156004.db2.gz	JORZVWCPVXHIJO-BCUIYNNISA-N	-1	0	322.361	0.300	20	30		DCEDRM
C#C[C@@H](NC(=O)NCc1ncc(C(=O)[O-])s1)[C@@H]1CCCO1	ZINC001602674025	1169156120	/nfs/dbraw/zinc/15/61/20/1169156120.db2.gz	LEPNPWKLPOEUNG-BDAKNGLRSA-N	-1	0	309.347	0.821	20	30		DCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001602699340	1169164762	/nfs/dbraw/zinc/16/47/62/1169164762.db2.gz	BOHACDJMTIKTCT-LLVKDONJSA-N	-1	0	315.329	0.980	20	30		DCEDRM
C#CCCCC(=O)N[C@H]1C[C@H](CNc2ccnc(C(=O)[O-])n2)C1	ZINC001602703112	1169166084	/nfs/dbraw/zinc/16/60/84/1169166084.db2.gz	RALDJSMROIOYDU-HAQNSBGRSA-N	-1	0	316.361	0.707	20	30		DCEDRM
C#CCNC(=O)C1CCN(Cc2ncc(C(=O)[O-])s2)CC1	ZINC001602720402	1169169835	/nfs/dbraw/zinc/16/98/35/1169169835.db2.gz	QHIJZCVBFFHMBZ-UHFFFAOYSA-N	-1	0	307.375	0.803	20	30		DCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001602755607	1169178803	/nfs/dbraw/zinc/17/88/03/1169178803.db2.gz	YTMUDAAGPZQOQG-SNVBAGLBSA-N	-1	0	320.349	0.937	20	30		DCEDRM
C=C(C)C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)C(=O)OCC	ZINC001602755596	1169179786	/nfs/dbraw/zinc/17/97/86/1169179786.db2.gz	YOIRNZSXTAIOQD-JTQLQIEISA-N	-1	0	319.379	0.669	20	30		DCEDRM
C=C(C)CN(CC)C(=O)COC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001602761836	1169181933	/nfs/dbraw/zinc/18/19/33/1169181933.db2.gz	GEVBUMMZYSEKPP-UHFFFAOYSA-N	-1	0	309.322	0.549	20	30		DCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](n2cc(CO)nn2)C1	ZINC001602776688	1169182982	/nfs/dbraw/zinc/18/29/82/1169182982.db2.gz	USMDMLFIESFMHN-LBPRGKRZSA-N	-1	0	308.338	0.355	20	30		DCEDRM
C=C[C@](C)(CCOC)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001602810318	1169185953	/nfs/dbraw/zinc/18/59/53/1169185953.db2.gz	XNDBZXAZXQROEH-IAQYHMDHSA-N	-1	0	315.366	0.938	20	30		DCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC001602815945	1169187050	/nfs/dbraw/zinc/18/70/50/1169187050.db2.gz	HDJXZZMKSUXYQE-ZETCQYMHSA-N	-1	0	321.376	0.934	20	30		DCEDRM
C=C[C@@H](COC)NC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001602817434	1169188593	/nfs/dbraw/zinc/18/85/93/1169188593.db2.gz	WUTKACCRHCJXEZ-UWVGGRQHSA-N	-1	0	308.338	0.916	20	30		DCEDRM
C=CC1CCN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1	ZINC001602828343	1169189806	/nfs/dbraw/zinc/18/98/06/1169189806.db2.gz	BUVYJGDEWNEFGT-VXGBXAGGSA-N	-1	0	310.350	0.017	20	30		DCEDRM
C=CCC[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC001602857257	1169193601	/nfs/dbraw/zinc/19/36/01/1169193601.db2.gz	OSZAINMSIXECNB-SNVBAGLBSA-N	-1	0	324.308	0.906	20	30		DCEDRM
C=CCCOCCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001602880784	1169198279	/nfs/dbraw/zinc/19/82/79/1169198279.db2.gz	DCYLHACXPHSYQH-UHFFFAOYSA-N	-1	0	312.366	0.455	20	30		DCEDRM
C=CCN1CC[C@H]([N@H+]2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)C1=O	ZINC001602898768	1169199707	/nfs/dbraw/zinc/19/97/07/1169199707.db2.gz	XUVQHBPSFOWKHR-QNGPIJNLSA-N	-1	0	322.361	0.271	20	30		DCEDRM
C=CCN1CC[C@@H](N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C1=O	ZINC001602897671	1169200588	/nfs/dbraw/zinc/20/05/88/1169200588.db2.gz	BZHAOEMPQVTPHC-CYBMUJFWSA-N	-1	0	323.393	0.028	20	30		DCEDRM
C=CCOCC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001602906706	1169201499	/nfs/dbraw/zinc/20/14/99/1169201499.db2.gz	KVHPRVZMGLSJCR-WDEREUQCSA-N	-1	0	310.350	0.065	20	30		DCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001602915689	1169204199	/nfs/dbraw/zinc/20/41/99/1169204199.db2.gz	RMFQCHFRPQUBAT-GFCCVEGCSA-N	-1	0	310.331	0.492	20	30		DCEDRM
C=CCOC[C@H](NCc1ccc(S(N)(=O)=O)s1)C(=O)[O-]	ZINC001602914762	1169204762	/nfs/dbraw/zinc/20/47/62/1169204762.db2.gz	CIMTZCLHQMGZDB-VIFPVBQESA-N	-1	0	320.392	0.141	20	30		DCEDRM
C=CCOC[C@H](NC(=O)c1cncc(N2CCCC2)n1)C(=O)[O-]	ZINC001602913566	1169205091	/nfs/dbraw/zinc/20/50/91/1169205091.db2.gz	VTFDQNIPUPYBAD-LBPRGKRZSA-N	-1	0	320.349	0.462	20	30		DCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001602945309	1169216673	/nfs/dbraw/zinc/21/66/73/1169216673.db2.gz	FZZSJPYOBSPXMO-NSHDSACASA-N	-1	0	303.380	0.325	20	30		DCEDRM
C[C@@H](C(=O)NCCc1cccc(C(=O)[O-])c1)n1cnc(C#N)n1	ZINC001603165856	1169263269	/nfs/dbraw/zinc/26/32/69/1169263269.db2.gz	FRTYKLYBHNYOGK-JTQLQIEISA-N	-1	0	313.317	0.768	20	30		DCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)c1cncc(-c2nn[nH]n2)c1	ZINC001603443829	1169305329	/nfs/dbraw/zinc/30/53/29/1169305329.db2.gz	ZTZNUXILZFYYNA-MRVPVSSYSA-N	-1	0	307.339	0.184	20	30		DCEDRM
CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])[C@H](C#N)C1	ZINC001603418635	1169305879	/nfs/dbraw/zinc/30/58/79/1169305879.db2.gz	TYUVLXBOGXAEGU-OUAUKWLOSA-N	-1	0	323.349	0.679	20	30		DCEDRM
CC(C)C#CC(=O)N1CC[C@H](N(C)c2ccnc(C(=O)[O-])n2)C1	ZINC001603699763	1169364708	/nfs/dbraw/zinc/36/47/08/1169364708.db2.gz	CBPBKBPUGMEISH-LBPRGKRZSA-N	-1	0	316.361	0.871	20	30		DCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(C(=O)[O-])cn1	ZINC001604059183	1169482458	/nfs/dbraw/zinc/48/24/58/1169482458.db2.gz	BDRAYUPFJWFDBA-VIFPVBQESA-N	-1	0	312.351	0.348	20	30		DCEDRM
C[C@@H](C#N)C(=O)N[C@@H](C)CCCNc1ccnc(C(=O)[O-])n1	ZINC001604132621	1169501593	/nfs/dbraw/zinc/50/15/93/1169501593.db2.gz	MYECUIBTEWMFRF-UWVGGRQHSA-N	-1	0	305.338	0.453	20	30		DCEDRM
C[C@H](CNC(=O)C#CC1CC1)CNc1ncc(C(=O)[O-])cn1	ZINC001604168154	1169511960	/nfs/dbraw/zinc/51/19/60/1169511960.db2.gz	GCHNBUOWNQOSPU-SNVBAGLBSA-N	-1	0	302.334	0.752	20	30		DCEDRM
C[C@H](CS(=O)(=O)N1CC(Oc2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001604207024	1169523935	/nfs/dbraw/zinc/52/39/35/1169523935.db2.gz	WKVCMURACLXUKJ-SNVBAGLBSA-N	-1	0	324.358	0.672	20	30		DCEDRM
C[C@](NC(=O)CCNC(=O)C1N=CC=CC1=O)(C(=O)[O-])C1CC1	ZINC001604269958	1169541408	/nfs/dbraw/zinc/54/14/08/1169541408.db2.gz	UDBOURPBQFXQGC-WIDZWVOGSA-N	-1	0	321.333	0.272	20	30		DCEDRM
C[C@]12CN(c3ccc(C(=O)[O-])nc3C#N)C[C@@]1(C)C(=O)NC2=O	ZINC001604605097	1169628409	/nfs/dbraw/zinc/62/84/09/1169628409.db2.gz	ARNXEYBJPRSXQM-GASCZTMLSA-N	-1	0	314.301	0.140	20	30		DCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCC[C@](C)(C#N)C1	ZINC001604625489	1169635509	/nfs/dbraw/zinc/63/55/09/1169635509.db2.gz	YKTDTGSOLUXNET-UEKVPHQBSA-N	-1	0	307.350	0.460	20	30		DCEDRM
C[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001604644595	1169642167	/nfs/dbraw/zinc/64/21/67/1169642167.db2.gz	NQQBIZWVZKXMOG-KOLCDFICSA-N	-1	0	324.358	0.648	20	30		DCEDRM
C[C@@H]1C[C@H](N2CCOCC2)CN1c1ccc(C(=O)[O-])nc1C#N	ZINC001604673238	1169650104	/nfs/dbraw/zinc/65/01/04/1169650104.db2.gz	UMLSSCKNHPAQDL-NEPJUHHUSA-N	-1	0	316.361	0.951	20	30		DCEDRM
CN(C[C@H]1CCC[C@@H]1O)c1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001604729648	1169664987	/nfs/dbraw/zinc/66/49/87/1169664987.db2.gz	YCXSONZLXFPOPX-SCZZXKLOSA-N	-1	0	300.326	0.126	20	30		DCEDRM
C[C@H]1OC(=O)N[C@@H]1C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001604830511	1169700313	/nfs/dbraw/zinc/70/03/13/1169700313.db2.gz	BKWVMZKBXHZTMU-HQJQHLMTSA-N	-1	0	304.258	0.797	20	30		DCEDRM
CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001605071679	1169807304	/nfs/dbraw/zinc/80/73/04/1169807304.db2.gz	ZGHHVNCTYVPXSE-YPMHNXCESA-N	-1	0	315.329	0.891	20	30		DCEDRM
CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001605448066	1169925265	/nfs/dbraw/zinc/92/52/65/1169925265.db2.gz	QNACZNHCKPTYME-WDEREUQCSA-N	-1	0	303.322	0.329	20	30		DCEDRM
CCc1nc(C#N)cc(N(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1	ZINC001605845112	1170011352	/nfs/dbraw/zinc/01/13/52/1170011352.db2.gz	ZJAVHVLBAFVUCZ-GHMZBOCLSA-N	-1	0	317.349	0.184	20	30		DCEDRM
CNC(=O)c1cncc(/C=C/C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001606292868	1170151778	/nfs/dbraw/zinc/15/17/78/1170151778.db2.gz	XYROJYUZOFLPGY-NSCUHMNNSA-N	-1	0	316.317	0.281	20	30		DCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(-c2nn[nH]n2)[nH]1	ZINC001606337000	1170162165	/nfs/dbraw/zinc/16/21/65/1170162165.db2.gz	OVOLTCMQYUTDRR-VIFPVBQESA-N	-1	0	313.321	0.576	20	30		DCEDRM
COC(=O)[C@]1(O)CCN(Cc2cccc(C(=O)[O-])c2C#N)C1	ZINC001606357766	1170169219	/nfs/dbraw/zinc/16/92/19/1170169219.db2.gz	RWWBJOYCYORLEJ-HNNXBMFYSA-N	-1	0	304.302	0.366	20	30		DCEDRM
N#Cc1ncc(N[C@H]2CCN(CC(F)F)C2)nc1-c1nnn[n-]1	ZINC001606398387	1170186128	/nfs/dbraw/zinc/18/61/28/1170186128.db2.gz	ZLKYENQONKWYDG-ZETCQYMHSA-N	-1	0	321.295	0.280	20	30		DCEDRM
COC(=O)[C@@H]1CN(C(=O)c2cccc(CC#N)c2)C[C@@H]1C(=O)[O-]	ZINC001606427143	1170196924	/nfs/dbraw/zinc/19/69/24/1170196924.db2.gz	WBXPETCZHKBHCM-QWHCGFSZSA-N	-1	0	316.313	0.698	20	30		DCEDRM
COC(=O)CN1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1	ZINC001606471261	1170216561	/nfs/dbraw/zinc/21/65/61/1170216561.db2.gz	AAKHXUGVUDVTIB-UHFFFAOYSA-N	-1	0	317.345	0.547	20	30		DCEDRM
COC(=O)c1coc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1	ZINC001606630321	1170247681	/nfs/dbraw/zinc/24/76/81/1170247681.db2.gz	GWZKKFQNFIZDAR-UHFFFAOYSA-N	-1	0	306.274	0.897	20	30		DCEDRM
COCCN(CC#N)S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001606881383	1170319201	/nfs/dbraw/zinc/31/92/01/1170319201.db2.gz	VLNCVTMJXBXMMR-UHFFFAOYSA-N	-1	0	302.308	0.447	20	30		DCEDRM
COC[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001606939158	1170335020	/nfs/dbraw/zinc/33/50/20/1170335020.db2.gz	QUYRHVDOSSYYDB-PHIMTYICSA-N	-1	0	324.358	0.960	20	30		DCEDRM
CON=Cc1ccc(C(=O)O[C@H](CC(=O)[O-])C(=O)OC)cc1	ZINC001606995788	1170348843	/nfs/dbraw/zinc/34/88/43/1170348843.db2.gz	BRGKNZWAAJEHEW-LLVKDONJSA-N	-1	0	309.274	0.840	20	30		DCEDRM
C[C@@H](O)[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC001607425291	1170449905	/nfs/dbraw/zinc/44/99/05/1170449905.db2.gz	DXZRNNTWQATSSW-XRGYYRRGSA-N	-1	0	317.223	0.536	20	30		DCEDRM
C[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@]1(C)C(=O)[O-]	ZINC001607478981	1170463620	/nfs/dbraw/zinc/46/36/20/1170463620.db2.gz	IXBDHTZMJZCOIC-ZANVPECISA-N	-1	0	309.347	0.685	20	30		DCEDRM
Cc1cc(C#N)cnc1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001607565808	1170477251	/nfs/dbraw/zinc/47/72/51/1170477251.db2.gz	HWBBCYMQUSSKIR-BLLLJJGKSA-N	-1	0	315.329	0.825	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1	ZINC001608172323	1170609001	/nfs/dbraw/zinc/60/90/01/1170609001.db2.gz	XUOUHXBKUDOOHK-JTQLQIEISA-N	-1	0	302.334	0.732	20	30		DCEDRM
N#CC1(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CCOCC1	ZINC001608172435	1170609147	/nfs/dbraw/zinc/60/91/47/1170609147.db2.gz	VAAZQFJMYNJDBY-SNVBAGLBSA-N	-1	0	312.322	0.029	20	30		DCEDRM
N#CC1(CNC(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1	ZINC001608175165	1170609201	/nfs/dbraw/zinc/60/92/01/1170609201.db2.gz	RHHNWJPVDVWGTH-UHFFFAOYSA-N	-1	0	317.301	0.508	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN([C@@H]2CCN(C3CCOCC3)C2=O)CC1	ZINC001608174618	1170609488	/nfs/dbraw/zinc/60/94/88/1170609488.db2.gz	TZBVRSQPBPCXHB-CYBMUJFWSA-N	-1	0	321.377	0.457	20	30		DCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1	ZINC001608171951	1170609678	/nfs/dbraw/zinc/60/96/78/1170609678.db2.gz	SYMSXGUNDIBJPW-UHFFFAOYSA-N	-1	0	324.381	0.109	20	30		DCEDRM
N#CC1(OCCOC(=O)C23CC(C(=O)[O-])(C2)C3)CCOCC1	ZINC001608177222	1170610210	/nfs/dbraw/zinc/61/02/10/1170610210.db2.gz	NVRWSBRIOSGTHX-UHFFFAOYSA-N	-1	0	309.318	0.874	20	30		DCEDRM
N#CC1(CC(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])CCOCC1	ZINC001608176486	1170610440	/nfs/dbraw/zinc/61/04/40/1170610440.db2.gz	ZNTSGZQULFQBTP-NEPJUHHUSA-N	-1	0	310.350	0.835	20	30		DCEDRM
N#C[C@]1(F)CCN(CC(=O)Nc2nc(CC(=O)[O-])cs2)C1	ZINC001608177264	1170610499	/nfs/dbraw/zinc/61/04/99/1170610499.db2.gz	PGJPGJRRSFKDFJ-GFCCVEGCSA-N	-1	0	312.326	0.646	20	30		DCEDRM
N#CC[C@@]1(O)CCN(S(=O)(=O)c2ccccc2C(=O)[O-])C1	ZINC001608181342	1170610506	/nfs/dbraw/zinc/61/05/06/1170610506.db2.gz	IPHRWKCFYQKPNA-CYBMUJFWSA-N	-1	0	310.331	0.424	20	30		DCEDRM
N#CC1(CS(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)CCCC1	ZINC001608176239	1170610974	/nfs/dbraw/zinc/61/09/74/1170610974.db2.gz	YMBIHAKDEQRVKB-LBPRGKRZSA-N	-1	0	318.420	0.950	20	30		DCEDRM
N#CCC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1	ZINC001608182358	1170611655	/nfs/dbraw/zinc/61/16/55/1170611655.db2.gz	ZRPBJGPZDQQPQP-UHFFFAOYSA-N	-1	0	320.710	0.280	20	30		DCEDRM
N#CCNC(=O)CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-]	ZINC001608188435	1170612446	/nfs/dbraw/zinc/61/24/46/1170612446.db2.gz	VQUJFGFKBDEXLK-UHFFFAOYSA-N	-1	0	314.301	0.165	20	30		DCEDRM
N#CCc1cccc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)c1	ZINC001608189485	1170613034	/nfs/dbraw/zinc/61/30/34/1170613034.db2.gz	VOYKYRQXNHRMBH-UHFFFAOYSA-N	-1	0	323.374	0.144	20	30		DCEDRM
N#CCN1CCC(NC(=O)Nc2ccc(C(=O)[O-])nn2)CC1	ZINC001608188203	1170613040	/nfs/dbraw/zinc/61/30/40/1170613040.db2.gz	QFJJYLZWPXSHTB-UHFFFAOYSA-N	-1	0	304.310	0.284	20	30		DCEDRM
N#CCNC(=O)CN1CCC(Cc2ncc(C(=O)[O-])s2)CC1	ZINC001608188662	1170613173	/nfs/dbraw/zinc/61/31/73/1170613173.db2.gz	ZVYXWUGRZUWCMG-UHFFFAOYSA-N	-1	0	322.390	0.736	20	30		DCEDRM
N#Cc1cc(NCCC(=O)NCCC(=O)[O-])c2ccccc2n1	ZINC001608197819	1170613853	/nfs/dbraw/zinc/61/38/53/1170613853.db2.gz	RDEALHPUEDASOG-UHFFFAOYSA-N	-1	0	312.329	0.921	20	30		DCEDRM
N#Cc1ccc([C@H]2CN(Cn3cc(C(=O)[O-])nn3)CCO2)cc1	ZINC001608203752	1170614585	/nfs/dbraw/zinc/61/45/85/1170614585.db2.gz	IFHYMGPDMKXTEH-CQSZACIVSA-N	-1	0	313.317	0.879	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](C#N)C2)c(C(=O)[O-])c1	ZINC001608210694	1170616394	/nfs/dbraw/zinc/61/63/94/1170616394.db2.gz	PZYRJLIQBWTAPG-JTQLQIEISA-N	-1	0	321.314	0.170	20	30		DCEDRM
N#Cc1cccc(N2CCN(Cc3oncc3C(=O)[O-])CC2)n1	ZINC001608217012	1170617272	/nfs/dbraw/zinc/61/72/72/1170617272.db2.gz	GSBYQCQRDSCYSP-UHFFFAOYSA-N	-1	0	313.317	0.962	20	30		DCEDRM
N#Cc1cnccc1N[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001608222522	1170618257	/nfs/dbraw/zinc/61/82/57/1170618257.db2.gz	TUEQZYZBMIHERI-XYJRDEOASA-N	-1	0	314.345	0.403	20	30		DCEDRM
N#Cc1csc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])c1	ZINC001608221955	1170618538	/nfs/dbraw/zinc/61/85/38/1170618538.db2.gz	CFHIHCXKMXBFKI-SECBINFHSA-N	-1	0	310.331	0.956	20	30		DCEDRM
O=C([O-])[C@H]1CCC[C@H]1NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC001608310602	1170646625	/nfs/dbraw/zinc/64/66/25/1170646625.db2.gz	OIPGLYBPVKXVCI-CMRWEHHFSA-N	-1	0	321.333	0.272	20	30		DCEDRM
O=C([O-])c1csc(C=NNC2CCS(=O)(=O)CC2)c1	ZINC001608991049	1170781758	/nfs/dbraw/zinc/78/17/58/1170781758.db2.gz	BODAKYJIXUJPLM-UHFFFAOYSA-N	-1	0	302.377	0.947	20	30		DCEDRM
C#C[C@@H](C)N(C)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC001609018907	1170785724	/nfs/dbraw/zinc/78/57/24/1170785724.db2.gz	IYMUHUVTMZVYJC-LLVKDONJSA-N	-1	0	319.390	0.594	20	30		DCEDRM
C#C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)[C@@H]1CCCO1	ZINC001609058310	1170794860	/nfs/dbraw/zinc/79/48/60/1170794860.db2.gz	WBDAUTPYQVZYJZ-RYUDHWBXSA-N	-1	0	315.391	0.732	20	30		DCEDRM
C[C@H](C#N)CNN=C1CCCc2c1c[nH]c(=O)c2-c1nnn[n-]1	ZINC001609067790	1170797118	/nfs/dbraw/zinc/79/71/18/1170797118.db2.gz	GFTBMDGRHWFBNT-MRVPVSSYSA-N	-1	0	312.337	0.757	20	30		DCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-]	ZINC001609442689	1170978941	/nfs/dbraw/zinc/97/89/41/1170978941.db2.gz	BAPFXRAFUACBKB-GFCCVEGCSA-N	-1	0	317.305	0.048	20	30		DCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2c(Cl)nc(N)n2C)o1	ZINC001609446252	1170980216	/nfs/dbraw/zinc/98/02/16/1170980216.db2.gz	SUWXQZZDICNDJI-UHFFFAOYSA-N	-1	0	322.720	0.578	20	30		DCEDRM
C[C@@H](OC(=O)c1ccc(Cl)c(C#N)c1)C(=O)NCC(=O)[O-]	ZINC001609798443	1171088933	/nfs/dbraw/zinc/08/89/33/1171088933.db2.gz	NYGYAMNPQBEYFD-SSDOTTSWSA-N	-1	0	310.693	0.958	20	30		DCEDRM
CCN(C[C@H](C)C#N)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O	ZINC001609993182	1171132333	/nfs/dbraw/zinc/13/23/33/1171132333.db2.gz	IWCWSNMVRBUBEP-YGRLFVJLSA-N	-1	0	310.354	0.601	20	30		DCEDRM
CCN(CCC#N)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001610000092	1171132969	/nfs/dbraw/zinc/13/29/69/1171132969.db2.gz	INPNBGXCKHEUBL-UHFFFAOYSA-N	-1	0	319.317	0.851	20	30		DCEDRM
CN([C@]1(C#N)CCOC1)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC001610106630	1171158059	/nfs/dbraw/zinc/15/80/59/1171158059.db2.gz	BVDKPYWQSPLQCH-NSHDSACASA-N	-1	0	300.292	0.281	20	30		DCEDRM
CN1C[C@H](C(=O)OCc2cccc(C(=O)[O-])c2C#N)CC1=O	ZINC001610131677	1171165692	/nfs/dbraw/zinc/16/56/92/1171165692.db2.gz	CLIIXGUGJRVABS-SNVBAGLBSA-N	-1	0	302.286	0.778	20	30		DCEDRM
COC(=O)[C@@H](OC(=O)COCC(=O)[O-])c1cccc(C#N)c1	ZINC001610155671	1171180859	/nfs/dbraw/zinc/18/08/59/1171180859.db2.gz	NSNBHXWQVMCWKX-ZDUSSCGKSA-N	-1	0	307.258	0.417	20	30		DCEDRM
COC(=O)[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCO1	ZINC001610178674	1171188123	/nfs/dbraw/zinc/18/81/23/1171188123.db2.gz	NCWGSXKVNQEPDB-CYBMUJFWSA-N	-1	0	304.302	0.630	20	30		DCEDRM
COc1ccc([C@H](NC(=O)CSCC#N)C(=O)[O-])cc1O	ZINC001610321627	1171219021	/nfs/dbraw/zinc/21/90/21/1171219021.db2.gz	LRHPRWLZUKTHFH-LBPRGKRZSA-N	-1	0	310.331	0.899	20	30		DCEDRM
Cc1cc(CN(CC#N)S(=O)(=O)N(C)C)oc1C(=O)[O-]	ZINC001610460287	1171238570	/nfs/dbraw/zinc/23/85/70/1171238570.db2.gz	PABMVDZTSDYNCK-UHFFFAOYSA-N	-1	0	301.324	0.418	20	30		DCEDRM
N#C[C@@]1(F)CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1	ZINC001610620661	1171262342	/nfs/dbraw/zinc/26/23/42/1171262342.db2.gz	RMCXKUNBOWFQCC-VIFPVBQESA-N	-1	0	305.312	0.468	20	30		DCEDRM
N#CC1(CC(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1	ZINC001610620134	1171270114	/nfs/dbraw/zinc/27/01/14/1171270114.db2.gz	XWTNRDVIGNSVIY-SNVBAGLBSA-N	-1	0	303.322	0.834	20	30		DCEDRM
N#CCC1(O)CN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C1	ZINC001610620394	1171270708	/nfs/dbraw/zinc/27/07/08/1171270708.db2.gz	FPSZZQHVCXOCNT-LBPRGKRZSA-N	-1	0	306.318	0.085	20	30		DCEDRM
N#CCc1ccc(CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1	ZINC001610624331	1171271035	/nfs/dbraw/zinc/27/10/35/1171271035.db2.gz	LVQLJGVMKGJLLY-BETUJISGSA-N	-1	0	315.329	0.348	20	30		DCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001610621080	1171271478	/nfs/dbraw/zinc/27/14/78/1171271478.db2.gz	VGAYZLVRDKXVSJ-OUAUKWLOSA-N	-1	0	302.352	0.184	20	30		DCEDRM
N#CCN1CCC(NS(=O)(=O)CC2(C(=O)[O-])CCC2)CC1	ZINC001610622797	1171271506	/nfs/dbraw/zinc/27/15/06/1171271506.db2.gz	IFSUCOQWHRFSLN-UHFFFAOYSA-N	-1	0	315.395	0.149	20	30		DCEDRM
N#Cc1ccc(CNC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)nc1	ZINC001610628093	1171272247	/nfs/dbraw/zinc/27/22/47/1171272247.db2.gz	OHQPWWFGOQJCCV-ZDUSSCGKSA-N	-1	0	318.333	0.320	20	30		DCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1	ZINC001610627475	1171272735	/nfs/dbraw/zinc/27/27/35/1171272735.db2.gz	IOBCMDDFOURBLU-AGIUHOORSA-N	-1	0	304.302	0.028	20	30		DCEDRM
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])nc1	ZINC001610628563	1171273067	/nfs/dbraw/zinc/27/30/67/1171273067.db2.gz	JZBDALJDRCXLSV-ZJUUUORDSA-N	-1	0	302.290	0.261	20	30		DCEDRM
N#Cc1ccncc1C(=O)OCc1noc(CCC(=O)[O-])n1	ZINC001610633358	1171274206	/nfs/dbraw/zinc/27/42/06/1171274206.db2.gz	IBXVBNJODQBOEQ-UHFFFAOYSA-N	-1	0	302.246	0.710	20	30		DCEDRM
NC(=O)CNC(=S)NN=C1CCC[C@@H](CCCC(=O)[O-])C1	ZINC001610637714	1171274764	/nfs/dbraw/zinc/27/47/64/1171274764.db2.gz	KHXABXVPPFSVPP-VIFPVBQESA-N	-1	0	314.411	0.737	20	30		DCEDRM
Cc1ccc2nc(CNc3[n-]c(=O)n(C)c(=O)c3C#N)cn2c1	ZINC001612366106	1171362245	/nfs/dbraw/zinc/36/22/45/1171362245.db2.gz	YPXXZHIJRYIPLL-UHFFFAOYSA-N	-1	0	310.317	0.514	20	30		DCEDRM
C=C(C)C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OCC	ZINC001612826869	1171365005	/nfs/dbraw/zinc/36/50/05/1171365005.db2.gz	AULHAVGRFQTEIF-JTQLQIEISA-N	-1	0	306.322	0.255	20	30		DCEDRM
N#Cc1cn(C2CN(C(=O)N[C@@H]3CC=CCC3)C2)c(=O)[n-]c1=O	ZINC001631983036	1171607555	/nfs/dbraw/zinc/60/75/55/1171607555.db2.gz	WNIPAKDKICTUSM-LLVKDONJSA-N	-1	0	315.333	0.496	20	30		DCEDRM
C=C(C)C[C@H](CO)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC001633179498	1171635593	/nfs/dbraw/zinc/63/55/93/1171635593.db2.gz	MBABUDWORXNQNG-LLVKDONJSA-N	-1	0	313.379	0.510	20	30		DCEDRM
C=C(C)CONC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001640656327	1171887953	/nfs/dbraw/zinc/88/79/53/1171887953.db2.gz	MMRNCQQLJVFWKR-UHFFFAOYSA-N	-1	0	303.322	0.810	20	30		DCEDRM
Cc1c(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)cnn1CCC#N	ZINC001641849672	1171930711	/nfs/dbraw/zinc/93/07/11/1171930711.db2.gz	RWVWUQHEYNRUCV-SECBINFHSA-N	-1	0	304.310	0.033	20	30		DCEDRM
C=CCN1CC(N(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	ZINC001671201552	1171935331	/nfs/dbraw/zinc/93/53/31/1171935331.db2.gz	AZOHXFBKJPXAAW-UHFFFAOYSA-N	-1	0	307.316	0.772	20	30		DCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1nnc2ccccn21	ZINC001642043170	1171936518	/nfs/dbraw/zinc/93/65/18/1171936518.db2.gz	KLRILHFYRDQXLZ-MRVPVSSYSA-N	-1	0	311.305	0.161	20	30		DCEDRM
C=CCn1cc(C(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)nn1	ZINC001643470119	1171976837	/nfs/dbraw/zinc/97/68/37/1171976837.db2.gz	CSCLXLFXVANLME-SECBINFHSA-N	-1	0	306.326	0.658	20	30		DCEDRM
N#Cc1c[n-]c(=O)n(Cc2ccn(CCc3ccccc3)n2)c1=O	ZINC001644021690	1171994238	/nfs/dbraw/zinc/99/42/38/1171994238.db2.gz	FAYHGLAGDBXRTC-UHFFFAOYSA-N	-1	0	321.340	0.896	20	30		DCEDRM
N#Cc1cn(CCNC(=O)c2cccc3[nH]ccc32)c(=O)[n-]c1=O	ZINC001646148467	1172272873	/nfs/dbraw/zinc/27/28/73/1172272873.db2.gz	UENVDFQCXGRGJN-UHFFFAOYSA-N	-1	0	323.312	0.732	20	30		DCEDRM
Cn1c(=O)[n-]c(N2CCC[C@H](C3CCOCC3)C2)c(C#N)c1=O	ZINC001646636208	1172451039	/nfs/dbraw/zinc/45/10/39/1172451039.db2.gz	JERZGLVWLADZHM-LBPRGKRZSA-N	-1	0	318.377	0.588	20	30		DCEDRM
Cc1[n-]n(-c2ccc(S(N)(=O)=O)cc2)c(=O)c1CCC#N	ZINC001647072478	1172658421	/nfs/dbraw/zinc/65/84/21/1172658421.db2.gz	HHAQHROAOYHTOY-LBPRGKRZSA-N	-1	0	306.347	0.976	20	30		DCEDRM
N#Cc1ccc(S(=O)(=O)NCc2nc(=O)o[n-]2)c(Cl)c1	ZINC001647201337	1172737384	/nfs/dbraw/zinc/73/73/84/1172737384.db2.gz	RJBCTFDAQZPXFW-UHFFFAOYSA-N	-1	0	314.710	0.366	20	30		DCEDRM
COc1c(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)c(C)nn1C	ZINC001649880422	1173278860	/nfs/dbraw/zinc/27/88/60/1173278860.db2.gz	JGFKTUMGPGVDGL-ZETCQYMHSA-N	-1	0	300.340	0.092	20	30		DCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@@H](CCO)C(F)(F)F	ZINC001649985970	1173360987	/nfs/dbraw/zinc/36/09/87/1173360987.db2.gz	FPDDKIVPWDWNMW-BDAKNGLRSA-N	-1	0	317.333	0.616	20	30		DCEDRM
C[C@@H]1c2ccccc2OCCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001650225726	1173523581	/nfs/dbraw/zinc/52/35/81/1173523581.db2.gz	FRLIINXBYATLCV-SNVBAGLBSA-N	-1	0	312.329	0.905	20	30		DCEDRM
COCc1csc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001650229011	1173525232	/nfs/dbraw/zinc/52/52/32/1173525232.db2.gz	LISKISSEZPJUGR-UHFFFAOYSA-N	-1	0	306.347	0.765	20	30		DCEDRM
CN(Cc1ccc(C#N)cc1)c1nnc(-c2cc(=O)[nH][n-]2)n1C	ZINC001650275131	1173543226	/nfs/dbraw/zinc/54/32/26/1173543226.db2.gz	PJOJIQZGWPETMI-UHFFFAOYSA-N	-1	0	309.333	0.547	20	30		DCEDRM
O=C(CCCn1c(=O)[n-][nH]c1=O)NCC#C[C@H]1CCCCO1	ZINC001653543922	1173790444	/nfs/dbraw/zinc/79/04/44/1173790444.db2.gz	HHHIEOZNCVGNRA-LLVKDONJSA-N	-1	0	308.338	0.158	20	30		DCEDRM
Cc1nc([C@H](NS(=O)(=O)CCCC#N)c2cnn(C)c2)no1	ZINC001655461532	1173820838	/nfs/dbraw/zinc/82/08/38/1173820838.db2.gz	CSFBORQACJEIRZ-LLVKDONJSA-N	-1	0	324.366	0.424	20	30		DCEDRM
C=C(C)CCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001666703587	1174627201	/nfs/dbraw/zinc/62/72/01/1174627201.db2.gz	HGGAUEBTSRWMJO-LLVKDONJSA-N	-1	0	309.370	0.184	20	30		DCEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001666712591	1174628555	/nfs/dbraw/zinc/62/85/55/1174628555.db2.gz	ANFFHZRXUSNNAT-LLVKDONJSA-N	-1	0	323.397	0.430	20	30		DCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@@H](C)C2CN(CC#N)C2)cc1=O	ZINC001675322650	1175346611	/nfs/dbraw/zinc/34/66/11/1175346611.db2.gz	MVKQNWLCVUXGRB-LBPRGKRZSA-N	-1	0	319.409	0.335	20	30		DCEDRM
N#CCNC[C@@H]1CC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001676965118	1175507333	/nfs/dbraw/zinc/50/73/33/1175507333.db2.gz	KQUWWTWLNKMFDV-NXEZZACHSA-N	-1	0	315.333	0.940	20	30		DCEDRM
Cc1nc(C)c(CC(=O)NCCNC(=O)C#CC(C)C)c(=O)[nH]1	ZINC001686583468	1176165174	/nfs/dbraw/zinc/16/51/74/1176165174.db2.gz	FPWDRDQHMQHWAR-UHFFFAOYSA-N	-1	0	318.377	0.233	20	30		DCEDRM
C=CCO[C@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001688018395	1176334648	/nfs/dbraw/zinc/33/46/48/1176334648.db2.gz	SBSUSHRRDHMLRS-GMTAPVOTSA-N	-1	0	322.365	0.392	20	30		DCEDRM
C=CCOCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001700108495	1178478373	/nfs/dbraw/zinc/47/83/73/1178478373.db2.gz	PWWATSROKDDFRT-UHFFFAOYSA-N	-1	0	321.381	0.137	20	30		DCEDRM
C=CCOCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001725633609	1184921120	/nfs/dbraw/zinc/92/11/20/1184921120.db2.gz	FABXVOHSGRZTCZ-MNOVXSKESA-N	-1	0	309.370	0.182	20	30		DCEDRM
C=CCOCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C	ZINC001725633611	1184921570	/nfs/dbraw/zinc/92/15/70/1184921570.db2.gz	FABXVOHSGRZTCZ-WDEREUQCSA-N	-1	0	309.370	0.182	20	30		DCEDRM
C#CCCCC(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001731496036	1185360754	/nfs/dbraw/zinc/36/07/54/1185360754.db2.gz	BDLUGHLZADRZCW-LBPRGKRZSA-N	-1	0	305.382	0.642	20	30		DCEDRM
C#CCCCCC(=O)N[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001737449829	1187338294	/nfs/dbraw/zinc/33/82/94/1187338294.db2.gz	RIRTVNQOBSMCBC-HAQNSBGRSA-N	-1	0	318.377	0.994	20	30		DCEDRM
C=CCOCC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H]1C	ZINC001738919891	1187698964	/nfs/dbraw/zinc/69/89/64/1187698964.db2.gz	IYUAQAZBRCTMLT-WDEREUQCSA-N	-1	0	322.365	0.346	20	30		DCEDRM